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+](CC)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003269 700221586 /nfs/dbraw/zinc/22/15/86/700221586.db2.gz WYWCTIUUEKDEIK-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000177488724 705624798 /nfs/dbraw/zinc/62/47/98/705624798.db2.gz UQMRLHPXKZXKFF-QAPCUYQASA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000182694183 705857107 /nfs/dbraw/zinc/85/71/07/705857107.db2.gz DJKSSFGODVOSEV-QZTJIDSGSA-N 2 1 353.551 3.486 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(OC)c2F)CC1 ZINC000192957947 712879191 /nfs/dbraw/zinc/87/91/91/712879191.db2.gz RFQPYJMHZSELHA-UHFFFAOYSA-N 2 1 352.494 3.405 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000236591069 713581478 /nfs/dbraw/zinc/58/14/78/713581478.db2.gz JFIWIQHMDBENMR-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245905433 713613548 /nfs/dbraw/zinc/61/35/48/713613548.db2.gz FETORUJUQIYBKW-KURKYZTESA-N 2 1 353.551 3.391 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457527 713641077 /nfs/dbraw/zinc/64/10/77/713641077.db2.gz IAIHEOBLDRJSEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457527 713641081 /nfs/dbraw/zinc/64/10/81/713641081.db2.gz IAIHEOBLDRJSEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457527 713641082 /nfs/dbraw/zinc/64/10/82/713641082.db2.gz IAIHEOBLDRJSEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457527 713641086 /nfs/dbraw/zinc/64/10/86/713641086.db2.gz IAIHEOBLDRJSEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248388469 713648444 /nfs/dbraw/zinc/64/84/44/713648444.db2.gz RDIPJGUFBXWZQJ-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248388469 713648448 /nfs/dbraw/zinc/64/84/48/713648448.db2.gz RDIPJGUFBXWZQJ-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000261786942 713714236 /nfs/dbraw/zinc/71/42/36/713714236.db2.gz HUTLIRYEDRDRPH-ZIAGYGMSSA-N 2 1 357.420 3.354 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(OC)c1 ZINC000262097088 713718840 /nfs/dbraw/zinc/71/88/40/713718840.db2.gz VHEHKLBVPYPKTA-UHFFFAOYSA-N 2 1 369.303 3.042 20 0 FGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000641803211 717931043 /nfs/dbraw/zinc/93/10/43/717931043.db2.gz BOOWFKUYVITSFL-RYUDHWBXSA-N 2 1 350.677 3.301 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561487 713985149 /nfs/dbraw/zinc/98/51/49/713985149.db2.gz JFBXWUNDEMNZHH-RCCFBDPRSA-N 2 1 353.551 3.484 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000521868710 714153211 /nfs/dbraw/zinc/15/32/11/714153211.db2.gz KYUSMDOLOIZUML-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@H]1CCCOC1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868710 714153215 /nfs/dbraw/zinc/15/32/15/714153215.db2.gz KYUSMDOLOIZUML-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868710 714153221 /nfs/dbraw/zinc/15/32/21/714153221.db2.gz KYUSMDOLOIZUML-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c2ccccc2S1 ZINC000524369984 714280517 /nfs/dbraw/zinc/28/05/17/714280517.db2.gz QQRVTCGPZSDQMW-MRXNPFEDSA-N 2 1 361.555 3.178 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)c2cccs2)CC1 ZINC000531678152 714425765 /nfs/dbraw/zinc/42/57/65/714425765.db2.gz CYVGCDNUMOJALY-MOPGFXCFSA-N 2 1 359.514 3.453 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824543 714498585 /nfs/dbraw/zinc/49/85/85/714498585.db2.gz MIOXQYILOUEKCK-HKUYNNGSSA-N 2 1 362.514 3.292 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824543 714498588 /nfs/dbraw/zinc/49/85/88/714498588.db2.gz MIOXQYILOUEKCK-HKUYNNGSSA-N 2 1 362.514 3.292 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(F)ccc2s1 ZINC000617503932 714662764 /nfs/dbraw/zinc/66/27/64/714662764.db2.gz BFNYHGQDULYPJU-ZDUSSCGKSA-N 2 1 351.491 3.042 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(F)ccc2s1 ZINC000617503932 714662767 /nfs/dbraw/zinc/66/27/67/714662767.db2.gz BFNYHGQDULYPJU-ZDUSSCGKSA-N 2 1 351.491 3.042 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000643064127 718003600 /nfs/dbraw/zinc/00/36/00/718003600.db2.gz MBGCEWUTYLAMJZ-RHSMWYFYSA-N 2 1 365.905 3.141 20 0 FGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc(C(F)(F)F)c1 ZINC000623412436 715330433 /nfs/dbraw/zinc/33/04/33/715330433.db2.gz KXBICXMPJJAKAZ-INIZCTEOSA-N 2 1 360.420 3.041 20 0 FGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000623657589 715380911 /nfs/dbraw/zinc/38/09/11/715380911.db2.gz VBXJWEWRLAMNHU-CYBMUJFWSA-N 2 1 353.304 3.206 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000623657589 715380920 /nfs/dbraw/zinc/38/09/20/715380920.db2.gz VBXJWEWRLAMNHU-CYBMUJFWSA-N 2 1 353.304 3.206 20 0 FGADMP Fc1cc2[nH]cc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c2cc1Cl ZINC000624291282 715505579 /nfs/dbraw/zinc/50/55/79/715505579.db2.gz OYHIZSSHRPTXLM-HNNXBMFYSA-N 2 1 365.880 3.346 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000631838528 716687882 /nfs/dbraw/zinc/68/78/82/716687882.db2.gz PWGGFTKSAUQYKJ-VXGBXAGGSA-N 2 1 350.260 3.131 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C[C@H]1C[NH3+] ZINC000631838528 716687887 /nfs/dbraw/zinc/68/78/87/716687887.db2.gz PWGGFTKSAUQYKJ-VXGBXAGGSA-N 2 1 350.260 3.131 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)CC[N@H+]1C ZINC000632937719 716846116 /nfs/dbraw/zinc/84/61/16/716846116.db2.gz JZKHTKHHUHGGGI-NZSAHSFTSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC[NH+]1C ZINC000632937719 716846120 /nfs/dbraw/zinc/84/61/20/716846120.db2.gz JZKHTKHHUHGGGI-NZSAHSFTSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC[NH+]1C ZINC000632937719 716846125 /nfs/dbraw/zinc/84/61/25/716846125.db2.gz JZKHTKHHUHGGGI-NZSAHSFTSA-N 2 1 363.571 3.067 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295906 717431626 /nfs/dbraw/zinc/43/16/26/717431626.db2.gz YMFSDIGBBMWGLR-IEBWSBKVSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295906 717431628 /nfs/dbraw/zinc/43/16/28/717431628.db2.gz YMFSDIGBBMWGLR-IEBWSBKVSA-N 2 1 367.896 3.119 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000638748096 717481971 /nfs/dbraw/zinc/48/19/71/717481971.db2.gz HMLWDTWFKVSUFA-JKSUJKDBSA-N 2 1 358.313 3.043 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524198 718118547 /nfs/dbraw/zinc/11/85/47/718118547.db2.gz ZSHOCIRBABDEHA-HOCLYGCPSA-N 2 1 355.404 3.250 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000644525385 718119061 /nfs/dbraw/zinc/11/90/61/718119061.db2.gz CPQFTRPPWDRXAQ-JSGCOSHPSA-N 2 1 372.296 3.164 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000645339367 718203719 /nfs/dbraw/zinc/20/37/19/718203719.db2.gz PXBTYXYDUACRNY-ROUUACIJSA-N 2 1 366.937 3.068 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976222 718391277 /nfs/dbraw/zinc/39/12/77/718391277.db2.gz LRESLCGWAJOMDU-KGLIPLIRSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976222 718391278 /nfs/dbraw/zinc/39/12/78/718391278.db2.gz LRESLCGWAJOMDU-KGLIPLIRSA-N 2 1 360.889 3.200 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278912 718500911 /nfs/dbraw/zinc/50/09/11/718500911.db2.gz MVCMHFQBNAGXBL-WBVHZDCISA-N 2 1 363.914 3.355 20 0 FGADMP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299287 718502303 /nfs/dbraw/zinc/50/23/03/718502303.db2.gz FMWJLOSMPDQWLW-MOPGFXCFSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299287 718502305 /nfs/dbraw/zinc/50/23/05/718502305.db2.gz FMWJLOSMPDQWLW-MOPGFXCFSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705738 718716872 /nfs/dbraw/zinc/71/68/72/718716872.db2.gz UGWWFEUQURYYJI-CKEIUWERSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708445 718718010 /nfs/dbraw/zinc/71/80/10/718718010.db2.gz ZPVVGPRVOSLIFC-OGHNNQOOSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2Br)C1 ZINC000650722434 718719855 /nfs/dbraw/zinc/71/98/55/718719855.db2.gz SQASEWZQIYVYGL-PVAVHDDUSA-N 2 1 353.304 3.310 20 0 FGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723450 718720703 /nfs/dbraw/zinc/72/07/03/718720703.db2.gz NTUWPZYEXQMGPI-ZTFGCOKTSA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725292 718721053 /nfs/dbraw/zinc/72/10/53/718721053.db2.gz XQGSKZXEDANDLL-IJEWVQPXSA-N 2 1 369.303 3.016 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348159 718934885 /nfs/dbraw/zinc/93/48/85/718934885.db2.gz WCZIDYVORULGJF-WDYCEAGBSA-N 2 1 352.906 3.327 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348703 718935260 /nfs/dbraw/zinc/93/52/60/718935260.db2.gz NXCDHTVYXOISMI-KBRIMQKVSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363928 718937371 /nfs/dbraw/zinc/93/73/71/718937371.db2.gz SISDMMOWIGOMPT-XWIAVFTESA-N 2 1 356.869 3.219 20 0 FGADMP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3[NH2+]Cc4ccccc4[C@@H]3C2)n1 ZINC001164424309 718943675 /nfs/dbraw/zinc/94/36/75/718943675.db2.gz NWBAFANBOQMBAD-OALUTQOASA-N 2 1 368.912 3.406 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000653119729 719014118 /nfs/dbraw/zinc/01/41/18/719014118.db2.gz UNVJCYZZALNTBR-HKUYNNGSSA-N 2 1 363.933 3.200 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000653119729 719014122 /nfs/dbraw/zinc/01/41/22/719014122.db2.gz UNVJCYZZALNTBR-HKUYNNGSSA-N 2 1 363.933 3.200 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ncnc1-2 ZINC001164628841 719085918 /nfs/dbraw/zinc/08/59/18/719085918.db2.gz OZGWKNYTTLVPFQ-CABCVRRESA-N 2 1 368.872 3.107 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ncnc1-2 ZINC001164628841 719085922 /nfs/dbraw/zinc/08/59/22/719085922.db2.gz OZGWKNYTTLVPFQ-CABCVRRESA-N 2 1 368.872 3.107 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)SC2)c1 ZINC000655707772 719327970 /nfs/dbraw/zinc/32/79/70/719327970.db2.gz CNPPQEKZZBYPKV-FUHWJXTLSA-N 2 1 352.544 3.017 20 0 FGADMP FC(F)COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655724868 719330153 /nfs/dbraw/zinc/33/01/53/719330153.db2.gz IUSYPMSGCGOFCB-SFHVURJKSA-N 2 1 354.441 3.064 20 0 FGADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655733978 719331757 /nfs/dbraw/zinc/33/17/57/719331757.db2.gz WHIDSAVVVGNCQS-VQIMIIECSA-N 2 1 352.906 3.261 20 0 FGADMP CCOc1ccc(Cl)cc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736567 719331979 /nfs/dbraw/zinc/33/19/79/719331979.db2.gz HOXJRDWVUNMJAX-SFHVURJKSA-N 2 1 352.906 3.124 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cccnc2Cl)c2c1CC[NH2+]C2 ZINC001164684260 719603155 /nfs/dbraw/zinc/60/31/55/719603155.db2.gz NZASSVOUJXMZIR-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cccnc2Cl)c2c1CC[NH2+]C2 ZINC001164684260 719603164 /nfs/dbraw/zinc/60/31/64/719603164.db2.gz NZASSVOUJXMZIR-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452287 719652976 /nfs/dbraw/zinc/65/29/76/719652976.db2.gz DTVUAUDBMYEQNS-HNNXBMFYSA-N 2 1 352.404 3.051 20 0 FGADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452287 719652978 /nfs/dbraw/zinc/65/29/78/719652978.db2.gz DTVUAUDBMYEQNS-HNNXBMFYSA-N 2 1 352.404 3.051 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658169996 719765731 /nfs/dbraw/zinc/76/57/31/719765731.db2.gz OOVAWVYWZAEWDV-MKXGPGLRSA-N 2 1 350.453 3.443 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)c1cccc(Cl)c1Cl ZINC000659315837 719895788 /nfs/dbraw/zinc/89/57/88/719895788.db2.gz WDUQJSFBVNPXJR-PVUWLOKVSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1cccc(Cl)c1Cl ZINC000659315837 719895792 /nfs/dbraw/zinc/89/57/92/719895792.db2.gz WDUQJSFBVNPXJR-PVUWLOKVSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1cccc(Cl)c1Cl ZINC000659321823 719897848 /nfs/dbraw/zinc/89/78/48/719897848.db2.gz FPSFEUYXKYZXTJ-INIZCTEOSA-N 2 1 370.324 3.246 20 0 FGADMP C[C@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660155207 719998604 /nfs/dbraw/zinc/99/86/04/719998604.db2.gz MMYHILCRGXOSGZ-YJBOKZPZSA-N 2 1 369.525 3.015 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660155207 719998607 /nfs/dbraw/zinc/99/86/07/719998607.db2.gz MMYHILCRGXOSGZ-YJBOKZPZSA-N 2 1 369.525 3.015 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660654138 720090997 /nfs/dbraw/zinc/09/09/97/720090997.db2.gz DMBWYCXADFABJI-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660654138 720091001 /nfs/dbraw/zinc/09/10/01/720091001.db2.gz DMBWYCXADFABJI-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)C1 ZINC000662280255 720408955 /nfs/dbraw/zinc/40/89/55/720408955.db2.gz BRSMBNYCVHCFSI-WBVHZDCISA-N 2 1 358.404 3.145 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298690 720411954 /nfs/dbraw/zinc/41/19/54/720411954.db2.gz WUZRWQBVFGMARQ-YJBOKZPZSA-N 2 1 363.933 3.056 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298742 720412028 /nfs/dbraw/zinc/41/20/28/720412028.db2.gz XKHGDKVWCZJHSN-QAPCUYQASA-N 2 1 363.933 3.056 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000662425838 720426908 /nfs/dbraw/zinc/42/69/08/720426908.db2.gz JGLCWGCSENMKDU-SJORKVTESA-N 2 1 351.560 3.087 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422044 720427104 /nfs/dbraw/zinc/42/71/04/720427104.db2.gz ZBELNANQUQDOLH-WBMJQRKESA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422044 720427105 /nfs/dbraw/zinc/42/71/05/720427105.db2.gz ZBELNANQUQDOLH-WBMJQRKESA-N 2 1 358.313 3.100 20 0 FGADMP [NH3+]C1(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC2(CCC2)C1 ZINC000662671651 720451481 /nfs/dbraw/zinc/45/14/81/720451481.db2.gz POUDGKZQEQHRKB-UHFFFAOYSA-N 2 1 361.917 3.036 20 0 FGADMP [NH3+]C1(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC2(CCC2)C1 ZINC000662671651 720451485 /nfs/dbraw/zinc/45/14/85/720451485.db2.gz POUDGKZQEQHRKB-UHFFFAOYSA-N 2 1 361.917 3.036 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662704279 720453241 /nfs/dbraw/zinc/45/32/41/720453241.db2.gz YGTYANYDRNXLDW-BDJLRTHQSA-N 2 1 358.313 3.100 20 0 FGADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344137 720503210 /nfs/dbraw/zinc/50/32/10/720503210.db2.gz OUXSTXTXCRUQOD-HNNXBMFYSA-N 2 1 352.320 3.364 20 0 FGADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344137 720503212 /nfs/dbraw/zinc/50/32/12/720503212.db2.gz OUXSTXTXCRUQOD-HNNXBMFYSA-N 2 1 352.320 3.364 20 0 FGADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(SCC(F)(F)F)cc1 ZINC000665292275 720751290 /nfs/dbraw/zinc/75/12/90/720751290.db2.gz XVENSWHYXDNHLZ-SNVBAGLBSA-N 2 1 372.416 3.146 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000666827345 720985440 /nfs/dbraw/zinc/98/54/40/720985440.db2.gz TXJVQRFFAIVWPH-AWEZNQCLSA-N 2 1 356.461 3.192 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(C(C)(F)F)c1 ZINC000666827345 720985442 /nfs/dbraw/zinc/98/54/42/720985442.db2.gz TXJVQRFFAIVWPH-AWEZNQCLSA-N 2 1 356.461 3.192 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC000669935397 721503447 /nfs/dbraw/zinc/50/34/47/721503447.db2.gz SVJXMAGLYKKFFA-IBGZPJMESA-N 2 1 361.873 3.253 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nc4c(s3)CCC4)cc2)CC1 ZINC000671194707 721573975 /nfs/dbraw/zinc/57/39/75/721573975.db2.gz JQOIPNRLEWBEGU-UHFFFAOYSA-N 2 1 357.523 3.395 20 0 FGADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000675640850 721764695 /nfs/dbraw/zinc/76/46/95/721764695.db2.gz HMNAROKMVIYOAO-HNNXBMFYSA-N 2 1 371.294 3.321 20 0 FGADMP CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165022098 721802698 /nfs/dbraw/zinc/80/26/98/721802698.db2.gz HVJMVHOHKZHALM-SXLOBPIMSA-N 2 1 365.525 3.280 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C)[nH+]1 ZINC001165019731 721824562 /nfs/dbraw/zinc/82/45/62/721824562.db2.gz BIOOBQHCFJFNAP-SXLOBPIMSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C)[nH+]1 ZINC001165019731 721824563 /nfs/dbraw/zinc/82/45/63/721824563.db2.gz BIOOBQHCFJFNAP-SXLOBPIMSA-N 2 1 365.525 3.479 20 0 FGADMP CN(CC1CC[NH+](C)CC1)c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001165041276 721932565 /nfs/dbraw/zinc/93/25/65/721932565.db2.gz NUAJDUCHWOFLFR-UHFFFAOYSA-N 2 1 364.537 3.418 20 0 FGADMP O=C(Nc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000678343386 721953283 /nfs/dbraw/zinc/95/32/83/721953283.db2.gz RPWNLBYGRGIPQP-IRXDYDNUSA-N 2 1 355.869 3.244 20 0 FGADMP Brc1ccc(-c2ncc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000678343707 721953367 /nfs/dbraw/zinc/95/33/67/721953367.db2.gz YUBZEPXFHPMGGD-STQMWFEESA-N 2 1 364.312 3.224 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)n1 ZINC000678411649 721957419 /nfs/dbraw/zinc/95/74/19/721957419.db2.gz IFBYAVFINIFLQJ-QFBILLFUSA-N 2 1 358.555 3.399 20 0 FGADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678607628 721967322 /nfs/dbraw/zinc/96/73/22/721967322.db2.gz NMCNPUBPQHXAJM-LVFSCSRESA-N 2 1 351.897 3.441 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799996 722409746 /nfs/dbraw/zinc/40/97/46/722409746.db2.gz NVPSAQQPLOPGMH-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000732448582 722484892 /nfs/dbraw/zinc/48/48/92/722484892.db2.gz GUHMTNYLRSQEHF-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000749516392 722731469 /nfs/dbraw/zinc/73/14/69/722731469.db2.gz UKHMEBACMGEFGV-MRXNPFEDSA-N 2 1 354.947 3.353 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccnc(Cl)c3)CC2)CC1 ZINC000750834104 722782552 /nfs/dbraw/zinc/78/25/52/722782552.db2.gz HEQKSWZIQFRAOA-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000753763039 722911858 /nfs/dbraw/zinc/91/18/58/722911858.db2.gz LTWXBUNBSKFUBL-ZWOKBUDYSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000764928546 723460084 /nfs/dbraw/zinc/46/00/84/723460084.db2.gz ONLCDLYWVVAKQG-KFWWJZLASA-N 2 1 352.910 3.305 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000764928546 723460086 /nfs/dbraw/zinc/46/00/86/723460086.db2.gz ONLCDLYWVVAKQG-KFWWJZLASA-N 2 1 352.910 3.305 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCCC1 ZINC000765240630 723497864 /nfs/dbraw/zinc/49/78/64/723497864.db2.gz VDWHGGHOBMRCHU-HUUCEWRRSA-N 2 1 374.497 3.456 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC000796547495 723643016 /nfs/dbraw/zinc/64/30/16/723643016.db2.gz SSYALEMRECXXKV-RBUKOAKNSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC000796547495 723643017 /nfs/dbraw/zinc/64/30/17/723643017.db2.gz SSYALEMRECXXKV-RBUKOAKNSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000796547495 723643019 /nfs/dbraw/zinc/64/30/19/723643019.db2.gz SSYALEMRECXXKV-RBUKOAKNSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000796547495 723643020 /nfs/dbraw/zinc/64/30/20/723643020.db2.gz SSYALEMRECXXKV-RBUKOAKNSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCC[NH+](C)C1 ZINC000768547477 723661447 /nfs/dbraw/zinc/66/14/47/723661447.db2.gz RCIUBOFIPFTQTH-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCC[N@H+](C)C1 ZINC000768547477 723661449 /nfs/dbraw/zinc/66/14/49/723661449.db2.gz RCIUBOFIPFTQTH-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000768547477 723661451 /nfs/dbraw/zinc/66/14/51/723661451.db2.gz RCIUBOFIPFTQTH-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000769860969 723698038 /nfs/dbraw/zinc/69/80/38/723698038.db2.gz ONEIXDVKNQGANQ-PBHICJAKSA-N 2 1 362.543 3.246 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864535 723936448 /nfs/dbraw/zinc/93/64/48/723936448.db2.gz QWNYKIHBPJKFPY-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864535 723936450 /nfs/dbraw/zinc/93/64/50/723936450.db2.gz QWNYKIHBPJKFPY-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864535 723936453 /nfs/dbraw/zinc/93/64/53/723936453.db2.gz QWNYKIHBPJKFPY-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864535 723936455 /nfs/dbraw/zinc/93/64/55/723936455.db2.gz QWNYKIHBPJKFPY-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000774993984 723949370 /nfs/dbraw/zinc/94/93/70/723949370.db2.gz UJHDOOQNHCNOFI-MRXNPFEDSA-N 2 1 367.559 3.465 20 0 FGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000774993984 723949372 /nfs/dbraw/zinc/94/93/72/723949372.db2.gz UJHDOOQNHCNOFI-MRXNPFEDSA-N 2 1 367.559 3.465 20 0 FGADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000799187559 723996577 /nfs/dbraw/zinc/99/65/77/723996577.db2.gz VAFLIDSBCQFJOA-GOSISDBHSA-N 2 1 367.921 3.133 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358613 724017264 /nfs/dbraw/zinc/01/72/64/724017264.db2.gz NKFGAXQAGBDUPA-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358613 724017269 /nfs/dbraw/zinc/01/72/69/724017269.db2.gz NKFGAXQAGBDUPA-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358613 724017273 /nfs/dbraw/zinc/01/72/73/724017273.db2.gz NKFGAXQAGBDUPA-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000800373010 724188078 /nfs/dbraw/zinc/18/80/78/724188078.db2.gz GBYVRUFOZCJYFY-NVXWUHKLSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443377 724912950 /nfs/dbraw/zinc/91/29/50/724912950.db2.gz IMHQCTYBOIFLQE-ROUUACIJSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443377 724912953 /nfs/dbraw/zinc/91/29/53/724912953.db2.gz IMHQCTYBOIFLQE-ROUUACIJSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562993 725072972 /nfs/dbraw/zinc/07/29/72/725072972.db2.gz MWJDTRRCRGCCJO-HZPDHXFCSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562993 725072973 /nfs/dbraw/zinc/07/29/73/725072973.db2.gz MWJDTRRCRGCCJO-HZPDHXFCSA-N 2 1 353.551 3.342 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(Cl)c1 ZINC000806625386 725138166 /nfs/dbraw/zinc/13/81/66/725138166.db2.gz WJFSDRJINFOOMH-NRFANRHFSA-N 2 1 358.913 3.498 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000809717362 725262240 /nfs/dbraw/zinc/26/22/40/725262240.db2.gz GPIVIHPJELJDSK-HSFUPAIVSA-N 2 1 351.535 3.237 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000809757353 725265816 /nfs/dbraw/zinc/26/58/16/725265816.db2.gz ZCCSFOGRURMCFP-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](C)Cc1cnc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)s1 ZINC000809764052 725266225 /nfs/dbraw/zinc/26/62/25/725266225.db2.gz GGDBMKIUNKXYGX-UHFFFAOYSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929590 727288133 /nfs/dbraw/zinc/28/81/33/727288133.db2.gz QOSTVNUSEBYNAK-JEBQAFNWSA-N 2 1 363.299 3.031 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ncc(Br)cc1F ZINC000817947870 727289174 /nfs/dbraw/zinc/28/91/74/727289174.db2.gz DDLIDFZPFLJSBY-LLVKDONJSA-N 2 1 352.251 3.335 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1I)CC[NH2+]CC2 ZINC000818431726 727311218 /nfs/dbraw/zinc/31/12/18/727311218.db2.gz RUVCJTLBLUFISE-CYBMUJFWSA-N 2 1 370.278 3.255 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000818984267 727334407 /nfs/dbraw/zinc/33/44/07/727334407.db2.gz CLMBMUQCPQQITE-PBHICJAKSA-N 2 1 355.320 3.193 20 0 FGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000823851546 729309136 /nfs/dbraw/zinc/30/91/36/729309136.db2.gz OKULQBUIDFGIJV-JITJBCMDSA-N 2 1 350.547 3.490 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC000824989099 729366869 /nfs/dbraw/zinc/36/68/69/729366869.db2.gz ZSTZUAWREDYKLR-VUCRHFMTSA-N 2 1 351.535 3.237 20 0 FGADMP Cc1c(Br)cncc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000825762126 729394395 /nfs/dbraw/zinc/39/43/95/729394395.db2.gz AKGOPWJPNZROII-UHFFFAOYSA-N 2 1 352.320 3.460 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000834907285 729845366 /nfs/dbraw/zinc/84/53/66/729845366.db2.gz NBMYWARDLDOGPS-OBVSXPTNSA-N 2 1 351.535 3.142 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843354000 730609900 /nfs/dbraw/zinc/60/99/00/730609900.db2.gz PYHVGZCOPVWTRJ-UHFFFAOYSA-N 2 1 358.313 3.154 20 0 FGADMP O=C1[C@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)cc1Cl ZINC000843364608 730610785 /nfs/dbraw/zinc/61/07/85/730610785.db2.gz LETPJRVAZNUFTD-MRXNPFEDSA-N 2 1 368.308 3.174 20 0 FGADMP O=C1[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)cc1Cl ZINC000843364608 730610788 /nfs/dbraw/zinc/61/07/88/730610788.db2.gz LETPJRVAZNUFTD-MRXNPFEDSA-N 2 1 368.308 3.174 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363876 730611127 /nfs/dbraw/zinc/61/11/27/730611127.db2.gz HAWQMOGKNJKVSW-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844314643 730702048 /nfs/dbraw/zinc/70/20/48/730702048.db2.gz FTLHKPFLJORTPO-IBGZPJMESA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401671 730713083 /nfs/dbraw/zinc/71/30/83/730713083.db2.gz NZAOIMCWPMQZTE-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401671 730713087 /nfs/dbraw/zinc/71/30/87/730713087.db2.gz NZAOIMCWPMQZTE-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401671 730713090 /nfs/dbraw/zinc/71/30/90/730713090.db2.gz NZAOIMCWPMQZTE-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443552 730719877 /nfs/dbraw/zinc/71/98/77/730719877.db2.gz ZEJNREXOROEWOC-GOSISDBHSA-N 2 1 353.551 3.488 20 0 FGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846797805 730981476 /nfs/dbraw/zinc/98/14/76/730981476.db2.gz MCCWYNIHWZYHMO-KRWDZBQOSA-N 2 1 350.507 3.074 20 0 FGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846797805 730981477 /nfs/dbraw/zinc/98/14/77/730981477.db2.gz MCCWYNIHWZYHMO-KRWDZBQOSA-N 2 1 350.507 3.074 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000850344300 731344630 /nfs/dbraw/zinc/34/46/30/731344630.db2.gz FFIFIRAUQMJDPY-CQSZACIVSA-N 2 1 364.946 3.474 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109300 731544440 /nfs/dbraw/zinc/54/44/40/731544440.db2.gz ZCQPLPDDGZHNKO-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109300 731544444 /nfs/dbraw/zinc/54/44/44/731544444.db2.gz ZCQPLPDDGZHNKO-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109300 731544448 /nfs/dbraw/zinc/54/44/48/731544448.db2.gz ZCQPLPDDGZHNKO-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853092970 731664265 /nfs/dbraw/zinc/66/42/65/731664265.db2.gz XBZVEOVEARWQQM-MRXNPFEDSA-N 2 1 350.478 3.329 20 0 FGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853092970 731664268 /nfs/dbraw/zinc/66/42/68/731664268.db2.gz XBZVEOVEARWQQM-MRXNPFEDSA-N 2 1 350.478 3.329 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000858245274 732196245 /nfs/dbraw/zinc/19/62/45/732196245.db2.gz GANJOVQTHCVLPI-ADKAHSJRSA-N 2 1 353.551 3.391 20 0 FGADMP OCc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000858410862 732212109 /nfs/dbraw/zinc/21/21/09/732212109.db2.gz CRLYYYLWGDIQQS-MRXNPFEDSA-N 2 1 351.372 3.279 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cccnc2Br)c1 ZINC000865417367 733195520 /nfs/dbraw/zinc/19/55/20/733195520.db2.gz IITYSLDYXLSLBD-UHFFFAOYSA-N 2 1 364.287 3.074 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438038 733200800 /nfs/dbraw/zinc/20/08/00/733200800.db2.gz XWNVUKHBXGBUGK-KBPBESRZSA-N 2 1 367.456 3.154 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911033 733901490 /nfs/dbraw/zinc/90/14/90/733901490.db2.gz PYUJYBWPUIILRG-LJGDNWOOSA-N 2 1 367.896 3.106 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872053789 735582257 /nfs/dbraw/zinc/58/22/57/735582257.db2.gz NDPUMUCOUXOKMM-AEFFLSMTSA-N 2 1 365.315 3.378 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Br)c(C)s2)CC1 ZINC000873011912 735709104 /nfs/dbraw/zinc/70/91/04/735709104.db2.gz KKAUMINLTSAVHA-UHFFFAOYSA-N 2 1 374.392 3.326 20 0 FGADMP Brc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000873262217 735744435 /nfs/dbraw/zinc/74/44/35/735744435.db2.gz KLJKYFDXGFSWCR-WMZOPIPTSA-N 2 1 374.282 3.190 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000877690327 736705547 /nfs/dbraw/zinc/70/55/47/736705547.db2.gz QUYXVYAOIWBFGV-VQIMIIECSA-N 2 1 351.535 3.050 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879201475 736967870 /nfs/dbraw/zinc/96/78/70/736967870.db2.gz KCQBKQUMDSEPFT-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000891597159 739919361 /nfs/dbraw/zinc/91/93/61/739919361.db2.gz LCFPLYAVFWHZGY-NVXWUHKLSA-N 2 1 364.559 3.092 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892621075 740023728 /nfs/dbraw/zinc/02/37/28/740023728.db2.gz DRTDUFXJXBKPON-LJQANCHMSA-N 2 1 350.507 3.208 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC000892624825 740025151 /nfs/dbraw/zinc/02/51/51/740025151.db2.gz WVUTZCZWPVOURT-RBSFLKMASA-N 2 1 361.408 3.082 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892668641 740029573 /nfs/dbraw/zinc/02/95/73/740029573.db2.gz PHHPWKPOEJIGRJ-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892668641 740029579 /nfs/dbraw/zinc/02/95/79/740029579.db2.gz PHHPWKPOEJIGRJ-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697402 740033745 /nfs/dbraw/zinc/03/37/45/740033745.db2.gz SDCIYIYYIKOCHQ-MOPGFXCFSA-N 2 1 350.478 3.250 20 0 FGADMP CCOP(=O)(CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)OCC ZINC000895555696 742426035 /nfs/dbraw/zinc/42/60/35/742426035.db2.gz AQHFYDOZPICALR-INIZCTEOSA-N 2 1 355.419 3.248 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000897338682 742670210 /nfs/dbraw/zinc/67/02/10/742670210.db2.gz WGLXNXHPVYYMQY-CYBMUJFWSA-N 2 1 352.906 3.161 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC000900439907 743113551 /nfs/dbraw/zinc/11/35/51/743113551.db2.gz PSLUBETUXJUWTH-LNLFQRSKSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900439907 743113557 /nfs/dbraw/zinc/11/35/57/743113557.db2.gz PSLUBETUXJUWTH-LNLFQRSKSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900439907 743113564 /nfs/dbraw/zinc/11/35/64/743113564.db2.gz PSLUBETUXJUWTH-LNLFQRSKSA-N 2 1 361.555 3.093 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Br)c1 ZINC000903123939 743809701 /nfs/dbraw/zinc/80/97/01/743809701.db2.gz DIHXOKZBJTWDTE-NXCDMZCRSA-N 2 1 365.315 3.230 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Br)c1 ZINC000903123939 743809708 /nfs/dbraw/zinc/80/97/08/743809708.db2.gz DIHXOKZBJTWDTE-NXCDMZCRSA-N 2 1 365.315 3.230 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903209103 743822745 /nfs/dbraw/zinc/82/27/45/743822745.db2.gz GOKGTGNXPDRNGG-NXCDMZCRSA-N 2 1 354.416 3.486 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903209103 743822750 /nfs/dbraw/zinc/82/27/50/743822750.db2.gz GOKGTGNXPDRNGG-NXCDMZCRSA-N 2 1 354.416 3.486 20 0 FGADMP Fc1cc2[nH]c(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)cc2c(Br)c1 ZINC000921629668 758758884 /nfs/dbraw/zinc/75/88/84/758758884.db2.gz DEJKAXQDYZXHKF-LLVKDONJSA-N 2 1 363.234 3.371 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390428 758911681 /nfs/dbraw/zinc/91/16/81/758911681.db2.gz MNIMXBDREDRJJG-IXYNUQLISA-N 2 1 373.360 3.080 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389123 759109028 /nfs/dbraw/zinc/10/90/28/759109028.db2.gz TULQCVQQAPDDND-GGBBIFEXSA-N 2 1 373.324 3.245 20 0 FGADMP C[C@H]1C[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@H]1C[NH3+] ZINC000923492667 759130807 /nfs/dbraw/zinc/13/08/07/759130807.db2.gz YNQXQRVPNFKERN-QWRGUYRKSA-N 2 1 355.269 3.460 20 0 FGADMP C[C@H]1C[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@H]1C[NH3+] ZINC000923492667 759130812 /nfs/dbraw/zinc/13/08/12/759130812.db2.gz YNQXQRVPNFKERN-QWRGUYRKSA-N 2 1 355.269 3.460 20 0 FGADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490862 759130837 /nfs/dbraw/zinc/13/08/37/759130837.db2.gz WWRANRGDLMSVJI-JHJVBQTASA-N 2 1 360.527 3.253 20 0 FGADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490862 759130842 /nfs/dbraw/zinc/13/08/42/759130842.db2.gz WWRANRGDLMSVJI-JHJVBQTASA-N 2 1 360.527 3.253 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923491680 759130998 /nfs/dbraw/zinc/13/09/98/759130998.db2.gz MDCLTCJQGAWFIO-LBPRGKRZSA-N 2 1 350.260 3.275 20 0 FGADMP Brc1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000924593110 759360612 /nfs/dbraw/zinc/36/06/12/759360612.db2.gz VSWCOULDQJLYOO-KRWDZBQOSA-N 2 1 350.304 3.438 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929948 759419591 /nfs/dbraw/zinc/41/95/91/759419591.db2.gz OBFFTFTVBGERGB-INIZCTEOSA-N 2 1 366.933 3.426 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(OC)no3)CC2)cs1 ZINC000925031383 759433595 /nfs/dbraw/zinc/43/35/95/759433595.db2.gz LPXVYUZCJOBOTP-ZDUSSCGKSA-N 2 1 364.515 3.265 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc1 ZINC000925970865 759590511 /nfs/dbraw/zinc/59/05/11/759590511.db2.gz XATQNYRRFBVVQH-UHFFFAOYSA-N 2 1 352.544 3.080 20 0 FGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@]2(C)C1 ZINC000931309624 760824056 /nfs/dbraw/zinc/82/40/56/760824056.db2.gz FBNPAJZXGCONRI-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[N@H+]1C[C@]2(C)C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@]2(C)C1 ZINC000931309624 760824071 /nfs/dbraw/zinc/82/40/71/760824071.db2.gz FBNPAJZXGCONRI-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[NH+]1C[C@]2(C)C[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@]2(C)C1 ZINC000931309624 760824085 /nfs/dbraw/zinc/82/40/85/760824085.db2.gz FBNPAJZXGCONRI-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@]2(C)C1 ZINC000931309624 760824100 /nfs/dbraw/zinc/82/41/00/760824100.db2.gz FBNPAJZXGCONRI-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931441843 760863295 /nfs/dbraw/zinc/86/32/95/760863295.db2.gz ZQAIDWYMPOFENQ-OLZOCXBDSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931441843 760863306 /nfs/dbraw/zinc/86/33/06/760863306.db2.gz ZQAIDWYMPOFENQ-OLZOCXBDSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]2C1 ZINC000931441843 760863314 /nfs/dbraw/zinc/86/33/14/760863314.db2.gz ZQAIDWYMPOFENQ-OLZOCXBDSA-N 2 1 356.297 3.206 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935145205 761801232 /nfs/dbraw/zinc/80/12/32/761801232.db2.gz BVGCUGPOWHQQBY-KBXCAEBGSA-N 2 1 369.912 3.366 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000969690088 762861068 /nfs/dbraw/zinc/86/10/68/762861068.db2.gz OFUGORVWVLIHNZ-MDASCCDHSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000969690088 762861076 /nfs/dbraw/zinc/86/10/76/762861076.db2.gz OFUGORVWVLIHNZ-MDASCCDHSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000981197523 763464080 /nfs/dbraw/zinc/46/40/80/763464080.db2.gz FZOPOVAVKMFDPD-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000981197523 763464087 /nfs/dbraw/zinc/46/40/87/763464087.db2.gz FZOPOVAVKMFDPD-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC000981197523 763464093 /nfs/dbraw/zinc/46/40/93/763464093.db2.gz FZOPOVAVKMFDPD-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC000981197523 763464098 /nfs/dbraw/zinc/46/40/98/763464098.db2.gz FZOPOVAVKMFDPD-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[NH+](Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761492 764561095 /nfs/dbraw/zinc/56/10/95/764561095.db2.gz IUIQUHJLAPGCMD-JRBPQWBISA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761492 764561106 /nfs/dbraw/zinc/56/11/06/764561106.db2.gz IUIQUHJLAPGCMD-JRBPQWBISA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@H]2[N@@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761492 764561112 /nfs/dbraw/zinc/56/11/12/764561112.db2.gz IUIQUHJLAPGCMD-JRBPQWBISA-N 2 1 361.555 3.092 20 0 FGADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000996601185 765019498 /nfs/dbraw/zinc/01/94/98/765019498.db2.gz AGQBKRUTMXKXKN-QMTMVMCOSA-N 2 1 363.933 3.322 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001033835285 766223093 /nfs/dbraw/zinc/22/30/93/766223093.db2.gz WXFGYEHBAYECCJ-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001033835285 766223097 /nfs/dbraw/zinc/22/30/97/766223097.db2.gz WXFGYEHBAYECCJ-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001033835285 766223100 /nfs/dbraw/zinc/22/31/00/766223100.db2.gz WXFGYEHBAYECCJ-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(Cl)cc2C)CC[N@@H+]1C ZINC001038263775 766269496 /nfs/dbraw/zinc/26/94/96/766269496.db2.gz WWNXOUQIUCPIIR-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2ccc(Cl)cc2C)CC[N@H+]1C ZINC001038263775 766269499 /nfs/dbraw/zinc/26/94/99/766269499.db2.gz WWNXOUQIUCPIIR-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(Cl)cc2C)CC[NH+]1C ZINC001038263775 766269500 /nfs/dbraw/zinc/26/95/00/766269500.db2.gz WWNXOUQIUCPIIR-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2ccc(Cl)cc2C)CC[NH+]1C ZINC001038263775 766269503 /nfs/dbraw/zinc/26/95/03/766269503.db2.gz WWNXOUQIUCPIIR-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001045938716 766576539 /nfs/dbraw/zinc/57/65/39/766576539.db2.gz JQTFVIDJORBHCA-JMVLCYLXSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](C/C=C\Cl)C3)C2)CC[NH+]1C ZINC001045938716 766576547 /nfs/dbraw/zinc/57/65/47/766576547.db2.gz JQTFVIDJORBHCA-JMVLCYLXSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](C/C=C\Cl)C3)C2)CC[NH+]1C ZINC001045938716 766576552 /nfs/dbraw/zinc/57/65/52/766576552.db2.gz JQTFVIDJORBHCA-JMVLCYLXSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001046330156 766585442 /nfs/dbraw/zinc/58/54/42/766585442.db2.gz GBEFSGPVCIQSJD-HDMKZQKVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001046330156 766585450 /nfs/dbraw/zinc/58/54/50/766585450.db2.gz GBEFSGPVCIQSJD-HDMKZQKVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001046330156 766585456 /nfs/dbraw/zinc/58/54/56/766585456.db2.gz GBEFSGPVCIQSJD-HDMKZQKVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001046330156 766585462 /nfs/dbraw/zinc/58/54/62/766585462.db2.gz GBEFSGPVCIQSJD-HDMKZQKVSA-N 2 1 369.962 3.212 20 0 FGADMP Cc1ccsc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000048778123 257344379 /nfs/dbraw/zinc/34/43/79/257344379.db2.gz SYWPQYVQUOFIFP-UHFFFAOYSA-N 2 1 373.522 3.007 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CC(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000359904124 132375652 /nfs/dbraw/zinc/37/56/52/132375652.db2.gz UAZLVSBIVOUQAM-KRWDZBQOSA-N 2 1 352.482 3.366 20 0 FGADMP Ic1cccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000310985406 498747394 /nfs/dbraw/zinc/74/73/94/498747394.db2.gz KFFZYIPZNKLAHA-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000310985406 498747397 /nfs/dbraw/zinc/74/73/97/498747397.db2.gz KFFZYIPZNKLAHA-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000310985406 498747400 /nfs/dbraw/zinc/74/74/00/498747400.db2.gz KFFZYIPZNKLAHA-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2CC[NH2+]CC2)c1 ZINC000573595502 505574866 /nfs/dbraw/zinc/57/48/66/505574866.db2.gz UIUNQFGMNSCIBK-UHFFFAOYSA-N 2 1 351.494 3.048 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000567966291 505584928 /nfs/dbraw/zinc/58/49/28/505584928.db2.gz DDSNCNIPAKTUJA-IBGZPJMESA-N 2 1 367.518 3.061 20 0 FGADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000576750270 505585825 /nfs/dbraw/zinc/58/58/25/505585825.db2.gz WLRADASWNNNHNL-LEWJYISDSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000576750270 505585826 /nfs/dbraw/zinc/58/58/26/505585826.db2.gz WLRADASWNNNHNL-LEWJYISDSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000576750270 505585827 /nfs/dbraw/zinc/58/58/27/505585827.db2.gz WLRADASWNNNHNL-LEWJYISDSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000576750270 505585828 /nfs/dbraw/zinc/58/58/28/505585828.db2.gz WLRADASWNNNHNL-LEWJYISDSA-N 2 1 352.526 3.474 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000570859931 505597763 /nfs/dbraw/zinc/59/77/63/505597763.db2.gz OQDWEZTZXHJCGJ-QGZVFWFLSA-N 2 1 350.470 3.017 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000570859931 505597768 /nfs/dbraw/zinc/59/77/68/505597768.db2.gz OQDWEZTZXHJCGJ-QGZVFWFLSA-N 2 1 350.470 3.017 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746314 505611693 /nfs/dbraw/zinc/61/16/93/505611693.db2.gz OCLJPIBLZNSBMI-XMSQKQJNSA-N 2 1 365.521 3.041 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000576932731 505627516 /nfs/dbraw/zinc/62/75/16/505627516.db2.gz UEGHZFIUCVFVRT-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000576932731 505627520 /nfs/dbraw/zinc/62/75/20/505627520.db2.gz UEGHZFIUCVFVRT-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000576932731 505627524 /nfs/dbraw/zinc/62/75/24/505627524.db2.gz UEGHZFIUCVFVRT-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836225 505629942 /nfs/dbraw/zinc/62/99/42/505629942.db2.gz FUGLWPBKPYPYCM-VXKWHMMOSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836225 505629945 /nfs/dbraw/zinc/62/99/45/505629945.db2.gz FUGLWPBKPYPYCM-VXKWHMMOSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836225 505629949 /nfs/dbraw/zinc/62/99/49/505629949.db2.gz FUGLWPBKPYPYCM-VXKWHMMOSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836225 505629952 /nfs/dbraw/zinc/62/99/52/505629952.db2.gz FUGLWPBKPYPYCM-VXKWHMMOSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836225 505629956 /nfs/dbraw/zinc/62/99/56/505629956.db2.gz FUGLWPBKPYPYCM-VXKWHMMOSA-N 3 1 371.569 3.010 20 0 FGADMP Clc1ccc([C@H](C2CCOCC2)N2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000579854918 505633562 /nfs/dbraw/zinc/63/35/62/505633562.db2.gz PCDATUBCMXXLJU-HXUWFJFHSA-N 2 1 374.916 3.349 20 0 FGADMP c1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CCOCC2)cc1 ZINC000579942355 505650292 /nfs/dbraw/zinc/65/02/92/505650292.db2.gz HULYGSYYVCMOSR-UHFFFAOYSA-N 2 1 366.505 3.314 20 0 FGADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000577145426 505672493 /nfs/dbraw/zinc/67/24/93/505672493.db2.gz CRDGWYZHUTYJNR-OAHLLOKOSA-N 2 1 357.464 3.425 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047968483 493767279 /nfs/dbraw/zinc/76/72/79/493767279.db2.gz IYDBHXUGUUTDDD-GOSISDBHSA-N 2 1 357.542 3.234 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)N1CC[NH+](C)CC1 ZINC000075763172 493775558 /nfs/dbraw/zinc/77/55/58/493775558.db2.gz HCFRHGJIEYJGAY-FQEVSTJZSA-N 2 1 359.489 3.447 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000068484760 493828140 /nfs/dbraw/zinc/82/81/40/493828140.db2.gz YULSPDMJQCBOHO-UHFFFAOYSA-N 2 1 359.558 3.178 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000048828860 493848496 /nfs/dbraw/zinc/84/84/96/493848496.db2.gz ZSPCTTYEFIZBBV-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000081943441 493971201 /nfs/dbraw/zinc/97/12/01/493971201.db2.gz VGZWFLAJFQQCBX-CTNGQTDRSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000081943441 493971208 /nfs/dbraw/zinc/97/12/08/493971208.db2.gz VGZWFLAJFQQCBX-CTNGQTDRSA-N 2 1 373.516 3.125 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1ccc(CSC(F)F)o1)N1CC[NH+](C)CC1 ZINC000069677490 493996651 /nfs/dbraw/zinc/99/66/51/493996651.db2.gz MEQLNPUFPDFRNH-MRXNPFEDSA-N 2 1 361.502 3.097 20 0 FGADMP CC[C@@H](Sc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000580167351 505693875 /nfs/dbraw/zinc/69/38/75/505693875.db2.gz UJHLMIZQZMYNPN-LJQANCHMSA-N 2 1 370.522 3.343 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062370394 494011025 /nfs/dbraw/zinc/01/10/25/494011025.db2.gz GOUVNOBMBBGQPO-RTWAWAEBSA-N 2 1 353.510 3.271 20 0 FGADMP CCc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062370395 494011143 /nfs/dbraw/zinc/01/11/43/494011143.db2.gz GOUVNOBMBBGQPO-SFTDATJTSA-N 2 1 353.510 3.271 20 0 FGADMP OCC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCC[C@H]2CCO)cc1 ZINC000070950147 494073741 /nfs/dbraw/zinc/07/37/41/494073741.db2.gz GAAMHSIVOXEZCN-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000070950147 494073743 /nfs/dbraw/zinc/07/37/43/494073743.db2.gz GAAMHSIVOXEZCN-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000070950147 494073746 /nfs/dbraw/zinc/07/37/46/494073746.db2.gz GAAMHSIVOXEZCN-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305990 505703005 /nfs/dbraw/zinc/70/30/05/505703005.db2.gz BWWUQJSHIISLRS-NHCUHLMSSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305990 505703008 /nfs/dbraw/zinc/70/30/08/505703008.db2.gz BWWUQJSHIISLRS-NHCUHLMSSA-N 2 1 360.542 3.323 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000072504359 494187254 /nfs/dbraw/zinc/18/72/54/494187254.db2.gz DNMJADRBDOPPPI-ZWKOTPCHSA-N 2 1 374.529 3.108 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000054265453 494213514 /nfs/dbraw/zinc/21/35/14/494213514.db2.gz CFZXPXFNAFLZKD-UHFFFAOYSA-N 2 1 353.510 3.390 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1cccs1 ZINC000072800717 494252946 /nfs/dbraw/zinc/25/29/46/494252946.db2.gz POYXEELIBIHNPG-IEBWSBKVSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800717 494252952 /nfs/dbraw/zinc/25/29/52/494252952.db2.gz POYXEELIBIHNPG-IEBWSBKVSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800717 494252957 /nfs/dbraw/zinc/25/29/57/494252957.db2.gz POYXEELIBIHNPG-IEBWSBKVSA-N 2 1 371.550 3.002 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(C3CCCCC3)s2)CC1(C)C ZINC000568498281 505710163 /nfs/dbraw/zinc/71/01/63/505710163.db2.gz NAQZGCFPSPWFKD-UHFFFAOYSA-N 2 1 350.576 3.306 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000066046919 494273573 /nfs/dbraw/zinc/27/35/73/494273573.db2.gz AUVWXAPFGDMUMJ-JOCHJYFZSA-N 2 1 365.521 3.379 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1ccco1 ZINC000078402375 494292695 /nfs/dbraw/zinc/29/26/95/494292695.db2.gz IORUFROOSNGEQZ-ICSRJNTNSA-N 2 1 357.498 3.472 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000089393719 494299154 /nfs/dbraw/zinc/29/91/54/494299154.db2.gz BPIXWNGBIQJNQR-OAQYLSRUSA-N 2 1 366.509 3.107 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089701597 494345568 /nfs/dbraw/zinc/34/55/68/494345568.db2.gz KDTBYMINWJTBLG-SJCJKPOMSA-N 2 1 370.324 3.158 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089701597 494345572 /nfs/dbraw/zinc/34/55/72/494345572.db2.gz KDTBYMINWJTBLG-SJCJKPOMSA-N 2 1 370.324 3.158 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073724277 494418959 /nfs/dbraw/zinc/41/89/59/494418959.db2.gz ZRSZVQWHNMKOMF-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000073724277 494418963 /nfs/dbraw/zinc/41/89/63/494418963.db2.gz ZRSZVQWHNMKOMF-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000073724277 494418965 /nfs/dbraw/zinc/41/89/65/494418965.db2.gz ZRSZVQWHNMKOMF-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090061772 494435113 /nfs/dbraw/zinc/43/51/13/494435113.db2.gz JXMUIULNPVBGLB-UHFFFAOYSA-N 2 1 369.509 3.005 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cnc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000079324791 494437073 /nfs/dbraw/zinc/43/70/73/494437073.db2.gz XMITVRRNSGKFSD-UHFFFAOYSA-N 2 1 351.907 3.304 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cnc(Cl)s3)CC2)nc(C)[nH+]1 ZINC000079324791 494437076 /nfs/dbraw/zinc/43/70/76/494437076.db2.gz XMITVRRNSGKFSD-UHFFFAOYSA-N 2 1 351.907 3.304 20 0 FGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000073923428 494450288 /nfs/dbraw/zinc/45/02/88/494450288.db2.gz WPEGGXWABCHCID-IEBWSBKVSA-N 2 1 363.933 3.181 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000073930634 494451011 /nfs/dbraw/zinc/45/10/11/494451011.db2.gz KWXPUHKMGWNVAQ-LJQANCHMSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000067005503 494454133 /nfs/dbraw/zinc/45/41/33/494454133.db2.gz KGFIFYNUYCHIFG-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067005503 494454139 /nfs/dbraw/zinc/45/41/39/494454139.db2.gz KGFIFYNUYCHIFG-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067005503 494454142 /nfs/dbraw/zinc/45/41/42/494454142.db2.gz KGFIFYNUYCHIFG-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090525001 494478596 /nfs/dbraw/zinc/47/85/96/494478596.db2.gz TZVXUJODYOVBTB-BEVDRBHNSA-N 2 1 362.514 3.122 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079552570 494478990 /nfs/dbraw/zinc/47/89/90/494478990.db2.gz ABCUZSDPCPQOBT-NHCUHLMSSA-N 2 1 370.541 3.463 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000079613186 494493215 /nfs/dbraw/zinc/49/32/15/494493215.db2.gz MRMWWKHHEYPZHL-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000079613186 494493218 /nfs/dbraw/zinc/49/32/18/494493218.db2.gz MRMWWKHHEYPZHL-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000079613186 494493220 /nfs/dbraw/zinc/49/32/20/494493220.db2.gz MRMWWKHHEYPZHL-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000074249408 494503946 /nfs/dbraw/zinc/50/39/46/494503946.db2.gz IGGFFNFOAKINPL-UHFFFAOYSA-N 2 1 360.477 3.126 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000079939147 494552068 /nfs/dbraw/zinc/55/20/68/494552068.db2.gz QQEYOFYHWJIZRU-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079939147 494552073 /nfs/dbraw/zinc/55/20/73/494552073.db2.gz QQEYOFYHWJIZRU-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000079939147 494552076 /nfs/dbraw/zinc/55/20/76/494552076.db2.gz QQEYOFYHWJIZRU-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079974943 494561669 /nfs/dbraw/zinc/56/16/69/494561669.db2.gz SDASQPKPESSXBF-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000056786426 494562455 /nfs/dbraw/zinc/56/24/55/494562455.db2.gz SBNPLMSDPSUKCB-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000056786426 494562459 /nfs/dbraw/zinc/56/24/59/494562459.db2.gz SBNPLMSDPSUKCB-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000056786426 494562462 /nfs/dbraw/zinc/56/24/62/494562462.db2.gz SBNPLMSDPSUKCB-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091335976 494586580 /nfs/dbraw/zinc/58/65/80/494586580.db2.gz LFEQAQKRNFEVMK-KBXCAEBGSA-N 2 1 367.331 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000067685625 494611222 /nfs/dbraw/zinc/61/12/22/494611222.db2.gz RLXCWQJFKRSKFT-IBGZPJMESA-N 2 1 372.557 3.202 20 0 FGADMP Cc1ccc(-c2ncc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)s2)o1 ZINC000121152226 494618855 /nfs/dbraw/zinc/61/88/55/494618855.db2.gz DYWMTOXJCNQTKF-AWEZNQCLSA-N 2 1 363.527 3.236 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000115789993 494623448 /nfs/dbraw/zinc/62/34/48/494623448.db2.gz JEOATQAVSNFVJP-IBGZPJMESA-N 2 1 372.557 3.156 20 0 FGADMP C[NH+](CCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000074851422 494624257 /nfs/dbraw/zinc/62/42/57/494624257.db2.gz FUQCUPHQKPSJCP-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000074851422 494624263 /nfs/dbraw/zinc/62/42/63/494624263.db2.gz FUQCUPHQKPSJCP-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000074851422 494624269 /nfs/dbraw/zinc/62/42/69/494624269.db2.gz FUQCUPHQKPSJCP-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000057041773 494628306 /nfs/dbraw/zinc/62/83/06/494628306.db2.gz BFHHBNQCQORUDK-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000580317772 505732161 /nfs/dbraw/zinc/73/21/61/505732161.db2.gz CJRABLHUUVPDIR-HXUWFJFHSA-N 2 1 368.525 3.125 20 0 FGADMP COc1cccc(C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000121185370 494636370 /nfs/dbraw/zinc/63/63/70/494636370.db2.gz XSAJZDIRZAMSAE-SVMVAKDDSA-N 2 1 360.542 3.495 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000121313491 494697713 /nfs/dbraw/zinc/69/77/13/494697713.db2.gz MHMUYOFMZXBCCZ-RTBURBONSA-N 2 1 363.933 3.322 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000121313491 494697723 /nfs/dbraw/zinc/69/77/23/494697723.db2.gz MHMUYOFMZXBCCZ-RTBURBONSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000126299551 494700507 /nfs/dbraw/zinc/70/05/07/494700507.db2.gz HOHXADLIUFSUQS-IBGZPJMESA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000057280762 494703470 /nfs/dbraw/zinc/70/34/70/494703470.db2.gz PSIYJOCKJYVGDO-SEJPIABJSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000067996638 494724955 /nfs/dbraw/zinc/72/49/55/494724955.db2.gz XRIYTWKQNQXVTO-KRWDZBQOSA-N 2 1 374.447 3.250 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000067996638 494724963 /nfs/dbraw/zinc/72/49/63/494724963.db2.gz XRIYTWKQNQXVTO-KRWDZBQOSA-N 2 1 374.447 3.250 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075329088 494732535 /nfs/dbraw/zinc/73/25/35/494732535.db2.gz CYGPJOUVRYKYMB-MRXNPFEDSA-N 2 1 357.498 3.298 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066203 494773972 /nfs/dbraw/zinc/77/39/72/494773972.db2.gz KGRYZECIQAFZGB-WIYYLYMNSA-N 2 1 351.498 3.024 20 0 FGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066203 494773978 /nfs/dbraw/zinc/77/39/78/494773978.db2.gz KGRYZECIQAFZGB-WIYYLYMNSA-N 2 1 351.498 3.024 20 0 FGADMP Cc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066203 494773983 /nfs/dbraw/zinc/77/39/83/494773983.db2.gz KGRYZECIQAFZGB-WIYYLYMNSA-N 2 1 351.498 3.024 20 0 FGADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336977 494872560 /nfs/dbraw/zinc/87/25/60/494872560.db2.gz COSUOWOBZIWHHM-OAQYLSRUSA-N 2 1 361.493 3.221 20 0 FGADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336977 494872561 /nfs/dbraw/zinc/87/25/61/494872561.db2.gz COSUOWOBZIWHHM-OAQYLSRUSA-N 2 1 361.493 3.221 20 0 FGADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336977 494872564 /nfs/dbraw/zinc/87/25/64/494872564.db2.gz COSUOWOBZIWHHM-OAQYLSRUSA-N 2 1 361.493 3.221 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000121872860 494879065 /nfs/dbraw/zinc/87/90/65/494879065.db2.gz HGXOKDUPDYCPJG-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP CC(C)[C@@H](c1ccccc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093361656 494879163 /nfs/dbraw/zinc/87/91/63/494879163.db2.gz DCEWQWBMVSDBFG-FQEVSTJZSA-N 2 1 353.514 3.058 20 0 FGADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093361656 494879165 /nfs/dbraw/zinc/87/91/65/494879165.db2.gz DCEWQWBMVSDBFG-FQEVSTJZSA-N 2 1 353.514 3.058 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093693409 494913822 /nfs/dbraw/zinc/91/38/22/494913822.db2.gz JMDYYLOFEDDLHY-FQEVSTJZSA-N 3 1 372.601 3.381 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093693409 494913826 /nfs/dbraw/zinc/91/38/26/494913826.db2.gz JMDYYLOFEDDLHY-FQEVSTJZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCc2nccs2)CC1 ZINC000093843899 494927520 /nfs/dbraw/zinc/92/75/20/494927520.db2.gz DDOAZHSONPCUCX-UHFFFAOYSA-N 2 1 358.555 3.350 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000127369291 494934666 /nfs/dbraw/zinc/93/46/66/494934666.db2.gz LMJAKCSICAKDOB-QRQLOZEOSA-N 2 1 364.578 3.011 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122312877 494956646 /nfs/dbraw/zinc/95/66/46/494956646.db2.gz XQAMRAKHGABRPD-INIZCTEOSA-N 2 1 357.502 3.273 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122312877 494956648 /nfs/dbraw/zinc/95/66/48/494956648.db2.gz XQAMRAKHGABRPD-INIZCTEOSA-N 2 1 357.502 3.273 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000110437659 494978987 /nfs/dbraw/zinc/97/89/87/494978987.db2.gz LYXMYAADWOJZFZ-OAQYLSRUSA-N 2 1 357.542 3.423 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914967 495021450 /nfs/dbraw/zinc/02/14/50/495021450.db2.gz DLJIGZZCJHDERH-JOCHJYFZSA-N 2 1 365.521 3.414 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914967 495021453 /nfs/dbraw/zinc/02/14/53/495021453.db2.gz DLJIGZZCJHDERH-JOCHJYFZSA-N 2 1 365.521 3.414 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914967 495021455 /nfs/dbraw/zinc/02/14/55/495021455.db2.gz DLJIGZZCJHDERH-JOCHJYFZSA-N 2 1 365.521 3.414 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914967 495021457 /nfs/dbraw/zinc/02/14/57/495021457.db2.gz DLJIGZZCJHDERH-JOCHJYFZSA-N 2 1 365.521 3.414 20 0 FGADMP CCC[NH+]1CCC(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000097595809 495038394 /nfs/dbraw/zinc/03/83/94/495038394.db2.gz BVPPZIMRVWSMIM-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000128188153 495058013 /nfs/dbraw/zinc/05/80/13/495058013.db2.gz FBRQQOLRBNCJPM-QRVBRYPASA-N 2 1 354.583 3.115 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000133768209 495059168 /nfs/dbraw/zinc/05/91/68/495059168.db2.gz IDZCLHCILXWDLT-NRFANRHFSA-N 2 1 372.557 3.060 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000111685896 495096131 /nfs/dbraw/zinc/09/61/31/495096131.db2.gz BLQJRKNIOQSXMX-GOSISDBHSA-N 2 1 353.510 3.472 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000111685896 495096133 /nfs/dbraw/zinc/09/61/33/495096133.db2.gz BLQJRKNIOQSXMX-GOSISDBHSA-N 2 1 353.510 3.472 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c1 ZINC000119137123 495101351 /nfs/dbraw/zinc/10/13/51/495101351.db2.gz FOVOMZPHHPUJDI-WOJBJXKFSA-N 2 1 360.542 3.157 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111793279 495111640 /nfs/dbraw/zinc/11/16/40/495111640.db2.gz ISFYFBNTYZUOKJ-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000128741171 495143367 /nfs/dbraw/zinc/14/33/67/495143367.db2.gz NMGXDTJEBAAMRC-WMZOPIPTSA-N 2 1 352.567 3.011 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000128838424 495156750 /nfs/dbraw/zinc/15/67/50/495156750.db2.gz FQAWVKAQLGHLKE-DYESRHJHSA-N 2 1 374.573 3.052 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000128890087 495164163 /nfs/dbraw/zinc/16/41/63/495164163.db2.gz RONMTMMJEGXIPM-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000128890087 495164167 /nfs/dbraw/zinc/16/41/67/495164167.db2.gz RONMTMMJEGXIPM-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000123885400 495201804 /nfs/dbraw/zinc/20/18/04/495201804.db2.gz DWSTYZSRGIAHLU-GOSISDBHSA-N 2 1 360.546 3.233 20 0 FGADMP Cc1ccccc1OCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119690012 495218945 /nfs/dbraw/zinc/21/89/45/495218945.db2.gz FPXOZDQCPOCNEK-WCRBZPEASA-N 2 1 357.542 3.007 20 0 FGADMP CC1(C)CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000112701870 495226104 /nfs/dbraw/zinc/22/61/04/495226104.db2.gz GKIUSEZYCNULJM-UHFFFAOYSA-N 2 1 361.555 3.296 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000129430678 495244387 /nfs/dbraw/zinc/24/43/87/495244387.db2.gz XXLNTKHICAVMQX-SFHVURJKSA-N 2 1 367.493 3.198 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129426321 495244517 /nfs/dbraw/zinc/24/45/17/495244517.db2.gz CYKZQVNWYNXNJL-QINHECLXSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000129444128 495245472 /nfs/dbraw/zinc/24/54/72/495245472.db2.gz FWBKHHUYXAOXLU-GOSISDBHSA-N 2 1 364.578 3.205 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119921453 495270163 /nfs/dbraw/zinc/27/01/63/495270163.db2.gz CTKPFSPKQDMKEW-KSZLIROESA-N 2 1 356.514 3.331 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000124365191 495276099 /nfs/dbraw/zinc/27/60/99/495276099.db2.gz WEHBQKHBMWGVJV-LJQANCHMSA-N 2 1 365.949 3.417 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000119992467 495284586 /nfs/dbraw/zinc/28/45/86/495284586.db2.gz ZLKAVEMAVLLHJK-XVAXZDLZSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1nccn1CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000129833986 495302603 /nfs/dbraw/zinc/30/26/03/495302603.db2.gz VVKFFDNCHBPYPE-IBGZPJMESA-N 2 1 372.488 3.139 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000129833986 495302608 /nfs/dbraw/zinc/30/26/08/495302608.db2.gz VVKFFDNCHBPYPE-IBGZPJMESA-N 2 1 372.488 3.139 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)CCCn2cc[nH+]c2C)[NH+](C)C)cc1 ZINC000120089748 495305075 /nfs/dbraw/zinc/30/50/75/495305075.db2.gz FGKQDLLOYLVLQK-FQEVSTJZSA-N 2 1 371.529 3.088 20 0 FGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000577681820 505774330 /nfs/dbraw/zinc/77/43/30/505774330.db2.gz CREFKOSKOWGYAQ-NJDAHSKKSA-N 2 1 374.569 3.455 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113622096 495322055 /nfs/dbraw/zinc/32/20/55/495322055.db2.gz QYJAKZSHQKXMHK-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000105123955 495339248 /nfs/dbraw/zinc/33/92/48/495339248.db2.gz LRTPQVLKSMFAMO-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+]1CCC(N(C)CC(C)C[N@@H+](C)C2CC[NH+](CCC)CC2)CC1 ZINC000124767399 495340302 /nfs/dbraw/zinc/34/03/02/495340302.db2.gz VGOJBPAQISQOOF-UHFFFAOYSA-N 3 1 366.638 3.235 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105276428 495351849 /nfs/dbraw/zinc/35/18/49/495351849.db2.gz LMFCTLLGPOSNMW-NRFANRHFSA-N 2 1 374.573 3.400 20 0 FGADMP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)s1 ZINC000114455667 495376396 /nfs/dbraw/zinc/37/63/96/495376396.db2.gz BYZYHNGSNOZYDN-UHFFFAOYSA-N 2 1 351.560 3.256 20 0 FGADMP C[C@H]1CCC[C@H](C)C1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125030715 495379695 /nfs/dbraw/zinc/37/96/95/495379695.db2.gz TXLJITIGHPMTRA-ROUUACIJSA-N 2 1 373.541 3.262 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](CCCc2nc(-c3ccccc3)no2)CC1 ZINC000106165243 495422736 /nfs/dbraw/zinc/42/27/36/495422736.db2.gz NGLZVRUBNYJIBJ-UHFFFAOYSA-N 2 1 365.481 3.357 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114834426 495433948 /nfs/dbraw/zinc/43/39/48/495433948.db2.gz LPFSORAUIUUCEY-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000137343118 495438053 /nfs/dbraw/zinc/43/80/53/495438053.db2.gz KXWKYBOJKXJSDC-UHFFFAOYSA-N 2 1 359.514 3.411 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000125529572 495458668 /nfs/dbraw/zinc/45/86/68/495458668.db2.gz QHWFPTDXXZUERU-PZJWPPBQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000125529572 495458670 /nfs/dbraw/zinc/45/86/70/495458670.db2.gz QHWFPTDXXZUERU-PZJWPPBQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000125529572 495458673 /nfs/dbraw/zinc/45/86/73/495458673.db2.gz QHWFPTDXXZUERU-PZJWPPBQSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125563121 495463034 /nfs/dbraw/zinc/46/30/34/495463034.db2.gz HIJTWXBPTMBIEE-FHLIZLRMSA-N 2 1 369.912 3.174 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000106531981 495464199 /nfs/dbraw/zinc/46/41/99/495464199.db2.gz DEFYACLYQBVQNZ-GUDVDZBRSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000577749330 505784924 /nfs/dbraw/zinc/78/49/24/505784924.db2.gz YDBKTVYSVCZGAI-SXLOBPIMSA-N 2 1 357.542 3.093 20 0 FGADMP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120971045 495494783 /nfs/dbraw/zinc/49/47/83/495494783.db2.gz BXTLTVBQVYKUTM-JTSKRJEESA-N 3 1 370.516 3.283 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544689 495534920 /nfs/dbraw/zinc/53/49/20/495534920.db2.gz HZVIITUKNYLBMS-NQIIRXRSSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544689 495534924 /nfs/dbraw/zinc/53/49/24/495534924.db2.gz HZVIITUKNYLBMS-NQIIRXRSSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544689 495534928 /nfs/dbraw/zinc/53/49/28/495534928.db2.gz HZVIITUKNYLBMS-NQIIRXRSSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444062 495565528 /nfs/dbraw/zinc/56/55/28/495565528.db2.gz DDOJEGUDKUBSNE-PXNSSMCTSA-N 2 1 372.557 3.200 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158741723 495578996 /nfs/dbraw/zinc/57/89/96/495578996.db2.gz DYOUAWCECVXPMO-WBVHZDCISA-N 2 1 360.889 3.349 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000173540218 495581029 /nfs/dbraw/zinc/58/10/29/495581029.db2.gz FUQSRWAIVHCCAV-NRFANRHFSA-N 2 1 372.557 3.156 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000179493691 495614094 /nfs/dbraw/zinc/61/40/94/495614094.db2.gz HMAABFVTNVECEL-SFHVURJKSA-N 2 1 356.514 3.339 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000179493691 495614096 /nfs/dbraw/zinc/61/40/96/495614096.db2.gz HMAABFVTNVECEL-SFHVURJKSA-N 2 1 356.514 3.339 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618843 495616802 /nfs/dbraw/zinc/61/68/02/495616802.db2.gz SQZKPFNKEMHJMJ-GJZGRUSLSA-N 2 1 351.922 3.368 20 0 FGADMP Cc1cc(C)cc(OCCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000182582604 495624839 /nfs/dbraw/zinc/62/48/39/495624839.db2.gz CKDZPBYKQYNXKW-CBQGHPETSA-N 2 1 371.569 3.315 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853093 505793443 /nfs/dbraw/zinc/79/34/43/505793443.db2.gz XIBYGXCTMGQMAC-RBUKOAKNSA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853093 505793447 /nfs/dbraw/zinc/79/34/47/505793447.db2.gz XIBYGXCTMGQMAC-RBUKOAKNSA-N 2 1 374.550 3.250 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000158963264 495625987 /nfs/dbraw/zinc/62/59/87/495625987.db2.gz HGQZOIDVSCZPMR-QUCCMNQESA-N 2 1 364.530 3.134 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853093 505793450 /nfs/dbraw/zinc/79/34/50/505793450.db2.gz XIBYGXCTMGQMAC-RBUKOAKNSA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)c3c[nH+]ccc3N(C)C)C2)s1 ZINC000577793563 505793849 /nfs/dbraw/zinc/79/38/49/505793849.db2.gz LWKRQFZMSKIMOP-INIZCTEOSA-N 2 1 372.538 3.112 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3c[nH+]ccc3N(C)C)C2)s1 ZINC000577793563 505793851 /nfs/dbraw/zinc/79/38/51/505793851.db2.gz LWKRQFZMSKIMOP-INIZCTEOSA-N 2 1 372.538 3.112 20 0 FGADMP COc1ccccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179552864 495638343 /nfs/dbraw/zinc/63/83/43/495638343.db2.gz CKPIXEJQSIKLJB-PMACEKPBSA-N 2 1 373.541 3.104 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC2)oc1C ZINC000182653604 495651373 /nfs/dbraw/zinc/65/13/73/495651373.db2.gz YPHCWVNILFLCPG-CQSZACIVSA-N 2 1 365.518 3.213 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185669876 495670799 /nfs/dbraw/zinc/67/07/99/495670799.db2.gz IUEHZYLLXOVBEZ-GJYPPUQNSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185669876 495670802 /nfs/dbraw/zinc/67/08/02/495670802.db2.gz IUEHZYLLXOVBEZ-GJYPPUQNSA-N 2 1 371.525 3.459 20 0 FGADMP C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680605 495676898 /nfs/dbraw/zinc/67/68/98/495676898.db2.gz BVOAFKKAHKCWBR-DLBZAZTESA-N 2 1 360.498 3.427 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691537 495680622 /nfs/dbraw/zinc/68/06/22/495680622.db2.gz CJFQNTAVNINVHL-CMKODMSKSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691537 495680629 /nfs/dbraw/zinc/68/06/29/495680629.db2.gz CJFQNTAVNINVHL-CMKODMSKSA-N 2 1 357.542 3.242 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869572 505797066 /nfs/dbraw/zinc/79/70/66/505797066.db2.gz UITIKFALLACQSP-OIISXLGYSA-N 2 1 369.431 3.056 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247518 495692063 /nfs/dbraw/zinc/69/20/63/495692063.db2.gz YKUAJWRSYRZHDQ-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247518 495692071 /nfs/dbraw/zinc/69/20/71/495692071.db2.gz YKUAJWRSYRZHDQ-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247518 495692076 /nfs/dbraw/zinc/69/20/76/495692076.db2.gz YKUAJWRSYRZHDQ-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159272974 495698904 /nfs/dbraw/zinc/69/89/04/495698904.db2.gz JZFYOBDDOSSVAY-IBGZPJMESA-N 2 1 357.542 3.279 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746784 495709515 /nfs/dbraw/zinc/70/95/15/495709515.db2.gz AJHLGCQBOPYODZ-QUCCMNQESA-N 2 1 357.542 3.196 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746784 495709518 /nfs/dbraw/zinc/70/95/18/495709518.db2.gz AJHLGCQBOPYODZ-QUCCMNQESA-N 2 1 357.542 3.196 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763128 495716188 /nfs/dbraw/zinc/71/61/88/495716188.db2.gz VUNNOWNNYDJCKI-ABSDTBQOSA-N 2 1 357.498 3.254 20 0 FGADMP O[C@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868837 495725854 /nfs/dbraw/zinc/72/58/54/495725854.db2.gz YSQGTXQTPRMLCL-CTNGQTDRSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868837 495725856 /nfs/dbraw/zinc/72/58/56/495725856.db2.gz YSQGTXQTPRMLCL-CTNGQTDRSA-N 2 1 368.521 3.387 20 0 FGADMP O=C(CC[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566951 505804397 /nfs/dbraw/zinc/80/43/97/505804397.db2.gz VROYIOJGPAUFRD-FQEVSTJZSA-N 2 1 366.509 3.302 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000151417328 495833275 /nfs/dbraw/zinc/83/32/75/495833275.db2.gz FYBREIOCFDPWJY-HXUWFJFHSA-N 2 1 373.541 3.244 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000151417328 495833276 /nfs/dbraw/zinc/83/32/76/495833276.db2.gz FYBREIOCFDPWJY-HXUWFJFHSA-N 2 1 373.541 3.244 20 0 FGADMP CO[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000577871637 505809881 /nfs/dbraw/zinc/80/98/81/505809881.db2.gz VCNXEYRIQOUNAW-JKSUJKDBSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000577871637 505809882 /nfs/dbraw/zinc/80/98/82/505809882.db2.gz VCNXEYRIQOUNAW-JKSUJKDBSA-N 2 1 360.420 3.303 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000177061081 495907323 /nfs/dbraw/zinc/90/73/23/495907323.db2.gz OCNBSNUCPRQKIR-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000177061081 495907328 /nfs/dbraw/zinc/90/73/28/495907328.db2.gz OCNBSNUCPRQKIR-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061081 495907333 /nfs/dbraw/zinc/90/73/33/495907333.db2.gz OCNBSNUCPRQKIR-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061081 495907337 /nfs/dbraw/zinc/90/73/37/495907337.db2.gz OCNBSNUCPRQKIR-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP CC(=O)N1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000174450484 495964142 /nfs/dbraw/zinc/96/41/42/495964142.db2.gz CHZRCYDHFCZJCR-UHFFFAOYSA-N 2 1 355.482 3.012 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000174468524 495973763 /nfs/dbraw/zinc/97/37/63/495973763.db2.gz KZASVHWUGLJGDY-MJGOQNOKSA-N 2 1 357.542 3.196 20 0 FGADMP C[NH+](C)CCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000151933703 495997416 /nfs/dbraw/zinc/99/74/16/495997416.db2.gz NCANKXBEOJBISH-CQSZACIVSA-N 2 1 374.266 3.046 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000177313796 496014635 /nfs/dbraw/zinc/01/46/35/496014635.db2.gz KADLHXPESQWKBO-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000177313796 496014640 /nfs/dbraw/zinc/01/46/40/496014640.db2.gz KADLHXPESQWKBO-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000183557321 496030161 /nfs/dbraw/zinc/03/01/61/496030161.db2.gz KKYBNSYEPXNDEJ-RBBKRZOGSA-N 2 1 359.558 3.078 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000183557321 496030166 /nfs/dbraw/zinc/03/01/66/496030166.db2.gz KKYBNSYEPXNDEJ-RBBKRZOGSA-N 2 1 359.558 3.078 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000568979950 505823223 /nfs/dbraw/zinc/82/32/23/505823223.db2.gz QMDHAVMGLGNYET-OPYAIIAOSA-N 2 1 357.542 3.442 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)c1 ZINC000177690402 496159988 /nfs/dbraw/zinc/15/99/88/496159988.db2.gz WVCRETSYXMAUCB-FQEVSTJZSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177690402 496159996 /nfs/dbraw/zinc/15/99/96/496159996.db2.gz WVCRETSYXMAUCB-FQEVSTJZSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177690402 496160000 /nfs/dbraw/zinc/16/00/00/496160000.db2.gz WVCRETSYXMAUCB-FQEVSTJZSA-N 2 1 357.542 3.409 20 0 FGADMP C[NH+](Cc1ccc(C[N@@H+](C)CC2CCOCC2)cc1)CC1CCOCC1 ZINC000156158818 496173014 /nfs/dbraw/zinc/17/30/14/496173014.db2.gz LHPGGPOTELAWSW-UHFFFAOYSA-N 2 1 360.542 3.403 20 0 FGADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000174949348 496178738 /nfs/dbraw/zinc/17/87/38/496178738.db2.gz VQERHWQVQFBNBW-UNMCSNQZSA-N 2 1 365.521 3.270 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000174949348 496178743 /nfs/dbraw/zinc/17/87/43/496178743.db2.gz VQERHWQVQFBNBW-UNMCSNQZSA-N 2 1 365.521 3.270 20 0 FGADMP C[C@@H](CC[NH2+]C1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156231425 496193643 /nfs/dbraw/zinc/19/36/43/496193643.db2.gz OUUNELCYZNZSGC-SFHVURJKSA-N 2 1 369.509 3.384 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000161629986 496210828 /nfs/dbraw/zinc/21/08/28/496210828.db2.gz WOALXMLFMNDIBY-FUHWJXTLSA-N 2 1 372.557 3.258 20 0 FGADMP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152647515 496213549 /nfs/dbraw/zinc/21/35/49/496213549.db2.gz SJSFIVGZYVFXTG-KRWDZBQOSA-N 2 1 365.481 3.059 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000180985589 496229761 /nfs/dbraw/zinc/22/97/61/496229761.db2.gz ZCUDCVUGTBEUBW-QFIPXVFZSA-N 2 1 364.489 3.209 20 0 FGADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)cc2c1 ZINC000180993476 496233293 /nfs/dbraw/zinc/23/32/93/496233293.db2.gz HEVJJTNBTRUSLU-IBGZPJMESA-N 2 1 366.461 3.298 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000574684410 505831085 /nfs/dbraw/zinc/83/10/85/505831085.db2.gz MPEVTRLDUZKSDW-RTBURBONSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000574684410 505831090 /nfs/dbraw/zinc/83/10/90/505831090.db2.gz MPEVTRLDUZKSDW-RTBURBONSA-N 2 1 374.550 3.298 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2 ZINC000162250643 496322930 /nfs/dbraw/zinc/32/29/30/496322930.db2.gz JMGPJBMXSDTVQR-HXUWFJFHSA-N 2 1 352.482 3.348 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175303454 496330775 /nfs/dbraw/zinc/33/07/75/496330775.db2.gz VBGDDDSDUMFXMN-WIYYLYMNSA-N 2 1 372.557 3.212 20 0 FGADMP CCCC[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C(=O)Nc1cc(C)on1 ZINC000184472861 496400145 /nfs/dbraw/zinc/40/01/45/496400145.db2.gz UCOOUJJUSPSVHC-INIZCTEOSA-N 2 1 350.507 3.192 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc(C)nc3C)CC2)oc1C ZINC000162743649 496405796 /nfs/dbraw/zinc/40/57/96/496405796.db2.gz BQJIJIOWPUEPBE-AWEZNQCLSA-N 2 1 357.502 3.261 20 0 FGADMP CN(CCC[NH2+]C1CCN(Cc2cccnc2)CC1)Cc1ccccc1 ZINC000162772574 496410761 /nfs/dbraw/zinc/41/07/61/496410761.db2.gz OFUZACSFOBTQQE-UHFFFAOYSA-N 3 1 352.526 3.158 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417929 /nfs/dbraw/zinc/41/79/29/496417929.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417935 /nfs/dbraw/zinc/41/79/35/496417935.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820381 496417939 /nfs/dbraw/zinc/41/79/39/496417939.db2.gz MEJMZKUHMRWOGG-JQERWDHBSA-N 2 1 366.933 3.195 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184556812 496438760 /nfs/dbraw/zinc/43/87/60/496438760.db2.gz ZTWKWGPDMBPQMV-NRFANRHFSA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219431 496483463 /nfs/dbraw/zinc/48/34/63/496483463.db2.gz NCVOCKZDCSRQAS-UONOGXRCSA-N 2 1 368.319 3.098 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574750334 505847375 /nfs/dbraw/zinc/84/73/75/505847375.db2.gz OXUKERNCBWLJPD-DBXWQHBBSA-N 2 1 374.550 3.469 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574750334 505847377 /nfs/dbraw/zinc/84/73/77/505847377.db2.gz OXUKERNCBWLJPD-DBXWQHBBSA-N 2 1 374.550 3.469 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000157525080 496495133 /nfs/dbraw/zinc/49/51/33/496495133.db2.gz AMSGLPGLBQORCK-OAQYLSRUSA-N 2 1 374.573 3.306 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628388 496518336 /nfs/dbraw/zinc/51/83/36/496518336.db2.gz KBPQNAKBWKUUOZ-IBGZPJMESA-N 2 1 360.546 3.492 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000569085751 505849199 /nfs/dbraw/zinc/84/91/99/505849199.db2.gz UJWREMVDHCDCEB-AOIWGVFYSA-N 2 1 372.538 3.130 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2cccs2)cc1 ZINC000178668281 496534499 /nfs/dbraw/zinc/53/44/99/496534499.db2.gz YOXKMEICHJMYIC-INIZCTEOSA-N 2 1 357.523 3.230 20 0 FGADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000178670498 496535256 /nfs/dbraw/zinc/53/52/56/496535256.db2.gz CPMSFYISEARMFR-OAQYLSRUSA-N 2 1 369.509 3.053 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157753039 496545230 /nfs/dbraw/zinc/54/52/30/496545230.db2.gz FEBMNNPVJWWING-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912557 496582990 /nfs/dbraw/zinc/58/29/90/496582990.db2.gz TYJXLLRORKNTAO-SJORKVTESA-N 2 1 352.544 3.253 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000184942421 496594638 /nfs/dbraw/zinc/59/46/38/496594638.db2.gz ONKVZQHUFNCKCV-RTWAWAEBSA-N 2 1 351.494 3.025 20 0 FGADMP CC(C)OCCN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000157958062 496595136 /nfs/dbraw/zinc/59/51/36/496595136.db2.gz JPIFBGOHBWBQRL-UHFFFAOYSA-N 2 1 351.579 3.263 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]([NH3+])c2ccccc2OC)cc1 ZINC000164304619 496602699 /nfs/dbraw/zinc/60/26/99/496602699.db2.gz LXYBZHJRVQNWOP-HXUWFJFHSA-N 2 1 371.481 3.054 20 0 FGADMP O=C(NCc1ccco1)c1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000164986759 496642213 /nfs/dbraw/zinc/64/22/13/496642213.db2.gz ZPHSBVVGMNOQNR-UHFFFAOYSA-N 2 1 367.493 3.174 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000182037861 496644457 /nfs/dbraw/zinc/64/44/57/496644457.db2.gz NIOREBMSQNPIBB-FQEVSTJZSA-N 2 1 371.569 3.131 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000165149891 496650239 /nfs/dbraw/zinc/65/02/39/496650239.db2.gz IGIWDCYRJGVXNG-OALUTQOASA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000165149891 496650244 /nfs/dbraw/zinc/65/02/44/496650244.db2.gz IGIWDCYRJGVXNG-OALUTQOASA-N 2 1 371.550 3.337 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000182054121 496652231 /nfs/dbraw/zinc/65/22/31/496652231.db2.gz XVGIDGCSTIRONA-LQWHRVPQSA-N 2 1 351.494 3.116 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967974 505857921 /nfs/dbraw/zinc/85/79/21/505857921.db2.gz QLDYKGDXKBDXKH-ZVDOUQERSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000571967974 505857925 /nfs/dbraw/zinc/85/79/25/505857925.db2.gz QLDYKGDXKBDXKH-ZVDOUQERSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000571967974 505857930 /nfs/dbraw/zinc/85/79/30/505857930.db2.gz QLDYKGDXKBDXKH-ZVDOUQERSA-N 2 1 374.573 3.315 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000182082650 496662902 /nfs/dbraw/zinc/66/29/02/496662902.db2.gz RBTGVCJTVDZCBB-WWMYMODYSA-N 2 1 361.530 3.433 20 0 FGADMP CSCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165885383 496672025 /nfs/dbraw/zinc/67/20/25/496672025.db2.gz OMVXPZGKKGMLGW-IBGZPJMESA-N 2 1 363.571 3.148 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000179092931 496672353 /nfs/dbraw/zinc/67/23/53/496672353.db2.gz GDQRNDUHTJCVHH-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000179092931 496672356 /nfs/dbraw/zinc/67/23/56/496672356.db2.gz GDQRNDUHTJCVHH-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)cc1 ZINC000179092931 496672361 /nfs/dbraw/zinc/67/23/61/496672361.db2.gz GDQRNDUHTJCVHH-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000154074954 496675132 /nfs/dbraw/zinc/67/51/32/496675132.db2.gz ABDMHSDFPPGOFG-YJBOKZPZSA-N 2 1 366.933 3.327 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166147474 496678156 /nfs/dbraw/zinc/67/81/56/496678156.db2.gz NLBFGUNKTLZAHL-IRLDBZIGSA-N 2 1 359.558 3.162 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176100968 496682951 /nfs/dbraw/zinc/68/29/51/496682951.db2.gz YURUXXHLPVLDOG-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000166375511 496685121 /nfs/dbraw/zinc/68/51/21/496685121.db2.gz JPDQFTWDMSDFSN-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179158143 496696883 /nfs/dbraw/zinc/69/68/83/496696883.db2.gz PDFBQKLNRGBOAU-RTWAWAEBSA-N 2 1 372.557 3.387 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000182186715 496701667 /nfs/dbraw/zinc/70/16/67/496701667.db2.gz OSSYWKASULIJAE-VYDXJSESSA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000182186715 496701672 /nfs/dbraw/zinc/70/16/72/496701672.db2.gz OSSYWKASULIJAE-VYDXJSESSA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000182186715 496701675 /nfs/dbraw/zinc/70/16/75/496701675.db2.gz OSSYWKASULIJAE-VYDXJSESSA-N 2 1 374.447 3.107 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000167546604 496702978 /nfs/dbraw/zinc/70/29/78/496702978.db2.gz BQUKQVOTBIUDBL-LVCYWYKZSA-N 2 1 357.542 3.182 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC12CCOCC2 ZINC000574814217 505861112 /nfs/dbraw/zinc/86/11/12/505861112.db2.gz DOHQUENGZLDFSV-GOSISDBHSA-N 2 1 353.466 3.061 20 0 FGADMP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000168706732 496712243 /nfs/dbraw/zinc/71/22/43/496712243.db2.gz ZVZSKLIPLNJNEK-RCZSKKKRSA-N 2 1 365.521 3.303 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182274104 496724814 /nfs/dbraw/zinc/72/48/14/496724814.db2.gz SQRCCZXJMJQQMV-AOMKIAJQSA-N 2 1 367.493 3.062 20 0 FGADMP COc1ccc(C[C@@H](C)C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1F ZINC000185300797 496726225 /nfs/dbraw/zinc/72/62/25/496726225.db2.gz WJXWZLBCYJDBTJ-QGZVFWFLSA-N 2 1 366.521 3.492 20 0 FGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000188375482 496768834 /nfs/dbraw/zinc/76/88/34/496768834.db2.gz SDSXCZMVDOZKIL-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268751000 496773463 /nfs/dbraw/zinc/77/34/63/496773463.db2.gz HRNLSBPDPVAETF-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268751000 496773468 /nfs/dbraw/zinc/77/34/68/496773468.db2.gz HRNLSBPDPVAETF-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC1 ZINC000191476195 496776061 /nfs/dbraw/zinc/77/60/61/496776061.db2.gz QOXAVSDVJBVKTQ-HXUWFJFHSA-N 2 1 373.541 3.011 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000268784711 496785356 /nfs/dbraw/zinc/78/53/56/496785356.db2.gz JVVMSZKXDHIXSK-VQIMIIECSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000268784711 496785361 /nfs/dbraw/zinc/78/53/61/496785361.db2.gz JVVMSZKXDHIXSK-VQIMIIECSA-N 2 1 352.482 3.154 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191508058 496790128 /nfs/dbraw/zinc/79/01/28/496790128.db2.gz HCBMGJJZUMGWCU-GOSISDBHSA-N 2 1 350.528 3.323 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000247190448 496802337 /nfs/dbraw/zinc/80/23/37/496802337.db2.gz VTEOPPWOOYDSEC-FGTMMUONSA-N 2 1 356.518 3.071 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000268862738 496807601 /nfs/dbraw/zinc/80/76/01/496807601.db2.gz KBMQGPUXMLGCLB-HOTGVXAUSA-N 2 1 352.486 3.376 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC[C@H]3CCOC3)CC2)c1C ZINC000580919817 505868279 /nfs/dbraw/zinc/86/82/79/505868279.db2.gz XPXJEMRSLNPZPV-SFHVURJKSA-N 2 1 361.530 3.030 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC[C@H]3CCOC3)CC2)c1C ZINC000580919817 505868281 /nfs/dbraw/zinc/86/82/81/505868281.db2.gz XPXJEMRSLNPZPV-SFHVURJKSA-N 2 1 361.530 3.030 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000268957350 496834798 /nfs/dbraw/zinc/83/47/98/496834798.db2.gz VYYAEKALLCJQIR-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000268957350 496834804 /nfs/dbraw/zinc/83/48/04/496834804.db2.gz VYYAEKALLCJQIR-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000268957350 496834808 /nfs/dbraw/zinc/83/48/08/496834808.db2.gz VYYAEKALLCJQIR-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000268957350 496834812 /nfs/dbraw/zinc/83/48/12/496834812.db2.gz VYYAEKALLCJQIR-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962068 496835996 /nfs/dbraw/zinc/83/59/96/496835996.db2.gz XOKKZMSTAPIUNA-VOQZNFBZSA-N 2 1 354.494 3.229 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368144 496845395 /nfs/dbraw/zinc/84/53/95/496845395.db2.gz OZGCEEPQXLMEGO-PZJWPPBQSA-N 2 1 372.557 3.101 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000247398046 496850522 /nfs/dbraw/zinc/85/05/22/496850522.db2.gz QZOPIRSLSXOAMX-LQWHRVPQSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000247398046 496850529 /nfs/dbraw/zinc/85/05/29/496850529.db2.gz QZOPIRSLSXOAMX-LQWHRVPQSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000247398046 496850532 /nfs/dbraw/zinc/85/05/32/496850532.db2.gz QZOPIRSLSXOAMX-LQWHRVPQSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000580941376 505873342 /nfs/dbraw/zinc/87/33/42/505873342.db2.gz FMGZDZVAAYKUEU-ZWKOTPCHSA-N 2 1 372.557 3.187 20 0 FGADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247944325 496930509 /nfs/dbraw/zinc/93/05/09/496930509.db2.gz DIAYOJOJEGRFMR-QFBILLFUSA-N 2 1 369.509 3.390 20 0 FGADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247944325 496930515 /nfs/dbraw/zinc/93/05/15/496930515.db2.gz DIAYOJOJEGRFMR-QFBILLFUSA-N 2 1 369.509 3.390 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000247952611 496932748 /nfs/dbraw/zinc/93/27/48/496932748.db2.gz FDTIPNDLBLZBJC-CABCVRRESA-N 2 1 360.420 3.473 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247960504 496933382 /nfs/dbraw/zinc/93/33/82/496933382.db2.gz GDOOZTSYRQKHEX-IJEWVQPXSA-N 2 1 367.440 3.031 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039164 496946660 /nfs/dbraw/zinc/94/66/60/496946660.db2.gz SGXUIDXCGBKIAF-FRFSOERESA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039164 496946668 /nfs/dbraw/zinc/94/66/68/496946668.db2.gz SGXUIDXCGBKIAF-FRFSOERESA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039164 496946674 /nfs/dbraw/zinc/94/66/74/496946674.db2.gz SGXUIDXCGBKIAF-FRFSOERESA-N 2 1 373.324 3.149 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248156826 496965978 /nfs/dbraw/zinc/96/59/78/496965978.db2.gz RMHJQXSILGVMEI-UTKZUKDTSA-N 2 1 356.514 3.068 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248156826 496965985 /nfs/dbraw/zinc/96/59/85/496965985.db2.gz RMHJQXSILGVMEI-UTKZUKDTSA-N 3 1 356.514 3.068 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248156826 496965990 /nfs/dbraw/zinc/96/59/90/496965990.db2.gz RMHJQXSILGVMEI-UTKZUKDTSA-N 3 1 356.514 3.068 20 0 FGADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393255 496992560 /nfs/dbraw/zinc/99/25/60/496992560.db2.gz DSTWPSHZINTRRL-FBBABVLZSA-N 2 1 372.557 3.242 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115060 497013238 /nfs/dbraw/zinc/01/32/38/497013238.db2.gz HWSSMOXJIPXPKE-GUYCJALGSA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115060 497013241 /nfs/dbraw/zinc/01/32/41/497013241.db2.gz HWSSMOXJIPXPKE-GUYCJALGSA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115060 497013243 /nfs/dbraw/zinc/01/32/43/497013243.db2.gz HWSSMOXJIPXPKE-GUYCJALGSA-N 2 1 371.294 3.383 20 0 FGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248456965 497017471 /nfs/dbraw/zinc/01/74/71/497017471.db2.gz SQRCCZXJMJQQMV-OPAMFIHVSA-N 2 1 367.493 3.062 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213746 505880276 /nfs/dbraw/zinc/88/02/76/505880276.db2.gz AYOXUFVFSYGOEH-HOTGVXAUSA-N 2 1 374.447 3.013 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278357823 497085844 /nfs/dbraw/zinc/08/58/44/497085844.db2.gz INDNZCQMMCMACU-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278357823 497085847 /nfs/dbraw/zinc/08/58/47/497085847.db2.gz INDNZCQMMCMACU-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[C@@H](C)C1 ZINC000248735006 497092437 /nfs/dbraw/zinc/09/24/37/497092437.db2.gz KPOSKXDUMGEBTJ-DOPJRALCSA-N 2 1 367.896 3.247 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000248748827 497097541 /nfs/dbraw/zinc/09/75/41/497097541.db2.gz FWIPREUFWVGEOJ-MSOLQXFVSA-N 2 1 356.514 3.423 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000248748827 497097543 /nfs/dbraw/zinc/09/75/43/497097543.db2.gz FWIPREUFWVGEOJ-MSOLQXFVSA-N 2 1 356.514 3.423 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270360527 497110224 /nfs/dbraw/zinc/11/02/24/497110224.db2.gz RLKZQPCNTKKZNA-NRFANRHFSA-N 2 1 372.557 3.012 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000248820929 497110660 /nfs/dbraw/zinc/11/06/60/497110660.db2.gz FOEOGXZMWVYJJG-GHTZIAJQSA-N 2 1 364.493 3.156 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000278470068 497125095 /nfs/dbraw/zinc/12/50/95/497125095.db2.gz NPWDPPZMWQFJTG-UHFFFAOYSA-N 3 1 359.533 3.297 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000248882811 497125218 /nfs/dbraw/zinc/12/52/18/497125218.db2.gz RUWDVHWIYFWMRZ-IEBWSBKVSA-N 2 1 354.498 3.033 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000248882811 497125223 /nfs/dbraw/zinc/12/52/23/497125223.db2.gz RUWDVHWIYFWMRZ-IEBWSBKVSA-N 2 1 354.498 3.033 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248887551 497126747 /nfs/dbraw/zinc/12/67/47/497126747.db2.gz QVHXCOAZDLSQSL-FGZHOGPDSA-N 2 1 363.505 3.272 20 0 FGADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236723019 497138116 /nfs/dbraw/zinc/13/81/16/497138116.db2.gz IGIWDCYRJGVXNG-MOPGFXCFSA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236723019 497138119 /nfs/dbraw/zinc/13/81/19/497138119.db2.gz IGIWDCYRJGVXNG-MOPGFXCFSA-N 2 1 371.550 3.337 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000192537041 497143936 /nfs/dbraw/zinc/14/39/36/497143936.db2.gz XRKOHLGXBLCGHV-BPAFIMBUSA-N 2 1 357.523 3.121 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000236791275 497146141 /nfs/dbraw/zinc/14/61/41/497146141.db2.gz ANQPZCJLAPSWDM-GOSISDBHSA-N 2 1 371.447 3.075 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000574949076 505889248 /nfs/dbraw/zinc/88/92/48/505889248.db2.gz GQCANDHXEMNFBS-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000249169625 497177835 /nfs/dbraw/zinc/17/78/35/497177835.db2.gz APGJQGGMMYPFKC-PGRDOPGGSA-N 2 1 360.542 3.450 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000249208288 497181221 /nfs/dbraw/zinc/18/12/21/497181221.db2.gz WXMWLUYFQOMFQG-LNLFQRSKSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000249208288 497181222 /nfs/dbraw/zinc/18/12/22/497181222.db2.gz WXMWLUYFQOMFQG-LNLFQRSKSA-N 2 1 352.544 3.162 20 0 FGADMP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905871 497196059 /nfs/dbraw/zinc/19/60/59/497196059.db2.gz MDWWYBIXORAJJE-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249393338 497197134 /nfs/dbraw/zinc/19/71/34/497197134.db2.gz SCLRCRBVANOLMM-FGTMMUONSA-N 2 1 356.432 3.464 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000274916237 497198383 /nfs/dbraw/zinc/19/83/83/497198383.db2.gz VZIIUPSHJQYOKG-KRWDZBQOSA-N 2 1 355.486 3.128 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000274916237 497198387 /nfs/dbraw/zinc/19/83/87/497198387.db2.gz VZIIUPSHJQYOKG-KRWDZBQOSA-N 2 1 355.486 3.128 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961394 497206533 /nfs/dbraw/zinc/20/65/33/497206533.db2.gz WSGGYQVNTZRKAU-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237269005 497213387 /nfs/dbraw/zinc/21/33/87/497213387.db2.gz UEGFUGIRHZZXIB-OTYNDTSQSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574963126 505892188 /nfs/dbraw/zinc/89/21/88/505892188.db2.gz ZXPMNIPBCRAIMU-TYPHKJRUSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237365721 497226829 /nfs/dbraw/zinc/22/68/29/497226829.db2.gz ZMVYGXUBSUSSEE-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237446338 497237574 /nfs/dbraw/zinc/23/75/74/497237574.db2.gz MVHPSMMACCUKDU-SQGPQFPESA-N 2 1 371.550 3.412 20 0 FGADMP c1csc(N2CCC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000192935105 497251256 /nfs/dbraw/zinc/25/12/56/497251256.db2.gz BXQHCFAOAZDTMA-GOSISDBHSA-N 2 1 356.539 3.224 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CC[NH2+]CC1 ZINC000237534999 497252282 /nfs/dbraw/zinc/25/22/82/497252282.db2.gz IDXJVJKPZFBORT-MRXNPFEDSA-N 2 1 361.555 3.200 20 0 FGADMP C[C@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237548640 497253819 /nfs/dbraw/zinc/25/38/19/497253819.db2.gz CZAVHICKYMDICK-GHTZIAJQSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCSCC1 ZINC000250090565 497260391 /nfs/dbraw/zinc/26/03/91/497260391.db2.gz QCXCALBGDMPHQR-NQIIRXRSSA-N 2 1 361.599 3.487 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000237671681 497274050 /nfs/dbraw/zinc/27/40/50/497274050.db2.gz JNOALMZWHSKYBZ-AVRDEDQJSA-N 2 1 365.521 3.277 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237753516 497287623 /nfs/dbraw/zinc/28/76/23/497287623.db2.gz WVKAOYFRBJDFLA-IBGZPJMESA-N 2 1 373.516 3.028 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000279011254 497302933 /nfs/dbraw/zinc/30/29/33/497302933.db2.gz SXIMAJHVAPSHPR-HUUCEWRRSA-N 2 1 353.470 3.080 20 0 FGADMP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237890630 497308341 /nfs/dbraw/zinc/30/83/41/497308341.db2.gz JMYVXIDRLQATOM-APWZRJJASA-N 2 1 357.523 3.166 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)cc1OC ZINC000572136050 505898375 /nfs/dbraw/zinc/89/83/75/505898375.db2.gz UTLGQAMXVGZKIU-UHFFFAOYSA-N 2 1 360.502 3.046 20 0 FGADMP [NH3+][C@H](CCC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237918263 497313868 /nfs/dbraw/zinc/31/38/68/497313868.db2.gz GWQWTCASMSREDI-OAQYLSRUSA-N 2 1 351.494 3.031 20 0 FGADMP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237940975 497317424 /nfs/dbraw/zinc/31/74/24/497317424.db2.gz PJFXMQSYCUEBRX-IRLDBZIGSA-N 2 1 365.521 3.147 20 0 FGADMP COCCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccncc1 ZINC000578263970 505900169 /nfs/dbraw/zinc/90/01/69/505900169.db2.gz BXHNCFIQTBBTFK-UHFFFAOYSA-N 2 1 351.454 3.009 20 0 FGADMP COCCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccncc1 ZINC000578263970 505900173 /nfs/dbraw/zinc/90/01/73/505900173.db2.gz BXHNCFIQTBBTFK-UHFFFAOYSA-N 2 1 351.454 3.009 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279178390 497358923 /nfs/dbraw/zinc/35/89/23/497358923.db2.gz JYYHCQSKBXRGEJ-TYPHKJRUSA-N 2 1 357.542 3.087 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279178390 497358927 /nfs/dbraw/zinc/35/89/27/497358927.db2.gz JYYHCQSKBXRGEJ-TYPHKJRUSA-N 2 1 357.542 3.087 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279178390 497358934 /nfs/dbraw/zinc/35/89/34/497358934.db2.gz JYYHCQSKBXRGEJ-TYPHKJRUSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275634728 497389543 /nfs/dbraw/zinc/38/95/43/497389543.db2.gz SOQJGFDZTQLUAH-CVEARBPZSA-N 2 1 374.916 3.126 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000245411144 497391712 /nfs/dbraw/zinc/39/17/12/497391712.db2.gz VKAQBLLTDCQTRJ-HRAATJIYSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000245411144 497391717 /nfs/dbraw/zinc/39/17/17/497391717.db2.gz VKAQBLLTDCQTRJ-HRAATJIYSA-N 2 1 361.505 3.198 20 0 FGADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@H]1c1ccccc1 ZINC000245408027 497391958 /nfs/dbraw/zinc/39/19/58/497391958.db2.gz FFUIKDPLJVZFBU-SIKLNZKXSA-N 2 1 371.569 3.491 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550187 497411307 /nfs/dbraw/zinc/41/13/07/497411307.db2.gz CBJZRYVRKBAFKE-RHSMWYFYSA-N 2 1 355.320 3.193 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728555 497414919 /nfs/dbraw/zinc/41/49/19/497414919.db2.gz ZOTCEWDBMAQDMQ-VMXMFDLUSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728555 497414921 /nfs/dbraw/zinc/41/49/21/497414921.db2.gz ZOTCEWDBMAQDMQ-VMXMFDLUSA-N 2 1 368.525 3.283 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261758315 497445583 /nfs/dbraw/zinc/44/55/83/497445583.db2.gz FQUKMYIFAUHTDG-ICSRJNTNSA-N 2 1 357.542 3.064 20 0 FGADMP Brc1cccc(N[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261803615 497454360 /nfs/dbraw/zinc/45/43/60/497454360.db2.gz HDRFFDRICADAHM-KRWDZBQOSA-N 2 1 352.320 3.325 20 0 FGADMP CCN1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245580062 497464276 /nfs/dbraw/zinc/46/42/76/497464276.db2.gz GSISTPGQCXZWNK-SJLPKXTDSA-N 2 1 355.885 3.071 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245675847 497497070 /nfs/dbraw/zinc/49/70/70/497497070.db2.gz IAJOBBVJASMDIO-KOUNCHBCSA-N 2 1 363.505 3.331 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245675847 497497075 /nfs/dbraw/zinc/49/70/75/497497075.db2.gz IAJOBBVJASMDIO-KOUNCHBCSA-N 2 1 363.505 3.331 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(OC2CCCC2)c1 ZINC000262046107 497499263 /nfs/dbraw/zinc/49/92/63/497499263.db2.gz ZCNKOMPNPWGGFY-NJYVYQBISA-N 2 1 374.525 3.263 20 0 FGADMP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110219 497509294 /nfs/dbraw/zinc/50/92/94/497509294.db2.gz KISOCOBDBGDNGA-OAHLLOKOSA-N 2 1 368.506 3.036 20 0 FGADMP C[C@@H](CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000193889882 497512644 /nfs/dbraw/zinc/51/26/44/497512644.db2.gz VKPGONDNOJIHPA-IBGZPJMESA-N 2 1 357.542 3.056 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCS2 ZINC000276200192 497519340 /nfs/dbraw/zinc/51/93/40/497519340.db2.gz YOQZBVIQYGISIY-QYZOEREBSA-N 2 1 362.539 3.200 20 0 FGADMP CC(C)(CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000193929511 497523174 /nfs/dbraw/zinc/52/31/74/497523174.db2.gz MUEMOBOMZWSZJJ-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000193978392 497538077 /nfs/dbraw/zinc/53/80/77/497538077.db2.gz SMRSUIAXGIXQAJ-KRWDZBQOSA-N 2 1 353.304 3.137 20 0 FGADMP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307508 497540553 /nfs/dbraw/zinc/54/05/53/497540553.db2.gz YCHANNRWTKALRP-ZBFHGGJFSA-N 2 1 362.411 3.404 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)CC1 ZINC000276305904 497541100 /nfs/dbraw/zinc/54/11/00/497541100.db2.gz KYSSMUDLATWSGF-OAQYLSRUSA-N 2 1 369.557 3.126 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000245839240 497547652 /nfs/dbraw/zinc/54/76/52/497547652.db2.gz HNSHLVQRSJGSNW-HOTGVXAUSA-N 2 1 372.538 3.424 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000245839240 497547665 /nfs/dbraw/zinc/54/76/65/497547665.db2.gz HNSHLVQRSJGSNW-HOTGVXAUSA-N 2 1 372.538 3.424 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000262467364 497561183 /nfs/dbraw/zinc/56/11/83/497561183.db2.gz WMVCSGDMOVKKFT-NYUBLWNDSA-N 2 1 357.542 3.169 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245901583 497564700 /nfs/dbraw/zinc/56/47/00/497564700.db2.gz DSOVUVYXQCGSSL-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245901583 497564703 /nfs/dbraw/zinc/56/47/03/497564703.db2.gz DSOVUVYXQCGSSL-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245901583 497564707 /nfs/dbraw/zinc/56/47/07/497564707.db2.gz DSOVUVYXQCGSSL-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267535733 497573807 /nfs/dbraw/zinc/57/38/07/497573807.db2.gz VNKNZYPAFIWCAM-PXNSSMCTSA-N 2 1 372.534 3.233 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267535733 497573812 /nfs/dbraw/zinc/57/38/12/497573812.db2.gz VNKNZYPAFIWCAM-PXNSSMCTSA-N 2 1 372.534 3.233 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262676513 497598006 /nfs/dbraw/zinc/59/80/06/497598006.db2.gz SOVBVZNYXKSMGC-NJVDNQLDSA-N 2 1 369.553 3.419 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000246055478 497605711 /nfs/dbraw/zinc/60/57/11/497605711.db2.gz CTRVAXJBDUTKTQ-AEFFLSMTSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246055478 497605718 /nfs/dbraw/zinc/60/57/18/497605718.db2.gz CTRVAXJBDUTKTQ-AEFFLSMTSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246055478 497605723 /nfs/dbraw/zinc/60/57/23/497605723.db2.gz CTRVAXJBDUTKTQ-AEFFLSMTSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246106886 497624023 /nfs/dbraw/zinc/62/40/23/497624023.db2.gz RGKGKSXPKNWGNH-FTRWYGJKSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246106886 497624027 /nfs/dbraw/zinc/62/40/27/497624027.db2.gz RGKGKSXPKNWGNH-FTRWYGJKSA-N 2 1 369.513 3.366 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246107619 497624533 /nfs/dbraw/zinc/62/45/33/497624533.db2.gz ZFRZBGXBWPISGO-UGKGYDQZSA-N 3 1 359.558 3.024 20 0 FGADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246107619 497624536 /nfs/dbraw/zinc/62/45/36/497624536.db2.gz ZFRZBGXBWPISGO-UGKGYDQZSA-N 2 1 359.558 3.024 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739052 497641225 /nfs/dbraw/zinc/64/12/25/497641225.db2.gz AAAGLIDITWXLNE-LAUBAEHRSA-N 2 1 364.493 3.271 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739052 497641229 /nfs/dbraw/zinc/64/12/29/497641229.db2.gz AAAGLIDITWXLNE-LAUBAEHRSA-N 2 1 364.493 3.271 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000572229117 505920027 /nfs/dbraw/zinc/92/00/27/505920027.db2.gz CRBQSPWGPZENHZ-QEJZJMRPSA-N 2 1 367.287 3.140 20 0 FGADMP C[NH+](C)[C@@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)c1ccccc1 ZINC000262924758 497657103 /nfs/dbraw/zinc/65/71/03/497657103.db2.gz FJKRHGXAWZKIDW-MRXNPFEDSA-N 2 1 351.372 3.406 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565376 497664115 /nfs/dbraw/zinc/66/41/15/497664115.db2.gz SNNPKMUFTSHWDT-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565376 497664119 /nfs/dbraw/zinc/66/41/19/497664119.db2.gz SNNPKMUFTSHWDT-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565376 497664122 /nfs/dbraw/zinc/66/41/22/497664122.db2.gz SNNPKMUFTSHWDT-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP Brc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246230466 497669634 /nfs/dbraw/zinc/66/96/34/497669634.db2.gz MNLAGGJHHJFRON-JYJNAYRXSA-N 2 1 364.331 3.244 20 0 FGADMP C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246276084 497681111 /nfs/dbraw/zinc/68/11/11/497681111.db2.gz BONMTFYBCXSWGE-KURKYZTESA-N 2 1 363.571 3.339 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000246305686 497689745 /nfs/dbraw/zinc/68/97/45/497689745.db2.gz AVCBMFKXXFJFRC-FPOVZHCZSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000246305686 497689749 /nfs/dbraw/zinc/68/97/49/497689749.db2.gz AVCBMFKXXFJFRC-FPOVZHCZSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000246305686 497689753 /nfs/dbraw/zinc/68/97/53/497689753.db2.gz AVCBMFKXXFJFRC-FPOVZHCZSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000246305686 497689757 /nfs/dbraw/zinc/68/97/57/497689757.db2.gz AVCBMFKXXFJFRC-FPOVZHCZSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000246305665 497689783 /nfs/dbraw/zinc/68/97/83/497689783.db2.gz AVCBMFKXXFJFRC-CTNGQTDRSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000246305665 497689787 /nfs/dbraw/zinc/68/97/87/497689787.db2.gz AVCBMFKXXFJFRC-CTNGQTDRSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000246305665 497689792 /nfs/dbraw/zinc/68/97/92/497689792.db2.gz AVCBMFKXXFJFRC-CTNGQTDRSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000246305665 497689794 /nfs/dbraw/zinc/68/97/94/497689794.db2.gz AVCBMFKXXFJFRC-CTNGQTDRSA-N 2 1 372.557 3.053 20 0 FGADMP c1csc(N2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000272662274 497694092 /nfs/dbraw/zinc/69/40/92/497694092.db2.gz IEHNVUHRXYJAER-UHFFFAOYSA-N 2 1 356.539 3.150 20 0 FGADMP c1csc(N2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000272662274 497694095 /nfs/dbraw/zinc/69/40/95/497694095.db2.gz IEHNVUHRXYJAER-UHFFFAOYSA-N 2 1 356.539 3.150 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330552 497697357 /nfs/dbraw/zinc/69/73/57/497697357.db2.gz IAMUQEWUXGMEGH-QWFCFKBJSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330552 497697362 /nfs/dbraw/zinc/69/73/62/497697362.db2.gz IAMUQEWUXGMEGH-QWFCFKBJSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330552 497697368 /nfs/dbraw/zinc/69/73/68/497697368.db2.gz IAMUQEWUXGMEGH-QWFCFKBJSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330552 497697373 /nfs/dbraw/zinc/69/73/73/497697373.db2.gz IAMUQEWUXGMEGH-QWFCFKBJSA-N 2 1 364.505 3.152 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246350721 497705259 /nfs/dbraw/zinc/70/52/59/497705259.db2.gz FZEYJJJAKZPSIQ-OWCLPIDISA-N 2 1 373.324 3.292 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246350721 497705264 /nfs/dbraw/zinc/70/52/64/497705264.db2.gz FZEYJJJAKZPSIQ-OWCLPIDISA-N 2 1 373.324 3.292 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246350721 497705269 /nfs/dbraw/zinc/70/52/69/497705269.db2.gz FZEYJJJAKZPSIQ-OWCLPIDISA-N 2 1 373.324 3.292 20 0 FGADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc([C@H](C)OCC(C)C)no1 ZINC000277036028 497722789 /nfs/dbraw/zinc/72/27/89/497722789.db2.gz BMGCAUWQBJDKJE-INIZCTEOSA-N 2 1 363.506 3.474 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246410235 497724582 /nfs/dbraw/zinc/72/45/82/497724582.db2.gz KWYAFTINXINSQT-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246410235 497724584 /nfs/dbraw/zinc/72/45/84/497724584.db2.gz KWYAFTINXINSQT-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246410235 497724587 /nfs/dbraw/zinc/72/45/87/497724587.db2.gz KWYAFTINXINSQT-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP CCOc1ccccc1NC(=O)CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246429965 497731712 /nfs/dbraw/zinc/73/17/12/497731712.db2.gz CNVBOAPGLDNYMH-FXAWDEMLSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246429965 497731716 /nfs/dbraw/zinc/73/17/16/497731716.db2.gz CNVBOAPGLDNYMH-FXAWDEMLSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246429965 497731734 /nfs/dbraw/zinc/73/17/34/497731734.db2.gz CNVBOAPGLDNYMH-FXAWDEMLSA-N 2 1 371.525 3.363 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000263263616 497744493 /nfs/dbraw/zinc/74/44/93/497744493.db2.gz GVKBUPPPUAPQCX-KRWDZBQOSA-N 2 1 371.456 3.014 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194753379 497759630 /nfs/dbraw/zinc/75/96/30/497759630.db2.gz WTFOYZWPKZIXMX-IBGZPJMESA-N 2 1 354.498 3.035 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194753379 497759634 /nfs/dbraw/zinc/75/96/34/497759634.db2.gz WTFOYZWPKZIXMX-IBGZPJMESA-N 2 1 354.498 3.035 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000246514665 497760314 /nfs/dbraw/zinc/76/03/14/497760314.db2.gz XEMWTYFLWUBNHA-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cc(OC)ccn2)CC1 ZINC000273004169 497783010 /nfs/dbraw/zinc/78/30/10/497783010.db2.gz AAYPIPMLGFAQAK-MRXNPFEDSA-N 2 1 372.488 3.222 20 0 FGADMP CC[C@H](NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000246591838 497783965 /nfs/dbraw/zinc/78/39/65/497783965.db2.gz FVEWMESERVZEFP-JLSDUUJJSA-N 2 1 351.922 3.322 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000246707074 497802312 /nfs/dbraw/zinc/80/23/12/497802312.db2.gz FMBIRSYAFBMERJ-PZJWPPBQSA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000246707074 497802313 /nfs/dbraw/zinc/80/23/13/497802313.db2.gz FMBIRSYAFBMERJ-PZJWPPBQSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000246707074 497802314 /nfs/dbraw/zinc/80/23/14/497802314.db2.gz FMBIRSYAFBMERJ-PZJWPPBQSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000246707074 497802315 /nfs/dbraw/zinc/80/23/15/497802315.db2.gz FMBIRSYAFBMERJ-PZJWPPBQSA-N 2 1 355.526 3.156 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000578402799 505930925 /nfs/dbraw/zinc/93/09/25/505930925.db2.gz LESKYBMVNXPHII-RBUKOAKNSA-N 2 1 374.573 3.297 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000578402799 505930929 /nfs/dbraw/zinc/93/09/29/505930929.db2.gz LESKYBMVNXPHII-RBUKOAKNSA-N 2 1 374.573 3.297 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C12CCOCC2 ZINC000364234202 497852424 /nfs/dbraw/zinc/85/24/24/497852424.db2.gz BNYCVMHRYMSLMV-BURNTYAHSA-N 2 1 358.526 3.243 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000292058433 497860332 /nfs/dbraw/zinc/86/03/32/497860332.db2.gz JXAGBKOJJRCGTM-QAPCUYQASA-N 2 1 371.447 3.075 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462523 505945528 /nfs/dbraw/zinc/94/55/28/505945528.db2.gz PJJUUFARCUZQNX-QHCPKHFHSA-N 2 1 371.569 3.140 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462523 505945533 /nfs/dbraw/zinc/94/55/33/505945533.db2.gz PJJUUFARCUZQNX-QHCPKHFHSA-N 3 1 371.569 3.140 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462523 505945538 /nfs/dbraw/zinc/94/55/38/505945538.db2.gz PJJUUFARCUZQNX-QHCPKHFHSA-N 3 1 371.569 3.140 20 0 FGADMP CN(C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000281095075 498018091 /nfs/dbraw/zinc/01/80/91/498018091.db2.gz VMDKBFDICGMVMN-UHFFFAOYSA-N 2 1 359.558 3.130 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000281095075 498018095 /nfs/dbraw/zinc/01/80/95/498018095.db2.gz VMDKBFDICGMVMN-UHFFFAOYSA-N 3 1 359.558 3.130 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000281095075 498018100 /nfs/dbraw/zinc/01/81/00/498018100.db2.gz VMDKBFDICGMVMN-UHFFFAOYSA-N 3 1 359.558 3.130 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000575342950 505965053 /nfs/dbraw/zinc/96/50/53/505965053.db2.gz ZELCPNBDAYLUOR-TZWRJOPASA-N 2 1 355.526 3.173 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000581340094 505965225 /nfs/dbraw/zinc/96/52/25/505965225.db2.gz DOUBVKZKGPCQPH-YPAWHYETSA-N 2 1 352.526 3.243 20 0 FGADMP CC(C)O[C@@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000292551743 498057257 /nfs/dbraw/zinc/05/72/57/498057257.db2.gz QXKUVTCCKQSCGR-VXKWHMMOSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000292551743 498057263 /nfs/dbraw/zinc/05/72/63/498057263.db2.gz QXKUVTCCKQSCGR-VXKWHMMOSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000292551743 498057269 /nfs/dbraw/zinc/05/72/69/498057269.db2.gz QXKUVTCCKQSCGR-VXKWHMMOSA-N 2 1 359.558 3.255 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000289272029 498086205 /nfs/dbraw/zinc/08/62/05/498086205.db2.gz PHMDDLRDGPDCSK-JTSKRJEESA-N 2 1 363.505 3.412 20 0 FGADMP Fc1cncc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)c1 ZINC000281316518 498101922 /nfs/dbraw/zinc/10/19/22/498101922.db2.gz SFWPTPIPPOHUDG-NRFANRHFSA-N 2 1 355.457 3.294 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342333 498112671 /nfs/dbraw/zinc/11/26/71/498112671.db2.gz XCBIKTZSPBJKNV-RBUKOAKNSA-N 2 1 359.514 3.361 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633188 505985500 /nfs/dbraw/zinc/98/55/00/505985500.db2.gz GBYQOEROLRMUSX-IRLDBZIGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578633188 505985503 /nfs/dbraw/zinc/98/55/03/505985503.db2.gz GBYQOEROLRMUSX-IRLDBZIGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000578633188 505985506 /nfs/dbraw/zinc/98/55/06/505985506.db2.gz GBYQOEROLRMUSX-IRLDBZIGSA-N 2 1 372.557 3.071 20 0 FGADMP O[C@H](CNc1cc[nH+]c2cc(F)ccc12)C[N@H+]1CCc2ccccc2C1 ZINC000301526824 498148055 /nfs/dbraw/zinc/14/80/55/498148055.db2.gz NRVGFKHNGPFTSD-GOSISDBHSA-N 2 1 351.425 3.205 20 0 FGADMP CC[NH+](Cc1cncc(C[N@@H+](CC)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000569674122 505989983 /nfs/dbraw/zinc/98/99/83/505989983.db2.gz WAYAWBUNOIUXRB-SFTDATJTSA-N 2 1 361.530 3.083 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532549 505991031 /nfs/dbraw/zinc/99/10/31/505991031.db2.gz UCOVTUZURLPQQY-KURKYZTESA-N 2 1 371.525 3.302 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532549 505991032 /nfs/dbraw/zinc/99/10/32/505991032.db2.gz UCOVTUZURLPQQY-KURKYZTESA-N 2 1 371.525 3.302 20 0 FGADMP COCc1noc([C@@H](C)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000364877296 498188346 /nfs/dbraw/zinc/18/83/46/498188346.db2.gz FDFVDHYTMSBVAO-QGZVFWFLSA-N 2 1 370.497 3.265 20 0 FGADMP Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cnn1C(C)(C)C ZINC000364919243 498209336 /nfs/dbraw/zinc/20/93/36/498209336.db2.gz VAOTUVWZGYBZDG-NDUPCHFUSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cnn1C(C)(C)C ZINC000364919243 498209340 /nfs/dbraw/zinc/20/93/40/498209340.db2.gz VAOTUVWZGYBZDG-NDUPCHFUSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cnn1C(C)(C)C ZINC000364919243 498209345 /nfs/dbraw/zinc/20/93/45/498209345.db2.gz VAOTUVWZGYBZDG-NDUPCHFUSA-N 2 1 362.562 3.487 20 0 FGADMP COc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)ccc1OCc1ccncc1 ZINC000359905198 498228901 /nfs/dbraw/zinc/22/89/01/498228901.db2.gz VEHPRQMHCNPWFH-WOJBJXKFSA-N 2 1 367.493 3.195 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000285906157 498237345 /nfs/dbraw/zinc/23/73/45/498237345.db2.gz CXRVKNIDWOXEPH-VYDXJSESSA-N 2 1 368.543 3.322 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000285906157 498237351 /nfs/dbraw/zinc/23/73/51/498237351.db2.gz CXRVKNIDWOXEPH-VYDXJSESSA-N 2 1 368.543 3.322 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293031215 498241755 /nfs/dbraw/zinc/24/17/55/498241755.db2.gz ROWGTYUQFUZNHY-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293031215 498241762 /nfs/dbraw/zinc/24/17/62/498241762.db2.gz ROWGTYUQFUZNHY-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293031215 498241766 /nfs/dbraw/zinc/24/17/66/498241766.db2.gz ROWGTYUQFUZNHY-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000572590825 506005448 /nfs/dbraw/zinc/00/54/48/506005448.db2.gz OTOHJRXWMIRKFL-PMACEKPBSA-N 2 1 360.542 3.394 20 0 FGADMP FC(F)Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000293097782 498267171 /nfs/dbraw/zinc/26/71/71/498267171.db2.gz WFSYFRYVXZZKPS-AWEZNQCLSA-N 2 1 354.470 3.212 20 0 FGADMP FC(F)Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000293097782 498267176 /nfs/dbraw/zinc/26/71/76/498267176.db2.gz WFSYFRYVXZZKPS-AWEZNQCLSA-N 2 1 354.470 3.212 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000286028783 498271735 /nfs/dbraw/zinc/27/17/35/498271735.db2.gz JAOVTHJKGFQEEA-WBADGQHESA-N 2 1 372.553 3.054 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286030016 498272022 /nfs/dbraw/zinc/27/20/22/498272022.db2.gz KCPMTBKTEHDHFP-GOSISDBHSA-N 2 1 372.431 3.473 20 0 FGADMP CC(C)=CCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365067375 498281808 /nfs/dbraw/zinc/28/18/08/498281808.db2.gz TXXSUWRPTDQBSI-UHFFFAOYSA-N 2 1 364.578 3.180 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000365082316 498288418 /nfs/dbraw/zinc/28/84/18/498288418.db2.gz JVAWZHHRTZUXHN-YPMHNXCESA-N 2 1 367.280 3.430 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C[C@H](C)O1 ZINC000360696806 498298881 /nfs/dbraw/zinc/29/88/81/498298881.db2.gz FKJIFQMYQZATLC-DAYGRLMNSA-N 2 1 363.477 3.078 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581551800 506013698 /nfs/dbraw/zinc/01/36/98/506013698.db2.gz ZUIZUJNXXWFMML-IBGZPJMESA-N 2 1 357.542 3.033 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000289841982 498319920 /nfs/dbraw/zinc/31/99/20/498319920.db2.gz AXRRRGVHWXALQX-INIZCTEOSA-N 2 1 370.497 3.221 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200877 498322822 /nfs/dbraw/zinc/32/28/22/498322822.db2.gz XYFASAARHMUKSC-HSZRJFAPSA-N 2 1 371.569 3.085 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000581575495 506018006 /nfs/dbraw/zinc/01/80/06/506018006.db2.gz RSRYLNPCGWGIOH-AWEZNQCLSA-N 2 1 360.454 3.048 20 0 FGADMP C[C@@H](c1nnnn1C1CC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293332093 498349306 /nfs/dbraw/zinc/34/93/06/498349306.db2.gz MSJZYWAEOCDBGV-KRWDZBQOSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@@H](c1nnnn1C1CC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293332093 498349309 /nfs/dbraw/zinc/34/93/09/498349309.db2.gz MSJZYWAEOCDBGV-KRWDZBQOSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@H](c1nnnn1C1CC1)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293332101 498349315 /nfs/dbraw/zinc/34/93/15/498349315.db2.gz MSJZYWAEOCDBGV-QGZVFWFLSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@H](c1nnnn1C1CC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293332101 498349317 /nfs/dbraw/zinc/34/93/17/498349317.db2.gz MSJZYWAEOCDBGV-QGZVFWFLSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811164 506021851 /nfs/dbraw/zinc/02/18/51/506021851.db2.gz NUVDQCDXAHRXCR-ZYOFANERSA-N 2 1 365.521 3.337 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000575874100 506022825 /nfs/dbraw/zinc/02/28/25/506022825.db2.gz OXFUYYWBPXXMPZ-DLBZAZTESA-N 2 1 364.530 3.034 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000575874100 506022830 /nfs/dbraw/zinc/02/28/30/506022830.db2.gz OXFUYYWBPXXMPZ-DLBZAZTESA-N 2 1 364.530 3.034 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101751 498384823 /nfs/dbraw/zinc/38/48/23/498384823.db2.gz IRKSZLAKRBIHRA-GHTZIAJQSA-N 2 1 358.526 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101751 498384827 /nfs/dbraw/zinc/38/48/27/498384827.db2.gz IRKSZLAKRBIHRA-GHTZIAJQSA-N 2 1 358.526 3.346 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297297627 498395895 /nfs/dbraw/zinc/39/58/95/498395895.db2.gz DVYXEKWMYMYJLP-UHFFFAOYSA-N 2 1 365.481 3.174 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000569846272 506029837 /nfs/dbraw/zinc/02/98/37/506029837.db2.gz HQDQXWGNNBYNQP-MOPGFXCFSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1=O ZINC000297363960 498420801 /nfs/dbraw/zinc/42/08/01/498420801.db2.gz HAOTYFHRMVGJLG-MGPUTAFESA-N 2 1 359.489 3.094 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000361720321 498422787 /nfs/dbraw/zinc/42/27/87/498422787.db2.gz XWDBPLWJUKMTAD-SUBGPWMZSA-N 2 1 361.555 3.168 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846614 506035305 /nfs/dbraw/zinc/03/53/05/506035305.db2.gz LFRDXAQXBVQXHA-VAMGGRTRSA-N 3 1 360.546 3.014 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000578904660 506049577 /nfs/dbraw/zinc/04/95/77/506049577.db2.gz QFLOIWJQFDJNKZ-NRFANRHFSA-N 2 1 373.516 3.126 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000365626723 498564214 /nfs/dbraw/zinc/56/42/14/498564214.db2.gz JJZKTBULFMJTHZ-CQSZACIVSA-N 2 1 356.861 3.034 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000365624729 498564591 /nfs/dbraw/zinc/56/45/91/498564591.db2.gz DYYOBONCVDOBJH-NRFANRHFSA-N 2 1 366.509 3.486 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282590168 498572546 /nfs/dbraw/zinc/57/25/46/498572546.db2.gz ALCKXIZHCXEBEJ-OAQYLSRUSA-N 2 1 369.553 3.278 20 0 FGADMP NC(=O)c1csc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000294088049 498584727 /nfs/dbraw/zinc/58/47/27/498584727.db2.gz ZLHLFALWWOUOQP-UHFFFAOYSA-N 2 1 369.534 3.335 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000297918414 498608879 /nfs/dbraw/zinc/60/88/79/498608879.db2.gz UOVAUTPGEBZXGJ-KRWDZBQOSA-N 2 1 358.530 3.129 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000363041678 498618565 /nfs/dbraw/zinc/61/85/65/498618565.db2.gz WXZDEXRNSPRJIU-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C)c1nc(-c2ccccc2)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000363094559 498645161 /nfs/dbraw/zinc/64/51/61/498645161.db2.gz BZCSHPPAPVLWMJ-OAHLLOKOSA-N 2 1 353.495 3.177 20 0 FGADMP COc1cc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1C ZINC000365806683 498648733 /nfs/dbraw/zinc/64/87/33/498648733.db2.gz QMTSKQSEGBIEDJ-UHFFFAOYSA-N 3 1 359.558 3.290 20 0 FGADMP CC[C@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365841471 498665773 /nfs/dbraw/zinc/66/57/73/498665773.db2.gz PCRAABMJQSEFBH-SFHVURJKSA-N 2 1 364.578 3.014 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccccc1F ZINC000365911468 498696208 /nfs/dbraw/zinc/69/62/08/498696208.db2.gz JMWYFBRGJSKZKP-UHFFFAOYSA-N 2 1 361.505 3.094 20 0 FGADMP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000312851486 498763332 /nfs/dbraw/zinc/76/33/32/498763332.db2.gz GHHKCDAJINKJOQ-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000312851486 498763340 /nfs/dbraw/zinc/76/33/40/498763340.db2.gz GHHKCDAJINKJOQ-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000312851486 498763346 /nfs/dbraw/zinc/76/33/46/498763346.db2.gz GHHKCDAJINKJOQ-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149330 506088120 /nfs/dbraw/zinc/08/81/20/506088120.db2.gz SZFMRPBTZBAQQI-KAGYGMCKSA-N 2 1 360.542 3.009 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000283196869 498813212 /nfs/dbraw/zinc/81/32/12/498813212.db2.gz RCBNUKUCEYLADM-QKNQBKEWSA-N 2 1 369.553 3.391 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000363451992 498829205 /nfs/dbraw/zinc/82/92/05/498829205.db2.gz ZJVDIEPLFGTGOB-OAQYLSRUSA-N 2 1 367.537 3.319 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000332990825 498860519 /nfs/dbraw/zinc/86/05/19/498860519.db2.gz HMXUCZXMFKXPLC-YJBOKZPZSA-N 2 1 358.530 3.155 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000332990825 498860524 /nfs/dbraw/zinc/86/05/24/498860524.db2.gz HMXUCZXMFKXPLC-YJBOKZPZSA-N 2 1 358.530 3.155 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581944284 506096031 /nfs/dbraw/zinc/09/60/31/506096031.db2.gz BEMYCGZYFIXXSF-ACRUOGEOSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1ccnc(-c2noc(CN[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000295057896 498893917 /nfs/dbraw/zinc/89/39/17/498893917.db2.gz VDUMNOKWJBVAOM-CVEARBPZSA-N 2 1 355.486 3.183 20 0 FGADMP Cn1cncc1CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366373676 498898856 /nfs/dbraw/zinc/89/88/56/498898856.db2.gz NBZBCSBEUYZYMV-OXQOHEQNSA-N 2 1 374.916 3.205 20 0 FGADMP C[C@H]([NH+](C)Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091958 498906107 /nfs/dbraw/zinc/90/61/07/498906107.db2.gz FJTFAYAOTWRWNN-GJZGRUSLSA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000579175852 506109673 /nfs/dbraw/zinc/10/96/73/506109673.db2.gz RDNRXVXFDDIIPH-JLSDUUJJSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175852 506109675 /nfs/dbraw/zinc/10/96/75/506109675.db2.gz RDNRXVXFDDIIPH-JLSDUUJJSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175852 506109678 /nfs/dbraw/zinc/10/96/78/506109678.db2.gz RDNRXVXFDDIIPH-JLSDUUJJSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175852 506109681 /nfs/dbraw/zinc/10/96/81/506109681.db2.gz RDNRXVXFDDIIPH-JLSDUUJJSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175852 506109683 /nfs/dbraw/zinc/10/96/83/506109683.db2.gz RDNRXVXFDDIIPH-JLSDUUJJSA-N 2 1 366.937 3.113 20 0 FGADMP [NH3+]C[C@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc2ccccc2c1 ZINC000570188369 506111046 /nfs/dbraw/zinc/11/10/46/506111046.db2.gz GPAAIVMDLDFGMY-IBGZPJMESA-N 2 1 363.465 3.152 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000579186956 506112622 /nfs/dbraw/zinc/11/26/22/506112622.db2.gz SIPAETYRUJBBDL-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ncc(-c2ccccc2F)o1 ZINC000363703761 498951401 /nfs/dbraw/zinc/95/14/01/498951401.db2.gz GIXOUZQURGTSRU-MDZRGWNJSA-N 2 1 373.472 3.460 20 0 FGADMP CC(C)n1ncnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291486321 498960761 /nfs/dbraw/zinc/96/07/61/498960761.db2.gz RWQNLRVMFBLVGS-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP CC(C)n1ncnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291486321 498960771 /nfs/dbraw/zinc/96/07/71/498960771.db2.gz RWQNLRVMFBLVGS-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000363788512 498994320 /nfs/dbraw/zinc/99/43/20/498994320.db2.gz XOUPXEPMJJNGMU-SFHVURJKSA-N 2 1 369.557 3.338 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c[nH+]cn2c1 ZINC000283859735 499001299 /nfs/dbraw/zinc/00/12/99/499001299.db2.gz IJCDRTHTHGVJPN-HNNXBMFYSA-N 2 1 354.479 3.038 20 0 FGADMP CCC(C)(CC)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363829347 499015300 /nfs/dbraw/zinc/01/53/00/499015300.db2.gz PQTSDSSXVLAKSM-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc2nc(C[NH2+]Cc3ccc(OC4CC[NH+](C)CC4)cc3)cn2c1 ZINC000284056270 499039424 /nfs/dbraw/zinc/03/94/24/499039424.db2.gz PQUBTFMSXXJUIE-UHFFFAOYSA-N 2 1 364.493 3.406 20 0 FGADMP Clc1ccc(-c2nc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)co2)cc1 ZINC000333843323 499086800 /nfs/dbraw/zinc/08/68/00/499086800.db2.gz LSBNJDYDTGKJJP-MSOLQXFVSA-N 2 1 373.884 3.195 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000366997015 499131525 /nfs/dbraw/zinc/13/15/25/499131525.db2.gz PXHWQTYTNSRNAJ-APWZRJJASA-N 2 1 362.543 3.154 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366997015 499131528 /nfs/dbraw/zinc/13/15/28/499131528.db2.gz PXHWQTYTNSRNAJ-APWZRJJASA-N 2 1 362.543 3.154 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@]3(C[C@@H]4CC[C@H]3C4)OC(C)(C)C2)CC1 ZINC000367049253 499139644 /nfs/dbraw/zinc/13/96/44/499139644.db2.gz DJGBFNHMFHCEHG-URVUXULASA-N 2 1 363.590 3.072 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367532556 499210003 /nfs/dbraw/zinc/21/00/03/499210003.db2.gz BOGIESDWKMGZTB-ACRUOGEOSA-N 2 1 364.493 3.296 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CCC(C(N)=O)CC2)CC1 ZINC000367614575 499217902 /nfs/dbraw/zinc/21/79/02/499217902.db2.gz HOQZSGAAMLQHOW-UHFFFAOYSA-N 2 1 357.542 3.311 20 0 FGADMP CC(=O)Nc1ccc(C[N@H+](C)C2CCN(Cc3ccncc3)CC2)cc1 ZINC000367671778 499223570 /nfs/dbraw/zinc/22/35/70/499223570.db2.gz QBMTYZHBZXXWBZ-UHFFFAOYSA-N 2 1 352.482 3.136 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226192 /nfs/dbraw/zinc/22/61/92/499226192.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226193 /nfs/dbraw/zinc/22/61/93/499226193.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702033 499226195 /nfs/dbraw/zinc/22/61/95/499226195.db2.gz LNXSFSNLSRMDSI-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP Cc1nnc(N2CCC([NH2+][C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000367832128 499236942 /nfs/dbraw/zinc/23/69/42/499236942.db2.gz PFHHLFYCZYNQFA-GOEBONIOSA-N 2 1 363.575 3.058 20 0 FGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650508 499240004 /nfs/dbraw/zinc/24/00/04/499240004.db2.gz DSPPKHDRHGHFQP-UAFMIMERSA-N 2 1 363.546 3.142 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000370660075 499240945 /nfs/dbraw/zinc/24/09/45/499240945.db2.gz JDUPXVVJKUZORE-FCEUIQTBSA-N 2 1 360.542 3.462 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000370671213 499242613 /nfs/dbraw/zinc/24/26/13/499242613.db2.gz OMRBPXPFNBASDS-TYCQWZJGSA-N 2 1 350.510 3.143 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000370671213 499242615 /nfs/dbraw/zinc/24/26/15/499242615.db2.gz OMRBPXPFNBASDS-TYCQWZJGSA-N 2 1 350.510 3.143 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000367907171 499243983 /nfs/dbraw/zinc/24/39/83/499243983.db2.gz SNRZVZOKARIQAO-MRXNPFEDSA-N 2 1 372.538 3.169 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000368139904 499268557 /nfs/dbraw/zinc/26/85/57/499268557.db2.gz WMMUVIZTZCMFTD-AMGKQAFBSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccccc2)C1 ZINC000368139904 499268558 /nfs/dbraw/zinc/26/85/58/499268558.db2.gz WMMUVIZTZCMFTD-AMGKQAFBSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H]1C ZINC000371071875 499286019 /nfs/dbraw/zinc/28/60/19/499286019.db2.gz FNSGJUGIVHBSIW-QZTJIDSGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H](CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000371086472 499287480 /nfs/dbraw/zinc/28/74/80/499287480.db2.gz LFIPHCRXPONOJD-LJQANCHMSA-N 2 1 371.569 3.493 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H]2C(=O)Nc3ccccc32)CC1 ZINC000371330633 499311335 /nfs/dbraw/zinc/31/13/35/499311335.db2.gz WEADRYBVAPTURR-HXUWFJFHSA-N 2 1 352.482 3.420 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199288 506142033 /nfs/dbraw/zinc/14/20/33/506142033.db2.gz SCQGGGNTUOKMSV-ZWOKBUDYSA-N 2 1 368.949 3.489 20 0 FGADMP O=C(NC[C@H](NCc1ccccc1)c1ccco1)[C@H]1CCCc2[nH+]ccn21 ZINC000368648162 499317196 /nfs/dbraw/zinc/31/71/96/499317196.db2.gz RHUMCVOCDNHSAH-ZWKOTPCHSA-N 2 1 364.449 3.001 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000368651271 499317528 /nfs/dbraw/zinc/31/75/28/499317528.db2.gz UEKVGNILAHALAU-DAWZGUTISA-N 2 1 361.496 3.455 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000368738725 499326938 /nfs/dbraw/zinc/32/69/38/499326938.db2.gz BRTFWIUNKKHKBJ-MDYRTPRTSA-N 2 1 368.525 3.446 20 0 FGADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000368744011 499327489 /nfs/dbraw/zinc/32/74/89/499327489.db2.gz XGAWVZPGECJMBM-ACRUOGEOSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460003 499329770 /nfs/dbraw/zinc/32/97/70/499329770.db2.gz WRQSMLPFOZRALZ-UTKZUKDTSA-N 2 1 350.510 3.397 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460004 499329892 /nfs/dbraw/zinc/32/98/92/499329892.db2.gz WRQSMLPFOZRALZ-UWJYYQICSA-N 2 1 350.510 3.397 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000371491425 499333955 /nfs/dbraw/zinc/33/39/55/499333955.db2.gz PSVXMLJAXYIJRT-GJZGRUSLSA-N 2 1 360.889 3.393 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000371520630 499337289 /nfs/dbraw/zinc/33/72/89/499337289.db2.gz VCSVBLSFLNPOFK-GGAORHGYSA-N 2 1 364.537 3.329 20 0 FGADMP COC1(C[N@@H+](C)CC2(C)CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000368898137 499344330 /nfs/dbraw/zinc/34/43/30/499344330.db2.gz XDIYWOCVSJQPKK-UHFFFAOYSA-N 2 1 360.542 3.416 20 0 FGADMP Cc1ncc(CN2CC[C@H]([NH2+]CCCCn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000368949909 499349583 /nfs/dbraw/zinc/34/95/83/499349583.db2.gz KKPHLALHUMXUBA-BEFAXECRSA-N 2 1 361.559 3.237 20 0 FGADMP COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000371747372 499361117 /nfs/dbraw/zinc/36/11/17/499361117.db2.gz QDIXJJXYUXTGHN-FQEVSTJZSA-N 2 1 373.541 3.130 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000369150389 499371255 /nfs/dbraw/zinc/37/12/55/499371255.db2.gz LFVUHMIWZMRNMF-OAQYLSRUSA-N 2 1 366.509 3.202 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000371985863 499387098 /nfs/dbraw/zinc/38/70/98/499387098.db2.gz WLPIAARBINHVOX-ZTTFOMCMSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000371985863 499387099 /nfs/dbraw/zinc/38/70/99/499387099.db2.gz WLPIAARBINHVOX-ZTTFOMCMSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000371985863 499387101 /nfs/dbraw/zinc/38/71/01/499387101.db2.gz WLPIAARBINHVOX-ZTTFOMCMSA-N 2 1 362.514 3.244 20 0 FGADMP CCn1nc(CNC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c2ccccc21 ZINC000372107164 499399817 /nfs/dbraw/zinc/39/98/17/499399817.db2.gz DLYQWZFBFCLWBM-IBGZPJMESA-N 2 1 363.509 3.453 20 0 FGADMP CCn1nc(CNC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c2ccccc21 ZINC000372107164 499399820 /nfs/dbraw/zinc/39/98/20/499399820.db2.gz DLYQWZFBFCLWBM-IBGZPJMESA-N 2 1 363.509 3.453 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369704246 499437915 /nfs/dbraw/zinc/43/79/15/499437915.db2.gz PJYHJPHRXXIPBM-LJQANCHMSA-N 2 1 352.482 3.397 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1Cc1c[nH]c2ccccc12 ZINC000369704246 499437916 /nfs/dbraw/zinc/43/79/16/499437916.db2.gz PJYHJPHRXXIPBM-LJQANCHMSA-N 2 1 352.482 3.397 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)c3cccc(C)c3)CC2)CC1 ZINC000573219135 506146759 /nfs/dbraw/zinc/14/67/59/506146759.db2.gz ZYIOIFDCYQTDMR-IBGZPJMESA-N 2 1 371.569 3.411 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000373771982 499487214 /nfs/dbraw/zinc/48/72/14/499487214.db2.gz OKHCIORPGHZEBT-HQSKLWIPSA-N 2 1 359.518 3.012 20 0 FGADMP C(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274987 499501978 /nfs/dbraw/zinc/50/19/78/499501978.db2.gz BUKIUBQVARXNJC-NHCUHLMSSA-N 2 1 350.547 3.162 20 0 FGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000378375240 499508652 /nfs/dbraw/zinc/50/86/52/499508652.db2.gz XTSYVMAOMUKPEA-WSTZPKSXSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000378375240 499508653 /nfs/dbraw/zinc/50/86/53/499508653.db2.gz XTSYVMAOMUKPEA-WSTZPKSXSA-N 2 1 362.514 3.168 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000378398541 499512161 /nfs/dbraw/zinc/51/21/61/499512161.db2.gz GKPDMZSHNGMYPZ-ZDFPQIBNSA-N 2 1 374.569 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000378403544 499512969 /nfs/dbraw/zinc/51/29/69/499512969.db2.gz NKCHPAKIXJIKES-BRWVUGGUSA-N 2 1 363.571 3.043 20 0 FGADMP Cc1nc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)c2n1CCCC2 ZINC000378424570 499515470 /nfs/dbraw/zinc/51/54/70/499515470.db2.gz DNFSFGSKQUZESF-INIZCTEOSA-N 2 1 356.514 3.319 20 0 FGADMP Cc1csc(=O)n1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000378465165 499520231 /nfs/dbraw/zinc/52/02/31/499520231.db2.gz FSDGUSMDQXHJIB-ZDUSSCGKSA-N 2 1 360.458 3.202 20 0 FGADMP CC(C)N(C)c1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000375462603 499522239 /nfs/dbraw/zinc/52/22/39/499522239.db2.gz PXXUFTQEWLGFPA-UHFFFAOYSA-N 2 1 360.546 3.001 20 0 FGADMP CC(C)N(C)c1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000375462603 499522240 /nfs/dbraw/zinc/52/22/40/499522240.db2.gz PXXUFTQEWLGFPA-UHFFFAOYSA-N 2 1 360.546 3.001 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2cc(Br)cc(Br)c2)CC1 ZINC000394522596 499561592 /nfs/dbraw/zinc/56/15/92/499561592.db2.gz IYGLVMHLVZGIRJ-UHFFFAOYSA-N 2 1 362.109 3.395 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000378581468 499534241 /nfs/dbraw/zinc/53/42/41/499534241.db2.gz VGWYPROMYIUNMG-SJLPKXTDSA-N 2 1 359.518 3.003 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000378581468 499534242 /nfs/dbraw/zinc/53/42/42/499534242.db2.gz VGWYPROMYIUNMG-SJLPKXTDSA-N 2 1 359.518 3.003 20 0 FGADMP Cc1nn(C(C)C)cc1C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375610110 499537565 /nfs/dbraw/zinc/53/75/65/499537565.db2.gz BMULALVMTHTYGE-UHFFFAOYSA-N 2 1 356.518 3.280 20 0 FGADMP Cc1nn(C(C)C)cc1C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375610110 499537566 /nfs/dbraw/zinc/53/75/66/499537566.db2.gz BMULALVMTHTYGE-UHFFFAOYSA-N 2 1 356.518 3.280 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379623657 499541871 /nfs/dbraw/zinc/54/18/71/499541871.db2.gz IMUKAZIZDWGVPD-OIBXWCBGSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379623657 499541872 /nfs/dbraw/zinc/54/18/72/499541872.db2.gz IMUKAZIZDWGVPD-OIBXWCBGSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660672 499542740 /nfs/dbraw/zinc/54/27/40/499542740.db2.gz CTACDIMKQYTZKU-AGHHOFFYSA-N 2 1 363.505 3.043 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333878 499546570 /nfs/dbraw/zinc/54/65/70/499546570.db2.gz ZWZCVGYFYDKZCV-FBBABVLZSA-N 2 1 372.484 3.066 20 0 FGADMP C[C@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000375723821 499549067 /nfs/dbraw/zinc/54/90/67/499549067.db2.gz HTBRFAGSKQPBAB-JOCHJYFZSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389156295 499552328 /nfs/dbraw/zinc/55/23/28/499552328.db2.gz YCCWBMHZSDKDEC-TYPHKJRUSA-N 2 1 358.526 3.215 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000390951419 499556157 /nfs/dbraw/zinc/55/61/57/499556157.db2.gz WTPHULGTZYKEEA-KBRMVUAJSA-N 2 1 366.505 3.212 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842532 499561463 /nfs/dbraw/zinc/56/14/63/499561463.db2.gz VWXWGYZSQZPVOW-XVAXZDLZSA-N 2 1 369.484 3.385 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057045 499566296 /nfs/dbraw/zinc/56/62/96/499566296.db2.gz ATYFRFMNDCNMAA-RXVVDRJESA-N 2 1 357.542 3.326 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057045 499566298 /nfs/dbraw/zinc/56/62/98/499566298.db2.gz ATYFRFMNDCNMAA-RXVVDRJESA-N 2 1 357.542 3.326 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000376059885 499579814 /nfs/dbraw/zinc/57/98/14/499579814.db2.gz YTBYNCWPUFWLKX-VQIMIIECSA-N 2 1 354.498 3.057 20 0 FGADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376561321 499618636 /nfs/dbraw/zinc/61/86/36/499618636.db2.gz IBRYWYBPIRJXGE-ICSRJNTNSA-N 2 1 354.498 3.227 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000576420095 506153762 /nfs/dbraw/zinc/15/37/62/506153762.db2.gz IDONTSXDWLXJHE-NRFANRHFSA-N 2 1 372.557 3.018 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235687 499672719 /nfs/dbraw/zinc/67/27/19/499672719.db2.gz DAVASMGOHOQVDC-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP c1ccc(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)nc1 ZINC000411159699 499704554 /nfs/dbraw/zinc/70/45/54/499704554.db2.gz ZLLTZAGRXUPTAF-UHFFFAOYSA-N 2 1 350.510 3.390 20 0 FGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000411261261 499718588 /nfs/dbraw/zinc/71/85/88/499718588.db2.gz POAJNKWJMGSQHP-QHCPKHFHSA-N 2 1 371.569 3.217 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000377695568 499721076 /nfs/dbraw/zinc/72/10/76/499721076.db2.gz MJUHTWLJLGKPTK-KNQAVFIVSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377695568 499721077 /nfs/dbraw/zinc/72/10/77/499721077.db2.gz MJUHTWLJLGKPTK-KNQAVFIVSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377695568 499721079 /nfs/dbraw/zinc/72/10/79/499721079.db2.gz MJUHTWLJLGKPTK-KNQAVFIVSA-N 2 1 357.542 3.175 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709837 499723714 /nfs/dbraw/zinc/72/37/14/499723714.db2.gz VKJVYWLREBJGDA-MRXNPFEDSA-N 2 1 373.522 3.147 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c1cc3ccccc3o1)C2 ZINC000377822834 499738800 /nfs/dbraw/zinc/73/88/00/499738800.db2.gz CSPKHCVMPSQMMG-VYDXJSESSA-N 2 1 366.465 3.108 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838664 499740874 /nfs/dbraw/zinc/74/08/74/499740874.db2.gz AZBLTGSDTNDPNI-OKZBNKHCSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838664 499740875 /nfs/dbraw/zinc/74/08/75/499740875.db2.gz AZBLTGSDTNDPNI-OKZBNKHCSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838664 499740877 /nfs/dbraw/zinc/74/08/77/499740877.db2.gz AZBLTGSDTNDPNI-OKZBNKHCSA-N 2 1 351.535 3.050 20 0 FGADMP COC(=O)c1ccc(CN[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000411536252 499752108 /nfs/dbraw/zinc/75/21/08/499752108.db2.gz HGQORTKMLPRMKG-LFUKPOHLSA-N 2 1 367.493 3.114 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377995773 499754252 /nfs/dbraw/zinc/75/42/52/499754252.db2.gz MGBIHEHTRMEVTM-FQEVSTJZSA-N 2 1 355.526 3.128 20 0 FGADMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561805 499763263 /nfs/dbraw/zinc/76/32/63/499763263.db2.gz RNAQQPVIHMLLDL-NHCUHLMSSA-N 2 1 374.525 3.215 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000411649233 499773004 /nfs/dbraw/zinc/77/30/04/499773004.db2.gz UKDZPCBFJZZTGF-KRWDZBQOSA-N 2 1 371.447 3.179 20 0 FGADMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000414301143 499775494 /nfs/dbraw/zinc/77/54/94/499775494.db2.gz BHCSCBDYWSBMTD-LJQANCHMSA-N 2 1 374.475 3.337 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340311 499779181 /nfs/dbraw/zinc/77/91/81/499779181.db2.gz GVONVCFCXICUTL-CUWPLCDZSA-N 2 1 363.521 3.131 20 0 FGADMP COC(=O)c1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cs1 ZINC000411749208 499786110 /nfs/dbraw/zinc/78/61/10/499786110.db2.gz VBYHNOABTOSMQN-MOPGFXCFSA-N 2 1 370.518 3.489 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676142 499820059 /nfs/dbraw/zinc/82/00/59/499820059.db2.gz UUOUILVZRIZKEO-SFHVURJKSA-N 2 1 361.505 3.158 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2/C=C/c2ccccc2)C1 ZINC000414715274 499822258 /nfs/dbraw/zinc/82/22/58/499822258.db2.gz WINLPDHVKFMZFG-NOBHMXGUSA-N 2 1 355.526 3.142 20 0 FGADMP Cn1ccnc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000414721291 499822844 /nfs/dbraw/zinc/82/28/44/499822844.db2.gz GEOKKWIENBUJMH-SLFFLAALSA-N 2 1 350.510 3.168 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412154604 499828637 /nfs/dbraw/zinc/82/86/37/499828637.db2.gz HSOXAUZLYYGREP-NRFANRHFSA-N 2 1 369.553 3.476 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777871 499829997 /nfs/dbraw/zinc/82/99/97/499829997.db2.gz INXVTPIHTLAQMO-LSDHHAIUSA-N 2 1 350.528 3.247 20 0 FGADMP CCCOc1c(Br)cc(C[N@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414781220 499830566 /nfs/dbraw/zinc/83/05/66/499830566.db2.gz VOVKKMFAKFMSCY-UHFFFAOYSA-N 2 1 357.292 3.168 20 0 FGADMP CCCOc1c(Br)cc(C[N@@H+](C)C2CC([NH3+])C2)cc1OC ZINC000414781220 499830567 /nfs/dbraw/zinc/83/05/67/499830567.db2.gz VOVKKMFAKFMSCY-UHFFFAOYSA-N 2 1 357.292 3.168 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)CC(F)F ZINC000412176096 499830888 /nfs/dbraw/zinc/83/08/88/499830888.db2.gz JWXPSWNSPGJBJO-UHFFFAOYSA-N 2 1 373.532 3.323 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000414797468 499832218 /nfs/dbraw/zinc/83/22/18/499832218.db2.gz YLSSTLHFFANBEI-UHFFFAOYSA-N 2 1 362.477 3.390 20 0 FGADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414808272 499833180 /nfs/dbraw/zinc/83/31/80/499833180.db2.gz DZLVRTNBFBHXRD-ZDUSSCGKSA-N 2 1 366.914 3.443 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414815094 499834205 /nfs/dbraw/zinc/83/42/05/499834205.db2.gz ZXGOVNHYCUKBDU-RISCZKNCSA-N 2 1 354.285 3.181 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H]([NH3+])C4CC4)cc3)nc12 ZINC000414892884 499842392 /nfs/dbraw/zinc/84/23/92/499842392.db2.gz QHKDBNOSWLBXDY-FQEVSTJZSA-N 2 1 350.466 3.049 20 0 FGADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931382 499845504 /nfs/dbraw/zinc/84/55/04/499845504.db2.gz BRMZFSJCQVOAJH-GUYCJALGSA-N 2 1 352.404 3.038 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(Br)c1OC ZINC000414957219 499848683 /nfs/dbraw/zinc/84/86/83/499848683.db2.gz VXMNHWPAYONEOD-DGCLKSJQSA-N 2 1 357.292 3.087 20 0 FGADMP Fc1ccc(C(F)(F)F)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060279 499859694 /nfs/dbraw/zinc/85/96/94/499859694.db2.gz WDWJQVCWLXEMHL-UHFFFAOYSA-N 2 1 359.411 3.151 20 0 FGADMP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415073294 499860808 /nfs/dbraw/zinc/86/08/08/499860808.db2.gz YEKJAIZCUFUGBE-LJQANCHMSA-N 2 1 364.559 3.120 20 0 FGADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415084695 499861908 /nfs/dbraw/zinc/86/19/08/499861908.db2.gz HIYLMMJHLUIFHO-NHCUHLMSSA-N 2 1 369.484 3.245 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3Br)CC2)C1 ZINC000415126095 499867243 /nfs/dbraw/zinc/86/72/43/499867243.db2.gz PDLXMYLXNXSFBB-NVXWUHKLSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000415130759 499868005 /nfs/dbraw/zinc/86/80/05/499868005.db2.gz XOJHPRUQEAKZSU-YOEHRIQHSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000412691809 499875832 /nfs/dbraw/zinc/87/58/32/499875832.db2.gz CHKFLGDGBQXLQS-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000412691809 499875834 /nfs/dbraw/zinc/87/58/34/499875834.db2.gz CHKFLGDGBQXLQS-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000576458317 506163393 /nfs/dbraw/zinc/16/33/93/506163393.db2.gz CYBFWXKNDXUXFO-NEPXVJNWSA-N 2 1 372.557 3.325 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000415911786 499927734 /nfs/dbraw/zinc/92/77/34/499927734.db2.gz KAOBUXLMBOAQDA-KRWDZBQOSA-N 2 1 354.498 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415917880 499928282 /nfs/dbraw/zinc/92/82/82/499928282.db2.gz JTRBXJZDWFTEDG-OXQOHEQNSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415943778 499931491 /nfs/dbraw/zinc/93/14/91/499931491.db2.gz MZABMAJTFAVKPJ-UWJYYQICSA-N 2 1 366.509 3.438 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960581 499933708 /nfs/dbraw/zinc/93/37/08/499933708.db2.gz QIIHHJOFAVGVIL-CJNGLKHVSA-N 2 1 370.419 3.112 20 0 FGADMP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000415966381 499934788 /nfs/dbraw/zinc/93/47/88/499934788.db2.gz GLIUUOQXCIBIAA-STQMWFEESA-N 2 1 372.435 3.406 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000415982067 499937147 /nfs/dbraw/zinc/93/71/47/499937147.db2.gz CXMPTJCMXIOOMQ-UHFFFAOYSA-N 2 1 352.482 3.064 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000582243217 506167924 /nfs/dbraw/zinc/16/79/24/506167924.db2.gz FQFAELRTBUXHKM-KRWDZBQOSA-N 2 1 371.550 3.152 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000576478219 506168651 /nfs/dbraw/zinc/16/86/51/506168651.db2.gz SSPHKXGNCMHZPT-GCJKJVERSA-N 2 1 365.521 3.184 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000429243291 500031739 /nfs/dbraw/zinc/03/17/39/500031739.db2.gz DGJPSTKRTTVIJI-SFHVURJKSA-N 2 1 356.514 3.377 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1 ZINC000429243291 500031740 /nfs/dbraw/zinc/03/17/40/500031740.db2.gz DGJPSTKRTTVIJI-SFHVURJKSA-N 2 1 356.514 3.377 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3ccccc3OC)CC2)CC1 ZINC000421382643 500033535 /nfs/dbraw/zinc/03/35/35/500033535.db2.gz YMIQQPYJUJXPEO-RMKNXTFCSA-N 2 1 357.542 3.200 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](CCO)CC1)C1CC[NH+](C)CC1 ZINC000421399675 500037856 /nfs/dbraw/zinc/03/78/56/500037856.db2.gz QOZJULQRADXNSX-LJQANCHMSA-N 2 1 359.558 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384885 500056462 /nfs/dbraw/zinc/05/64/62/500056462.db2.gz QLBRCTPPIHMKRZ-UYAOXDASSA-N 2 1 360.542 3.054 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698909 500126319 /nfs/dbraw/zinc/12/63/19/500126319.db2.gz OJMROYATHLNMKE-FGZHOGPDSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429698909 500126320 /nfs/dbraw/zinc/12/63/20/500126320.db2.gz OJMROYATHLNMKE-FGZHOGPDSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429698909 500126323 /nfs/dbraw/zinc/12/63/23/500126323.db2.gz OJMROYATHLNMKE-FGZHOGPDSA-N 2 1 359.558 3.084 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000414064450 500142758 /nfs/dbraw/zinc/14/27/58/500142758.db2.gz FUIMQEISFHIKAY-ROUUACIJSA-N 2 1 369.509 3.032 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000414064450 500142759 /nfs/dbraw/zinc/14/27/59/500142759.db2.gz FUIMQEISFHIKAY-ROUUACIJSA-N 2 1 369.509 3.032 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(C)C ZINC000414101264 500153599 /nfs/dbraw/zinc/15/35/99/500153599.db2.gz BQSWKWACLHKKOX-SLFFLAALSA-N 2 1 360.542 3.325 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417734326 500159140 /nfs/dbraw/zinc/15/91/40/500159140.db2.gz KAXQTWPTNVHKNX-LZLYRXPVSA-N 2 1 366.575 3.146 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccncc3Cl)cn2)CC1 ZINC000421822413 500159707 /nfs/dbraw/zinc/15/97/07/500159707.db2.gz WUYSVWIEZUSDGC-OAHLLOKOSA-N 2 1 359.905 3.123 20 0 FGADMP CON1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000421869849 500167071 /nfs/dbraw/zinc/16/70/71/500167071.db2.gz DRWMGXBKPMXVNK-KSEOMHKRSA-N 2 1 357.542 3.293 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416985549 500175445 /nfs/dbraw/zinc/17/54/45/500175445.db2.gz YOJBUPDOFZJIJT-MOPGFXCFSA-N 2 1 372.557 3.250 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000417803985 500175883 /nfs/dbraw/zinc/17/58/83/500175883.db2.gz YEFXSIVKSRZXKP-NXEWRWPSSA-N 2 1 358.530 3.124 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000417852811 500184400 /nfs/dbraw/zinc/18/44/00/500184400.db2.gz HKSFVDASVUBOSA-KUHUBIRLSA-N 2 1 355.486 3.058 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369245 506181129 /nfs/dbraw/zinc/18/11/29/506181129.db2.gz ADDVDBDAVQXSCV-PXNSSMCTSA-N 2 1 357.542 3.071 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000417933069 500200526 /nfs/dbraw/zinc/20/05/26/500200526.db2.gz XEVCJBKWVUIJKC-NRSPTQNISA-N 2 1 372.557 3.119 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417977420 500207802 /nfs/dbraw/zinc/20/78/02/500207802.db2.gz BUGMPEKMEVRCCD-XKQJLSEDSA-N 2 1 370.900 3.039 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417977420 500207806 /nfs/dbraw/zinc/20/78/06/500207806.db2.gz BUGMPEKMEVRCCD-XKQJLSEDSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984298 500209283 /nfs/dbraw/zinc/20/92/83/500209283.db2.gz DGIYHYTZGLIXKE-ROUUACIJSA-N 2 1 364.578 3.251 20 0 FGADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417984010 500209376 /nfs/dbraw/zinc/20/93/76/500209376.db2.gz CCFIKUODZPJMSJ-WMQCIHAUSA-N 2 1 372.557 3.104 20 0 FGADMP O[C@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000425950880 500215580 /nfs/dbraw/zinc/21/55/80/500215580.db2.gz BDZPWJDITBUGKV-WOJBJXKFSA-N 2 1 359.901 3.065 20 0 FGADMP COCC[C@@H](c1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958033 500216753 /nfs/dbraw/zinc/21/67/53/500216753.db2.gz LGNUBGRHKVZNIH-GOTSBHOMSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958033 500216755 /nfs/dbraw/zinc/21/67/55/500216755.db2.gz LGNUBGRHKVZNIH-GOTSBHOMSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958033 500216757 /nfs/dbraw/zinc/21/67/57/500216757.db2.gz LGNUBGRHKVZNIH-GOTSBHOMSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958033 500216760 /nfs/dbraw/zinc/21/67/60/500216760.db2.gz LGNUBGRHKVZNIH-GOTSBHOMSA-N 2 1 368.521 3.333 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000425967904 500218425 /nfs/dbraw/zinc/21/84/25/500218425.db2.gz QGFZZCYYUVGFMF-GASCZTMLSA-N 2 1 350.388 3.089 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000425967904 500218428 /nfs/dbraw/zinc/21/84/28/500218428.db2.gz QGFZZCYYUVGFMF-GASCZTMLSA-N 2 1 350.388 3.089 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000425967904 500218432 /nfs/dbraw/zinc/21/84/32/500218432.db2.gz QGFZZCYYUVGFMF-GASCZTMLSA-N 2 1 350.388 3.089 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000425967904 500218435 /nfs/dbraw/zinc/21/84/35/500218435.db2.gz QGFZZCYYUVGFMF-GASCZTMLSA-N 2 1 350.388 3.089 20 0 FGADMP CC[C@H](C)CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000422222202 500236780 /nfs/dbraw/zinc/23/67/80/500236780.db2.gz DJKVDBQEQIRNEP-QXAKKESOSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418150633 500237803 /nfs/dbraw/zinc/23/78/03/500237803.db2.gz DCCGFGOVKNWBGL-PMACEKPBSA-N 2 1 374.573 3.302 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000582314783 506184675 /nfs/dbraw/zinc/18/46/75/506184675.db2.gz NVKKUEJZDDFIOJ-KSSFIOAISA-N 2 1 369.431 3.450 20 0 FGADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227611 500252739 /nfs/dbraw/zinc/25/27/39/500252739.db2.gz AAACMSDDLFTBHC-FPOVZHCZSA-N 2 1 372.557 3.105 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598844 500260868 /nfs/dbraw/zinc/26/08/68/500260868.db2.gz UKNHYQVDIXTAOK-JJDSTIRJSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598844 500260870 /nfs/dbraw/zinc/26/08/70/500260870.db2.gz UKNHYQVDIXTAOK-JJDSTIRJSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615481 500262471 /nfs/dbraw/zinc/26/24/71/500262471.db2.gz BRMWPGGDHXWHNQ-NHYWBVRUSA-N 2 1 372.282 3.119 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615481 500262472 /nfs/dbraw/zinc/26/24/72/500262472.db2.gz BRMWPGGDHXWHNQ-NHYWBVRUSA-N 2 1 372.282 3.119 20 0 FGADMP CCCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418343893 500265145 /nfs/dbraw/zinc/26/51/45/500265145.db2.gz RKKFDYPMJTXRBP-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430642438 500265400 /nfs/dbraw/zinc/26/54/00/500265400.db2.gz KMFWWESXPSJEPK-JXFKEZNVSA-N 2 1 357.523 3.015 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418426734 500275154 /nfs/dbraw/zinc/27/51/54/500275154.db2.gz MNEMAXVEDPAFKJ-WOJBJXKFSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422729021 500290677 /nfs/dbraw/zinc/29/06/77/500290677.db2.gz HDXCHXMSGBJAJV-MTNREXPMSA-N 3 1 359.558 3.293 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422741479 500293317 /nfs/dbraw/zinc/29/33/17/500293317.db2.gz OLDMEYZHCHKJBX-MUYFXNHWSA-N 2 1 362.537 3.136 20 0 FGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422769892 500296049 /nfs/dbraw/zinc/29/60/49/500296049.db2.gz VLWBBAVDWAZDPX-WMLDXEAASA-N 2 1 356.432 3.341 20 0 FGADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773848 500296296 /nfs/dbraw/zinc/29/62/96/500296296.db2.gz ZKXRSJXRJVOBQW-BDKRGJGYSA-N 2 1 371.569 3.397 20 0 FGADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000422781289 500296721 /nfs/dbraw/zinc/29/67/21/500296721.db2.gz LKVCOGYYVBNSPF-OAHLLOKOSA-N 2 1 372.479 3.064 20 0 FGADMP C[N@@H+](CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785219 500297693 /nfs/dbraw/zinc/29/76/93/500297693.db2.gz MZCFAINCDNTZCV-GGAORHGYSA-N 2 1 365.521 3.354 20 0 FGADMP C[N@H+](CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785219 500297694 /nfs/dbraw/zinc/29/76/94/500297694.db2.gz MZCFAINCDNTZCV-GGAORHGYSA-N 3 1 365.521 3.354 20 0 FGADMP C[N@@H+](CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785219 500297696 /nfs/dbraw/zinc/29/76/96/500297696.db2.gz MZCFAINCDNTZCV-GGAORHGYSA-N 3 1 365.521 3.354 20 0 FGADMP CN(CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785219 500297697 /nfs/dbraw/zinc/29/76/97/500297697.db2.gz MZCFAINCDNTZCV-GGAORHGYSA-N 2 1 365.521 3.354 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797813 500299025 /nfs/dbraw/zinc/29/90/25/500299025.db2.gz OOOYTYJOAOCRHY-KAGYGMCKSA-N 2 1 355.526 3.096 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC000422797813 500299027 /nfs/dbraw/zinc/29/90/27/500299027.db2.gz OOOYTYJOAOCRHY-KAGYGMCKSA-N 2 1 355.526 3.096 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809070 500300264 /nfs/dbraw/zinc/30/02/64/500300264.db2.gz RFLAQHKQPWFGAH-IIBYNOLFSA-N 2 1 351.494 3.473 20 0 FGADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422810561 500300999 /nfs/dbraw/zinc/30/09/99/500300999.db2.gz NQJMWHOZQQUKID-JTPPEQCGSA-N 2 1 371.569 3.306 20 0 FGADMP COc1ccc([C@H](NCC[N@@H+]2CCc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422811259 500301221 /nfs/dbraw/zinc/30/12/21/500301221.db2.gz VRKXEIDPBQQLKJ-GOTSBHOMSA-N 2 1 365.521 3.136 20 0 FGADMP COc1ccc([C@H](NCC[N@H+]2CCc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422811259 500301222 /nfs/dbraw/zinc/30/12/22/500301222.db2.gz VRKXEIDPBQQLKJ-GOTSBHOMSA-N 2 1 365.521 3.136 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422826391 500302763 /nfs/dbraw/zinc/30/27/63/500302763.db2.gz LGARTUXAAHFDPK-LLVKDONJSA-N 2 1 354.376 3.036 20 0 FGADMP C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1C[NH3+] ZINC000422850471 500305615 /nfs/dbraw/zinc/30/56/15/500305615.db2.gz NOYMSXSJWUAOEI-HHXXYDBFSA-N 2 1 358.530 3.079 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887303 500310676 /nfs/dbraw/zinc/31/06/76/500310676.db2.gz AZAUFJDTTVGARK-AAUAJYIVSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422887303 500310678 /nfs/dbraw/zinc/31/06/78/500310678.db2.gz AZAUFJDTTVGARK-AAUAJYIVSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422887303 500310683 /nfs/dbraw/zinc/31/06/83/500310683.db2.gz AZAUFJDTTVGARK-AAUAJYIVSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000430958770 500313386 /nfs/dbraw/zinc/31/33/86/500313386.db2.gz UFTXMRGUUOMMRK-SECBINFHSA-N 2 1 371.304 3.120 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000430964735 500314249 /nfs/dbraw/zinc/31/42/49/500314249.db2.gz IZLYTVNTIMAMNQ-JTQLQIEISA-N 2 1 363.811 3.357 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422906243 500314755 /nfs/dbraw/zinc/31/47/55/500314755.db2.gz UURMHZKFQYDNSN-RHSMWYFYSA-N 2 1 352.906 3.127 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418734643 500315033 /nfs/dbraw/zinc/31/50/33/500315033.db2.gz VXNHJFNKGCFUCA-PMACEKPBSA-N 2 1 366.594 3.294 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000422922561 500316969 /nfs/dbraw/zinc/31/69/69/500316969.db2.gz UALDBUNWIPXWFJ-HMXCVIKNSA-N 2 1 357.542 3.121 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422931750 500319216 /nfs/dbraw/zinc/31/92/16/500319216.db2.gz CSRIWYQPZNOPST-JOYOIKCWSA-N 2 1 361.799 3.009 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000426778685 500319550 /nfs/dbraw/zinc/31/95/50/500319550.db2.gz ZWOYJTORDGCGJP-HDICACEKSA-N 2 1 364.505 3.416 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015643 500323808 /nfs/dbraw/zinc/32/38/08/500323808.db2.gz WGXUIMNOGIWQOO-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)c(Cl)c1 ZINC000423024526 500332697 /nfs/dbraw/zinc/33/26/97/500332697.db2.gz LVVRWBZMAAWUIQ-OLMNPRSZSA-N 2 1 352.881 3.257 20 0 FGADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)c(Cl)c1 ZINC000423024527 500332726 /nfs/dbraw/zinc/33/27/26/500332726.db2.gz LVVRWBZMAAWUIQ-QGTPRVQTSA-N 2 1 352.881 3.257 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036480 500334009 /nfs/dbraw/zinc/33/40/09/500334009.db2.gz UDHWTVYBLSJQGL-GSPCLOLRSA-N 3 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036480 500334012 /nfs/dbraw/zinc/33/40/12/500334012.db2.gz UDHWTVYBLSJQGL-GSPCLOLRSA-N 2 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036480 500334014 /nfs/dbraw/zinc/33/40/14/500334014.db2.gz UDHWTVYBLSJQGL-GSPCLOLRSA-N 2 1 371.569 3.044 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423061445 500336766 /nfs/dbraw/zinc/33/67/66/500336766.db2.gz QRLDPRNHRTXIED-BBWFWOEESA-N 2 1 353.304 3.004 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423061447 500336840 /nfs/dbraw/zinc/33/68/40/500336840.db2.gz QRLDPRNHRTXIED-GVDBMIGSSA-N 2 1 353.304 3.004 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423065933 500337568 /nfs/dbraw/zinc/33/75/68/500337568.db2.gz VQOLBVSCBGHWOS-IPMKNSEASA-N 2 1 361.917 3.121 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000423087318 500340610 /nfs/dbraw/zinc/34/06/10/500340610.db2.gz NWFZBLYKKWNUIT-GXTWGEPZSA-N 2 1 361.287 3.186 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101500 500342597 /nfs/dbraw/zinc/34/25/97/500342597.db2.gz IYLILIVNMLWSGZ-YADHBBJMSA-N 3 1 351.494 3.394 20 0 FGADMP C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192422 500353289 /nfs/dbraw/zinc/35/32/89/500353289.db2.gz VGWQZPNBDNULGP-KNQAVFIVSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@@H]([NH2+]CCCNCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192422 500353293 /nfs/dbraw/zinc/35/32/93/500353293.db2.gz VGWQZPNBDNULGP-KNQAVFIVSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@@H]([NH2+]CCCNCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192422 500353297 /nfs/dbraw/zinc/35/32/97/500353297.db2.gz VGWQZPNBDNULGP-KNQAVFIVSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(N2CCCC2=O)c1 ZINC000423192519 500354201 /nfs/dbraw/zinc/35/42/01/500354201.db2.gz VQEQOQBTCIXDGV-QGZVFWFLSA-N 2 1 352.482 3.039 20 0 FGADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237893 500357305 /nfs/dbraw/zinc/35/73/05/500357305.db2.gz QIYWKPJDTBFIFP-JQWIXIFHSA-N 2 1 363.811 3.418 20 0 FGADMP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427177689 500363526 /nfs/dbraw/zinc/36/35/26/500363526.db2.gz IIOKRKWQCZCOTI-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3ccc(OC)cc3C2)cc1 ZINC000423323309 500364040 /nfs/dbraw/zinc/36/40/40/500364040.db2.gz HBMXLWOUXIAFJR-WTIAFYNJSA-N 2 1 366.505 3.296 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423340690 500365182 /nfs/dbraw/zinc/36/51/82/500365182.db2.gz SZBFURXRSUNJMH-IHWTVUROSA-N 2 1 374.525 3.242 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3c(cccc3OC)C2)cc1 ZINC000423336523 500365429 /nfs/dbraw/zinc/36/54/29/500365429.db2.gz QJMOQAKHVOIQOT-VCOUNFBDSA-N 2 1 366.505 3.296 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423393724 500369776 /nfs/dbraw/zinc/36/97/76/500369776.db2.gz RFOJIAZMKJLDRL-PKOBYXMFSA-N 2 1 354.498 3.335 20 0 FGADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423480914 500378154 /nfs/dbraw/zinc/37/81/54/500378154.db2.gz WHMLBMDNKXBJDZ-RPVQJOFSSA-N 2 1 360.429 3.249 20 0 FGADMP CC1(C)[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000423510312 500380643 /nfs/dbraw/zinc/38/06/43/500380643.db2.gz NLFOMOSLNOBHES-FMFRFZGHSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)s1 ZINC000423512225 500380991 /nfs/dbraw/zinc/38/09/91/500380991.db2.gz OKCHJSPCEIPEOX-IYXRBSQSSA-N 2 1 372.376 3.378 20 0 FGADMP COc1ccsc1[C@@H](C)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423544727 500383729 /nfs/dbraw/zinc/38/37/29/500383729.db2.gz CILJRZUWBCSGRD-MRXNPFEDSA-N 2 1 359.539 3.401 20 0 FGADMP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000423598288 500387548 /nfs/dbraw/zinc/38/75/48/500387548.db2.gz PDAZTVQBXYJUAW-MSOLQXFVSA-N 2 1 358.530 3.094 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423710040 500396518 /nfs/dbraw/zinc/39/65/18/500396518.db2.gz RHSGEBXBVREQND-CGTJXYLNSA-N 2 1 358.530 3.127 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCCCCn1cc[nH+]c1C ZINC000431667638 500405755 /nfs/dbraw/zinc/40/57/55/500405755.db2.gz PJMDBQOBMZODMF-RTBURBONSA-N 2 1 363.550 3.172 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896100 500416733 /nfs/dbraw/zinc/41/67/33/500416733.db2.gz GHHUUFUGLLYGIC-VQTJNVASSA-N 2 1 357.542 3.265 20 0 FGADMP [NH3+]CC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900489 500417306 /nfs/dbraw/zinc/41/73/06/500417306.db2.gz KDHRCCNQRWJHLT-WOJBJXKFSA-N 2 1 355.526 3.019 20 0 FGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000427694827 500422008 /nfs/dbraw/zinc/42/20/08/500422008.db2.gz DVWJCHLCPMLPRU-GOTSBHOMSA-N 2 1 352.522 3.480 20 0 FGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000427694827 500422011 /nfs/dbraw/zinc/42/20/11/500422011.db2.gz DVWJCHLCPMLPRU-GOTSBHOMSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000423972474 500427448 /nfs/dbraw/zinc/42/74/48/500427448.db2.gz PHDLWUVNEURENY-DYESRHJHSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000423972474 500427449 /nfs/dbraw/zinc/42/74/49/500427449.db2.gz PHDLWUVNEURENY-DYESRHJHSA-N 2 1 351.494 3.030 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@@H]12 ZINC000420301453 500437443 /nfs/dbraw/zinc/43/74/43/500437443.db2.gz DUOLAVALFHXYOG-HUYLIWGRSA-N 2 1 353.441 3.175 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@@H]12 ZINC000420301453 500437445 /nfs/dbraw/zinc/43/74/45/500437445.db2.gz DUOLAVALFHXYOG-HUYLIWGRSA-N 2 1 353.441 3.175 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302548 500437855 /nfs/dbraw/zinc/43/78/55/500437855.db2.gz MOMSUPLVGUHOHZ-MJGOQNOKSA-N 2 1 354.450 3.303 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000420314227 500439972 /nfs/dbraw/zinc/43/99/72/500439972.db2.gz VJLJOMZQQMSJFZ-JBACZVJFSA-N 2 1 358.526 3.441 20 0 FGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420319976 500440718 /nfs/dbraw/zinc/44/07/18/500440718.db2.gz PUEKPSJIGNHHDJ-UXHICEINSA-N 2 1 359.539 3.307 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000420327286 500441319 /nfs/dbraw/zinc/44/13/19/500441319.db2.gz YDQSCKDTZODBPW-HKUYNNGSSA-N 2 1 360.523 3.480 20 0 FGADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420323438 500441636 /nfs/dbraw/zinc/44/16/36/500441636.db2.gz UGPZMZGMPYMQTG-SFHVURJKSA-N 2 1 358.482 3.277 20 0 FGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323696 500441800 /nfs/dbraw/zinc/44/18/00/500441800.db2.gz GTRKEDXINFFDQM-CVEARBPZSA-N 2 1 356.466 3.431 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328846 500442588 /nfs/dbraw/zinc/44/25/88/500442588.db2.gz NCJAZGRHXBJNBF-HZPDHXFCSA-N 2 1 360.889 3.254 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000420327290 500442817 /nfs/dbraw/zinc/44/28/17/500442817.db2.gz YDQSCKDTZODBPW-MJGOQNOKSA-N 2 1 360.523 3.480 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC12CCOCC2 ZINC000420327437 500442860 /nfs/dbraw/zinc/44/28/60/500442860.db2.gz LDGFVAZHMJGPII-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC12CCOCC2 ZINC000420327437 500442863 /nfs/dbraw/zinc/44/28/63/500442863.db2.gz LDGFVAZHMJGPII-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330701 500442884 /nfs/dbraw/zinc/44/28/84/500442884.db2.gz BFNSSTIAHRCJBB-GJZGRUSLSA-N 2 1 353.304 3.149 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420338348 500443758 /nfs/dbraw/zinc/44/37/58/500443758.db2.gz XUYGNTUYAMQKHA-GJZGRUSLSA-N 2 1 353.304 3.149 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccs1 ZINC000420337494 500444246 /nfs/dbraw/zinc/44/42/46/500444246.db2.gz NOWKUNCHTJYXCR-QFBILLFUSA-N 2 1 363.571 3.416 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000431929093 500444437 /nfs/dbraw/zinc/44/44/37/500444437.db2.gz XPNHKNBLKUAKOU-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341958 500444518 /nfs/dbraw/zinc/44/45/18/500444518.db2.gz PBTASQNWBADLIC-HZSPNIEDSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341958 500444520 /nfs/dbraw/zinc/44/45/20/500444520.db2.gz PBTASQNWBADLIC-HZSPNIEDSA-N 2 1 353.869 3.128 20 0 FGADMP Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)cc2)cc1 ZINC000420363438 500447686 /nfs/dbraw/zinc/44/76/86/500447686.db2.gz NVBUONZIILHARD-FQEVSTJZSA-N 2 1 372.534 3.306 20 0 FGADMP C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420400153 500455224 /nfs/dbraw/zinc/45/52/24/500455224.db2.gz IJEATHPHJPYQKL-RXVVDRJESA-N 2 1 365.521 3.199 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402051 500455452 /nfs/dbraw/zinc/45/54/52/500455452.db2.gz PXXMTFWMFKLBGZ-BULFRSBZSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402051 500455453 /nfs/dbraw/zinc/45/54/53/500455453.db2.gz PXXMTFWMFKLBGZ-BULFRSBZSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420412605 500457513 /nfs/dbraw/zinc/45/75/13/500457513.db2.gz ZKABXZGEXWUQLG-BVYCBKJFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420412605 500457514 /nfs/dbraw/zinc/45/75/14/500457514.db2.gz ZKABXZGEXWUQLG-BVYCBKJFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432411600 500512923 /nfs/dbraw/zinc/51/29/23/500512923.db2.gz ZNHSAIMBAMJDPE-HOTGVXAUSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432411600 500512925 /nfs/dbraw/zinc/51/29/25/500512925.db2.gz ZNHSAIMBAMJDPE-HOTGVXAUSA-N 2 1 369.347 3.471 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3ccccc3F)CC2)CC1 ZINC000420985808 500549054 /nfs/dbraw/zinc/54/90/54/500549054.db2.gz WYDBTMFWKAQMCK-UHFFFAOYSA-N 2 1 365.562 3.410 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3c(C)cccc3C)CC2)CC1 ZINC000421014382 500554392 /nfs/dbraw/zinc/55/43/92/500554392.db2.gz SDZJABWGKWJCCS-UHFFFAOYSA-N 2 1 359.558 3.174 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000432797205 500565543 /nfs/dbraw/zinc/56/55/43/500565543.db2.gz KLZZBVKGGHQWQR-BHDDXSALSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000432797205 500565545 /nfs/dbraw/zinc/56/55/45/500565545.db2.gz KLZZBVKGGHQWQR-BHDDXSALSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000432797205 500565548 /nfs/dbraw/zinc/56/55/48/500565548.db2.gz KLZZBVKGGHQWQR-BHDDXSALSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494539 506203998 /nfs/dbraw/zinc/20/39/98/506203998.db2.gz PCYHMWSJPHVQIQ-NQIIRXRSSA-N 2 1 357.542 3.060 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000447300582 500587418 /nfs/dbraw/zinc/58/74/18/500587418.db2.gz DJYNGPJWUXWCHJ-FQEVSTJZSA-N 2 1 366.509 3.173 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000447300582 500587421 /nfs/dbraw/zinc/58/74/21/500587421.db2.gz DJYNGPJWUXWCHJ-FQEVSTJZSA-N 2 1 366.509 3.173 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000447300582 500587427 /nfs/dbraw/zinc/58/74/27/500587427.db2.gz DJYNGPJWUXWCHJ-FQEVSTJZSA-N 2 1 366.509 3.173 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076625 500599358 /nfs/dbraw/zinc/59/93/58/500599358.db2.gz VPYIKTINHZBOTH-NEWJYFPISA-N 2 1 364.533 3.480 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000442646359 500608220 /nfs/dbraw/zinc/60/82/20/500608220.db2.gz JOQSGVGGCNQVMC-LJQANCHMSA-N 2 1 361.489 3.257 20 0 FGADMP c1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)n2)ccc1C[NH+]1CCOCC1 ZINC000442750766 500619703 /nfs/dbraw/zinc/61/97/03/500619703.db2.gz PRHGKCBQSGMSSY-OTWHNJEPSA-N 2 1 368.481 3.162 20 0 FGADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000447545132 500621758 /nfs/dbraw/zinc/62/17/58/500621758.db2.gz XJDZQQRUZOLXLY-MRXNPFEDSA-N 2 1 372.465 3.392 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782759 500625259 /nfs/dbraw/zinc/62/52/59/500625259.db2.gz RZUFBYMJQIIFHX-VWKPWSFCSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782759 500625261 /nfs/dbraw/zinc/62/52/61/500625261.db2.gz RZUFBYMJQIIFHX-VWKPWSFCSA-N 2 1 371.912 3.215 20 0 FGADMP COC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442876085 500637902 /nfs/dbraw/zinc/63/79/02/500637902.db2.gz QIZNDSPBYHBTHX-KRWDZBQOSA-N 2 1 373.463 3.009 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(Br)c1 ZINC000442875955 500637910 /nfs/dbraw/zinc/63/79/10/500637910.db2.gz PYSMBNJDOKKGKT-CYBMUJFWSA-N 2 1 372.326 3.265 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443054784 500669621 /nfs/dbraw/zinc/66/96/21/500669621.db2.gz AEJUAKIJNCFECX-OKZBNKHCSA-N 2 1 357.542 3.192 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000443067393 500673502 /nfs/dbraw/zinc/67/35/02/500673502.db2.gz GLWAYFCNDRMNEC-LLVKDONJSA-N 2 1 363.811 3.358 20 0 FGADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564647 506212544 /nfs/dbraw/zinc/21/25/44/506212544.db2.gz HRVNAXHTILREGU-WOJBJXKFSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000447932747 500691801 /nfs/dbraw/zinc/69/18/01/500691801.db2.gz ZYPUTVSWBRTXSQ-WIYYLYMNSA-N 2 1 357.498 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@@H]1C ZINC000447932747 500691803 /nfs/dbraw/zinc/69/18/03/500691803.db2.gz ZYPUTVSWBRTXSQ-WIYYLYMNSA-N 2 1 357.498 3.014 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000447993108 500702825 /nfs/dbraw/zinc/70/28/25/500702825.db2.gz YLJZHBSRJNTUDQ-IBGZPJMESA-N 2 1 364.578 3.061 20 0 FGADMP CN(Cc1cc2c(cccc2F)[nH]1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000437966541 500722757 /nfs/dbraw/zinc/72/27/57/500722757.db2.gz WOMKCYGEURFOLR-QFIPXVFZSA-N 2 1 367.468 3.376 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209493 500733679 /nfs/dbraw/zinc/73/36/79/500733679.db2.gz RJHODYVXDSZYRV-SJLPKXTDSA-N 2 1 366.575 3.018 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214044 500734283 /nfs/dbraw/zinc/73/42/83/500734283.db2.gz PABTYKHVAJKPJU-ZCNNSNEGSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214044 500734284 /nfs/dbraw/zinc/73/42/84/500734284.db2.gz PABTYKHVAJKPJU-ZCNNSNEGSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214044 500734285 /nfs/dbraw/zinc/73/42/85/500734285.db2.gz PABTYKHVAJKPJU-ZCNNSNEGSA-N 2 1 366.594 3.022 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170455 500749489 /nfs/dbraw/zinc/74/94/89/500749489.db2.gz XVEBOVNVMKCYQF-ZWKOTPCHSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170455 500749493 /nfs/dbraw/zinc/74/94/93/500749493.db2.gz XVEBOVNVMKCYQF-ZWKOTPCHSA-N 2 1 358.448 3.415 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170454 500749537 /nfs/dbraw/zinc/74/95/37/500749537.db2.gz XVEBOVNVMKCYQF-ROUUACIJSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170454 500749540 /nfs/dbraw/zinc/74/95/40/500749540.db2.gz XVEBOVNVMKCYQF-ROUUACIJSA-N 2 1 358.448 3.415 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000438186836 500751657 /nfs/dbraw/zinc/75/16/57/500751657.db2.gz GDLCJQCTASWONB-PIPMEXSNSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000438186836 500751659 /nfs/dbraw/zinc/75/16/59/500751659.db2.gz GDLCJQCTASWONB-PIPMEXSNSA-N 2 1 356.485 3.402 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000570710423 506214786 /nfs/dbraw/zinc/21/47/86/506214786.db2.gz ZTLIRGDSUWHROT-IAGOWNOFSA-N 2 1 354.922 3.098 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000448465230 500762540 /nfs/dbraw/zinc/76/25/40/500762540.db2.gz HNVIBFUNWSJZLC-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000448471344 500763022 /nfs/dbraw/zinc/76/30/22/500763022.db2.gz KLNWJDTUZRRZNJ-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438347334 500774631 /nfs/dbraw/zinc/77/46/31/500774631.db2.gz SPGOMSIXFHKEMK-LJQANCHMSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444024661 500794063 /nfs/dbraw/zinc/79/40/63/500794063.db2.gz XQWVJJKKSHFBEO-OTWHNJEPSA-N 2 1 357.542 3.371 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1sccc1C ZINC000438909485 500833965 /nfs/dbraw/zinc/83/39/65/500833965.db2.gz DESFMTGRTNOXPC-KZNAEPCWSA-N 2 1 363.571 3.035 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000438970636 500842377 /nfs/dbraw/zinc/84/23/77/500842377.db2.gz FLLXLHGYRONVLF-QZTJIDSGSA-N 2 1 366.575 3.161 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000434446355 500843817 /nfs/dbraw/zinc/84/38/17/500843817.db2.gz TVBIEHITMSBLCS-GHTZIAJQSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446355 500843821 /nfs/dbraw/zinc/84/38/21/500843821.db2.gz TVBIEHITMSBLCS-GHTZIAJQSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446355 500843823 /nfs/dbraw/zinc/84/38/23/500843823.db2.gz TVBIEHITMSBLCS-GHTZIAJQSA-N 2 1 373.516 3.171 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000607668353 506221070 /nfs/dbraw/zinc/22/10/70/506221070.db2.gz KCIUGQMZRXHLPE-FQEVSTJZSA-N 2 1 355.482 3.012 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC000607668353 506221077 /nfs/dbraw/zinc/22/10/77/506221077.db2.gz KCIUGQMZRXHLPE-FQEVSTJZSA-N 2 1 355.482 3.012 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000607668353 506221082 /nfs/dbraw/zinc/22/10/82/506221082.db2.gz KCIUGQMZRXHLPE-FQEVSTJZSA-N 2 1 355.482 3.012 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000607668353 506221085 /nfs/dbraw/zinc/22/10/85/506221085.db2.gz KCIUGQMZRXHLPE-FQEVSTJZSA-N 2 1 355.482 3.012 20 0 FGADMP COc1cccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000434670895 500876565 /nfs/dbraw/zinc/87/65/65/500876565.db2.gz SAQQKWPIOJAHLL-UHFFFAOYSA-N 2 1 355.482 3.486 20 0 FGADMP C[C@@H]1[NH2+]CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H]1C ZINC000434673559 500877362 /nfs/dbraw/zinc/87/73/62/500877362.db2.gz QWJZBDKEDQMESD-ROUUACIJSA-N 2 1 351.494 3.141 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000434747466 500888466 /nfs/dbraw/zinc/88/84/66/500888466.db2.gz PCVIZTHSNYLXIG-CUWPLCDZSA-N 2 1 366.509 3.342 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000434747466 500888468 /nfs/dbraw/zinc/88/84/68/500888468.db2.gz PCVIZTHSNYLXIG-CUWPLCDZSA-N 2 1 366.509 3.342 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000434747466 500888470 /nfs/dbraw/zinc/88/84/70/500888470.db2.gz PCVIZTHSNYLXIG-CUWPLCDZSA-N 2 1 366.509 3.342 20 0 FGADMP COc1cccc2c(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cccc12 ZINC000449024666 500901717 /nfs/dbraw/zinc/90/17/17/500901717.db2.gz CSNKOLHONLDXII-QGZVFWFLSA-N 2 1 356.510 3.373 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(F)cc(OC)c3)cc2)CC1 ZINC000449083113 500920087 /nfs/dbraw/zinc/92/00/87/500920087.db2.gz SALLYAUUAORZLD-UHFFFAOYSA-N 2 1 371.500 3.262 20 0 FGADMP CSCC1CCC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)CC1 ZINC000449084012 500921261 /nfs/dbraw/zinc/92/12/61/500921261.db2.gz WDBZQQCVNICPJJ-UHFFFAOYSA-N 2 1 361.599 3.445 20 0 FGADMP C[C@@H](C[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449086162 500921903 /nfs/dbraw/zinc/92/19/03/500921903.db2.gz QRSVKOOPUXYHAW-FUHIMQAGSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[NH2+]CC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449103700 500925383 /nfs/dbraw/zinc/92/53/83/500925383.db2.gz RRYFLQSHWQXSNK-MRXNPFEDSA-N 2 1 352.544 3.048 20 0 FGADMP C[C@H](C[NH2+]CC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449103700 500925385 /nfs/dbraw/zinc/92/53/85/500925385.db2.gz RRYFLQSHWQXSNK-MRXNPFEDSA-N 2 1 352.544 3.048 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449164404 500938045 /nfs/dbraw/zinc/93/80/45/500938045.db2.gz ZERIQPJODHUVHF-QGZVFWFLSA-N 2 1 354.494 3.439 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000449195099 500944874 /nfs/dbraw/zinc/94/48/74/500944874.db2.gz WBBAHYASPTXVEZ-LEWJYISDSA-N 2 1 354.494 3.316 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000607689583 506226361 /nfs/dbraw/zinc/22/63/61/506226361.db2.gz DHSGWOPTECHZBE-QRVBRYPASA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000607689583 506226366 /nfs/dbraw/zinc/22/63/66/506226366.db2.gz DHSGWOPTECHZBE-QRVBRYPASA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000607689583 506226373 /nfs/dbraw/zinc/22/63/73/506226373.db2.gz DHSGWOPTECHZBE-QRVBRYPASA-N 2 1 373.541 3.152 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000435380237 500963845 /nfs/dbraw/zinc/96/38/45/500963845.db2.gz QFYTXNDEBADGJJ-DBVUQKKJSA-N 2 1 368.525 3.483 20 0 FGADMP CCOc1c(Br)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435435236 500976341 /nfs/dbraw/zinc/97/63/41/500976341.db2.gz XMGYFWJEDFWIKY-AWEZNQCLSA-N 2 1 371.319 3.430 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000449325563 500977257 /nfs/dbraw/zinc/97/72/57/500977257.db2.gz NOEPJGAZUQWDQQ-HOTGVXAUSA-N 2 1 352.544 3.147 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440155785 500982392 /nfs/dbraw/zinc/98/23/92/500982392.db2.gz BLRIYTVCZOTABV-NRFANRHFSA-N 2 1 355.526 3.306 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440263812 500992500 /nfs/dbraw/zinc/99/25/00/500992500.db2.gz GEIFEWNSTDVOAM-RBBKRZOGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440263812 500992503 /nfs/dbraw/zinc/99/25/03/500992503.db2.gz GEIFEWNSTDVOAM-RBBKRZOGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440263812 500992506 /nfs/dbraw/zinc/99/25/06/500992506.db2.gz GEIFEWNSTDVOAM-RBBKRZOGSA-N 2 1 369.553 3.374 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCCCCC1 ZINC000435696100 501013526 /nfs/dbraw/zinc/01/35/26/501013526.db2.gz TWEXKAJBIOJJJH-SFHVURJKSA-N 2 1 361.555 3.095 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)N1CCCCCC1 ZINC000435696100 501013529 /nfs/dbraw/zinc/01/35/29/501013529.db2.gz TWEXKAJBIOJJJH-SFHVURJKSA-N 2 1 361.555 3.095 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435699424 501014128 /nfs/dbraw/zinc/01/41/28/501014128.db2.gz ZTAVFLAPXFOMEJ-SFHVURJKSA-N 2 1 355.507 3.331 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435699424 501014131 /nfs/dbraw/zinc/01/41/31/501014131.db2.gz ZTAVFLAPXFOMEJ-SFHVURJKSA-N 2 1 355.507 3.331 20 0 FGADMP CC[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494511 501017560 /nfs/dbraw/zinc/01/75/60/501017560.db2.gz GQSXTIPQZBXYST-YADHBBJMSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494511 501017563 /nfs/dbraw/zinc/01/75/63/501017563.db2.gz GQSXTIPQZBXYST-YADHBBJMSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494511 501017564 /nfs/dbraw/zinc/01/75/64/501017564.db2.gz GQSXTIPQZBXYST-YADHBBJMSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@@H](C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494511 501017567 /nfs/dbraw/zinc/01/75/67/501017567.db2.gz GQSXTIPQZBXYST-YADHBBJMSA-N 2 1 371.569 3.446 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000436113277 501072486 /nfs/dbraw/zinc/07/24/86/501072486.db2.gz VCKYVZOCYMPRCC-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](CCCc3ccccc3)C2)CC1 ZINC000441185147 501099982 /nfs/dbraw/zinc/09/99/82/501099982.db2.gz YQWPFDHJGUPTJY-OAQYLSRUSA-N 2 1 371.569 3.322 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3cc4c(cccc4F)[nH]3)CC2)nc(C)[nH+]1 ZINC000436290502 501102650 /nfs/dbraw/zinc/10/26/50/501102650.db2.gz ZEZKJYMKRWJIOB-UHFFFAOYSA-N 2 1 353.445 3.472 20 0 FGADMP CC(C)[NH+](Cc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395905 501111282 /nfs/dbraw/zinc/11/12/82/501111282.db2.gz UTUMQGAXTBQGHR-SJORKVTESA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C[C@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000450395905 501111286 /nfs/dbraw/zinc/11/12/86/501111286.db2.gz UTUMQGAXTBQGHR-SJORKVTESA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C[C@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000450395905 501111290 /nfs/dbraw/zinc/11/12/90/501111290.db2.gz UTUMQGAXTBQGHR-SJORKVTESA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395902 501111438 /nfs/dbraw/zinc/11/14/38/501111438.db2.gz UTUMQGAXTBQGHR-DLBZAZTESA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C[C@@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000450395902 501111441 /nfs/dbraw/zinc/11/14/41/501111441.db2.gz UTUMQGAXTBQGHR-DLBZAZTESA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C[C@@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000450395902 501111445 /nfs/dbraw/zinc/11/14/45/501111445.db2.gz UTUMQGAXTBQGHR-DLBZAZTESA-N 2 1 354.510 3.008 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1(C)C ZINC000441347242 501124681 /nfs/dbraw/zinc/12/46/81/501124681.db2.gz LQVJWSTUVLEUHC-UHFFFAOYSA-N 2 1 365.949 3.244 20 0 FGADMP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000441367103 501128269 /nfs/dbraw/zinc/12/82/69/501128269.db2.gz GZCGHAOTPHNDTP-PZJWPPBQSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@@H]1CCCC[N@@H+]1C ZINC000441367103 501128271 /nfs/dbraw/zinc/12/82/71/501128271.db2.gz GZCGHAOTPHNDTP-PZJWPPBQSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@@H]1CCCC[N@H+]1C ZINC000441367103 501128273 /nfs/dbraw/zinc/12/82/73/501128273.db2.gz GZCGHAOTPHNDTP-PZJWPPBQSA-N 2 1 357.542 3.377 20 0 FGADMP Cc1ccc(N2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)[nH+]c1 ZINC000436472240 501132902 /nfs/dbraw/zinc/13/29/02/501132902.db2.gz XWWCXPOCHPJBQM-UHFFFAOYSA-N 3 1 351.498 3.012 20 0 FGADMP COC[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921768 501181195 /nfs/dbraw/zinc/18/11/95/501181195.db2.gz UPIPUOKKAZMGHG-CBQOVEMMSA-N 2 1 360.542 3.318 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774508 506239259 /nfs/dbraw/zinc/23/92/59/506239259.db2.gz UYPMPVDUALIRMI-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592774508 506239268 /nfs/dbraw/zinc/23/92/68/506239268.db2.gz UYPMPVDUALIRMI-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592774508 506239274 /nfs/dbraw/zinc/23/92/74/506239274.db2.gz UYPMPVDUALIRMI-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447090432 501203907 /nfs/dbraw/zinc/20/39/07/501203907.db2.gz LORRFUGYQXRDQY-IYBDPMFKSA-N 2 1 351.560 3.298 20 0 FGADMP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccc(OC(C)C)cc43)C2)CC1 ZINC000450317993 501232742 /nfs/dbraw/zinc/23/27/42/501232742.db2.gz METPFWILLAGQBJ-SFHVURJKSA-N 2 1 368.525 3.238 20 0 FGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)C2 ZINC000453125831 501274000 /nfs/dbraw/zinc/27/40/00/501274000.db2.gz ATDIQHFTPADGAR-FCIYXJNOSA-N 2 1 350.510 3.300 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453134703 501276632 /nfs/dbraw/zinc/27/66/32/501276632.db2.gz SMNGFVOBROFRTO-CZYKHXBRSA-N 2 1 358.526 3.215 20 0 FGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CC2 ZINC000453140008 501277562 /nfs/dbraw/zinc/27/75/62/501277562.db2.gz FUVRKNHFSGADDB-KRXUUXHPSA-N 2 1 350.510 3.300 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)(F)F ZINC000453165141 501282335 /nfs/dbraw/zinc/28/23/35/501282335.db2.gz AYWSDXRCCICYDY-TVFCKZIOSA-N 2 1 356.432 3.333 20 0 FGADMP Cc1cc(C)c(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c(C)n1 ZINC000455465882 501310081 /nfs/dbraw/zinc/31/00/81/501310081.db2.gz FKCOECOECNARIE-UHFFFAOYSA-N 2 1 358.511 3.461 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532434 501315535 /nfs/dbraw/zinc/31/55/35/501315535.db2.gz TURJEDIQCWAZMO-CTNGQTDRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532434 501315537 /nfs/dbraw/zinc/31/55/37/501315537.db2.gz TURJEDIQCWAZMO-CTNGQTDRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532434 501315538 /nfs/dbraw/zinc/31/55/38/501315538.db2.gz TURJEDIQCWAZMO-CTNGQTDRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532434 501315539 /nfs/dbraw/zinc/31/55/39/501315539.db2.gz TURJEDIQCWAZMO-CTNGQTDRSA-N 2 1 363.590 3.469 20 0 FGADMP Cn1cnc(CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)c1 ZINC000457851153 501321619 /nfs/dbraw/zinc/32/16/19/501321619.db2.gz HVXIOHLCDCZAOX-UHFFFAOYSA-N 2 1 362.477 3.025 20 0 FGADMP CN(Cc1ccccc1)Cc1cccc(C(=O)NCCc2cn(C)cn2)c1 ZINC000457851153 501321621 /nfs/dbraw/zinc/32/16/21/501321621.db2.gz HVXIOHLCDCZAOX-UHFFFAOYSA-N 2 1 362.477 3.025 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453445316 501333349 /nfs/dbraw/zinc/33/33/49/501333349.db2.gz OLQZKOKTHBMDPS-KPFFTGBYSA-N 2 1 366.509 3.217 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453445316 501333352 /nfs/dbraw/zinc/33/33/52/501333352.db2.gz OLQZKOKTHBMDPS-KPFFTGBYSA-N 2 1 366.509 3.217 20 0 FGADMP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000457973636 501347794 /nfs/dbraw/zinc/34/77/94/501347794.db2.gz JAQBCIYGYBJHPK-SFHVURJKSA-N 2 1 366.440 3.002 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457978601 501348895 /nfs/dbraw/zinc/34/88/95/501348895.db2.gz KFAZPSZDGGVNBY-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000458416581 501439802 /nfs/dbraw/zinc/43/98/02/501439802.db2.gz QIXQCSUXIJMOEQ-WIYYLYMNSA-N 2 1 372.557 3.336 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458486395 501455518 /nfs/dbraw/zinc/45/55/18/501455518.db2.gz GPKCAXLTPUEFDT-QUCCMNQESA-N 2 1 374.573 3.459 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508436 501462381 /nfs/dbraw/zinc/46/23/81/501462381.db2.gz OKNMJMTUVXAEBP-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508436 501462382 /nfs/dbraw/zinc/46/23/82/501462382.db2.gz OKNMJMTUVXAEBP-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508436 501462383 /nfs/dbraw/zinc/46/23/83/501462383.db2.gz OKNMJMTUVXAEBP-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000458514124 501463359 /nfs/dbraw/zinc/46/33/59/501463359.db2.gz CHDDILKCYUAKDG-JXFKEZNVSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458514124 501463361 /nfs/dbraw/zinc/46/33/61/501463361.db2.gz CHDDILKCYUAKDG-JXFKEZNVSA-N 2 1 369.513 3.366 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000458535125 501467755 /nfs/dbraw/zinc/46/77/55/501467755.db2.gz PMBDCQMKXLJXOL-APWZRJJASA-N 2 1 369.513 3.367 20 0 FGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000598973580 506255337 /nfs/dbraw/zinc/25/53/37/506255337.db2.gz AZPOPJQLYKUTPZ-IBGZPJMESA-N 2 1 369.509 3.420 20 0 FGADMP Cc1cc(C)c(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000454338499 501517698 /nfs/dbraw/zinc/51/76/98/501517698.db2.gz KBHXINTYQJWEAH-FQEVSTJZSA-N 2 1 352.482 3.162 20 0 FGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845174 501573002 /nfs/dbraw/zinc/57/30/02/501573002.db2.gz LAZLRKBMDYPTMG-NHCUHLMSSA-N 2 1 369.553 3.230 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000454588056 501585431 /nfs/dbraw/zinc/58/54/31/501585431.db2.gz PUGKJWLBCIUIGZ-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454588056 501585432 /nfs/dbraw/zinc/58/54/32/501585432.db2.gz PUGKJWLBCIUIGZ-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454588056 501585434 /nfs/dbraw/zinc/58/54/34/501585434.db2.gz PUGKJWLBCIUIGZ-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(I)cc2)CC1(C)C ZINC000598985899 506262031 /nfs/dbraw/zinc/26/20/31/506262031.db2.gz CZNXGJRBAXJGCN-HNNXBMFYSA-N 2 1 372.294 3.296 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619997 501593732 /nfs/dbraw/zinc/59/37/32/501593732.db2.gz OMXNUJMEUJTZQN-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619997 501593735 /nfs/dbraw/zinc/59/37/35/501593735.db2.gz OMXNUJMEUJTZQN-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619997 501593738 /nfs/dbraw/zinc/59/37/38/501593738.db2.gz OMXNUJMEUJTZQN-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000454619040 501594023 /nfs/dbraw/zinc/59/40/23/501594023.db2.gz ZXCOHTMTCXUKPV-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP c1ccc2sc(N3CCC([NH2+]C4CC[NH+](C5CC5)CC4)CC3)nc2c1 ZINC000459393197 501645747 /nfs/dbraw/zinc/64/57/47/501645747.db2.gz MIFYJINXGSXENG-UHFFFAOYSA-N 2 1 356.539 3.482 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454960858 501662441 /nfs/dbraw/zinc/66/24/41/501662441.db2.gz MLUBABZHHYVHMN-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP COc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000459693224 501699963 /nfs/dbraw/zinc/69/99/63/501699963.db2.gz HSZPQUVTBPWEJW-NRFANRHFSA-N 2 1 350.506 3.459 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457431 501702057 /nfs/dbraw/zinc/70/20/57/501702057.db2.gz NQTKMAIVSPVTHG-QUCCMNQESA-N 2 1 360.546 3.101 20 0 FGADMP O=C(NCC[N@@H+]1CC=CCC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000474249492 501759872 /nfs/dbraw/zinc/75/98/72/501759872.db2.gz RMHKAQKCYMZXLF-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1I ZINC000467381975 501781788 /nfs/dbraw/zinc/78/17/88/501781788.db2.gz OBPFMBHLBTZHGT-LSDHHAIUSA-N 2 1 370.278 3.316 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300180 501782166 /nfs/dbraw/zinc/78/21/66/501782166.db2.gz XRSZIZZAUHZXBJ-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300180 501782170 /nfs/dbraw/zinc/78/21/70/501782170.db2.gz XRSZIZZAUHZXBJ-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000467384280 501783058 /nfs/dbraw/zinc/78/30/58/501783058.db2.gz WMMPVMWJZJFWGV-MOUTVQLLSA-N 2 1 364.533 3.399 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474339226 501796550 /nfs/dbraw/zinc/79/65/50/501796550.db2.gz VEEFYBAUVOQJIT-VIQWUECVSA-N 2 1 364.578 3.203 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](Cc1ccco1)C1CCCC1)c1ccccc1 ZINC000460381080 501810442 /nfs/dbraw/zinc/81/04/42/501810442.db2.gz PZMRMVWZDUVNBM-OAQYLSRUSA-N 2 1 369.509 3.443 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1ccco1)C1CCCC1)c1ccccc1 ZINC000460381080 501810448 /nfs/dbraw/zinc/81/04/48/501810448.db2.gz PZMRMVWZDUVNBM-OAQYLSRUSA-N 2 1 369.509 3.443 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000481554676 501812803 /nfs/dbraw/zinc/81/28/03/501812803.db2.gz BFGZHXIXCFVAOI-RKVPGOIHSA-N 2 1 366.347 3.205 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1 ZINC000481554674 501813380 /nfs/dbraw/zinc/81/33/80/501813380.db2.gz BFGZHXIXCFVAOI-IIDMSEBBSA-N 2 1 366.347 3.205 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000611728252 506275247 /nfs/dbraw/zinc/27/52/47/506275247.db2.gz GUHWKHNQSRISBI-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000611728252 506275253 /nfs/dbraw/zinc/27/52/53/506275253.db2.gz GUHWKHNQSRISBI-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000611728252 506275263 /nfs/dbraw/zinc/27/52/63/506275263.db2.gz GUHWKHNQSRISBI-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000592850137 506276149 /nfs/dbraw/zinc/27/61/49/506276149.db2.gz FLAWDLLXCPTOKZ-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000592850137 506276151 /nfs/dbraw/zinc/27/61/51/506276151.db2.gz FLAWDLLXCPTOKZ-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000474464893 501845124 /nfs/dbraw/zinc/84/51/24/501845124.db2.gz VGDZSZTYXFPBHP-YADHBBJMSA-N 2 1 359.558 3.119 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCOCCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471011016 501891980 /nfs/dbraw/zinc/89/19/80/501891980.db2.gz YXRVYQPSMZNYHQ-SZPZYZBQSA-N 2 1 366.505 3.146 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CCOCCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471011016 501891985 /nfs/dbraw/zinc/89/19/85/501891985.db2.gz YXRVYQPSMZNYHQ-SZPZYZBQSA-N 2 1 366.505 3.146 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CCOCCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471011016 501891990 /nfs/dbraw/zinc/89/19/90/501891990.db2.gz YXRVYQPSMZNYHQ-SZPZYZBQSA-N 2 1 366.505 3.146 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOCCOc4ccccc4)C[C@@H]3C2)cc1 ZINC000471011016 501891995 /nfs/dbraw/zinc/89/19/95/501891995.db2.gz YXRVYQPSMZNYHQ-SZPZYZBQSA-N 2 1 366.505 3.146 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000468018782 501931232 /nfs/dbraw/zinc/93/12/32/501931232.db2.gz BKFFWCVILANQLB-VDGAXYAQSA-N 2 1 362.514 3.245 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000468018782 501931236 /nfs/dbraw/zinc/93/12/36/501931236.db2.gz BKFFWCVILANQLB-VDGAXYAQSA-N 2 1 362.514 3.245 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244292 501966193 /nfs/dbraw/zinc/96/61/93/501966193.db2.gz PFOXBUREHOXWQN-PBHICJAKSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244292 501966199 /nfs/dbraw/zinc/96/61/99/501966199.db2.gz PFOXBUREHOXWQN-PBHICJAKSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244292 501966203 /nfs/dbraw/zinc/96/62/03/501966203.db2.gz PFOXBUREHOXWQN-PBHICJAKSA-N 2 1 355.320 3.490 20 0 FGADMP Cc1ccc2c(C)cc(NCc3ccccc3C[N@@H+]3CC[C@@H](O)C3)[nH+]c2c1 ZINC000460962795 501973029 /nfs/dbraw/zinc/97/30/29/501973029.db2.gz YEELVYPXTVPFBO-HXUWFJFHSA-N 2 1 361.489 3.452 20 0 FGADMP Cc1ccc2c(C)cc(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)[nH+]c2c1 ZINC000460962795 501973036 /nfs/dbraw/zinc/97/30/36/501973036.db2.gz YEELVYPXTVPFBO-HXUWFJFHSA-N 2 1 361.489 3.452 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCCc1cccs1 ZINC000482129811 501983621 /nfs/dbraw/zinc/98/36/21/501983621.db2.gz UBEPNDICLDTMPJ-AOIWGVFYSA-N 2 1 365.587 3.286 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000482132793 501984132 /nfs/dbraw/zinc/98/41/32/501984132.db2.gz BWINZWYRKTYCQW-WMZOPIPTSA-N 2 1 363.571 3.123 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1sccc1C ZINC000482148197 501990413 /nfs/dbraw/zinc/99/04/13/501990413.db2.gz YWSAZBFOMYBJML-SJORKVTESA-N 2 1 351.560 3.163 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)C1 ZINC000474944604 502000365 /nfs/dbraw/zinc/00/03/65/502000365.db2.gz SRWDLFMMBYMVFL-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513530 502005895 /nfs/dbraw/zinc/00/58/95/502005895.db2.gz BZRBJHNWDPWXKA-TZIWHRDSSA-N 2 1 366.509 3.082 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000475029073 502027264 /nfs/dbraw/zinc/02/72/64/502027264.db2.gz BUXVSLZDGAPSPN-NRFANRHFSA-N 2 1 371.500 3.455 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000475031665 502027632 /nfs/dbraw/zinc/02/76/32/502027632.db2.gz KFBSVGOLVLSORR-UEXGIBASSA-N 2 1 352.563 3.139 20 0 FGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000468426895 502055417 /nfs/dbraw/zinc/05/54/17/502055417.db2.gz FOIGPTMWYAMBGD-PCCBWWKXSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642188 506291506 /nfs/dbraw/zinc/29/15/06/506291506.db2.gz ZMDWTKDRQLMDQT-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642188 506291514 /nfs/dbraw/zinc/29/15/14/506291514.db2.gz ZMDWTKDRQLMDQT-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000588642188 506291519 /nfs/dbraw/zinc/29/15/19/506291519.db2.gz ZMDWTKDRQLMDQT-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000588642188 506291525 /nfs/dbraw/zinc/29/15/25/506291525.db2.gz ZMDWTKDRQLMDQT-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccc2nc(CSCC(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)cn2c1 ZINC000468495536 502080875 /nfs/dbraw/zinc/08/08/75/502080875.db2.gz IHGICDNSFAJENL-QGZVFWFLSA-N 2 1 374.554 3.113 20 0 FGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000468552033 502103115 /nfs/dbraw/zinc/10/31/15/502103115.db2.gz FTPCFBAXYSYNOW-WMZHIEFXSA-N 2 1 368.521 3.243 20 0 FGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000468552033 502103121 /nfs/dbraw/zinc/10/31/21/502103121.db2.gz FTPCFBAXYSYNOW-WMZHIEFXSA-N 2 1 368.521 3.243 20 0 FGADMP CCSc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000486269978 502105707 /nfs/dbraw/zinc/10/57/07/502105707.db2.gz LFBOANMYOMFCHV-GOSISDBHSA-N 2 1 363.571 3.287 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471845413 502152266 /nfs/dbraw/zinc/15/22/66/502152266.db2.gz OGAOZJCNKWEMOG-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000472040629 502208993 /nfs/dbraw/zinc/20/89/93/502208993.db2.gz GXGADNKSFSHASX-RXVVDRJESA-N 2 1 353.510 3.316 20 0 FGADMP C[C@@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472040629 502208996 /nfs/dbraw/zinc/20/89/96/502208996.db2.gz GXGADNKSFSHASX-RXVVDRJESA-N 2 1 353.510 3.316 20 0 FGADMP CCSc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482904455 502212910 /nfs/dbraw/zinc/21/29/10/502212910.db2.gz RJJLPNFCFKFDRW-INIZCTEOSA-N 2 1 363.571 3.392 20 0 FGADMP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000468888010 502219048 /nfs/dbraw/zinc/21/90/48/502219048.db2.gz HUKOQVHHJIOMEM-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000468888010 502219054 /nfs/dbraw/zinc/21/90/54/502219054.db2.gz HUKOQVHHJIOMEM-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472089873 502227681 /nfs/dbraw/zinc/22/76/81/502227681.db2.gz XFZQUFPMCJCLKH-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)c1 ZINC000468922543 502231866 /nfs/dbraw/zinc/23/18/66/502231866.db2.gz JOUYVDGYZZHRPE-QFIPXVFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+]2Cc2ccccc2)c1 ZINC000468922543 502231868 /nfs/dbraw/zinc/23/18/68/502231868.db2.gz JOUYVDGYZZHRPE-QFIPXVFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000468922543 502231872 /nfs/dbraw/zinc/23/18/72/502231872.db2.gz JOUYVDGYZZHRPE-QFIPXVFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000468922543 502231877 /nfs/dbraw/zinc/23/18/77/502231877.db2.gz JOUYVDGYZZHRPE-QFIPXVFZSA-N 2 1 365.521 3.418 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)cc3cccnc32)CC1 ZINC000475629240 502234918 /nfs/dbraw/zinc/23/49/18/502234918.db2.gz UYNDWJGXYCTUPU-UHFFFAOYSA-N 2 1 352.413 3.100 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479367133 502236724 /nfs/dbraw/zinc/23/67/24/502236724.db2.gz VUHURRGZBGEWCZ-SFHVURJKSA-N 2 1 367.331 3.263 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000465406656 502252744 /nfs/dbraw/zinc/25/27/44/502252744.db2.gz JMSLEIQPWQWTDW-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475726406 502266178 /nfs/dbraw/zinc/26/61/78/502266178.db2.gz SXDOYIMJXFPBKN-SFHVURJKSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475726406 502266183 /nfs/dbraw/zinc/26/61/83/502266183.db2.gz SXDOYIMJXFPBKN-SFHVURJKSA-N 2 1 361.461 3.413 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000462014435 502274476 /nfs/dbraw/zinc/27/44/76/502274476.db2.gz ZIYFOZRMOPKIHV-INIZCTEOSA-N 2 1 368.953 3.142 20 0 FGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479537774 502289940 /nfs/dbraw/zinc/28/99/40/502289940.db2.gz AMNGZBVMGSQJRM-DZVQBONVSA-N 2 1 357.542 3.055 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544394 502300496 /nfs/dbraw/zinc/30/04/96/502300496.db2.gz OKWWFJXCNKSNLT-VAMGGRTRSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)C[C@H](C)O1 ZINC000486965325 502317673 /nfs/dbraw/zinc/31/76/73/502317673.db2.gz IRMHQDJUEOSULE-HDAKTPJGSA-N 2 1 351.494 3.494 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000486966118 502317979 /nfs/dbraw/zinc/31/79/79/502317979.db2.gz JUYGWFFRTWIZDA-UHFFFAOYSA-N 2 1 353.938 3.246 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000479693626 502347151 /nfs/dbraw/zinc/34/71/51/502347151.db2.gz XVBVLGIVXNSFGX-JOCHJYFZSA-N 2 1 365.521 3.424 20 0 FGADMP COc1cc(OC)cc(OCCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000472435527 502350422 /nfs/dbraw/zinc/35/04/22/502350422.db2.gz SQJIOXMSHYDBEN-KRWDZBQOSA-N 2 1 350.503 3.279 20 0 FGADMP COc1cc(OC)cc(OCCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000472435527 502350423 /nfs/dbraw/zinc/35/04/23/502350423.db2.gz SQJIOXMSHYDBEN-KRWDZBQOSA-N 2 1 350.503 3.279 20 0 FGADMP COc1cc(OC)cc(OCCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000472435527 502350426 /nfs/dbraw/zinc/35/04/26/502350426.db2.gz SQJIOXMSHYDBEN-KRWDZBQOSA-N 2 1 350.503 3.279 20 0 FGADMP Cc1cc(CNC(=O)NCCC[NH2+]C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000462255089 502369809 /nfs/dbraw/zinc/36/98/09/502369809.db2.gz DGHURDPFJKTJFK-UHFFFAOYSA-N 2 1 373.545 3.102 20 0 FGADMP [NH3+]CCC[N@@H+](CCC(=O)NCc1ccccc1Cl)Cc1ccccc1 ZINC000479782099 502376472 /nfs/dbraw/zinc/37/64/72/502376472.db2.gz PDXARBUETLWHBJ-UHFFFAOYSA-N 2 1 359.901 3.197 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000479816081 502386358 /nfs/dbraw/zinc/38/63/58/502386358.db2.gz PCGLTBMGOCAUFS-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000469438429 502418955 /nfs/dbraw/zinc/41/89/55/502418955.db2.gz KLLJGCKAQUXSHU-HKBOAZHASA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000469438429 502418961 /nfs/dbraw/zinc/41/89/61/502418961.db2.gz KLLJGCKAQUXSHU-HKBOAZHASA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000469438429 502418964 /nfs/dbraw/zinc/41/89/64/502418964.db2.gz KLLJGCKAQUXSHU-HKBOAZHASA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903803 502421661 /nfs/dbraw/zinc/42/16/61/502421661.db2.gz DUQJXICTHXBUGQ-PZJWPPBQSA-N 2 1 374.573 3.422 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903799 502422383 /nfs/dbraw/zinc/42/23/83/502422383.db2.gz DUQJXICTHXBUGQ-CTNGQTDRSA-N 2 1 374.573 3.422 20 0 FGADMP c1csc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479941939 502426557 /nfs/dbraw/zinc/42/65/57/502426557.db2.gz OBSMPGJGDLDVLN-IYBDPMFKSA-N 2 1 350.491 3.252 20 0 FGADMP c1csc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479941939 502426563 /nfs/dbraw/zinc/42/65/63/502426563.db2.gz OBSMPGJGDLDVLN-IYBDPMFKSA-N 2 1 350.491 3.252 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950162 502437275 /nfs/dbraw/zinc/43/72/75/502437275.db2.gz MBCBGCFRYRHKOY-TZIWHRDSSA-N 2 1 374.573 3.156 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483676105 502458890 /nfs/dbraw/zinc/45/88/90/502458890.db2.gz FFQIXFAWZZLQEK-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466038655 502462479 /nfs/dbraw/zinc/46/24/79/502462479.db2.gz KVUDQYVHOOWDSX-IAGOWNOFSA-N 2 1 366.575 3.084 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527419 502475972 /nfs/dbraw/zinc/47/59/72/502475972.db2.gz RKNIZDIFIGXRKI-SVFBPWRDSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527419 502475976 /nfs/dbraw/zinc/47/59/76/502475976.db2.gz RKNIZDIFIGXRKI-SVFBPWRDSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527419 502475977 /nfs/dbraw/zinc/47/59/77/502475977.db2.gz RKNIZDIFIGXRKI-SVFBPWRDSA-N 2 1 374.573 3.410 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483735685 502479512 /nfs/dbraw/zinc/47/95/12/502479512.db2.gz ZNQXIHUKIHILBU-AABGKKOBSA-N 2 1 366.594 3.257 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000466154551 502491449 /nfs/dbraw/zinc/49/14/49/502491449.db2.gz TUYKJWHISSBZFI-MTQWCTHYSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1C ZINC000483792449 502494375 /nfs/dbraw/zinc/49/43/75/502494375.db2.gz VBPMZEIXSHJWIL-XLIONFOSSA-N 2 1 364.578 3.298 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000483799126 502495619 /nfs/dbraw/zinc/49/56/19/502495619.db2.gz KVJWZLKSAIHXKG-QRVBRYPASA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000483799126 502495622 /nfs/dbraw/zinc/49/56/22/502495622.db2.gz KVJWZLKSAIHXKG-QRVBRYPASA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000483799126 502495627 /nfs/dbraw/zinc/49/56/27/502495627.db2.gz KVJWZLKSAIHXKG-QRVBRYPASA-N 2 1 366.594 3.401 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000588711613 506316831 /nfs/dbraw/zinc/31/68/31/506316831.db2.gz SRZISJMIXLYVNN-OALUTQOASA-N 2 1 368.525 3.194 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H]1C ZINC000469682633 502500657 /nfs/dbraw/zinc/50/06/57/502500657.db2.gz JCEOWAMEKAMSCW-OXQOHEQNSA-N 2 1 352.482 3.192 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747154 502520985 /nfs/dbraw/zinc/52/09/85/502520985.db2.gz FRCFCQJEBRCCEL-QKWWCAPFSA-N 2 1 361.505 3.104 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000473180593 502537749 /nfs/dbraw/zinc/53/77/49/502537749.db2.gz DHLTTWPKCFVSPP-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC1 ZINC000462750002 502556520 /nfs/dbraw/zinc/55/65/20/502556520.db2.gz LKNQGNRBPSKCIK-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP CC[NH+]1CCCN(C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462750002 502556521 /nfs/dbraw/zinc/55/65/21/502556521.db2.gz LKNQGNRBPSKCIK-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC1 ZINC000462750001 502557107 /nfs/dbraw/zinc/55/71/07/502557107.db2.gz LKNQGNRBPSKCIK-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP CC[NH+]1CCCN(C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000462750001 502557111 /nfs/dbraw/zinc/55/71/11/502557111.db2.gz LKNQGNRBPSKCIK-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000487893870 502559363 /nfs/dbraw/zinc/55/93/63/502559363.db2.gz ILHBWKATKOBIOF-QFIPXVFZSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466421344 502566431 /nfs/dbraw/zinc/56/64/31/502566431.db2.gz DGIDSIDAPKSWMG-PZJWPPBQSA-N 2 1 372.557 3.071 20 0 FGADMP CN(Cc1cc(Br)cc2c1OCC2)C[C@H]1CCC[N@@H+](C)C1 ZINC000462785160 502571473 /nfs/dbraw/zinc/57/14/73/502571473.db2.gz NFRXIEKQOPEDKT-ZDUSSCGKSA-N 2 1 353.304 3.158 20 0 FGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469865753 502574494 /nfs/dbraw/zinc/57/44/94/502574494.db2.gz YZCIZYNBHKKHID-VQIMIIECSA-N 2 1 363.933 3.037 20 0 FGADMP CCC[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870496 502577615 /nfs/dbraw/zinc/57/76/15/502577615.db2.gz JJAFNXJPMMVUNV-NRSPTQNISA-N 2 1 357.542 3.151 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000469884057 502583366 /nfs/dbraw/zinc/58/33/66/502583366.db2.gz YHQCDOVDMVNNRR-DETPVDSQSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000469884057 502583370 /nfs/dbraw/zinc/58/33/70/502583370.db2.gz YHQCDOVDMVNNRR-DETPVDSQSA-N 2 1 369.303 3.026 20 0 FGADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000462904195 502620731 /nfs/dbraw/zinc/62/07/31/502620731.db2.gz DZBXBAMUAUAGBR-HXUWFJFHSA-N 2 1 358.457 3.081 20 0 FGADMP CCC[N@H+](Cc1cccnc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000488221592 502662925 /nfs/dbraw/zinc/66/29/25/502662925.db2.gz PNTFMROMIKICLF-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1cccnc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000488221592 502662929 /nfs/dbraw/zinc/66/29/29/502662929.db2.gz PNTFMROMIKICLF-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1(C)C ZINC000463026840 502665392 /nfs/dbraw/zinc/66/53/92/502665392.db2.gz AUIXDKJEWIQIQQ-IVAOSVALSA-N 2 1 360.542 3.051 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1(C)C ZINC000463026840 502665397 /nfs/dbraw/zinc/66/53/97/502665397.db2.gz AUIXDKJEWIQIQQ-IVAOSVALSA-N 2 1 360.542 3.051 20 0 FGADMP CCCN(CC[N@@H+]1CCCOCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000463074536 502684723 /nfs/dbraw/zinc/68/47/23/502684723.db2.gz GMDAIMHLJYFDLJ-QFIPXVFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCN(CC[N@H+]1CCCOCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000463074536 502684727 /nfs/dbraw/zinc/68/47/27/502684727.db2.gz GMDAIMHLJYFDLJ-QFIPXVFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCN(CC[NH+]1CCCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000463074536 502684733 /nfs/dbraw/zinc/68/47/33/502684733.db2.gz GMDAIMHLJYFDLJ-QFIPXVFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCN(CC[NH+]1CCCOCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000463074536 502684739 /nfs/dbraw/zinc/68/47/39/502684739.db2.gz GMDAIMHLJYFDLJ-QFIPXVFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000473730313 502689679 /nfs/dbraw/zinc/68/96/79/502689679.db2.gz FSWGTDLHZDMCRB-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000473730313 502689669 /nfs/dbraw/zinc/68/96/69/502689669.db2.gz FSWGTDLHZDMCRB-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000473730313 502689674 /nfs/dbraw/zinc/68/96/74/502689674.db2.gz FSWGTDLHZDMCRB-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000466834756 502698518 /nfs/dbraw/zinc/69/85/18/502698518.db2.gz ZVGLEZDGZSCDSK-UHFFFAOYSA-N 2 1 361.921 3.475 20 0 FGADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693546 502710629 /nfs/dbraw/zinc/71/06/29/502710629.db2.gz GNTYMIOKMFIJRZ-ZSYWTGECSA-N 2 1 364.578 3.011 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000477223687 502712028 /nfs/dbraw/zinc/71/20/28/502712028.db2.gz QMKBGRCXRMWUQP-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000477292494 502732328 /nfs/dbraw/zinc/73/23/28/502732328.db2.gz TXPRIKBYRUUMPA-SFHVURJKSA-N 2 1 366.594 3.499 20 0 FGADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2)C1 ZINC000588764081 506330924 /nfs/dbraw/zinc/33/09/24/506330924.db2.gz QOGXHKNVDGOHQK-IBGZPJMESA-N 2 1 373.541 3.360 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2)C1 ZINC000588764081 506330932 /nfs/dbraw/zinc/33/09/32/506330932.db2.gz QOGXHKNVDGOHQK-IBGZPJMESA-N 2 1 373.541 3.360 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000488513703 502737448 /nfs/dbraw/zinc/73/74/48/502737448.db2.gz HUMLGTQRSXHXNJ-GHTZIAJQSA-N 2 1 357.542 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481039585 502737920 /nfs/dbraw/zinc/73/79/20/502737920.db2.gz RRHVKWRBSZKEAU-TUFLPTIASA-N 2 1 353.595 3.224 20 0 FGADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484788103 502739960 /nfs/dbraw/zinc/73/99/60/502739960.db2.gz ICTIZTVCPYYQPN-YSFYHYPLSA-N 2 1 358.526 3.217 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000463276218 502743620 /nfs/dbraw/zinc/74/36/20/502743620.db2.gz OYGDVTHZDBDOID-GUMYABAYSA-N 2 1 368.525 3.201 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000463276218 502743621 /nfs/dbraw/zinc/74/36/21/502743621.db2.gz OYGDVTHZDBDOID-GUMYABAYSA-N 2 1 368.525 3.201 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470366102 502751814 /nfs/dbraw/zinc/75/18/14/502751814.db2.gz CFMQSJAGZFYPLD-MRXNPFEDSA-N 2 1 365.477 3.263 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000481164822 502771014 /nfs/dbraw/zinc/77/10/14/502771014.db2.gz HYKXDIDUCZOMJZ-VLFNSIGCSA-N 2 1 357.542 3.180 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000474007207 502778423 /nfs/dbraw/zinc/77/84/23/502778423.db2.gz DASFMJZCUIVLHW-LJQANCHMSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000474007207 502778426 /nfs/dbraw/zinc/77/84/26/502778426.db2.gz DASFMJZCUIVLHW-LJQANCHMSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000474007207 502778428 /nfs/dbraw/zinc/77/84/28/502778428.db2.gz DASFMJZCUIVLHW-LJQANCHMSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000481207546 502783774 /nfs/dbraw/zinc/78/37/74/502783774.db2.gz XFGWRCJJKBITTQ-QTTNWMCISA-N 2 1 371.569 3.428 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000481207546 502783777 /nfs/dbraw/zinc/78/37/77/502783777.db2.gz XFGWRCJJKBITTQ-QTTNWMCISA-N 2 1 371.569 3.428 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992053 502794323 /nfs/dbraw/zinc/79/43/23/502794323.db2.gz XFRJUYPNLUZZMH-XERREHJYSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992053 502794326 /nfs/dbraw/zinc/79/43/26/502794326.db2.gz XFRJUYPNLUZZMH-XERREHJYSA-N 2 1 371.912 3.215 20 0 FGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044354 502809327 /nfs/dbraw/zinc/80/93/27/502809327.db2.gz VVKODCBJHZQRFY-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485044354 502809332 /nfs/dbraw/zinc/80/93/32/502809332.db2.gz VVKODCBJHZQRFY-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485044354 502809336 /nfs/dbraw/zinc/80/93/36/502809336.db2.gz VVKODCBJHZQRFY-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877566 502817857 /nfs/dbraw/zinc/81/78/57/502817857.db2.gz VNVYHWIEBXWJKG-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504877566 502817859 /nfs/dbraw/zinc/81/78/59/502817859.db2.gz VNVYHWIEBXWJKG-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504877566 502817861 /nfs/dbraw/zinc/81/78/61/502817861.db2.gz VNVYHWIEBXWJKG-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@@H](C)C1 ZINC000509154933 502834250 /nfs/dbraw/zinc/83/42/50/502834250.db2.gz PEHXNPUWTOLXPS-HOCLYGCPSA-N 2 1 370.440 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@@H](C)C1 ZINC000509154933 502834255 /nfs/dbraw/zinc/83/42/55/502834255.db2.gz PEHXNPUWTOLXPS-HOCLYGCPSA-N 2 1 370.440 3.235 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823339 502871045 /nfs/dbraw/zinc/87/10/45/502871045.db2.gz AHIOIELRCWCHDR-RTWAWAEBSA-N 2 1 372.557 3.387 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076222 502875074 /nfs/dbraw/zinc/87/50/74/502875074.db2.gz POWOBAKYNYVWPB-IFMALSPDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489076222 502875075 /nfs/dbraw/zinc/87/50/75/502875075.db2.gz POWOBAKYNYVWPB-IFMALSPDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489076222 502875077 /nfs/dbraw/zinc/87/50/77/502875077.db2.gz POWOBAKYNYVWPB-IFMALSPDSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180983 502895205 /nfs/dbraw/zinc/89/52/05/502895205.db2.gz HDHYSQNELLOVOY-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180983 502895210 /nfs/dbraw/zinc/89/52/10/502895210.db2.gz HDHYSQNELLOVOY-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180983 502895212 /nfs/dbraw/zinc/89/52/12/502895212.db2.gz HDHYSQNELLOVOY-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP CCc1ccc([C@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[NH2+]2)cc1 ZINC000505467465 502909405 /nfs/dbraw/zinc/90/94/05/502909405.db2.gz GBHYNUZCCQTLMK-OAQYLSRUSA-N 2 1 351.494 3.097 20 0 FGADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025614 502915290 /nfs/dbraw/zinc/91/52/90/502915290.db2.gz ZKGGZFJGCSZWJR-CEXWTWQISA-N 2 1 372.557 3.123 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033390 502916763 /nfs/dbraw/zinc/91/67/63/502916763.db2.gz CRQHNYXXLDRHOK-AABGKKOBSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033390 502916766 /nfs/dbraw/zinc/91/67/66/502916766.db2.gz CRQHNYXXLDRHOK-AABGKKOBSA-N 2 1 374.525 3.325 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000501043681 502920470 /nfs/dbraw/zinc/92/04/70/502920470.db2.gz DIXKDLDZIOHIPO-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000501043681 502920472 /nfs/dbraw/zinc/92/04/72/502920472.db2.gz DIXKDLDZIOHIPO-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000501043681 502920475 /nfs/dbraw/zinc/92/04/75/502920475.db2.gz DIXKDLDZIOHIPO-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501046903 502921614 /nfs/dbraw/zinc/92/16/14/502921614.db2.gz CFTCKPHUAVVHEE-UHFFFAOYSA-N 2 1 352.482 3.177 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000501062267 502925432 /nfs/dbraw/zinc/92/54/32/502925432.db2.gz IKDDCNKACQAVQL-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000501062267 502925436 /nfs/dbraw/zinc/92/54/36/502925436.db2.gz IKDDCNKACQAVQL-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000501062267 502925439 /nfs/dbraw/zinc/92/54/39/502925439.db2.gz IKDDCNKACQAVQL-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064875 502926142 /nfs/dbraw/zinc/92/61/42/502926142.db2.gz ZPVGXTLHSGAACT-MRXNPFEDSA-N 2 1 370.472 3.396 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149873 502949569 /nfs/dbraw/zinc/94/95/69/502949569.db2.gz IFJZANOMJFIRAI-KZNAEPCWSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500017 502953094 /nfs/dbraw/zinc/95/30/94/502953094.db2.gz KKIBCKSVZKVCOA-NVXWUHKLSA-N 2 1 357.523 3.237 20 0 FGADMP CCCc1nc2ccccc2n1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000505658597 502961676 /nfs/dbraw/zinc/96/16/76/502961676.db2.gz ORYFBFWYABJJDB-QFIPXVFZSA-N 2 1 368.525 3.323 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516727 502976123 /nfs/dbraw/zinc/97/61/23/502976123.db2.gz TZAYOUXNGGUKQX-FPOVZHCZSA-N 2 1 374.573 3.126 20 0 FGADMP Cc1ccc(C)c(OCCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000497510064 502977013 /nfs/dbraw/zinc/97/70/13/502977013.db2.gz XUJPMOHYFDZKBB-CBQGHPETSA-N 2 1 371.569 3.315 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000513656265 502992722 /nfs/dbraw/zinc/99/27/22/502992722.db2.gz QYWTVYRKAJPXIN-XHSDSOJGSA-N 2 1 353.304 3.420 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388316 502998963 /nfs/dbraw/zinc/99/89/63/502998963.db2.gz UCVCAEMMOMFERP-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388316 502998967 /nfs/dbraw/zinc/99/89/67/502998967.db2.gz UCVCAEMMOMFERP-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501388316 502998970 /nfs/dbraw/zinc/99/89/70/502998970.db2.gz UCVCAEMMOMFERP-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000489632198 503001533 /nfs/dbraw/zinc/00/15/33/503001533.db2.gz GILHMELCEWYPKT-JOCHJYFZSA-N 2 1 368.521 3.270 20 0 FGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000513708935 503006029 /nfs/dbraw/zinc/00/60/29/503006029.db2.gz ZKHSDVVYDSAHNN-PELRDEGISA-N 2 1 357.542 3.420 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000501417366 503006955 /nfs/dbraw/zinc/00/69/55/503006955.db2.gz AWDLATXTGUHWEY-UHFFFAOYSA-N 2 1 354.494 3.380 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000506016554 503029536 /nfs/dbraw/zinc/02/95/36/503029536.db2.gz IUMIERUYFLELGJ-XMSQKQJNSA-N 2 1 365.521 3.133 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028089 503072509 /nfs/dbraw/zinc/07/25/09/503072509.db2.gz ZOMSCIGTMKNWOR-PZJWPPBQSA-N 2 1 372.557 3.243 20 0 FGADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[NH+]2CCCC2)c1 ZINC000514093527 503085853 /nfs/dbraw/zinc/08/58/53/503085853.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093527 503085857 /nfs/dbraw/zinc/08/58/57/503085857.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093527 503085858 /nfs/dbraw/zinc/08/58/58/503085858.db2.gz JIAHOHXJAWEGLP-CBPXPLCBSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[NH+]2CCCC2)c1 ZINC000514093530 503086239 /nfs/dbraw/zinc/08/62/39/503086239.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093530 503086243 /nfs/dbraw/zinc/08/62/43/503086243.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093530 503086246 /nfs/dbraw/zinc/08/62/46/503086246.db2.gz JIAHOHXJAWEGLP-YSFYHYPLSA-N 2 1 357.542 3.295 20 0 FGADMP CC(C)C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514144670 503097316 /nfs/dbraw/zinc/09/73/16/503097316.db2.gz HMPWLZWCZVCICF-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116333 503111808 /nfs/dbraw/zinc/11/18/08/503111808.db2.gz DJRNHYAGPGVKDB-UXHICEINSA-N 2 1 357.473 3.238 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)cc(F)c3)CC2)CC1 ZINC000514610974 503148778 /nfs/dbraw/zinc/14/87/78/503148778.db2.gz FIEQDTCRCKGYOT-UHFFFAOYSA-N 2 1 351.441 3.100 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655811 503151379 /nfs/dbraw/zinc/15/13/79/503151379.db2.gz RXSHYKMSGHJNMP-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655811 503151382 /nfs/dbraw/zinc/15/13/82/503151382.db2.gz RXSHYKMSGHJNMP-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655811 503151385 /nfs/dbraw/zinc/15/13/85/503151385.db2.gz RXSHYKMSGHJNMP-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000502170216 503154928 /nfs/dbraw/zinc/15/49/28/503154928.db2.gz QQQHXAOASZAJNZ-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000510671309 503169889 /nfs/dbraw/zinc/16/98/89/503169889.db2.gz PXRAVKXKUVKWKH-ICSRJNTNSA-N 2 1 361.505 3.082 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510707812 503177268 /nfs/dbraw/zinc/17/72/68/503177268.db2.gz YQUJEIZLSXLRIY-NHCUHLMSSA-N 2 1 371.525 3.016 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506828175 503180607 /nfs/dbraw/zinc/18/06/07/503180607.db2.gz SOJPPXDAIAUVEZ-SLFFLAALSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506828175 503180609 /nfs/dbraw/zinc/18/06/09/503180609.db2.gz SOJPPXDAIAUVEZ-SLFFLAALSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506828175 503180611 /nfs/dbraw/zinc/18/06/11/503180611.db2.gz SOJPPXDAIAUVEZ-SLFFLAALSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1cnc2cc(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)ccn12 ZINC000514797364 503195887 /nfs/dbraw/zinc/19/58/87/503195887.db2.gz XKZITLZSWLQELG-SFTDATJTSA-N 2 1 374.488 3.237 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473638 503205543 /nfs/dbraw/zinc/20/55/43/503205543.db2.gz DBSZIHIBZMFTQV-VGOFRKELSA-N 2 1 368.525 3.416 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000507054338 503221612 /nfs/dbraw/zinc/22/16/12/503221612.db2.gz RHYVXPAXAOSACI-NRFANRHFSA-N 2 1 371.569 3.383 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000507054338 503221614 /nfs/dbraw/zinc/22/16/14/503221614.db2.gz RHYVXPAXAOSACI-NRFANRHFSA-N 2 1 371.569 3.383 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000507054338 503221622 /nfs/dbraw/zinc/22/16/22/503221622.db2.gz RHYVXPAXAOSACI-NRFANRHFSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490775987 503227050 /nfs/dbraw/zinc/22/70/50/503227050.db2.gz ZBALNUVOGPSSHK-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490775987 503227053 /nfs/dbraw/zinc/22/70/53/503227053.db2.gz ZBALNUVOGPSSHK-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000511135883 503266354 /nfs/dbraw/zinc/26/63/54/503266354.db2.gz QQVGKVQZFXKHOI-QGZVFWFLSA-N 2 1 368.905 3.059 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000511135883 503266359 /nfs/dbraw/zinc/26/63/59/503266359.db2.gz QQVGKVQZFXKHOI-QGZVFWFLSA-N 2 1 368.905 3.059 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502781476 503270770 /nfs/dbraw/zinc/27/07/70/503270770.db2.gz MUDLDNVMUZCGOT-GOSISDBHSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000502820903 503280671 /nfs/dbraw/zinc/28/06/71/503280671.db2.gz BIQXQYYADHCTMR-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215057 503281840 /nfs/dbraw/zinc/28/18/40/503281840.db2.gz GUKHUQATFNSFLZ-NQIIRXRSSA-N 2 1 370.541 3.082 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000502847565 503288181 /nfs/dbraw/zinc/28/81/81/503288181.db2.gz SEGJDVVNAHIMKO-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502886634 503299004 /nfs/dbraw/zinc/29/90/04/503299004.db2.gz HNKYVIQLONEWGY-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499063431 503324849 /nfs/dbraw/zinc/32/48/49/503324849.db2.gz KZSNBVHWOBIAPD-LJQANCHMSA-N 2 1 361.555 3.438 20 0 FGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnc4n3CCCCC4)C1)C[NH2+]CC2 ZINC000515490780 503348921 /nfs/dbraw/zinc/34/89/21/503348921.db2.gz SEXMLOLHIGBNAE-LJQANCHMSA-N 2 1 365.525 3.030 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc21 ZINC000511648178 503361999 /nfs/dbraw/zinc/36/19/99/503361999.db2.gz LQRQNBWIBGZDOJ-OAQYLSRUSA-N 2 1 357.542 3.375 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668289 503365741 /nfs/dbraw/zinc/36/57/41/503365741.db2.gz SIHXMFWPGOTAKN-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP CC[C@@H]1C[C@@H](C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800226 503368333 /nfs/dbraw/zinc/36/83/33/503368333.db2.gz ZCACLNWRZLCOFZ-IZZBFERCSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1CN(CCCNC(=O)c2cccc(Oc3ccncc3)c2)C[C@@H](C)O1 ZINC000492461575 503370638 /nfs/dbraw/zinc/37/06/38/503370638.db2.gz DBWIUKRLKQHCJE-IAGOWNOFSA-N 2 1 369.465 3.103 20 0 FGADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507815000 503372065 /nfs/dbraw/zinc/37/20/65/503372065.db2.gz NQNFTAJGMQUNLC-RBBKRZOGSA-N 2 1 365.606 3.320 20 0 FGADMP CC[C@@H]1C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507815000 503372067 /nfs/dbraw/zinc/37/20/67/503372067.db2.gz NQNFTAJGMQUNLC-RBBKRZOGSA-N 3 1 365.606 3.320 20 0 FGADMP CC[C@@H]1C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507815000 503372069 /nfs/dbraw/zinc/37/20/69/503372069.db2.gz NQNFTAJGMQUNLC-RBBKRZOGSA-N 3 1 365.606 3.320 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958115 503404366 /nfs/dbraw/zinc/40/43/66/503404366.db2.gz VCSUZIXYEAGLMG-OTWHNJEPSA-N 2 1 372.557 3.024 20 0 FGADMP CCc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000512122305 503462626 /nfs/dbraw/zinc/46/26/26/503462626.db2.gz KXEIKXQNGFGFDS-JOCHJYFZSA-N 2 1 352.526 3.112 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494248354 503512035 /nfs/dbraw/zinc/51/20/35/503512035.db2.gz QXZCYDYCCWUGFY-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494248354 503512040 /nfs/dbraw/zinc/51/20/40/503512040.db2.gz QXZCYDYCCWUGFY-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000494248354 503512044 /nfs/dbraw/zinc/51/20/44/503512044.db2.gz QXZCYDYCCWUGFY-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000494263184 503514887 /nfs/dbraw/zinc/51/48/87/503514887.db2.gz WEMQDAHYJUTPLT-SIWPHUPXSA-N 2 1 365.521 3.441 20 0 FGADMP C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000494263184 503514889 /nfs/dbraw/zinc/51/48/89/503514889.db2.gz WEMQDAHYJUTPLT-SIWPHUPXSA-N 2 1 365.521 3.441 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000516488608 503519813 /nfs/dbraw/zinc/51/98/13/503519813.db2.gz YAEDAAPEXXFKCT-OWCLPIDISA-N 2 1 358.511 3.023 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@H](c2nccn2C)C1 ZINC000516488608 503519817 /nfs/dbraw/zinc/51/98/17/503519817.db2.gz YAEDAAPEXXFKCT-OWCLPIDISA-N 2 1 358.511 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326223 503526200 /nfs/dbraw/zinc/52/62/00/503526200.db2.gz GLMMJXRNJQEAJS-UWJYYQICSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494326223 503526205 /nfs/dbraw/zinc/52/62/05/503526205.db2.gz GLMMJXRNJQEAJS-UWJYYQICSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494326223 503526208 /nfs/dbraw/zinc/52/62/08/503526208.db2.gz GLMMJXRNJQEAJS-UWJYYQICSA-N 2 1 355.526 3.304 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570880 503539472 /nfs/dbraw/zinc/53/94/72/503539472.db2.gz ISCZWVHADFVSCG-ROUUACIJSA-N 2 1 372.488 3.438 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512407565 503539859 /nfs/dbraw/zinc/53/98/59/503539859.db2.gz WMVPTGWQBPVRNQ-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430984 503549138 /nfs/dbraw/zinc/54/91/38/503549138.db2.gz WIJKFYZVFNEYTI-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000504420580 503572588 /nfs/dbraw/zinc/57/25/88/503572588.db2.gz XIPMLRKQDRZZLW-UXHICEINSA-N 2 1 360.546 3.192 20 0 FGADMP C(=C\C[N@@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657465 503586047 /nfs/dbraw/zinc/58/60/47/503586047.db2.gz UATGBYLCOYIEOS-AUSJAXNVSA-N 2 1 362.558 3.325 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C1 ZINC000582715078 506381230 /nfs/dbraw/zinc/38/12/30/506381230.db2.gz LAQDIDLMORPEFC-LQWHRVPQSA-N 2 1 372.557 3.045 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000512693377 503614521 /nfs/dbraw/zinc/61/45/21/503614521.db2.gz IMLLHSYCFYZEKN-OALUTQOASA-N 2 1 366.594 3.400 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccccc1C(F)(F)F ZINC000516965803 503632656 /nfs/dbraw/zinc/63/26/56/503632656.db2.gz MSGPBVMBZYOALS-OFLPRAFFSA-N 2 1 356.432 3.215 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000517064012 503653604 /nfs/dbraw/zinc/65/36/04/503653604.db2.gz RZGLYEMDWXSXGM-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517064012 503653608 /nfs/dbraw/zinc/65/36/08/503653608.db2.gz RZGLYEMDWXSXGM-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000517064012 503653612 /nfs/dbraw/zinc/65/36/12/503653612.db2.gz RZGLYEMDWXSXGM-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000536695050 503685415 /nfs/dbraw/zinc/68/54/15/503685415.db2.gz JGVVFZQRZMYMQN-MRXNPFEDSA-N 2 1 364.921 3.159 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000536695050 503685421 /nfs/dbraw/zinc/68/54/21/503685421.db2.gz JGVVFZQRZMYMQN-MRXNPFEDSA-N 2 1 364.921 3.159 20 0 FGADMP COCC[NH+]1CCC([NH2+]CCc2nc3cc(Cl)ccc3s2)CC1 ZINC000540157057 503692148 /nfs/dbraw/zinc/69/21/48/503692148.db2.gz ZYJWZICWLHQGPL-UHFFFAOYSA-N 2 1 353.919 3.193 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000536722638 503696790 /nfs/dbraw/zinc/69/67/90/503696790.db2.gz VCRDZNSUHJBGNT-UHFFFAOYSA-N 2 1 360.546 3.423 20 0 FGADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000543294155 503713660 /nfs/dbraw/zinc/71/36/60/503713660.db2.gz JZPKMNJZESFQAW-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000543294155 503713664 /nfs/dbraw/zinc/71/36/64/503713664.db2.gz JZPKMNJZESFQAW-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP C[C@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000543294155 503713671 /nfs/dbraw/zinc/71/36/71/503713671.db2.gz JZPKMNJZESFQAW-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000495257871 503714118 /nfs/dbraw/zinc/71/41/18/503714118.db2.gz YDSJUKFXGGJWPO-OAQYLSRUSA-N 2 1 366.505 3.175 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245589 503723207 /nfs/dbraw/zinc/72/32/07/503723207.db2.gz YMUIHXZOHGEADV-KSZLIROESA-N 2 1 364.505 3.477 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245589 503723211 /nfs/dbraw/zinc/72/32/11/503723211.db2.gz YMUIHXZOHGEADV-KSZLIROESA-N 2 1 364.505 3.477 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000540244946 503723402 /nfs/dbraw/zinc/72/34/02/503723402.db2.gz LGKUIKNJYNQGGR-KDURUIRLSA-N 2 1 360.542 3.339 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000540244946 503723407 /nfs/dbraw/zinc/72/34/07/503723407.db2.gz LGKUIKNJYNQGGR-KDURUIRLSA-N 2 1 360.542 3.339 20 0 FGADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000517387787 503732117 /nfs/dbraw/zinc/73/21/17/503732117.db2.gz OGTNBXUMLNSNOK-YWZLYKJASA-N 2 1 373.472 3.041 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000536842826 503738628 /nfs/dbraw/zinc/73/86/28/503738628.db2.gz BEUSPFCMPGYHGK-JRGCBEDISA-N 2 1 373.541 3.211 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000543406859 503758002 /nfs/dbraw/zinc/75/80/02/503758002.db2.gz MYHKBYGWNFSDJE-OFNKIYASSA-N 2 1 373.585 3.470 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)cc1)C1CC1 ZINC000530024030 503797292 /nfs/dbraw/zinc/79/72/92/503797292.db2.gz JPSQTVWPWINNEI-OAQYLSRUSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1)C1CC1 ZINC000530024030 503797303 /nfs/dbraw/zinc/79/73/03/503797303.db2.gz JPSQTVWPWINNEI-OAQYLSRUSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1)C1CC1 ZINC000530024030 503797310 /nfs/dbraw/zinc/79/73/10/503797310.db2.gz JPSQTVWPWINNEI-OAQYLSRUSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000540506041 503797657 /nfs/dbraw/zinc/79/76/57/503797657.db2.gz YCXVNZNODSKCRX-MRXNPFEDSA-N 2 1 362.543 3.206 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000517655389 503798403 /nfs/dbraw/zinc/79/84/03/503798403.db2.gz JNWLQZYZKBOMCD-SFHVURJKSA-N 2 1 367.428 3.153 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000517655389 503798409 /nfs/dbraw/zinc/79/84/09/503798409.db2.gz JNWLQZYZKBOMCD-SFHVURJKSA-N 2 1 367.428 3.153 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093264 503800313 /nfs/dbraw/zinc/80/03/13/503800313.db2.gz FPRCQRBTQFYCSE-GLHSZLCASA-N 3 1 373.585 3.126 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093264 503800319 /nfs/dbraw/zinc/80/03/19/503800319.db2.gz FPRCQRBTQFYCSE-GLHSZLCASA-N 2 1 373.585 3.126 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517702162 503812595 /nfs/dbraw/zinc/81/25/95/503812595.db2.gz METKRHNAHLMYGC-GOSISDBHSA-N 2 1 374.573 3.448 20 0 FGADMP C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000540552343 503814517 /nfs/dbraw/zinc/81/45/17/503814517.db2.gz LZXCDKMWYWAODB-MRXNPFEDSA-N 2 1 352.906 3.317 20 0 FGADMP C[NH+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000540552343 503814521 /nfs/dbraw/zinc/81/45/21/503814521.db2.gz LZXCDKMWYWAODB-MRXNPFEDSA-N 2 1 352.906 3.317 20 0 FGADMP C[NH+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000540552343 503814524 /nfs/dbraw/zinc/81/45/24/503814524.db2.gz LZXCDKMWYWAODB-MRXNPFEDSA-N 2 1 352.906 3.317 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628415 503838443 /nfs/dbraw/zinc/83/84/43/503838443.db2.gz ZTEOYXWFCFMCLG-AEFFLSMTSA-N 2 1 356.466 3.457 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]([C@@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000546706763 503845010 /nfs/dbraw/zinc/84/50/10/503845010.db2.gz OMDJJFVWJLXPOB-IBGZPJMESA-N 2 1 369.553 3.292 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C[C@@H]3CCCOC3)cc2)C[C@H]1C ZINC000540653707 503846168 /nfs/dbraw/zinc/84/61/68/503846168.db2.gz RKLGTRJKWPLTAL-ZVDOUQERSA-N 2 1 360.542 3.212 20 0 FGADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(C)(C)C ZINC000537291417 503870084 /nfs/dbraw/zinc/87/00/84/503870084.db2.gz QEPTWFMZOXESDQ-HXUWFJFHSA-N 2 1 359.558 3.444 20 0 FGADMP Cc1cc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)ccn1 ZINC000527651374 503876649 /nfs/dbraw/zinc/87/66/49/503876649.db2.gz AQOBPDJWEAUQPE-UHFFFAOYSA-N 2 1 369.509 3.169 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccccn3)cc2)C[C@H]1C ZINC000537351171 503886590 /nfs/dbraw/zinc/88/65/90/503886590.db2.gz FFDBLZXAGSKDLT-KDURUIRLSA-N 2 1 353.510 3.381 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000543777034 503888102 /nfs/dbraw/zinc/88/81/02/503888102.db2.gz IOIIPWUXLCFYJB-LAUBAEHRSA-N 2 1 353.510 3.452 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000543777034 503888108 /nfs/dbraw/zinc/88/81/08/503888108.db2.gz IOIIPWUXLCFYJB-LAUBAEHRSA-N 2 1 353.510 3.452 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238588 503888091 /nfs/dbraw/zinc/88/80/91/503888091.db2.gz BHCRHDRXYZWWTG-INIZCTEOSA-N 2 1 361.511 3.302 20 0 FGADMP Clc1ccc(-n2ccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530238739 503888412 /nfs/dbraw/zinc/88/84/12/503888412.db2.gz BNEWXSGKAVFMML-HXUWFJFHSA-N 2 1 374.916 3.116 20 0 FGADMP Fc1ccccc1-c1cnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)o1 ZINC000530239356 503889607 /nfs/dbraw/zinc/88/96/07/503889607.db2.gz FJXYXYNHSPZNOQ-MRXNPFEDSA-N 2 1 359.445 3.071 20 0 FGADMP Fc1cccc(Br)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240429 503890045 /nfs/dbraw/zinc/89/00/45/503890045.db2.gz KWYNMUJUOBPJMF-AWEZNQCLSA-N 2 1 371.294 3.179 20 0 FGADMP C[NH+](C)CC1(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCC1 ZINC000546861018 503905570 /nfs/dbraw/zinc/90/55/70/503905570.db2.gz QOWWUNLAIMBUKA-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000518205932 503927569 /nfs/dbraw/zinc/92/75/69/503927569.db2.gz SLVJFKOTRWPCPR-IAGOWNOFSA-N 2 1 366.575 3.305 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000527915137 503998038 /nfs/dbraw/zinc/99/80/38/503998038.db2.gz MJXBAKZSOIULRT-HMXCVIKNSA-N 2 1 353.514 3.078 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000527915137 503998043 /nfs/dbraw/zinc/99/80/43/503998043.db2.gz MJXBAKZSOIULRT-HMXCVIKNSA-N 2 1 353.514 3.078 20 0 FGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000544116948 504013397 /nfs/dbraw/zinc/01/33/97/504013397.db2.gz JXVPBMYVCKPDQN-IBGZPJMESA-N 2 1 369.553 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)[C@@H](C)C1 ZINC000518597845 504023898 /nfs/dbraw/zinc/02/38/98/504023898.db2.gz RXKAGRGFTIDIAN-ZSXPUABSSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[C@@H](C)C1 ZINC000518597845 504023902 /nfs/dbraw/zinc/02/39/02/504023902.db2.gz RXKAGRGFTIDIAN-ZSXPUABSSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[C@@H](C)C1 ZINC000518597845 504023907 /nfs/dbraw/zinc/02/39/07/504023907.db2.gz RXKAGRGFTIDIAN-ZSXPUABSSA-N 2 1 372.557 3.021 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000527998815 504032749 /nfs/dbraw/zinc/03/27/49/504032749.db2.gz KAFSPRWXLHREEP-CZAYHTPWSA-N 2 1 361.489 3.050 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000527998815 504032754 /nfs/dbraw/zinc/03/27/54/504032754.db2.gz KAFSPRWXLHREEP-CZAYHTPWSA-N 2 1 361.489 3.050 20 0 FGADMP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCC1 ZINC000528017992 504041497 /nfs/dbraw/zinc/04/14/97/504041497.db2.gz ZHDYIPQSSNQWHK-WKCHPHFGSA-N 2 1 369.553 3.420 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000530783528 504086066 /nfs/dbraw/zinc/08/60/66/504086066.db2.gz WDXIWBCITOWDQE-FOIQADDNSA-N 2 1 367.497 3.120 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000530783528 504086068 /nfs/dbraw/zinc/08/60/68/504086068.db2.gz WDXIWBCITOWDQE-FOIQADDNSA-N 2 1 367.497 3.120 20 0 FGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+](CC)CC ZINC000530820748 504096573 /nfs/dbraw/zinc/09/65/73/504096573.db2.gz RJOUEXAFPUVXSA-JFIYKMOQSA-N 2 1 351.560 3.368 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977239 504100918 /nfs/dbraw/zinc/10/09/18/504100918.db2.gz ZRNKVZPDRKHZBS-HKUYNNGSSA-N 2 1 371.550 3.368 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977239 504100924 /nfs/dbraw/zinc/10/09/24/504100924.db2.gz ZRNKVZPDRKHZBS-HKUYNNGSSA-N 2 1 371.550 3.368 20 0 FGADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000544361403 504102750 /nfs/dbraw/zinc/10/27/50/504102750.db2.gz RGOCSVNAPZAZOH-HRAATJIYSA-N 2 1 374.479 3.065 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537986326 504103163 /nfs/dbraw/zinc/10/31/63/504103163.db2.gz IIVBXTOZVWXAGF-XMSQKQJNSA-N 2 1 365.521 3.437 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537986326 504103168 /nfs/dbraw/zinc/10/31/68/504103168.db2.gz IIVBXTOZVWXAGF-XMSQKQJNSA-N 2 1 365.521 3.437 20 0 FGADMP COc1cc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1F ZINC000534329266 504111888 /nfs/dbraw/zinc/11/18/88/504111888.db2.gz VTUUKIPUPBXQMM-DYESRHJHSA-N 2 1 371.500 3.474 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3c(F)cccc3Cl)CC2)CC1 ZINC000544487219 504151964 /nfs/dbraw/zinc/15/19/64/504151964.db2.gz LSCQWZLRWSZZLG-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000519223963 504168891 /nfs/dbraw/zinc/16/88/91/504168891.db2.gz CMYLUYIUBHJPMV-QGZVFWFLSA-N 2 1 361.530 3.466 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000541541838 504170933 /nfs/dbraw/zinc/17/09/33/504170933.db2.gz KSCZZVKUPJCWRH-BDTNDASRSA-N 2 1 359.558 3.085 20 0 FGADMP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](CC)CC ZINC000531056836 504173635 /nfs/dbraw/zinc/17/36/35/504173635.db2.gz BLGDXZZZDDGXJH-VTHDOGFWSA-N 2 1 357.542 3.419 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000541560936 504177616 /nfs/dbraw/zinc/17/76/16/504177616.db2.gz WNLXZYONASWCOH-RMJJICAUSA-N 2 1 359.558 3.426 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000544598823 504186681 /nfs/dbraw/zinc/18/66/81/504186681.db2.gz YDCTXIJSRPUKSJ-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000531333289 504270516 /nfs/dbraw/zinc/27/05/16/504270516.db2.gz WERRZFRFNXDCNO-FQEVSTJZSA-N 2 1 352.526 3.390 20 0 FGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654316 504290022 /nfs/dbraw/zinc/29/00/22/504290022.db2.gz REWFKCXRMZLGSU-PKOBYXMFSA-N 2 1 351.494 3.045 20 0 FGADMP C(C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629040 504309345 /nfs/dbraw/zinc/30/93/45/504309345.db2.gz WYJBWCFJODTWJP-NHCUHLMSSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535013334 504313195 /nfs/dbraw/zinc/31/31/95/504313195.db2.gz YQKQMLYIASTUEH-FXAWDEMLSA-N 2 1 365.949 3.067 20 0 FGADMP CC(C)(C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH]cn1 ZINC000548082334 504322519 /nfs/dbraw/zinc/32/25/19/504322519.db2.gz VIZAUCPLXCTZRF-INIZCTEOSA-N 2 1 360.889 3.294 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113649 504335534 /nfs/dbraw/zinc/33/55/34/504335534.db2.gz GVSAVYFFLKOGCO-FGZHOGPDSA-N 2 1 365.521 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000531552377 504343660 /nfs/dbraw/zinc/34/36/60/504343660.db2.gz NSPWYEPWCFOAFX-AUSJPIAWSA-N 2 1 367.497 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000531552377 504343664 /nfs/dbraw/zinc/34/36/64/504343664.db2.gz NSPWYEPWCFOAFX-AUSJPIAWSA-N 2 1 367.497 3.024 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000538735893 504350506 /nfs/dbraw/zinc/35/05/06/504350506.db2.gz LHANYDRVVSGSLY-LJQANCHMSA-N 2 1 362.514 3.161 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1C ZINC000538735893 504350508 /nfs/dbraw/zinc/35/05/08/504350508.db2.gz LHANYDRVVSGSLY-LJQANCHMSA-N 2 1 362.514 3.161 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1C ZINC000538735893 504350512 /nfs/dbraw/zinc/35/05/12/504350512.db2.gz LHANYDRVVSGSLY-LJQANCHMSA-N 2 1 362.514 3.161 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1C ZINC000538735893 504350516 /nfs/dbraw/zinc/35/05/16/504350516.db2.gz LHANYDRVVSGSLY-LJQANCHMSA-N 2 1 362.514 3.161 20 0 FGADMP COc1cccc(C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000531701762 504397246 /nfs/dbraw/zinc/39/72/46/504397246.db2.gz PTFZOYFCJSZIAD-UNMCSNQZSA-N 2 1 354.494 3.025 20 0 FGADMP O[C@H](C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C[NH+]1CCCC1 ZINC000531701901 504397398 /nfs/dbraw/zinc/39/73/98/504397398.db2.gz MJHUBMIILGNUPE-RTWAWAEBSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723893 504405135 /nfs/dbraw/zinc/40/51/35/504405135.db2.gz RDYYEUNVSRQPNF-GYSYKLTISA-N 2 1 364.843 3.484 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000520200334 504433853 /nfs/dbraw/zinc/43/38/53/504433853.db2.gz MKIHXSCRQHZAIJ-KDURUIRLSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000520200334 504433861 /nfs/dbraw/zinc/43/38/61/504433861.db2.gz MKIHXSCRQHZAIJ-KDURUIRLSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000520200334 504433862 /nfs/dbraw/zinc/43/38/62/504433862.db2.gz MKIHXSCRQHZAIJ-KDURUIRLSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000520215336 504437364 /nfs/dbraw/zinc/43/73/64/504437364.db2.gz DHWYLKKIIXBILM-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CC[NH+](C)CC1 ZINC000528970455 504474934 /nfs/dbraw/zinc/47/49/34/504474934.db2.gz ZMWGDDQKHZMQOA-FGZHOGPDSA-N 2 1 369.553 3.159 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000528970455 504474942 /nfs/dbraw/zinc/47/49/42/504474942.db2.gz ZMWGDDQKHZMQOA-FGZHOGPDSA-N 2 1 369.553 3.159 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC1=CC[N@@H+](C)CC1 ZINC000528970455 504474948 /nfs/dbraw/zinc/47/49/48/504474948.db2.gz ZMWGDDQKHZMQOA-FGZHOGPDSA-N 2 1 369.553 3.159 20 0 FGADMP CC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000531940005 504481514 /nfs/dbraw/zinc/48/15/14/504481514.db2.gz LITBUYRIUFECNS-VXKWHMMOSA-N 2 1 359.558 3.160 20 0 FGADMP CC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000531940006 504481778 /nfs/dbraw/zinc/48/17/78/504481778.db2.gz LITBUYRIUFECNS-YADHBBJMSA-N 2 1 359.558 3.160 20 0 FGADMP CCc1ccc(CC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000539147327 504487573 /nfs/dbraw/zinc/48/75/73/504487573.db2.gz RBWHYFYAJRCGLT-WOJBJXKFSA-N 2 1 374.569 3.382 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCCC(F)(F)F)CC2)C[C@@H](C)O1 ZINC000539146501 504488010 /nfs/dbraw/zinc/48/80/10/504488010.db2.gz FQCPREXQSXRARD-HZPDHXFCSA-N 2 1 366.468 3.309 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520403305 504491646 /nfs/dbraw/zinc/49/16/46/504491646.db2.gz TVICNOXUAIJBGH-MJGOQNOKSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520403305 504491648 /nfs/dbraw/zinc/49/16/48/504491648.db2.gz TVICNOXUAIJBGH-MJGOQNOKSA-N 2 1 367.896 3.119 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1)CC(C)C ZINC000539178050 504493635 /nfs/dbraw/zinc/49/36/35/504493635.db2.gz LSHGEVALZLUIDD-UHFFFAOYSA-N 2 1 366.594 3.262 20 0 FGADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000539199500 504496683 /nfs/dbraw/zinc/49/66/83/504496683.db2.gz GQUYGKGZSWOFBT-YLJYHZDGSA-N 2 1 361.505 3.234 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000539199500 504496685 /nfs/dbraw/zinc/49/66/85/504496685.db2.gz GQUYGKGZSWOFBT-YLJYHZDGSA-N 2 1 361.505 3.234 20 0 FGADMP Cc1cc(OCC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1C(C)C ZINC000539221950 504501895 /nfs/dbraw/zinc/50/18/95/504501895.db2.gz HAWFFHDGTPKFGY-UHFFFAOYSA-N 2 1 361.574 3.455 20 0 FGADMP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681286 504505440 /nfs/dbraw/zinc/50/54/40/504505440.db2.gz RZRHAFXNYLOZTE-IBGZPJMESA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506816 504517635 /nfs/dbraw/zinc/51/76/35/504517635.db2.gz RMUPPRIVHYVSBX-IXDOHACOSA-N 2 1 354.922 3.193 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506816 504517628 /nfs/dbraw/zinc/51/76/28/504517628.db2.gz RMUPPRIVHYVSBX-IXDOHACOSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506816 504517640 /nfs/dbraw/zinc/51/76/40/504517640.db2.gz RMUPPRIVHYVSBX-IXDOHACOSA-N 2 1 354.922 3.193 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000539294775 504522320 /nfs/dbraw/zinc/52/23/20/504522320.db2.gz GUNMWGJCFGRCHD-AZUAARDMSA-N 2 1 361.917 3.076 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000539311176 504526467 /nfs/dbraw/zinc/52/64/67/504526467.db2.gz FRGHXJILUBSTAJ-KRWDZBQOSA-N 3 1 373.520 3.213 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529092 504528035 /nfs/dbraw/zinc/52/80/35/504528035.db2.gz NATMRQRHAWBQLM-GJZGRUSLSA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529092 504528042 /nfs/dbraw/zinc/52/80/42/504528042.db2.gz NATMRQRHAWBQLM-GJZGRUSLSA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578417 504533370 /nfs/dbraw/zinc/53/33/70/504533370.db2.gz KJLVJHUWOGXTMC-QKNQBKEWSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578417 504533377 /nfs/dbraw/zinc/53/33/77/504533377.db2.gz KJLVJHUWOGXTMC-QKNQBKEWSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578417 504533381 /nfs/dbraw/zinc/53/33/81/504533381.db2.gz KJLVJHUWOGXTMC-QKNQBKEWSA-N 2 1 372.557 3.242 20 0 FGADMP C[N@@H+](CCC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000548720821 504540532 /nfs/dbraw/zinc/54/05/32/504540532.db2.gz NHHORIMSKCUAMY-UHFFFAOYSA-N 2 1 358.530 3.069 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188205 504567500 /nfs/dbraw/zinc/56/75/00/504567500.db2.gz LQMJQTQXYQGEPJ-RTBURBONSA-N 2 1 371.550 3.322 20 0 FGADMP CCC[C@@H]1CN(C(=O)NC2CC[NH+](CC)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539459150 504579339 /nfs/dbraw/zinc/57/93/39/504579339.db2.gz RJRVFMXHEGVPMH-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532235199 504583081 /nfs/dbraw/zinc/58/30/81/504583081.db2.gz PZRRPRRELDYLAB-RVKKMQEKSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532235199 504583084 /nfs/dbraw/zinc/58/30/84/504583084.db2.gz PZRRPRRELDYLAB-RVKKMQEKSA-N 2 1 351.922 3.149 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000520797687 504584461 /nfs/dbraw/zinc/58/44/61/504584461.db2.gz IXAGRNYDHYXIPW-MSOLQXFVSA-N 2 1 368.949 3.490 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854021 504597009 /nfs/dbraw/zinc/59/70/09/504597009.db2.gz TYDJUYDFHPIALB-YADHBBJMSA-N 2 1 365.521 3.379 20 0 FGADMP CN(c1ccccc1CNCC1([NH+](C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000532361842 504622749 /nfs/dbraw/zinc/62/27/49/504622749.db2.gz BOXKHROQKPJDHR-UHFFFAOYSA-N 2 1 358.574 3.181 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000542823085 504625596 /nfs/dbraw/zinc/62/55/96/504625596.db2.gz IWPKNMSSLVHNRC-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823085 504625598 /nfs/dbraw/zinc/62/55/98/504625598.db2.gz IWPKNMSSLVHNRC-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823085 504625605 /nfs/dbraw/zinc/62/56/05/504625605.db2.gz IWPKNMSSLVHNRC-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000529316987 504633575 /nfs/dbraw/zinc/63/35/75/504633575.db2.gz MQTAMPXSBHTAOO-HXUWFJFHSA-N 2 1 372.557 3.392 20 0 FGADMP C[NH+](CCc1cccs1)CC1(C[N@H+](C)CCc2cccs2)COC1 ZINC000542932650 504664037 /nfs/dbraw/zinc/66/40/37/504664037.db2.gz VACYHFRDRBDPDO-UHFFFAOYSA-N 2 1 364.580 3.475 20 0 FGADMP C[NH+](CCc1cccs1)CC1(C[N@@H+](C)CCc2cccs2)COC1 ZINC000542932650 504664041 /nfs/dbraw/zinc/66/40/41/504664041.db2.gz VACYHFRDRBDPDO-UHFFFAOYSA-N 2 1 364.580 3.475 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479464 504665119 /nfs/dbraw/zinc/66/51/19/504665119.db2.gz QDZUPBQHMFQMFN-CABCVRRESA-N 2 1 367.921 3.387 20 0 FGADMP CC[NH+](CC)CCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549171671 504710537 /nfs/dbraw/zinc/71/05/37/504710537.db2.gz FAEQUXHPNZUJGW-WMZOPIPTSA-N 2 1 355.885 3.072 20 0 FGADMP Cc1ccc(C2CC([NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000543067532 504711660 /nfs/dbraw/zinc/71/16/60/504711660.db2.gz PRIIRCBCIMOBLI-XPPIMPSXSA-N 2 1 350.506 3.468 20 0 FGADMP Cc1ccc(C2CC([NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000543067532 504711663 /nfs/dbraw/zinc/71/16/63/504711663.db2.gz PRIIRCBCIMOBLI-XPPIMPSXSA-N 2 1 350.506 3.468 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000521431699 504736181 /nfs/dbraw/zinc/73/61/81/504736181.db2.gz LFDIWNVCZYSODA-SFHVURJKSA-N 2 1 357.542 3.408 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000556124034 504800860 /nfs/dbraw/zinc/80/08/60/504800860.db2.gz WQZWFPGQXFXXOE-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[N@H+](C)CCCC1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000556124034 504800866 /nfs/dbraw/zinc/80/08/66/504800866.db2.gz WQZWFPGQXFXXOE-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000556124034 504800869 /nfs/dbraw/zinc/80/08/69/504800869.db2.gz WQZWFPGQXFXXOE-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[NH+](C)CCCC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556124034 504800874 /nfs/dbraw/zinc/80/08/74/504800874.db2.gz WQZWFPGQXFXXOE-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[NH+](C)CCCC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556124034 504800878 /nfs/dbraw/zinc/80/08/78/504800878.db2.gz WQZWFPGQXFXXOE-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000556120676 504800968 /nfs/dbraw/zinc/80/09/68/504800968.db2.gz WNNAWYQGHCDKBA-ICSRJNTNSA-N 2 1 368.477 3.407 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000556120676 504800973 /nfs/dbraw/zinc/80/09/73/504800973.db2.gz WNNAWYQGHCDKBA-ICSRJNTNSA-N 2 1 368.477 3.407 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2cncc(C[NH+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000556271404 504833547 /nfs/dbraw/zinc/83/35/47/504833547.db2.gz LDMLLTSLBFIHER-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CC[C@@H]1C[NH+](Cc2cncc(C[N@@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000556271404 504833552 /nfs/dbraw/zinc/83/35/52/504833552.db2.gz LDMLLTSLBFIHER-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CC[C@@H]1C[NH+](Cc2cncc(C[N@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000556271404 504833555 /nfs/dbraw/zinc/83/35/55/504833555.db2.gz LDMLLTSLBFIHER-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000553169930 504842872 /nfs/dbraw/zinc/84/28/72/504842872.db2.gz IPCRZVVUHGMTHP-HMXCVIKNSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000559546418 504884588 /nfs/dbraw/zinc/88/45/88/504884588.db2.gz FYEJHUWLKPWMBE-LFUKPOHLSA-N 2 1 362.477 3.221 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C3CCC4(CCCO4)CC3)CCCC2)CC1 ZINC000556510442 504893313 /nfs/dbraw/zinc/89/33/13/504893313.db2.gz WJWAALOQTUMXRZ-UHFFFAOYSA-N 2 1 350.547 3.491 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H]1c1ccccc1 ZINC000559737449 504919599 /nfs/dbraw/zinc/91/95/99/504919599.db2.gz WUCVHCJNVLNJLU-VQTJNVASSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H]1c1ccccc1 ZINC000559737449 504919602 /nfs/dbraw/zinc/91/96/02/504919602.db2.gz WUCVHCJNVLNJLU-VQTJNVASSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000559742109 504920126 /nfs/dbraw/zinc/92/01/26/504920126.db2.gz SRPSGQTZACPQPL-FYYLOGMGSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000559742109 504920132 /nfs/dbraw/zinc/92/01/32/504920132.db2.gz SRPSGQTZACPQPL-FYYLOGMGSA-N 2 1 364.537 3.471 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000549928610 504936916 /nfs/dbraw/zinc/93/69/16/504936916.db2.gz VQEXTNQUXPZQDT-HSALFYBXSA-N 2 1 350.547 3.466 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000549928610 504936920 /nfs/dbraw/zinc/93/69/20/504936920.db2.gz VQEXTNQUXPZQDT-HSALFYBXSA-N 2 1 350.547 3.466 20 0 FGADMP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913384 504949723 /nfs/dbraw/zinc/94/97/23/504949723.db2.gz KIVJKLRCLDYYHT-UPUXWEDPSA-N 2 1 355.526 3.029 20 0 FGADMP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913383 504949821 /nfs/dbraw/zinc/94/98/21/504949821.db2.gz KIVJKLRCLDYYHT-UBBNFRCJSA-N 2 1 355.526 3.029 20 0 FGADMP CO[C@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000565717048 504967292 /nfs/dbraw/zinc/96/72/92/504967292.db2.gz RFJMBHBGPSXZMS-GJZGRUSLSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000565717048 504967296 /nfs/dbraw/zinc/96/72/96/504967296.db2.gz RFJMBHBGPSXZMS-GJZGRUSLSA-N 2 1 360.420 3.303 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC1CC[NH2+]CC1)C1CCCCC1 ZINC000565764345 504981933 /nfs/dbraw/zinc/98/19/33/504981933.db2.gz GMCHUACWXSOFGH-UHFFFAOYSA-N 2 1 358.530 3.002 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCc4cccnc4CC3)CC2)oc1C ZINC000562950954 504998498 /nfs/dbraw/zinc/99/84/98/504998498.db2.gz DWBQIRYXAXMASK-FQEVSTJZSA-N 2 1 368.525 3.436 20 0 FGADMP COCC[N@@H+](C)CCCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001976 /nfs/dbraw/zinc/00/19/76/505001976.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001980 /nfs/dbraw/zinc/00/19/80/505001980.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001983 /nfs/dbraw/zinc/00/19/83/505001983.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001985 /nfs/dbraw/zinc/00/19/85/505001985.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001988 /nfs/dbraw/zinc/00/19/88/505001988.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001991 /nfs/dbraw/zinc/00/19/91/505001991.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874131 505001993 /nfs/dbraw/zinc/00/19/93/505001993.db2.gz WMRFDQJEDAQCHY-XPWALMASSA-N 3 1 373.585 3.235 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H](c4ccccc4)C3)CC2)CC1 ZINC000565842354 505003394 /nfs/dbraw/zinc/00/33/94/505003394.db2.gz DTLZOHXPWREBLU-MEMLXQNLSA-N 2 1 369.553 3.245 20 0 FGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000560245077 505027769 /nfs/dbraw/zinc/02/77/69/505027769.db2.gz GVUAAOYOJJEFCY-VQTJNVASSA-N 2 1 358.526 3.467 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121803 505053508 /nfs/dbraw/zinc/05/35/08/505053508.db2.gz GEWBOJLOAAMIFN-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121803 505053513 /nfs/dbraw/zinc/05/35/13/505053513.db2.gz GEWBOJLOAAMIFN-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000557072658 505059068 /nfs/dbraw/zinc/05/90/68/505059068.db2.gz WVKFCHPMWUEPKP-WZONZLPQSA-N 2 1 365.521 3.242 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(-n2ccnn2)c1 ZINC000554049834 505075993 /nfs/dbraw/zinc/07/59/93/505075993.db2.gz WIVGAGZPKIWFBB-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(-n2ccnn2)c1 ZINC000554049834 505075996 /nfs/dbraw/zinc/07/59/96/505075996.db2.gz WIVGAGZPKIWFBB-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP [NH3+]C[C@H](C[NH+]1CCN(c2ccc3ccccc3n2)CC1)c1ccc(F)cc1 ZINC000563214811 505077897 /nfs/dbraw/zinc/07/78/97/505077897.db2.gz AMMRTPHKEMAZOC-LJQANCHMSA-N 2 1 364.468 3.238 20 0 FGADMP C[N@H+]1CC[C@H](N[C@@H]2CC(=O)N(c3ccccc3F)C2)C[C@H]1c1ccccc1 ZINC000550823218 505109380 /nfs/dbraw/zinc/10/93/80/505109380.db2.gz JYCYAPXQJGRNON-UEXGIBASSA-N 2 1 367.468 3.356 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CCN(C(=O)C3CC3)CC2)CC1 ZINC000560515021 505110910 /nfs/dbraw/zinc/11/09/10/505110910.db2.gz VWYFFPYMHGSZRA-UHFFFAOYSA-N 2 1 369.553 3.420 20 0 FGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000560520271 505112124 /nfs/dbraw/zinc/11/21/24/505112124.db2.gz DONKDFVATSUDSH-KXBFYZLASA-N 2 1 359.514 3.017 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339140 505112898 /nfs/dbraw/zinc/11/28/98/505112898.db2.gz LHFDQNMQLTXHOM-QHCPKHFHSA-N 2 1 369.553 3.377 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339140 505112901 /nfs/dbraw/zinc/11/29/01/505112901.db2.gz LHFDQNMQLTXHOM-QHCPKHFHSA-N 2 1 369.553 3.377 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339140 505112906 /nfs/dbraw/zinc/11/29/06/505112906.db2.gz LHFDQNMQLTXHOM-QHCPKHFHSA-N 2 1 369.553 3.377 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000566230338 505118981 /nfs/dbraw/zinc/11/89/81/505118981.db2.gz FBNKKJAFEZNRBA-QGZVFWFLSA-N 2 1 358.404 3.212 20 0 FGADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000566230338 505118982 /nfs/dbraw/zinc/11/89/82/505118982.db2.gz FBNKKJAFEZNRBA-QGZVFWFLSA-N 2 1 358.404 3.212 20 0 FGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000566230597 505119921 /nfs/dbraw/zinc/11/99/21/505119921.db2.gz INAUHNALLQIITH-RJSMDTJLSA-N 2 1 369.553 3.077 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563375806 505125311 /nfs/dbraw/zinc/12/53/11/505125311.db2.gz XYGLQNLQIHKSFU-NRFANRHFSA-N 2 1 369.553 3.279 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111675 505159438 /nfs/dbraw/zinc/15/94/38/505159438.db2.gz NVZBNVNLMWHLGC-LEWJYISDSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111675 505159442 /nfs/dbraw/zinc/15/94/42/505159442.db2.gz NVZBNVNLMWHLGC-LEWJYISDSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111675 505159445 /nfs/dbraw/zinc/15/94/45/505159445.db2.gz NVZBNVNLMWHLGC-LEWJYISDSA-N 2 1 372.557 3.194 20 0 FGADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265434 505188204 /nfs/dbraw/zinc/18/82/04/505188204.db2.gz VKWODOHPQOZXKD-VQTJNVASSA-N 2 1 358.526 3.072 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643113 505191498 /nfs/dbraw/zinc/19/14/98/505191498.db2.gz DVEADCINZWGDHL-XMSQKQJNSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)CN(C(=O)CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000563658154 505203296 /nfs/dbraw/zinc/20/32/96/505203296.db2.gz UQMDPASJKRYTKP-NHCUHLMSSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1 ZINC000554597631 505217104 /nfs/dbraw/zinc/21/71/04/505217104.db2.gz OCPVNYADEVEGSK-GUDVDZBRSA-N 2 1 357.542 3.123 20 0 FGADMP CC[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000566667641 505238127 /nfs/dbraw/zinc/23/81/27/505238127.db2.gz TWAYHXUGOJWRDP-UHFFFAOYSA-N 2 1 360.546 3.250 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160560 505268021 /nfs/dbraw/zinc/26/80/21/505268021.db2.gz ITCOOBPDHPUKEB-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160560 505268026 /nfs/dbraw/zinc/26/80/26/505268026.db2.gz ITCOOBPDHPUKEB-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160560 505268028 /nfs/dbraw/zinc/26/80/28/505268028.db2.gz ITCOOBPDHPUKEB-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160560 505268033 /nfs/dbraw/zinc/26/80/33/505268033.db2.gz ITCOOBPDHPUKEB-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561222462 505285185 /nfs/dbraw/zinc/28/51/85/505285185.db2.gz MMMBZKIVZYKPTG-SFHVURJKSA-N 2 1 359.558 3.421 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@]2(c3ccccc3)CCCCC2=O)CC1 ZINC000551735469 505295267 /nfs/dbraw/zinc/29/52/67/505295267.db2.gz XTYXQAHHLLDMHY-HSZRJFAPSA-N 2 1 371.569 3.373 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008591 505301143 /nfs/dbraw/zinc/30/11/43/505301143.db2.gz LHVXGOAAGFURFM-DENIHFKCSA-N 2 1 370.541 3.158 20 0 FGADMP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282978 505304686 /nfs/dbraw/zinc/30/46/86/505304686.db2.gz LFDPLERPCYMFDW-NFBKMPQASA-N 2 1 369.553 3.376 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813593 505316430 /nfs/dbraw/zinc/31/64/30/505316430.db2.gz NFTPSWNGVJEREW-FCHUYYIVSA-N 2 1 357.542 3.360 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cnc2ccsc2c1 ZINC000558165960 505325059 /nfs/dbraw/zinc/32/50/59/505325059.db2.gz PUSCKAOIUIOYNV-AWEZNQCLSA-N 2 1 356.495 3.483 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000567006206 505336177 /nfs/dbraw/zinc/33/61/77/505336177.db2.gz FLLWQHBPFCDEJE-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000567006206 505336184 /nfs/dbraw/zinc/33/61/84/505336184.db2.gz FLLWQHBPFCDEJE-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000567006206 505336188 /nfs/dbraw/zinc/33/61/88/505336188.db2.gz FLLWQHBPFCDEJE-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP COc1c(O)cccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564312530 505380125 /nfs/dbraw/zinc/38/01/25/505380125.db2.gz NIQLRMAHLATGCI-JOCHJYFZSA-N 2 1 352.478 3.499 20 0 FGADMP CNC(=O)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000567171114 505383548 /nfs/dbraw/zinc/38/35/48/505383548.db2.gz WCPSJZGYRIFTGI-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000567171114 505383551 /nfs/dbraw/zinc/38/35/51/505383551.db2.gz WCPSJZGYRIFTGI-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000567171114 505383555 /nfs/dbraw/zinc/38/35/55/505383555.db2.gz WCPSJZGYRIFTGI-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000567171114 505383558 /nfs/dbraw/zinc/38/35/58/505383558.db2.gz WCPSJZGYRIFTGI-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000552063310 505386677 /nfs/dbraw/zinc/38/66/77/505386677.db2.gz VXKOQCNBYYBOAC-TWKWOARYSA-N 2 1 370.459 3.319 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(Cl)c1OC ZINC000567223695 505399876 /nfs/dbraw/zinc/39/98/76/505399876.db2.gz UVBSTLFQXXJXTB-XHSDSOJGSA-N 2 1 352.906 3.362 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000561654641 505401219 /nfs/dbraw/zinc/40/12/19/505401219.db2.gz AIFQGYZPFHTYIL-IBGZPJMESA-N 2 1 374.529 3.170 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1)c1ccccc1 ZINC000552249946 505440913 /nfs/dbraw/zinc/44/09/13/505440913.db2.gz QIPJQXVXWVXKEQ-BDKRGJGYSA-N 2 1 371.569 3.349 20 0 FGADMP Oc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(C(F)(F)F)c1 ZINC000564529222 505442569 /nfs/dbraw/zinc/44/25/69/505442569.db2.gz NVMCEGKUKAKSBJ-UHFFFAOYSA-N 2 1 372.431 3.488 20 0 FGADMP O=C(C[NH2+]Cc1ccccc1OC1CCCC1)NCC[NH+]1CCCCCC1 ZINC000552278761 505448322 /nfs/dbraw/zinc/44/83/22/505448322.db2.gz MOVIAQFBXVOQCS-UHFFFAOYSA-N 2 1 373.541 3.090 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000561849668 505450053 /nfs/dbraw/zinc/45/00/53/505450053.db2.gz GYADIVGUKWCEOU-AVRDEDQJSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000561849668 505450057 /nfs/dbraw/zinc/45/00/57/505450057.db2.gz GYADIVGUKWCEOU-AVRDEDQJSA-N 2 1 350.506 3.159 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000561976443 505482985 /nfs/dbraw/zinc/48/29/85/505482985.db2.gz FUKMJPSPMDWWRB-INIZCTEOSA-N 2 1 363.933 3.265 20 0 FGADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000555712741 505497441 /nfs/dbraw/zinc/49/74/41/505497441.db2.gz WTFWFRHWIZGBRV-NHCUHLMSSA-N 2 1 369.553 3.409 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562240400 505549232 /nfs/dbraw/zinc/54/92/32/505549232.db2.gz DEDNJFKWIZORMR-TZIWHRDSSA-N 2 1 374.573 3.318 20 0 FGADMP C[NH+]1CCN(CCCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000583184650 506634957 /nfs/dbraw/zinc/63/49/57/506634957.db2.gz ALYKTDWWEZQGDD-UHFFFAOYSA-N 2 1 362.518 3.066 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656138 506651978 /nfs/dbraw/zinc/65/19/78/506651978.db2.gz LDLOTPAVIKWRCN-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4scnc4C)cc3)C2)CC1 ZINC000597003866 506726491 /nfs/dbraw/zinc/72/64/91/506726491.db2.gz UBABFLYVDNDEAZ-HXUWFJFHSA-N 2 1 370.566 3.330 20 0 FGADMP CCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000597027980 506738705 /nfs/dbraw/zinc/73/87/05/506738705.db2.gz ZJHSIQZXUBOUOS-NRFANRHFSA-N 2 1 359.558 3.384 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179913 506738906 /nfs/dbraw/zinc/73/89/06/506738906.db2.gz WNRQPIUSSRDSGZ-TZIWHRDSSA-N 2 1 372.557 3.245 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193599 506745099 /nfs/dbraw/zinc/74/50/99/506745099.db2.gz BEXPVYRRFXAPDN-PZJWPPBQSA-N 2 1 372.557 3.245 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195900 506747438 /nfs/dbraw/zinc/74/74/38/506747438.db2.gz WYJMGMYGJJPOSM-SFTDATJTSA-N 2 1 372.557 3.387 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604199989 506748274 /nfs/dbraw/zinc/74/82/74/506748274.db2.gz UIGRTNHVMIMYOD-FQEVSTJZSA-N 2 1 360.546 3.245 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078536 506766711 /nfs/dbraw/zinc/76/67/11/506766711.db2.gz NFEKFTGZCGTRFR-IBGZPJMESA-N 2 1 368.525 3.170 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962686 506839939 /nfs/dbraw/zinc/83/99/39/506839939.db2.gz ISZPSSSXRDNGOZ-FXAWDEMLSA-N 2 1 370.541 3.002 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000583583940 506862321 /nfs/dbraw/zinc/86/23/21/506862321.db2.gz LSLAFUQMWRCDMH-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583940 506862328 /nfs/dbraw/zinc/86/23/28/506862328.db2.gz LSLAFUQMWRCDMH-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583940 506862336 /nfs/dbraw/zinc/86/23/36/506862336.db2.gz LSLAFUQMWRCDMH-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000594099581 506938384 /nfs/dbraw/zinc/93/83/84/506938384.db2.gz INGDZCBMYMBNNV-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000613237214 506987040 /nfs/dbraw/zinc/98/70/40/506987040.db2.gz IIWVJDFUXDIAFH-HXUWFJFHSA-N 2 1 374.525 3.375 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)CC2 ZINC000583816524 506990599 /nfs/dbraw/zinc/99/05/99/506990599.db2.gz AJPYTPFKRJGGEY-QGZVFWFLSA-N 2 1 352.482 3.029 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)CC2 ZINC000583816524 506990604 /nfs/dbraw/zinc/99/06/04/506990604.db2.gz AJPYTPFKRJGGEY-QGZVFWFLSA-N 2 1 352.482 3.029 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921540 507051854 /nfs/dbraw/zinc/05/18/54/507051854.db2.gz JGXHGTDWHFBBKQ-LAUBAEHRSA-N 2 1 372.557 3.326 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2C)CC1 ZINC000613491452 507117600 /nfs/dbraw/zinc/11/76/00/507117600.db2.gz SISYVILOUJLVHR-UHFFFAOYSA-N 2 1 359.558 3.397 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000613493078 507117839 /nfs/dbraw/zinc/11/78/39/507117839.db2.gz WGCFDEVRCBGPAT-UHFFFAOYSA-N 2 1 363.521 3.194 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000600831935 507141831 /nfs/dbraw/zinc/14/18/31/507141831.db2.gz KMFRXCDNQHYQHJ-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000600843073 507145167 /nfs/dbraw/zinc/14/51/67/507145167.db2.gz YPNJXALKHOQZRA-APWZRJJASA-N 2 1 374.554 3.171 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000605340118 507153778 /nfs/dbraw/zinc/15/37/78/507153778.db2.gz MHXDUAYNMQJGAH-MOPGFXCFSA-N 2 1 374.529 3.156 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000584130878 507168340 /nfs/dbraw/zinc/16/83/40/507168340.db2.gz VCFPKJPMOZYOBP-NRFANRHFSA-N 2 1 357.542 3.089 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1cccc(Cl)c1 ZINC000600925189 507182538 /nfs/dbraw/zinc/18/25/38/507182538.db2.gz MPCLKARXFGZJKB-KRWDZBQOSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000613662817 507205828 /nfs/dbraw/zinc/20/58/28/507205828.db2.gz HXTWERPGBXQANF-BHIYHBOVSA-N 2 1 358.530 3.092 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)N[C@@H]1CCCc2ccccc21 ZINC000584218275 507219703 /nfs/dbraw/zinc/21/97/03/507219703.db2.gz LGITWUIZQKVNKI-TZIWHRDSSA-N 2 1 365.477 3.119 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000591438016 507249733 /nfs/dbraw/zinc/24/97/33/507249733.db2.gz PEEOOHSQGLYUNB-PXNSSMCTSA-N 2 1 373.541 3.010 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000594942417 507324406 /nfs/dbraw/zinc/32/44/06/507324406.db2.gz IBUAVTMHCWFNFX-KVDGJZSYSA-N 2 1 356.510 3.074 20 0 FGADMP C[C@H](CCNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000584579040 507422244 /nfs/dbraw/zinc/42/22/44/507422244.db2.gz HSDQQYNDGKBFGE-QGZVFWFLSA-N 2 1 366.509 3.364 20 0 FGADMP C[C@@H](CCNC(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000584579039 507422976 /nfs/dbraw/zinc/42/29/76/507422976.db2.gz HSDQQYNDGKBFGE-KRWDZBQOSA-N 2 1 366.509 3.364 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614281565 507440027 /nfs/dbraw/zinc/44/00/27/507440027.db2.gz LSBLYMIZNIDWKN-HWELCPFYSA-N 2 1 369.553 3.074 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606659593 507471808 /nfs/dbraw/zinc/47/18/08/507471808.db2.gz OOTBDALOIJVJOW-IRFCIJBXSA-N 2 1 374.573 3.411 20 0 FGADMP CN(CCC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1)CC[NH+](C)C ZINC000584744071 507479984 /nfs/dbraw/zinc/47/99/84/507479984.db2.gz MRCCYMASBRXPSZ-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606937377 507561333 /nfs/dbraw/zinc/56/13/33/507561333.db2.gz YCOVNYINMFVDAG-CABCVRRESA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606937377 507561340 /nfs/dbraw/zinc/56/13/40/507561340.db2.gz YCOVNYINMFVDAG-CABCVRRESA-N 2 1 373.324 3.151 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000592377050 507626642 /nfs/dbraw/zinc/62/66/42/507626642.db2.gz RKMASBFOVXWGDQ-MOPGFXCFSA-N 2 1 373.541 3.106 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1C ZINC000592402779 507641821 /nfs/dbraw/zinc/64/18/21/507641821.db2.gz JNLXCVYQPLAMFC-MLZLACJZSA-N 2 1 358.526 3.289 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491898 507678456 /nfs/dbraw/zinc/67/84/56/507678456.db2.gz PYOHSSSBLYLILH-DLBZAZTESA-N 2 1 356.466 3.431 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358512 507701004 /nfs/dbraw/zinc/70/10/04/507701004.db2.gz XGDFHEZRCPZXRS-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358512 507701008 /nfs/dbraw/zinc/70/10/08/507701008.db2.gz XGDFHEZRCPZXRS-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358512 507701013 /nfs/dbraw/zinc/70/10/13/507701013.db2.gz XGDFHEZRCPZXRS-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000595826147 507703242 /nfs/dbraw/zinc/70/32/42/507703242.db2.gz WWGFFUFQHFZVTM-OAQYLSRUSA-N 2 1 374.573 3.414 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520482 507755995 /nfs/dbraw/zinc/75/59/95/507755995.db2.gz ORXDGHRQZMEJKR-UWJYYQICSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520482 507756001 /nfs/dbraw/zinc/75/60/01/507756001.db2.gz ORXDGHRQZMEJKR-UWJYYQICSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520482 507756007 /nfs/dbraw/zinc/75/60/07/507756007.db2.gz ORXDGHRQZMEJKR-UWJYYQICSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669117731 568032018 /nfs/dbraw/zinc/03/20/18/568032018.db2.gz AQTWNPGQESJZNX-PXNSSMCTSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000669117926 568039120 /nfs/dbraw/zinc/03/91/20/568039120.db2.gz ZMYAHALKKUMALI-QGZVFWFLSA-N 2 1 358.530 3.084 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000669146817 568153503 /nfs/dbraw/zinc/15/35/03/568153503.db2.gz BBFNGGWYWAYRLG-HXUWFJFHSA-N 2 1 368.525 3.110 20 0 FGADMP c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519338 608363383 /nfs/dbraw/zinc/36/33/83/608363383.db2.gz UVPCEXMIMOQBER-OALUTQOASA-N 2 1 374.492 3.250 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529334 609350432 /nfs/dbraw/zinc/35/04/32/609350432.db2.gz GEPGIOHGWCPFJU-OFQRWUPVSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529334 609350433 /nfs/dbraw/zinc/35/04/33/609350433.db2.gz GEPGIOHGWCPFJU-OFQRWUPVSA-N 2 1 372.492 3.309 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000124167870 700715976 /nfs/dbraw/zinc/71/59/76/700715976.db2.gz GMKWOAKLMAUBSQ-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000124167870 700715977 /nfs/dbraw/zinc/71/59/77/700715977.db2.gz GMKWOAKLMAUBSQ-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146615 704913448 /nfs/dbraw/zinc/91/34/48/704913448.db2.gz IQJKRRUHFBXQBL-OALUTQOASA-N 2 1 366.933 3.168 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000163235336 705311319 /nfs/dbraw/zinc/31/13/19/705311319.db2.gz KFWLFGHUOLPYLO-HOTGVXAUSA-N 2 1 351.922 3.169 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000163235336 705311323 /nfs/dbraw/zinc/31/13/23/705311323.db2.gz KFWLFGHUOLPYLO-HOTGVXAUSA-N 2 1 351.922 3.169 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177248926 705614800 /nfs/dbraw/zinc/61/48/00/705614800.db2.gz CTAJFBQTJFNNSL-IXDOHACOSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177248926 705614810 /nfs/dbraw/zinc/61/48/10/705614810.db2.gz CTAJFBQTJFNNSL-IXDOHACOSA-N 2 1 353.551 3.342 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180626831 705750528 /nfs/dbraw/zinc/75/05/28/705750528.db2.gz JKXWGEJQEQKZIA-SJORKVTESA-N 2 1 350.507 3.255 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183686190 705897492 /nfs/dbraw/zinc/89/74/92/705897492.db2.gz LMMAXFSRQLQVRX-MAUKXSAKSA-N 2 1 351.535 3.381 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccccc2F)CC1 ZINC000193971681 713506236 /nfs/dbraw/zinc/50/62/36/713506236.db2.gz JTGJXLMFKJCDMR-SFHVURJKSA-N 2 1 352.494 3.009 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](CCC)C1 ZINC000236787223 713583722 /nfs/dbraw/zinc/58/37/22/713583722.db2.gz GVQSYCFLQKJCTG-OAHLLOKOSA-N 2 1 365.315 3.283 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](CCC)C1 ZINC000236787223 713583724 /nfs/dbraw/zinc/58/37/24/713583724.db2.gz GVQSYCFLQKJCTG-OAHLLOKOSA-N 2 1 365.315 3.283 20 0 FGADMP COc1ccc(Br)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000237132834 713588070 /nfs/dbraw/zinc/58/80/70/713588070.db2.gz IHWJJCLUSHAJTP-GFCCVEGCSA-N 2 1 352.276 3.389 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425318 713604981 /nfs/dbraw/zinc/60/49/81/713604981.db2.gz KPHJCBUELCULDO-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425318 713604984 /nfs/dbraw/zinc/60/49/84/713604984.db2.gz KPHJCBUELCULDO-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425318 713604987 /nfs/dbraw/zinc/60/49/87/713604987.db2.gz KPHJCBUELCULDO-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cscc2Br)ccn1 ZINC000286618987 713766050 /nfs/dbraw/zinc/76/60/50/713766050.db2.gz RYNCEWQEXGMBAX-UHFFFAOYSA-N 2 1 370.316 3.136 20 0 FGADMP [NH3+]C1(CNCc2scnc2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000415139887 714006380 /nfs/dbraw/zinc/00/63/80/714006380.db2.gz XLNBQJBVXSQERX-UHFFFAOYSA-N 2 1 356.539 3.104 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000521682872 714141502 /nfs/dbraw/zinc/14/15/02/714141502.db2.gz KTALOEUSAXZOSZ-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000521682872 714141507 /nfs/dbraw/zinc/14/15/07/714141507.db2.gz KTALOEUSAXZOSZ-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000521682872 714141510 /nfs/dbraw/zinc/14/15/10/714141510.db2.gz KTALOEUSAXZOSZ-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000523750371 714251057 /nfs/dbraw/zinc/25/10/57/714251057.db2.gz LTMHQILIQMEENE-AWEZNQCLSA-N 2 1 365.568 3.451 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3sccc3Br)C2)CC1 ZINC000525686505 714367646 /nfs/dbraw/zinc/36/76/46/714367646.db2.gz YTTHNSSTPCHIMU-CQSZACIVSA-N 2 1 372.376 3.111 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3sccc3Br)C2)CC1 ZINC000525686505 714367648 /nfs/dbraw/zinc/36/76/48/714367648.db2.gz YTTHNSSTPCHIMU-CQSZACIVSA-N 2 1 372.376 3.111 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@@H](C)C1 ZINC000525858850 714384290 /nfs/dbraw/zinc/38/42/90/714384290.db2.gz RLYSRQASKILPHA-ZYSHUDEJSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@@H](C)C1 ZINC000525858850 714384293 /nfs/dbraw/zinc/38/42/93/714384293.db2.gz RLYSRQASKILPHA-ZYSHUDEJSA-N 2 1 350.478 3.376 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992401 714448959 /nfs/dbraw/zinc/44/89/59/714448959.db2.gz JFGRTNDOSXVUNS-RDJZCZTQSA-N 2 1 358.448 3.319 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1Cl ZINC000623453586 715339493 /nfs/dbraw/zinc/33/94/93/715339493.db2.gz VVCWAAHJFRUFLP-ZWKOTPCHSA-N 2 1 352.906 3.206 20 0 FGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000623657590 715380969 /nfs/dbraw/zinc/38/09/69/715380969.db2.gz VBXJWEWRLAMNHU-ZDUSSCGKSA-N 2 1 353.304 3.206 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000623657590 715380978 /nfs/dbraw/zinc/38/09/78/715380978.db2.gz VBXJWEWRLAMNHU-ZDUSSCGKSA-N 2 1 353.304 3.206 20 0 FGADMP C[C@]1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272119 716132595 /nfs/dbraw/zinc/13/25/95/716132595.db2.gz DRXXXVFWIZSJSX-LEWJYISDSA-N 2 1 359.583 3.164 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000628969639 716193915 /nfs/dbraw/zinc/19/39/15/716193915.db2.gz WDQCCQAQEBHMJX-INIZCTEOSA-N 2 1 358.313 3.197 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c2ccccc21 ZINC000629522496 716302626 /nfs/dbraw/zinc/30/26/26/716302626.db2.gz BGWJXXKHSHHNBQ-AHRSYUTCSA-N 2 1 357.885 3.280 20 0 FGADMP [NH3+]C1(C[NH2+][C@H]2CCc3c2cc(Br)cc3Cl)CCOCC1 ZINC000629522802 716303062 /nfs/dbraw/zinc/30/30/62/716303062.db2.gz BNQBACQHYITTOM-AWEZNQCLSA-N 2 1 359.695 3.187 20 0 FGADMP Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580381 716310590 /nfs/dbraw/zinc/31/05/90/716310590.db2.gz ABYNPRIABRRJIV-NVXWUHKLSA-N 2 1 365.315 3.415 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631194707 716583140 /nfs/dbraw/zinc/58/31/40/716583140.db2.gz ONBZEACSZWLPOY-SJLPKXTDSA-N 2 1 359.539 3.190 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631194707 716583141 /nfs/dbraw/zinc/58/31/41/716583141.db2.gz ONBZEACSZWLPOY-SJLPKXTDSA-N 2 1 359.539 3.190 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(OC)c1OC ZINC000631575058 716644369 /nfs/dbraw/zinc/64/43/69/716644369.db2.gz PLHSCZIHRACBLE-SFHVURJKSA-N 2 1 350.503 3.245 20 0 FGADMP FC1(F)CC[C@@H](C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000631830370 716687899 /nfs/dbraw/zinc/68/78/99/716687899.db2.gz QIVBKGKURFZUAT-CQSZACIVSA-N 2 1 352.473 3.492 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CCSCC3)CC2)CC1 ZINC000638135892 717411689 /nfs/dbraw/zinc/41/16/89/717411689.db2.gz DGIWCYMCLQFQHN-UHFFFAOYSA-N 2 1 353.620 3.258 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCSCC1 ZINC000638135892 717411693 /nfs/dbraw/zinc/41/16/93/717411693.db2.gz DGIWCYMCLQFQHN-UHFFFAOYSA-N 3 1 353.620 3.258 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCSCC1 ZINC000638135892 717411695 /nfs/dbraw/zinc/41/16/95/717411695.db2.gz DGIWCYMCLQFQHN-UHFFFAOYSA-N 3 1 353.620 3.258 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000638508981 717453352 /nfs/dbraw/zinc/45/33/52/717453352.db2.gz PUBRKCFDCCWNLM-FUHWJXTLSA-N 2 1 364.555 3.160 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000638670013 717474621 /nfs/dbraw/zinc/47/46/21/717474621.db2.gz ZEVVGJWDXKDJHF-GFCCVEGCSA-N 2 1 358.313 3.166 20 0 FGADMP Cn1c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)nnc1-c1ccc(Cl)cc1 ZINC000639758468 717598832 /nfs/dbraw/zinc/59/88/32/717598832.db2.gz UDTDEGDQWWFCFO-UHFFFAOYSA-N 2 1 359.905 3.053 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000639758507 717599096 /nfs/dbraw/zinc/59/90/96/717599096.db2.gz VROVJPXAIQDBIK-KRWDZBQOSA-N 2 1 356.432 3.027 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000640037301 717650538 /nfs/dbraw/zinc/65/05/38/717650538.db2.gz WJWIDPXOAWJBHM-QGZVFWFLSA-N 2 1 354.922 3.024 20 0 FGADMP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000644770932 718152503 /nfs/dbraw/zinc/15/25/03/718152503.db2.gz ZQKYSEOYWSQQEY-GUYCJALGSA-N 2 1 367.331 3.119 20 0 FGADMP Cc1cn2c(C[NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)c(C)nc2s1 ZINC000647248970 718342956 /nfs/dbraw/zinc/34/29/56/718342956.db2.gz URTDVDMJVYMCNU-MSOLQXFVSA-N 2 1 354.523 3.448 20 0 FGADMP Cc1cn2c(C[NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)c(C)nc2s1 ZINC000647248970 718342957 /nfs/dbraw/zinc/34/29/57/718342957.db2.gz URTDVDMJVYMCNU-MSOLQXFVSA-N 2 1 354.523 3.448 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904235 718385625 /nfs/dbraw/zinc/38/56/25/718385625.db2.gz ZNLCQCCFVNAKDZ-WBVHZDCISA-N 2 1 360.889 3.397 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976224 718391448 /nfs/dbraw/zinc/39/14/48/718391448.db2.gz LRESLCGWAJOMDU-ZIAGYGMSSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976224 718391449 /nfs/dbraw/zinc/39/14/49/718391449.db2.gz LRESLCGWAJOMDU-ZIAGYGMSSA-N 2 1 360.889 3.200 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288275 718501443 /nfs/dbraw/zinc/50/14/43/718501443.db2.gz HHCCCFOEDCFUJG-RHSMWYFYSA-N 2 1 351.441 3.244 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707483 718717613 /nfs/dbraw/zinc/71/76/13/718717613.db2.gz HAXHHTZNFKRYCA-JJRVBVJISA-N 2 1 361.511 3.023 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1CC[NH3+] ZINC000650712084 718718574 /nfs/dbraw/zinc/71/85/74/718718574.db2.gz PXFFDJPBAZMNCD-CZUORRHYSA-N 2 1 359.495 3.488 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1CC[NH3+] ZINC000650712084 718718576 /nfs/dbraw/zinc/71/85/76/718718576.db2.gz PXFFDJPBAZMNCD-CZUORRHYSA-N 2 1 359.495 3.488 20 0 FGADMP COc1c(Br)cccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717100 718719008 /nfs/dbraw/zinc/71/90/08/718719008.db2.gz RUJKWOHDVYKGNR-UHFFFAOYSA-N 2 1 353.235 3.345 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000650722649 718720847 /nfs/dbraw/zinc/72/08/47/718720847.db2.gz YRIUKKHANQJHOE-HZSPNIEDSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000650722649 718720848 /nfs/dbraw/zinc/72/08/48/718720848.db2.gz YRIUKKHANQJHOE-HZSPNIEDSA-N 2 1 359.333 3.371 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CC[C@H]43)c2c1C ZINC001164410771 718876123 /nfs/dbraw/zinc/87/61/23/718876123.db2.gz GWDVYOKTTQUQCQ-HZPDHXFCSA-N 2 1 371.554 3.235 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348158 718934712 /nfs/dbraw/zinc/93/47/12/718934712.db2.gz WCZIDYVORULGJF-SZVBFZGTSA-N 2 1 352.906 3.327 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348702 718935202 /nfs/dbraw/zinc/93/52/02/718935202.db2.gz NXCDHTVYXOISMI-IAOVAPTHSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363959 718937196 /nfs/dbraw/zinc/93/71/96/718937196.db2.gz SVBLBJTXLYXISB-DQYPLSBCSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363959 718937199 /nfs/dbraw/zinc/93/71/99/718937199.db2.gz SVBLBJTXLYXISB-DQYPLSBCSA-N 2 1 371.294 3.449 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]3[NH2+]C[C@@H]32)n1 ZINC001164450253 719000551 /nfs/dbraw/zinc/00/05/51/719000551.db2.gz SXDOZYVRVGJKSW-GJZGRUSLSA-N 2 1 359.543 3.091 20 0 FGADMP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655735494 719331780 /nfs/dbraw/zinc/33/17/80/719331780.db2.gz IKDHZFWDYWBMCA-XPGWFJOJSA-N 2 1 350.478 3.135 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655757138 719335675 /nfs/dbraw/zinc/33/56/75/719335675.db2.gz CKPHSIKHVGHJAD-GOSISDBHSA-N 2 1 367.331 3.491 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657883760 719724819 /nfs/dbraw/zinc/72/48/19/719724819.db2.gz VHYDYXNICZHGHX-QGZVFWFLSA-N 2 1 369.347 3.471 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137534 719762135 /nfs/dbraw/zinc/76/21/35/719762135.db2.gz HJKQZSIHDOJUKT-KBXCAEBGSA-N 2 1 359.539 3.431 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143675 719762563 /nfs/dbraw/zinc/76/25/63/719762563.db2.gz ZTFCLLVROFUOGQ-MSOLQXFVSA-N 2 1 357.523 3.185 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C12CCC2 ZINC000658250167 719774588 /nfs/dbraw/zinc/77/45/88/719774588.db2.gz AYYLCIRRTHLTBS-GUDVDZBRSA-N 2 1 350.547 3.346 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1cccc(Cl)c1Cl ZINC000659315838 719895921 /nfs/dbraw/zinc/89/59/21/719895921.db2.gz WDUQJSFBVNPXJR-VMGRFDJRSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1cccc(Cl)c1Cl ZINC000659315838 719895924 /nfs/dbraw/zinc/89/59/24/719895924.db2.gz WDUQJSFBVNPXJR-VMGRFDJRSA-N 2 1 370.324 3.197 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663044 720095124 /nfs/dbraw/zinc/09/51/24/720095124.db2.gz MVAXVYHADLIIKN-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663044 720095131 /nfs/dbraw/zinc/09/51/31/720095131.db2.gz MVAXVYHADLIIKN-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663044 720095139 /nfs/dbraw/zinc/09/51/39/720095139.db2.gz MVAXVYHADLIIKN-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663044 720095142 /nfs/dbraw/zinc/09/51/42/720095142.db2.gz MVAXVYHADLIIKN-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250219 720405555 /nfs/dbraw/zinc/40/55/55/720405555.db2.gz AZCSDZQXIIYZLG-HNNXBMFYSA-N 2 1 371.294 3.320 20 0 FGADMP Cc1ncsc1CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327758 720415767 /nfs/dbraw/zinc/41/57/67/720415767.db2.gz URBKKCPYILUADC-UHFFFAOYSA-N 2 1 359.543 3.064 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662486963 720434023 /nfs/dbraw/zinc/43/40/23/720434023.db2.gz ZMXNUTAVKJNTST-WBMJQRKESA-N 2 1 358.313 3.197 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512448 720436933 /nfs/dbraw/zinc/43/69/33/720436933.db2.gz JFGKMPAPKPAWIR-BBWFWOEESA-N 2 1 355.885 3.117 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512448 720436935 /nfs/dbraw/zinc/43/69/35/720436935.db2.gz JFGKMPAPKPAWIR-BBWFWOEESA-N 2 1 355.885 3.117 20 0 FGADMP C[NH2+][C@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000662546789 720440422 /nfs/dbraw/zinc/44/04/22/720440422.db2.gz ZXQWNPXSTIEUKQ-KRWDZBQOSA-N 2 1 370.324 3.245 20 0 FGADMP C[N@@H+](Cc1ccc(N([C@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1)C1CC1 ZINC001164733990 720546696 /nfs/dbraw/zinc/54/66/96/720546696.db2.gz FKXVKFYSHZPOND-LJQANCHMSA-N 2 1 372.557 3.192 20 0 FGADMP C[NH+](C)CCC[N@H+](C)CCNc1nc(C(F)F)nc2ccc(F)cc21 ZINC000664245200 720614210 /nfs/dbraw/zinc/61/42/10/720614210.db2.gz NRTQQDZUEMIWCK-UHFFFAOYSA-N 2 1 355.408 3.002 20 0 FGADMP C[NH+](C)CCC[N@@H+](C)CCNc1nc(C(F)F)nc2ccc(F)cc21 ZINC000664245200 720614213 /nfs/dbraw/zinc/61/42/13/720614213.db2.gz NRTQQDZUEMIWCK-UHFFFAOYSA-N 2 1 355.408 3.002 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000664627181 720667967 /nfs/dbraw/zinc/66/79/67/720667967.db2.gz USOBDLMDXVLSQW-IRXDYDNUSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664627181 720667971 /nfs/dbraw/zinc/66/79/71/720667971.db2.gz USOBDLMDXVLSQW-IRXDYDNUSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664627181 720667973 /nfs/dbraw/zinc/66/79/73/720667973.db2.gz USOBDLMDXVLSQW-IRXDYDNUSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[N@H+]1CC[C@H](NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)C1 ZINC000666928958 721001266 /nfs/dbraw/zinc/00/12/66/721001266.db2.gz XZAVFFXZVSHWHW-KRWDZBQOSA-N 2 1 366.575 3.086 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000677754438 721914219 /nfs/dbraw/zinc/91/42/19/721914219.db2.gz WQFGCZQVWWSVQL-ZFWWWQNUSA-N 2 1 350.557 3.152 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678599193 721966659 /nfs/dbraw/zinc/96/66/59/721966659.db2.gz XAGUHUUPAWWBMN-HSALFYBXSA-N 2 1 350.453 3.310 20 0 FGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600167 721966673 /nfs/dbraw/zinc/96/66/73/721966673.db2.gz JMUJUELSLKRDHJ-RYQLBKOJSA-N 2 1 356.432 3.073 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600347 721966775 /nfs/dbraw/zinc/96/67/75/721966775.db2.gz MAKCRCIGWQHKJQ-UAGQMJEPSA-N 2 1 356.432 3.073 20 0 FGADMP Cc1cc2c(nc[nH+]c2N2CCC3(CC[N@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001164952023 722016017 /nfs/dbraw/zinc/01/60/17/722016017.db2.gz GBNZEQZPLFLBKR-UHFFFAOYSA-N 2 1 362.481 3.154 20 0 FGADMP Cc1cc2c(nc[nH+]c2N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH]1 ZINC001164952023 722016018 /nfs/dbraw/zinc/01/60/18/722016018.db2.gz GBNZEQZPLFLBKR-UHFFFAOYSA-N 2 1 362.481 3.154 20 0 FGADMP FC(F)O[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000679680166 722040277 /nfs/dbraw/zinc/04/02/77/722040277.db2.gz XIRWAXYIEOAIAV-KBPBESRZSA-N 2 1 356.404 3.174 20 0 FGADMP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000729352127 722459054 /nfs/dbraw/zinc/45/90/54/722459054.db2.gz KKQYGDGTOPPFMX-SFHVURJKSA-N 2 1 363.571 3.342 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)C1 ZINC000738210635 722529138 /nfs/dbraw/zinc/52/91/38/722529138.db2.gz CZBRMGNGWXGILK-QGZVFWFLSA-N 2 1 356.539 3.040 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000741156950 722543160 /nfs/dbraw/zinc/54/31/60/722543160.db2.gz ATEJBQIFMRSABO-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780584 722956899 /nfs/dbraw/zinc/95/68/99/722956899.db2.gz ZSVNIHPONZJFHZ-RDJZCZTQSA-N 2 1 363.571 3.046 20 0 FGADMP CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780584 722956900 /nfs/dbraw/zinc/95/69/00/722956900.db2.gz ZSVNIHPONZJFHZ-RDJZCZTQSA-N 2 1 363.571 3.046 20 0 FGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000764467882 723416175 /nfs/dbraw/zinc/41/61/75/723416175.db2.gz YZJNXEANJMBBRI-VQIMIIECSA-N 2 1 361.530 3.397 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC(C)(C)c2ccc(Br)cc2)CC1 ZINC000764965876 723464344 /nfs/dbraw/zinc/46/43/44/723464344.db2.gz YZLDUJQHMXFNMV-UHFFFAOYSA-N 2 1 369.347 3.427 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796279695 723629842 /nfs/dbraw/zinc/62/98/42/723629842.db2.gz DLCSNYPMIKGWJD-LXPRWKDFSA-N 2 1 353.551 3.391 20 0 FGADMP C[N@@H+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796454717 723638569 /nfs/dbraw/zinc/63/85/69/723638569.db2.gz QZHHMFAAORYICJ-XNHLSEOASA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796454717 723638570 /nfs/dbraw/zinc/63/85/70/723638570.db2.gz QZHHMFAAORYICJ-XNHLSEOASA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796454717 723638571 /nfs/dbraw/zinc/63/85/71/723638571.db2.gz QZHHMFAAORYICJ-XNHLSEOASA-N 2 1 351.535 3.191 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC000796547493 723642915 /nfs/dbraw/zinc/64/29/15/723642915.db2.gz SSYALEMRECXXKV-MOPGFXCFSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC000796547493 723642917 /nfs/dbraw/zinc/64/29/17/723642917.db2.gz SSYALEMRECXXKV-MOPGFXCFSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000796547493 723642919 /nfs/dbraw/zinc/64/29/19/723642919.db2.gz SSYALEMRECXXKV-MOPGFXCFSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)CC1 ZINC000796547493 723642920 /nfs/dbraw/zinc/64/29/20/723642920.db2.gz SSYALEMRECXXKV-MOPGFXCFSA-N 2 1 351.535 3.194 20 0 FGADMP CC[C@@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000768200994 723650311 /nfs/dbraw/zinc/65/03/11/723650311.db2.gz SBPRRVLIHAJCNS-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000796737381 723652699 /nfs/dbraw/zinc/65/26/99/723652699.db2.gz AGVOYMRSRZFUBY-XLAORIBOSA-N 2 1 351.535 3.096 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000773016230 723774637 /nfs/dbraw/zinc/77/46/37/723774637.db2.gz WNAVFVKURGLZPO-WBAXXEDZSA-N 2 1 372.912 3.239 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000773016230 723774638 /nfs/dbraw/zinc/77/46/38/723774638.db2.gz WNAVFVKURGLZPO-WBAXXEDZSA-N 2 1 372.912 3.239 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000801584706 724317164 /nfs/dbraw/zinc/31/71/64/724317164.db2.gz GLYCTDIYNFFXRG-MRXNPFEDSA-N 2 1 350.507 3.207 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953215 724350047 /nfs/dbraw/zinc/35/00/47/724350047.db2.gz LEAFUYMAUGKLKN-GOSISDBHSA-N 2 1 353.551 3.441 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563620 725072922 /nfs/dbraw/zinc/07/29/22/725072922.db2.gz PZEQNCKQRCEYAO-JKSUJKDBSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563620 725072925 /nfs/dbraw/zinc/07/29/25/725072925.db2.gz PZEQNCKQRCEYAO-JKSUJKDBSA-N 2 1 351.535 3.096 20 0 FGADMP c1nc(C2OCCO2)sc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000809545288 725245976 /nfs/dbraw/zinc/24/59/76/725245976.db2.gz KRDPEWLVXMZTDZ-UHFFFAOYSA-N 2 1 365.543 3.277 20 0 FGADMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(F)cc1F ZINC000809738244 725263914 /nfs/dbraw/zinc/26/39/14/725263914.db2.gz UWTBMSOQWNCABP-UHFFFAOYSA-N 2 1 368.497 3.047 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000809757352 725265720 /nfs/dbraw/zinc/26/57/20/725265720.db2.gz ZCCSFOGRURMCFP-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165005 725294020 /nfs/dbraw/zinc/29/40/20/725294020.db2.gz JKVSFTYPRGUIND-AXVVYFOYSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810165005 725294021 /nfs/dbraw/zinc/29/40/21/725294021.db2.gz JKVSFTYPRGUIND-AXVVYFOYSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810165005 725294022 /nfs/dbraw/zinc/29/40/22/725294022.db2.gz JKVSFTYPRGUIND-AXVVYFOYSA-N 2 1 353.526 3.063 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507342 725370737 /nfs/dbraw/zinc/37/07/37/725370737.db2.gz YXPLNYLXCQPSAX-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507342 725370738 /nfs/dbraw/zinc/37/07/38/725370738.db2.gz YXPLNYLXCQPSAX-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1SC(C)(C)C ZINC000815574855 727084776 /nfs/dbraw/zinc/08/47/76/727084776.db2.gz FBCPFTJOTNWOFU-INIZCTEOSA-N 2 1 363.571 3.392 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc(Cl)cc1 ZINC000871784999 735545834 /nfs/dbraw/zinc/54/58/34/735545834.db2.gz DIPNPTWJJAIJJJ-KPGMEVQCSA-N 2 1 364.877 3.038 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc(Cl)cc1 ZINC000871784999 735545836 /nfs/dbraw/zinc/54/58/36/735545836.db2.gz DIPNPTWJJAIJJJ-KPGMEVQCSA-N 2 1 364.877 3.038 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823394989 729275451 /nfs/dbraw/zinc/27/54/51/729275451.db2.gz ICCVIHDCTCGUIF-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823394989 729275457 /nfs/dbraw/zinc/27/54/57/729275457.db2.gz ICCVIHDCTCGUIF-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[N@H+](CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC000823723991 729301251 /nfs/dbraw/zinc/30/12/51/729301251.db2.gz SWPSAGUBFMMZER-JXFKEZNVSA-N 2 1 351.535 3.098 20 0 FGADMP C[N@@H+](CC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC000823723991 729301254 /nfs/dbraw/zinc/30/12/54/729301254.db2.gz SWPSAGUBFMMZER-JXFKEZNVSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@H]1C[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC000824989097 729366920 /nfs/dbraw/zinc/36/69/20/729366920.db2.gz ZSTZUAWREDYKLR-VQTPCSAVSA-N 2 1 351.535 3.237 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000827260202 729427722 /nfs/dbraw/zinc/42/77/22/729427722.db2.gz LBVWTMXQCAYVRJ-INIZCTEOSA-N 2 1 351.535 3.288 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000827260202 729427723 /nfs/dbraw/zinc/42/77/23/729427723.db2.gz LBVWTMXQCAYVRJ-INIZCTEOSA-N 2 1 351.535 3.288 20 0 FGADMP Cc1nn(-c2ccccc2)c(Cl)c1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000843056380 730574580 /nfs/dbraw/zinc/57/45/80/730574580.db2.gz IFKFXOOPXQLUTI-UHFFFAOYSA-N 2 1 362.905 3.164 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128894 730589265 /nfs/dbraw/zinc/58/92/65/730589265.db2.gz YOSXAXPFCDUIMQ-LSDHHAIUSA-N 2 1 361.921 3.142 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128891 730589424 /nfs/dbraw/zinc/58/94/24/730589424.db2.gz YOSXAXPFCDUIMQ-CABCVRRESA-N 2 1 361.921 3.142 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388446 730612507 /nfs/dbraw/zinc/61/25/07/730612507.db2.gz NUQFUMDWGKLYCL-ZIAGYGMSSA-N 2 1 369.481 3.261 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845934735 730910569 /nfs/dbraw/zinc/91/05/69/730910569.db2.gz DJTNNDMSDKXMGF-LXPRWKDFSA-N 2 1 353.551 3.390 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903860 730993666 /nfs/dbraw/zinc/99/36/66/730993666.db2.gz ZSPRUUOEIAGFFI-GNZRSQJKSA-N 2 1 351.535 3.240 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903860 730993669 /nfs/dbraw/zinc/99/36/69/730993669.db2.gz ZSPRUUOEIAGFFI-GNZRSQJKSA-N 2 1 351.535 3.240 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903860 730993670 /nfs/dbraw/zinc/99/36/70/730993670.db2.gz ZSPRUUOEIAGFFI-GNZRSQJKSA-N 2 1 351.535 3.240 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(CC)(CC)SC)CC2)CC1 ZINC000847534316 731062146 /nfs/dbraw/zinc/06/21/46/731062146.db2.gz OCIKQHWYIOGONX-UHFFFAOYSA-N 2 1 369.619 3.221 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000848534210 731177055 /nfs/dbraw/zinc/17/70/55/731177055.db2.gz PTLIBJSIEQLXRG-PBHICJAKSA-N 2 1 373.324 3.260 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1Cl ZINC000849064860 731225317 /nfs/dbraw/zinc/22/53/17/731225317.db2.gz FRTFWAJPFVWVSR-CQSZACIVSA-N 2 1 373.328 3.361 20 0 FGADMP C[C@H](NC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074204 731226134 /nfs/dbraw/zinc/22/61/34/731226134.db2.gz GIPOAACIHYYRKW-UBHSHLNASA-N 2 1 371.312 3.032 20 0 FGADMP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000849091045 731228061 /nfs/dbraw/zinc/22/80/61/731228061.db2.gz DTIFGYUBYMSLCT-KBPBESRZSA-N 2 1 356.436 3.440 20 0 FGADMP Cn1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cnc1Cl ZINC000850402643 731353073 /nfs/dbraw/zinc/35/30/73/731353073.db2.gz QXCXPARVTMATBG-QGZVFWFLSA-N 2 1 358.917 3.465 20 0 FGADMP Cn1c(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cnc1Cl ZINC000850402643 731353075 /nfs/dbraw/zinc/35/30/75/731353075.db2.gz QXCXPARVTMATBG-QGZVFWFLSA-N 2 1 358.917 3.465 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000850538676 731370900 /nfs/dbraw/zinc/37/09/00/731370900.db2.gz JWMIHOCYGABHHG-OAGGEKHMSA-N 2 1 358.473 3.350 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000850538676 731370902 /nfs/dbraw/zinc/37/09/02/731370902.db2.gz JWMIHOCYGABHHG-OAGGEKHMSA-N 2 1 358.473 3.350 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084551 731662108 /nfs/dbraw/zinc/66/21/08/731662108.db2.gz QWXWFSAGZUIWDP-MSOLQXFVSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239512 731686302 /nfs/dbraw/zinc/68/63/02/731686302.db2.gz GYOUEAAGZMEELL-GOEBONIOSA-N 2 1 364.921 3.164 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604714 732040944 /nfs/dbraw/zinc/04/09/44/732040944.db2.gz PZYLKWPWHOSYEN-SFHVURJKSA-N 2 1 353.457 3.420 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604714 732040945 /nfs/dbraw/zinc/04/09/45/732040945.db2.gz PZYLKWPWHOSYEN-SFHVURJKSA-N 2 1 353.457 3.420 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604714 732040950 /nfs/dbraw/zinc/04/09/50/732040950.db2.gz PZYLKWPWHOSYEN-SFHVURJKSA-N 2 1 353.457 3.420 20 0 FGADMP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(Br)n1 ZINC000858090472 732179243 /nfs/dbraw/zinc/17/92/43/732179243.db2.gz PWFUAGUENHBYGF-UHFFFAOYSA-N 2 1 363.303 3.068 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490991 732220300 /nfs/dbraw/zinc/22/03/00/732220300.db2.gz UTUVXMJTPJYWRN-KGLIPLIRSA-N 2 1 360.470 3.065 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490991 732220301 /nfs/dbraw/zinc/22/03/01/732220301.db2.gz UTUVXMJTPJYWRN-KGLIPLIRSA-N 2 1 360.470 3.065 20 0 FGADMP C[N@@H+](CCCC[NH2+]C[C@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000862388972 732822208 /nfs/dbraw/zinc/82/22/08/732822208.db2.gz MZQGXRVIVJLIAG-OAHLLOKOSA-N 2 1 361.477 3.095 20 0 FGADMP NC(CCC(F)(F)F)=[NH+]OC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000863491255 732970582 /nfs/dbraw/zinc/97/05/82/732970582.db2.gz XWTZQLPHCLYFMD-OAHLLOKOSA-N 2 1 359.392 3.118 20 0 FGADMP NC(CCC(F)(F)F)=[NH+]OC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000863491255 732970583 /nfs/dbraw/zinc/97/05/83/732970583.db2.gz XWTZQLPHCLYFMD-OAHLLOKOSA-N 2 1 359.392 3.118 20 0 FGADMP CC(=O)N(c1nc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cs1)C1CC1 ZINC000865717270 733258569 /nfs/dbraw/zinc/25/85/69/733258569.db2.gz VKUPETMCYWMPAM-UHFFFAOYSA-N 2 1 364.559 3.259 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261988 733330241 /nfs/dbraw/zinc/33/02/41/733330241.db2.gz CUOYZMBRLATSSJ-ZIAGYGMSSA-N 2 1 351.878 3.369 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261983 733330397 /nfs/dbraw/zinc/33/03/97/733330397.db2.gz CUOYZMBRLATSSJ-KBPBESRZSA-N 2 1 351.878 3.369 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128897 735593463 /nfs/dbraw/zinc/59/34/63/735593463.db2.gz NIOJONYLTAOMGQ-NXOAAHMSSA-N 2 1 351.535 3.237 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872147796 735595127 /nfs/dbraw/zinc/59/51/27/735595127.db2.gz DKUFIGWDJMHYGB-GWCFXTLKSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872147796 735595128 /nfs/dbraw/zinc/59/51/28/735595128.db2.gz DKUFIGWDJMHYGB-GWCFXTLKSA-N 2 1 356.310 3.153 20 0 FGADMP CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158881 735597630 /nfs/dbraw/zinc/59/76/30/735597630.db2.gz YTVJSUCJYOMGKG-WMLDXEAASA-N 2 1 350.532 3.221 20 0 FGADMP CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158881 735597633 /nfs/dbraw/zinc/59/76/33/735597633.db2.gz YTVJSUCJYOMGKG-WMLDXEAASA-N 2 1 350.532 3.221 20 0 FGADMP COCCC1([NH2+]Cc2cc(Br)c(Cl)s2)CC[NH2+]CC1 ZINC000873225744 735740265 /nfs/dbraw/zinc/74/02/65/735740265.db2.gz ZVNTUOJFOXGWFG-UHFFFAOYSA-N 2 1 367.740 3.412 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000876029285 736050183 /nfs/dbraw/zinc/05/01/83/736050183.db2.gz BZZBULRDEVTYGK-IEBWSBKVSA-N 2 1 352.567 3.011 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Br ZINC000876690646 736132004 /nfs/dbraw/zinc/13/20/04/736132004.db2.gz OQEQHYGQJXKGSA-UHFFFAOYSA-N 2 1 369.303 3.009 20 0 FGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000877149609 736193156 /nfs/dbraw/zinc/19/31/56/736193156.db2.gz DPZBPQWRHJUHQC-MZNJEOGPSA-N 2 1 360.479 3.334 20 0 FGADMP C([C@@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878048584 736763142 /nfs/dbraw/zinc/76/31/42/736763142.db2.gz COKASMNBERZUFO-PMACEKPBSA-N 2 1 350.547 3.160 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582511 737010651 /nfs/dbraw/zinc/01/06/51/737010651.db2.gz SEHYKCSAFYKIID-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582511 737010655 /nfs/dbraw/zinc/01/06/55/737010655.db2.gz SEHYKCSAFYKIID-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582511 737010659 /nfs/dbraw/zinc/01/06/59/737010659.db2.gz SEHYKCSAFYKIID-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc4ccc(Cl)cc4n3)CC2)CC1 ZINC000879594553 737012006 /nfs/dbraw/zinc/01/20/06/737012006.db2.gz MJWDQTQYTMIOAF-UHFFFAOYSA-N 2 1 358.917 3.100 20 0 FGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000880254834 737142845 /nfs/dbraw/zinc/14/28/45/737142845.db2.gz PIWGXJZDIGCKFY-IBGZPJMESA-N 2 1 350.547 3.303 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000880472998 737178354 /nfs/dbraw/zinc/17/83/54/737178354.db2.gz LGAJPVBKNMACJV-UHFFFAOYSA-N 2 1 360.889 3.493 20 0 FGADMP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000883279927 737545707 /nfs/dbraw/zinc/54/57/07/737545707.db2.gz LDKPUUCITLOQFB-DLBZAZTESA-N 2 1 351.535 3.383 20 0 FGADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H](O)C(F)(F)F ZINC000886558493 739267218 /nfs/dbraw/zinc/26/72/18/739267218.db2.gz LSLXKAPROGDECX-KFGODFMUSA-N 2 1 356.432 3.331 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000891877097 739947163 /nfs/dbraw/zinc/94/71/63/739947163.db2.gz UYXAILAGTOUOJV-HXUWFJFHSA-N 2 1 353.551 3.486 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1C(F)(F)F ZINC000892606869 740022719 /nfs/dbraw/zinc/02/27/19/740022719.db2.gz FTWJKJWMZKLGKC-UYJHQMFVSA-N 2 1 362.436 3.113 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)C1 ZINC000892668047 740029279 /nfs/dbraw/zinc/02/92/79/740029279.db2.gz HFTBRSACZNTBAL-FPCVCCKLSA-N 2 1 364.452 3.218 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845268 742462162 /nfs/dbraw/zinc/46/21/62/742462162.db2.gz URYLMNHTCJDUNH-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845268 742462165 /nfs/dbraw/zinc/46/21/65/742462165.db2.gz URYLMNHTCJDUNH-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845268 742462168 /nfs/dbraw/zinc/46/21/68/742462168.db2.gz URYLMNHTCJDUNH-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900435550 743112435 /nfs/dbraw/zinc/11/24/35/743112435.db2.gz PKNBIYCNCFPYPY-PKOBYXMFSA-N 2 1 361.555 3.093 20 0 FGADMP Cc1nn(-c2ccccc2)c(Cl)c1-c1cc(C[N@H+](C)CCC[NH3+])on1 ZINC000901392085 743267122 /nfs/dbraw/zinc/26/71/22/743267122.db2.gz GYKZFCLIZMYWNK-UHFFFAOYSA-N 2 1 359.861 3.270 20 0 FGADMP Cc1nn(-c2ccccc2)c(Cl)c1-c1cc(C[N@@H+](C)CCC[NH3+])on1 ZINC000901392085 743267128 /nfs/dbraw/zinc/26/71/28/743267128.db2.gz GYKZFCLIZMYWNK-UHFFFAOYSA-N 2 1 359.861 3.270 20 0 FGADMP FC(F)(F)c1ccc(CCC[N@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903817670 743886162 /nfs/dbraw/zinc/88/61/62/743886162.db2.gz CVTXOTDOKFVIAZ-UHFFFAOYSA-N 2 1 356.432 3.483 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCOc1ccc(Br)cc1)C2 ZINC000903840964 743887614 /nfs/dbraw/zinc/88/76/14/743887614.db2.gz VGQULRPRQCLXQX-IMJJTQAJSA-N 2 1 353.304 3.420 20 0 FGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897753 743893953 /nfs/dbraw/zinc/89/39/53/743893953.db2.gz JKOOSYAKHUZIDN-HZPDHXFCSA-N 2 1 363.575 3.427 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388533 758910276 /nfs/dbraw/zinc/91/02/76/758910276.db2.gz QUNZSDBPCSPEPW-YKTARERQSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@@H]1C(C)C ZINC000922391870 758912589 /nfs/dbraw/zinc/91/25/89/758912589.db2.gz BOMASFBTLDUQTG-LTDCPUDJSA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@@H]1C(C)C ZINC000922393589 758912638 /nfs/dbraw/zinc/91/26/38/758912638.db2.gz MCDQQGLWNYCZES-AKHDSKFASA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@@H]1C(C)C ZINC000922396990 758914780 /nfs/dbraw/zinc/91/47/80/758914780.db2.gz ZXTAHDBKWYEDCP-IZBJGVDFSA-N 2 1 359.539 3.256 20 0 FGADMP O[C@@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923291720 759095869 /nfs/dbraw/zinc/09/58/69/759095869.db2.gz FQHTYAMCFARRPS-KRWDZBQOSA-N 2 1 356.432 3.073 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372907 759106825 /nfs/dbraw/zinc/10/68/25/759106825.db2.gz KIFUAURFWWSCJB-GDBMZVCRSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923482389 759129212 /nfs/dbraw/zinc/12/92/12/759129212.db2.gz FCKPBXCOIOQNMU-GFCCVEGCSA-N 2 1 350.260 3.275 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501934 759133662 /nfs/dbraw/zinc/13/36/62/759133662.db2.gz XGUQEUOWDMVDER-OAGGEKHMSA-N 2 1 364.559 3.114 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nc(Br)ccc1F ZINC000924950335 759422324 /nfs/dbraw/zinc/42/23/24/759422324.db2.gz JKBODLOLALBOLC-WDEREUQCSA-N 2 1 355.255 3.475 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Br)c1 ZINC000925777466 759535769 /nfs/dbraw/zinc/53/57/69/759535769.db2.gz DXAVESJUHQZVIU-KOLCDFICSA-N 2 1 351.210 3.484 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cnn1-c1ccc(F)cc1 ZINC000925781968 759536201 /nfs/dbraw/zinc/53/62/01/759536201.db2.gz JPWNYVAUOAZHMC-JSGCOSHPSA-N 2 1 352.404 3.215 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H](C)c3cc(O)cc(F)c3)C2)[C@@H]1C(C)C ZINC000926878166 759835949 /nfs/dbraw/zinc/83/59/49/759835949.db2.gz FFOMVZLJCLSJQS-CLZYOGPISA-N 2 1 350.478 3.052 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000929694547 760435961 /nfs/dbraw/zinc/43/59/61/760435961.db2.gz BRFYLNCZHFXFOQ-OKZBNKHCSA-N 2 1 351.535 3.098 20 0 FGADMP Cc1nnsc1[C@@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000929805989 760460222 /nfs/dbraw/zinc/46/02/22/760460222.db2.gz NKGNTAMZSHWXQF-MRXNPFEDSA-N 2 1 365.591 3.036 20 0 FGADMP COC/C(C)=C/C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000930445988 760612103 /nfs/dbraw/zinc/61/21/03/760612103.db2.gz KVNNOKNNOYZVTN-LHHJGKSTSA-N 2 1 368.275 3.334 20 0 FGADMP COC/C(C)=C/C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000930445988 760612107 /nfs/dbraw/zinc/61/21/07/760612107.db2.gz KVNNOKNNOYZVTN-LHHJGKSTSA-N 2 1 368.275 3.334 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545143 760889757 /nfs/dbraw/zinc/88/97/57/760889757.db2.gz AGTYSUCJCMRBPS-NBOOPKSLSA-N 2 1 354.416 3.195 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545143 760889770 /nfs/dbraw/zinc/88/97/70/760889770.db2.gz AGTYSUCJCMRBPS-NBOOPKSLSA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545143 760889785 /nfs/dbraw/zinc/88/97/85/760889785.db2.gz AGTYSUCJCMRBPS-NBOOPKSLSA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545143 760889800 /nfs/dbraw/zinc/88/98/00/760889800.db2.gz AGTYSUCJCMRBPS-NBOOPKSLSA-N 2 1 354.416 3.195 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000960642569 762736909 /nfs/dbraw/zinc/73/69/09/762736909.db2.gz QZJQIWXDQNVAJA-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000960642569 762736912 /nfs/dbraw/zinc/73/69/12/762736912.db2.gz QZJQIWXDQNVAJA-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000960642569 762736914 /nfs/dbraw/zinc/73/69/14/762736914.db2.gz QZJQIWXDQNVAJA-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000971567617 762913895 /nfs/dbraw/zinc/91/38/95/762913895.db2.gz SBEJSEWSWFBYJV-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC000971567617 762913899 /nfs/dbraw/zinc/91/38/99/762913899.db2.gz SBEJSEWSWFBYJV-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC000971567617 762913903 /nfs/dbraw/zinc/91/39/03/762913903.db2.gz SBEJSEWSWFBYJV-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3Cl)CC2(C)C)CC[N@@H+]1C ZINC000974608296 763037000 /nfs/dbraw/zinc/03/70/00/763037000.db2.gz YNOCLJBGTCDGEF-QGPMSJSTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3Cl)CC2(C)C)CC[N@H+]1C ZINC000974608296 763037009 /nfs/dbraw/zinc/03/70/09/763037009.db2.gz YNOCLJBGTCDGEF-QGPMSJSTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974608296 763037020 /nfs/dbraw/zinc/03/70/20/763037020.db2.gz YNOCLJBGTCDGEF-QGPMSJSTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974608296 763037028 /nfs/dbraw/zinc/03/70/28/763037028.db2.gz YNOCLJBGTCDGEF-QGPMSJSTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC000983705690 763659444 /nfs/dbraw/zinc/65/94/44/763659444.db2.gz ZIVJYRWWSQKXAV-ULQWZQFMSA-N 2 1 363.933 3.226 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3sccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995827315 764970562 /nfs/dbraw/zinc/97/05/62/764970562.db2.gz UUBROJWDSOFDKW-XJKCOSOUSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ccccc1Cl ZINC000996603573 765019423 /nfs/dbraw/zinc/01/94/23/765019423.db2.gz PIZZZRLTJZJFRQ-HDMKZQKVSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC000997786493 765082797 /nfs/dbraw/zinc/08/27/97/765082797.db2.gz RFIVMYWYFTVNKD-UKRRQHHQSA-N 2 1 369.962 3.070 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002851542 765348113 /nfs/dbraw/zinc/34/81/13/765348113.db2.gz KABLMRRDFYIWRS-DNVCBOLYSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001002859222 765348837 /nfs/dbraw/zinc/34/88/37/765348837.db2.gz LFVKNAMBKPVPFJ-RBUKOAKNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC001020172283 765867141 /nfs/dbraw/zinc/86/71/41/765867141.db2.gz VQDSRSDLDAPGBB-RAEVTNRLSA-N 2 1 370.324 3.070 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001033833789 766223050 /nfs/dbraw/zinc/22/30/50/766223050.db2.gz LOKDKGOHTIPVOR-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001033833789 766223055 /nfs/dbraw/zinc/22/30/55/766223055.db2.gz LOKDKGOHTIPVOR-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001033833789 766223057 /nfs/dbraw/zinc/22/30/57/766223057.db2.gz LOKDKGOHTIPVOR-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001033833651 766223339 /nfs/dbraw/zinc/22/33/39/766223339.db2.gz JWFRKEYHWWBZHE-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001033833651 766223344 /nfs/dbraw/zinc/22/33/44/766223344.db2.gz JWFRKEYHWWBZHE-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC001033833651 766223348 /nfs/dbraw/zinc/22/33/48/766223348.db2.gz JWFRKEYHWWBZHE-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC001033833651 766223354 /nfs/dbraw/zinc/22/33/54/766223354.db2.gz JWFRKEYHWWBZHE-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001045938717 766576782 /nfs/dbraw/zinc/57/67/82/766576782.db2.gz JQTFVIDJORBHCA-WLGXFBBCSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](C/C=C/Cl)C3)C2)CC[NH+]1C ZINC001045938717 766576788 /nfs/dbraw/zinc/57/67/88/766576788.db2.gz JQTFVIDJORBHCA-WLGXFBBCSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](C/C=C/Cl)C3)C2)CC[NH+]1C ZINC001045938717 766576792 /nfs/dbraw/zinc/57/67/92/766576792.db2.gz JQTFVIDJORBHCA-WLGXFBBCSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3Cc2ccsc2)CC[N@H+]1C ZINC001049483488 766786715 /nfs/dbraw/zinc/78/67/15/766786715.db2.gz XRYXAXXHBGXZRD-MANSERQUSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483488 766786721 /nfs/dbraw/zinc/78/67/21/766786721.db2.gz XRYXAXXHBGXZRD-MANSERQUSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483488 766786723 /nfs/dbraw/zinc/78/67/23/766786723.db2.gz XRYXAXXHBGXZRD-MANSERQUSA-N 2 1 361.555 3.044 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001052393569 766900293 /nfs/dbraw/zinc/90/02/93/766900293.db2.gz OQCWAFAFHMILBU-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC001052393569 766900298 /nfs/dbraw/zinc/90/02/98/766900298.db2.gz OQCWAFAFHMILBU-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC001052393569 766900302 /nfs/dbraw/zinc/90/03/02/766900302.db2.gz OQCWAFAFHMILBU-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000576714720 505577172 /nfs/dbraw/zinc/57/71/72/505577172.db2.gz GPWZJVCGKFROBW-OAQYLSRUSA-N 2 1 365.521 3.043 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000567982803 505589843 /nfs/dbraw/zinc/58/98/43/505589843.db2.gz RRNCUDJBCDSJLO-ZVDOUQERSA-N 2 1 373.516 3.028 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000568045789 505603156 /nfs/dbraw/zinc/60/31/56/505603156.db2.gz JEQHVVPYDVNDLI-IEBWSBKVSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045789 505603157 /nfs/dbraw/zinc/60/31/57/505603157.db2.gz JEQHVVPYDVNDLI-IEBWSBKVSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045789 505603158 /nfs/dbraw/zinc/60/31/58/505603158.db2.gz JEQHVVPYDVNDLI-IEBWSBKVSA-N 2 1 363.571 3.211 20 0 FGADMP CN(c1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049428 505603693 /nfs/dbraw/zinc/60/36/93/505603693.db2.gz AQPBHSXZQSOGDN-QHCPKHFHSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CC[NH+](C)CC1 ZINC000568049428 505603695 /nfs/dbraw/zinc/60/36/95/505603695.db2.gz AQPBHSXZQSOGDN-QHCPKHFHSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)C1CC[NH+](C)CC1 ZINC000568049428 505603698 /nfs/dbraw/zinc/60/36/98/505603698.db2.gz AQPBHSXZQSOGDN-QHCPKHFHSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049428 505603701 /nfs/dbraw/zinc/60/37/01/505603701.db2.gz AQPBHSXZQSOGDN-QHCPKHFHSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049428 505603703 /nfs/dbraw/zinc/60/37/03/505603703.db2.gz AQPBHSXZQSOGDN-QHCPKHFHSA-N 3 1 370.585 3.135 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568277465 505657730 /nfs/dbraw/zinc/65/77/30/505657730.db2.gz XARGQYMKABRMMN-NMIHRBCNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568277465 505657731 /nfs/dbraw/zinc/65/77/31/505657731.db2.gz XARGQYMKABRMMN-NMIHRBCNSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035806 505666850 /nfs/dbraw/zinc/66/68/50/505666850.db2.gz MSAMOSRZQBIFAG-OXQOHEQNSA-N 2 1 351.485 3.169 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000075768752 493777093 /nfs/dbraw/zinc/77/70/93/493777093.db2.gz TXYRFDHEZQQASB-UGKGYDQZSA-N 2 1 369.553 3.340 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382267 505680686 /nfs/dbraw/zinc/68/06/86/505680686.db2.gz VNNWPGASPNRLPN-RDJZCZTQSA-N 2 1 374.447 3.013 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000057847568 493808588 /nfs/dbraw/zinc/80/85/88/493808588.db2.gz DJHXDKROMVZIDN-AWEZNQCLSA-N 2 1 352.548 3.141 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068442169 493821519 /nfs/dbraw/zinc/82/15/19/493821519.db2.gz ZYTJNHNAXJITLU-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000568387002 505682656 /nfs/dbraw/zinc/68/26/56/505682656.db2.gz JTMLYGGFTLZOPF-UWVAXJGDSA-N 2 1 359.514 3.253 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000081130375 493837868 /nfs/dbraw/zinc/83/78/68/493837868.db2.gz YHYDXJPHYWPXLJ-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000081130375 493837873 /nfs/dbraw/zinc/83/78/73/493837873.db2.gz YHYDXJPHYWPXLJ-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cccc3c2OCO3)C[C@H](C)O1 ZINC000048816816 493847400 /nfs/dbraw/zinc/84/74/00/493847400.db2.gz UVVWFWBRXGMNCW-CALCHBBNSA-N 2 1 368.477 3.314 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](CC)C3CC3)cc2)C1 ZINC000081363740 493879614 /nfs/dbraw/zinc/87/96/14/493879614.db2.gz FTFUMLCWZKJTEW-LJQANCHMSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000081363740 493879616 /nfs/dbraw/zinc/87/96/16/493879616.db2.gz FTFUMLCWZKJTEW-LJQANCHMSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000081363740 493879618 /nfs/dbraw/zinc/87/96/18/493879618.db2.gz FTFUMLCWZKJTEW-LJQANCHMSA-N 2 1 357.542 3.475 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000580154734 505690069 /nfs/dbraw/zinc/69/00/69/505690069.db2.gz JADNISGZXRNRBV-SCAQPMJSSA-N 2 1 351.560 3.463 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000061522180 493981853 /nfs/dbraw/zinc/98/18/53/493981853.db2.gz SAMRWYPAJUXSTI-RBUKOAKNSA-N 2 1 372.557 3.345 20 0 FGADMP COc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCc1c(C)noc1C ZINC000052120138 494005602 /nfs/dbraw/zinc/00/56/02/494005602.db2.gz VBOZHANUMHPERK-UHFFFAOYSA-N 2 1 370.453 3.174 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000062505761 494015329 /nfs/dbraw/zinc/01/53/29/494015329.db2.gz IXBWIBJVPNOFII-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)c1 ZINC000064229453 494107460 /nfs/dbraw/zinc/10/74/60/494107460.db2.gz WGPYWFJLLRLJGT-UHFFFAOYSA-N 2 1 374.573 3.400 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000064229453 494107464 /nfs/dbraw/zinc/10/74/64/494107464.db2.gz WGPYWFJLLRLJGT-UHFFFAOYSA-N 2 1 374.573 3.400 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000064229453 494107466 /nfs/dbraw/zinc/10/74/66/494107466.db2.gz WGPYWFJLLRLJGT-UHFFFAOYSA-N 2 1 374.573 3.400 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000077644952 494131342 /nfs/dbraw/zinc/13/13/42/494131342.db2.gz LSOLXSRXCXSETJ-IBGZPJMESA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000077644952 494131346 /nfs/dbraw/zinc/13/13/46/494131346.db2.gz LSOLXSRXCXSETJ-IBGZPJMESA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000077644952 494131350 /nfs/dbraw/zinc/13/13/50/494131350.db2.gz LSOLXSRXCXSETJ-IBGZPJMESA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000571300792 505702084 /nfs/dbraw/zinc/70/20/84/505702084.db2.gz SWTSIFYDGIYZRY-XMSQKQJNSA-N 2 1 372.557 3.107 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064672882 494142186 /nfs/dbraw/zinc/14/21/86/494142186.db2.gz HQRKUPXXNKQLAL-YLJYHZDGSA-N 2 1 371.550 3.379 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000064672882 494142189 /nfs/dbraw/zinc/14/21/89/494142189.db2.gz HQRKUPXXNKQLAL-YLJYHZDGSA-N 2 1 371.550 3.379 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000574154195 505707189 /nfs/dbraw/zinc/70/71/89/505707189.db2.gz WECVROHPIBQOTP-QFIPXVFZSA-N 2 1 365.521 3.365 20 0 FGADMP Ic1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000088183183 494211548 /nfs/dbraw/zinc/21/15/48/494211548.db2.gz CHEWWDRZVWZTNU-MRXNPFEDSA-N 2 1 370.278 3.255 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000089116143 494267779 /nfs/dbraw/zinc/26/77/79/494267779.db2.gz WKIGMNFJJMSYNP-OAHLLOKOSA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000089116143 494267782 /nfs/dbraw/zinc/26/77/82/494267782.db2.gz WKIGMNFJJMSYNP-OAHLLOKOSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC(C[NH+]2CCCCCC2)CC1)c1ccccc1 ZINC000066046031 494272502 /nfs/dbraw/zinc/27/25/02/494272502.db2.gz SSVRYACCIQVAMC-NRFANRHFSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066196710 494287683 /nfs/dbraw/zinc/28/76/83/494287683.db2.gz OUCLVJFWBMGUNI-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523127 494313717 /nfs/dbraw/zinc/31/37/17/494313717.db2.gz SSCZEDVZGLAYOW-ICSRJNTNSA-N 2 1 360.546 3.017 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000078804627 494364715 /nfs/dbraw/zinc/36/47/15/494364715.db2.gz SUJIXHGUPLERCI-IFMALSPDSA-N 2 1 360.542 3.246 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000073494057 494378022 /nfs/dbraw/zinc/37/80/22/494378022.db2.gz KODAYGCKTPINCV-OTYNDTSQSA-N 2 1 372.557 3.166 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000073724275 494418887 /nfs/dbraw/zinc/41/88/87/494418887.db2.gz ZRSZVQWHNMKOMF-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000073724275 494418890 /nfs/dbraw/zinc/41/88/90/494418890.db2.gz ZRSZVQWHNMKOMF-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000073724275 494418893 /nfs/dbraw/zinc/41/88/93/494418893.db2.gz ZRSZVQWHNMKOMF-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000090010461 494428185 /nfs/dbraw/zinc/42/81/85/494428185.db2.gz JOPLKTGFZCPRTC-NRFANRHFSA-N 2 1 357.542 3.074 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000073959231 494457290 /nfs/dbraw/zinc/45/72/90/494457290.db2.gz GIAIVFPDWIFOIA-MJGOQNOKSA-N 2 1 363.571 3.368 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090525005 494477802 /nfs/dbraw/zinc/47/78/02/494477802.db2.gz TZVXUJODYOVBTB-YSSFQJQWSA-N 2 1 362.514 3.122 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000090524377 494478413 /nfs/dbraw/zinc/47/84/13/494478413.db2.gz UHZDOFFFKFPQQT-JJXUHFIVSA-N 2 1 363.521 3.310 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526255 494478631 /nfs/dbraw/zinc/47/86/31/494478631.db2.gz CTSNZVBIQOUZKU-JVPBZIDWSA-N 2 1 350.478 3.253 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000090586405 494484257 /nfs/dbraw/zinc/48/42/57/494484257.db2.gz LDQVKMRCXPESQF-JKSUJKDBSA-N 2 1 370.534 3.248 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000090586405 494484258 /nfs/dbraw/zinc/48/42/58/494484258.db2.gz LDQVKMRCXPESQF-JKSUJKDBSA-N 2 1 370.534 3.248 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249907 494504111 /nfs/dbraw/zinc/50/41/11/494504111.db2.gz TUCHEROKCVMJQS-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067389509 494530379 /nfs/dbraw/zinc/53/03/79/494530379.db2.gz FCFQDLZWMMHWNC-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000074470489 494543776 /nfs/dbraw/zinc/54/37/76/494543776.db2.gz MQEJONUNXYKZGD-CVEARBPZSA-N 2 1 357.498 3.487 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3nc4ccccc4n3C)CC2)nc(C)[nH+]1 ZINC000091368029 494587419 /nfs/dbraw/zinc/58/74/19/494587419.db2.gz RHEDDQLCUZJXFD-HNNXBMFYSA-N 2 1 364.497 3.300 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785786 494621242 /nfs/dbraw/zinc/62/12/42/494621242.db2.gz QKZQWNJTUUNPFB-AZUAARDMSA-N 2 1 360.546 3.053 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000115789722 494622513 /nfs/dbraw/zinc/62/25/13/494622513.db2.gz DQPQWOUVBHKWHW-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024571057 494640741 /nfs/dbraw/zinc/64/07/41/494640741.db2.gz FFASVFJWLOCTCI-IBGZPJMESA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992081 494670280 /nfs/dbraw/zinc/67/02/80/494670280.db2.gz MLEFURVPYZZXHG-RTWAWAEBSA-N 2 1 357.542 3.245 20 0 FGADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992082 494670321 /nfs/dbraw/zinc/67/03/21/494670321.db2.gz MLEFURVPYZZXHG-LEWJYISDSA-N 2 1 357.542 3.245 20 0 FGADMP C[NH+](C)CCOc1ccccc1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000080331366 494678888 /nfs/dbraw/zinc/67/88/88/494678888.db2.gz RXWPFZSXHRUMPG-UHFFFAOYSA-N 2 1 361.530 3.011 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000108429099 494705064 /nfs/dbraw/zinc/70/50/64/494705064.db2.gz RUKGHOZHSQVFAD-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000108567443 494741959 /nfs/dbraw/zinc/74/19/59/494741959.db2.gz QNRCXDBTTFZLSL-OAQYLSRUSA-N 2 1 372.557 3.204 20 0 FGADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080610603 494743890 /nfs/dbraw/zinc/74/38/90/494743890.db2.gz BLUWDRXZEXYDIV-HKUYNNGSSA-N 2 1 359.539 3.048 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080653251 494754268 /nfs/dbraw/zinc/75/42/68/494754268.db2.gz NOEPPGPIVMTWBP-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080653251 494754272 /nfs/dbraw/zinc/75/42/72/494754272.db2.gz NOEPPGPIVMTWBP-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821126 494764609 /nfs/dbraw/zinc/76/46/09/494764609.db2.gz JRLKDENHUQRLSJ-QGZVFWFLSA-N 2 1 358.530 3.067 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821535 494764850 /nfs/dbraw/zinc/76/48/50/494764850.db2.gz PEBIVABXTLVNPP-KDURUIRLSA-N 2 1 372.557 3.409 20 0 FGADMP OCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629253 505740732 /nfs/dbraw/zinc/74/07/32/505740732.db2.gz BXBXQINRYKISMG-NRFANRHFSA-N 2 1 366.505 3.345 20 0 FGADMP OCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629253 505740735 /nfs/dbraw/zinc/74/07/35/505740735.db2.gz BXBXQINRYKISMG-NRFANRHFSA-N 2 1 366.505 3.345 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000075538694 494789897 /nfs/dbraw/zinc/78/98/97/494789897.db2.gz ZKKODZTVYJLBIT-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132709 494830148 /nfs/dbraw/zinc/83/01/48/494830148.db2.gz VPUHWHBIKLCPFO-NRFANRHFSA-N 2 1 368.500 3.100 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126886784 494856502 /nfs/dbraw/zinc/85/65/02/494856502.db2.gz ZDGPSVMUZJETSV-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP CCC[N@H+](Cc1cnn(CC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417535 494890277 /nfs/dbraw/zinc/89/02/77/494890277.db2.gz GDODLLYKZUBJET-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP CCC[N@@H+](Cc1cnn(CC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417535 494890284 /nfs/dbraw/zinc/89/02/84/494890284.db2.gz GDODLLYKZUBJET-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP Cc1cnccc1NC(=O)N[C@@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000121999521 494906502 /nfs/dbraw/zinc/90/65/02/494906502.db2.gz LIXYJWGYIQFBLB-HNNXBMFYSA-N 2 1 371.460 3.164 20 0 FGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000093704872 494913284 /nfs/dbraw/zinc/91/32/84/494913284.db2.gz CWIZUPGZFDFRPK-NRFANRHFSA-N 2 1 365.525 3.182 20 0 FGADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000093704872 494913285 /nfs/dbraw/zinc/91/32/85/494913285.db2.gz CWIZUPGZFDFRPK-NRFANRHFSA-N 2 1 365.525 3.182 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093693732 494913857 /nfs/dbraw/zinc/91/38/57/494913857.db2.gz GAROPEKXIKENMM-GOSISDBHSA-N 2 1 358.486 3.121 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093693732 494913861 /nfs/dbraw/zinc/91/38/61/494913861.db2.gz GAROPEKXIKENMM-GOSISDBHSA-N 2 1 358.486 3.121 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc4c[nH]nc43)CC2)C[C@H](C)O1 ZINC000093844286 494927443 /nfs/dbraw/zinc/92/74/43/494927443.db2.gz YYHDVHVXVGHFOZ-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2cccs2)C[C@H](C)O1 ZINC000093962034 494938598 /nfs/dbraw/zinc/93/85/98/494938598.db2.gz LDFJMSBNSGZSPR-IYBDPMFKSA-N 2 1 362.543 3.128 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122285663 494952577 /nfs/dbraw/zinc/95/25/77/494952577.db2.gz VUIPCCIINAQGLG-MRXNPFEDSA-N 2 1 358.482 3.495 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000127911896 495016957 /nfs/dbraw/zinc/01/69/57/495016957.db2.gz FWLNRSJVZWBUAA-BPAFIMBUSA-N 2 1 359.489 3.329 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000128195080 495059452 /nfs/dbraw/zinc/05/94/52/495059452.db2.gz SOXIHJRXJSITPT-WMZOPIPTSA-N 2 1 355.482 3.185 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000128195080 495059455 /nfs/dbraw/zinc/05/94/55/495059455.db2.gz SOXIHJRXJSITPT-WMZOPIPTSA-N 2 1 355.482 3.185 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000128195291 495059659 /nfs/dbraw/zinc/05/96/59/495059659.db2.gz SOXIHJRXJSITPT-AEFFLSMTSA-N 2 1 355.482 3.185 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000128195291 495059663 /nfs/dbraw/zinc/05/96/63/495059663.db2.gz SOXIHJRXJSITPT-AEFFLSMTSA-N 2 1 355.482 3.185 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000118963389 495059844 /nfs/dbraw/zinc/05/98/44/495059844.db2.gz QQMFIDZPWDAOPK-DNVCBOLYSA-N 2 1 354.922 3.241 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122962548 495060957 /nfs/dbraw/zinc/06/09/57/495060957.db2.gz MKDGWGZNUTZVEY-GOSISDBHSA-N 2 1 374.550 3.479 20 0 FGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000128275949 495072171 /nfs/dbraw/zinc/07/21/71/495072171.db2.gz VSQFFOGUJCQDFD-GOSISDBHSA-N 2 1 353.938 3.417 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000111474234 495080054 /nfs/dbraw/zinc/08/00/54/495080054.db2.gz PHMUAGTZDGWSSP-KRWDZBQOSA-N 2 1 366.594 3.449 20 0 FGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593176 495083372 /nfs/dbraw/zinc/08/33/72/495083372.db2.gz XZIQOTUBROUOBS-LSDHHAIUSA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593176 495083375 /nfs/dbraw/zinc/08/33/75/495083375.db2.gz XZIQOTUBROUOBS-LSDHHAIUSA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593176 495083379 /nfs/dbraw/zinc/08/33/79/495083379.db2.gz XZIQOTUBROUOBS-LSDHHAIUSA-N 2 1 358.404 3.353 20 0 FGADMP C[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101663865 495090270 /nfs/dbraw/zinc/09/02/70/495090270.db2.gz DUGSFWFELXPHPR-BBWFWOEESA-N 2 1 363.571 3.338 20 0 FGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000119105676 495094283 /nfs/dbraw/zinc/09/42/83/495094283.db2.gz DSPPKHDRHGHFQP-VNTMZGSJSA-N 2 1 363.546 3.142 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000128695389 495136457 /nfs/dbraw/zinc/13/64/57/495136457.db2.gz UGSRHLADJHLEPG-ICSRJNTNSA-N 2 1 364.578 3.157 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119421362 495163286 /nfs/dbraw/zinc/16/32/86/495163286.db2.gz ZGIWLDGWUXWFFY-KGLIPLIRSA-N 2 1 365.905 3.140 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119589541 495196929 /nfs/dbraw/zinc/19/69/29/495196929.db2.gz LMNWPUAMYMLKAY-CBQOVEMMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119589541 495196931 /nfs/dbraw/zinc/19/69/31/495196931.db2.gz LMNWPUAMYMLKAY-CBQOVEMMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119589541 495196933 /nfs/dbraw/zinc/19/69/33/495196933.db2.gz LMNWPUAMYMLKAY-CBQOVEMMSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000129303051 495226111 /nfs/dbraw/zinc/22/61/11/495226111.db2.gz ZOEHOHPKYYGFQL-ICSRJNTNSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1n1ccnc1 ZINC000129683709 495280617 /nfs/dbraw/zinc/28/06/17/495280617.db2.gz DLMKAKWVPFJGNO-HIFRSBDPSA-N 2 1 354.376 3.302 20 0 FGADMP C[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1n1ccnc1 ZINC000129683709 495280621 /nfs/dbraw/zinc/28/06/21/495280621.db2.gz DLMKAKWVPFJGNO-HIFRSBDPSA-N 2 1 354.376 3.302 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000124420710 495284194 /nfs/dbraw/zinc/28/41/94/495284194.db2.gz BWMIRMQHBZBLIQ-HXUWFJFHSA-N 2 1 357.542 3.380 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+](C)C1CCCC1 ZINC000104787362 495304830 /nfs/dbraw/zinc/30/48/30/495304830.db2.gz VOOSTYCICORCNT-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CCCC1 ZINC000104787362 495304832 /nfs/dbraw/zinc/30/48/32/495304832.db2.gz VOOSTYCICORCNT-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104787362 495304835 /nfs/dbraw/zinc/30/48/35/495304835.db2.gz VOOSTYCICORCNT-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120250380 495336209 /nfs/dbraw/zinc/33/62/09/495336209.db2.gz QCJBUMWYBXTERT-QVAOEQBBSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120250032 495336227 /nfs/dbraw/zinc/33/62/27/495336227.db2.gz QCJBUMWYBXTERT-GOTUNDMSSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120250032 495336232 /nfs/dbraw/zinc/33/62/32/495336232.db2.gz QCJBUMWYBXTERT-GOTUNDMSSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120250032 495336234 /nfs/dbraw/zinc/33/62/34/495336234.db2.gz QCJBUMWYBXTERT-GOTUNDMSSA-N 2 1 362.558 3.033 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105113028 495337524 /nfs/dbraw/zinc/33/75/24/495337524.db2.gz PMAZADAAZTXECK-SFHVURJKSA-N 2 1 370.541 3.051 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105113028 495337530 /nfs/dbraw/zinc/33/75/30/495337530.db2.gz PMAZADAAZTXECK-SFHVURJKSA-N 2 1 370.541 3.051 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000105149855 495340960 /nfs/dbraw/zinc/34/09/60/495340960.db2.gz CUFUFSOMKZAHBM-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000105149855 495340963 /nfs/dbraw/zinc/34/09/63/495340963.db2.gz CUFUFSOMKZAHBM-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000105149855 495340966 /nfs/dbraw/zinc/34/09/66/495340966.db2.gz CUFUFSOMKZAHBM-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[C@@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241243 495348228 /nfs/dbraw/zinc/34/82/28/495348228.db2.gz BDMBZLKOAXDWHT-FQEVSTJZSA-N 2 1 374.573 3.065 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000105294807 495353392 /nfs/dbraw/zinc/35/33/92/495353392.db2.gz JMEDUARPCBRASV-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000105476709 495365827 /nfs/dbraw/zinc/36/58/27/495365827.db2.gz GBVYPLIVPSEISY-UHFFFAOYSA-N 2 1 362.518 3.066 20 0 FGADMP Cc1ccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000114455702 495377101 /nfs/dbraw/zinc/37/71/01/495377101.db2.gz NGLQNCKQFNDOTD-OAQYLSRUSA-N 2 1 357.542 3.429 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130364326 495380737 /nfs/dbraw/zinc/38/07/37/495380737.db2.gz RFGCSPFCUUCGMI-SJORKVTESA-N 2 1 356.514 3.342 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130364326 495380743 /nfs/dbraw/zinc/38/07/43/495380743.db2.gz RFGCSPFCUUCGMI-SJORKVTESA-N 2 1 356.514 3.342 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000125516664 495457327 /nfs/dbraw/zinc/45/73/27/495457327.db2.gz QRUOQWWPOKMLMM-UHFFFAOYSA-N 2 1 356.470 3.178 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000125516664 495457331 /nfs/dbraw/zinc/45/73/31/495457331.db2.gz QRUOQWWPOKMLMM-UHFFFAOYSA-N 2 1 356.470 3.178 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106522017 495461630 /nfs/dbraw/zinc/46/16/30/495461630.db2.gz SRQJNUVBWLFGTO-FQEVSTJZSA-N 2 1 370.541 3.099 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCCC1 ZINC000125606859 495470563 /nfs/dbraw/zinc/47/05/63/495470563.db2.gz YTVVCJHYUUFLIP-GJZGRUSLSA-N 2 1 356.507 3.002 20 0 FGADMP COCCCOc1cccc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1 ZINC000120925324 495486826 /nfs/dbraw/zinc/48/68/26/495486826.db2.gz CFOGCKWRLSEULX-UHFFFAOYSA-N 2 1 355.482 3.128 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158564692 495539205 /nfs/dbraw/zinc/53/92/05/495539205.db2.gz FKLDNRZFWAAQOM-KSZLIROESA-N 2 1 366.571 3.499 20 0 FGADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580567982 505788180 /nfs/dbraw/zinc/78/81/80/505788180.db2.gz QZENANSKNNHYHR-HXUWFJFHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)C[C@@H]1n1ccnc1 ZINC000159008074 495635842 /nfs/dbraw/zinc/63/58/42/495635842.db2.gz MUTYXYXCSBHEBV-LZQZEXGQSA-N 2 1 356.445 3.101 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000159015253 495638067 /nfs/dbraw/zinc/63/80/67/495638067.db2.gz BXJXZWOKSYSGPV-UHFFFAOYSA-N 2 1 371.529 3.182 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000159015253 495638074 /nfs/dbraw/zinc/63/80/74/495638074.db2.gz BXJXZWOKSYSGPV-UHFFFAOYSA-N 2 1 371.529 3.182 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[NH+](C)C2)c1 ZINC000170913794 495650118 /nfs/dbraw/zinc/65/01/18/495650118.db2.gz JIHWELSDTACSBN-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000170913794 495650123 /nfs/dbraw/zinc/65/01/23/495650123.db2.gz JIHWELSDTACSBN-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)c1 ZINC000170913794 495650128 /nfs/dbraw/zinc/65/01/28/495650128.db2.gz JIHWELSDTACSBN-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP C[N@@H+](CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000170923386 495653599 /nfs/dbraw/zinc/65/35/99/495653599.db2.gz HHCBOMHQSWCZIY-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)C[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154643271 495681838 /nfs/dbraw/zinc/68/18/38/495681838.db2.gz JFNWQPRPUIXGSC-IBGZPJMESA-N 2 1 350.522 3.467 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000185711412 495691942 /nfs/dbraw/zinc/69/19/42/495691942.db2.gz DLDKSNKGRQTQTN-ZHALLVOQSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000185711412 495691947 /nfs/dbraw/zinc/69/19/47/495691947.db2.gz DLDKSNKGRQTQTN-ZHALLVOQSA-N 2 1 371.525 3.043 20 0 FGADMP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000185715896 495694633 /nfs/dbraw/zinc/69/46/33/495694633.db2.gz KMZDAEJRMXQKOH-HOTGVXAUSA-N 2 1 350.478 3.010 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171040168 495699405 /nfs/dbraw/zinc/69/94/05/495699405.db2.gz WHLHWGHLWWUADA-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000182780257 495700249 /nfs/dbraw/zinc/70/02/49/495700249.db2.gz RCGSIYLLOGCLTP-SFHVURJKSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000182780257 495700254 /nfs/dbraw/zinc/70/02/54/495700254.db2.gz RCGSIYLLOGCLTP-SFHVURJKSA-N 2 1 372.557 3.026 20 0 FGADMP COc1ccc([C@H](C)C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000179909908 495779781 /nfs/dbraw/zinc/77/97/81/495779781.db2.gz AMRNAFJNAQEIOV-AQNXPRMDSA-N 2 1 359.558 3.289 20 0 FGADMP Cc1[nH]nc2ncc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658357 505807211 /nfs/dbraw/zinc/80/72/11/505807211.db2.gz DYYFBZGXPJNJGM-PMACEKPBSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658357 505807213 /nfs/dbraw/zinc/80/72/13/505807213.db2.gz DYYFBZGXPJNJGM-PMACEKPBSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658357 505807215 /nfs/dbraw/zinc/80/72/15/505807215.db2.gz DYYFBZGXPJNJGM-PMACEKPBSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658357 505807218 /nfs/dbraw/zinc/80/72/18/505807218.db2.gz DYYFBZGXPJNJGM-PMACEKPBSA-N 2 1 361.493 3.220 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000171384549 495848641 /nfs/dbraw/zinc/84/86/41/495848641.db2.gz FJLVUXQJHRZESN-QHCPKHFHSA-N 2 1 352.522 3.434 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000151993175 496015769 /nfs/dbraw/zinc/01/57/69/496015769.db2.gz UNCXBQGJXLOINB-IBGZPJMESA-N 2 1 369.513 3.054 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000568966419 505820404 /nfs/dbraw/zinc/82/04/04/505820404.db2.gz MMSCJSBLNAOZAW-NRFANRHFSA-N 2 1 372.557 3.470 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000174688014 496063008 /nfs/dbraw/zinc/06/30/08/496063008.db2.gz XXIAVKYBCBWFQZ-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP Brc1cncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000186619505 496075669 /nfs/dbraw/zinc/07/56/69/496075669.db2.gz INUWWJMSIFPQHC-QGZVFWFLSA-N 2 1 374.326 3.498 20 0 FGADMP Brc1cncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000186619505 496075675 /nfs/dbraw/zinc/07/56/75/496075675.db2.gz INUWWJMSIFPQHC-QGZVFWFLSA-N 2 1 374.326 3.498 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccco2)cc1 ZINC000183687948 496080484 /nfs/dbraw/zinc/08/04/84/496080484.db2.gz KCPKGKNIUOXMOT-KXBFYZLASA-N 2 1 355.438 3.002 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)n1 ZINC000152254502 496095191 /nfs/dbraw/zinc/09/51/91/496095191.db2.gz WTSYOKNTIZOVCL-IBGZPJMESA-N 2 1 352.482 3.385 20 0 FGADMP C[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840959 505824824 /nfs/dbraw/zinc/82/48/24/505824824.db2.gz BKJLLCMYNFNYRO-JNEKLRAESA-N 2 1 373.585 3.314 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840959 505824827 /nfs/dbraw/zinc/82/48/27/505824827.db2.gz BKJLLCMYNFNYRO-JNEKLRAESA-N 2 1 373.585 3.314 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840959 505824829 /nfs/dbraw/zinc/82/48/29/505824829.db2.gz BKJLLCMYNFNYRO-JNEKLRAESA-N 2 1 373.585 3.314 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152457674 496157751 /nfs/dbraw/zinc/15/77/51/496157751.db2.gz AQLOFVHKKCQNFN-UEXGIBASSA-N 2 1 360.542 3.452 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000183914226 496159016 /nfs/dbraw/zinc/15/90/16/496159016.db2.gz YMLGNGAEUSSFLZ-OAQYLSRUSA-N 2 1 359.558 3.380 20 0 FGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000156223735 496191496 /nfs/dbraw/zinc/19/14/96/496191496.db2.gz HTLQUSXUILEQOS-MSOLQXFVSA-N 2 1 364.497 3.224 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152628134 496207395 /nfs/dbraw/zinc/20/73/95/496207395.db2.gz VKBAABLKMLLAGT-NLWGTHIKSA-N 2 1 360.542 3.370 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000161629737 496211566 /nfs/dbraw/zinc/21/15/66/496211566.db2.gz WOALXMLFMNDIBY-WMZOPIPTSA-N 2 1 372.557 3.258 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776310 496236272 /nfs/dbraw/zinc/23/62/72/496236272.db2.gz IETMZUHPKHEASP-LPHOPBHVSA-N 2 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776310 496236275 /nfs/dbraw/zinc/23/62/75/496236275.db2.gz IETMZUHPKHEASP-LPHOPBHVSA-N 3 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776310 496236278 /nfs/dbraw/zinc/23/62/78/496236278.db2.gz IETMZUHPKHEASP-LPHOPBHVSA-N 3 1 364.603 3.237 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CC2 ZINC000152832536 496269901 /nfs/dbraw/zinc/26/99/01/496269901.db2.gz MUFPKWYNHMXPBX-JOCHJYFZSA-N 2 1 351.494 3.374 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172418020 496289551 /nfs/dbraw/zinc/28/95/51/496289551.db2.gz RLZQDMZONDAMCR-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172418020 496289557 /nfs/dbraw/zinc/28/95/57/496289557.db2.gz RLZQDMZONDAMCR-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172418020 496289561 /nfs/dbraw/zinc/28/95/61/496289561.db2.gz RLZQDMZONDAMCR-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000152904042 496292186 /nfs/dbraw/zinc/29/21/86/496292186.db2.gz VRTGWNVWRJDVNE-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000152904042 496292191 /nfs/dbraw/zinc/29/21/91/496292191.db2.gz VRTGWNVWRJDVNE-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000152904042 496292197 /nfs/dbraw/zinc/29/21/97/496292197.db2.gz VRTGWNVWRJDVNE-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000152904042 496292203 /nfs/dbraw/zinc/29/22/03/496292203.db2.gz VRTGWNVWRJDVNE-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000152904042 496292207 /nfs/dbraw/zinc/29/22/07/496292207.db2.gz VRTGWNVWRJDVNE-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178052767 496306674 /nfs/dbraw/zinc/30/66/74/496306674.db2.gz BZYLDCQNAXQDNB-OAHLLOKOSA-N 2 1 359.437 3.007 20 0 FGADMP Cc1cc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)nc(C)[nH+]1 ZINC000162224615 496316991 /nfs/dbraw/zinc/31/69/91/496316991.db2.gz ILJOQXAEUSZBLV-UHFFFAOYSA-N 3 1 371.573 3.449 20 0 FGADMP CC[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)[N@H+](C)Cc1ccccc1 ZINC000569043675 505836950 /nfs/dbraw/zinc/83/69/50/505836950.db2.gz NSDWYVPPZZDXGJ-WOJBJXKFSA-N 2 1 354.498 3.093 20 0 FGADMP CC[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)[N@@H+](C)Cc1ccccc1 ZINC000569043675 505836951 /nfs/dbraw/zinc/83/69/51/505836951.db2.gz NSDWYVPPZZDXGJ-WOJBJXKFSA-N 2 1 354.498 3.093 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000162300160 496331507 /nfs/dbraw/zinc/33/15/07/496331507.db2.gz QSJMLMKVRJUTDW-OAHLLOKOSA-N 2 1 370.497 3.430 20 0 FGADMP Cc1nc2ccccc2n1CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000175333330 496343832 /nfs/dbraw/zinc/34/38/32/496343832.db2.gz QLPCQKCQXUTHFR-AYHJJNSGSA-N 2 1 369.513 3.049 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000172568869 496343908 /nfs/dbraw/zinc/34/39/08/496343908.db2.gz CZHRTGHEINWTDS-OAQYLSRUSA-N 2 1 372.557 3.258 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000187293345 496380240 /nfs/dbraw/zinc/38/02/40/496380240.db2.gz ZYQMVDIBXFHGFM-INIZCTEOSA-N 2 1 369.513 3.367 20 0 FGADMP C[C@@H]([NH2+]CC[C@H](C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000184502598 496414695 /nfs/dbraw/zinc/41/46/95/496414695.db2.gz BUMUHPRBYZHBEL-LSDHHAIUSA-N 2 1 356.507 3.144 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000162841861 496420751 /nfs/dbraw/zinc/42/07/51/496420751.db2.gz OGEWKWCRZSLAFF-FQEVSTJZSA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000578024495 505843505 /nfs/dbraw/zinc/84/35/05/505843505.db2.gz ZMAHHLOGIAXEQN-GOSISDBHSA-N 2 1 351.922 3.133 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000157357827 496461956 /nfs/dbraw/zinc/46/19/56/496461956.db2.gz JNNJXSVBLAIKHN-SQGPQFPESA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640582 496477766 /nfs/dbraw/zinc/47/77/66/496477766.db2.gz IIXLNEVKIQAZAU-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640582 496477768 /nfs/dbraw/zinc/47/77/68/496477768.db2.gz IIXLNEVKIQAZAU-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640582 496477771 /nfs/dbraw/zinc/47/77/71/496477771.db2.gz IIXLNEVKIQAZAU-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000175639401 496477966 /nfs/dbraw/zinc/47/79/66/496477966.db2.gz UKGPJZURCCXTCV-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000175639401 496477972 /nfs/dbraw/zinc/47/79/72/496477972.db2.gz UKGPJZURCCXTCV-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000175639401 496477978 /nfs/dbraw/zinc/47/79/78/496477978.db2.gz UKGPJZURCCXTCV-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000153546494 496493448 /nfs/dbraw/zinc/49/34/48/496493448.db2.gz HNDQDLCAOOIZNH-IEBWSBKVSA-N 2 1 370.459 3.417 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)ccc1F ZINC000178778789 496567319 /nfs/dbraw/zinc/56/73/19/496567319.db2.gz YLWMHWOXKFRWAS-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP COCC[N@@H+](C)CCCN[C@H]1CCCOc2c(Br)cccc21 ZINC000153751726 496567618 /nfs/dbraw/zinc/56/76/18/496567618.db2.gz PGVZDNRBMARGAG-INIZCTEOSA-N 2 1 371.319 3.221 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000153751726 496567624 /nfs/dbraw/zinc/56/76/24/496567624.db2.gz PGVZDNRBMARGAG-INIZCTEOSA-N 2 1 371.319 3.221 20 0 FGADMP CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000580865282 505855615 /nfs/dbraw/zinc/85/56/15/505855615.db2.gz RTAWSMNNOJHSAV-OAQYLSRUSA-N 2 1 371.500 3.414 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164640028 496624993 /nfs/dbraw/zinc/62/49/93/496624993.db2.gz VHSRFKBZAGFBCL-HKBOAZHASA-N 3 1 351.579 3.122 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000164640028 496624997 /nfs/dbraw/zinc/62/49/97/496624997.db2.gz VHSRFKBZAGFBCL-HKBOAZHASA-N 2 1 351.579 3.122 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166077608 496677315 /nfs/dbraw/zinc/67/73/15/496677315.db2.gz SEDWLBGJQHWAOQ-JTHBVZDNSA-N 3 1 370.585 3.114 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168333 496677797 /nfs/dbraw/zinc/67/77/97/496677797.db2.gz BNRNUWXKVZSLDK-SXGZJXTBSA-N 2 1 351.485 3.248 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166343192 496684807 /nfs/dbraw/zinc/68/48/07/496684807.db2.gz PRQKYXAOBLFQNG-ZRGWGRIASA-N 2 1 359.514 3.436 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000185207109 496704156 /nfs/dbraw/zinc/70/41/56/496704156.db2.gz AIRUFHYELGJSIC-UHFFFAOYSA-N 2 1 374.794 3.383 20 0 FGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Oc1cccnc1 ZINC000574810522 505860690 /nfs/dbraw/zinc/86/06/90/505860690.db2.gz JFYYDBFXGBPHPI-LJQANCHMSA-N 2 1 367.493 3.370 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499656 496714463 /nfs/dbraw/zinc/71/44/63/496714463.db2.gz ILXCTYRNMXNZBL-FPOVZHCZSA-N 2 1 367.493 3.126 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499656 496714466 /nfs/dbraw/zinc/71/44/66/496714466.db2.gz ILXCTYRNMXNZBL-FPOVZHCZSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499656 496714470 /nfs/dbraw/zinc/71/44/70/496714470.db2.gz ILXCTYRNMXNZBL-FPOVZHCZSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499656 496714475 /nfs/dbraw/zinc/71/44/75/496714475.db2.gz ILXCTYRNMXNZBL-FPOVZHCZSA-N 2 1 367.493 3.126 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000185319633 496728713 /nfs/dbraw/zinc/72/87/13/496728713.db2.gz MJEAOTQUMPBRES-GOSISDBHSA-N 2 1 360.546 3.154 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268748555 496772880 /nfs/dbraw/zinc/77/28/80/496772880.db2.gz ILPUQGJQPALROW-QUCCMNQESA-N 2 1 367.541 3.190 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268748555 496772882 /nfs/dbraw/zinc/77/28/82/496772882.db2.gz ILPUQGJQPALROW-QUCCMNQESA-N 2 1 367.541 3.190 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268767943 496780278 /nfs/dbraw/zinc/78/02/78/496780278.db2.gz COFXEWPKBHMVES-JRGCBEDISA-N 2 1 354.494 3.229 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782518 496784085 /nfs/dbraw/zinc/78/40/85/496784085.db2.gz UNHOCCAWRWDCBU-OXJNMPFZSA-N 2 1 352.482 3.177 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000191500086 496785782 /nfs/dbraw/zinc/78/57/82/496785782.db2.gz OOXAJQVLYWAHNP-UHFFFAOYSA-N 2 1 356.474 3.055 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(-c2cnn(C)c2C)no1 ZINC000191500086 496785787 /nfs/dbraw/zinc/78/57/87/496785787.db2.gz OOXAJQVLYWAHNP-UHFFFAOYSA-N 2 1 356.474 3.055 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247123138 496785716 /nfs/dbraw/zinc/78/57/16/496785716.db2.gz AMTCPVIPTWDBMB-JKIFEVAISA-N 2 1 367.440 3.031 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000191503474 496787131 /nfs/dbraw/zinc/78/71/31/496787131.db2.gz HXCVGAMFLCEMBQ-INIZCTEOSA-N 2 1 358.486 3.193 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000191503474 496787137 /nfs/dbraw/zinc/78/71/37/496787137.db2.gz HXCVGAMFLCEMBQ-INIZCTEOSA-N 2 1 358.486 3.193 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccccc1I ZINC000268801655 496791042 /nfs/dbraw/zinc/79/10/42/496791042.db2.gz JNVQPAHPPXAORT-LLVKDONJSA-N 2 1 355.223 3.147 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000268811159 496791693 /nfs/dbraw/zinc/79/16/93/496791693.db2.gz KVARXCAJBKFXDS-INIZCTEOSA-N 2 1 357.523 3.295 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000191518024 496794886 /nfs/dbraw/zinc/79/48/86/496794886.db2.gz QMDAOFRAIRTLLI-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000191518024 496794891 /nfs/dbraw/zinc/79/48/91/496794891.db2.gz QMDAOFRAIRTLLI-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273405752 496797122 /nfs/dbraw/zinc/79/71/22/496797122.db2.gz HPHRKVBOYJAQKQ-LVCYWYKZSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268849717 496803061 /nfs/dbraw/zinc/80/30/61/496803061.db2.gz BJLABLFJRDNHFD-CWJKEVGVSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268849717 496803064 /nfs/dbraw/zinc/80/30/64/496803064.db2.gz BJLABLFJRDNHFD-CWJKEVGVSA-N 2 1 357.542 3.276 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000268853461 496804471 /nfs/dbraw/zinc/80/44/71/496804471.db2.gz KZWUDTSITHOSST-HNNXBMFYSA-N 2 1 350.260 3.458 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000572003947 505867336 /nfs/dbraw/zinc/86/73/36/505867336.db2.gz SKFVRWUXVBYAOU-ZWKOTPCHSA-N 2 1 357.542 3.221 20 0 FGADMP CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000247239323 496812753 /nfs/dbraw/zinc/81/27/53/496812753.db2.gz XKKSBXSGTRHRLO-SCTDSRPQSA-N 2 1 361.530 3.067 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000247254925 496816765 /nfs/dbraw/zinc/81/67/65/496816765.db2.gz ZZJZGTAUJHMFDN-KNQAVFIVSA-N 2 1 369.557 3.493 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CSCc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000247259787 496818306 /nfs/dbraw/zinc/81/83/06/496818306.db2.gz DYTIBYFCRNYHIX-FUHWJXTLSA-N 2 1 374.554 3.065 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000574850103 505868097 /nfs/dbraw/zinc/86/80/97/505868097.db2.gz HBDAZBRCWQTNTA-SFTDATJTSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134400 496830597 /nfs/dbraw/zinc/83/05/97/496830597.db2.gz PEICGTNEGZFYNA-MJGOQNOKSA-N 2 1 372.534 3.263 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000247340491 496838793 /nfs/dbraw/zinc/83/87/93/496838793.db2.gz ZUOPPJLKNXOZMF-SIKLNZKXSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000247559809 496889088 /nfs/dbraw/zinc/88/90/88/496889088.db2.gz QRHMQEYLJFRVBS-UYAOXDASSA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000247559809 496889090 /nfs/dbraw/zinc/88/90/90/496889090.db2.gz QRHMQEYLJFRVBS-UYAOXDASSA-N 2 1 356.510 3.243 20 0 FGADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247641895 496898042 /nfs/dbraw/zinc/89/80/42/496898042.db2.gz SZYQTYWJBZBJHU-RRPUWOKSSA-N 2 1 372.553 3.249 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247734508 496910713 /nfs/dbraw/zinc/91/07/13/496910713.db2.gz VKPWCVKGZJPUFG-OTYNDTSQSA-N 2 1 355.526 3.173 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247734508 496910718 /nfs/dbraw/zinc/91/07/18/496910718.db2.gz VKPWCVKGZJPUFG-OTYNDTSQSA-N 2 1 355.526 3.173 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247734508 496910723 /nfs/dbraw/zinc/91/07/23/496910723.db2.gz VKPWCVKGZJPUFG-OTYNDTSQSA-N 2 1 355.526 3.173 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000247885138 496924220 /nfs/dbraw/zinc/92/42/20/496924220.db2.gz CTKPFSPKQDMKEW-BZSNNMDCSA-N 2 1 356.514 3.331 20 0 FGADMP O=C(c1ccc2nccn2c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247920322 496927336 /nfs/dbraw/zinc/92/73/36/496927336.db2.gz BCBVYTWFPIAYDD-TZIWHRDSSA-N 2 1 374.488 3.461 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000248025638 496943483 /nfs/dbraw/zinc/94/34/83/496943483.db2.gz OTIRCGFGLOGVFS-UKPHBRMFSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000248025638 496943488 /nfs/dbraw/zinc/94/34/88/496943488.db2.gz OTIRCGFGLOGVFS-UKPHBRMFSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000248036948 496946204 /nfs/dbraw/zinc/94/62/04/496946204.db2.gz RXZDXCRYJJKZMC-JKIFEVAISA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000248036948 496946211 /nfs/dbraw/zinc/94/62/11/496946211.db2.gz RXZDXCRYJJKZMC-JKIFEVAISA-N 2 1 373.324 3.149 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195619876 496954788 /nfs/dbraw/zinc/95/47/88/496954788.db2.gz CZPFYYDYLORWMV-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195619876 496954792 /nfs/dbraw/zinc/95/47/92/496954792.db2.gz CZPFYYDYLORWMV-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195619876 496954795 /nfs/dbraw/zinc/95/47/95/496954795.db2.gz CZPFYYDYLORWMV-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142684 496963488 /nfs/dbraw/zinc/96/34/88/496963488.db2.gz YXKPMZKXLQAVKG-HKBOAZHASA-N 2 1 351.494 3.241 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142684 496963489 /nfs/dbraw/zinc/96/34/89/496963489.db2.gz YXKPMZKXLQAVKG-HKBOAZHASA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142684 496963490 /nfs/dbraw/zinc/96/34/90/496963490.db2.gz YXKPMZKXLQAVKG-HKBOAZHASA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142684 496963491 /nfs/dbraw/zinc/96/34/91/496963491.db2.gz YXKPMZKXLQAVKG-HKBOAZHASA-N 2 1 351.494 3.241 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000248149533 496964705 /nfs/dbraw/zinc/96/47/05/496964705.db2.gz QPNBYOYWSWRGDQ-BVYOLEPJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000248149533 496964710 /nfs/dbraw/zinc/96/47/10/496964710.db2.gz QPNBYOYWSWRGDQ-BVYOLEPJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248149533 496964714 /nfs/dbraw/zinc/96/47/14/496964714.db2.gz QPNBYOYWSWRGDQ-BVYOLEPJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248149533 496964721 /nfs/dbraw/zinc/96/47/21/496964721.db2.gz QPNBYOYWSWRGDQ-BVYOLEPJSA-N 2 1 363.933 3.322 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000192034487 496969362 /nfs/dbraw/zinc/96/93/62/496969362.db2.gz HEQKBBJHNWOEGI-VQIMIIECSA-N 2 1 350.466 3.077 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217852 496973509 /nfs/dbraw/zinc/97/35/09/496973509.db2.gz ZZEAKHHGVUMLDS-WCVJEAGWSA-N 2 1 353.457 3.185 20 0 FGADMP CCc1cccc(OCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000269696534 496990928 /nfs/dbraw/zinc/99/09/28/496990928.db2.gz XJTJWJRVPJYFBN-UHFFFAOYSA-N 2 1 359.558 3.118 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390680 496991713 /nfs/dbraw/zinc/99/17/13/496991713.db2.gz BPRQGRPNHCLXMJ-RCZSKKKRSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390680 496991717 /nfs/dbraw/zinc/99/17/17/496991717.db2.gz BPRQGRPNHCLXMJ-RCZSKKKRSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390680 496991723 /nfs/dbraw/zinc/99/17/23/496991723.db2.gz BPRQGRPNHCLXMJ-RCZSKKKRSA-N 2 1 369.553 3.420 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000248444533 497013499 /nfs/dbraw/zinc/01/34/99/497013499.db2.gz LZJMDRHEWIJPOT-TZIWHRDSSA-N 2 1 370.468 3.396 20 0 FGADMP Cc1cccn2c(=O)cc(CN3CCC[C@H](C[N@@H+]4CCCC[C@@H]4C)C3)nc12 ZINC000265006897 497030066 /nfs/dbraw/zinc/03/00/66/497030066.db2.gz FCRJVVYWKQIOCN-OALUTQOASA-N 2 1 368.525 3.089 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248554118 497037159 /nfs/dbraw/zinc/03/71/59/497037159.db2.gz HPHGWECGPKZWOY-TXPKVOOTSA-N 2 1 366.933 3.322 20 0 FGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248655495 497074212 /nfs/dbraw/zinc/07/42/12/497074212.db2.gz BLOCTZJDGSQMTG-RTWAWAEBSA-N 2 1 374.912 3.384 20 0 FGADMP Cn1c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nnc1-c1ccc(Cl)cc1 ZINC000248680738 497079012 /nfs/dbraw/zinc/07/90/12/497079012.db2.gz FIWIMGPEAFFNSX-RDJZCZTQSA-N 2 1 359.905 3.052 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1cccs1 ZINC000578193305 505883807 /nfs/dbraw/zinc/88/38/07/505883807.db2.gz QRMGJVMTVHDPSA-QFBILLFUSA-N 2 1 363.571 3.273 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@H]21 ZINC000227343789 497087368 /nfs/dbraw/zinc/08/73/68/497087368.db2.gz CUYIHLDVASZGRX-RHSMWYFYSA-N 2 1 353.304 3.244 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248755629 497098960 /nfs/dbraw/zinc/09/89/60/497098960.db2.gz PKMFIHYYVIYGCJ-IRLDBZIGSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248755629 497098965 /nfs/dbraw/zinc/09/89/65/497098965.db2.gz PKMFIHYYVIYGCJ-IRLDBZIGSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278404393 497103295 /nfs/dbraw/zinc/10/32/95/497103295.db2.gz OFJCCCDOPQCUQJ-UHFFFAOYSA-N 2 1 365.319 3.314 20 0 FGADMP C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200225 505884930 /nfs/dbraw/zinc/88/49/30/505884930.db2.gz LADQFUNPOAICBC-RXVVDRJESA-N 2 1 368.481 3.258 20 0 FGADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)c2csc(C[NH3+])n2)c1 ZINC000236728007 497138541 /nfs/dbraw/zinc/13/85/41/497138541.db2.gz GXWGSVZOCBKEPX-UHFFFAOYSA-N 2 1 360.527 3.154 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2csc(C[NH3+])n2)c1 ZINC000236728007 497138544 /nfs/dbraw/zinc/13/85/44/497138544.db2.gz GXWGSVZOCBKEPX-UHFFFAOYSA-N 2 1 360.527 3.154 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000236727109 497138555 /nfs/dbraw/zinc/13/85/55/497138555.db2.gz YTPAVZJTZIBVFH-LJQANCHMSA-N 2 1 363.571 3.020 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)CC[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000236763152 497142940 /nfs/dbraw/zinc/14/29/40/497142940.db2.gz BGMITWOBEFQLLW-LJQANCHMSA-N 2 1 371.550 3.436 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)CC[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000236763152 497142945 /nfs/dbraw/zinc/14/29/45/497142945.db2.gz BGMITWOBEFQLLW-LJQANCHMSA-N 2 1 371.550 3.436 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042950 497153725 /nfs/dbraw/zinc/15/37/25/497153725.db2.gz VJZUVCGRUWAYAB-LEWJYISDSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042950 497153730 /nfs/dbraw/zinc/15/37/30/497153730.db2.gz VJZUVCGRUWAYAB-LEWJYISDSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042950 497153735 /nfs/dbraw/zinc/15/37/35/497153735.db2.gz VJZUVCGRUWAYAB-LEWJYISDSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192638041 497172224 /nfs/dbraw/zinc/17/22/24/497172224.db2.gz VZWLJPSQNAYGCT-ZBFHGGJFSA-N 2 1 359.539 3.343 20 0 FGADMP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237035029 497182892 /nfs/dbraw/zinc/18/28/92/497182892.db2.gz MJTSUHQGXQXPFH-LAUBAEHRSA-N 2 1 351.494 3.443 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192684585 497183524 /nfs/dbraw/zinc/18/35/24/497183524.db2.gz HIIRUWJLPAMQKR-OAHLLOKOSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278685891 497189244 /nfs/dbraw/zinc/18/92/44/497189244.db2.gz RYWKSRJNBJCQSZ-SFTDATJTSA-N 2 1 368.525 3.455 20 0 FGADMP Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278685891 497189248 /nfs/dbraw/zinc/18/92/48/497189248.db2.gz RYWKSRJNBJCQSZ-SFTDATJTSA-N 2 1 368.525 3.455 20 0 FGADMP CC(C)OCCN1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885455 497190434 /nfs/dbraw/zinc/19/04/34/497190434.db2.gz IIVNBYUVVROVBC-IFMALSPDSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885455 497190439 /nfs/dbraw/zinc/19/04/39/497190439.db2.gz IIVNBYUVVROVBC-IFMALSPDSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885455 497190445 /nfs/dbraw/zinc/19/04/45/497190445.db2.gz IIVNBYUVVROVBC-IFMALSPDSA-N 2 1 373.585 3.376 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237193607 497203115 /nfs/dbraw/zinc/20/31/15/497203115.db2.gz BVDUDOGCLOJXCP-FKBYEOEOSA-N 2 1 369.553 3.278 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237222578 497206956 /nfs/dbraw/zinc/20/69/56/497206956.db2.gz YZDAUKOGWYLEBX-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000189731348 497226505 /nfs/dbraw/zinc/22/65/05/497226505.db2.gz SPQFXBBPUOSCDZ-OCCSQVGLSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000189731348 497226513 /nfs/dbraw/zinc/22/65/13/497226513.db2.gz SPQFXBBPUOSCDZ-OCCSQVGLSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189731348 497226518 /nfs/dbraw/zinc/22/65/18/497226518.db2.gz SPQFXBBPUOSCDZ-OCCSQVGLSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000189731348 497226523 /nfs/dbraw/zinc/22/65/23/497226523.db2.gz SPQFXBBPUOSCDZ-OCCSQVGLSA-N 2 1 356.379 3.149 20 0 FGADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927554 497248352 /nfs/dbraw/zinc/24/83/52/497248352.db2.gz RNQKNHWVPLQKAX-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192931180 497251439 /nfs/dbraw/zinc/25/14/39/497251439.db2.gz SJSCARXEKPUUJD-QGZVFWFLSA-N 2 1 355.448 3.125 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278878303 497252316 /nfs/dbraw/zinc/25/23/16/497252316.db2.gz MUVBYHJPMRDSEA-HXUWFJFHSA-N 2 1 364.493 3.352 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000271051727 497254069 /nfs/dbraw/zinc/25/40/69/497254069.db2.gz XJGSCDMOGBRCME-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000271051727 497254073 /nfs/dbraw/zinc/25/40/73/497254073.db2.gz XJGSCDMOGBRCME-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250285382 497264267 /nfs/dbraw/zinc/26/42/67/497264267.db2.gz KSGMZQHUHRNVAV-LEWJYISDSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250285382 497264272 /nfs/dbraw/zinc/26/42/72/497264272.db2.gz KSGMZQHUHRNVAV-LEWJYISDSA-N 2 1 360.542 3.179 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000237673910 497274271 /nfs/dbraw/zinc/27/42/71/497274271.db2.gz QGILKMIGPBSXKH-AVRDEDQJSA-N 2 1 365.521 3.105 20 0 FGADMP C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275392082 497311176 /nfs/dbraw/zinc/31/11/76/497311176.db2.gz COSIKWBHCREUHU-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP [NH3+][C@@H](CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237947537 497318207 /nfs/dbraw/zinc/31/82/07/497318207.db2.gz MSBBOIWGOFZJDD-RTWAWAEBSA-N 2 1 351.494 3.247 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000253028631 497322785 /nfs/dbraw/zinc/32/27/85/497322785.db2.gz HZVRXMSSSKQVAH-PZJWPPBQSA-N 2 1 357.473 3.137 20 0 FGADMP CCOC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193300301 497343952 /nfs/dbraw/zinc/34/39/52/497343952.db2.gz GTSPNQWSAKCTJB-UMQXSMKFSA-N 2 1 357.498 3.002 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190068542 497345283 /nfs/dbraw/zinc/34/52/83/497345283.db2.gz JPTCZYSPWOSGHW-QZTJIDSGSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190068542 497345284 /nfs/dbraw/zinc/34/52/84/497345284.db2.gz JPTCZYSPWOSGHW-QZTJIDSGSA-N 2 1 366.937 3.068 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCc2ncc[nH]2)C1 ZINC000279183058 497359776 /nfs/dbraw/zinc/35/97/76/497359776.db2.gz KLEHAURVZFIVDE-CALCHBBNSA-N 2 1 354.498 3.137 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245200840 497375327 /nfs/dbraw/zinc/37/53/27/497375327.db2.gz DESWCSMRNKIGFZ-CEXWTWQISA-N 2 1 357.542 3.071 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000279251209 497382513 /nfs/dbraw/zinc/38/25/13/497382513.db2.gz SXGCXWWJPIMTSO-RXVVDRJESA-N 2 1 357.542 3.265 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000245416720 497394352 /nfs/dbraw/zinc/39/43/52/497394352.db2.gz IPJXNIOSEKRZGD-VYDXJSESSA-N 2 1 358.511 3.021 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000275709838 497410615 /nfs/dbraw/zinc/41/06/15/497410615.db2.gz UNOIDRIYRVZBHI-NQIIRXRSSA-N 2 1 370.541 3.271 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000279459049 497445424 /nfs/dbraw/zinc/44/54/24/497445424.db2.gz OSSXOWMDIGPDPP-OALUTQOASA-N 2 1 357.542 3.409 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261924496 497477252 /nfs/dbraw/zinc/47/72/52/497477252.db2.gz BYRYRXDYMRNUEO-FQEVSTJZSA-N 2 1 358.917 3.387 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261924496 497477256 /nfs/dbraw/zinc/47/72/56/497477256.db2.gz BYRYRXDYMRNUEO-FQEVSTJZSA-N 2 1 358.917 3.387 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261934866 497479171 /nfs/dbraw/zinc/47/91/71/497479171.db2.gz WQRJGLUOWDDLCU-KGVIQGDOSA-N 2 1 365.521 3.481 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000261940789 497480064 /nfs/dbraw/zinc/48/00/64/497480064.db2.gz DPWYFJWAKZBMEG-JOCHJYFZSA-N 2 1 351.494 3.463 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271892437 497481242 /nfs/dbraw/zinc/48/12/42/497481242.db2.gz SFVAKBJTRCANNM-ZDUSSCGKSA-N 2 1 366.303 3.018 20 0 FGADMP CC[N@H+]1CC[C@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652733 497490023 /nfs/dbraw/zinc/49/00/23/497490023.db2.gz BUACBRLMAJXVIQ-AVRDEDQJSA-N 2 1 356.558 3.361 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262002256 497490080 /nfs/dbraw/zinc/49/00/80/497490080.db2.gz UEQGYMHRTYKMAP-XJKSGUPXSA-N 2 1 370.278 3.428 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262002256 497490083 /nfs/dbraw/zinc/49/00/83/497490083.db2.gz UEQGYMHRTYKMAP-XJKSGUPXSA-N 2 1 370.278 3.428 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245665617 497494477 /nfs/dbraw/zinc/49/44/77/497494477.db2.gz GOZAPRZHRYXTST-MZADTFQBSA-N 2 1 371.525 3.393 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193840843 497498246 /nfs/dbraw/zinc/49/82/46/497498246.db2.gz ZMCLLGCLWFQMFR-QGZVFWFLSA-N 2 1 352.567 3.203 20 0 FGADMP CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262177507 497519886 /nfs/dbraw/zinc/51/98/86/497519886.db2.gz BGBXUTXPCMTGPR-HKHIRDCPSA-N 2 1 369.553 3.263 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000245733930 497520893 /nfs/dbraw/zinc/52/08/93/497520893.db2.gz WMAZGFCTRXMSET-RDJZCZTQSA-N 2 1 360.527 3.327 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000245733930 497520896 /nfs/dbraw/zinc/52/08/96/497520896.db2.gz WMAZGFCTRXMSET-RDJZCZTQSA-N 2 1 360.527 3.327 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000245923957 497572373 /nfs/dbraw/zinc/57/23/73/497572373.db2.gz HJUBYRLHBXQXTD-KNQAVFIVSA-N 2 1 359.558 3.200 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000276453236 497578208 /nfs/dbraw/zinc/57/82/08/497578208.db2.gz LXJFZBUIBZDMHA-RTWAWAEBSA-N 2 1 366.509 3.358 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245967430 497587620 /nfs/dbraw/zinc/58/76/20/497587620.db2.gz VSXAKJSMKGCLNO-QRVBRYPASA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000262649654 497590968 /nfs/dbraw/zinc/59/09/68/497590968.db2.gz QERQZIWDJLMTIF-WFXMLNOXSA-N 2 1 353.510 3.349 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245990499 497591278 /nfs/dbraw/zinc/59/12/78/497591278.db2.gz WWQMLELBZRMDCL-IRXDYDNUSA-N 2 1 372.488 3.033 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245990499 497591285 /nfs/dbraw/zinc/59/12/85/497591285.db2.gz WWQMLELBZRMDCL-IRXDYDNUSA-N 2 1 372.488 3.033 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262659993 497594404 /nfs/dbraw/zinc/59/44/04/497594404.db2.gz FTAQLOHHQOOXHO-UWJYYQICSA-N 2 1 353.510 3.479 20 0 FGADMP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262670379 497596251 /nfs/dbraw/zinc/59/62/51/497596251.db2.gz NOMLEAVQFRNQKY-CBANROCLSA-N 2 1 369.553 3.324 20 0 FGADMP C[C@@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000246123906 497629746 /nfs/dbraw/zinc/62/97/46/497629746.db2.gz AIWXBHIFGAKDPI-RBUKOAKNSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCCC[C@@H]1C)CC2 ZINC000246183341 497650452 /nfs/dbraw/zinc/65/04/52/497650452.db2.gz LXKTUHOMZWBNJY-ZCNNSNEGSA-N 2 1 364.578 3.298 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000246183341 497650457 /nfs/dbraw/zinc/65/04/57/497650457.db2.gz LXKTUHOMZWBNJY-ZCNNSNEGSA-N 2 1 364.578 3.298 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000246183341 497650460 /nfs/dbraw/zinc/65/04/60/497650460.db2.gz LXKTUHOMZWBNJY-ZCNNSNEGSA-N 2 1 364.578 3.298 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000280148305 497663956 /nfs/dbraw/zinc/66/39/56/497663956.db2.gz FBDLODLPGVZLLG-YADHBBJMSA-N 2 1 368.525 3.038 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000268042117 497666373 /nfs/dbraw/zinc/66/63/73/497666373.db2.gz YNHUBPCPPRHFJE-GIVPXCGWSA-N 2 1 372.557 3.114 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000581158578 505922128 /nfs/dbraw/zinc/92/21/28/505922128.db2.gz XOTIEEDZRDUNLY-UHFFFAOYSA-N 2 1 351.485 3.074 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000191060595 497697130 /nfs/dbraw/zinc/69/71/30/497697130.db2.gz YIJAHYQGFZXTHY-INIZCTEOSA-N 2 1 363.527 3.436 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246348241 497703891 /nfs/dbraw/zinc/70/38/91/497703891.db2.gz CUFUFSOMKZAHBM-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246348241 497703893 /nfs/dbraw/zinc/70/38/93/497703893.db2.gz CUFUFSOMKZAHBM-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272730843 497714136 /nfs/dbraw/zinc/71/41/36/497714136.db2.gz INJUFDADSDQUPT-WIYYLYMNSA-N 2 1 352.478 3.039 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246410174 497723808 /nfs/dbraw/zinc/72/38/08/497723808.db2.gz FFRNQGNKPPUMRO-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246410174 497723814 /nfs/dbraw/zinc/72/38/14/497723814.db2.gz FFRNQGNKPPUMRO-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246410174 497723821 /nfs/dbraw/zinc/72/38/21/497723821.db2.gz FFRNQGNKPPUMRO-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000246410205 497724518 /nfs/dbraw/zinc/72/45/18/497724518.db2.gz KWUVHFNCXDPVRN-RXVVDRJESA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000246410205 497724519 /nfs/dbraw/zinc/72/45/19/497724519.db2.gz KWUVHFNCXDPVRN-RXVVDRJESA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000246410205 497724520 /nfs/dbraw/zinc/72/45/20/497724520.db2.gz KWUVHFNCXDPVRN-RXVVDRJESA-N 2 1 374.573 3.399 20 0 FGADMP C[C@H](c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000277050108 497726792 /nfs/dbraw/zinc/72/67/92/497726792.db2.gz IGJSYQRDJBZVFQ-YLJYHZDGSA-N 2 1 374.529 3.028 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442738 497736513 /nfs/dbraw/zinc/73/65/13/497736513.db2.gz IACXPCXCHFMIQT-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000246462542 497742226 /nfs/dbraw/zinc/74/22/26/497742226.db2.gz NOXZZDLCAVCFOK-TYPHKJRUSA-N 2 1 373.516 3.123 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853207 497745266 /nfs/dbraw/zinc/74/52/66/497745266.db2.gz SWVXKWLQWPZPCV-QUCCMNQESA-N 2 1 369.509 3.208 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000246522984 497762505 /nfs/dbraw/zinc/76/25/05/497762505.db2.gz VBRQDOJYBZFBMD-NSHGMRRFSA-N 2 1 374.573 3.488 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(N(C)C(C)C)nc3)CC2)nc(C)[nH+]1 ZINC000191292422 497771050 /nfs/dbraw/zinc/77/10/50/497771050.db2.gz KJIHNVITSWRUKN-UHFFFAOYSA-N 2 1 368.529 3.092 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246570637 497778063 /nfs/dbraw/zinc/77/80/63/497778063.db2.gz YNLMKFFXGKSTJT-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[C@H](NC(=O)CN1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000246608471 497788439 /nfs/dbraw/zinc/78/84/39/497788439.db2.gz PLCCYSLKOPYQRM-SCWSEQNSSA-N 2 1 372.488 3.419 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000246645985 497794024 /nfs/dbraw/zinc/79/40/24/497794024.db2.gz IIYULRSHXGQYSZ-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000246645985 497794028 /nfs/dbraw/zinc/79/40/28/497794028.db2.gz IIYULRSHXGQYSZ-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000246645985 497794031 /nfs/dbraw/zinc/79/40/31/497794031.db2.gz IIYULRSHXGQYSZ-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000246645985 497794034 /nfs/dbraw/zinc/79/40/34/497794034.db2.gz IIYULRSHXGQYSZ-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246704590 497801949 /nfs/dbraw/zinc/80/19/49/497801949.db2.gz RRHSYSAYOPYLRA-NHCUHLMSSA-N 2 1 355.526 3.128 20 0 FGADMP COc1cc(-c2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cs2)ccc1O ZINC000246752317 497808015 /nfs/dbraw/zinc/80/80/15/497808015.db2.gz HHANRZRVIIBMNZ-DOTOQJQBSA-N 2 1 373.522 3.440 20 0 FGADMP O=C1[C@H](N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000246925734 497820636 /nfs/dbraw/zinc/82/06/36/497820636.db2.gz SURWZHRVAZMTPL-CWFSZBLJSA-N 2 1 373.928 3.394 20 0 FGADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311392 497892492 /nfs/dbraw/zinc/89/24/92/497892492.db2.gz BLLQXOKITLVMMI-LAUBAEHRSA-N 2 1 369.534 3.440 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC(c2ncc[nH]2)CC1 ZINC000329857046 497930257 /nfs/dbraw/zinc/93/02/57/497930257.db2.gz YTZGEOWZIQIFQN-MRXNPFEDSA-N 2 1 358.511 3.187 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000578486163 505951124 /nfs/dbraw/zinc/95/11/24/505951124.db2.gz SYJAEWOBNGOJAL-KRWDZBQOSA-N 2 1 355.486 3.176 20 0 FGADMP C[C@@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292281347 497952272 /nfs/dbraw/zinc/95/22/72/497952272.db2.gz LMRQTBDXHCLHKK-OFNKIYASSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@@H]1CN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292281347 497952279 /nfs/dbraw/zinc/95/22/79/497952279.db2.gz LMRQTBDXHCLHKK-OFNKIYASSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@@H]1CN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292281347 497952284 /nfs/dbraw/zinc/95/22/84/497952284.db2.gz LMRQTBDXHCLHKK-OFNKIYASSA-N 2 1 371.569 3.084 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000296247531 497969516 /nfs/dbraw/zinc/96/95/16/497969516.db2.gz HEGXIHMDEIFCIZ-UHFFFAOYSA-N 2 1 372.557 3.343 20 0 FGADMP Brc1cnn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000364591457 498039871 /nfs/dbraw/zinc/03/98/71/498039871.db2.gz NDFHDSNRDOXFEA-UHFFFAOYSA-N 2 1 355.324 3.159 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000572451960 505972010 /nfs/dbraw/zinc/97/20/10/505972010.db2.gz PRENYXAHFOVMCX-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000572451960 505972012 /nfs/dbraw/zinc/97/20/12/505972012.db2.gz PRENYXAHFOVMCX-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000572451960 505972015 /nfs/dbraw/zinc/97/20/15/505972015.db2.gz PRENYXAHFOVMCX-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000289284289 498090468 /nfs/dbraw/zinc/09/04/68/498090468.db2.gz OXHHPRQVCHTMEH-HNNXBMFYSA-N 2 1 363.527 3.207 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483602 505979710 /nfs/dbraw/zinc/97/97/10/505979710.db2.gz HJHSAIPQGXFNER-BULFRSBZSA-N 2 1 365.521 3.339 20 0 FGADMP O=C1O[C@@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562899 498130279 /nfs/dbraw/zinc/13/02/79/498130279.db2.gz NGVDMVJPGYPIRD-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562899 498130290 /nfs/dbraw/zinc/13/02/90/498130290.db2.gz NGVDMVJPGYPIRD-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562899 498130272 /nfs/dbraw/zinc/13/02/72/498130272.db2.gz NGVDMVJPGYPIRD-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562899 498130284 /nfs/dbraw/zinc/13/02/84/498130284.db2.gz NGVDMVJPGYPIRD-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285614682 498148052 /nfs/dbraw/zinc/14/80/52/498148052.db2.gz QGIKGWHIHRVNKA-QHCPKHFHSA-N 2 1 363.505 3.144 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285614682 498148065 /nfs/dbraw/zinc/14/80/65/498148065.db2.gz QGIKGWHIHRVNKA-QHCPKHFHSA-N 2 1 363.505 3.144 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285614682 498148044 /nfs/dbraw/zinc/14/80/44/498148044.db2.gz QGIKGWHIHRVNKA-QHCPKHFHSA-N 2 1 363.505 3.144 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285614682 498148061 /nfs/dbraw/zinc/14/80/61/498148061.db2.gz QGIKGWHIHRVNKA-QHCPKHFHSA-N 2 1 363.505 3.144 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CCC(O)(c3cccc(Cl)c3)CC2)CCOCC1 ZINC000364887288 498192160 /nfs/dbraw/zinc/19/21/60/498192160.db2.gz WZJQNQGNTQCXPY-UHFFFAOYSA-N 2 1 366.933 3.171 20 0 FGADMP Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cnn1C(C)(C)C ZINC000364919245 498209082 /nfs/dbraw/zinc/20/90/82/498209082.db2.gz VAOTUVWZGYBZDG-ZTTFOMCMSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cnn1C(C)(C)C ZINC000364919245 498209086 /nfs/dbraw/zinc/20/90/86/498209086.db2.gz VAOTUVWZGYBZDG-ZTTFOMCMSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cnn1C(C)(C)C ZINC000364919245 498209090 /nfs/dbraw/zinc/20/90/90/498209090.db2.gz VAOTUVWZGYBZDG-ZTTFOMCMSA-N 2 1 362.562 3.487 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(OC)c1OCC(F)F ZINC000289628209 498223476 /nfs/dbraw/zinc/22/34/76/498223476.db2.gz GDNVWUYIROXASS-UHFFFAOYSA-N 2 1 372.456 3.310 20 0 FGADMP COc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OCc1ccncc1 ZINC000359905196 498227764 /nfs/dbraw/zinc/22/77/64/498227764.db2.gz VEHPRQMHCNPWFH-UXHICEINSA-N 2 1 367.493 3.195 20 0 FGADMP CCOC(=O)c1cnc2ccccc2c1N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301699112 498229315 /nfs/dbraw/zinc/22/93/15/498229315.db2.gz DQXRLGYXJVNPMD-HNAYVOBHSA-N 2 1 353.466 3.332 20 0 FGADMP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000293014662 498234563 /nfs/dbraw/zinc/23/45/63/498234563.db2.gz OIVBZKSJRLZOGI-UHFFFAOYSA-N 2 1 358.935 3.099 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000296915484 498250406 /nfs/dbraw/zinc/25/04/06/498250406.db2.gz WMSMEDNKZVBMNH-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572620058 506013388 /nfs/dbraw/zinc/01/33/88/506013388.db2.gz URXOAHHIMZUOEL-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572620058 506013392 /nfs/dbraw/zinc/01/33/92/506013392.db2.gz URXOAHHIMZUOEL-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000365157290 498326811 /nfs/dbraw/zinc/32/68/11/498326811.db2.gz REUKCDUYBUOGHD-YLJYHZDGSA-N 2 1 374.554 3.008 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000578725710 506006091 /nfs/dbraw/zinc/00/60/91/506006091.db2.gz QUQUNOBIHXVNQA-BFIYSBSQSA-N 2 1 355.526 3.063 20 0 FGADMP C[C@H](c1nnnn1C1CC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365273847 498382157 /nfs/dbraw/zinc/38/21/57/498382157.db2.gz KXOPVZFMHIWLAJ-QGZVFWFLSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@H](c1nnnn1C1CC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365273847 498382162 /nfs/dbraw/zinc/38/21/62/498382162.db2.gz KXOPVZFMHIWLAJ-QGZVFWFLSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538346 498408162 /nfs/dbraw/zinc/40/81/62/498408162.db2.gz FSAZWTRTVVNBBE-QFBILLFUSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538346 498408168 /nfs/dbraw/zinc/40/81/68/498408168.db2.gz FSAZWTRTVVNBBE-QFBILLFUSA-N 2 1 365.477 3.018 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1O ZINC000290049843 498408374 /nfs/dbraw/zinc/40/83/74/498408374.db2.gz BXSJWTQXNJZMIK-AWEZNQCLSA-N 2 1 356.470 3.127 20 0 FGADMP NC(=O)c1c[nH+]ccc1N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000302156180 498420009 /nfs/dbraw/zinc/42/00/09/498420009.db2.gz NOAWFNUZZMVBJU-UHFFFAOYSA-N 2 1 364.493 3.206 20 0 FGADMP NC(=O)c1c[nH+]ccc1N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000302156180 498420015 /nfs/dbraw/zinc/42/00/15/498420015.db2.gz NOAWFNUZZMVBJU-UHFFFAOYSA-N 2 1 364.493 3.206 20 0 FGADMP C[C@H]1CC[C@@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000361812636 498435482 /nfs/dbraw/zinc/43/54/82/498435482.db2.gz KPOBWZSFKTUNDA-AZUAARDMSA-N 2 1 363.590 3.467 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1OC ZINC000575923530 506033718 /nfs/dbraw/zinc/03/37/18/506033718.db2.gz UNNROEHVODLTNT-YUTCNCBUSA-N 2 1 369.303 3.026 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Br)c1OC ZINC000575923530 506033720 /nfs/dbraw/zinc/03/37/20/506033720.db2.gz UNNROEHVODLTNT-YUTCNCBUSA-N 2 1 369.303 3.026 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H](NC[C@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900789 498438495 /nfs/dbraw/zinc/43/84/95/498438495.db2.gz RIUCHQKBVGTOBT-XLIONFOSSA-N 2 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900789 498438502 /nfs/dbraw/zinc/43/85/02/498438502.db2.gz RIUCHQKBVGTOBT-XLIONFOSSA-N 3 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900789 498438509 /nfs/dbraw/zinc/43/85/09/498438509.db2.gz RIUCHQKBVGTOBT-XLIONFOSSA-N 3 1 355.526 3.049 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)cc1)C(C)C ZINC000362020383 498454659 /nfs/dbraw/zinc/45/46/59/498454659.db2.gz HAMWRUMMZKBFPQ-UHFFFAOYSA-N 2 1 352.482 3.210 20 0 FGADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(C(F)(F)F)ccn1 ZINC000302479448 498490880 /nfs/dbraw/zinc/49/08/80/498490880.db2.gz WANBBWJFIJBWAX-GOSISDBHSA-N 2 1 365.399 3.174 20 0 FGADMP Cc1cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)oc1C ZINC000282390672 498492226 /nfs/dbraw/zinc/49/22/26/498492226.db2.gz XLBITBNXJZNUQI-UZLBHIALSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)oc1C ZINC000282390672 498492234 /nfs/dbraw/zinc/49/22/34/498492234.db2.gz XLBITBNXJZNUQI-UZLBHIALSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)oc1C ZINC000282390672 498492242 /nfs/dbraw/zinc/49/22/42/498492242.db2.gz XLBITBNXJZNUQI-UZLBHIALSA-N 2 1 369.509 3.445 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3CCSC3)CC2)c1C ZINC000290308723 498504028 /nfs/dbraw/zinc/50/40/28/498504028.db2.gz BYTPOOXBUGRVOW-QGZVFWFLSA-N 2 1 363.571 3.356 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3CCSC3)CC2)c1C ZINC000290308723 498504031 /nfs/dbraw/zinc/50/40/31/498504031.db2.gz BYTPOOXBUGRVOW-QGZVFWFLSA-N 2 1 363.571 3.356 20 0 FGADMP c1c(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000575970675 506045884 /nfs/dbraw/zinc/04/58/84/506045884.db2.gz ISCSQODNYZKCDH-OAQYLSRUSA-N 2 1 362.477 3.007 20 0 FGADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982686 506048570 /nfs/dbraw/zinc/04/85/70/506048570.db2.gz WTPHULGTZYKEEA-LRSLUSHPSA-N 2 1 366.505 3.212 20 0 FGADMP CC(C)(C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000569922666 506048864 /nfs/dbraw/zinc/04/88/64/506048864.db2.gz ADAQHQFPFIOXNV-LJQANCHMSA-N 2 1 371.550 3.161 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000578904661 506049243 /nfs/dbraw/zinc/04/92/43/506049243.db2.gz QFLOIWJQFDJNKZ-OAQYLSRUSA-N 2 1 373.516 3.126 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703709 498541065 /nfs/dbraw/zinc/54/10/65/498541065.db2.gz RROONGSNKBSZOW-UZLBHIALSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703709 498541072 /nfs/dbraw/zinc/54/10/72/498541072.db2.gz RROONGSNKBSZOW-UZLBHIALSA-N 2 1 372.944 3.346 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000576001497 506053170 /nfs/dbraw/zinc/05/31/70/506053170.db2.gz ACRBLGSFHBDWJC-UHFFFAOYSA-N 2 1 371.319 3.432 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282567052 498561210 /nfs/dbraw/zinc/56/12/10/498561210.db2.gz USLGSAUXACVGOC-MRXNPFEDSA-N 2 1 372.431 3.353 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282567052 498561217 /nfs/dbraw/zinc/56/12/17/498561217.db2.gz USLGSAUXACVGOC-MRXNPFEDSA-N 2 1 372.431 3.353 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000363061101 498629815 /nfs/dbraw/zinc/62/98/15/498629815.db2.gz HZVDJVALEMTINQ-IBGZPJMESA-N 2 1 373.545 3.055 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccccn1 ZINC000572841096 506065908 /nfs/dbraw/zinc/06/59/08/506065908.db2.gz ATFIYZFCTIJQQO-LJQANCHMSA-N 2 1 364.493 3.197 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccccn1 ZINC000572841096 506065911 /nfs/dbraw/zinc/06/59/11/506065911.db2.gz ATFIYZFCTIJQQO-LJQANCHMSA-N 2 1 364.493 3.197 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4c3cccc4C)CC2)CC1 ZINC000572853832 506068480 /nfs/dbraw/zinc/06/84/80/506068480.db2.gz PJUQLTPFCFYLFQ-QFIPXVFZSA-N 2 1 369.553 3.295 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[N@@H+](C)C1CC1 ZINC000303267932 498660007 /nfs/dbraw/zinc/66/00/07/498660007.db2.gz IZGHFCHAFZHGQS-SFHVURJKSA-N 2 1 372.557 3.200 20 0 FGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCCC1 ZINC000363158013 498678986 /nfs/dbraw/zinc/67/89/86/498678986.db2.gz RHIIINRKGCXFRI-XUVXKRRUSA-N 2 1 352.563 3.452 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879662 498684620 /nfs/dbraw/zinc/68/46/20/498684620.db2.gz KIPWNAQXKCNVJI-FCHUYYIVSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2ccnc2c1 ZINC000290844266 498697677 /nfs/dbraw/zinc/69/76/77/498697677.db2.gz YXBVFWYDRHSAHF-GOSISDBHSA-N 2 1 363.465 3.320 20 0 FGADMP CCOc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc(Cl)c1O ZINC000298275207 498718092 /nfs/dbraw/zinc/71/80/92/498718092.db2.gz GNSRPDZXALUJDT-CQSZACIVSA-N 2 1 368.905 3.035 20 0 FGADMP Brc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298287050 498721282 /nfs/dbraw/zinc/72/12/82/498721282.db2.gz HCDBKRYGAWGIPR-INIZCTEOSA-N 2 1 364.331 3.244 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000363239955 498722162 /nfs/dbraw/zinc/72/21/62/498722162.db2.gz FYIGPLPZRNKZQC-GOSISDBHSA-N 2 1 361.534 3.226 20 0 FGADMP Fc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000581895813 506084878 /nfs/dbraw/zinc/08/48/78/506084878.db2.gz QJGYTCVMQIUCCK-NRFANRHFSA-N 2 1 354.469 3.426 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312112563 498758495 /nfs/dbraw/zinc/75/84/95/498758495.db2.gz NBVLUUDFWBNLHU-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312112563 498758501 /nfs/dbraw/zinc/75/85/01/498758501.db2.gz NBVLUUDFWBNLHU-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312112563 498758511 /nfs/dbraw/zinc/75/85/11/498758511.db2.gz NBVLUUDFWBNLHU-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312112563 498758516 /nfs/dbraw/zinc/75/85/16/498758516.db2.gz NBVLUUDFWBNLHU-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@@H](O)c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000363347095 498773258 /nfs/dbraw/zinc/77/32/58/498773258.db2.gz COTKTKQKEBXFNG-LJQANCHMSA-N 2 1 374.916 3.381 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H](O)c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000363347095 498773266 /nfs/dbraw/zinc/77/32/66/498773266.db2.gz COTKTKQKEBXFNG-LJQANCHMSA-N 2 1 374.916 3.381 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000316938743 498790900 /nfs/dbraw/zinc/79/09/00/498790900.db2.gz GQXJCRFXVWVFOB-TZMCWYRMSA-N 2 1 369.303 3.183 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000316938743 498790906 /nfs/dbraw/zinc/79/09/06/498790906.db2.gz GQXJCRFXVWVFOB-TZMCWYRMSA-N 2 1 369.303 3.183 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000581934562 506093994 /nfs/dbraw/zinc/09/39/94/506093994.db2.gz YFEQWKLPYWFEJX-MRXNPFEDSA-N 2 1 365.905 3.060 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366229284 498833071 /nfs/dbraw/zinc/83/30/71/498833071.db2.gz ICGWLACPSABELZ-IBGZPJMESA-N 2 1 352.482 3.348 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000366234043 498834807 /nfs/dbraw/zinc/83/48/07/498834807.db2.gz HYYIOQLUWXQGRL-SFHVURJKSA-N 2 1 369.557 3.338 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000363543205 498870399 /nfs/dbraw/zinc/87/03/99/498870399.db2.gz FCFNTIHMONCVLA-DBVUQKKJSA-N 2 1 354.498 3.217 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576225604 506107096 /nfs/dbraw/zinc/10/70/96/506107096.db2.gz XZNYWRGEJJYJRT-NHCUHLMSSA-N 2 1 357.542 3.380 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295020761 498881434 /nfs/dbraw/zinc/88/14/34/498881434.db2.gz NEUWJLZGPYQCFW-MIGBEJBISA-N 2 1 363.933 3.292 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000579109525 506096334 /nfs/dbraw/zinc/09/63/34/506096334.db2.gz IBLYLCFOXRBAKH-UKRRQHHQSA-N 2 1 368.319 3.288 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570172899 506108056 /nfs/dbraw/zinc/10/80/56/506108056.db2.gz ANKBYRUZUMDVKE-OAQYLSRUSA-N 2 1 357.542 3.281 20 0 FGADMP COc1cccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881273 498905701 /nfs/dbraw/zinc/90/57/01/498905701.db2.gz KESXZMJLZNDWEA-IAGOWNOFSA-N 2 1 359.514 3.266 20 0 FGADMP [NH3+]C[C@@H](NC(=O)N1CCC(c2cnc[nH]2)CC1)c1ccc2ccccc2c1 ZINC000570188370 506110528 /nfs/dbraw/zinc/11/05/28/506110528.db2.gz GPAAIVMDLDFGMY-LJQANCHMSA-N 2 1 363.465 3.152 20 0 FGADMP CC(C)[C@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CCC[N@H+]3C)CC2)ncn1 ZINC000333217460 498940875 /nfs/dbraw/zinc/94/08/75/498940875.db2.gz QXNIGIARTYATRN-FXAWDEMLSA-N 2 1 373.545 3.157 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2ccccc2S1 ZINC000579231522 506125444 /nfs/dbraw/zinc/12/54/44/506125444.db2.gz JEMXWHIKLGANLM-AEFFLSMTSA-N 2 1 373.566 3.225 20 0 FGADMP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000291650504 499023520 /nfs/dbraw/zinc/02/35/20/499023520.db2.gz KPHSUOOVWZZZKW-FQEVSTJZSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(C)(C)n1cncn1 ZINC000284033756 499034824 /nfs/dbraw/zinc/03/48/24/499034824.db2.gz JLFVAPGMLAMRSL-KRWDZBQOSA-N 2 1 367.497 3.417 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc2c[nH+]cn2c1 ZINC000284098430 499048021 /nfs/dbraw/zinc/04/80/21/499048021.db2.gz XVZTXMFDDZNDEL-UHFFFAOYSA-N 2 1 352.463 3.135 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000570269617 506129381 /nfs/dbraw/zinc/12/93/81/506129381.db2.gz UEUVRKRAJSUPJD-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000579254405 506130151 /nfs/dbraw/zinc/13/01/51/506130151.db2.gz IRXIFDQKMMWMRS-SFHVURJKSA-N 2 1 351.922 3.274 20 0 FGADMP Clc1ccc(-c2cc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)on2)cc1 ZINC000333852204 499088045 /nfs/dbraw/zinc/08/80/45/499088045.db2.gz NVKAPHRAAIICNW-MJGOQNOKSA-N 2 1 373.884 3.195 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC4(C3)CCCCC4)CC2)CC1 ZINC000579266895 506132377 /nfs/dbraw/zinc/13/23/77/506132377.db2.gz UDZPGCBPDIWMRY-UHFFFAOYSA-N 2 1 361.574 3.366 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198352 499160111 /nfs/dbraw/zinc/16/01/11/499160111.db2.gz AUPOMZMGMFCADN-MRXNPFEDSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198352 499160112 /nfs/dbraw/zinc/16/01/12/499160112.db2.gz AUPOMZMGMFCADN-MRXNPFEDSA-N 2 1 357.498 3.024 20 0 FGADMP COc1cc2c(c(OC)c1OC)CC[N@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000367303480 499177146 /nfs/dbraw/zinc/17/71/46/499177146.db2.gz UCSQQMSBGRLCMJ-UHFFFAOYSA-N 2 1 373.497 3.098 20 0 FGADMP COc1cc2c(c(OC)c1OC)CC[N@@H+](CCCCn1cc[nH+]c1C)CC2 ZINC000367303480 499177148 /nfs/dbraw/zinc/17/71/48/499177148.db2.gz UCSQQMSBGRLCMJ-UHFFFAOYSA-N 2 1 373.497 3.098 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310758 499178642 /nfs/dbraw/zinc/17/86/42/499178642.db2.gz UYPKAJDWMRDTAD-LIRRHRJNSA-N 2 1 350.453 3.195 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867400 499186806 /nfs/dbraw/zinc/18/68/06/499186806.db2.gz COXFWRLDPMTLJU-SFHLNBCPSA-N 2 1 351.579 3.120 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000370298244 499207147 /nfs/dbraw/zinc/20/71/47/499207147.db2.gz DJCQWADJZPJXIH-DLBZAZTESA-N 2 1 363.550 3.157 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000370303956 499207754 /nfs/dbraw/zinc/20/77/54/499207754.db2.gz VZVGKBVXTSOUEV-DLBZAZTESA-N 2 1 363.550 3.329 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000367681872 499224406 /nfs/dbraw/zinc/22/44/06/499224406.db2.gz DHQOXUAHWKOVOU-SFHVURJKSA-N 2 1 354.498 3.249 20 0 FGADMP C[N@@H+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367700200 499225974 /nfs/dbraw/zinc/22/59/74/499225974.db2.gz BMUBNHBFXASZBZ-YLPFRIKTSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367700200 499225976 /nfs/dbraw/zinc/22/59/76/499225976.db2.gz BMUBNHBFXASZBZ-YLPFRIKTSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367700200 499225978 /nfs/dbraw/zinc/22/59/78/499225978.db2.gz BMUBNHBFXASZBZ-YLPFRIKTSA-N 2 1 351.535 3.191 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1CC(C)C ZINC000367751727 499230810 /nfs/dbraw/zinc/23/08/10/499230810.db2.gz GEFNXJKMGKHEHM-GVDBMIGSSA-N 2 1 365.591 3.051 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCN(c2ccccn2)CC1 ZINC000367848997 499237900 /nfs/dbraw/zinc/23/79/00/499237900.db2.gz NPTVZGPHHRIVRP-IBGZPJMESA-N 2 1 359.901 3.239 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705834 499246459 /nfs/dbraw/zinc/24/64/59/499246459.db2.gz JOFWWFBXPGPUGM-XXBNENTESA-N 2 1 364.537 3.206 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026068 499256734 /nfs/dbraw/zinc/25/67/34/499256734.db2.gz ZVLZFUIPBGNNQK-FBEWHJACSA-N 2 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026068 499256735 /nfs/dbraw/zinc/25/67/35/499256735.db2.gz ZVLZFUIPBGNNQK-FBEWHJACSA-N 3 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026068 499256736 /nfs/dbraw/zinc/25/67/36/499256736.db2.gz ZVLZFUIPBGNNQK-FBEWHJACSA-N 3 1 368.525 3.425 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc4cc[nH]c43)CC2)CC1 ZINC000371095722 499288086 /nfs/dbraw/zinc/28/80/86/499288086.db2.gz XFSSUCYRLRZJKA-UHFFFAOYSA-N 2 1 368.525 3.094 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@@H+]2C)cc1 ZINC000368492515 499301528 /nfs/dbraw/zinc/30/15/28/499301528.db2.gz CVGUQNUYDHAPFB-FYYGKBSSSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@H+]2C)cc1 ZINC000368492515 499301529 /nfs/dbraw/zinc/30/15/29/499301529.db2.gz CVGUQNUYDHAPFB-FYYGKBSSSA-N 2 1 373.541 3.115 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000371332402 499311540 /nfs/dbraw/zinc/31/15/40/499311540.db2.gz PBPSHBSUUBDOCN-OAHLLOKOSA-N 2 1 373.513 3.336 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000371332402 499311542 /nfs/dbraw/zinc/31/15/42/499311542.db2.gz PBPSHBSUUBDOCN-OAHLLOKOSA-N 2 1 373.513 3.336 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCC2CC[NH2+]CC2)cc1F ZINC000371343205 499313199 /nfs/dbraw/zinc/31/31/99/499313199.db2.gz FWZVOCAUVZKMQH-AWEZNQCLSA-N 2 1 358.461 3.277 20 0 FGADMP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371349387 499313815 /nfs/dbraw/zinc/31/38/15/499313815.db2.gz IASWBAJQXVJIRL-HNAYVOBHSA-N 2 1 358.917 3.350 20 0 FGADMP Cc1nc(CN2CCC3(CC[N@@H+](Cc4nc(C)c(C)o4)C3)CC2)oc1C ZINC000368764345 499329489 /nfs/dbraw/zinc/32/94/89/499329489.db2.gz ZLNBPOIADXCTIR-UHFFFAOYSA-N 2 1 358.486 3.384 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470433 499331106 /nfs/dbraw/zinc/33/11/06/499331106.db2.gz LKRQXBQHSUVBSQ-GUDVDZBRSA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470433 499331108 /nfs/dbraw/zinc/33/11/08/499331108.db2.gz LKRQXBQHSUVBSQ-GUDVDZBRSA-N 2 1 374.916 3.414 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000371489848 499333534 /nfs/dbraw/zinc/33/35/34/499333534.db2.gz ALLGOWCQDLTOAK-QWHCGFSZSA-N 2 1 366.387 3.142 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000371489847 499333602 /nfs/dbraw/zinc/33/36/02/499333602.db2.gz ALLGOWCQDLTOAK-OLZOCXBDSA-N 2 1 366.387 3.142 20 0 FGADMP CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000371489965 499333708 /nfs/dbraw/zinc/33/37/08/499333708.db2.gz BMCCYFGVZQVMLH-NEWSRXKRSA-N 2 1 354.498 3.142 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1ccccc1 ZINC000371519747 499337407 /nfs/dbraw/zinc/33/74/07/499337407.db2.gz NBHJNOXLVSZWBX-IEBWSBKVSA-N 2 1 356.539 3.395 20 0 FGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cs1 ZINC000372066042 499395064 /nfs/dbraw/zinc/39/50/64/499395064.db2.gz KVIYBZFNKJZNOW-BPQIPLTHSA-N 2 1 351.560 3.288 20 0 FGADMP C[C@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372112761 499400390 /nfs/dbraw/zinc/40/03/90/499400390.db2.gz JUNLQOGBKFLROT-BFWZDYSYSA-N 2 1 361.496 3.313 20 0 FGADMP C[C@@H]1CCC[C@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372133133 499402024 /nfs/dbraw/zinc/40/20/24/499402024.db2.gz CKINIMFRYCZIDB-QUCCMNQESA-N 2 1 363.590 3.467 20 0 FGADMP CO[C@@H](CN1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000570341843 506145474 /nfs/dbraw/zinc/14/54/74/506145474.db2.gz SEEXHYCCXLAZOO-KXBFYZLASA-N 2 1 352.906 3.213 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372234037 499411551 /nfs/dbraw/zinc/41/15/51/499411551.db2.gz RLLRKHIHLLVKBI-GUYCJALGSA-N 2 1 369.431 3.181 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372234037 499411552 /nfs/dbraw/zinc/41/15/52/499411552.db2.gz RLLRKHIHLLVKBI-GUYCJALGSA-N 2 1 369.431 3.181 20 0 FGADMP C(=C/C[N@H+]1CC[C@@H](C2CCOCC2)C1)\C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000372270791 499415637 /nfs/dbraw/zinc/41/56/37/499415637.db2.gz UQCASXRPMZKGHP-HSMZSTHASA-N 2 1 362.558 3.040 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000372411752 499431678 /nfs/dbraw/zinc/43/16/78/499431678.db2.gz JILMMXJKMQOHRX-MOXWOTFGSA-N 2 1 357.542 3.039 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000369744588 499440021 /nfs/dbraw/zinc/44/00/21/499440021.db2.gz GYJNBMFZVMPIIP-NRFANRHFSA-N 2 1 356.514 3.153 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000373157251 499454277 /nfs/dbraw/zinc/45/42/77/499454277.db2.gz ZJERWQSOLDAMKE-ATZDWAIDSA-N 2 1 368.468 3.310 20 0 FGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000378375236 499508772 /nfs/dbraw/zinc/50/87/72/499508772.db2.gz XTSYVMAOMUKPEA-QWFCFKBJSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000378375236 499508774 /nfs/dbraw/zinc/50/87/74/499508774.db2.gz XTSYVMAOMUKPEA-QWFCFKBJSA-N 2 1 362.514 3.168 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000375593651 499536081 /nfs/dbraw/zinc/53/60/81/499536081.db2.gz YYOKFOAERJTNSP-YFXJRYMSSA-N 2 1 365.521 3.464 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000382732918 499546207 /nfs/dbraw/zinc/54/62/07/499546207.db2.gz DAHIGKXNTKNVRO-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000382766712 499546248 /nfs/dbraw/zinc/54/62/48/499546248.db2.gz VYQZYAKNTYFJFW-DXIQSLLYSA-N 2 1 365.521 3.446 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000388516675 499551196 /nfs/dbraw/zinc/55/11/96/499551196.db2.gz QKTKZUSTZZPJDO-DFQSSKMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000388516675 499551198 /nfs/dbraw/zinc/55/11/98/499551198.db2.gz QKTKZUSTZZPJDO-DFQSSKMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000388516675 499551199 /nfs/dbraw/zinc/55/11/99/499551199.db2.gz QKTKZUSTZZPJDO-DFQSSKMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000388516675 499551201 /nfs/dbraw/zinc/55/12/01/499551201.db2.gz QKTKZUSTZZPJDO-DFQSSKMNSA-N 2 1 357.542 3.134 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000579334915 506149511 /nfs/dbraw/zinc/14/95/11/506149511.db2.gz BAVFNXJUCSXUGF-MOPGFXCFSA-N 2 1 372.538 3.027 20 0 FGADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c2ncccc12 ZINC000389683850 499552945 /nfs/dbraw/zinc/55/29/45/499552945.db2.gz IBDULKPHPJADGS-OKILXGFUSA-N 2 1 360.299 3.429 20 0 FGADMP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000375802020 499557155 /nfs/dbraw/zinc/55/71/55/499557155.db2.gz PVLHPFBZZGTOHO-YPAWHYETSA-N 2 1 356.558 3.184 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404307299 499570011 /nfs/dbraw/zinc/57/00/11/499570011.db2.gz CPOSYZNUBBZDAI-IYWMVGAKSA-N 2 1 357.542 3.276 20 0 FGADMP COC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000375946662 499570450 /nfs/dbraw/zinc/57/04/50/499570450.db2.gz IIMGFAAEGMMOTD-OAQYLSRUSA-N 2 1 358.526 3.170 20 0 FGADMP COC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000375946662 499570451 /nfs/dbraw/zinc/57/04/51/499570451.db2.gz IIMGFAAEGMMOTD-OAQYLSRUSA-N 2 1 358.526 3.170 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000408132480 499577566 /nfs/dbraw/zinc/57/75/66/499577566.db2.gz KAWBFBRNIUTTFE-KZNAEPCWSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000410349820 499656942 /nfs/dbraw/zinc/65/69/42/499656942.db2.gz HGMMNBNICAHIKQ-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112658 499663252 /nfs/dbraw/zinc/66/32/52/499663252.db2.gz LIXYTFKBVWQVGP-IBGZPJMESA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000377643285 499714569 /nfs/dbraw/zinc/71/45/69/499714569.db2.gz GETONEVCLXBEBQ-INIZCTEOSA-N 2 1 373.522 3.147 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C1CCN(c2ccccn2)CC1 ZINC000377643285 499714570 /nfs/dbraw/zinc/71/45/70/499714570.db2.gz GETONEVCLXBEBQ-INIZCTEOSA-N 2 1 373.522 3.147 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)cn1C ZINC000377659075 499716434 /nfs/dbraw/zinc/71/64/34/499716434.db2.gz ZJFJDELMVLMAGJ-INIZCTEOSA-N 2 1 355.482 3.127 20 0 FGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377701401 499722077 /nfs/dbraw/zinc/72/20/77/499722077.db2.gz OZFUCHAPPFYNIA-OAQYLSRUSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377701401 499722078 /nfs/dbraw/zinc/72/20/78/499722078.db2.gz OZFUCHAPPFYNIA-OAQYLSRUSA-N 2 1 352.526 3.145 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757843 499729179 /nfs/dbraw/zinc/72/91/79/499729179.db2.gz GFFXPUKUASDQKP-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757843 499729181 /nfs/dbraw/zinc/72/91/81/499729181.db2.gz GFFXPUKUASDQKP-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757843 499729183 /nfs/dbraw/zinc/72/91/83/499729183.db2.gz GFFXPUKUASDQKP-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758677 499729873 /nfs/dbraw/zinc/72/98/73/499729873.db2.gz CXQXZJCIHZOKDM-KNQAVFIVSA-N 2 1 361.493 3.265 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000377769727 499731087 /nfs/dbraw/zinc/73/10/87/499731087.db2.gz CKUDINDUJWMMPB-QESAQDPVSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769727 499731088 /nfs/dbraw/zinc/73/10/88/499731088.db2.gz CKUDINDUJWMMPB-QESAQDPVSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769727 499731089 /nfs/dbraw/zinc/73/10/89/499731089.db2.gz CKUDINDUJWMMPB-QESAQDPVSA-N 2 1 369.553 3.372 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000377769874 499731197 /nfs/dbraw/zinc/73/11/97/499731197.db2.gz OUGSQCFCMQSCIX-FQEVSTJZSA-N 2 1 366.509 3.131 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)CC1 ZINC000377769874 499731199 /nfs/dbraw/zinc/73/11/99/499731199.db2.gz OUGSQCFCMQSCIX-FQEVSTJZSA-N 2 1 366.509 3.131 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC[NH+](C)CC1 ZINC000411413083 499737113 /nfs/dbraw/zinc/73/71/13/499737113.db2.gz YQUCVPQSYBRTAR-UHFFFAOYSA-N 3 1 372.601 3.130 20 0 FGADMP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411413083 499737115 /nfs/dbraw/zinc/73/71/15/499737115.db2.gz YQUCVPQSYBRTAR-UHFFFAOYSA-N 2 1 372.601 3.130 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411413083 499737116 /nfs/dbraw/zinc/73/71/16/499737116.db2.gz YQUCVPQSYBRTAR-UHFFFAOYSA-N 2 1 372.601 3.130 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000411446721 499741504 /nfs/dbraw/zinc/74/15/04/499741504.db2.gz PRGQWEFEKJSZQD-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000411446721 499741506 /nfs/dbraw/zinc/74/15/06/499741506.db2.gz PRGQWEFEKJSZQD-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000411448764 499741791 /nfs/dbraw/zinc/74/17/91/499741791.db2.gz FKUZRMUTWCWMMZ-KRWDZBQOSA-N 2 1 371.447 3.259 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860303 499742824 /nfs/dbraw/zinc/74/28/24/499742824.db2.gz MGAAEQAGRGTPOH-DLBZAZTESA-N 2 1 352.482 3.265 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860303 499742826 /nfs/dbraw/zinc/74/28/26/499742826.db2.gz MGAAEQAGRGTPOH-DLBZAZTESA-N 2 1 352.482 3.265 20 0 FGADMP Cc1nccc(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000411525974 499751535 /nfs/dbraw/zinc/75/15/35/499751535.db2.gz LKRZJHPVINMKQD-UHFFFAOYSA-N 2 1 365.525 3.093 20 0 FGADMP C[C@@H]1CN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)(C)C1 ZINC000377971405 499752227 /nfs/dbraw/zinc/75/22/27/499752227.db2.gz YCOPIMUREVATEM-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP COc1ccc(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000378002060 499754436 /nfs/dbraw/zinc/75/44/36/499754436.db2.gz LGMXLOQIIGBYCC-UHFFFAOYSA-N 2 1 373.585 3.366 20 0 FGADMP COc1ccc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000378002060 499754437 /nfs/dbraw/zinc/75/44/37/499754437.db2.gz LGMXLOQIIGBYCC-UHFFFAOYSA-N 3 1 373.585 3.366 20 0 FGADMP COc1ccc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000378002060 499754438 /nfs/dbraw/zinc/75/44/38/499754438.db2.gz LGMXLOQIIGBYCC-UHFFFAOYSA-N 3 1 373.585 3.366 20 0 FGADMP CN1CCO[C@H]([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199371 499768093 /nfs/dbraw/zinc/76/80/93/499768093.db2.gz WUPXERYPSHHHDV-UXPWSPDFSA-N 2 1 365.949 3.033 20 0 FGADMP C[C@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676850 499776720 /nfs/dbraw/zinc/77/67/20/499776720.db2.gz QGVUMJDIQJEZRO-WOIUINJBSA-N 2 1 358.526 3.441 20 0 FGADMP CC[C@H](C)N1CC[NH+](CCC(C)CCN2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000411787402 499790715 /nfs/dbraw/zinc/79/07/15/499790715.db2.gz FAYUFJXAUAMLOB-VXKWHMMOSA-N 2 1 366.638 3.235 20 0 FGADMP O[C@H]([C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793065 499791370 /nfs/dbraw/zinc/79/13/70/499791370.db2.gz BBIAUKWFPBNSNW-ZWKOTPCHSA-N 2 1 356.432 3.418 20 0 FGADMP O[C@H]([C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798835 499791916 /nfs/dbraw/zinc/79/19/16/499791916.db2.gz JQANEXUZYYQDHC-QZTJIDSGSA-N 2 1 356.432 3.418 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411990104 499810196 /nfs/dbraw/zinc/81/01/96/499810196.db2.gz SEBUGPSOTIMEEV-OAQYLSRUSA-N 2 1 369.553 3.245 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706111 499821537 /nfs/dbraw/zinc/82/15/37/499821537.db2.gz OLAAOGFVUVIEPW-VQIMIIECSA-N 2 1 363.933 3.454 20 0 FGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784260 499830626 /nfs/dbraw/zinc/83/06/26/499830626.db2.gz RAVSTQVAOUFKPT-JKSUJKDBSA-N 2 1 350.890 3.323 20 0 FGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855895 499838257 /nfs/dbraw/zinc/83/82/57/499838257.db2.gz XUXPBVKEKWLHFQ-SWLSCSKDSA-N 2 1 356.308 3.129 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CNCC[C@H]2c2ccc(OC)cc2)ccc1OC ZINC000414884998 499841275 /nfs/dbraw/zinc/84/12/75/499841275.db2.gz OTTUPRCTFGRGGO-VQTJNVASSA-N 2 1 370.493 3.338 20 0 FGADMP C[C@@]1(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCC[NH2+]C1 ZINC000414916516 499844388 /nfs/dbraw/zinc/84/43/88/499844388.db2.gz PUTIXJZDQHGNRT-GOSISDBHSA-N 2 1 366.431 3.430 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414936084 499846418 /nfs/dbraw/zinc/84/64/18/499846418.db2.gz BGLXTZMIIUEXGB-DOMZBBRYSA-N 2 1 371.319 3.334 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414939859 499846781 /nfs/dbraw/zinc/84/67/81/499846781.db2.gz BEESGAWKRPNWGH-TZMCWYRMSA-N 2 1 371.319 3.477 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(Br)c1OC ZINC000414957223 499848844 /nfs/dbraw/zinc/84/88/44/499848844.db2.gz VXMNHWPAYONEOD-YPMHNXCESA-N 2 1 357.292 3.087 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000412382239 499850270 /nfs/dbraw/zinc/85/02/70/499850270.db2.gz CGXWKQBWQPHVSF-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382239 499850271 /nfs/dbraw/zinc/85/02/71/499850271.db2.gz CGXWKQBWQPHVSF-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382239 499850272 /nfs/dbraw/zinc/85/02/72/499850272.db2.gz CGXWKQBWQPHVSF-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP Fc1ccc(-c2nc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cs2)cc1 ZINC000415054834 499858856 /nfs/dbraw/zinc/85/88/56/499858856.db2.gz NTKGGBPULXURJF-UHFFFAOYSA-N 2 1 374.529 3.255 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@H](C[NH3+])C3CCCC3)cnc12 ZINC000415063235 499859975 /nfs/dbraw/zinc/85/99/75/499859975.db2.gz HIDJNZICTCRNOP-OAHLLOKOSA-N 2 1 351.292 3.012 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000415112921 499865387 /nfs/dbraw/zinc/86/53/87/499865387.db2.gz SUQIRHLGEOLPQQ-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@H]1C[NH3+] ZINC000415119983 499866234 /nfs/dbraw/zinc/86/62/34/499866234.db2.gz FPLXGKSFKOCFFO-IEBWSBKVSA-N 2 1 361.493 3.351 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000415121527 499866252 /nfs/dbraw/zinc/86/62/52/499866252.db2.gz IKSUITYZVQNPBV-YOEHRIQHSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)cc3F)CC2)C1 ZINC000415128608 499867446 /nfs/dbraw/zinc/86/74/46/499867446.db2.gz SMNHMIGNKXZMHL-WBVHZDCISA-N 2 1 371.294 3.307 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133207 499868445 /nfs/dbraw/zinc/86/84/45/499868445.db2.gz UYIAXEMEWMGMQZ-LPHOPBHVSA-N 2 1 355.482 3.086 20 0 FGADMP C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C[NH3+] ZINC000415135941 499868847 /nfs/dbraw/zinc/86/88/47/499868847.db2.gz WVMCERLCONFIBC-ZFWWWQNUSA-N 2 1 363.303 3.052 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C[NH3+] ZINC000415135941 499868849 /nfs/dbraw/zinc/86/88/49/499868849.db2.gz WVMCERLCONFIBC-ZFWWWQNUSA-N 2 1 363.303 3.052 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977783 499936458 /nfs/dbraw/zinc/93/64/58/499936458.db2.gz YRNRNGCKNNAFER-DYESRHJHSA-N 2 1 366.509 3.438 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415999147 499939514 /nfs/dbraw/zinc/93/95/14/499939514.db2.gz UNTWBPJLNCZPEP-UHFFFAOYSA-N 2 1 356.514 3.410 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)cc1 ZINC000416018603 499941496 /nfs/dbraw/zinc/94/14/96/499941496.db2.gz WNUDXJHDTWLSRZ-UHFFFAOYSA-N 2 1 354.454 3.185 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000416138791 499955009 /nfs/dbraw/zinc/95/50/09/499955009.db2.gz ZBJGDSXQUJOSDB-HXUWFJFHSA-N 2 1 371.550 3.128 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416160709 499963868 /nfs/dbraw/zinc/96/38/68/499963868.db2.gz PHTBOUDKWQWRMS-UHFFFAOYSA-N 2 1 371.569 3.405 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416160709 499963871 /nfs/dbraw/zinc/96/38/71/499963871.db2.gz PHTBOUDKWQWRMS-UHFFFAOYSA-N 2 1 371.569 3.405 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416160709 499963875 /nfs/dbraw/zinc/96/38/75/499963875.db2.gz PHTBOUDKWQWRMS-UHFFFAOYSA-N 2 1 371.569 3.405 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032860 499989283 /nfs/dbraw/zinc/98/92/83/499989283.db2.gz XXSLJDJJNRHJQW-WZONZLPQSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032860 499989288 /nfs/dbraw/zinc/98/92/88/499989288.db2.gz XXSLJDJJNRHJQW-WZONZLPQSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032860 499989293 /nfs/dbraw/zinc/98/92/93/499989293.db2.gz XXSLJDJJNRHJQW-WZONZLPQSA-N 2 1 363.505 3.183 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1)C1CCCCC1 ZINC000417223494 500009971 /nfs/dbraw/zinc/00/99/71/500009971.db2.gz QLBLCPDYHXWPGR-UHFFFAOYSA-N 2 1 372.557 3.392 20 0 FGADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)[C@@H]2C1 ZINC000425066485 500010489 /nfs/dbraw/zinc/01/04/89/500010489.db2.gz OULDZOQTQOMBGB-CMKODMSKSA-N 2 1 370.541 3.046 20 0 FGADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)[C@@H]2C1 ZINC000425066485 500010492 /nfs/dbraw/zinc/01/04/92/500010492.db2.gz OULDZOQTQOMBGB-CMKODMSKSA-N 2 1 370.541 3.046 20 0 FGADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000417226679 500011194 /nfs/dbraw/zinc/01/11/94/500011194.db2.gz UKIVHNDARJKWRN-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000417229877 500011712 /nfs/dbraw/zinc/01/17/12/500011712.db2.gz YCUKOZGROBSOKC-PXNSSMCTSA-N 2 1 372.557 3.378 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000429232928 500028728 /nfs/dbraw/zinc/02/87/28/500028728.db2.gz CRKOOUCWOHJBNF-INIZCTEOSA-N 2 1 360.477 3.174 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000429232928 500028730 /nfs/dbraw/zinc/02/87/30/500028730.db2.gz CRKOOUCWOHJBNF-INIZCTEOSA-N 2 1 360.477 3.174 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000421372729 500029791 /nfs/dbraw/zinc/02/97/91/500029791.db2.gz LRDFWLRTCCLFPY-IBGZPJMESA-N 2 1 359.558 3.291 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[NH2+]C(C)(C)c1ccccc1F)c1ccccc1 ZINC000429240369 500031155 /nfs/dbraw/zinc/03/11/55/500031155.db2.gz XBQPFBWEBGEKKB-LJQANCHMSA-N 2 1 357.473 3.070 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000429248279 500033248 /nfs/dbraw/zinc/03/32/48/500033248.db2.gz VOFWJKDNQHMGQE-UHFFFAOYSA-N 2 1 372.557 3.243 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000429248279 500033252 /nfs/dbraw/zinc/03/32/52/500033252.db2.gz VOFWJKDNQHMGQE-UHFFFAOYSA-N 2 1 372.557 3.243 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421391672 500036133 /nfs/dbraw/zinc/03/61/33/500036133.db2.gz AUYNEIIQRSZSEO-FQEVSTJZSA-N 2 1 359.558 3.203 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421391674 500036274 /nfs/dbraw/zinc/03/62/74/500036274.db2.gz AUYNEIIQRSZSEO-HXUWFJFHSA-N 2 1 359.558 3.203 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000429519377 500091686 /nfs/dbraw/zinc/09/16/86/500091686.db2.gz VWRMRJVEMCNIRQ-DYESRHJHSA-N 2 1 351.494 3.377 20 0 FGADMP COC1(C[C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000429520487 500092612 /nfs/dbraw/zinc/09/26/12/500092612.db2.gz SONZZJAVRMSRSY-FPOVZHCZSA-N 2 1 359.558 3.303 20 0 FGADMP C[C@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417578067 500115018 /nfs/dbraw/zinc/11/50/18/500115018.db2.gz KMRKVPOMCISYGX-LJQANCHMSA-N 2 1 368.525 3.068 20 0 FGADMP CCCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)C1CC[NH2+]CC1 ZINC000417583404 500116359 /nfs/dbraw/zinc/11/63/59/500116359.db2.gz KJDIHOOLHYDTPG-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675163 500146014 /nfs/dbraw/zinc/14/60/14/500146014.db2.gz BHCQVJGYOVLRNP-PXNSSMCTSA-N 2 1 374.573 3.276 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)C1 ZINC000416968518 500169303 /nfs/dbraw/zinc/16/93/03/500169303.db2.gz JHTUOBKJSDDJOG-LQWHRVPQSA-N 2 1 372.557 3.045 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300442 506180267 /nfs/dbraw/zinc/18/02/67/506180267.db2.gz GLFKJPGDBOVIIA-VQTJNVASSA-N 2 1 373.516 3.027 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300442 506180269 /nfs/dbraw/zinc/18/02/69/506180269.db2.gz GLFKJPGDBOVIIA-VQTJNVASSA-N 2 1 373.516 3.027 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000416975513 500172696 /nfs/dbraw/zinc/17/26/96/500172696.db2.gz MYJVHZORLNWKGV-KRWDZBQOSA-N 2 1 360.546 3.187 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416979443 500174060 /nfs/dbraw/zinc/17/40/60/500174060.db2.gz SKVNALGZVHXJEC-LVCYWYKZSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)C3CC[NH2+]CC3)cc2)C1 ZINC000416993920 500178724 /nfs/dbraw/zinc/17/87/24/500178724.db2.gz QYSPRICUJXKZBI-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417827172 500179821 /nfs/dbraw/zinc/17/98/21/500179821.db2.gz CWIYCZHVDJVQBV-PKOBYXMFSA-N 2 1 358.530 3.000 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023736 500186566 /nfs/dbraw/zinc/18/65/66/500186566.db2.gz WJFKWHAWCANJGJ-QUCCMNQESA-N 2 1 364.578 3.205 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000417881824 500190831 /nfs/dbraw/zinc/19/08/31/500190831.db2.gz RJDMRPJPULENAR-WIYYLYMNSA-N 2 1 374.573 3.496 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000417883865 500191192 /nfs/dbraw/zinc/19/11/92/500191192.db2.gz STEXLHYGXSXPNC-HXUWFJFHSA-N 2 1 360.546 3.107 20 0 FGADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000425981812 500221039 /nfs/dbraw/zinc/22/10/39/500221039.db2.gz SLDYYRZTYQHTLA-FGZHOGPDSA-N 2 1 354.469 3.382 20 0 FGADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000425981812 500221042 /nfs/dbraw/zinc/22/10/42/500221042.db2.gz SLDYYRZTYQHTLA-FGZHOGPDSA-N 2 1 354.469 3.382 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186678 500229667 /nfs/dbraw/zinc/22/96/67/500229667.db2.gz RTEUHSYUROVOIU-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000422186678 500229668 /nfs/dbraw/zinc/22/96/68/500229668.db2.gz RTEUHSYUROVOIU-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@H]2CCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000422186678 500229669 /nfs/dbraw/zinc/22/96/69/500229669.db2.gz RTEUHSYUROVOIU-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000430373240 500233051 /nfs/dbraw/zinc/23/30/51/500233051.db2.gz DSVQPCLYMTWRTH-RTBURBONSA-N 2 1 372.557 3.436 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418161123 500239675 /nfs/dbraw/zinc/23/96/75/500239675.db2.gz SNEFANTYKOIWJC-RBUKOAKNSA-N 2 1 360.546 3.104 20 0 FGADMP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422246744 500241043 /nfs/dbraw/zinc/24/10/43/500241043.db2.gz UFTYMWVGZIKBRN-CBNMVNINSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430601409 500260937 /nfs/dbraw/zinc/26/09/37/500260937.db2.gz TZWUSUISPVSBRL-YRISNDGFSA-N 2 1 371.550 3.403 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000418347546 500266098 /nfs/dbraw/zinc/26/60/98/500266098.db2.gz QNDMAYDYEPLLFJ-WIYYLYMNSA-N 2 1 372.557 3.025 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418355393 500267623 /nfs/dbraw/zinc/26/76/23/500267623.db2.gz BKEMAOPBRKTFES-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707515 500287873 /nfs/dbraw/zinc/28/78/73/500287873.db2.gz AGQHYBXSFIAMJO-FDFHNCONSA-N 2 1 353.510 3.430 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000430812189 500289317 /nfs/dbraw/zinc/28/93/17/500289317.db2.gz UWVZAEZGDKLESQ-PDOICOKGSA-N 2 1 363.571 3.273 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726517 500290758 /nfs/dbraw/zinc/29/07/58/500290758.db2.gz FBZWHEFATAMTTE-COXVUDFISA-N 2 1 357.420 3.284 20 0 FGADMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746966 500293803 /nfs/dbraw/zinc/29/38/03/500293803.db2.gz XSPXGTPYSXPREL-YTFSRNRJSA-N 2 1 371.569 3.044 20 0 FGADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757735 500294595 /nfs/dbraw/zinc/29/45/95/500294595.db2.gz IXBDFHKFTYBYRB-DHSIGJKJSA-N 2 1 355.448 3.286 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418602959 500295960 /nfs/dbraw/zinc/29/59/60/500295960.db2.gz WFLFQBOSQSKOOQ-QMMLZNLJSA-N 2 1 372.557 3.198 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)nc1 ZINC000422793383 500298312 /nfs/dbraw/zinc/29/83/12/500298312.db2.gz YBSMXWSDMLBCOL-NHCUHLMSSA-N 2 1 350.510 3.442 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418675196 500305952 /nfs/dbraw/zinc/30/59/52/500305952.db2.gz QMYRUMVBPRQUST-IBGZPJMESA-N 2 1 372.557 3.202 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000579490780 506188267 /nfs/dbraw/zinc/18/82/67/506188267.db2.gz HAWXJHWKGZSTCN-IBGZPJMESA-N 2 1 363.933 3.277 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422904384 500313775 /nfs/dbraw/zinc/31/37/75/500313775.db2.gz XHCKJFLTUPDLGG-IEBWSBKVSA-N 2 1 360.546 3.325 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422907658 500314774 /nfs/dbraw/zinc/31/47/74/500314774.db2.gz BWRHTOUQACFDGY-YPAWHYETSA-N 2 1 357.542 3.172 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)CC1 ZINC000422927671 500318612 /nfs/dbraw/zinc/31/86/12/500318612.db2.gz ZNLFWXXMPWSSDK-XXBNENTESA-N 2 1 366.553 3.195 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000431018857 500324368 /nfs/dbraw/zinc/32/43/68/500324368.db2.gz JRKPMAMXBSMTOU-IFMALSPDSA-N 2 1 365.521 3.100 20 0 FGADMP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423014389 500330868 /nfs/dbraw/zinc/33/08/68/500330868.db2.gz IIDCXKHMGRRVQY-DYXWJJEUSA-N 2 1 374.431 3.498 20 0 FGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014493 500331149 /nfs/dbraw/zinc/33/11/49/500331149.db2.gz PFRBAHPMAXRNDY-GXFFZTMASA-N 2 1 351.800 3.110 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431074344 500331924 /nfs/dbraw/zinc/33/19/24/500331924.db2.gz SQXXNJOBXVWRAO-KRWDZBQOSA-N 2 1 353.510 3.481 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431074344 500331927 /nfs/dbraw/zinc/33/19/27/500331927.db2.gz SQXXNJOBXVWRAO-KRWDZBQOSA-N 2 1 353.510 3.481 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000423108824 500343272 /nfs/dbraw/zinc/34/32/72/500343272.db2.gz GNJUUVNRUIQGTI-HMXCVIKNSA-N 2 1 353.510 3.490 20 0 FGADMP Fc1ccc(F)c([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000423200244 500354812 /nfs/dbraw/zinc/35/48/12/500354812.db2.gz FBMBMPWGZMRDMW-IBGZPJMESA-N 2 1 365.855 3.202 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281415 500358525 /nfs/dbraw/zinc/35/85/25/500358525.db2.gz FNMQVXGKHMAONW-WMQCIHAUSA-N 2 1 374.573 3.414 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000423356914 500366939 /nfs/dbraw/zinc/36/69/39/500366939.db2.gz RIXZALDXSSWSTQ-FQEVSTJZSA-N 2 1 353.510 3.481 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000423362378 500367347 /nfs/dbraw/zinc/36/73/47/500367347.db2.gz SXHZLCOEDJCDKC-IEBWSBKVSA-N 2 1 351.494 3.001 20 0 FGADMP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000423480913 500378089 /nfs/dbraw/zinc/37/80/89/500378089.db2.gz WHMLBMDNKXBJDZ-QANKJYHBSA-N 2 1 360.429 3.249 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000427332805 500382084 /nfs/dbraw/zinc/38/20/84/500382084.db2.gz VNFWUOKYMWXHQE-NZQKXSOJSA-N 2 1 369.553 3.281 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000427332806 500382320 /nfs/dbraw/zinc/38/23/20/500382320.db2.gz VNFWUOKYMWXHQE-OFNKIYASSA-N 2 1 369.553 3.281 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423753277 500399500 /nfs/dbraw/zinc/39/95/00/500399500.db2.gz XDGFYTVMEJXUOT-IFMALSPDSA-N 2 1 357.542 3.061 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423793862 500402098 /nfs/dbraw/zinc/40/20/98/500402098.db2.gz DCZKBFHFDGKWLO-RYUDHWBXSA-N 2 1 358.313 3.057 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000573433937 506193448 /nfs/dbraw/zinc/19/34/48/506193448.db2.gz MCFPWASTITXJPG-GOSISDBHSA-N 2 1 360.546 3.200 20 0 FGADMP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423839070 500410115 /nfs/dbraw/zinc/41/01/15/500410115.db2.gz CKQRBRNCDATTBP-FQEVSTJZSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423898317 500417165 /nfs/dbraw/zinc/41/71/65/500417165.db2.gz IEJUKOSECBRXFA-PCCBWWKXSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423906262 500417961 /nfs/dbraw/zinc/41/79/61/500417961.db2.gz PWZDCBWWMQDEQC-DFQSSKMNSA-N 2 1 355.526 3.188 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000431755228 500420312 /nfs/dbraw/zinc/42/03/12/500420312.db2.gz QSUXCUYDFAVVTI-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431796899 500425869 /nfs/dbraw/zinc/42/58/69/500425869.db2.gz VPCPAMDMUSYFLB-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431796899 500425872 /nfs/dbraw/zinc/42/58/72/500425872.db2.gz VPCPAMDMUSYFLB-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431796899 500425874 /nfs/dbraw/zinc/42/58/74/500425874.db2.gz VPCPAMDMUSYFLB-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000431803272 500426800 /nfs/dbraw/zinc/42/68/00/500426800.db2.gz XJOMBJKKXPIBAW-LJQANCHMSA-N 2 1 361.555 3.438 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000573442795 506195277 /nfs/dbraw/zinc/19/52/77/506195277.db2.gz QNXPHPFTOOTCHP-YSFYHYPLSA-N 2 1 369.553 3.407 20 0 FGADMP C[C@@](C[NH3+])([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297656 500436129 /nfs/dbraw/zinc/43/61/29/500436129.db2.gz ZAFLUTSPAUNGGQ-PMACEKPBSA-N 2 1 357.523 3.061 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420325742 500441912 /nfs/dbraw/zinc/44/19/12/500441912.db2.gz WTUFSKSVGRTNGY-ROUUACIJSA-N 2 1 352.400 3.068 20 0 FGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420325742 500441916 /nfs/dbraw/zinc/44/19/16/500441916.db2.gz WTUFSKSVGRTNGY-ROUUACIJSA-N 2 1 352.400 3.068 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346978 500446084 /nfs/dbraw/zinc/44/60/84/500446084.db2.gz ZPJSQQMSTAYQJI-OALUTQOASA-N 2 1 351.494 3.490 20 0 FGADMP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420366135 500448328 /nfs/dbraw/zinc/44/83/28/500448328.db2.gz FNBASCBSCVLGBH-KEYYUXOJSA-N 2 1 353.304 3.211 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373712 500449993 /nfs/dbraw/zinc/44/99/93/500449993.db2.gz MXYKRJNDFRPDFU-RBUKOAKNSA-N 2 1 364.493 3.252 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000420375267 500450332 /nfs/dbraw/zinc/45/03/32/500450332.db2.gz PARYXNNPWQITPP-LBPRGKRZSA-N 2 1 354.376 3.272 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000420375267 500450333 /nfs/dbraw/zinc/45/03/33/500450333.db2.gz PARYXNNPWQITPP-LBPRGKRZSA-N 2 1 354.376 3.272 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420378250 500451155 /nfs/dbraw/zinc/45/11/55/500451155.db2.gz QDJZRMYVGYIAJK-KRWDZBQOSA-N 2 1 356.297 3.398 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376844 500451194 /nfs/dbraw/zinc/45/11/94/500451194.db2.gz APHWOYRDDVZTJX-WTOYTKOKSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376844 500451198 /nfs/dbraw/zinc/45/11/98/500451198.db2.gz APHWOYRDDVZTJX-WTOYTKOKSA-N 2 1 365.521 3.481 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420377851 500451264 /nfs/dbraw/zinc/45/12/64/500451264.db2.gz LKKUYEOXXGOEFH-CTNGQTDRSA-N 2 1 360.498 3.006 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cs2)o1 ZINC000420379809 500451989 /nfs/dbraw/zinc/45/19/89/500451989.db2.gz NPQZDJKHZDKARN-WMZOPIPTSA-N 2 1 361.511 3.430 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000420379918 500452044 /nfs/dbraw/zinc/45/20/44/500452044.db2.gz BOKVQWIGHCLFSO-HLAWJBBLSA-N 2 1 355.526 3.034 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)cs2)o1 ZINC000420389958 500453726 /nfs/dbraw/zinc/45/37/26/500453726.db2.gz MSZTUVBZHUTQDA-YJBOKZPZSA-N 2 1 361.511 3.430 20 0 FGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420393727 500454602 /nfs/dbraw/zinc/45/46/02/500454602.db2.gz QUPCAYJRLSBNNW-OXJNMPFZSA-N 2 1 353.466 3.050 20 0 FGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420393727 500454606 /nfs/dbraw/zinc/45/46/06/500454606.db2.gz QUPCAYJRLSBNNW-OXJNMPFZSA-N 2 1 353.466 3.050 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420407822 500456562 /nfs/dbraw/zinc/45/65/62/500456562.db2.gz VMXVCKRPBPGXBY-PBHICJAKSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCC1(c3ccccc3)CCCC1)CC[NH2+]CC2 ZINC000424283802 500481113 /nfs/dbraw/zinc/48/11/13/500481113.db2.gz CEKQVBOKVGCPSL-LJQANCHMSA-N 2 1 369.553 3.079 20 0 FGADMP Cc1cc(C(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)n1CC(F)(F)F ZINC000424301539 500483419 /nfs/dbraw/zinc/48/34/19/500483419.db2.gz XOUVEIVKUXVOBF-AWEZNQCLSA-N 2 1 371.447 3.314 20 0 FGADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1 ZINC000424310043 500484336 /nfs/dbraw/zinc/48/43/36/500484336.db2.gz JBNGFTFUGXGNBN-UHFFFAOYSA-N 2 1 356.466 3.343 20 0 FGADMP CC(C)O[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000428308969 500494112 /nfs/dbraw/zinc/49/41/12/500494112.db2.gz KLBASCUVKRAVPX-KORDQABASA-N 2 1 371.569 3.396 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Br)cc3c1OCC3)CC[NH2+]CC2 ZINC000424386490 500495046 /nfs/dbraw/zinc/49/50/46/500495046.db2.gz XFEIOSHMWGOVLV-CYBMUJFWSA-N 2 1 365.315 3.348 20 0 FGADMP CC(C)c1ncc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000428438620 500509806 /nfs/dbraw/zinc/50/98/06/500509806.db2.gz KKGHIXWSWWTUJK-FQEVSTJZSA-N 2 1 359.539 3.335 20 0 FGADMP Cc1cc(CNC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420840746 500513441 /nfs/dbraw/zinc/51/34/41/500513441.db2.gz BGYGGPPTOLLZBA-HXUWFJFHSA-N 2 1 366.509 3.362 20 0 FGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432426243 500515271 /nfs/dbraw/zinc/51/52/71/500515271.db2.gz PTPPQWLYXKJOBI-IEBWSBKVSA-N 2 1 364.530 3.115 20 0 FGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432426243 500515274 /nfs/dbraw/zinc/51/52/74/500515274.db2.gz PTPPQWLYXKJOBI-IEBWSBKVSA-N 2 1 364.530 3.115 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000428694402 500544787 /nfs/dbraw/zinc/54/47/87/500544787.db2.gz BDQCIDYOASVRGM-NRFANRHFSA-N 2 1 372.557 3.197 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccccc3OC)CC2)CC1 ZINC000420979335 500546051 /nfs/dbraw/zinc/54/60/51/500546051.db2.gz KMBLJMPHVSCNPN-UHFFFAOYSA-N 2 1 359.558 3.120 20 0 FGADMP C[C@H]1CCCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424710556 500547344 /nfs/dbraw/zinc/54/73/44/500547344.db2.gz OWTCRAAIZOMUGH-RXVVDRJESA-N 2 1 363.590 3.467 20 0 FGADMP CCc1cccc(OCC[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000421020554 500556317 /nfs/dbraw/zinc/55/63/17/500556317.db2.gz ZJPKVBFAFQYHFB-UHFFFAOYSA-N 2 1 359.558 3.120 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000428856224 500566279 /nfs/dbraw/zinc/56/62/79/500566279.db2.gz LPLNOLGAELSFEA-HLAWJBBLSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856224 500566280 /nfs/dbraw/zinc/56/62/80/500566280.db2.gz LPLNOLGAELSFEA-HLAWJBBLSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856224 500566281 /nfs/dbraw/zinc/56/62/81/500566281.db2.gz LPLNOLGAELSFEA-HLAWJBBLSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000421068554 500569121 /nfs/dbraw/zinc/56/91/21/500569121.db2.gz RXEADZVQMBVYEX-DZIBYMRMSA-N 2 1 374.529 3.074 20 0 FGADMP C[C@H](c1ccc(NC(=O)NC2CCC([NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000421068555 500569246 /nfs/dbraw/zinc/56/92/46/500569246.db2.gz RXEADZVQMBVYEX-PBPGXSGUSA-N 2 1 374.529 3.074 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494542 506204281 /nfs/dbraw/zinc/20/42/81/506204281.db2.gz PCYHMWSJPHVQIQ-WIYYLYMNSA-N 2 1 357.542 3.060 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC000437111415 500603582 /nfs/dbraw/zinc/60/35/82/500603582.db2.gz PZKCRIGWQJCERI-UHFFFAOYSA-N 2 1 356.432 3.437 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447426287 500604443 /nfs/dbraw/zinc/60/44/43/500604443.db2.gz CACQYLVZOSLQGL-HUUCEWRRSA-N 2 1 351.560 3.296 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126197 500631727 /nfs/dbraw/zinc/63/17/27/500631727.db2.gz NKFBHMGPRSXPQP-HXUWFJFHSA-N 2 1 369.553 3.376 20 0 FGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879836 500638655 /nfs/dbraw/zinc/63/86/55/500638655.db2.gz WZLKGFQYPBLSOE-HNNXBMFYSA-N 2 1 353.938 3.415 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442880293 500638799 /nfs/dbraw/zinc/63/87/99/500638799.db2.gz XHGHHEDGKSNHFT-SFHVURJKSA-N 2 1 365.949 3.478 20 0 FGADMP Clc1ccc(-n2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nn2)cc1Cl ZINC000570632509 506208461 /nfs/dbraw/zinc/20/84/61/506208461.db2.gz QTEFGEFCLYOPJI-BETUJISGSA-N 2 1 366.296 3.006 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437540733 500658271 /nfs/dbraw/zinc/65/82/71/500658271.db2.gz WEQKPLMVLQITRO-AFMYVXGZSA-N 2 1 364.578 3.203 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575774 500662663 /nfs/dbraw/zinc/66/26/63/500662663.db2.gz BGMBAAOITOSVFS-HKUYNNGSSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575774 500662664 /nfs/dbraw/zinc/66/26/64/500662664.db2.gz BGMBAAOITOSVFS-HKUYNNGSSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575774 500662667 /nfs/dbraw/zinc/66/26/67/500662667.db2.gz BGMBAAOITOSVFS-HKUYNNGSSA-N 2 1 370.459 3.273 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055347 500669943 /nfs/dbraw/zinc/66/99/43/500669943.db2.gz BGLVOXFOMPGWBC-LAUBAEHRSA-N 2 1 371.550 3.323 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058422 500670495 /nfs/dbraw/zinc/67/04/95/500670495.db2.gz AAGVMXLENZXTAZ-ZDUSSCGKSA-N 2 1 358.313 3.013 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000437701441 500683469 /nfs/dbraw/zinc/68/34/69/500683469.db2.gz FSOKTZZUBZOUGS-FXAWDEMLSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000437701441 500683473 /nfs/dbraw/zinc/68/34/73/500683473.db2.gz FSOKTZZUBZOUGS-FXAWDEMLSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000437701441 500683474 /nfs/dbraw/zinc/68/34/74/500683474.db2.gz FSOKTZZUBZOUGS-FXAWDEMLSA-N 2 1 362.562 3.100 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437809209 500700047 /nfs/dbraw/zinc/70/00/47/500700047.db2.gz JQGKJKUOWUIGQA-HXUWFJFHSA-N 2 1 364.578 3.205 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211736 500733482 /nfs/dbraw/zinc/73/34/82/500733482.db2.gz DYTZEUHWDNXQKD-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000448211736 500733485 /nfs/dbraw/zinc/73/34/85/500733485.db2.gz DYTZEUHWDNXQKD-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000448211736 500733488 /nfs/dbraw/zinc/73/34/88/500733488.db2.gz DYTZEUHWDNXQKD-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C)C1 ZINC000448465231 500762410 /nfs/dbraw/zinc/76/24/10/500762410.db2.gz HNVIBFUNWSJZLC-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000448469126 500762430 /nfs/dbraw/zinc/76/24/30/500762430.db2.gz XRAVWHXWRBSFRM-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438329680 500770921 /nfs/dbraw/zinc/77/09/21/500770921.db2.gz WSMAOJYTQPOFJY-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443971853 500785453 /nfs/dbraw/zinc/78/54/53/500785453.db2.gz WGPAAEKRIIHXRI-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443971853 500785458 /nfs/dbraw/zinc/78/54/58/500785458.db2.gz WGPAAEKRIIHXRI-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438570910 500802927 /nfs/dbraw/zinc/80/29/27/500802927.db2.gz YHROWLDODYYPCH-RBUKOAKNSA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438570910 500802929 /nfs/dbraw/zinc/80/29/29/500802929.db2.gz YHROWLDODYYPCH-RBUKOAKNSA-N 2 1 359.514 3.330 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000439228612 500872257 /nfs/dbraw/zinc/87/22/57/500872257.db2.gz HPWDJQLFGLAKKB-OKYOBFRVSA-N 2 1 364.578 3.011 20 0 FGADMP CCn1nnc(C)c1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000449038739 500908000 /nfs/dbraw/zinc/90/80/00/500908000.db2.gz WXORRTZFRWJLHS-UHFFFAOYSA-N 2 1 353.514 3.095 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]c1C ZINC000449123075 500930211 /nfs/dbraw/zinc/93/02/11/500930211.db2.gz MKZBPBGFPMFYQI-LJQANCHMSA-N 2 1 369.509 3.154 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]c1C ZINC000449123075 500930213 /nfs/dbraw/zinc/93/02/13/500930213.db2.gz MKZBPBGFPMFYQI-LJQANCHMSA-N 2 1 369.509 3.154 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CCN(C)CC1 ZINC000449131966 500931782 /nfs/dbraw/zinc/93/17/82/500931782.db2.gz QTCCDIYCRCDOGO-IBGZPJMESA-N 2 1 366.638 3.139 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449133007 500931988 /nfs/dbraw/zinc/93/19/88/500931988.db2.gz WZADKNPHLZTEOB-UHFFFAOYSA-N 2 1 351.579 3.120 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449149198 500935317 /nfs/dbraw/zinc/93/53/17/500935317.db2.gz MNGNPDWWGZGMNT-HNNXBMFYSA-N 2 1 363.502 3.276 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000449148025 500935448 /nfs/dbraw/zinc/93/54/48/500935448.db2.gz IPBJKRJFXFXPGR-HXUWFJFHSA-N 3 1 367.622 3.492 20 0 FGADMP Fc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000449159631 500937349 /nfs/dbraw/zinc/93/73/49/500937349.db2.gz HUFABSSZXNGNSX-ZDUSSCGKSA-N 2 1 371.294 3.179 20 0 FGADMP O[C@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000449160606 500937552 /nfs/dbraw/zinc/93/75/52/500937552.db2.gz BYNKWFCXWBYWHF-SDVLMSEASA-N 2 1 372.553 3.483 20 0 FGADMP O[C@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449160606 500937554 /nfs/dbraw/zinc/93/75/54/500937554.db2.gz BYNKWFCXWBYWHF-SDVLMSEASA-N 2 1 372.553 3.483 20 0 FGADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160792 500937564 /nfs/dbraw/zinc/93/75/64/500937564.db2.gz COMUPDVAOQZFNV-IERDGZPVSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160792 500937566 /nfs/dbraw/zinc/93/75/66/500937566.db2.gz COMUPDVAOQZFNV-IERDGZPVSA-N 2 1 360.448 3.295 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCC1 ZINC000449223768 500951899 /nfs/dbraw/zinc/95/18/99/500951899.db2.gz YYKHUGHJCQQLNT-HXUWFJFHSA-N 2 1 359.514 3.016 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435372977 500961568 /nfs/dbraw/zinc/96/15/68/500961568.db2.gz CJSBUMXJRLBILC-DYESRHJHSA-N 2 1 361.493 3.163 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435372977 500961569 /nfs/dbraw/zinc/96/15/69/500961569.db2.gz CJSBUMXJRLBILC-DYESRHJHSA-N 2 1 361.493 3.163 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373916 500961957 /nfs/dbraw/zinc/96/19/57/500961957.db2.gz GPIUMUKSUQHVAQ-OAHLLOKOSA-N 2 1 352.404 3.323 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375251 500962108 /nfs/dbraw/zinc/96/21/08/500962108.db2.gz ULLIHKCOSMWKEF-LPHOPBHVSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375251 500962112 /nfs/dbraw/zinc/96/21/12/500962112.db2.gz ULLIHKCOSMWKEF-LPHOPBHVSA-N 2 1 370.493 3.452 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375641 500962384 /nfs/dbraw/zinc/96/23/84/500962384.db2.gz WBCJJBQILUOOTI-BBRMVZONSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375641 500962385 /nfs/dbraw/zinc/96/23/85/500962385.db2.gz WBCJJBQILUOOTI-BBRMVZONSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000435377240 500963166 /nfs/dbraw/zinc/96/31/66/500963166.db2.gz ZLWCPJWCPCZDCC-LLVKDONJSA-N 2 1 354.285 3.133 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435379800 500963764 /nfs/dbraw/zinc/96/37/64/500963764.db2.gz NNTYZXGIDJXNMW-DZFGPLHGSA-N 2 1 365.477 3.117 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]21 ZINC000435382641 500964307 /nfs/dbraw/zinc/96/43/07/500964307.db2.gz DXYYXDPQCRAEGL-BVYCBKJFSA-N 2 1 373.504 3.494 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383895 500964519 /nfs/dbraw/zinc/96/45/19/500964519.db2.gz JUWFIWIUEJMKBC-BVYCBKJFSA-N 2 1 373.504 3.494 20 0 FGADMP CCOc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000435434609 500976356 /nfs/dbraw/zinc/97/63/56/500976356.db2.gz YUPDSWKXNYGTAZ-AWEZNQCLSA-N 2 1 371.319 3.430 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OCc1cccnc1 ZINC000435438953 500977344 /nfs/dbraw/zinc/97/73/44/500977344.db2.gz RWJHIUFVYKBLQW-LJQANCHMSA-N 2 1 355.482 3.243 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345439 500982938 /nfs/dbraw/zinc/98/29/38/500982938.db2.gz VNGQRBSRRGYBNJ-PGRDOPGGSA-N 2 1 365.521 3.288 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440184132 500985110 /nfs/dbraw/zinc/98/51/10/500985110.db2.gz HRDPNLDOKPKGBC-UXHICEINSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000440181221 500985359 /nfs/dbraw/zinc/98/53/59/500985359.db2.gz CCQCUQNSOVUKKL-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494574 501018017 /nfs/dbraw/zinc/01/80/17/501018017.db2.gz GXBYLOYJBCYAMF-NZQKXSOJSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494574 501018019 /nfs/dbraw/zinc/01/80/19/501018019.db2.gz GXBYLOYJBCYAMF-NZQKXSOJSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494574 501018022 /nfs/dbraw/zinc/01/80/22/501018022.db2.gz GXBYLOYJBCYAMF-NZQKXSOJSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494574 501018026 /nfs/dbraw/zinc/01/80/26/501018026.db2.gz GXBYLOYJBCYAMF-NZQKXSOJSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499902 501018388 /nfs/dbraw/zinc/01/83/88/501018388.db2.gz MPCKGNDVPVXARO-PZJWPPBQSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499902 501018391 /nfs/dbraw/zinc/01/83/91/501018391.db2.gz MPCKGNDVPVXARO-PZJWPPBQSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499902 501018392 /nfs/dbraw/zinc/01/83/92/501018392.db2.gz MPCKGNDVPVXARO-PZJWPPBQSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499902 501018395 /nfs/dbraw/zinc/01/83/95/501018395.db2.gz MPCKGNDVPVXARO-PZJWPPBQSA-N 2 1 357.542 3.056 20 0 FGADMP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1)C1CC1 ZINC000449501463 501019351 /nfs/dbraw/zinc/01/93/51/501019351.db2.gz FNACVFZFPKGJGO-PFDCGNQRSA-N 2 1 354.538 3.284 20 0 FGADMP OC[C@H]([C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1)C1CC1 ZINC000449514053 501022667 /nfs/dbraw/zinc/02/26/67/501022667.db2.gz XLAUIOJJKJBGHU-VXKWHMMOSA-N 2 1 360.517 3.219 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925312 501064100 /nfs/dbraw/zinc/06/41/00/501064100.db2.gz WXFFTUOFTCRQSG-DBXWQHBBSA-N 2 1 369.553 3.071 20 0 FGADMP c1cc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cs1 ZINC000436268742 501098889 /nfs/dbraw/zinc/09/88/89/501098889.db2.gz VEOYDTMVWGKBDN-UHFFFAOYSA-N 2 1 368.506 3.260 20 0 FGADMP COC(=O)c1ccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c(Cl)c1 ZINC000441371934 501128617 /nfs/dbraw/zinc/12/86/17/501128617.db2.gz NQWXUCUTUOWOIG-MRXNPFEDSA-N 2 1 368.905 3.312 20 0 FGADMP COC(=O)c1ccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c(Cl)c1 ZINC000441371934 501128621 /nfs/dbraw/zinc/12/86/21/501128621.db2.gz NQWXUCUTUOWOIG-MRXNPFEDSA-N 2 1 368.905 3.312 20 0 FGADMP COC(=O)c1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c(Cl)c1 ZINC000441371934 501128624 /nfs/dbraw/zinc/12/86/24/501128624.db2.gz NQWXUCUTUOWOIG-MRXNPFEDSA-N 2 1 368.905 3.312 20 0 FGADMP COC(=O)c1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c(Cl)c1 ZINC000441371934 501128629 /nfs/dbraw/zinc/12/86/29/501128629.db2.gz NQWXUCUTUOWOIG-MRXNPFEDSA-N 2 1 368.905 3.312 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369165 501128963 /nfs/dbraw/zinc/12/89/63/501128963.db2.gz CUKAKXMVCHDEDC-VQTJNVASSA-N 2 1 356.510 3.386 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369165 501128965 /nfs/dbraw/zinc/12/89/65/501128965.db2.gz CUKAKXMVCHDEDC-VQTJNVASSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369165 501128967 /nfs/dbraw/zinc/12/89/67/501128967.db2.gz CUKAKXMVCHDEDC-VQTJNVASSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369165 501128970 /nfs/dbraw/zinc/12/89/70/501128970.db2.gz CUKAKXMVCHDEDC-VQTJNVASSA-N 2 1 356.510 3.386 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441438825 501140038 /nfs/dbraw/zinc/14/00/38/501140038.db2.gz RYRYEVISRSSYGB-HMXCVIKNSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441438825 501140039 /nfs/dbraw/zinc/14/00/39/501140039.db2.gz RYRYEVISRSSYGB-HMXCVIKNSA-N 2 1 355.526 3.156 20 0 FGADMP Cc1ccc(Br)cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000450626992 501169294 /nfs/dbraw/zinc/16/92/94/501169294.db2.gz HZNKDAXXEITHMP-UHFFFAOYSA-N 2 1 368.363 3.215 20 0 FGADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000446840435 501171443 /nfs/dbraw/zinc/17/14/43/501171443.db2.gz YYRHHMWQJJAKCS-RXVVDRJESA-N 2 1 371.529 3.128 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000446882387 501176843 /nfs/dbraw/zinc/17/68/43/501176843.db2.gz DHYXHFHSMXTDSY-MDNUFGMLSA-N 3 1 353.554 3.361 20 0 FGADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000446973225 501188926 /nfs/dbraw/zinc/18/89/26/501188926.db2.gz BZXUSMQHHSOETH-BRWVUGGUSA-N 2 1 374.422 3.404 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000450301228 501229052 /nfs/dbraw/zinc/22/90/52/501229052.db2.gz SXZZVUHKQQSYTF-HXUWFJFHSA-N 2 1 361.505 3.301 20 0 FGADMP Fc1ccc(C[NH+]2CCC[C@@]23CCOC3)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000450947950 501234364 /nfs/dbraw/zinc/23/43/64/501234364.db2.gz ZHGJSLBJOMGHCI-FCHUYYIVSA-N 2 1 374.500 3.336 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453070146 501262859 /nfs/dbraw/zinc/26/28/59/501262859.db2.gz MODGQLSAEYGMBJ-PMACEKPBSA-N 2 1 366.933 3.131 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090396 501267142 /nfs/dbraw/zinc/26/71/42/501267142.db2.gz OSJVQOUIMICCRW-IRXDYDNUSA-N 2 1 352.544 3.134 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090396 501267143 /nfs/dbraw/zinc/26/71/43/501267143.db2.gz OSJVQOUIMICCRW-IRXDYDNUSA-N 2 1 352.544 3.134 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106647 501270329 /nfs/dbraw/zinc/27/03/29/501270329.db2.gz ZAQXGFCXXYBKMB-IEBWSBKVSA-N 2 1 363.933 3.358 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)no1 ZINC000453129072 501275458 /nfs/dbraw/zinc/27/54/58/501275458.db2.gz DIIALLUAXBYGNB-IPMKNSEASA-N 2 1 354.498 3.207 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000457658698 501280310 /nfs/dbraw/zinc/28/03/10/501280310.db2.gz RKGSFGPBLQQXPF-KRWDZBQOSA-N 2 1 360.546 3.058 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453249684 501299043 /nfs/dbraw/zinc/29/90/43/501299043.db2.gz YNPHTFPERTYCLA-VSKRKVRLSA-N 2 1 372.553 3.462 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529106 501313634 /nfs/dbraw/zinc/31/36/34/501313634.db2.gz GJSGVRFPUTXWOE-ILWGZMRPSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529106 501313635 /nfs/dbraw/zinc/31/36/35/501313635.db2.gz GJSGVRFPUTXWOE-ILWGZMRPSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529106 501313637 /nfs/dbraw/zinc/31/36/37/501313637.db2.gz GJSGVRFPUTXWOE-ILWGZMRPSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529106 501313639 /nfs/dbraw/zinc/31/36/39/501313639.db2.gz GJSGVRFPUTXWOE-ILWGZMRPSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529106 501313641 /nfs/dbraw/zinc/31/36/41/501313641.db2.gz GJSGVRFPUTXWOE-ILWGZMRPSA-N 2 1 363.590 3.469 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407027 501325494 /nfs/dbraw/zinc/32/54/94/501325494.db2.gz RRAJHRNSROWPJL-KSEOMHKRSA-N 2 1 350.510 3.218 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329521 /nfs/dbraw/zinc/32/95/21/501329521.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329523 /nfs/dbraw/zinc/32/95/23/501329523.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451578755 501329526 /nfs/dbraw/zinc/32/95/26/501329526.db2.gz XMFRYLPFQOCPOO-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP COc1cc(Br)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000453593418 501356324 /nfs/dbraw/zinc/35/63/24/501356324.db2.gz ABCJLMVABHVXIM-UHFFFAOYSA-N 2 1 371.319 3.430 20 0 FGADMP Cc1cc(Br)c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000453596611 501357562 /nfs/dbraw/zinc/35/75/62/501357562.db2.gz XFNXXOGNBYVVDE-CYBMUJFWSA-N 2 1 361.349 3.146 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1scnc1C(C)C ZINC000455845236 501398961 /nfs/dbraw/zinc/39/89/61/501398961.db2.gz LSRJBFDOTOVXSB-OAHLLOKOSA-N 2 1 367.563 3.146 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367861 501428493 /nfs/dbraw/zinc/42/84/93/501428493.db2.gz IIVWOEZIWIPPCM-ROUUACIJSA-N 2 1 360.546 3.147 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452118450 501438962 /nfs/dbraw/zinc/43/89/62/501438962.db2.gz PCKVKUCWCABUSG-QGZVFWFLSA-N 2 1 374.447 3.083 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458670735 501504083 /nfs/dbraw/zinc/50/40/83/501504083.db2.gz IJUDKDCSGYAYRL-QUCCMNQESA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+](C)C ZINC000458783430 501530671 /nfs/dbraw/zinc/53/06/71/501530671.db2.gz VDQUKLKJGNTXQL-CBQOVEMMSA-N 2 1 372.557 3.114 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459260880 501620966 /nfs/dbraw/zinc/62/09/66/501620966.db2.gz KSVVNTBRXNUHFE-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000454773503 501627089 /nfs/dbraw/zinc/62/70/89/501627089.db2.gz PBYMECJDMPROQG-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000454773503 501627092 /nfs/dbraw/zinc/62/70/92/501627092.db2.gz PBYMECJDMPROQG-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459327144 501631695 /nfs/dbraw/zinc/63/16/95/501631695.db2.gz XKHTUFOACFIEBZ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327144 501631696 /nfs/dbraw/zinc/63/16/96/501631696.db2.gz XKHTUFOACFIEBZ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327144 501631698 /nfs/dbraw/zinc/63/16/98/501631698.db2.gz XKHTUFOACFIEBZ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459327141 501631774 /nfs/dbraw/zinc/63/17/74/501631774.db2.gz XKHTUFOACFIEBZ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327141 501631776 /nfs/dbraw/zinc/63/17/76/501631776.db2.gz XKHTUFOACFIEBZ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327141 501631777 /nfs/dbraw/zinc/63/17/77/501631777.db2.gz XKHTUFOACFIEBZ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459410961 501648868 /nfs/dbraw/zinc/64/88/68/501648868.db2.gz PMGARKDNNXRYJM-DNVCBOLYSA-N 2 1 352.482 3.060 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)CCOCC2CCCC2)[C@@H]1c1cnn(C)c1 ZINC000459411846 501648994 /nfs/dbraw/zinc/64/89/94/501648994.db2.gz JSABVOLAFADAKD-PZJWPPBQSA-N 2 1 362.562 3.332 20 0 FGADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459428463 501652483 /nfs/dbraw/zinc/65/24/83/501652483.db2.gz GXUYQUUCGMRVBQ-QGZVFWFLSA-N 2 1 373.541 3.259 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433415 501652989 /nfs/dbraw/zinc/65/29/89/501652989.db2.gz NJSHXYZEHHIWMG-CTNGQTDRSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433415 501652991 /nfs/dbraw/zinc/65/29/91/501652991.db2.gz NJSHXYZEHHIWMG-CTNGQTDRSA-N 2 1 358.913 3.355 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCOCC4CCCC4)CC3)C2)cc1 ZINC000459472538 501659285 /nfs/dbraw/zinc/65/92/85/501659285.db2.gz VVUHQAAIMJWLHV-HSZRJFAPSA-N 2 1 371.569 3.085 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCOCC4CCCC4)CC3)C2)cc1 ZINC000459472538 501659286 /nfs/dbraw/zinc/65/92/86/501659286.db2.gz VVUHQAAIMJWLHV-HSZRJFAPSA-N 2 1 371.569 3.085 20 0 FGADMP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000454960843 501662182 /nfs/dbraw/zinc/66/21/82/501662182.db2.gz MLFVZIIXJKQQPC-PXNSSMCTSA-N 2 1 352.482 3.161 20 0 FGADMP CNC(=O)CC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459537655 501672434 /nfs/dbraw/zinc/67/24/34/501672434.db2.gz SBOCPNNDFPXPJR-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@H]2COC[C@H]21)CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686192 501699246 /nfs/dbraw/zinc/69/92/46/501699246.db2.gz VKZDBIQCMMHEHV-UJOPUZHASA-N 2 1 374.569 3.159 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459686192 501699248 /nfs/dbraw/zinc/69/92/48/501699248.db2.gz VKZDBIQCMMHEHV-UJOPUZHASA-N 2 1 374.569 3.159 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459686192 501699249 /nfs/dbraw/zinc/69/92/49/501699249.db2.gz VKZDBIQCMMHEHV-UJOPUZHASA-N 2 1 374.569 3.159 20 0 FGADMP Cn1c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733430 501705834 /nfs/dbraw/zinc/70/58/34/501705834.db2.gz NMWMCHRYBZNWKF-ZDUSSCGKSA-N 2 1 354.420 3.414 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764049 501710770 /nfs/dbraw/zinc/71/07/70/501710770.db2.gz WNIQZMUJYBRLEN-COPCDDAFSA-N 2 1 368.521 3.271 20 0 FGADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000607805793 506269765 /nfs/dbraw/zinc/26/97/65/506269765.db2.gz JZMUWLZRZPOKPV-AWEZNQCLSA-N 2 1 358.873 3.229 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1I ZINC000467373202 501780710 /nfs/dbraw/zinc/78/07/10/501780710.db2.gz KDMSIPYXOUPOIX-SWLSCSKDSA-N 2 1 358.267 3.029 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000467378234 501781228 /nfs/dbraw/zinc/78/12/28/501781228.db2.gz UJGXDGOBWAZJLG-MAUKXSAKSA-N 2 1 358.448 3.463 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473869 501803598 /nfs/dbraw/zinc/80/35/98/501803598.db2.gz MDBUTOQNWDOVTN-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473869 501803605 /nfs/dbraw/zinc/80/36/05/501803605.db2.gz MDBUTOQNWDOVTN-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473869 501803611 /nfs/dbraw/zinc/80/36/11/501803611.db2.gz MDBUTOQNWDOVTN-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](Cc1ccco1)C1CCCC1)c1ccccc1 ZINC000460381073 501810490 /nfs/dbraw/zinc/81/04/90/501810490.db2.gz PZMRMVWZDUVNBM-NRFANRHFSA-N 2 1 369.509 3.443 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1ccco1)C1CCCC1)c1ccccc1 ZINC000460381073 501810493 /nfs/dbraw/zinc/81/04/93/501810493.db2.gz PZMRMVWZDUVNBM-NRFANRHFSA-N 2 1 369.509 3.443 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000611728254 506275083 /nfs/dbraw/zinc/27/50/83/506275083.db2.gz GUHWKHNQSRISBI-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000611728254 506275092 /nfs/dbraw/zinc/27/50/92/506275092.db2.gz GUHWKHNQSRISBI-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000611728254 506275102 /nfs/dbraw/zinc/27/51/02/506275102.db2.gz GUHWKHNQSRISBI-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@H](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000474439365 501837284 /nfs/dbraw/zinc/83/72/84/501837284.db2.gz MBWUDSFHMKHBFF-KMFTYDHNSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000470974843 501879025 /nfs/dbraw/zinc/87/90/25/501879025.db2.gz FIHPUQYOVGYTOS-LEWJYISDSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000470974843 501879031 /nfs/dbraw/zinc/87/90/31/501879031.db2.gz FIHPUQYOVGYTOS-LEWJYISDSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974843 501879039 /nfs/dbraw/zinc/87/90/39/501879039.db2.gz FIHPUQYOVGYTOS-LEWJYISDSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974843 501879043 /nfs/dbraw/zinc/87/90/43/501879043.db2.gz FIHPUQYOVGYTOS-LEWJYISDSA-N 2 1 360.542 3.015 20 0 FGADMP CC(C)C[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597672 501887926 /nfs/dbraw/zinc/88/79/26/501887926.db2.gz NBRXOOIGWMQUKO-SFTDATJTSA-N 2 1 359.558 3.349 20 0 FGADMP CC(C)C[C@@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597672 501887933 /nfs/dbraw/zinc/88/79/33/501887933.db2.gz NBRXOOIGWMQUKO-SFTDATJTSA-N 2 1 359.558 3.349 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000485665764 501893314 /nfs/dbraw/zinc/89/33/14/501893314.db2.gz DBADXLXUOXRTHR-UHFFFAOYSA-N 2 1 367.921 3.483 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000467866042 501894314 /nfs/dbraw/zinc/89/43/14/501894314.db2.gz SGMGYZBRFKJTLZ-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000481921507 501918531 /nfs/dbraw/zinc/91/85/31/501918531.db2.gz HEKZZTJTOURKPQ-MRXNPFEDSA-N 2 1 357.464 3.254 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000468018676 501931291 /nfs/dbraw/zinc/93/12/91/501931291.db2.gz ACBYEWGZGNPFRS-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP CN(C)c1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987973 501936921 /nfs/dbraw/zinc/93/69/21/501936921.db2.gz DKTVHRHVLJMJHS-MOPGFXCFSA-N 2 1 351.498 3.034 20 0 FGADMP CN(C)c1nc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987973 501936926 /nfs/dbraw/zinc/93/69/26/501936926.db2.gz DKTVHRHVLJMJHS-MOPGFXCFSA-N 2 1 351.498 3.034 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019221 501948620 /nfs/dbraw/zinc/94/86/20/501948620.db2.gz MILMYAUOFRYNTR-NJYVYQBISA-N 2 1 373.541 3.210 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019221 501948622 /nfs/dbraw/zinc/94/86/22/501948622.db2.gz MILMYAUOFRYNTR-NJYVYQBISA-N 2 1 373.541 3.210 20 0 FGADMP CC[C@@]1(C)CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113666 501961254 /nfs/dbraw/zinc/96/12/54/501961254.db2.gz QBPRBKDWTZPADC-GCJKJVERSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC[C@@H]3C)cc2)C[C@H]1C ZINC000474876030 501977998 /nfs/dbraw/zinc/97/79/98/501977998.db2.gz IWPLOZVRMKQHDD-LMVRJCEZSA-N 2 1 360.542 3.210 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756662 506286050 /nfs/dbraw/zinc/28/60/50/506286050.db2.gz BFGYTZVPTFWKCQ-IRLDBZIGSA-N 2 1 369.553 3.056 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550641 502025619 /nfs/dbraw/zinc/02/56/19/502025619.db2.gz HEFGOVOWZRBZAD-MAUKXSAKSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550641 502025621 /nfs/dbraw/zinc/02/56/21/502025621.db2.gz HEFGOVOWZRBZAD-MAUKXSAKSA-N 2 1 351.922 3.133 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464643970 502052723 /nfs/dbraw/zinc/05/27/23/502052723.db2.gz QCSYKHFQDSQGFS-MAUKXSAKSA-N 2 1 351.922 3.133 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c(C)oc2ccccc21 ZINC000464654921 502057038 /nfs/dbraw/zinc/05/70/38/502057038.db2.gz CNHIFFHGCBTRST-KRWDZBQOSA-N 2 1 357.498 3.229 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCCC[C@H]1C ZINC000468467391 502068062 /nfs/dbraw/zinc/06/80/62/502068062.db2.gz AKOVAMKZXZCLCH-SJORKVTESA-N 2 1 352.482 3.240 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000482508614 502093359 /nfs/dbraw/zinc/09/33/59/502093359.db2.gz LPNXSLWMBTZNQX-ZWKOTPCHSA-N 2 1 361.530 3.187 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2ccccc2c1C ZINC000482525194 502099263 /nfs/dbraw/zinc/09/92/63/502099263.db2.gz QVNLYWMIVPUXHE-GOSISDBHSA-N 2 1 368.525 3.031 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830460 502110897 /nfs/dbraw/zinc/11/08/97/502110897.db2.gz OIMWJTIUQKAZHJ-UXHICEINSA-N 2 1 366.594 3.020 20 0 FGADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838496 502112986 /nfs/dbraw/zinc/11/29/86/502112986.db2.gz WLHONCMGXJPYQD-OXJNMPFZSA-N 2 1 373.541 3.358 20 0 FGADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838496 502112991 /nfs/dbraw/zinc/11/29/91/502112991.db2.gz WLHONCMGXJPYQD-OXJNMPFZSA-N 2 1 373.541 3.358 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595106 502121546 /nfs/dbraw/zinc/12/15/46/502121546.db2.gz WQMGAEWIUPXZSW-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000461469556 502127068 /nfs/dbraw/zinc/12/70/68/502127068.db2.gz LSHQWYRJVPTSNF-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000461469556 502127071 /nfs/dbraw/zinc/12/70/71/502127071.db2.gz LSHQWYRJVPTSNF-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000461469556 502127076 /nfs/dbraw/zinc/12/70/76/502127076.db2.gz LSHQWYRJVPTSNF-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207210 502193239 /nfs/dbraw/zinc/19/32/39/502193239.db2.gz IQYPZPDEMRRHKF-TYCQWZJGSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000479270109 502212238 /nfs/dbraw/zinc/21/22/38/502212238.db2.gz DNHIUCSLLVQOHH-CGBFIWBNSA-N 2 1 360.546 3.240 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221493 502219314 /nfs/dbraw/zinc/21/93/14/502219314.db2.gz PWRDVOYMIUGVBC-CTNGQTDRSA-N 2 1 374.573 3.129 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000468928172 502232594 /nfs/dbraw/zinc/23/25/94/502232594.db2.gz LQFJNPFVCAEPSH-AVRDEDQJSA-N 2 1 364.537 3.464 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000468928172 502232600 /nfs/dbraw/zinc/23/26/00/502232600.db2.gz LQFJNPFVCAEPSH-AVRDEDQJSA-N 2 1 364.537 3.464 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472110106 502234706 /nfs/dbraw/zinc/23/47/06/502234706.db2.gz HMEBYFWBMLPWCT-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461917526 502236330 /nfs/dbraw/zinc/23/63/30/502236330.db2.gz XCEDDRDQRFNVMO-UHFFFAOYSA-N 2 1 370.497 3.041 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461917526 502236333 /nfs/dbraw/zinc/23/63/33/502236333.db2.gz XCEDDRDQRFNVMO-UHFFFAOYSA-N 2 1 370.497 3.041 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472114645 502237716 /nfs/dbraw/zinc/23/77/16/502237716.db2.gz GOSAIUIBAIPQJE-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461977289 502260669 /nfs/dbraw/zinc/26/06/69/502260669.db2.gz MXBLHVVQNARPRW-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1)CC1CC1 ZINC000602797133 506303746 /nfs/dbraw/zinc/30/37/46/506303746.db2.gz IAKHOFQNWDGUJU-OAHLLOKOSA-N 2 1 363.502 3.356 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1)CC1CC1 ZINC000602797133 506303750 /nfs/dbraw/zinc/30/37/50/506303750.db2.gz IAKHOFQNWDGUJU-OAHLLOKOSA-N 2 1 363.502 3.356 20 0 FGADMP CCC[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486845496 502282252 /nfs/dbraw/zinc/28/22/52/502282252.db2.gz WALBDUGQAOCGQK-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC[NH+]1C ZINC000479537709 502290130 /nfs/dbraw/zinc/29/01/30/502290130.db2.gz OHAIULJYAAXFIP-NSHGMRRFSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000479537709 502290133 /nfs/dbraw/zinc/29/01/33/502290133.db2.gz OHAIULJYAAXFIP-NSHGMRRFSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000479537709 502290134 /nfs/dbraw/zinc/29/01/34/502290134.db2.gz OHAIULJYAAXFIP-NSHGMRRFSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000469086569 502292363 /nfs/dbraw/zinc/29/23/63/502292363.db2.gz SSYSNNORANUNNH-SQNIBIBYSA-N 2 1 361.530 3.186 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000472281086 502297081 /nfs/dbraw/zinc/29/70/81/502297081.db2.gz XBRHYGQOINFNQT-SFHVURJKSA-N 2 1 374.481 3.152 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281883 502298233 /nfs/dbraw/zinc/29/82/33/502298233.db2.gz CTHOETFLLGUBJW-QAPCUYQASA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281883 502298238 /nfs/dbraw/zinc/29/82/38/502298238.db2.gz CTHOETFLLGUBJW-QAPCUYQASA-N 2 1 367.921 3.100 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000462115146 502311556 /nfs/dbraw/zinc/31/15/56/502311556.db2.gz DASLLTQQZXSXHE-NHCUHLMSSA-N 2 1 356.897 3.034 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115146 502311561 /nfs/dbraw/zinc/31/15/61/502311561.db2.gz DASLLTQQZXSXHE-NHCUHLMSSA-N 2 1 356.897 3.034 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+]1C ZINC000465604116 502323082 /nfs/dbraw/zinc/32/30/82/502323082.db2.gz ULESXYCBWJUPGX-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620079 502328307 /nfs/dbraw/zinc/32/83/07/502328307.db2.gz UNBZDUHOTRFQHG-LEWJYISDSA-N 2 1 374.573 3.441 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037745 502337392 /nfs/dbraw/zinc/33/73/92/502337392.db2.gz ROLCXHWICBQVMV-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487037745 502337399 /nfs/dbraw/zinc/33/73/99/502337399.db2.gz ROLCXHWICBQVMV-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487037745 502337405 /nfs/dbraw/zinc/33/74/05/502337405.db2.gz ROLCXHWICBQVMV-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)n2)c1 ZINC000479671767 502339785 /nfs/dbraw/zinc/33/97/85/502339785.db2.gz HQCHTGLFQRGKLP-KRWDZBQOSA-N 2 1 358.461 3.445 20 0 FGADMP Fc1ccc(-c2noc([C@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000479671213 502339807 /nfs/dbraw/zinc/33/98/07/502339807.db2.gz FUDYASDUJNXXCA-KRWDZBQOSA-N 2 1 358.461 3.445 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000465727644 502360921 /nfs/dbraw/zinc/36/09/21/502360921.db2.gz QYFHAQJVRVZQOQ-HBFSDRIKSA-N 2 1 352.567 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851626 502397167 /nfs/dbraw/zinc/39/71/67/502397167.db2.gz OOIVXOUJCIEFCJ-YYWHXJBOSA-N 2 1 365.537 3.155 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000465928080 502431123 /nfs/dbraw/zinc/43/11/23/502431123.db2.gz QWLVAEJMWKDDDY-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000483682972 502461754 /nfs/dbraw/zinc/46/17/54/502461754.db2.gz LFSZDWIXBLMFQO-FHWLQOOXSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000483682972 502461759 /nfs/dbraw/zinc/46/17/59/502461759.db2.gz LFSZDWIXBLMFQO-FHWLQOOXSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000483682972 502461764 /nfs/dbraw/zinc/46/17/64/502461764.db2.gz LFSZDWIXBLMFQO-FHWLQOOXSA-N 2 1 352.567 3.155 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466042108 502463611 /nfs/dbraw/zinc/46/36/11/502463611.db2.gz XNRWRFBOHMIXEG-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042108 502463619 /nfs/dbraw/zinc/46/36/19/502463619.db2.gz XNRWRFBOHMIXEG-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042108 502463629 /nfs/dbraw/zinc/46/36/29/502463629.db2.gz XNRWRFBOHMIXEG-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462535743 502478984 /nfs/dbraw/zinc/47/89/84/502478984.db2.gz QBAVOTFOAOOQEH-GUDVDZBRSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462535743 502478990 /nfs/dbraw/zinc/47/89/90/502478990.db2.gz QBAVOTFOAOOQEH-GUDVDZBRSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462535743 502478996 /nfs/dbraw/zinc/47/89/96/502478996.db2.gz QBAVOTFOAOOQEH-GUDVDZBRSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000483744854 502482026 /nfs/dbraw/zinc/48/20/26/502482026.db2.gz KPYUCHXNEAXQHG-FXAWDEMLSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000483744854 502482030 /nfs/dbraw/zinc/48/20/30/502482030.db2.gz KPYUCHXNEAXQHG-FXAWDEMLSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000483744854 502482033 /nfs/dbraw/zinc/48/20/33/502482033.db2.gz KPYUCHXNEAXQHG-FXAWDEMLSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000472982123 502491051 /nfs/dbraw/zinc/49/10/51/502491051.db2.gz ASYPZFMVXXDUAD-LJQANCHMSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588709448 506317035 /nfs/dbraw/zinc/31/70/35/506317035.db2.gz BMYRGJNCNFEVST-CALCHBBNSA-N 2 1 350.478 3.026 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(Cl)cn3)cn2)CC1 ZINC000480273619 502521429 /nfs/dbraw/zinc/52/14/29/502521429.db2.gz IUSXDEHGPYWZNJ-OAHLLOKOSA-N 2 1 359.905 3.123 20 0 FGADMP O=C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330473 502539120 /nfs/dbraw/zinc/53/91/20/502539120.db2.gz HFMZMZWIFUVRLA-ADYITMSISA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466330473 502539125 /nfs/dbraw/zinc/53/91/25/502539125.db2.gz HFMZMZWIFUVRLA-ADYITMSISA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466330473 502539129 /nfs/dbraw/zinc/53/91/29/502539129.db2.gz HFMZMZWIFUVRLA-ADYITMSISA-N 2 1 367.537 3.032 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000469851548 502567821 /nfs/dbraw/zinc/56/78/21/502567821.db2.gz YWERBRJLUVIZLP-OCCSQVGLSA-N 2 1 363.303 3.112 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000469861926 502571947 /nfs/dbraw/zinc/57/19/47/502571947.db2.gz LTBJHQGPEPYVPH-JSGCOSHPSA-N 2 1 363.303 3.112 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000462785701 502572643 /nfs/dbraw/zinc/57/26/43/502572643.db2.gz RHOKFMNLFJQCCS-STZQEDGTSA-N 2 1 358.526 3.204 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124059 502575460 /nfs/dbraw/zinc/57/54/60/502575460.db2.gz AEWRIWUTCIXNPR-JTSKRJEESA-N 2 1 352.478 3.004 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124059 502575462 /nfs/dbraw/zinc/57/54/62/502575462.db2.gz AEWRIWUTCIXNPR-JTSKRJEESA-N 2 1 352.478 3.004 20 0 FGADMP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462810064 502583480 /nfs/dbraw/zinc/58/34/80/502583480.db2.gz SWJNANZGJQRUQO-MJGOQNOKSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462810064 502583486 /nfs/dbraw/zinc/58/34/86/502583486.db2.gz SWJNANZGJQRUQO-MJGOQNOKSA-N 2 1 352.526 3.299 20 0 FGADMP CCOc1cc2[nH+]ccc(N3CC[N@@H+](CCOC)[C@@H](C)C3)c2cc1OCC ZINC000462808925 502584613 /nfs/dbraw/zinc/58/46/13/502584613.db2.gz QIXPLWLEUKNJCI-INIZCTEOSA-N 2 1 373.497 3.189 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCc2c1cccc2F ZINC000484149094 502584757 /nfs/dbraw/zinc/58/47/57/502584757.db2.gz SUYOPPKGLBGAHV-MTNREXPMSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814603 502586050 /nfs/dbraw/zinc/58/60/50/502586050.db2.gz VHOZJGBWKLPKCT-YLJYHZDGSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814603 502586053 /nfs/dbraw/zinc/58/60/53/502586053.db2.gz VHOZJGBWKLPKCT-YLJYHZDGSA-N 2 1 352.526 3.299 20 0 FGADMP COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484161192 502589693 /nfs/dbraw/zinc/58/96/93/502589693.db2.gz NNLXEZRQVRSNNG-UCNVEGJOSA-N 2 1 354.494 3.229 20 0 FGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163887 502590864 /nfs/dbraw/zinc/59/08/64/502590864.db2.gz QOSVZUKGKWJUHS-YADHBBJMSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163887 502590865 /nfs/dbraw/zinc/59/08/65/502590865.db2.gz QOSVZUKGKWJUHS-YADHBBJMSA-N 2 1 354.494 3.373 20 0 FGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480596629 502615320 /nfs/dbraw/zinc/61/53/20/502615320.db2.gz WGQUAAWMPIGFHI-FPOVZHCZSA-N 2 1 359.558 3.303 20 0 FGADMP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480625023 502626540 /nfs/dbraw/zinc/62/65/40/502626540.db2.gz ZXQGLOWGDRHVII-SFHVURJKSA-N 2 1 365.521 3.487 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)CC(C)C ZINC000488211526 502659170 /nfs/dbraw/zinc/65/91/70/502659170.db2.gz ANKJHTLUMFPYNI-ICSRJNTNSA-N 2 1 366.594 3.259 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000480761355 502663053 /nfs/dbraw/zinc/66/30/53/502663053.db2.gz SIJUPGRTGLNWNA-ONTIZHBOSA-N 2 1 359.558 3.240 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225708 502713018 /nfs/dbraw/zinc/71/30/18/502713018.db2.gz WJZOGPNQIKCAGF-MOPGFXCFSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000477225708 502713024 /nfs/dbraw/zinc/71/30/24/502713024.db2.gz WJZOGPNQIKCAGF-MOPGFXCFSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000477225708 502713027 /nfs/dbraw/zinc/71/30/27/502713027.db2.gz WJZOGPNQIKCAGF-MOPGFXCFSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCO)CC[N@@H+]1Cc1ccccc1 ZINC000463193326 502716807 /nfs/dbraw/zinc/71/68/07/502716807.db2.gz RYXRPOVVTLLVNQ-NQIIRXRSSA-N 2 1 354.494 3.200 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCCO)CC[N@H+]1Cc1ccccc1 ZINC000463193326 502716812 /nfs/dbraw/zinc/71/68/12/502716812.db2.gz RYXRPOVVTLLVNQ-NQIIRXRSSA-N 2 1 354.494 3.200 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C[NH+]1CCCC1 ZINC000481025077 502731690 /nfs/dbraw/zinc/73/16/90/502731690.db2.gz POXWQCVDKCBWCK-IRXDYDNUSA-N 2 1 357.523 3.234 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027759 502733378 /nfs/dbraw/zinc/73/33/78/502733378.db2.gz VKFLDEICIWXRGJ-HIFRSBDPSA-N 2 1 362.461 3.448 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000473886740 502738539 /nfs/dbraw/zinc/73/85/39/502738539.db2.gz SNRXXJKWTDAWJU-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000473886740 502738541 /nfs/dbraw/zinc/73/85/41/502738541.db2.gz SNRXXJKWTDAWJU-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000473886740 502738542 /nfs/dbraw/zinc/73/85/42/502738542.db2.gz SNRXXJKWTDAWJU-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000463270297 502741808 /nfs/dbraw/zinc/74/18/08/502741808.db2.gz FZDFAIQALYXMBS-JWUVWSEFSA-N 2 1 360.542 3.195 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000463270297 502741815 /nfs/dbraw/zinc/74/18/15/502741815.db2.gz FZDFAIQALYXMBS-JWUVWSEFSA-N 2 1 360.542 3.195 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474042568 502787842 /nfs/dbraw/zinc/78/78/42/502787842.db2.gz YBCZEQNHICYGCZ-JYRKZWEQSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474042568 502787848 /nfs/dbraw/zinc/78/78/48/502787848.db2.gz YBCZEQNHICYGCZ-JYRKZWEQSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474042568 502787852 /nfs/dbraw/zinc/78/78/52/502787852.db2.gz YBCZEQNHICYGCZ-JYRKZWEQSA-N 2 1 372.557 3.336 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000504880641 502817703 /nfs/dbraw/zinc/81/77/03/502817703.db2.gz CYAYFOPWHXOJRM-FQEVSTJZSA-N 2 1 360.546 3.069 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc(Br)c1O ZINC000513068721 502843846 /nfs/dbraw/zinc/84/38/46/502843846.db2.gz IHLYZCROBPFQLM-CYBMUJFWSA-N 2 1 371.319 3.375 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072132 502844758 /nfs/dbraw/zinc/84/47/58/502844758.db2.gz YVBPCHFONNCDNR-UGKGYDQZSA-N 2 1 365.521 3.336 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072132 502844762 /nfs/dbraw/zinc/84/47/62/502844762.db2.gz YVBPCHFONNCDNR-UGKGYDQZSA-N 2 1 365.521 3.336 20 0 FGADMP C[NH+]1CCC(CCNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489042613 502866983 /nfs/dbraw/zinc/86/69/83/502866983.db2.gz MOCOVAQBFKMCQU-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000513203904 502877277 /nfs/dbraw/zinc/87/72/77/502877277.db2.gz MHFBHVKIUUICLS-UHFFFAOYSA-N 2 1 351.579 3.263 20 0 FGADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505270078 502879969 /nfs/dbraw/zinc/87/99/69/502879969.db2.gz FGTJIAYJWRRQKR-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505270078 502879971 /nfs/dbraw/zinc/87/99/71/502879971.db2.gz FGTJIAYJWRRQKR-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP CCc1ccc([C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)CC[NH2+]2)cc1 ZINC000505467464 502909647 /nfs/dbraw/zinc/90/96/47/502909647.db2.gz GBHYNUZCCQTLMK-NRFANRHFSA-N 2 1 351.494 3.097 20 0 FGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006843 502910484 /nfs/dbraw/zinc/91/04/84/502910484.db2.gz ITAKBEJFKPKUDI-PMACEKPBSA-N 2 1 353.595 3.318 20 0 FGADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501010312 502911975 /nfs/dbraw/zinc/91/19/75/502911975.db2.gz JMVUKEOSMBFPJD-INIZCTEOSA-N 2 1 357.464 3.378 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032505 502917011 /nfs/dbraw/zinc/91/70/11/502917011.db2.gz PQKKDUCYZBFHPK-QZTJIDSGSA-N 2 1 358.530 3.019 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000497113469 502921908 /nfs/dbraw/zinc/92/19/08/502921908.db2.gz HWOUUXMWYKBQEJ-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298221 502930456 /nfs/dbraw/zinc/93/04/56/502930456.db2.gz XYUNVEYDKXHZFY-JXFKEZNVSA-N 2 1 353.466 3.046 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000489528140 502980001 /nfs/dbraw/zinc/98/00/01/502980001.db2.gz ISHULCPQKYQNJV-HOJAQTOUSA-N 2 1 360.546 3.069 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000489604388 502996186 /nfs/dbraw/zinc/99/61/86/502996186.db2.gz XTOPQCROMAPFNT-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489604388 502996192 /nfs/dbraw/zinc/99/61/92/502996192.db2.gz XTOPQCROMAPFNT-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489604388 502996196 /nfs/dbraw/zinc/99/61/96/502996196.db2.gz XTOPQCROMAPFNT-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388314 502999073 /nfs/dbraw/zinc/99/90/73/502999073.db2.gz UCVCAEMMOMFERP-JBACZVJFSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388314 502999075 /nfs/dbraw/zinc/99/90/75/502999075.db2.gz UCVCAEMMOMFERP-JBACZVJFSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501388314 502999079 /nfs/dbraw/zinc/99/90/79/502999079.db2.gz UCVCAEMMOMFERP-JBACZVJFSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[NH+]2CCCC2)cc1 ZINC000513760203 503017951 /nfs/dbraw/zinc/01/79/51/503017951.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760203 503017953 /nfs/dbraw/zinc/01/79/53/503017953.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760203 503017956 /nfs/dbraw/zinc/01/79/56/503017956.db2.gz ILWAKTFCJHZHDB-CBPXPLCBSA-N 2 1 357.542 3.295 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000497729381 503026756 /nfs/dbraw/zinc/02/67/56/503026756.db2.gz TXWWYXZMAURNCT-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000501533605 503031650 /nfs/dbraw/zinc/03/16/50/503031650.db2.gz SAMRWYPAJUXSTI-RTBURBONSA-N 2 1 372.557 3.345 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489786367 503034942 /nfs/dbraw/zinc/03/49/42/503034942.db2.gz BGOFNMQLZNANLK-HBMCJLEFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000501573998 503041517 /nfs/dbraw/zinc/04/15/17/503041517.db2.gz AHBHEKHSVNKOKD-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000501595918 503046233 /nfs/dbraw/zinc/04/62/33/503046233.db2.gz PBBAHAULIQCXIJ-RTBURBONSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000501595915 503046502 /nfs/dbraw/zinc/04/65/02/503046502.db2.gz PBBAHAULIQCXIJ-MOPGFXCFSA-N 2 1 357.542 3.228 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510097547 503049108 /nfs/dbraw/zinc/04/91/08/503049108.db2.gz GUONVNQJSBZZQM-QFIPXVFZSA-N 2 1 357.542 3.031 20 0 FGADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000501777939 503078389 /nfs/dbraw/zinc/07/83/89/503078389.db2.gz VCGXNHAUOJAHKE-UHFFFAOYSA-N 2 1 365.484 3.087 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OCc1ccncc1 ZINC000489986567 503082578 /nfs/dbraw/zinc/08/25/78/503082578.db2.gz FUKCOVKKPGCORJ-LJQANCHMSA-N 2 1 355.482 3.373 20 0 FGADMP CCC[N@H+](CCc1cccnc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514112833 503090851 /nfs/dbraw/zinc/09/08/51/503090851.db2.gz KEABAAKNRWXKKW-UHFFFAOYSA-N 2 1 353.514 3.412 20 0 FGADMP CCC[N@@H+](CCc1cccnc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000514112833 503090854 /nfs/dbraw/zinc/09/08/54/503090854.db2.gz KEABAAKNRWXKKW-UHFFFAOYSA-N 2 1 353.514 3.412 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000514126127 503094635 /nfs/dbraw/zinc/09/46/35/503094635.db2.gz DJQBCNYQNUXUMP-KDURUIRLSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000498054564 503097049 /nfs/dbraw/zinc/09/70/49/503097049.db2.gz PDGAJDRWHRGENZ-WIYYLYMNSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000490107372 503110257 /nfs/dbraw/zinc/11/02/57/503110257.db2.gz RSFPQVKEEDGVOJ-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000490107372 503110262 /nfs/dbraw/zinc/11/02/62/503110262.db2.gz RSFPQVKEEDGVOJ-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000490107372 503110267 /nfs/dbraw/zinc/11/02/67/503110267.db2.gz RSFPQVKEEDGVOJ-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000514214227 503115064 /nfs/dbraw/zinc/11/50/64/503115064.db2.gz LZSRBHUFARSHPX-HNNXBMFYSA-N 2 1 359.901 3.308 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCN2CCC(O)CC2)c2ccc(F)cc2)cc1 ZINC000490156489 503119196 /nfs/dbraw/zinc/11/91/96/503119196.db2.gz JBUREXKPEKAMHA-QFIPXVFZSA-N 2 1 372.484 3.360 20 0 FGADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000514588191 503143089 /nfs/dbraw/zinc/14/30/89/503143089.db2.gz YFQNVZYWKXQHRI-HUUJSLGLSA-N 2 1 354.498 3.377 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000498254658 503143231 /nfs/dbraw/zinc/14/32/31/503143231.db2.gz VYQWRKGTMYPQFK-YOUFYPILSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000498254658 503143232 /nfs/dbraw/zinc/14/32/32/503143232.db2.gz VYQWRKGTMYPQFK-YOUFYPILSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H]1C ZINC000498254658 503143234 /nfs/dbraw/zinc/14/32/34/503143234.db2.gz VYQWRKGTMYPQFK-YOUFYPILSA-N 2 1 372.557 3.164 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC000514636628 503154724 /nfs/dbraw/zinc/15/47/24/503154724.db2.gz AUUGJGLYCCPVNS-UYAOXDASSA-N 2 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC000514636628 503154728 /nfs/dbraw/zinc/15/47/28/503154728.db2.gz AUUGJGLYCCPVNS-UYAOXDASSA-N 2 1 361.599 3.314 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)c2)C1 ZINC000510673222 503169911 /nfs/dbraw/zinc/16/99/11/503169911.db2.gz ZUYNTFMZFOXNLX-HKBOAZHASA-N 2 1 355.526 3.052 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000502281574 503174097 /nfs/dbraw/zinc/17/40/97/503174097.db2.gz YGDIYQWSXBZTNW-JOCHJYFZSA-N 2 1 371.569 3.263 20 0 FGADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000514735431 503180134 /nfs/dbraw/zinc/18/01/34/503180134.db2.gz DCQAKKLCKLQVJA-OAQYLSRUSA-N 2 1 364.493 3.071 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506828174 503180143 /nfs/dbraw/zinc/18/01/43/503180143.db2.gz SOJPPXDAIAUVEZ-HSALFYBXSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506828174 503180147 /nfs/dbraw/zinc/18/01/47/503180147.db2.gz SOJPPXDAIAUVEZ-HSALFYBXSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506828174 503180150 /nfs/dbraw/zinc/18/01/50/503180150.db2.gz SOJPPXDAIAUVEZ-HSALFYBXSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506905187 503192151 /nfs/dbraw/zinc/19/21/51/503192151.db2.gz ZEGCPMBEAPWEQL-UXHICEINSA-N 2 1 366.594 3.401 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000498505890 503198400 /nfs/dbraw/zinc/19/84/00/503198400.db2.gz NUMPDBCMHVHFQF-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP Brc1ccc(C[N@@H+](CC[C@@H]2CCCO2)CCn2ccnc2)o1 ZINC000510923326 503218053 /nfs/dbraw/zinc/21/80/53/503218053.db2.gz YCAADOQEKXJOJH-AWEZNQCLSA-N 2 1 368.275 3.310 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000498597159 503223669 /nfs/dbraw/zinc/22/36/69/503223669.db2.gz DHIBBQNLZCFYQO-NHCUHLMSSA-N 2 1 369.484 3.209 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](CCN2CCCCCC2)C2CCC2)CC1 ZINC000514959171 503236305 /nfs/dbraw/zinc/23/63/05/503236305.db2.gz PNNLJXGHTAXQTD-UHFFFAOYSA-N 2 1 364.622 3.133 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCN2CCCCCC2)C2CCC2)CC1 ZINC000514959171 503236306 /nfs/dbraw/zinc/23/63/06/503236306.db2.gz PNNLJXGHTAXQTD-UHFFFAOYSA-N 2 1 364.622 3.133 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@H+]3CCC[C@@H](C)C3)CC2)CC1 ZINC000502632179 503241447 /nfs/dbraw/zinc/24/14/47/503241447.db2.gz TVBGNLOMNQSIFW-XEVCZEQESA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000511095580 503252372 /nfs/dbraw/zinc/25/23/72/503252372.db2.gz WUMFUFSOBRBTLY-INIZCTEOSA-N 2 1 365.477 3.333 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000515276502 503305401 /nfs/dbraw/zinc/30/54/01/503305401.db2.gz YQHUKKNXSGXCRR-CQSZACIVSA-N 2 1 373.570 3.111 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000515276502 503305406 /nfs/dbraw/zinc/30/54/06/503305406.db2.gz YQHUKKNXSGXCRR-CQSZACIVSA-N 2 1 373.570 3.111 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000507486194 503307691 /nfs/dbraw/zinc/30/76/91/503307691.db2.gz OCVOZCVSGXYNSZ-KRWDZBQOSA-N 2 1 353.510 3.452 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCOC3)CC2)cs1 ZINC000507515123 503312540 /nfs/dbraw/zinc/31/25/40/503312540.db2.gz URWIJHMGFSVWHH-WBVHZDCISA-N 2 1 351.560 3.322 20 0 FGADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507518568 503313265 /nfs/dbraw/zinc/31/32/65/503313265.db2.gz DKQGNIRUWYDNNR-XXTHSBEZSA-N 2 1 368.496 3.229 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c2ccccc2)CC1 ZINC000503055759 503337441 /nfs/dbraw/zinc/33/74/41/503337441.db2.gz PIPAKZCBXKNJJH-PZJWPPBQSA-N 2 1 372.557 3.195 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499149721 503344791 /nfs/dbraw/zinc/34/47/91/503344791.db2.gz HGMWOTMJDPMKMB-DKUWSORSSA-N 2 1 363.505 3.331 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492510955 503372042 /nfs/dbraw/zinc/37/20/42/503372042.db2.gz AHVKGALECDPWCJ-UTKZUKDTSA-N 2 1 352.478 3.473 20 0 FGADMP O=C(NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000515843973 503411307 /nfs/dbraw/zinc/41/13/07/503411307.db2.gz HIHTYSUIBLIMAY-SFHVURJKSA-N 2 1 369.534 3.265 20 0 FGADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000515843973 503411311 /nfs/dbraw/zinc/41/13/11/503411311.db2.gz HIHTYSUIBLIMAY-SFHVURJKSA-N 2 1 369.534 3.265 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000503520356 503427523 /nfs/dbraw/zinc/42/75/23/503427523.db2.gz DLHWEWHTSZXNFR-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000503520356 503427527 /nfs/dbraw/zinc/42/75/27/503427527.db2.gz DLHWEWHTSZXNFR-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000503650990 503451720 /nfs/dbraw/zinc/45/17/20/503451720.db2.gz SSWDEXHONCZEHS-FQEVSTJZSA-N 2 1 372.557 3.420 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Br)s2)s1 ZINC000512097820 503456501 /nfs/dbraw/zinc/45/65/01/503456501.db2.gz GAFCINHAEHXMCL-UHFFFAOYSA-N 2 1 360.346 3.361 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000516163696 503459538 /nfs/dbraw/zinc/45/95/38/503459538.db2.gz QSNDCBHNSSJSAD-BHIYHBOVSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000516163696 503459542 /nfs/dbraw/zinc/45/95/42/503459542.db2.gz QSNDCBHNSSJSAD-BHIYHBOVSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935214 503461305 /nfs/dbraw/zinc/46/13/05/503461305.db2.gz HSAIJMIJOYPOCK-XMSQKQJNSA-N 2 1 366.505 3.391 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935214 503461309 /nfs/dbraw/zinc/46/13/09/503461309.db2.gz HSAIJMIJOYPOCK-XMSQKQJNSA-N 2 1 366.505 3.391 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)c1 ZINC000512167325 503474684 /nfs/dbraw/zinc/47/46/84/503474684.db2.gz QNJNAPLZPYODJN-OAQYLSRUSA-N 2 1 363.505 3.285 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000512167325 503474687 /nfs/dbraw/zinc/47/46/87/503474687.db2.gz QNJNAPLZPYODJN-OAQYLSRUSA-N 2 1 363.505 3.285 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000512167325 503474689 /nfs/dbraw/zinc/47/46/89/503474689.db2.gz QNJNAPLZPYODJN-OAQYLSRUSA-N 2 1 363.505 3.285 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494079381 503484241 /nfs/dbraw/zinc/48/42/41/503484241.db2.gz NPBPQKZLJZVOMN-UZKOGDIHSA-N 2 1 369.553 3.420 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000494415886 503538575 /nfs/dbraw/zinc/53/85/75/503538575.db2.gz ZFMZUFFUQYUWIN-UHFFFAOYSA-N 2 1 364.415 3.302 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000512421863 503544744 /nfs/dbraw/zinc/54/47/44/503544744.db2.gz WGAWDLMRXUCGDK-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000500113458 503556765 /nfs/dbraw/zinc/55/67/65/503556765.db2.gz VCFVUVWWBDYDBC-GHOZHQTGSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000494601082 503572254 /nfs/dbraw/zinc/57/22/54/503572254.db2.gz LAJGJONHAMNGON-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182978 503573056 /nfs/dbraw/zinc/57/30/56/503573056.db2.gz MIIOKXNGMYIKIJ-QKNQBKEWSA-N 2 1 374.573 3.345 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494654365 503584890 /nfs/dbraw/zinc/58/48/90/503584890.db2.gz NLDXEWQHELDGDP-WOJBJXKFSA-N 2 1 357.542 3.108 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000516845775 503598285 /nfs/dbraw/zinc/59/82/85/503598285.db2.gz LGXUCABMUFEXOG-QZTJIDSGSA-N 2 1 374.529 3.206 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000516845775 503598289 /nfs/dbraw/zinc/59/82/89/503598289.db2.gz LGXUCABMUFEXOG-QZTJIDSGSA-N 2 1 374.529 3.206 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)C1 ZINC000582715077 506381976 /nfs/dbraw/zinc/38/19/76/506381976.db2.gz LAQDIDLMORPEFC-DBXWQHBBSA-N 2 1 372.557 3.045 20 0 FGADMP CC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532969620 503680666 /nfs/dbraw/zinc/68/06/66/503680666.db2.gz LUWGCYMHSXDGEQ-HXUWFJFHSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC12CCC2 ZINC000536719770 503695132 /nfs/dbraw/zinc/69/51/32/503695132.db2.gz ZZFTWYIGODCOCU-LJQANCHMSA-N 2 1 369.553 3.411 20 0 FGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543245294 503697029 /nfs/dbraw/zinc/69/70/29/503697029.db2.gz BTPGQAYTADNRRC-UIFIKXQLSA-N 2 1 357.542 3.300 20 0 FGADMP CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000543248313 503698092 /nfs/dbraw/zinc/69/80/92/503698092.db2.gz WYGAIRFWWFLZNF-HXUWFJFHSA-N 2 1 357.542 3.267 20 0 FGADMP C[N@@H+](CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000527189259 503712332 /nfs/dbraw/zinc/71/23/32/503712332.db2.gz HSNYKCOVCLYEMA-OYRHEFFESA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000527189259 503712335 /nfs/dbraw/zinc/71/23/35/503712335.db2.gz HSNYKCOVCLYEMA-OYRHEFFESA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CCCCC1 ZINC000527189259 503712339 /nfs/dbraw/zinc/71/23/39/503712339.db2.gz HSNYKCOVCLYEMA-OYRHEFFESA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299869 503716092 /nfs/dbraw/zinc/71/60/92/503716092.db2.gz FBGQNBITVBAZAK-DYXWJJEUSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300942 503732320 /nfs/dbraw/zinc/73/23/20/503732320.db2.gz FIWWBDMTYBKZON-LPHOPBHVSA-N 2 1 361.486 3.057 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000536833988 503736038 /nfs/dbraw/zinc/73/60/38/503736038.db2.gz RWBCXJMVJHSKKA-COPCDDAFSA-N 2 1 369.553 3.420 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536851163 503740793 /nfs/dbraw/zinc/74/07/93/503740793.db2.gz JHGALQLOLWOILY-HKUYNNGSSA-N 2 1 365.468 3.089 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000543417084 503762015 /nfs/dbraw/zinc/76/20/15/503762015.db2.gz MHCXKAQTEDTOIU-IFMALSPDSA-N 2 1 359.558 3.222 20 0 FGADMP CC(C)CSCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000536933497 503764773 /nfs/dbraw/zinc/76/47/73/503764773.db2.gz AVLMQVYDGQGNTD-RTBURBONSA-N 2 1 372.619 3.356 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014037 503776955 /nfs/dbraw/zinc/77/69/55/503776955.db2.gz ZDANYKRYGSBGEV-DHIUTWEWSA-N 2 1 366.505 3.373 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014037 503776963 /nfs/dbraw/zinc/77/69/63/503776963.db2.gz ZDANYKRYGSBGEV-DHIUTWEWSA-N 2 1 366.505 3.373 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3sccc3s2)CC1 ZINC000517652578 503797107 /nfs/dbraw/zinc/79/71/07/503797107.db2.gz INUMPGDBGLTZNL-UHFFFAOYSA-N 2 1 358.492 3.362 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024183 503797689 /nfs/dbraw/zinc/79/76/89/503797689.db2.gz KVFRDBBOIYTCLD-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024183 503797696 /nfs/dbraw/zinc/79/76/96/503797696.db2.gz KVFRDBBOIYTCLD-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024183 503797707 /nfs/dbraw/zinc/79/77/07/503797707.db2.gz KVFRDBBOIYTCLD-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193310 503835495 /nfs/dbraw/zinc/83/54/95/503835495.db2.gz BAYHYPRXKDHPPA-QUCCMNQESA-N 2 1 357.542 3.439 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193310 503835502 /nfs/dbraw/zinc/83/55/02/503835502.db2.gz BAYHYPRXKDHPPA-QUCCMNQESA-N 2 1 357.542 3.439 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000533527633 503876567 /nfs/dbraw/zinc/87/65/67/503876567.db2.gz ZWRJMSGBXSFNQZ-ROUUACIJSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000546790042 503879218 /nfs/dbraw/zinc/87/92/18/503879218.db2.gz YXPDPZQSQVEQGJ-QGZVFWFLSA-N 2 1 366.509 3.452 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000527659934 503882228 /nfs/dbraw/zinc/88/22/28/503882228.db2.gz CDDFGABOXWFLLO-AWEZNQCLSA-N 2 1 372.431 3.305 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000543762210 503883146 /nfs/dbraw/zinc/88/31/46/503883146.db2.gz ISNZKCFPDVAAFX-BAMDZGJYSA-N 2 1 368.521 3.321 20 0 FGADMP Fc1cc(Br)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240141 503889829 /nfs/dbraw/zinc/88/98/29/503889829.db2.gz YECKUZOBQNAYLS-INIZCTEOSA-N 2 1 371.294 3.179 20 0 FGADMP C[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)COc2ccccc2O1 ZINC000527736558 503921325 /nfs/dbraw/zinc/92/13/25/503921325.db2.gz RVKVXLMIYZVUHN-QFIPXVFZSA-N 2 1 352.478 3.471 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500849 503935044 /nfs/dbraw/zinc/93/50/44/503935044.db2.gz OONQVJMPOZHOJH-FHLIZLRMSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500849 503935048 /nfs/dbraw/zinc/93/50/48/503935048.db2.gz OONQVJMPOZHOJH-FHLIZLRMSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500849 503935053 /nfs/dbraw/zinc/93/50/53/503935053.db2.gz OONQVJMPOZHOJH-FHLIZLRMSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500849 503935056 /nfs/dbraw/zinc/93/50/56/503935056.db2.gz OONQVJMPOZHOJH-FHLIZLRMSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361711 503963519 /nfs/dbraw/zinc/96/35/19/503963519.db2.gz DQNWFWOEXQLFQC-SJLPKXTDSA-N 2 1 354.922 3.037 20 0 FGADMP FC(F)(F)C1=CC[NH+](CCOCC[N@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000533834534 503965655 /nfs/dbraw/zinc/96/56/55/503965655.db2.gz FTCNBYJDKXFTRI-UHFFFAOYSA-N 2 1 372.353 3.392 20 0 FGADMP FC(F)(F)C1=CC[NH+](CCOCC[N@@H+]2CC=C(C(F)(F)F)CC2)CC1 ZINC000533834534 503965658 /nfs/dbraw/zinc/96/56/58/503965658.db2.gz FTCNBYJDKXFTRI-UHFFFAOYSA-N 2 1 372.353 3.392 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000540988818 503966398 /nfs/dbraw/zinc/96/63/98/503966398.db2.gz QELLTYXAMYSQGY-FPOVZHCZSA-N 2 1 357.473 3.274 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530516657 503994968 /nfs/dbraw/zinc/99/49/68/503994968.db2.gz GXGORJJQGOZYRO-NSHGMRRFSA-N 2 1 350.547 3.299 20 0 FGADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000541155296 504024811 /nfs/dbraw/zinc/02/48/11/504024811.db2.gz BGWNVNKYAXURGG-KURKYZTESA-N 2 1 358.530 3.363 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000530701165 504056872 /nfs/dbraw/zinc/05/68/72/504056872.db2.gz FUBVZAXFHUHRBC-HDICACEKSA-N 2 1 374.525 3.185 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000530727571 504066514 /nfs/dbraw/zinc/06/65/14/504066514.db2.gz QJXCRSSLCZXZDD-IBGZPJMESA-N 2 1 372.557 3.377 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000544332570 504091426 /nfs/dbraw/zinc/09/14/26/504091426.db2.gz RLOGOJDRZPWHAJ-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544333553 504092636 /nfs/dbraw/zinc/09/26/36/504092636.db2.gz IYHZQQDTWHTWPC-LJQANCHMSA-N 2 1 372.557 3.485 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812503 504093959 /nfs/dbraw/zinc/09/39/59/504093959.db2.gz RXBWATHCTLJQKZ-RTWAWAEBSA-N 2 1 359.558 3.306 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2noc(C3CC3)n2)C1 ZINC000544350631 504098486 /nfs/dbraw/zinc/09/84/86/504098486.db2.gz KARUANYOOHYSDP-INIZCTEOSA-N 2 1 364.453 3.216 20 0 FGADMP C[N@@H+](CCC(=O)N1CCC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000547429898 504101775 /nfs/dbraw/zinc/10/17/75/504101775.db2.gz BPYLTHCDAFMALZ-UHFFFAOYSA-N 2 1 357.542 3.376 20 0 FGADMP C[NH+](CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000547429898 504101780 /nfs/dbraw/zinc/10/17/80/504101780.db2.gz BPYLTHCDAFMALZ-UHFFFAOYSA-N 2 1 357.542 3.376 20 0 FGADMP C[NH+](CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000547429898 504101786 /nfs/dbraw/zinc/10/17/86/504101786.db2.gz BPYLTHCDAFMALZ-UHFFFAOYSA-N 2 1 357.542 3.376 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840626 504103104 /nfs/dbraw/zinc/10/31/04/504103104.db2.gz BHUCVKBVCFMMSE-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098189 504132999 /nfs/dbraw/zinc/13/29/99/504132999.db2.gz CODQWDGUCRWJJF-AEFFLSMTSA-N 2 1 351.922 3.214 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C/C=C\c2cccc(F)c2)CC1 ZINC000530939912 504136483 /nfs/dbraw/zinc/13/64/83/504136483.db2.gz GWZZZMPTMUYVNL-HYXAFXHYSA-N 2 1 354.429 3.015 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099438 504139960 /nfs/dbraw/zinc/13/99/60/504139960.db2.gz SVXNHBRCZLQDIZ-KRWDZBQOSA-N 2 1 353.457 3.112 20 0 FGADMP CCSc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000534495638 504156858 /nfs/dbraw/zinc/15/68/58/504156858.db2.gz ISVQZUDEYCZMAX-INIZCTEOSA-N 2 1 363.571 3.392 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000541536230 504168866 /nfs/dbraw/zinc/16/88/66/504168866.db2.gz GPYWBYKZWWXPTC-HXUWFJFHSA-N 2 1 362.562 3.401 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000528335175 504174984 /nfs/dbraw/zinc/17/49/84/504174984.db2.gz NALRJKJFAHYUSP-AWEZNQCLSA-N 2 1 371.447 3.251 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000519294377 504184595 /nfs/dbraw/zinc/18/45/95/504184595.db2.gz UIOGCCROVJZGIT-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP O=C(C[NH2+]C1(C2CC2)CC1)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000541595665 504192764 /nfs/dbraw/zinc/19/27/64/504192764.db2.gz DXBMUQQQJSDPCZ-SFHVURJKSA-N 2 1 361.917 3.125 20 0 FGADMP Cc1ccc2sc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)nc2c1 ZINC000528392221 504203355 /nfs/dbraw/zinc/20/33/55/504203355.db2.gz UBINALKHVZNTCH-QGZVFWFLSA-N 2 1 358.555 3.205 20 0 FGADMP Cc1ccc2sc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)nc2c1 ZINC000528392221 504203360 /nfs/dbraw/zinc/20/33/60/504203360.db2.gz UBINALKHVZNTCH-QGZVFWFLSA-N 2 1 358.555 3.205 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000534721168 504224117 /nfs/dbraw/zinc/22/41/17/504224117.db2.gz KRGBQOZHLIZBFS-NHCUHLMSSA-N 2 1 372.557 3.195 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000544709353 504229140 /nfs/dbraw/zinc/22/91/40/504229140.db2.gz XXIAPTXBRKLDFT-AWEZNQCLSA-N 2 1 367.415 3.107 20 0 FGADMP CC[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](CC)CC ZINC000531294174 504255817 /nfs/dbraw/zinc/25/58/17/504255817.db2.gz DJHSWUAMPNLELX-FUHIMQAGSA-N 2 1 361.530 3.355 20 0 FGADMP CC[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](CC)CC ZINC000531294174 504255826 /nfs/dbraw/zinc/25/58/26/504255826.db2.gz DJHSWUAMPNLELX-FUHIMQAGSA-N 2 1 361.530 3.355 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000538502130 504265340 /nfs/dbraw/zinc/26/53/40/504265340.db2.gz XXCDEQDPQDKBCO-GOSISDBHSA-N 2 1 366.937 3.070 20 0 FGADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000519644088 504286325 /nfs/dbraw/zinc/28/63/25/504286325.db2.gz LPRDBUFQZMJGKS-SJCJKPOMSA-N 2 1 370.324 3.072 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CCCCCC3)c2)C1 ZINC000531490245 504325904 /nfs/dbraw/zinc/32/59/04/504325904.db2.gz WXJNBFYBMWOIAZ-NRFANRHFSA-N 2 1 357.542 3.444 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113648 504334657 /nfs/dbraw/zinc/33/46/57/504334657.db2.gz GVSAVYFFLKOGCO-FCHUYYIVSA-N 2 1 365.521 3.415 20 0 FGADMP Cc1nc(COc2ccc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)cc2)no1 ZINC000538750260 504357471 /nfs/dbraw/zinc/35/74/71/504357471.db2.gz NFQSMRMWDDVKPX-LJQANCHMSA-N 2 1 370.497 3.121 20 0 FGADMP Cc1nc(COc2ccc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)cc2)no1 ZINC000538750260 504357475 /nfs/dbraw/zinc/35/74/75/504357475.db2.gz NFQSMRMWDDVKPX-LJQANCHMSA-N 2 1 370.497 3.121 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)no1 ZINC000538750260 504357480 /nfs/dbraw/zinc/35/74/80/504357480.db2.gz NFQSMRMWDDVKPX-LJQANCHMSA-N 2 1 370.497 3.121 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)cc2)no1 ZINC000538750260 504357484 /nfs/dbraw/zinc/35/74/84/504357484.db2.gz NFQSMRMWDDVKPX-LJQANCHMSA-N 2 1 370.497 3.121 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCCCCC1 ZINC000519924623 504385116 /nfs/dbraw/zinc/38/51/16/504385116.db2.gz IDHFOTCFXOJONB-UHFFFAOYSA-N 2 1 352.567 3.157 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000548297098 504389690 /nfs/dbraw/zinc/38/96/90/504389690.db2.gz JFILBPXSAHFYQC-MRXNPFEDSA-N 2 1 366.431 3.382 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000548297098 504389691 /nfs/dbraw/zinc/38/96/91/504389691.db2.gz JFILBPXSAHFYQC-MRXNPFEDSA-N 2 1 366.431 3.382 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc3ccsc32)CC1 ZINC000545216159 504400606 /nfs/dbraw/zinc/40/06/06/504400606.db2.gz HBXUHOHEYDVHMH-UHFFFAOYSA-N 2 1 352.463 3.300 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000520044380 504403493 /nfs/dbraw/zinc/40/34/93/504403493.db2.gz NKRZCVQVWCQQAX-KRWDZBQOSA-N 2 1 361.530 3.466 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000520044380 504403499 /nfs/dbraw/zinc/40/34/99/504403499.db2.gz NKRZCVQVWCQQAX-KRWDZBQOSA-N 2 1 361.530 3.466 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@H]1c1cccs1 ZINC000531724411 504405540 /nfs/dbraw/zinc/40/55/40/504405540.db2.gz OSHKVLIGGFWAQX-UZLBHIALSA-N 2 1 371.554 3.180 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@H]1c1cccs1 ZINC000531724411 504405544 /nfs/dbraw/zinc/40/55/44/504405544.db2.gz OSHKVLIGGFWAQX-UZLBHIALSA-N 2 1 371.554 3.180 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000531738238 504408303 /nfs/dbraw/zinc/40/83/03/504408303.db2.gz BJHLGTQCLLMNSI-CRAIPNDOSA-N 2 1 356.457 3.070 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cn4ccccc4n3)CC2)nc(C)[nH+]1 ZINC000548384173 504423923 /nfs/dbraw/zinc/42/39/23/504423923.db2.gz OCJXHOBUALHJDZ-OAHLLOKOSA-N 2 1 350.470 3.061 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192375 504431259 /nfs/dbraw/zinc/43/12/59/504431259.db2.gz OYCSAFZQFJMLJG-YLJYHZDGSA-N 2 1 352.567 3.013 20 0 FGADMP CN(C(=O)[C@@H]1CCCC12CC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528892681 504436808 /nfs/dbraw/zinc/43/68/08/504436808.db2.gz IDJSKCNZIBWEFO-XUVXKRRUSA-N 2 1 361.574 3.362 20 0 FGADMP O[C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)C[NH+]1CCCC1 ZINC000535506966 504454300 /nfs/dbraw/zinc/45/43/00/504454300.db2.gz FRHLNQLSKZKBGJ-WBMJQRKESA-N 2 1 373.722 3.136 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481925 504461810 /nfs/dbraw/zinc/46/18/10/504461810.db2.gz SUUCIGFAXAWCHJ-LAUBAEHRSA-N 2 1 354.542 3.470 20 0 FGADMP Cc1cc(F)ccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000548488791 504464224 /nfs/dbraw/zinc/46/42/24/504464224.db2.gz FJGHHTOSYTVZEL-QZTJIDSGSA-N 2 1 364.505 3.224 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000539088899 504469596 /nfs/dbraw/zinc/46/95/96/504469596.db2.gz CIRLNYRJQNEZOH-COPCDDAFSA-N 2 1 369.553 3.420 20 0 FGADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000542385920 504470449 /nfs/dbraw/zinc/47/04/49/504470449.db2.gz ATHAWHOGNFAXNZ-AWEZNQCLSA-N 2 1 370.324 3.026 20 0 FGADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000542385920 504470453 /nfs/dbraw/zinc/47/04/53/504470453.db2.gz ATHAWHOGNFAXNZ-AWEZNQCLSA-N 2 1 370.324 3.026 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507107 504470968 /nfs/dbraw/zinc/47/09/68/504470968.db2.gz STOVQALGIJYSII-KRWDZBQOSA-N 2 1 357.502 3.048 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2cc(F)ccc2F)CC1 ZINC000535586583 504478688 /nfs/dbraw/zinc/47/86/88/504478688.db2.gz LOHHFMGUTGPRSM-UHFFFAOYSA-N 2 1 374.435 3.073 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977619 504493644 /nfs/dbraw/zinc/49/36/44/504493644.db2.gz FSHBUOPPMXWDEA-JQWIXIFHSA-N 2 1 350.816 3.238 20 0 FGADMP CC[C@H](O)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000542466465 504501886 /nfs/dbraw/zinc/50/18/86/504501886.db2.gz GWOMADAUNQSESE-NRFANRHFSA-N 2 1 350.466 3.349 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@H]3CCCCO3)CC2)CC1 ZINC000542505809 504517783 /nfs/dbraw/zinc/51/77/83/504517783.db2.gz MZMNAXJAFDHVQA-OAQYLSRUSA-N 2 1 351.579 3.074 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[C@H]1CCCCO1 ZINC000542505809 504517789 /nfs/dbraw/zinc/51/77/89/504517789.db2.gz MZMNAXJAFDHVQA-OAQYLSRUSA-N 3 1 351.579 3.074 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[C@H]1CCCCO1 ZINC000542505809 504517794 /nfs/dbraw/zinc/51/77/94/504517794.db2.gz MZMNAXJAFDHVQA-OAQYLSRUSA-N 3 1 351.579 3.074 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)Cc1ccccc1 ZINC000542516770 504522230 /nfs/dbraw/zinc/52/22/30/504522230.db2.gz GSXHLCZMMRXNBR-AJSBUHFISA-N 2 1 352.522 3.338 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)Cc1ccccc1 ZINC000542516770 504522237 /nfs/dbraw/zinc/52/22/37/504522237.db2.gz GSXHLCZMMRXNBR-AJSBUHFISA-N 2 1 352.522 3.338 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NCC[NH+]2CCCCC2)CC1 ZINC000539308381 504525350 /nfs/dbraw/zinc/52/53/50/504525350.db2.gz HKJMLCUWKHNEPE-GOSISDBHSA-N 2 1 362.537 3.104 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000542534624 504530302 /nfs/dbraw/zinc/53/03/02/504530302.db2.gz UBUQINNBRCUFKL-XYJFISCASA-N 2 1 361.505 3.246 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000542534624 504530307 /nfs/dbraw/zinc/53/03/07/504530307.db2.gz UBUQINNBRCUFKL-XYJFISCASA-N 2 1 361.505 3.246 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188204 504567546 /nfs/dbraw/zinc/56/75/46/504567546.db2.gz LQMJQTQXYQGEPJ-RBUKOAKNSA-N 2 1 371.550 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000520830574 504592132 /nfs/dbraw/zinc/59/21/32/504592132.db2.gz OBRFGYIRVPJYLJ-GOSISDBHSA-N 2 1 365.521 3.492 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529284150 504619204 /nfs/dbraw/zinc/61/92/04/504619204.db2.gz CROSVSITDKYWBH-XLIONFOSSA-N 2 1 370.541 3.145 20 0 FGADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@]3(O)CC[N@H+](C)C3)cc2)c1 ZINC000545867059 504619482 /nfs/dbraw/zinc/61/94/82/504619482.db2.gz MMLSBYAPTGJNOU-XMSQKQJNSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000545867059 504619486 /nfs/dbraw/zinc/61/94/86/504619486.db2.gz MMLSBYAPTGJNOU-XMSQKQJNSA-N 2 1 354.494 3.291 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccnc1 ZINC000548932171 504625278 /nfs/dbraw/zinc/62/52/78/504625278.db2.gz TWDYFYCIKWFFAW-FQEVSTJZSA-N 2 1 366.509 3.301 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)Nc1cccnc1 ZINC000548932171 504625279 /nfs/dbraw/zinc/62/52/79/504625279.db2.gz TWDYFYCIKWFFAW-FQEVSTJZSA-N 2 1 366.509 3.301 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000532446721 504654992 /nfs/dbraw/zinc/65/49/92/504654992.db2.gz UUEDOZPTOWRYMT-GHTZIAJQSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000532446721 504654998 /nfs/dbraw/zinc/65/49/98/504654998.db2.gz UUEDOZPTOWRYMT-GHTZIAJQSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000532446727 504655421 /nfs/dbraw/zinc/65/54/21/504655421.db2.gz UUEDOZPTOWRYMT-NQIIRXRSSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000532446727 504655423 /nfs/dbraw/zinc/65/54/23/504655423.db2.gz UUEDOZPTOWRYMT-NQIIRXRSSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1sccc1Br ZINC000532482126 504665377 /nfs/dbraw/zinc/66/53/77/504665377.db2.gz OWVUSIDCXUJBAW-ZDUSSCGKSA-N 2 1 374.392 3.435 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532520311 504681478 /nfs/dbraw/zinc/68/14/78/504681478.db2.gz OSGOOODUGSCHTN-WIYYLYMNSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532520311 504681481 /nfs/dbraw/zinc/68/14/81/504681481.db2.gz OSGOOODUGSCHTN-WIYYLYMNSA-N 2 1 365.525 3.088 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299857 504690523 /nfs/dbraw/zinc/69/05/23/504690523.db2.gz WOVAVDGKBCKJJY-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299857 504690526 /nfs/dbraw/zinc/69/05/26/504690526.db2.gz WOVAVDGKBCKJJY-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299857 504690530 /nfs/dbraw/zinc/69/05/30/504690530.db2.gz WOVAVDGKBCKJJY-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299857 504690534 /nfs/dbraw/zinc/69/05/34/504690534.db2.gz WOVAVDGKBCKJJY-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CCCC1 ZINC000546062974 504695149 /nfs/dbraw/zinc/69/51/49/504695149.db2.gz IIESZYSEAIQXTQ-KRWDZBQOSA-N 2 1 351.922 3.181 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137517 504698440 /nfs/dbraw/zinc/69/84/40/504698440.db2.gz UOXGJSFIGGKZRQ-RBUKOAKNSA-N 2 1 354.922 3.460 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000539852494 504718110 /nfs/dbraw/zinc/71/81/10/504718110.db2.gz RZKDWMHFHWXFTR-MRXNPFEDSA-N 2 1 370.921 3.290 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000539852494 504718117 /nfs/dbraw/zinc/71/81/17/504718117.db2.gz RZKDWMHFHWXFTR-MRXNPFEDSA-N 2 1 370.921 3.290 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900371 504735000 /nfs/dbraw/zinc/73/50/00/504735000.db2.gz XTOLLSQWWYASRI-SBHAEUEKSA-N 2 1 358.526 3.474 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900371 504735003 /nfs/dbraw/zinc/73/50/03/504735003.db2.gz XTOLLSQWWYASRI-SBHAEUEKSA-N 2 1 358.526 3.474 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000532842178 504766103 /nfs/dbraw/zinc/76/61/03/504766103.db2.gz HUFLRRWIPBOYFI-QGZVFWFLSA-N 2 1 362.562 3.173 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565061286 504784413 /nfs/dbraw/zinc/78/44/13/504784413.db2.gz AMDXMOMHRBBXAC-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP O=C1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CN1C1CC1 ZINC000565095182 504792532 /nfs/dbraw/zinc/79/25/32/504792532.db2.gz QYVIBUFUCUIVFK-FVTFTPSCSA-N 2 1 367.537 3.030 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000565164882 504813209 /nfs/dbraw/zinc/81/32/09/504813209.db2.gz PZCXWKSBZXYZRH-RTBURBONSA-N 2 1 363.933 3.420 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276614 504817317 /nfs/dbraw/zinc/81/73/17/504817317.db2.gz SZQPUWDABLUTJL-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000559276614 504817321 /nfs/dbraw/zinc/81/73/21/504817321.db2.gz SZQPUWDABLUTJL-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000559276614 504817324 /nfs/dbraw/zinc/81/73/24/504817324.db2.gz SZQPUWDABLUTJL-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP CCOc1ccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)cc1OCC ZINC000565228214 504830297 /nfs/dbraw/zinc/83/02/97/504830297.db2.gz DOSIMQKGYZASJD-IBGZPJMESA-N 2 1 362.514 3.171 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000553211737 504853752 /nfs/dbraw/zinc/85/37/52/504853752.db2.gz FDWSGGPNCHNJAA-ONTIZHBOSA-N 2 1 374.488 3.493 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572741 504863994 /nfs/dbraw/zinc/86/39/94/504863994.db2.gz QITASWVFKWRAQI-AZUAARDMSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572741 504863996 /nfs/dbraw/zinc/86/39/96/504863996.db2.gz QITASWVFKWRAQI-AZUAARDMSA-N 2 1 366.509 3.056 20 0 FGADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1cccnc1 ZINC000565358663 504865249 /nfs/dbraw/zinc/86/52/49/504865249.db2.gz HDNNTVSVSCUKGZ-SEJPIABJSA-N 2 1 364.493 3.195 20 0 FGADMP CCN(CCc1ccccc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553350083 504890202 /nfs/dbraw/zinc/89/02/02/504890202.db2.gz CBQBIEYLOUDNFF-UHFFFAOYSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000565475014 504898222 /nfs/dbraw/zinc/89/82/22/504898222.db2.gz HYJQEFIXXORBJB-YWPYICTPSA-N 2 1 356.297 3.076 20 0 FGADMP O=C(NCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000562748070 504931568 /nfs/dbraw/zinc/93/15/68/504931568.db2.gz JTKGPVDUCRNMEB-QFBILLFUSA-N 2 1 357.885 3.153 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000549938688 504940140 /nfs/dbraw/zinc/94/01/40/504940140.db2.gz FCBXQWINIHGROX-VOQZNFBZSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000549938691 504940524 /nfs/dbraw/zinc/94/05/24/504940524.db2.gz FCBXQWINIHGROX-ZPMCFJSWSA-N 2 1 356.485 3.229 20 0 FGADMP COc1ccncc1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559870626 504940905 /nfs/dbraw/zinc/94/09/05/504940905.db2.gz GXPCWSRFOCQEQJ-HMXCVIKNSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000559870626 504940906 /nfs/dbraw/zinc/94/09/06/504940906.db2.gz GXPCWSRFOCQEQJ-HMXCVIKNSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559870626 504940908 /nfs/dbraw/zinc/94/09/08/504940908.db2.gz GXPCWSRFOCQEQJ-HMXCVIKNSA-N 2 1 351.494 3.481 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCO[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686136 504958439 /nfs/dbraw/zinc/95/84/39/504958439.db2.gz SLQMTUWQLFYXIH-YPAWHYETSA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686136 504958442 /nfs/dbraw/zinc/95/84/42/504958442.db2.gz SLQMTUWQLFYXIH-YPAWHYETSA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686136 504958446 /nfs/dbraw/zinc/95/84/46/504958446.db2.gz SLQMTUWQLFYXIH-YPAWHYETSA-N 2 1 358.526 3.374 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553598619 504959324 /nfs/dbraw/zinc/95/93/24/504959324.db2.gz DJLXCFPXYAQVMF-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nc2ccccc12 ZINC000562837852 504960322 /nfs/dbraw/zinc/96/03/22/504960322.db2.gz KXDXYTSAJBVIHN-OAHLLOKOSA-N 2 1 370.888 3.084 20 0 FGADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)nc2ccccc12 ZINC000562837852 504960326 /nfs/dbraw/zinc/96/03/26/504960326.db2.gz KXDXYTSAJBVIHN-OAHLLOKOSA-N 2 1 370.888 3.084 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839555 504961531 /nfs/dbraw/zinc/96/15/31/504961531.db2.gz QHEMRKRHRNMEQI-YLJYHZDGSA-N 2 1 373.541 3.141 20 0 FGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550270262 505008277 /nfs/dbraw/zinc/00/82/77/505008277.db2.gz LFWVDAUXKQKXQB-QFIPXVFZSA-N 2 1 365.521 3.408 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987323 505010952 /nfs/dbraw/zinc/01/09/52/505010952.db2.gz GTMBCVTXSZYRSR-AVRDEDQJSA-N 2 1 366.505 3.167 20 0 FGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000565885910 505017203 /nfs/dbraw/zinc/01/72/03/505017203.db2.gz COTHLDAOPRDUSS-XJKSGUPXSA-N 2 1 368.319 3.288 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000556938377 505024247 /nfs/dbraw/zinc/02/42/47/505024247.db2.gz POUXUEVFROCDRN-YLJYHZDGSA-N 2 1 372.582 3.453 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000563150463 505060797 /nfs/dbraw/zinc/06/07/97/505060797.db2.gz UJJUABHBMFBTAX-ZDUSSCGKSA-N 2 1 356.297 3.253 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000566131802 505092683 /nfs/dbraw/zinc/09/26/83/505092683.db2.gz PPZIIDRTAMFNFW-DOXZYTNZSA-N 2 1 352.906 3.019 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550794961 505102784 /nfs/dbraw/zinc/10/27/84/505102784.db2.gz NOLKTQHHVWNMCZ-SEIRJHJZSA-N 2 1 368.525 3.406 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550794961 505102787 /nfs/dbraw/zinc/10/27/87/505102787.db2.gz NOLKTQHHVWNMCZ-SEIRJHJZSA-N 2 1 368.525 3.406 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000566196680 505110169 /nfs/dbraw/zinc/11/01/69/505110169.db2.gz QBUYITAQSCKSHT-LBPRGKRZSA-N 2 1 370.324 3.215 20 0 FGADMP Cc1ccnc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000560514159 505110422 /nfs/dbraw/zinc/11/04/22/505110422.db2.gz SMTDRYINHVFMTB-SIKLNZKXSA-N 2 1 352.526 3.419 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3ccnc(OC)c3)cc2)CC1 ZINC000550893220 505121469 /nfs/dbraw/zinc/12/14/69/505121469.db2.gz VNULXXBWXISLJK-SFHVURJKSA-N 2 1 368.525 3.079 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563426 505168990 /nfs/dbraw/zinc/16/89/90/505168990.db2.gz MUCOCFCKHIZUKB-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557563426 505168993 /nfs/dbraw/zinc/16/89/93/505168993.db2.gz MUCOCFCKHIZUKB-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557563426 505168995 /nfs/dbraw/zinc/16/89/95/505168995.db2.gz MUCOCFCKHIZUKB-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000560781596 505184897 /nfs/dbraw/zinc/18/48/97/505184897.db2.gz FLUZQBYCAOKYSA-HDICACEKSA-N 2 1 358.530 3.019 20 0 FGADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)c1 ZINC000566480858 505187232 /nfs/dbraw/zinc/18/72/32/505187232.db2.gz BFEWCIQQDLNXOD-WSTZPKSXSA-N 2 1 358.507 3.039 20 0 FGADMP C[C@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000557770420 505226369 /nfs/dbraw/zinc/22/63/69/505226369.db2.gz LYCITLAYFXTAQO-GOSISDBHSA-N 2 1 369.509 3.007 20 0 FGADMP C[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCc2ccccc2C1 ZINC000557770420 505226372 /nfs/dbraw/zinc/22/63/72/505226372.db2.gz LYCITLAYFXTAQO-GOSISDBHSA-N 2 1 369.509 3.007 20 0 FGADMP C[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCc2ccccc2C1 ZINC000557770420 505226375 /nfs/dbraw/zinc/22/63/75/505226375.db2.gz LYCITLAYFXTAQO-GOSISDBHSA-N 2 1 369.509 3.007 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000554664512 505235657 /nfs/dbraw/zinc/23/56/57/505235657.db2.gz VUPQIQGVKYVPSP-UHFFFAOYSA-N 2 1 367.537 3.436 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000557837732 505242612 /nfs/dbraw/zinc/24/26/12/505242612.db2.gz WPVIWTXDCUFJAH-KNQAVFIVSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837732 505242619 /nfs/dbraw/zinc/24/26/19/505242619.db2.gz WPVIWTXDCUFJAH-KNQAVFIVSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837732 505242621 /nfs/dbraw/zinc/24/26/21/505242621.db2.gz WPVIWTXDCUFJAH-KNQAVFIVSA-N 2 1 369.553 3.374 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160562 505268253 /nfs/dbraw/zinc/26/82/53/505268253.db2.gz ITCOOBPDHPUKEB-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160562 505268254 /nfs/dbraw/zinc/26/82/54/505268254.db2.gz ITCOOBPDHPUKEB-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160562 505268255 /nfs/dbraw/zinc/26/82/55/505268255.db2.gz ITCOOBPDHPUKEB-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160562 505268256 /nfs/dbraw/zinc/26/82/56/505268256.db2.gz ITCOOBPDHPUKEB-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)C1CC[NH+](C2CC2)CC1 ZINC000563902034 505271362 /nfs/dbraw/zinc/27/13/62/505271362.db2.gz WTZDMZOANZRMIF-UHFFFAOYSA-N 2 1 362.543 3.332 20 0 FGADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000554816194 505271979 /nfs/dbraw/zinc/27/19/79/505271979.db2.gz FKNNHALWZNNNMH-UHFFFAOYSA-N 2 1 365.521 3.262 20 0 FGADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C(c1ccccc1)c1ccccc1 ZINC000554816194 505271981 /nfs/dbraw/zinc/27/19/81/505271981.db2.gz FKNNHALWZNNNMH-UHFFFAOYSA-N 2 1 365.521 3.262 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882722 505289086 /nfs/dbraw/zinc/28/90/86/505289086.db2.gz NPUZIRLCERTMCI-LJQANCHMSA-N 2 1 363.594 3.103 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863082 505294426 /nfs/dbraw/zinc/29/44/26/505294426.db2.gz GUVMIKOXGRXSTI-GIWBLDEGSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863082 505294429 /nfs/dbraw/zinc/29/44/29/505294429.db2.gz GUVMIKOXGRXSTI-GIWBLDEGSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863082 505294431 /nfs/dbraw/zinc/29/44/31/505294431.db2.gz GUVMIKOXGRXSTI-GIWBLDEGSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863082 505294434 /nfs/dbraw/zinc/29/44/34/505294434.db2.gz GUVMIKOXGRXSTI-GIWBLDEGSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116804 505311382 /nfs/dbraw/zinc/31/13/82/505311382.db2.gz LFWAUPPLEWCTNK-KNBMTAEXSA-N 2 1 350.934 3.486 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ncc(-c4ccccc4)s3)CC2)CC1 ZINC000567026708 505342606 /nfs/dbraw/zinc/34/26/06/505342606.db2.gz OVXWPVJDPVQVTP-UHFFFAOYSA-N 2 1 370.566 3.270 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000555125137 505356828 /nfs/dbraw/zinc/35/68/28/505356828.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125137 505356831 /nfs/dbraw/zinc/35/68/31/505356831.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125137 505356836 /nfs/dbraw/zinc/35/68/36/505356836.db2.gz DGLJJZVSWQNYSU-YUXAGFNASA-N 2 1 357.542 3.437 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558326574 505360858 /nfs/dbraw/zinc/36/08/58/505360858.db2.gz RQUTYDUBUGMRNW-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000551988396 505363755 /nfs/dbraw/zinc/36/37/55/505363755.db2.gz TZDGPJYFQYIYCH-NXHRZFHOSA-N 2 1 368.481 3.152 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000558404913 505379390 /nfs/dbraw/zinc/37/93/90/505379390.db2.gz PGZGCYKKOSCSPY-YADHBBJMSA-N 2 1 351.494 3.160 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000558404913 505379391 /nfs/dbraw/zinc/37/93/91/505379391.db2.gz PGZGCYKKOSCSPY-YADHBBJMSA-N 2 1 351.494 3.160 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)C[C@@H](C)O1 ZINC000555256141 505392546 /nfs/dbraw/zinc/39/25/46/505392546.db2.gz RBARCYSCGJZLOF-IAGOWNOFSA-N 2 1 371.525 3.109 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCCC1 ZINC000567324706 505428632 /nfs/dbraw/zinc/42/86/32/505428632.db2.gz ZXRGIDFUYYNLAN-VAMGGRTRSA-N 2 1 355.526 3.065 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(F)c3Cl)CC2)CC1 ZINC000555423477 505429600 /nfs/dbraw/zinc/42/96/00/505429600.db2.gz JNYXYVBCTUHXDT-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP C=Cc1ccc(CCNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000564737628 505506957 /nfs/dbraw/zinc/50/69/57/505506957.db2.gz YOFSLXRWBSOFAL-UHFFFAOYSA-N 2 1 369.553 3.185 20 0 FGADMP Clc1ccc2nc(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cn2c1 ZINC000564823956 505530562 /nfs/dbraw/zinc/53/05/62/505530562.db2.gz UPNRGDUVSMTZSJ-YLJYHZDGSA-N 2 1 368.868 3.333 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567680717 505534310 /nfs/dbraw/zinc/53/43/10/505534310.db2.gz CXQJUDOQZIUBOW-QUCCMNQESA-N 2 1 356.510 3.290 20 0 FGADMP C/C=C\c1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690110 505537641 /nfs/dbraw/zinc/53/76/41/505537641.db2.gz YLMMCCHXXXNWQY-VHTHAAAWSA-N 2 1 374.525 3.073 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000599291601 506398143 /nfs/dbraw/zinc/39/81/43/506398143.db2.gz GDFPURZFGDEOPI-ZWKOTPCHSA-N 2 1 351.922 3.323 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000599291600 506398815 /nfs/dbraw/zinc/39/88/15/506398815.db2.gz GDFPURZFGDEOPI-ROUUACIJSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000608058646 506401241 /nfs/dbraw/zinc/40/12/41/506401241.db2.gz VOYFRHNXLAEDSV-UHFFFAOYSA-N 2 1 363.461 3.300 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000582905856 506482703 /nfs/dbraw/zinc/48/27/03/506482703.db2.gz UKSIZDPLBXGLNA-WLKXKRCBSA-N 2 1 351.494 3.076 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C(C)C)n3ccccc23)C1 ZINC000583029630 506550464 /nfs/dbraw/zinc/55/04/64/506550464.db2.gz XYTKSGPAVWXHNF-SFHVURJKSA-N 2 1 358.530 3.390 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C(C)C)n3ccccc23)C1 ZINC000583029630 506550468 /nfs/dbraw/zinc/55/04/68/506550468.db2.gz XYTKSGPAVWXHNF-SFHVURJKSA-N 2 1 358.530 3.390 20 0 FGADMP C[C@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000583152073 506618476 /nfs/dbraw/zinc/61/84/76/506618476.db2.gz NUGZMOXWMAMFLZ-QGZVFWFLSA-N 2 1 362.477 3.086 20 0 FGADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000608613735 506632859 /nfs/dbraw/zinc/63/28/59/506632859.db2.gz MHXUCFIMMORLQU-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000608613735 506632861 /nfs/dbraw/zinc/63/28/61/506632861.db2.gz MHXUCFIMMORLQU-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000608613735 506632865 /nfs/dbraw/zinc/63/28/65/506632865.db2.gz MHXUCFIMMORLQU-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP COC(=O)C1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000589743221 506640392 /nfs/dbraw/zinc/64/03/92/506640392.db2.gz YQKWNMTYANKOSY-UHFFFAOYSA-N 2 1 362.489 3.156 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583264273 506684850 /nfs/dbraw/zinc/68/48/50/506684850.db2.gz HCXDXBZPMPSFPJ-OLMNPRSZSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@@H+](CC(=O)Nc1cccc(OC)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999682 506702331 /nfs/dbraw/zinc/70/23/31/506702331.db2.gz SIMUDUXVDFFRHE-UHFFFAOYSA-N 2 1 355.482 3.217 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000597042356 506746044 /nfs/dbraw/zinc/74/60/44/506746044.db2.gz DPPHCFKXSVXJTH-UHFFFAOYSA-N 2 1 370.468 3.409 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388585 506813606 /nfs/dbraw/zinc/81/36/06/506813606.db2.gz JCZDZUASAJMANU-NVXWUHKLSA-N 2 1 371.447 3.358 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388585 506813611 /nfs/dbraw/zinc/81/36/11/506813611.db2.gz JCZDZUASAJMANU-NVXWUHKLSA-N 2 1 371.447 3.358 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)C[C@H]3C)c2c1C ZINC000597182926 506819764 /nfs/dbraw/zinc/81/97/64/506819764.db2.gz WWOHPJWTLCRWRW-CYBMUJFWSA-N 2 1 359.543 3.044 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)C[C@H]3C)c2c1C ZINC000597182926 506819766 /nfs/dbraw/zinc/81/97/66/506819766.db2.gz WWOHPJWTLCRWRW-CYBMUJFWSA-N 2 1 359.543 3.044 20 0 FGADMP Cc1cccn2cc(CNC(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000600230146 506861884 /nfs/dbraw/zinc/86/18/84/506861884.db2.gz XQSIOQQKWYCMDA-LJQANCHMSA-N 2 1 362.477 3.171 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000594103883 506940992 /nfs/dbraw/zinc/94/09/92/506940992.db2.gz QHEHDHLGNCTNHF-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000590786264 506955151 /nfs/dbraw/zinc/95/51/51/506955151.db2.gz LNRIMZZBQNCMLX-UHFFFAOYSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594133709 506965499 /nfs/dbraw/zinc/96/54/99/506965499.db2.gz TXMMZFCVPKFORZ-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000583929223 507053509 /nfs/dbraw/zinc/05/35/09/507053509.db2.gz SUTFYGHJONQQOP-JBYIUTFZSA-N 2 1 365.521 3.435 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)CC1 ZINC000613493172 507117708 /nfs/dbraw/zinc/11/77/08/507117708.db2.gz YGJAFGUAAGSOPF-NLWGTHIKSA-N 2 1 351.579 3.371 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106394 507117970 /nfs/dbraw/zinc/11/79/70/507117970.db2.gz MZRKZPFKHKTKHX-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106394 507117977 /nfs/dbraw/zinc/11/79/77/507117977.db2.gz MZRKZPFKHKTKHX-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154642 507135421 /nfs/dbraw/zinc/13/54/21/507135421.db2.gz QPWIYKBCSWMTGB-CEWLAPEOSA-N 2 1 357.542 3.449 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861707 507149700 /nfs/dbraw/zinc/14/97/00/507149700.db2.gz OIJXJNNXFNPMRE-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250521 507161621 /nfs/dbraw/zinc/16/16/21/507161621.db2.gz ZDCIBPHLPZKNKN-AEFFLSMTSA-N 2 1 367.484 3.449 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000600888458 507162967 /nfs/dbraw/zinc/16/29/67/507162967.db2.gz WNXZDNKWPYYPHI-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000600931496 507189549 /nfs/dbraw/zinc/18/95/49/507189549.db2.gz BYYXYIRGPXSEJA-LJQANCHMSA-N 2 1 359.901 3.321 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+](C)C1CC1 ZINC000591554641 507289832 /nfs/dbraw/zinc/28/98/32/507289832.db2.gz CEWHMVDOZJBDNI-ROUUACIJSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC000591554641 507289840 /nfs/dbraw/zinc/28/98/40/507289840.db2.gz CEWHMVDOZJBDNI-ROUUACIJSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000591554641 507289843 /nfs/dbraw/zinc/28/98/43/507289843.db2.gz CEWHMVDOZJBDNI-ROUUACIJSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000605943731 507309405 /nfs/dbraw/zinc/30/94/05/507309405.db2.gz JJEYFLJPEVTYKF-IBGZPJMESA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000605943731 507309412 /nfs/dbraw/zinc/30/94/12/507309412.db2.gz JJEYFLJPEVTYKF-IBGZPJMESA-N 2 1 360.546 3.021 20 0 FGADMP CCCCC/C(=C/c1ccccc1)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000591700785 507334091 /nfs/dbraw/zinc/33/40/91/507334091.db2.gz JXHJFDKZQIQTQE-UZYVYHOESA-N 2 1 357.542 3.404 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595004661 507351358 /nfs/dbraw/zinc/35/13/58/507351358.db2.gz RAODCHMDRZDLKV-INIZCTEOSA-N 2 1 370.278 3.352 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000584497245 507377444 /nfs/dbraw/zinc/37/74/44/507377444.db2.gz OWPZQNMVRXIWKA-JOCHJYFZSA-N 2 1 371.569 3.302 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584519578 507391519 /nfs/dbraw/zinc/39/15/19/507391519.db2.gz FPLDCFGTPJYQHM-ACRUOGEOSA-N 2 1 372.557 3.105 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000584691741 507453313 /nfs/dbraw/zinc/45/33/13/507453313.db2.gz WDOLLBPXSBMECH-VSKRKVRLSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691741 507453321 /nfs/dbraw/zinc/45/33/21/507453321.db2.gz WDOLLBPXSBMECH-VSKRKVRLSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691741 507453326 /nfs/dbraw/zinc/45/33/26/507453326.db2.gz WDOLLBPXSBMECH-VSKRKVRLSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000595407434 507482241 /nfs/dbraw/zinc/48/22/41/507482241.db2.gz RUAAOFUDKBCUSZ-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000595407434 507482250 /nfs/dbraw/zinc/48/22/50/507482250.db2.gz RUAAOFUDKBCUSZ-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000595407434 507482259 /nfs/dbraw/zinc/48/22/59/507482259.db2.gz RUAAOFUDKBCUSZ-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000606701666 507488433 /nfs/dbraw/zinc/48/84/33/507488433.db2.gz HRUPDTWROGBTFU-SFHVURJKSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H](Cc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000601972523 507534588 /nfs/dbraw/zinc/53/45/88/507534588.db2.gz UYXSQDASRMRZLD-GOSISDBHSA-N 2 1 352.482 3.041 20 0 FGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCSCc2ccccc2)CC1 ZINC000595513015 507538234 /nfs/dbraw/zinc/53/82/34/507538234.db2.gz QXEWSNXZBYKKTM-UHFFFAOYSA-N 2 1 350.572 3.382 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000607246884 507669945 /nfs/dbraw/zinc/66/99/45/507669945.db2.gz SWIQGJJTHZLHNT-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP CCSCC[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602458422 507715696 /nfs/dbraw/zinc/71/56/96/507715696.db2.gz LWASVDVWLYVHAB-KRWDZBQOSA-N 2 1 363.571 3.018 20 0 FGADMP CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000607383912 507715913 /nfs/dbraw/zinc/71/59/13/507715913.db2.gz GSTXIBGOOTWKLY-JOCHJYFZSA-N 2 1 365.521 3.315 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000480507777 514982399 /nfs/dbraw/zinc/98/23/99/514982399.db2.gz AOZMDUSSMKBNDI-LJQANCHMSA-N 2 1 351.498 3.401 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000480507777 514982411 /nfs/dbraw/zinc/98/24/11/514982411.db2.gz AOZMDUSSMKBNDI-LJQANCHMSA-N 2 1 351.498 3.401 20 0 FGADMP Cc1cc(NC(=O)CC[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)no1 ZINC000515346981 517311439 /nfs/dbraw/zinc/31/14/39/517311439.db2.gz KHJVDPOBUPSKPZ-MRXNPFEDSA-N 2 1 370.497 3.476 20 0 FGADMP c1ccc(CC[N@@H+]2CC[C@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000542764790 517724181 /nfs/dbraw/zinc/72/41/81/517724181.db2.gz RCJBJXSHZNZCPY-HXUWFJFHSA-N 2 1 365.525 3.443 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000542764790 517724189 /nfs/dbraw/zinc/72/41/89/517724189.db2.gz RCJBJXSHZNZCPY-HXUWFJFHSA-N 2 1 365.525 3.443 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[nH+]c1 ZINC000510530274 561837813 /nfs/dbraw/zinc/83/78/13/561837813.db2.gz ASEUCXUSLNXBEQ-KRWDZBQOSA-N 2 1 361.534 3.002 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[nH+]c1 ZINC000510530274 561837814 /nfs/dbraw/zinc/83/78/14/561837814.db2.gz ASEUCXUSLNXBEQ-KRWDZBQOSA-N 2 1 361.534 3.002 20 0 FGADMP CCc1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000525802709 568565582 /nfs/dbraw/zinc/56/55/82/568565582.db2.gz SIHFMMPBPQXWOF-LJQANCHMSA-N 2 1 369.509 3.186 20 0 FGADMP CCc1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)o2)cc1 ZINC000525802709 568565583 /nfs/dbraw/zinc/56/55/83/568565583.db2.gz SIHFMMPBPQXWOF-LJQANCHMSA-N 2 1 369.509 3.186 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585491 609133058 /nfs/dbraw/zinc/13/30/58/609133058.db2.gz RIIUIGFJUBIGKQ-LSDHHAIUSA-N 2 1 360.481 3.311 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000089139049 700382607 /nfs/dbraw/zinc/38/26/07/700382607.db2.gz AHROSKYZCPUOLX-GOSISDBHSA-N 2 1 353.551 3.488 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Br ZINC000154404585 705033210 /nfs/dbraw/zinc/03/32/10/705033210.db2.gz GDNCVJNNMOXSEQ-PBHICJAKSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Br ZINC000154404585 705033223 /nfs/dbraw/zinc/03/32/23/705033223.db2.gz GDNCVJNNMOXSEQ-PBHICJAKSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1Br ZINC000154404585 705033230 /nfs/dbraw/zinc/03/32/30/705033230.db2.gz GDNCVJNNMOXSEQ-PBHICJAKSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccccc1Br ZINC000154404585 705033233 /nfs/dbraw/zinc/03/32/33/705033233.db2.gz GDNCVJNNMOXSEQ-PBHICJAKSA-N 2 1 355.320 3.289 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000179903539 705720533 /nfs/dbraw/zinc/72/05/33/705720533.db2.gz FMNORELWEPIENM-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000179903539 705720537 /nfs/dbraw/zinc/72/05/37/705720537.db2.gz FMNORELWEPIENM-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903539 705720544 /nfs/dbraw/zinc/72/05/44/705720544.db2.gz FMNORELWEPIENM-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903539 705720546 /nfs/dbraw/zinc/72/05/46/705720546.db2.gz FMNORELWEPIENM-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000185303063 712691353 /nfs/dbraw/zinc/69/13/53/712691353.db2.gz BDASFFCYAZLKHY-ZWKOTPCHSA-N 2 1 367.877 3.106 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390891 712889374 /nfs/dbraw/zinc/88/93/74/712889374.db2.gz VGLOXKFBUGXBMZ-KSZLIROESA-N 2 1 351.535 3.286 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195187739 713548489 /nfs/dbraw/zinc/54/84/89/713548489.db2.gz RLMOKTZLICMNLW-BEFAXECRSA-N 2 1 350.507 3.064 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247578201 713642290 /nfs/dbraw/zinc/64/22/90/713642290.db2.gz SLMIPTIGXPZYNJ-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248393907 713648968 /nfs/dbraw/zinc/64/89/68/713648968.db2.gz XIASADRGYGGRTD-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000248393907 713648972 /nfs/dbraw/zinc/64/89/72/713648972.db2.gz XIASADRGYGGRTD-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000641804290 717931076 /nfs/dbraw/zinc/93/10/76/717931076.db2.gz HJSPNSKCMWJODT-QWRGUYRKSA-N 2 1 350.677 3.301 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000487568602 714099159 /nfs/dbraw/zinc/09/91/59/714099159.db2.gz ZGXQSUBMQDGCPH-GOSISDBHSA-N 2 1 357.523 3.267 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000523202792 714222627 /nfs/dbraw/zinc/22/26/27/714222627.db2.gz ASNQXMWPOOYVRS-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000523433273 714234512 /nfs/dbraw/zinc/23/45/12/714234512.db2.gz KZMPEJYUFBLUFZ-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)CC1 ZINC000615672207 714543779 /nfs/dbraw/zinc/54/37/79/714543779.db2.gz NRNYLOACELFCIL-ZWKOTPCHSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000615672207 714543781 /nfs/dbraw/zinc/54/37/81/714543781.db2.gz NRNYLOACELFCIL-ZWKOTPCHSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000615672207 714543783 /nfs/dbraw/zinc/54/37/83/714543783.db2.gz NRNYLOACELFCIL-ZWKOTPCHSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547097 714756228 /nfs/dbraw/zinc/75/62/28/714756228.db2.gz BNYFWZLJYLZQAA-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643524499 718037511 /nfs/dbraw/zinc/03/75/11/718037511.db2.gz QCJCTLJXCTVURV-VJUNAUMWSA-N 2 1 353.304 3.257 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384102 715323121 /nfs/dbraw/zinc/32/31/21/715323121.db2.gz OUWHEOIWXURNBC-MOPGFXCFSA-N 2 1 365.949 3.176 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624094959 715470680 /nfs/dbraw/zinc/47/06/80/715470680.db2.gz RCCCVOVXKAWMHT-QRQLOZEOSA-N 2 1 351.485 3.216 20 0 FGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)s2)cn1 ZINC000629653827 716328998 /nfs/dbraw/zinc/32/89/98/716328998.db2.gz GXHACRROBNKISG-FZMZJTMJSA-N 2 1 358.433 3.108 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)s2)cn1 ZINC000629653827 716329002 /nfs/dbraw/zinc/32/90/02/716329002.db2.gz GXHACRROBNKISG-FZMZJTMJSA-N 2 1 358.433 3.108 20 0 FGADMP [NH3+]C1(C[NH2+]Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCOCC1 ZINC000629654613 716329159 /nfs/dbraw/zinc/32/91/59/716329159.db2.gz NIIFATHXJMWXEQ-UHFFFAOYSA-N 2 1 356.310 3.322 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629657379 716332359 /nfs/dbraw/zinc/33/23/59/716332359.db2.gz XBJWYRFAMWPQCT-WFASDCNBSA-N 2 1 356.367 3.175 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629657379 716332364 /nfs/dbraw/zinc/33/23/64/716332364.db2.gz XBJWYRFAMWPQCT-WFASDCNBSA-N 2 1 356.367 3.175 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ncc(Br)s1 ZINC000635011523 717139477 /nfs/dbraw/zinc/13/94/77/717139477.db2.gz PZMHUGXHRWIBHW-JTQLQIEISA-N 2 1 352.301 3.402 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638293868 717431424 /nfs/dbraw/zinc/43/14/24/717431424.db2.gz MDQIYJAEPAJRML-WBAXXEDZSA-N 2 1 365.880 3.167 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638293868 717431433 /nfs/dbraw/zinc/43/14/33/717431433.db2.gz MDQIYJAEPAJRML-WBAXXEDZSA-N 2 1 365.880 3.167 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000638670014 717474701 /nfs/dbraw/zinc/47/47/01/717474701.db2.gz ZEVVGJWDXKDJHF-LBPRGKRZSA-N 2 1 358.313 3.166 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000644584918 718128991 /nfs/dbraw/zinc/12/89/91/718128991.db2.gz VABQAROBCNLSQH-TZIWHRDSSA-N 2 1 356.535 3.100 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000644584918 718128993 /nfs/dbraw/zinc/12/89/93/718128993.db2.gz VABQAROBCNLSQH-TZIWHRDSSA-N 2 1 356.535 3.100 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000646381006 718282331 /nfs/dbraw/zinc/28/23/31/718282331.db2.gz GDOLBCSOXFBTKZ-LNLFQRSKSA-N 2 1 363.933 3.181 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976828 718391287 /nfs/dbraw/zinc/39/12/87/718391287.db2.gz URYGHSUBBTVDCM-JQHSSLGASA-N 2 1 363.933 3.229 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000647980514 718391959 /nfs/dbraw/zinc/39/19/59/718391959.db2.gz QZNVLVSVNACZHJ-MELADBBJSA-N 2 1 370.324 3.102 20 0 FGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000648806458 718451873 /nfs/dbraw/zinc/45/18/73/718451873.db2.gz IVYCWYMPVKCOQT-RHSMWYFYSA-N 2 1 362.905 3.469 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307304 718502991 /nfs/dbraw/zinc/50/29/91/718502991.db2.gz GDZHZXQXESZGMF-MDASCCDHSA-N 2 1 357.885 3.292 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307304 718502995 /nfs/dbraw/zinc/50/29/95/718502995.db2.gz GDZHZXQXESZGMF-MDASCCDHSA-N 2 1 357.885 3.292 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000649343595 718505501 /nfs/dbraw/zinc/50/55/01/718505501.db2.gz JABQLMZYZZYFKA-MDASCCDHSA-N 2 1 357.885 3.119 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000649343595 718505505 /nfs/dbraw/zinc/50/55/05/718505505.db2.gz JABQLMZYZZYFKA-MDASCCDHSA-N 2 1 357.885 3.119 20 0 FGADMP O=C(C[NH2+]C1(c2ccccc2Cl)CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000649643297 718542621 /nfs/dbraw/zinc/54/26/21/718542621.db2.gz FZXBXMDJSKTFNH-UHFFFAOYSA-N 2 1 361.917 3.052 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706545 718716738 /nfs/dbraw/zinc/71/67/38/718716738.db2.gz NGIWJTARYGSDOU-BFYDXBDKSA-N 2 1 358.404 3.304 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC000650705719 718716926 /nfs/dbraw/zinc/71/69/26/718716926.db2.gz STXRKIDVAWZLNX-ZMSDIMECSA-N 2 1 353.304 3.167 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708145 718717482 /nfs/dbraw/zinc/71/74/82/718717482.db2.gz UIKRAZRBOYEEEF-LZLYRXPVSA-N 2 1 367.331 3.476 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708121 718717546 /nfs/dbraw/zinc/71/75/46/718717546.db2.gz TYGVBLVOWZSIQB-XYJFISCASA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707132 718717789 /nfs/dbraw/zinc/71/77/89/718717789.db2.gz YVCYYNYUYYRMHR-ZMSDIMECSA-N 2 1 358.404 3.304 20 0 FGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724081 718721192 /nfs/dbraw/zinc/72/11/92/718721192.db2.gz YCLNYJRCTANMCT-BFYDXBDKSA-N 2 1 368.905 3.218 20 0 FGADMP CN(C)c1[nH+]cc(CNc2ccc(SCC[NH+]3CCCC3)cc2)n1C ZINC000651960230 718894559 /nfs/dbraw/zinc/89/45/59/718894559.db2.gz YJEZDXXFHRMOQF-UHFFFAOYSA-N 2 1 359.543 3.286 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349262 718935267 /nfs/dbraw/zinc/93/52/67/718935267.db2.gz IHUFIZDGMMDCRB-ZVZYQTTQSA-N 2 1 361.511 3.430 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652354086 718935888 /nfs/dbraw/zinc/93/58/88/718935888.db2.gz MRMVGRPDYNGEBF-XJKSGUPXSA-N 2 1 353.894 3.127 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363927 718937288 /nfs/dbraw/zinc/93/72/88/718937288.db2.gz SISDMMOWIGOMPT-JEBQAFNWSA-N 2 1 356.869 3.219 20 0 FGADMP c1cn(-c2cc[nH+]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629614 719105976 /nfs/dbraw/zinc/10/59/76/719105976.db2.gz SWAPGAQODLAZLK-FPOVZHCZSA-N 2 1 359.477 3.368 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845347 719239494 /nfs/dbraw/zinc/23/94/94/719239494.db2.gz IZOZDRVTFZDFRS-YJBOKZPZSA-N 2 1 351.922 3.133 20 0 FGADMP CC(C)C[NH+]1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001164651878 719332003 /nfs/dbraw/zinc/33/20/03/719332003.db2.gz JWWMGAPEFSFTHL-UHFFFAOYSA-N 2 1 364.537 3.418 20 0 FGADMP c1ccc2c(c1)O[C@@H](CC[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CS2 ZINC000655779187 719339087 /nfs/dbraw/zinc/33/90/87/719339087.db2.gz FMZHJSFRBVCJDT-MSOLQXFVSA-N 2 1 362.539 3.163 20 0 FGADMP CC(C)Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657597602 719681486 /nfs/dbraw/zinc/68/14/86/719681486.db2.gz VLBQHJBCSOOLNW-GOSISDBHSA-N 2 1 359.539 3.198 20 0 FGADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000781919976 724612704 /nfs/dbraw/zinc/61/27/04/724612704.db2.gz UDELBJLKNJMSQB-NCYKPQTJSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000781919976 724612707 /nfs/dbraw/zinc/61/27/07/724612707.db2.gz UDELBJLKNJMSQB-NCYKPQTJSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O ZINC000781919976 724612708 /nfs/dbraw/zinc/61/27/08/724612708.db2.gz UDELBJLKNJMSQB-NCYKPQTJSA-N 2 1 354.579 3.123 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C2CC(CF)(CF)C2)[C@H](c2ccccc2)C1 ZINC000657833508 719718919 /nfs/dbraw/zinc/71/89/19/719718919.db2.gz GHKGUOYCZQKMSM-IBGZPJMESA-N 2 1 351.485 3.043 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657839324 719719482 /nfs/dbraw/zinc/71/94/82/719719482.db2.gz RUEHYVXWECWYSN-UHFFFAOYSA-N 2 1 351.485 3.002 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322423 719786025 /nfs/dbraw/zinc/78/60/25/719786025.db2.gz GWUPQIRRKCEHTK-SJLPKXTDSA-N 2 1 352.469 3.427 20 0 FGADMP C[NH2+][C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1Cl ZINC000659303450 719893339 /nfs/dbraw/zinc/89/33/39/719893339.db2.gz HQWHXSNYRFFCPY-KRWDZBQOSA-N 2 1 364.276 3.174 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659876353 719948953 /nfs/dbraw/zinc/94/89/53/719948953.db2.gz GPGPBKBEYKZDOX-LJQANCHMSA-N 2 1 351.579 3.323 20 0 FGADMP C[C@H](O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767958 720316211 /nfs/dbraw/zinc/31/62/11/720316211.db2.gz SFYKZHGWYVILDU-IQGAEYHTSA-N 2 1 366.933 3.030 20 0 FGADMP COc1ncc(Br)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293799 720410998 /nfs/dbraw/zinc/41/09/98/720410998.db2.gz NZKUYVPELZPGAA-AWEZNQCLSA-N 2 1 368.319 3.064 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000662293489 720411007 /nfs/dbraw/zinc/41/10/07/720411007.db2.gz LQBPWHNURBUCBA-HNNXBMFYSA-N 2 1 351.441 3.005 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294674 720411423 /nfs/dbraw/zinc/41/14/23/720411423.db2.gz DRPKMKUVKDMYJL-DOTOQJQBSA-N 2 1 361.555 3.447 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662482062 720433638 /nfs/dbraw/zinc/43/36/38/720433638.db2.gz RSRAVELLADPKTC-GUYCJALGSA-N 2 1 372.340 3.444 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589327 720443896 /nfs/dbraw/zinc/44/38/96/720443896.db2.gz AXQURVISKOPTHK-MLGOLLRUSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589327 720443900 /nfs/dbraw/zinc/44/39/00/720443900.db2.gz AXQURVISKOPTHK-MLGOLLRUSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000662824497 720461814 /nfs/dbraw/zinc/46/18/14/720461814.db2.gz WCKHFCHRRBZBCN-NHYWBVRUSA-N 2 1 356.297 3.045 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450621 720515955 /nfs/dbraw/zinc/51/59/55/720515955.db2.gz KGEHIUPHVINNFJ-CVEARBPZSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468786 720517863 /nfs/dbraw/zinc/51/78/63/720517863.db2.gz MSMZIKSJVXKDJM-HOCLYGCPSA-N 2 1 368.518 3.002 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468786 720517865 /nfs/dbraw/zinc/51/78/65/720517865.db2.gz MSMZIKSJVXKDJM-HOCLYGCPSA-N 2 1 368.518 3.002 20 0 FGADMP Cc1cc(C(F)(F)F)cc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000663731501 720544375 /nfs/dbraw/zinc/54/43/75/720544375.db2.gz MDJUIRCNGMJDTB-MRXNPFEDSA-N 2 1 357.420 3.490 20 0 FGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000665267047 720748448 /nfs/dbraw/zinc/74/84/48/720748448.db2.gz ORGIZUMZNUSFCG-KWCYVHTRSA-N 2 1 359.333 3.066 20 0 FGADMP CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165022095 721802640 /nfs/dbraw/zinc/80/26/40/721802640.db2.gz HVJMVHOHKZHALM-DFQSSKMNSA-N 2 1 365.525 3.280 20 0 FGADMP Cc1nc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000676840016 721835104 /nfs/dbraw/zinc/83/51/04/721835104.db2.gz VMFJASGLTIRYCP-CZUORRHYSA-N 2 1 364.584 3.461 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000677241516 721875746 /nfs/dbraw/zinc/87/57/46/721875746.db2.gz QBVWMGJPTLMJCL-ILXRZTDVSA-N 2 1 353.304 3.433 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000677241522 721875943 /nfs/dbraw/zinc/87/59/43/721875943.db2.gz QCFPEJOLZDZMCP-VNQPRFMTSA-N 2 1 353.304 3.433 20 0 FGADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000677244503 721876732 /nfs/dbraw/zinc/87/67/32/721876732.db2.gz CFAHKKLBMKOBHZ-OAHLLOKOSA-N 2 1 358.404 3.160 20 0 FGADMP CN(CC1CC[NH+](C)CC1)c1[nH+]cnc2c1ccn2Cc1cccc(F)c1 ZINC001165041298 721934275 /nfs/dbraw/zinc/93/42/75/721934275.db2.gz PMJHLNVDXKGMSW-UHFFFAOYSA-N 2 1 367.472 3.397 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000678139267 721941116 /nfs/dbraw/zinc/94/11/16/721941116.db2.gz PVXOKXNIXPACOT-UHFFFAOYSA-N 2 1 367.559 3.002 20 0 FGADMP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727704916 722446861 /nfs/dbraw/zinc/44/68/61/722446861.db2.gz KYSRVLMNNKXUBK-HNNXBMFYSA-N 2 1 360.571 3.427 20 0 FGADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738881421 722531898 /nfs/dbraw/zinc/53/18/98/722531898.db2.gz IQJKRRUHFBXQBL-RTBURBONSA-N 2 1 366.933 3.168 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667340 722613278 /nfs/dbraw/zinc/61/32/78/722613278.db2.gz IWJOIVNWSZKITF-CRAIPNDOSA-N 2 1 367.331 3.146 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667340 722613280 /nfs/dbraw/zinc/61/32/80/722613280.db2.gz IWJOIVNWSZKITF-CRAIPNDOSA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667340 722613281 /nfs/dbraw/zinc/61/32/81/722613281.db2.gz IWJOIVNWSZKITF-CRAIPNDOSA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667340 722613283 /nfs/dbraw/zinc/61/32/83/722613283.db2.gz IWJOIVNWSZKITF-CRAIPNDOSA-N 2 1 367.331 3.146 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955684 722669471 /nfs/dbraw/zinc/66/94/71/722669471.db2.gz JRWCOFOLWLPENZ-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780588 722956861 /nfs/dbraw/zinc/95/68/61/722956861.db2.gz ZSVNIHPONZJFHZ-WBVHZDCISA-N 2 1 363.571 3.046 20 0 FGADMP CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780588 722956862 /nfs/dbraw/zinc/95/68/62/722956862.db2.gz ZSVNIHPONZJFHZ-WBVHZDCISA-N 2 1 363.571 3.046 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000766251772 723564602 /nfs/dbraw/zinc/56/46/02/723564602.db2.gz FIEUNJIRSBNXLV-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC000796547496 723643052 /nfs/dbraw/zinc/64/30/52/723643052.db2.gz SSYALEMRECXXKV-RTBURBONSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)CC1 ZINC000796547496 723643053 /nfs/dbraw/zinc/64/30/53/723643053.db2.gz SSYALEMRECXXKV-RTBURBONSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000796547496 723643054 /nfs/dbraw/zinc/64/30/54/723643054.db2.gz SSYALEMRECXXKV-RTBURBONSA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)CC1 ZINC000796547496 723643055 /nfs/dbraw/zinc/64/30/55/723643055.db2.gz SSYALEMRECXXKV-RTBURBONSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CN3CCC[C@@H]3CO1)CCCO2 ZINC000768511845 723659668 /nfs/dbraw/zinc/65/96/68/723659668.db2.gz KEVGBMUUADDRMA-RVKKMQEKSA-N 2 1 350.890 3.315 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000771370403 723733662 /nfs/dbraw/zinc/73/36/62/723733662.db2.gz LCHBCXFXEKYHFN-GOEBONIOSA-N 2 1 364.946 3.436 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000772644901 723764655 /nfs/dbraw/zinc/76/46/55/723764655.db2.gz OTVGJLFFVIMPDT-CQSZACIVSA-N 2 1 366.937 3.197 20 0 FGADMP C[N@H+](CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000798948847 723978019 /nfs/dbraw/zinc/97/80/19/723978019.db2.gz SEUGGIAINPDCJN-HXUWFJFHSA-N 2 1 353.551 3.488 20 0 FGADMP C[N@@H+](CC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000798948847 723978021 /nfs/dbraw/zinc/97/80/21/723978021.db2.gz SEUGGIAINPDCJN-HXUWFJFHSA-N 2 1 353.551 3.488 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775590694 724004065 /nfs/dbraw/zinc/00/40/65/724004065.db2.gz OICFRLMLZHXCLU-KRWDZBQOSA-N 2 1 373.310 3.426 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775590694 724004070 /nfs/dbraw/zinc/00/40/70/724004070.db2.gz OICFRLMLZHXCLU-KRWDZBQOSA-N 2 1 373.310 3.426 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000775625241 724011860 /nfs/dbraw/zinc/01/18/60/724011860.db2.gz DSNYABLAGGWSIQ-NUEKZKHPSA-N 2 1 357.445 3.174 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621010 724011930 /nfs/dbraw/zinc/01/19/30/724011930.db2.gz GXHMXTGEHRMGDC-MHORFTMASA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)(C)OC(=O)NCC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000799360594 724018470 /nfs/dbraw/zinc/01/84/70/724018470.db2.gz OXDIFKPGCOWFFI-SFHVURJKSA-N 2 1 353.551 3.489 20 0 FGADMP COc1ccc(Cl)cc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000808442600 725201436 /nfs/dbraw/zinc/20/14/36/725201436.db2.gz HIXFGRJREHUTHX-UHFFFAOYSA-N 2 1 363.889 3.364 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)CCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000809644246 725255569 /nfs/dbraw/zinc/25/55/69/725255569.db2.gz GAPOPGMGHNDLBE-UHFFFAOYSA-N 2 1 368.547 3.084 20 0 FGADMP CC[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000812714988 726806120 /nfs/dbraw/zinc/80/61/20/726806120.db2.gz AZEMBMMZRSZUMJ-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641944 727184116 /nfs/dbraw/zinc/18/41/16/727184116.db2.gz KJEIJDNIQKGITC-VQTJNVASSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641944 727184123 /nfs/dbraw/zinc/18/41/23/727184123.db2.gz KJEIJDNIQKGITC-VQTJNVASSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641944 727184125 /nfs/dbraw/zinc/18/41/25/727184125.db2.gz KJEIJDNIQKGITC-VQTJNVASSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1SC(F)F)CC[NH2+]CC2 ZINC000818341024 727308194 /nfs/dbraw/zinc/30/81/94/727308194.db2.gz VEFRRIAOMNXICK-ZDUSSCGKSA-N 2 1 369.481 3.404 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818969401 727332427 /nfs/dbraw/zinc/33/24/27/727332427.db2.gz PBEMZJOYSQPUTB-INIZCTEOSA-N 2 1 373.310 3.474 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000819062190 727343449 /nfs/dbraw/zinc/34/34/49/727343449.db2.gz OMJFKRLONQOTJH-CRAIPNDOSA-N 2 1 373.324 3.260 20 0 FGADMP C[C@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220382 727359292 /nfs/dbraw/zinc/35/92/92/727359292.db2.gz NKUYDHSQIXIJQN-SJCJKPOMSA-N 2 1 371.294 3.036 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000823489259 729284948 /nfs/dbraw/zinc/28/49/48/729284948.db2.gz CNMGTRYOGRIFDP-KZNAEPCWSA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000823489259 729284951 /nfs/dbraw/zinc/28/49/51/729284951.db2.gz CNMGTRYOGRIFDP-KZNAEPCWSA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000823489259 729284953 /nfs/dbraw/zinc/28/49/53/729284953.db2.gz CNMGTRYOGRIFDP-KZNAEPCWSA-N 2 1 353.551 3.199 20 0 FGADMP Cc1c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000827856372 729436085 /nfs/dbraw/zinc/43/60/85/729436085.db2.gz NLJJMANRQHBDGA-INIZCTEOSA-N 2 1 362.543 3.159 20 0 FGADMP Cc1c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000827856372 729436086 /nfs/dbraw/zinc/43/60/86/729436086.db2.gz NLJJMANRQHBDGA-INIZCTEOSA-N 2 1 362.543 3.159 20 0 FGADMP [NH3+][C@H](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000831993439 729680589 /nfs/dbraw/zinc/68/05/89/729680589.db2.gz RUPZDOYPJUWGPM-QGZVFWFLSA-N 2 1 370.324 3.201 20 0 FGADMP [NH3+][C@@H](CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000831993438 729680707 /nfs/dbraw/zinc/68/07/07/729680707.db2.gz RUPZDOYPJUWGPM-KRWDZBQOSA-N 2 1 370.324 3.201 20 0 FGADMP C[C@H]1C[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063123 729854854 /nfs/dbraw/zinc/85/48/54/729854854.db2.gz HJNGQSZXNCYIEM-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842870782 730552181 /nfs/dbraw/zinc/55/21/81/730552181.db2.gz IEXAQLCOZOQBOT-XWTMOSNGSA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842870782 730552184 /nfs/dbraw/zinc/55/21/84/730552184.db2.gz IEXAQLCOZOQBOT-XWTMOSNGSA-N 2 1 353.551 3.340 20 0 FGADMP C[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CCC([NH3+])CC1 ZINC000843354197 730609773 /nfs/dbraw/zinc/60/97/73/730609773.db2.gz XOVVFWGMXNNSFX-LBXVMSDZSA-N 2 1 357.523 3.155 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529042 731176004 /nfs/dbraw/zinc/17/60/04/731176004.db2.gz QRIRFJDVXUVUAO-QZTJIDSGSA-N 2 1 373.324 3.260 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2F)cs1 ZINC000849110649 731230417 /nfs/dbraw/zinc/23/04/17/731230417.db2.gz MPWVALHLBVHFDW-ZDUSSCGKSA-N 2 1 361.490 3.047 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850434007 731356965 /nfs/dbraw/zinc/35/69/65/731356965.db2.gz TWQRAYWKSVXOTH-SQNIBIBYSA-N 2 1 367.331 3.223 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850434007 731356969 /nfs/dbraw/zinc/35/69/69/731356969.db2.gz TWQRAYWKSVXOTH-SQNIBIBYSA-N 2 1 367.331 3.223 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000850538675 731370992 /nfs/dbraw/zinc/37/09/92/731370992.db2.gz JWMIHOCYGABHHG-BZUAXINKSA-N 2 1 358.473 3.350 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000850538675 731370995 /nfs/dbraw/zinc/37/09/95/731370995.db2.gz JWMIHOCYGABHHG-BZUAXINKSA-N 2 1 358.473 3.350 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000851629950 731479786 /nfs/dbraw/zinc/47/97/86/731479786.db2.gz DBIOZMPTOXXESJ-HSMVNMDESA-N 2 1 358.313 3.243 20 0 FGADMP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500238 732220870 /nfs/dbraw/zinc/22/08/70/732220870.db2.gz YZGQURFCVAAJCH-SFFUCWETSA-N 2 1 351.535 3.237 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862216190 732787805 /nfs/dbraw/zinc/78/78/05/732787805.db2.gz UJVRQAXNTKEQTM-HNNXBMFYSA-N 2 1 361.477 3.047 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862216190 732787810 /nfs/dbraw/zinc/78/78/10/732787810.db2.gz UJVRQAXNTKEQTM-HNNXBMFYSA-N 2 1 361.477 3.047 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641078 733243623 /nfs/dbraw/zinc/24/36/23/733243623.db2.gz SMCOCTUVRQTWBG-ZIAGYGMSSA-N 2 1 367.456 3.154 20 0 FGADMP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000865716621 733258019 /nfs/dbraw/zinc/25/80/19/733258019.db2.gz BULGOWYXZVXIEV-UHFFFAOYSA-N 2 1 372.962 3.344 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000872149519 735595694 /nfs/dbraw/zinc/59/56/94/735595694.db2.gz NWSBXSHYGJTVNL-ZYHUDNBSSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000872149519 735595699 /nfs/dbraw/zinc/59/56/99/735595699.db2.gz NWSBXSHYGJTVNL-ZYHUDNBSSA-N 2 1 356.310 3.153 20 0 FGADMP COCC[N@H+](Cc1cc(Cl)c(OC)c(OC)c1)CC1CC[NH+](C)CC1 ZINC000877665025 736701949 /nfs/dbraw/zinc/70/19/49/736701949.db2.gz CZLWSCYGBKVLSS-UHFFFAOYSA-N 2 1 370.921 3.147 20 0 FGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000880254749 737142470 /nfs/dbraw/zinc/14/24/70/737142470.db2.gz MUBLBGLBYXBCFP-IBGZPJMESA-N 2 1 350.547 3.445 20 0 FGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441177 737566775 /nfs/dbraw/zinc/56/67/75/737566775.db2.gz JHNQHIHREZTVKB-DFQSSKMNSA-N 2 1 350.547 3.334 20 0 FGADMP COCCCC1(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC1 ZINC000891845019 739942856 /nfs/dbraw/zinc/94/28/56/739942856.db2.gz LBVCZEVWYNQOTO-BGYRXZFFSA-N 2 1 351.579 3.074 20 0 FGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903757110 743881061 /nfs/dbraw/zinc/88/10/61/743881061.db2.gz XWZDTNMAKURIJS-MBOZVWFJSA-N 2 1 364.917 3.199 20 0 FGADMP O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903884789 743892529 /nfs/dbraw/zinc/89/25/29/743892529.db2.gz ALPWGHAULFVWAD-QNBRMCRTSA-N 2 1 361.917 3.019 20 0 FGADMP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903887295 743892653 /nfs/dbraw/zinc/89/26/53/743892653.db2.gz YIDCOGGXTOFOQH-QNBRMCRTSA-N 2 1 361.917 3.019 20 0 FGADMP FC(F)Oc1cccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903900103 743894183 /nfs/dbraw/zinc/89/41/83/743894183.db2.gz ZXVWUVZKCZELLM-NPVYPNSJSA-N 2 1 352.425 3.192 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)[C@H]1c1cccs1 ZINC000905132239 743995051 /nfs/dbraw/zinc/99/50/51/743995051.db2.gz KZIHFQFKULBPJB-LMMKCTJWSA-N 2 1 366.571 3.024 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)[C@H]1c1cccs1 ZINC000905132239 743995053 /nfs/dbraw/zinc/99/50/53/743995053.db2.gz KZIHFQFKULBPJB-LMMKCTJWSA-N 2 1 366.571 3.024 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386559 758909025 /nfs/dbraw/zinc/90/90/25/758909025.db2.gz ICYHLNQZDXQZAG-BDXSIMOUSA-N 2 1 356.432 3.275 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C2 ZINC000922387418 758909255 /nfs/dbraw/zinc/90/92/55/758909255.db2.gz KRWDXRJNTCRZQR-WPNHUXKJSA-N 2 1 350.453 3.047 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@@H]1C(C)C ZINC000922396087 758914810 /nfs/dbraw/zinc/91/48/10/758914810.db2.gz ZZBKMZARVNLMRB-LMSBXDPUSA-N 2 1 354.585 3.429 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373718 759106919 /nfs/dbraw/zinc/10/69/19/759106919.db2.gz PBSREWXKAKRJRK-CZUORRHYSA-N 2 1 361.313 3.230 20 0 FGADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923373551 759106999 /nfs/dbraw/zinc/10/69/99/759106999.db2.gz ORDZDXAIUFQMKC-UYTSQGDYSA-N 2 1 356.436 3.460 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1OC ZINC000923495273 759132410 /nfs/dbraw/zinc/13/24/10/759132410.db2.gz BECTZDUBNIQSOU-DZGCQCFKSA-N 2 1 361.511 3.244 20 0 FGADMP Cc1c(Cl)cccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000925896140 759570244 /nfs/dbraw/zinc/57/02/44/759570244.db2.gz XWNDQTOFYVYAQX-IYBDPMFKSA-N 2 1 362.905 3.081 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccns3)C2)ccn1 ZINC000931094345 760773827 /nfs/dbraw/zinc/77/38/27/760773827.db2.gz NCRPHWCRDQWCRC-SFHVURJKSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3ccns3)C2)ccn1 ZINC000931094345 760773830 /nfs/dbraw/zinc/77/38/30/760773830.db2.gz NCRPHWCRDQWCRC-SFHVURJKSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3ccns3)C2)ccn1 ZINC000931094345 760773836 /nfs/dbraw/zinc/77/38/36/760773836.db2.gz NCRPHWCRDQWCRC-SFHVURJKSA-N 2 1 360.527 3.074 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000931350803 760836033 /nfs/dbraw/zinc/83/60/33/760836033.db2.gz YUQDFFXOTMRGPY-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@@H+]1C ZINC000968728313 762841901 /nfs/dbraw/zinc/84/19/01/762841901.db2.gz IBLIBPVKNUPCDO-MGPQQGTHSA-N 2 1 370.324 3.024 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@H+]1C ZINC000968728313 762841912 /nfs/dbraw/zinc/84/19/12/762841912.db2.gz IBLIBPVKNUPCDO-MGPQQGTHSA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000971566632 762914027 /nfs/dbraw/zinc/91/40/27/762914027.db2.gz IBRCWOOIQWPCNC-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000971566632 762914034 /nfs/dbraw/zinc/91/40/34/762914034.db2.gz IBRCWOOIQWPCNC-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC000971566632 762914035 /nfs/dbraw/zinc/91/40/35/762914035.db2.gz IBRCWOOIQWPCNC-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC000971566632 762914040 /nfs/dbraw/zinc/91/40/40/762914040.db2.gz IBRCWOOIQWPCNC-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000985443380 763931118 /nfs/dbraw/zinc/93/11/18/763931118.db2.gz YWJOBNXPNOIPEP-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC000985443380 763931121 /nfs/dbraw/zinc/93/11/21/763931121.db2.gz YWJOBNXPNOIPEP-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC000985443380 763931125 /nfs/dbraw/zinc/93/11/25/763931125.db2.gz YWJOBNXPNOIPEP-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1cccc(Cl)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996606375 765021412 /nfs/dbraw/zinc/02/14/12/765021412.db2.gz GXPQIGHDNABIEQ-NVXWUHKLSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000997094659 765045115 /nfs/dbraw/zinc/04/51/15/765045115.db2.gz VQPKTQOAYOOHFC-NZSAHSFTSA-N 2 1 351.579 3.370 20 0 FGADMP Cc1cccc(Cl)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998792294 765124136 /nfs/dbraw/zinc/12/41/36/765124136.db2.gz XELBLTVCADXJPK-RDHHWEPZSA-N 2 1 363.933 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000999204303 765147568 /nfs/dbraw/zinc/14/75/68/765147568.db2.gz DWNOKKPFYSUXAH-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105293 765974196 /nfs/dbraw/zinc/97/41/96/765974196.db2.gz YNMGUDORHUDRDU-AQDIXCGQSA-N 2 1 367.896 3.117 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001024447367 766053600 /nfs/dbraw/zinc/05/36/00/766053600.db2.gz UVWVWPLQHNOEKF-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001024447367 766053606 /nfs/dbraw/zinc/05/36/06/766053606.db2.gz UVWVWPLQHNOEKF-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001024447367 766053615 /nfs/dbraw/zinc/05/36/15/766053615.db2.gz UVWVWPLQHNOEKF-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001024447367 766053621 /nfs/dbraw/zinc/05/36/21/766053621.db2.gz UVWVWPLQHNOEKF-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2Cl)CC[N@H+]1C ZINC001027892839 766104894 /nfs/dbraw/zinc/10/48/94/766104894.db2.gz DYCBASRBNAGCSB-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001027892839 766104897 /nfs/dbraw/zinc/10/48/97/766104897.db2.gz DYCBASRBNAGCSB-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001027892839 766104901 /nfs/dbraw/zinc/10/49/01/766104901.db2.gz DYCBASRBNAGCSB-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001029741116 766151114 /nfs/dbraw/zinc/15/11/14/766151114.db2.gz JJKUNJMAWCCBTF-IJEWVQPXSA-N 2 1 369.962 3.022 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001029741116 766151117 /nfs/dbraw/zinc/15/11/17/766151117.db2.gz JJKUNJMAWCCBTF-IJEWVQPXSA-N 2 1 369.962 3.022 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001034216688 766233282 /nfs/dbraw/zinc/23/32/82/766233282.db2.gz JJOCSNLYBGNLCX-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001034216688 766233289 /nfs/dbraw/zinc/23/32/89/766233289.db2.gz JJOCSNLYBGNLCX-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001034216688 766233296 /nfs/dbraw/zinc/23/32/96/766233296.db2.gz JJOCSNLYBGNLCX-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001046330905 766586010 /nfs/dbraw/zinc/58/60/10/766586010.db2.gz WOOAQTNKFSTWON-NSHGMRRFSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001046330905 766586017 /nfs/dbraw/zinc/58/60/17/766586017.db2.gz WOOAQTNKFSTWON-NSHGMRRFSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001046330905 766586025 /nfs/dbraw/zinc/58/60/25/766586025.db2.gz WOOAQTNKFSTWON-NSHGMRRFSA-N 2 1 363.933 3.151 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)cn2)cn1 ZINC000282079685 257375673 /nfs/dbraw/zinc/37/56/73/257375673.db2.gz NWTHQARQQNCQPJ-GOSISDBHSA-N 2 1 362.481 3.180 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]21 ZINC000573608390 505577778 /nfs/dbraw/zinc/57/77/78/505577778.db2.gz OUDVVAHTTGPXKA-BHYGNILZSA-N 2 1 364.415 3.450 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(C4CC4)n3)CC2)CC1 ZINC000576765702 505588948 /nfs/dbraw/zinc/58/89/48/505588948.db2.gz PCIVTVBCMFKKJI-UHFFFAOYSA-N 2 1 356.514 3.094 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccc(F)cc4)CC3)CC2)CC1 ZINC000576835481 505606322 /nfs/dbraw/zinc/60/63/22/505606322.db2.gz CDRPTUIBWLEPHO-UHFFFAOYSA-N 2 1 373.516 3.127 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000576892323 505617922 /nfs/dbraw/zinc/61/79/22/505617922.db2.gz CLAJRMQRQNRVDM-RBUKOAKNSA-N 2 1 355.482 3.133 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000576892323 505617925 /nfs/dbraw/zinc/61/79/25/505617925.db2.gz CLAJRMQRQNRVDM-RBUKOAKNSA-N 2 1 355.482 3.133 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000573843480 505633860 /nfs/dbraw/zinc/63/38/60/505633860.db2.gz PRDFZQCDVUPYQQ-BQJUDKOJSA-N 2 1 355.526 3.017 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000579935324 505648835 /nfs/dbraw/zinc/64/88/35/505648835.db2.gz CSJZSZOBEYQLSQ-KKSFZXQISA-N 2 1 367.497 3.027 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000573949755 505658803 /nfs/dbraw/zinc/65/88/03/505658803.db2.gz AUBVZJCXQVVPBR-NEWSRXKRSA-N 2 1 367.497 3.309 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000047973001 493768430 /nfs/dbraw/zinc/76/84/30/493768430.db2.gz GVSURRDWSHRPQG-QHCPKHFHSA-N 2 1 369.553 3.370 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000068298945 493792229 /nfs/dbraw/zinc/79/22/29/493792229.db2.gz LVHSSPAUZKVJSJ-LJQANCHMSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000068298945 493792232 /nfs/dbraw/zinc/79/22/32/493792232.db2.gz LVHSSPAUZKVJSJ-LJQANCHMSA-N 2 1 361.917 3.220 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000075900310 493794640 /nfs/dbraw/zinc/79/46/40/493794640.db2.gz VTCABGDYIBYMFS-JXFKEZNVSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000075900310 493794644 /nfs/dbraw/zinc/79/46/44/493794644.db2.gz VTCABGDYIBYMFS-JXFKEZNVSA-N 2 1 361.505 3.198 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096398 493830805 /nfs/dbraw/zinc/83/08/05/493830805.db2.gz QAQBYAASUUUQFJ-DYVFJYSZSA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096398 493830810 /nfs/dbraw/zinc/83/08/10/493830810.db2.gz QAQBYAASUUUQFJ-DYVFJYSZSA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096398 493830814 /nfs/dbraw/zinc/83/08/14/493830814.db2.gz QAQBYAASUUUQFJ-DYVFJYSZSA-N 2 1 355.885 3.470 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000068594845 493846369 /nfs/dbraw/zinc/84/63/69/493846369.db2.gz IXBWIBJVPNOFII-MSOLQXFVSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000081334324 493873539 /nfs/dbraw/zinc/87/35/39/493873539.db2.gz XAKCSERCLDAMSQ-LJQANCHMSA-N 2 1 357.542 3.475 20 0 FGADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000058879966 493890351 /nfs/dbraw/zinc/89/03/51/493890351.db2.gz HDXUILYTUKIBQN-UHFFFAOYSA-N 2 1 373.928 3.362 20 0 FGADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000058879966 493890356 /nfs/dbraw/zinc/89/03/56/493890356.db2.gz HDXUILYTUKIBQN-UHFFFAOYSA-N 2 1 373.928 3.362 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572893 493920655 /nfs/dbraw/zinc/92/06/55/493920655.db2.gz ABZAXLHVKBCWEN-GHTZIAJQSA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572893 493920659 /nfs/dbraw/zinc/92/06/59/493920659.db2.gz ABZAXLHVKBCWEN-GHTZIAJQSA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572893 493920663 /nfs/dbraw/zinc/92/06/63/493920663.db2.gz ABZAXLHVKBCWEN-GHTZIAJQSA-N 2 1 357.542 3.234 20 0 FGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000069160326 493929393 /nfs/dbraw/zinc/92/93/93/493929393.db2.gz GZAQXWNNOXTWCZ-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000069160326 493929399 /nfs/dbraw/zinc/92/93/99/493929399.db2.gz GZAQXWNNOXTWCZ-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000076732663 493961127 /nfs/dbraw/zinc/96/11/27/493961127.db2.gz QHMLESVTFFLBOC-INIZCTEOSA-N 2 1 365.949 3.192 20 0 FGADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)NCc1ccccc1Cl ZINC000052005489 493998333 /nfs/dbraw/zinc/99/83/33/493998333.db2.gz VMGBAMQSAMLCAX-UHFFFAOYSA-N 2 1 363.933 3.297 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000069816676 494016346 /nfs/dbraw/zinc/01/63/46/494016346.db2.gz KFGSVAJFSSXABZ-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP O[C@H](CCc1ccccc1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000568450160 505696214 /nfs/dbraw/zinc/69/62/14/505696214.db2.gz LQAHWBNRYSBRNR-RBZQAINGSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568450160 505696218 /nfs/dbraw/zinc/69/62/18/505696218.db2.gz LQAHWBNRYSBRNR-RBZQAINGSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000568450160 505696222 /nfs/dbraw/zinc/69/62/22/505696222.db2.gz LQAHWBNRYSBRNR-RBZQAINGSA-N 2 1 364.533 3.434 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577280660 505699379 /nfs/dbraw/zinc/69/93/79/505699379.db2.gz CPUDEEUIBGGVGA-BHIYHBOVSA-N 2 1 369.509 3.274 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000568469226 505701692 /nfs/dbraw/zinc/70/16/92/505701692.db2.gz HYOKBHKAGYSBGD-GASCZTMLSA-N 2 1 353.457 3.251 20 0 FGADMP CC(C)C[N@@H+](CCN(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577305642 505703060 /nfs/dbraw/zinc/70/30/60/505703060.db2.gz JVMLERDVFGHWTM-UHFFFAOYSA-N 2 1 360.590 3.237 20 0 FGADMP CC(C)CN(CC[NH+](C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577305642 505703063 /nfs/dbraw/zinc/70/30/63/505703063.db2.gz JVMLERDVFGHWTM-UHFFFAOYSA-N 2 1 360.590 3.237 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000571308418 505703975 /nfs/dbraw/zinc/70/39/75/505703975.db2.gz KIKZZCTTXFTMNL-WTNAPCKOSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000571308418 505703977 /nfs/dbraw/zinc/70/39/77/505703977.db2.gz KIKZZCTTXFTMNL-WTNAPCKOSA-N 2 1 356.485 3.372 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054717449 494264196 /nfs/dbraw/zinc/26/41/96/494264196.db2.gz IWFIVOHKZYDBIO-GHTZIAJQSA-N 2 1 372.557 3.242 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000066179010 494284829 /nfs/dbraw/zinc/28/48/29/494284829.db2.gz HROYNFPAFIUMHB-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP c1ccc(CN2CCC[C@@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000089594588 494327480 /nfs/dbraw/zinc/32/74/80/494327480.db2.gz LXGVCMWQIUZVDI-JOCHJYFZSA-N 2 1 371.569 3.276 20 0 FGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594607 494327739 /nfs/dbraw/zinc/32/77/39/494327739.db2.gz NGFYRAZZKMUNHE-LJQANCHMSA-N 2 1 373.541 3.337 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCC(F)(F)F ZINC000079303764 494433576 /nfs/dbraw/zinc/43/35/76/494433576.db2.gz USPFKVJOZNSJTK-GJZGRUSLSA-N 2 1 371.447 3.218 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000079610327 494492198 /nfs/dbraw/zinc/49/21/98/494492198.db2.gz VYEPLRMAIZAUMI-RTBURBONSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000074189348 494494542 /nfs/dbraw/zinc/49/45/42/494494542.db2.gz JWLHVVDOKBCEJP-FQEVSTJZSA-N 2 1 368.525 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000074189348 494494543 /nfs/dbraw/zinc/49/45/43/494494543.db2.gz JWLHVVDOKBCEJP-FQEVSTJZSA-N 2 1 368.525 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000074249919 494504038 /nfs/dbraw/zinc/50/40/38/494504038.db2.gz SNNOPSIHCWDUHU-QGZVFWFLSA-N 2 1 374.554 3.487 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000074249919 494504044 /nfs/dbraw/zinc/50/40/44/494504044.db2.gz SNNOPSIHCWDUHU-QGZVFWFLSA-N 2 1 374.554 3.487 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H](OC(F)F)C1)C1CC[NH+](C)CC1 ZINC000580298630 505726185 /nfs/dbraw/zinc/72/61/85/505726185.db2.gz XZCFVJGKOJKNAT-KRWDZBQOSA-N 2 1 353.457 3.031 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079826163 494531273 /nfs/dbraw/zinc/53/12/73/494531273.db2.gz FYDGRJRAWZRPNW-OAQYLSRUSA-N 2 1 374.573 3.443 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000067458268 494545554 /nfs/dbraw/zinc/54/55/54/494545554.db2.gz OYURITIBGUKRTM-MRXNPFEDSA-N 2 1 357.498 3.416 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000056786997 494562898 /nfs/dbraw/zinc/56/28/98/494562898.db2.gz IDRVWHOXQKMODR-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000056786997 494562900 /nfs/dbraw/zinc/56/29/00/494562900.db2.gz IDRVWHOXQKMODR-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000056786997 494562904 /nfs/dbraw/zinc/56/29/04/494562904.db2.gz IDRVWHOXQKMODR-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000074710549 494578473 /nfs/dbraw/zinc/57/84/73/494578473.db2.gz FZABBXCGIADOFO-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc2ccccc2n1C ZINC000091312950 494581067 /nfs/dbraw/zinc/58/10/67/494581067.db2.gz KUGGFWLDGKPKGF-INIZCTEOSA-N 2 1 352.482 3.365 20 0 FGADMP CC[N@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC000131351932 494591211 /nfs/dbraw/zinc/59/12/11/494591211.db2.gz JSIQXTVWQZEHFU-OALUTQOASA-N 2 1 353.938 3.032 20 0 FGADMP CC[N@@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC000131351932 494591216 /nfs/dbraw/zinc/59/12/16/494591216.db2.gz JSIQXTVWQZEHFU-OALUTQOASA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000131351932 494591218 /nfs/dbraw/zinc/59/12/18/494591218.db2.gz JSIQXTVWQZEHFU-OALUTQOASA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000131351932 494591223 /nfs/dbraw/zinc/59/12/23/494591223.db2.gz JSIQXTVWQZEHFU-OALUTQOASA-N 2 1 353.938 3.032 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080138788 494608419 /nfs/dbraw/zinc/60/84/19/494608419.db2.gz OPYVYBOUEFQKCA-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080138788 494608427 /nfs/dbraw/zinc/60/84/27/494608427.db2.gz OPYVYBOUEFQKCA-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080138788 494608433 /nfs/dbraw/zinc/60/84/33/494608433.db2.gz OPYVYBOUEFQKCA-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067685711 494611116 /nfs/dbraw/zinc/61/11/16/494611116.db2.gz UTGHCDDEDUVMTJ-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321973 505732782 /nfs/dbraw/zinc/73/27/82/505732782.db2.gz KZKQFCMXZHGGRN-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580321973 505732784 /nfs/dbraw/zinc/73/27/84/505732784.db2.gz KZKQFCMXZHGGRN-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580321973 505732786 /nfs/dbraw/zinc/73/27/86/505732786.db2.gz KZKQFCMXZHGGRN-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2ccco2)CC1 ZINC000092562461 494671429 /nfs/dbraw/zinc/67/14/29/494671429.db2.gz DHCIXQFESIGQCM-UHFFFAOYSA-N 2 1 357.498 3.070 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)Cc2ccco2)CC1 ZINC000092562461 494671432 /nfs/dbraw/zinc/67/14/32/494671432.db2.gz DHCIXQFESIGQCM-UHFFFAOYSA-N 2 1 357.498 3.070 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000092587066 494677226 /nfs/dbraw/zinc/67/72/26/494677226.db2.gz HUPJSVGXVOXQIM-HUUCEWRRSA-N 2 1 371.447 3.422 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(OC)c1 ZINC000092586979 494677999 /nfs/dbraw/zinc/67/79/99/494677999.db2.gz GFWBUIRYPMASGE-CALCHBBNSA-N 2 1 362.514 3.025 20 0 FGADMP CCCCNC(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574281455 505737108 /nfs/dbraw/zinc/73/71/08/505737108.db2.gz UCVCPZPFJSYSRX-IRXDYDNUSA-N 2 1 351.560 3.115 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561911 494741114 /nfs/dbraw/zinc/74/11/14/494741114.db2.gz MPQQLANEMOYYSJ-PZJWPPBQSA-N 2 1 372.557 3.101 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000108573501 494742430 /nfs/dbraw/zinc/74/24/30/494742430.db2.gz RUYSKHHQBDZYHN-OAQYLSRUSA-N 2 1 372.557 3.060 20 0 FGADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821457 494763033 /nfs/dbraw/zinc/76/30/33/494763033.db2.gz QNWRXXFIHCVTER-ZWKOTPCHSA-N 2 1 360.546 3.313 20 0 FGADMP CCO[C@H](C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821175 494764118 /nfs/dbraw/zinc/76/41/18/494764118.db2.gz LCYYMKJXEVZTDU-MRXNPFEDSA-N 2 1 373.501 3.301 20 0 FGADMP CCO[C@H](C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821175 494764123 /nfs/dbraw/zinc/76/41/23/494764123.db2.gz LCYYMKJXEVZTDU-MRXNPFEDSA-N 2 1 373.501 3.301 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCCC(C)(C)C ZINC000092821048 494764193 /nfs/dbraw/zinc/76/41/93/494764193.db2.gz ZFYXOXDHVUWYCT-UHFFFAOYSA-N 2 1 360.546 3.172 20 0 FGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821319 494764630 /nfs/dbraw/zinc/76/46/30/494764630.db2.gz MHVPGSGRJRPMAO-KDURUIRLSA-N 2 1 372.557 3.124 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000132050854 494807982 /nfs/dbraw/zinc/80/79/82/494807982.db2.gz TYUTXEOLOMKLRP-GOSISDBHSA-N 2 1 352.567 3.059 20 0 FGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OCC(F)(F)F ZINC000093088935 494825004 /nfs/dbraw/zinc/82/50/04/494825004.db2.gz SWFMLKOXHHUDAT-UHFFFAOYSA-N 2 1 360.420 3.410 20 0 FGADMP COc1ccc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)ccc2c1 ZINC000093146898 494834389 /nfs/dbraw/zinc/83/43/89/494834389.db2.gz SHKYGBRHRVKRJY-QFIPXVFZSA-N 2 1 367.537 3.450 20 0 FGADMP COc1ccc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)ccc2c1 ZINC000093146898 494834392 /nfs/dbraw/zinc/83/43/92/494834392.db2.gz SHKYGBRHRVKRJY-QFIPXVFZSA-N 2 1 367.537 3.450 20 0 FGADMP FC(F)CN1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126831377 494845942 /nfs/dbraw/zinc/84/59/42/494845942.db2.gz WPAHSHCQICOQKN-OAHLLOKOSA-N 2 1 357.514 3.279 20 0 FGADMP FC(F)CN1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126831377 494845947 /nfs/dbraw/zinc/84/59/47/494845947.db2.gz WPAHSHCQICOQKN-OAHLLOKOSA-N 2 1 357.514 3.279 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392828 505748243 /nfs/dbraw/zinc/74/82/43/505748243.db2.gz YYBBTMBGCWWUIT-AFXVXQJMSA-N 2 1 372.553 3.462 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000093639081 494906214 /nfs/dbraw/zinc/90/62/14/494906214.db2.gz XQWFPMUAOVTIRZ-UNMCSNQZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000093639081 494906218 /nfs/dbraw/zinc/90/62/18/494906218.db2.gz XQWFPMUAOVTIRZ-UNMCSNQZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000093639081 494906224 /nfs/dbraw/zinc/90/62/24/494906224.db2.gz XQWFPMUAOVTIRZ-UNMCSNQZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000093639081 494906226 /nfs/dbraw/zinc/90/62/26/494906226.db2.gz XQWFPMUAOVTIRZ-UNMCSNQZSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000093639081 494906231 /nfs/dbraw/zinc/90/62/31/494906231.db2.gz XQWFPMUAOVTIRZ-UNMCSNQZSA-N 2 1 372.601 3.381 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639041 494906314 /nfs/dbraw/zinc/90/63/14/494906314.db2.gz JTPVYPCBDTUFGE-QAPCUYQASA-N 2 1 360.498 3.173 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639041 494906318 /nfs/dbraw/zinc/90/63/18/494906318.db2.gz JTPVYPCBDTUFGE-QAPCUYQASA-N 2 1 360.498 3.173 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639041 494906321 /nfs/dbraw/zinc/90/63/21/494906321.db2.gz JTPVYPCBDTUFGE-QAPCUYQASA-N 2 1 360.498 3.173 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639041 494906324 /nfs/dbraw/zinc/90/63/24/494906324.db2.gz JTPVYPCBDTUFGE-QAPCUYQASA-N 2 1 360.498 3.173 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)no1 ZINC000093683805 494910790 /nfs/dbraw/zinc/91/07/90/494910790.db2.gz GLXKGAXJXVMVKS-IBGZPJMESA-N 2 1 370.497 3.265 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)cc2)no1 ZINC000093683805 494910796 /nfs/dbraw/zinc/91/07/96/494910796.db2.gz GLXKGAXJXVMVKS-IBGZPJMESA-N 2 1 370.497 3.265 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000109787867 494917841 /nfs/dbraw/zinc/91/78/41/494917841.db2.gz YALNQAPQTCMSTR-UHFFFAOYSA-N 2 1 370.545 3.317 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000093769494 494918748 /nfs/dbraw/zinc/91/87/48/494918748.db2.gz NBELAEZCDNGQRO-UHFFFAOYSA-N 2 1 350.551 3.209 20 0 FGADMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132792869 494925376 /nfs/dbraw/zinc/92/53/76/494925376.db2.gz UNGMDEZRALQLJI-UHFFFAOYSA-N 3 1 372.601 3.429 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000127369763 494934654 /nfs/dbraw/zinc/93/46/54/494934654.db2.gz LMJAKCSICAKDOB-NEWSRXKRSA-N 2 1 364.578 3.011 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@@H]1CSCC[NH2+]1)C1CCCCC1 ZINC000133354501 495004607 /nfs/dbraw/zinc/00/46/07/495004607.db2.gz ZPTZXGXVNIJFNJ-QGZVFWFLSA-N 2 1 361.555 3.485 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000574366091 505755604 /nfs/dbraw/zinc/75/56/04/505755604.db2.gz MUJZKOAGZUBTLP-FQUBMZHMSA-N 2 1 372.459 3.437 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000574366091 505755607 /nfs/dbraw/zinc/75/56/07/505755607.db2.gz MUJZKOAGZUBTLP-FQUBMZHMSA-N 2 1 372.459 3.437 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122741070 495023353 /nfs/dbraw/zinc/02/33/53/495023353.db2.gz CCZGPSAILQBDSY-FQEVSTJZSA-N 2 1 365.949 3.176 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029110 /nfs/dbraw/zinc/02/91/10/495029110.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029113 /nfs/dbraw/zinc/02/91/13/495029113.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029115 /nfs/dbraw/zinc/02/91/15/495029115.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029119 /nfs/dbraw/zinc/02/91/19/495029119.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774002 495029120 /nfs/dbraw/zinc/02/91/20/495029120.db2.gz YDAXFPWPTPOECV-OFNKIYASSA-N 2 1 373.585 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008297 495030901 /nfs/dbraw/zinc/03/09/01/495030901.db2.gz ZZEAKHHGVUMLDS-FPCVCCKLSA-N 2 1 353.457 3.185 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128015825 495031489 /nfs/dbraw/zinc/03/14/89/495031489.db2.gz ZTBWQZMULPMCNV-IRXDYDNUSA-N 2 1 369.509 3.086 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122812652 495034365 /nfs/dbraw/zinc/03/43/65/495034365.db2.gz SXNXPZYTUDWUIZ-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000128079454 495041418 /nfs/dbraw/zinc/04/14/18/495041418.db2.gz JPBJKEZFKOSGCF-WIYYLYMNSA-N 2 1 374.573 3.400 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000118963300 495059433 /nfs/dbraw/zinc/05/94/33/495059433.db2.gz QQMFIDZPWDAOPK-BEFAXECRSA-N 2 1 354.922 3.241 20 0 FGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128431237 495095830 /nfs/dbraw/zinc/09/58/30/495095830.db2.gz AZFCBVJKKDVQKU-KRWDZBQOSA-N 2 1 369.500 3.226 20 0 FGADMP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000577593025 505760767 /nfs/dbraw/zinc/76/07/67/505760767.db2.gz KHQUBDJUDZSWFP-RTBURBONSA-N 2 1 357.885 3.293 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000123219612 495099090 /nfs/dbraw/zinc/09/90/90/495099090.db2.gz DERQEOMBDBCKLP-UZLBHIALSA-N 2 1 367.497 3.121 20 0 FGADMP Cc1ccc(C[N@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000102773252 495160445 /nfs/dbraw/zinc/16/04/45/495160445.db2.gz BTOOTXIQIUWTJY-UHFFFAOYSA-N 2 1 371.550 3.401 20 0 FGADMP Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000102773252 495160448 /nfs/dbraw/zinc/16/04/48/495160448.db2.gz BTOOTXIQIUWTJY-UHFFFAOYSA-N 2 1 371.550 3.401 20 0 FGADMP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000129222706 495213417 /nfs/dbraw/zinc/21/34/17/495213417.db2.gz GWEZIURHKGDZNV-LJQANCHMSA-N 2 1 360.498 3.079 20 0 FGADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000129222706 495213420 /nfs/dbraw/zinc/21/34/20/495213420.db2.gz GWEZIURHKGDZNV-LJQANCHMSA-N 2 1 360.498 3.079 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590876 505767753 /nfs/dbraw/zinc/76/77/53/505767753.db2.gz CVIWOWHGNKHDEY-WAOWUJCRSA-N 2 1 355.526 3.085 20 0 FGADMP COC(=O)C1(c2ccccc2)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000124174623 495246391 /nfs/dbraw/zinc/24/63/91/495246391.db2.gz WRDRHLSJTOWDJA-UHFFFAOYSA-N 2 1 355.482 3.179 20 0 FGADMP Cc1noc(C)c1CC[N@@H+](C)[C@@H]1CCC[NH+](CCc2c(C)noc2C)CC1 ZINC000120066235 495300001 /nfs/dbraw/zinc/30/00/01/495300001.db2.gz IRLNKHZZTHUQJX-LJQANCHMSA-N 2 1 374.529 3.468 20 0 FGADMP Cc1noc(C)c1CC[N@H+](C)[C@@H]1CCC[NH+](CCc2c(C)noc2C)CC1 ZINC000120066235 495300007 /nfs/dbraw/zinc/30/00/07/495300007.db2.gz IRLNKHZZTHUQJX-LJQANCHMSA-N 2 1 374.529 3.468 20 0 FGADMP Cc1noc(C)c1CC[NH+](C)[C@@H]1CCC[N@H+](CCc2c(C)noc2C)CC1 ZINC000120066235 495300012 /nfs/dbraw/zinc/30/00/12/495300012.db2.gz IRLNKHZZTHUQJX-LJQANCHMSA-N 2 1 374.529 3.468 20 0 FGADMP Cc1noc(C)c1CC[NH+](C)[C@@H]1CCC[N@@H+](CCc2c(C)noc2C)CC1 ZINC000120066235 495300017 /nfs/dbraw/zinc/30/00/17/495300017.db2.gz IRLNKHZZTHUQJX-LJQANCHMSA-N 2 1 374.529 3.468 20 0 FGADMP CC(C)CC[C@H]1CCC[C@@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241526 495347748 /nfs/dbraw/zinc/34/77/48/495347748.db2.gz WHXORIJTFUSTPI-QUCCMNQESA-N 2 1 366.594 3.259 20 0 FGADMP CCC[C@H](Cc1ccccc1)NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241247 495348199 /nfs/dbraw/zinc/34/81/99/495348199.db2.gz BDMBZLKOAXDWHT-HXUWFJFHSA-N 2 1 374.573 3.065 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480477 495365685 /nfs/dbraw/zinc/36/56/85/495365685.db2.gz AKQAHMJMLNGMGM-CJNGLKHVSA-N 2 1 352.404 3.321 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCCC1 ZINC000136688089 495395137 /nfs/dbraw/zinc/39/51/37/495395137.db2.gz JYBYHTBUWHCISD-AQNXPRMDSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106166270 495422113 /nfs/dbraw/zinc/42/21/13/495422113.db2.gz LPHMVEXYJHBQJU-JKSUJKDBSA-N 2 1 372.488 3.080 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000138198214 495457387 /nfs/dbraw/zinc/45/73/87/495457387.db2.gz MTECDYLZOOJDGY-FGTMMUONSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O ZINC000138198214 495457389 /nfs/dbraw/zinc/45/73/89/495457389.db2.gz MTECDYLZOOJDGY-FGTMMUONSA-N 2 1 361.530 3.043 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106528718 495463107 /nfs/dbraw/zinc/46/31/07/495463107.db2.gz BFTPHCGZZAQZKM-HXUWFJFHSA-N 2 1 370.541 3.099 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106789524 495496731 /nfs/dbraw/zinc/49/67/31/495496731.db2.gz IJLRQKOTLASMPU-IBGZPJMESA-N 2 1 373.541 3.154 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125882682 495513721 /nfs/dbraw/zinc/51/37/21/495513721.db2.gz SZYKVTYWHKUQAT-IAGOWNOFSA-N 2 1 367.559 3.219 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544538 495535063 /nfs/dbraw/zinc/53/50/63/495535063.db2.gz HZVIITUKNYLBMS-WIYYLYMNSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544538 495535069 /nfs/dbraw/zinc/53/50/69/495535069.db2.gz HZVIITUKNYLBMS-WIYYLYMNSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC1 ZINC000158544538 495535074 /nfs/dbraw/zinc/53/50/74/495535074.db2.gz HZVIITUKNYLBMS-WIYYLYMNSA-N 2 1 372.557 3.165 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)CC[N@@H+](C)C3CC3)c2)CC1 ZINC000185336144 495537003 /nfs/dbraw/zinc/53/70/03/495537003.db2.gz QPPRGCHGOSKUGW-UHFFFAOYSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176191305 495538737 /nfs/dbraw/zinc/53/87/37/495538737.db2.gz IVROYGJGMWHNDO-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000571678917 505788824 /nfs/dbraw/zinc/78/88/24/505788824.db2.gz BSVKYMTYOPIDBE-QGZVFWFLSA-N 2 1 361.486 3.488 20 0 FGADMP CCn1nccc1CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580574519 505789300 /nfs/dbraw/zinc/78/93/00/505789300.db2.gz YBUYVNZVRBXHFM-QFIPXVFZSA-N 2 1 352.526 3.434 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580574519 505789302 /nfs/dbraw/zinc/78/93/02/505789302.db2.gz YBUYVNZVRBXHFM-QFIPXVFZSA-N 2 1 352.526 3.434 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580574519 505789303 /nfs/dbraw/zinc/78/93/03/505789303.db2.gz YBUYVNZVRBXHFM-QFIPXVFZSA-N 2 1 352.526 3.434 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000158666267 495561849 /nfs/dbraw/zinc/56/18/49/495561849.db2.gz MFABSYLYHKSFTH-KDURUIRLSA-N 2 1 366.594 3.308 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000158709437 495573683 /nfs/dbraw/zinc/57/36/83/495573683.db2.gz WGGAQMBAVFDFFN-PGRDOPGGSA-N 2 1 365.521 3.355 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000158709437 495573687 /nfs/dbraw/zinc/57/36/87/495573687.db2.gz WGGAQMBAVFDFFN-PGRDOPGGSA-N 2 1 365.521 3.355 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@@H+]1C ZINC000154317072 495578660 /nfs/dbraw/zinc/57/86/60/495578660.db2.gz QZQBJNLBFRCULS-FXAWDEMLSA-N 2 1 368.525 3.378 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@H+]1C ZINC000154317072 495578664 /nfs/dbraw/zinc/57/86/64/495578664.db2.gz QZQBJNLBFRCULS-FXAWDEMLSA-N 2 1 368.525 3.378 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000154360851 495592786 /nfs/dbraw/zinc/59/27/86/495592786.db2.gz HATOLEAKYXJNJB-OAHLLOKOSA-N 2 1 354.336 3.127 20 0 FGADMP CCOC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](COCC)C3)c2)C1 ZINC000176332396 495604692 /nfs/dbraw/zinc/60/46/92/495604692.db2.gz HCXRXZZUXUSDQW-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000176332396 495604698 /nfs/dbraw/zinc/60/46/98/495604698.db2.gz HCXRXZZUXUSDQW-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000176332396 495604705 /nfs/dbraw/zinc/60/47/05/495604705.db2.gz HCXRXZZUXUSDQW-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1ccc(F)c(N2CCC[C@H](N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)C2=O)c1 ZINC000158884087 495608976 /nfs/dbraw/zinc/60/89/76/495608976.db2.gz AYBWBLWLNJGIGZ-QRQLOZEOSA-N 2 1 359.489 3.046 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000154429125 495613526 /nfs/dbraw/zinc/61/35/26/495613526.db2.gz ZASLKYHBMBNGTM-QGZVFWFLSA-N 2 1 358.555 3.488 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000173618458 495617171 /nfs/dbraw/zinc/61/71/71/495617171.db2.gz WZFOFSFMOZQRQF-AWEZNQCLSA-N 2 1 369.912 3.288 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618872 495617538 /nfs/dbraw/zinc/61/75/38/495617538.db2.gz SQZKPFNKEMHJMJ-HUUCEWRRSA-N 2 1 351.922 3.368 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150818381 495644730 /nfs/dbraw/zinc/64/47/30/495644730.db2.gz WCSQLALTYVAQOB-HNNXBMFYSA-N 2 1 365.905 3.095 20 0 FGADMP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159064900 495648453 /nfs/dbraw/zinc/64/84/53/495648453.db2.gz RQCFUAMGQPQKBM-YADHBBJMSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159064900 495648459 /nfs/dbraw/zinc/64/84/59/495648459.db2.gz RQCFUAMGQPQKBM-YADHBBJMSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000159064900 495648463 /nfs/dbraw/zinc/64/84/63/495648463.db2.gz RQCFUAMGQPQKBM-YADHBBJMSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000159064900 495648470 /nfs/dbraw/zinc/64/84/70/495648470.db2.gz RQCFUAMGQPQKBM-YADHBBJMSA-N 2 1 363.505 3.272 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691495 495681007 /nfs/dbraw/zinc/68/10/07/495681007.db2.gz NQAMXSJOHDDRIL-SVFBPWRDSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691495 495681012 /nfs/dbraw/zinc/68/10/12/495681012.db2.gz NQAMXSJOHDDRIL-SVFBPWRDSA-N 2 1 371.569 3.285 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000171038783 495699235 /nfs/dbraw/zinc/69/92/35/495699235.db2.gz ZKJXSZSBNBPQRH-UHFFFAOYSA-N 2 1 352.567 3.157 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883901 495731132 /nfs/dbraw/zinc/73/11/32/495731132.db2.gz SKELIQBRAYTHSQ-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883901 495731139 /nfs/dbraw/zinc/73/11/39/495731139.db2.gz SKELIQBRAYTHSQ-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883901 495731145 /nfs/dbraw/zinc/73/11/45/495731145.db2.gz SKELIQBRAYTHSQ-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883901 495731150 /nfs/dbraw/zinc/73/11/50/495731150.db2.gz SKELIQBRAYTHSQ-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883901 495731156 /nfs/dbraw/zinc/73/11/56/495731156.db2.gz SKELIQBRAYTHSQ-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000174069633 495810199 /nfs/dbraw/zinc/81/01/99/495810199.db2.gz FQFIRSPCZKVCGR-JXFKEZNVSA-N 2 1 369.484 3.374 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1 ZINC000183136109 495849090 /nfs/dbraw/zinc/84/90/90/495849090.db2.gz BTLOAFBYLGJUHG-INIZCTEOSA-N 2 1 360.461 3.421 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387182 495850939 /nfs/dbraw/zinc/85/09/39/495850939.db2.gz GSDOQUPGGSUAAG-QGZVFWFLSA-N 2 1 366.509 3.370 20 0 FGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccco1 ZINC000180157024 495883847 /nfs/dbraw/zinc/88/38/47/495883847.db2.gz KLENGEUVPGBRHN-UWHLTILDSA-N 2 1 353.510 3.383 20 0 FGADMP CNC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174402721 495942677 /nfs/dbraw/zinc/94/26/77/495942677.db2.gz VZGMVWOSXFAARI-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174402721 495942683 /nfs/dbraw/zinc/94/26/83/495942683.db2.gz VZGMVWOSXFAARI-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174402721 495942687 /nfs/dbraw/zinc/94/26/87/495942687.db2.gz VZGMVWOSXFAARI-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174402721 495942693 /nfs/dbraw/zinc/94/26/93/495942693.db2.gz VZGMVWOSXFAARI-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000171598383 495943408 /nfs/dbraw/zinc/94/34/08/495943408.db2.gz YIDMRTXHPDSMJR-LJQANCHMSA-N 2 1 372.557 3.202 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cccc(C(N)=O)c1 ZINC000174452356 495964333 /nfs/dbraw/zinc/96/43/33/495964333.db2.gz BRRVYRUVYROVHD-UHFFFAOYSA-N 2 1 363.461 3.300 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000177507344 496090936 /nfs/dbraw/zinc/09/09/36/496090936.db2.gz AJSMNQUXTLCHMW-RTBURBONSA-N 2 1 373.541 3.145 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177507356 496091333 /nfs/dbraw/zinc/09/13/33/496091333.db2.gz AJSMNQUXTLCHMW-OALUTQOASA-N 2 1 373.541 3.145 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000174770191 496099405 /nfs/dbraw/zinc/09/94/05/496099405.db2.gz MSDKEIXSZROPHK-UHFFFAOYSA-N 2 1 357.542 3.060 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600650 496128115 /nfs/dbraw/zinc/12/81/15/496128115.db2.gz DUAQIQZILNMYBO-FXAWDEMLSA-N 2 1 361.505 3.199 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152366784 496128843 /nfs/dbraw/zinc/12/88/43/496128843.db2.gz BGZGBLQRLWQSSJ-HNNXBMFYSA-N 2 1 361.917 3.019 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000172044753 496139911 /nfs/dbraw/zinc/13/99/11/496139911.db2.gz SNRUOFITSVRLQF-UHFFFAOYSA-N 2 1 354.498 3.309 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152491111 496167184 /nfs/dbraw/zinc/16/71/84/496167184.db2.gz PJNIAEGLINZDML-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152491111 496167189 /nfs/dbraw/zinc/16/71/89/496167189.db2.gz PJNIAEGLINZDML-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152491111 496167193 /nfs/dbraw/zinc/16/71/93/496167193.db2.gz PJNIAEGLINZDML-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000152502342 496170672 /nfs/dbraw/zinc/17/06/72/496170672.db2.gz QZEIAVZXWDWHOD-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000152502342 496170678 /nfs/dbraw/zinc/17/06/78/496170678.db2.gz QZEIAVZXWDWHOD-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152502342 496170682 /nfs/dbraw/zinc/17/06/82/496170682.db2.gz QZEIAVZXWDWHOD-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000174943093 496174652 /nfs/dbraw/zinc/17/46/52/496174652.db2.gz YDHVPAXPQGZZKZ-OALUTQOASA-N 2 1 372.557 3.278 20 0 FGADMP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000174993506 496198285 /nfs/dbraw/zinc/19/82/85/496198285.db2.gz LFTACOGCGRXCOS-WIYYLYMNSA-N 2 1 357.542 3.408 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnn(CC)c3)CC2)cs1 ZINC000161784989 496237055 /nfs/dbraw/zinc/23/70/55/496237055.db2.gz GNPSYWUWBRULSD-OAHLLOKOSA-N 2 1 361.559 3.485 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000181049161 496252783 /nfs/dbraw/zinc/25/27/83/496252783.db2.gz SERXRBGJAHUBAR-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000181101743 496270649 /nfs/dbraw/zinc/27/06/49/496270649.db2.gz FILMHHAJJCRGSP-MNEFBYGVSA-N 2 1 354.922 3.100 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000184233715 496296821 /nfs/dbraw/zinc/29/68/21/496296821.db2.gz FCLZUHWALUWPDL-ICSRJNTNSA-N 2 1 357.542 3.455 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000178034077 496296879 /nfs/dbraw/zinc/29/68/79/496296879.db2.gz ARXQLAJSRRDHOK-FUHIMQAGSA-N 2 1 362.514 3.388 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000178034919 496297976 /nfs/dbraw/zinc/29/79/76/496297976.db2.gz QBSRLDBTBSABAD-ITTUMRLJSA-N 2 1 359.558 3.128 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187160259 496319642 /nfs/dbraw/zinc/31/96/42/496319642.db2.gz VHWJTJRLPONBCA-WDEREUQCSA-N 2 1 355.255 3.475 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccs1 ZINC000172507684 496321240 /nfs/dbraw/zinc/32/12/40/496321240.db2.gz XKIWZZPVVVJHCI-KRWDZBQOSA-N 2 1 364.559 3.011 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000156734765 496321559 /nfs/dbraw/zinc/32/15/59/496321559.db2.gz KTYWJNGOBWTCBB-IBGZPJMESA-N 2 1 374.573 3.306 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881654 505837183 /nfs/dbraw/zinc/83/71/83/505837183.db2.gz WUEHYMYUZKFPOC-AZUAARDMSA-N 2 1 358.526 3.357 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881654 505837186 /nfs/dbraw/zinc/83/71/86/505837186.db2.gz WUEHYMYUZKFPOC-AZUAARDMSA-N 2 1 358.526 3.357 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000172575365 496346017 /nfs/dbraw/zinc/34/60/17/496346017.db2.gz CJKCFZAVABDUSQ-HXUWFJFHSA-N 2 1 368.525 3.449 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000172575365 496346019 /nfs/dbraw/zinc/34/60/19/496346019.db2.gz CJKCFZAVABDUSQ-HXUWFJFHSA-N 2 1 368.525 3.449 20 0 FGADMP Cc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)CC2)[nH+]c1 ZINC000187262889 496366131 /nfs/dbraw/zinc/36/61/31/496366131.db2.gz JIKLLKAPTSWVPK-UHFFFAOYSA-N 2 1 364.493 3.058 20 0 FGADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)cc2F)CC1 ZINC000178219187 496375215 /nfs/dbraw/zinc/37/52/15/496375215.db2.gz MQIXZEWTMUUVOY-OAHLLOKOSA-N 2 1 370.472 3.240 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157016000 496386305 /nfs/dbraw/zinc/38/63/05/496386305.db2.gz GEJAIPYAKWGOEP-AEFFLSMTSA-N 2 1 361.530 3.102 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000162746847 496407164 /nfs/dbraw/zinc/40/71/64/496407164.db2.gz GIHVYWUMLBBVSR-OAHLLOKOSA-N 2 1 365.319 3.146 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)NCc1ccccc1Cl ZINC000157116079 496409187 /nfs/dbraw/zinc/40/91/87/496409187.db2.gz DUQZNLLPEINWNJ-SFHVURJKSA-N 2 1 363.933 3.297 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162871230 496425206 /nfs/dbraw/zinc/42/52/06/496425206.db2.gz ZDYYCRPQQFEWFB-UWJYYQICSA-N 2 1 350.510 3.074 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162871230 496425210 /nfs/dbraw/zinc/42/52/10/496425210.db2.gz ZDYYCRPQQFEWFB-UWJYYQICSA-N 2 1 350.510 3.074 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223830 496432211 /nfs/dbraw/zinc/43/22/11/496432211.db2.gz JWRQXLKRUBQDHF-FPOVZHCZSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223830 496432216 /nfs/dbraw/zinc/43/22/16/496432216.db2.gz JWRQXLKRUBQDHF-FPOVZHCZSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223830 496432219 /nfs/dbraw/zinc/43/22/19/496432219.db2.gz JWRQXLKRUBQDHF-FPOVZHCZSA-N 2 1 355.526 3.227 20 0 FGADMP CC(C)[C@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(C)CC1 ZINC000153428049 496452030 /nfs/dbraw/zinc/45/20/30/496452030.db2.gz RBAZSWZEWFSKEQ-IBGZPJMESA-N 2 1 361.530 3.230 20 0 FGADMP C[NH+]1CCN(c2ncc(CN3CCC[C@H]3c3cccc(Cl)c3)cn2)CC1 ZINC000153435962 496454399 /nfs/dbraw/zinc/45/43/99/496454399.db2.gz IOEAPMXVSLFJPC-IBGZPJMESA-N 2 1 371.916 3.219 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000187474459 496457286 /nfs/dbraw/zinc/45/72/86/496457286.db2.gz RFRHOUCZLYPLLU-JBACZVJFSA-N 2 1 374.573 3.125 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000187474459 496457292 /nfs/dbraw/zinc/45/72/92/496457292.db2.gz RFRHOUCZLYPLLU-JBACZVJFSA-N 2 1 374.573 3.125 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000187474459 496457300 /nfs/dbraw/zinc/45/73/00/496457300.db2.gz RFRHOUCZLYPLLU-JBACZVJFSA-N 2 1 374.573 3.125 20 0 FGADMP CCN1CCC([N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000157410805 496471498 /nfs/dbraw/zinc/47/14/98/496471498.db2.gz KWVUDUGBSXKPRV-UHFFFAOYSA-N 2 1 355.482 3.126 20 0 FGADMP CCN1CCC([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000157410805 496471503 /nfs/dbraw/zinc/47/15/03/496471503.db2.gz KWVUDUGBSXKPRV-UHFFFAOYSA-N 2 1 355.482 3.126 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000181686505 496503193 /nfs/dbraw/zinc/50/31/93/496503193.db2.gz QMISEWJSFXNSJK-MRXNPFEDSA-N 2 1 365.477 3.401 20 0 FGADMP c1cc([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157606701 496514181 /nfs/dbraw/zinc/51/41/81/496514181.db2.gz PRDBDSPNYDBQTC-KDURUIRLSA-N 2 1 370.545 3.362 20 0 FGADMP c1cc([C@@H]2CCC[N@@H+](CCCCC[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157606701 496514187 /nfs/dbraw/zinc/51/41/87/496514187.db2.gz PRDBDSPNYDBQTC-KDURUIRLSA-N 2 1 370.545 3.362 20 0 FGADMP c1cc([C@@H]2CCC[N@H+](CCCCC[NH+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157606701 496514190 /nfs/dbraw/zinc/51/41/90/496514190.db2.gz PRDBDSPNYDBQTC-KDURUIRLSA-N 2 1 370.545 3.362 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730321 496518815 /nfs/dbraw/zinc/51/88/15/496518815.db2.gz KELIKHPMHKMVFT-DOMZBBRYSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730321 496518821 /nfs/dbraw/zinc/51/88/21/496518821.db2.gz KELIKHPMHKMVFT-DOMZBBRYSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730321 496518824 /nfs/dbraw/zinc/51/88/24/496518824.db2.gz KELIKHPMHKMVFT-DOMZBBRYSA-N 2 1 369.303 3.340 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175732801 496520218 /nfs/dbraw/zinc/52/02/18/496520218.db2.gz CKWVEEOBLHHPPQ-PMACEKPBSA-N 2 1 360.546 3.199 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCCO4)CC2)[nH+]c1 ZINC000163497344 496523631 /nfs/dbraw/zinc/52/36/31/496523631.db2.gz WIBQEHAHKKMDFD-INIZCTEOSA-N 2 1 353.466 3.481 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175753384 496529748 /nfs/dbraw/zinc/52/97/48/496529748.db2.gz GEDGMDWCJUFRQP-GOSISDBHSA-N 2 1 372.557 3.213 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000578048850 505849655 /nfs/dbraw/zinc/84/96/55/505849655.db2.gz SGQBPSYNCJGKOI-OAQYLSRUSA-N 2 1 364.493 3.118 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056075 496535962 /nfs/dbraw/zinc/53/59/62/496535962.db2.gz RARLHVRUCOGHCB-AEFFLSMTSA-N 2 1 363.521 3.130 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000178735693 496554815 /nfs/dbraw/zinc/55/48/15/496554815.db2.gz NQRYCCPGDSIRBX-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000178735693 496554823 /nfs/dbraw/zinc/55/48/23/496554823.db2.gz NQRYCCPGDSIRBX-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000178735693 496554827 /nfs/dbraw/zinc/55/48/27/496554827.db2.gz NQRYCCPGDSIRBX-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000157962311 496596708 /nfs/dbraw/zinc/59/67/08/496596708.db2.gz DSLCRAKKAWISNO-OIISXLGYSA-N 2 1 351.922 3.247 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C)C1 ZINC000164735886 496629997 /nfs/dbraw/zinc/62/99/97/496629997.db2.gz JYCQLFGMHHVUJO-KYJSFNMBSA-N 2 1 366.347 3.348 20 0 FGADMP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185060877 496641846 /nfs/dbraw/zinc/64/18/46/496641846.db2.gz JBFLBCNSIIQXQP-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000165002836 496643685 /nfs/dbraw/zinc/64/36/85/496643685.db2.gz XYLHDMKIRJEWNY-FCEWJHQRSA-N 2 1 351.560 3.368 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000165002836 496643688 /nfs/dbraw/zinc/64/36/88/496643688.db2.gz XYLHDMKIRJEWNY-FCEWJHQRSA-N 2 1 351.560 3.368 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCCS2 ZINC000187994171 496644132 /nfs/dbraw/zinc/64/41/32/496644132.db2.gz IEBRPLBJDMBGOI-APWZRJJASA-N 2 1 364.555 3.449 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000173411997 496681618 /nfs/dbraw/zinc/68/16/18/496681618.db2.gz LFTWXNQNACBLTM-FPOVZHCZSA-N 2 1 374.573 3.225 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000173422418 496686340 /nfs/dbraw/zinc/68/63/40/496686340.db2.gz DHZJORUGURJMMD-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000166690284 496690717 /nfs/dbraw/zinc/69/07/17/496690717.db2.gz YSAWDRCLXLOQGK-SJORKVTESA-N 2 1 361.555 3.200 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179186410 496705297 /nfs/dbraw/zinc/70/52/97/496705297.db2.gz GETFGFPMCCWDBW-SFTDATJTSA-N 2 1 370.541 3.138 20 0 FGADMP Fc1cccnc1N1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000168145853 496708474 /nfs/dbraw/zinc/70/84/74/496708474.db2.gz FGPXJHJRNVQLTH-FQEVSTJZSA-N 2 1 368.500 3.096 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCOc2cccc(Cl)c2)CC1 ZINC000191378160 496742796 /nfs/dbraw/zinc/74/27/96/496742796.db2.gz IMAASEWQOPLPNR-UHFFFAOYSA-N 2 1 353.938 3.067 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000194887648 496748608 /nfs/dbraw/zinc/74/86/08/496748608.db2.gz QZDBETNUWQOBJN-HKUYNNGSSA-N 2 1 363.550 3.027 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000194887676 496748736 /nfs/dbraw/zinc/74/87/36/496748736.db2.gz QZDBETNUWQOBJN-PKOBYXMFSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000247005705 496749392 /nfs/dbraw/zinc/74/93/92/496749392.db2.gz PVCBGWVGGGXNGO-QRVBRYPASA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000247005705 496749396 /nfs/dbraw/zinc/74/93/96/496749396.db2.gz PVCBGWVGGGXNGO-QRVBRYPASA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000247005705 496749399 /nfs/dbraw/zinc/74/93/99/496749399.db2.gz PVCBGWVGGGXNGO-QRVBRYPASA-N 2 1 364.578 3.013 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000273241822 496749624 /nfs/dbraw/zinc/74/96/24/496749624.db2.gz QIAOVNMWZWCOLE-HZPDHXFCSA-N 2 1 351.560 3.243 20 0 FGADMP c1cn(Cc2ccccc2)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000247008372 496750051 /nfs/dbraw/zinc/75/00/51/496750051.db2.gz XFMNDYQJCXXFMT-FPOVZHCZSA-N 2 1 350.510 3.380 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000273241824 496750406 /nfs/dbraw/zinc/75/04/06/496750406.db2.gz QIAOVNMWZWCOLE-JKSUJKDBSA-N 2 1 351.560 3.243 20 0 FGADMP CCN(C)c1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000191430394 496759536 /nfs/dbraw/zinc/75/95/36/496759536.db2.gz ZUGNKOYLJRIBTA-KDURUIRLSA-N 2 1 374.573 3.249 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247060701 496766430 /nfs/dbraw/zinc/76/64/30/496766430.db2.gz ZSLRZLUKUXEOEW-IEZWGBDMSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247060701 496766433 /nfs/dbraw/zinc/76/64/33/496766433.db2.gz ZSLRZLUKUXEOEW-IEZWGBDMSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247060701 496766434 /nfs/dbraw/zinc/76/64/34/496766434.db2.gz ZSLRZLUKUXEOEW-IEZWGBDMSA-N 2 1 364.917 3.028 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1cc(C)ccc1OC ZINC000191474032 496774728 /nfs/dbraw/zinc/77/47/28/496774728.db2.gz NDGVVEZYISOGKL-UHFFFAOYSA-N 2 1 358.486 3.113 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3cccc(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000574839466 505865071 /nfs/dbraw/zinc/86/50/71/505865071.db2.gz GLIPFHSFGFHALQ-KITAHSCOSA-N 2 1 354.469 3.298 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3cccc(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000574839466 505865073 /nfs/dbraw/zinc/86/50/73/505865073.db2.gz GLIPFHSFGFHALQ-KITAHSCOSA-N 2 1 354.469 3.298 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247084474 496775163 /nfs/dbraw/zinc/77/51/63/496775163.db2.gz INQNZZAAIKMCOM-RBUKOAKNSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000247084474 496775166 /nfs/dbraw/zinc/77/51/66/496775166.db2.gz INQNZZAAIKMCOM-RBUKOAKNSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000247084474 496775167 /nfs/dbraw/zinc/77/51/67/496775167.db2.gz INQNZZAAIKMCOM-RBUKOAKNSA-N 2 1 372.557 3.060 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000268772875 496780202 /nfs/dbraw/zinc/78/02/02/496780202.db2.gz AIEHZAPXDYQZBN-JXFKEZNVSA-N 2 1 355.482 3.030 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000268772875 496780206 /nfs/dbraw/zinc/78/02/06/496780206.db2.gz AIEHZAPXDYQZBN-JXFKEZNVSA-N 2 1 355.482 3.030 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768026 496780297 /nfs/dbraw/zinc/78/02/97/496780297.db2.gz OOGBJMCKHONRST-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768026 496780301 /nfs/dbraw/zinc/78/03/01/496780301.db2.gz OOGBJMCKHONRST-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782186 496784329 /nfs/dbraw/zinc/78/43/29/496784329.db2.gz YJJQVAGCSLMCII-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782186 496784330 /nfs/dbraw/zinc/78/43/30/496784330.db2.gz YJJQVAGCSLMCII-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP COc1ccc([C@@H]2C[C@@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503235 496787056 /nfs/dbraw/zinc/78/70/56/496787056.db2.gz BWMYKQZIFKNIFO-TZIWHRDSSA-N 2 1 359.558 3.289 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000268793857 496788078 /nfs/dbraw/zinc/78/80/78/496788078.db2.gz WBGLWUHVJYPQQT-XEZPLFJOSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000268793857 496788080 /nfs/dbraw/zinc/78/80/80/496788080.db2.gz WBGLWUHVJYPQQT-XEZPLFJOSA-N 2 1 351.288 3.489 20 0 FGADMP CCC[NH+](CCC)CCC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268799723 496789441 /nfs/dbraw/zinc/78/94/41/496789441.db2.gz AAFWLDPGPDTRIR-INIZCTEOSA-N 2 1 370.559 3.261 20 0 FGADMP COCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268800893 496789505 /nfs/dbraw/zinc/78/95/05/496789505.db2.gz ANBCPEGFHDGICX-DENIHFKCSA-N 2 1 359.558 3.130 20 0 FGADMP COCCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268800899 496790093 /nfs/dbraw/zinc/79/00/93/496790093.db2.gz ANBCPEGFHDGICX-SIKLNZKXSA-N 2 1 359.558 3.130 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)[C@H](C)C1 ZINC000247164976 496796328 /nfs/dbraw/zinc/79/63/28/496796328.db2.gz YALGRVYFCRVYEK-LSTHTHJFSA-N 2 1 365.949 3.033 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+]C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000268829742 496797833 /nfs/dbraw/zinc/79/78/33/496797833.db2.gz RWIHQHYLCCBQQR-OAQYLSRUSA-N 2 1 357.542 3.245 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268836254 496799605 /nfs/dbraw/zinc/79/96/05/496799605.db2.gz GWHVMQVGWIKAPE-MRXNPFEDSA-N 2 1 353.470 3.245 20 0 FGADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CC2 ZINC000268849849 496802517 /nfs/dbraw/zinc/80/25/17/496802517.db2.gz VZYAHUUQPHRZTE-QFIPXVFZSA-N 2 1 363.505 3.160 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268855041 496804127 /nfs/dbraw/zinc/80/41/27/496804127.db2.gz LFJRXCALAIYCQC-CYBMUJFWSA-N 2 1 372.481 3.208 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853296 496804295 /nfs/dbraw/zinc/80/42/95/496804295.db2.gz GIDHNKOHWDABMV-LSDHHAIUSA-N 2 1 374.497 3.454 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853296 496804299 /nfs/dbraw/zinc/80/42/99/496804299.db2.gz GIDHNKOHWDABMV-LSDHHAIUSA-N 2 1 374.497 3.454 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)CC1CCN(c2ccccn2)CC1 ZINC000247204656 496804671 /nfs/dbraw/zinc/80/46/71/496804671.db2.gz CDUUULSRJOBWGF-UYAOXDASSA-N 2 1 372.557 3.315 20 0 FGADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268865113 496807847 /nfs/dbraw/zinc/80/78/47/496807847.db2.gz ZWROQQQBAYMGAJ-VGOFRKELSA-N 2 1 363.505 3.097 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000247240640 496813215 /nfs/dbraw/zinc/81/32/15/496813215.db2.gz YXXZQEPYVSBECA-INMHGKMJSA-N 2 1 366.347 3.348 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000191568854 496816215 /nfs/dbraw/zinc/81/62/15/496816215.db2.gz QWTIZIAMRXEPLD-QGZVFWFLSA-N 2 1 364.509 3.391 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000191568854 496816218 /nfs/dbraw/zinc/81/62/18/496816218.db2.gz QWTIZIAMRXEPLD-QGZVFWFLSA-N 2 1 364.509 3.391 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247315670 496832969 /nfs/dbraw/zinc/83/29/69/496832969.db2.gz VTULSGVSZYKYRM-IHPCNDPISA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335769 496837492 /nfs/dbraw/zinc/83/74/92/496837492.db2.gz NELHAWVUPSXVPB-LVFSCSRESA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335769 496837498 /nfs/dbraw/zinc/83/74/98/496837498.db2.gz NELHAWVUPSXVPB-LVFSCSRESA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335769 496837508 /nfs/dbraw/zinc/83/75/08/496837508.db2.gz NELHAWVUPSXVPB-LVFSCSRESA-N 2 1 354.922 3.193 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000269042702 496856359 /nfs/dbraw/zinc/85/63/59/496856359.db2.gz UJHLQWGKRMLWDS-INIZCTEOSA-N 2 1 362.514 3.388 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C1 ZINC000578134852 505870639 /nfs/dbraw/zinc/87/06/39/505870639.db2.gz HPAPORODQRGCJY-RHSMWYFYSA-N 2 1 364.440 3.150 20 0 FGADMP C[C@@H]1CCCC[C@@H]1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247485179 496870317 /nfs/dbraw/zinc/87/03/17/496870317.db2.gz KMDSAJMBZJUZSX-NRSPTQNISA-N 2 1 357.542 3.135 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247489472 496871294 /nfs/dbraw/zinc/87/12/94/496871294.db2.gz VQVWHIODRBBFLI-MVCQKVDPSA-N 2 1 364.578 3.202 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247489472 496871302 /nfs/dbraw/zinc/87/13/02/496871302.db2.gz VQVWHIODRBBFLI-MVCQKVDPSA-N 2 1 364.578 3.202 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247489472 496871309 /nfs/dbraw/zinc/87/13/09/496871309.db2.gz VQVWHIODRBBFLI-MVCQKVDPSA-N 2 1 364.578 3.202 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000248062703 496950011 /nfs/dbraw/zinc/95/00/11/496950011.db2.gz YXICMSRAEDNDKC-OPYAIIAOSA-N 2 1 371.529 3.055 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985604 496953687 /nfs/dbraw/zinc/95/36/87/496953687.db2.gz IZMZACDIPOXSGK-FQEVSTJZSA-N 2 1 356.510 3.316 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC12CCOCC2 ZINC000580952693 505875876 /nfs/dbraw/zinc/87/58/76/505875876.db2.gz PVWCABREJQVZCE-NRFANRHFSA-N 2 1 366.505 3.453 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141981 496961967 /nfs/dbraw/zinc/96/19/67/496961967.db2.gz YRNZPOOZNMKPDG-BHDDXSALSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141981 496961972 /nfs/dbraw/zinc/96/19/72/496961972.db2.gz YRNZPOOZNMKPDG-BHDDXSALSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141981 496961976 /nfs/dbraw/zinc/96/19/76/496961976.db2.gz YRNZPOOZNMKPDG-BHDDXSALSA-N 2 1 363.505 3.213 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCSc3ccccc3F)CC2)CC1 ZINC000269690010 496989302 /nfs/dbraw/zinc/98/93/02/496989302.db2.gz VYSADXCQGOWVJT-UHFFFAOYSA-N 2 1 365.562 3.408 20 0 FGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248396918 496994346 /nfs/dbraw/zinc/99/43/46/496994346.db2.gz KUUZBQZJPCHVFG-GUDVDZBRSA-N 2 1 363.571 3.012 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000248403326 496998484 /nfs/dbraw/zinc/99/84/84/496998484.db2.gz OMNAKIGIJQXZPK-MLCQCVOFSA-N 2 1 372.553 3.320 20 0 FGADMP C[C@@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000192114084 496998998 /nfs/dbraw/zinc/99/89/98/496998998.db2.gz NFFZIDYNESCQCH-NWDGAFQWSA-N 2 1 358.313 3.057 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC000248447798 497014946 /nfs/dbraw/zinc/01/49/46/497014946.db2.gz NQPVUBGOHVCBTQ-VQIMIIECSA-N 2 1 370.493 3.121 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248451788 497016921 /nfs/dbraw/zinc/01/69/21/497016921.db2.gz JGIUAJALIGZXNM-JKSUJKDBSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248451788 497016925 /nfs/dbraw/zinc/01/69/25/497016925.db2.gz JGIUAJALIGZXNM-JKSUJKDBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459574 497018826 /nfs/dbraw/zinc/01/88/26/497018826.db2.gz NSRDZHTYZRZUHK-HZPDHXFCSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459574 497018832 /nfs/dbraw/zinc/01/88/32/497018832.db2.gz NSRDZHTYZRZUHK-HZPDHXFCSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459574 497018839 /nfs/dbraw/zinc/01/88/39/497018839.db2.gz NSRDZHTYZRZUHK-HZPDHXFCSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459574 497018846 /nfs/dbraw/zinc/01/88/46/497018846.db2.gz NSRDZHTYZRZUHK-HZPDHXFCSA-N 2 1 374.447 3.109 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248664931 497076243 /nfs/dbraw/zinc/07/62/43/497076243.db2.gz KUXDWOJAVBJZHD-RXVVDRJESA-N 2 1 360.542 3.281 20 0 FGADMP c1c(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432730 497097529 /nfs/dbraw/zinc/09/75/29/497097529.db2.gz WBOFHUZSWNXKFS-YSIASYRMSA-N 2 1 368.550 3.032 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393747 497099954 /nfs/dbraw/zinc/09/99/54/497099954.db2.gz ZFQFXDFJUXMACV-HNNXBMFYSA-N 2 1 367.563 3.146 20 0 FGADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200223 505885220 /nfs/dbraw/zinc/88/52/20/505885220.db2.gz LADQFUNPOAICBC-GHTZIAJQSA-N 2 1 368.481 3.258 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236660411 497128538 /nfs/dbraw/zinc/12/85/38/497128538.db2.gz JQIGDRZFQPEOOC-RTWAWAEBSA-N 2 1 351.494 3.276 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000248955636 497140362 /nfs/dbraw/zinc/14/03/62/497140362.db2.gz FUTGDMOFPUQDKP-OEWRPIJISA-N 2 1 365.521 3.292 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265704782 497164468 /nfs/dbraw/zinc/16/44/68/497164468.db2.gz AKLCGSKPTKZZNO-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000237019717 497180676 /nfs/dbraw/zinc/18/06/76/497180676.db2.gz WMNUGIDHBFTEEG-GUYCJALGSA-N 2 1 371.447 3.159 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887395 497191538 /nfs/dbraw/zinc/19/15/38/497191538.db2.gz ITEXHGAKQHNKQE-SLYNCCJLSA-N 2 1 354.494 3.229 20 0 FGADMP COc1ccc([C@H](C)[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000249379903 497196542 /nfs/dbraw/zinc/19/65/42/497196542.db2.gz ZOGSASRCHWOOPF-LAUBAEHRSA-N 2 1 369.509 3.107 20 0 FGADMP COc1ccc([C@H](C)[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000249379903 497196547 /nfs/dbraw/zinc/19/65/47/497196547.db2.gz ZOGSASRCHWOOPF-LAUBAEHRSA-N 2 1 369.509 3.107 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946145 497214339 /nfs/dbraw/zinc/21/43/39/497214339.db2.gz JQMGSCIQJIHHTF-GHTZIAJQSA-N 2 1 357.542 3.475 20 0 FGADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192798999 497217249 /nfs/dbraw/zinc/21/72/49/497217249.db2.gz DEWKABQTOTYXCV-NRFANRHFSA-N 2 1 358.574 3.003 20 0 FGADMP Cc1nn(C)c2ncc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc12 ZINC000278817010 497230607 /nfs/dbraw/zinc/23/06/07/497230607.db2.gz HDNMCBGEEQJOAK-UHFFFAOYSA-N 2 1 364.497 3.189 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)C[C@@H](C)O1 ZINC000237426809 497235772 /nfs/dbraw/zinc/23/57/72/497235772.db2.gz SFXDZPCRLJRZJW-HZPDHXFCSA-N 2 1 353.466 3.007 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000192922143 497247621 /nfs/dbraw/zinc/24/76/21/497247621.db2.gz PVNKFCPJUAGDJZ-GOSISDBHSA-N 2 1 370.493 3.324 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000249999303 497259449 /nfs/dbraw/zinc/25/94/49/497259449.db2.gz PGHBKWKTWZKLEP-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278907093 497262668 /nfs/dbraw/zinc/26/26/68/497262668.db2.gz PYRSWAYTWBXHGC-NRFANRHFSA-N 2 1 353.510 3.393 20 0 FGADMP COCCn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000266157115 497269427 /nfs/dbraw/zinc/26/94/27/497269427.db2.gz MJRHKVSEYJMBIU-UHFFFAOYSA-N 2 1 368.481 3.044 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000251566793 497278256 /nfs/dbraw/zinc/27/82/56/497278256.db2.gz HCBZXJPHRKZOSH-RBBKRZOGSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000251566793 497278257 /nfs/dbraw/zinc/27/82/57/497278257.db2.gz HCBZXJPHRKZOSH-RBBKRZOGSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933457 497297854 /nfs/dbraw/zinc/29/78/54/497297854.db2.gz MRXJVAJNMIQLLX-CHWSQXEVSA-N 2 1 358.395 3.443 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000252480813 497302635 /nfs/dbraw/zinc/30/26/35/497302635.db2.gz FTCWWLKEOYWXBC-VQTJNVASSA-N 2 1 360.542 3.358 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000252480813 497302639 /nfs/dbraw/zinc/30/26/39/497302639.db2.gz FTCWWLKEOYWXBC-VQTJNVASSA-N 2 1 360.542 3.358 20 0 FGADMP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237926812 497314941 /nfs/dbraw/zinc/31/49/41/497314941.db2.gz PJFXMQSYCUEBRX-IFMALSPDSA-N 2 1 365.521 3.147 20 0 FGADMP [NH3+][C@@H](CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237950516 497319310 /nfs/dbraw/zinc/31/93/10/497319310.db2.gz MSBBOIWGOFZJDD-SFTDATJTSA-N 2 1 351.494 3.247 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000569298090 505899557 /nfs/dbraw/zinc/89/95/57/505899557.db2.gz RAIMPKQHXMERSG-ZWKOTPCHSA-N 2 1 360.546 3.240 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)CC2 ZINC000574993369 505900199 /nfs/dbraw/zinc/90/01/99/505900199.db2.gz QRNQETSKWMZBLV-GOSISDBHSA-N 2 1 352.482 3.031 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000271426015 497345995 /nfs/dbraw/zinc/34/59/95/497345995.db2.gz AGUNTRRCXAJDAZ-HLAWJBBLSA-N 2 1 350.510 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000271426015 497346003 /nfs/dbraw/zinc/34/60/03/497346003.db2.gz AGUNTRRCXAJDAZ-HLAWJBBLSA-N 2 1 350.510 3.161 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444284 497351589 /nfs/dbraw/zinc/35/15/89/497351589.db2.gz CSYMODACVFMGMF-XUVXKRRUSA-N 2 1 356.510 3.400 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n[nH]1 ZINC000275847372 497447007 /nfs/dbraw/zinc/44/70/07/497447007.db2.gz HRFMKZNVQJFCEL-GHTZIAJQSA-N 2 1 367.541 3.330 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n[nH]1 ZINC000275847372 497447011 /nfs/dbraw/zinc/44/70/11/497447011.db2.gz HRFMKZNVQJFCEL-GHTZIAJQSA-N 2 1 367.541 3.330 20 0 FGADMP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000279470131 497447325 /nfs/dbraw/zinc/44/73/25/497447325.db2.gz JXGXXSATAFTLLF-KRWDZBQOSA-N 2 1 365.481 3.059 20 0 FGADMP C[C@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000279477540 497449633 /nfs/dbraw/zinc/44/96/33/497449633.db2.gz KLVSJUIZZJCACK-KRWDZBQOSA-N 2 1 365.481 3.059 20 0 FGADMP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000279477542 497449825 /nfs/dbraw/zinc/44/98/25/497449825.db2.gz KLVSJUIZZJCACK-QGZVFWFLSA-N 2 1 365.481 3.059 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261784989 497450743 /nfs/dbraw/zinc/45/07/43/497450743.db2.gz YGDVHHNEQAOGSK-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261784989 497450747 /nfs/dbraw/zinc/45/07/47/497450747.db2.gz YGDVHHNEQAOGSK-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(CC[C@H]1CC[NH2+]C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000261892563 497469628 /nfs/dbraw/zinc/46/96/28/497469628.db2.gz UFDMOXIWRBCOII-FQEVSTJZSA-N 2 1 369.553 3.423 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)[nH+]c1 ZINC000193759167 497470917 /nfs/dbraw/zinc/47/09/17/497470917.db2.gz VDEYHNGKIOZPDT-GOSISDBHSA-N 2 1 361.534 3.003 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[nH+]c1 ZINC000193759167 497470922 /nfs/dbraw/zinc/47/09/22/497470922.db2.gz VDEYHNGKIOZPDT-GOSISDBHSA-N 2 1 361.534 3.003 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)n[nH]1 ZINC000275967547 497471797 /nfs/dbraw/zinc/47/17/97/497471797.db2.gz WOOITTQRPOVMGW-LAUBAEHRSA-N 2 1 367.541 3.187 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)n[nH]1 ZINC000275967547 497471801 /nfs/dbraw/zinc/47/18/01/497471801.db2.gz WOOITTQRPOVMGW-LAUBAEHRSA-N 2 1 367.541 3.187 20 0 FGADMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000245681765 497499476 /nfs/dbraw/zinc/49/94/76/497499476.db2.gz JAPXEFKGTJDIBG-WTGUMLROSA-N 2 1 355.526 3.171 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCS2 ZINC000276200182 497518868 /nfs/dbraw/zinc/51/88/68/497518868.db2.gz YOQZBVIQYGISIY-GUDVDZBRSA-N 2 1 362.539 3.200 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262219360 497525682 /nfs/dbraw/zinc/52/56/82/497525682.db2.gz ZNKVJGPEDPEMLN-XMSQKQJNSA-N 2 1 365.521 3.247 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267369454 497534951 /nfs/dbraw/zinc/53/49/51/497534951.db2.gz SKROTCBEDOPHLR-NQIIRXRSSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@H+](C)Cc1ccccc1 ZINC000262330143 497541718 /nfs/dbraw/zinc/54/17/18/497541718.db2.gz RNYAOOIXZYXHAV-AWEZNQCLSA-N 2 1 358.511 3.069 20 0 FGADMP C[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@@H+](C)Cc1ccccc1 ZINC000262330143 497541723 /nfs/dbraw/zinc/54/17/23/497541723.db2.gz RNYAOOIXZYXHAV-AWEZNQCLSA-N 2 1 358.511 3.069 20 0 FGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1C ZINC000279861894 497567393 /nfs/dbraw/zinc/56/73/93/497567393.db2.gz JAMLPYJMCGXVKW-SLYNCCJLSA-N 2 1 358.526 3.261 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000569363218 505916910 /nfs/dbraw/zinc/91/69/10/505916910.db2.gz GXGWQGYBPZWHQP-PZJWPPBQSA-N 2 1 366.509 3.474 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000569363218 505916912 /nfs/dbraw/zinc/91/69/12/505916912.db2.gz GXGWQGYBPZWHQP-PZJWPPBQSA-N 2 1 366.509 3.474 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262772162 497617232 /nfs/dbraw/zinc/61/72/32/497617232.db2.gz JAZXHRYVFHNZKK-REWPJTCUSA-N 2 1 365.521 3.231 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1C ZINC000246109309 497625713 /nfs/dbraw/zinc/62/57/13/497625713.db2.gz HQZKAWSZWLCEEE-RVKKMQEKSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1C ZINC000246109309 497625716 /nfs/dbraw/zinc/62/57/16/497625716.db2.gz HQZKAWSZWLCEEE-RVKKMQEKSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000246166850 497644936 /nfs/dbraw/zinc/64/49/36/497644936.db2.gz FPBOYYHLSPHNNI-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000262943363 497662272 /nfs/dbraw/zinc/66/22/72/497662272.db2.gz USAOTGXEFJXCNB-KXXHFCIOSA-N 2 1 365.521 3.349 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246213817 497662974 /nfs/dbraw/zinc/66/29/74/497662974.db2.gz YFMKYAFYHFWUNH-KGLIPLIRSA-N 2 1 368.319 3.050 20 0 FGADMP [NH3+][C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000246238966 497670805 /nfs/dbraw/zinc/67/08/05/497670805.db2.gz DARDENMRTMXJHE-LQCXBHPOSA-N 2 1 363.505 3.388 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272730718 497715146 /nfs/dbraw/zinc/71/51/46/497715146.db2.gz ILBQXRNQKYHDJP-UGKGYDQZSA-N 2 1 366.505 3.429 20 0 FGADMP COc1cc(Cl)ccc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000280311492 497715450 /nfs/dbraw/zinc/71/54/50/497715450.db2.gz WXTIVEJJTZTDJN-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246410191 497724509 /nfs/dbraw/zinc/72/45/09/497724509.db2.gz FFRNQGNKPPUMRO-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246410191 497724511 /nfs/dbraw/zinc/72/45/11/497724511.db2.gz FFRNQGNKPPUMRO-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246410191 497724513 /nfs/dbraw/zinc/72/45/13/497724513.db2.gz FFRNQGNKPPUMRO-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246444644 497736268 /nfs/dbraw/zinc/73/62/68/497736268.db2.gz OUAQAIAZYQUKQE-TUNNFDKTSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000263229870 497737330 /nfs/dbraw/zinc/73/73/30/497737330.db2.gz NHUCOQAEPKTNLY-PUHATCMVSA-N 2 1 369.553 3.409 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472702 497746070 /nfs/dbraw/zinc/74/60/70/497746070.db2.gz GVCFRNLCZQRFRE-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246472702 497746072 /nfs/dbraw/zinc/74/60/72/497746072.db2.gz GVCFRNLCZQRFRE-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246472702 497746077 /nfs/dbraw/zinc/74/60/77/497746077.db2.gz GVCFRNLCZQRFRE-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246522115 497762628 /nfs/dbraw/zinc/76/26/28/497762628.db2.gz URPBMKPNDKOLID-ZFWWWQNUSA-N 2 1 368.319 3.158 20 0 FGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000268519621 497771801 /nfs/dbraw/zinc/77/18/01/497771801.db2.gz FKPLOFREZGGLKK-QGZVFWFLSA-N 2 1 362.514 3.421 20 0 FGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000268519621 497771806 /nfs/dbraw/zinc/77/18/06/497771806.db2.gz FKPLOFREZGGLKK-QGZVFWFLSA-N 2 1 362.514 3.421 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000246568700 497776305 /nfs/dbraw/zinc/77/63/05/497776305.db2.gz ZHWAWQLSNMQIHH-JBACZVJFSA-N 2 1 372.557 3.256 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C(=O)[O-])c1 ZINC000263507126 497793167 /nfs/dbraw/zinc/79/31/67/497793167.db2.gz XLCGMBDVIZSCIP-UHFFFAOYSA-N 2 1 373.541 3.013 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc(C(=O)[O-])c1 ZINC000263507126 497793171 /nfs/dbraw/zinc/79/31/71/497793171.db2.gz XLCGMBDVIZSCIP-UHFFFAOYSA-N 2 1 373.541 3.013 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCCC1 ZINC000246825976 497814125 /nfs/dbraw/zinc/81/41/25/497814125.db2.gz JYBYHTBUWHCISD-ZCNNSNEGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870258 497817772 /nfs/dbraw/zinc/81/77/72/497817772.db2.gz CNXIEQANYBSWOZ-DEICHXMPSA-N 2 1 366.347 3.346 20 0 FGADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000364185681 497828786 /nfs/dbraw/zinc/82/87/86/497828786.db2.gz UMDISSTXAZIFJG-QGZVFWFLSA-N 2 1 351.579 3.323 20 0 FGADMP COc1ccc2oc(C[NH2+]Cc3ccncc3OCCC[NH+](C)C)cc2c1 ZINC000288682681 497867853 /nfs/dbraw/zinc/86/78/53/497867853.db2.gz XIJPCOGDLFNZAH-UHFFFAOYSA-N 2 1 369.465 3.457 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310913 505958577 /nfs/dbraw/zinc/95/85/77/505958577.db2.gz TVDFOEGUAHPMTA-PMACEKPBSA-N 3 1 370.585 3.039 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000569543511 505959292 /nfs/dbraw/zinc/95/92/92/505959292.db2.gz URZFRNMOBMUPKX-FQEVSTJZSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000569543511 505959296 /nfs/dbraw/zinc/95/92/96/505959296.db2.gz URZFRNMOBMUPKX-FQEVSTJZSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000569543511 505959300 /nfs/dbraw/zinc/95/93/00/505959300.db2.gz URZFRNMOBMUPKX-FQEVSTJZSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000575351902 505966829 /nfs/dbraw/zinc/96/68/29/505966829.db2.gz JWAARCRRCJKAIS-OPYAIIAOSA-N 2 1 372.557 3.378 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000572451961 505972201 /nfs/dbraw/zinc/97/22/01/505972201.db2.gz PRENYXAHFOVMCX-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000572451961 505972204 /nfs/dbraw/zinc/97/22/04/505972204.db2.gz PRENYXAHFOVMCX-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000572451961 505972207 /nfs/dbraw/zinc/97/22/07/505972207.db2.gz PRENYXAHFOVMCX-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000285358772 498062703 /nfs/dbraw/zinc/06/27/03/498062703.db2.gz VOAAOCFEJOJSQH-GHTZIAJQSA-N 2 1 352.478 3.126 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000569596217 505972691 /nfs/dbraw/zinc/97/26/91/505972691.db2.gz ZVCMODVMNWWHHU-YLJYHZDGSA-N 2 1 372.484 3.381 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1Cl ZINC000285449612 498089234 /nfs/dbraw/zinc/08/92/34/498089234.db2.gz IXWPHSJNJJSTQC-XYPWUTKMSA-N 2 1 365.905 3.234 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000285449612 498089240 /nfs/dbraw/zinc/08/92/40/498089240.db2.gz IXWPHSJNJJSTQC-XYPWUTKMSA-N 2 1 365.905 3.234 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000285449612 498089242 /nfs/dbraw/zinc/08/92/42/498089242.db2.gz IXWPHSJNJJSTQC-XYPWUTKMSA-N 2 1 365.905 3.234 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C(C)C)nc3C)CC2)oc1C ZINC000281286957 498090095 /nfs/dbraw/zinc/09/00/95/498090095.db2.gz IJCYCDVSPQSLCU-UHFFFAOYSA-N 2 1 359.518 3.379 20 0 FGADMP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c3ccsc32)c1 ZINC000301443864 498112832 /nfs/dbraw/zinc/11/28/32/498112832.db2.gz YSWHEESOWQJXQZ-UHFFFAOYSA-N 2 1 354.479 3.200 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(C)=O)c(C)c3)CC2)CC1 ZINC000572496159 505983293 /nfs/dbraw/zinc/98/32/93/505983293.db2.gz DCSWMUCCFWDDFT-UHFFFAOYSA-N 2 1 371.525 3.332 20 0 FGADMP CCN(C(=O)Nc1ccn2ccnc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569653802 505985067 /nfs/dbraw/zinc/98/50/67/505985067.db2.gz TYZVSVFATHSEMZ-IBGZPJMESA-N 2 1 363.465 3.463 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000289475070 498160921 /nfs/dbraw/zinc/16/09/21/498160921.db2.gz HQBUQRDXDKXRIZ-FQEVSTJZSA-N 2 1 366.509 3.056 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834965 498164806 /nfs/dbraw/zinc/16/48/06/498164806.db2.gz AVGXVYDTCHUVNF-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834965 498164810 /nfs/dbraw/zinc/16/48/10/498164810.db2.gz AVGXVYDTCHUVNF-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834965 498164813 /nfs/dbraw/zinc/16/48/13/498164813.db2.gz AVGXVYDTCHUVNF-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP CC[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000575759291 505998040 /nfs/dbraw/zinc/99/80/40/505998040.db2.gz ONJPKIGMPHMZQM-OAHLLOKOSA-N 2 1 353.470 3.302 20 0 FGADMP CC[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000575759291 505998042 /nfs/dbraw/zinc/99/80/42/505998042.db2.gz ONJPKIGMPHMZQM-OAHLLOKOSA-N 2 1 353.470 3.302 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000581486993 505999194 /nfs/dbraw/zinc/99/91/94/505999194.db2.gz NLSHIPYFSPCCSZ-GHTZIAJQSA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000581486993 505999196 /nfs/dbraw/zinc/99/91/96/505999196.db2.gz NLSHIPYFSPCCSZ-GHTZIAJQSA-N 2 1 351.494 3.118 20 0 FGADMP CC(C)N1CCc2nc(CN3CCC(CC[NH+](C)C)CC3)sc2C1 ZINC000359963492 498232479 /nfs/dbraw/zinc/23/24/79/498232479.db2.gz ZHZKVZSFAFISKE-UHFFFAOYSA-N 3 1 350.576 3.073 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H](C)[C@H]3C[N@H+](C)CCO3)c2cc1OCC ZINC000301743707 498248353 /nfs/dbraw/zinc/24/83/53/498248353.db2.gz GDCXEKWZBQZGDU-JLTOFOAXSA-N 2 1 359.470 3.163 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)c2cc1OCC ZINC000301743707 498248355 /nfs/dbraw/zinc/24/83/55/498248355.db2.gz GDCXEKWZBQZGDU-JLTOFOAXSA-N 2 1 359.470 3.163 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005859 498251084 /nfs/dbraw/zinc/25/10/84/498251084.db2.gz UJVJKFJBEZLKAD-ZDUSSCGKSA-N 2 1 352.416 3.100 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950858 498251292 /nfs/dbraw/zinc/25/12/92/498251292.db2.gz DXTAJXFISBNJHV-SFTDATJTSA-N 2 1 368.525 3.388 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950858 498251288 /nfs/dbraw/zinc/25/12/88/498251288.db2.gz DXTAJXFISBNJHV-SFTDATJTSA-N 2 1 368.525 3.388 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000286028779 498272401 /nfs/dbraw/zinc/27/24/01/498272401.db2.gz JAOVTHJKGFQEEA-SSGKUCQKSA-N 2 1 372.553 3.054 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000365081760 498288793 /nfs/dbraw/zinc/28/87/93/498288793.db2.gz FALNQNLBUQPQAL-NEPJUHHUSA-N 2 1 367.280 3.430 20 0 FGADMP Cc1noc(CCC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293163751 498291119 /nfs/dbraw/zinc/29/11/19/498291119.db2.gz CNJMNLJIXSVXOG-UHFFFAOYSA-N 2 1 354.498 3.299 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(=O)[nH]n1 ZINC000286167717 498312494 /nfs/dbraw/zinc/31/24/94/498312494.db2.gz QFOLWXGCPJDEFT-INIZCTEOSA-N 2 1 354.498 3.385 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC000360891175 498319428 /nfs/dbraw/zinc/31/94/28/498319428.db2.gz WSBHBEBPCUNVJF-IRXDYDNUSA-N 2 1 361.534 3.057 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000365157284 498326420 /nfs/dbraw/zinc/32/64/20/498326420.db2.gz REUKCDUYBUOGHD-FXAWDEMLSA-N 2 1 374.554 3.008 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)C2 ZINC000360999103 498331024 /nfs/dbraw/zinc/33/10/24/498331024.db2.gz MSRCBYQLDXEKIM-LCKKVJLRSA-N 2 1 362.521 3.143 20 0 FGADMP Cc1ccccc1NC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032528 498365607 /nfs/dbraw/zinc/36/56/07/498365607.db2.gz LAMJPCHPXDKPEB-QGZVFWFLSA-N 2 1 352.482 3.346 20 0 FGADMP COc1ccc([C@@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC[NH+]2C)cc1 ZINC000365236264 498366421 /nfs/dbraw/zinc/36/64/21/498366421.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@@H+]2C)cc1 ZINC000365236264 498366425 /nfs/dbraw/zinc/36/64/25/498366425.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@H+]2C)cc1 ZINC000365236264 498366430 /nfs/dbraw/zinc/36/64/30/498366430.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCCN2C)cc1 ZINC000365236264 498366434 /nfs/dbraw/zinc/36/64/34/498366434.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCCN2C)cc1 ZINC000365236264 498366443 /nfs/dbraw/zinc/36/64/43/498366443.db2.gz SLUWCCOPPPQCTL-XWPRQMSVSA-N 2 1 357.542 3.293 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(O)c1Cl ZINC000293473839 498396930 /nfs/dbraw/zinc/39/69/30/498396930.db2.gz FDDDTQBXEKXADY-MSOLQXFVSA-N 2 1 360.885 3.018 20 0 FGADMP O=C(c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1)N1CCCCC1 ZINC000361479801 498397572 /nfs/dbraw/zinc/39/75/72/498397572.db2.gz XHJMVQNOEGYQIF-BHIFYINESA-N 2 1 367.537 3.229 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000581610499 506027634 /nfs/dbraw/zinc/02/76/34/506027634.db2.gz QSKIFJGJNCGMTH-FQEVSTJZSA-N 2 1 357.542 3.223 20 0 FGADMP CSCc1cnc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000293540777 498407809 /nfs/dbraw/zinc/40/78/09/498407809.db2.gz KEKKOPFGJAQQJA-UHFFFAOYSA-N 2 1 351.541 3.236 20 0 FGADMP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423757 498444167 /nfs/dbraw/zinc/44/41/67/498444167.db2.gz AEDSJPMHMROUJH-PZJWPPBQSA-N 2 1 373.460 3.024 20 0 FGADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423757 498444171 /nfs/dbraw/zinc/44/41/71/498444171.db2.gz AEDSJPMHMROUJH-PZJWPPBQSA-N 2 1 373.460 3.024 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000290183235 498455135 /nfs/dbraw/zinc/45/51/35/498455135.db2.gz FLRDRBLMHXJJAP-IAGOWNOFSA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000290183235 498455137 /nfs/dbraw/zinc/45/51/37/498455137.db2.gz FLRDRBLMHXJJAP-IAGOWNOFSA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290183235 498455140 /nfs/dbraw/zinc/45/51/40/498455140.db2.gz FLRDRBLMHXJJAP-IAGOWNOFSA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290183235 498455143 /nfs/dbraw/zinc/45/51/43/498455143.db2.gz FLRDRBLMHXJJAP-IAGOWNOFSA-N 2 1 350.503 3.277 20 0 FGADMP Nc1nccc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000578856270 506037836 /nfs/dbraw/zinc/03/78/36/506037836.db2.gz NHPHEVDXODYHDW-HXUWFJFHSA-N 2 1 365.525 3.255 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294672 498499197 /nfs/dbraw/zinc/49/91/97/498499197.db2.gz YETYAZXASSMTRW-AZUAARDMSA-N 2 1 355.530 3.294 20 0 FGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290338287 498515056 /nfs/dbraw/zinc/51/50/56/498515056.db2.gz FGDLSXQIHAYEOP-SFHVURJKSA-N 2 1 362.514 3.266 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000297785271 498566128 /nfs/dbraw/zinc/56/61/28/498566128.db2.gz WLGKRQBSLRXXRD-LEWJYISDSA-N 2 1 353.514 3.171 20 0 FGADMP C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282592210 498573780 /nfs/dbraw/zinc/57/37/80/498573780.db2.gz LUQOXBJIMKWFBO-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP COc1nccnc1CNC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294109971 498592835 /nfs/dbraw/zinc/59/28/35/498592835.db2.gz CVDHKNUABOLTNN-SUMWQHHRSA-N 2 1 364.852 3.060 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3c[nH]c4nccnc34)cc2)CC1 ZINC000290574596 498605309 /nfs/dbraw/zinc/60/53/09/498605309.db2.gz YVZDPHTVZNDXAT-UHFFFAOYSA-N 2 1 364.497 3.348 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972831 498626061 /nfs/dbraw/zinc/62/60/61/498626061.db2.gz XLIIHCPDGHSCBC-PKOBYXMFSA-N 2 1 369.513 3.130 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCC[C@H](C4CC4)C3)CC2)CC1 ZINC000576052244 506065287 /nfs/dbraw/zinc/06/52/87/506065287.db2.gz DGCRZFDMIJXCKQ-VQTJNVASSA-N 2 1 361.574 3.268 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000303010535 498639782 /nfs/dbraw/zinc/63/97/82/498639782.db2.gz JXOANVZJNWLMTN-IBGZPJMESA-N 2 1 374.525 3.296 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000303010535 498639786 /nfs/dbraw/zinc/63/97/86/498639786.db2.gz JXOANVZJNWLMTN-IBGZPJMESA-N 2 1 374.525 3.296 20 0 FGADMP C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000365844036 498667361 /nfs/dbraw/zinc/66/73/61/498667361.db2.gz SVTMUJFQRZKKGE-SFHVURJKSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282897497 498701276 /nfs/dbraw/zinc/70/12/76/498701276.db2.gz YLZAJIYPFNFEGF-IBGZPJMESA-N 2 1 353.514 3.192 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000282897497 498701279 /nfs/dbraw/zinc/70/12/79/498701279.db2.gz YLZAJIYPFNFEGF-IBGZPJMESA-N 2 1 353.514 3.192 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000365967032 498716273 /nfs/dbraw/zinc/71/62/73/498716273.db2.gz GASHZTWOVBCMDM-PXNSSMCTSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366001223 498725754 /nfs/dbraw/zinc/72/57/54/498725754.db2.gz NUFVMKNMCIRPCO-BEFAXECRSA-N 2 1 357.523 3.233 20 0 FGADMP FC(F)(F)COCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311213770 498750716 /nfs/dbraw/zinc/75/07/16/498750716.db2.gz LYDUMKGPHJPSOR-MSOLQXFVSA-N 2 1 356.432 3.409 20 0 FGADMP FC(F)(F)COCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311213770 498750720 /nfs/dbraw/zinc/75/07/20/498750720.db2.gz LYDUMKGPHJPSOR-MSOLQXFVSA-N 2 1 356.432 3.409 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682411 498761519 /nfs/dbraw/zinc/76/15/19/498761519.db2.gz LFWIKXNYFQLQHS-VLCRHTCISA-N 2 1 365.521 3.493 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000313115930 498766550 /nfs/dbraw/zinc/76/65/50/498766550.db2.gz ZSEVLTPXKUEDOQ-FDFHNCONSA-N 2 1 364.489 3.473 20 0 FGADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2cccc(C[NH+](C)C)c2)[nH+]1 ZINC000363349588 498774882 /nfs/dbraw/zinc/77/48/82/498774882.db2.gz QRVOPBAOTASPFJ-IBGZPJMESA-N 2 1 352.482 3.168 20 0 FGADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000287572560 498800849 /nfs/dbraw/zinc/80/08/49/498800849.db2.gz QRKUUIYIUDHOEY-WIYYLYMNSA-N 2 1 362.477 3.423 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000291164781 498824325 /nfs/dbraw/zinc/82/43/25/498824325.db2.gz MOFHNYCJGPVMQV-HXUWFJFHSA-N 2 1 367.541 3.013 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cc2ccccc2o1 ZINC000573001514 506096704 /nfs/dbraw/zinc/09/67/04/506096704.db2.gz SAOUOFIZOCJDNJ-YECZKDOJSA-N 2 1 355.482 3.058 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cc2ccccc2o1 ZINC000573001514 506096707 /nfs/dbraw/zinc/09/67/07/506096707.db2.gz SAOUOFIZOCJDNJ-YECZKDOJSA-N 2 1 355.482 3.058 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)Oc1ccccc1F ZINC000366212151 498825591 /nfs/dbraw/zinc/82/55/91/498825591.db2.gz UKNHSOXZBXVJIJ-YWTNHNAXSA-N 2 1 350.478 3.072 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)c3ccc(C)cc3)CC2)CC1 ZINC000581952734 506098818 /nfs/dbraw/zinc/09/88/18/506098818.db2.gz SQEHTXOUGZVCDV-LJQANCHMSA-N 2 1 371.569 3.411 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952738 506098873 /nfs/dbraw/zinc/09/88/73/506098873.db2.gz STPZIVNQDGTAAU-LPHOPBHVSA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952738 506098875 /nfs/dbraw/zinc/09/88/75/506098875.db2.gz STPZIVNQDGTAAU-LPHOPBHVSA-N 2 1 363.933 3.133 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000570145949 506101385 /nfs/dbraw/zinc/10/13/85/506101385.db2.gz VDVYRIQFNDFZHQ-IERDGZPVSA-N 2 1 364.493 3.464 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ncn1 ZINC000332991913 498860049 /nfs/dbraw/zinc/86/00/49/498860049.db2.gz ABWTWSXDYPNQRM-UGNRZPKXSA-N 2 1 373.545 3.013 20 0 FGADMP COCc1ccc(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)cc1 ZINC000328641722 498886435 /nfs/dbraw/zinc/88/64/35/498886435.db2.gz QTKLJWWTBUBQDB-PZJWPPBQSA-N 2 1 356.514 3.081 20 0 FGADMP C[C@@H](NCc1ncc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295040308 498889465 /nfs/dbraw/zinc/88/94/65/498889465.db2.gz ORURJRCVTKOSTA-GDBMZVCRSA-N 2 1 364.415 3.496 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000363583911 498889898 /nfs/dbraw/zinc/88/98/98/498889898.db2.gz ZCFKOKMXIPROAX-LJQANCHMSA-N 2 1 361.534 3.022 20 0 FGADMP C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129306 498908419 /nfs/dbraw/zinc/90/84/19/498908419.db2.gz JJSOIEUPVDYPQE-HOTGVXAUSA-N 2 1 354.498 3.121 20 0 FGADMP C[C@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129314 498909427 /nfs/dbraw/zinc/90/94/27/498909427.db2.gz JJSOIEUPVDYPQE-JKSUJKDBSA-N 2 1 354.498 3.121 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547427 498974186 /nfs/dbraw/zinc/97/41/86/498974186.db2.gz ZVWUUXNVJOPXBH-ZWKOTPCHSA-N 2 1 362.518 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547427 498974196 /nfs/dbraw/zinc/97/41/96/498974196.db2.gz ZVWUUXNVJOPXBH-ZWKOTPCHSA-N 2 1 362.518 3.303 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c2ccccc2S1 ZINC000579231525 506125581 /nfs/dbraw/zinc/12/55/81/506125581.db2.gz JEMXWHIKLGANLM-WMZOPIPTSA-N 2 1 373.566 3.225 20 0 FGADMP CC(C)(O)C[N@H+]1CCc2c(cccc2NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000363867462 499032134 /nfs/dbraw/zinc/03/21/34/499032134.db2.gz YOVUNYANGWJDRQ-UHFFFAOYSA-N 2 1 359.558 3.490 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC000366795888 499076881 /nfs/dbraw/zinc/07/68/81/499076881.db2.gz PGRNUUFIVNUIER-VQTJNVASSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC000366795888 499076886 /nfs/dbraw/zinc/07/68/86/499076886.db2.gz PGRNUUFIVNUIER-VQTJNVASSA-N 2 1 355.457 3.063 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000284353187 499093843 /nfs/dbraw/zinc/09/38/43/499093843.db2.gz YTCIDWGUUGEBCM-KWJLTHHISA-N 2 1 362.558 3.177 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000295750716 499094517 /nfs/dbraw/zinc/09/45/17/499094517.db2.gz PLWTZVVSUPGOPJ-UHFFFAOYSA-N 2 1 366.465 3.447 20 0 FGADMP CC(C)[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279937 506131965 /nfs/dbraw/zinc/13/19/65/506131965.db2.gz RQMGUYKYAYWZAA-SESVDKBCSA-N 2 1 357.542 3.006 20 0 FGADMP CCc1ccccc1CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372704094 499163491 /nfs/dbraw/zinc/16/34/91/499163491.db2.gz LBJSXIVKAOLOMH-UHFFFAOYSA-N 2 1 371.569 3.104 20 0 FGADMP C[C@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370026821 499168327 /nfs/dbraw/zinc/16/83/27/499168327.db2.gz MAUWWZPWZYCVPH-PXNSSMCTSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)n1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nn1 ZINC000367300163 499176008 /nfs/dbraw/zinc/17/60/08/499176008.db2.gz LUAOKTLTXQAZQA-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850835 499184181 /nfs/dbraw/zinc/18/41/81/499184181.db2.gz DDXGMDDRRSGZCW-DBXWQHBBSA-N 2 1 358.530 3.250 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850835 499184184 /nfs/dbraw/zinc/18/41/84/499184184.db2.gz DDXGMDDRRSGZCW-DBXWQHBBSA-N 2 1 358.530 3.250 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850835 499184187 /nfs/dbraw/zinc/18/41/87/499184187.db2.gz DDXGMDDRRSGZCW-DBXWQHBBSA-N 2 1 358.530 3.250 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867399 499186875 /nfs/dbraw/zinc/18/68/75/499186875.db2.gz COXFWRLDPMTLJU-SBHAEUEKSA-N 2 1 351.579 3.120 20 0 FGADMP O=C(NCc1nccn1CCCc1ccccc1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370241268 499200988 /nfs/dbraw/zinc/20/09/88/499200988.db2.gz CFKVDMJUDNRWEO-WOJBJXKFSA-N 2 1 366.509 3.007 20 0 FGADMP C[C@@H](CCNC(=O)N1CCCC12CC[NH+](C)CC2)[N@@H+](C)Cc1ccccc1 ZINC000367467498 499202600 /nfs/dbraw/zinc/20/26/00/499202600.db2.gz PTFUJLSAJBUGMR-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP CCC[C@H]1C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370262825 499203296 /nfs/dbraw/zinc/20/32/96/499203296.db2.gz YRJLTQPXVSXJOO-AZUAARDMSA-N 2 1 364.578 3.013 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370663882 499241381 /nfs/dbraw/zinc/24/13/81/499241381.db2.gz ZFYFCLFXQMJYMI-QFIPXVFZSA-N 3 1 371.569 3.468 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370698716 499245414 /nfs/dbraw/zinc/24/54/14/499245414.db2.gz JZOHPKNOMFLNKG-CRAIPNDOSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370698716 499245416 /nfs/dbraw/zinc/24/54/16/499245416.db2.gz JZOHPKNOMFLNKG-CRAIPNDOSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705831 499246445 /nfs/dbraw/zinc/24/64/45/499246445.db2.gz JOFWWFBXPGPUGM-AUSIDOKSSA-N 2 1 364.537 3.206 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)CC2)[nH+]1 ZINC000370766117 499252538 /nfs/dbraw/zinc/25/25/38/499252538.db2.gz JVCBLQHWGNXHLZ-JXFKEZNVSA-N 2 1 352.482 3.129 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367995221 499253046 /nfs/dbraw/zinc/25/30/46/499253046.db2.gz YDTRPUACEGBEEW-SAKMYQHLSA-N 2 1 362.489 3.301 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367995221 499253047 /nfs/dbraw/zinc/25/30/47/499253047.db2.gz YDTRPUACEGBEEW-SAKMYQHLSA-N 2 1 362.489 3.301 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000368349033 499287612 /nfs/dbraw/zinc/28/76/12/499287612.db2.gz PZODLMZIFXMBEI-VBKZILBWSA-N 2 1 366.440 3.067 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(Cl)s3)CC2)CC1 ZINC000371096005 499288161 /nfs/dbraw/zinc/28/81/61/499288161.db2.gz YSHJXZVMEFIOQE-UHFFFAOYSA-N 2 1 369.962 3.328 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C1CC[NH+](C2CCOCC2)CC1 ZINC000368366970 499289449 /nfs/dbraw/zinc/28/94/49/499289449.db2.gz KFKHTUPYYHNHLU-UHFFFAOYSA-N 2 1 374.525 3.407 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000371330895 499311082 /nfs/dbraw/zinc/31/10/82/499311082.db2.gz DGJFHUDIFVUDTC-INIZCTEOSA-N 2 1 350.576 3.041 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000371330895 499311084 /nfs/dbraw/zinc/31/10/84/499311084.db2.gz DGJFHUDIFVUDTC-INIZCTEOSA-N 2 1 350.576 3.041 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000371329799 499311291 /nfs/dbraw/zinc/31/12/91/499311291.db2.gz NVUYIDQUZONUSP-GHTZIAJQSA-N 2 1 367.493 3.167 20 0 FGADMP Cc1ccc(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000369397997 499399635 /nfs/dbraw/zinc/39/96/35/499399635.db2.gz KXZIPICTQXZFOA-NRFANRHFSA-N 2 1 359.558 3.173 20 0 FGADMP CCn1nc(CNC[C@H]2CCC[N@H+](Cc3cccnc3)C2)c2ccccc21 ZINC000372107165 499399850 /nfs/dbraw/zinc/39/98/50/499399850.db2.gz DLYQWZFBFCLWBM-LJQANCHMSA-N 2 1 363.509 3.453 20 0 FGADMP CCn1nc(CNC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c2ccccc21 ZINC000372107165 499399851 /nfs/dbraw/zinc/39/98/51/499399851.db2.gz DLYQWZFBFCLWBM-LJQANCHMSA-N 2 1 363.509 3.453 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000369484200 499407742 /nfs/dbraw/zinc/40/77/42/499407742.db2.gz LVHJRRBENZNCSI-MRXNPFEDSA-N 2 1 360.527 3.003 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000369484200 499407744 /nfs/dbraw/zinc/40/77/44/499407744.db2.gz LVHJRRBENZNCSI-MRXNPFEDSA-N 2 1 360.527 3.003 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000369746934 499440355 /nfs/dbraw/zinc/44/03/55/499440355.db2.gz WCZYYSSMGFZJLR-GOSISDBHSA-N 2 1 361.534 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000369746934 499440356 /nfs/dbraw/zinc/44/03/56/499440356.db2.gz WCZYYSSMGFZJLR-GOSISDBHSA-N 2 1 361.534 3.068 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccoc1Cl ZINC000373016851 499447521 /nfs/dbraw/zinc/44/75/21/499447521.db2.gz YNQCFVKPZUNIFH-UHFFFAOYSA-N 2 1 367.921 3.201 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2C[NH+](C)C)cc1F ZINC000373029337 499448090 /nfs/dbraw/zinc/44/80/90/499448090.db2.gz NBTTVKRGRHUCDI-UHFFFAOYSA-N 2 1 366.440 3.311 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448434 499470346 /nfs/dbraw/zinc/47/03/46/499470346.db2.gz LEUAFKXRJNTWNL-IHPCNDPISA-N 2 1 368.500 3.300 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000378199609 499489825 /nfs/dbraw/zinc/48/98/25/499489825.db2.gz ASEHEUHKRRIZML-GOSISDBHSA-N 2 1 371.447 3.304 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2/C=C/c2cccs2)CC1 ZINC000375179485 499492708 /nfs/dbraw/zinc/49/27/08/499492708.db2.gz XONFRRXSWOJTDC-DVBCCOPCSA-N 2 1 361.555 3.215 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2/C=C/c2cccs2)CC1 ZINC000375179485 499492709 /nfs/dbraw/zinc/49/27/09/499492709.db2.gz XONFRRXSWOJTDC-DVBCCOPCSA-N 2 1 361.555 3.215 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355355 499506339 /nfs/dbraw/zinc/50/63/39/499506339.db2.gz KDIOKAJJBGZBOU-QGZVFWFLSA-N 2 1 360.473 3.389 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000378613272 499537730 /nfs/dbraw/zinc/53/77/30/499537730.db2.gz XJGBPZSCHZVBCH-KRWDZBQOSA-N 2 1 366.509 3.398 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643773 499542323 /nfs/dbraw/zinc/54/23/23/499542323.db2.gz GBULNRXBMDNLFF-NRSPTQNISA-N 2 1 354.494 3.069 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643773 499542324 /nfs/dbraw/zinc/54/23/24/499542324.db2.gz GBULNRXBMDNLFF-NRSPTQNISA-N 2 1 354.494 3.069 20 0 FGADMP Cn1cccc1C(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000388807725 499551458 /nfs/dbraw/zinc/55/14/58/499551458.db2.gz PXXYRVJQUFZAAJ-UHFFFAOYSA-N 2 1 351.494 3.196 20 0 FGADMP Cn1cccc1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000388807725 499551460 /nfs/dbraw/zinc/55/14/60/499551460.db2.gz PXXYRVJQUFZAAJ-UHFFFAOYSA-N 2 1 351.494 3.196 20 0 FGADMP CN1CC[C@@H](C[N@@H+](C)CCc2nc3ccccc3n2C)[C@@H]1c1cccnc1 ZINC000375778967 499555025 /nfs/dbraw/zinc/55/50/25/499555025.db2.gz KOVLWDYOJQIXFJ-AVRDEDQJSA-N 2 1 363.509 3.136 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000390886802 499556380 /nfs/dbraw/zinc/55/63/80/499556380.db2.gz WUUHVSYKVIZWLR-FPOVZHCZSA-N 2 1 372.509 3.047 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000390886802 499556382 /nfs/dbraw/zinc/55/63/82/499556382.db2.gz WUUHVSYKVIZWLR-FPOVZHCZSA-N 2 1 372.509 3.047 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCOC[C@@H]2CCOC2)CC1 ZINC000375855607 499562631 /nfs/dbraw/zinc/56/26/31/499562631.db2.gz BCUPICKFLGFLBG-HWELCPFYSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000398076365 499566145 /nfs/dbraw/zinc/56/61/45/499566145.db2.gz QSXUHKGIOVVICX-VURPSTOHSA-N 2 1 357.542 3.039 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000375906659 499567468 /nfs/dbraw/zinc/56/74/68/499567468.db2.gz WEIYEYGDLNNVNN-GOSISDBHSA-N 2 1 366.347 3.049 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000375906659 499567469 /nfs/dbraw/zinc/56/74/69/499567469.db2.gz WEIYEYGDLNNVNN-GOSISDBHSA-N 2 1 366.347 3.049 20 0 FGADMP Cc1ccc(N2CCC[C@@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)[nH+]c1 ZINC000376085170 499581577 /nfs/dbraw/zinc/58/15/77/499581577.db2.gz VRPHLHZMEIHVCZ-MRXNPFEDSA-N 2 1 358.530 3.032 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000410352032 499656972 /nfs/dbraw/zinc/65/69/72/499656972.db2.gz HDNPFSZDXSLQDO-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377168042 499667590 /nfs/dbraw/zinc/66/75/90/499667590.db2.gz HXOQEXYVQSFQDI-QZTJIDSGSA-N 2 1 374.529 3.156 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1cccs1 ZINC000579354134 506154449 /nfs/dbraw/zinc/15/44/49/506154449.db2.gz QTNYWYXVIULZFK-DLBZAZTESA-N 2 1 358.507 3.377 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1cccs1 ZINC000579354134 506154453 /nfs/dbraw/zinc/15/44/53/506154453.db2.gz QTNYWYXVIULZFK-DLBZAZTESA-N 2 1 358.507 3.377 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000377617293 499711134 /nfs/dbraw/zinc/71/11/34/499711134.db2.gz AJNNIDHAXVMRSC-YLJYHZDGSA-N 2 1 356.466 3.192 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000377632572 499713580 /nfs/dbraw/zinc/71/35/80/499713580.db2.gz SZCRDIZZKMSTOA-QGZVFWFLSA-N 2 1 371.447 3.045 20 0 FGADMP COc1ccc2oc(C[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)cc2c1 ZINC000377672574 499718075 /nfs/dbraw/zinc/71/80/75/499718075.db2.gz KXITYLLLXHPXKE-SFHVURJKSA-N 2 1 357.498 3.043 20 0 FGADMP COc1ccc2oc(C[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)cc2c1 ZINC000377672574 499718076 /nfs/dbraw/zinc/71/80/76/499718076.db2.gz KXITYLLLXHPXKE-SFHVURJKSA-N 2 1 357.498 3.043 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N2CCC[N@H+](CC(C)(C)O)CC2)cc1 ZINC000377671794 499718127 /nfs/dbraw/zinc/71/81/27/499718127.db2.gz KOIVBKIHTRZEML-QGZVFWFLSA-N 2 1 356.514 3.020 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1 ZINC000377671794 499718128 /nfs/dbraw/zinc/71/81/28/499718128.db2.gz KOIVBKIHTRZEML-QGZVFWFLSA-N 2 1 356.514 3.020 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377701485 499722132 /nfs/dbraw/zinc/72/21/32/499722132.db2.gz SZYOUVMHDQRYLB-SJORKVTESA-N 2 1 352.482 3.265 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377701485 499722133 /nfs/dbraw/zinc/72/21/33/499722133.db2.gz SZYOUVMHDQRYLB-SJORKVTESA-N 2 1 352.482 3.265 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000377757842 499729287 /nfs/dbraw/zinc/72/92/87/499729287.db2.gz GFFXPUKUASDQKP-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000377757842 499729288 /nfs/dbraw/zinc/72/92/88/499729288.db2.gz GFFXPUKUASDQKP-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000377757842 499729289 /nfs/dbraw/zinc/72/92/89/499729289.db2.gz GFFXPUKUASDQKP-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515486 499750132 /nfs/dbraw/zinc/75/01/32/499750132.db2.gz HYEVZSZJASJAFT-RZQQEMMASA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515486 499750133 /nfs/dbraw/zinc/75/01/33/499750133.db2.gz HYEVZSZJASJAFT-RZQQEMMASA-N 2 1 359.489 3.174 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000582208194 506158420 /nfs/dbraw/zinc/15/84/20/506158420.db2.gz LACNJFFSJQAPLO-MNLRITNHSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189755 499767217 /nfs/dbraw/zinc/76/72/17/499767217.db2.gz RHKSWWOBDGIMEG-ZWKOTPCHSA-N 2 1 356.514 3.382 20 0 FGADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656195 499773624 /nfs/dbraw/zinc/77/36/24/499773624.db2.gz PUQYSNUAMWGCHX-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP O[C@@H]([C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798833 499791958 /nfs/dbraw/zinc/79/19/58/499791958.db2.gz JQANEXUZYYQDHC-MSOLQXFVSA-N 2 1 356.432 3.418 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nn(CC)c1C ZINC000414527846 499803480 /nfs/dbraw/zinc/80/34/80/499803480.db2.gz NIJUZHAPPFVKHV-IFMALSPDSA-N 2 1 370.541 3.147 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1c(C)nn(CC)c1C ZINC000414527846 499803481 /nfs/dbraw/zinc/80/34/81/499803481.db2.gz NIJUZHAPPFVKHV-IFMALSPDSA-N 2 1 370.541 3.147 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3(CCOCC3)[C@@H]2c2ccccc2)CC1 ZINC000412013356 499812876 /nfs/dbraw/zinc/81/28/76/499812876.db2.gz NVQRMPDLQGTLPY-QFIPXVFZSA-N 2 1 371.569 3.256 20 0 FGADMP [NH3+]C1(c2noc([C@@]34CCC[C@@H]3C[N@@H+](Cc3ccccc3)C4)n2)CCCC1 ZINC000414629199 499815429 /nfs/dbraw/zinc/81/54/29/499815429.db2.gz QBWMZPRRUINRQE-YLJYHZDGSA-N 2 1 352.482 3.351 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679878 499820017 /nfs/dbraw/zinc/82/00/17/499820017.db2.gz SHCUFWYZGSRQDW-PXNSSMCTSA-N 2 1 357.542 3.318 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2/C=C\c2ccccc2)C1 ZINC000414715277 499822207 /nfs/dbraw/zinc/82/22/07/499822207.db2.gz WINLPDHVKFMZFG-QFRKBEELSA-N 2 1 355.526 3.142 20 0 FGADMP CC[N@H+](Cc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000414718869 499822455 /nfs/dbraw/zinc/82/24/55/499822455.db2.gz SVEPAHVMTFPZMU-MRXNPFEDSA-N 2 1 353.304 3.348 20 0 FGADMP CC[N@@H+](Cc1cc(Br)cc2c1OCC2)[C@@H]1CCC[NH2+]CC1 ZINC000414718869 499822456 /nfs/dbraw/zinc/82/24/56/499822456.db2.gz SVEPAHVMTFPZMU-MRXNPFEDSA-N 2 1 353.304 3.348 20 0 FGADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784257 499830713 /nfs/dbraw/zinc/83/07/13/499830713.db2.gz RAVSTQVAOUFKPT-HZPDHXFCSA-N 2 1 350.890 3.323 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000414791107 499831519 /nfs/dbraw/zinc/83/15/19/499831519.db2.gz QHOLPJTUWXEASE-ZBFHGGJFSA-N 2 1 360.832 3.270 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414804628 499832976 /nfs/dbraw/zinc/83/29/76/499832976.db2.gz NSRJSPQWVXQXOX-UHFFFAOYSA-N 2 1 350.466 3.375 20 0 FGADMP COc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414809020 499833431 /nfs/dbraw/zinc/83/34/31/499833431.db2.gz TUMGWPCNMOSACN-BXUZGUMPSA-N 2 1 357.292 3.073 20 0 FGADMP COc1cc(Br)c(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414809022 499833433 /nfs/dbraw/zinc/83/34/33/499833433.db2.gz TUMGWPCNMOSACN-FZMZJTMJSA-N 2 1 357.292 3.073 20 0 FGADMP [NH3+]C[C@@H]([NH2+]Cc1cnc2ccc(Br)cn12)C1CCCCC1 ZINC000414833563 499835484 /nfs/dbraw/zinc/83/54/84/499835484.db2.gz GAFNFDMJYBZJSX-OAHLLOKOSA-N 2 1 351.292 3.094 20 0 FGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842278 499836725 /nfs/dbraw/zinc/83/67/25/499836725.db2.gz OFHBPYIPMFHNFX-TZMCWYRMSA-N 2 1 361.408 3.265 20 0 FGADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C/C=C/c2ccccc2OC)cc1 ZINC000414884337 499841255 /nfs/dbraw/zinc/84/12/55/499841255.db2.gz NRTZNWLRHDRSEP-LFZUEEPGSA-N 2 1 352.478 3.452 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000414898050 499842915 /nfs/dbraw/zinc/84/29/15/499842915.db2.gz FSWRCWOLKCDAPW-MAUKXSAKSA-N 2 1 355.486 3.256 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000414919494 499844690 /nfs/dbraw/zinc/84/46/90/499844690.db2.gz XDYLYCGWNZGUEK-HNNXBMFYSA-N 2 1 365.428 3.159 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414951607 499848487 /nfs/dbraw/zinc/84/84/87/499848487.db2.gz HRFHBHDPVHGDIY-YVEFUNNKSA-N 2 1 363.303 3.031 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+](C2CC2)C1 ZINC000412359805 499848644 /nfs/dbraw/zinc/84/86/44/499848644.db2.gz CVFXZLWLUDQNKJ-SFHVURJKSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000412382243 499850417 /nfs/dbraw/zinc/85/04/17/499850417.db2.gz CGXWKQBWQPHVSF-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382243 499850418 /nfs/dbraw/zinc/85/04/18/499850418.db2.gz CGXWKQBWQPHVSF-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382243 499850420 /nfs/dbraw/zinc/85/04/20/499850420.db2.gz CGXWKQBWQPHVSF-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP COc1cc(C[NH2+][C@H](CN)C2CCCC2)ccc1OCc1ccncc1 ZINC000415043604 499857575 /nfs/dbraw/zinc/85/75/75/499857575.db2.gz ARQBNUSTXBQZDK-LJQANCHMSA-N 2 1 355.482 3.276 20 0 FGADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OCc1ccncc1 ZINC000415043604 499857577 /nfs/dbraw/zinc/85/75/77/499857577.db2.gz ARQBNUSTXBQZDK-LJQANCHMSA-N 2 1 355.482 3.276 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@@H](C[NH3+])C3CCCC3)cnc12 ZINC000415063234 499859970 /nfs/dbraw/zinc/85/99/70/499859970.db2.gz HIDJNZICTCRNOP-HNNXBMFYSA-N 2 1 351.292 3.012 20 0 FGADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415103888 499864041 /nfs/dbraw/zinc/86/40/41/499864041.db2.gz KJMRJEZDTDIIDY-RZUBCFFCSA-N 2 1 352.478 3.200 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000415120663 499866134 /nfs/dbraw/zinc/86/61/34/499866134.db2.gz JAHDTTDRGKTEMG-OKZBNKHCSA-N 2 1 366.571 3.247 20 0 FGADMP [NH3+]CC1(O)CC[NH+](Cc2nc(-c3cc(Cl)ccc3Cl)cs2)CC1 ZINC000415145990 499870115 /nfs/dbraw/zinc/87/01/15/499870115.db2.gz XYIFEHYSLGITEN-UHFFFAOYSA-N 2 1 372.321 3.403 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887349 499924782 /nfs/dbraw/zinc/92/47/82/499924782.db2.gz XAOMXMQTEURLSJ-KRWDZBQOSA-N 2 1 364.493 3.071 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887349 499924784 /nfs/dbraw/zinc/92/47/84/499924784.db2.gz XAOMXMQTEURLSJ-KRWDZBQOSA-N 2 1 364.493 3.071 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000415918246 499928266 /nfs/dbraw/zinc/92/82/66/499928266.db2.gz KOVUZGPQFHRBMD-FQEVSTJZSA-N 2 1 366.509 3.092 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000415927586 499929422 /nfs/dbraw/zinc/92/94/22/499929422.db2.gz DDICJOWTAYVFFH-UHFFFAOYSA-N 2 1 366.509 3.366 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415935993 499930416 /nfs/dbraw/zinc/93/04/16/499930416.db2.gz UTIPISIIULLJFF-OXQOHEQNSA-N 2 1 352.482 3.048 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415942218 499931229 /nfs/dbraw/zinc/93/12/29/499931229.db2.gz IRMNUNWPLVADFA-UZLBHIALSA-N 2 1 352.482 3.191 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000415955031 499932967 /nfs/dbraw/zinc/93/29/67/499932967.db2.gz JAVDBXQARJBVAH-UHFFFAOYSA-N 2 1 356.445 3.024 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000415955031 499932968 /nfs/dbraw/zinc/93/29/68/499932968.db2.gz JAVDBXQARJBVAH-UHFFFAOYSA-N 2 1 356.445 3.024 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979488 499936789 /nfs/dbraw/zinc/93/67/89/499936789.db2.gz QXKOBBAIBJYQPS-HXUWFJFHSA-N 2 1 367.497 3.059 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417033039 499953066 /nfs/dbraw/zinc/95/30/66/499953066.db2.gz FKZDTUDTXWZWNK-LJQANCHMSA-N 2 1 360.546 3.059 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000582243218 506167518 /nfs/dbraw/zinc/16/75/18/506167518.db2.gz FQFAELRTBUXHKM-QGZVFWFLSA-N 2 1 371.550 3.152 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416235073 499989546 /nfs/dbraw/zinc/98/95/46/499989546.db2.gz RIJKPQMPZSTNDN-UHFFFAOYSA-N 2 1 369.509 3.008 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416235073 499989551 /nfs/dbraw/zinc/98/95/51/499989551.db2.gz RIJKPQMPZSTNDN-UHFFFAOYSA-N 2 1 369.509 3.008 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416235073 499989556 /nfs/dbraw/zinc/98/95/56/499989556.db2.gz RIJKPQMPZSTNDN-UHFFFAOYSA-N 2 1 369.509 3.008 20 0 FGADMP CC(C)CCC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000429047288 499995296 /nfs/dbraw/zinc/99/52/96/499995296.db2.gz PKBHFQFOHSEXOW-UHFFFAOYSA-N 2 1 359.558 3.383 20 0 FGADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416254861 499996609 /nfs/dbraw/zinc/99/66/09/499996609.db2.gz VZIQVQSHLNRFIS-UHFFFAOYSA-N 2 1 371.550 3.087 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582250011 506169391 /nfs/dbraw/zinc/16/93/91/506169391.db2.gz GGHKTGSOFGABDJ-LVCYWYKZSA-N 2 1 357.542 3.268 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624264 500006271 /nfs/dbraw/zinc/00/62/71/500006271.db2.gz JHTGGKIOHBIURA-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+](C)C1(CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000416302582 500009628 /nfs/dbraw/zinc/00/96/28/500009628.db2.gz OXVXAHWFIYNWTR-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417225812 500011208 /nfs/dbraw/zinc/01/12/08/500011208.db2.gz STSSIPSLKVEDEP-LJQANCHMSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417256442 500020104 /nfs/dbraw/zinc/02/01/04/500020104.db2.gz SDSOELNZQCFGQQ-DMUMMCEESA-N 2 1 360.546 3.132 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311221 500036409 /nfs/dbraw/zinc/03/64/09/500036409.db2.gz LNUVASHHJRMHBV-WQZMEWCLSA-N 2 1 356.535 3.467 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311221 500036413 /nfs/dbraw/zinc/03/64/13/500036413.db2.gz LNUVASHHJRMHBV-WQZMEWCLSA-N 2 1 356.535 3.467 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000417399397 500061496 /nfs/dbraw/zinc/06/14/96/500061496.db2.gz ZMZFDIBFPWYAQZ-VNTMZGSJSA-N 2 1 363.496 3.359 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425367208 500086538 /nfs/dbraw/zinc/08/65/38/500086538.db2.gz BNSFBDCYBGDCAS-FQEVSTJZSA-N 2 1 352.482 3.357 20 0 FGADMP COC(=O)[C@H](CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414313 500098214 /nfs/dbraw/zinc/09/82/14/500098214.db2.gz FTICISHXRUZRTM-UYAOXDASSA-N 2 1 367.493 3.471 20 0 FGADMP COC(=O)[C@H](CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414313 500098218 /nfs/dbraw/zinc/09/82/18/500098218.db2.gz FTICISHXRUZRTM-UYAOXDASSA-N 2 1 367.493 3.471 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413959256 500108336 /nfs/dbraw/zinc/10/83/36/500108336.db2.gz SHVUFIIGLQDNEV-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000413959256 500108339 /nfs/dbraw/zinc/10/83/39/500108339.db2.gz SHVUFIIGLQDNEV-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692789 500124799 /nfs/dbraw/zinc/12/47/99/500124799.db2.gz WLCDRRMYVCCBPN-GOTSBHOMSA-N 2 1 365.521 3.464 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692789 500124804 /nfs/dbraw/zinc/12/48/04/500124804.db2.gz WLCDRRMYVCCBPN-GOTSBHOMSA-N 2 1 365.521 3.464 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698914 500126034 /nfs/dbraw/zinc/12/60/34/500126034.db2.gz OJMROYATHLNMKE-VXKWHMMOSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429698914 500126038 /nfs/dbraw/zinc/12/60/38/500126038.db2.gz OJMROYATHLNMKE-VXKWHMMOSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429698914 500126042 /nfs/dbraw/zinc/12/60/42/500126042.db2.gz OJMROYATHLNMKE-VXKWHMMOSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698916 500126370 /nfs/dbraw/zinc/12/63/70/500126370.db2.gz OJMROYATHLNMKE-YADHBBJMSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429698916 500126372 /nfs/dbraw/zinc/12/63/72/500126372.db2.gz OJMROYATHLNMKE-YADHBBJMSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429698916 500126376 /nfs/dbraw/zinc/12/63/76/500126376.db2.gz OJMROYATHLNMKE-YADHBBJMSA-N 2 1 359.558 3.084 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1Cl ZINC000416861947 500140445 /nfs/dbraw/zinc/14/04/45/500140445.db2.gz XOBJZPWWNHZKKT-IBGZPJMESA-N 2 1 374.916 3.113 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417675619 500146086 /nfs/dbraw/zinc/14/60/86/500146086.db2.gz CDTOVFIJIQTUEU-SOAGJPPSSA-N 2 1 372.557 3.029 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830972 500161131 /nfs/dbraw/zinc/16/11/31/500161131.db2.gz CEKCZQKPKNWRHZ-PWRODBHTSA-N 2 1 364.505 3.499 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842368 500162686 /nfs/dbraw/zinc/16/26/86/500162686.db2.gz KVBNPGIQIBOOAE-NJDAHSKKSA-N 2 1 362.489 3.253 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416965251 500168179 /nfs/dbraw/zinc/16/81/79/500168179.db2.gz DGACNRDXFTWVFG-KRWDZBQOSA-N 2 1 360.546 3.045 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416970120 500170197 /nfs/dbraw/zinc/17/01/97/500170197.db2.gz MTONODFEDALZRC-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416987031 500176284 /nfs/dbraw/zinc/17/62/84/500176284.db2.gz JRPUFOIULDVKAY-OTWHNJEPSA-N 2 1 374.573 3.481 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@](C)(C[NH3+])C3)cc2)C1 ZINC000416992892 500178236 /nfs/dbraw/zinc/17/82/36/500178236.db2.gz PMWHFPLEOWHRKS-KGVIQGDOSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417828969 500179670 /nfs/dbraw/zinc/17/96/70/500179670.db2.gz QVXNVHONTSTBEM-DUXKGJEZSA-N 2 1 372.557 3.104 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417837486 500181208 /nfs/dbraw/zinc/18/12/08/500181208.db2.gz MKWAUYMQIVSMSR-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463571 506181072 /nfs/dbraw/zinc/18/10/72/506181072.db2.gz ZXKCJLAYUOQHHF-AZUAARDMSA-N 2 1 368.949 3.175 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000417852948 500184619 /nfs/dbraw/zinc/18/46/19/500184619.db2.gz HSGWBLAMMUUCRP-LESCRADOSA-N 2 1 355.486 3.058 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000417868808 500188341 /nfs/dbraw/zinc/18/83/41/500188341.db2.gz DBLJXIYOLNQZIK-NQIIRXRSSA-N 2 1 374.573 3.435 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000417887195 500192313 /nfs/dbraw/zinc/19/23/13/500192313.db2.gz WWNWTAHIBZFBBF-YLJYHZDGSA-N 2 1 360.546 3.248 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000417887147 500192607 /nfs/dbraw/zinc/19/26/07/500192607.db2.gz WRGGXEHGVIIEEP-SFTDATJTSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417918584 500197773 /nfs/dbraw/zinc/19/77/73/500197773.db2.gz FOOQEFHSUVJQSG-PMXSJFBMSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH+]([C@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154799 500201218 /nfs/dbraw/zinc/20/12/18/500201218.db2.gz YCRPIHRRUVUOQY-RYRKJORJSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+]([C@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154799 500201219 /nfs/dbraw/zinc/20/12/19/500201219.db2.gz YCRPIHRRUVUOQY-RYRKJORJSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@H+]([C@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154799 500201220 /nfs/dbraw/zinc/20/12/20/500201220.db2.gz YCRPIHRRUVUOQY-RYRKJORJSA-N 2 1 362.587 3.072 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940716 500201662 /nfs/dbraw/zinc/20/16/62/500201662.db2.gz LRTSNGFYKRPLDM-GSPCLOLRSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940716 500201664 /nfs/dbraw/zinc/20/16/64/500201664.db2.gz LRTSNGFYKRPLDM-GSPCLOLRSA-N 2 1 350.506 3.263 20 0 FGADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987413 500209751 /nfs/dbraw/zinc/20/97/51/500209751.db2.gz HSXTZTHAXPCDOG-HZPDHXFCSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987413 500209752 /nfs/dbraw/zinc/20/97/52/500209752.db2.gz HSXTZTHAXPCDOG-HZPDHXFCSA-N 2 1 370.900 3.041 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417988162 500209905 /nfs/dbraw/zinc/20/99/05/500209905.db2.gz RSYKHIGWVMBLIM-NQIIRXRSSA-N 2 1 368.525 3.286 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000418035357 500217900 /nfs/dbraw/zinc/21/79/00/500217900.db2.gz AIWOALXENFQUEU-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+](CCCCOc1ccccc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982142 500221142 /nfs/dbraw/zinc/22/11/42/500221142.db2.gz VCWSOYBELVUPFU-HSZRJFAPSA-N 2 1 368.521 3.414 20 0 FGADMP C[N@H+](CCCCOc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982142 500221143 /nfs/dbraw/zinc/22/11/43/500221143.db2.gz VCWSOYBELVUPFU-HSZRJFAPSA-N 2 1 368.521 3.414 20 0 FGADMP C[N@@H+](CCCCOc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982142 500221145 /nfs/dbraw/zinc/22/11/45/500221145.db2.gz VCWSOYBELVUPFU-HSZRJFAPSA-N 2 1 368.521 3.414 20 0 FGADMP C[NH+](CCCCOc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425982142 500221149 /nfs/dbraw/zinc/22/11/49/500221149.db2.gz VCWSOYBELVUPFU-HSZRJFAPSA-N 2 1 368.521 3.414 20 0 FGADMP C[NH+](CCCCOc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425982142 500221151 /nfs/dbraw/zinc/22/11/51/500221151.db2.gz VCWSOYBELVUPFU-HSZRJFAPSA-N 2 1 368.521 3.414 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC3C[C@@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422224335 500237020 /nfs/dbraw/zinc/23/70/20/500237020.db2.gz DZEDIGVXSCOLOV-ROUUACIJSA-N 2 1 364.578 3.013 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418153812 500238147 /nfs/dbraw/zinc/23/81/47/500238147.db2.gz JGQHCTYEAZPXEG-ZCNNSNEGSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174863 500242995 /nfs/dbraw/zinc/24/29/95/500242995.db2.gz FHIUSKUVSNDGET-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193365 500246784 /nfs/dbraw/zinc/24/67/84/500246784.db2.gz ZLXPFGAQKXAYRJ-FHLIZLRMSA-N 2 1 366.937 3.150 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418192322 500246872 /nfs/dbraw/zinc/24/68/72/500246872.db2.gz YKJIOCBNUKERQJ-JCGIZDLHSA-N 2 1 366.937 3.020 20 0 FGADMP Cc1cc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cc(N2CCCC2)[nH+]1 ZINC000418193996 500247455 /nfs/dbraw/zinc/24/74/55/500247455.db2.gz DCANVTSDTYVUOU-MRXNPFEDSA-N 2 1 367.497 3.009 20 0 FGADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227613 500252945 /nfs/dbraw/zinc/25/29/45/500252945.db2.gz AAACMSDDLFTBHC-TZIWHRDSSA-N 2 1 372.557 3.105 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000430557795 500254162 /nfs/dbraw/zinc/25/41/62/500254162.db2.gz XECBWTBLCCEMPL-SIKLNZKXSA-N 2 1 371.569 3.225 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000430557795 500254164 /nfs/dbraw/zinc/25/41/64/500254164.db2.gz XECBWTBLCCEMPL-SIKLNZKXSA-N 2 1 371.569 3.225 20 0 FGADMP Cc1cc(-c2noc([C@H](C)[NH+]3CCC(OCCC[NH3+])CC3)n2)ccc1F ZINC000430564390 500255444 /nfs/dbraw/zinc/25/54/44/500255444.db2.gz ZSBYIDBSYIVPMD-AWEZNQCLSA-N 2 1 362.449 3.075 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000426305050 500258693 /nfs/dbraw/zinc/25/86/93/500258693.db2.gz BEWHVSSSDAMYOH-UGKGYDQZSA-N 2 1 370.468 3.261 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430601408 500261085 /nfs/dbraw/zinc/26/10/85/500261085.db2.gz TZWUSUISPVSBRL-MDKPJZGXSA-N 2 1 371.550 3.403 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418323239 500262506 /nfs/dbraw/zinc/26/25/06/500262506.db2.gz FRSMLLWTXPHTFO-LJQANCHMSA-N 2 1 357.502 3.046 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C(C)C ZINC000582319210 506185772 /nfs/dbraw/zinc/18/57/72/506185772.db2.gz JREHDZFXAJIVEK-UYAOXDASSA-N 2 1 360.546 3.067 20 0 FGADMP CCCN(C(=O)NCC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418343891 500265158 /nfs/dbraw/zinc/26/51/58/500265158.db2.gz RKKFDYPMJTXRBP-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccccc1-n1nccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000430731056 500276629 /nfs/dbraw/zinc/27/66/29/500276629.db2.gz UPCCGJPXPDRUEC-UHFFFAOYSA-N 2 1 354.498 3.189 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418456962 500279073 /nfs/dbraw/zinc/27/90/73/500279073.db2.gz DEQYNNLALYGQHD-PWRODBHTSA-N 2 1 372.557 3.200 20 0 FGADMP O[C@@]1(C[NH2+]CCSCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000430753607 500279736 /nfs/dbraw/zinc/27/97/36/500279736.db2.gz AAULWPLAMYWTNB-OAQYLSRUSA-N 2 1 356.535 3.146 20 0 FGADMP O[C@@]1(C[NH2+]CCSCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000430753607 500279738 /nfs/dbraw/zinc/27/97/38/500279738.db2.gz AAULWPLAMYWTNB-OAQYLSRUSA-N 2 1 356.535 3.146 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)cc1 ZINC000422619443 500282085 /nfs/dbraw/zinc/28/20/85/500282085.db2.gz NHOUHLVCPYUZMJ-MRXNPFEDSA-N 2 1 354.926 3.150 20 0 FGADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422720412 500289887 /nfs/dbraw/zinc/28/98/87/500289887.db2.gz ZKSHFBICUSPPRT-DNVJHFABSA-N 2 1 371.569 3.309 20 0 FGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422720933 500290217 /nfs/dbraw/zinc/29/02/17/500290217.db2.gz UFZCABQTIHDNFG-BHDDXSALSA-N 2 1 359.558 3.418 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745463 500293412 /nfs/dbraw/zinc/29/34/12/500293412.db2.gz VEMVSQWKBXMQCF-GMAHTHKFSA-N 3 1 365.521 3.484 20 0 FGADMP CC[N@H+](C)Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745463 500293414 /nfs/dbraw/zinc/29/34/14/500293414.db2.gz VEMVSQWKBXMQCF-GMAHTHKFSA-N 2 1 365.521 3.484 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745463 500293416 /nfs/dbraw/zinc/29/34/16/500293416.db2.gz VEMVSQWKBXMQCF-GMAHTHKFSA-N 2 1 365.521 3.484 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418602540 500296032 /nfs/dbraw/zinc/29/60/32/500296032.db2.gz VUOBBTZYDYXNML-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1)CC1CC1 ZINC000418615955 500297041 /nfs/dbraw/zinc/29/70/41/500297041.db2.gz HPUMAAJDFSLCNZ-FQEVSTJZSA-N 2 1 364.578 3.048 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418640642 500299099 /nfs/dbraw/zinc/29/90/99/500299099.db2.gz RBYHFKQSQQZVET-OAQYLSRUSA-N 2 1 372.557 3.027 20 0 FGADMP CCCN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000422802387 500299907 /nfs/dbraw/zinc/29/99/07/500299907.db2.gz HLBJLRXLNLGEMK-ZWKOTPCHSA-N 2 1 358.530 3.094 20 0 FGADMP CC[NH+](CC)[C@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831568 500303533 /nfs/dbraw/zinc/30/35/33/500303533.db2.gz JZCXYFCKVAWJNF-UWJYYQICSA-N 2 1 354.542 3.452 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840471 500303796 /nfs/dbraw/zinc/30/37/96/500303796.db2.gz SYHGLNMDXBSXHA-WBVHZDCISA-N 3 1 358.555 3.473 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840471 500303799 /nfs/dbraw/zinc/30/37/99/500303799.db2.gz SYHGLNMDXBSXHA-WBVHZDCISA-N 3 1 358.555 3.473 20 0 FGADMP Fc1cccc(Cl)c1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000422842023 500304689 /nfs/dbraw/zinc/30/46/89/500304689.db2.gz DZRBWIUOUYVEOY-DPXCBNATSA-N 2 1 351.897 3.489 20 0 FGADMP C[N@@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000418671036 500305132 /nfs/dbraw/zinc/30/51/32/500305132.db2.gz LEJGSCGJDYMSAH-RTWAWAEBSA-N 2 1 366.509 3.165 20 0 FGADMP C[N@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000418671036 500305133 /nfs/dbraw/zinc/30/51/33/500305133.db2.gz LEJGSCGJDYMSAH-RTWAWAEBSA-N 2 1 366.509 3.165 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721217 500312262 /nfs/dbraw/zinc/31/22/62/500312262.db2.gz MAGFFIMCTNXGAZ-VQTJNVASSA-N 2 1 364.578 3.048 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422900383 500313198 /nfs/dbraw/zinc/31/31/98/500313198.db2.gz QGKUNDKBHGMTIX-SZFUDVHCSA-N 2 1 365.477 3.139 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903405 500313614 /nfs/dbraw/zinc/31/36/14/500313614.db2.gz OMRMMGSABLHUPM-TWHAJKEOSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903405 500313618 /nfs/dbraw/zinc/31/36/18/500313618.db2.gz OMRMMGSABLHUPM-TWHAJKEOSA-N 3 1 371.569 3.308 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422904700 500313952 /nfs/dbraw/zinc/31/39/52/500313952.db2.gz XYAFVGQQOPQCJP-FSPWUOQZSA-N 2 1 366.383 3.180 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000422906244 500314365 /nfs/dbraw/zinc/31/43/65/500314365.db2.gz UURMHZKFQYDNSN-WMLDXEAASA-N 2 1 352.906 3.127 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@H](C)c3ccc(C[NH3+])nc3C)cc2)CC1 ZINC000422922121 500316990 /nfs/dbraw/zinc/31/69/90/500316990.db2.gz PPTAQBGZEKJJQX-QGZVFWFLSA-N 2 1 367.541 3.159 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947424 500321889 /nfs/dbraw/zinc/32/18/89/500321889.db2.gz PZUVNBVDPJFRNI-HLSZOSTASA-N 3 1 371.569 3.306 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947424 500321894 /nfs/dbraw/zinc/32/18/94/500321894.db2.gz PZUVNBVDPJFRNI-HLSZOSTASA-N 2 1 371.569 3.306 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000431019823 500324174 /nfs/dbraw/zinc/32/41/74/500324174.db2.gz SQWSZKZXZVXKEK-BXWFABGCSA-N 2 1 354.498 3.384 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431068667 500330946 /nfs/dbraw/zinc/33/09/46/500330946.db2.gz IUHNPXHPBVZKCD-GOSISDBHSA-N 2 1 351.922 3.371 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](CC)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431068667 500330949 /nfs/dbraw/zinc/33/09/49/500330949.db2.gz IUHNPXHPBVZKCD-GOSISDBHSA-N 2 1 351.922 3.371 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC3 ZINC000423049066 500335290 /nfs/dbraw/zinc/33/52/90/500335290.db2.gz XJHJBTSYYCGIRM-CASVQKDBSA-N 2 1 353.510 3.080 20 0 FGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051241 500335707 /nfs/dbraw/zinc/33/57/07/500335707.db2.gz MSYGQTWXISXGHZ-ZANVPECISA-N 2 1 362.109 3.429 20 0 FGADMP O=C1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1c1ccc(Cl)cc1Cl ZINC000423072558 500338637 /nfs/dbraw/zinc/33/86/37/500338637.db2.gz PSPPYLQJFDJXTQ-DXBFTMOHSA-N 2 1 368.308 3.361 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423087751 500340629 /nfs/dbraw/zinc/34/06/29/500340629.db2.gz QGJBDAWMBAODSX-YXYCDRMUSA-N 2 1 359.480 3.302 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099295 500341773 /nfs/dbraw/zinc/34/17/73/500341773.db2.gz FIHLAUOHAQKFMI-HSALFYBXSA-N 2 1 365.949 3.080 20 0 FGADMP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103152 500342821 /nfs/dbraw/zinc/34/28/21/500342821.db2.gz KSPSRXKVHLSBRA-STQMWFEESA-N 2 1 373.360 3.289 20 0 FGADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127657 500345666 /nfs/dbraw/zinc/34/56/66/500345666.db2.gz CGTQQNWQFLFDLL-KSEOMHKRSA-N 3 1 371.569 3.035 20 0 FGADMP [NH3+]CC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000423132635 500346561 /nfs/dbraw/zinc/34/65/61/500346561.db2.gz JPAYLUTUTVDUPC-NJEKYYFSSA-N 3 1 371.569 3.022 20 0 FGADMP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423169132 500350586 /nfs/dbraw/zinc/35/05/86/500350586.db2.gz ZGBLMFAGFIERFF-LESCRADOSA-N 2 1 369.347 3.029 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1OC ZINC000423198872 500353979 /nfs/dbraw/zinc/35/39/79/500353979.db2.gz IJTXNWPAOCPCKE-MRXNPFEDSA-N 2 1 350.503 3.423 20 0 FGADMP Cc1ccc([C@H]([NH2+]CC[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423222307 500356020 /nfs/dbraw/zinc/35/60/20/500356020.db2.gz AOMXWARQCQBZMQ-OXJNMPFZSA-N 2 1 360.523 3.123 20 0 FGADMP C[C@@H]1[C@H](C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000419374933 500358957 /nfs/dbraw/zinc/35/89/57/500358957.db2.gz QOWFLKQEJDWEPV-ZACQAIPSSA-N 2 1 361.555 3.150 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H](C)[C@@H]1C ZINC000419378550 500359525 /nfs/dbraw/zinc/35/95/25/500359525.db2.gz VUNAFDSGINCCRM-YDZRNGNQSA-N 2 1 357.542 3.132 20 0 FGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423303392 500362511 /nfs/dbraw/zinc/36/25/11/500362511.db2.gz XAWYKTCNTSKOID-AEFFLSMTSA-N 2 1 367.559 3.029 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423387643 500369694 /nfs/dbraw/zinc/36/96/94/500369694.db2.gz SSKABVRWLWIXHG-WWMYMODYSA-N 2 1 351.494 3.489 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)C[C@H](C)O1 ZINC000423410423 500371902 /nfs/dbraw/zinc/37/19/02/500371902.db2.gz CXMBGAJVEPIPFF-FCEWJHQRSA-N 2 1 359.514 3.013 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)C[C@H](C)O1 ZINC000423410423 500371904 /nfs/dbraw/zinc/37/19/04/500371904.db2.gz CXMBGAJVEPIPFF-FCEWJHQRSA-N 2 1 359.514 3.013 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423429206 500374189 /nfs/dbraw/zinc/37/41/89/500374189.db2.gz JZSKOYXEPWXYMK-UXHICEINSA-N 2 1 357.542 3.135 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423429205 500374333 /nfs/dbraw/zinc/37/43/33/500374333.db2.gz JZSKOYXEPWXYMK-PMACEKPBSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423444414 500375406 /nfs/dbraw/zinc/37/54/06/500375406.db2.gz WRMNOCMEXYCORM-MRXNPFEDSA-N 2 1 362.477 3.434 20 0 FGADMP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000431425830 500375938 /nfs/dbraw/zinc/37/59/38/500375938.db2.gz AMXJIEJXWMAMQL-UHFFFAOYSA-N 2 1 368.456 3.219 20 0 FGADMP Clc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507564 500380456 /nfs/dbraw/zinc/38/04/56/500380456.db2.gz JOHNQWAUUWEJJH-TVPLGVNVSA-N 2 1 363.933 3.360 20 0 FGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423521833 500381753 /nfs/dbraw/zinc/38/17/53/500381753.db2.gz UCWMRZMRMSQMHF-GTPINHCMSA-N 2 1 367.484 3.463 20 0 FGADMP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000419696433 500390182 /nfs/dbraw/zinc/39/01/82/500390182.db2.gz VEMHSOYASDBARV-MOPGFXCFSA-N 2 1 356.558 3.289 20 0 FGADMP Cc1ccc([C@@H](N)C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000423742911 500398081 /nfs/dbraw/zinc/39/80/81/500398081.db2.gz LSDQAMJPLUWPSX-OXQOHEQNSA-N 2 1 355.457 3.039 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423775572 500400835 /nfs/dbraw/zinc/40/08/35/500400835.db2.gz MJUPIAKBWXHONP-MSOLQXFVSA-N 2 1 351.494 3.443 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423812898 500405060 /nfs/dbraw/zinc/40/50/60/500405060.db2.gz PISZVBOGOCLCLZ-BJOOFOGMSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423812898 500405062 /nfs/dbraw/zinc/40/50/62/500405062.db2.gz PISZVBOGOCLCLZ-BJOOFOGMSA-N 2 1 355.885 3.247 20 0 FGADMP CC[C@@H](C)[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431689308 500409172 /nfs/dbraw/zinc/40/91/72/500409172.db2.gz BKJHDIZCCUXCCM-MSOLQXFVSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[NH+]1CCCCC1 ZINC000423942235 500421677 /nfs/dbraw/zinc/42/16/77/500421677.db2.gz DRXHBROQWMJAOO-INIZCTEOSA-N 2 1 350.532 3.059 20 0 FGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[NH2+]CC2)n1 ZINC000420162008 500422375 /nfs/dbraw/zinc/42/23/75/500422375.db2.gz KBRFBALAMPYPDM-UHFFFAOYSA-N 2 1 367.522 3.220 20 0 FGADMP CC[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@@H+](C)Cc1ccccc1 ZINC000423969040 500426562 /nfs/dbraw/zinc/42/65/62/500426562.db2.gz LBLDKPBVKGSTDC-QGZVFWFLSA-N 2 1 372.538 3.459 20 0 FGADMP C[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000424003507 500433568 /nfs/dbraw/zinc/43/35/68/500433568.db2.gz RGXPLBMXJTYWKL-AVRDEDQJSA-N 2 1 365.521 3.376 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1c1ccccc1 ZINC000420313379 500439723 /nfs/dbraw/zinc/43/97/23/500439723.db2.gz JOIBVRLCASUWAU-WBVHZDCISA-N 2 1 352.413 3.050 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3ccccc3F)no2)C[C@H]1c1ccccc1 ZINC000420313379 500439725 /nfs/dbraw/zinc/43/97/25/500439725.db2.gz JOIBVRLCASUWAU-WBVHZDCISA-N 2 1 352.413 3.050 20 0 FGADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320262 500440633 /nfs/dbraw/zinc/44/06/33/500440633.db2.gz BCKQOAJZEKOTFM-SFTDATJTSA-N 2 1 351.494 3.482 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341959 500444658 /nfs/dbraw/zinc/44/46/58/500444658.db2.gz PBTASQNWBADLIC-MCIONIFRSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341959 500444660 /nfs/dbraw/zinc/44/46/60/500444660.db2.gz PBTASQNWBADLIC-MCIONIFRSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339937 500444730 /nfs/dbraw/zinc/44/47/30/500444730.db2.gz ZKDVAICXSJEXIW-HYVNUMGLSA-N 2 1 358.461 3.182 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344271 500445593 /nfs/dbraw/zinc/44/55/93/500445593.db2.gz SJOISRKNTJAWFA-NRDMVMEKSA-N 2 1 357.542 3.354 20 0 FGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359100 500446762 /nfs/dbraw/zinc/44/67/62/500446762.db2.gz FVCSPBGEROKFLX-KGVIQGDOSA-N 2 1 365.521 3.258 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420369059 500449537 /nfs/dbraw/zinc/44/95/37/500449537.db2.gz BIDFPKNSLWIAGI-WIYYLYMNSA-N 2 1 365.521 3.151 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420369059 500449541 /nfs/dbraw/zinc/44/95/41/500449541.db2.gz BIDFPKNSLWIAGI-WIYYLYMNSA-N 2 1 365.521 3.151 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369688 500449659 /nfs/dbraw/zinc/44/96/59/500449659.db2.gz BYYTZJORPQONHM-BXUZGUMPSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369688 500449661 /nfs/dbraw/zinc/44/96/61/500449661.db2.gz BYYTZJORPQONHM-BXUZGUMPSA-N 2 1 354.285 3.442 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4C[C@H]([NH3+])CCO4)CC3)cs2)o1 ZINC000420389957 500453283 /nfs/dbraw/zinc/45/32/83/500453283.db2.gz MSZTUVBZHUTQDA-QAPCUYQASA-N 2 1 361.511 3.430 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406924 500456548 /nfs/dbraw/zinc/45/65/48/500456548.db2.gz UUOBUYUUUYFADX-WMLDXEAASA-N 2 1 369.431 3.498 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420407825 500456958 /nfs/dbraw/zinc/45/69/58/500456958.db2.gz VMXVCKRPBPGXBY-YOEHRIQHSA-N 2 1 353.304 3.292 20 0 FGADMP CC(C)[N@@H+]1CCO[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000420483162 500463200 /nfs/dbraw/zinc/46/32/00/500463200.db2.gz MOOQJSGOILPWBJ-SFHVURJKSA-N 2 1 356.470 3.114 20 0 FGADMP CC(C)[N@H+]1CCO[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000420483162 500463202 /nfs/dbraw/zinc/46/32/02/500463202.db2.gz MOOQJSGOILPWBJ-SFHVURJKSA-N 2 1 356.470 3.114 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065477 500464526 /nfs/dbraw/zinc/46/45/26/500464526.db2.gz FNHBHPWABVPQBU-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287029 500481917 /nfs/dbraw/zinc/48/19/17/500481917.db2.gz IFDGZFLLFPDBCT-DYVFJYSZSA-N 2 1 365.880 3.048 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C(C)(C)C1 ZINC000428213633 500482056 /nfs/dbraw/zinc/48/20/56/500482056.db2.gz UTUGJHAGEWRZMD-HNNXBMFYSA-N 2 1 364.559 3.434 20 0 FGADMP COc1ccnc(N2CCN(C[C@H](OC(C)C)c3ccccc3)CC2)c1 ZINC000428211730 500482398 /nfs/dbraw/zinc/48/23/98/500482398.db2.gz XYUZWUXEEXJKQA-FQEVSTJZSA-N 2 1 355.482 3.379 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3([NH+]4CCC(OC)CC4)CCCC3)C[C@H]2C1 ZINC000424295741 500482704 /nfs/dbraw/zinc/48/27/04/500482704.db2.gz FLLMQNFICBBEBS-XGPVDZAGSA-N 2 1 350.547 3.203 20 0 FGADMP COc1ccc(Br)cc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292891 500482743 /nfs/dbraw/zinc/48/27/43/500482743.db2.gz OPGXMEQYTPJRKH-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424328830 500487624 /nfs/dbraw/zinc/48/76/24/500487624.db2.gz FWNRPKBEPMXLKH-UKIRVEGOSA-N 2 1 372.553 3.317 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424328830 500487627 /nfs/dbraw/zinc/48/76/27/500487627.db2.gz FWNRPKBEPMXLKH-UKIRVEGOSA-N 2 1 372.553 3.317 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612823 506198992 /nfs/dbraw/zinc/19/89/92/506198992.db2.gz OZWMWIIFVDYIDS-PKOBYXMFSA-N 2 1 368.477 3.437 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612823 506198995 /nfs/dbraw/zinc/19/89/95/506198995.db2.gz OZWMWIIFVDYIDS-PKOBYXMFSA-N 2 1 368.477 3.437 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000420782090 500499783 /nfs/dbraw/zinc/49/97/83/500499783.db2.gz QHTWQNCPNPUCSR-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)C1 ZINC000420782090 500499785 /nfs/dbraw/zinc/49/97/85/500499785.db2.gz QHTWQNCPNPUCSR-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)C1 ZINC000420782090 500499786 /nfs/dbraw/zinc/49/97/86/500499786.db2.gz QHTWQNCPNPUCSR-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC000432353238 500503524 /nfs/dbraw/zinc/50/35/24/500503524.db2.gz JGOISCRXRXKUKH-CQSZACIVSA-N 2 1 371.319 3.048 20 0 FGADMP CN(C/C=C\c1ccc(F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428432759 500509354 /nfs/dbraw/zinc/50/93/54/500509354.db2.gz RAUWEEFKDIHQDS-ZQAYIGKJSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@H+](C/C=C\c1ccc(F)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432759 500509356 /nfs/dbraw/zinc/50/93/56/500509356.db2.gz RAUWEEFKDIHQDS-ZQAYIGKJSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432759 500509357 /nfs/dbraw/zinc/50/93/57/500509357.db2.gz RAUWEEFKDIHQDS-ZQAYIGKJSA-N 2 1 354.469 3.408 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404280 500511035 /nfs/dbraw/zinc/51/10/35/500511035.db2.gz DKAHAMFWCYLMHP-SJORKVTESA-N 2 1 374.504 3.471 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404280 500511037 /nfs/dbraw/zinc/51/10/37/500511037.db2.gz DKAHAMFWCYLMHP-SJORKVTESA-N 2 1 374.504 3.471 20 0 FGADMP Cc1cc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc(C)n1 ZINC000420861650 500517285 /nfs/dbraw/zinc/51/72/85/500517285.db2.gz OWPBJPWXYHVPMB-QGZVFWFLSA-N 2 1 366.509 3.362 20 0 FGADMP C[N@H+](CCOc1ccccc1F)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901404 500526447 /nfs/dbraw/zinc/52/64/47/500526447.db2.gz LAPAUKWPYZJKAS-UHFFFAOYSA-N 2 1 358.457 3.169 20 0 FGADMP C[N@@H+](CCOc1ccccc1F)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420901404 500526450 /nfs/dbraw/zinc/52/64/50/500526450.db2.gz LAPAUKWPYZJKAS-UHFFFAOYSA-N 2 1 358.457 3.169 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000420913301 500528756 /nfs/dbraw/zinc/52/87/56/500528756.db2.gz IXSYSLKROPBEJE-JOCHJYFZSA-N 2 1 358.526 3.442 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000420913301 500528758 /nfs/dbraw/zinc/52/87/58/500528758.db2.gz IXSYSLKROPBEJE-JOCHJYFZSA-N 2 1 358.526 3.442 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000420985927 500548443 /nfs/dbraw/zinc/54/84/43/500548443.db2.gz XHFMYERNPVIBLD-NRFANRHFSA-N 2 1 363.590 3.360 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C[C@H](C)C2)CC1 ZINC000432781779 500562774 /nfs/dbraw/zinc/56/27/74/500562774.db2.gz PTMPCTVGGPFARD-OALUTQOASA-N 2 1 371.569 3.444 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(C)C)C2)CC1 ZINC000432790286 500564147 /nfs/dbraw/zinc/56/41/47/500564147.db2.gz BSGXOQINXNHJDA-HXUWFJFHSA-N 2 1 371.569 3.444 20 0 FGADMP Cc1ccc(NC(=O)CCN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346810 500594846 /nfs/dbraw/zinc/59/48/46/500594846.db2.gz HCZQFGZRXAWEOU-RTBURBONSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346810 500594848 /nfs/dbraw/zinc/59/48/48/500594848.db2.gz HCZQFGZRXAWEOU-RTBURBONSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346810 500594849 /nfs/dbraw/zinc/59/48/49/500594849.db2.gz HCZQFGZRXAWEOU-RTBURBONSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000447346810 500594851 /nfs/dbraw/zinc/59/48/51/500594851.db2.gz HCZQFGZRXAWEOU-RTBURBONSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000447346810 500594855 /nfs/dbraw/zinc/59/48/55/500594855.db2.gz HCZQFGZRXAWEOU-RTBURBONSA-N 2 1 358.530 3.305 20 0 FGADMP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC2(CCC2)C1 ZINC000433057155 500615462 /nfs/dbraw/zinc/61/54/62/500615462.db2.gz GEBXHJNSBSQFAS-QHAWAJNXSA-N 2 1 354.538 3.429 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761802 500622080 /nfs/dbraw/zinc/62/20/80/500622080.db2.gz YTFCPKVRZVSYBJ-LMMKCTJWSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761802 500622085 /nfs/dbraw/zinc/62/20/85/500622085.db2.gz YTFCPKVRZVSYBJ-LMMKCTJWSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767481 500622677 /nfs/dbraw/zinc/62/26/77/500622677.db2.gz QVVZFQGEFWPFHV-WMZOPIPTSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767481 500622679 /nfs/dbraw/zinc/62/26/79/500622679.db2.gz QVVZFQGEFWPFHV-WMZOPIPTSA-N 2 1 361.505 3.156 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433085250 500622849 /nfs/dbraw/zinc/62/28/49/500622849.db2.gz UDXSEEUTEPPFMZ-DNJQPREOSA-N 2 1 374.569 3.269 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766689 500623052 /nfs/dbraw/zinc/62/30/52/500623052.db2.gz OTHPNAKHYFNBRH-XFQAVAEZSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766689 500623058 /nfs/dbraw/zinc/62/30/58/500623058.db2.gz OTHPNAKHYFNBRH-XFQAVAEZSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801403 500627819 /nfs/dbraw/zinc/62/78/19/500627819.db2.gz OMSZRBDQTAHAHV-XMSQKQJNSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801403 500627820 /nfs/dbraw/zinc/62/78/20/500627820.db2.gz OMSZRBDQTAHAHV-XMSQKQJNSA-N 2 1 363.505 3.424 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1(C)C ZINC000442864661 500636227 /nfs/dbraw/zinc/63/62/27/500636227.db2.gz DHCKWAZZGWQAAC-QGZVFWFLSA-N 2 1 351.922 3.169 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442867175 500636487 /nfs/dbraw/zinc/63/64/87/500636487.db2.gz KNOPCGSSMFFVOU-OAHLLOKOSA-N 2 1 357.464 3.252 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443057761 500670425 /nfs/dbraw/zinc/67/04/25/500670425.db2.gz LDENMZYTPDFOAW-UWJYYQICSA-N 2 1 371.550 3.405 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443065392 500672113 /nfs/dbraw/zinc/67/21/13/500672113.db2.gz ZTCAESYMLNGOLY-BZSNNMDCSA-N 2 1 353.510 3.466 20 0 FGADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835649 500703739 /nfs/dbraw/zinc/70/37/39/500703739.db2.gz BFKWOFQMORXFLX-LJQANCHMSA-N 2 1 373.541 3.154 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000438185334 500751585 /nfs/dbraw/zinc/75/15/85/500751585.db2.gz CKVRAMAWGIDMRP-SQNIBIBYSA-N 2 1 356.432 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000438185334 500751588 /nfs/dbraw/zinc/75/15/88/500751588.db2.gz CKVRAMAWGIDMRP-SQNIBIBYSA-N 2 1 356.432 3.334 20 0 FGADMP CCc1cc(N2CCC[N@H+](CC(=O)N(CC)CC)CC2)c2ccccc2[nH+]1 ZINC000443671227 500753558 /nfs/dbraw/zinc/75/35/58/500753558.db2.gz BYCZOIUIJOUJDI-UHFFFAOYSA-N 2 1 368.525 3.178 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000438576817 500803460 /nfs/dbraw/zinc/80/34/60/500803460.db2.gz KLUNFHVDBKMKIJ-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000438576817 500803462 /nfs/dbraw/zinc/80/34/62/500803462.db2.gz KLUNFHVDBKMKIJ-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000438576817 500803465 /nfs/dbraw/zinc/80/34/65/500803465.db2.gz KLUNFHVDBKMKIJ-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189676 500808723 /nfs/dbraw/zinc/80/87/23/500808723.db2.gz OFSMSPGCJFIHLZ-WMZOPIPTSA-N 2 1 363.571 3.043 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000438861904 500828394 /nfs/dbraw/zinc/82/83/94/500828394.db2.gz STCQRKLICDMOCE-FQEVSTJZSA-N 2 1 369.513 3.182 20 0 FGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660296 506219319 /nfs/dbraw/zinc/21/93/19/506219319.db2.gz DVQKBLGEIRCFQL-XQBPLPMBSA-N 2 1 371.569 3.128 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2cccc(F)c2Br)CC1 ZINC000449024560 500901468 /nfs/dbraw/zinc/90/14/68/500901468.db2.gz BUAQMJSLYDISBH-UHFFFAOYSA-N 2 1 359.283 3.131 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N(C)C)nc2)CC1 ZINC000449072759 500916818 /nfs/dbraw/zinc/91/68/18/500916818.db2.gz GLQYOYOSVYYGRO-GOSISDBHSA-N 2 1 352.526 3.333 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(NC(N)=O)cc2)CC1 ZINC000449070666 500917342 /nfs/dbraw/zinc/91/73/42/500917342.db2.gz DODTWSAWJJURJU-QGZVFWFLSA-N 2 1 366.509 3.362 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134132 500932447 /nfs/dbraw/zinc/93/24/47/500932447.db2.gz HCKWGUKNUXZBNY-ZHALLVOQSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(N(C)C)CCSC2)CC1 ZINC000449174965 500941066 /nfs/dbraw/zinc/94/10/66/500941066.db2.gz JGNRIQPBJBZKLB-GHTZIAJQSA-N 2 1 361.599 3.109 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000449180764 500942475 /nfs/dbraw/zinc/94/24/75/500942475.db2.gz BZCBHZWZNPXMCP-XLIONFOSSA-N 2 1 357.542 3.071 20 0 FGADMP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435297148 500952835 /nfs/dbraw/zinc/95/28/35/500952835.db2.gz HBSFDTTYMMWEJA-HXUWFJFHSA-N 2 1 371.504 3.197 20 0 FGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435297148 500952837 /nfs/dbraw/zinc/95/28/37/500952837.db2.gz HBSFDTTYMMWEJA-HXUWFJFHSA-N 2 1 371.504 3.197 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000435375289 500962371 /nfs/dbraw/zinc/96/23/71/500962371.db2.gz LMKWSTPALKHAEV-WBVHZDCISA-N 2 1 356.514 3.483 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCc1ccccc1 ZINC000435380878 500964034 /nfs/dbraw/zinc/96/40/34/500964034.db2.gz UFHLABSRIJXQBO-SLFFLAALSA-N 2 1 352.478 3.443 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]12 ZINC000435388598 500965748 /nfs/dbraw/zinc/96/57/48/500965748.db2.gz HLVRJUMSJFQMPY-CGTJXYLNSA-N 2 1 364.415 3.119 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c2)cc1 ZINC000435395074 500967336 /nfs/dbraw/zinc/96/73/36/500967336.db2.gz QTMGQIWTLVXONJ-YWZLYKJASA-N 2 1 353.466 3.117 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)c2)cc1 ZINC000435395074 500967339 /nfs/dbraw/zinc/96/73/39/500967339.db2.gz QTMGQIWTLVXONJ-YWZLYKJASA-N 2 1 353.466 3.117 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000449325564 500977452 /nfs/dbraw/zinc/97/74/52/500977452.db2.gz NOEPJGAZUQWDQQ-HZPDHXFCSA-N 2 1 352.544 3.147 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000440171718 500983889 /nfs/dbraw/zinc/98/38/89/500983889.db2.gz BJIBQKZUIBXWJW-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000440171718 500983893 /nfs/dbraw/zinc/98/38/93/500983893.db2.gz BJIBQKZUIBXWJW-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000440171718 500983896 /nfs/dbraw/zinc/98/38/96/500983896.db2.gz BJIBQKZUIBXWJW-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617246 501002648 /nfs/dbraw/zinc/00/26/48/501002648.db2.gz VOPDLHFABMNRJH-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617246 501002651 /nfs/dbraw/zinc/00/26/51/501002651.db2.gz VOPDLHFABMNRJH-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435629448 501004191 /nfs/dbraw/zinc/00/41/91/501004191.db2.gz XLLZEVAJHLKWSA-HKUYNNGSSA-N 2 1 361.530 3.117 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435629448 501004193 /nfs/dbraw/zinc/00/41/93/501004193.db2.gz XLLZEVAJHLKWSA-HKUYNNGSSA-N 2 1 361.530 3.117 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629450 501004504 /nfs/dbraw/zinc/00/45/04/501004504.db2.gz XLLZEVAJHLKWSA-MJGOQNOKSA-N 2 1 361.530 3.117 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629450 501004507 /nfs/dbraw/zinc/00/45/07/501004507.db2.gz XLLZEVAJHLKWSA-MJGOQNOKSA-N 2 1 361.530 3.117 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000440475888 501012611 /nfs/dbraw/zinc/01/26/11/501012611.db2.gz GJXZRMOXRAPUNW-GOSISDBHSA-N 2 1 355.526 3.014 20 0 FGADMP CCn1ccnc1C[N@H+](CCCOc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696279 501013231 /nfs/dbraw/zinc/01/32/31/501013231.db2.gz PDGOWNRFZKAYRY-HXUWFJFHSA-N 2 1 368.525 3.316 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCOc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696279 501013235 /nfs/dbraw/zinc/01/32/35/501013235.db2.gz PDGOWNRFZKAYRY-HXUWFJFHSA-N 2 1 368.525 3.316 20 0 FGADMP C[C@H]1CN(Cc2ncc(CN(C)C)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449552857 501031405 /nfs/dbraw/zinc/03/14/05/501031405.db2.gz KRQNAHBEOYXCIC-QGZVFWFLSA-N 2 1 358.555 3.159 20 0 FGADMP C[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449552857 501031411 /nfs/dbraw/zinc/03/14/11/501031411.db2.gz KRQNAHBEOYXCIC-QGZVFWFLSA-N 2 1 358.555 3.159 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c2nccn21 ZINC000449572328 501035094 /nfs/dbraw/zinc/03/50/94/501035094.db2.gz MVYQPORIIBWSIG-APWZRJJASA-N 2 1 353.514 3.209 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c2nccn21 ZINC000449572331 501035147 /nfs/dbraw/zinc/03/51/47/501035147.db2.gz MVYQPORIIBWSIG-VQIMIIECSA-N 2 1 353.514 3.209 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000449573821 501036160 /nfs/dbraw/zinc/03/61/60/501036160.db2.gz SFQBUXSPBRZDEX-IEBWSBKVSA-N 2 1 353.514 3.211 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449588927 501039437 /nfs/dbraw/zinc/03/94/37/501039437.db2.gz JHQKELRBXTZFFZ-JWUVWSEFSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449588927 501039439 /nfs/dbraw/zinc/03/94/39/501039439.db2.gz JHQKELRBXTZFFZ-JWUVWSEFSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000445875573 501045004 /nfs/dbraw/zinc/04/50/04/501045004.db2.gz OBXPOKAKPULVDH-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CCn1c2ccc(F)cc2nc1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000436020352 501057760 /nfs/dbraw/zinc/05/77/60/501057760.db2.gz FCKWEJYHOIVJNY-UHFFFAOYSA-N 2 1 373.501 3.452 20 0 FGADMP CCn1c2ccc(F)cc2nc1NCc1nc2c(s1)CN(C(C)C)CC2 ZINC000436020352 501057761 /nfs/dbraw/zinc/05/77/61/501057761.db2.gz FCKWEJYHOIVJNY-UHFFFAOYSA-N 2 1 373.501 3.452 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000440924604 501064318 /nfs/dbraw/zinc/06/43/18/501064318.db2.gz OHBGMQSRPKXDHD-LJQANCHMSA-N 2 1 364.578 3.064 20 0 FGADMP CC1(C)CCCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446068419 501069259 /nfs/dbraw/zinc/06/92/59/501069259.db2.gz CODGAQHCRLXWRA-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1cccc2ccccc21 ZINC000441260042 501109750 /nfs/dbraw/zinc/10/97/50/501109750.db2.gz FKUPLLGMJBIPHZ-CBQOVEMMSA-N 2 1 354.494 3.402 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3OC3CC3)CC2)CC1 ZINC000450584053 501160973 /nfs/dbraw/zinc/16/09/73/501160973.db2.gz KOLSULBBDVZOHD-UHFFFAOYSA-N 2 1 357.542 3.218 20 0 FGADMP C[C@H]1COCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCOC[C@H](C)C3)c2)C1 ZINC000450621330 501167991 /nfs/dbraw/zinc/16/79/91/501167991.db2.gz ZXBPZWRVCRFDRP-IAGOWNOFSA-N 2 1 366.933 3.277 20 0 FGADMP C[C@H]1COCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCOC[C@H](C)C3)c2)C1 ZINC000450621330 501167995 /nfs/dbraw/zinc/16/79/95/501167995.db2.gz ZXBPZWRVCRFDRP-IAGOWNOFSA-N 2 1 366.933 3.277 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000450730512 501195661 /nfs/dbraw/zinc/19/56/61/501195661.db2.gz WSQBLPHITVBZFY-FUHWJXTLSA-N 2 1 364.555 3.223 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000450730512 501195665 /nfs/dbraw/zinc/19/56/65/501195665.db2.gz WSQBLPHITVBZFY-FUHWJXTLSA-N 2 1 364.555 3.223 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]c4ccccc34)C2)cc(OC)c1 ZINC000447058884 501198426 /nfs/dbraw/zinc/19/84/26/501198426.db2.gz JQMUECTZJGKVRW-KRWDZBQOSA-N 2 1 363.461 3.360 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000451179114 501250279 /nfs/dbraw/zinc/25/02/79/501250279.db2.gz CKWOTIGVTWGVID-LVCYWYKZSA-N 2 1 357.542 3.242 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453087044 501265996 /nfs/dbraw/zinc/26/59/96/501265996.db2.gz VHNXDPRYCARPBN-WJMWBRGCSA-N 2 1 357.542 3.324 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](C)n4ccnc43)CC2)cs1 ZINC000453104782 501269850 /nfs/dbraw/zinc/26/98/50/501269850.db2.gz DMTABVTVNFCNKF-PBHICJAKSA-N 2 1 359.543 3.410 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453120981 501273373 /nfs/dbraw/zinc/27/33/73/501273373.db2.gz KMOFODZGVSRKCS-GSPCLOLRSA-N 2 1 372.553 3.462 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453224792 501294536 /nfs/dbraw/zinc/29/45/36/501294536.db2.gz XASWYOPKMQIDLP-NJDAHSKKSA-N 2 1 369.553 3.326 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000453312571 501312552 /nfs/dbraw/zinc/31/25/52/501312552.db2.gz VGVFAIVQUQNVTP-WBVHZDCISA-N 2 1 350.503 3.107 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000457821075 501316676 /nfs/dbraw/zinc/31/66/76/501316676.db2.gz WALWUGZSIBQWRI-UHFFFAOYSA-N 2 1 374.573 3.243 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380066 501322060 /nfs/dbraw/zinc/32/20/60/501322060.db2.gz ZMDUYSGSQBWCDU-ZLHSVIROSA-N 2 1 374.479 3.461 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000453414385 501326950 /nfs/dbraw/zinc/32/69/50/501326950.db2.gz YSIZBFRXURTXOM-FIKGOQFSSA-N 2 1 366.521 3.492 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327708 /nfs/dbraw/zinc/32/77/08/501327708.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327710 /nfs/dbraw/zinc/32/77/10/501327710.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@@H]1C ZINC000451572629 501327713 /nfs/dbraw/zinc/32/77/13/501327713.db2.gz QTKAJVSDUXXEQI-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccccc2)cn2cc[nH+]c12 ZINC000455671842 501361156 /nfs/dbraw/zinc/36/11/56/501361156.db2.gz XCFUHEWQYJTWOP-UHFFFAOYSA-N 2 1 351.454 3.238 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)ccc21 ZINC000455924877 501417261 /nfs/dbraw/zinc/41/72/61/501417261.db2.gz MTMYBHHPQOORRC-LSTHTHJFSA-N 2 1 356.514 3.184 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455949730 501424055 /nfs/dbraw/zinc/42/40/55/501424055.db2.gz YYNUGHKCIOZBIV-JXFKEZNVSA-N 2 1 358.530 3.431 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000458396837 501435781 /nfs/dbraw/zinc/43/57/81/501435781.db2.gz DBLUEYFVLXKHLV-RXVVDRJESA-N 2 1 372.557 3.338 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1 ZINC000452175940 501454232 /nfs/dbraw/zinc/45/42/32/501454232.db2.gz UVGXMUCYQVOREH-SFHVURJKSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000452175940 501454234 /nfs/dbraw/zinc/45/42/34/501454234.db2.gz UVGXMUCYQVOREH-SFHVURJKSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000452175940 501454236 /nfs/dbraw/zinc/45/42/36/501454236.db2.gz UVGXMUCYQVOREH-SFHVURJKSA-N 2 1 357.542 3.475 20 0 FGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458654958 501499758 /nfs/dbraw/zinc/49/97/58/501499758.db2.gz BWDGGRFZDPKMOH-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665699 501502498 /nfs/dbraw/zinc/50/24/98/501502498.db2.gz JCFAYWYUBVVNOJ-LEWJYISDSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000458665699 501502501 /nfs/dbraw/zinc/50/25/01/501502501.db2.gz JCFAYWYUBVVNOJ-LEWJYISDSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000458665699 501502503 /nfs/dbraw/zinc/50/25/03/501502503.db2.gz JCFAYWYUBVVNOJ-LEWJYISDSA-N 2 1 372.557 3.021 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCC1 ZINC000458971461 501568540 /nfs/dbraw/zinc/56/85/40/501568540.db2.gz KAULLTMHBDKMHS-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCC1 ZINC000458971461 501568542 /nfs/dbraw/zinc/56/85/42/501568542.db2.gz KAULLTMHBDKMHS-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CCC1 ZINC000458971461 501568545 /nfs/dbraw/zinc/56/85/45/501568545.db2.gz KAULLTMHBDKMHS-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000459122419 501597796 /nfs/dbraw/zinc/59/77/96/501597796.db2.gz ZPRAJRJCCSAJPV-UHFFFAOYSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133040 501600628 /nfs/dbraw/zinc/60/06/28/501600628.db2.gz BZFPVVSMSONRRZ-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)OC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017197 501602167 /nfs/dbraw/zinc/60/21/67/501602167.db2.gz MSKUJJQPIKZQAF-FGZHOGPDSA-N 2 1 374.569 3.395 20 0 FGADMP CCOCC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030709 501604629 /nfs/dbraw/zinc/60/46/29/501604629.db2.gz YQSDJPKJJIMTES-FCHUYYIVSA-N 2 1 374.569 3.397 20 0 FGADMP Cn1cncc1CC[N@H+]1CCCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000459376744 501642111 /nfs/dbraw/zinc/64/21/11/501642111.db2.gz RXIASTMBYVKLES-UHFFFAOYSA-N 2 1 353.297 3.482 20 0 FGADMP CN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459445710 501655413 /nfs/dbraw/zinc/65/54/13/501655413.db2.gz SIHLZJIHJXYLJT-OALUTQOASA-N 2 1 351.897 3.441 20 0 FGADMP c1ncn(CC[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459529636 501670540 /nfs/dbraw/zinc/67/05/40/501670540.db2.gz SBGTVCFPTZSLFJ-QFIPXVFZSA-N 2 1 367.541 3.435 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459678638 501697956 /nfs/dbraw/zinc/69/79/56/501697956.db2.gz RWQOOYXNWMQSDB-LEWJYISDSA-N 2 1 357.542 3.244 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000457538170 501718698 /nfs/dbraw/zinc/71/86/98/501718698.db2.gz WZYAAYMBNHSDSJ-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000460163837 501745717 /nfs/dbraw/zinc/74/57/17/501745717.db2.gz CRNGGELBOOHATB-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474317387 501787285 /nfs/dbraw/zinc/78/72/85/501787285.db2.gz MGXZNZHRNWBFDT-KRWDZBQOSA-N 2 1 357.542 3.005 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000467419707 501790335 /nfs/dbraw/zinc/79/03/35/501790335.db2.gz RQZDHDQXUVZIER-PTUXOGIPSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000467419707 501790341 /nfs/dbraw/zinc/79/03/41/501790341.db2.gz RQZDHDQXUVZIER-PTUXOGIPSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382870 501809920 /nfs/dbraw/zinc/80/99/20/501809920.db2.gz VJPKKQPMZDOYGX-WIYYLYMNSA-N 2 1 353.510 3.407 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858063 501812364 /nfs/dbraw/zinc/81/23/64/501812364.db2.gz KJSRDBHQTWGQHU-SYYKKAFVSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858063 501812367 /nfs/dbraw/zinc/81/23/67/501812367.db2.gz KJSRDBHQTWGQHU-SYYKKAFVSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000481921506 501919230 /nfs/dbraw/zinc/91/92/30/501919230.db2.gz HEKZZTJTOURKPQ-INIZCTEOSA-N 2 1 357.464 3.254 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000474729808 501935709 /nfs/dbraw/zinc/93/57/09/501935709.db2.gz GTVFECFFAAGXTR-PMACEKPBSA-N 2 1 371.569 3.309 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000474730606 501936307 /nfs/dbraw/zinc/93/63/07/501936307.db2.gz ZNIRFKLCRFRNCL-UHFFFAOYSA-N 2 1 359.514 3.460 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038275 501953878 /nfs/dbraw/zinc/95/38/78/501953878.db2.gz YMOCIQRWXXABOT-UGKGYDQZSA-N 2 1 370.541 3.141 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000482080339 501968644 /nfs/dbraw/zinc/96/86/44/501968644.db2.gz JNWVZQMVWHUGDA-JRGCBEDISA-N 2 1 357.542 3.497 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@H](C)C1 ZINC000482129044 501983290 /nfs/dbraw/zinc/98/32/90/501983290.db2.gz RKXIDNDLCMDILI-UYAOXDASSA-N 2 1 360.542 3.453 20 0 FGADMP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486027831 502023410 /nfs/dbraw/zinc/02/34/10/502023410.db2.gz KVWMDCVJWASXMJ-CEWLAPEOSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027831 502023414 /nfs/dbraw/zinc/02/34/14/502023414.db2.gz KVWMDCVJWASXMJ-CEWLAPEOSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027831 502023419 /nfs/dbraw/zinc/02/34/19/502023419.db2.gz KVWMDCVJWASXMJ-CEWLAPEOSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H](CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)OCc1ccccc1 ZINC000475056911 502038881 /nfs/dbraw/zinc/03/88/81/502038881.db2.gz ONYMAMSSAOEHSC-RBBKRZOGSA-N 2 1 359.558 3.084 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468416439 502053906 /nfs/dbraw/zinc/05/39/06/502053906.db2.gz ILFDQWPRKAHHRE-GUDVDZBRSA-N 2 1 357.542 3.408 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475154172 502082982 /nfs/dbraw/zinc/08/29/82/502082982.db2.gz GNXYGAWTIZTQEM-HXUWFJFHSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)NCC[N@H+](CC)C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475154172 502082988 /nfs/dbraw/zinc/08/29/88/502082988.db2.gz GNXYGAWTIZTQEM-HXUWFJFHSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)NCC[N@@H+](CC)C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475154172 502082995 /nfs/dbraw/zinc/08/29/95/502082995.db2.gz GNXYGAWTIZTQEM-HXUWFJFHSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475169118 502089289 /nfs/dbraw/zinc/08/92/89/502089289.db2.gz JPLFAYIQHIDAPU-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169118 502089298 /nfs/dbraw/zinc/08/92/98/502089298.db2.gz JPLFAYIQHIDAPU-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169118 502089305 /nfs/dbraw/zinc/08/93/05/502089305.db2.gz JPLFAYIQHIDAPU-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000461418309 502106603 /nfs/dbraw/zinc/10/66/03/502106603.db2.gz AZUMUIFNQFVVHS-LPHOPBHVSA-N 2 1 363.933 3.277 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445094 502117087 /nfs/dbraw/zinc/11/70/87/502117087.db2.gz BTSRRIVEBAJWES-NJYVYQBISA-N 2 1 357.542 3.134 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000471832154 502147941 /nfs/dbraw/zinc/14/79/41/502147941.db2.gz JUAJOGVVWAXZJD-PZJWPPBQSA-N 2 1 351.494 3.297 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000471832154 502147943 /nfs/dbraw/zinc/14/79/43/502147943.db2.gz JUAJOGVVWAXZJD-PZJWPPBQSA-N 2 1 351.494 3.297 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000468739773 502166288 /nfs/dbraw/zinc/16/62/88/502166288.db2.gz SFWMPMYKGMQEFN-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000482738800 502166381 /nfs/dbraw/zinc/16/63/81/502166381.db2.gz GUCRGDQTJCIWLG-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[N@H+]1C ZINC000486512525 502177075 /nfs/dbraw/zinc/17/70/75/502177075.db2.gz ADMREMYACLVTMX-GHTZIAJQSA-N 2 1 372.557 3.194 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000468847865 502203706 /nfs/dbraw/zinc/20/37/06/502203706.db2.gz DTMSCGLXZUQGCM-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000482872598 502204468 /nfs/dbraw/zinc/20/44/68/502204468.db2.gz UEXQYSRAHXDPFQ-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCCO2 ZINC000482872810 502204526 /nfs/dbraw/zinc/20/45/26/502204526.db2.gz DABHSUHUJHWFFD-HXUWFJFHSA-N 2 1 373.541 3.049 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Cl)cc21 ZINC000482885111 502207163 /nfs/dbraw/zinc/20/71/63/502207163.db2.gz CZXKUQQWOWQCKE-WMZOPIPTSA-N 2 1 352.906 3.380 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940252 502221807 /nfs/dbraw/zinc/22/18/07/502221807.db2.gz DEGWXYSLIHYZPT-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000468915138 502228637 /nfs/dbraw/zinc/22/86/37/502228637.db2.gz KKBNFMHKNPBDNA-VXKWHMMOSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468915138 502228641 /nfs/dbraw/zinc/22/86/41/502228641.db2.gz KKBNFMHKNPBDNA-VXKWHMMOSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468915138 502228645 /nfs/dbraw/zinc/22/86/45/502228645.db2.gz KKBNFMHKNPBDNA-VXKWHMMOSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468915138 502228648 /nfs/dbraw/zinc/22/86/48/502228648.db2.gz KKBNFMHKNPBDNA-VXKWHMMOSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468915138 502228652 /nfs/dbraw/zinc/22/86/52/502228652.db2.gz KKBNFMHKNPBDNA-VXKWHMMOSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468920438 502230246 /nfs/dbraw/zinc/23/02/46/502230246.db2.gz KACFCODAFZCGPE-TVFCKZIOSA-N 2 1 359.514 3.107 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468920438 502230250 /nfs/dbraw/zinc/23/02/50/502230250.db2.gz KACFCODAFZCGPE-TVFCKZIOSA-N 2 1 359.514 3.107 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472110108 502234868 /nfs/dbraw/zinc/23/48/68/502234868.db2.gz HMEBYFWBMLPWCT-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000468958263 502243994 /nfs/dbraw/zinc/24/39/94/502243994.db2.gz JMCOKQNEKDSEPH-FGTMMUONSA-N 2 1 361.530 3.186 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000468958263 502243998 /nfs/dbraw/zinc/24/39/98/502243998.db2.gz JMCOKQNEKDSEPH-FGTMMUONSA-N 2 1 361.530 3.186 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462001808 502269508 /nfs/dbraw/zinc/26/95/08/502269508.db2.gz JDEOELMKKHDEHC-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462013769 502274068 /nfs/dbraw/zinc/27/40/68/502274068.db2.gz LGDARZUEPOGNGC-SFHVURJKSA-N 2 1 360.546 3.021 20 0 FGADMP FC(F)CN1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000462041755 502284077 /nfs/dbraw/zinc/28/40/77/502284077.db2.gz WXOVHJVTNCZPJG-UHFFFAOYSA-N 2 1 351.485 3.013 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266591 502291177 /nfs/dbraw/zinc/29/11/77/502291177.db2.gz UVWGUPOHHKEIPJ-QUCCMNQESA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266591 502291182 /nfs/dbraw/zinc/29/11/82/502291182.db2.gz UVWGUPOHHKEIPJ-QUCCMNQESA-N 2 1 361.530 3.063 20 0 FGADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000479547512 502294189 /nfs/dbraw/zinc/29/41/89/502294189.db2.gz UXQODPKPYCKKIU-NQIIRXRSSA-N 2 1 355.526 3.156 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291154 502301906 /nfs/dbraw/zinc/30/19/06/502301906.db2.gz IRCMEUJCYVGFGK-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291154 502301908 /nfs/dbraw/zinc/30/19/08/502301908.db2.gz IRCMEUJCYVGFGK-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550144 502303139 /nfs/dbraw/zinc/30/31/39/502303139.db2.gz WLGCBGKJDIVYOQ-FQEVSTJZSA-N 2 1 374.573 3.022 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000465555469 502307380 /nfs/dbraw/zinc/30/73/80/502307380.db2.gz XKTCWXXKYBJZBL-NQIIRXRSSA-N 2 1 372.557 3.200 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000465581312 502314647 /nfs/dbraw/zinc/31/46/47/502314647.db2.gz YFZFBTOHVJIPRC-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000465581312 502314652 /nfs/dbraw/zinc/31/46/52/502314652.db2.gz YFZFBTOHVJIPRC-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000465581312 502314661 /nfs/dbraw/zinc/31/46/61/502314661.db2.gz YFZFBTOHVJIPRC-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475902877 502327303 /nfs/dbraw/zinc/32/73/03/502327303.db2.gz XFPUBIOKFHDENK-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630682 502330967 /nfs/dbraw/zinc/33/09/67/502330967.db2.gz LZKVMKSXTLZTLD-PZJWPPBQSA-N 2 1 374.573 3.238 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653698 502337742 /nfs/dbraw/zinc/33/77/42/502337742.db2.gz FWJRXIHISBQRRT-UYAOXDASSA-N 2 1 360.546 3.114 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000479675915 502340423 /nfs/dbraw/zinc/34/04/23/502340423.db2.gz OACVVYZUQFTOFE-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000479675915 502340429 /nfs/dbraw/zinc/34/04/29/502340429.db2.gz OACVVYZUQFTOFE-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000479675915 502340440 /nfs/dbraw/zinc/34/04/40/502340440.db2.gz OACVVYZUQFTOFE-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@H]1C ZINC000462270794 502374676 /nfs/dbraw/zinc/37/46/76/502374676.db2.gz VTYXDKJIQJNVGY-MJGOQNOKSA-N 2 1 373.545 3.004 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@H]1C ZINC000462270794 502374682 /nfs/dbraw/zinc/37/46/82/502374682.db2.gz VTYXDKJIQJNVGY-MJGOQNOKSA-N 2 1 373.545 3.004 20 0 FGADMP Cc1cc(C[NH2+]C2(CCO)CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000472616307 502401070 /nfs/dbraw/zinc/40/10/70/502401070.db2.gz BILDTXYBPGVGKL-UHFFFAOYSA-N 2 1 355.482 3.119 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000479876620 502406006 /nfs/dbraw/zinc/40/60/06/502406006.db2.gz UIFWXWCWXOGTPD-UFYCRDLUSA-N 2 1 363.546 3.143 20 0 FGADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493987 502411175 /nfs/dbraw/zinc/41/11/75/502411175.db2.gz SRRMCTMQSRPGLK-YADHBBJMSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493987 502411179 /nfs/dbraw/zinc/41/11/79/502411179.db2.gz SRRMCTMQSRPGLK-YADHBBJMSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000483493987 502411182 /nfs/dbraw/zinc/41/11/82/502411182.db2.gz SRRMCTMQSRPGLK-YADHBBJMSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000483493987 502411186 /nfs/dbraw/zinc/41/11/86/502411186.db2.gz SRRMCTMQSRPGLK-YADHBBJMSA-N 2 1 352.526 3.486 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890955 502416693 /nfs/dbraw/zinc/41/66/93/502416693.db2.gz KPUPGCBDAUYLKO-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000465890955 502416698 /nfs/dbraw/zinc/41/66/98/502416698.db2.gz KPUPGCBDAUYLKO-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465890955 502416702 /nfs/dbraw/zinc/41/67/02/502416702.db2.gz KPUPGCBDAUYLKO-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000462398092 502421147 /nfs/dbraw/zinc/42/11/47/502421147.db2.gz QARNFJWDJWDGIU-JOCHJYFZSA-N 2 1 365.477 3.493 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000479941143 502426002 /nfs/dbraw/zinc/42/60/02/502426002.db2.gz NYBGYYGPAPZEJD-HNNXBMFYSA-N 2 1 359.495 3.066 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000479941143 502426008 /nfs/dbraw/zinc/42/60/08/502426008.db2.gz NYBGYYGPAPZEJD-HNNXBMFYSA-N 2 1 359.495 3.066 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000462411150 502427392 /nfs/dbraw/zinc/42/73/92/502427392.db2.gz WHAJSKPQTIGCFB-SFTDATJTSA-N 2 1 369.534 3.029 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1Br ZINC000487427362 502440581 /nfs/dbraw/zinc/44/05/81/502440581.db2.gz GJQSUATYWASBMH-UHFFFAOYSA-N 2 1 368.319 3.181 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483690444 502464847 /nfs/dbraw/zinc/46/48/47/502464847.db2.gz GQHAJZIVTXAGBQ-YRPNKDGESA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483690444 502464852 /nfs/dbraw/zinc/46/48/52/502464852.db2.gz GQHAJZIVTXAGBQ-YRPNKDGESA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483690444 502464857 /nfs/dbraw/zinc/46/48/57/502464857.db2.gz GQHAJZIVTXAGBQ-YRPNKDGESA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H](CCNC(=O)NCC1([NH+](C)C)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472933552 502475500 /nfs/dbraw/zinc/47/55/00/502475500.db2.gz YYSJYZDKEAGFRG-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000462538511 502480324 /nfs/dbraw/zinc/48/03/24/502480324.db2.gz ZIYFOZRMOPKIHV-MRXNPFEDSA-N 2 1 368.953 3.142 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000588711550 506317791 /nfs/dbraw/zinc/31/77/91/506317791.db2.gz QCPXWYDWOGUDOJ-OYRHEFFESA-N 2 1 374.569 3.457 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242328 502514219 /nfs/dbraw/zinc/51/42/19/502514219.db2.gz URQNKFVPIZIUKM-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729560 502519488 /nfs/dbraw/zinc/51/94/88/502519488.db2.gz SRMQSDDMLKJSEZ-ROUUACIJSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729560 502519495 /nfs/dbraw/zinc/51/94/95/502519495.db2.gz SRMQSDDMLKJSEZ-ROUUACIJSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729560 502519500 /nfs/dbraw/zinc/51/95/00/502519500.db2.gz SRMQSDDMLKJSEZ-ROUUACIJSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729560 502519506 /nfs/dbraw/zinc/51/95/06/502519506.db2.gz SRMQSDDMLKJSEZ-ROUUACIJSA-N 2 1 356.432 3.288 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000480304887 502532407 /nfs/dbraw/zinc/53/24/07/502532407.db2.gz DTBGMHUSOJUVBT-SIKLNZKXSA-N 2 1 370.541 3.141 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761556 502535871 /nfs/dbraw/zinc/53/58/71/502535871.db2.gz UTPPQYKJOREGPA-QZTJIDSGSA-N 2 1 359.558 3.285 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894079 502558541 /nfs/dbraw/zinc/55/85/41/502558541.db2.gz HOIJKVKNYJRVDH-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cn2c(n1)SCC2 ZINC000466474557 502581123 /nfs/dbraw/zinc/58/11/23/502581123.db2.gz PFOSNBQQHNKIOR-UHFFFAOYSA-N 2 1 358.555 3.279 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965683 502582179 /nfs/dbraw/zinc/58/21/79/502582179.db2.gz WWBQYHOVNDEQSF-BMGDILEWSA-N 2 1 351.922 3.037 20 0 FGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000484148283 502584308 /nfs/dbraw/zinc/58/43/08/502584308.db2.gz SBWMYQDKOBDPJJ-HFSMHLIXSA-N 2 1 354.494 3.229 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCc2c1cccc2F ZINC000484149093 502584828 /nfs/dbraw/zinc/58/48/28/502584828.db2.gz SUYOPPKGLBGAHV-HSQYWUDLSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823673 502588848 /nfs/dbraw/zinc/58/88/48/502588848.db2.gz WGUNHIGXGNYMNO-CBQOVEMMSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823673 502588855 /nfs/dbraw/zinc/58/88/55/502588855.db2.gz WGUNHIGXGNYMNO-CBQOVEMMSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823673 502588859 /nfs/dbraw/zinc/58/88/59/502588859.db2.gz WGUNHIGXGNYMNO-CBQOVEMMSA-N 2 1 369.553 3.278 20 0 FGADMP COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484161201 502589478 /nfs/dbraw/zinc/58/94/78/502589478.db2.gz NNLXEZRQVRSNNG-XJABCFGWSA-N 2 1 354.494 3.229 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000462862651 502603505 /nfs/dbraw/zinc/60/35/05/502603505.db2.gz XACSFBZOPNYWFH-QFIPXVFZSA-N 2 1 357.542 3.462 20 0 FGADMP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000469960977 502610934 /nfs/dbraw/zinc/61/09/34/502610934.db2.gz DGJYNECZIDLJSW-GOSISDBHSA-N 2 1 374.488 3.497 20 0 FGADMP COc1sc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1Br ZINC000470005856 502627782 /nfs/dbraw/zinc/62/77/82/502627782.db2.gz JOHDEXKJGRGMPL-AWEZNQCLSA-N 2 1 359.333 3.483 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000484433061 502642829 /nfs/dbraw/zinc/64/28/29/502642829.db2.gz AHQUNCVRDNCIEK-PXNSSMCTSA-N 2 1 372.557 3.212 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1(C)C ZINC000463026843 502664338 /nfs/dbraw/zinc/66/43/38/502664338.db2.gz AUIXDKJEWIQIQQ-XSDIEEQYSA-N 2 1 360.542 3.051 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1(C)C ZINC000463026843 502664345 /nfs/dbraw/zinc/66/43/45/502664345.db2.gz AUIXDKJEWIQIQQ-XSDIEEQYSA-N 2 1 360.542 3.051 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(CC(C)C)CC(F)(F)F)CC1 ZINC000488319440 502682965 /nfs/dbraw/zinc/68/29/65/502682965.db2.gz BPBGNLRPELCHFA-UHFFFAOYSA-N 2 1 365.484 3.087 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000463087747 502689904 /nfs/dbraw/zinc/68/99/04/502689904.db2.gz WQPUQGDNLRZVFT-SFHVURJKSA-N 2 1 372.557 3.292 20 0 FGADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](CC)CC2)c1 ZINC000473736818 502691610 /nfs/dbraw/zinc/69/16/10/502691610.db2.gz BQEJPFOGDMNQKZ-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](CC)CC2)c1 ZINC000473736818 502691616 /nfs/dbraw/zinc/69/16/16/502691616.db2.gz BQEJPFOGDMNQKZ-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC000463137480 502704809 /nfs/dbraw/zinc/70/48/09/502704809.db2.gz QZQIGPFNEDAFCY-ITTUMRLJSA-N 2 1 359.558 3.128 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@H](C)O1 ZINC000463137480 502704814 /nfs/dbraw/zinc/70/48/14/502704814.db2.gz QZQIGPFNEDAFCY-ITTUMRLJSA-N 2 1 359.558 3.128 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258915 502719060 /nfs/dbraw/zinc/71/90/60/502719060.db2.gz UHHDCDRTKQQGIO-ZOBUZTSGSA-N 2 1 374.447 3.056 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1CC(F)(F)F ZINC000481018388 502729436 /nfs/dbraw/zinc/72/94/36/502729436.db2.gz RXXSVDVUZCAGTE-UHFFFAOYSA-N 2 1 359.436 3.124 20 0 FGADMP Oc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000463248520 502734955 /nfs/dbraw/zinc/73/49/55/502734955.db2.gz VGWQYYMNPLAZNB-FQEVSTJZSA-N 2 1 354.469 3.295 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000481166567 502770897 /nfs/dbraw/zinc/77/08/97/502770897.db2.gz FOADEBGHVLUSRG-WWPVKYPJSA-N 2 1 368.521 3.064 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000481175557 502773363 /nfs/dbraw/zinc/77/33/63/502773363.db2.gz WQJVSKIHWXWLRE-FPOVZHCZSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000481175557 502773370 /nfs/dbraw/zinc/77/33/70/502773370.db2.gz WQJVSKIHWXWLRE-FPOVZHCZSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481178626 502774279 /nfs/dbraw/zinc/77/42/79/502774279.db2.gz SLJBDDOHUSTOFE-WIYYLYMNSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481178626 502774281 /nfs/dbraw/zinc/77/42/81/502774281.db2.gz SLJBDDOHUSTOFE-WIYYLYMNSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000477441828 502774355 /nfs/dbraw/zinc/77/43/55/502774355.db2.gz WSIVSBCSBFAOQU-INIZCTEOSA-N 2 1 357.473 3.024 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000477488528 502786246 /nfs/dbraw/zinc/78/62/46/502786246.db2.gz HIJTWXBPTMBIEE-QGTPRVQTSA-N 2 1 369.912 3.174 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992051 502794974 /nfs/dbraw/zinc/79/49/74/502794974.db2.gz XFRJUYPNLUZZMH-UQASEVPWSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992051 502794978 /nfs/dbraw/zinc/79/49/78/502794978.db2.gz XFRJUYPNLUZZMH-UQASEVPWSA-N 2 1 371.912 3.215 20 0 FGADMP COc1cc([C@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000504899476 502820934 /nfs/dbraw/zinc/82/09/34/502820934.db2.gz HKLBACFIUXHSLA-HRAATJIYSA-N 2 1 358.457 3.122 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000504899476 502820937 /nfs/dbraw/zinc/82/09/37/502820937.db2.gz HKLBACFIUXHSLA-HRAATJIYSA-N 2 1 358.457 3.122 20 0 FGADMP O=C(c1cc(C[NH+]2CCCC2)on1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488885137 502831268 /nfs/dbraw/zinc/83/12/68/502831268.db2.gz ZLTFUNJEUKYPJC-UHFFFAOYSA-N 2 1 374.529 3.141 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cc1)C1CC1 ZINC000495684641 502858385 /nfs/dbraw/zinc/85/83/85/502858385.db2.gz PYNUMHGFNFIIAJ-NRFANRHFSA-N 2 1 355.526 3.275 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000500840858 502875048 /nfs/dbraw/zinc/87/50/48/502875048.db2.gz VLSDROHAORWXPK-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840858 502875050 /nfs/dbraw/zinc/87/50/50/502875050.db2.gz VLSDROHAORWXPK-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840858 502875052 /nfs/dbraw/zinc/87/50/52/502875052.db2.gz VLSDROHAORWXPK-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC23CC[NH+](C)CC3)cc1)C1CC1 ZINC000509329114 502876118 /nfs/dbraw/zinc/87/61/18/502876118.db2.gz WPNCGNKNQFMBDB-UHFFFAOYSA-N 2 1 355.526 3.371 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000496588770 502895274 /nfs/dbraw/zinc/89/52/74/502895274.db2.gz BINDLZDDLYTSQA-GUDVDZBRSA-N 2 1 364.578 3.155 20 0 FGADMP C[N@@H+](CC[S@@](=O)c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048781 502922220 /nfs/dbraw/zinc/92/22/20/502922220.db2.gz XMUVFYKQUUSJPK-RUZDIDTESA-N 2 1 357.523 3.038 20 0 FGADMP COC(=O)c1sccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501083124 502932038 /nfs/dbraw/zinc/93/20/38/502932038.db2.gz TYUAQHUKQAUVFF-UHFFFAOYSA-N 2 1 359.495 3.278 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000497325754 502932143 /nfs/dbraw/zinc/93/21/43/502932143.db2.gz ILRSQLDIHWSLEE-FSSWDIPSSA-N 2 1 363.505 3.200 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568561 502937099 /nfs/dbraw/zinc/93/70/99/502937099.db2.gz MITDXJXSMNUFNB-BSDSXHPESA-N 2 1 364.534 3.223 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591699 502943877 /nfs/dbraw/zinc/94/38/77/502943877.db2.gz RABBCQQMMROROT-XDNAFOTISA-N 2 1 364.534 3.081 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505629241 502954074 /nfs/dbraw/zinc/95/40/74/502954074.db2.gz FBLAQOUXYKTJOL-IOMROCGXSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505629241 502954077 /nfs/dbraw/zinc/95/40/77/502954077.db2.gz FBLAQOUXYKTJOL-IOMROCGXSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489470992 502966909 /nfs/dbraw/zinc/96/69/09/502966909.db2.gz ARFBRROFUNSGMC-ZFWWWQNUSA-N 2 1 373.310 3.476 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516137 502977712 /nfs/dbraw/zinc/97/77/12/502977712.db2.gz FXWOCJWRASMXIY-FXAWDEMLSA-N 2 1 374.525 3.119 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516137 502977716 /nfs/dbraw/zinc/97/77/16/502977716.db2.gz FXWOCJWRASMXIY-FXAWDEMLSA-N 2 1 374.525 3.119 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489610006 502998380 /nfs/dbraw/zinc/99/83/80/502998380.db2.gz XEIYLCMRZRWEMT-OAQYLSRUSA-N 2 1 358.526 3.216 20 0 FGADMP CS[C@@H]1CCCC[NH+](CCOCC[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000489619895 502999614 /nfs/dbraw/zinc/99/96/14/502999614.db2.gz INKFCXYUGKSHAZ-HDICACEKSA-N 2 1 360.633 3.438 20 0 FGADMP CS[C@@H]1CCCC[N@@H+](CCOCC[NH+]2CCCC[C@H](SC)C2)C1 ZINC000489619895 502999617 /nfs/dbraw/zinc/99/96/17/502999617.db2.gz INKFCXYUGKSHAZ-HDICACEKSA-N 2 1 360.633 3.438 20 0 FGADMP CS[C@@H]1CCCC[N@H+](CCOCC[NH+]2CCCC[C@H](SC)C2)C1 ZINC000489619895 502999618 /nfs/dbraw/zinc/99/96/18/502999618.db2.gz INKFCXYUGKSHAZ-HDICACEKSA-N 2 1 360.633 3.438 20 0 FGADMP CCCN(CCC)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489683703 503010376 /nfs/dbraw/zinc/01/03/76/503010376.db2.gz LCRYHPMQJGGWSD-UHFFFAOYSA-N 2 1 359.558 3.479 20 0 FGADMP Brc1ccsc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513817621 503029830 /nfs/dbraw/zinc/02/98/30/503029830.db2.gz LMWZJIJZLAUNOX-UHFFFAOYSA-N 2 1 373.360 3.445 20 0 FGADMP CCC[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000513817014 503029923 /nfs/dbraw/zinc/02/99/23/503029923.db2.gz ZAMDEICESGDFQM-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP CCC[N@H+](CC)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000513817014 503029920 /nfs/dbraw/zinc/02/99/20/503029920.db2.gz ZAMDEICESGDFQM-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489784564 503033853 /nfs/dbraw/zinc/03/38/53/503033853.db2.gz WOAFWZVKXJHKFE-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000497776031 503038765 /nfs/dbraw/zinc/03/87/65/503038765.db2.gz JDJPQWLGKMCFEZ-VTHDOGFWSA-N 2 1 357.542 3.465 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000501575499 503042444 /nfs/dbraw/zinc/04/24/44/503042444.db2.gz PLDHTFZIRMOPLN-IBGZPJMESA-N 2 1 366.594 3.452 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000501575499 503042446 /nfs/dbraw/zinc/04/24/46/503042446.db2.gz PLDHTFZIRMOPLN-IBGZPJMESA-N 2 1 366.594 3.452 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000501575499 503042448 /nfs/dbraw/zinc/04/24/48/503042448.db2.gz PLDHTFZIRMOPLN-IBGZPJMESA-N 2 1 366.594 3.452 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489829815 503044108 /nfs/dbraw/zinc/04/41/08/503044108.db2.gz JPYKCRDKQDXMFY-FPOVZHCZSA-N 2 1 374.573 3.315 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000514023288 503070629 /nfs/dbraw/zinc/07/06/29/503070629.db2.gz VZGWIOXEYAVFQJ-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000514129851 503094459 /nfs/dbraw/zinc/09/44/59/503094459.db2.gz CMKHDQXJHYWROY-QGZVFWFLSA-N 2 1 371.447 3.300 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000514138104 503096850 /nfs/dbraw/zinc/09/68/50/503096850.db2.gz LLGPSOKMUVAEEE-LJQANCHMSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000510405726 503107902 /nfs/dbraw/zinc/10/79/02/503107902.db2.gz GIAPDOSCNHVGCF-HOTGVXAUSA-N 2 1 357.498 3.345 20 0 FGADMP Cc1ccc(C)c([C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000514221018 503116607 /nfs/dbraw/zinc/11/66/07/503116607.db2.gz FFWOGKDEEFYDTM-HSZRJFAPSA-N 2 1 365.521 3.147 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221442 503116993 /nfs/dbraw/zinc/11/69/93/503116993.db2.gz HTZHGIOVNRYSNF-TZIWHRDSSA-N 2 1 372.557 3.163 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000498193949 503127343 /nfs/dbraw/zinc/12/73/43/503127343.db2.gz BZMFXMSYMWOULJ-QGZVFWFLSA-N 2 1 353.457 3.050 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@H]1C ZINC000498231651 503137749 /nfs/dbraw/zinc/13/77/49/503137749.db2.gz NWUXKKUAFJSMJJ-QZTJIDSGSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C[C@H]1C ZINC000498231651 503137752 /nfs/dbraw/zinc/13/77/52/503137752.db2.gz NWUXKKUAFJSMJJ-QZTJIDSGSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C[C@H]1C ZINC000498231651 503137755 /nfs/dbraw/zinc/13/77/55/503137755.db2.gz NWUXKKUAFJSMJJ-QZTJIDSGSA-N 2 1 360.546 3.151 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1C ZINC000498257773 503144037 /nfs/dbraw/zinc/14/40/37/503144037.db2.gz FAYZUIJOGTUHIN-MOPGFXCFSA-N 2 1 372.557 3.297 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596842 503151918 /nfs/dbraw/zinc/15/19/18/503151918.db2.gz DFGXCGCUAWGBCO-YADHBBJMSA-N 2 1 371.569 3.464 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596842 503151924 /nfs/dbraw/zinc/15/19/24/503151924.db2.gz DFGXCGCUAWGBCO-YADHBBJMSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596842 503151927 /nfs/dbraw/zinc/15/19/27/503151927.db2.gz DFGXCGCUAWGBCO-YADHBBJMSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596842 503151933 /nfs/dbraw/zinc/15/19/33/503151933.db2.gz DFGXCGCUAWGBCO-YADHBBJMSA-N 2 1 371.569 3.464 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3conc3C(C)(C)[NH3+])cc2)C1 ZINC000514679250 503165588 /nfs/dbraw/zinc/16/55/88/503165588.db2.gz KCUDRXFTYPLNEP-AWEZNQCLSA-N 2 1 356.470 3.353 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000502295814 503175891 /nfs/dbraw/zinc/17/58/91/503175891.db2.gz XNRFNKVUALCPBL-UHFFFAOYSA-N 2 1 356.392 3.443 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000510741727 503183894 /nfs/dbraw/zinc/18/38/94/503183894.db2.gz PCALGJSEZURHBV-RBUKOAKNSA-N 2 1 369.553 3.096 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506927802 503196087 /nfs/dbraw/zinc/19/60/87/503196087.db2.gz BKYQRVBGAJVVBZ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927802 503196090 /nfs/dbraw/zinc/19/60/90/503196090.db2.gz BKYQRVBGAJVVBZ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927802 503196092 /nfs/dbraw/zinc/19/60/92/503196092.db2.gz BKYQRVBGAJVVBZ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934681 503197326 /nfs/dbraw/zinc/19/73/26/503197326.db2.gz PKQCQWPDQOEYGI-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000502460141 503203193 /nfs/dbraw/zinc/20/31/93/503203193.db2.gz FLPIWUVMAUODKO-ROUUACIJSA-N 2 1 364.530 3.034 20 0 FGADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000502460141 503203195 /nfs/dbraw/zinc/20/31/95/503203195.db2.gz FLPIWUVMAUODKO-ROUUACIJSA-N 2 1 364.530 3.034 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473637 503205571 /nfs/dbraw/zinc/20/55/71/503205571.db2.gz DBSZIHIBZMFTQV-JTSKRJEESA-N 2 1 368.525 3.416 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000514860602 503213089 /nfs/dbraw/zinc/21/30/89/503213089.db2.gz ZXOQSZQYNYCVNB-FQEVSTJZSA-N 2 1 359.558 3.381 20 0 FGADMP CCc1ccc(CN2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000498650323 503232338 /nfs/dbraw/zinc/23/23/38/503232338.db2.gz YNUWHCNUSDGSAJ-QGZVFWFLSA-N 2 1 363.571 3.219 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000510999197 503233244 /nfs/dbraw/zinc/23/32/44/503233244.db2.gz OVFLHDRRJBQVGF-CYBMUJFWSA-N 2 1 364.877 3.251 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832768 503233429 /nfs/dbraw/zinc/23/34/29/503233429.db2.gz BKDPZWGWRYZMPN-DWLFOUALSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832768 503233431 /nfs/dbraw/zinc/23/34/31/503233431.db2.gz BKDPZWGWRYZMPN-DWLFOUALSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832768 503233433 /nfs/dbraw/zinc/23/34/33/503233433.db2.gz BKDPZWGWRYZMPN-DWLFOUALSA-N 2 1 369.553 3.420 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cn1 ZINC000490858227 503237382 /nfs/dbraw/zinc/23/73/82/503237382.db2.gz LGIODXAKWGZAOK-OAHLLOKOSA-N 2 1 351.454 3.083 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696860 503241216 /nfs/dbraw/zinc/24/12/16/503241216.db2.gz SRTSMMFWQTVMIH-CTNGQTDRSA-N 2 1 374.573 3.126 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048214 503259651 /nfs/dbraw/zinc/25/96/51/503259651.db2.gz BZDIQTJCFKFRCA-PMACEKPBSA-N 2 1 373.541 3.117 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000502837460 503285466 /nfs/dbraw/zinc/28/54/66/503285466.db2.gz ABJKMXFRNYHDRZ-IBGZPJMESA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000502894019 503301212 /nfs/dbraw/zinc/30/12/12/503301212.db2.gz JOPNZJAEQDGUAO-UYAOXDASSA-N 2 1 360.546 3.243 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899930 503303008 /nfs/dbraw/zinc/30/30/08/503303008.db2.gz QESVJINPIRAVCA-RYQLBKOJSA-N 2 1 362.518 3.025 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467183 503326811 /nfs/dbraw/zinc/32/68/11/503326811.db2.gz YBLKEOXTJLHTQY-LPHOPBHVSA-N 2 1 365.477 3.132 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395539 503330111 /nfs/dbraw/zinc/33/01/11/503330111.db2.gz OGBDEFFQOWVQQU-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395539 503330116 /nfs/dbraw/zinc/33/01/16/503330116.db2.gz OGBDEFFQOWVQQU-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395539 503330120 /nfs/dbraw/zinc/33/01/20/503330120.db2.gz OGBDEFFQOWVQQU-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000491835106 503332624 /nfs/dbraw/zinc/33/26/24/503332624.db2.gz MRZVVXMKIUPIBW-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)c2ccccc2)CC1 ZINC000503055760 503338017 /nfs/dbraw/zinc/33/80/17/503338017.db2.gz PIPAKZCBXKNJJH-TZIWHRDSSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000503086523 503343569 /nfs/dbraw/zinc/34/35/69/503343569.db2.gz UUYJNTBCNBIVGO-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000511696535 503371801 /nfs/dbraw/zinc/37/18/01/503371801.db2.gz XQMVFVSFRHOVJY-CQSZACIVSA-N 2 1 362.433 3.476 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820014 503406520 /nfs/dbraw/zinc/40/65/20/503406520.db2.gz BJZNIDZHCKRORB-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CCc1ccc(CCC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000499508010 503421130 /nfs/dbraw/zinc/42/11/30/503421130.db2.gz LOMVCPHXVHBZPM-OAQYLSRUSA-N 2 1 359.558 3.056 20 0 FGADMP COc1ccc(C(C)(C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000512021986 503436549 /nfs/dbraw/zinc/43/65/49/503436549.db2.gz FORPZSRTRHDVML-UHFFFAOYSA-N 2 1 363.527 3.289 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000516118035 503449804 /nfs/dbraw/zinc/44/98/04/503449804.db2.gz RERKWPHWWPGAKG-INIZCTEOSA-N 2 1 362.543 3.251 20 0 FGADMP CC[NH+]1CCN(c2ccc(NCc3ncc(C[NH+](C)C)s3)c(C)c2)CC1 ZINC000512069885 503449828 /nfs/dbraw/zinc/44/98/28/503449828.db2.gz ZSPZBYSJKGIQAN-UHFFFAOYSA-N 2 1 373.570 3.267 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499660086 503451833 /nfs/dbraw/zinc/45/18/33/503451833.db2.gz PBIWQPHVOKDGDJ-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660086 503451836 /nfs/dbraw/zinc/45/18/36/503451836.db2.gz PBIWQPHVOKDGDJ-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660086 503451840 /nfs/dbraw/zinc/45/18/40/503451840.db2.gz PBIWQPHVOKDGDJ-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000493953050 503465458 /nfs/dbraw/zinc/46/54/58/503465458.db2.gz QHKIWJYTNZLJPT-OAQYLSRUSA-N 2 1 352.478 3.002 20 0 FGADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)n1C(C)C ZINC000516207022 503470876 /nfs/dbraw/zinc/47/08/76/503470876.db2.gz MGQSEGYHQAYEHG-UHFFFAOYSA-N 2 1 355.486 3.085 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@@H](C)C1 ZINC000516209686 503471937 /nfs/dbraw/zinc/47/19/37/503471937.db2.gz IUCAFRICKMXYOP-LPHOPBHVSA-N 2 1 364.530 3.239 20 0 FGADMP CC[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC1 ZINC000499827105 503490464 /nfs/dbraw/zinc/49/04/64/503490464.db2.gz LIHHVSQZQGXTSD-UHFFFAOYSA-N 2 1 365.521 3.486 20 0 FGADMP CC[NH+]1CCCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000499827105 503490469 /nfs/dbraw/zinc/49/04/69/503490469.db2.gz LIHHVSQZQGXTSD-UHFFFAOYSA-N 2 1 365.521 3.486 20 0 FGADMP CC[NH+]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000499827105 503490477 /nfs/dbraw/zinc/49/04/77/503490477.db2.gz LIHHVSQZQGXTSD-UHFFFAOYSA-N 2 1 365.521 3.486 20 0 FGADMP COC(=O)c1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000512236145 503493547 /nfs/dbraw/zinc/49/35/47/503493547.db2.gz FZXDRWLOBIIKSS-OAQYLSRUSA-N 2 1 354.450 3.164 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000499924222 503512390 /nfs/dbraw/zinc/51/23/90/503512390.db2.gz WSIWTPCHUWZRRC-FGTMMUONSA-N 2 1 374.529 3.026 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000499924222 503512392 /nfs/dbraw/zinc/51/23/92/503512392.db2.gz WSIWTPCHUWZRRC-FGTMMUONSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516488607 503519765 /nfs/dbraw/zinc/51/97/65/503519765.db2.gz YAEDAAPEXXFKCT-OAGGEKHMSA-N 2 1 358.511 3.023 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@@H](c2nccn2C)C1 ZINC000516488607 503519769 /nfs/dbraw/zinc/51/97/69/503519769.db2.gz YAEDAAPEXXFKCT-OAGGEKHMSA-N 2 1 358.511 3.023 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](C(N)=O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512331699 503522226 /nfs/dbraw/zinc/52/22/26/503522226.db2.gz PFXUPIDZVHCJSU-SLYNCCJLSA-N 2 1 351.494 3.103 20 0 FGADMP C[NH+](C)Cc1cnc(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000512354488 503527536 /nfs/dbraw/zinc/52/75/36/503527536.db2.gz DPQMXHXJMOYBGJ-MRXNPFEDSA-N 2 1 352.935 3.251 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000512401387 503537892 /nfs/dbraw/zinc/53/78/92/503537892.db2.gz YOYDEPADXCELMS-UHFFFAOYSA-N 2 1 363.505 3.239 20 0 FGADMP CC[C@H](c1ccccc1)[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508672929 503541459 /nfs/dbraw/zinc/54/14/59/503541459.db2.gz UEHYQZNQXJLPIB-HXUWFJFHSA-N 2 1 353.514 3.202 20 0 FGADMP CC[C@H](c1ccccc1)[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508672929 503541461 /nfs/dbraw/zinc/54/14/61/503541461.db2.gz UEHYQZNQXJLPIB-HXUWFJFHSA-N 2 1 353.514 3.202 20 0 FGADMP c1ccc(C(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c2ccccc2)cc1 ZINC000508758410 503559474 /nfs/dbraw/zinc/55/94/74/503559474.db2.gz QUESPWYRYXCEQR-HXUWFJFHSA-N 2 1 350.506 3.473 20 0 FGADMP C(=C/C[N@@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657466 503586072 /nfs/dbraw/zinc/58/60/72/503586072.db2.gz UATGBYLCOYIEOS-HNSCLNPNSA-N 2 1 362.558 3.325 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508882798 503587833 /nfs/dbraw/zinc/58/78/33/503587833.db2.gz RHLGQADKOUEIBW-YOUFYPILSA-N 2 1 372.557 3.254 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890203 503590527 /nfs/dbraw/zinc/59/05/27/503590527.db2.gz KCFWNYCJODIBAD-GDBMZVCRSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890203 503590532 /nfs/dbraw/zinc/59/05/32/503590532.db2.gz KCFWNYCJODIBAD-GDBMZVCRSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890203 503590535 /nfs/dbraw/zinc/59/05/35/503590535.db2.gz KCFWNYCJODIBAD-GDBMZVCRSA-N 2 1 355.320 3.490 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613473 503595339 /nfs/dbraw/zinc/59/53/39/503595339.db2.gz RUOQMTKDVMHWNU-NAVOZUGXSA-N 2 1 364.533 3.480 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000512614140 503595530 /nfs/dbraw/zinc/59/55/30/503595530.db2.gz UYHJVGNOFFZHKM-NJDAHSKKSA-N 2 1 351.494 3.481 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000504770082 503613864 /nfs/dbraw/zinc/61/38/64/503613864.db2.gz KPVHSZUYJFQSQU-UHFFFAOYSA-N 2 1 374.573 3.053 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000532913210 503654304 /nfs/dbraw/zinc/65/43/04/503654304.db2.gz MIHQBUHDMRMPAF-CEXWTWQISA-N 2 1 357.542 3.134 20 0 FGADMP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000532950924 503671758 /nfs/dbraw/zinc/67/17/58/503671758.db2.gz XSQJAKKZAHSHCW-QGZVFWFLSA-N 2 1 361.530 3.465 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117934 503674523 /nfs/dbraw/zinc/67/45/23/503674523.db2.gz GTADMUMFTPUELV-QPGLYAHGSA-N 2 1 361.505 3.104 20 0 FGADMP CCc1nc2ccccc2n1C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000517244386 503691508 /nfs/dbraw/zinc/69/15/08/503691508.db2.gz FLGSSLSIFHZUCR-MRXNPFEDSA-N 2 1 354.498 3.104 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCc3ccccc32)CC1)CC1CC1 ZINC000536736484 503704279 /nfs/dbraw/zinc/70/42/79/503704279.db2.gz OCCDFRYDNXHDKV-UHFFFAOYSA-N 2 1 369.553 3.410 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000543395048 503751495 /nfs/dbraw/zinc/75/14/95/503751495.db2.gz VDUCPUJRGITXEK-QFIPXVFZSA-N 2 1 362.477 3.409 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000543417086 503761824 /nfs/dbraw/zinc/76/18/24/503761824.db2.gz MHCXKAQTEDTOIU-IRLDBZIGSA-N 2 1 359.558 3.222 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541700 503767424 /nfs/dbraw/zinc/76/74/24/503767424.db2.gz QOOUNNPAJXJRMB-AZUAARDMSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000540504449 503795460 /nfs/dbraw/zinc/79/54/60/503795460.db2.gz FUYRPEAYDPEPRQ-UGKGYDQZSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000540504449 503795467 /nfs/dbraw/zinc/79/54/67/503795467.db2.gz FUYRPEAYDPEPRQ-UGKGYDQZSA-N 2 1 359.558 3.179 20 0 FGADMP C[C@@H](SCc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517652758 503797028 /nfs/dbraw/zinc/79/70/28/503797028.db2.gz YSYSLWANMOXHAD-MRXNPFEDSA-N 2 1 370.522 3.094 20 0 FGADMP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000540519740 503803378 /nfs/dbraw/zinc/80/33/78/503803378.db2.gz ABPADLPRIQCOPO-IBGZPJMESA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000540519740 503803383 /nfs/dbraw/zinc/80/33/83/503803383.db2.gz ABPADLPRIQCOPO-IBGZPJMESA-N 2 1 363.933 3.468 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000527510457 503817999 /nfs/dbraw/zinc/81/79/99/503817999.db2.gz SUALMLCXOWUXMS-UHFFFAOYSA-N 2 1 359.283 3.131 20 0 FGADMP CC(C[NH+]1CCC2(CCOCC2)[C@@H]1C)C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573910 503816064 /nfs/dbraw/zinc/81/60/64/503816064.db2.gz JQTROSQVHQKOTL-PMACEKPBSA-N 2 1 364.574 3.405 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000540593368 503826321 /nfs/dbraw/zinc/82/63/21/503826321.db2.gz HCCZPTFYUCJNFC-OAQYLSRUSA-N 2 1 357.542 3.450 20 0 FGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000540597053 503828947 /nfs/dbraw/zinc/82/89/47/503828947.db2.gz GLVJGTIBLNJRFZ-CVEARBPZSA-N 2 1 359.283 3.086 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000517891615 503859698 /nfs/dbraw/zinc/85/96/98/503859698.db2.gz UJDRIISRMVSLKH-FGZHOGPDSA-N 2 1 367.537 3.359 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527654206 503878146 /nfs/dbraw/zinc/87/81/46/503878146.db2.gz RVHSJVDSTXCXGJ-JTQLQIEISA-N 2 1 357.683 3.428 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CC2)CC1 ZINC000527702656 503903451 /nfs/dbraw/zinc/90/34/51/503903451.db2.gz GVDZUVIRTCGIPY-FCHUYYIVSA-N 2 1 369.553 3.135 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000543910047 503938404 /nfs/dbraw/zinc/93/84/04/503938404.db2.gz JIKVFFYJJBFWFW-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000518270999 503941321 /nfs/dbraw/zinc/94/13/21/503941321.db2.gz ZCQPLXDXDVAXFE-BQFCYCMXSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000518270999 503941323 /nfs/dbraw/zinc/94/13/23/503941323.db2.gz ZCQPLXDXDVAXFE-BQFCYCMXSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000518270999 503941325 /nfs/dbraw/zinc/94/13/25/503941325.db2.gz ZCQPLXDXDVAXFE-BQFCYCMXSA-N 2 1 366.575 3.159 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296865 503946411 /nfs/dbraw/zinc/94/64/11/503946411.db2.gz CNKJQPRGPINILT-ICSRJNTNSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296866 503946599 /nfs/dbraw/zinc/94/65/99/503946599.db2.gz CNKJQPRGPINILT-QUCCMNQESA-N 2 1 364.578 3.062 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527805444 503952481 /nfs/dbraw/zinc/95/24/81/503952481.db2.gz AIJOZQYNUCEAJG-JOCHJYFZSA-N 2 1 359.533 3.439 20 0 FGADMP CN(c1ccccc1CNC[C@@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000527805906 503953534 /nfs/dbraw/zinc/95/35/34/503953534.db2.gz IWJSLMGMPIMUFI-QFIPXVFZSA-N 2 1 370.585 3.324 20 0 FGADMP CN(c1ccccc1CNC[C@@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000527805906 503953537 /nfs/dbraw/zinc/95/35/37/503953537.db2.gz IWJSLMGMPIMUFI-QFIPXVFZSA-N 2 1 370.585 3.324 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000527812246 503955610 /nfs/dbraw/zinc/95/56/10/503955610.db2.gz VVDOVYWGOOFTCH-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000527812246 503955617 /nfs/dbraw/zinc/95/56/17/503955617.db2.gz VVDOVYWGOOFTCH-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362219 503963214 /nfs/dbraw/zinc/96/32/14/503963214.db2.gz KNSHSRYKPAAMRW-MJGOQNOKSA-N 2 1 368.949 3.175 20 0 FGADMP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(C)C ZINC000540988597 503966948 /nfs/dbraw/zinc/96/69/48/503966948.db2.gz NVVPSNVJZIYBGS-PWRODBHTSA-N 2 1 360.542 3.327 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540991597 503967750 /nfs/dbraw/zinc/96/77/50/503967750.db2.gz HMXMOEKJIDKPHI-UPKQVVFYSA-N 2 1 354.469 3.415 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000544003527 503968373 /nfs/dbraw/zinc/96/83/73/503968373.db2.gz NSUAHNCVAKFCEP-INIZCTEOSA-N 2 1 363.933 3.266 20 0 FGADMP O=C(CCCC[NH+]1CCOCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000530527764 503999263 /nfs/dbraw/zinc/99/92/63/503999263.db2.gz MRWFFEXEOUHCFE-UHFFFAOYSA-N 2 1 373.541 3.156 20 0 FGADMP C[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C[NH+](C)C ZINC000518584600 504021736 /nfs/dbraw/zinc/02/17/36/504021736.db2.gz HWSDHWLCWFACAH-SFHVURJKSA-N 2 1 353.510 3.246 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)[C@H](C)C1 ZINC000518597839 504023690 /nfs/dbraw/zinc/02/36/90/504023690.db2.gz RXKAGRGFTIDIAN-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[C@H](C)C1 ZINC000518597839 504023695 /nfs/dbraw/zinc/02/36/95/504023695.db2.gz RXKAGRGFTIDIAN-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[C@H](C)C1 ZINC000518597839 504023700 /nfs/dbraw/zinc/02/37/00/504023700.db2.gz RXKAGRGFTIDIAN-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@H](C)C1 ZINC000541176457 504032192 /nfs/dbraw/zinc/03/21/92/504032192.db2.gz CAGGGPQRTNCIFJ-WIYYLYMNSA-N 2 1 370.541 3.314 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1)CC1CC1 ZINC000537849810 504064484 /nfs/dbraw/zinc/06/44/84/504064484.db2.gz SUVYLCOBDDJUCN-OALUTQOASA-N 2 1 363.590 3.325 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367982 504079202 /nfs/dbraw/zinc/07/92/02/504079202.db2.gz GDMBWKSQKXQGEY-MSOLQXFVSA-N 2 1 371.525 3.019 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946346 504091475 /nfs/dbraw/zinc/09/14/75/504091475.db2.gz AREGZVCIQAKBGP-QZNHQXDQSA-N 2 1 373.585 3.406 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952498 504094775 /nfs/dbraw/zinc/09/47/75/504094775.db2.gz IDIWRWDVNMLYDT-GCJKJVERSA-N 2 1 370.541 3.314 20 0 FGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+](CC)CC ZINC000530820750 504096363 /nfs/dbraw/zinc/09/63/63/504096363.db2.gz RJOUEXAFPUVXSA-LZLYRXPVSA-N 2 1 351.560 3.368 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000537962203 504097460 /nfs/dbraw/zinc/09/74/60/504097460.db2.gz PHHHALOCAIHGRG-MRXNPFEDSA-N 2 1 369.347 3.471 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000537963108 504097521 /nfs/dbraw/zinc/09/75/21/504097521.db2.gz ZATUDMDDWNQHHQ-KYJSFNMBSA-N 2 1 358.448 3.176 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099601 /nfs/dbraw/zinc/09/96/01/504099601.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099607 /nfs/dbraw/zinc/09/96/07/504099607.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099611 /nfs/dbraw/zinc/09/96/11/504099611.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099615 /nfs/dbraw/zinc/09/96/15/504099615.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000537971271 504099619 /nfs/dbraw/zinc/09/96/19/504099619.db2.gz GNZDJRUNOKZWHV-CUDBPUKSSA-N 3 1 373.585 3.376 20 0 FGADMP CCc1cnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000544351981 504100158 /nfs/dbraw/zinc/10/01/58/504100158.db2.gz TUQPICNEICVARW-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP CCc1cnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000544351981 504100161 /nfs/dbraw/zinc/10/01/61/504100161.db2.gz TUQPICNEICVARW-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000544363721 504104240 /nfs/dbraw/zinc/10/42/40/504104240.db2.gz VZESNUABDQPISQ-UNMCSNQZSA-N 2 1 359.558 3.222 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000544363721 504104244 /nfs/dbraw/zinc/10/42/44/504104244.db2.gz VZESNUABDQPISQ-UNMCSNQZSA-N 2 1 359.558 3.222 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000530867079 504113183 /nfs/dbraw/zinc/11/31/83/504113183.db2.gz SRPBNJPEZCKBKY-KRWDZBQOSA-N 2 1 352.544 3.350 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439488 504135058 /nfs/dbraw/zinc/13/50/58/504135058.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@H](C[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439488 504135061 /nfs/dbraw/zinc/13/50/61/504135061.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@H](C[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439488 504135067 /nfs/dbraw/zinc/13/50/67/504135067.db2.gz ZJQADBUISRYAGV-NLNRRPOYSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000519156761 504153220 /nfs/dbraw/zinc/15/32/20/504153220.db2.gz LHHRGNKXGKYEDW-BVYCBKJFSA-N 2 1 369.553 3.135 20 0 FGADMP CS(=O)(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000538204969 504160682 /nfs/dbraw/zinc/16/06/82/504160682.db2.gz SKPHUYHZFOSBSK-VQTJNVASSA-N 2 1 364.555 3.118 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@H](C)O1 ZINC000528391653 504203457 /nfs/dbraw/zinc/20/34/57/504203457.db2.gz AGSHLBGQVFUWIK-HOTGVXAUSA-N 2 1 351.922 3.446 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2=CC[NH+](C)CC2)cc1 ZINC000538337080 504213350 /nfs/dbraw/zinc/21/33/50/504213350.db2.gz HOSUMZIDDDCQGE-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000538337080 504213355 /nfs/dbraw/zinc/21/33/55/504213355.db2.gz HOSUMZIDDDCQGE-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000538337080 504213362 /nfs/dbraw/zinc/21/33/62/504213362.db2.gz HOSUMZIDDDCQGE-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000538350930 504218022 /nfs/dbraw/zinc/21/80/22/504218022.db2.gz ORBXDPCINZYVKQ-UHFFFAOYSA-N 2 1 352.906 3.460 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000538350930 504218027 /nfs/dbraw/zinc/21/80/27/504218027.db2.gz ORBXDPCINZYVKQ-UHFFFAOYSA-N 2 1 352.906 3.460 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000538445822 504248437 /nfs/dbraw/zinc/24/84/37/504248437.db2.gz MNAWNVDHYODOLQ-SFHVURJKSA-N 2 1 350.890 3.249 20 0 FGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000519580952 504260947 /nfs/dbraw/zinc/26/09/47/504260947.db2.gz UCVOFGQCVPFZNO-AUSIDOKSSA-N 2 1 352.522 3.448 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc(-c4cccnc4)n[nH]3)C1)CCCC2 ZINC000548018296 504298772 /nfs/dbraw/zinc/29/87/72/504298772.db2.gz FYLIZJZBWLSADN-SFHVURJKSA-N 2 1 362.481 3.302 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc(-c4cccnc4)n[nH]3)C1)CCCC2 ZINC000548018296 504298778 /nfs/dbraw/zinc/29/87/78/504298778.db2.gz FYLIZJZBWLSADN-SFHVURJKSA-N 2 1 362.481 3.302 20 0 FGADMP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)CC2 ZINC000538649910 504315183 /nfs/dbraw/zinc/31/51/83/504315183.db2.gz MWYNLYFPOFPVKI-HXUWFJFHSA-N 2 1 373.516 3.267 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)CC2 ZINC000538649910 504315191 /nfs/dbraw/zinc/31/51/91/504315191.db2.gz MWYNLYFPOFPVKI-HXUWFJFHSA-N 2 1 373.516 3.267 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000538649910 504315196 /nfs/dbraw/zinc/31/51/96/504315196.db2.gz MWYNLYFPOFPVKI-HXUWFJFHSA-N 2 1 373.516 3.267 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000538649910 504315200 /nfs/dbraw/zinc/31/52/00/504315200.db2.gz MWYNLYFPOFPVKI-HXUWFJFHSA-N 2 1 373.516 3.267 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000519797206 504341996 /nfs/dbraw/zinc/34/19/96/504341996.db2.gz RJYPAACCUJLAOM-GGPKGHCWSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000519797206 504342000 /nfs/dbraw/zinc/34/20/00/504342000.db2.gz RJYPAACCUJLAOM-GGPKGHCWSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000519797206 504342004 /nfs/dbraw/zinc/34/20/04/504342004.db2.gz RJYPAACCUJLAOM-GGPKGHCWSA-N 2 1 360.546 3.067 20 0 FGADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000535146450 504355302 /nfs/dbraw/zinc/35/53/02/504355302.db2.gz DFHJIVMKFZLRIA-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C)O[C@@H](C)C2 ZINC000519910200 504381215 /nfs/dbraw/zinc/38/12/15/504381215.db2.gz JZWJBSMETRYJIO-INIZCTEOSA-N 2 1 370.493 3.249 20 0 FGADMP Cc1nc(C)c([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000531709563 504399591 /nfs/dbraw/zinc/39/95/91/504399591.db2.gz REFDYHODSSQNEU-QFBILLFUSA-N 2 1 358.555 3.399 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C(C)C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000520045354 504403514 /nfs/dbraw/zinc/40/35/14/504403514.db2.gz XOIYBZUUQGXKNZ-NRFANRHFSA-N 2 1 373.541 3.211 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093867 504410173 /nfs/dbraw/zinc/41/01/73/504410173.db2.gz FOHGHYPITHCQSR-HKUYNNGSSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093867 504410177 /nfs/dbraw/zinc/41/01/77/504410177.db2.gz FOHGHYPITHCQSR-HKUYNNGSSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093867 504410183 /nfs/dbraw/zinc/41/01/83/504410183.db2.gz FOHGHYPITHCQSR-HKUYNNGSSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000520146789 504419045 /nfs/dbraw/zinc/41/90/45/504419045.db2.gz GHCLKNAIIMFKDT-JOCHJYFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000520146789 504419050 /nfs/dbraw/zinc/41/90/50/504419050.db2.gz GHCLKNAIIMFKDT-JOCHJYFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000520146789 504419053 /nfs/dbraw/zinc/41/90/53/504419053.db2.gz GHCLKNAIIMFKDT-JOCHJYFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000520168866 504424097 /nfs/dbraw/zinc/42/40/97/504424097.db2.gz CJUKSLSSBDGSPK-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000520168866 504424104 /nfs/dbraw/zinc/42/41/04/504424104.db2.gz CJUKSLSSBDGSPK-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)(C)C ZINC000535426966 504433151 /nfs/dbraw/zinc/43/31/51/504433151.db2.gz HMRLSSATMACOPL-GBESFXJTSA-N 2 1 360.546 3.097 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000520231322 504441728 /nfs/dbraw/zinc/44/17/28/504441728.db2.gz UADLAJBPUMSRHT-GVDBMIGSSA-N 2 1 369.465 3.078 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000520231322 504441735 /nfs/dbraw/zinc/44/17/35/504441735.db2.gz UADLAJBPUMSRHT-GVDBMIGSSA-N 2 1 369.465 3.078 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2Cl)C[NH+]1CCCC1 ZINC000535506964 504454638 /nfs/dbraw/zinc/45/46/38/504454638.db2.gz FRHLNQLSKZKBGJ-LRDDRELGSA-N 2 1 373.722 3.136 20 0 FGADMP CN1C(=O)C[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312378 504463079 /nfs/dbraw/zinc/46/30/79/504463079.db2.gz JRDRIDSPSYXSFK-LSBZLQRGSA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312378 504463082 /nfs/dbraw/zinc/46/30/82/504463082.db2.gz JRDRIDSPSYXSFK-LSBZLQRGSA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312378 504463086 /nfs/dbraw/zinc/46/30/86/504463086.db2.gz JRDRIDSPSYXSFK-LSBZLQRGSA-N 2 1 367.896 3.215 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000520348478 504474360 /nfs/dbraw/zinc/47/43/60/504474360.db2.gz WWPQILZLHQMEMM-VTHDOGFWSA-N 2 1 355.526 3.173 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000520348478 504474364 /nfs/dbraw/zinc/47/43/64/504474364.db2.gz WWPQILZLHQMEMM-VTHDOGFWSA-N 2 1 355.526 3.173 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000520348478 504474367 /nfs/dbraw/zinc/47/43/67/504474367.db2.gz WWPQILZLHQMEMM-VTHDOGFWSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980383 504492950 /nfs/dbraw/zinc/49/29/50/504492950.db2.gz ITJGGPSNWBSCQX-IPYPFGDCSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980383 504492953 /nfs/dbraw/zinc/49/29/53/504492953.db2.gz ITJGGPSNWBSCQX-IPYPFGDCSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977621 504492986 /nfs/dbraw/zinc/49/29/86/504492986.db2.gz FSHBUOPPMXWDEA-ZYHUDNBSSA-N 2 1 350.816 3.238 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1)CC(C)C ZINC000539178539 504493611 /nfs/dbraw/zinc/49/36/11/504493611.db2.gz QEPLCGDAAXNDII-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657669 504497189 /nfs/dbraw/zinc/49/71/89/504497189.db2.gz DFAJHIYXWOEBRG-RCCFBDPRSA-N 2 1 351.922 3.322 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657669 504497192 /nfs/dbraw/zinc/49/71/92/504497192.db2.gz DFAJHIYXWOEBRG-RCCFBDPRSA-N 2 1 351.922 3.322 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000542472397 504504469 /nfs/dbraw/zinc/50/44/69/504504469.db2.gz KUWCCXNIELXZRH-YLJYHZDGSA-N 2 1 363.452 3.396 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000539294776 504522234 /nfs/dbraw/zinc/52/22/34/504522234.db2.gz GUNMWGJCFGRCHD-ICSRJNTNSA-N 2 1 361.917 3.076 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCOCC2(CCC2)C1)C1CC[NH+](C)CC1 ZINC000545557307 504525601 /nfs/dbraw/zinc/52/56/01/504525601.db2.gz HLLOQISKUCWWJE-UHFFFAOYSA-N 2 1 357.542 3.220 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000539320801 504528996 /nfs/dbraw/zinc/52/89/96/504528996.db2.gz YSUJJGLMWTWNIB-SJLPKXTDSA-N 2 1 352.906 3.380 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cn2ccccc2n1 ZINC000548713675 504537283 /nfs/dbraw/zinc/53/72/83/504537283.db2.gz ZYTRZYSKMDCDCU-KRWDZBQOSA-N 2 1 364.493 3.142 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)CC1 ZINC000539405339 504560155 /nfs/dbraw/zinc/56/01/55/504560155.db2.gz UPHZKOQMRRWEHU-IBGZPJMESA-N 2 1 370.566 3.410 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)CC1 ZINC000539405339 504560157 /nfs/dbraw/zinc/56/01/57/504560157.db2.gz UPHZKOQMRRWEHU-IBGZPJMESA-N 2 1 370.566 3.410 20 0 FGADMP CC(C)C[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539485804 504586929 /nfs/dbraw/zinc/58/69/29/504586929.db2.gz FRZFGUREXTYFOL-WIYYLYMNSA-N 2 1 372.557 3.313 20 0 FGADMP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542782950 504608178 /nfs/dbraw/zinc/60/81/78/504608178.db2.gz YQARWYXIVGQUBI-GOSISDBHSA-N 2 1 360.542 3.204 20 0 FGADMP C[N@@H+](CCN1CC[NH+](Cc2cccc3cccnc32)CC1)Cc1ccccc1 ZINC000520929641 504612063 /nfs/dbraw/zinc/61/20/63/504612063.db2.gz DBJQRDXSDKODBO-UHFFFAOYSA-N 2 1 374.532 3.484 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000545869791 504620496 /nfs/dbraw/zinc/62/04/96/504620496.db2.gz NPXMZVIFKPSDPB-IBGZPJMESA-N 2 1 370.541 3.261 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC1 ZINC000545869794 504620673 /nfs/dbraw/zinc/62/06/73/504620673.db2.gz NPXMZVIFKPSDPB-LJQANCHMSA-N 2 1 370.541 3.261 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000548980001 504643318 /nfs/dbraw/zinc/64/33/18/504643318.db2.gz AMXATXOGCZUMJC-IRXDYDNUSA-N 2 1 355.530 3.342 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1 ZINC000542964714 504675568 /nfs/dbraw/zinc/67/55/68/504675568.db2.gz MRKPUKHXZCDOFS-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)CN(Cc2ccco2)C(C)C)CC1 ZINC000521198587 504675732 /nfs/dbraw/zinc/67/57/32/504675732.db2.gz QGHILGHWZCUZCM-UHFFFAOYSA-N 2 1 369.509 3.143 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000521233521 504689325 /nfs/dbraw/zinc/68/93/25/504689325.db2.gz QKKRSRJKTSHWOC-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484353 504693885 /nfs/dbraw/zinc/69/38/85/504693885.db2.gz WSHDOCJEMHWCIG-VQIMIIECSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484353 504693887 /nfs/dbraw/zinc/69/38/87/504693887.db2.gz WSHDOCJEMHWCIG-VQIMIIECSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484353 504693889 /nfs/dbraw/zinc/69/38/89/504693889.db2.gz WSHDOCJEMHWCIG-VQIMIIECSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484353 504693890 /nfs/dbraw/zinc/69/38/90/504693890.db2.gz WSHDOCJEMHWCIG-VQIMIIECSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484353 504693892 /nfs/dbraw/zinc/69/38/92/504693892.db2.gz WSHDOCJEMHWCIG-VQIMIIECSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589542 504704434 /nfs/dbraw/zinc/70/44/34/504704434.db2.gz LFVMGXRBVVYADB-MJGOQNOKSA-N 2 1 356.514 3.304 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589542 504704440 /nfs/dbraw/zinc/70/44/40/504704440.db2.gz LFVMGXRBVVYADB-MJGOQNOKSA-N 2 1 356.514 3.304 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C\c2ccc(F)cc2)c2cccs2)CC1 ZINC000532671656 504731667 /nfs/dbraw/zinc/73/16/67/504731667.db2.gz VQEUHVJKIHOMOJ-GHMGLMHVSA-N 2 1 359.514 3.479 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3CCC3CCCC3)cn2)CC1 ZINC000539896003 504733843 /nfs/dbraw/zinc/73/38/43/504733843.db2.gz HFGVOVVPVRYLFE-HXUWFJFHSA-N 2 1 357.546 3.163 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3CCC3CCCC3)cn2)CC1 ZINC000539896003 504733846 /nfs/dbraw/zinc/73/38/46/504733846.db2.gz HFGVOVVPVRYLFE-HXUWFJFHSA-N 2 1 357.546 3.163 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000521487105 504746005 /nfs/dbraw/zinc/74/60/05/504746005.db2.gz VYXGAMJWPXZMHF-WOJBJXKFSA-N 2 1 369.509 3.443 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@]3(C)CCCO3)CC2)cs1 ZINC000556092976 504794944 /nfs/dbraw/zinc/79/49/44/504794944.db2.gz HPFNVGDALLMMKK-BEFAXECRSA-N 2 1 351.560 3.465 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](c2nccn2C)C(F)(F)F)C1 ZINC000552997147 504801303 /nfs/dbraw/zinc/80/13/03/504801303.db2.gz YMYADSBEXQEMSI-LSDHHAIUSA-N 2 1 374.451 3.084 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)C1 ZINC000552997145 504801443 /nfs/dbraw/zinc/80/14/43/504801443.db2.gz YMYADSBEXQEMSI-GJZGRUSLSA-N 2 1 374.451 3.084 20 0 FGADMP COc1ccc(F)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000559245184 504806730 /nfs/dbraw/zinc/80/67/30/504806730.db2.gz UNMLQDYGBYNILI-QFIPXVFZSA-N 2 1 371.500 3.303 20 0 FGADMP CCc1ccc(O)c(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000553164502 504842082 /nfs/dbraw/zinc/84/20/82/504842082.db2.gz SYUBIAGLVBXZOU-UHFFFAOYSA-N 2 1 359.514 3.089 20 0 FGADMP Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)c2c1C ZINC000549604641 504857828 /nfs/dbraw/zinc/85/78/28/504857828.db2.gz ZICRCCZPDLGOEB-OKILXGFUSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)c2c1C ZINC000549604641 504857829 /nfs/dbraw/zinc/85/78/29/504857829.db2.gz ZICRCCZPDLGOEB-OKILXGFUSA-N 2 1 373.570 3.433 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750987 504887977 /nfs/dbraw/zinc/88/79/77/504887977.db2.gz PRLICOOXNFHFDP-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549750987 504887982 /nfs/dbraw/zinc/88/79/82/504887982.db2.gz PRLICOOXNFHFDP-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549750987 504887986 /nfs/dbraw/zinc/88/79/86/504887986.db2.gz PRLICOOXNFHFDP-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549771318 504893810 /nfs/dbraw/zinc/89/38/10/504893810.db2.gz JQFWOLGVXFYBDO-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391827 504902263 /nfs/dbraw/zinc/90/22/63/504902263.db2.gz JQFDODVUKMNDCA-FGZHOGPDSA-N 2 1 365.521 3.236 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@]4(C3)CCC[NH+](C)C4)CC2)c1 ZINC000549840428 504912658 /nfs/dbraw/zinc/91/26/58/504912658.db2.gz XWQBTHMEZGAGFZ-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000549840428 504912662 /nfs/dbraw/zinc/91/26/62/504912662.db2.gz XWQBTHMEZGAGFZ-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000549840428 504912666 /nfs/dbraw/zinc/91/26/66/504912666.db2.gz XWQBTHMEZGAGFZ-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP C[C@@H](CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000553770717 505005036 /nfs/dbraw/zinc/00/50/36/505005036.db2.gz WBAPEGYHLCWJNO-ROUUACIJSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000553770717 505005039 /nfs/dbraw/zinc/00/50/39/505005039.db2.gz WBAPEGYHLCWJNO-ROUUACIJSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000553770717 505005043 /nfs/dbraw/zinc/00/50/43/505005043.db2.gz WBAPEGYHLCWJNO-ROUUACIJSA-N 2 1 364.534 3.006 20 0 FGADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556885993 505007067 /nfs/dbraw/zinc/00/70/67/505007067.db2.gz KDNUJPUOQOXSOO-SLFFLAALSA-N 2 1 357.542 3.039 20 0 FGADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184332 505014122 /nfs/dbraw/zinc/01/41/22/505014122.db2.gz QJPIIWNVINYYLH-CGXNFDGLSA-N 2 1 350.547 3.444 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000550326314 505022838 /nfs/dbraw/zinc/02/28/38/505022838.db2.gz YSMXJOOHKIGCPW-NDYOWHOSSA-N 2 1 368.525 3.244 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@H]1n1cccn1 ZINC000550326314 505022843 /nfs/dbraw/zinc/02/28/43/505022843.db2.gz YSMXJOOHKIGCPW-NDYOWHOSSA-N 2 1 368.525 3.244 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)CC1 ZINC000560265080 505033555 /nfs/dbraw/zinc/03/35/55/505033555.db2.gz DGCKGDCGJUNROJ-FGZHOGPDSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000557038904 505050504 /nfs/dbraw/zinc/05/05/04/505050504.db2.gz OSLFCTQIUXBWLD-AWEZNQCLSA-N 2 1 362.493 3.103 20 0 FGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000550664820 505081262 /nfs/dbraw/zinc/08/12/62/505081262.db2.gz YEXSPGOCZOGPSA-KRWDZBQOSA-N 2 1 372.431 3.314 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000557272632 505102872 /nfs/dbraw/zinc/10/28/72/505102872.db2.gz CLCWLFBFONJOPI-WTNAPCKOSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000557272632 505102875 /nfs/dbraw/zinc/10/28/75/505102875.db2.gz CLCWLFBFONJOPI-WTNAPCKOSA-N 2 1 356.485 3.229 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795577 505102999 /nfs/dbraw/zinc/10/29/99/505102999.db2.gz HZBKYTBDDLSNLB-HKBOAZHASA-N 2 1 367.541 3.122 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795577 505103002 /nfs/dbraw/zinc/10/30/02/505103002.db2.gz HZBKYTBDDLSNLB-HKBOAZHASA-N 2 1 367.541 3.122 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000566217030 505113960 /nfs/dbraw/zinc/11/39/60/505113960.db2.gz KMDBPPAQGHTKAH-FGZHOGPDSA-N 2 1 350.506 3.377 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000566217030 505113963 /nfs/dbraw/zinc/11/39/63/505113963.db2.gz KMDBPPAQGHTKAH-FGZHOGPDSA-N 2 1 350.506 3.377 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@H]21 ZINC000560530245 505116176 /nfs/dbraw/zinc/11/61/76/505116176.db2.gz PGQIAXOUHYTHJY-DARAHFNDSA-N 2 1 373.324 3.196 20 0 FGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000566230598 505119753 /nfs/dbraw/zinc/11/97/53/505119753.db2.gz INAUHNALLQIITH-ROQCDXFCSA-N 2 1 369.553 3.077 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000551201573 505176740 /nfs/dbraw/zinc/17/67/40/505176740.db2.gz VYMBOHULTWBKRS-ACRUOGEOSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000551201573 505176743 /nfs/dbraw/zinc/17/67/43/505176743.db2.gz VYMBOHULTWBKRS-ACRUOGEOSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H](n2cncn2)C1 ZINC000551268107 505189822 /nfs/dbraw/zinc/18/98/22/505189822.db2.gz ZTLFIICZGKVRHE-JRGCBEDISA-N 2 1 353.514 3.046 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H](n2cncn2)C1 ZINC000551268107 505189824 /nfs/dbraw/zinc/18/98/24/505189824.db2.gz ZTLFIICZGKVRHE-JRGCBEDISA-N 2 1 353.514 3.046 20 0 FGADMP CC(C)CN(C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000563658148 505203101 /nfs/dbraw/zinc/20/31/01/505203101.db2.gz UQMDPASJKRYTKP-LEWJYISDSA-N 2 1 369.553 3.087 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000563680607 505209572 /nfs/dbraw/zinc/20/95/72/505209572.db2.gz AQIJVTXSSOIFHL-RXGLGVBBSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000563680607 505209575 /nfs/dbraw/zinc/20/95/75/505209575.db2.gz AQIJVTXSSOIFHL-RXGLGVBBSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000563680607 505209578 /nfs/dbraw/zinc/20/95/78/505209578.db2.gz AQIJVTXSSOIFHL-RXGLGVBBSA-N 2 1 364.574 3.017 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000557837351 505243378 /nfs/dbraw/zinc/24/33/78/505243378.db2.gz LCZSKTXHWBXERF-DYESRHJHSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000557837351 505243382 /nfs/dbraw/zinc/24/33/82/505243382.db2.gz LCZSKTXHWBXERF-DYESRHJHSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837351 505243385 /nfs/dbraw/zinc/24/33/85/505243385.db2.gz LCZSKTXHWBXERF-DYESRHJHSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837351 505243390 /nfs/dbraw/zinc/24/33/90/505243390.db2.gz LCZSKTXHWBXERF-DYESRHJHSA-N 2 1 373.516 3.123 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557853187 505245840 /nfs/dbraw/zinc/24/58/40/505245840.db2.gz YFOISFJQUJZIKA-QRVBRYPASA-N 2 1 364.578 3.155 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566917277 505311023 /nfs/dbraw/zinc/31/10/23/505311023.db2.gz CHLBQRXLOFBDKL-QFIPXVFZSA-N 2 1 372.557 3.215 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000567006207 505336350 /nfs/dbraw/zinc/33/63/50/505336350.db2.gz FLLWQHBPFCDEJE-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000567006207 505336356 /nfs/dbraw/zinc/33/63/56/505336356.db2.gz FLLWQHBPFCDEJE-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000567006207 505336361 /nfs/dbraw/zinc/33/63/61/505336361.db2.gz FLLWQHBPFCDEJE-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)[C@@H]2C1 ZINC000564153475 505339036 /nfs/dbraw/zinc/33/90/36/505339036.db2.gz UTHYMFFADPVSDJ-SZLKJRAXSA-N 2 1 366.509 3.478 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551977807 505359872 /nfs/dbraw/zinc/35/98/72/505359872.db2.gz CLORNFWHVNWAQU-UHFFFAOYSA-N 2 1 362.514 3.181 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552034050 505376476 /nfs/dbraw/zinc/37/64/76/505376476.db2.gz BEKLFWGRXZZZPI-INIZCTEOSA-N 2 1 353.466 3.190 20 0 FGADMP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552056634 505383547 /nfs/dbraw/zinc/38/35/47/505383547.db2.gz MHSPAPPUPFODCL-FVOUEADFSA-N 2 1 372.553 3.197 20 0 FGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000564324940 505384394 /nfs/dbraw/zinc/38/43/94/505384394.db2.gz MNOUPSKQTVFOBR-LEWJYISDSA-N 2 1 365.521 3.493 20 0 FGADMP FC(F)(F)CCN1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000561591507 505385193 /nfs/dbraw/zinc/38/51/93/505385193.db2.gz XICAMCCLJLLMJK-UHFFFAOYSA-N 2 1 369.475 3.441 20 0 FGADMP FC(F)(F)CCN1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000561591507 505385195 /nfs/dbraw/zinc/38/51/95/505385195.db2.gz XICAMCCLJLLMJK-UHFFFAOYSA-N 2 1 369.475 3.441 20 0 FGADMP CN(C)c1nccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000552063974 505388178 /nfs/dbraw/zinc/38/81/78/505388178.db2.gz UBPNAOXJSJUDDQ-UHFFFAOYSA-N 2 1 353.514 3.075 20 0 FGADMP C/C=C\c1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690107 505537865 /nfs/dbraw/zinc/53/78/65/505537865.db2.gz YLMMCCHXXXNWQY-GCYVJDTOSA-N 2 1 374.525 3.073 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000562240366 505549521 /nfs/dbraw/zinc/54/95/21/505549521.db2.gz BLMMEOJNDCQTCI-NRFANRHFSA-N 2 1 374.573 3.318 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000562240366 505549525 /nfs/dbraw/zinc/54/95/25/505549525.db2.gz BLMMEOJNDCQTCI-NRFANRHFSA-N 2 1 374.573 3.318 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000562240366 505549528 /nfs/dbraw/zinc/54/95/28/505549528.db2.gz BLMMEOJNDCQTCI-NRFANRHFSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552780149 505553345 /nfs/dbraw/zinc/55/33/45/505553345.db2.gz ZNXTYTOLHDZOGX-FGTMMUONSA-N 2 1 373.541 3.037 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000567851337 505568215 /nfs/dbraw/zinc/56/82/15/505568215.db2.gz ALYXVUVHQWJTTJ-LEWJYISDSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000567851337 505568216 /nfs/dbraw/zinc/56/82/16/505568216.db2.gz ALYXVUVHQWJTTJ-LEWJYISDSA-N 2 1 358.526 3.216 20 0 FGADMP CCOc1cc(C[N@H+](C)CCC[NH3+])cc(Br)c1OC(F)F ZINC000567864777 505569121 /nfs/dbraw/zinc/56/91/21/505569121.db2.gz PHNKWQSBGMXWPY-UHFFFAOYSA-N 2 1 367.234 3.230 20 0 FGADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])cc(Br)c1OC(F)F ZINC000567864777 505569122 /nfs/dbraw/zinc/56/91/22/505569122.db2.gz PHNKWQSBGMXWPY-UHFFFAOYSA-N 2 1 367.234 3.230 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000599312617 506406802 /nfs/dbraw/zinc/40/68/02/506406802.db2.gz QCNQBMVRUVSNBW-LJQANCHMSA-N 2 1 357.542 3.062 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000599312617 506406808 /nfs/dbraw/zinc/40/68/08/506406808.db2.gz QCNQBMVRUVSNBW-LJQANCHMSA-N 2 1 357.542 3.062 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217237 506488885 /nfs/dbraw/zinc/48/88/85/506488885.db2.gz DTADQHCYEUZDIX-UYAOXDASSA-N 2 1 360.546 3.161 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000589220845 506490923 /nfs/dbraw/zinc/49/09/23/506490923.db2.gz XXASLXMETAPFOX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000589220845 506490929 /nfs/dbraw/zinc/49/09/29/506490929.db2.gz XXASLXMETAPFOX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000589220845 506490932 /nfs/dbraw/zinc/49/09/32/506490932.db2.gz XXASLXMETAPFOX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2)C1 ZINC000608500656 506587720 /nfs/dbraw/zinc/58/77/20/506587720.db2.gz QGKVMERACPHEFG-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@H+](C)C3CCC3)cc2)C1 ZINC000608500656 506587726 /nfs/dbraw/zinc/58/77/26/506587726.db2.gz QGKVMERACPHEFG-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)C1 ZINC000608500656 506587732 /nfs/dbraw/zinc/58/77/32/506587732.db2.gz QGKVMERACPHEFG-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589770610 506645830 /nfs/dbraw/zinc/64/58/30/506645830.db2.gz BJSMNKOOPULENL-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CC[NH+](Cc1cccc(C[N@@H+](CC)C[C@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000604052044 506698624 /nfs/dbraw/zinc/69/86/24/506698624.db2.gz DVICPEWTZNYMJT-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1cccc(C[N@H+](CC)C[C@@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000604052044 506698630 /nfs/dbraw/zinc/69/86/30/506698630.db2.gz DVICPEWTZNYMJT-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1cccc(C[N@@H+](CC)C[C@@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000604052044 506698635 /nfs/dbraw/zinc/69/86/35/506698635.db2.gz DVICPEWTZNYMJT-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[N@@H+](CC(=O)N1CCc2ccccc21)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999639 506701756 /nfs/dbraw/zinc/70/17/56/506701756.db2.gz PLZAQJLTXSHCJD-UHFFFAOYSA-N 2 1 351.494 3.159 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1F ZINC000597047937 506748998 /nfs/dbraw/zinc/74/89/98/506748998.db2.gz SEZOCGIZQLUKHC-IYBDPMFKSA-N 2 1 350.478 3.460 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583696139 506921803 /nfs/dbraw/zinc/92/18/03/506921803.db2.gz GPRZJARIACDZFS-QGZVFWFLSA-N 2 1 355.526 3.407 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)c2cc1C ZINC000590786360 506955345 /nfs/dbraw/zinc/95/53/45/506955345.db2.gz TYYSUCZRDJRRJJ-HXUWFJFHSA-N 2 1 372.557 3.066 20 0 FGADMP COc1ccc([C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000583806401 506983444 /nfs/dbraw/zinc/98/34/44/506983444.db2.gz CBAFNFSLJHGGFJ-OTGCGEFBSA-N 2 1 370.497 3.496 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000613260323 506998750 /nfs/dbraw/zinc/99/87/50/506998750.db2.gz PVKLZAJIERPUOW-JOCHJYFZSA-N 2 1 361.574 3.473 20 0 FGADMP Oc1cccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000583885119 507029677 /nfs/dbraw/zinc/02/96/77/507029677.db2.gz AXAOOFWUQUHVPD-NRFANRHFSA-N 2 1 366.505 3.411 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000591096977 507113593 /nfs/dbraw/zinc/11/35/93/507113593.db2.gz PCSJLSVEWVHIFT-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000591096977 507113601 /nfs/dbraw/zinc/11/36/01/507113601.db2.gz PCSJLSVEWVHIFT-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000591096977 507113606 /nfs/dbraw/zinc/11/36/06/507113606.db2.gz PCSJLSVEWVHIFT-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152296 507135178 /nfs/dbraw/zinc/13/51/78/507135178.db2.gz JOZSUVVZZDNSOQ-NHCUHLMSSA-N 2 1 357.542 3.450 20 0 FGADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000600840002 507142454 /nfs/dbraw/zinc/14/24/54/507142454.db2.gz CBEXBYMBNDMFHO-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000584086362 507142860 /nfs/dbraw/zinc/14/28/60/507142860.db2.gz GCLNAZMFTHYNPQ-IBGZPJMESA-N 2 1 374.573 3.379 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000600840001 507143419 /nfs/dbraw/zinc/14/34/19/507143419.db2.gz CBEXBYMBNDMFHO-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000591175704 507144724 /nfs/dbraw/zinc/14/47/24/507144724.db2.gz AQRGMWQTIRXWDU-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP O=C(CCN[C@H]1CC[N@H+]2CCCC[C@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167503 507190552 /nfs/dbraw/zinc/19/05/52/507190552.db2.gz OQTFAGJXRWMFMX-JKSUJKDBSA-N 2 1 355.404 3.250 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167503 507190560 /nfs/dbraw/zinc/19/05/60/507190560.db2.gz OQTFAGJXRWMFMX-JKSUJKDBSA-N 2 1 355.404 3.250 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410096 507239832 /nfs/dbraw/zinc/23/98/32/507239832.db2.gz FDKYFOFIKCGYIY-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410096 507239839 /nfs/dbraw/zinc/23/98/39/507239839.db2.gz FDKYFOFIKCGYIY-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410096 507239845 /nfs/dbraw/zinc/23/98/45/507239845.db2.gz FDKYFOFIKCGYIY-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000591445049 507252493 /nfs/dbraw/zinc/25/24/93/507252493.db2.gz AWWPNQRCUPILPD-HNNXBMFYSA-N 2 1 372.340 3.225 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000605877296 507289981 /nfs/dbraw/zinc/28/99/81/507289981.db2.gz AZJDLYYQJJBDRS-ICSRJNTNSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000605877296 507289984 /nfs/dbraw/zinc/28/99/84/507289984.db2.gz AZJDLYYQJJBDRS-ICSRJNTNSA-N 2 1 374.573 3.269 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCc2ccc(I)cc21 ZINC000595013965 507354471 /nfs/dbraw/zinc/35/44/71/507354471.db2.gz KSIDLNOASOQWLE-OAHLLOKOSA-N 2 1 367.234 3.073 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595016807 507355032 /nfs/dbraw/zinc/35/50/32/507355032.db2.gz XNOAJELIAMWIKK-BLLLJJGKSA-N 2 1 370.278 3.210 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@](C)(C[NH3+])C2)C1 ZINC000584458674 507357141 /nfs/dbraw/zinc/35/71/41/507357141.db2.gz AXDGTDXZYWGBDH-KGVIQGDOSA-N 2 1 372.557 3.045 20 0 FGADMP O=C(Nc1ccccc1Nc1cc[nH+]cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000614255007 507430316 /nfs/dbraw/zinc/43/03/16/507430316.db2.gz NMUGIIQZTXERIM-UHFFFAOYSA-N 2 1 363.421 3.083 20 0 FGADMP FC(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584689550 507450658 /nfs/dbraw/zinc/45/06/58/507450658.db2.gz SISIXARYDKRXIK-IRXDYDNUSA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584689550 507450666 /nfs/dbraw/zinc/45/06/66/507450666.db2.gz SISIXARYDKRXIK-IRXDYDNUSA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584689550 507450671 /nfs/dbraw/zinc/45/06/71/507450671.db2.gz SISIXARYDKRXIK-IRXDYDNUSA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584689550 507450677 /nfs/dbraw/zinc/45/06/77/507450677.db2.gz SISIXARYDKRXIK-IRXDYDNUSA-N 2 1 374.422 3.357 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3cc(C(=O)OC)ccc3[nH]2)CC1 ZINC000595293282 507451302 /nfs/dbraw/zinc/45/13/02/507451302.db2.gz JBMQKGNSGQYIKH-UHFFFAOYSA-N 2 1 372.513 3.293 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3cc(C(=O)OC)ccc3[nH]2)CC1 ZINC000595293282 507451310 /nfs/dbraw/zinc/45/13/10/507451310.db2.gz JBMQKGNSGQYIKH-UHFFFAOYSA-N 2 1 372.513 3.293 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000607125425 507623235 /nfs/dbraw/zinc/62/32/35/507623235.db2.gz PMDXCFWVUACQKA-NQIIRXRSSA-N 2 1 357.542 3.230 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000592404432 507643038 /nfs/dbraw/zinc/64/30/38/507643038.db2.gz SPCOWGPUOBCIMV-HCXYKTFWSA-N 2 1 368.562 3.223 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175901 507645633 /nfs/dbraw/zinc/64/56/33/507645633.db2.gz ZCKMJSKRBYWENB-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175901 507645638 /nfs/dbraw/zinc/64/56/38/507645638.db2.gz ZCKMJSKRBYWENB-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175901 507645645 /nfs/dbraw/zinc/64/56/45/507645645.db2.gz ZCKMJSKRBYWENB-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433663 507656419 /nfs/dbraw/zinc/65/64/19/507656419.db2.gz OFTNTHRUZKCPDQ-VQTJNVASSA-N 2 1 374.525 3.067 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000595825831 507701722 /nfs/dbraw/zinc/70/17/22/507701722.db2.gz JSCICDKNUQZGRR-PMACEKPBSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1c(NC[C@H]2CC[NH+]2C(C)(C)C)ncnc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000630095185 522615373 /nfs/dbraw/zinc/61/53/73/522615373.db2.gz VPRUDMBMYSRSBL-IAGOWNOFSA-N 2 1 374.577 3.354 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123977 568082472 /nfs/dbraw/zinc/08/24/72/568082472.db2.gz LDCPSUMZFIXVCN-FCEUIQTBSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123977 568082473 /nfs/dbraw/zinc/08/24/73/568082473.db2.gz LDCPSUMZFIXVCN-FCEUIQTBSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123977 568082474 /nfs/dbraw/zinc/08/24/74/568082474.db2.gz LDCPSUMZFIXVCN-FCEUIQTBSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820665240 606203863 /nfs/dbraw/zinc/20/38/63/606203863.db2.gz FEPWSLJPJNFDDG-JXFKEZNVSA-N 2 1 362.481 3.009 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820665240 606203864 /nfs/dbraw/zinc/20/38/64/606203864.db2.gz FEPWSLJPJNFDDG-JXFKEZNVSA-N 2 1 362.481 3.009 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000120798479 700660147 /nfs/dbraw/zinc/66/01/47/700660147.db2.gz HUTLIRYEDRDRPH-UONOGXRCSA-N 2 1 357.420 3.354 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000122142623 700685006 /nfs/dbraw/zinc/68/50/06/700685006.db2.gz LXXLCOBIWDFPEZ-FQEVSTJZSA-N 2 1 368.949 3.444 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760933 705198501 /nfs/dbraw/zinc/19/85/01/705198501.db2.gz JTHSWZXYSMUMPX-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760933 705198506 /nfs/dbraw/zinc/19/85/06/705198506.db2.gz JTHSWZXYSMUMPX-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760933 705198511 /nfs/dbraw/zinc/19/85/11/705198511.db2.gz JTHSWZXYSMUMPX-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166632687 705345633 /nfs/dbraw/zinc/34/56/33/705345633.db2.gz WFGBJSPQODZEJD-OWCLPIDISA-N 2 1 351.441 3.083 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177248956 705615025 /nfs/dbraw/zinc/61/50/25/705615025.db2.gz CTAJFBQTJFNNSL-BRWVUGGUSA-N 2 1 353.551 3.342 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000177323005 705617687 /nfs/dbraw/zinc/61/76/87/705617687.db2.gz NPWADNQPYVEGMG-KURKYZTESA-N 2 1 351.535 3.192 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000182461740 705844127 /nfs/dbraw/zinc/84/41/27/705844127.db2.gz QJSKXBKIULMVEC-NSHDSACASA-N 2 1 352.276 3.394 20 0 FGADMP CC(C)[C@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000195188477 713548547 /nfs/dbraw/zinc/54/85/47/713548547.db2.gz LVIKBLASHMEEGY-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP C#CCOc1ccc(Br)cc1CNCCC[N@H+](C)C(C)C ZINC000221789021 713569643 /nfs/dbraw/zinc/56/96/43/713569643.db2.gz BBGPPMZXESARNL-UHFFFAOYSA-N 2 1 353.304 3.281 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000261897190 713715796 /nfs/dbraw/zinc/71/57/96/713715796.db2.gz OKOROYYWISMVAE-OSAQELSMSA-N 2 1 356.297 3.381 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955065 713716463 /nfs/dbraw/zinc/71/64/63/713716463.db2.gz OOKQXYYAKMGISX-JTDSTZFVSA-N 2 1 363.933 3.024 20 0 FGADMP CO[C@@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374917223 713953348 /nfs/dbraw/zinc/95/33/48/713953348.db2.gz RDDOSCTYGRCZFJ-JXFKEZNVSA-N 2 1 365.949 3.128 20 0 FGADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000419003678 714010632 /nfs/dbraw/zinc/01/06/32/714010632.db2.gz NMRHDUAWZWMZGO-CHWSQXEVSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000419003678 714010636 /nfs/dbraw/zinc/01/06/36/714010636.db2.gz NMRHDUAWZWMZGO-CHWSQXEVSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523910246 714258411 /nfs/dbraw/zinc/25/84/11/714258411.db2.gz GKQDXGJBNNMIHC-QZTJIDSGSA-N 2 1 354.583 3.307 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000523911724 714258485 /nfs/dbraw/zinc/25/84/85/714258485.db2.gz QBRNXYPEMFEPMA-GOSISDBHSA-N 2 1 354.583 3.115 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@H](C)C1 ZINC000525858847 714384233 /nfs/dbraw/zinc/38/42/33/714384233.db2.gz RLYSRQASKILPHA-AYOQOUSVSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(F)cc32)[C@H](C)C1 ZINC000525858847 714384235 /nfs/dbraw/zinc/38/42/35/714384235.db2.gz RLYSRQASKILPHA-AYOQOUSVSA-N 2 1 350.478 3.376 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000579822737 714498666 /nfs/dbraw/zinc/49/86/66/714498666.db2.gz OIPRTODNFOLHQG-VAMGGRTRSA-N 2 1 364.555 3.059 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000615672310 714543857 /nfs/dbraw/zinc/54/38/57/714543857.db2.gz UBNMRRUGZTYSHR-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+](CCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000618942658 714789775 /nfs/dbraw/zinc/78/97/75/714789775.db2.gz RADXJTIPDLOZQT-HDICACEKSA-N 2 1 354.583 3.161 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000623086317 715162321 /nfs/dbraw/zinc/16/23/21/715162321.db2.gz JTIYROJGEUMNOZ-UHFFFAOYSA-N 2 1 360.202 3.116 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH+]ccc1N ZINC000643455596 718034951 /nfs/dbraw/zinc/03/49/51/718034951.db2.gz ZNLXHFARBSSTOS-OCCSQVGLSA-N 2 1 350.388 3.442 20 0 FGADMP Brc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H]2CCCO2)cc1 ZINC000643521275 718037545 /nfs/dbraw/zinc/03/75/45/718037545.db2.gz HWUHSLPEYGIMIP-IXDOHACOSA-N 2 1 353.304 3.401 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347617 715315986 /nfs/dbraw/zinc/31/59/86/715315986.db2.gz GAWPEOLFFCIQBC-QFBILLFUSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1(C)C ZINC000623363397 715319208 /nfs/dbraw/zinc/31/92/08/715319208.db2.gz RHIMWHOVEYZZEH-QGZVFWFLSA-N 2 1 351.485 3.392 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478623 715344313 /nfs/dbraw/zinc/34/43/13/715344313.db2.gz RZXUCKONRWXZEY-QWHCGFSZSA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478623 715344320 /nfs/dbraw/zinc/34/43/20/715344320.db2.gz RZXUCKONRWXZEY-QWHCGFSZSA-N 2 1 353.869 3.047 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(C(F)(F)F)c2)CC1 ZINC000624549114 715554505 /nfs/dbraw/zinc/55/45/05/715554505.db2.gz KTGLYSVTLDUZLL-UHFFFAOYSA-N 2 1 370.400 3.166 20 0 FGADMP C[NH2+]CCOCC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000629529877 716303651 /nfs/dbraw/zinc/30/36/51/716303651.db2.gz PAKZCGGYRDJGJJ-SFHVURJKSA-N 2 1 363.299 3.364 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000629581600 716311728 /nfs/dbraw/zinc/31/17/28/716311728.db2.gz BZHKGVVKFDYAID-PWIZWCRZSA-N 2 1 360.885 3.199 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](n2ccnc2)C(F)(F)F)C1 ZINC000635324980 717161833 /nfs/dbraw/zinc/16/18/33/717161833.db2.gz KQQSKGKDAFZLBU-GJZGRUSLSA-N 2 1 360.424 3.005 20 0 FGADMP Cc1ccc(CNC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000637908932 717389211 /nfs/dbraw/zinc/38/92/11/717389211.db2.gz DHNBTVDOWZXYBJ-UHFFFAOYSA-N 2 1 357.523 3.056 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)cc(Cl)c3N)CC2)CC1 ZINC000639169687 717527447 /nfs/dbraw/zinc/52/74/47/717527447.db2.gz IJDNNWDHDWUQNZ-UHFFFAOYSA-N 2 1 371.356 3.035 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530370 717759732 /nfs/dbraw/zinc/75/97/32/717759732.db2.gz DFYQPMNNHORDKY-OAHLLOKOSA-N 2 1 353.457 3.490 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530370 717759738 /nfs/dbraw/zinc/75/97/38/717759738.db2.gz DFYQPMNNHORDKY-OAHLLOKOSA-N 2 1 353.457 3.490 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568508 717767562 /nfs/dbraw/zinc/76/75/62/717767562.db2.gz SECDTDHWWBFOTH-IAGOWNOFSA-N 2 1 355.404 3.096 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000644585922 718129022 /nfs/dbraw/zinc/12/90/22/718129022.db2.gz JPUNJCSHDLOOFP-KZNAEPCWSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000644585922 718129024 /nfs/dbraw/zinc/12/90/24/718129024.db2.gz JPUNJCSHDLOOFP-KZNAEPCWSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669072 718140159 /nfs/dbraw/zinc/14/01/59/718140159.db2.gz AKZVQTJFYPGQKL-KGLIPLIRSA-N 2 1 361.313 3.055 20 0 FGADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498895 718364379 /nfs/dbraw/zinc/36/43/79/718364379.db2.gz STYHDHCBHGYELQ-YOEHRIQHSA-N 2 1 363.303 3.194 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498895 718364381 /nfs/dbraw/zinc/36/43/81/718364381.db2.gz STYHDHCBHGYELQ-YOEHRIQHSA-N 2 1 363.303 3.194 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978031 718391722 /nfs/dbraw/zinc/39/17/22/718391722.db2.gz LLLDLGNLQCEKJA-GJZGRUSLSA-N 2 1 351.441 3.005 20 0 FGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000648896192 718457765 /nfs/dbraw/zinc/45/77/65/718457765.db2.gz UCMFARBWANQEOF-RHSMWYFYSA-N 2 1 362.905 3.469 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649295527 718502403 /nfs/dbraw/zinc/50/24/03/718502403.db2.gz UIUGGZAMVHCXSE-DAYGRLMNSA-N 2 1 351.922 3.214 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705363 718716606 /nfs/dbraw/zinc/71/66/06/718716606.db2.gz FKGVDJNUOKZWAV-UXLLHSPISA-N 2 1 368.905 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706547 718717773 /nfs/dbraw/zinc/71/77/73/718717773.db2.gz NGIWJTARYGSDOU-UXLLHSPISA-N 2 1 358.404 3.304 20 0 FGADMP C[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1CC[NH3+] ZINC000650712085 718718751 /nfs/dbraw/zinc/71/87/51/718718751.db2.gz PXFFDJPBAZMNCD-XJKSGUPXSA-N 2 1 359.495 3.488 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@@H]1CC[NH3+] ZINC000650712085 718718752 /nfs/dbraw/zinc/71/87/52/718718752.db2.gz PXFFDJPBAZMNCD-XJKSGUPXSA-N 2 1 359.495 3.488 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722063 718719898 /nfs/dbraw/zinc/71/98/98/718719898.db2.gz JVWJQQYANHGXRQ-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722063 718719902 /nfs/dbraw/zinc/71/99/02/718719902.db2.gz JVWJQQYANHGXRQ-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347788 718934879 /nfs/dbraw/zinc/93/48/79/718934879.db2.gz LTCZYQFQHYVKST-CBBWQLFWSA-N 2 1 362.499 3.077 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349260 718935248 /nfs/dbraw/zinc/93/52/48/718935248.db2.gz IHUFIZDGMMDCRB-QILLFSRXSA-N 2 1 361.511 3.430 20 0 FGADMP CC(C)CCc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348664 718935402 /nfs/dbraw/zinc/93/54/02/718935402.db2.gz MKSJWOTYARXLEQ-XYJFISCASA-N 2 1 351.560 3.450 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363641 718937240 /nfs/dbraw/zinc/93/72/40/718937240.db2.gz JWYONGVTZRXCBD-QGPMSJSTSA-N 2 1 356.869 3.219 20 0 FGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363706 718937314 /nfs/dbraw/zinc/93/73/14/718937314.db2.gz LHESWSMMUJYSBH-WTTBNOFXSA-N 2 1 353.532 3.101 20 0 FGADMP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363706 718937317 /nfs/dbraw/zinc/93/73/17/718937317.db2.gz LHESWSMMUJYSBH-WTTBNOFXSA-N 2 1 353.532 3.101 20 0 FGADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000652611494 718965675 /nfs/dbraw/zinc/96/56/75/718965675.db2.gz KWSSQKSTHLQQQB-UHFFFAOYSA-N 2 1 360.424 3.264 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653110017 719013530 /nfs/dbraw/zinc/01/35/30/719013530.db2.gz VCVXMOSBRXSJMC-CEXWTWQISA-N 2 1 361.917 3.124 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000653119732 719013887 /nfs/dbraw/zinc/01/38/87/719013887.db2.gz UNVJCYZZALNTBR-PKOBYXMFSA-N 2 1 363.933 3.200 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000653119732 719013890 /nfs/dbraw/zinc/01/38/90/719013890.db2.gz UNVJCYZZALNTBR-PKOBYXMFSA-N 2 1 363.933 3.200 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154456 719018645 /nfs/dbraw/zinc/01/86/45/719018645.db2.gz RZPSXRZHDUPRCP-VBZWBGKMSA-N 2 1 367.896 3.106 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)SC2)c1 ZINC000655707771 719328062 /nfs/dbraw/zinc/32/80/62/719328062.db2.gz CNPPQEKZZBYPKV-AEFFLSMTSA-N 2 1 352.544 3.017 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000781918671 724612182 /nfs/dbraw/zinc/61/21/82/724612182.db2.gz YRFUBODCSYNBMS-FQEVSTJZSA-N 2 1 351.535 3.195 20 0 FGADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O ZINC000781919973 724612759 /nfs/dbraw/zinc/61/27/59/724612759.db2.gz UDELBJLKNJMSQB-CGXNFDGLSA-N 2 1 354.579 3.123 20 0 FGADMP c1csc(C[N@H+]2CCOC3(CCN(c4[nH+]ccc5[nH]ccc54)CC3)C2)c1 ZINC001164695727 719886876 /nfs/dbraw/zinc/88/68/76/719886876.db2.gz TVFKGMKDQHWTHT-UHFFFAOYSA-N 2 1 368.506 3.496 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000659493308 719920272 /nfs/dbraw/zinc/92/02/72/719920272.db2.gz XYPHQXJCEQZSJP-INIZCTEOSA-N 2 1 354.926 3.102 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN(CC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660159448 719999324 /nfs/dbraw/zinc/99/93/24/719999324.db2.gz UJEQETVPKCOMSJ-BGYRXZFFSA-N 2 1 353.595 3.035 20 0 FGADMP COCC[NH+](C)CCCC1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660159448 719999327 /nfs/dbraw/zinc/99/93/27/719999327.db2.gz UJEQETVPKCOMSJ-BGYRXZFFSA-N 2 1 353.595 3.035 20 0 FGADMP COCC[NH+](C)CCCC1CCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000660159448 719999329 /nfs/dbraw/zinc/99/93/29/719999329.db2.gz UJEQETVPKCOMSJ-BGYRXZFFSA-N 2 1 353.595 3.035 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535384 720069817 /nfs/dbraw/zinc/06/98/17/720069817.db2.gz JCJQLKAIBLQZSC-RDJZCZTQSA-N 2 1 360.420 3.327 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535384 720069821 /nfs/dbraw/zinc/06/98/21/720069821.db2.gz JCJQLKAIBLQZSC-RDJZCZTQSA-N 2 1 360.420 3.327 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C)ccc1Br ZINC000660586829 720078330 /nfs/dbraw/zinc/07/83/30/720078330.db2.gz JXSFPUVHMAFLMD-HNNXBMFYSA-N 2 1 357.336 3.283 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)ccc1Br ZINC000660586829 720078333 /nfs/dbraw/zinc/07/83/33/720078333.db2.gz JXSFPUVHMAFLMD-HNNXBMFYSA-N 2 1 357.336 3.283 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657642 720092973 /nfs/dbraw/zinc/09/29/73/720092973.db2.gz ZAKLTRIATHRCHB-FFZOFVMBSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657642 720092975 /nfs/dbraw/zinc/09/29/75/720092975.db2.gz ZAKLTRIATHRCHB-FFZOFVMBSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657642 720092981 /nfs/dbraw/zinc/09/29/81/720092981.db2.gz ZAKLTRIATHRCHB-FFZOFVMBSA-N 2 1 366.933 3.196 20 0 FGADMP C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281405 720409318 /nfs/dbraw/zinc/40/93/18/720409318.db2.gz WMFYYXYQTFPCKR-ZDUSSCGKSA-N 2 1 359.695 3.055 20 0 FGADMP C[N@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662281405 720409321 /nfs/dbraw/zinc/40/93/21/720409321.db2.gz WMFYYXYQTFPCKR-ZDUSSCGKSA-N 2 1 359.695 3.055 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662281722 720409550 /nfs/dbraw/zinc/40/95/50/720409550.db2.gz LFKQGGMQKHDUDU-RDJZCZTQSA-N 2 1 358.404 3.145 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283321 720409813 /nfs/dbraw/zinc/40/98/13/720409813.db2.gz HPPPPIIVVGMNKJ-VNQPRFMTSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283321 720409814 /nfs/dbraw/zinc/40/98/14/720409814.db2.gz HPPPPIIVVGMNKJ-VNQPRFMTSA-N 2 1 358.404 3.288 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662293054 720410920 /nfs/dbraw/zinc/41/09/20/720410920.db2.gz JCKCQFOECCMWDJ-HNNXBMFYSA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662293054 720410922 /nfs/dbraw/zinc/41/09/22/720410922.db2.gz JCKCQFOECCMWDJ-HNNXBMFYSA-N 2 1 360.527 3.225 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298741 720411944 /nfs/dbraw/zinc/41/19/44/720411944.db2.gz XKHGDKVWCZJHSN-MAUKXSAKSA-N 2 1 363.933 3.056 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297842 720411989 /nfs/dbraw/zinc/41/19/89/720411989.db2.gz SKMOOHUSCAVTJH-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297842 720411991 /nfs/dbraw/zinc/41/19/91/720411991.db2.gz SKMOOHUSCAVTJH-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299071 720412017 /nfs/dbraw/zinc/41/20/17/720412017.db2.gz ZKKSTISWXRLTQL-NVXWUHKLSA-N 2 1 361.555 3.447 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc(Cl)c1Cl ZINC000662338222 720416695 /nfs/dbraw/zinc/41/66/95/720416695.db2.gz IHSLZISPDZDSDZ-NVXWUHKLSA-N 2 1 370.324 3.245 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1Cl ZINC000662343461 720416939 /nfs/dbraw/zinc/41/69/39/720416939.db2.gz RKMPMZFLXRMYQB-OALUTQOASA-N 2 1 357.885 3.294 20 0 FGADMP CC12CC(C1)C[N@@H+]2CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662380701 720423048 /nfs/dbraw/zinc/42/30/48/720423048.db2.gz JSHFMIMIZFHIMF-VDUSKEEQSA-N 2 1 361.917 3.077 20 0 FGADMP CC12CC(C1)C[N@H+]2CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662380701 720423051 /nfs/dbraw/zinc/42/30/51/720423051.db2.gz JSHFMIMIZFHIMF-VDUSKEEQSA-N 2 1 361.917 3.077 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000662510034 720436805 /nfs/dbraw/zinc/43/68/05/720436805.db2.gz BFRKBTIIEDDGEK-FNHZYXHNSA-N 2 1 351.922 3.213 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000662510034 720436807 /nfs/dbraw/zinc/43/68/07/720436807.db2.gz BFRKBTIIEDDGEK-FNHZYXHNSA-N 2 1 351.922 3.213 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(C(F)F)nc2ccccc21 ZINC000664197524 720607066 /nfs/dbraw/zinc/60/70/66/720607066.db2.gz ZQQBLXVBZCMAKK-ZDUSSCGKSA-N 2 1 351.445 3.251 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(C(F)F)nc2ccccc21 ZINC000664197524 720607070 /nfs/dbraw/zinc/60/70/70/720607070.db2.gz ZQQBLXVBZCMAKK-ZDUSSCGKSA-N 2 1 351.445 3.251 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000664627180 720668144 /nfs/dbraw/zinc/66/81/44/720668144.db2.gz USOBDLMDXVLSQW-IAGOWNOFSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664627180 720668147 /nfs/dbraw/zinc/66/81/47/720668147.db2.gz USOBDLMDXVLSQW-IAGOWNOFSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664627180 720668152 /nfs/dbraw/zinc/66/81/52/720668152.db2.gz USOBDLMDXVLSQW-IAGOWNOFSA-N 2 1 352.567 3.059 20 0 FGADMP Brc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c1)OCC2 ZINC000666996758 721010566 /nfs/dbraw/zinc/01/05/66/721010566.db2.gz DLESHZVSTKDVAS-OAHLLOKOSA-N 2 1 351.288 3.148 20 0 FGADMP Cc1ccc(C[NH+]2CCC3(CCN(c4cc(N)[nH+]cn4)CC3)CC2)cc1 ZINC001164759418 721045856 /nfs/dbraw/zinc/04/58/56/721045856.db2.gz LYGVQNUWNIUART-UHFFFAOYSA-N 2 1 351.498 3.250 20 0 FGADMP COc1cc[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164906998 721584715 /nfs/dbraw/zinc/58/47/15/721584715.db2.gz QGGHFSYNFZIQFY-IBGZPJMESA-N 2 1 374.435 3.223 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842944 721918963 /nfs/dbraw/zinc/91/89/63/721918963.db2.gz OLUSBPSTPITZJG-OLMNPRSZSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842944 721918966 /nfs/dbraw/zinc/91/89/66/721918966.db2.gz OLUSBPSTPITZJG-OLMNPRSZSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842944 721918969 /nfs/dbraw/zinc/91/89/69/721918969.db2.gz OLUSBPSTPITZJG-OLMNPRSZSA-N 2 1 367.896 3.072 20 0 FGADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164995041 722193673 /nfs/dbraw/zinc/19/36/73/722193673.db2.gz RNDDRBZQHKJGBL-JOCHJYFZSA-N 2 1 366.484 3.111 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000683705442 722306075 /nfs/dbraw/zinc/30/60/75/722306075.db2.gz SSJKCIWITKSUPT-UHFFFAOYSA-N 2 1 355.929 3.275 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000685004235 722370976 /nfs/dbraw/zinc/37/09/76/722370976.db2.gz MAGBRAZKIYOEOA-AWEZNQCLSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000685004235 722370979 /nfs/dbraw/zinc/37/09/79/722370979.db2.gz MAGBRAZKIYOEOA-AWEZNQCLSA-N 2 1 361.313 3.151 20 0 FGADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460641 722386131 /nfs/dbraw/zinc/38/61/31/722386131.db2.gz DMHPTWPICSXKAB-OKZBNKHCSA-N 2 1 366.571 3.269 20 0 FGADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460641 722386132 /nfs/dbraw/zinc/38/61/32/722386132.db2.gz DMHPTWPICSXKAB-OKZBNKHCSA-N 2 1 366.571 3.269 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000732273738 722483343 /nfs/dbraw/zinc/48/33/43/722483343.db2.gz JJZTUMGZSSJPPS-KRWDZBQOSA-N 2 1 351.922 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753327 722500607 /nfs/dbraw/zinc/50/06/07/722500607.db2.gz KNPSNQFALQEVMJ-QZTJIDSGSA-N 2 1 368.635 3.035 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741253400 722543858 /nfs/dbraw/zinc/54/38/58/722543858.db2.gz VUXJCFRXVURJCW-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000741253400 722543859 /nfs/dbraw/zinc/54/38/59/722543859.db2.gz VUXJCFRXVURJCW-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741253400 722543860 /nfs/dbraw/zinc/54/38/60/722543860.db2.gz VUXJCFRXVURJCW-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855538 722571951 /nfs/dbraw/zinc/57/19/51/722571951.db2.gz QZHLYXBIPNBPEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855538 722571952 /nfs/dbraw/zinc/57/19/52/722571952.db2.gz QZHLYXBIPNBPEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855538 722571953 /nfs/dbraw/zinc/57/19/53/722571953.db2.gz QZHLYXBIPNBPEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855538 722571954 /nfs/dbraw/zinc/57/19/54/722571954.db2.gz QZHLYXBIPNBPEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000747957637 722669365 /nfs/dbraw/zinc/66/93/65/722669365.db2.gz VGWPHJBLHZCTKO-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955689 722669449 /nfs/dbraw/zinc/66/94/49/722669449.db2.gz JRWCOFOLWLPENZ-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(C)c1 ZINC000751011939 722790525 /nfs/dbraw/zinc/79/05/25/722790525.db2.gz QLPARPXXDDSCRY-IBGZPJMESA-N 2 1 362.587 3.348 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000751011277 722790605 /nfs/dbraw/zinc/79/06/05/722790605.db2.gz NOKOXENGNCKSCU-HNNXBMFYSA-N 2 1 368.978 3.385 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664466 723077539 /nfs/dbraw/zinc/07/75/39/723077539.db2.gz SLMZLBHCVXTOHE-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664466 723077543 /nfs/dbraw/zinc/07/75/43/723077543.db2.gz SLMZLBHCVXTOHE-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760677384 723080805 /nfs/dbraw/zinc/08/08/05/723080805.db2.gz JBNWWWCRSSNADT-CALCHBBNSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760677384 723080808 /nfs/dbraw/zinc/08/08/08/723080808.db2.gz JBNWWWCRSSNADT-CALCHBBNSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnc(Cl)c1 ZINC000765680222 723532332 /nfs/dbraw/zinc/53/23/32/723532332.db2.gz AYKAHCKVSNGDPX-APWZRJJASA-N 2 1 358.917 3.374 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000796702863 723650984 /nfs/dbraw/zinc/65/09/84/723650984.db2.gz DCUHIPNUTGFYHP-OKZBNKHCSA-N 2 1 353.551 3.199 20 0 FGADMP COc1c(C)cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000796982307 723662304 /nfs/dbraw/zinc/66/23/04/723662304.db2.gz IJPPPGORHCPHRR-HNNXBMFYSA-N 2 1 353.938 3.334 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000773720178 723816459 /nfs/dbraw/zinc/81/64/59/723816459.db2.gz QJTZRIBZCKCBLM-SFHVURJKSA-N 2 1 356.432 3.342 20 0 FGADMP Cc1cc(Br)cn2cc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)nc12 ZINC000774348778 723884464 /nfs/dbraw/zinc/88/44/64/723884464.db2.gz OVJPPPULQVNCMJ-VHRNVKJDSA-N 2 1 363.303 3.120 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)C[NH+]1CCCC1 ZINC000775377902 723986576 /nfs/dbraw/zinc/98/65/76/723986576.db2.gz FMBJPCLQAWMJSW-RHSMWYFYSA-N 2 1 356.482 3.425 20 0 FGADMP CC(C)[C@@H](C(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802147085 724361451 /nfs/dbraw/zinc/36/14/51/724361451.db2.gz RFBHMICCPDWMPI-IMFGXOCKSA-N 2 1 350.478 3.291 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCS2 ZINC000786581029 724989911 /nfs/dbraw/zinc/98/99/11/724989911.db2.gz RWLRXXZVZMXTSL-HKUYNNGSSA-N 2 1 362.539 3.465 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)[C@@H](C)C1 ZINC000806139317 725117793 /nfs/dbraw/zinc/11/77/93/725117793.db2.gz NUSOADUSPFDRNZ-BHYGNILZSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)[C@@H](C)C1 ZINC000806139317 725117794 /nfs/dbraw/zinc/11/77/94/725117794.db2.gz NUSOADUSPFDRNZ-BHYGNILZSA-N 2 1 351.922 3.449 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000809548538 725246670 /nfs/dbraw/zinc/24/66/70/725246670.db2.gz FJUPYHJYKGSWTC-GOSISDBHSA-N 2 1 358.555 3.301 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000809548538 725246671 /nfs/dbraw/zinc/24/66/71/725246671.db2.gz FJUPYHJYKGSWTC-GOSISDBHSA-N 2 1 358.555 3.301 20 0 FGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766937 725266575 /nfs/dbraw/zinc/26/65/75/725266575.db2.gz CIEIWYLYHJMCOH-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766937 725266577 /nfs/dbraw/zinc/26/65/77/725266577.db2.gz CIEIWYLYHJMCOH-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766937 725266580 /nfs/dbraw/zinc/26/65/80/725266580.db2.gz CIEIWYLYHJMCOH-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465279 725309356 /nfs/dbraw/zinc/30/93/56/725309356.db2.gz KWAIOOIRIFTGBN-VQIMIIECSA-N 2 1 369.912 3.271 20 0 FGADMP CC(C)C[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466624 725367529 /nfs/dbraw/zinc/36/75/29/725367529.db2.gz UQRYVPICJCMAPQ-ROUUACIJSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466624 725367530 /nfs/dbraw/zinc/36/75/30/725367530.db2.gz UQRYVPICJCMAPQ-ROUUACIJSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000811869690 725383538 /nfs/dbraw/zinc/38/35/38/725383538.db2.gz VSINHBCWQLLQFB-QGZVFWFLSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1I)CC[NH2+]CC2 ZINC000818431733 727311404 /nfs/dbraw/zinc/31/14/04/727311404.db2.gz RUVCJTLBLUFISE-ZDUSSCGKSA-N 2 1 370.278 3.255 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000820811193 729033589 /nfs/dbraw/zinc/03/35/89/729033589.db2.gz MHMLLLVOWFQWRY-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000823489260 729284864 /nfs/dbraw/zinc/28/48/64/729284864.db2.gz CNMGTRYOGRIFDP-RCCFBDPRSA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000823489260 729284867 /nfs/dbraw/zinc/28/48/67/729284867.db2.gz CNMGTRYOGRIFDP-RCCFBDPRSA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000823489260 729284868 /nfs/dbraw/zinc/28/48/68/729284868.db2.gz CNMGTRYOGRIFDP-RCCFBDPRSA-N 2 1 353.551 3.199 20 0 FGADMP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccnc(Cl)c3F)c2)CCO1 ZINC000823709150 729300212 /nfs/dbraw/zinc/30/02/12/729300212.db2.gz LLVDXHPQZOMQLC-AWEZNQCLSA-N 2 1 363.864 3.385 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000827950197 729437718 /nfs/dbraw/zinc/43/77/18/729437718.db2.gz QWWDEDZTCXLUQJ-KRWDZBQOSA-N 2 1 351.535 3.003 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]CCCC[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063125 729854704 /nfs/dbraw/zinc/85/47/04/729854704.db2.gz HJNGQSZXNCYIEM-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108489 730586403 /nfs/dbraw/zinc/58/64/03/730586403.db2.gz OPGYIUNXWNCVTP-IEZWGBDMSA-N 2 1 359.539 3.369 20 0 FGADMP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108489 730586408 /nfs/dbraw/zinc/58/64/08/730586408.db2.gz OPGYIUNXWNCVTP-IEZWGBDMSA-N 2 1 359.539 3.369 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364217 730610951 /nfs/dbraw/zinc/61/09/51/730610951.db2.gz SCRGDWGRDIPHCT-UHFFFAOYSA-N 2 1 370.324 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399560 730614976 /nfs/dbraw/zinc/61/49/76/730614976.db2.gz KYYOJDWVIUMLJM-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2ccccc2s1 ZINC000848533120 731176706 /nfs/dbraw/zinc/17/67/06/731176706.db2.gz OEHLUNZXWKESHR-ROUUACIJSA-N 2 1 360.523 3.168 20 0 FGADMP CC[C@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)CCO1 ZINC000849352268 731251810 /nfs/dbraw/zinc/25/18/10/731251810.db2.gz JWPNANARDLFLKF-ITQYTPKQSA-N 2 1 350.478 3.075 20 0 FGADMP FC1(F)[C@@H]2CCCO[C@@]21C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000850380217 731350358 /nfs/dbraw/zinc/35/03/58/731350358.db2.gz QOMBLKPUZHWVPC-MOPGFXCFSA-N 2 1 350.453 3.097 20 0 FGADMP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cn1 ZINC000852762868 731631719 /nfs/dbraw/zinc/63/17/19/731631719.db2.gz YQQSPVYEIXNRQQ-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)cn1 ZINC000852762868 731631727 /nfs/dbraw/zinc/63/17/27/731631727.db2.gz YQQSPVYEIXNRQQ-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000858245825 732196218 /nfs/dbraw/zinc/19/62/18/732196218.db2.gz PACUUZYTKYYKGJ-CYBMUJFWSA-N 2 1 354.520 3.312 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000858245825 732196221 /nfs/dbraw/zinc/19/62/21/732196221.db2.gz PACUUZYTKYYKGJ-CYBMUJFWSA-N 2 1 354.520 3.312 20 0 FGADMP Cc1ccccc1SC[C@@H](C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193231 732288259 /nfs/dbraw/zinc/28/82/59/732288259.db2.gz RZARSUCNDPAYPE-AZUAARDMSA-N 2 1 361.599 3.435 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2Cl)cc1 ZINC000859214148 732291164 /nfs/dbraw/zinc/29/11/64/732291164.db2.gz MSRAWVZDXQXXHG-SFHVURJKSA-N 2 1 362.901 3.273 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000865554974 733226449 /nfs/dbraw/zinc/22/64/49/733226449.db2.gz SEBPBKRUUJVYTR-FQEVSTJZSA-N 2 1 359.539 3.334 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000865554974 733226453 /nfs/dbraw/zinc/22/64/53/733226453.db2.gz SEBPBKRUUJVYTR-FQEVSTJZSA-N 2 1 359.539 3.334 20 0 FGADMP CCN(C(C)=O)c1nc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cs1 ZINC000865715659 733257926 /nfs/dbraw/zinc/25/79/26/733257926.db2.gz XAKMKHMTVMCFFN-UHFFFAOYSA-N 2 1 352.548 3.116 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819078 733274980 /nfs/dbraw/zinc/27/49/80/733274980.db2.gz BCYNYZHGTIVKPN-NJAFHUGGSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872035134 735579739 /nfs/dbraw/zinc/57/97/39/735579739.db2.gz LODUDFDKYDGEHP-KYJSFNMBSA-N 2 1 367.331 3.458 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000877690117 736705838 /nfs/dbraw/zinc/70/58/38/736705838.db2.gz NLKHIXAPJCXDCT-UHFFFAOYSA-N 2 1 351.535 3.192 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018399 736758933 /nfs/dbraw/zinc/75/89/33/736758933.db2.gz VTKNJJMWHWEAMZ-WOJBJXKFSA-N 2 1 350.547 3.016 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000878867323 736927356 /nfs/dbraw/zinc/92/73/56/736927356.db2.gz RUCBUUUYPOSNMQ-INIZCTEOSA-N 2 1 371.294 3.039 20 0 FGADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000879663523 737026850 /nfs/dbraw/zinc/02/68/50/737026850.db2.gz JVKCWWLLOMFEMK-MRXNPFEDSA-N 2 1 352.276 3.093 20 0 FGADMP COC(=O)c1cnc(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000880272324 737145975 /nfs/dbraw/zinc/14/59/75/737145975.db2.gz QGGDGRAOLMNYIF-INIZCTEOSA-N 2 1 365.543 3.059 20 0 FGADMP COC(=O)c1cnc(CC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000880272324 737145983 /nfs/dbraw/zinc/14/59/83/737145983.db2.gz QGGDGRAOLMNYIF-INIZCTEOSA-N 2 1 365.543 3.059 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)[C@H]1c1cccs1 ZINC000885999295 739208367 /nfs/dbraw/zinc/20/83/67/739208367.db2.gz HCHCTEGRDNQVQC-AOIWGVFYSA-N 2 1 364.555 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)[C@H]1c1cccs1 ZINC000885999295 739208371 /nfs/dbraw/zinc/20/83/71/739208371.db2.gz HCHCTEGRDNQVQC-AOIWGVFYSA-N 2 1 364.555 3.449 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cscc2C(F)F)CC1 ZINC000888379017 739512172 /nfs/dbraw/zinc/51/21/72/739512172.db2.gz IDOUIHUQRPTCTB-UHFFFAOYSA-N 2 1 352.410 3.085 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000891725803 739931516 /nfs/dbraw/zinc/93/15/16/739931516.db2.gz BCJBKVSWHXNTNN-MSOLQXFVSA-N 2 1 366.937 3.246 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000891725803 739931517 /nfs/dbraw/zinc/93/15/17/739931517.db2.gz BCJBKVSWHXNTNN-MSOLQXFVSA-N 2 1 366.937 3.246 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050850 742231747 /nfs/dbraw/zinc/23/17/47/742231747.db2.gz VAMTVIBATGAGTH-ILXRZTDVSA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050850 742231748 /nfs/dbraw/zinc/23/17/48/742231748.db2.gz VAMTVIBATGAGTH-ILXRZTDVSA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050850 742231754 /nfs/dbraw/zinc/23/17/54/742231754.db2.gz VAMTVIBATGAGTH-ILXRZTDVSA-N 2 1 363.493 3.197 20 0 FGADMP C[C@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000895682480 742439404 /nfs/dbraw/zinc/43/94/04/742439404.db2.gz FBBDLTKEZXMHPA-GOSISDBHSA-N 2 1 366.571 3.392 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)s1 ZINC000896930828 742616985 /nfs/dbraw/zinc/61/69/85/742616985.db2.gz BQQSSRNKFPSONB-GDBMZVCRSA-N 2 1 365.543 3.105 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC[N@H+]1C ZINC000898162367 742750978 /nfs/dbraw/zinc/75/09/78/742750978.db2.gz QSASOUNXHOZIFR-VFPGXZCRSA-N 2 1 356.432 3.084 20 0 FGADMP C[C@@H]1C[N@H+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CCO1 ZINC000899874644 743021532 /nfs/dbraw/zinc/02/15/32/743021532.db2.gz HHHXBMLCTHLBMB-GFCCVEGCSA-N 2 1 355.360 3.266 20 0 FGADMP C[C@@H]1C[N@@H+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CCO1 ZINC000899874644 743021544 /nfs/dbraw/zinc/02/15/44/743021544.db2.gz HHHXBMLCTHLBMB-GFCCVEGCSA-N 2 1 355.360 3.266 20 0 FGADMP CC(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097248 743804275 /nfs/dbraw/zinc/80/42/75/743804275.db2.gz DWIHINNEGIGQLZ-NXCDMZCRSA-N 2 1 351.535 3.283 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460441 743853283 /nfs/dbraw/zinc/85/32/83/743853283.db2.gz CKQIPCDIGKOLAF-KBMXLJTQSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460441 743853287 /nfs/dbraw/zinc/85/32/87/743853287.db2.gz CKQIPCDIGKOLAF-KBMXLJTQSA-N 2 1 371.294 3.449 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[NH2+]C12CCCC2)Nc1ccccc1Br ZINC000903486060 743856454 /nfs/dbraw/zinc/85/64/54/743856454.db2.gz RWJQZUXCBPWHKT-OAHLLOKOSA-N 2 1 366.303 3.042 20 0 FGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756611 743881036 /nfs/dbraw/zinc/88/10/36/743881036.db2.gz UDQQIPXDIVBOCW-KBAYOESNSA-N 2 1 354.416 3.263 20 0 FGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897752 743893590 /nfs/dbraw/zinc/89/35/90/743893590.db2.gz JKOOSYAKHUZIDN-HOTGVXAUSA-N 2 1 363.575 3.427 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932833 743900251 /nfs/dbraw/zinc/90/02/51/743900251.db2.gz WECAQIZCLFNTDQ-YOEHRIQHSA-N 2 1 359.905 3.018 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc(Br)c1OC ZINC000904411269 743953091 /nfs/dbraw/zinc/95/30/91/743953091.db2.gz TUKDIYFRDKCFKZ-GFCCVEGCSA-N 2 1 357.292 3.027 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388177 758910126 /nfs/dbraw/zinc/91/01/26/758910126.db2.gz CMNHMBNXFCFXBV-XOUADPBQSA-N 2 1 362.461 3.336 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922392351 758912543 /nfs/dbraw/zinc/91/25/43/758912543.db2.gz DCBKLCQZQBCAEQ-CWLMSFPYSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@@H]1C(C)C ZINC000922394680 758913837 /nfs/dbraw/zinc/91/38/37/758913837.db2.gz RCDLODIPIWTJMF-TXCZRRACSA-N 2 1 371.319 3.002 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@@H]1C(C)C ZINC000922394680 758913840 /nfs/dbraw/zinc/91/38/40/758913840.db2.gz RCDLODIPIWTJMF-TXCZRRACSA-N 2 1 371.319 3.002 20 0 FGADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1)c1ccc(C)cc1 ZINC000923483459 759129140 /nfs/dbraw/zinc/12/91/40/759129140.db2.gz PFTLMXNFIJWRRM-MRXNPFEDSA-N 2 1 358.511 3.307 20 0 FGADMP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1)c1ccc(C)cc1 ZINC000923483459 759129146 /nfs/dbraw/zinc/12/91/46/759129146.db2.gz PFTLMXNFIJWRRM-MRXNPFEDSA-N 2 1 358.511 3.307 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@H]1C[NH3+] ZINC000923499976 759133267 /nfs/dbraw/zinc/13/32/67/759133267.db2.gz PIQWNJYFOBUYFP-YPMHNXCESA-N 2 1 354.376 3.172 20 0 FGADMP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924632630 759366099 /nfs/dbraw/zinc/36/60/99/759366099.db2.gz SEPJEUVYKHMPGS-MSOLQXFVSA-N 2 1 352.954 3.438 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CCCC2)CC1 ZINC000925000285 759430223 /nfs/dbraw/zinc/43/02/23/759430223.db2.gz SUIZRCIBVWIODA-QUCCMNQESA-N 2 1 350.547 3.205 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(Br)CC3)CC2)oc1C ZINC000925036181 759435104 /nfs/dbraw/zinc/43/51/04/759435104.db2.gz AWCAWUOZSPUTON-CQSZACIVSA-N 2 1 370.335 3.409 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573953 759507210 /nfs/dbraw/zinc/50/72/10/759507210.db2.gz QTVKYGCRFGHCPE-IAGOWNOFSA-N 3 1 364.603 3.413 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925655106 759518671 /nfs/dbraw/zinc/51/86/71/759518671.db2.gz PTYOIYYBOBHSET-HOTGVXAUSA-N 2 1 357.420 3.281 20 0 FGADMP C[C@@H]1[C@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@H+]1Cc1ccccc1 ZINC000925750888 759531831 /nfs/dbraw/zinc/53/18/31/759531831.db2.gz VZJSFCSZLHRFKO-CRAIPNDOSA-N 2 1 356.539 3.013 20 0 FGADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775316 759534248 /nfs/dbraw/zinc/53/42/48/759534248.db2.gz FPVOOXPQXBZUQE-TVQRCGJNSA-N 2 1 363.221 3.410 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779962 759535467 /nfs/dbraw/zinc/53/54/67/759535467.db2.gz CNIQNNGGGBPDBA-BXUZGUMPSA-N 2 1 352.454 3.409 20 0 FGADMP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925828235 759552788 /nfs/dbraw/zinc/55/27/88/759552788.db2.gz VNKPSRHGXZGVTN-DZOHQFGASA-N 2 1 355.448 3.027 20 0 FGADMP C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925828235 759552792 /nfs/dbraw/zinc/55/27/92/759552792.db2.gz VNKPSRHGXZGVTN-DZOHQFGASA-N 2 1 355.448 3.027 20 0 FGADMP C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925828235 759552797 /nfs/dbraw/zinc/55/27/97/759552797.db2.gz VNKPSRHGXZGVTN-DZOHQFGASA-N 2 1 355.448 3.027 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)nc(C)[nH+]1 ZINC000925827702 759552955 /nfs/dbraw/zinc/55/29/55/759552955.db2.gz ANIHYLOORQEGAC-WMLDXEAASA-N 2 1 357.889 3.388 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(=O)n3cc(C)sc3n2)CC1 ZINC000929294228 760355189 /nfs/dbraw/zinc/35/51/89/760355189.db2.gz CLAWCZHUINCASK-UHFFFAOYSA-N 2 1 362.543 3.008 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929841088 760468508 /nfs/dbraw/zinc/46/85/08/760468508.db2.gz KBJFDBKFBPSICY-UYAOXDASSA-N 2 1 352.563 3.019 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000931348475 760835032 /nfs/dbraw/zinc/83/50/32/760835032.db2.gz HEKKMYPNSAHYAI-MAUKXSAKSA-N 2 1 354.922 3.195 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](C/C=C/Cl)C3)CC2)CC[N@H+]1C ZINC000961373273 762747379 /nfs/dbraw/zinc/74/73/79/762747379.db2.gz NMFNAEPXAOTCIG-ZYVNMVKGSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC000961373273 762747385 /nfs/dbraw/zinc/74/73/85/762747385.db2.gz NMFNAEPXAOTCIG-ZYVNMVKGSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC000961373273 762747392 /nfs/dbraw/zinc/74/73/92/762747392.db2.gz NMFNAEPXAOTCIG-ZYVNMVKGSA-N 2 1 367.965 3.030 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560738 762912916 /nfs/dbraw/zinc/91/29/16/762912916.db2.gz JJWVFOSHDXSAMW-AYOQOUSVSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971560738 762912920 /nfs/dbraw/zinc/91/29/20/762912920.db2.gz JJWVFOSHDXSAMW-AYOQOUSVSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971560738 762912923 /nfs/dbraw/zinc/91/29/23/762912923.db2.gz JJWVFOSHDXSAMW-AYOQOUSVSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375637 765590559 /nfs/dbraw/zinc/59/05/59/765590559.db2.gz FLPOPQHVSLHOJR-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375637 765590567 /nfs/dbraw/zinc/59/05/67/765590567.db2.gz FLPOPQHVSLHOJR-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375637 765590571 /nfs/dbraw/zinc/59/05/71/765590571.db2.gz FLPOPQHVSLHOJR-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375637 765590578 /nfs/dbraw/zinc/59/05/78/765590578.db2.gz FLPOPQHVSLHOJR-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375637 765590588 /nfs/dbraw/zinc/59/05/88/765590588.db2.gz FLPOPQHVSLHOJR-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2sccc2Cl)CC[N@H+]1C ZINC001024967509 766064511 /nfs/dbraw/zinc/06/45/11/766064511.db2.gz SHSSMXXZYQZBBN-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001026495969 766074215 /nfs/dbraw/zinc/07/42/15/766074215.db2.gz BTULLGFGWADBJW-XSCHDIRWSA-N 2 1 369.962 3.259 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001026496156 766075030 /nfs/dbraw/zinc/07/50/30/766075030.db2.gz OBLPXIKZDTWCCQ-AGERRDQYSA-N 2 1 363.933 3.197 20 0 FGADMP Cc1cc(C[NH+](C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416242 766092829 /nfs/dbraw/zinc/09/28/29/766092829.db2.gz CGZKJZUDNADTFJ-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416242 766092841 /nfs/dbraw/zinc/09/28/41/766092841.db2.gz CGZKJZUDNADTFJ-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@H+](C)[C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416242 766092844 /nfs/dbraw/zinc/09/28/44/766092844.db2.gz CGZKJZUDNADTFJ-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001028551113 766123042 /nfs/dbraw/zinc/12/30/42/766123042.db2.gz HNNYTKBJLAWLFI-CWRNSKLLSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001028551113 766123047 /nfs/dbraw/zinc/12/30/47/766123047.db2.gz HNNYTKBJLAWLFI-CWRNSKLLSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001028551113 766123052 /nfs/dbraw/zinc/12/30/52/766123052.db2.gz HNNYTKBJLAWLFI-CWRNSKLLSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001034215681 766233368 /nfs/dbraw/zinc/23/33/68/766233368.db2.gz CAMWRLYNTHBIEW-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001034215681 766233372 /nfs/dbraw/zinc/23/33/72/766233372.db2.gz CAMWRLYNTHBIEW-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CC=C(Cl)Cl)C2)CC[NH+]1C ZINC001034215681 766233379 /nfs/dbraw/zinc/23/33/79/766233379.db2.gz CAMWRLYNTHBIEW-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[N@@H+](CC=C(Cl)Cl)C2)CC[NH+]1C ZINC001034215681 766233383 /nfs/dbraw/zinc/23/33/83/766233383.db2.gz CAMWRLYNTHBIEW-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP Cn1ccnc1CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000102514153 257351101 /nfs/dbraw/zinc/35/11/01/257351101.db2.gz TUOXRXIKAHTMMM-UHFFFAOYSA-N 2 1 352.404 3.147 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147685 503690329 /nfs/dbraw/zinc/69/03/29/503690329.db2.gz ORCBSOHUANVYMH-SJORKVTESA-N 2 1 367.559 3.077 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000576956550 505632975 /nfs/dbraw/zinc/63/29/75/505632975.db2.gz DNJWKBVQMRSAON-AEFFLSMTSA-N 2 1 369.538 3.035 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000576956553 505633409 /nfs/dbraw/zinc/63/34/09/505633409.db2.gz DNJWKBVQMRSAON-WMZOPIPTSA-N 2 1 369.538 3.035 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189400 505639103 /nfs/dbraw/zinc/63/91/03/505639103.db2.gz GRLKINYXXXXFAC-UWVAXJGDSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189400 505639106 /nfs/dbraw/zinc/63/91/06/505639106.db2.gz GRLKINYXXXXFAC-UWVAXJGDSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189400 505639109 /nfs/dbraw/zinc/63/91/09/505639109.db2.gz GRLKINYXXXXFAC-UWVAXJGDSA-N 2 1 354.498 3.272 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000577069797 505658220 /nfs/dbraw/zinc/65/82/20/505658220.db2.gz VOKNNVVCCGHWIZ-GOSISDBHSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000573949754 505658696 /nfs/dbraw/zinc/65/86/96/505658696.db2.gz AUBVZJCXQVVPBR-BHIYHBOVSA-N 2 1 367.497 3.309 20 0 FGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000580063982 505672459 /nfs/dbraw/zinc/67/24/59/505672459.db2.gz DXGVSPUOEZZCJV-MSYCTHLASA-N 2 1 368.521 3.162 20 0 FGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000580063982 505672464 /nfs/dbraw/zinc/67/24/64/505672464.db2.gz DXGVSPUOEZZCJV-MSYCTHLASA-N 2 1 368.521 3.162 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000577171870 505679570 /nfs/dbraw/zinc/67/95/70/505679570.db2.gz DXCUWSRLXRLAHE-WMZHIEFXSA-N 2 1 368.521 3.379 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000068258704 493785892 /nfs/dbraw/zinc/78/58/92/493785892.db2.gz WCHWDAHOGNILQZ-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029699 493892875 /nfs/dbraw/zinc/89/28/75/493892875.db2.gz PQBLHAJPSWWISD-RTBURBONSA-N 2 1 357.523 3.132 20 0 FGADMP Cc1ccsc1C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076457544 493897346 /nfs/dbraw/zinc/89/73/46/493897346.db2.gz RBLMPSDQPSKVLA-UHFFFAOYSA-N 2 1 371.550 3.401 20 0 FGADMP Cc1ccsc1C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076457544 493897349 /nfs/dbraw/zinc/89/73/49/493897349.db2.gz RBLMPSDQPSKVLA-UHFFFAOYSA-N 2 1 371.550 3.401 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081523191 493909912 /nfs/dbraw/zinc/90/99/12/493909912.db2.gz AZZAXEVMQKBBCL-FQEVSTJZSA-N 2 1 355.457 3.490 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081523191 493909915 /nfs/dbraw/zinc/90/99/15/493909915.db2.gz AZZAXEVMQKBBCL-FQEVSTJZSA-N 2 1 355.457 3.490 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1CCCC1 ZINC000060211365 493918609 /nfs/dbraw/zinc/91/86/09/493918609.db2.gz CVBDRSKZWLDSEP-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578918 493921865 /nfs/dbraw/zinc/92/18/65/493921865.db2.gz CKWYFMFJMBPCIH-ICSRJNTNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578918 493921867 /nfs/dbraw/zinc/92/18/67/493921867.db2.gz CKWYFMFJMBPCIH-ICSRJNTNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578918 493921872 /nfs/dbraw/zinc/92/18/72/493921872.db2.gz CKWYFMFJMBPCIH-ICSRJNTNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578918 493921876 /nfs/dbraw/zinc/92/18/76/493921876.db2.gz CKWYFMFJMBPCIH-ICSRJNTNSA-N 2 1 356.510 3.243 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000069820492 494017266 /nfs/dbraw/zinc/01/72/66/494017266.db2.gz CLJQHSGWXHJLIW-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000069820492 494017268 /nfs/dbraw/zinc/01/72/68/494017268.db2.gz CLJQHSGWXHJLIW-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000069820492 494017270 /nfs/dbraw/zinc/01/72/70/494017270.db2.gz CLJQHSGWXHJLIW-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000063647815 494073772 /nfs/dbraw/zinc/07/37/72/494073772.db2.gz ANNDSJRBTNVBDC-NRFANRHFSA-N 2 1 367.493 3.230 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000574133206 505701520 /nfs/dbraw/zinc/70/15/20/505701520.db2.gz YCBWQOHZYVFZCV-ICSRJNTNSA-N 2 1 367.497 3.437 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000063831096 494092261 /nfs/dbraw/zinc/09/22/61/494092261.db2.gz BAHRIFCVGZCNBU-KDURUIRLSA-N 2 1 357.542 3.380 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(CC[NH+](C)C)CC2)c1 ZINC000064229299 494107542 /nfs/dbraw/zinc/10/75/42/494107542.db2.gz JUULZPAVNCALGV-UHFFFAOYSA-N 2 1 360.546 3.012 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000064237120 494108250 /nfs/dbraw/zinc/10/82/50/494108250.db2.gz GLUKLPUKMKVIPQ-FQEVSTJZSA-N 2 1 369.513 3.026 20 0 FGADMP O=C(C[N@@H+](Cc1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508670 494129761 /nfs/dbraw/zinc/12/97/61/494129761.db2.gz RSLBKOOWFCIYNE-UHFFFAOYSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(C[N@H+](Cc1ccc(Cl)cc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508670 494129765 /nfs/dbraw/zinc/12/97/65/494129765.db2.gz RSLBKOOWFCIYNE-UHFFFAOYSA-N 2 1 361.917 3.047 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000086364918 494150651 /nfs/dbraw/zinc/15/06/51/494150651.db2.gz CIRXHBDXBJZFKY-DLBZAZTESA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000086364918 494150655 /nfs/dbraw/zinc/15/06/55/494150655.db2.gz CIRXHBDXBJZFKY-DLBZAZTESA-N 2 1 369.513 3.273 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000077780504 494175875 /nfs/dbraw/zinc/17/58/75/494175875.db2.gz XJELSTSHGXOUNL-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCCc3ccccc32)CC1 ZINC000089116922 494267207 /nfs/dbraw/zinc/26/72/07/494267207.db2.gz YAOFHPMDYDKFQH-OAQYLSRUSA-N 2 1 355.526 3.129 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000066042309 494271230 /nfs/dbraw/zinc/27/12/30/494271230.db2.gz UASQXTNPBHDEAD-OAQYLSRUSA-N 2 1 351.494 3.202 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000078402373 494292366 /nfs/dbraw/zinc/29/23/66/494292366.db2.gz QZOXDRNAORCICP-LEWJYISDSA-N 2 1 353.510 3.407 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512193 505712872 /nfs/dbraw/zinc/71/28/72/505712872.db2.gz QSNNUQFNEZFUKK-VGWHQZGPSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512193 505712873 /nfs/dbraw/zinc/71/28/73/505712873.db2.gz QSNNUQFNEZFUKK-VGWHQZGPSA-N 2 1 370.324 3.230 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000089640398 494336154 /nfs/dbraw/zinc/33/61/54/494336154.db2.gz JBSITVWKCCKCQY-ZFWWWQNUSA-N 2 1 368.319 3.016 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000073415616 494369235 /nfs/dbraw/zinc/36/92/35/494369235.db2.gz XIUARTCRGLFKJX-RTWAWAEBSA-N 2 1 372.557 3.339 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900907 494444967 /nfs/dbraw/zinc/44/49/67/494444967.db2.gz ACPQZBWEHKAFJB-FUHWJXTLSA-N 2 1 364.534 3.015 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000079393342 494446232 /nfs/dbraw/zinc/44/62/32/494446232.db2.gz NLXPYXNDBADXAL-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000079393342 494446235 /nfs/dbraw/zinc/44/62/35/494446235.db2.gz NLXPYXNDBADXAL-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000079393342 494446238 /nfs/dbraw/zinc/44/62/38/494446238.db2.gz NLXPYXNDBADXAL-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000079393342 494446243 /nfs/dbraw/zinc/44/62/43/494446243.db2.gz NLXPYXNDBADXAL-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000045757622 494457545 /nfs/dbraw/zinc/45/75/45/494457545.db2.gz RZCVWJFNAPXRAO-LJQANCHMSA-N 2 1 372.557 3.133 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074102020 494480915 /nfs/dbraw/zinc/48/09/15/494480915.db2.gz OKVMTNVOWJXJQV-LJQANCHMSA-N 2 1 354.498 3.130 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074102020 494480919 /nfs/dbraw/zinc/48/09/19/494480919.db2.gz OKVMTNVOWJXJQV-LJQANCHMSA-N 2 1 354.498 3.130 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090884107 494500948 /nfs/dbraw/zinc/50/09/48/494500948.db2.gz AAGDFOBACLLMBS-RISCZKNCSA-N 2 1 365.827 3.453 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1CC ZINC000074496983 494547547 /nfs/dbraw/zinc/54/75/47/494547547.db2.gz CVAIDGGIPXQZJZ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000074496983 494547548 /nfs/dbraw/zinc/54/75/48/494547548.db2.gz CVAIDGGIPXQZJZ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000074496983 494547551 /nfs/dbraw/zinc/54/75/51/494547551.db2.gz CVAIDGGIPXQZJZ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067483210 494549719 /nfs/dbraw/zinc/54/97/19/494549719.db2.gz ALLGREFAZPZOIH-FQEVSTJZSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccc(-c2ncc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)s2)o1 ZINC000121152059 494618693 /nfs/dbraw/zinc/61/86/93/494618693.db2.gz DYWMTOXJCNQTKF-CQSZACIVSA-N 2 1 363.527 3.236 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)CC3CCC3)cn2)CC1 ZINC000092507371 494650609 /nfs/dbraw/zinc/65/06/09/494650609.db2.gz BRXUGRWQWFJSDX-UHFFFAOYSA-N 2 1 365.525 3.031 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)CC3CCC3)cn2)CC1 ZINC000092507371 494650616 /nfs/dbraw/zinc/65/06/16/494650616.db2.gz BRXUGRWQWFJSDX-UHFFFAOYSA-N 2 1 365.525 3.031 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)C1CC[NH+](C)CC1 ZINC000121240609 494662365 /nfs/dbraw/zinc/66/23/65/494662365.db2.gz LYOIUKIAOPGRPI-SFHVURJKSA-N 2 1 367.541 3.320 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCC[C@H](c2ccn[nH]2)C1)C1CC[NH+](C)CC1 ZINC000121240609 494662374 /nfs/dbraw/zinc/66/23/74/494662374.db2.gz LYOIUKIAOPGRPI-SFHVURJKSA-N 2 1 367.541 3.320 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2ccn[nH]2)C1)C1CC[NH+](C)CC1 ZINC000121240609 494662382 /nfs/dbraw/zinc/66/23/82/494662382.db2.gz LYOIUKIAOPGRPI-SFHVURJKSA-N 2 1 367.541 3.320 20 0 FGADMP COc1cccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1OC ZINC000092645004 494693459 /nfs/dbraw/zinc/69/34/59/494693459.db2.gz QMOMVSDIVAJAAW-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP COc1cccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1OC ZINC000092645004 494693462 /nfs/dbraw/zinc/69/34/62/494693462.db2.gz QMOMVSDIVAJAAW-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP CC[NH+]1CCC(NC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121309068 494693772 /nfs/dbraw/zinc/69/37/72/494693772.db2.gz AHKVQLVRRXBUQH-OAHLLOKOSA-N 2 1 355.486 3.025 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619719 505738659 /nfs/dbraw/zinc/73/86/59/505738659.db2.gz GHYVVWLTSIJYMS-DENIHFKCSA-N 2 1 368.521 3.415 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cc3c(c(Cl)c2)OCO3)CC1 ZINC000080645651 494754030 /nfs/dbraw/zinc/75/40/30/494754030.db2.gz CHXJXUWRXRAAOY-UHFFFAOYSA-N 2 1 368.905 3.392 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126455229 494757009 /nfs/dbraw/zinc/75/70/09/494757009.db2.gz OCNCLUVSYOPGKG-ICSRJNTNSA-N 2 1 364.578 3.157 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820991 494763169 /nfs/dbraw/zinc/76/31/69/494763169.db2.gz NEYZCIAMJAIPOH-KRWDZBQOSA-N 2 1 360.546 3.313 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000121462359 494766671 /nfs/dbraw/zinc/76/66/71/494766671.db2.gz VWMOARGRFOLROR-QGZVFWFLSA-N 2 1 358.505 3.263 20 0 FGADMP C[C@H](CCNC(=O)NC1CCC(C[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000121486635 494778163 /nfs/dbraw/zinc/77/81/63/494778163.db2.gz BUBXWFXHBYGDSK-KMFTYDHNSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000116431038 494784570 /nfs/dbraw/zinc/78/45/70/494784570.db2.gz NYJRIBIGPHOIIL-RTWAWAEBSA-N 2 1 373.541 3.213 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131956936 494784731 /nfs/dbraw/zinc/78/47/31/494784731.db2.gz YKFIXURDBOHBKK-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131956547 494785615 /nfs/dbraw/zinc/78/56/15/494785615.db2.gz YKFIXURDBOHBKK-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560879 494814286 /nfs/dbraw/zinc/81/42/86/494814286.db2.gz SXMUPGBOZIQHPK-RBUKOAKNSA-N 2 1 372.557 3.195 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000126664273 494814718 /nfs/dbraw/zinc/81/47/18/494814718.db2.gz GGUKAUPHZNNHDL-JOCHJYFZSA-N 2 1 371.569 3.396 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000109257606 494852075 /nfs/dbraw/zinc/85/20/75/494852075.db2.gz LIOZZZATNLMLTM-HXUWFJFHSA-N 2 1 355.482 3.259 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000109257606 494852079 /nfs/dbraw/zinc/85/20/79/494852079.db2.gz LIOZZZATNLMLTM-HXUWFJFHSA-N 2 1 355.482 3.259 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457647 494878162 /nfs/dbraw/zinc/87/81/62/494878162.db2.gz LBYRTAROLVYBBE-LJQANCHMSA-N 2 1 368.525 3.031 20 0 FGADMP C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000132553104 494891536 /nfs/dbraw/zinc/89/15/36/494891536.db2.gz GSQLUVMLTRVTMY-GOSISDBHSA-N 2 1 357.542 3.014 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000093506448 494896673 /nfs/dbraw/zinc/89/66/73/494896673.db2.gz QQDOWVAZWVXXPQ-DENIHFKCSA-N 2 1 357.542 3.218 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639594 494906410 /nfs/dbraw/zinc/90/64/10/494906410.db2.gz WOLIXFJKCIRCBM-WBVHZDCISA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639594 494906411 /nfs/dbraw/zinc/90/64/11/494906411.db2.gz WOLIXFJKCIRCBM-WBVHZDCISA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000093639594 494906412 /nfs/dbraw/zinc/90/64/12/494906412.db2.gz WOLIXFJKCIRCBM-WBVHZDCISA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000093639594 494906413 /nfs/dbraw/zinc/90/64/13/494906413.db2.gz WOLIXFJKCIRCBM-WBVHZDCISA-N 2 1 350.503 3.265 20 0 FGADMP C[C@@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122038234 494913263 /nfs/dbraw/zinc/91/32/63/494913263.db2.gz CYTPAVYPRDOXRQ-SFHVURJKSA-N 2 1 368.529 3.311 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000093769465 494919275 /nfs/dbraw/zinc/91/92/75/494919275.db2.gz YWYUTJBZTJLQCB-UHFFFAOYSA-N 2 1 371.529 3.042 20 0 FGADMP CC(C)(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(F)cc1 ZINC000132788179 494924628 /nfs/dbraw/zinc/92/46/28/494924628.db2.gz JKVKEQXIMMLEAP-UHFFFAOYSA-N 2 1 361.505 3.169 20 0 FGADMP CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818808 494925227 /nfs/dbraw/zinc/92/52/27/494925227.db2.gz CQHGHXRCJXYFNF-SFHVURJKSA-N 2 1 355.482 3.145 20 0 FGADMP CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818808 494925229 /nfs/dbraw/zinc/92/52/29/494925229.db2.gz CQHGHXRCJXYFNF-SFHVURJKSA-N 2 1 355.482 3.145 20 0 FGADMP CC[NH+](Cc1c[nH]c(C(=O)OC)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818808 494925231 /nfs/dbraw/zinc/92/52/31/494925231.db2.gz CQHGHXRCJXYFNF-SFHVURJKSA-N 2 1 355.482 3.145 20 0 FGADMP CC[NH+](Cc1c[nH]c(C(=O)OC)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818808 494925233 /nfs/dbraw/zinc/92/52/33/494925233.db2.gz CQHGHXRCJXYFNF-SFHVURJKSA-N 2 1 355.482 3.145 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122213225 494941028 /nfs/dbraw/zinc/94/10/28/494941028.db2.gz PWGNOSNOQKIVFU-OAQYLSRUSA-N 2 1 358.526 3.480 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127438539 494944772 /nfs/dbraw/zinc/94/47/72/494944772.db2.gz ALJDFSCOXAESTI-GOSISDBHSA-N 2 1 356.470 3.002 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127438539 494944774 /nfs/dbraw/zinc/94/47/74/494944774.db2.gz ALJDFSCOXAESTI-GOSISDBHSA-N 2 1 356.470 3.002 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000127460863 494947537 /nfs/dbraw/zinc/94/75/37/494947537.db2.gz DDURJXHYUMWRIL-FXAWDEMLSA-N 2 1 370.541 3.097 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000122277642 494950911 /nfs/dbraw/zinc/95/09/11/494950911.db2.gz ZNQKEQHFLXTTTF-PXNSSMCTSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000122277642 494950914 /nfs/dbraw/zinc/95/09/14/494950914.db2.gz ZNQKEQHFLXTTTF-PXNSSMCTSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000122570358 494996683 /nfs/dbraw/zinc/99/66/83/494996683.db2.gz WDOLHCQNHJMTIR-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000122570358 494996689 /nfs/dbraw/zinc/99/66/89/494996689.db2.gz WDOLHCQNHJMTIR-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000122570358 494996691 /nfs/dbraw/zinc/99/66/91/494996691.db2.gz WDOLHCQNHJMTIR-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CN(C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698503 505754907 /nfs/dbraw/zinc/75/49/07/505754907.db2.gz MSOAKLWILDCFSW-SFHVURJKSA-N 2 1 360.498 3.005 20 0 FGADMP C[N@H+](C[C@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698503 505754910 /nfs/dbraw/zinc/75/49/10/505754910.db2.gz MSOAKLWILDCFSW-SFHVURJKSA-N 2 1 360.498 3.005 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698503 505754913 /nfs/dbraw/zinc/75/49/13/505754913.db2.gz MSOAKLWILDCFSW-SFHVURJKSA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698503 505754915 /nfs/dbraw/zinc/75/49/15/505754915.db2.gz MSOAKLWILDCFSW-SFHVURJKSA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698503 505754919 /nfs/dbraw/zinc/75/49/19/505754919.db2.gz MSOAKLWILDCFSW-SFHVURJKSA-N 2 1 360.498 3.005 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000127812403 495002253 /nfs/dbraw/zinc/00/22/53/495002253.db2.gz BVPHLAZSXDOSIV-DSKINZAPSA-N 2 1 370.541 3.056 20 0 FGADMP CN(C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698502 505755493 /nfs/dbraw/zinc/75/54/93/505755493.db2.gz MSOAKLWILDCFSW-GOSISDBHSA-N 2 1 360.498 3.005 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698502 505755495 /nfs/dbraw/zinc/75/54/95/505755495.db2.gz MSOAKLWILDCFSW-GOSISDBHSA-N 2 1 360.498 3.005 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698502 505755497 /nfs/dbraw/zinc/75/54/97/505755497.db2.gz MSOAKLWILDCFSW-GOSISDBHSA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698502 505755499 /nfs/dbraw/zinc/75/54/99/505755499.db2.gz MSOAKLWILDCFSW-GOSISDBHSA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1(C)CCCC1)C1CC1 ZINC000568698502 505755501 /nfs/dbraw/zinc/75/55/01/505755501.db2.gz MSOAKLWILDCFSW-GOSISDBHSA-N 2 1 360.498 3.005 20 0 FGADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807588 495034442 /nfs/dbraw/zinc/03/44/42/495034442.db2.gz BUIBQEINTDFENB-CEXWTWQISA-N 2 1 372.557 3.337 20 0 FGADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000133651345 495041435 /nfs/dbraw/zinc/04/14/35/495041435.db2.gz NYTVHYXNJATDPH-NRFANRHFSA-N 2 1 355.526 3.183 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000128141493 495051319 /nfs/dbraw/zinc/05/13/19/495051319.db2.gz FUZPJXWUDNKQPF-UHFFFAOYSA-N 2 1 358.461 3.462 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144348 495061142 /nfs/dbraw/zinc/06/11/42/495061142.db2.gz ZLWCPCNMKOBCDV-YOEHRIQHSA-N 2 1 355.320 3.193 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OC(F)(F)F ZINC000128266941 495070515 /nfs/dbraw/zinc/07/05/15/495070515.db2.gz HAMUMVPRPRRUKN-HNNXBMFYSA-N 2 1 359.436 3.263 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111444215 495075107 /nfs/dbraw/zinc/07/51/07/495075107.db2.gz DLYGDUQBXLDPKC-SFHVURJKSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000123137672 495086453 /nfs/dbraw/zinc/08/64/53/495086453.db2.gz ZMIOCQNYBPKQIH-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000123137672 495086455 /nfs/dbraw/zinc/08/64/55/495086455.db2.gz ZMIOCQNYBPKQIH-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123137672 495086457 /nfs/dbraw/zinc/08/64/57/495086457.db2.gz ZMIOCQNYBPKQIH-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123137672 495086459 /nfs/dbraw/zinc/08/64/59/495086459.db2.gz ZMIOCQNYBPKQIH-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000128629842 495126632 /nfs/dbraw/zinc/12/66/32/495126632.db2.gz ZQTODRZMKCIELK-CQSZACIVSA-N 2 1 359.436 3.105 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cccc3c2N=S=N3)CC1 ZINC000123509860 495143907 /nfs/dbraw/zinc/14/39/07/495143907.db2.gz SXPHPDVPDKGHHU-UHFFFAOYSA-N 2 1 361.515 3.405 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000123534703 495147784 /nfs/dbraw/zinc/14/77/84/495147784.db2.gz AWJNTSCLCFSYNH-UHFFFAOYSA-N 2 1 369.456 3.280 20 0 FGADMP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000119511826 495180618 /nfs/dbraw/zinc/18/06/18/495180618.db2.gz MMJBSYGSBKJAQD-KRWDZBQOSA-N 2 1 358.507 3.489 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134888937 495216762 /nfs/dbraw/zinc/21/67/62/495216762.db2.gz CGIFGKQXOYPLJX-WIYYLYMNSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134888937 495216766 /nfs/dbraw/zinc/21/67/66/495216766.db2.gz CGIFGKQXOYPLJX-WIYYLYMNSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134888937 495216769 /nfs/dbraw/zinc/21/67/69/495216769.db2.gz CGIFGKQXOYPLJX-WIYYLYMNSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134888937 495216772 /nfs/dbraw/zinc/21/67/72/495216772.db2.gz CGIFGKQXOYPLJX-WIYYLYMNSA-N 2 1 369.509 3.167 20 0 FGADMP O=C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000134904560 495219628 /nfs/dbraw/zinc/21/96/28/495219628.db2.gz JAQOTVRYELWPCK-WIYYLYMNSA-N 2 1 367.537 3.131 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000104137896 495269562 /nfs/dbraw/zinc/26/95/62/495269562.db2.gz LRVSEOSCGQPDPY-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000135367253 495283596 /nfs/dbraw/zinc/28/35/96/495283596.db2.gz LDNGFKQZRWRKKN-OAQYLSRUSA-N 2 1 357.542 3.074 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000124508093 495298962 /nfs/dbraw/zinc/29/89/62/495298962.db2.gz MTTAVNYRFQFVBB-OAHLLOKOSA-N 2 1 355.473 3.212 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120169221 495320337 /nfs/dbraw/zinc/32/03/37/495320337.db2.gz NKXRQTBVNBVCOM-RBUKOAKNSA-N 2 1 352.482 3.376 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619661 495322306 /nfs/dbraw/zinc/32/23/06/495322306.db2.gz GAJQCNPKTIUNOO-RTBURBONSA-N 2 1 372.557 3.291 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000105093875 495336208 /nfs/dbraw/zinc/33/62/08/495336208.db2.gz LECFXFZGXLZIMN-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000105112971 495337855 /nfs/dbraw/zinc/33/78/55/495337855.db2.gz TZELNWWDHFQUAI-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135767 495346813 /nfs/dbraw/zinc/34/68/13/495346813.db2.gz SMIQQLCUZBINGF-LZWOXQAQSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135767 495346819 /nfs/dbraw/zinc/34/68/19/495346819.db2.gz SMIQQLCUZBINGF-LZWOXQAQSA-N 2 1 351.288 3.489 20 0 FGADMP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2cncs2)CC1 ZINC000136216961 495365322 /nfs/dbraw/zinc/36/53/22/495365322.db2.gz UHDDUEFWNIMEIA-UHFFFAOYSA-N 2 1 370.444 3.204 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000114455403 495376865 /nfs/dbraw/zinc/37/68/65/495376865.db2.gz KOXJBKWSFJRPNG-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2cccc(Cl)c2)CC1 ZINC000114455403 495376866 /nfs/dbraw/zinc/37/68/66/495376866.db2.gz KOXJBKWSFJRPNG-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125088543 495388996 /nfs/dbraw/zinc/38/89/96/495388996.db2.gz KTJOLNVRJOUMEQ-PELRDEGISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000125088543 495388999 /nfs/dbraw/zinc/38/89/99/495388999.db2.gz KTJOLNVRJOUMEQ-PELRDEGISA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130432262 495391336 /nfs/dbraw/zinc/39/13/36/495391336.db2.gz JLDIKXVJKOYZJI-ZDUSSCGKSA-N 2 1 364.877 3.203 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130432262 495391340 /nfs/dbraw/zinc/39/13/40/495391340.db2.gz JLDIKXVJKOYZJI-ZDUSSCGKSA-N 2 1 364.877 3.203 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000130691470 495430063 /nfs/dbraw/zinc/43/00/63/495430063.db2.gz ZUQMPIQCGMJPQX-UHFFFAOYSA-N 2 1 354.498 3.013 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccc(C)cc1)C1CC1 ZINC000130691470 495430069 /nfs/dbraw/zinc/43/00/69/495430069.db2.gz ZUQMPIQCGMJPQX-UHFFFAOYSA-N 2 1 354.498 3.013 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000137492808 495442740 /nfs/dbraw/zinc/44/27/40/495442740.db2.gz COOPANGGSBEXTH-IEBWSBKVSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000137492808 495442745 /nfs/dbraw/zinc/44/27/45/495442745.db2.gz COOPANGGSBEXTH-IEBWSBKVSA-N 2 1 354.498 3.176 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106516761 495459688 /nfs/dbraw/zinc/45/96/88/495459688.db2.gz UGECHXCFYLMHTL-PKOBYXMFSA-N 2 1 374.529 3.123 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000125555581 495462280 /nfs/dbraw/zinc/46/22/80/495462280.db2.gz OZXXYKPVFIITHN-GOSISDBHSA-N 2 1 361.493 3.318 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000125555581 495462285 /nfs/dbraw/zinc/46/22/85/495462285.db2.gz OZXXYKPVFIITHN-GOSISDBHSA-N 2 1 361.493 3.318 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106528721 495463468 /nfs/dbraw/zinc/46/34/68/495463468.db2.gz BFTPHCGZZAQZKM-FQEVSTJZSA-N 2 1 370.541 3.099 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc(N4CCCC4)nc3)CC2)cc1 ZINC000131064187 495487392 /nfs/dbraw/zinc/48/73/92/495487392.db2.gz FEKVTUHHZAPFBZ-UHFFFAOYSA-N 2 1 364.537 3.479 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154286374 495569563 /nfs/dbraw/zinc/56/95/63/495569563.db2.gz NDHWTMYKODPRFV-SFHVURJKSA-N 2 1 358.448 3.415 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000154339137 495585511 /nfs/dbraw/zinc/58/55/11/495585511.db2.gz KKPGVBZNFIAFJI-AZUAARDMSA-N 2 1 357.542 3.230 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000179483413 495609127 /nfs/dbraw/zinc/60/91/27/495609127.db2.gz DKMMZSRHXKSLRP-UXHICEINSA-N 2 1 358.530 3.043 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000179498408 495615383 /nfs/dbraw/zinc/61/53/83/495615383.db2.gz KBGYFLPLTNLKIX-FQEVSTJZSA-N 2 1 356.514 3.069 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1)C(C)C ZINC000179498408 495615389 /nfs/dbraw/zinc/61/53/89/495615389.db2.gz KBGYFLPLTNLKIX-FQEVSTJZSA-N 2 1 356.514 3.069 20 0 FGADMP CC1(C)CC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000182580906 495623041 /nfs/dbraw/zinc/62/30/41/495623041.db2.gz KUONNLJHVYUXPA-LJQANCHMSA-N 2 1 357.542 3.467 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000170872477 495635055 /nfs/dbraw/zinc/63/50/55/495635055.db2.gz BYONFNLXPWUJLS-QFIPXVFZSA-N 2 1 369.553 3.340 20 0 FGADMP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159051007 495646564 /nfs/dbraw/zinc/64/65/64/495646564.db2.gz PAGYDDLZOMVGHJ-NRFANRHFSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662470 495668678 /nfs/dbraw/zinc/66/86/78/495668678.db2.gz PMHBHDDFSJMMFT-BQFCYCMXSA-N 2 1 366.933 3.322 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn3c(cccc3C)n2)CC1 ZINC000179677907 495688112 /nfs/dbraw/zinc/68/81/12/495688112.db2.gz NUIOHHXHTGWAMP-UHFFFAOYSA-N 2 1 358.530 3.213 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000185711389 495691802 /nfs/dbraw/zinc/69/18/02/495691802.db2.gz DLDKSNKGRQTQTN-YQVWRLOYSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000185711389 495691807 /nfs/dbraw/zinc/69/18/07/495691807.db2.gz DLDKSNKGRQTQTN-YQVWRLOYSA-N 2 1 371.525 3.043 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000159305051 495705987 /nfs/dbraw/zinc/70/59/87/495705987.db2.gz QEJIMDXGZCTPNW-HNNXBMFYSA-N 2 1 351.922 3.151 20 0 FGADMP C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753185 495711312 /nfs/dbraw/zinc/71/13/12/495711312.db2.gz VSOHFFBQGVUGLJ-SJORKVTESA-N 2 1 373.545 3.179 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753185 495711318 /nfs/dbraw/zinc/71/13/18/495711318.db2.gz VSOHFFBQGVUGLJ-SJORKVTESA-N 2 1 373.545 3.179 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753185 495711324 /nfs/dbraw/zinc/71/13/24/495711324.db2.gz VSOHFFBQGVUGLJ-SJORKVTESA-N 2 1 373.545 3.179 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185765419 495717279 /nfs/dbraw/zinc/71/72/79/495717279.db2.gz HYBYRCJHHBGCFW-BXWFABGCSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185765419 495717283 /nfs/dbraw/zinc/71/72/83/495717283.db2.gz HYBYRCJHHBGCFW-BXWFABGCSA-N 2 1 371.525 3.459 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182874826 495737383 /nfs/dbraw/zinc/73/73/83/495737383.db2.gz GPGGGJMGDATCJS-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182918176 495756408 /nfs/dbraw/zinc/75/64/08/495756408.db2.gz BGRDTBAYVPUNNM-FHWLQOOXSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182918176 495756414 /nfs/dbraw/zinc/75/64/14/495756414.db2.gz BGRDTBAYVPUNNM-FHWLQOOXSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182918176 495756418 /nfs/dbraw/zinc/75/64/18/495756418.db2.gz BGRDTBAYVPUNNM-FHWLQOOXSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630961 505801874 /nfs/dbraw/zinc/80/18/74/505801874.db2.gz QKBJZEMCRZVTHD-APWZRJJASA-N 2 1 364.493 3.322 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCC(C)(C)C1CCCCC1 ZINC000154982799 495792720 /nfs/dbraw/zinc/79/27/20/495792720.db2.gz QZHALAALGKJDSM-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCC(C)(C)C1CCCCC1 ZINC000154982799 495792727 /nfs/dbraw/zinc/79/27/27/495792727.db2.gz QZHALAALGKJDSM-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000183136220 495849320 /nfs/dbraw/zinc/84/93/20/495849320.db2.gz DJRSXIMGUPQOLB-DNVCBOLYSA-N 2 1 371.506 3.471 20 0 FGADMP CN(C)c1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180107882 495861034 /nfs/dbraw/zinc/86/10/34/495861034.db2.gz KAARZVXKBMXTOM-SEJPIABJSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1ncccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180107882 495861038 /nfs/dbraw/zinc/86/10/38/495861038.db2.gz KAARZVXKBMXTOM-SEJPIABJSA-N 2 1 350.510 3.433 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183187141 495873093 /nfs/dbraw/zinc/87/30/93/495873093.db2.gz ILXRSRDEWYLDFF-LZLYRXPVSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183187141 495873096 /nfs/dbraw/zinc/87/30/96/495873096.db2.gz ILXRSRDEWYLDFF-LZLYRXPVSA-N 2 1 364.555 3.394 20 0 FGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869328 505809140 /nfs/dbraw/zinc/80/91/40/505809140.db2.gz FHCGNGYIXKDGGX-HXUWFJFHSA-N 2 1 351.494 3.420 20 0 FGADMP COc1ncccc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869328 505809144 /nfs/dbraw/zinc/80/91/44/505809144.db2.gz FHCGNGYIXKDGGX-HXUWFJFHSA-N 2 1 351.494 3.420 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171653169 495972771 /nfs/dbraw/zinc/97/27/71/495972771.db2.gz OHJZHQIVDGJHQZ-ROUUACIJSA-N 2 1 352.482 3.001 20 0 FGADMP C[NH+]1CCC([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)CC1 ZINC000177247972 495993617 /nfs/dbraw/zinc/99/36/17/495993617.db2.gz HCZSZRUKYFOLGN-UHFFFAOYSA-N 2 1 356.432 3.437 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000177322426 496017286 /nfs/dbraw/zinc/01/72/86/496017286.db2.gz LNTNPLHDYMPVPY-WMLDXEAASA-N 2 1 355.320 3.337 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000183553927 496029166 /nfs/dbraw/zinc/02/91/66/496029166.db2.gz XLYXNBSKDMBHQQ-PGRDOPGGSA-N 2 1 370.541 3.053 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2C2CCCCC2)C[C@H](C)O1 ZINC000183564889 496032660 /nfs/dbraw/zinc/03/26/60/496032660.db2.gz XUHXRVJVXFONAA-HDICACEKSA-N 2 1 362.562 3.447 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000177473790 496075723 /nfs/dbraw/zinc/07/57/23/496075723.db2.gz KUEMRGBUEXXROX-BVYCBKJFSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000177473790 496075730 /nfs/dbraw/zinc/07/57/30/496075730.db2.gz KUEMRGBUEXXROX-BVYCBKJFSA-N 2 1 365.521 3.459 20 0 FGADMP CCOC(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000152309925 496111901 /nfs/dbraw/zinc/11/19/01/496111901.db2.gz GOZAPRZHRYXTST-SEJPIABJSA-N 2 1 371.525 3.393 20 0 FGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)n1 ZINC000152383244 496134051 /nfs/dbraw/zinc/13/40/51/496134051.db2.gz WZVSLGXZAYABOZ-HRCADAONSA-N 2 1 350.576 3.376 20 0 FGADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152456118 496157332 /nfs/dbraw/zinc/15/73/32/496157332.db2.gz RSLOLIGETOVTAL-OAHLLOKOSA-N 2 1 361.917 3.019 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000183914243 496159278 /nfs/dbraw/zinc/15/92/78/496159278.db2.gz YMLGNGAEUSSFLZ-NRFANRHFSA-N 2 1 359.558 3.380 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180829674 496162685 /nfs/dbraw/zinc/16/26/85/496162685.db2.gz URPBMKPNDKOLID-HIFRSBDPSA-N 2 1 368.319 3.158 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000577958013 505827511 /nfs/dbraw/zinc/82/75/11/505827511.db2.gz PYHNHPBLYLGTFJ-UHFFFAOYSA-N 2 1 360.498 3.300 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000177724916 496173639 /nfs/dbraw/zinc/17/36/39/496173639.db2.gz JNLFGFWERRPGHH-SFHVURJKSA-N 2 1 370.541 3.130 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000177724916 496173643 /nfs/dbraw/zinc/17/36/43/496173643.db2.gz JNLFGFWERRPGHH-SFHVURJKSA-N 2 1 370.541 3.130 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000161629663 496211121 /nfs/dbraw/zinc/21/11/21/496211121.db2.gz WOALXMLFMNDIBY-AEFFLSMTSA-N 2 1 372.557 3.258 20 0 FGADMP Cc1cc(C)n(CCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000156365725 496225103 /nfs/dbraw/zinc/22/51/03/496225103.db2.gz RHAPHIIJZDXNCE-UHFFFAOYSA-N 2 1 358.505 3.326 20 0 FGADMP O=C(C1CC[NH+](CCC[NH+]2CCCCC2)CC1)N1CCc2ccccc21 ZINC000161726907 496228937 /nfs/dbraw/zinc/22/89/37/496228937.db2.gz BCFRYYPMHUPJNM-UHFFFAOYSA-N 2 1 355.526 3.164 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)CC2 ZINC000152832630 496270356 /nfs/dbraw/zinc/27/03/56/496270356.db2.gz MUFPKWYNHMXPBX-QFIPXVFZSA-N 2 1 351.494 3.374 20 0 FGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184189308 496278738 /nfs/dbraw/zinc/27/87/38/496278738.db2.gz JORZDQKZYOTEEG-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](C3CCCC3)CC2)c1 ZINC000172572120 496344903 /nfs/dbraw/zinc/34/49/03/496344903.db2.gz PNWDSZIBJHNKPO-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)c1 ZINC000172572120 496344909 /nfs/dbraw/zinc/34/49/09/496344909.db2.gz PNWDSZIBJHNKPO-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000172572120 496344915 /nfs/dbraw/zinc/34/49/15/496344915.db2.gz PNWDSZIBJHNKPO-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000172623562 496366671 /nfs/dbraw/zinc/36/66/71/496366671.db2.gz PFKJMTWISFEFOO-DLBZAZTESA-N 2 1 360.546 3.180 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](C)c3ccccc3)CC2)cc1 ZINC000181376002 496371816 /nfs/dbraw/zinc/37/18/16/496371816.db2.gz NNXPVRLVCQSFCW-FQEVSTJZSA-N 2 1 365.521 3.380 20 0 FGADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156975863 496377649 /nfs/dbraw/zinc/37/76/49/496377649.db2.gz DIAYOJOJEGRFMR-APWZRJJASA-N 2 1 369.509 3.390 20 0 FGADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156975863 496377655 /nfs/dbraw/zinc/37/76/55/496377655.db2.gz DIAYOJOJEGRFMR-APWZRJJASA-N 2 1 369.509 3.390 20 0 FGADMP CC(C)(C)C1CCC(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000578022160 505843053 /nfs/dbraw/zinc/84/30/53/505843053.db2.gz SFRNMCRGBLFAHS-PCODVIEZSA-N 2 1 363.590 3.419 20 0 FGADMP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000178414626 496448165 /nfs/dbraw/zinc/44/81/65/496448165.db2.gz LRCQVPKZCBHNHZ-OAHLLOKOSA-N 2 1 358.555 3.358 20 0 FGADMP CCc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000157299867 496450379 /nfs/dbraw/zinc/45/03/79/496450379.db2.gz CXXDYHLMZLHPSY-IBGZPJMESA-N 2 1 361.530 3.360 20 0 FGADMP CCc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000157299867 496450383 /nfs/dbraw/zinc/45/03/83/496450383.db2.gz CXXDYHLMZLHPSY-IBGZPJMESA-N 2 1 361.530 3.360 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000172864188 496465956 /nfs/dbraw/zinc/46/59/56/496465956.db2.gz YMHGHIUIAAFTKL-HKUYNNGSSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178521703 496486045 /nfs/dbraw/zinc/48/60/45/496486045.db2.gz MLVCRILOOZCYDV-AWEZNQCLSA-N 2 1 360.527 3.011 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4ccccc4o3)CC2)CC1 ZINC000178532223 496489646 /nfs/dbraw/zinc/48/96/46/496489646.db2.gz ROBLYISSYCRCBW-UHFFFAOYSA-N 2 1 369.509 3.199 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157502504 496489609 /nfs/dbraw/zinc/48/96/09/496489609.db2.gz XRXAIVCRRGVYPV-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317649 496498238 /nfs/dbraw/zinc/49/82/38/496498238.db2.gz SWXYOGLPPYDXCU-INIZCTEOSA-N 2 1 356.436 3.097 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317649 496498241 /nfs/dbraw/zinc/49/82/41/496498241.db2.gz SWXYOGLPPYDXCU-INIZCTEOSA-N 2 1 356.436 3.097 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317649 496498247 /nfs/dbraw/zinc/49/82/47/496498247.db2.gz SWXYOGLPPYDXCU-INIZCTEOSA-N 2 1 356.436 3.097 20 0 FGADMP Cc1cc(NC(=O)CC[NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000184747406 496516801 /nfs/dbraw/zinc/51/68/01/496516801.db2.gz CHBYDYVLUIBSCD-GWTOYCKXSA-N 2 1 370.497 3.058 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000178637475 496525668 /nfs/dbraw/zinc/52/56/68/496525668.db2.gz NWOGJVNOEMMKLR-INIZCTEOSA-N 2 1 369.490 3.305 20 0 FGADMP C[N@@H+](CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000157815150 496561501 /nfs/dbraw/zinc/56/15/01/496561501.db2.gz UJGGSWLDTXGZBL-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP CCC[N@@H+](CC)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000574781443 505854496 /nfs/dbraw/zinc/85/44/96/505854496.db2.gz YJZCVKFGHHSMNL-FQEVSTJZSA-N 2 1 361.530 3.070 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000571959907 505855249 /nfs/dbraw/zinc/85/52/49/505855249.db2.gz HUPWSZMXRNRGDW-QGZVFWFLSA-N 2 1 355.473 3.136 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000153909468 496621688 /nfs/dbraw/zinc/62/16/88/496621688.db2.gz NIQZCMLZNVRRFC-IAGOWNOFSA-N 2 1 367.484 3.278 20 0 FGADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178958906 496630044 /nfs/dbraw/zinc/63/00/44/496630044.db2.gz HBXBQMUIFYJOPZ-MRXNPFEDSA-N 2 1 356.297 3.396 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000165212527 496652063 /nfs/dbraw/zinc/65/20/63/496652063.db2.gz WRTUDVSLXBTRDW-KRWDZBQOSA-N 2 1 371.447 3.159 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000179090785 496671547 /nfs/dbraw/zinc/67/15/47/496671547.db2.gz QGWKHRDSVPNGHR-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000179090785 496671550 /nfs/dbraw/zinc/67/15/50/496671550.db2.gz QGWKHRDSVPNGHR-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000179090785 496671559 /nfs/dbraw/zinc/67/15/59/496671559.db2.gz QGWKHRDSVPNGHR-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000173391466 496672805 /nfs/dbraw/zinc/67/28/05/496672805.db2.gz GMPYKDNIURNOAN-HNNXBMFYSA-N 2 1 354.336 3.127 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414053 496682919 /nfs/dbraw/zinc/68/29/19/496682919.db2.gz XWQOPLREEPZNLB-RLLQIKCJSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000182161810 496692916 /nfs/dbraw/zinc/69/29/16/496692916.db2.gz WYLSDCXZSJXTIA-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000173436584 496693009 /nfs/dbraw/zinc/69/30/09/496693009.db2.gz FAHPWPHSZDAGHI-HXUWFJFHSA-N 2 1 369.513 3.108 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882047 505860129 /nfs/dbraw/zinc/86/01/29/505860129.db2.gz JAIOHGXTFFMBHQ-LEWJYISDSA-N 2 1 368.525 3.355 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1F ZINC000182269903 496723866 /nfs/dbraw/zinc/72/38/66/496723866.db2.gz NOSQITMXGSLBEC-KXBFYZLASA-N 2 1 358.457 3.252 20 0 FGADMP C[NH+](C)[C@@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893251 505862760 /nfs/dbraw/zinc/86/27/60/505862760.db2.gz ZFYODAJTLKPZQE-TZIWHRDSSA-N 2 1 359.583 3.211 20 0 FGADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)([NH+](C)C)C1 ZINC000246963596 496737171 /nfs/dbraw/zinc/73/71/71/496737171.db2.gz ISYUDJDHXJYBNZ-CZAYHTPWSA-N 2 1 358.574 3.392 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991282 496745586 /nfs/dbraw/zinc/74/55/86/496745586.db2.gz KELIKHPMHKMVFT-SWLSCSKDSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991282 496745589 /nfs/dbraw/zinc/74/55/89/496745589.db2.gz KELIKHPMHKMVFT-SWLSCSKDSA-N 2 1 369.303 3.340 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991282 496745593 /nfs/dbraw/zinc/74/55/93/496745593.db2.gz KELIKHPMHKMVFT-SWLSCSKDSA-N 2 1 369.303 3.340 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991282 496745596 /nfs/dbraw/zinc/74/55/96/496745596.db2.gz KELIKHPMHKMVFT-SWLSCSKDSA-N 2 1 369.303 3.340 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000246999064 496747378 /nfs/dbraw/zinc/74/73/78/496747378.db2.gz KUEMRGBUEXXROX-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000246999064 496747379 /nfs/dbraw/zinc/74/73/79/496747379.db2.gz KUEMRGBUEXXROX-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000273254294 496754269 /nfs/dbraw/zinc/75/42/69/496754269.db2.gz WQPYKRMOAXUPLL-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP c1cc([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000247038452 496760344 /nfs/dbraw/zinc/76/03/44/496760344.db2.gz PRDBDSPNYDBQTC-RTBURBONSA-N 2 1 370.545 3.362 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cn(C(C)(C)C)nn3)cc2)CC1 ZINC000191438779 496762283 /nfs/dbraw/zinc/76/22/83/496762283.db2.gz DLTGJCNQWVGRNS-UHFFFAOYSA-N 2 1 370.545 3.423 20 0 FGADMP Cc1ccc([C@H](C)NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000247049674 496762883 /nfs/dbraw/zinc/76/28/83/496762883.db2.gz ZGEFCTXOGDKZFP-VCOUNFBDSA-N 2 1 369.553 3.429 20 0 FGADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(Cc2ccccc2)no1 ZINC000191473936 496774622 /nfs/dbraw/zinc/77/46/22/496774622.db2.gz MWXJDVBBTXQFDF-UHFFFAOYSA-N 2 1 353.470 3.332 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H](C)C1 ZINC000247140742 496791933 /nfs/dbraw/zinc/79/19/33/496791933.db2.gz SHWBERJFESXBDR-GHTZIAJQSA-N 2 1 369.509 3.359 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H](C)C1 ZINC000247140742 496791936 /nfs/dbraw/zinc/79/19/36/496791936.db2.gz SHWBERJFESXBDR-GHTZIAJQSA-N 2 1 369.509 3.359 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000191518918 496794558 /nfs/dbraw/zinc/79/45/58/496794558.db2.gz NIKUYAIHVHUYST-UHFFFAOYSA-N 2 1 368.934 3.189 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1ccc(Cl)s1 ZINC000191518918 496794563 /nfs/dbraw/zinc/79/45/63/496794563.db2.gz NIKUYAIHVHUYST-UHFFFAOYSA-N 2 1 368.934 3.189 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000247188644 496801797 /nfs/dbraw/zinc/80/17/97/496801797.db2.gz ZUJGPKCGSQKYOT-YAJHFMINSA-N 2 1 365.949 3.032 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1OC(F)F ZINC000268856053 496805383 /nfs/dbraw/zinc/80/53/83/496805383.db2.gz CWSKMYZFACVYML-GDBMZVCRSA-N 2 1 372.456 3.184 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000268864061 496807755 /nfs/dbraw/zinc/80/77/55/496807755.db2.gz KBMQGPUXMLGCLB-HZPDHXFCSA-N 2 1 352.486 3.376 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@@H+]1C ZINC000268865445 496809122 /nfs/dbraw/zinc/80/91/22/496809122.db2.gz HGKPLZJDMSLJBW-RBSFLKMASA-N 2 1 357.420 3.236 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@H+]1C ZINC000268865445 496809127 /nfs/dbraw/zinc/80/91/27/496809127.db2.gz HGKPLZJDMSLJBW-RBSFLKMASA-N 2 1 357.420 3.236 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)nc12 ZINC000273492686 496821685 /nfs/dbraw/zinc/82/16/85/496821685.db2.gz XDVNDQODGWXBFI-UKRRQHHQSA-N 2 1 365.319 3.020 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000191594297 496825231 /nfs/dbraw/zinc/82/52/31/496825231.db2.gz MJBKJFMGEKPMIT-HSZRJFAPSA-N 2 1 352.522 3.195 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000572009621 505868558 /nfs/dbraw/zinc/86/85/58/505868558.db2.gz LWXFUXLYLSMOMU-MSOLQXFVSA-N 2 1 367.497 3.128 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247324563 496835411 /nfs/dbraw/zinc/83/54/11/496835411.db2.gz LTDOROZUKUZTET-MOPGFXCFSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961827 496835834 /nfs/dbraw/zinc/83/58/34/496835834.db2.gz XTCPJGYRICDQOZ-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961827 496835836 /nfs/dbraw/zinc/83/58/36/496835836.db2.gz XTCPJGYRICDQOZ-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268976383 496841036 /nfs/dbraw/zinc/84/10/36/496841036.db2.gz BSUNOSSQXKVJCB-LSWJPFSZSA-N 2 1 371.569 3.130 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277655041 496842407 /nfs/dbraw/zinc/84/24/07/496842407.db2.gz ZIOOLZIVPUZFSH-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277709115 496860936 /nfs/dbraw/zinc/86/09/36/496860936.db2.gz IOAFVPHPRSYXER-KRWDZBQOSA-N 2 1 356.514 3.080 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277709115 496860940 /nfs/dbraw/zinc/86/09/40/496860940.db2.gz IOAFVPHPRSYXER-KRWDZBQOSA-N 2 1 356.514 3.080 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574878188 505874327 /nfs/dbraw/zinc/87/43/27/505874327.db2.gz XNJVKDCOYPNYEE-JSGCOSHPSA-N 2 1 353.869 3.128 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247959968 496933413 /nfs/dbraw/zinc/93/34/13/496933413.db2.gz GDFMYPHDRIQCJZ-YJBOKZPZSA-N 2 1 372.431 3.399 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)CC2)cs1 ZINC000247979352 496937591 /nfs/dbraw/zinc/93/75/91/496937591.db2.gz IETMZUHPKHEASP-APWZRJJASA-N 2 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)CC2)cs1 ZINC000247979352 496937592 /nfs/dbraw/zinc/93/75/92/496937592.db2.gz IETMZUHPKHEASP-APWZRJJASA-N 3 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)CC2)cs1 ZINC000247979352 496937593 /nfs/dbraw/zinc/93/75/93/496937593.db2.gz IETMZUHPKHEASP-APWZRJJASA-N 3 1 364.603 3.237 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000580955221 505876644 /nfs/dbraw/zinc/87/66/44/505876644.db2.gz RJFVSNPPSFGEAA-MDZRGWNJSA-N 2 1 372.538 3.015 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000580955221 505876649 /nfs/dbraw/zinc/87/66/49/505876649.db2.gz RJFVSNPPSFGEAA-MDZRGWNJSA-N 2 1 372.538 3.015 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000248458462 497018335 /nfs/dbraw/zinc/01/83/35/497018335.db2.gz USIUJNQYVQCUAA-UTKZUKDTSA-N 2 1 356.514 3.272 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543550 497034754 /nfs/dbraw/zinc/03/47/54/497034754.db2.gz CNXCTTLTEWITGR-IRFCIJBXSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584265 497048485 /nfs/dbraw/zinc/04/84/85/497048485.db2.gz PMHBHDDFSJMMFT-LZLYRXPVSA-N 2 1 366.933 3.322 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)SCC2 ZINC000274326872 497071753 /nfs/dbraw/zinc/07/17/53/497071753.db2.gz ABRPQMNFCSLGMO-VQIMIIECSA-N 2 1 356.539 3.032 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248788005 497104766 /nfs/dbraw/zinc/10/47/66/497104766.db2.gz IMXKNWNOYMPLNX-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000192441073 497115843 /nfs/dbraw/zinc/11/58/43/497115843.db2.gz AWPQNVSQXJSJAZ-GTPINHCMSA-N 2 1 350.528 3.282 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000192441073 497115846 /nfs/dbraw/zinc/11/58/46/497115846.db2.gz AWPQNVSQXJSJAZ-GTPINHCMSA-N 2 1 350.528 3.282 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000236660180 497128654 /nfs/dbraw/zinc/12/86/54/497128654.db2.gz XVIZDCKCHBBOCX-DWLFOUALSA-N 2 1 371.569 3.211 20 0 FGADMP CCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236744905 497140492 /nfs/dbraw/zinc/14/04/92/497140492.db2.gz RFLPHAZBGKUGLE-RTWAWAEBSA-N 2 1 369.553 3.279 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248974378 497142735 /nfs/dbraw/zinc/14/27/35/497142735.db2.gz HHBAEKFGIDIMMO-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000278538599 497147957 /nfs/dbraw/zinc/14/79/57/497147957.db2.gz NXDKMBZLLHQDHW-MSOLQXFVSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC000278538599 497147963 /nfs/dbraw/zinc/14/79/63/497147963.db2.gz NXDKMBZLLHQDHW-MSOLQXFVSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000192566714 497151272 /nfs/dbraw/zinc/15/12/72/497151272.db2.gz GLFOXQFKGOBHQS-QGZVFWFLSA-N 2 1 354.498 3.396 20 0 FGADMP C[C@H]([NH2+]CCc1cn2c(n1)SCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763089 497159820 /nfs/dbraw/zinc/15/98/20/497159820.db2.gz KQRDDBCHZZVSJI-WMZOPIPTSA-N 2 1 356.539 3.032 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000249099441 497166615 /nfs/dbraw/zinc/16/66/15/497166615.db2.gz NHYWMCGDHYYZFI-AYWYSENESA-N 2 1 358.526 3.466 20 0 FGADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000237058744 497186409 /nfs/dbraw/zinc/18/64/09/497186409.db2.gz WMNUGIDHBFTEEG-SUMWQHHRSA-N 2 1 371.447 3.159 20 0 FGADMP O[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282554 497187190 /nfs/dbraw/zinc/18/71/90/497187190.db2.gz LCDLHQPWJKXRMX-BZSNNMDCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282554 497187194 /nfs/dbraw/zinc/18/71/94/497187194.db2.gz LCDLHQPWJKXRMX-BZSNNMDCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282554 497187197 /nfs/dbraw/zinc/18/71/97/497187197.db2.gz LCDLHQPWJKXRMX-BZSNNMDCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282554 497187202 /nfs/dbraw/zinc/18/72/02/497187202.db2.gz LCDLHQPWJKXRMX-BZSNNMDCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282554 497187205 /nfs/dbraw/zinc/18/72/05/497187205.db2.gz LCDLHQPWJKXRMX-BZSNNMDCSA-N 2 1 356.432 3.286 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192705866 497190437 /nfs/dbraw/zinc/19/04/37/497190437.db2.gz SHWDABFBXAVPPO-HSZRJFAPSA-N 2 1 364.537 3.471 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935612 497201562 /nfs/dbraw/zinc/20/15/62/497201562.db2.gz RWHOBDMSBZTCOJ-UHOSZYNNSA-N 2 1 369.475 3.371 20 0 FGADMP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](c2nccs2)c2ccccc2)CC1 ZINC000192765619 497208029 /nfs/dbraw/zinc/20/80/29/497208029.db2.gz UPKOIXMPTOICLT-LJQANCHMSA-N 2 1 358.555 3.238 20 0 FGADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192781032 497212573 /nfs/dbraw/zinc/21/25/73/497212573.db2.gz JPNOEFOWHYHIMQ-HXUWFJFHSA-N 2 1 361.574 3.222 20 0 FGADMP C[C@@H](c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237475305 497242182 /nfs/dbraw/zinc/24/21/82/497242182.db2.gz VSIFVZUHQOVERO-JXFKEZNVSA-N 2 1 353.466 3.108 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000249759866 497243852 /nfs/dbraw/zinc/24/38/52/497243852.db2.gz FXWKIGPZYNSPGJ-MOPGFXCFSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)on1 ZINC000249769149 497246207 /nfs/dbraw/zinc/24/62/07/497246207.db2.gz RQJVQXYWRYOECI-IAGOWNOFSA-N 2 1 370.497 3.474 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)on1 ZINC000249769149 497246212 /nfs/dbraw/zinc/24/62/12/497246212.db2.gz RQJVQXYWRYOECI-IAGOWNOFSA-N 2 1 370.497 3.474 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924050 497246953 /nfs/dbraw/zinc/24/69/53/497246953.db2.gz OVBUNKMTJZDBAA-NRFANRHFSA-N 2 1 361.493 3.187 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1OC ZINC000192922130 497247071 /nfs/dbraw/zinc/24/70/71/497247071.db2.gz PVNKFCPJUAGDJZ-SFHVURJKSA-N 2 1 370.493 3.324 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117393 505894331 /nfs/dbraw/zinc/89/43/31/505894331.db2.gz HPXRXBAAPUHKRO-RTWAWAEBSA-N 2 1 357.542 3.379 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872901 497275778 /nfs/dbraw/zinc/27/57/78/497275778.db2.gz XOSCWQMDAUDXDH-CTNGQTDRSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000252538034 497310125 /nfs/dbraw/zinc/31/01/25/497310125.db2.gz BXVOPBWGJKNYBH-VQTJNVASSA-N 2 1 366.594 3.116 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000252645865 497314041 /nfs/dbraw/zinc/31/40/41/497314041.db2.gz CGPFEWXSQWOYOO-UNMCSNQZSA-N 2 1 360.542 3.248 20 0 FGADMP [NH3+][C@@H](CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000237923566 497315205 /nfs/dbraw/zinc/31/52/05/497315205.db2.gz AVGYTSSUBAYGIV-NRFANRHFSA-N 2 1 369.484 3.340 20 0 FGADMP [NH3+][C@@H](CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000237923566 497315209 /nfs/dbraw/zinc/31/52/09/497315209.db2.gz AVGYTSSUBAYGIV-NRFANRHFSA-N 2 1 369.484 3.340 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000271440452 497349761 /nfs/dbraw/zinc/34/97/61/497349761.db2.gz CDVKVMYMVBMRED-TWHAJKEOSA-N 2 1 368.521 3.114 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000271440452 497349764 /nfs/dbraw/zinc/34/97/64/497349764.db2.gz CDVKVMYMVBMRED-TWHAJKEOSA-N 2 1 368.521 3.114 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000271485107 497360826 /nfs/dbraw/zinc/36/08/26/497360826.db2.gz JPNSUTTZTCLLQE-BUKVSMQUSA-N 2 1 365.477 3.316 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000255958575 497381749 /nfs/dbraw/zinc/38/17/49/497381749.db2.gz GXRXXRZOSGAOMF-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275634686 497389373 /nfs/dbraw/zinc/38/93/73/497389373.db2.gz SOFBXTPQUQGEQK-PBASOCQRSA-N 2 1 368.525 3.376 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275634686 497389376 /nfs/dbraw/zinc/38/93/76/497389376.db2.gz SOFBXTPQUQGEQK-PBASOCQRSA-N 2 1 368.525 3.376 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000275698417 497406767 /nfs/dbraw/zinc/40/67/67/497406767.db2.gz SFNFJSSLZJOXNF-NRFANRHFSA-N 2 1 351.494 3.394 20 0 FGADMP C[C@H](CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000261575359 497415748 /nfs/dbraw/zinc/41/57/48/497415748.db2.gz BNELUSGHNHJGRL-UKAVVXHISA-N 2 1 357.542 3.039 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261597121 497416095 /nfs/dbraw/zinc/41/60/95/497416095.db2.gz ACGFGRHLQROYOI-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261597121 497416096 /nfs/dbraw/zinc/41/60/96/497416096.db2.gz ACGFGRHLQROYOI-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000245466351 497420283 /nfs/dbraw/zinc/42/02/83/497420283.db2.gz RDIKAWWXRGUYSO-LMMKCTJWSA-N 2 1 364.530 3.491 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CCOc3ccccc3Br)CC[C@H]21 ZINC000245512946 497436345 /nfs/dbraw/zinc/43/63/45/497436345.db2.gz BLSWXNLJXFANJM-GDBMZVCRSA-N 2 1 353.304 3.244 20 0 FGADMP CN(CC[N@H+](C)Cc1cnc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC000271750070 497438008 /nfs/dbraw/zinc/43/80/08/497438008.db2.gz YHQKVCPNSMJVLX-UHFFFAOYSA-N 2 1 358.555 3.268 20 0 FGADMP CN(CC[N@@H+](C)Cc1cnc(-c2ccccc2)s1)C1CC[NH+](C)CC1 ZINC000271750070 497438013 /nfs/dbraw/zinc/43/80/13/497438013.db2.gz YHQKVCPNSMJVLX-UHFFFAOYSA-N 2 1 358.555 3.268 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261772478 497447858 /nfs/dbraw/zinc/44/78/58/497447858.db2.gz XAZQDBXMWRGOEU-CJNGLKHVSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261772478 497447864 /nfs/dbraw/zinc/44/78/64/497447864.db2.gz XAZQDBXMWRGOEU-CJNGLKHVSA-N 2 1 370.324 3.074 20 0 FGADMP CN(C(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)[C@H]1CCCc2ccccc21 ZINC000266936386 497450089 /nfs/dbraw/zinc/45/00/89/497450089.db2.gz PUMCJHKRNKPIEO-MJGOQNOKSA-N 2 1 352.482 3.125 20 0 FGADMP CN(C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)[C@H]1CCCc2ccccc21 ZINC000266936386 497450091 /nfs/dbraw/zinc/45/00/91/497450091.db2.gz PUMCJHKRNKPIEO-MJGOQNOKSA-N 2 1 352.482 3.125 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000245595735 497468915 /nfs/dbraw/zinc/46/89/15/497468915.db2.gz BTWJFCHXTIWBPA-BRWVUGGUSA-N 2 1 364.559 3.009 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000245607343 497471342 /nfs/dbraw/zinc/47/13/42/497471342.db2.gz APLNWQAHUUAZEA-NRSPTQNISA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000245607343 497471344 /nfs/dbraw/zinc/47/13/44/497471344.db2.gz APLNWQAHUUAZEA-NRSPTQNISA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000245617202 497475456 /nfs/dbraw/zinc/47/54/56/497475456.db2.gz MBLYMNSVTXMTRA-XXBNENTESA-N 2 1 367.537 3.208 20 0 FGADMP C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261966814 497483412 /nfs/dbraw/zinc/48/34/12/497483412.db2.gz AXQUUYUONHIPPG-JIQFCALJSA-N 2 1 369.553 3.167 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261960554 497483966 /nfs/dbraw/zinc/48/39/66/497483966.db2.gz RTCSPBHOJPFWLJ-FXAWDEMLSA-N 2 1 355.526 3.067 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000271937404 497492722 /nfs/dbraw/zinc/49/27/22/497492722.db2.gz NLGVWEHQFIQTLB-UGKGYDQZSA-N 2 1 359.558 3.382 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000262082503 497506076 /nfs/dbraw/zinc/50/60/76/497506076.db2.gz QQHGPBGCEZMYMP-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000262082503 497506083 /nfs/dbraw/zinc/50/60/83/497506083.db2.gz QQHGPBGCEZMYMP-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP N[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1c1ccccc1 ZINC000262092487 497506968 /nfs/dbraw/zinc/50/69/68/497506968.db2.gz YRLPGBZSVRYXSO-ZWKOTPCHSA-N 2 1 368.868 3.359 20 0 FGADMP CC(C)C[NH+]1CCO[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767651 497533958 /nfs/dbraw/zinc/53/39/58/497533958.db2.gz WQHANESJGAKVSA-BXXSPATCSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767651 497533962 /nfs/dbraw/zinc/53/39/62/497533962.db2.gz WQHANESJGAKVSA-BXXSPATCSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767651 497533967 /nfs/dbraw/zinc/53/39/67/497533967.db2.gz WQHANESJGAKVSA-BXXSPATCSA-N 2 1 371.569 3.128 20 0 FGADMP Cc1nc2ccccc2n1C1CCN(C(=O)c2cnccc2N(C)C)CC1 ZINC000279784747 497540678 /nfs/dbraw/zinc/54/06/78/497540678.db2.gz JGOJENPZSCVEPJ-UHFFFAOYSA-N 2 1 363.465 3.283 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)CC1 ZINC000276305899 497541210 /nfs/dbraw/zinc/54/12/10/497541210.db2.gz KYSSMUDLATWSGF-NRFANRHFSA-N 2 1 369.557 3.126 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000245923951 497572466 /nfs/dbraw/zinc/57/24/66/497572466.db2.gz HJUBYRLHBXQXTD-DENIHFKCSA-N 2 1 359.558 3.200 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000276453227 497578115 /nfs/dbraw/zinc/57/81/15/497578115.db2.gz LXJFZBUIBZDMHA-LEWJYISDSA-N 2 1 366.509 3.358 20 0 FGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000194169346 497592504 /nfs/dbraw/zinc/59/25/04/497592504.db2.gz BLOCTZJDGSQMTG-SFTDATJTSA-N 2 1 374.912 3.384 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657852 497593212 /nfs/dbraw/zinc/59/32/12/497593212.db2.gz VRIZSFKEYWYDGX-PZJWPPBQSA-N 2 1 371.569 3.383 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131329 505916864 /nfs/dbraw/zinc/91/68/64/505916864.db2.gz PAWUFWXDNPMCEU-SFHVURJKSA-N 2 1 355.457 3.386 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131329 505916867 /nfs/dbraw/zinc/91/68/67/505916867.db2.gz PAWUFWXDNPMCEU-SFHVURJKSA-N 2 1 355.457 3.386 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276579044 497605067 /nfs/dbraw/zinc/60/50/67/497605067.db2.gz LJQKDUORPUFIJM-XHAMACDHSA-N 2 1 362.836 3.025 20 0 FGADMP CN1CC[C@@H](CNC(=O)C=Cc2c[nH]cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276579044 497605071 /nfs/dbraw/zinc/60/50/71/497605071.db2.gz LJQKDUORPUFIJM-XHAMACDHSA-N 2 1 362.836 3.025 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000578334566 505917327 /nfs/dbraw/zinc/91/73/27/505917327.db2.gz IBQNWUSTRLDVJJ-MMKMLUHNSA-N 2 1 372.557 3.198 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000578334565 505917349 /nfs/dbraw/zinc/91/73/49/505917349.db2.gz IBQNWUSTRLDVJJ-JYRKZWEQSA-N 2 1 372.557 3.198 20 0 FGADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272390034 497616013 /nfs/dbraw/zinc/61/60/13/497616013.db2.gz ISKBOIWIFNERMF-PZJWPPBQSA-N 2 1 370.541 3.273 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272463084 497634622 /nfs/dbraw/zinc/63/46/22/497634622.db2.gz KPEAEMZLYSJHTE-DYESRHJHSA-N 2 1 351.494 3.046 20 0 FGADMP C[C@H](NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272550643 497658591 /nfs/dbraw/zinc/65/85/91/497658591.db2.gz FENQLWKXDRZVPL-RBBKRZOGSA-N 2 1 371.569 3.132 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557264 497662064 /nfs/dbraw/zinc/66/20/64/497662064.db2.gz TZLBUWSBPRRTBG-PIPMEXSNSA-N 2 1 354.494 3.229 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000246222154 497666364 /nfs/dbraw/zinc/66/63/64/497666364.db2.gz PDEZOIGFJQAKLE-FPOVZHCZSA-N 2 1 359.558 3.206 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000246232673 497669769 /nfs/dbraw/zinc/66/97/69/497669769.db2.gz QKSANHOUPMHWOI-QRVBRYPASA-N 2 1 357.542 3.407 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cc2)C1 ZINC000263122456 497710799 /nfs/dbraw/zinc/71/07/99/497710799.db2.gz BAWCILLNFXKSPI-PBEJRMEISA-N 2 1 359.514 3.253 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246394816 497719267 /nfs/dbraw/zinc/71/92/67/497719267.db2.gz LDQVKMRCXPESQF-CVEARBPZSA-N 2 1 370.534 3.248 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246394816 497719270 /nfs/dbraw/zinc/71/92/70/497719270.db2.gz LDQVKMRCXPESQF-CVEARBPZSA-N 2 1 370.534 3.248 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246427049 497731090 /nfs/dbraw/zinc/73/10/90/497731090.db2.gz MHITVUGLDPKZFK-ZRNYENFQSA-N 2 1 366.594 3.116 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246427023 497731135 /nfs/dbraw/zinc/73/11/35/497731135.db2.gz MHITVUGLDPKZFK-WTGUMLROSA-N 2 1 366.594 3.116 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000246430618 497732693 /nfs/dbraw/zinc/73/26/93/497732693.db2.gz MOUPDWGPUZYMPJ-MKXGPGLRSA-N 2 1 366.594 3.115 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246444860 497736382 /nfs/dbraw/zinc/73/63/82/497736382.db2.gz UINAKJNJJNZVTJ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246444860 497736387 /nfs/dbraw/zinc/73/63/87/497736387.db2.gz UINAKJNJJNZVTJ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246444860 497736390 /nfs/dbraw/zinc/73/63/90/497736390.db2.gz UINAKJNJJNZVTJ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263281780 497748498 /nfs/dbraw/zinc/74/84/98/497748498.db2.gz UJSBWRCTYZCJTD-ZNLUXHQJSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)CC2 ZINC000246533975 497766514 /nfs/dbraw/zinc/76/65/14/497766514.db2.gz XWRSUFJVMURFEX-NRSPTQNISA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000246533975 497766517 /nfs/dbraw/zinc/76/65/17/497766517.db2.gz XWRSUFJVMURFEX-NRSPTQNISA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000246533975 497766518 /nfs/dbraw/zinc/76/65/18/497766518.db2.gz XWRSUFJVMURFEX-NRSPTQNISA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246537518 497768572 /nfs/dbraw/zinc/76/85/72/497768572.db2.gz XEDRRHBLOWXAAE-IXDOHACOSA-N 2 1 361.555 3.435 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3nccn3-c3ccccc3)CC2)nc(C)[nH+]1 ZINC000191292327 497771896 /nfs/dbraw/zinc/77/18/96/497771896.db2.gz LVJFFLRUBLOQQS-UHFFFAOYSA-N 2 1 362.481 3.038 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)[C@H]1c1cccs1 ZINC000246729291 497805111 /nfs/dbraw/zinc/80/51/11/497805111.db2.gz YDVQGKHRZROMCK-UXPWSPDFSA-N 2 1 369.534 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCc2csc([C@@H](C)OC)n2)[C@@H](C)C1 ZINC000246886891 497818669 /nfs/dbraw/zinc/81/86/69/497818669.db2.gz DRFBTPKVHPCAGV-UXLLHSPISA-N 2 1 355.548 3.077 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000246924735 497820407 /nfs/dbraw/zinc/82/04/07/497820407.db2.gz GQCIQDHXRUBPRY-FGTMMUONSA-N 2 1 362.514 3.388 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H]1C=CCCC1 ZINC000364214907 497843699 /nfs/dbraw/zinc/84/36/99/497843699.db2.gz NLRDJXXSIXVXSX-HXUWFJFHSA-N 2 1 361.574 3.388 20 0 FGADMP C[N@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295993761 497881909 /nfs/dbraw/zinc/88/19/09/497881909.db2.gz KINUKPMXQHALNU-YOFSQIOKSA-N 2 1 367.493 3.429 20 0 FGADMP C[N@@H+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295993761 497881915 /nfs/dbraw/zinc/88/19/15/497881915.db2.gz KINUKPMXQHALNU-YOFSQIOKSA-N 2 1 367.493 3.429 20 0 FGADMP C[NH+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295993761 497881922 /nfs/dbraw/zinc/88/19/22/497881922.db2.gz KINUKPMXQHALNU-YOFSQIOKSA-N 2 1 367.493 3.429 20 0 FGADMP C[NH+](Cc1c[nH]c(C(=O)OCc2ccccc2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295993761 497881927 /nfs/dbraw/zinc/88/19/27/497881927.db2.gz KINUKPMXQHALNU-YOFSQIOKSA-N 2 1 367.493 3.429 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000329757650 497890624 /nfs/dbraw/zinc/89/06/24/497890624.db2.gz NCNOKPIJQACHOY-IBGZPJMESA-N 2 1 350.470 3.263 20 0 FGADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3cc(C)c4[nH+]ccn4c3)cc2)CC1 ZINC000581329108 505962414 /nfs/dbraw/zinc/96/24/14/505962414.db2.gz ZQMTVPUHJHXHJG-UHFFFAOYSA-N 2 1 363.465 3.037 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364537166 498009847 /nfs/dbraw/zinc/00/98/47/498009847.db2.gz ODRHPKWTHVWJLU-UYAOXDASSA-N 2 1 366.571 3.092 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364537166 498009851 /nfs/dbraw/zinc/00/98/51/498009851.db2.gz ODRHPKWTHVWJLU-UYAOXDASSA-N 2 1 366.571 3.092 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000581340091 505965151 /nfs/dbraw/zinc/96/51/51/505965151.db2.gz DOUBVKZKGPCQPH-BHDDXSALSA-N 2 1 352.526 3.243 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCc1ccccc1 ZINC000581369471 505973340 /nfs/dbraw/zinc/97/33/40/505973340.db2.gz BZOLSQOJTJRVIE-VQTJNVASSA-N 2 1 352.478 3.316 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCc1ccccc1 ZINC000581369471 505973343 /nfs/dbraw/zinc/97/33/43/505973343.db2.gz BZOLSQOJTJRVIE-VQTJNVASSA-N 2 1 352.478 3.316 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)c1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000364651525 498069287 /nfs/dbraw/zinc/06/92/87/498069287.db2.gz QBGDUYIOACIOFB-UHFFFAOYSA-N 2 1 355.526 3.373 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292868218 498177064 /nfs/dbraw/zinc/17/70/64/498177064.db2.gz CYUXMOMRLCWLKE-JTSKRJEESA-N 2 1 369.509 3.370 20 0 FGADMP c1ccc(CC[NH+]2CCCC3(CCC[N@H+](CCc4ccccn4)C3)C2)nc1 ZINC000289608219 498215907 /nfs/dbraw/zinc/21/59/07/498215907.db2.gz YEAPOPGQGVAYNA-UHFFFAOYSA-N 2 1 364.537 3.440 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569720726 506001224 /nfs/dbraw/zinc/00/12/24/506001224.db2.gz ROJPUFHVKJCKOQ-IRLDBZIGSA-N 2 1 369.553 3.409 20 0 FGADMP Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738026 498245616 /nfs/dbraw/zinc/24/56/16/498245616.db2.gz CHUHWWILCYLUEL-SJKOYZFVSA-N 2 1 351.397 3.276 20 0 FGADMP Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738026 498245619 /nfs/dbraw/zinc/24/56/19/498245619.db2.gz CHUHWWILCYLUEL-SJKOYZFVSA-N 2 1 351.397 3.276 20 0 FGADMP O=C(CN1CCCCCC1)Nc1ccc(N[C@H]2CCn3ccnc32)cc1 ZINC000297137633 498330234 /nfs/dbraw/zinc/33/02/34/498330234.db2.gz ZIGIQLNVUULPJO-SFHVURJKSA-N 2 1 353.470 3.255 20 0 FGADMP Cc1nn2c(C[NH2+][C@@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125518 498348711 /nfs/dbraw/zinc/34/87/11/498348711.db2.gz SWOMVPRQNDWZBB-KBXCAEBGSA-N 2 1 369.538 3.408 20 0 FGADMP Cc1nn2c(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125518 498348719 /nfs/dbraw/zinc/34/87/19/498348719.db2.gz SWOMVPRQNDWZBB-KBXCAEBGSA-N 2 1 369.538 3.408 20 0 FGADMP CCOc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000572647878 506020231 /nfs/dbraw/zinc/02/02/31/506020231.db2.gz FVPLOMURAKARTF-UHFFFAOYSA-N 2 1 365.949 3.198 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878934 506024440 /nfs/dbraw/zinc/02/44/40/506024440.db2.gz DOZHGSPQWDYJGN-APWZRJJASA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878934 506024444 /nfs/dbraw/zinc/02/44/44/506024444.db2.gz DOZHGSPQWDYJGN-APWZRJJASA-N 2 1 365.949 3.427 20 0 FGADMP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000361717828 498423358 /nfs/dbraw/zinc/42/33/58/498423358.db2.gz ITPHAGZPJNCUSG-WRWLIDTKSA-N 2 1 363.571 3.273 20 0 FGADMP C[C@H]1CC[C@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000361812642 498435579 /nfs/dbraw/zinc/43/55/79/498435579.db2.gz KPOBWZSFKTUNDA-ICSRJNTNSA-N 2 1 363.590 3.467 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000575956242 506041020 /nfs/dbraw/zinc/04/10/20/506041020.db2.gz PSMGCQQOSWGQBK-UHFFFAOYSA-N 2 1 365.456 3.427 20 0 FGADMP Brc1cccc2c(NCC[N@H+]3CCCOCC3)ccnc12 ZINC000302511783 498497643 /nfs/dbraw/zinc/49/76/43/498497643.db2.gz SSNJELOHHHZYJO-UHFFFAOYSA-N 2 1 350.260 3.132 20 0 FGADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000578888599 506045546 /nfs/dbraw/zinc/04/55/46/506045546.db2.gz GSJNVDJRQUGDKY-RBUKOAKNSA-N 2 1 366.546 3.123 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000569913751 506045667 /nfs/dbraw/zinc/04/56/67/506045667.db2.gz KCWAXRPRJIOKOH-UHFFFAOYSA-N 2 1 367.428 3.153 20 0 FGADMP C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703698 498541597 /nfs/dbraw/zinc/54/15/97/498541597.db2.gz RROONGSNKBSZOW-JXFKEZNVSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000362703698 498541602 /nfs/dbraw/zinc/54/16/02/498541602.db2.gz RROONGSNKBSZOW-JXFKEZNVSA-N 2 1 372.944 3.346 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000290443461 498555101 /nfs/dbraw/zinc/55/51/01/498555101.db2.gz LXJQUENBAPWZCP-UHFFFAOYSA-N 2 1 361.486 3.384 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1OC ZINC000290443461 498555102 /nfs/dbraw/zinc/55/51/02/498555102.db2.gz LXJQUENBAPWZCP-UHFFFAOYSA-N 2 1 361.486 3.384 20 0 FGADMP CC(C)[C@]1(CO)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000365614361 498558328 /nfs/dbraw/zinc/55/83/28/498558328.db2.gz GJIPEUCAZRJLKQ-JOCHJYFZSA-N 2 1 359.558 3.057 20 0 FGADMP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000581726249 506054675 /nfs/dbraw/zinc/05/46/75/506054675.db2.gz FFIPRVVNKTWCFZ-NRFANRHFSA-N 2 1 365.521 3.150 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000581726848 506054775 /nfs/dbraw/zinc/05/47/75/506054775.db2.gz MDYCAFNRXJJXRA-IHPCNDPISA-N 2 1 374.912 3.114 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H](Oc2ccccc2Cl)C1 ZINC000581726848 506054778 /nfs/dbraw/zinc/05/47/78/506054778.db2.gz MDYCAFNRXJJXRA-IHPCNDPISA-N 2 1 374.912 3.114 20 0 FGADMP C[C@H](O)c1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519702 498582277 /nfs/dbraw/zinc/58/22/77/498582277.db2.gz XMSGLBUSGOQDDP-CYJAXWMASA-N 2 1 359.539 3.443 20 0 FGADMP C[C@H](O)c1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519702 498582282 /nfs/dbraw/zinc/58/22/82/498582282.db2.gz XMSGLBUSGOQDDP-CYJAXWMASA-N 2 1 359.539 3.443 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000286999012 498585359 /nfs/dbraw/zinc/58/53/59/498585359.db2.gz TYHHYJWPGMMICW-UHFFFAOYSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000297872104 498595324 /nfs/dbraw/zinc/59/53/24/498595324.db2.gz UPHUCOBVBHBILG-MSOLQXFVSA-N 2 1 354.498 3.160 20 0 FGADMP CCC1(CNC(=O)[C@@H](C)[NH+]2CC(C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000569986031 506062706 /nfs/dbraw/zinc/06/27/06/506062706.db2.gz NACAMZOUCHJREG-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012731 498638587 /nfs/dbraw/zinc/63/85/87/498638587.db2.gz PBLURLWLWWIFJR-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012731 498638596 /nfs/dbraw/zinc/63/85/96/498638596.db2.gz PBLURLWLWWIFJR-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012731 498638600 /nfs/dbraw/zinc/63/86/00/498638600.db2.gz PBLURLWLWWIFJR-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012730 498639345 /nfs/dbraw/zinc/63/93/45/498639345.db2.gz PBLURLWLWWIFJR-VNTMZGSJSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012730 498639349 /nfs/dbraw/zinc/63/93/49/498639349.db2.gz PBLURLWLWWIFJR-VNTMZGSJSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012730 498639354 /nfs/dbraw/zinc/63/93/54/498639354.db2.gz PBLURLWLWWIFJR-VNTMZGSJSA-N 2 1 366.594 3.164 20 0 FGADMP C[NH+](C)C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000576059185 506066961 /nfs/dbraw/zinc/06/69/61/506066961.db2.gz PWAWATKPAKZZFH-UYAOXDASSA-N 2 1 373.928 3.404 20 0 FGADMP C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365795875 498644485 /nfs/dbraw/zinc/64/44/85/498644485.db2.gz OHXSSEZMMJJBSS-OXJNMPFZSA-N 2 1 367.940 3.370 20 0 FGADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365795875 498644492 /nfs/dbraw/zinc/64/44/92/498644492.db2.gz OHXSSEZMMJJBSS-OXJNMPFZSA-N 2 1 367.940 3.370 20 0 FGADMP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365835253 498661553 /nfs/dbraw/zinc/66/15/53/498661553.db2.gz DEBMHHSOPCVZAY-CHWSQXEVSA-N 2 1 354.853 3.241 20 0 FGADMP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303472958 498678270 /nfs/dbraw/zinc/67/82/70/498678270.db2.gz NIXIWECDOGOXHW-GOSISDBHSA-N 2 1 357.542 3.014 20 0 FGADMP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303472958 498678275 /nfs/dbraw/zinc/67/82/75/498678275.db2.gz NIXIWECDOGOXHW-GOSISDBHSA-N 2 1 357.542 3.014 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881715 506074453 /nfs/dbraw/zinc/07/44/53/506074453.db2.gz FNHPDYFFGXFZRD-CABCVRRESA-N 2 1 369.431 3.356 20 0 FGADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000365910863 498696362 /nfs/dbraw/zinc/69/63/62/498696362.db2.gz APOBDQXFAKIAKP-UHFFFAOYSA-N 2 1 361.530 3.165 20 0 FGADMP O=C(NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000576106859 506078582 /nfs/dbraw/zinc/07/85/82/506078582.db2.gz RDPUZFBFCKGRLO-NRFANRHFSA-N 2 1 363.505 3.203 20 0 FGADMP O=C(NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000576106859 506078585 /nfs/dbraw/zinc/07/85/85/506078585.db2.gz RDPUZFBFCKGRLO-NRFANRHFSA-N 2 1 363.505 3.203 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000366001224 498726259 /nfs/dbraw/zinc/72/62/59/498726259.db2.gz NUFVMKNMCIRPCO-DNVCBOLYSA-N 2 1 357.523 3.233 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000570089169 506087415 /nfs/dbraw/zinc/08/74/15/506087415.db2.gz XFIJWTAPZUMHJR-QVKFZJNVSA-N 2 1 360.461 3.245 20 0 FGADMP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298455304 498777236 /nfs/dbraw/zinc/77/72/36/498777236.db2.gz ODBNFCFQUIZZFT-SFHVURJKSA-N 2 1 367.459 3.496 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000572944664 506089829 /nfs/dbraw/zinc/08/98/29/506089829.db2.gz WMSNJWWSIXQXLF-RLLQIKCJSA-N 2 1 364.578 3.190 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000581924508 506091163 /nfs/dbraw/zinc/09/11/63/506091163.db2.gz NHJFKNORHSVWFW-KRWDZBQOSA-N 2 1 366.571 3.246 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000287648173 498824945 /nfs/dbraw/zinc/82/49/45/498824945.db2.gz QGSQPBJUTXSNQB-DAABDDCCSA-N 2 1 372.557 3.382 20 0 FGADMP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000332968928 498851257 /nfs/dbraw/zinc/85/12/57/498851257.db2.gz JAXBANZNSHMKCY-DLBZAZTESA-N 2 1 372.557 3.266 20 0 FGADMP C/C(=C\c1ccccc1)C[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000363535185 498867304 /nfs/dbraw/zinc/86/73/04/498867304.db2.gz QAQLLHDUUHGONF-OBGWFSINSA-N 2 1 367.541 3.064 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324462 498874449 /nfs/dbraw/zinc/87/44/49/498874449.db2.gz AXZPMEWSEVEKRG-QFBILLFUSA-N 2 1 351.922 3.358 20 0 FGADMP Cc1ccnc(-c2noc(CN[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000295057903 498894226 /nfs/dbraw/zinc/89/42/26/498894226.db2.gz VDUMNOKWJBVAOM-HZPDHXFCSA-N 2 1 355.486 3.183 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000333162298 498920273 /nfs/dbraw/zinc/92/02/73/498920273.db2.gz GQGGVHTYCHFYMM-KXEVLKFVSA-N 2 1 370.541 3.093 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000579194852 506115081 /nfs/dbraw/zinc/11/50/81/506115081.db2.gz DRHFWENDGUIZJI-IBGZPJMESA-N 2 1 356.857 3.395 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000579194852 506115083 /nfs/dbraw/zinc/11/50/83/506115083.db2.gz DRHFWENDGUIZJI-IBGZPJMESA-N 2 1 356.857 3.395 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026594 506115503 /nfs/dbraw/zinc/11/55/03/506115503.db2.gz ORJOCBJJJIVJRA-NRFANRHFSA-N 2 1 354.542 3.409 20 0 FGADMP [NH3+]CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000570219778 506117421 /nfs/dbraw/zinc/11/74/21/506117421.db2.gz NKMBCRZEHUBIQO-MRXNPFEDSA-N 2 1 356.297 3.160 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532918 498968801 /nfs/dbraw/zinc/96/88/01/498968801.db2.gz GCRILSJTDRJVIX-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532918 498968805 /nfs/dbraw/zinc/96/88/05/498968805.db2.gz GCRILSJTDRJVIX-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532918 498968808 /nfs/dbraw/zinc/96/88/08/498968808.db2.gz GCRILSJTDRJVIX-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000299242048 499003564 /nfs/dbraw/zinc/00/35/64/499003564.db2.gz KKFLDWIZBCOENJ-GOSISDBHSA-N 2 1 355.486 3.271 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000299242048 499003580 /nfs/dbraw/zinc/00/35/80/499003580.db2.gz KKFLDWIZBCOENJ-GOSISDBHSA-N 2 1 355.486 3.271 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1Cl ZINC000570263738 506127849 /nfs/dbraw/zinc/12/78/49/506127849.db2.gz KKOVPADUJLEZHD-LJQANCHMSA-N 2 1 372.900 3.410 20 0 FGADMP C[C@@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000291742304 499053716 /nfs/dbraw/zinc/05/37/16/499053716.db2.gz JEQXLHSNFAAQHP-CRAIPNDOSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000291742304 499053718 /nfs/dbraw/zinc/05/37/18/499053718.db2.gz JEQXLHSNFAAQHP-CRAIPNDOSA-N 2 1 357.523 3.203 20 0 FGADMP CC(C)[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279935 506131791 /nfs/dbraw/zinc/13/17/91/506131791.db2.gz RQMGUYKYAYWZAA-HLAWJBBLSA-N 2 1 357.542 3.006 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029916 499135998 /nfs/dbraw/zinc/13/59/98/499135998.db2.gz OGTWCDWEFHIRTM-APWZRJJASA-N 2 1 367.990 3.390 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000367071884 499143750 /nfs/dbraw/zinc/14/37/50/499143750.db2.gz LRCWQXZBINNTDL-KRWDZBQOSA-N 2 1 371.516 3.124 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000367209842 499161757 /nfs/dbraw/zinc/16/17/57/499161757.db2.gz WCRXLEDXIHKKTR-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000367209842 499161759 /nfs/dbraw/zinc/16/17/59/499161759.db2.gz WCRXLEDXIHKKTR-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(=O)Nc2ncccc2C)C1 ZINC000367209842 499161761 /nfs/dbraw/zinc/16/17/61/499161761.db2.gz WCRXLEDXIHKKTR-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274815 499172023 /nfs/dbraw/zinc/17/20/23/499172023.db2.gz PGPCQQNTIFOISX-OALUTQOASA-N 2 1 355.526 3.097 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274815 499172025 /nfs/dbraw/zinc/17/20/25/499172025.db2.gz PGPCQQNTIFOISX-OALUTQOASA-N 2 1 355.526 3.097 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779249 499174348 /nfs/dbraw/zinc/17/43/48/499174348.db2.gz CKSIZCIOUGQPSY-JZZBYWGLSA-N 2 1 368.525 3.412 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779249 499174351 /nfs/dbraw/zinc/17/43/51/499174351.db2.gz CKSIZCIOUGQPSY-JZZBYWGLSA-N 2 1 368.525 3.412 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000573180494 506137074 /nfs/dbraw/zinc/13/70/74/506137074.db2.gz RJRCNCHJBVJUJC-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP O=C(NCc1nccn1CCCc1ccccc1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370241263 499200995 /nfs/dbraw/zinc/20/09/95/499200995.db2.gz CFKVDMJUDNRWEO-PMACEKPBSA-N 2 1 366.509 3.007 20 0 FGADMP C[NH+](CCCCCn1nnc(-c2ccccc2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367587008 499215250 /nfs/dbraw/zinc/21/52/50/499215250.db2.gz QWCVDFOTZAVJIK-YOFSQIOKSA-N 2 1 368.529 3.067 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000370633720 499237838 /nfs/dbraw/zinc/23/78/38/499237838.db2.gz IDFVMOGCBPGUTM-HNNXBMFYSA-N 2 1 374.916 3.375 20 0 FGADMP COCCn1cc2c(n1)[C@H](N[C@@H](C)c1ccc(-n3ccnc3)cc1)CCC2 ZINC000368187707 499272592 /nfs/dbraw/zinc/27/25/92/499272592.db2.gz HYNHNDSTXZFURX-OXJNMPFZSA-N 2 1 365.481 3.443 20 0 FGADMP C[C@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000371007209 499279736 /nfs/dbraw/zinc/27/97/36/499279736.db2.gz HJPWJQURIHSGRT-KOUHRCEDSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000371007209 499279738 /nfs/dbraw/zinc/27/97/38/499279738.db2.gz HJPWJQURIHSGRT-KOUHRCEDSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000371007209 499279739 /nfs/dbraw/zinc/27/97/39/499279739.db2.gz HJPWJQURIHSGRT-KOUHRCEDSA-N 2 1 372.557 3.021 20 0 FGADMP CCc1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000371089236 499287575 /nfs/dbraw/zinc/28/75/75/499287575.db2.gz PSGQBNJNGFYEGL-UHFFFAOYSA-N 2 1 357.542 3.175 20 0 FGADMP Cc1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ccc1F ZINC000371095150 499288013 /nfs/dbraw/zinc/28/80/13/499288013.db2.gz UCXSZJRIKIAQOH-UHFFFAOYSA-N 2 1 361.505 3.060 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc(O)cc(F)c3)CC2)CC1 ZINC000368367755 499289430 /nfs/dbraw/zinc/28/94/30/499289430.db2.gz UXWXODDQQWHJCW-UHFFFAOYSA-N 3 1 363.521 3.159 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424829 499294683 /nfs/dbraw/zinc/29/46/83/499294683.db2.gz ALLAMIWCNAYNIV-LAUBAEHRSA-N 2 1 361.505 3.329 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000368692094 499322252 /nfs/dbraw/zinc/32/22/52/499322252.db2.gz LPBVXEXAPDHMMB-GOSISDBHSA-N 2 1 370.522 3.256 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000368718155 499325131 /nfs/dbraw/zinc/32/51/31/499325131.db2.gz FLOMOHGPGXORTF-IBGZPJMESA-N 2 1 361.534 3.022 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371472455 499331576 /nfs/dbraw/zinc/33/15/76/499331576.db2.gz ZOSSTYCWHMGIBQ-KSEOMHKRSA-N 2 1 368.525 3.173 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371472455 499331577 /nfs/dbraw/zinc/33/15/77/499331577.db2.gz ZOSSTYCWHMGIBQ-KSEOMHKRSA-N 2 1 368.525 3.173 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000371515783 499337092 /nfs/dbraw/zinc/33/70/92/499337092.db2.gz AQPIIZALGWMOHN-CEXWTWQISA-N 2 1 372.557 3.482 20 0 FGADMP COCCn1ncc2c1[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000368847586 499339223 /nfs/dbraw/zinc/33/92/23/499339223.db2.gz YLAFTQIGSPYDLN-NRFANRHFSA-N 2 1 368.525 3.161 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000371589933 499345217 /nfs/dbraw/zinc/34/52/17/499345217.db2.gz WEEIFERYQPRDHP-GOSISDBHSA-N 2 1 372.557 3.341 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000371978464 499386238 /nfs/dbraw/zinc/38/62/38/499386238.db2.gz IJXUAIRRQXFBMS-BAGYTPMASA-N 2 1 359.558 3.382 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000372085454 499397702 /nfs/dbraw/zinc/39/77/02/499397702.db2.gz JAUIEXWAWRKUJW-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000372085454 499397705 /nfs/dbraw/zinc/39/77/05/499397705.db2.gz JAUIEXWAWRKUJW-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000372085454 499397707 /nfs/dbraw/zinc/39/77/07/499397707.db2.gz JAUIEXWAWRKUJW-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372112762 499400413 /nfs/dbraw/zinc/40/04/13/499400413.db2.gz JUNLQOGBKFLROT-CPFNUKBASA-N 2 1 361.496 3.313 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000369514113 499411004 /nfs/dbraw/zinc/41/10/04/499411004.db2.gz XRSBJGHMILIIBM-QZTJIDSGSA-N 2 1 361.534 3.085 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581249 499422059 /nfs/dbraw/zinc/42/20/59/499422059.db2.gz ZWACUUZPHRATMH-DLBZAZTESA-N 2 1 360.546 3.122 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581249 499422060 /nfs/dbraw/zinc/42/20/60/499422060.db2.gz ZWACUUZPHRATMH-DLBZAZTESA-N 2 1 360.546 3.122 20 0 FGADMP C[C@H]([NH2+]CCCOCC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372346146 499423548 /nfs/dbraw/zinc/42/35/48/499423548.db2.gz JJEPMPYQXPSLRS-SIKLNZKXSA-N 2 1 360.542 3.320 20 0 FGADMP COc1c(CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1C ZINC000372399725 499429204 /nfs/dbraw/zinc/42/92/04/499429204.db2.gz SSKZCIKEFSJAEJ-UZLBHIALSA-N 2 1 356.514 3.080 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000369708792 499438269 /nfs/dbraw/zinc/43/82/69/499438269.db2.gz JFCVUFBWEFDEFF-OAQYLSRUSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223240 499458440 /nfs/dbraw/zinc/45/84/40/499458440.db2.gz HKCACSISQRXIFL-QAPCUYQASA-N 2 1 368.518 3.146 20 0 FGADMP CCn1nc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc21 ZINC000373234926 499459037 /nfs/dbraw/zinc/45/90/37/499459037.db2.gz OECHEGSCJOJZQV-UHFFFAOYSA-N 2 1 364.497 3.222 20 0 FGADMP C[C@H](CS(=O)(=O)c1ccccc1)NCc1cccc(-c2nccn2C)c1 ZINC000373253865 499459889 /nfs/dbraw/zinc/45/98/89/499459889.db2.gz CCBMTLSYOJRDMI-MRXNPFEDSA-N 2 1 369.490 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375356714 499510239 /nfs/dbraw/zinc/51/02/39/499510239.db2.gz OIVLFXPCFBCGHB-IRLDBZIGSA-N 2 1 359.558 3.194 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000378439572 499516930 /nfs/dbraw/zinc/51/69/30/499516930.db2.gz RLWDIAAKOFFDIL-SFHVURJKSA-N 2 1 353.466 3.168 20 0 FGADMP O=C1[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000375484777 499524515 /nfs/dbraw/zinc/52/45/15/499524515.db2.gz DHESSJJBNLBQMS-OFQRWUPVSA-N 2 1 368.308 3.315 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000576396821 506149189 /nfs/dbraw/zinc/14/91/89/506149189.db2.gz MCKRMNBCTKWCGA-ZWKOTPCHSA-N 2 1 365.468 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000576396821 506149192 /nfs/dbraw/zinc/14/91/92/506149192.db2.gz MCKRMNBCTKWCGA-ZWKOTPCHSA-N 2 1 365.468 3.124 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382717842 499546174 /nfs/dbraw/zinc/54/61/74/499546174.db2.gz IHURDKMKNNCNSB-XSLAUPDRSA-N 2 1 355.526 3.030 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388342386 499550607 /nfs/dbraw/zinc/55/06/07/499550607.db2.gz NFXAGVKZRRGJBS-OAQYLSRUSA-N 2 1 365.521 3.185 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000388516678 499551006 /nfs/dbraw/zinc/55/10/06/499551006.db2.gz QKTKZUSTZZPJDO-IHPCNDPISA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000388516678 499551007 /nfs/dbraw/zinc/55/10/07/499551007.db2.gz QKTKZUSTZZPJDO-IHPCNDPISA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000388516678 499551008 /nfs/dbraw/zinc/55/10/08/499551008.db2.gz QKTKZUSTZZPJDO-IHPCNDPISA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000388516678 499551010 /nfs/dbraw/zinc/55/10/10/499551010.db2.gz QKTKZUSTZZPJDO-IHPCNDPISA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390688291 499555245 /nfs/dbraw/zinc/55/52/45/499555245.db2.gz ZMYNRXFVWIXVOL-HJNYFJLDSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688291 499555246 /nfs/dbraw/zinc/55/52/46/499555246.db2.gz ZMYNRXFVWIXVOL-HJNYFJLDSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000398005778 499565752 /nfs/dbraw/zinc/56/57/52/499565752.db2.gz QFCUZXPTFDEJTG-COPCDDAFSA-N 2 1 365.521 3.493 20 0 FGADMP Cc1nccn1CCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446121 499596504 /nfs/dbraw/zinc/59/65/04/499596504.db2.gz DCHPIHQZOAFLEW-YADHBBJMSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446121 499596506 /nfs/dbraw/zinc/59/65/06/499596506.db2.gz DCHPIHQZOAFLEW-YADHBBJMSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446121 499596508 /nfs/dbraw/zinc/59/65/08/499596508.db2.gz DCHPIHQZOAFLEW-YADHBBJMSA-N 2 1 352.526 3.426 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823560 499637824 /nfs/dbraw/zinc/63/78/24/499637824.db2.gz PUXQQZJZTKUBDO-BHIYHBOVSA-N 2 1 361.530 3.238 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000376823560 499637828 /nfs/dbraw/zinc/63/78/28/499637828.db2.gz PUXQQZJZTKUBDO-BHIYHBOVSA-N 2 1 361.530 3.238 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[NH+]2CCCCC2)C1 ZINC000410349822 499656898 /nfs/dbraw/zinc/65/68/98/499656898.db2.gz HGMMNBNICAHIKQ-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP COc1ccc(Cl)c(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000377277135 499675943 /nfs/dbraw/zinc/67/59/43/499675943.db2.gz KTRFYJMSRIPCAI-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP C[C@H]1C[N@@H+](C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192620 499709387 /nfs/dbraw/zinc/70/93/87/499709387.db2.gz RMMXJKQUKNPGAV-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@H]1C[N@H+](C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192620 499709388 /nfs/dbraw/zinc/70/93/88/499709388.db2.gz RMMXJKQUKNPGAV-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP COc1ccccc1[C@H]([NH2+]CCCc1cnccc1C)c1nccn1C ZINC000377613040 499710450 /nfs/dbraw/zinc/71/04/50/499710450.db2.gz CXMJPNPQTJDTDZ-FQEVSTJZSA-N 2 1 350.466 3.444 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000377717317 499724385 /nfs/dbraw/zinc/72/43/85/499724385.db2.gz HGLHGZCDBXPKQF-QGZVFWFLSA-N 2 1 372.538 3.117 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000377717317 499724386 /nfs/dbraw/zinc/72/43/86/499724386.db2.gz HGLHGZCDBXPKQF-QGZVFWFLSA-N 2 1 372.538 3.117 20 0 FGADMP Cc1nnc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000411351954 499728451 /nfs/dbraw/zinc/72/84/51/499728451.db2.gz URALKMNNHWIOOE-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411351954 499728452 /nfs/dbraw/zinc/72/84/52/499728452.db2.gz URALKMNNHWIOOE-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411351954 499728454 /nfs/dbraw/zinc/72/84/54/499728454.db2.gz URALKMNNHWIOOE-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000411351954 499728455 /nfs/dbraw/zinc/72/84/55/499728455.db2.gz URALKMNNHWIOOE-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000411351954 499728457 /nfs/dbraw/zinc/72/84/57/499728457.db2.gz URALKMNNHWIOOE-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@H]1c1ccccc1 ZINC000377764139 499730623 /nfs/dbraw/zinc/73/06/23/499730623.db2.gz SNQDWYSMPSIJRT-FYYLOGMGSA-N 2 1 365.521 3.306 20 0 FGADMP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411403001 499735352 /nfs/dbraw/zinc/73/53/52/499735352.db2.gz ADJRPPPZWDGWLC-FSSWDIPSSA-N 2 1 358.526 3.441 20 0 FGADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411403001 499735353 /nfs/dbraw/zinc/73/53/53/499735353.db2.gz ADJRPPPZWDGWLC-FSSWDIPSSA-N 2 1 358.526 3.441 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377805788 499736945 /nfs/dbraw/zinc/73/69/45/499736945.db2.gz XWIQPELNMHJUOG-VDZJLULYSA-N 2 1 367.493 3.051 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860304 499742808 /nfs/dbraw/zinc/74/28/08/499742808.db2.gz MGAAEQAGRGTPOH-IAGOWNOFSA-N 2 1 352.482 3.265 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860304 499742810 /nfs/dbraw/zinc/74/28/10/499742810.db2.gz MGAAEQAGRGTPOH-IAGOWNOFSA-N 2 1 352.482 3.265 20 0 FGADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396370 506158178 /nfs/dbraw/zinc/15/81/78/506158178.db2.gz JIZWEYVYVXWCBY-RTWAWAEBSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1ccc(/C=C/CC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000378037294 499755689 /nfs/dbraw/zinc/75/56/89/499755689.db2.gz FZVGPHSTLSJCAO-FNEOHHHZSA-N 2 1 355.526 3.025 20 0 FGADMP Cc1ccc(/C=C/CC(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000378037294 499755690 /nfs/dbraw/zinc/75/56/90/499755690.db2.gz FZVGPHSTLSJCAO-FNEOHHHZSA-N 2 1 355.526 3.025 20 0 FGADMP C[C@H](CC1CC1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378049360 499756130 /nfs/dbraw/zinc/75/61/30/499756130.db2.gz XMNJEFFXTNEDOX-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@@H+](Cc1n[nH]cc1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000378127146 499760166 /nfs/dbraw/zinc/76/01/66/499760166.db2.gz DJWWMCOCPVGNHW-UHFFFAOYSA-N 2 1 356.518 3.431 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1CC[NH+](C(C)(C)C)CC1 ZINC000414252097 499771682 /nfs/dbraw/zinc/77/16/82/499771682.db2.gz AQOUZVPVKHKEFF-IFMALSPDSA-N 2 1 373.585 3.376 20 0 FGADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000414252097 499771684 /nfs/dbraw/zinc/77/16/84/499771684.db2.gz AQOUZVPVKHKEFF-IFMALSPDSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655507 499773647 /nfs/dbraw/zinc/77/36/47/499773647.db2.gz KPSFNMKHGCJNJQ-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414340313 499779362 /nfs/dbraw/zinc/77/93/62/499779362.db2.gz GVONVCFCXICUTL-DSKINZAPSA-N 2 1 363.521 3.131 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCO[C@@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000414471860 499796620 /nfs/dbraw/zinc/79/66/20/499796620.db2.gz MRUVQRPNGKAYKW-JOCHJYFZSA-N 2 1 357.542 3.218 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000414471860 499796622 /nfs/dbraw/zinc/79/66/22/499796622.db2.gz MRUVQRPNGKAYKW-JOCHJYFZSA-N 2 1 357.542 3.218 20 0 FGADMP CC(CC[NH+](C)[C@H]1CCN(C(C)C)C1)CC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000411879414 499799174 /nfs/dbraw/zinc/79/91/74/499799174.db2.gz RTDHQBAXMXUHDU-VXKWHMMOSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@H]1CC[N@@H+](C(C)C)C1)CC[NH+](C)[C@H]1CCN(C(C)C)C1 ZINC000411879414 499799178 /nfs/dbraw/zinc/79/91/78/499799178.db2.gz RTDHQBAXMXUHDU-VXKWHMMOSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@H]1CC[N@H+](C(C)C)C1)CC[NH+](C)[C@H]1CCN(C(C)C)C1 ZINC000411879414 499799179 /nfs/dbraw/zinc/79/91/79/499799179.db2.gz RTDHQBAXMXUHDU-VXKWHMMOSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@H]1CC[NH+](C(C)C)C1)CC[N@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000411879414 499799181 /nfs/dbraw/zinc/79/91/81/499799181.db2.gz RTDHQBAXMXUHDU-VXKWHMMOSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@H]1CC[NH+](C(C)C)C1)CC[N@@H+](C)[C@H]1CCN(C(C)C)C1 ZINC000411879414 499799182 /nfs/dbraw/zinc/79/91/82/499799182.db2.gz RTDHQBAXMXUHDU-VXKWHMMOSA-N 2 1 366.638 3.232 20 0 FGADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414778911 499830237 /nfs/dbraw/zinc/83/02/37/499830237.db2.gz JOFAFAJWUPXKPW-OALUTQOASA-N 2 1 351.494 3.482 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783817 499830681 /nfs/dbraw/zinc/83/06/81/499830681.db2.gz QPQUUWOJNXHRAF-QZTJIDSGSA-N 2 1 356.489 3.450 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]CC([NH3+])(CC)CC)cc1OC ZINC000414804749 499832810 /nfs/dbraw/zinc/83/28/10/499832810.db2.gz OBQJMZDOIUIGMD-UHFFFAOYSA-N 2 1 359.308 3.464 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931369 499845545 /nfs/dbraw/zinc/84/55/45/499845545.db2.gz BRMZFSJCQVOAJH-CXAGYDPISA-N 2 1 352.404 3.038 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C)c2)cc1 ZINC000414941329 499846984 /nfs/dbraw/zinc/84/69/84/499846984.db2.gz LNZRPLHRTPECTN-FOIQADDNSA-N 2 1 353.466 3.035 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414940952 499847033 /nfs/dbraw/zinc/84/70/33/499847033.db2.gz CCHFWFNIWCSPTB-WBMJQRKESA-N 2 1 363.303 3.173 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063162 499860081 /nfs/dbraw/zinc/86/00/81/499860081.db2.gz GXETYASQTKCRPW-LRDDRELGSA-N 2 1 353.894 3.173 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000415133716 499868275 /nfs/dbraw/zinc/86/82/75/499868275.db2.gz VLGDPZDFQSDSOP-HIFRSBDPSA-N 2 1 359.333 3.229 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133211 499868439 /nfs/dbraw/zinc/86/84/39/499868439.db2.gz UYIAXEMEWMGMQZ-QFBILLFUSA-N 2 1 355.482 3.086 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1C[NH3+] ZINC000415133345 499868593 /nfs/dbraw/zinc/86/85/93/499868593.db2.gz VBXYAQQZSQMUOW-DZGCQCFKSA-N 2 1 352.404 3.308 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000415918247 499928252 /nfs/dbraw/zinc/92/82/52/499928252.db2.gz KOVUZGPQFHRBMD-HXUWFJFHSA-N 2 1 366.509 3.092 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415933757 499930314 /nfs/dbraw/zinc/93/03/14/499930314.db2.gz PXOAWKWTBPTZQK-XLIONFOSSA-N 2 1 366.509 3.438 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988547 499937894 /nfs/dbraw/zinc/93/78/94/499937894.db2.gz DFJDGODGXZAGRX-IAGOWNOFSA-N 2 1 364.493 3.417 20 0 FGADMP CCN1CCC([N@@H+](C)CCCCOc2c(OC)cccc2OC)CC1 ZINC000576469883 506166018 /nfs/dbraw/zinc/16/60/18/506166018.db2.gz FXHGEJKFROLMHV-UHFFFAOYSA-N 2 1 350.503 3.279 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCCCOc2c(OC)cccc2OC)CC1 ZINC000576469883 506166021 /nfs/dbraw/zinc/16/60/21/506166021.db2.gz FXHGEJKFROLMHV-UHFFFAOYSA-N 2 1 350.503 3.279 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCCCOc2c(OC)cccc2OC)CC1 ZINC000576469883 506166025 /nfs/dbraw/zinc/16/60/25/506166025.db2.gz FXHGEJKFROLMHV-UHFFFAOYSA-N 2 1 350.503 3.279 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416171076 499967472 /nfs/dbraw/zinc/96/74/72/499967472.db2.gz NYBZDTDZNPFGGW-UHFFFAOYSA-N 2 1 351.494 3.444 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429026177 499986944 /nfs/dbraw/zinc/98/69/44/499986944.db2.gz CJUMKSNBPYXTTO-SIKLNZKXSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429026177 499986947 /nfs/dbraw/zinc/98/69/47/499986947.db2.gz CJUMKSNBPYXTTO-SIKLNZKXSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429026177 499986951 /nfs/dbraw/zinc/98/69/51/499986951.db2.gz CJUMKSNBPYXTTO-SIKLNZKXSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429026177 499986955 /nfs/dbraw/zinc/98/69/55/499986955.db2.gz CJUMKSNBPYXTTO-SIKLNZKXSA-N 2 1 360.542 3.060 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092370 500001875 /nfs/dbraw/zinc/00/18/75/500001875.db2.gz KDOLNGCUAJJELT-WIYYLYMNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092370 500001881 /nfs/dbraw/zinc/00/18/81/500001881.db2.gz KDOLNGCUAJJELT-WIYYLYMNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092370 500001885 /nfs/dbraw/zinc/00/18/85/500001885.db2.gz KDOLNGCUAJJELT-WIYYLYMNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311219 500036238 /nfs/dbraw/zinc/03/62/38/500036238.db2.gz LNUVASHHJRMHBV-LYSIVYOWSA-N 2 1 356.535 3.467 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311219 500036242 /nfs/dbraw/zinc/03/62/42/500036242.db2.gz LNUVASHHJRMHBV-LYSIVYOWSA-N 2 1 356.535 3.467 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385304 500056327 /nfs/dbraw/zinc/05/63/27/500056327.db2.gz LYROTRDAGPGRGY-LWYYNNOASA-N 2 1 363.496 3.216 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000417399395 500061373 /nfs/dbraw/zinc/06/13/73/500061373.db2.gz ZMZFDIBFPWYAQZ-MTQWCTHYSA-N 2 1 363.496 3.359 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000417407326 500063946 /nfs/dbraw/zinc/06/39/46/500063946.db2.gz SKOOGLMSSAENSU-NRFANRHFSA-N 2 1 368.525 3.200 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000582281714 506175226 /nfs/dbraw/zinc/17/52/26/506175226.db2.gz XXASSBDLMSRUIA-FQEVSTJZSA-N 2 1 367.497 3.042 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000582281714 506175228 /nfs/dbraw/zinc/17/52/28/506175228.db2.gz XXASSBDLMSRUIA-FQEVSTJZSA-N 2 1 367.497 3.042 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564928 500104160 /nfs/dbraw/zinc/10/41/60/500104160.db2.gz HDIVHCZUWHBUBM-NQIIRXRSSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564928 500104162 /nfs/dbraw/zinc/10/41/62/500104162.db2.gz HDIVHCZUWHBUBM-NQIIRXRSSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564928 500104168 /nfs/dbraw/zinc/10/41/68/500104168.db2.gz HDIVHCZUWHBUBM-NQIIRXRSSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000417581605 500116637 /nfs/dbraw/zinc/11/66/37/500116637.db2.gz TXHDXMGUFBAEPQ-YJBOKZPZSA-N 2 1 366.937 3.121 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421822051 500159649 /nfs/dbraw/zinc/15/96/49/500159649.db2.gz VOISZINBXBFRTF-INIZCTEOSA-N 2 1 355.929 3.417 20 0 FGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421834325 500161620 /nfs/dbraw/zinc/16/16/20/500161620.db2.gz CAVLPCSZRIBLCY-RXVVDRJESA-N 2 1 360.542 3.471 20 0 FGADMP COc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421854492 500164226 /nfs/dbraw/zinc/16/42/26/500164226.db2.gz LOSQHEDDUKRZOJ-MGPUTAFESA-N 2 1 350.478 3.376 20 0 FGADMP COc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421854492 500164230 /nfs/dbraw/zinc/16/42/30/500164230.db2.gz LOSQHEDDUKRZOJ-MGPUTAFESA-N 2 1 350.478 3.376 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000416966536 500168622 /nfs/dbraw/zinc/16/86/22/500168622.db2.gz FMJVPSODGIFNSN-WIYYLYMNSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000416969333 500169514 /nfs/dbraw/zinc/16/95/14/500169514.db2.gz BNBGITNFXWSPIG-QZTJIDSGSA-N 2 1 360.546 3.378 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416969820 500170395 /nfs/dbraw/zinc/17/03/95/500170395.db2.gz CQXAEPLWHHWSSE-UIFIKXQLSA-N 2 1 372.557 3.378 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000416975487 500172920 /nfs/dbraw/zinc/17/29/20/500172920.db2.gz ZHKZMKCIOJJSRF-IYARVYRRSA-N 2 1 360.546 3.091 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000417803987 500175832 /nfs/dbraw/zinc/17/58/32/500175832.db2.gz YEFXSIVKSRZXKP-RAFMOHDBSA-N 2 1 358.530 3.124 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417843634 500182632 /nfs/dbraw/zinc/18/26/32/500182632.db2.gz QVEGVOIPQSECDR-DFQSSKMNSA-N 2 1 360.546 3.054 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000417855834 500185080 /nfs/dbraw/zinc/18/50/80/500185080.db2.gz LXIPSVAAAAILKD-DOTOQJQBSA-N 2 1 355.486 3.012 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000417873357 500188942 /nfs/dbraw/zinc/18/89/42/500188942.db2.gz JDYSUQLTWOKMDE-SFTDATJTSA-N 2 1 372.557 3.060 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000430161831 500202118 /nfs/dbraw/zinc/20/21/18/500202118.db2.gz IKLDYWWXPDTTQL-QFIPXVFZSA-N 2 1 352.526 3.384 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000430161831 500202121 /nfs/dbraw/zinc/20/21/21/500202121.db2.gz IKLDYWWXPDTTQL-QFIPXVFZSA-N 2 1 352.526 3.384 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430161831 500202123 /nfs/dbraw/zinc/20/21/23/500202123.db2.gz IKLDYWWXPDTTQL-QFIPXVFZSA-N 2 1 352.526 3.384 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000430161831 500202127 /nfs/dbraw/zinc/20/21/27/500202127.db2.gz IKLDYWWXPDTTQL-QFIPXVFZSA-N 2 1 352.526 3.384 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418025432 500215902 /nfs/dbraw/zinc/21/59/02/500215902.db2.gz DNCYUNXGLFBTAR-NRFANRHFSA-N 2 1 374.573 3.174 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418153810 500237973 /nfs/dbraw/zinc/23/79/73/500237973.db2.gz JGQHCTYEAZPXEG-AQNXPRMDSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183874 500244346 /nfs/dbraw/zinc/24/43/46/500244346.db2.gz OXZMRGMEKNJXEG-RHSMWYFYSA-N 2 1 354.926 3.150 20 0 FGADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227609 500252867 /nfs/dbraw/zinc/25/28/67/500252867.db2.gz AAACMSDDLFTBHC-CTNGQTDRSA-N 2 1 372.557 3.105 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572647 500256599 /nfs/dbraw/zinc/25/65/99/500256599.db2.gz PZQKGJMKJFVHPM-BWAGFHJFSA-N 2 1 365.521 3.146 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572647 500256603 /nfs/dbraw/zinc/25/66/03/500256603.db2.gz PZQKGJMKJFVHPM-BWAGFHJFSA-N 2 1 365.521 3.146 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)C1CC[NH2+]CC1 ZINC000430620934 500262832 /nfs/dbraw/zinc/26/28/32/500262832.db2.gz IPPRLBYYHBLQRU-UHFFFAOYSA-N 2 1 353.466 3.491 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418356046 500267776 /nfs/dbraw/zinc/26/77/76/500267776.db2.gz XLAWVEADUYSERN-QUCCMNQESA-N 2 1 364.578 3.062 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1)CC1CC1 ZINC000418407027 500273013 /nfs/dbraw/zinc/27/30/13/500273013.db2.gz FPBDPAFXEJOPAX-PMACEKPBSA-N 2 1 364.578 3.048 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418431026 500276124 /nfs/dbraw/zinc/27/61/24/500276124.db2.gz WBFZKQFPLZVEKB-HBMCJLEFSA-N 2 1 372.557 3.056 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418471568 500280372 /nfs/dbraw/zinc/28/03/72/500280372.db2.gz RRSXSVJQNRTSJW-RBBKRZOGSA-N 2 1 372.557 3.202 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])c1ccc(Cl)cc1 ZINC000422619436 500282136 /nfs/dbraw/zinc/28/21/36/500282136.db2.gz NHOUHLVCPYUZMJ-INIZCTEOSA-N 2 1 354.926 3.150 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640707 500285341 /nfs/dbraw/zinc/28/53/41/500285341.db2.gz VVVPNGQWUXXJDM-MGPQQGTHSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)C[C@@H](C)O1 ZINC000430800254 500287452 /nfs/dbraw/zinc/28/74/52/500287452.db2.gz QELBELYOTYEWKU-XSFFDPGSSA-N 2 1 371.525 3.155 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422711824 500288375 /nfs/dbraw/zinc/28/83/75/500288375.db2.gz NIILPALPNPJJBC-WZONZLPQSA-N 2 1 368.521 3.430 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771237 500295727 /nfs/dbraw/zinc/29/57/27/500295727.db2.gz XFUGYHHDQVVLAZ-JUXOCIIHSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771237 500295729 /nfs/dbraw/zinc/29/57/29/500295729.db2.gz XFUGYHHDQVVLAZ-JUXOCIIHSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccc(Br)cc1 ZINC000422800356 500299472 /nfs/dbraw/zinc/29/94/72/500299472.db2.gz ZVAXKOBUHRZQIP-NEPJUHHUSA-N 2 1 350.260 3.375 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1cccc(Br)c1 ZINC000422800213 500299677 /nfs/dbraw/zinc/29/96/77/500299677.db2.gz ZOLFGZZXODQUHB-VXGBXAGGSA-N 2 1 350.260 3.375 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422800357 500299845 /nfs/dbraw/zinc/29/98/45/500299845.db2.gz ZVAXKOBUHRZQIP-NWDGAFQWSA-N 2 1 350.260 3.375 20 0 FGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422815167 500302122 /nfs/dbraw/zinc/30/21/22/500302122.db2.gz XDGNQBSWEUKANJ-QLFBSQMISA-N 2 1 360.832 3.188 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840451 500304435 /nfs/dbraw/zinc/30/44/35/500304435.db2.gz SYHGLNMDXBSXHA-DOTOQJQBSA-N 3 1 358.555 3.473 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840451 500304438 /nfs/dbraw/zinc/30/44/38/500304438.db2.gz SYHGLNMDXBSXHA-DOTOQJQBSA-N 3 1 358.555 3.473 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924798 500307740 /nfs/dbraw/zinc/30/77/40/500307740.db2.gz JOBYCVKQWRLZGF-GHTZIAJQSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886731 500311077 /nfs/dbraw/zinc/31/10/77/500311077.db2.gz XIQHKGIYQMESOL-YJSIEXFISA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886731 500311079 /nfs/dbraw/zinc/31/10/79/500311079.db2.gz XIQHKGIYQMESOL-YJSIEXFISA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886731 500311081 /nfs/dbraw/zinc/31/10/81/500311081.db2.gz XIQHKGIYQMESOL-YJSIEXFISA-N 2 1 371.569 3.165 20 0 FGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891657 500311490 /nfs/dbraw/zinc/31/14/90/500311490.db2.gz LGIHPAHGCFCZDJ-KBXCAEBGSA-N 2 1 366.347 3.001 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422906245 500314459 /nfs/dbraw/zinc/31/44/59/500314459.db2.gz UURMHZKFQYDNSN-YOEHRIQHSA-N 2 1 352.906 3.127 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769645 500318105 /nfs/dbraw/zinc/31/81/05/500318105.db2.gz KRXBXKRMJWRBJX-SESVDKBCSA-N 2 1 369.553 3.278 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422930421 500318660 /nfs/dbraw/zinc/31/86/60/500318660.db2.gz UHOYGYBCCAHDHJ-JKSUJKDBSA-N 2 1 370.497 3.201 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422944327 500321246 /nfs/dbraw/zinc/32/12/46/500321246.db2.gz LLSCPQIEYYVEGC-HRCADAONSA-N 2 1 353.304 3.468 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000431017249 500323765 /nfs/dbraw/zinc/32/37/65/500323765.db2.gz OQHZYMLLJWHGEE-UWJYYQICSA-N 2 1 367.493 3.088 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036477 500333874 /nfs/dbraw/zinc/33/38/74/500333874.db2.gz UDHWTVYBLSJQGL-CWBXHPNXSA-N 3 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036477 500333875 /nfs/dbraw/zinc/33/38/75/500333875.db2.gz UDHWTVYBLSJQGL-CWBXHPNXSA-N 2 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423036477 500333876 /nfs/dbraw/zinc/33/38/76/500333876.db2.gz UDHWTVYBLSJQGL-CWBXHPNXSA-N 2 1 371.569 3.044 20 0 FGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051238 500335587 /nfs/dbraw/zinc/33/55/87/500335587.db2.gz MSYGQTWXISXGHZ-NOZJJQNGSA-N 2 1 362.109 3.429 20 0 FGADMP CCC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)C1CC[NH2+]CC1 ZINC000431104346 500336593 /nfs/dbraw/zinc/33/65/93/500336593.db2.gz FVONFGCTAORCEG-UHFFFAOYSA-N 2 1 353.894 3.141 20 0 FGADMP Fc1ccc(C2CC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1Cl ZINC000423093921 500341017 /nfs/dbraw/zinc/34/10/17/500341017.db2.gz AOWORJLWFLONBO-XMMNMGKXSA-N 2 1 352.881 3.472 20 0 FGADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423124848 500345238 /nfs/dbraw/zinc/34/52/38/500345238.db2.gz MTTFNPRCANVXAC-NUATZEMDSA-N 2 1 354.425 3.493 20 0 FGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129206 500346743 /nfs/dbraw/zinc/34/67/43/500346743.db2.gz FBFRYKHWYAANLT-TZIWHRDSSA-N 3 1 359.558 3.022 20 0 FGADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423161356 500350002 /nfs/dbraw/zinc/35/00/02/500350002.db2.gz NMZQNLIKPHFGQQ-SZMVWBNQSA-N 2 1 369.347 3.029 20 0 FGADMP CC[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000423200900 500354563 /nfs/dbraw/zinc/35/45/63/500354563.db2.gz NHDDTMZWINISPV-SFHVURJKSA-N 2 1 361.530 3.246 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)CC1 ZINC000419331543 500354917 /nfs/dbraw/zinc/35/49/17/500354917.db2.gz CYGCMRDOOKLUQF-FHWLQOOXSA-N 2 1 357.542 3.052 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1I)[C@H]1CCC[NH2+]C1 ZINC000423220577 500356198 /nfs/dbraw/zinc/35/61/98/500356198.db2.gz VRRAVUWMLQKTTC-AGIUHOORSA-N 2 1 358.267 3.330 20 0 FGADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423237894 500357534 /nfs/dbraw/zinc/35/75/34/500357534.db2.gz QIYWKPJDTBFIFP-PWSUYJOCSA-N 2 1 363.811 3.418 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000423353586 500366955 /nfs/dbraw/zinc/36/69/55/500366955.db2.gz LYMWEZDDMUJSGB-LAUBAEHRSA-N 2 1 351.494 3.491 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000423396098 500370618 /nfs/dbraw/zinc/37/06/18/500370618.db2.gz RGXDUJVUONNUIN-RCZSKKKRSA-N 2 1 357.542 3.121 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCC2 ZINC000423493205 500378616 /nfs/dbraw/zinc/37/86/16/500378616.db2.gz POMIAQVRBBDCSS-RDJZCZTQSA-N 2 1 353.304 3.185 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423513386 500380965 /nfs/dbraw/zinc/38/09/65/500380965.db2.gz LHRZRCKPUQMOPT-KKSFZXQISA-N 2 1 358.457 3.434 20 0 FGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513710 500381126 /nfs/dbraw/zinc/38/11/26/500381126.db2.gz RVBDMLPTXAYQFK-HRTMPFAESA-N 2 1 359.558 3.034 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000423525247 500382544 /nfs/dbraw/zinc/38/25/44/500382544.db2.gz XZQTXSGNHIRYRZ-ODIFPOPNSA-N 2 1 371.447 3.452 20 0 FGADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C(=O)N(C)C)cc1 ZINC000423528011 500382569 /nfs/dbraw/zinc/38/25/69/500382569.db2.gz NHYWPVSBZUHYGE-KRMQYOGRSA-N 2 1 355.526 3.193 20 0 FGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H](C)[NH3+] ZINC000423790874 500401792 /nfs/dbraw/zinc/40/17/92/500401792.db2.gz ANIIBBTYFSMSEY-IAQYHMDHSA-N 2 1 356.308 3.069 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656135 500403934 /nfs/dbraw/zinc/40/39/34/500403934.db2.gz VFRJZASMGLPTNL-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@@H](C)[NH3+] ZINC000423810719 500404305 /nfs/dbraw/zinc/40/43/05/500404305.db2.gz BDCPRVHUQVCTLA-WZPWBUNQSA-N 2 1 369.912 3.208 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811140 500404430 /nfs/dbraw/zinc/40/44/30/500404430.db2.gz BRVGKBXAURJCTC-HXFGRODQSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811140 500404432 /nfs/dbraw/zinc/40/44/32/500404432.db2.gz BRVGKBXAURJCTC-HXFGRODQSA-N 2 1 361.917 3.122 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCCCCn1cc[nH+]c1C ZINC000431667637 500405617 /nfs/dbraw/zinc/40/56/17/500405617.db2.gz PJMDBQOBMZODMF-RBUKOAKNSA-N 2 1 363.550 3.172 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423831423 500408401 /nfs/dbraw/zinc/40/84/01/500408401.db2.gz WBCLPTKCEHDKCD-SESVDKBCSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423838657 500409881 /nfs/dbraw/zinc/40/98/81/500409881.db2.gz XSWJJHGMQBLLBI-WOJBJXKFSA-N 2 1 371.912 3.277 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423838657 500409883 /nfs/dbraw/zinc/40/98/83/500409883.db2.gz XSWJJHGMQBLLBI-WOJBJXKFSA-N 2 1 371.912 3.277 20 0 FGADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C2CCC2)cc1 ZINC000427717696 500423711 /nfs/dbraw/zinc/42/37/11/500423711.db2.gz CWYKLKQYNFSYCU-JOCHJYFZSA-N 2 1 357.542 3.369 20 0 FGADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420297884 500435798 /nfs/dbraw/zinc/43/57/98/500435798.db2.gz DTHKXXYTMPSQRA-LRDDRELGSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420310400 500439054 /nfs/dbraw/zinc/43/90/54/500439054.db2.gz FYYQRQBBYBMQEX-IXDOHACOSA-N 2 1 353.466 3.475 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420310400 500439056 /nfs/dbraw/zinc/43/90/56/500439056.db2.gz FYYQRQBBYBMQEX-IXDOHACOSA-N 2 1 353.466 3.475 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000420312064 500439169 /nfs/dbraw/zinc/43/91/69/500439169.db2.gz OEGQLRLIDSWRGX-CQSZACIVSA-N 2 1 359.495 3.158 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1F ZINC000420327104 500441609 /nfs/dbraw/zinc/44/16/09/500441609.db2.gz CYZTUIUYUZINGQ-CALCHBBNSA-N 2 1 358.461 3.048 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420328446 500442370 /nfs/dbraw/zinc/44/23/70/500442370.db2.gz ZMNCNBKQZMHUAI-AWEZNQCLSA-N 2 1 368.319 3.018 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420331421 500443284 /nfs/dbraw/zinc/44/32/84/500443284.db2.gz BXORDXZSRLBSFW-IDPBPBMLSA-N 2 1 357.542 3.136 20 0 FGADMP CC[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000424048720 500443632 /nfs/dbraw/zinc/44/36/32/500443632.db2.gz ZICCUKFOFKLSKX-VQTJNVASSA-N 2 1 357.542 3.134 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1C(F)(F)F ZINC000420345812 500445793 /nfs/dbraw/zinc/44/57/93/500445793.db2.gz WTDFYURSAQBKRT-OAHLLOKOSA-N 2 1 355.404 3.108 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378090 500451297 /nfs/dbraw/zinc/45/12/97/500451297.db2.gz BFLTZNKJUSAGKQ-SUMDDJOVSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378090 500451299 /nfs/dbraw/zinc/45/12/99/500451299.db2.gz BFLTZNKJUSAGKQ-SUMDDJOVSA-N 2 1 363.933 3.323 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420377852 500451384 /nfs/dbraw/zinc/45/13/84/500451384.db2.gz LKKUYEOXXGOEFH-FPOVZHCZSA-N 2 1 360.498 3.006 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385047 500452533 /nfs/dbraw/zinc/45/25/33/500452533.db2.gz FCRPQFNNFRWVGZ-HKBOAZHASA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385047 500452537 /nfs/dbraw/zinc/45/25/37/500452537.db2.gz FCRPQFNNFRWVGZ-HKBOAZHASA-N 2 1 357.542 3.354 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420415289 500457647 /nfs/dbraw/zinc/45/76/47/500457647.db2.gz VARZDKFFGSCMGQ-ROUUACIJSA-N 2 1 362.537 3.008 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034280 500460688 /nfs/dbraw/zinc/46/06/88/500460688.db2.gz NUVOCRATDJGJLE-UWJYYQICSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034280 500460691 /nfs/dbraw/zinc/46/06/91/500460691.db2.gz NUVOCRATDJGJLE-UWJYYQICSA-N 2 1 365.477 3.491 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424213667 500470219 /nfs/dbraw/zinc/47/02/19/500470219.db2.gz ALPSAEOUWVNCAP-NHCUHLMSSA-N 2 1 351.494 3.318 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)cc2)CC1 ZINC000424270934 500478805 /nfs/dbraw/zinc/47/88/05/500478805.db2.gz RFNWJKABGSNPOQ-MESAYYPLSA-N 2 1 371.569 3.117 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287647 500481533 /nfs/dbraw/zinc/48/15/33/500481533.db2.gz JIOMECSGSAPMEE-UWJYYQICSA-N 2 1 355.526 3.026 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323793 500486550 /nfs/dbraw/zinc/48/65/50/500486550.db2.gz WGESRSZZBNHWIU-IBGZPJMESA-N 2 1 358.555 3.044 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000576612354 506198542 /nfs/dbraw/zinc/19/85/42/506198542.db2.gz JOXXKBGDTKYQDM-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612354 506198545 /nfs/dbraw/zinc/19/85/45/506198545.db2.gz JOXXKBGDTKYQDM-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612354 506198549 /nfs/dbraw/zinc/19/85/49/506198549.db2.gz JOXXKBGDTKYQDM-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCO1 ZINC000432347316 500502023 /nfs/dbraw/zinc/50/20/23/500502023.db2.gz MOGWQRNXYWCKJU-HNNXBMFYSA-N 2 1 360.420 3.218 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421678 500514389 /nfs/dbraw/zinc/51/43/89/500514389.db2.gz AOHDMENCZKOWTH-LAUBAEHRSA-N 2 1 358.526 3.480 20 0 FGADMP c1cc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC000420957350 500541993 /nfs/dbraw/zinc/54/19/93/500541993.db2.gz CNFXXNMFHUWKHZ-QFIPXVFZSA-N 2 1 351.494 3.293 20 0 FGADMP c1cc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC000420957350 500541995 /nfs/dbraw/zinc/54/19/95/500541995.db2.gz CNFXXNMFHUWKHZ-QFIPXVFZSA-N 2 1 351.494 3.293 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000428706500 500546228 /nfs/dbraw/zinc/54/62/28/500546228.db2.gz ARGPFUIRRURBIU-NHCUHLMSSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000428706500 500546233 /nfs/dbraw/zinc/54/62/33/500546233.db2.gz ARGPFUIRRURBIU-NHCUHLMSSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000428706500 500546236 /nfs/dbraw/zinc/54/62/36/500546236.db2.gz ARGPFUIRRURBIU-NHCUHLMSSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H]1CCCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424710555 500547440 /nfs/dbraw/zinc/54/74/40/500547440.db2.gz OWTCRAAIZOMUGH-NQIIRXRSSA-N 2 1 363.590 3.467 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719577 500548223 /nfs/dbraw/zinc/54/82/23/500548223.db2.gz JWRQXLKRUBQDHF-TZIWHRDSSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719577 500548225 /nfs/dbraw/zinc/54/82/25/500548225.db2.gz JWRQXLKRUBQDHF-TZIWHRDSSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719577 500548227 /nfs/dbraw/zinc/54/82/27/500548227.db2.gz JWRQXLKRUBQDHF-TZIWHRDSSA-N 2 1 355.526 3.227 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000576631491 506202729 /nfs/dbraw/zinc/20/27/29/506202729.db2.gz OFSWESOYJSSXRJ-HKUYNNGSSA-N 2 1 363.505 3.395 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000432796653 500565353 /nfs/dbraw/zinc/56/53/53/500565353.db2.gz BFQFGXUYCPHMNJ-OAQYLSRUSA-N 3 1 358.574 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000432796653 500565355 /nfs/dbraw/zinc/56/53/55/500565355.db2.gz BFQFGXUYCPHMNJ-OAQYLSRUSA-N 3 1 358.574 3.135 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000447319874 500591749 /nfs/dbraw/zinc/59/17/49/500591749.db2.gz SXOBBBAQRBYZLC-GFCCVEGCSA-N 2 1 370.324 3.387 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447426286 500604558 /nfs/dbraw/zinc/60/45/58/500604558.db2.gz CACQYLVZOSLQGL-GJZGRUSLSA-N 2 1 351.560 3.296 20 0 FGADMP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000433156655 500636164 /nfs/dbraw/zinc/63/61/64/500636164.db2.gz JXRYSOQUHGZUCX-OAHLLOKOSA-N 2 1 372.340 3.305 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1(C)C ZINC000442868802 500637272 /nfs/dbraw/zinc/63/72/72/500637272.db2.gz CZAPWXUDJVXEJV-KRWDZBQOSA-N 2 1 371.447 3.188 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000442875295 500637728 /nfs/dbraw/zinc/63/77/28/500637728.db2.gz NVHQEPFGSXMZNY-AWEZNQCLSA-N 2 1 359.436 3.262 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)ccc1F ZINC000442880226 500638840 /nfs/dbraw/zinc/63/88/40/500638840.db2.gz WZUTZWPKQVPHEV-ZDUSSCGKSA-N 2 1 372.326 3.265 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000447666128 500641751 /nfs/dbraw/zinc/64/17/51/500641751.db2.gz GTVNVIIFEYIGIE-UHFFFAOYSA-N 2 1 362.518 3.062 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000442933048 500649173 /nfs/dbraw/zinc/64/91/73/500649173.db2.gz ZLVIAUATZOFEIH-MAUKXSAKSA-N 2 1 352.906 3.459 20 0 FGADMP C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccccc1 ZINC000447723812 500652876 /nfs/dbraw/zinc/65/28/76/500652876.db2.gz RHMLFWAFJUYKOM-MOPGFXCFSA-N 2 1 353.466 3.313 20 0 FGADMP CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc3nccn32)[C@@H](C)C1 ZINC000443070174 500674352 /nfs/dbraw/zinc/67/43/52/500674352.db2.gz OKVTVPCCIQOPTK-SFHVURJKSA-N 2 1 364.493 3.439 20 0 FGADMP COCC[N@H+](C)CC[C@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccccc1 ZINC000443510274 500731938 /nfs/dbraw/zinc/73/19/38/500731938.db2.gz MMCSANMUHAFMGB-SFHVURJKSA-N 2 1 370.472 3.256 20 0 FGADMP COCC[N@@H+](C)CC[C@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccccc1 ZINC000443510274 500731940 /nfs/dbraw/zinc/73/19/40/500731940.db2.gz MMCSANMUHAFMGB-SFHVURJKSA-N 2 1 370.472 3.256 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000448519241 500766895 /nfs/dbraw/zinc/76/68/95/500766895.db2.gz CJECOLLCWWUJNZ-GUDVDZBRSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000448519241 500766896 /nfs/dbraw/zinc/76/68/96/500766896.db2.gz CJECOLLCWWUJNZ-GUDVDZBRSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000448519241 500766898 /nfs/dbraw/zinc/76/68/98/500766898.db2.gz CJECOLLCWWUJNZ-GUDVDZBRSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000448551327 500771201 /nfs/dbraw/zinc/77/12/01/500771201.db2.gz IKSFIUIHVUCKIB-UEXGIBASSA-N 2 1 357.542 3.451 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000448551328 500771271 /nfs/dbraw/zinc/77/12/71/500771271.db2.gz IKSFIUIHVUCKIB-WAOWUJCRSA-N 2 1 357.542 3.451 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c(OCc2cccnc2)c1 ZINC000443996693 500789269 /nfs/dbraw/zinc/78/92/69/500789269.db2.gz ZEUJURXXTJYBSM-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000438834247 500824390 /nfs/dbraw/zinc/82/43/90/500824390.db2.gz ZUUKNWOIFGKSEV-OXJNMPFZSA-N 2 1 368.525 3.031 20 0 FGADMP C[C@H](C[NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449068506 500916320 /nfs/dbraw/zinc/91/63/20/500916320.db2.gz STDYNCCOCYPACC-GOSISDBHSA-N 2 1 374.550 3.305 20 0 FGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132184 500931834 /nfs/dbraw/zinc/93/18/34/500931834.db2.gz SMQUQDOHIRVORJ-HKUYNNGSSA-N 2 1 366.571 3.438 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132184 500931835 /nfs/dbraw/zinc/93/18/35/500931835.db2.gz SMQUQDOHIRVORJ-HKUYNNGSSA-N 2 1 366.571 3.438 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000439789878 500939175 /nfs/dbraw/zinc/93/91/75/500939175.db2.gz RWNJGMSJDZMMRA-QFUCXCTJSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789878 500939176 /nfs/dbraw/zinc/93/91/76/500939176.db2.gz RWNJGMSJDZMMRA-QFUCXCTJSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789878 500939178 /nfs/dbraw/zinc/93/91/78/500939178.db2.gz RWNJGMSJDZMMRA-QFUCXCTJSA-N 2 1 355.526 3.173 20 0 FGADMP CSCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449170692 500939298 /nfs/dbraw/zinc/93/92/98/500939298.db2.gz RNIRCNZMHBHEJN-GOLJUSPKSA-N 2 1 362.583 3.381 20 0 FGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449170692 500939301 /nfs/dbraw/zinc/93/93/01/500939301.db2.gz RNIRCNZMHBHEJN-GOLJUSPKSA-N 2 1 362.583 3.381 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449181075 500942557 /nfs/dbraw/zinc/94/25/57/500942557.db2.gz DUEKPPCWBDITBZ-UHFFFAOYSA-N 2 1 362.514 3.217 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449234628 500954033 /nfs/dbraw/zinc/95/40/33/500954033.db2.gz QWXXHFWOJPJNRB-QFIPXVFZSA-N 2 1 368.525 3.245 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449234628 500954034 /nfs/dbraw/zinc/95/40/34/500954034.db2.gz QWXXHFWOJPJNRB-QFIPXVFZSA-N 2 1 368.525 3.245 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449255438 500958705 /nfs/dbraw/zinc/95/87/05/500958705.db2.gz DJDKWTHWFNYJPS-IAGOWNOFSA-N 2 1 352.544 3.048 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)c2)cc1 ZINC000435370265 500961248 /nfs/dbraw/zinc/96/12/48/500961248.db2.gz IFMDPYOWOMVDJH-NVXWUHKLSA-N 2 1 353.466 3.117 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375642 500961998 /nfs/dbraw/zinc/96/19/98/500961998.db2.gz WBCJJBQILUOOTI-CJNGLKHVSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375642 500962002 /nfs/dbraw/zinc/96/20/02/500962002.db2.gz WBCJJBQILUOOTI-CJNGLKHVSA-N 2 1 352.404 3.119 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCc1ccccc1 ZINC000435380881 500964018 /nfs/dbraw/zinc/96/40/18/500964018.db2.gz UFHLABSRIJXQBO-ZCNNSNEGSA-N 2 1 352.478 3.443 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000435383783 500964154 /nfs/dbraw/zinc/96/41/54/500964154.db2.gz JWAGEFMZFIMFGM-UHFFFAOYSA-N 2 1 363.303 3.271 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@H]12 ZINC000435388600 500966103 /nfs/dbraw/zinc/96/61/03/500966103.db2.gz HLVRJUMSJFQMPY-RYQLBKOJSA-N 2 1 364.415 3.119 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611772 501001713 /nfs/dbraw/zinc/00/17/13/501001713.db2.gz CVHCRTWFGLRORT-NQIIRXRSSA-N 2 1 371.550 3.418 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611772 501001716 /nfs/dbraw/zinc/00/17/16/501001716.db2.gz CVHCRTWFGLRORT-NQIIRXRSSA-N 2 1 371.550 3.418 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617247 501002711 /nfs/dbraw/zinc/00/27/11/501002711.db2.gz VOPDLHFABMNRJH-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617247 501002714 /nfs/dbraw/zinc/00/27/14/501002714.db2.gz VOPDLHFABMNRJH-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692170 501012893 /nfs/dbraw/zinc/01/28/93/501012893.db2.gz FQRBZNKOVZGZHD-AEFFLSMTSA-N 2 1 361.555 3.093 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692170 501012894 /nfs/dbraw/zinc/01/28/94/501012894.db2.gz FQRBZNKOVZGZHD-AEFFLSMTSA-N 2 1 361.555 3.093 20 0 FGADMP CCn1ccnc1C[N@@H+](CCc1ccc(OC)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699296 501014077 /nfs/dbraw/zinc/01/40/77/501014077.db2.gz ZLWYXCSSLCKUJM-FQEVSTJZSA-N 2 1 368.525 3.098 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496789 501017534 /nfs/dbraw/zinc/01/75/34/501017534.db2.gz JQMYQYPOXRIMPP-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496789 501017537 /nfs/dbraw/zinc/01/75/37/501017537.db2.gz JQMYQYPOXRIMPP-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496789 501017538 /nfs/dbraw/zinc/01/75/38/501017538.db2.gz JQMYQYPOXRIMPP-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496789 501017541 /nfs/dbraw/zinc/01/75/41/501017541.db2.gz JQMYQYPOXRIMPP-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500708 501019933 /nfs/dbraw/zinc/01/99/33/501019933.db2.gz NFJBIVKLQXBQEG-FSSWDIPSSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500708 501019935 /nfs/dbraw/zinc/01/99/35/501019935.db2.gz NFJBIVKLQXBQEG-FSSWDIPSSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500708 501019936 /nfs/dbraw/zinc/01/99/36/501019936.db2.gz NFJBIVKLQXBQEG-FSSWDIPSSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500708 501019938 /nfs/dbraw/zinc/01/99/38/501019938.db2.gz NFJBIVKLQXBQEG-FSSWDIPSSA-N 2 1 363.590 3.469 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445889739 501047197 /nfs/dbraw/zinc/04/71/97/501047197.db2.gz IIOZNNBYYNQBFO-HNNXBMFYSA-N 2 1 350.260 3.410 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@H]1CCOc2ccc(Br)cc21 ZINC000445889739 501047199 /nfs/dbraw/zinc/04/71/99/501047199.db2.gz IIOZNNBYYNQBFO-HNNXBMFYSA-N 2 1 350.260 3.410 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440778842 501047760 /nfs/dbraw/zinc/04/77/60/501047760.db2.gz BUQPCANFDUYZCB-ACBHZAAOSA-N 2 1 352.567 3.061 20 0 FGADMP COC(=O)CC1(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000440799894 501049845 /nfs/dbraw/zinc/04/98/45/501049845.db2.gz MZTVDGFFEOBSBH-QFIPXVFZSA-N 2 1 356.510 3.318 20 0 FGADMP COC(=O)CC1(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000440799894 501049847 /nfs/dbraw/zinc/04/98/47/501049847.db2.gz MZTVDGFFEOBSBH-QFIPXVFZSA-N 2 1 356.510 3.318 20 0 FGADMP COC(=O)CC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000440799894 501049849 /nfs/dbraw/zinc/04/98/49/501049849.db2.gz MZTVDGFFEOBSBH-QFIPXVFZSA-N 2 1 356.510 3.318 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000440799894 501049853 /nfs/dbraw/zinc/04/98/53/501049853.db2.gz MZTVDGFFEOBSBH-QFIPXVFZSA-N 2 1 356.510 3.318 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674875 501059202 /nfs/dbraw/zinc/05/92/02/501059202.db2.gz XIAGZHLNJGAETL-IAGOWNOFSA-N 2 1 358.448 3.390 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674875 501059203 /nfs/dbraw/zinc/05/92/03/501059203.db2.gz XIAGZHLNJGAETL-IAGOWNOFSA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674875 501059205 /nfs/dbraw/zinc/05/92/05/501059205.db2.gz XIAGZHLNJGAETL-IAGOWNOFSA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674875 501059208 /nfs/dbraw/zinc/05/92/08/501059208.db2.gz XIAGZHLNJGAETL-IAGOWNOFSA-N 2 1 358.448 3.390 20 0 FGADMP Cc1ccc(C)c(OCC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000441051650 501079753 /nfs/dbraw/zinc/07/97/53/501079753.db2.gz RNUZSHYPKXLRFR-UHFFFAOYSA-N 2 1 359.558 3.173 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449770394 501082016 /nfs/dbraw/zinc/08/20/16/501082016.db2.gz IQOLMGAFPNSFIJ-AYWYSENESA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449770394 501082019 /nfs/dbraw/zinc/08/20/19/501082019.db2.gz IQOLMGAFPNSFIJ-AYWYSENESA-N 2 1 368.525 3.283 20 0 FGADMP Cn1ccnc1[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449772262 501082930 /nfs/dbraw/zinc/08/29/30/501082930.db2.gz KSOHLMFRTFPGRH-VQTJNVASSA-N 2 1 370.541 3.388 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270370 501111492 /nfs/dbraw/zinc/11/14/92/501111492.db2.gz OHYSNWTWLYLNGX-QGPMSJSTSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270370 501111495 /nfs/dbraw/zinc/11/14/95/501111495.db2.gz OHYSNWTWLYLNGX-QGPMSJSTSA-N 2 1 372.431 3.268 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1(C)C ZINC000441332243 501121788 /nfs/dbraw/zinc/12/17/88/501121788.db2.gz JQBFRPJAICZJQA-UHFFFAOYSA-N 2 1 367.537 3.381 20 0 FGADMP C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@@H]1CCCC[NH+]1C ZINC000441334507 501122223 /nfs/dbraw/zinc/12/22/23/501122223.db2.gz VZIKVLFJOACJNZ-FQEVSTJZSA-N 2 1 370.545 3.317 20 0 FGADMP C[NH+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@@H]1CCCC[N@@H+]1C ZINC000441334507 501122226 /nfs/dbraw/zinc/12/22/26/501122226.db2.gz VZIKVLFJOACJNZ-FQEVSTJZSA-N 2 1 370.545 3.317 20 0 FGADMP C[NH+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@@H]1CCCC[N@H+]1C ZINC000441334507 501122227 /nfs/dbraw/zinc/12/22/27/501122227.db2.gz VZIKVLFJOACJNZ-FQEVSTJZSA-N 2 1 370.545 3.317 20 0 FGADMP COc1ccc(-c2ccccc2)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349834 501125099 /nfs/dbraw/zinc/12/50/99/501125099.db2.gz UPXVRKMKRPVMQH-UHFFFAOYSA-N 2 1 367.537 3.478 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356285 501126286 /nfs/dbraw/zinc/12/62/86/501126286.db2.gz LOJBQAXDQSXBMK-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356285 501126289 /nfs/dbraw/zinc/12/62/89/501126289.db2.gz LOJBQAXDQSXBMK-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356285 501126290 /nfs/dbraw/zinc/12/62/90/501126290.db2.gz LOJBQAXDQSXBMK-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356285 501126292 /nfs/dbraw/zinc/12/62/92/501126292.db2.gz LOJBQAXDQSXBMK-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@@H]1CCCC[NH+]1C ZINC000441367102 501127829 /nfs/dbraw/zinc/12/78/29/501127829.db2.gz GZCGHAOTPHNDTP-FPOVZHCZSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@@H]1CCCC[N@@H+]1C ZINC000441367102 501127834 /nfs/dbraw/zinc/12/78/34/501127834.db2.gz GZCGHAOTPHNDTP-FPOVZHCZSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@@H]1CCCC[N@H+]1C ZINC000441367102 501127838 /nfs/dbraw/zinc/12/78/38/501127838.db2.gz GZCGHAOTPHNDTP-FPOVZHCZSA-N 2 1 357.542 3.377 20 0 FGADMP C[C@@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000446596397 501139747 /nfs/dbraw/zinc/13/97/47/501139747.db2.gz ZIOGPTLVWCLPAJ-SFHVURJKSA-N 2 1 368.525 3.433 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000450531977 501146707 /nfs/dbraw/zinc/14/67/07/501146707.db2.gz VSZKBQFGOXXJLP-SJORKVTESA-N 2 1 355.482 3.321 20 0 FGADMP CC[C@H]1CCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062310 501169314 /nfs/dbraw/zinc/16/93/14/501169314.db2.gz UAXSPXSDXGDWSE-PZJWPPBQSA-N 2 1 363.590 3.467 20 0 FGADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450984879 501236890 /nfs/dbraw/zinc/23/68/90/501236890.db2.gz YPQIGLCWDWMJIS-PKTZIBPZSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450984879 501236891 /nfs/dbraw/zinc/23/68/91/501236891.db2.gz YPQIGLCWDWMJIS-PKTZIBPZSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000450984879 501236892 /nfs/dbraw/zinc/23/68/92/501236892.db2.gz YPQIGLCWDWMJIS-PKTZIBPZSA-N 2 1 350.506 3.188 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)CO2 ZINC000453078837 501264660 /nfs/dbraw/zinc/26/46/60/501264660.db2.gz XPWVYVNHYYLBOH-KRWDZBQOSA-N 2 1 367.424 3.422 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc2)C1 ZINC000457641756 501274552 /nfs/dbraw/zinc/27/45/52/501274552.db2.gz DJRDESCWWPYXOQ-QGZVFWFLSA-N 2 1 360.546 3.058 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)no1 ZINC000453129074 501275416 /nfs/dbraw/zinc/27/54/16/501275416.db2.gz DIIALLUAXBYGNB-OTWHNJEPSA-N 2 1 354.498 3.207 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CCC1 ZINC000453153717 501280611 /nfs/dbraw/zinc/28/06/11/501280611.db2.gz RAFZBPABDQEPOL-YPAWHYETSA-N 2 1 369.553 3.326 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453161142 501281880 /nfs/dbraw/zinc/28/18/80/501281880.db2.gz IRPSNRGWMWHKNC-OOYIDZMOSA-N 2 1 370.537 3.357 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453207938 501291083 /nfs/dbraw/zinc/29/10/83/501291083.db2.gz BYDNDIJXIDSGER-QUCCMNQESA-N 2 1 352.478 3.110 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453211796 501291738 /nfs/dbraw/zinc/29/17/38/501291738.db2.gz HAGAULINZIZQTI-KAOXLYBCSA-N 2 1 369.553 3.278 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525290 501312784 /nfs/dbraw/zinc/31/27/84/501312784.db2.gz AMMWEZRLPHHFLJ-NZQKXSOJSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525290 501312787 /nfs/dbraw/zinc/31/27/87/501312787.db2.gz AMMWEZRLPHHFLJ-NZQKXSOJSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525290 501312789 /nfs/dbraw/zinc/31/27/89/501312789.db2.gz AMMWEZRLPHHFLJ-NZQKXSOJSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525290 501312792 /nfs/dbraw/zinc/31/27/92/501312792.db2.gz AMMWEZRLPHHFLJ-NZQKXSOJSA-N 2 1 369.553 3.330 20 0 FGADMP CC[C@H]1CN(C(=O)N[C@H](C)c2nccn2CC)CCN1Cc1ccccc1 ZINC000455479874 501314369 /nfs/dbraw/zinc/31/43/69/501314369.db2.gz VQDUNTJQEAENKA-MJGOQNOKSA-N 2 1 369.513 3.270 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534221 501314899 /nfs/dbraw/zinc/31/48/99/501314899.db2.gz NEGYMYVBTICQGI-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534221 501314900 /nfs/dbraw/zinc/31/49/00/501314900.db2.gz NEGYMYVBTICQGI-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534221 501314903 /nfs/dbraw/zinc/31/49/03/501314903.db2.gz NEGYMYVBTICQGI-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534221 501314905 /nfs/dbraw/zinc/31/49/05/501314905.db2.gz NEGYMYVBTICQGI-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453385040 501322846 /nfs/dbraw/zinc/32/28/46/501322846.db2.gz DBCPRSWBQREMPY-AYWYSENESA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453385040 501322848 /nfs/dbraw/zinc/32/28/48/501322848.db2.gz DBCPRSWBQREMPY-AYWYSENESA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000582481201 506246856 /nfs/dbraw/zinc/24/68/56/506246856.db2.gz IHVNILFLKWBFFZ-SJLPKXTDSA-N 2 1 354.922 3.324 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455612237 501346748 /nfs/dbraw/zinc/34/67/48/501346748.db2.gz AWGVNGJSHSJPJG-MAUKXSAKSA-N 2 1 351.454 3.456 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457978599 501348931 /nfs/dbraw/zinc/34/89/31/501348931.db2.gz KFAZPSZDGGVNBY-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172538 501384184 /nfs/dbraw/zinc/38/41/84/501384184.db2.gz QUEXZQNDVCRSLG-UGKGYDQZSA-N 2 1 371.569 3.178 20 0 FGADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229436 501399010 /nfs/dbraw/zinc/39/90/10/501399010.db2.gz UZYNLTBLVXTOOM-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229436 501399011 /nfs/dbraw/zinc/39/90/11/501399011.db2.gz UZYNLTBLVXTOOM-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000458229436 501399015 /nfs/dbraw/zinc/39/90/15/501399015.db2.gz UZYNLTBLVXTOOM-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000458229436 501399017 /nfs/dbraw/zinc/39/90/17/501399017.db2.gz UZYNLTBLVXTOOM-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455910853 501413214 /nfs/dbraw/zinc/41/32/14/501413214.db2.gz IXXVMUWUFCXLSQ-HBFSDRIKSA-N 2 1 356.514 3.326 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@H](C)C1 ZINC000455944825 501422603 /nfs/dbraw/zinc/42/26/03/501422603.db2.gz WBFLLKVGDKSTDK-XPGWFJOJSA-N 2 1 358.530 3.430 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367858 501428470 /nfs/dbraw/zinc/42/84/70/501428470.db2.gz IIVWOEZIWIPPCM-MSOLQXFVSA-N 2 1 360.546 3.147 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373650 501430225 /nfs/dbraw/zinc/43/02/25/501430225.db2.gz IVOUPEILNNHVAI-WIYYLYMNSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000458373650 501430227 /nfs/dbraw/zinc/43/02/27/501430227.db2.gz IVOUPEILNNHVAI-WIYYLYMNSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000458373650 501430230 /nfs/dbraw/zinc/43/02/30/501430230.db2.gz IVOUPEILNNHVAI-WIYYLYMNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](CCNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+](C)Cc1ccccc1 ZINC000458509779 501462393 /nfs/dbraw/zinc/46/23/93/501462393.db2.gz PCGZWGIUXVQQHL-QGZVFWFLSA-N 2 1 365.481 3.044 20 0 FGADMP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000458544402 501470458 /nfs/dbraw/zinc/47/04/58/501470458.db2.gz XUSJCSRAZKCREF-SJORKVTESA-N 2 1 369.513 3.367 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454217528 501485269 /nfs/dbraw/zinc/48/52/69/501485269.db2.gz IARSTTLGOIHVLO-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000611686671 506256361 /nfs/dbraw/zinc/25/63/61/506256361.db2.gz DRHOTBJQLMEKGL-GOSISDBHSA-N 2 1 368.953 3.172 20 0 FGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458654959 501499940 /nfs/dbraw/zinc/49/99/40/501499940.db2.gz BWDGGRFZDPKMOH-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367194 501524747 /nfs/dbraw/zinc/52/47/47/501524747.db2.gz NSAWSBYMKDYSNU-YLJYHZDGSA-N 2 1 370.541 3.138 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000458785440 501531244 /nfs/dbraw/zinc/53/12/44/501531244.db2.gz WMROUIWHIMNIFE-GGPKGHCWSA-N 2 1 360.546 3.017 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000454593432 501586930 /nfs/dbraw/zinc/58/69/30/501586930.db2.gz LMGMDURAWLTIFU-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593432 501586931 /nfs/dbraw/zinc/58/69/31/501586931.db2.gz LMGMDURAWLTIFU-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593432 501586932 /nfs/dbraw/zinc/58/69/32/501586932.db2.gz LMGMDURAWLTIFU-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP CSC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027466 501603961 /nfs/dbraw/zinc/60/39/61/501603961.db2.gz VMWKMDSTFJYLSJ-PMACEKPBSA-N 2 1 362.583 3.333 20 0 FGADMP C[C@H](c1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000454780989 501628139 /nfs/dbraw/zinc/62/81/39/501628139.db2.gz WGDMKSIDZUJNTQ-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H](NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000454801495 501633157 /nfs/dbraw/zinc/63/31/57/501633157.db2.gz DAWHYMGVKPKSOG-QGZVFWFLSA-N 2 1 364.578 3.179 20 0 FGADMP CCC[N@H+](Cc1cc(COC)on1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000459340197 501634866 /nfs/dbraw/zinc/63/48/66/501634866.db2.gz FCGMIQUWAVYUQR-UHFFFAOYSA-N 2 1 373.501 3.109 20 0 FGADMP CCC[N@@H+](Cc1cc(COC)on1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000459340197 501634867 /nfs/dbraw/zinc/63/48/67/501634867.db2.gz FCGMIQUWAVYUQR-UHFFFAOYSA-N 2 1 373.501 3.109 20 0 FGADMP C[C@H]1CN(c2ccccc2CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348703 501636501 /nfs/dbraw/zinc/63/65/01/501636501.db2.gz WUKJNDXWQXIVQI-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348703 501636503 /nfs/dbraw/zinc/63/65/03/501636503.db2.gz WUKJNDXWQXIVQI-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348703 501636506 /nfs/dbraw/zinc/63/65/06/501636506.db2.gz WUKJNDXWQXIVQI-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000459348703 501636509 /nfs/dbraw/zinc/63/65/09/501636509.db2.gz WUKJNDXWQXIVQI-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348703 501636512 /nfs/dbraw/zinc/63/65/12/501636512.db2.gz WUKJNDXWQXIVQI-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459349929 501636842 /nfs/dbraw/zinc/63/68/42/501636842.db2.gz NXRAIBBYLKNQDU-KRWDZBQOSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459349929 501636845 /nfs/dbraw/zinc/63/68/45/501636845.db2.gz NXRAIBBYLKNQDU-KRWDZBQOSA-N 2 1 353.514 3.444 20 0 FGADMP CC(C)(C)C1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000459428870 501652285 /nfs/dbraw/zinc/65/22/85/501652285.db2.gz OQZVJIFGKMYFRA-XEVCZEQESA-N 2 1 357.542 3.298 20 0 FGADMP Cn1ccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccc(F)cc2)n1 ZINC000459472329 501659357 /nfs/dbraw/zinc/65/93/57/501659357.db2.gz VYMXUTMQZVCDRV-OAQYLSRUSA-N 2 1 365.456 3.302 20 0 FGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)ccc1O ZINC000459491832 501663196 /nfs/dbraw/zinc/66/31/96/501663196.db2.gz VTAWZUHFCAQULU-RXVVDRJESA-N 2 1 355.482 3.311 20 0 FGADMP CCOc1cc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1O ZINC000459491832 501663198 /nfs/dbraw/zinc/66/31/98/501663198.db2.gz VTAWZUHFCAQULU-RXVVDRJESA-N 2 1 355.482 3.311 20 0 FGADMP CCOc1cc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1O ZINC000459491832 501663200 /nfs/dbraw/zinc/66/32/00/501663200.db2.gz VTAWZUHFCAQULU-RXVVDRJESA-N 2 1 355.482 3.311 20 0 FGADMP C[N@H+](CCCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206497 501665235 /nfs/dbraw/zinc/66/52/35/501665235.db2.gz SFNWIXSWRFOKAL-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206497 501665237 /nfs/dbraw/zinc/66/52/37/501665237.db2.gz SFNWIXSWRFOKAL-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP C[NH+](CCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206497 501665238 /nfs/dbraw/zinc/66/52/38/501665238.db2.gz SFNWIXSWRFOKAL-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP C[NH+](CCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206497 501665240 /nfs/dbraw/zinc/66/52/40/501665240.db2.gz SFNWIXSWRFOKAL-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173304 501730203 /nfs/dbraw/zinc/73/02/03/501730203.db2.gz GAQPSSNATFZPNY-IDGBJLRDSA-N 2 1 370.541 3.138 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CC=CCC2)c1 ZINC000477639356 501746658 /nfs/dbraw/zinc/74/66/58/501746658.db2.gz UESOMXHDPIYRJP-UHFFFAOYSA-N 2 1 363.505 3.310 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000477639356 501746663 /nfs/dbraw/zinc/74/66/63/501746663.db2.gz UESOMXHDPIYRJP-UHFFFAOYSA-N 2 1 363.505 3.310 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000477639356 501746670 /nfs/dbraw/zinc/74/66/70/501746670.db2.gz UESOMXHDPIYRJP-UHFFFAOYSA-N 2 1 363.505 3.310 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000481332311 501746715 /nfs/dbraw/zinc/74/67/15/501746715.db2.gz MTTDMRAIXHCCII-NVXWUHKLSA-N 2 1 371.481 3.321 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000481332311 501746717 /nfs/dbraw/zinc/74/67/17/501746717.db2.gz MTTDMRAIXHCCII-NVXWUHKLSA-N 2 1 371.481 3.321 20 0 FGADMP Cc1ccc(CCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000474281837 501775239 /nfs/dbraw/zinc/77/52/39/501775239.db2.gz FJYGZMMVUCRVHY-UHFFFAOYSA-N 2 1 366.553 3.072 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736891 501787238 /nfs/dbraw/zinc/78/72/38/501787238.db2.gz KXUFGMLUJYGOQJ-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470736891 501787239 /nfs/dbraw/zinc/78/72/39/501787239.db2.gz KXUFGMLUJYGOQJ-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470736891 501787243 /nfs/dbraw/zinc/78/72/43/501787243.db2.gz KXUFGMLUJYGOQJ-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC1CC[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470736900 501787298 /nfs/dbraw/zinc/78/72/98/501787298.db2.gz LBTFMGWOLOXBMB-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470775038 501798695 /nfs/dbraw/zinc/79/86/95/501798695.db2.gz VYZGRXFYPZNEJJ-QFIPXVFZSA-N 2 1 363.505 3.431 20 0 FGADMP CC1CCC(NC(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000460347221 501799501 /nfs/dbraw/zinc/79/95/01/501799501.db2.gz BIEYECZMZZMVFR-XTBIFASLSA-N 2 1 371.569 3.428 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481542454 501809270 /nfs/dbraw/zinc/80/92/70/501809270.db2.gz LRUGWWZDZZJCCP-KRWDZBQOSA-N 2 1 373.516 3.138 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000477983705 501845724 /nfs/dbraw/zinc/84/57/24/501845724.db2.gz AYCNWQDPVQKJFL-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000477983705 501845730 /nfs/dbraw/zinc/84/57/30/501845730.db2.gz AYCNWQDPVQKJFL-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000477983705 501845735 /nfs/dbraw/zinc/84/57/35/501845735.db2.gz AYCNWQDPVQKJFL-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694946 501847315 /nfs/dbraw/zinc/84/73/15/501847315.db2.gz COMBQNMHSWCVNK-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694946 501847319 /nfs/dbraw/zinc/84/73/19/501847319.db2.gz COMBQNMHSWCVNK-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694946 501847322 /nfs/dbraw/zinc/84/73/22/501847322.db2.gz COMBQNMHSWCVNK-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694946 501847324 /nfs/dbraw/zinc/84/73/24/501847324.db2.gz COMBQNMHSWCVNK-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694944 501847439 /nfs/dbraw/zinc/84/74/39/501847439.db2.gz COMBQNMHSWCVNK-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694944 501847441 /nfs/dbraw/zinc/84/74/41/501847441.db2.gz COMBQNMHSWCVNK-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694944 501847445 /nfs/dbraw/zinc/84/74/45/501847445.db2.gz COMBQNMHSWCVNK-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694944 501847450 /nfs/dbraw/zinc/84/74/50/501847450.db2.gz COMBQNMHSWCVNK-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000467700773 501848015 /nfs/dbraw/zinc/84/80/15/501848015.db2.gz NRGREKKMLXDYJP-HMXCVIKNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700773 501848021 /nfs/dbraw/zinc/84/80/21/501848021.db2.gz NRGREKKMLXDYJP-HMXCVIKNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700773 501848025 /nfs/dbraw/zinc/84/80/25/501848025.db2.gz NRGREKKMLXDYJP-HMXCVIKNSA-N 2 1 369.553 3.420 20 0 FGADMP O=C(C[N@H+]1CC=C(c2cccc(Cl)c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481752542 501874320 /nfs/dbraw/zinc/87/43/20/501874320.db2.gz VKBOGZZOYBFDLX-UHFFFAOYSA-N 2 1 373.928 3.172 20 0 FGADMP O=C(C[N@@H+]1CC=C(c2cccc(Cl)c2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481752542 501874325 /nfs/dbraw/zinc/87/43/25/501874325.db2.gz VKBOGZZOYBFDLX-UHFFFAOYSA-N 2 1 373.928 3.172 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000464068473 501889286 /nfs/dbraw/zinc/88/92/86/501889286.db2.gz XKMOMLQYISLNRJ-MKWLTTDUSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000464068473 501889292 /nfs/dbraw/zinc/88/92/92/501889292.db2.gz XKMOMLQYISLNRJ-MKWLTTDUSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000467862376 501892507 /nfs/dbraw/zinc/89/25/07/501892507.db2.gz HTVCFIOLPSEDIR-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471025518 501894132 /nfs/dbraw/zinc/89/41/32/501894132.db2.gz MRIMPNXHFCHJJH-VWPQPMDRSA-N 2 1 361.489 3.004 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471025518 501894134 /nfs/dbraw/zinc/89/41/34/501894134.db2.gz MRIMPNXHFCHJJH-VWPQPMDRSA-N 2 1 361.489 3.004 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471025518 501894137 /nfs/dbraw/zinc/89/41/37/501894137.db2.gz MRIMPNXHFCHJJH-VWPQPMDRSA-N 2 1 361.489 3.004 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471025518 501894141 /nfs/dbraw/zinc/89/41/41/501894141.db2.gz MRIMPNXHFCHJJH-VWPQPMDRSA-N 2 1 361.489 3.004 20 0 FGADMP Cc1ccc(CCC[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000474620710 501897380 /nfs/dbraw/zinc/89/73/80/501897380.db2.gz INHSMHDXRGIJTB-LJQANCHMSA-N 2 1 353.510 3.333 20 0 FGADMP Cc1ccc(CCC[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000474620710 501897384 /nfs/dbraw/zinc/89/73/84/501897384.db2.gz INHSMHDXRGIJTB-LJQANCHMSA-N 2 1 353.510 3.333 20 0 FGADMP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000468021165 501932908 /nfs/dbraw/zinc/93/29/08/501932908.db2.gz IUAHKPSLXKVVSL-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000485790163 501937982 /nfs/dbraw/zinc/93/79/82/501937982.db2.gz SLHNCSGTILTMPT-QFIPXVFZSA-N 2 1 365.521 3.371 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000485790163 501937987 /nfs/dbraw/zinc/93/79/87/501937987.db2.gz SLHNCSGTILTMPT-QFIPXVFZSA-N 2 1 365.521 3.371 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351558 501964202 /nfs/dbraw/zinc/96/42/02/501964202.db2.gz LVRDIUVOCREOLN-FCHUYYIVSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000464351558 501964212 /nfs/dbraw/zinc/96/42/12/501964212.db2.gz LVRDIUVOCREOLN-FCHUYYIVSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000464351558 501964215 /nfs/dbraw/zinc/96/42/15/501964215.db2.gz LVRDIUVOCREOLN-FCHUYYIVSA-N 2 1 369.553 3.279 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000482134193 501984812 /nfs/dbraw/zinc/98/48/12/501984812.db2.gz BFOZXFUASACETC-ZBFHGGJFSA-N 2 1 352.910 3.164 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000474939389 501999004 /nfs/dbraw/zinc/99/90/04/501999004.db2.gz AWDHVLSAVQYKFM-SYGLAOGMSA-N 2 1 358.526 3.464 20 0 FGADMP C[C@@H](C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033792 502028791 /nfs/dbraw/zinc/02/87/91/502028791.db2.gz SJABYYTVKBHVLN-RXVVDRJESA-N 2 1 353.510 3.141 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127661 502069442 /nfs/dbraw/zinc/06/94/42/502069442.db2.gz DEPSPCXMADLJOT-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127661 502069447 /nfs/dbraw/zinc/06/94/47/502069447.db2.gz DEPSPCXMADLJOT-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127661 502069453 /nfs/dbraw/zinc/06/94/53/502069453.db2.gz DEPSPCXMADLJOT-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000486192660 502078013 /nfs/dbraw/zinc/07/80/13/502078013.db2.gz LHRIVUYLPQMFOC-RTWAWAEBSA-N 2 1 355.526 3.371 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475176434 502091321 /nfs/dbraw/zinc/09/13/21/502091321.db2.gz MRQWAVUBMRAQHH-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475176434 502091326 /nfs/dbraw/zinc/09/13/26/502091326.db2.gz MRQWAVUBMRAQHH-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475176434 502091330 /nfs/dbraw/zinc/09/13/30/502091330.db2.gz MRQWAVUBMRAQHH-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825198 502108209 /nfs/dbraw/zinc/10/82/09/502108209.db2.gz CFMWQLVOADXIJN-FPOVZHCZSA-N 2 1 374.573 3.347 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC000461468260 502125414 /nfs/dbraw/zinc/12/54/14/502125414.db2.gz HOAQHWYQJBGDNA-HXUWFJFHSA-N 2 1 355.526 3.033 20 0 FGADMP COc1ccc2oc(C[NH2+]C[C@]3(O)CCN(Cc4ccccc4)C3)cc2c1 ZINC000482611109 502126710 /nfs/dbraw/zinc/12/67/10/502126710.db2.gz ZTDKQZUYJFXDAZ-JOCHJYFZSA-N 2 1 366.461 3.168 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC000461474928 502128984 /nfs/dbraw/zinc/12/89/84/502128984.db2.gz TXVJIHJCFOAUON-PMACEKPBSA-N 2 1 366.509 3.179 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC000461474928 502128985 /nfs/dbraw/zinc/12/89/85/502128985.db2.gz TXVJIHJCFOAUON-PMACEKPBSA-N 2 1 366.509 3.179 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC000461474930 502129064 /nfs/dbraw/zinc/12/90/64/502129064.db2.gz TXVJIHJCFOAUON-VQTJNVASSA-N 2 1 366.509 3.179 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC000461474930 502129066 /nfs/dbraw/zinc/12/90/66/502129066.db2.gz TXVJIHJCFOAUON-VQTJNVASSA-N 2 1 366.509 3.179 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(=O)N2Cc3ccccc3C2)CC1 ZINC000475515882 502201201 /nfs/dbraw/zinc/20/12/01/502201201.db2.gz GUIQOHWMJFDSGD-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000461789137 502201629 /nfs/dbraw/zinc/20/16/29/502201629.db2.gz BUGLFVIFHLEPTA-HXUWFJFHSA-N 2 1 352.478 3.123 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000461799547 502205897 /nfs/dbraw/zinc/20/58/97/502205897.db2.gz QABUDIRPPLPJRE-ZCNNSNEGSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000461799547 502205904 /nfs/dbraw/zinc/20/59/04/502205904.db2.gz QABUDIRPPLPJRE-ZCNNSNEGSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000461799547 502205911 /nfs/dbraw/zinc/20/59/11/502205911.db2.gz QABUDIRPPLPJRE-ZCNNSNEGSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)s1 ZINC000482887117 502207758 /nfs/dbraw/zinc/20/77/58/502207758.db2.gz PGPWYXLOROWMDY-AWEZNQCLSA-N 2 1 357.951 3.385 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000472192546 502264335 /nfs/dbraw/zinc/26/43/35/502264335.db2.gz OJTCCMIKNOWTRV-IFMALSPDSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582575605 506303091 /nfs/dbraw/zinc/30/30/91/506303091.db2.gz YYVIFXDBFZCMTJ-KSEOMHKRSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582575605 506303100 /nfs/dbraw/zinc/30/31/00/506303100.db2.gz YYVIFXDBFZCMTJ-KSEOMHKRSA-N 2 1 369.553 3.087 20 0 FGADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000479456142 502265842 /nfs/dbraw/zinc/26/58/42/502265842.db2.gz PCBOSHCTCQHIMR-IRXDYDNUSA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000479456142 502265844 /nfs/dbraw/zinc/26/58/44/502265844.db2.gz PCBOSHCTCQHIMR-IRXDYDNUSA-N 2 1 355.320 3.193 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582575605 506303107 /nfs/dbraw/zinc/30/31/07/506303107.db2.gz YYVIFXDBFZCMTJ-KSEOMHKRSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582575605 506303113 /nfs/dbraw/zinc/30/31/13/506303113.db2.gz YYVIFXDBFZCMTJ-KSEOMHKRSA-N 2 1 369.553 3.087 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000472261114 502288326 /nfs/dbraw/zinc/28/83/26/502288326.db2.gz CNDZFSZZDNLMJR-KRWDZBQOSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000472261114 502288331 /nfs/dbraw/zinc/28/83/31/502288331.db2.gz CNDZFSZZDNLMJR-KRWDZBQOSA-N 2 1 367.921 3.020 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465532771 502293150 /nfs/dbraw/zinc/29/31/50/502293150.db2.gz GYGLQQWNSGKHDT-UXHICEINSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)c1cc(N2CC[NH+](CCc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000462084560 502300922 /nfs/dbraw/zinc/30/09/22/502300922.db2.gz NPUKRKQFVZWFRV-UHFFFAOYSA-N 2 1 353.514 3.031 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000472295462 502304060 /nfs/dbraw/zinc/30/40/60/502304060.db2.gz RGGQNPYJUGJUEY-IBGZPJMESA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000472295462 502304066 /nfs/dbraw/zinc/30/40/66/502304066.db2.gz RGGQNPYJUGJUEY-IBGZPJMESA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000462102439 502306903 /nfs/dbraw/zinc/30/69/03/502306903.db2.gz BMTRIXDIGQPBGP-SFHVURJKSA-N 2 1 355.448 3.354 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000465584509 502315828 /nfs/dbraw/zinc/31/58/28/502315828.db2.gz DOAVLXARLCFVGA-VQTJNVASSA-N 2 1 366.594 3.403 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620081 502327876 /nfs/dbraw/zinc/32/78/76/502327876.db2.gz UNBZDUHOTRFQHG-RTWAWAEBSA-N 2 1 374.573 3.441 20 0 FGADMP Cn1nnc2cc(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370010 502332661 /nfs/dbraw/zinc/33/26/61/502332661.db2.gz OXGNYOXJNWNDNB-CTNGQTDRSA-N 2 1 363.509 3.140 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000465756191 502372418 /nfs/dbraw/zinc/37/24/18/502372418.db2.gz MOZODTOJJTYCKY-FXAWDEMLSA-N 2 1 369.513 3.106 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000465756191 502372419 /nfs/dbraw/zinc/37/24/19/502372419.db2.gz MOZODTOJJTYCKY-FXAWDEMLSA-N 2 1 369.513 3.106 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766856 502377746 /nfs/dbraw/zinc/37/77/46/502377746.db2.gz YBPGPCLTFPHGSA-AHSZXGJYSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766856 502377748 /nfs/dbraw/zinc/37/77/48/502377748.db2.gz YBPGPCLTFPHGSA-AHSZXGJYSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766856 502377750 /nfs/dbraw/zinc/37/77/50/502377750.db2.gz YBPGPCLTFPHGSA-AHSZXGJYSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000469345086 502382264 /nfs/dbraw/zinc/38/22/64/502382264.db2.gz QSUMMIYKEGBINK-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000469520011 502449213 /nfs/dbraw/zinc/44/92/13/502449213.db2.gz BXRFTKIKCJRHCA-RTBURBONSA-N 2 1 369.619 3.174 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000466030163 502459274 /nfs/dbraw/zinc/45/92/74/502459274.db2.gz BHLMPFXXXMCVID-RXVVDRJESA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000466030163 502459276 /nfs/dbraw/zinc/45/92/76/502459276.db2.gz BHLMPFXXXMCVID-RXVVDRJESA-N 2 1 372.557 3.120 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588708662 506314859 /nfs/dbraw/zinc/31/48/59/506314859.db2.gz BOJXVBMEJAERIW-HDICACEKSA-N 2 1 373.541 3.009 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000588708662 506314868 /nfs/dbraw/zinc/31/48/68/506314868.db2.gz BOJXVBMEJAERIW-HDICACEKSA-N 2 1 373.541 3.009 20 0 FGADMP COc1cc(OC)cc(N2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)c1 ZINC000472933637 502475451 /nfs/dbraw/zinc/47/54/51/502475451.db2.gz KISHVJLLSFPTIU-SFHVURJKSA-N 2 1 361.530 3.090 20 0 FGADMP COc1cc(OC)cc(N2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472933637 502475454 /nfs/dbraw/zinc/47/54/54/502475454.db2.gz KISHVJLLSFPTIU-SFHVURJKSA-N 2 1 361.530 3.090 20 0 FGADMP COc1cc(OC)cc(N2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000472933637 502475455 /nfs/dbraw/zinc/47/54/55/502475455.db2.gz KISHVJLLSFPTIU-SFHVURJKSA-N 2 1 361.530 3.090 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000483753998 502483865 /nfs/dbraw/zinc/48/38/65/502483865.db2.gz ARCUQQFDBSTHQS-MKXGPGLRSA-N 2 1 366.594 3.257 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472990668 502493146 /nfs/dbraw/zinc/49/31/46/502493146.db2.gz MPJAYWMGTNLUIY-OAQYLSRUSA-N 2 1 357.542 3.233 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007256 502497494 /nfs/dbraw/zinc/49/74/94/502497494.db2.gz GIUQVJKCZCRUPG-TZIWHRDSSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000473007256 502497497 /nfs/dbraw/zinc/49/74/97/502497497.db2.gz GIUQVJKCZCRUPG-TZIWHRDSSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000473007256 502497500 /nfs/dbraw/zinc/49/75/00/502497500.db2.gz GIUQVJKCZCRUPG-TZIWHRDSSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018815 502500877 /nfs/dbraw/zinc/50/08/77/502500877.db2.gz DPCJSDQRYOFLIB-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000473018815 502500881 /nfs/dbraw/zinc/50/08/81/502500881.db2.gz DPCJSDQRYOFLIB-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000473018815 502500883 /nfs/dbraw/zinc/50/08/83/502500883.db2.gz DPCJSDQRYOFLIB-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502508991 /nfs/dbraw/zinc/50/89/91/502508991.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502508995 /nfs/dbraw/zinc/50/89/95/502508995.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502508999 /nfs/dbraw/zinc/50/89/99/502508999.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502509004 /nfs/dbraw/zinc/50/90/04/502509004.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235202 502509007 /nfs/dbraw/zinc/50/90/07/502509007.db2.gz YDAXFPWPTPOECV-REWPJTCUSA-N 2 1 373.585 3.161 20 0 FGADMP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476546396 502520447 /nfs/dbraw/zinc/52/04/47/502520447.db2.gz VMONMODLMJWLJA-LJQANCHMSA-N 2 1 362.562 3.053 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765932 502537436 /nfs/dbraw/zinc/53/74/36/502537436.db2.gz AETTYZOHUDQRBX-HOCLYGCPSA-N 2 1 362.411 3.404 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765932 502537440 /nfs/dbraw/zinc/53/74/40/502537440.db2.gz AETTYZOHUDQRBX-HOCLYGCPSA-N 2 1 362.411 3.404 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000480419356 502564588 /nfs/dbraw/zinc/56/45/88/502564588.db2.gz RSYKBMMTIZZEKS-TYPHKJRUSA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480419356 502564594 /nfs/dbraw/zinc/56/45/94/502564594.db2.gz RSYKBMMTIZZEKS-TYPHKJRUSA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480419356 502564601 /nfs/dbraw/zinc/56/46/01/502564601.db2.gz RSYKBMMTIZZEKS-TYPHKJRUSA-N 2 1 374.569 3.448 20 0 FGADMP CN(Cc1cc(Br)cc2c1OCC2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000462785159 502571255 /nfs/dbraw/zinc/57/12/55/502571255.db2.gz NFRXIEKQOPEDKT-CYBMUJFWSA-N 2 1 353.304 3.158 20 0 FGADMP COCC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@H]1CCC[C@@H]1C ZINC000487964526 502583008 /nfs/dbraw/zinc/58/30/08/502583008.db2.gz UGLMPNILJGZNNL-QSFXBCCZSA-N 2 1 359.514 3.151 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000469884058 502583904 /nfs/dbraw/zinc/58/39/04/502583904.db2.gz YHQCDOVDMVNNRR-GHJWDPDVSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000469884058 502583910 /nfs/dbraw/zinc/58/39/10/502583910.db2.gz YHQCDOVDMVNNRR-GHJWDPDVSA-N 2 1 369.303 3.026 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000484175867 502593592 /nfs/dbraw/zinc/59/35/92/502593592.db2.gz RREIJSWTJPCQHV-ACIOBRDBSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000484175867 502593598 /nfs/dbraw/zinc/59/35/98/502593598.db2.gz RREIJSWTJPCQHV-ACIOBRDBSA-N 2 1 350.506 3.455 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CCC(C)(C)O3)CC2)CC1 ZINC000480576164 502608456 /nfs/dbraw/zinc/60/84/56/502608456.db2.gz GCDGINREFALLGC-HXUWFJFHSA-N 2 1 351.579 3.072 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCC(C)(C)O1 ZINC000480576164 502608461 /nfs/dbraw/zinc/60/84/61/502608461.db2.gz GCDGINREFALLGC-HXUWFJFHSA-N 3 1 351.579 3.072 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCC(C)(C)O1 ZINC000480576164 502608466 /nfs/dbraw/zinc/60/84/66/502608466.db2.gz GCDGINREFALLGC-HXUWFJFHSA-N 3 1 351.579 3.072 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000462885393 502612879 /nfs/dbraw/zinc/61/28/79/502612879.db2.gz UPHJWAYLPMFFNA-QFIPXVFZSA-N 2 1 365.521 3.307 20 0 FGADMP Cc1cccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000480612367 502621358 /nfs/dbraw/zinc/62/13/58/502621358.db2.gz RKYHRJKRMQOQOH-SFHVURJKSA-N 2 1 351.494 3.233 20 0 FGADMP CC(C)c1cc(NC2CC[NH+](CCc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000462927560 502629209 /nfs/dbraw/zinc/62/92/09/502629209.db2.gz MVTMRDHUVYETKQ-UHFFFAOYSA-N 2 1 367.541 3.207 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)C[C@@H](C)O1 ZINC000462957233 502642473 /nfs/dbraw/zinc/64/24/73/502642473.db2.gz LOEQPOYRRQTORH-HUUCEWRRSA-N 2 1 370.488 3.069 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000470117913 502666327 /nfs/dbraw/zinc/66/63/27/502666327.db2.gz RBVMGDMJNOWRQZ-OKZBNKHCSA-N 2 1 359.514 3.219 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1 ZINC000470117913 502666333 /nfs/dbraw/zinc/66/63/33/502666333.db2.gz RBVMGDMJNOWRQZ-OKZBNKHCSA-N 2 1 359.514 3.219 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1 ZINC000470117913 502666337 /nfs/dbraw/zinc/66/63/37/502666337.db2.gz RBVMGDMJNOWRQZ-OKZBNKHCSA-N 2 1 359.514 3.219 20 0 FGADMP C[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000463052303 502676906 /nfs/dbraw/zinc/67/69/06/502676906.db2.gz FHMQVKGYFGTJBU-GOSISDBHSA-N 2 1 357.546 3.021 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000463052303 502676908 /nfs/dbraw/zinc/67/69/08/502676908.db2.gz FHMQVKGYFGTJBU-GOSISDBHSA-N 2 1 357.546 3.021 20 0 FGADMP C[C@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183988 502702115 /nfs/dbraw/zinc/70/21/15/502702115.db2.gz BMUCCOITPPDLEI-PXNSSMCTSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463161581 502709309 /nfs/dbraw/zinc/70/93/09/502709309.db2.gz NOJRSYCWJBJGFJ-YZGWKJHDSA-N 2 1 367.541 3.359 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463161581 502709315 /nfs/dbraw/zinc/70/93/15/502709315.db2.gz NOJRSYCWJBJGFJ-YZGWKJHDSA-N 2 1 367.541 3.359 20 0 FGADMP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1C ZINC000480944092 502710374 /nfs/dbraw/zinc/71/03/74/502710374.db2.gz YFRVJKPYJYONKZ-FQEVSTJZSA-N 2 1 360.546 3.437 20 0 FGADMP C[C@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000463173214 502711249 /nfs/dbraw/zinc/71/12/49/502711249.db2.gz SAWFFGPCABOVJM-APWZRJJASA-N 2 1 361.555 3.360 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243764 502714116 /nfs/dbraw/zinc/71/41/16/502714116.db2.gz PJDPPGLAYVAELC-RKVPGOIHSA-N 2 1 371.447 3.484 20 0 FGADMP CC[C@H]1C[C@@H](C)C[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000466906922 502721866 /nfs/dbraw/zinc/72/18/66/502721866.db2.gz ADPIFYAHXYQWGP-NQIIRXRSSA-N 2 1 357.542 3.150 20 0 FGADMP CC[C@H]1C[C@@H](C)C[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000466906922 502721871 /nfs/dbraw/zinc/72/18/71/502721871.db2.gz ADPIFYAHXYQWGP-NQIIRXRSSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484752432 502732095 /nfs/dbraw/zinc/73/20/95/502732095.db2.gz WJSIBCCHJABVID-KURKYZTESA-N 2 1 352.906 3.164 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488507092 502734851 /nfs/dbraw/zinc/73/48/51/502734851.db2.gz VWALLGMJVSPMFG-WAOWUJCRSA-N 2 1 372.557 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1 ZINC000488507092 502734856 /nfs/dbraw/zinc/73/48/56/502734856.db2.gz VWALLGMJVSPMFG-WAOWUJCRSA-N 2 1 372.557 3.010 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000488513704 502737383 /nfs/dbraw/zinc/73/73/83/502737383.db2.gz HUMLGTQRSXHXNJ-NQIIRXRSSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cccc(Br)c21 ZINC000481056094 502741889 /nfs/dbraw/zinc/74/18/89/502741889.db2.gz VHJDUYOWWHXDMM-XJKCOSOUSA-N 2 1 353.304 3.044 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)Nc2cc[nH+]c(N(C)C)c2)cc1 ZINC000481126322 502761794 /nfs/dbraw/zinc/76/17/94/502761794.db2.gz OBHZCKBBJKXSJF-UHFFFAOYSA-N 2 1 356.470 3.121 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)(C)C ZINC000463362159 502770930 /nfs/dbraw/zinc/77/09/30/502770930.db2.gz QNOQOKQQJXMKLY-UHFFFAOYSA-N 2 1 359.558 3.444 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938415 502782522 /nfs/dbraw/zinc/78/25/22/502782522.db2.gz QGTIKRSRENNACT-ZDEQEGDKSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938415 502782527 /nfs/dbraw/zinc/78/25/27/502782527.db2.gz QGTIKRSRENNACT-ZDEQEGDKSA-N 2 1 358.313 3.228 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000470463148 502785063 /nfs/dbraw/zinc/78/50/63/502785063.db2.gz GUAIVEUHJVSGGY-FQEVSTJZSA-N 2 1 360.546 3.194 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)C ZINC000470463148 502785065 /nfs/dbraw/zinc/78/50/65/502785065.db2.gz GUAIVEUHJVSGGY-FQEVSTJZSA-N 2 1 360.546 3.194 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474042573 502787649 /nfs/dbraw/zinc/78/76/49/502787649.db2.gz YBCZEQNHICYGCZ-UKAVVXHISA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474042573 502787655 /nfs/dbraw/zinc/78/76/55/502787655.db2.gz YBCZEQNHICYGCZ-UKAVVXHISA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474042573 502787660 /nfs/dbraw/zinc/78/76/60/502787660.db2.gz YBCZEQNHICYGCZ-UKAVVXHISA-N 2 1 372.557 3.336 20 0 FGADMP CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044566 502808672 /nfs/dbraw/zinc/80/86/72/502808672.db2.gz VVKODCBJHZQRFY-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485044566 502808678 /nfs/dbraw/zinc/80/86/78/502808678.db2.gz VVKODCBJHZQRFY-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485044566 502808682 /nfs/dbraw/zinc/80/86/82/502808682.db2.gz VVKODCBJHZQRFY-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[C@H](C)[N@H+]1C ZINC000513123873 502857767 /nfs/dbraw/zinc/85/77/67/502857767.db2.gz NSEPPTWPWZUKHG-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C[C@H](C)[N@@H+]1C ZINC000513123873 502857771 /nfs/dbraw/zinc/85/77/71/502857771.db2.gz NSEPPTWPWZUKHG-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C[C@H](C)[NH+]1C ZINC000513123873 502857774 /nfs/dbraw/zinc/85/77/74/502857774.db2.gz NSEPPTWPWZUKHG-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)[NH+]1C ZINC000513123873 502857779 /nfs/dbraw/zinc/85/77/79/502857779.db2.gz NSEPPTWPWZUKHG-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP COC(=O)c1ccc(OCCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Cl)c1 ZINC000513167080 502868530 /nfs/dbraw/zinc/86/85/30/502868530.db2.gz NTYWUGBUAOSJQR-XYPWUTKMSA-N 2 1 366.889 3.062 20 0 FGADMP COC(=O)c1ccc(OCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000513167080 502868533 /nfs/dbraw/zinc/86/85/33/502868533.db2.gz NTYWUGBUAOSJQR-XYPWUTKMSA-N 2 1 366.889 3.062 20 0 FGADMP COC(=O)c1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(Cl)c1 ZINC000513167080 502868536 /nfs/dbraw/zinc/86/85/36/502868536.db2.gz NTYWUGBUAOSJQR-XYPWUTKMSA-N 2 1 366.889 3.062 20 0 FGADMP COC(=O)c1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Cl)c1 ZINC000513167080 502868541 /nfs/dbraw/zinc/86/85/41/502868541.db2.gz NTYWUGBUAOSJQR-XYPWUTKMSA-N 2 1 366.889 3.062 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859613 502879634 /nfs/dbraw/zinc/87/96/34/502879634.db2.gz BCEJPPICCSLSHU-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500859613 502879638 /nfs/dbraw/zinc/87/96/38/502879638.db2.gz BCEJPPICCSLSHU-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500859613 502879642 /nfs/dbraw/zinc/87/96/42/502879642.db2.gz BCEJPPICCSLSHU-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000500875499 502884180 /nfs/dbraw/zinc/88/41/80/502884180.db2.gz LFMRNJSESNWDIC-OALUTQOASA-N 2 1 372.557 3.012 20 0 FGADMP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023696 502914202 /nfs/dbraw/zinc/91/42/02/502914202.db2.gz UNBIUPMITFQCBF-NQIIRXRSSA-N 2 1 372.557 3.267 20 0 FGADMP Cc1cccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501020936 502914350 /nfs/dbraw/zinc/91/43/50/502914350.db2.gz MVHLYDWJJZRNSP-UHFFFAOYSA-N 2 1 352.482 3.177 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025621 502915307 /nfs/dbraw/zinc/91/53/07/502915307.db2.gz ZKGGZFJGCSZWJR-QRVBRYPASA-N 2 1 372.557 3.123 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000509569605 502936741 /nfs/dbraw/zinc/93/67/41/502936741.db2.gz NOKWTPRYXOMSFF-FGTMMUONSA-N 2 1 364.534 3.082 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568551 502936802 /nfs/dbraw/zinc/93/68/02/502936802.db2.gz MBHYJCNFFOQUQN-RCCFBDPRSA-N 2 1 364.534 3.225 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000509569604 502936915 /nfs/dbraw/zinc/93/69/15/502936915.db2.gz NOKWTPRYXOMSFF-BZSNNMDCSA-N 2 1 364.534 3.082 20 0 FGADMP Cc1cccc(C)c1OCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000501109481 502940853 /nfs/dbraw/zinc/94/08/53/502940853.db2.gz IFJGKNXNPHOXNC-NHCUHLMSSA-N 2 1 359.558 3.173 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489491888 502971440 /nfs/dbraw/zinc/97/14/40/502971440.db2.gz FOQNXONCUOSHIS-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc2ccccc12 ZINC000505760635 502980551 /nfs/dbraw/zinc/98/05/51/502980551.db2.gz VIOMMDVTHXRVMP-MRXNPFEDSA-N 2 1 359.539 3.389 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782305 502985031 /nfs/dbraw/zinc/98/50/31/502985031.db2.gz FHAJEGVSFADBFR-LJQANCHMSA-N 2 1 371.525 3.240 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497564836 502988906 /nfs/dbraw/zinc/98/89/06/502988906.db2.gz SPPVRPQLTQQWTD-HDICACEKSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805157 502989151 /nfs/dbraw/zinc/98/91/51/502989151.db2.gz NISHQWZWEJNGEW-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509805157 502989156 /nfs/dbraw/zinc/98/91/56/502989156.db2.gz NISHQWZWEJNGEW-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509805157 502989160 /nfs/dbraw/zinc/98/91/60/502989160.db2.gz NISHQWZWEJNGEW-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819665 502992620 /nfs/dbraw/zinc/99/26/20/502992620.db2.gz SUZBDDFGKBXXKE-HXUWFJFHSA-N 2 1 359.558 3.229 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000489604386 502996267 /nfs/dbraw/zinc/99/62/67/502996267.db2.gz XTOPQCROMAPFNT-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604386 502996272 /nfs/dbraw/zinc/99/62/72/502996272.db2.gz XTOPQCROMAPFNT-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604386 502996276 /nfs/dbraw/zinc/99/62/76/502996276.db2.gz XTOPQCROMAPFNT-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000513708590 503005938 /nfs/dbraw/zinc/00/59/38/503005938.db2.gz UMRUMRVVJQPNNT-FQEVSTJZSA-N 2 1 357.542 3.056 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499209 503021373 /nfs/dbraw/zinc/02/13/73/503021373.db2.gz DPWKICAZDWOESR-SFHLNBCPSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504648 503023126 /nfs/dbraw/zinc/02/31/26/503023126.db2.gz RYPMLHLEPKZBOC-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501593058 503045658 /nfs/dbraw/zinc/04/56/58/503045658.db2.gz JVGGKWBSMFLJIV-HXUWFJFHSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501593058 503045664 /nfs/dbraw/zinc/04/56/64/503045664.db2.gz JVGGKWBSMFLJIV-HXUWFJFHSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904826 503061226 /nfs/dbraw/zinc/06/12/26/503061226.db2.gz CTVMWKZLMYCYOB-OCCSQVGLSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904826 503061231 /nfs/dbraw/zinc/06/12/31/503061231.db2.gz CTVMWKZLMYCYOB-OCCSQVGLSA-N 2 1 358.313 3.374 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000490129820 503114094 /nfs/dbraw/zinc/11/40/94/503114094.db2.gz HLQPYHWTIPIKGT-UHFFFAOYSA-N 2 1 359.558 3.260 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000490172698 503121903 /nfs/dbraw/zinc/12/19/03/503121903.db2.gz QCCZVTSGDRTULG-PXNSSMCTSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1ccc2nc(CN3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)n2c1 ZINC000506475286 503122763 /nfs/dbraw/zinc/12/27/63/503122763.db2.gz UYWPQURVGDSYNQ-MOPGFXCFSA-N 2 1 368.525 3.089 20 0 FGADMP C[C@@]1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479663 503123361 /nfs/dbraw/zinc/12/33/61/503123361.db2.gz JNMNDFKYEZTFQP-VXKWHMMOSA-N 2 1 355.526 3.033 20 0 FGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502030966 503129798 /nfs/dbraw/zinc/12/97/98/503129798.db2.gz IGUNVUUIYOVTDW-HKBOAZHASA-N 2 1 357.542 3.442 20 0 FGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527368 503133868 /nfs/dbraw/zinc/13/38/68/503133868.db2.gz XHSDUSHLUXOBCH-XMSQKQJNSA-N 2 1 353.510 3.234 20 0 FGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527368 503133872 /nfs/dbraw/zinc/13/38/72/503133872.db2.gz XHSDUSHLUXOBCH-XMSQKQJNSA-N 2 1 353.510 3.234 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCOCC4)cc2)CC1 ZINC000502276067 503173364 /nfs/dbraw/zinc/17/33/64/503173364.db2.gz QMNPDVXLGQXKMW-JOCHJYFZSA-N 2 1 371.569 3.263 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000514933084 503230754 /nfs/dbraw/zinc/23/07/54/503230754.db2.gz NOBXCCPFKUGFFA-PZJWPPBQSA-N 2 1 357.498 3.016 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000490898227 503243422 /nfs/dbraw/zinc/24/34/22/503243422.db2.gz QOUROCADAQQRPG-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109625 503274280 /nfs/dbraw/zinc/27/42/80/503274280.db2.gz TXVUUBVFNOYSIU-QOLKULSZSA-N 2 1 372.557 3.050 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851932 503275801 /nfs/dbraw/zinc/27/58/01/503275801.db2.gz FKZLSUIEFPLYQT-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851932 503275807 /nfs/dbraw/zinc/27/58/07/503275807.db2.gz FKZLSUIEFPLYQT-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP COc1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000515129168 503276409 /nfs/dbraw/zinc/27/64/09/503276409.db2.gz XUEWNKKADGXMEZ-ZCNNSNEGSA-N 2 1 352.482 3.018 20 0 FGADMP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000502822339 503280770 /nfs/dbraw/zinc/28/07/70/503280770.db2.gz BEQZONWUYQWYHW-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000502822339 503280772 /nfs/dbraw/zinc/28/07/72/503280772.db2.gz BEQZONWUYQWYHW-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000502822339 503280775 /nfs/dbraw/zinc/28/07/75/503280775.db2.gz BEQZONWUYQWYHW-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000502822339 503280779 /nfs/dbraw/zinc/28/07/79/503280779.db2.gz BEQZONWUYQWYHW-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502832396 503283719 /nfs/dbraw/zinc/28/37/19/503283719.db2.gz RMYIBOUFSLBIIV-SOAGJPPSSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+](CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000502846190 503287052 /nfs/dbraw/zinc/28/70/52/503287052.db2.gz NVGLPSGRZSWFKI-KDURUIRLSA-N 2 1 354.583 3.163 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507443269 503300182 /nfs/dbraw/zinc/30/01/82/503300182.db2.gz QPNTZFFLEZUTDI-KBXCAEBGSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cc3ccccc3n(C)c2=O)C1 ZINC000491473180 503311040 /nfs/dbraw/zinc/31/10/40/503311040.db2.gz ZZFWFNLZINJLFM-UWJYYQICSA-N 2 1 361.489 3.464 20 0 FGADMP Cc1[nH+]cc(CNc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)n1C ZINC000515312057 503312611 /nfs/dbraw/zinc/31/26/11/503312611.db2.gz FAKRCAFLFRDWFV-UHFFFAOYSA-N 2 1 355.486 3.155 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000511495630 503332042 /nfs/dbraw/zinc/33/20/42/503332042.db2.gz NXPQWTARMUXOGY-LPHOPBHVSA-N 2 1 365.477 3.274 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000511495630 503332044 /nfs/dbraw/zinc/33/20/44/503332044.db2.gz NXPQWTARMUXOGY-LPHOPBHVSA-N 2 1 365.477 3.274 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](Nc3cc[nH+]c(C)c3Cl)C2)cc(OC)c1 ZINC000499153356 503345032 /nfs/dbraw/zinc/34/50/32/503345032.db2.gz AAPHCBYBFYISHU-HNNXBMFYSA-N 2 1 361.873 3.169 20 0 FGADMP c1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)noc1-c1ccccc1 ZINC000503095705 503346000 /nfs/dbraw/zinc/34/60/00/503346000.db2.gz DUZOKWIGLBTLPD-UHFFFAOYSA-N 2 1 355.482 3.276 20 0 FGADMP CC[C@@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000515475894 503346853 /nfs/dbraw/zinc/34/68/53/503346853.db2.gz GOMRBLDUQBQVSU-FQEVSTJZSA-N 2 1 361.530 3.067 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499187135 503351646 /nfs/dbraw/zinc/35/16/46/503351646.db2.gz IEPZTKSEJPEHDU-LDLYASANSA-N 2 1 355.457 3.385 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000503199728 503366296 /nfs/dbraw/zinc/36/62/96/503366296.db2.gz SPUTYCYZNCOEQU-MJGOQNOKSA-N 2 1 352.544 3.080 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000511717060 503375744 /nfs/dbraw/zinc/37/57/44/503375744.db2.gz XELZQZAAOPUHNL-INIZCTEOSA-N 2 1 354.498 3.242 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000511717060 503375749 /nfs/dbraw/zinc/37/57/49/503375749.db2.gz XELZQZAAOPUHNL-INIZCTEOSA-N 2 1 354.498 3.242 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)s1 ZINC000511913097 503413606 /nfs/dbraw/zinc/41/36/06/503413606.db2.gz VSRJDHQKXVSXDO-UHFFFAOYSA-N 2 1 353.532 3.195 20 0 FGADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000508068126 503423101 /nfs/dbraw/zinc/42/31/01/503423101.db2.gz LUFQLJFZNQGIQM-OTWHNJEPSA-N 2 1 372.557 3.417 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499660427 503451755 /nfs/dbraw/zinc/45/17/55/503451755.db2.gz PXEFGNRDHUPMDJ-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892022 503454032 /nfs/dbraw/zinc/45/40/32/503454032.db2.gz RQDSPVWJQSWBHV-YOKBYHGQSA-N 2 1 371.447 3.188 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+](C)C ZINC000493924143 503459748 /nfs/dbraw/zinc/45/97/48/503459748.db2.gz BFEXLBNCVSPKIJ-SBHAEUEKSA-N 2 1 374.573 3.406 20 0 FGADMP CCc1ccc(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000512122307 503462559 /nfs/dbraw/zinc/46/25/59/503462559.db2.gz KXEIKXQNGFGFDS-QFIPXVFZSA-N 2 1 352.526 3.112 20 0 FGADMP C[C@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000494000582 503472574 /nfs/dbraw/zinc/47/25/74/503472574.db2.gz SLVDMWWCAAFOOY-LAUBAEHRSA-N 2 1 351.494 3.141 20 0 FGADMP CCc1cc(OC)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000503907088 503486789 /nfs/dbraw/zinc/48/67/89/503486789.db2.gz CCTXMBJRQVLMLS-RTBURBONSA-N 2 1 359.558 3.248 20 0 FGADMP O[C@H](COc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244432 503496585 /nfs/dbraw/zinc/49/65/85/503496585.db2.gz ODRYTFMXMJVLHG-GMAHTHKFSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@H](COc1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244432 503496589 /nfs/dbraw/zinc/49/65/89/503496589.db2.gz ODRYTFMXMJVLHG-GMAHTHKFSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@H](COc1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244432 503496592 /nfs/dbraw/zinc/49/65/92/503496592.db2.gz ODRYTFMXMJVLHG-GMAHTHKFSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@H](COc1ccccc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244432 503496596 /nfs/dbraw/zinc/49/65/96/503496596.db2.gz ODRYTFMXMJVLHG-GMAHTHKFSA-N 2 1 366.505 3.024 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000494247893 503512323 /nfs/dbraw/zinc/51/23/23/503512323.db2.gz NGFZWAUARMPACK-LAUBAEHRSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494247893 503512328 /nfs/dbraw/zinc/51/23/28/503512328.db2.gz NGFZWAUARMPACK-LAUBAEHRSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000494247893 503512332 /nfs/dbraw/zinc/51/23/32/503512332.db2.gz NGFZWAUARMPACK-LAUBAEHRSA-N 2 1 355.526 3.304 20 0 FGADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494266733 503516040 /nfs/dbraw/zinc/51/60/40/503516040.db2.gz AMTJSQFBWIBHAH-MOPGFXCFSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494266733 503516042 /nfs/dbraw/zinc/51/60/42/503516042.db2.gz AMTJSQFBWIBHAH-MOPGFXCFSA-N 2 1 361.917 3.220 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)Cc1cc(Br)cs1 ZINC000494277833 503518048 /nfs/dbraw/zinc/51/80/48/503518048.db2.gz VAVOZTYVZSELGZ-UHFFFAOYSA-N 2 1 372.332 3.290 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)Cc1cc(Br)cs1 ZINC000494277833 503518050 /nfs/dbraw/zinc/51/80/50/503518050.db2.gz VAVOZTYVZSELGZ-UHFFFAOYSA-N 2 1 372.332 3.290 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494458448 503545044 /nfs/dbraw/zinc/54/50/44/503545044.db2.gz SASKSWXRAFIHSN-KGVIQGDOSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494458448 503545048 /nfs/dbraw/zinc/54/50/48/503545048.db2.gz SASKSWXRAFIHSN-KGVIQGDOSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000494458448 503545049 /nfs/dbraw/zinc/54/50/49/503545049.db2.gz SASKSWXRAFIHSN-KGVIQGDOSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508872396 503584232 /nfs/dbraw/zinc/58/42/32/503584232.db2.gz RQQGDYGBVRVAKA-WIYYLYMNSA-N 2 1 372.557 3.338 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000508875640 503585281 /nfs/dbraw/zinc/58/52/81/503585281.db2.gz BMJVTKWLJNSNJO-WOCKIDEVSA-N 2 1 371.569 3.194 20 0 FGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512610835 503594577 /nfs/dbraw/zinc/59/45/77/503594577.db2.gz FJIKJRSQZXWOTG-VAMGGRTRSA-N 2 1 357.542 3.182 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000512646816 503602601 /nfs/dbraw/zinc/60/26/01/503602601.db2.gz DIYVRGYLVQLGEB-PCCBWWKXSA-N 2 1 351.494 3.481 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000516926589 503621016 /nfs/dbraw/zinc/62/10/16/503621016.db2.gz HWIVACHXKGYIDW-CVEARBPZSA-N 2 1 373.722 3.431 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927834 503621920 /nfs/dbraw/zinc/62/19/20/503621920.db2.gz HSNJMWSQDPSYMJ-HSQYWUDLSA-N 2 1 369.553 3.064 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969922 503634940 /nfs/dbraw/zinc/63/49/40/503634940.db2.gz MUAGXLIMAKFEOP-MIZPHKNDSA-N 2 1 372.553 3.339 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969922 503634944 /nfs/dbraw/zinc/63/49/44/503634944.db2.gz MUAGXLIMAKFEOP-MIZPHKNDSA-N 2 1 372.553 3.339 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000532950090 503671291 /nfs/dbraw/zinc/67/12/91/503671291.db2.gz YVTYWULWINYRTO-FQEVSTJZSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000532950090 503671298 /nfs/dbraw/zinc/67/12/98/503671298.db2.gz YVTYWULWINYRTO-FQEVSTJZSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000540146760 503688084 /nfs/dbraw/zinc/68/80/84/503688084.db2.gz KZFURICYIWOBRP-FCEUIQTBSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000540146760 503688091 /nfs/dbraw/zinc/68/80/91/503688091.db2.gz KZFURICYIWOBRP-FCEUIQTBSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000540146760 503688098 /nfs/dbraw/zinc/68/80/98/503688098.db2.gz KZFURICYIWOBRP-FCEUIQTBSA-N 2 1 358.574 3.392 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154351 503691485 /nfs/dbraw/zinc/69/14/85/503691485.db2.gz RDPLHFSFNXVMQL-IRXDYDNUSA-N 2 1 365.587 3.291 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000546266641 503691813 /nfs/dbraw/zinc/69/18/13/503691813.db2.gz HZNRAVQQYHMVQT-JOCHJYFZSA-N 2 1 362.477 3.349 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1 ZINC000540260725 503726837 /nfs/dbraw/zinc/72/68/37/503726837.db2.gz KASZBQVPVNKNPO-ICSRJNTNSA-N 2 1 358.555 3.419 20 0 FGADMP CC(C)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540300966 503732440 /nfs/dbraw/zinc/73/24/40/503732440.db2.gz FQZFGCPNBNQXAM-FQEVSTJZSA-N 2 1 374.529 3.094 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@@H](C)C1 ZINC000543405471 503757808 /nfs/dbraw/zinc/75/78/08/503757808.db2.gz XINKYULUWROKSN-OVQGTLEDSA-N 2 1 357.542 3.298 20 0 FGADMP CCn1ccnc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537021664 503778226 /nfs/dbraw/zinc/77/82/26/503778226.db2.gz HOVFPWGFHNBTMB-KDURUIRLSA-N 2 1 370.541 3.202 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271666 503787558 /nfs/dbraw/zinc/78/75/58/503787558.db2.gz LFXWCWXSXCQLQY-QGZVFWFLSA-N 2 1 361.530 3.383 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271666 503787563 /nfs/dbraw/zinc/78/75/63/503787563.db2.gz LFXWCWXSXCQLQY-QGZVFWFLSA-N 2 1 361.530 3.383 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2ccc(Cl)cc2)CC1 ZINC000517651896 503797046 /nfs/dbraw/zinc/79/70/46/503797046.db2.gz OTXBHVQZFOTNML-UHFFFAOYSA-N 2 1 372.900 3.448 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cn3ccc(C)cc3n2)C1 ZINC000517703983 503811694 /nfs/dbraw/zinc/81/16/94/503811694.db2.gz WYTGLMAANJQUNX-QGZVFWFLSA-N 2 1 371.529 3.343 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)nc(C)[nH+]1 ZINC000546653607 503825724 /nfs/dbraw/zinc/82/57/24/503825724.db2.gz LBDVXBLAMUDVMA-CMKODMSKSA-N 2 1 358.530 3.247 20 0 FGADMP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000527530500 503826483 /nfs/dbraw/zinc/82/64/83/503826483.db2.gz FGAOPFDPOTUDPX-IBGZPJMESA-N 2 1 365.456 3.018 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000540597057 503829501 /nfs/dbraw/zinc/82/95/01/503829501.db2.gz GLVJGTIBLNJRFZ-HZPDHXFCSA-N 2 1 359.283 3.086 20 0 FGADMP C[C@H](c1ccc(-c2ccc([C@H](C)[NH3+])c(F)c2)cc1)N1CC[NH+](CCO)CC1 ZINC000527589513 503845248 /nfs/dbraw/zinc/84/52/48/503845248.db2.gz SVZRBZJERVQJRR-DLBZAZTESA-N 2 1 371.500 3.183 20 0 FGADMP C[C@H]1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@H](C)C1 ZINC000533497837 503865261 /nfs/dbraw/zinc/86/52/61/503865261.db2.gz CEESVSASCRSRFO-MBOZVWFJSA-N 2 1 357.542 3.298 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(CO)ccc1F ZINC000530217862 503880962 /nfs/dbraw/zinc/88/09/62/503880962.db2.gz IOTHOGUHAKHVOE-DENIHFKCSA-N 2 1 356.485 3.490 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000543783310 503890767 /nfs/dbraw/zinc/89/07/67/503890767.db2.gz YWGSAMUGLGDQID-UHFFFAOYSA-N 2 1 355.482 3.145 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540962451 503955468 /nfs/dbraw/zinc/95/54/68/503955468.db2.gz XYNLXLSSMVGQLY-YLJYHZDGSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527810707 503955705 /nfs/dbraw/zinc/95/57/05/503955705.db2.gz HLSKWDCUBNICTJ-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810707 503955710 /nfs/dbraw/zinc/95/57/10/503955710.db2.gz HLSKWDCUBNICTJ-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000541027186 503980332 /nfs/dbraw/zinc/98/03/32/503980332.db2.gz PALMJNOHZQCPTL-INIZCTEOSA-N 2 1 373.460 3.348 20 0 FGADMP C[C@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947191 504010535 /nfs/dbraw/zinc/01/05/35/504010535.db2.gz KDZFNZRKTTVKEH-OXJNMPFZSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@@H]12 ZINC000541112256 504011593 /nfs/dbraw/zinc/01/15/93/504011593.db2.gz XXQGPLSPYZDHIP-COPCDDAFSA-N 2 1 369.553 3.409 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530590306 504019730 /nfs/dbraw/zinc/01/97/30/504019730.db2.gz JLDSKDIYVQEIJT-KRWDZBQOSA-N 2 1 362.905 3.469 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000527998828 504032525 /nfs/dbraw/zinc/03/25/25/504032525.db2.gz KAFSPRWXLHREEP-PSBKLILYSA-N 2 1 361.489 3.050 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000527998828 504032528 /nfs/dbraw/zinc/03/25/28/504032528.db2.gz KAFSPRWXLHREEP-PSBKLILYSA-N 2 1 361.489 3.050 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1)CC1CC1 ZINC000534133640 504051076 /nfs/dbraw/zinc/05/10/76/504051076.db2.gz CAXHDRFGJPPJFS-IBGZPJMESA-N 2 1 363.933 3.325 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC000534133640 504051081 /nfs/dbraw/zinc/05/10/81/504051081.db2.gz CAXHDRFGJPPJFS-IBGZPJMESA-N 2 1 363.933 3.325 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544230685 504054130 /nfs/dbraw/zinc/05/41/30/504054130.db2.gz QUIHBQABPNLFNW-AEFFLSMTSA-N 2 1 360.546 3.340 20 0 FGADMP C[N@H+](CCCNC(=O)C1CCC1)[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518771134 504058540 /nfs/dbraw/zinc/05/85/40/504058540.db2.gz JVJRFSZQZORQJQ-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518771134 504058546 /nfs/dbraw/zinc/05/85/46/504058546.db2.gz JVJRFSZQZORQJQ-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518771134 504058552 /nfs/dbraw/zinc/05/85/52/504058552.db2.gz JVJRFSZQZORQJQ-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518771134 504058558 /nfs/dbraw/zinc/05/85/58/504058558.db2.gz JVJRFSZQZORQJQ-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000530727587 504065735 /nfs/dbraw/zinc/06/57/35/504065735.db2.gz QJXCRSSLCZXZDD-LJQANCHMSA-N 2 1 372.557 3.377 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289591 504075296 /nfs/dbraw/zinc/07/52/96/504075296.db2.gz SIUFGXAARWIIKF-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528151412 504093567 /nfs/dbraw/zinc/09/35/67/504093567.db2.gz ZGOJASSHBBCQKP-DZFGPLHGSA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151412 504093573 /nfs/dbraw/zinc/09/35/73/504093573.db2.gz ZGOJASSHBBCQKP-DZFGPLHGSA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528151412 504093577 /nfs/dbraw/zinc/09/35/77/504093577.db2.gz ZGOJASSHBBCQKP-DZFGPLHGSA-N 2 1 374.573 3.052 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000537963107 504097650 /nfs/dbraw/zinc/09/76/50/504097650.db2.gz ZATUDMDDWNQHHQ-HFTRVMKXSA-N 2 1 358.448 3.176 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC000538034231 504120113 /nfs/dbraw/zinc/12/01/13/504120113.db2.gz BWKIHLZTRQSRTB-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000538034231 504120116 /nfs/dbraw/zinc/12/01/16/504120116.db2.gz BWKIHLZTRQSRTB-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000538034231 504120120 /nfs/dbraw/zinc/12/01/20/504120120.db2.gz BWKIHLZTRQSRTB-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@@](C)(OC)C3)c2)C1 ZINC000519078863 504134642 /nfs/dbraw/zinc/13/46/42/504134642.db2.gz RHSSETFADXMQDA-NHCUHLMSSA-N 2 1 361.530 3.083 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000538203725 504161236 /nfs/dbraw/zinc/16/12/36/504161236.db2.gz OXCVVYJEHNUOBQ-RBUKOAKNSA-N 2 1 351.494 3.243 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000528316442 504165636 /nfs/dbraw/zinc/16/56/36/504165636.db2.gz MFOOFUXDZKPBMS-GOSISDBHSA-N 2 1 372.900 3.434 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000528316442 504165642 /nfs/dbraw/zinc/16/56/42/504165642.db2.gz MFOOFUXDZKPBMS-GOSISDBHSA-N 2 1 372.900 3.434 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542756 504170997 /nfs/dbraw/zinc/17/09/97/504170997.db2.gz DEVMTXRDFFUSPR-RTWAWAEBSA-N 2 1 357.473 3.137 20 0 FGADMP C[C@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000531079971 504182182 /nfs/dbraw/zinc/18/21/82/504182182.db2.gz BNHDXLIFQREOPC-BASYENTBSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000544622280 504195249 /nfs/dbraw/zinc/19/52/49/504195249.db2.gz WJUPOWAGKKIZRM-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000531136044 504200257 /nfs/dbraw/zinc/20/02/57/504200257.db2.gz CCFCRFLPOLGOBA-FQEVSTJZSA-N 2 1 366.509 3.302 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000531343535 504273717 /nfs/dbraw/zinc/27/37/17/504273717.db2.gz CWLVZQFWLJCOMA-OAHLLOKOSA-N 2 1 354.878 3.001 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000531343535 504273722 /nfs/dbraw/zinc/27/37/22/504273722.db2.gz CWLVZQFWLJCOMA-OAHLLOKOSA-N 2 1 354.878 3.001 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381924 504286854 /nfs/dbraw/zinc/28/68/54/504286854.db2.gz FPNFHVJDHDKZKQ-UTYWTXRGSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381924 504286857 /nfs/dbraw/zinc/28/68/57/504286857.db2.gz FPNFHVJDHDKZKQ-UTYWTXRGSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381924 504286863 /nfs/dbraw/zinc/28/68/63/504286863.db2.gz FPNFHVJDHDKZKQ-UTYWTXRGSA-N 2 1 360.542 3.246 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2nc3ccccc3s2)CC1 ZINC000528614300 504296420 /nfs/dbraw/zinc/29/64/20/504296420.db2.gz VTRUSXYDKBDVIE-UHFFFAOYSA-N 2 1 374.554 3.110 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(C(F)(F)F)cc2)CC1 ZINC000534967149 504296774 /nfs/dbraw/zinc/29/67/74/504296774.db2.gz DAWBCNKWHKFZHM-UHFFFAOYSA-N 2 1 352.404 3.423 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000541977537 504320554 /nfs/dbraw/zinc/32/05/54/504320554.db2.gz SFEZONWQAFILKX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP O=C([C@@H]1CCCc2nc[nH]c21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000548082611 504322791 /nfs/dbraw/zinc/32/27/91/504322791.db2.gz XWIQWGMEFDDFTN-QGZVFWFLSA-N 2 1 372.900 3.218 20 0 FGADMP CC1([NH+]2CCOCC2)CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000528731619 504353172 /nfs/dbraw/zinc/35/31/72/504353172.db2.gz ZJJNFGRNUDXNOC-UHFFFAOYSA-N 2 1 371.569 3.359 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338235 504407025 /nfs/dbraw/zinc/40/70/25/504407025.db2.gz ZEOYWNYGVMBKCH-RBUKOAKNSA-N 2 1 369.509 3.065 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338235 504407033 /nfs/dbraw/zinc/40/70/33/504407033.db2.gz ZEOYWNYGVMBKCH-RBUKOAKNSA-N 2 1 369.509 3.065 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346833 504454294 /nfs/dbraw/zinc/45/42/94/504454294.db2.gz OAMTZJKNNLJVLR-UYAOXDASSA-N 2 1 372.557 3.243 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456294 /nfs/dbraw/zinc/45/62/94/504456294.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456298 /nfs/dbraw/zinc/45/62/98/504456298.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456301 /nfs/dbraw/zinc/45/63/01/504456301.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456306 /nfs/dbraw/zinc/45/63/06/504456306.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456308 /nfs/dbraw/zinc/45/63/08/504456308.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456313 /nfs/dbraw/zinc/45/63/13/504456313.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046015 504456316 /nfs/dbraw/zinc/45/63/16/504456316.db2.gz GBUOFRLCRJIRDS-NJYVYQBISA-N 3 1 353.595 3.081 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056527 504460453 /nfs/dbraw/zinc/46/04/53/504460453.db2.gz NZWAXVINKLZNRB-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056527 504460458 /nfs/dbraw/zinc/46/04/58/504460458.db2.gz NZWAXVINKLZNRB-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP O=C(Nc1cnccc1-n1cccn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520315624 504463761 /nfs/dbraw/zinc/46/37/61/504463761.db2.gz BVTYBUCRCKCDDR-SFHVURJKSA-N 2 1 361.449 3.118 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000545377820 504465841 /nfs/dbraw/zinc/46/58/41/504465841.db2.gz JNHVVHCKLBEFPO-QGZVFWFLSA-N 2 1 366.509 3.310 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(COCc3ccco3)c2)CC1 ZINC000531940719 504481436 /nfs/dbraw/zinc/48/14/36/504481436.db2.gz PKLGCVKVNZEIHC-UHFFFAOYSA-N 2 1 358.482 3.197 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000531944281 504482609 /nfs/dbraw/zinc/48/26/09/504482609.db2.gz WBGRLVZPKLEXFG-HKUYNNGSSA-N 2 1 358.530 3.071 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000520379711 504483605 /nfs/dbraw/zinc/48/36/05/504483605.db2.gz LJODTQOCJVYMDW-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000520379711 504483607 /nfs/dbraw/zinc/48/36/07/504483607.db2.gz LJODTQOCJVYMDW-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000520379711 504483615 /nfs/dbraw/zinc/48/36/15/504483615.db2.gz LJODTQOCJVYMDW-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529375 504527721 /nfs/dbraw/zinc/52/77/21/504527721.db2.gz ZVZCVZCRDNJOFS-WFXMLNOXSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529375 504527727 /nfs/dbraw/zinc/52/77/27/504527727.db2.gz ZVZCVZCRDNJOFS-WFXMLNOXSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000520577843 504532620 /nfs/dbraw/zinc/53/26/20/504532620.db2.gz DGIGSUVQOGEJMY-SJORKVTESA-N 2 1 360.546 3.376 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000548714974 504537703 /nfs/dbraw/zinc/53/77/03/504537703.db2.gz BLQVELDAMFFXQT-AZUAARDMSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714974 504537708 /nfs/dbraw/zinc/53/77/08/504537708.db2.gz BLQVELDAMFFXQT-AZUAARDMSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714974 504537711 /nfs/dbraw/zinc/53/77/11/504537711.db2.gz BLQVELDAMFFXQT-AZUAARDMSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000532195536 504569645 /nfs/dbraw/zinc/56/96/45/504569645.db2.gz RBZQCZJQVKMMIW-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532235189 504582893 /nfs/dbraw/zinc/58/28/93/504582893.db2.gz PZRRPRRELDYLAB-IIDMSEBBSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532235189 504582896 /nfs/dbraw/zinc/58/28/96/504582896.db2.gz PZRRPRRELDYLAB-IIDMSEBBSA-N 2 1 351.922 3.149 20 0 FGADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000539508145 504594441 /nfs/dbraw/zinc/59/44/41/504594441.db2.gz SMVXQBSYKBQLHT-MOPGFXCFSA-N 2 1 352.563 3.451 20 0 FGADMP CN(CCC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542784494 504609256 /nfs/dbraw/zinc/60/92/56/504609256.db2.gz MBHCIURDEVXEOA-OAQYLSRUSA-N 2 1 366.509 3.031 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(n3)CCC4)c2)CCO1 ZINC000520988702 504623803 /nfs/dbraw/zinc/62/38/03/504623803.db2.gz ONKCCJVDDNIAPB-QGZVFWFLSA-N 2 1 351.494 3.081 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(n3)CCC4)c2)CCO1 ZINC000520988702 504623809 /nfs/dbraw/zinc/62/38/09/504623809.db2.gz ONKCCJVDDNIAPB-QGZVFWFLSA-N 2 1 351.494 3.081 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000542846672 504632339 /nfs/dbraw/zinc/63/23/39/504632339.db2.gz NRQBWLCJWKHKGP-KRWDZBQOSA-N 2 1 367.493 3.328 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000521054261 504638475 /nfs/dbraw/zinc/63/84/75/504638475.db2.gz QXSXPDSVYUDVRJ-MDZRGWNJSA-N 2 1 365.949 3.427 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137515 504699184 /nfs/dbraw/zinc/69/91/84/504699184.db2.gz UOXGJSFIGGKZRQ-OALUTQOASA-N 2 1 354.922 3.460 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000539821255 504703148 /nfs/dbraw/zinc/70/31/48/504703148.db2.gz ZNDNMUNVPWHXRO-IBGZPJMESA-N 2 1 370.566 3.410 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000539821255 504703155 /nfs/dbraw/zinc/70/31/55/504703155.db2.gz ZNDNMUNVPWHXRO-IBGZPJMESA-N 2 1 370.566 3.410 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822802 504704025 /nfs/dbraw/zinc/70/40/25/504704025.db2.gz MWQYSVMZBDQOFT-AUSIDOKSSA-N 2 1 364.537 3.206 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000539828162 504706519 /nfs/dbraw/zinc/70/65/19/504706519.db2.gz FESUFLZBFQDOQV-OAQYLSRUSA-N 2 1 371.569 3.479 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000539828162 504706521 /nfs/dbraw/zinc/70/65/21/504706521.db2.gz FESUFLZBFQDOQV-OAQYLSRUSA-N 2 1 371.569 3.479 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000539828162 504706523 /nfs/dbraw/zinc/70/65/23/504706523.db2.gz FESUFLZBFQDOQV-OAQYLSRUSA-N 2 1 371.569 3.479 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1)CC(C)C ZINC000546125833 504719347 /nfs/dbraw/zinc/71/93/47/504719347.db2.gz NKEZRDYECLVYES-UHFFFAOYSA-N 2 1 360.546 3.368 20 0 FGADMP Cn1cc[nH+]c1[C@@H]1CCN(Cc2ncc(Cl)cc2Br)C1 ZINC000529566675 504730749 /nfs/dbraw/zinc/73/07/49/504730749.db2.gz FQFCJEKOEUFFOM-SNVBAGLBSA-N 2 1 355.667 3.221 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1Cl ZINC000521422554 504732629 /nfs/dbraw/zinc/73/26/29/504732629.db2.gz OZZTYKLUQJGRSG-WMLDXEAASA-N 2 1 364.946 3.436 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899337 504734898 /nfs/dbraw/zinc/73/48/98/504734898.db2.gz DRFQOPILYOGUIM-FPOVZHCZSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000521605352 504763688 /nfs/dbraw/zinc/76/36/88/504763688.db2.gz LJIKAKSQVCAGHE-MSOLQXFVSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000559091516 504779666 /nfs/dbraw/zinc/77/96/66/504779666.db2.gz QBHSZUVVDXENNS-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091516 504779670 /nfs/dbraw/zinc/77/96/70/504779670.db2.gz QBHSZUVVDXENNS-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091516 504779674 /nfs/dbraw/zinc/77/96/74/504779674.db2.gz QBHSZUVVDXENNS-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565158078 504811255 /nfs/dbraw/zinc/81/12/55/504811255.db2.gz QMWLDQLAIYPHPS-WMZOPIPTSA-N 2 1 353.510 3.281 20 0 FGADMP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565158078 504811258 /nfs/dbraw/zinc/81/12/58/504811258.db2.gz QMWLDQLAIYPHPS-WMZOPIPTSA-N 2 1 353.510 3.281 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(O)c3C)CC2)CC1 ZINC000565185328 504821333 /nfs/dbraw/zinc/82/13/33/504821333.db2.gz IADDLSXRWNNUFX-UHFFFAOYSA-N 2 1 359.514 3.144 20 0 FGADMP COc1cc([C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccn1 ZINC000565218259 504827761 /nfs/dbraw/zinc/82/77/61/504827761.db2.gz MLSLQLPTWQQMIU-HNNXBMFYSA-N 2 1 358.486 3.258 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356103 504864460 /nfs/dbraw/zinc/86/44/60/504864460.db2.gz TYOJBJWJYZLIDO-IRLDBZIGSA-N 2 1 358.526 3.408 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000549646677 504867293 /nfs/dbraw/zinc/86/72/93/504867293.db2.gz IKVYHMFMLKXURH-QUCCMNQESA-N 2 1 369.553 3.278 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H]1c1ccccc1 ZINC000559737448 504919035 /nfs/dbraw/zinc/91/90/35/504919035.db2.gz WUCVHCJNVLNJLU-UXHICEINSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H]1c1ccccc1 ZINC000559737448 504919040 /nfs/dbraw/zinc/91/90/40/504919040.db2.gz WUCVHCJNVLNJLU-UXHICEINSA-N 2 1 367.493 3.309 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559767054 504924749 /nfs/dbraw/zinc/92/47/49/504924749.db2.gz NIPVZZPUUVZRIX-QUCCMNQESA-N 2 1 350.934 3.488 20 0 FGADMP O=C(Nc1cnc2n1CCCC2)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000562747756 504932013 /nfs/dbraw/zinc/93/20/13/504932013.db2.gz HMTBKOGPDVUSCS-INIZCTEOSA-N 2 1 374.435 3.315 20 0 FGADMP O=C(Nc1cnc2n1CCCC2)[C@@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000562747756 504932017 /nfs/dbraw/zinc/93/20/17/504932017.db2.gz HMTBKOGPDVUSCS-INIZCTEOSA-N 2 1 374.435 3.315 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599113 504933587 /nfs/dbraw/zinc/93/35/87/504933587.db2.gz KOHPGCZEHJGYKZ-NQIIRXRSSA-N 2 1 365.521 3.484 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599113 504933590 /nfs/dbraw/zinc/93/35/90/504933590.db2.gz KOHPGCZEHJGYKZ-NQIIRXRSSA-N 2 1 365.521 3.484 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513796 504936777 /nfs/dbraw/zinc/93/67/77/504936777.db2.gz OIJGXCMVNRZBRE-FXAWDEMLSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513796 504936780 /nfs/dbraw/zinc/93/67/80/504936780.db2.gz OIJGXCMVNRZBRE-FXAWDEMLSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513796 504936782 /nfs/dbraw/zinc/93/67/82/504936782.db2.gz OIJGXCMVNRZBRE-FXAWDEMLSA-N 2 1 372.557 3.257 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000549928612 504936882 /nfs/dbraw/zinc/93/68/82/504936882.db2.gz VQEXTNQUXPZQDT-ZCNNSNEGSA-N 2 1 350.547 3.466 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@H](C)O1 ZINC000549928612 504936885 /nfs/dbraw/zinc/93/68/85/504936885.db2.gz VQEXTNQUXPZQDT-ZCNNSNEGSA-N 2 1 350.547 3.466 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562818922 504956196 /nfs/dbraw/zinc/95/61/96/504956196.db2.gz TYRPIBSVNGOISH-TYPHKJRUSA-N 2 1 372.557 3.200 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556864178 504999600 /nfs/dbraw/zinc/99/96/00/504999600.db2.gz CNUGWFUTFCUDIA-AKIFATBCSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000562956411 505000206 /nfs/dbraw/zinc/00/02/06/505000206.db2.gz SEEXWSHBLHMXHN-OALUTQOASA-N 2 1 352.544 3.058 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3cccnc3)C3(C2)CCOCC3)cc1 ZINC000550262976 505005371 /nfs/dbraw/zinc/00/53/71/505005371.db2.gz QBQASDMCDKYHBH-NRFANRHFSA-N 2 1 351.494 3.100 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781836 505007606 /nfs/dbraw/zinc/00/76/06/505007606.db2.gz GLRUXNINTZMFDW-JBYIUTFZSA-N 2 1 369.553 3.473 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C[C@@H](c2ccccc2)C1 ZINC000553780960 505008273 /nfs/dbraw/zinc/00/82/73/505008273.db2.gz DEOCVHBCQVMAAU-VMXMFDLUSA-N 2 1 357.542 3.136 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000562989055 505011941 /nfs/dbraw/zinc/01/19/41/505011941.db2.gz DRBAWSWVNQZHGH-MOPGFXCFSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000562989055 505011945 /nfs/dbraw/zinc/01/19/45/505011945.db2.gz DRBAWSWVNQZHGH-MOPGFXCFSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000562989057 505012218 /nfs/dbraw/zinc/01/22/18/505012218.db2.gz DRBAWSWVNQZHGH-RBUKOAKNSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000562989057 505012223 /nfs/dbraw/zinc/01/22/23/505012223.db2.gz DRBAWSWVNQZHGH-RBUKOAKNSA-N 2 1 374.550 3.298 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939073 505032877 /nfs/dbraw/zinc/03/28/77/505032877.db2.gz JHTZTFTZKBKRBG-IXDOHACOSA-N 2 1 362.493 3.047 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000556967597 505033429 /nfs/dbraw/zinc/03/34/29/505033429.db2.gz MTQWMHVEBWOXGJ-GOTSBHOMSA-N 2 1 369.553 3.362 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000556967597 505033431 /nfs/dbraw/zinc/03/34/31/505033431.db2.gz MTQWMHVEBWOXGJ-GOTSBHOMSA-N 2 1 369.553 3.362 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553892953 505034833 /nfs/dbraw/zinc/03/48/33/505034833.db2.gz IHZYQKXVQPSLHX-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553892953 505034835 /nfs/dbraw/zinc/03/48/35/505034835.db2.gz IHZYQKXVQPSLHX-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000553892953 505034839 /nfs/dbraw/zinc/03/48/39/505034839.db2.gz IHZYQKXVQPSLHX-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP C[C@H]1[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000557028824 505047688 /nfs/dbraw/zinc/04/76/88/505047688.db2.gz SHKZXJUPSNZRTK-JXFKEZNVSA-N 2 1 364.493 3.117 20 0 FGADMP O=C(CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NC1CCCCC1 ZINC000563121025 505052622 /nfs/dbraw/zinc/05/26/22/505052622.db2.gz XOUSDQSQTKOVLW-FQEVSTJZSA-N 2 1 355.526 3.222 20 0 FGADMP Clc1c[nH+]ccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557083970 505061634 /nfs/dbraw/zinc/06/16/34/505061634.db2.gz KXAQRKRGJOHBHD-GOSISDBHSA-N 2 1 356.901 3.132 20 0 FGADMP Clc1c[nH+]ccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557083970 505061636 /nfs/dbraw/zinc/06/16/36/505061636.db2.gz KXAQRKRGJOHBHD-GOSISDBHSA-N 2 1 356.901 3.132 20 0 FGADMP COC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000554050848 505076447 /nfs/dbraw/zinc/07/64/47/505076447.db2.gz VUHFSFATBDERJL-DHIUTWEWSA-N 2 1 367.537 3.343 20 0 FGADMP Clc1ccc2c(c1)[C@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CCCC2 ZINC000566103896 505082130 /nfs/dbraw/zinc/08/21/30/505082130.db2.gz POOCTCKQYOZPGG-QGZVFWFLSA-N 2 1 359.905 3.482 20 0 FGADMP CN(CCC[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1)CC[NH+](C)C ZINC000563291969 505098441 /nfs/dbraw/zinc/09/84/41/505098441.db2.gz BEEXRQXVDKVCIB-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CN(CCC[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1)CC[NH+](C)C ZINC000563291969 505098445 /nfs/dbraw/zinc/09/84/45/505098445.db2.gz BEEXRQXVDKVCIB-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccs1 ZINC000566185391 505106923 /nfs/dbraw/zinc/10/69/23/505106923.db2.gz BOLZCCGXIVGVRC-LVCYWYKZSA-N 2 1 371.550 3.207 20 0 FGADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507074 505108102 /nfs/dbraw/zinc/10/81/02/505108102.db2.gz WOBUSKNWDUXTEJ-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507074 505108105 /nfs/dbraw/zinc/10/81/05/505108105.db2.gz WOBUSKNWDUXTEJ-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000560520267 505112278 /nfs/dbraw/zinc/11/22/78/505112278.db2.gz DONKDFVATSUDSH-DNVCBOLYSA-N 2 1 359.514 3.017 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000560521586 505112820 /nfs/dbraw/zinc/11/28/20/505112820.db2.gz VZKCIKQXCAQOAT-NPRSCZTNSA-N 2 1 369.553 3.311 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1F ZINC000550885622 505119390 /nfs/dbraw/zinc/11/93/90/505119390.db2.gz ITSHDJWJYOPJSF-UWJYYQICSA-N 2 1 356.489 3.250 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000560548091 505122775 /nfs/dbraw/zinc/12/27/75/505122775.db2.gz KTTQGUKYYBRDBR-IKGGRYGDSA-N 2 1 352.320 3.323 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000563375603 505126107 /nfs/dbraw/zinc/12/61/07/505126107.db2.gz DRJWEKUXZDOGFR-JXFKEZNVSA-N 2 1 373.541 3.216 20 0 FGADMP C[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C[NH+](C)C ZINC000560707768 505166310 /nfs/dbraw/zinc/16/63/10/505166310.db2.gz WEWRBIDXGBAJSV-IBGZPJMESA-N 2 1 353.510 3.003 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417673 505169073 /nfs/dbraw/zinc/16/90/73/505169073.db2.gz SSBQMBWARHZOEM-GMAHTHKFSA-N 2 1 371.569 3.336 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417673 505169074 /nfs/dbraw/zinc/16/90/74/505169074.db2.gz SSBQMBWARHZOEM-GMAHTHKFSA-N 2 1 371.569 3.336 20 0 FGADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441292 505177940 /nfs/dbraw/zinc/17/79/40/505177940.db2.gz DEACFGKVXNZFOJ-QAPCUYQASA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441292 505177941 /nfs/dbraw/zinc/17/79/41/505177941.db2.gz DEACFGKVXNZFOJ-QAPCUYQASA-N 2 1 351.922 3.037 20 0 FGADMP Cc1cc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc(N2CCCC2)n1 ZINC000557612542 505181926 /nfs/dbraw/zinc/18/19/26/505181926.db2.gz AVYDBKYMEPPIBY-UHFFFAOYSA-N 2 1 358.530 3.261 20 0 FGADMP Cc1cc(CNC(=O)CC[N@@H+](C)C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000557612542 505181931 /nfs/dbraw/zinc/18/19/31/505181931.db2.gz AVYDBKYMEPPIBY-UHFFFAOYSA-N 2 1 358.530 3.261 20 0 FGADMP Cc1cc(CNC(=O)CC[N@H+](C)C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000557612542 505181935 /nfs/dbraw/zinc/18/19/35/505181935.db2.gz AVYDBKYMEPPIBY-UHFFFAOYSA-N 2 1 358.530 3.261 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000551265254 505188290 /nfs/dbraw/zinc/18/82/90/505188290.db2.gz JYAVHJGYBPKVBG-YRNRMSPPSA-N 2 1 359.493 3.381 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000551265254 505188292 /nfs/dbraw/zinc/18/82/92/505188292.db2.gz JYAVHJGYBPKVBG-YRNRMSPPSA-N 2 1 359.493 3.381 20 0 FGADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557634599 505188702 /nfs/dbraw/zinc/18/87/02/505188702.db2.gz LGSKFRRGPDTOHT-LJQANCHMSA-N 2 1 371.550 3.160 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000563618134 505193570 /nfs/dbraw/zinc/19/35/70/505193570.db2.gz NUHVYGDGHTWLFJ-IRFCIJBXSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000563618134 505193575 /nfs/dbraw/zinc/19/35/75/505193575.db2.gz NUHVYGDGHTWLFJ-IRFCIJBXSA-N 2 1 374.550 3.298 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664665 505204788 /nfs/dbraw/zinc/20/47/88/505204788.db2.gz AEHLSBKNZBTNSM-DLBZAZTESA-N 2 1 362.493 3.049 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000563701286 505215660 /nfs/dbraw/zinc/21/56/60/505215660.db2.gz QVSPHEITDBYFQW-HLNWXESRSA-N 2 1 355.869 3.346 20 0 FGADMP CCCN(C(=O)NCC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563799036 505242100 /nfs/dbraw/zinc/24/21/00/505242100.db2.gz JKPPKIPKLCOFKL-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082141 505246093 /nfs/dbraw/zinc/24/60/93/505246093.db2.gz JGESVIVCBZLCCS-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082141 505246097 /nfs/dbraw/zinc/24/60/97/505246097.db2.gz JGESVIVCBZLCCS-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082141 505246101 /nfs/dbraw/zinc/24/61/01/505246101.db2.gz JGESVIVCBZLCCS-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(C3CCCC3)cc2)CC1 ZINC000554737020 505252266 /nfs/dbraw/zinc/25/22/66/505252266.db2.gz KNSCSSVERGVCDE-UHFFFAOYSA-N 2 1 358.526 3.003 20 0 FGADMP Cc1ccc(C[C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000563943191 505283407 /nfs/dbraw/zinc/28/34/07/505283407.db2.gz ASPPGMLSTKOVSS-NRFANRHFSA-N 2 1 371.569 3.239 20 0 FGADMP C[N@@H+]1CC[C@@H](Nc2cc(N3CCCC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561238367 505289077 /nfs/dbraw/zinc/28/90/77/505289077.db2.gz PWGDTHVUZBLFDN-APWZRJJASA-N 2 1 359.424 3.212 20 0 FGADMP C[N@H+]1CC[C@@H](Nc2cc(N3CCCC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561238367 505289083 /nfs/dbraw/zinc/28/90/83/505289083.db2.gz PWGDTHVUZBLFDN-APWZRJJASA-N 2 1 359.424 3.212 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116807 505311641 /nfs/dbraw/zinc/31/16/41/505311641.db2.gz LFWAUPPLEWCTNK-RIFZZMRRSA-N 2 1 350.934 3.486 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000566937248 505316135 /nfs/dbraw/zinc/31/61/35/505316135.db2.gz SAXPTKFUKMHCBR-QFBILLFUSA-N 2 1 363.571 3.392 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000561591150 505385388 /nfs/dbraw/zinc/38/53/88/505385388.db2.gz PWFDUTMMUKRAFM-GHTZIAJQSA-N 2 1 372.557 3.261 20 0 FGADMP C[C@H]1CCC[C@@](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447242 505392856 /nfs/dbraw/zinc/39/28/56/505392856.db2.gz JLMVCWWMMOUGPK-GHTZIAJQSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206537 505394295 /nfs/dbraw/zinc/39/42/95/505394295.db2.gz OHFQOXMKFDYCAN-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567206537 505394298 /nfs/dbraw/zinc/39/42/98/505394298.db2.gz OHFQOXMKFDYCAN-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567206537 505394303 /nfs/dbraw/zinc/39/43/03/505394303.db2.gz OHFQOXMKFDYCAN-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H]1CN(C(=O)NCC2CC[NH+](CC)CC2)CC[N@H+]1Cc1ccccc1 ZINC000564403918 505409641 /nfs/dbraw/zinc/40/96/41/505409641.db2.gz ULUSSRPGPLLSHG-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](C3CCC(C(C)C)CC3)CC1)C2 ZINC000558541152 505419179 /nfs/dbraw/zinc/41/91/79/505419179.db2.gz GXVOCAZJYFYWGR-GPJFCIFZSA-N 2 1 372.557 3.113 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760217 505429054 /nfs/dbraw/zinc/42/90/54/505429054.db2.gz APUODCFWEVSKLP-FRQCXROJSA-N 2 1 369.509 3.297 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564644683 505481379 /nfs/dbraw/zinc/48/13/79/505481379.db2.gz VEOQTYCTHHNPLL-PCCBWWKXSA-N 2 1 372.557 3.105 20 0 FGADMP CCC[N@@H+](Cc1cc(C(C)=O)no1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000564734686 505506639 /nfs/dbraw/zinc/50/66/39/505506639.db2.gz GUCALVBOOSOKRN-UHFFFAOYSA-N 2 1 371.485 3.165 20 0 FGADMP CCCN(Cc1cc(C(C)=O)no1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000564734686 505506641 /nfs/dbraw/zinc/50/66/41/505506641.db2.gz GUCALVBOOSOKRN-UHFFFAOYSA-N 2 1 371.485 3.165 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855218 505540497 /nfs/dbraw/zinc/54/04/97/505540497.db2.gz DPSROQBLNNOAHG-UKRRQHHQSA-N 2 1 361.313 3.055 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](n3cc(C)cn3)C2)CC1 ZINC000562213496 505541889 /nfs/dbraw/zinc/54/18/89/505541889.db2.gz KROPEIJHZBNADW-NRFANRHFSA-N 2 1 367.541 3.171 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000567731120 505551716 /nfs/dbraw/zinc/55/17/16/505551716.db2.gz CRZQUJBKABELLU-AQNXPRMDSA-N 2 1 373.541 3.113 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000567731120 505551720 /nfs/dbraw/zinc/55/17/20/505551720.db2.gz CRZQUJBKABELLU-AQNXPRMDSA-N 2 1 373.541 3.113 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000599403799 506443135 /nfs/dbraw/zinc/44/31/35/506443135.db2.gz CMTYGPVZFLXNDD-SFHVURJKSA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165572 506448082 /nfs/dbraw/zinc/44/80/82/506448082.db2.gz RPSVLQUXZLDYIK-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165572 506448089 /nfs/dbraw/zinc/44/80/89/506448089.db2.gz RPSVLQUXZLDYIK-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165572 506448097 /nfs/dbraw/zinc/44/80/97/506448097.db2.gz RPSVLQUXZLDYIK-FCHUYYIVSA-N 2 1 365.521 3.412 20 0 FGADMP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894731 506477199 /nfs/dbraw/zinc/47/71/99/506477199.db2.gz LZEUQJRQEYDIIA-NHCUHLMSSA-N 2 1 366.509 3.156 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000603307834 506482070 /nfs/dbraw/zinc/48/20/70/506482070.db2.gz XMFOIRASVAGERK-ZWKOTPCHSA-N 2 1 361.530 3.010 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000589213236 506487524 /nfs/dbraw/zinc/48/75/24/506487524.db2.gz QHJRFBDJKPOTND-UYAOXDASSA-N 2 1 372.557 3.338 20 0 FGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000596650976 506511539 /nfs/dbraw/zinc/51/15/39/506511539.db2.gz MXGZZVHKVQYEJC-NWDGAFQWSA-N 2 1 364.658 3.304 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000608375817 506533070 /nfs/dbraw/zinc/53/30/70/506533070.db2.gz NDBLQXUVQHUUPM-QGZVFWFLSA-N 2 1 361.530 3.058 20 0 FGADMP CCC(CC)(CNC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603593417 506569478 /nfs/dbraw/zinc/56/94/78/506569478.db2.gz GYSMHZCPCJAWJU-MJGOQNOKSA-N 2 1 360.546 3.289 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000589994527 506700364 /nfs/dbraw/zinc/70/03/64/506700364.db2.gz JEUJSQPDCMWNJI-QFIPXVFZSA-N 2 1 365.521 3.244 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000589994527 506700370 /nfs/dbraw/zinc/70/03/70/506700370.db2.gz JEUJSQPDCMWNJI-QFIPXVFZSA-N 2 1 365.521 3.244 20 0 FGADMP CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597031187 506739903 /nfs/dbraw/zinc/73/99/03/506739903.db2.gz WHCNNISLVQTYSS-MRXNPFEDSA-N 2 1 356.470 3.211 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193597 506744572 /nfs/dbraw/zinc/74/45/72/506744572.db2.gz BEXPVYRRFXAPDN-CTNGQTDRSA-N 2 1 372.557 3.245 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000583629474 506885707 /nfs/dbraw/zinc/88/57/07/506885707.db2.gz JUODEAOGRGUXGL-BLLLJJGKSA-N 2 1 368.319 3.357 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000590818891 506980368 /nfs/dbraw/zinc/98/03/68/506980368.db2.gz GNKLQJPCYZLRIP-UHFFFAOYSA-N 2 1 365.949 3.399 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]3CCCC[NH+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967544 507009665 /nfs/dbraw/zinc/00/96/65/507009665.db2.gz DGAHAPCJBCGDDO-LAUBAEHRSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967544 507009673 /nfs/dbraw/zinc/00/96/73/507009673.db2.gz DGAHAPCJBCGDDO-LAUBAEHRSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967544 507009682 /nfs/dbraw/zinc/00/96/82/507009682.db2.gz DGAHAPCJBCGDDO-LAUBAEHRSA-N 2 1 355.526 3.370 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2o1 ZINC000605125309 507084962 /nfs/dbraw/zinc/08/49/62/507084962.db2.gz NBFFYXZWHPIHKV-QGZVFWFLSA-N 2 1 361.461 3.060 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000583982985 507086635 /nfs/dbraw/zinc/08/66/35/507086635.db2.gz SXTUEWZDYYBMPU-FQEVSTJZSA-N 2 1 350.466 3.076 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000600888457 507162730 /nfs/dbraw/zinc/16/27/30/507162730.db2.gz WNXZDNKWPYYPHI-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000600979071 507214173 /nfs/dbraw/zinc/21/41/73/507214173.db2.gz IUWMDNQSDUIVIO-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CC[N@@H+](C)C3)c2c1C ZINC000591371451 507222107 /nfs/dbraw/zinc/22/21/07/507222107.db2.gz DRWGKMPMGGOOLW-HNNXBMFYSA-N 2 1 359.543 3.268 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CC[N@H+](C)C3)c2c1C ZINC000591371451 507222113 /nfs/dbraw/zinc/22/21/13/507222113.db2.gz DRWGKMPMGGOOLW-HNNXBMFYSA-N 2 1 359.543 3.268 20 0 FGADMP C[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000605506336 507222823 /nfs/dbraw/zinc/22/28/23/507222823.db2.gz DGXANIOLPCZYBA-GOSISDBHSA-N 2 1 351.494 3.028 20 0 FGADMP C[C@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000605506336 507222830 /nfs/dbraw/zinc/22/28/30/507222830.db2.gz DGXANIOLPCZYBA-GOSISDBHSA-N 2 1 351.494 3.028 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000591453144 507255799 /nfs/dbraw/zinc/25/57/99/507255799.db2.gz UZAQSLJOCHTGCI-GOSISDBHSA-N 2 1 361.530 3.010 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591453144 507255804 /nfs/dbraw/zinc/25/58/04/507255804.db2.gz UZAQSLJOCHTGCI-GOSISDBHSA-N 2 1 361.530 3.010 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591453144 507255809 /nfs/dbraw/zinc/25/58/09/507255809.db2.gz UZAQSLJOCHTGCI-GOSISDBHSA-N 2 1 361.530 3.010 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+](C)C1CC1 ZINC000591554639 507289452 /nfs/dbraw/zinc/28/94/52/507289452.db2.gz CEWHMVDOZJBDNI-QZTJIDSGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000591554639 507289458 /nfs/dbraw/zinc/28/94/58/507289458.db2.gz CEWHMVDOZJBDNI-QZTJIDSGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000591554639 507289462 /nfs/dbraw/zinc/28/94/62/507289462.db2.gz CEWHMVDOZJBDNI-QZTJIDSGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000605959897 507312201 /nfs/dbraw/zinc/31/22/01/507312201.db2.gz BIVSGRWWPUUECI-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000605959897 507312216 /nfs/dbraw/zinc/31/22/16/507312216.db2.gz BIVSGRWWPUUECI-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000605959897 507312225 /nfs/dbraw/zinc/31/22/25/507312225.db2.gz BIVSGRWWPUUECI-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000605959897 507312230 /nfs/dbraw/zinc/31/22/30/507312230.db2.gz BIVSGRWWPUUECI-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000605963994 507313164 /nfs/dbraw/zinc/31/31/64/507313164.db2.gz VVMCJQWDZSREDM-UXHICEINSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000605963994 507313172 /nfs/dbraw/zinc/31/31/72/507313172.db2.gz VVMCJQWDZSREDM-UXHICEINSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000591618240 507314363 /nfs/dbraw/zinc/31/43/63/507314363.db2.gz LQCBJIRKGDZKRC-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000591618240 507314368 /nfs/dbraw/zinc/31/43/68/507314368.db2.gz LQCBJIRKGDZKRC-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000591618240 507314374 /nfs/dbraw/zinc/31/43/74/507314374.db2.gz LQCBJIRKGDZKRC-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000594919798 507315910 /nfs/dbraw/zinc/31/59/10/507315910.db2.gz BEZRSLVONZBZOX-CWFSZBLJSA-N 2 1 356.466 3.199 20 0 FGADMP CCCCC/C(=C\c1ccccc1)C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000591700775 507334601 /nfs/dbraw/zinc/33/46/01/507334601.db2.gz JXHJFDKZQIQTQE-DYTRJAOYSA-N 2 1 357.542 3.404 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595025365 507358864 /nfs/dbraw/zinc/35/88/64/507358864.db2.gz GUYRBDWKLCDNQU-MRXNPFEDSA-N 2 1 368.262 3.130 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377303 507382277 /nfs/dbraw/zinc/38/22/77/507382277.db2.gz RFVATLJAERYNIF-QKLQHJQFSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377303 507382279 /nfs/dbraw/zinc/38/22/79/507382279.db2.gz RFVATLJAERYNIF-QKLQHJQFSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377303 507382286 /nfs/dbraw/zinc/38/22/86/507382286.db2.gz RFVATLJAERYNIF-QKLQHJQFSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377303 507382289 /nfs/dbraw/zinc/38/22/89/507382289.db2.gz RFVATLJAERYNIF-QKLQHJQFSA-N 2 1 359.514 3.109 20 0 FGADMP CCC(CC)(C[NH2+]C[C@@H]1CNc2ccnn2C1)[NH2+][C@H](C)c1ccccc1 ZINC000606914717 507555870 /nfs/dbraw/zinc/55/58/70/507555870.db2.gz WBGFQJBSBKVMIB-QZTJIDSGSA-N 2 1 355.530 3.424 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433646 507655427 /nfs/dbraw/zinc/65/54/27/507655427.db2.gz MZGAJXBIWFOHDG-HOTGVXAUSA-N 2 1 350.890 3.338 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481437 507674536 /nfs/dbraw/zinc/67/45/36/507674536.db2.gz JQFRMGHZJMLXTM-ICSRJNTNSA-N 2 1 364.578 3.203 20 0 FGADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611532292 507725239 /nfs/dbraw/zinc/72/52/39/507725239.db2.gz UNIGDSGWZHBDDK-GOSISDBHSA-N 2 1 362.514 3.038 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669117733 568032218 /nfs/dbraw/zinc/03/22/18/568032218.db2.gz AQTWNPGQESJZNX-YLJYHZDGSA-N 2 1 358.530 3.002 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000669146816 568153421 /nfs/dbraw/zinc/15/34/21/568153421.db2.gz BBFNGGWYWAYRLG-FQEVSTJZSA-N 2 1 368.525 3.110 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)Cc2ncc[nH]2)c1 ZINC000636927064 568201636 /nfs/dbraw/zinc/20/16/36/568201636.db2.gz JJGXIBSLOYHODQ-UHFFFAOYSA-N 2 1 357.502 3.373 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000643248490 568292570 /nfs/dbraw/zinc/29/25/70/568292570.db2.gz YCJDYHZDWMLLIJ-UHFFFAOYSA-N 2 1 372.557 3.085 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000643293906 568735396 /nfs/dbraw/zinc/73/53/96/568735396.db2.gz DVZLSWMFDYTQDP-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643293906 568735400 /nfs/dbraw/zinc/73/54/00/568735400.db2.gz DVZLSWMFDYTQDP-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643293906 568735403 /nfs/dbraw/zinc/73/54/03/568735403.db2.gz DVZLSWMFDYTQDP-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936011 608496845 /nfs/dbraw/zinc/49/68/45/608496845.db2.gz DMHRKGMDXZNHSU-DNVCBOLYSA-N 2 1 354.502 3.098 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824529332 609350188 /nfs/dbraw/zinc/35/01/88/609350188.db2.gz GEPGIOHGWCPFJU-IJEWVQPXSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824529332 609350190 /nfs/dbraw/zinc/35/01/90/609350190.db2.gz GEPGIOHGWCPFJU-IJEWVQPXSA-N 2 1 372.492 3.309 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000183903469 705909487 /nfs/dbraw/zinc/90/94/87/705909487.db2.gz WQSKVTIAQRTQKQ-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000186997699 712730443 /nfs/dbraw/zinc/73/04/43/712730443.db2.gz OOZDDFRGYOJXMA-CYBMUJFWSA-N 2 1 359.308 3.082 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)c1 ZINC000190785572 712822844 /nfs/dbraw/zinc/82/28/44/712822844.db2.gz NRFXGNQSRWEDOB-UHFFFAOYSA-N 2 1 352.837 3.415 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921338 713614079 /nfs/dbraw/zinc/61/40/79/713614079.db2.gz HBCSVIQYIQSOFI-KURKYZTESA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000248667097 713655790 /nfs/dbraw/zinc/65/57/90/713655790.db2.gz PGRDKAYGDWWBKW-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262117490 713719025 /nfs/dbraw/zinc/71/90/25/713719025.db2.gz XBJZVIAIILOECR-UHFFFAOYSA-N 2 1 352.404 3.168 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000386011710 713984149 /nfs/dbraw/zinc/98/41/49/713984149.db2.gz UXVJQDIRSMEWHU-IAGOWNOFSA-N 2 1 351.535 3.240 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860416 714074662 /nfs/dbraw/zinc/07/46/62/714074662.db2.gz ZXGDYQIXNJBTQO-CGXNFDGLSA-N 2 1 350.547 3.159 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000526969634 714416268 /nfs/dbraw/zinc/41/62/68/714416268.db2.gz MHUBMAZUAXZWJG-UHFFFAOYSA-N 2 1 361.921 3.473 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H]1C ZINC000530901868 714425032 /nfs/dbraw/zinc/42/50/32/714425032.db2.gz DZWJKAJWTVTISL-AYOQOUSVSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)C[C@H]1C ZINC000530901868 714425033 /nfs/dbraw/zinc/42/50/33/714425033.db2.gz DZWJKAJWTVTISL-AYOQOUSVSA-N 2 1 354.922 3.022 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1C1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000615459287 714529690 /nfs/dbraw/zinc/52/96/90/714529690.db2.gz JAUMFMPPJQKIJM-LJQANCHMSA-N 2 1 361.555 3.047 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000642630906 717985795 /nfs/dbraw/zinc/98/57/95/717985795.db2.gz QPRSQXCHIPQCLG-CWRNSKLLSA-N 2 1 365.905 3.282 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995442 714619181 /nfs/dbraw/zinc/61/91/81/714619181.db2.gz ROFCSOKHGXOAIT-PBHICJAKSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995442 714619182 /nfs/dbraw/zinc/61/91/82/714619182.db2.gz ROFCSOKHGXOAIT-PBHICJAKSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccccc1Cl ZINC000617506021 714663527 /nfs/dbraw/zinc/66/35/27/714663527.db2.gz YAONUSFHFSKTES-HNNXBMFYSA-N 2 1 353.938 3.006 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccccc1Cl ZINC000617506021 714663528 /nfs/dbraw/zinc/66/35/28/714663528.db2.gz YAONUSFHFSKTES-HNNXBMFYSA-N 2 1 353.938 3.006 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000643482133 718036289 /nfs/dbraw/zinc/03/62/89/718036289.db2.gz OCYGAWJMYAWSJR-CFVMTHIKSA-N 2 1 357.479 3.398 20 0 FGADMP Brc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@@H]2CCCO2)cc1 ZINC000643521274 718037656 /nfs/dbraw/zinc/03/76/56/718037656.db2.gz HWUHSLPEYGIMIP-IKGGRYGDSA-N 2 1 353.304 3.401 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377045 715320814 /nfs/dbraw/zinc/32/08/14/715320814.db2.gz LKNVSADIFAOSPT-QWHCGFSZSA-N 2 1 361.313 3.196 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377043 715321120 /nfs/dbraw/zinc/32/11/20/715321120.db2.gz LKNVSADIFAOSPT-CHWSQXEVSA-N 2 1 361.313 3.196 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420824 715332728 /nfs/dbraw/zinc/33/27/28/715332728.db2.gz PLOLFAQKLYQSOZ-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454676 715339962 /nfs/dbraw/zinc/33/99/62/715339962.db2.gz NQSHXOCMDBTSSN-ZBFHGGJFSA-N 2 1 358.448 3.319 20 0 FGADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000623978477 715445397 /nfs/dbraw/zinc/44/53/97/715445397.db2.gz VDFGBZQELUZVMT-OAHLLOKOSA-N 2 1 368.363 3.434 20 0 FGADMP C[NH2+]CCOCC[N@H+](C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629571992 716310811 /nfs/dbraw/zinc/31/08/11/716310811.db2.gz LKTWIEVPXQIAKA-UHFFFAOYSA-N 2 1 358.269 3.316 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc(-c2cc(Cl)cc(Cl)c2)n1 ZINC000629571992 716310816 /nfs/dbraw/zinc/31/08/16/716310816.db2.gz LKTWIEVPXQIAKA-UHFFFAOYSA-N 2 1 358.269 3.316 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000629601009 716317321 /nfs/dbraw/zinc/31/73/21/716317321.db2.gz DDKXFENRZBIJQN-NSGGIEJNSA-N 2 1 356.897 3.061 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3c(cccc3Cl)[C@@H]12 ZINC000629601009 716317332 /nfs/dbraw/zinc/31/73/32/716317332.db2.gz DDKXFENRZBIJQN-NSGGIEJNSA-N 2 1 356.897 3.061 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629653716 716329391 /nfs/dbraw/zinc/32/93/91/716329391.db2.gz FSBBNJJESLKJNK-GXTWGEPZSA-N 2 1 352.347 3.290 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629653716 716329396 /nfs/dbraw/zinc/32/93/96/716329396.db2.gz FSBBNJJESLKJNK-GXTWGEPZSA-N 2 1 352.347 3.290 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629654860 716330064 /nfs/dbraw/zinc/33/00/64/716330064.db2.gz IXWDHXPKIZKCJO-AEGPPILISA-N 2 1 362.411 3.472 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631042421 716553626 /nfs/dbraw/zinc/55/36/26/716553626.db2.gz QWOZWYPKYGTTOR-UHFFFAOYSA-N 2 1 357.464 3.299 20 0 FGADMP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826461 716686788 /nfs/dbraw/zinc/68/67/88/716686788.db2.gz NYOMSHCKWNPACD-STQMWFEESA-N 2 1 356.283 3.195 20 0 FGADMP Fc1cc(Br)cnc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826461 716686791 /nfs/dbraw/zinc/68/67/91/716686791.db2.gz NYOMSHCKWNPACD-STQMWFEESA-N 2 1 356.283 3.195 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634953191 717134853 /nfs/dbraw/zinc/13/48/53/717134853.db2.gz UQDLLCVGEYCSNH-FXAWDEMLSA-N 2 1 364.555 3.118 20 0 FGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H](n1ccnc1)C(F)(F)F ZINC000635443342 717171052 /nfs/dbraw/zinc/17/10/52/717171052.db2.gz GXBKUJJQFUXIRH-OAHLLOKOSA-N 2 1 360.424 3.100 20 0 FGADMP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000638111161 717409688 /nfs/dbraw/zinc/40/96/88/717409688.db2.gz SAJZDNJAISKEKB-CQSZACIVSA-N 2 1 368.308 3.122 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(F)c3N)CC2)cs1 ZINC000638623323 717471190 /nfs/dbraw/zinc/47/11/90/717471190.db2.gz MJINTNDDYJBORX-UHFFFAOYSA-N 2 1 362.518 3.429 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188065 718191345 /nfs/dbraw/zinc/19/13/45/718191345.db2.gz IAOGPTLNHVUULK-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188065 718191348 /nfs/dbraw/zinc/19/13/48/718191348.db2.gz IAOGPTLNHVUULK-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188065 718191350 /nfs/dbraw/zinc/19/13/50/718191350.db2.gz IAOGPTLNHVUULK-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188065 718191353 /nfs/dbraw/zinc/19/13/53/718191353.db2.gz IAOGPTLNHVUULK-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCC1 ZINC000646497290 718289379 /nfs/dbraw/zinc/28/93/79/718289379.db2.gz XHKKGTIKOPCCGU-UHFFFAOYSA-N 2 1 370.324 3.346 20 0 FGADMP Oc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543705 718366565 /nfs/dbraw/zinc/36/65/65/718366565.db2.gz RFHQPAKKRPHWAQ-KBPBESRZSA-N 2 1 353.304 3.366 20 0 FGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545459 718366926 /nfs/dbraw/zinc/36/69/26/718366926.db2.gz OZLQOMUNMJKXLP-GDBMZVCRSA-N 2 1 367.331 3.240 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975738 718391027 /nfs/dbraw/zinc/39/10/27/718391027.db2.gz FJZLWSAHZILMGX-KGLIPLIRSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975738 718391030 /nfs/dbraw/zinc/39/10/30/718391030.db2.gz FJZLWSAHZILMGX-KGLIPLIRSA-N 2 1 360.889 3.200 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1Cc1noc(-c3c(F)cccc3Cl)n1)CC[NH2+]CC2 ZINC000647995434 718393216 /nfs/dbraw/zinc/39/32/16/718393216.db2.gz YDJZAWYTQCTKKC-GFCCVEGCSA-N 2 1 364.852 3.493 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1noc(-c3c(F)cccc3Cl)n1)CC[NH2+]CC2 ZINC000647995434 718393219 /nfs/dbraw/zinc/39/32/19/718393219.db2.gz YDJZAWYTQCTKKC-GFCCVEGCSA-N 2 1 364.852 3.493 20 0 FGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476279 718430429 /nfs/dbraw/zinc/43/04/29/718430429.db2.gz PBYVBXPFYMYPJQ-MSOLQXFVSA-N 2 1 363.889 3.339 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705823 718716980 /nfs/dbraw/zinc/71/69/80/718716980.db2.gz XIOZUIBIYSHPCV-VMGRFDJRSA-N 2 1 371.294 3.307 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706342 718717133 /nfs/dbraw/zinc/71/71/33/718717133.db2.gz IZFNDOKZXDROJL-JLJPHGGASA-N 2 1 368.905 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706374 718717165 /nfs/dbraw/zinc/71/71/65/718717165.db2.gz JMHHCIPJOLMINJ-SCRDCRAPSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707130 718717303 /nfs/dbraw/zinc/71/73/03/718717303.db2.gz YVCYYNYUYYRMHR-INMHGKMJSA-N 2 1 358.404 3.304 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000650707680 718717532 /nfs/dbraw/zinc/71/75/32/718717532.db2.gz KSUCRHQELMKLDU-BZPMIXESSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721809 718719979 /nfs/dbraw/zinc/71/99/79/718719979.db2.gz CCFOERJEJSPDMO-DJIMGWMZSA-N 2 1 358.404 3.446 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721930 718720206 /nfs/dbraw/zinc/72/02/06/718720206.db2.gz GDMBVROQELFYLC-ZTFGCOKTSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721930 718720208 /nfs/dbraw/zinc/72/02/08/718720208.db2.gz GDMBVROQELFYLC-ZTFGCOKTSA-N 2 1 358.511 3.066 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722591 718720777 /nfs/dbraw/zinc/72/07/77/718720777.db2.gz XMARWODZYYCWNU-UAGQMJEPSA-N 2 1 368.905 3.218 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723793 718721134 /nfs/dbraw/zinc/72/11/34/718721134.db2.gz UDLFVGMWTCTLRW-NXHRZFHOSA-N 2 1 354.441 3.191 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143237 718916530 /nfs/dbraw/zinc/91/65/30/718916530.db2.gz SRSMCZBIZFEJKX-RDJZCZTQSA-N 2 1 350.503 3.485 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349449 718935167 /nfs/dbraw/zinc/93/51/67/718935167.db2.gz OYGLSVIDZIOCFS-JCKWVBRZSA-N 2 1 356.869 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361767 718936754 /nfs/dbraw/zinc/93/67/54/718936754.db2.gz OVAOELYFLUCJNF-OLMNPRSZSA-N 2 1 365.905 3.029 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4[NH2+]C[C@H]43)c2c1C ZINC001164450406 719000113 /nfs/dbraw/zinc/00/01/13/719000113.db2.gz VQSFKBIFIFCBES-JKSUJKDBSA-N 2 1 371.554 3.235 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4[NH2+]C[C@H]43)c2c1C ZINC001164450405 719000273 /nfs/dbraw/zinc/00/02/73/719000273.db2.gz VQSFKBIFIFCBES-HZPDHXFCSA-N 2 1 371.554 3.235 20 0 FGADMP Clc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655700344 719327034 /nfs/dbraw/zinc/32/70/34/719327034.db2.gz KQFGBZRUUYZLGD-JXFKEZNVSA-N 2 1 363.933 3.009 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1cccc(Cl)c1 ZINC000655728712 719330621 /nfs/dbraw/zinc/33/06/21/719330621.db2.gz AIINYMXLRGNRAU-BEFAXECRSA-N 2 1 352.906 3.340 20 0 FGADMP Clc1ccc(COCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000655738618 719332644 /nfs/dbraw/zinc/33/26/44/719332644.db2.gz NEHYCECBAZZLGW-KRWDZBQOSA-N 2 1 373.324 3.353 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551351 719407731 /nfs/dbraw/zinc/40/77/31/719407731.db2.gz JPMIUHMDLYHVFJ-WBVHZDCISA-N 2 1 364.559 3.057 20 0 FGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697549 719444173 /nfs/dbraw/zinc/44/41/73/719444173.db2.gz JJSDQEHMXQKTFB-SJORKVTESA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697549 719444181 /nfs/dbraw/zinc/44/41/81/719444181.db2.gz JJSDQEHMXQKTFB-SJORKVTESA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697549 719444187 /nfs/dbraw/zinc/44/41/87/719444187.db2.gz JJSDQEHMXQKTFB-SJORKVTESA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697549 719444195 /nfs/dbraw/zinc/44/41/95/719444195.db2.gz JJSDQEHMXQKTFB-SJORKVTESA-N 2 1 354.922 3.132 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000657356331 719632020 /nfs/dbraw/zinc/63/20/20/719632020.db2.gz KRULCIGXTSNWMO-IBGZPJMESA-N 2 1 359.539 3.445 20 0 FGADMP CC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903695 724609868 /nfs/dbraw/zinc/60/98/68/724609868.db2.gz HEWCMBNPTUCJKV-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP CC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903694 724610178 /nfs/dbraw/zinc/61/01/78/724610178.db2.gz HEWCMBNPTUCJKV-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657860388 719722586 /nfs/dbraw/zinc/72/25/86/719722586.db2.gz GRJJWXHHVZNKMI-MOPGFXCFSA-N 2 1 366.571 3.381 20 0 FGADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657860388 719722589 /nfs/dbraw/zinc/72/25/89/719722589.db2.gz GRJJWXHHVZNKMI-MOPGFXCFSA-N 2 1 366.571 3.381 20 0 FGADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000657883759 719724903 /nfs/dbraw/zinc/72/49/03/719724903.db2.gz VHYDYXNICZHGHX-KRWDZBQOSA-N 2 1 369.347 3.471 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1cccc(Cl)c1Cl ZINC000659315836 719896145 /nfs/dbraw/zinc/89/61/45/719896145.db2.gz WDUQJSFBVNPXJR-NUTKFTJISA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1cccc(Cl)c1Cl ZINC000659315836 719896152 /nfs/dbraw/zinc/89/61/52/719896152.db2.gz WDUQJSFBVNPXJR-NUTKFTJISA-N 2 1 370.324 3.197 20 0 FGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251036 720405563 /nfs/dbraw/zinc/40/55/63/720405563.db2.gz WMWRUGRIOHXKAX-INIZCTEOSA-N 2 1 353.304 3.181 20 0 FGADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274540 720408150 /nfs/dbraw/zinc/40/81/50/720408150.db2.gz VMZLBOCJCCUIKR-NWDGAFQWSA-N 2 1 358.711 3.319 20 0 FGADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274540 720408151 /nfs/dbraw/zinc/40/81/51/720408151.db2.gz VMZLBOCJCCUIKR-NWDGAFQWSA-N 2 1 358.711 3.319 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000662290116 720410063 /nfs/dbraw/zinc/41/00/63/720410063.db2.gz KJDSYIGMCDUJAE-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294214 720411122 /nfs/dbraw/zinc/41/11/22/720411122.db2.gz CBBSOAQLHJLIQN-QAPCUYQASA-N 2 1 363.933 3.229 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297892 720412105 /nfs/dbraw/zinc/41/21/05/720412105.db2.gz SSOYQDALPAZTEF-RDJZCZTQSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662312986 720414047 /nfs/dbraw/zinc/41/40/47/720414047.db2.gz DNBUQUZORVFJEF-CZUORRHYSA-N 2 1 357.420 3.483 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1cccs1 ZINC000662474069 720432342 /nfs/dbraw/zinc/43/23/42/720432342.db2.gz RYWNGVVWLARIPY-DNVCBOLYSA-N 2 1 355.507 3.164 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662534986 720439213 /nfs/dbraw/zinc/43/92/13/720439213.db2.gz OXKWTKJBXXRXIG-MRXNPFEDSA-N 2 1 370.335 3.029 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663455092 720516702 /nfs/dbraw/zinc/51/67/02/720516702.db2.gz FJNLEWLYMPTHNR-CRAIPNDOSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000663455092 720516704 /nfs/dbraw/zinc/51/67/04/720516704.db2.gz FJNLEWLYMPTHNR-CRAIPNDOSA-N 2 1 366.937 3.068 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357533 720759038 /nfs/dbraw/zinc/75/90/38/720759038.db2.gz OZOMCEFURXGWGQ-DLBZAZTESA-N 2 1 366.937 3.115 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665366969 720760844 /nfs/dbraw/zinc/76/08/44/720760844.db2.gz MLFNTKHLUKIDRF-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665366969 720760845 /nfs/dbraw/zinc/76/08/45/720760845.db2.gz MLFNTKHLUKIDRF-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665366969 720760849 /nfs/dbraw/zinc/76/08/49/720760849.db2.gz MLFNTKHLUKIDRF-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ncsc1-c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000668277532 721271577 /nfs/dbraw/zinc/27/15/77/721271577.db2.gz JQGUNWBXSCMPBL-UHFFFAOYSA-N 2 1 357.523 3.415 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454649 721634212 /nfs/dbraw/zinc/63/42/12/721634212.db2.gz QYCIDCKSTLQFSB-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454649 721634214 /nfs/dbraw/zinc/63/42/14/721634214.db2.gz QYCIDCKSTLQFSB-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454649 721634215 /nfs/dbraw/zinc/63/42/15/721634215.db2.gz QYCIDCKSTLQFSB-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675239126 721741258 /nfs/dbraw/zinc/74/12/58/721741258.db2.gz FMYUSTABJAXMPS-SFHVURJKSA-N 2 1 367.331 3.491 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165029390 721817927 /nfs/dbraw/zinc/81/79/27/721817927.db2.gz YUQKOHQIHFTQIT-DZFGPLHGSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165029390 721817928 /nfs/dbraw/zinc/81/79/28/721817928.db2.gz YUQKOHQIHFTQIT-DZFGPLHGSA-N 2 1 365.525 3.479 20 0 FGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC001165041629 721924619 /nfs/dbraw/zinc/92/46/19/721924619.db2.gz AKTIASNUAHLVBE-RTWAWAEBSA-N 2 1 372.557 3.320 20 0 FGADMP Brc1ccc(-c2ncc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)s2)cc1 ZINC000678343698 721953397 /nfs/dbraw/zinc/95/33/97/721953397.db2.gz YUBZEPXFHPMGGD-CHWSQXEVSA-N 2 1 364.312 3.224 20 0 FGADMP C[N@@H+](Cc1cccc(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679318814 722022423 /nfs/dbraw/zinc/02/24/23/722022423.db2.gz DOFQHCBGVAZQNV-SFHVURJKSA-N 2 1 366.347 3.049 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc3ccccc3[nH]2)c2cccs2)CC1 ZINC000683925532 722314197 /nfs/dbraw/zinc/31/41/97/722314197.db2.gz LKZBLVWDHFORNX-LJQANCHMSA-N 2 1 354.523 3.308 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458016 722385880 /nfs/dbraw/zinc/38/58/80/722385880.db2.gz XQMNLVWQFDYWJY-SFHVURJKSA-N 2 1 365.949 3.339 20 0 FGADMP CCOc1c(Cl)cccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458016 722385882 /nfs/dbraw/zinc/38/58/82/722385882.db2.gz XQMNLVWQFDYWJY-SFHVURJKSA-N 2 1 365.949 3.339 20 0 FGADMP Cc1nc2ccc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2s1 ZINC000685457356 722385918 /nfs/dbraw/zinc/38/59/18/722385918.db2.gz BFIJZDWHYCKMGQ-SFHVURJKSA-N 2 1 358.555 3.205 20 0 FGADMP C[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCN(Cc2ccccc2)CC1 ZINC000710966562 722413672 /nfs/dbraw/zinc/41/36/72/722413672.db2.gz XURWGXDOUQLPEU-UHFFFAOYSA-N 2 1 355.551 3.490 20 0 FGADMP CN(Cc1cc2c(s1)CC[NH2+]C2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000710966562 722413675 /nfs/dbraw/zinc/41/36/75/722413675.db2.gz XURWGXDOUQLPEU-UHFFFAOYSA-N 2 1 355.551 3.490 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000721140151 722419687 /nfs/dbraw/zinc/41/96/87/722419687.db2.gz OOURFCFUTSIVBM-ZJPYXAASSA-N 2 1 351.535 3.096 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C(C)C ZINC000726709116 722437292 /nfs/dbraw/zinc/43/72/92/722437292.db2.gz PAYCMMQUEUPBHN-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP COc1cccc(-n2ccn(C[NH+]3CCC(C[NH+](C)C)CC3)c2=S)c1 ZINC000738076967 722528306 /nfs/dbraw/zinc/52/83/06/722528306.db2.gz PPRXHHJEJGJSKA-UHFFFAOYSA-N 2 1 360.527 3.248 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(Cl)cc1 ZINC000751009916 722790660 /nfs/dbraw/zinc/79/06/60/722790660.db2.gz DVZWHMFSWRCKKR-KRWDZBQOSA-N 2 1 368.978 3.385 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1C ZINC000751011984 722790665 /nfs/dbraw/zinc/79/06/65/722790665.db2.gz QOQBBOZNOUZANO-SFHVURJKSA-N 2 1 362.587 3.348 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102519 723563191 /nfs/dbraw/zinc/56/31/91/723563191.db2.gz URXVTQAOUMFKCM-KSZLIROESA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102519 723563193 /nfs/dbraw/zinc/56/31/93/723563193.db2.gz URXVTQAOUMFKCM-KSZLIROESA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102519 723563194 /nfs/dbraw/zinc/56/31/94/723563194.db2.gz URXVTQAOUMFKCM-KSZLIROESA-N 2 1 351.535 3.192 20 0 FGADMP C[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000766380388 723571025 /nfs/dbraw/zinc/57/10/25/723571025.db2.gz FTTFMMFJVSILKO-OAHLLOKOSA-N 2 1 351.560 3.046 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CN2C[C@@H](C(F)F)CC2=O)CC1)CC(C)C ZINC000795447386 723592200 /nfs/dbraw/zinc/59/22/00/723592200.db2.gz YDLDWWTVLSJJKU-KRWDZBQOSA-N 2 1 359.505 3.138 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@@H](C(F)F)CC2=O)CC1)CC(C)C ZINC000795447386 723592201 /nfs/dbraw/zinc/59/22/01/723592201.db2.gz YDLDWWTVLSJJKU-KRWDZBQOSA-N 2 1 359.505 3.138 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)s1 ZINC000796276524 723629709 /nfs/dbraw/zinc/62/97/09/723629709.db2.gz OKELPRSERPLXCY-ZDUSSCGKSA-N 2 1 366.481 3.099 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000796702861 723651052 /nfs/dbraw/zinc/65/10/52/723651052.db2.gz DCUHIPNUTGFYHP-KZNAEPCWSA-N 2 1 353.551 3.199 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000796753241 723653434 /nfs/dbraw/zinc/65/34/34/723653434.db2.gz CZINIIOWZWITGU-BDXSIMOUSA-N 2 1 351.535 3.096 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4n[nH]cc43)CC2)cs1 ZINC000796762227 723653900 /nfs/dbraw/zinc/65/39/00/723653900.db2.gz QCLFMMMUMDWGSK-QGZVFWFLSA-N 2 1 359.543 3.308 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000774991443 723948955 /nfs/dbraw/zinc/94/89/55/723948955.db2.gz FWVIITWDPYCBJP-GOSISDBHSA-N 2 1 367.331 3.491 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943775 723977615 /nfs/dbraw/zinc/97/76/15/723977615.db2.gz BDNFKYBFGFZKCI-FUHIMQAGSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943775 723977619 /nfs/dbraw/zinc/97/76/19/723977619.db2.gz BDNFKYBFGFZKCI-FUHIMQAGSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943775 723977620 /nfs/dbraw/zinc/97/76/20/723977620.db2.gz BDNFKYBFGFZKCI-FUHIMQAGSA-N 2 1 353.551 3.438 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671633 725080156 /nfs/dbraw/zinc/08/01/56/725080156.db2.gz MYSPBFHUYYLDSY-IRXDYDNUSA-N 2 1 353.551 3.199 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558216 725247368 /nfs/dbraw/zinc/24/73/68/725247368.db2.gz ZTVVOUQICNQZDU-SJORKVTESA-N 2 1 350.576 3.291 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558216 725247370 /nfs/dbraw/zinc/24/73/70/725247370.db2.gz ZTVVOUQICNQZDU-SJORKVTESA-N 2 1 350.576 3.291 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765031 725266162 /nfs/dbraw/zinc/26/61/62/725266162.db2.gz KQPBKRATEZRTHU-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765031 725266164 /nfs/dbraw/zinc/26/61/64/725266164.db2.gz KQPBKRATEZRTHU-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765031 725266166 /nfs/dbraw/zinc/26/61/66/725266166.db2.gz KQPBKRATEZRTHU-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765031 725266169 /nfs/dbraw/zinc/26/61/69/725266169.db2.gz KQPBKRATEZRTHU-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP CC(C)C[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)NC(=O)OC(C)(C)C ZINC000811506046 725370406 /nfs/dbraw/zinc/37/04/06/725370406.db2.gz MLAMOQWBOGNNHY-HRBLRVMOSA-N 2 1 353.551 3.483 20 0 FGADMP CC(C)C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC000811506046 725370408 /nfs/dbraw/zinc/37/04/08/725370408.db2.gz MLAMOQWBOGNNHY-HRBLRVMOSA-N 2 1 353.551 3.483 20 0 FGADMP CC(C)C[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC000811506046 725370409 /nfs/dbraw/zinc/37/04/09/725370409.db2.gz MLAMOQWBOGNNHY-HRBLRVMOSA-N 2 1 353.551 3.483 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145591 727044889 /nfs/dbraw/zinc/04/48/89/727044889.db2.gz ZHFFFTWJRXBPPU-FFZOFVMBSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145591 727044894 /nfs/dbraw/zinc/04/48/94/727044894.db2.gz ZHFFFTWJRXBPPU-FFZOFVMBSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145591 727044902 /nfs/dbraw/zinc/04/49/02/727044902.db2.gz ZHFFFTWJRXBPPU-FFZOFVMBSA-N 2 1 366.933 3.196 20 0 FGADMP COc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c(Cl)c1OC ZINC000815144738 727045129 /nfs/dbraw/zinc/04/51/29/727045129.db2.gz JMWFNPJRAWQPCD-UHFFFAOYSA-N 2 1 369.918 3.208 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641943 727184148 /nfs/dbraw/zinc/18/41/48/727184148.db2.gz KJEIJDNIQKGITC-UXHICEINSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641943 727184150 /nfs/dbraw/zinc/18/41/50/727184150.db2.gz KJEIJDNIQKGITC-UXHICEINSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641943 727184152 /nfs/dbraw/zinc/18/41/52/727184152.db2.gz KJEIJDNIQKGITC-UXHICEINSA-N 2 1 351.535 3.051 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc(Cl)cc3C)CC2)CC1 ZINC000816949422 727208989 /nfs/dbraw/zinc/20/89/89/727208989.db2.gz WEQNQCIGODEWOI-UHFFFAOYSA-N 2 1 364.921 3.178 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000818984270 727334572 /nfs/dbraw/zinc/33/45/72/727334572.db2.gz CLMBMUQCPQQITE-YOEHRIQHSA-N 2 1 355.320 3.193 20 0 FGADMP C[C@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220384 727359339 /nfs/dbraw/zinc/35/93/39/727359339.db2.gz NKUYDHSQIXIJQN-YVEFUNNKSA-N 2 1 371.294 3.036 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000824993114 729367182 /nfs/dbraw/zinc/36/71/82/729367182.db2.gz NUEOFTYUUZFXDX-FGTMMUONSA-N 2 1 351.535 3.383 20 0 FGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834518030 729809332 /nfs/dbraw/zinc/80/93/32/729809332.db2.gz CUEASJOAERBREH-IAGOWNOFSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566850 729814885 /nfs/dbraw/zinc/81/48/85/729814885.db2.gz TZSOQRRCVJNVTH-ZMSDIMECSA-N 2 1 350.507 3.205 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328240 730703317 /nfs/dbraw/zinc/70/33/17/730703317.db2.gz XHJYESNFYXUDEC-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328240 730703323 /nfs/dbraw/zinc/70/33/23/730703323.db2.gz XHJYESNFYXUDEC-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328240 730703327 /nfs/dbraw/zinc/70/33/27/730703327.db2.gz XHJYESNFYXUDEC-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328240 730703332 /nfs/dbraw/zinc/70/33/32/730703332.db2.gz XHJYESNFYXUDEC-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403423 730713605 /nfs/dbraw/zinc/71/36/05/730713605.db2.gz VZYHOWIGRNAPFA-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403423 730713609 /nfs/dbraw/zinc/71/36/09/730713609.db2.gz VZYHOWIGRNAPFA-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850434004 731356879 /nfs/dbraw/zinc/35/68/79/731356879.db2.gz TWQRAYWKSVXOTH-FGTMMUONSA-N 2 1 367.331 3.223 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850434004 731356881 /nfs/dbraw/zinc/35/68/81/731356881.db2.gz TWQRAYWKSVXOTH-FGTMMUONSA-N 2 1 367.331 3.223 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000850509442 731366464 /nfs/dbraw/zinc/36/64/64/731366464.db2.gz QDWGVFYNWKRZEI-ABHNRTSZSA-N 2 1 356.432 3.464 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491476 732220100 /nfs/dbraw/zinc/22/01/00/732220100.db2.gz IRQHZLOKVRSARK-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492101 732220306 /nfs/dbraw/zinc/22/03/06/732220306.db2.gz SZKMREOUBPMTTN-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP COC[C@]1(C)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000859321290 732309753 /nfs/dbraw/zinc/30/97/53/732309753.db2.gz BDCGCYZDFKIDLX-WOJBJXKFSA-N 2 1 370.654 3.412 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436136 733201064 /nfs/dbraw/zinc/20/10/64/733201064.db2.gz UWKPLGWFYVZQEK-ZIAGYGMSSA-N 2 1 367.456 3.152 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475266 733208806 /nfs/dbraw/zinc/20/88/06/733208806.db2.gz JDCOUVPBAMBISJ-YJBOKZPZSA-N 2 1 355.511 3.203 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475266 733208812 /nfs/dbraw/zinc/20/88/12/733208812.db2.gz JDCOUVPBAMBISJ-YJBOKZPZSA-N 2 1 355.511 3.203 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248599 736972176 /nfs/dbraw/zinc/97/21/76/736972176.db2.gz QMSSOBRODBSKEB-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884176413 737640688 /nfs/dbraw/zinc/64/06/88/737640688.db2.gz FFIRBVORROCUJV-BBRMVZONSA-N 2 1 359.436 3.332 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884176414 737640820 /nfs/dbraw/zinc/64/08/20/737640820.db2.gz FFIRBVORROCUJV-CJNGLKHVSA-N 2 1 359.436 3.332 20 0 FGADMP C([NH2+][C@H]1CCOC2(CCCCC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000885980127 739206831 /nfs/dbraw/zinc/20/68/31/739206831.db2.gz UILJBGDEVYJGDW-IBGZPJMESA-N 2 1 350.547 3.493 20 0 FGADMP c1ccc(C(C[NH+]2C[C@@H]3CSC[C@@H]3C2)C[N@H+]2C[C@@H]3CSC[C@@H]3C2)cc1 ZINC000886571735 739271108 /nfs/dbraw/zinc/27/11/08/739271108.db2.gz GPHBGFQTYOODOQ-FXELSEDVSA-N 2 1 374.619 3.360 20 0 FGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886670402 739280482 /nfs/dbraw/zinc/28/04/82/739280482.db2.gz OHHLSEOSWXOOCL-KRWDZBQOSA-N 2 1 363.889 3.299 20 0 FGADMP Cc1csc(C[C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000886692145 739285177 /nfs/dbraw/zinc/28/51/77/739285177.db2.gz SQZKRWXCPFPJOT-LJQANCHMSA-N 2 1 364.603 3.122 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000891569500 739916340 /nfs/dbraw/zinc/91/63/40/739916340.db2.gz WMVVGUNDWUANDR-CALCHBBNSA-N 2 1 351.535 3.240 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892142856 739969889 /nfs/dbraw/zinc/96/98/89/739969889.db2.gz FYMSBRDNAZFNSH-ZDUSSCGKSA-N 2 1 365.465 3.181 20 0 FGADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737782 740039116 /nfs/dbraw/zinc/03/91/16/740039116.db2.gz KRISXJHTQHYMCQ-CGTJXYLNSA-N 2 1 368.518 3.183 20 0 FGADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737782 740039120 /nfs/dbraw/zinc/03/91/20/740039120.db2.gz KRISXJHTQHYMCQ-CGTJXYLNSA-N 2 1 368.518 3.183 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050853 742231871 /nfs/dbraw/zinc/23/18/71/742231871.db2.gz VAMTVIBATGAGTH-ZNMIVQPWSA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050853 742231875 /nfs/dbraw/zinc/23/18/75/742231875.db2.gz VAMTVIBATGAGTH-ZNMIVQPWSA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050853 742231877 /nfs/dbraw/zinc/23/18/77/742231877.db2.gz VAMTVIBATGAGTH-ZNMIVQPWSA-N 2 1 363.493 3.197 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000894188474 742250562 /nfs/dbraw/zinc/25/05/62/742250562.db2.gz ZBJLDUHTINISDD-GJZGRUSLSA-N 2 1 356.388 3.208 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000894188474 742250563 /nfs/dbraw/zinc/25/05/63/742250563.db2.gz ZBJLDUHTINISDD-GJZGRUSLSA-N 2 1 356.388 3.208 20 0 FGADMP CC(C)C[N@H+](Cc1c2c(nn1C)CCSC2)CC1CC[NH+](C)CC1 ZINC000895467387 742415579 /nfs/dbraw/zinc/41/55/79/742415579.db2.gz LJRZPHJBGIYMBR-UHFFFAOYSA-N 2 1 350.576 3.009 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000903500375 743856608 /nfs/dbraw/zinc/85/66/08/743856608.db2.gz ZNYUONKVTGFRQC-UKRRQHHQSA-N 2 1 361.511 3.244 20 0 FGADMP c1sc(C2CCCC2)nc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903508755 743857315 /nfs/dbraw/zinc/85/73/15/743857315.db2.gz UINJQRXNHPYFMY-KDURUIRLSA-N 2 1 360.571 3.201 20 0 FGADMP CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783377 743883786 /nfs/dbraw/zinc/88/37/86/743883786.db2.gz XSBPTEXPVSCCGI-HOCLYGCPSA-N 2 1 365.543 3.439 20 0 FGADMP CCOC(=O)c1csc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783377 743883792 /nfs/dbraw/zinc/88/37/92/743883792.db2.gz XSBPTEXPVSCCGI-HOCLYGCPSA-N 2 1 365.543 3.439 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969828 743906685 /nfs/dbraw/zinc/90/66/85/743906685.db2.gz LXNFTMXFGUDDEF-WMLDXEAASA-N 2 1 367.331 3.128 20 0 FGADMP Cc1ccc(Cl)cc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905295717 744010396 /nfs/dbraw/zinc/01/03/96/744010396.db2.gz XHWFXHWBBHUXBK-CALCHBBNSA-N 2 1 362.905 3.081 20 0 FGADMP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756950 762159542 /nfs/dbraw/zinc/15/95/42/762159542.db2.gz NNUOFPLKLHVQAE-NXHRZFHOSA-N 2 1 363.571 3.113 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756950 762159551 /nfs/dbraw/zinc/15/95/51/762159551.db2.gz NNUOFPLKLHVQAE-NXHRZFHOSA-N 2 1 363.571 3.113 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756950 762159557 /nfs/dbraw/zinc/15/95/57/762159557.db2.gz NNUOFPLKLHVQAE-NXHRZFHOSA-N 2 1 363.571 3.113 20 0 FGADMP Cc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000919719005 758466237 /nfs/dbraw/zinc/46/62/37/758466237.db2.gz OCKWKYKGCFHCFU-UHFFFAOYSA-N 2 1 355.511 3.259 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393946 758913597 /nfs/dbraw/zinc/91/35/97/758913597.db2.gz NZUFPCJHLQTGJL-JYBIWHBTSA-N 2 1 365.587 3.301 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@@H]1C(C)C ZINC000922396088 758914771 /nfs/dbraw/zinc/91/47/71/758914771.db2.gz ZZBKMZARVNLMRB-XYVMCAHJSA-N 2 1 354.585 3.429 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923506438 759135320 /nfs/dbraw/zinc/13/53/20/759135320.db2.gz FMVLGJWSQDBIGT-WDEREUQCSA-N 2 1 363.811 3.214 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C3CC3)C3CCOCC3)CCCC2)CC1 ZINC000924996640 759430125 /nfs/dbraw/zinc/43/01/25/759430125.db2.gz BNYKAUKBSVULBA-FQEVSTJZSA-N 2 1 350.547 3.205 20 0 FGADMP C[C@@H]1[C@@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@H+]1Cc1ccccc1 ZINC000925750890 759532228 /nfs/dbraw/zinc/53/22/28/759532228.db2.gz VZJSFCSZLHRFKO-QAPCUYQASA-N 2 1 356.539 3.013 20 0 FGADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000926739400 759813628 /nfs/dbraw/zinc/81/36/28/759813628.db2.gz RFTHRRGIALDRNQ-WWDZGPRUSA-N 2 1 351.535 3.001 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H](C)c3cc(O)cc(F)c3)C2)[C@H]1C(C)C ZINC000926878168 759835767 /nfs/dbraw/zinc/83/57/67/759835767.db2.gz FFOMVZLJCLSJQS-OJRASUONSA-N 2 1 350.478 3.052 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780130 760456636 /nfs/dbraw/zinc/45/66/36/760456636.db2.gz KWIIAYZBRGLAOJ-XWTMOSNGSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780130 760456641 /nfs/dbraw/zinc/45/66/41/760456641.db2.gz KWIIAYZBRGLAOJ-XWTMOSNGSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780130 760456647 /nfs/dbraw/zinc/45/66/47/760456647.db2.gz KWIIAYZBRGLAOJ-XWTMOSNGSA-N 2 1 353.551 3.484 20 0 FGADMP C[NH+](C)CC1(O)CC[NH+](Cc2nc(-c3ccccc3Cl)cs2)CC1 ZINC000931481384 760872463 /nfs/dbraw/zinc/87/24/63/760872463.db2.gz HVMNVFCOYYPCNV-UHFFFAOYSA-N 2 1 365.930 3.352 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000960007741 762731023 /nfs/dbraw/zinc/73/10/23/762731023.db2.gz GLPAMDBSXJJQRC-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562269 762912500 /nfs/dbraw/zinc/91/25/00/762912500.db2.gz DTJZVHCAGNBCME-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562269 762912502 /nfs/dbraw/zinc/91/25/02/762912502.db2.gz DTJZVHCAGNBCME-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562269 762912503 /nfs/dbraw/zinc/91/25/03/762912503.db2.gz DTJZVHCAGNBCME-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562269 762912505 /nfs/dbraw/zinc/91/25/05/762912505.db2.gz DTJZVHCAGNBCME-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](C/C=C\Cl)CC2)CC[N@H+]1C ZINC000998006644 765090900 /nfs/dbraw/zinc/09/09/00/765090900.db2.gz LKTUCIALAWZUAH-XNSDRUKKSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@H+](C/C=C\Cl)CC2)CC[NH+]1C ZINC000998006644 765090905 /nfs/dbraw/zinc/09/09/05/765090905.db2.gz LKTUCIALAWZUAH-XNSDRUKKSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@@H+](C/C=C\Cl)CC2)CC[NH+]1C ZINC000998006644 765090914 /nfs/dbraw/zinc/09/09/14/765090914.db2.gz LKTUCIALAWZUAH-XNSDRUKKSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[NH+](CCC(C)C)CC2)CC[N@H+]1C ZINC000998007576 765091373 /nfs/dbraw/zinc/09/13/73/765091373.db2.gz PJJYWHOJMIIVRP-HSALFYBXSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[N@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000998007576 765091379 /nfs/dbraw/zinc/09/13/79/765091379.db2.gz PJJYWHOJMIIVRP-HSALFYBXSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[N@@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000998007576 765091384 /nfs/dbraw/zinc/09/13/84/765091384.db2.gz PJJYWHOJMIIVRP-HSALFYBXSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[N@H+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998014911 765092014 /nfs/dbraw/zinc/09/20/14/765092014.db2.gz AIJGDMPPEPMPCI-YZGWKJHDSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998014911 765092024 /nfs/dbraw/zinc/09/20/24/765092024.db2.gz AIJGDMPPEPMPCI-YZGWKJHDSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998014911 765092037 /nfs/dbraw/zinc/09/20/37/765092037.db2.gz AIJGDMPPEPMPCI-YZGWKJHDSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000999204295 765147211 /nfs/dbraw/zinc/14/72/11/765147211.db2.gz DWNOKKPFYSUXAH-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001023379266 766035529 /nfs/dbraw/zinc/03/55/29/766035529.db2.gz JLXBIOSEXRPEAG-QLFBSQMISA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001023379266 766035535 /nfs/dbraw/zinc/03/55/35/766035535.db2.gz JLXBIOSEXRPEAG-QLFBSQMISA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001023379266 766035542 /nfs/dbraw/zinc/03/55/42/766035542.db2.gz JLXBIOSEXRPEAG-QLFBSQMISA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001026855539 766083609 /nfs/dbraw/zinc/08/36/09/766083609.db2.gz ISZIRKGVKHMVQV-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001046330486 766585784 /nfs/dbraw/zinc/58/57/84/766585784.db2.gz LCLHSFYXIBZPTA-NLWGTHIKSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001046330486 766585793 /nfs/dbraw/zinc/58/57/93/766585793.db2.gz LCLHSFYXIBZPTA-NLWGTHIKSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001046330486 766585799 /nfs/dbraw/zinc/58/57/99/766585799.db2.gz LCLHSFYXIBZPTA-NLWGTHIKSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001052393568 766899921 /nfs/dbraw/zinc/89/99/21/766899921.db2.gz OQCWAFAFHMILBU-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC001052393568 766899931 /nfs/dbraw/zinc/89/99/31/766899931.db2.gz OQCWAFAFHMILBU-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC001052393568 766899939 /nfs/dbraw/zinc/89/99/39/766899939.db2.gz OQCWAFAFHMILBU-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](C/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001052394243 766900044 /nfs/dbraw/zinc/90/00/44/766900044.db2.gz CDGVNJBUJDEVQN-ZZNMPHQRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](C/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001052394243 766900051 /nfs/dbraw/zinc/90/00/51/766900051.db2.gz CDGVNJBUJDEVQN-ZZNMPHQRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](C/C(Cl)=C/Cl)CC2)CC[NH+]1C ZINC001052394243 766900053 /nfs/dbraw/zinc/90/00/53/766900053.db2.gz CDGVNJBUJDEVQN-ZZNMPHQRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](C/C(Cl)=C/Cl)CC2)CC[NH+]1C ZINC001052394243 766900055 /nfs/dbraw/zinc/90/00/55/766900055.db2.gz CDGVNJBUJDEVQN-ZZNMPHQRSA-N 2 1 362.345 3.006 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376389768 257468237 /nfs/dbraw/zinc/46/82/37/257468237.db2.gz YPGUGEDZWMGNGA-INIZCTEOSA-N 2 1 350.507 3.111 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376389768 257468239 /nfs/dbraw/zinc/46/82/39/257468239.db2.gz YPGUGEDZWMGNGA-INIZCTEOSA-N 2 1 350.507 3.111 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122342153 494960434 /nfs/dbraw/zinc/96/04/34/494960434.db2.gz RBHRKOTYKSPADZ-WQGACYEGSA-N 2 1 353.304 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122342153 494960438 /nfs/dbraw/zinc/96/04/38/494960438.db2.gz RBHRKOTYKSPADZ-WQGACYEGSA-N 2 1 353.304 3.202 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161344 503693874 /nfs/dbraw/zinc/69/38/74/503693874.db2.gz SQIOAZUVPPABDG-FDFHNCONSA-N 2 1 370.537 3.356 20 0 FGADMP O=C(CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837524 505592246 /nfs/dbraw/zinc/59/22/46/505592246.db2.gz YHFHSSQDVSBETB-GOSISDBHSA-N 2 1 355.457 3.266 20 0 FGADMP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cccc(F)c1 ZINC000570837525 505592294 /nfs/dbraw/zinc/59/22/94/505592294.db2.gz YHFHSSQDVSBETB-SFHVURJKSA-N 2 1 355.457 3.266 20 0 FGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)n2)cc1 ZINC000573669844 505592548 /nfs/dbraw/zinc/59/25/48/505592548.db2.gz JJVZLUUBTZTWRE-QUCCMNQESA-N 2 1 370.497 3.017 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000579703237 505605502 /nfs/dbraw/zinc/60/55/02/505605502.db2.gz GVXMKVCFYYKHFR-UYAOXDASSA-N 2 1 356.510 3.147 20 0 FGADMP COc1cccc(C[C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000579735500 505610382 /nfs/dbraw/zinc/61/03/82/505610382.db2.gz BOTCFVMQEVPVPY-NRFANRHFSA-N 2 1 359.558 3.118 20 0 FGADMP Cc1[nH+]cc(CNc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)n1C ZINC000568269633 505656369 /nfs/dbraw/zinc/65/63/69/505656369.db2.gz RJNUEARJIUOJRX-UHFFFAOYSA-N 2 1 355.486 3.155 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086713 505661668 /nfs/dbraw/zinc/66/16/68/505661668.db2.gz AVBPKZYFVCNSNR-UYAOXDASSA-N 2 1 361.505 3.151 20 0 FGADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1C ZINC000577120129 505668240 /nfs/dbraw/zinc/66/82/40/505668240.db2.gz YOIUBZDMAJWWLH-UHFFFAOYSA-N 2 1 369.509 3.156 20 0 FGADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000568374229 505679065 /nfs/dbraw/zinc/67/90/65/505679065.db2.gz HAVNFVXJNIMIIZ-LNLFQRSKSA-N 2 1 356.514 3.328 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccc(OC)cc3)o2)CC1 ZINC000047977156 493768144 /nfs/dbraw/zinc/76/81/44/493768144.db2.gz HDONKAFBEXHNBZ-UHFFFAOYSA-N 2 1 358.486 3.299 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000057631020 493780173 /nfs/dbraw/zinc/78/01/73/493780173.db2.gz RNNHVTHAMQDZPC-IBGZPJMESA-N 2 1 360.546 3.114 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)on1 ZINC000057844102 493807658 /nfs/dbraw/zinc/80/76/58/493807658.db2.gz QNGGHJUAHBJIAN-QGZVFWFLSA-N 2 1 370.497 3.154 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000057844102 493807663 /nfs/dbraw/zinc/80/76/63/493807663.db2.gz QNGGHJUAHBJIAN-QGZVFWFLSA-N 2 1 370.497 3.154 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095929 493831636 /nfs/dbraw/zinc/83/16/36/493831636.db2.gz OSIHHLKGPFCWEK-QUCCMNQESA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095929 493831637 /nfs/dbraw/zinc/83/16/37/493831637.db2.gz OSIHHLKGPFCWEK-QUCCMNQESA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095929 493831638 /nfs/dbraw/zinc/83/16/38/493831638.db2.gz OSIHHLKGPFCWEK-QUCCMNQESA-N 2 1 370.545 3.173 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000069178813 493933539 /nfs/dbraw/zinc/93/35/39/493933539.db2.gz QYJNBSMIZQVKGV-IBGZPJMESA-N 2 1 359.901 3.434 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000081634910 493934190 /nfs/dbraw/zinc/93/41/90/493934190.db2.gz WUXVACPFAXDOCX-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000081634910 493934198 /nfs/dbraw/zinc/93/41/98/493934198.db2.gz WUXVACPFAXDOCX-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000081634910 493934201 /nfs/dbraw/zinc/93/42/01/493934201.db2.gz WUXVACPFAXDOCX-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000081634910 493934206 /nfs/dbraw/zinc/93/42/06/493934206.db2.gz WUXVACPFAXDOCX-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000577221564 505690597 /nfs/dbraw/zinc/69/05/97/505690597.db2.gz YUBAJNGISKVXSR-QVHKTLOISA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000577221564 505690600 /nfs/dbraw/zinc/69/06/00/505690600.db2.gz YUBAJNGISKVXSR-QVHKTLOISA-N 2 1 355.404 3.092 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000076776490 493968101 /nfs/dbraw/zinc/96/81/01/493968101.db2.gz QZYXXLLRLZMXQW-UHFFFAOYSA-N 2 1 374.529 3.169 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000069620542 493989300 /nfs/dbraw/zinc/98/93/00/493989300.db2.gz GBYWURLCWFDMMO-HXUWFJFHSA-N 2 1 372.557 3.339 20 0 FGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(Br)c1 ZINC000051957259 493994679 /nfs/dbraw/zinc/99/46/79/493994679.db2.gz IDJAGINUTGCOLR-UHFFFAOYSA-N 2 1 371.294 3.132 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC)Cc2ccccc2)CC1 ZINC000052208947 494012069 /nfs/dbraw/zinc/01/20/69/494012069.db2.gz YBQXBAITPHTWLU-UHFFFAOYSA-N 2 1 359.558 3.479 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000062505753 494014858 /nfs/dbraw/zinc/01/48/58/494014858.db2.gz AUOQBHJRGCXOPA-MSOLQXFVSA-N 2 1 360.546 3.058 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000577275444 505698938 /nfs/dbraw/zinc/69/89/38/505698938.db2.gz YKZIFMBMHCVBSW-YVWKXTFCSA-N 2 1 362.514 3.463 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000577275444 505698939 /nfs/dbraw/zinc/69/89/39/505698939.db2.gz YKZIFMBMHCVBSW-YVWKXTFCSA-N 2 1 362.514 3.463 20 0 FGADMP Brc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc2c1OCO2 ZINC000037301334 494103235 /nfs/dbraw/zinc/10/32/35/494103235.db2.gz KJOHITUWBWWEHV-UHFFFAOYSA-N 2 1 355.276 3.143 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)c1 ZINC000064229623 494106978 /nfs/dbraw/zinc/10/69/78/494106978.db2.gz JMABXPMBQMPYPA-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000085402632 494121707 /nfs/dbraw/zinc/12/17/07/494121707.db2.gz DATUZIIKXQTYMO-RZMNMVRNSA-N 2 1 364.578 3.011 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000077695180 494147249 /nfs/dbraw/zinc/14/72/49/494147249.db2.gz NHNMQKWERBGUFI-UHFFFAOYSA-N 2 1 364.559 3.089 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000077695180 494147250 /nfs/dbraw/zinc/14/72/50/494147250.db2.gz NHNMQKWERBGUFI-UHFFFAOYSA-N 2 1 364.559 3.089 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000571308417 505703957 /nfs/dbraw/zinc/70/39/57/505703957.db2.gz KIKZZCTTXFTMNL-VOQZNFBZSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000571308417 505703959 /nfs/dbraw/zinc/70/39/59/505703959.db2.gz KIKZZCTTXFTMNL-VOQZNFBZSA-N 2 1 356.485 3.372 20 0 FGADMP CC(CC[NH+]1CCCC[C@@H]1C1(O)CC1)CC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000568484291 505706161 /nfs/dbraw/zinc/70/61/61/505706161.db2.gz GPZHYRMEKSFDPB-WOJBJXKFSA-N 2 1 364.574 3.162 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000042929579 494252628 /nfs/dbraw/zinc/25/26/28/494252628.db2.gz FDIQVKXFAFQRPM-OALUTQOASA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524443 494313276 /nfs/dbraw/zinc/31/32/76/494313276.db2.gz RLEMMDVULOKAFP-UXHICEINSA-N 2 1 366.594 3.307 20 0 FGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089512900 494319182 /nfs/dbraw/zinc/31/91/82/494319182.db2.gz NXEGGXMGCVRPMP-OAHLLOKOSA-N 2 1 352.544 3.394 20 0 FGADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)cc21 ZINC000073102798 494322535 /nfs/dbraw/zinc/32/25/35/494322535.db2.gz DHXKGGNYIZEVHN-OAQYLSRUSA-N 2 1 364.493 3.444 20 0 FGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594237 494327675 /nfs/dbraw/zinc/32/76/75/494327675.db2.gz CRYGEOFDCCVRFU-GOSISDBHSA-N 2 1 374.525 3.361 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000066704722 494389316 /nfs/dbraw/zinc/38/93/16/494389316.db2.gz IDYSFSZCAVSQOY-LJQANCHMSA-N 2 1 352.567 3.157 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000073594699 494396075 /nfs/dbraw/zinc/39/60/75/494396075.db2.gz JASZDDXIUKDNRP-NXEWRWPSSA-N 2 1 364.578 3.202 20 0 FGADMP O=C(C[N@H+]1CCCC[C@@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000090010415 494428448 /nfs/dbraw/zinc/42/84/48/494428448.db2.gz LGURPENOALJBOO-OAQYLSRUSA-N 2 1 369.553 3.217 20 0 FGADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795127 494430552 /nfs/dbraw/zinc/43/05/52/494430552.db2.gz IPAVSIAYXVNTDI-IRXDYDNUSA-N 2 1 366.575 3.257 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2cccs2)CC1 ZINC000066960890 494445699 /nfs/dbraw/zinc/44/56/99/494445699.db2.gz SQQPFMORHQBGCA-MRXNPFEDSA-N 2 1 351.560 3.197 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079393437 494446314 /nfs/dbraw/zinc/44/63/14/494446314.db2.gz DGNFDRFATFBHSL-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079393437 494446318 /nfs/dbraw/zinc/44/63/18/494446318.db2.gz DGNFDRFATFBHSL-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079549133 494477531 /nfs/dbraw/zinc/47/75/31/494477531.db2.gz PKFBWOKBGCKWDM-IEBWSBKVSA-N 2 1 374.529 3.156 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000074100440 494480979 /nfs/dbraw/zinc/48/09/79/494480979.db2.gz XEMWTYFLWUBNHA-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000074100440 494480984 /nfs/dbraw/zinc/48/09/84/494480984.db2.gz XEMWTYFLWUBNHA-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000074100440 494480989 /nfs/dbraw/zinc/48/09/89/494480989.db2.gz XEMWTYFLWUBNHA-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)CC1 ZINC000079610095 494492457 /nfs/dbraw/zinc/49/24/57/494492457.db2.gz LRXFHXUTWMVVLF-UHFFFAOYSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000079610095 494492462 /nfs/dbraw/zinc/49/24/62/494492462.db2.gz LRXFHXUTWMVVLF-UHFFFAOYSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000079610095 494492466 /nfs/dbraw/zinc/49/24/66/494492466.db2.gz LRXFHXUTWMVVLF-UHFFFAOYSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090936737 494505013 /nfs/dbraw/zinc/50/50/13/494505013.db2.gz ZTLNSCXIYRLOFZ-OPGCRTJHSA-N 2 1 353.913 3.402 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@H](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570677 505724757 /nfs/dbraw/zinc/72/47/57/505724757.db2.gz GIMLMSWSMBEQLD-LQWHRVPQSA-N 2 1 373.541 3.069 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000067280756 494507883 /nfs/dbraw/zinc/50/78/83/494507883.db2.gz BKGMEGJXQYEEFN-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(-c3ccccc3)nc2)C[C@H](C)O1 ZINC000067452674 494544112 /nfs/dbraw/zinc/54/41/12/494544112.db2.gz LJGAIRITPPGFHJ-HDICACEKSA-N 2 1 354.498 3.123 20 0 FGADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237721 505727019 /nfs/dbraw/zinc/72/70/19/505727019.db2.gz UREYGUHRULNIOU-AEFFLSMTSA-N 2 1 351.560 3.197 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000056764042 494558774 /nfs/dbraw/zinc/55/87/74/494558774.db2.gz PRVRELZFHQSHKC-LJQANCHMSA-N 2 1 358.530 3.178 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000056780767 494561857 /nfs/dbraw/zinc/56/18/57/494561857.db2.gz DINYKHFREFIAKU-UHFFFAOYSA-N 2 1 352.567 3.057 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncccc3C(C)C)CC2)CC1 ZINC000571416051 505728298 /nfs/dbraw/zinc/72/82/98/505728298.db2.gz IKSJYZJYTDUXAI-UHFFFAOYSA-N 2 1 358.530 3.340 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000074713511 494580169 /nfs/dbraw/zinc/58/01/69/494580169.db2.gz ROFDUABOHVJEQH-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080118267 494602885 /nfs/dbraw/zinc/60/28/85/494602885.db2.gz CTSOUIGJWGURKP-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118267 494602890 /nfs/dbraw/zinc/60/28/90/494602890.db2.gz CTSOUIGJWGURKP-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118267 494602895 /nfs/dbraw/zinc/60/28/95/494602895.db2.gz CTSOUIGJWGURKP-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074791634 494603072 /nfs/dbraw/zinc/60/30/72/494603072.db2.gz YYNJFWPADWQPOR-YQQQUEKLSA-N 2 1 352.567 3.011 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000131402600 494606259 /nfs/dbraw/zinc/60/62/59/494606259.db2.gz SPOQCHSTJBRJLR-UHFFFAOYSA-N 2 1 364.537 3.479 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3cccnc3)C2)CC1 ZINC000092587695 494677547 /nfs/dbraw/zinc/67/75/47/494677547.db2.gz COYRLFSBMYEQPB-IBGZPJMESA-N 2 1 367.541 3.426 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3cccnc3)C2)CC1 ZINC000092587695 494677557 /nfs/dbraw/zinc/67/75/57/494677557.db2.gz COYRLFSBMYEQPB-IBGZPJMESA-N 2 1 367.541 3.426 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080611592 494746753 /nfs/dbraw/zinc/74/67/53/494746753.db2.gz GTWBAKDBPFSDLN-RTBURBONSA-N 2 1 373.566 3.357 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000080639948 494751795 /nfs/dbraw/zinc/75/17/95/494751795.db2.gz WSLXOGBFEJCZBT-HXUWFJFHSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000080639948 494751804 /nfs/dbraw/zinc/75/18/04/494751804.db2.gz WSLXOGBFEJCZBT-HXUWFJFHSA-N 2 1 361.505 3.027 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466227 505740096 /nfs/dbraw/zinc/74/00/96/505740096.db2.gz QPROFDPZOMOJQU-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466227 505740100 /nfs/dbraw/zinc/74/01/00/505740100.db2.gz QPROFDPZOMOJQU-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466227 505740105 /nfs/dbraw/zinc/74/01/05/505740105.db2.gz QPROFDPZOMOJQU-QGZVFWFLSA-N 2 1 371.294 3.385 20 0 FGADMP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820887 494761185 /nfs/dbraw/zinc/76/11/85/494761185.db2.gz CVMFFCWFEPCKCN-KRWDZBQOSA-N 2 1 360.546 3.313 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000080665374 494761511 /nfs/dbraw/zinc/76/15/11/494761511.db2.gz KIMCGVFZCKEQGP-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000080665374 494761517 /nfs/dbraw/zinc/76/15/17/494761517.db2.gz KIMCGVFZCKEQGP-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000080665374 494761529 /nfs/dbraw/zinc/76/15/29/494761529.db2.gz KIMCGVFZCKEQGP-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821424 494762785 /nfs/dbraw/zinc/76/27/85/494762785.db2.gz XXMNYDXYYOAGFV-NQIIRXRSSA-N 2 1 372.557 3.315 20 0 FGADMP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821141 494763385 /nfs/dbraw/zinc/76/33/85/494763385.db2.gz BZEQSYIMWIBIPT-SFHVURJKSA-N 2 1 360.546 3.171 20 0 FGADMP O=C(NC1CC1)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025700638 494771023 /nfs/dbraw/zinc/77/10/23/494771023.db2.gz UWXQFXNKZOCEKC-JOCHJYFZSA-N 2 1 363.505 3.392 20 0 FGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)Cc1cccc(F)c1 ZINC000116397148 494772552 /nfs/dbraw/zinc/77/25/52/494772552.db2.gz JXOOXWYQBABCLF-QAPCUYQASA-N 2 1 351.510 3.129 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000574295204 505740884 /nfs/dbraw/zinc/74/08/84/505740884.db2.gz HLDQFTGXSARXOE-UGKGYDQZSA-N 2 1 373.541 3.070 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116433858 494784725 /nfs/dbraw/zinc/78/47/25/494784725.db2.gz AMEHTUXWNLMLSR-ROUUACIJSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[N@H+](Cc1cc(OC)ccn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121592024 494813603 /nfs/dbraw/zinc/81/36/03/494813603.db2.gz BKMFGNSWSDSXFQ-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1cc(OC)ccn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121592024 494813607 /nfs/dbraw/zinc/81/36/07/494813607.db2.gz BKMFGNSWSDSXFQ-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000568642556 505743320 /nfs/dbraw/zinc/74/33/20/505743320.db2.gz PYRRKWLHTIPGOT-FDFHNCONSA-N 3 1 357.542 3.124 20 0 FGADMP CN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000568642556 505743325 /nfs/dbraw/zinc/74/33/25/505743325.db2.gz PYRRKWLHTIPGOT-FDFHNCONSA-N 2 1 357.542 3.124 20 0 FGADMP C[N@@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000568642556 505743327 /nfs/dbraw/zinc/74/33/27/505743327.db2.gz PYRRKWLHTIPGOT-FDFHNCONSA-N 2 1 357.542 3.124 20 0 FGADMP C[N@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000568642556 505743331 /nfs/dbraw/zinc/74/33/31/505743331.db2.gz PYRRKWLHTIPGOT-FDFHNCONSA-N 2 1 357.542 3.124 20 0 FGADMP c1cc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000121590297 494813987 /nfs/dbraw/zinc/81/39/87/494813987.db2.gz UBBWVAXXTDTFON-HBMCJLEFSA-N 2 1 355.526 3.026 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560885 494814808 /nfs/dbraw/zinc/81/48/08/494814808.db2.gz SXMUPGBOZIQHPK-MOPGFXCFSA-N 2 1 372.557 3.195 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000568642555 505743660 /nfs/dbraw/zinc/74/36/60/505743660.db2.gz PYRRKWLHTIPGOT-BHIFYINESA-N 3 1 357.542 3.124 20 0 FGADMP CN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000568642555 505743661 /nfs/dbraw/zinc/74/36/61/505743661.db2.gz PYRRKWLHTIPGOT-BHIFYINESA-N 2 1 357.542 3.124 20 0 FGADMP C[N@@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000568642555 505743662 /nfs/dbraw/zinc/74/36/62/505743662.db2.gz PYRRKWLHTIPGOT-BHIFYINESA-N 2 1 357.542 3.124 20 0 FGADMP C[N@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000568642555 505743663 /nfs/dbraw/zinc/74/36/63/505743663.db2.gz PYRRKWLHTIPGOT-BHIFYINESA-N 2 1 357.542 3.124 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126733044 494827806 /nfs/dbraw/zinc/82/78/06/494827806.db2.gz UYDXSVUIAFBCHF-RBBKRZOGSA-N 2 1 367.537 3.371 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000577539558 505748284 /nfs/dbraw/zinc/74/82/84/505748284.db2.gz XCVCORUANRGZPZ-UHFFFAOYSA-N 2 1 350.532 3.027 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000577539558 505748286 /nfs/dbraw/zinc/74/82/86/505748286.db2.gz XCVCORUANRGZPZ-UHFFFAOYSA-N 2 1 350.532 3.027 20 0 FGADMP COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc12 ZINC000093148268 494834884 /nfs/dbraw/zinc/83/48/84/494834884.db2.gz QOGVYAJUTCJQHJ-HXUWFJFHSA-N 2 1 367.537 3.450 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597544 494902984 /nfs/dbraw/zinc/90/29/84/494902984.db2.gz AWNPIODQHYPQKV-NRFANRHFSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597544 494902986 /nfs/dbraw/zinc/90/29/86/494902986.db2.gz AWNPIODQHYPQKV-NRFANRHFSA-N 3 1 370.585 3.136 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000127291293 494923182 /nfs/dbraw/zinc/92/31/82/494923182.db2.gz PEIPOFNZBMHUIU-XLIONFOSSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3c[nH]nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000093844376 494927363 /nfs/dbraw/zinc/92/73/63/494927363.db2.gz HHNSYQANVSOJDV-CALCHBBNSA-N 2 1 362.562 3.419 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1N(C)C ZINC000093941545 494937590 /nfs/dbraw/zinc/93/75/90/494937590.db2.gz LXQKXBUJQZLZDX-GOSISDBHSA-N 2 1 353.510 3.436 20 0 FGADMP COc1cc(NC2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc(OC)c1 ZINC000127449083 494946215 /nfs/dbraw/zinc/94/62/15/494946215.db2.gz GHWONNFAWKFKTG-UHFFFAOYSA-N 2 1 358.486 3.175 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122335795 494959830 /nfs/dbraw/zinc/95/98/30/494959830.db2.gz MLEPCRYKPGMEEO-CTNGQTDRSA-N 2 1 358.526 3.216 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133451443 495015737 /nfs/dbraw/zinc/01/57/37/495015737.db2.gz OOIVXOUJCIEFCJ-QMMLZNLJSA-N 2 1 365.537 3.155 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)[NH+](C)C)cc1 ZINC000127941950 495020755 /nfs/dbraw/zinc/02/07/55/495020755.db2.gz BOJUBRVKZALGFH-YYWHXJBOSA-N 2 1 374.573 3.223 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173257 495062677 /nfs/dbraw/zinc/06/26/77/495062677.db2.gz QDZUPBQHMFQMFN-GJZGRUSLSA-N 2 1 367.921 3.387 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000123219755 495098791 /nfs/dbraw/zinc/09/87/91/495098791.db2.gz DERQEOMBDBCKLP-JXFKEZNVSA-N 2 1 367.497 3.121 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000134155559 495113938 /nfs/dbraw/zinc/11/39/38/495113938.db2.gz DNYPZIVWKTWGGA-UHFFFAOYSA-N 2 1 362.514 3.410 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000128839631 495157517 /nfs/dbraw/zinc/15/75/17/495157517.db2.gz PPWFZSXPTQCKAJ-GOSISDBHSA-N 2 1 364.578 3.061 20 0 FGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571577834 505765238 /nfs/dbraw/zinc/76/52/38/505765238.db2.gz OXMJWDRKPFHTBH-ZDUSSCGKSA-N 2 1 365.428 3.055 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000571577834 505765239 /nfs/dbraw/zinc/76/52/39/505765239.db2.gz OXMJWDRKPFHTBH-ZDUSSCGKSA-N 2 1 365.428 3.055 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[nH+]c1 ZINC000119501110 495178711 /nfs/dbraw/zinc/17/87/11/495178711.db2.gz GKPBCIWLINYQHY-ZWKOTPCHSA-N 2 1 373.545 3.144 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH+]c1 ZINC000119501110 495178716 /nfs/dbraw/zinc/17/87/16/495178716.db2.gz GKPBCIWLINYQHY-ZWKOTPCHSA-N 2 1 373.545 3.144 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000119644752 495209294 /nfs/dbraw/zinc/20/92/94/495209294.db2.gz PKAMZAHIRJPZKK-QUCCMNQESA-N 2 1 356.514 3.099 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000124005984 495219979 /nfs/dbraw/zinc/21/99/79/495219979.db2.gz KWBGWVHRHOVMOE-MRXNPFEDSA-N 2 1 360.523 3.393 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000577633753 505768097 /nfs/dbraw/zinc/76/80/97/505768097.db2.gz XEXGDEWCCTWUIY-CVEARBPZSA-N 2 1 373.722 3.431 20 0 FGADMP Cc1ccc(-n2ccnc2)c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000124185411 495246975 /nfs/dbraw/zinc/24/69/75/495246975.db2.gz JKAQXCIDHWRZEQ-SFHVURJKSA-N 2 1 354.498 3.279 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000119900048 495265669 /nfs/dbraw/zinc/26/56/69/495265669.db2.gz OAHGSJVEHGESRM-CYBMUJFWSA-N 2 1 362.827 3.016 20 0 FGADMP c1cc(C[N@@H+]2CCOCC23CCC3)ccc1C[NH+]1CCOCC12CCC2 ZINC000135526467 495306512 /nfs/dbraw/zinc/30/65/12/495306512.db2.gz GMOGAHBFCSBYKK-UHFFFAOYSA-N 2 1 356.510 3.196 20 0 FGADMP c1cc(C[N@H+]2CCOCC23CCC3)ccc1C[NH+]1CCOCC12CCC2 ZINC000135526467 495306516 /nfs/dbraw/zinc/30/65/16/495306516.db2.gz GMOGAHBFCSBYKK-UHFFFAOYSA-N 2 1 356.510 3.196 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)[C@H](C)c3ccccc3)CC2)oc1C ZINC000574445314 505775187 /nfs/dbraw/zinc/77/51/87/505775187.db2.gz YTHNJLVGAFETHM-IERDGZPVSA-N 2 1 371.525 3.258 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105113378 495337957 /nfs/dbraw/zinc/33/79/57/495337957.db2.gz XXBLQHRSLFDVGH-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000105123952 495339161 /nfs/dbraw/zinc/33/91/61/495339161.db2.gz LRTPQVLKSMFAMO-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105134684 495339803 /nfs/dbraw/zinc/33/98/03/495339803.db2.gz BERYCLKKYGRIOD-WOJBJXKFSA-N 2 1 364.578 3.301 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000105476174 495365820 /nfs/dbraw/zinc/36/58/20/495365820.db2.gz AIKPSCXOJFYCFP-UHFFFAOYSA-N 2 1 363.855 3.476 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789888 505777757 /nfs/dbraw/zinc/77/77/57/505777757.db2.gz MMDGMCJCBGSHAK-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568789888 505777761 /nfs/dbraw/zinc/77/77/61/505777761.db2.gz MMDGMCJCBGSHAK-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568789888 505777767 /nfs/dbraw/zinc/77/77/67/505777767.db2.gz MMDGMCJCBGSHAK-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000114455435 495376987 /nfs/dbraw/zinc/37/69/87/495376987.db2.gz AYEGMXPKHFBFOS-OAHLLOKOSA-N 2 1 351.922 3.322 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccc(Cl)c2)CC1 ZINC000114455435 495376989 /nfs/dbraw/zinc/37/69/89/495376989.db2.gz AYEGMXPKHFBFOS-OAHLLOKOSA-N 2 1 351.922 3.322 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000130359517 495380054 /nfs/dbraw/zinc/38/00/54/495380054.db2.gz AWEYVVJGDUEGTK-CQSZACIVSA-N 2 1 364.440 3.011 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1 ZINC000130359517 495380056 /nfs/dbraw/zinc/38/00/56/495380056.db2.gz AWEYVVJGDUEGTK-CQSZACIVSA-N 2 1 364.440 3.011 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000125052112 495382776 /nfs/dbraw/zinc/38/27/76/495382776.db2.gz LIASVFBGHNEMCV-QGZVFWFLSA-N 2 1 359.514 3.016 20 0 FGADMP c1ccc(-c2noc(C3CC[NH+](CCC[NH+]4CCCCC4)CC3)n2)nc1 ZINC000125095262 495390152 /nfs/dbraw/zinc/39/01/52/495390152.db2.gz NIYRENKDCKPBRD-UHFFFAOYSA-N 2 1 355.486 3.187 20 0 FGADMP Cc1cc(C(=O)NC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c(C)o1 ZINC000120538181 495401043 /nfs/dbraw/zinc/40/10/43/495401043.db2.gz LKHAEYLPSYKIBK-UHFFFAOYSA-N 2 1 358.486 3.076 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000130614881 495420068 /nfs/dbraw/zinc/42/00/68/495420068.db2.gz IIPCZSCCHWPYHY-GOSISDBHSA-N 2 1 360.889 3.362 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000130614881 495420071 /nfs/dbraw/zinc/42/00/71/495420071.db2.gz IIPCZSCCHWPYHY-GOSISDBHSA-N 2 1 360.889 3.362 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(CC(=O)Nc2nnc(C(C)C)s2)CC1 ZINC000137400763 495439110 /nfs/dbraw/zinc/43/91/10/495439110.db2.gz SURRQJMUXZHHGB-UHFFFAOYSA-N 2 1 367.563 3.044 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748798 495450226 /nfs/dbraw/zinc/45/02/26/495450226.db2.gz CHXXXSGKFCPTRA-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748798 495450231 /nfs/dbraw/zinc/45/02/31/495450231.db2.gz CHXXXSGKFCPTRA-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748798 495450235 /nfs/dbraw/zinc/45/02/35/495450235.db2.gz CHXXXSGKFCPTRA-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106388341 495450816 /nfs/dbraw/zinc/45/08/16/495450816.db2.gz SROVAUUZNOTIST-KXBFYZLASA-N 2 1 354.922 3.195 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106388341 495450818 /nfs/dbraw/zinc/45/08/18/495450818.db2.gz SROVAUUZNOTIST-KXBFYZLASA-N 2 1 354.922 3.195 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)c2)cc1 ZINC000125480949 495451043 /nfs/dbraw/zinc/45/10/43/495451043.db2.gz BIXKPWUZCKWAOU-SFHVURJKSA-N 2 1 367.493 3.331 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2)cc1 ZINC000125480949 495451049 /nfs/dbraw/zinc/45/10/49/495451049.db2.gz BIXKPWUZCKWAOU-SFHVURJKSA-N 2 1 367.493 3.331 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138120127 495456532 /nfs/dbraw/zinc/45/65/32/495456532.db2.gz FQUGFIRAXFLLQZ-VIQWUECVSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554537 495468505 /nfs/dbraw/zinc/46/85/05/495468505.db2.gz MWSOCOQUWYZZBB-HKUYNNGSSA-N 2 1 374.529 3.041 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000107368730 495525858 /nfs/dbraw/zinc/52/58/58/495525858.db2.gz VDAKJPOWLBTDIF-MAUKXSAKSA-N 2 1 355.448 3.478 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cc(C)c(C(C)=O)c3C)C2)CC1 ZINC000107370674 495526354 /nfs/dbraw/zinc/52/63/54/495526354.db2.gz OISWODJGVSJMNI-FQEVSTJZSA-N 2 1 357.542 3.026 20 0 FGADMP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182375872 495538053 /nfs/dbraw/zinc/53/80/53/495538053.db2.gz VQXXHOVZEKNNMH-MOPGFXCFSA-N 2 1 364.578 3.061 20 0 FGADMP COc1ccccc1CCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182421406 495558180 /nfs/dbraw/zinc/55/81/80/495558180.db2.gz DTUUAHUWTBXSNH-BGYRXZFFSA-N 2 1 359.558 3.118 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158648301 495558515 /nfs/dbraw/zinc/55/85/15/495558515.db2.gz YHPDMRRWOTWZOX-ZACQAIPSSA-N 2 1 352.544 3.109 20 0 FGADMP COC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000154398957 495604849 /nfs/dbraw/zinc/60/48/49/495604849.db2.gz RVHVSFDHHAWTCG-SFHVURJKSA-N 2 1 373.463 3.010 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154460311 495622655 /nfs/dbraw/zinc/62/26/55/495622655.db2.gz IZQRKVRXTZBKQV-SFHVURJKSA-N 2 1 363.546 3.081 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154529768 495644901 /nfs/dbraw/zinc/64/49/01/495644901.db2.gz YKPLULZTLMYZDE-MRXNPFEDSA-N 2 1 355.473 3.356 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000182690360 495664663 /nfs/dbraw/zinc/66/46/63/495664663.db2.gz FDOKNYURWORPRV-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185670532 495673138 /nfs/dbraw/zinc/67/31/38/495673138.db2.gz YFZOYMDKMZBTOP-QLFBSQMISA-N 2 1 364.921 3.305 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185670532 495673141 /nfs/dbraw/zinc/67/31/41/495673141.db2.gz YFZOYMDKMZBTOP-QLFBSQMISA-N 2 1 364.921 3.305 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676065 495673589 /nfs/dbraw/zinc/67/35/89/495673589.db2.gz QSQBPAJJLIGCDS-SFHLNBCPSA-N 2 1 360.542 3.286 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000173815391 495704847 /nfs/dbraw/zinc/70/48/47/495704847.db2.gz NDRIUFLHWRCVAZ-QFIPXVFZSA-N 2 1 365.521 3.419 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154738569 495712665 /nfs/dbraw/zinc/71/26/65/495712665.db2.gz KSGMZQHUHRNVAV-NHCUHLMSSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154738569 495712671 /nfs/dbraw/zinc/71/26/71/495712671.db2.gz KSGMZQHUHRNVAV-NHCUHLMSSA-N 2 1 360.542 3.179 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000176626165 495725315 /nfs/dbraw/zinc/72/53/15/495725315.db2.gz SSOIBJAZDDPKAV-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176626165 495725321 /nfs/dbraw/zinc/72/53/21/495725321.db2.gz SSOIBJAZDDPKAV-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176626165 495725326 /nfs/dbraw/zinc/72/53/26/495725326.db2.gz SSOIBJAZDDPKAV-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173870547 495726287 /nfs/dbraw/zinc/72/62/87/495726287.db2.gz SZYQTYWJBZBJHU-UNWVZKJWSA-N 2 1 372.553 3.249 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000154837576 495744247 /nfs/dbraw/zinc/74/42/47/495744247.db2.gz WSKWHQZMCMGYCV-JOCHJYFZSA-N 2 1 357.542 3.278 20 0 FGADMP c1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)oc1-c1ccccc1 ZINC000173950870 495759538 /nfs/dbraw/zinc/75/95/38/495759538.db2.gz DOISTSKFLOBFLL-UHFFFAOYSA-N 2 1 355.482 3.418 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185891055 495768502 /nfs/dbraw/zinc/76/85/02/495768502.db2.gz DHDWLJRYOOXOPZ-HXUWFJFHSA-N 2 1 373.928 3.366 20 0 FGADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156732 495841604 /nfs/dbraw/zinc/84/16/04/495841604.db2.gz APFPAXFVNYVGNN-IRXDYDNUSA-N 2 1 357.498 3.304 20 0 FGADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387746 495850538 /nfs/dbraw/zinc/85/05/38/495850538.db2.gz PCVYHHQZHAISPI-SFHVURJKSA-N 2 1 362.518 3.288 20 0 FGADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000577864431 505808381 /nfs/dbraw/zinc/80/83/81/505808381.db2.gz LBBFOUFOWPSYTF-NRFANRHFSA-N 2 1 357.542 3.450 20 0 FGADMP CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180115039 495865034 /nfs/dbraw/zinc/86/50/34/495865034.db2.gz IAJOBBVJASMDIO-FRIKZZABSA-N 2 1 363.505 3.331 20 0 FGADMP CNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180115039 495865038 /nfs/dbraw/zinc/86/50/38/495865038.db2.gz IAJOBBVJASMDIO-FRIKZZABSA-N 2 1 363.505 3.331 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cn(Cc3cccnc3)nn2)CC1 ZINC000183171119 495866245 /nfs/dbraw/zinc/86/62/45/495866245.db2.gz CZTZZFLOFNVWLN-UHFFFAOYSA-N 2 1 370.545 3.055 20 0 FGADMP CC1(C)CC([NH2+]Cc2cnc3ccc(Br)cn23)CC(C)(C)[NH2+]1 ZINC000174245677 495880467 /nfs/dbraw/zinc/88/04/67/495880467.db2.gz ZAMHPHPSRPJLPB-UHFFFAOYSA-N 2 1 365.319 3.496 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174345178 495920480 /nfs/dbraw/zinc/92/04/80/495920480.db2.gz LLPSLASGOQCJIF-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000571772383 505812442 /nfs/dbraw/zinc/81/24/42/505812442.db2.gz QKVDHYHFADAGFZ-FOIQADDNSA-N 2 1 350.466 3.074 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000177456875 496068426 /nfs/dbraw/zinc/06/84/26/496068426.db2.gz ZTLLHTQDEPBTEE-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)CCOCC2)cc1 ZINC000152454264 496156918 /nfs/dbraw/zinc/15/69/18/496156918.db2.gz QBEICWUFLSVNRT-NQIIRXRSSA-N 2 1 360.542 3.453 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000172249732 496228861 /nfs/dbraw/zinc/22/88/61/496228861.db2.gz DJALIOBDZZDHTI-GOSISDBHSA-N 2 1 374.529 3.077 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000177890348 496241759 /nfs/dbraw/zinc/24/17/59/496241759.db2.gz NRMVLSFBDFHKAX-DCXXXQMHSA-N 2 1 357.542 3.011 20 0 FGADMP CN1c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000187125511 496304751 /nfs/dbraw/zinc/30/47/51/496304751.db2.gz QSLAUKASBRLBSY-NQIIRXRSSA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2CCC1=O ZINC000187125511 496304755 /nfs/dbraw/zinc/30/47/55/496304755.db2.gz QSLAUKASBRLBSY-NQIIRXRSSA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2CCC1=O ZINC000187125511 496304758 /nfs/dbraw/zinc/30/47/58/496304758.db2.gz QSLAUKASBRLBSY-NQIIRXRSSA-N 2 1 353.510 3.044 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172507676 496321180 /nfs/dbraw/zinc/32/11/80/496321180.db2.gz VSCFYCMPPKZBJQ-IBGZPJMESA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000156925087 496365963 /nfs/dbraw/zinc/36/59/63/496365963.db2.gz FJGAJVUIVXGDCA-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000156925087 496365965 /nfs/dbraw/zinc/36/59/65/496365965.db2.gz FJGAJVUIVXGDCA-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925087 496365967 /nfs/dbraw/zinc/36/59/67/496365967.db2.gz FJGAJVUIVXGDCA-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925087 496365971 /nfs/dbraw/zinc/36/59/71/496365971.db2.gz FJGAJVUIVXGDCA-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000157095006 496404296 /nfs/dbraw/zinc/40/42/96/496404296.db2.gz AEOPNMVSORCVLG-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000157095825 496404374 /nfs/dbraw/zinc/40/43/74/496404374.db2.gz MLHCXDCPPDEFTC-SFTDATJTSA-N 2 1 360.542 3.302 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000157095825 496404377 /nfs/dbraw/zinc/40/43/77/496404377.db2.gz MLHCXDCPPDEFTC-SFTDATJTSA-N 2 1 360.542 3.302 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184553507 496436648 /nfs/dbraw/zinc/43/66/48/496436648.db2.gz MIKRGFRPUPYCIU-OAQYLSRUSA-N 2 1 374.573 3.315 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000184594757 496455839 /nfs/dbraw/zinc/45/58/39/496455839.db2.gz JLCNHHREKLNNLV-LJQANCHMSA-N 2 1 369.509 3.301 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)C1 ZINC000571932128 505848408 /nfs/dbraw/zinc/84/84/08/505848408.db2.gz ZYBYJXMMXHUHIK-OAQYLSRUSA-N 2 1 369.553 3.442 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1cccs1 ZINC000184743170 496515727 /nfs/dbraw/zinc/51/57/27/496515727.db2.gz NIJSCPFEHDCYJR-IAGOWNOFSA-N 2 1 371.550 3.111 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)Nc1ccccc1 ZINC000184752642 496518344 /nfs/dbraw/zinc/51/83/44/496518344.db2.gz NABIZYQKTRHTBI-QZTJIDSGSA-N 2 1 351.494 3.371 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C1 ZINC000178698183 496545011 /nfs/dbraw/zinc/54/50/11/496545011.db2.gz WGRUKFWSHOLXPJ-GJZGRUSLSA-N 2 1 372.538 3.010 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2CC[NH+](CCC)CC2)CC1 ZINC000157790377 496555834 /nfs/dbraw/zinc/55/58/34/496555834.db2.gz TUCBITAJFRAAHB-UHFFFAOYSA-N 2 1 366.594 3.262 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000153728232 496559998 /nfs/dbraw/zinc/55/99/98/496559998.db2.gz MBOLBAKYYIEVFO-OAHLLOKOSA-N 2 1 364.921 3.453 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000153728232 496560005 /nfs/dbraw/zinc/56/00/05/496560005.db2.gz MBOLBAKYYIEVFO-OAHLLOKOSA-N 2 1 364.921 3.453 20 0 FGADMP CC[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000184923837 496586482 /nfs/dbraw/zinc/58/64/82/496586482.db2.gz LHFFOOAJLACTSV-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1 ZINC000153920230 496624797 /nfs/dbraw/zinc/62/47/97/496624797.db2.gz PSGFNUFNEXUNHM-UHFFFAOYSA-N 2 1 359.518 3.366 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc3oc(C)c(C)c3c(N)n2)CC1 ZINC000153920230 496624800 /nfs/dbraw/zinc/62/48/00/496624800.db2.gz PSGFNUFNEXUNHM-UHFFFAOYSA-N 2 1 359.518 3.366 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000182012562 496634570 /nfs/dbraw/zinc/63/45/70/496634570.db2.gz RJSWWRLNLQFGJW-DNVCBOLYSA-N 2 1 359.901 3.410 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165004077 496643952 /nfs/dbraw/zinc/64/39/52/496643952.db2.gz SRKUPEWZJCQQKZ-JXXFODFXSA-N 2 1 355.482 3.028 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165004077 496643955 /nfs/dbraw/zinc/64/39/55/496643955.db2.gz SRKUPEWZJCQQKZ-JXXFODFXSA-N 2 1 355.482 3.028 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000173412318 496681735 /nfs/dbraw/zinc/68/17/35/496681735.db2.gz WNHPVHXRLBGZPV-RBUKOAKNSA-N 2 1 373.545 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000173412318 496681737 /nfs/dbraw/zinc/68/17/37/496681737.db2.gz WNHPVHXRLBGZPV-RBUKOAKNSA-N 2 1 373.545 3.057 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182254581 496720330 /nfs/dbraw/zinc/72/03/30/496720330.db2.gz HJUXFDIXFOCECR-SFTDATJTSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000179252184 496721153 /nfs/dbraw/zinc/72/11/53/496721153.db2.gz FTLHDMJOXUNGSX-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000179252184 496721156 /nfs/dbraw/zinc/72/11/56/496721156.db2.gz FTLHDMJOXUNGSX-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179252184 496721159 /nfs/dbraw/zinc/72/11/59/496721159.db2.gz FTLHDMJOXUNGSX-KDURUIRLSA-N 2 1 365.521 3.483 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246991877 496745805 /nfs/dbraw/zinc/74/58/05/496745805.db2.gz PHUIPEOOYXREOS-LEWJYISDSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246991877 496745812 /nfs/dbraw/zinc/74/58/12/496745812.db2.gz PHUIPEOOYXREOS-LEWJYISDSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246991877 496745816 /nfs/dbraw/zinc/74/58/16/496745816.db2.gz PHUIPEOOYXREOS-LEWJYISDSA-N 2 1 372.557 3.153 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000247005693 496749560 /nfs/dbraw/zinc/74/95/60/496749560.db2.gz PVCBGWVGGGXNGO-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000247005693 496749561 /nfs/dbraw/zinc/74/95/61/496749561.db2.gz PVCBGWVGGGXNGO-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000247005693 496749562 /nfs/dbraw/zinc/74/95/62/496749562.db2.gz PVCBGWVGGGXNGO-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000273243882 496751546 /nfs/dbraw/zinc/75/15/46/496751546.db2.gz HXSBJDDEEBJTPT-IRXDYDNUSA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000273243882 496751551 /nfs/dbraw/zinc/75/15/51/496751551.db2.gz HXSBJDDEEBJTPT-IRXDYDNUSA-N 2 1 359.514 3.266 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000247033576 496758192 /nfs/dbraw/zinc/75/81/92/496758192.db2.gz MIWFOPPXOARQRW-INMHGKMJSA-N 2 1 366.347 3.348 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268750997 496773721 /nfs/dbraw/zinc/77/37/21/496773721.db2.gz HRNLSBPDPVAETF-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268750997 496773730 /nfs/dbraw/zinc/77/37/30/496773730.db2.gz HRNLSBPDPVAETF-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000247104242 496780054 /nfs/dbraw/zinc/78/00/54/496780054.db2.gz YAGNQGMZCHJAQD-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000247104242 496780058 /nfs/dbraw/zinc/78/00/58/496780058.db2.gz YAGNQGMZCHJAQD-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000247104242 496780063 /nfs/dbraw/zinc/78/00/63/496780063.db2.gz YAGNQGMZCHJAQD-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000247104242 496780070 /nfs/dbraw/zinc/78/00/70/496780070.db2.gz YAGNQGMZCHJAQD-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782180 496783716 /nfs/dbraw/zinc/78/37/16/496783716.db2.gz YJJQVAGCSLMCII-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782180 496783718 /nfs/dbraw/zinc/78/37/18/496783718.db2.gz YJJQVAGCSLMCII-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783144 496784176 /nfs/dbraw/zinc/78/41/76/496784176.db2.gz JGODFSHLRGYXQZ-LAUBAEHRSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783144 496784179 /nfs/dbraw/zinc/78/41/79/496784179.db2.gz JGODFSHLRGYXQZ-LAUBAEHRSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793335 496788624 /nfs/dbraw/zinc/78/86/24/496788624.db2.gz NBNLKHDQMDGJEO-PKOBYXMFSA-N 2 1 369.484 3.198 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793335 496788630 /nfs/dbraw/zinc/78/86/30/496788630.db2.gz NBNLKHDQMDGJEO-PKOBYXMFSA-N 2 1 369.484 3.198 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000268814959 496793034 /nfs/dbraw/zinc/79/30/34/496793034.db2.gz NFRZMRPEXJRZCM-LBPRGKRZSA-N 2 1 354.376 3.217 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156655 496794359 /nfs/dbraw/zinc/79/43/59/496794359.db2.gz TYJXLLRORKNTAO-DLBZAZTESA-N 2 1 352.544 3.253 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000277551866 496809059 /nfs/dbraw/zinc/80/90/59/496809059.db2.gz RBAWAYINHIOOMD-FQEVSTJZSA-N 3 1 358.574 3.133 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000277551866 496809065 /nfs/dbraw/zinc/80/90/65/496809065.db2.gz RBAWAYINHIOOMD-FQEVSTJZSA-N 3 1 358.574 3.133 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000268866652 496809502 /nfs/dbraw/zinc/80/95/02/496809502.db2.gz NZXGLZAVDPTSMU-INIZCTEOSA-N 2 1 353.470 3.186 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247234509 496811781 /nfs/dbraw/zinc/81/17/81/496811781.db2.gz XEJPTVLDWGEVIM-COPCDDAFSA-N 2 1 356.558 3.146 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000247234509 496811790 /nfs/dbraw/zinc/81/17/90/496811790.db2.gz XEJPTVLDWGEVIM-COPCDDAFSA-N 2 1 356.558 3.146 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000268890660 496815237 /nfs/dbraw/zinc/81/52/37/496815237.db2.gz UOAMZQFVVFMOKI-ZDUSSCGKSA-N 2 1 358.877 3.475 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Cc2cn3ccccc3n2)[C@H]1c1cccs1 ZINC000247265504 496819747 /nfs/dbraw/zinc/81/97/47/496819747.db2.gz FGSMFQNBJYDHOF-YWZLYKJASA-N 2 1 368.506 3.138 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268962069 496837150 /nfs/dbraw/zinc/83/71/50/496837150.db2.gz XOKKZMSTAPIUNA-ZPMCFJSWSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247479744 496868072 /nfs/dbraw/zinc/86/80/72/496868072.db2.gz JZUJBTYJGKOAAL-CRAIPNDOSA-N 2 1 351.922 3.151 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247489486 496872059 /nfs/dbraw/zinc/87/20/59/496872059.db2.gz VQVWHIODRBBFLI-QBUWPKIASA-N 2 1 364.578 3.202 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247489486 496872062 /nfs/dbraw/zinc/87/20/62/496872062.db2.gz VQVWHIODRBBFLI-QBUWPKIASA-N 2 1 364.578 3.202 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247489486 496872064 /nfs/dbraw/zinc/87/20/64/496872064.db2.gz VQVWHIODRBBFLI-QBUWPKIASA-N 2 1 364.578 3.202 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247644813 496899086 /nfs/dbraw/zinc/89/90/86/496899086.db2.gz UFONDRQFNPFCHN-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000247644813 496899087 /nfs/dbraw/zinc/89/90/87/496899087.db2.gz UFONDRQFNPFCHN-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000247644813 496899089 /nfs/dbraw/zinc/89/90/89/496899089.db2.gz UFONDRQFNPFCHN-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247705142 496908806 /nfs/dbraw/zinc/90/88/06/496908806.db2.gz YSQGTXQTPRMLCL-PZJWPPBQSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247705142 496908811 /nfs/dbraw/zinc/90/88/11/496908811.db2.gz YSQGTXQTPRMLCL-PZJWPPBQSA-N 2 1 368.521 3.387 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000247974750 496936152 /nfs/dbraw/zinc/93/61/52/496936152.db2.gz HQJJSVLZTSHSCR-LEWJYISDSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1)C(C)C ZINC000247974750 496936156 /nfs/dbraw/zinc/93/61/56/496936156.db2.gz HQJJSVLZTSHSCR-LEWJYISDSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1)C(C)C ZINC000247974750 496936163 /nfs/dbraw/zinc/93/61/63/496936163.db2.gz HQJJSVLZTSHSCR-LEWJYISDSA-N 2 1 357.542 3.473 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000248163808 496967040 /nfs/dbraw/zinc/96/70/40/496967040.db2.gz SPEPYVMIKCFLEO-HLAWJBBLSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000248163808 496967043 /nfs/dbraw/zinc/96/70/43/496967043.db2.gz SPEPYVMIKCFLEO-HLAWJBBLSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000248163808 496967049 /nfs/dbraw/zinc/96/70/49/496967049.db2.gz SPEPYVMIKCFLEO-HLAWJBBLSA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000248163808 496967053 /nfs/dbraw/zinc/96/70/53/496967053.db2.gz SPEPYVMIKCFLEO-HLAWJBBLSA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000248163808 496967059 /nfs/dbraw/zinc/96/70/59/496967059.db2.gz SPEPYVMIKCFLEO-HLAWJBBLSA-N 2 1 373.516 3.123 20 0 FGADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000248176164 496969641 /nfs/dbraw/zinc/96/96/41/496969641.db2.gz VQMAKIFZCDKLPH-XKGZKEIXSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000248176164 496969649 /nfs/dbraw/zinc/96/96/49/496969649.db2.gz VQMAKIFZCDKLPH-XKGZKEIXSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000248176164 496969656 /nfs/dbraw/zinc/96/96/56/496969656.db2.gz VQMAKIFZCDKLPH-XKGZKEIXSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000248176164 496969661 /nfs/dbraw/zinc/96/96/61/496969661.db2.gz VQMAKIFZCDKLPH-XKGZKEIXSA-N 2 1 361.505 3.151 20 0 FGADMP C[C@@H](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000580961148 505877790 /nfs/dbraw/zinc/87/77/90/505877790.db2.gz KWVDCWAKMJAMMI-IBGZPJMESA-N 2 1 367.537 3.431 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000264843318 496995791 /nfs/dbraw/zinc/99/57/91/496995791.db2.gz HFVRUXNSFSGCLZ-OAQYLSRUSA-N 2 1 351.494 3.315 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248403206 496998344 /nfs/dbraw/zinc/99/83/44/496998344.db2.gz XMBCVKQGUFNYNK-OXJNMPFZSA-N 2 1 357.473 3.238 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248403206 496998347 /nfs/dbraw/zinc/99/83/47/496998347.db2.gz XMBCVKQGUFNYNK-OXJNMPFZSA-N 2 1 357.473 3.238 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000189069676 496998647 /nfs/dbraw/zinc/99/86/47/496998647.db2.gz AORSJAHFWLQRGN-SWLSCSKDSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000189069676 496998652 /nfs/dbraw/zinc/99/86/52/496998652.db2.gz AORSJAHFWLQRGN-SWLSCSKDSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069676 496998657 /nfs/dbraw/zinc/99/86/57/496998657.db2.gz AORSJAHFWLQRGN-SWLSCSKDSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069676 496998663 /nfs/dbraw/zinc/99/86/63/496998663.db2.gz AORSJAHFWLQRGN-SWLSCSKDSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248405116 496998968 /nfs/dbraw/zinc/99/89/68/496998968.db2.gz RBAYACPENMSGED-FHWLQOOXSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405116 496998971 /nfs/dbraw/zinc/99/89/71/496998971.db2.gz RBAYACPENMSGED-FHWLQOOXSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248405116 496998974 /nfs/dbraw/zinc/99/89/74/496998974.db2.gz RBAYACPENMSGED-FHWLQOOXSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248410579 497000494 /nfs/dbraw/zinc/00/04/94/497000494.db2.gz YGDWLOUVHKCWEU-BJLQDIEVSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248410579 497000501 /nfs/dbraw/zinc/00/05/01/497000501.db2.gz YGDWLOUVHKCWEU-BJLQDIEVSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410579 497000504 /nfs/dbraw/zinc/00/05/04/497000504.db2.gz YGDWLOUVHKCWEU-BJLQDIEVSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410579 497000512 /nfs/dbraw/zinc/00/05/12/497000512.db2.gz YGDWLOUVHKCWEU-BJLQDIEVSA-N 2 1 369.553 3.202 20 0 FGADMP Cc1ccc(CN2CC[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000189095867 497007092 /nfs/dbraw/zinc/00/70/92/497007092.db2.gz ORKWPFSFCBCTLJ-QFIPXVFZSA-N 2 1 369.553 3.483 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248442762 497012736 /nfs/dbraw/zinc/01/27/36/497012736.db2.gz LBQGOBCCJWYXJT-DXBBTUNJSA-N 2 1 370.537 3.081 20 0 FGADMP COc1cc(Br)ccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248456518 497017363 /nfs/dbraw/zinc/01/73/63/497017363.db2.gz SHYNYUBAQHMQRI-XJKSGUPXSA-N 2 1 353.304 3.374 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H](C)c1nnnn1-c1ccccc1 ZINC000192183078 497026467 /nfs/dbraw/zinc/02/64/67/497026467.db2.gz JCWYRAAMRUHDBT-INIZCTEOSA-N 2 1 359.437 3.007 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248517245 497029770 /nfs/dbraw/zinc/02/97/70/497029770.db2.gz PHAFUTZSPNYINX-RBUKOAKNSA-N 2 1 366.571 3.401 20 0 FGADMP Cc1cncc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000248757094 497100134 /nfs/dbraw/zinc/10/01/34/497100134.db2.gz VFRAUEOGADGYNQ-KNQAVFIVSA-N 2 1 352.526 3.419 20 0 FGADMP Cn1c2ccc(C[NH2+]CCC[N@@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000192461691 497121926 /nfs/dbraw/zinc/12/19/26/497121926.db2.gz HTXNPKAHXRHKBX-UHFFFAOYSA-N 2 1 367.518 3.138 20 0 FGADMP Cn1c2ccc(C[NH2+]CCC[N@H+]3CCc4ccccc4C3)cc2sc1=O ZINC000192461691 497121934 /nfs/dbraw/zinc/12/19/34/497121934.db2.gz HTXNPKAHXRHKBX-UHFFFAOYSA-N 2 1 367.518 3.138 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248886612 497126194 /nfs/dbraw/zinc/12/61/94/497126194.db2.gz QVHXCOAZDLSQSL-FCHUYYIVSA-N 2 1 363.505 3.272 20 0 FGADMP COC(=O)C1CCC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248946119 497139134 /nfs/dbraw/zinc/13/91/34/497139134.db2.gz APEFDMMQEXAVSM-IEMGHUSZSA-N 2 1 358.526 3.464 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236787246 497145944 /nfs/dbraw/zinc/14/59/44/497145944.db2.gz JMTJRVGBANUVMJ-YESZJQIVSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236787246 497145949 /nfs/dbraw/zinc/14/59/49/497145949.db2.gz JMTJRVGBANUVMJ-YESZJQIVSA-N 2 1 355.885 3.102 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278539106 497147543 /nfs/dbraw/zinc/14/75/43/497147543.db2.gz UULSCCHELWNWGY-APWZRJJASA-N 2 1 364.497 3.234 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000265673372 497158695 /nfs/dbraw/zinc/15/86/95/497158695.db2.gz XJQIUNREGNLAOC-OAQYLSRUSA-N 2 1 369.484 3.454 20 0 FGADMP CC[C@@]1(CO)CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@]2(CC)CO)c1 ZINC000189619047 497184018 /nfs/dbraw/zinc/18/40/18/497184018.db2.gz VFTGRCGODLQNHV-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP O[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282557 497186910 /nfs/dbraw/zinc/18/69/10/497186910.db2.gz LCDLHQPWJKXRMX-FGTMMUONSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282557 497186915 /nfs/dbraw/zinc/18/69/15/497186915.db2.gz LCDLHQPWJKXRMX-FGTMMUONSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282557 497186918 /nfs/dbraw/zinc/18/69/18/497186918.db2.gz LCDLHQPWJKXRMX-FGTMMUONSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282557 497186922 /nfs/dbraw/zinc/18/69/22/497186922.db2.gz LCDLHQPWJKXRMX-FGTMMUONSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282557 497186925 /nfs/dbraw/zinc/18/69/25/497186925.db2.gz LCDLHQPWJKXRMX-FGTMMUONSA-N 2 1 356.432 3.286 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237085281 497189774 /nfs/dbraw/zinc/18/97/74/497189774.db2.gz BPZGWIWCZUQAHB-ZBFHGGJFSA-N 2 1 371.447 3.189 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935613 497201880 /nfs/dbraw/zinc/20/18/80/497201880.db2.gz RWHOBDMSBZTCOJ-WDSOQIARSA-N 2 1 369.475 3.371 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754428 497204401 /nfs/dbraw/zinc/20/44/01/497204401.db2.gz SAJPEXBBCWGWOP-OALUTQOASA-N 2 1 365.587 3.052 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237412070 497233330 /nfs/dbraw/zinc/23/33/30/497233330.db2.gz VANCCOSGKCMRJN-GHTZIAJQSA-N 2 1 351.494 3.057 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278899323 497260239 /nfs/dbraw/zinc/26/02/39/497260239.db2.gz PCFAEUUJJIYMMD-FQEVSTJZSA-N 2 1 369.509 3.147 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000250652486 497269030 /nfs/dbraw/zinc/26/90/30/497269030.db2.gz RFTPKPBETZRLOU-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000237670840 497273691 /nfs/dbraw/zinc/27/36/91/497273691.db2.gz PCDUEIIRNYCWFG-KRWDZBQOSA-N 2 1 370.324 3.216 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000251500805 497274293 /nfs/dbraw/zinc/27/42/93/497274293.db2.gz WEHOWYIRNVFVBS-QUCCMNQESA-N 2 1 360.546 3.161 20 0 FGADMP C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933441 497297924 /nfs/dbraw/zinc/29/79/24/497297924.db2.gz MRXJVAJNMIQLLX-QWHCGFSZSA-N 2 1 358.395 3.443 20 0 FGADMP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237858209 497303768 /nfs/dbraw/zinc/30/37/68/497303768.db2.gz JMYVXIDRLQATOM-QFBILLFUSA-N 2 1 357.523 3.166 20 0 FGADMP [NH3+][C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000237875432 497306359 /nfs/dbraw/zinc/30/63/59/497306359.db2.gz JJFXVCRDGJJLJN-GOSISDBHSA-N 2 1 355.507 3.264 20 0 FGADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ncc(C(C)(C)C)s2)cc1 ZINC000279025300 497307918 /nfs/dbraw/zinc/30/79/18/497307918.db2.gz ATBULMZERFUAAN-UHFFFAOYSA-N 2 1 374.554 3.022 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000252538036 497310911 /nfs/dbraw/zinc/31/09/11/497310911.db2.gz BXVOPBWGJKNYBH-WOJBJXKFSA-N 2 1 366.594 3.116 20 0 FGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc2n1CCCCC2 ZINC000271351608 497326803 /nfs/dbraw/zinc/32/68/03/497326803.db2.gz OOGTYCIATQVMSE-UHFFFAOYSA-N 2 1 368.529 3.138 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc2n1CCCCC2 ZINC000271351608 497326808 /nfs/dbraw/zinc/32/68/08/497326808.db2.gz OOGTYCIATQVMSE-UHFFFAOYSA-N 2 1 368.529 3.138 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193294385 497342336 /nfs/dbraw/zinc/34/23/36/497342336.db2.gz KUXDWOJAVBJZHD-WIYYLYMNSA-N 2 1 360.542 3.281 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000279142899 497347805 /nfs/dbraw/zinc/34/78/05/497347805.db2.gz SAXFQLWGSBNCLB-NJDAHSKKSA-N 2 1 364.493 3.040 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000271558948 497383560 /nfs/dbraw/zinc/38/35/60/497383560.db2.gz WMRGAIJNTJMUDN-NRSPTQNISA-N 2 1 350.510 3.303 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000271558948 497383565 /nfs/dbraw/zinc/38/35/65/497383565.db2.gz WMRGAIJNTJMUDN-NRSPTQNISA-N 2 1 350.510 3.303 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@@H+]1C ZINC000279261521 497386002 /nfs/dbraw/zinc/38/60/02/497386002.db2.gz UBXVEFVDULAINA-WMZOPIPTSA-N 2 1 363.933 3.105 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000279261521 497386007 /nfs/dbraw/zinc/38/60/07/497386007.db2.gz UBXVEFVDULAINA-WMZOPIPTSA-N 2 1 363.933 3.105 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC000279261521 497386012 /nfs/dbraw/zinc/38/60/12/497386012.db2.gz UBXVEFVDULAINA-WMZOPIPTSA-N 2 1 363.933 3.105 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC000279261521 497386017 /nfs/dbraw/zinc/38/60/17/497386017.db2.gz UBXVEFVDULAINA-WMZOPIPTSA-N 2 1 363.933 3.105 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000275646526 497392529 /nfs/dbraw/zinc/39/25/29/497392529.db2.gz MHGTXUZZBYGQFL-UHFFFAOYSA-N 2 1 372.538 3.032 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000275646526 497392532 /nfs/dbraw/zinc/39/25/32/497392532.db2.gz MHGTXUZZBYGQFL-UHFFFAOYSA-N 2 1 372.538 3.032 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266742617 497410508 /nfs/dbraw/zinc/41/05/08/497410508.db2.gz ONQNOFFBCDVXNI-LJQANCHMSA-N 2 1 373.541 3.207 20 0 FGADMP C[C@H](CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000261575358 497415724 /nfs/dbraw/zinc/41/57/24/497415724.db2.gz BNELUSGHNHJGRL-RMVXJAJNSA-N 2 1 357.542 3.039 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000245464373 497420207 /nfs/dbraw/zinc/42/02/07/497420207.db2.gz XXYYVRBEPAXPOB-ZIAGYGMSSA-N 2 1 357.420 3.306 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C[NH3+] ZINC000575021401 505906216 /nfs/dbraw/zinc/90/62/16/505906216.db2.gz CHXODYVNGLCXMF-SJORKVTESA-N 2 1 353.514 3.477 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000572170478 505906778 /nfs/dbraw/zinc/90/67/78/505906778.db2.gz SMLXDJSNYJPEFH-RBUKOAKNSA-N 2 1 359.539 3.378 20 0 FGADMP CC[N@@H+](CC1CC[NH2+]CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000261755006 497446193 /nfs/dbraw/zinc/44/61/93/497446193.db2.gz NRMDIUXBIWBPGV-UHFFFAOYSA-N 2 1 359.562 3.199 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583889 497465328 /nfs/dbraw/zinc/46/53/28/497465328.db2.gz ACPQZBWEHKAFJB-AEFFLSMTSA-N 2 1 364.534 3.015 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193868737 497506752 /nfs/dbraw/zinc/50/67/52/497506752.db2.gz CJNQZGWGBGQZGV-MRXNPFEDSA-N 2 1 352.567 3.059 20 0 FGADMP CN(C)C(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000245750741 497527701 /nfs/dbraw/zinc/52/77/01/497527701.db2.gz TZFNQVFFTZZDIZ-WKCHPHFGSA-N 2 1 369.553 3.420 20 0 FGADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758557 497532347 /nfs/dbraw/zinc/53/23/47/497532347.db2.gz REBAGUYSHMBMAO-LJQANCHMSA-N 2 1 361.530 3.347 20 0 FGADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758557 497532354 /nfs/dbraw/zinc/53/23/54/497532354.db2.gz REBAGUYSHMBMAO-LJQANCHMSA-N 2 1 361.530 3.347 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758557 497532357 /nfs/dbraw/zinc/53/23/57/497532357.db2.gz REBAGUYSHMBMAO-LJQANCHMSA-N 2 1 361.530 3.347 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758557 497532365 /nfs/dbraw/zinc/53/23/65/497532365.db2.gz REBAGUYSHMBMAO-LJQANCHMSA-N 2 1 361.530 3.347 20 0 FGADMP CC[N@H+](Cc1nccc(OC)c1OC)CC1CCN(c2ccccn2)CC1 ZINC000190612875 497545667 /nfs/dbraw/zinc/54/56/67/497545667.db2.gz ZDALXVQZYOZNLD-UHFFFAOYSA-N 2 1 370.497 3.232 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)oc1C ZINC000194037546 497554828 /nfs/dbraw/zinc/55/48/28/497554828.db2.gz ORQHVDXJUVZNEF-MISYRCLQSA-N 2 1 359.514 3.051 20 0 FGADMP Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000578323882 505914662 /nfs/dbraw/zinc/91/46/62/505914662.db2.gz AFJKLPKULIPYAR-OAQYLSRUSA-N 2 1 352.526 3.471 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223086 497568682 /nfs/dbraw/zinc/56/86/82/497568682.db2.gz AJHHZQPOIQGWAD-RBDMOPTHSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000245917559 497571047 /nfs/dbraw/zinc/57/10/47/497571047.db2.gz NJCICFYZVHHBFJ-OTWHNJEPSA-N 2 1 366.594 3.116 20 0 FGADMP CCC[NH+]1CC[C@@H](CNc2nc(NC[C@H]3CC[N@H+](CCC)C3)ncc2C)C1 ZINC000245965293 497585246 /nfs/dbraw/zinc/58/52/46/497585246.db2.gz DWNBXZCUAINQMH-RBUKOAKNSA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@H](CNc2ncc(C)c(NC[C@@H]3CC[N@H+](CCC)C3)n2)C1 ZINC000245965293 497585252 /nfs/dbraw/zinc/58/52/52/497585252.db2.gz DWNBXZCUAINQMH-RBUKOAKNSA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@H](CNc2ncc(C)c(NC[C@@H]3CC[N@@H+](CCC)C3)n2)C1 ZINC000245965293 497585257 /nfs/dbraw/zinc/58/52/57/497585257.db2.gz DWNBXZCUAINQMH-RBUKOAKNSA-N 2 1 374.577 3.073 20 0 FGADMP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300475 497590194 /nfs/dbraw/zinc/59/01/94/497590194.db2.gz PRNBJGDBXCQMQH-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739055 497640636 /nfs/dbraw/zinc/64/06/36/497640636.db2.gz AAAGLIDITWXLNE-UTKZUKDTSA-N 2 1 364.493 3.271 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739055 497640642 /nfs/dbraw/zinc/64/06/42/497640642.db2.gz AAAGLIDITWXLNE-UTKZUKDTSA-N 2 1 364.493 3.271 20 0 FGADMP C[C@H]([NH2+]CCNC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529245 497652625 /nfs/dbraw/zinc/65/26/25/497652625.db2.gz AIIJNQRUSDOVKH-PKOBYXMFSA-N 2 1 369.484 3.056 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000246205950 497660078 /nfs/dbraw/zinc/66/00/78/497660078.db2.gz NHEGHOUCFCYYOD-KSZLIROESA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246274763 497680938 /nfs/dbraw/zinc/68/09/38/497680938.db2.gz MBAHSFQCLCPHHY-ZCLUNYJNSA-N 2 1 351.494 3.102 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263028834 497685281 /nfs/dbraw/zinc/68/52/81/497685281.db2.gz RQAWLWHKETUSTM-VQFZFJAISA-N 2 1 355.526 3.206 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)CC2)CC1 ZINC000191066589 497698484 /nfs/dbraw/zinc/69/84/84/497698484.db2.gz OUMIREYGSBHZBR-PZJWPPBQSA-N 2 1 361.574 3.245 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272695300 497704679 /nfs/dbraw/zinc/70/46/79/497704679.db2.gz XPXJXPKWYYMKLA-PKOBYXMFSA-N 2 1 359.514 3.108 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000246360418 497707284 /nfs/dbraw/zinc/70/72/84/497707284.db2.gz PUABNNMMRCUNLF-AQNXPRMDSA-N 2 1 366.594 3.118 20 0 FGADMP CN(c1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000246367195 497709722 /nfs/dbraw/zinc/70/97/22/497709722.db2.gz GOJDWNWFYWSRNT-TZIWHRDSSA-N 3 1 358.574 3.179 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246410040 497724543 /nfs/dbraw/zinc/72/45/43/497724543.db2.gz KWJIUITUUAEXLQ-HJNYFJLDSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410040 497724544 /nfs/dbraw/zinc/72/45/44/497724544.db2.gz KWJIUITUUAEXLQ-HJNYFJLDSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246410040 497724545 /nfs/dbraw/zinc/72/45/45/497724545.db2.gz KWJIUITUUAEXLQ-HJNYFJLDSA-N 2 1 367.537 3.126 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000263258961 497743969 /nfs/dbraw/zinc/74/39/69/497743969.db2.gz LUHCOIYBMZMBER-HUUJSLGLSA-N 2 1 357.542 3.436 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000246503781 497756139 /nfs/dbraw/zinc/75/61/39/497756139.db2.gz HVYOQAROHXLSPY-FXAWDEMLSA-N 2 1 361.530 3.069 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246577851 497780123 /nfs/dbraw/zinc/78/01/23/497780123.db2.gz ZRSZVQWHNMKOMF-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246577851 497780126 /nfs/dbraw/zinc/78/01/26/497780126.db2.gz ZRSZVQWHNMKOMF-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246577851 497780132 /nfs/dbraw/zinc/78/01/32/497780132.db2.gz ZRSZVQWHNMKOMF-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000263770860 497814551 /nfs/dbraw/zinc/81/45/51/497814551.db2.gz SUIAUQUETQQQTO-QRVBRYPASA-N 2 1 373.541 3.143 20 0 FGADMP Cc1cscc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364176533 497825638 /nfs/dbraw/zinc/82/56/38/497825638.db2.gz KZYPYCHURONYKD-UHFFFAOYSA-N 2 1 363.571 3.325 20 0 FGADMP O[C@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267608 497870704 /nfs/dbraw/zinc/87/07/04/497870704.db2.gz JFYMGIHJQNXRBX-KRWDZBQOSA-N 2 1 356.432 3.288 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364537164 498010102 /nfs/dbraw/zinc/01/01/02/498010102.db2.gz ODRHPKWTHVWJLU-ICSRJNTNSA-N 2 1 366.571 3.092 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364537164 498010110 /nfs/dbraw/zinc/01/01/10/498010110.db2.gz ODRHPKWTHVWJLU-ICSRJNTNSA-N 2 1 366.571 3.092 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000330142561 498037747 /nfs/dbraw/zinc/03/77/47/498037747.db2.gz QRIJKZSOPIKWSA-GNBUJSLZSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc[nH+]1 ZINC000330142561 498037757 /nfs/dbraw/zinc/03/77/57/498037757.db2.gz QRIJKZSOPIKWSA-GNBUJSLZSA-N 2 1 373.545 3.013 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581362808 505970752 /nfs/dbraw/zinc/97/07/52/505970752.db2.gz IIDNPBPUOOJAHD-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581362808 505970755 /nfs/dbraw/zinc/97/07/55/505970755.db2.gz IIDNPBPUOOJAHD-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581362808 505970756 /nfs/dbraw/zinc/97/07/56/505970756.db2.gz IIDNPBPUOOJAHD-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCN(C(=O)Nc1ccn2ccnc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569653805 505984685 /nfs/dbraw/zinc/98/46/85/505984685.db2.gz TYZVSVFATHSEMZ-LJQANCHMSA-N 2 1 363.465 3.463 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000285592885 498139666 /nfs/dbraw/zinc/13/96/66/498139666.db2.gz WAYHQXYALQIAOB-UHFFFAOYSA-N 2 1 371.525 3.102 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000578633406 505985300 /nfs/dbraw/zinc/98/53/00/505985300.db2.gz NNAZXJNZIQFUCU-FQEVSTJZSA-N 2 1 366.509 3.056 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000572526048 505989445 /nfs/dbraw/zinc/98/94/45/505989445.db2.gz YHKJPKXOJYWVJL-ZWKOTPCHSA-N 2 1 365.468 3.266 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000572526048 505989449 /nfs/dbraw/zinc/98/94/49/505989449.db2.gz YHKJPKXOJYWVJL-ZWKOTPCHSA-N 2 1 365.468 3.266 20 0 FGADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000289551194 498189865 /nfs/dbraw/zinc/18/98/65/498189865.db2.gz KHGYHORCCHCXCY-LJQANCHMSA-N 2 1 368.525 3.108 20 0 FGADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000289551194 498189872 /nfs/dbraw/zinc/18/98/72/498189872.db2.gz KHGYHORCCHCXCY-LJQANCHMSA-N 2 1 368.525 3.108 20 0 FGADMP CCN(CC(=O)NC[C@@H](c1ccco1)[NH+](C)C)Cc1ccccc1Cl ZINC000578674472 505994392 /nfs/dbraw/zinc/99/43/92/505994392.db2.gz PICNBELTPMTVGC-KRWDZBQOSA-N 2 1 363.889 3.174 20 0 FGADMP Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cnn1C(C)(C)C ZINC000364919244 498208875 /nfs/dbraw/zinc/20/88/75/498208875.db2.gz VAOTUVWZGYBZDG-YNVMFWSZSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cnn1C(C)(C)C ZINC000364919244 498208881 /nfs/dbraw/zinc/20/88/81/498208881.db2.gz VAOTUVWZGYBZDG-YNVMFWSZSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cnn1C(C)(C)C ZINC000364919244 498208887 /nfs/dbraw/zinc/20/88/87/498208887.db2.gz VAOTUVWZGYBZDG-YNVMFWSZSA-N 2 1 362.562 3.487 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927844 498214369 /nfs/dbraw/zinc/21/43/69/498214369.db2.gz CPJHCUNSNJGAHV-KCSJKLDESA-N 2 1 369.553 3.025 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000569724243 506001585 /nfs/dbraw/zinc/00/15/85/506001585.db2.gz RPCWZGBWUIDOLD-UHFFFAOYSA-N 2 1 368.312 3.396 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000575777144 506002627 /nfs/dbraw/zinc/00/26/27/506002627.db2.gz NOBIQTUSAVRAKL-SXLOBPIMSA-N 2 1 369.509 3.490 20 0 FGADMP CCc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c2ccccc2[nH+]1 ZINC000301767808 498256416 /nfs/dbraw/zinc/25/64/16/498256416.db2.gz BYDRXFMJJRNAEB-HXUWFJFHSA-N 2 1 357.523 3.417 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000575803053 506008534 /nfs/dbraw/zinc/00/85/34/506008534.db2.gz ATPFVVFNCJADCX-UHOFOFEASA-N 2 1 355.404 3.093 20 0 FGADMP CC[C@@H](C)[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360465201 498277767 /nfs/dbraw/zinc/27/77/67/498277767.db2.gz DUTNKECNBNFHJD-MSOLQXFVSA-N 2 1 351.579 3.323 20 0 FGADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578745251 506011326 /nfs/dbraw/zinc/01/13/26/506011326.db2.gz LSRGCDKXTLJGSH-SWLSCSKDSA-N 2 1 370.324 3.072 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1)c1ccc(=O)[nH]n1 ZINC000286167719 498312526 /nfs/dbraw/zinc/31/25/26/498312526.db2.gz QFOLWXGCPJDEFT-MRXNPFEDSA-N 2 1 354.498 3.385 20 0 FGADMP CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000581554739 506014402 /nfs/dbraw/zinc/01/44/02/506014402.db2.gz WKRDPDZNKKMEIX-NRFANRHFSA-N 2 1 353.510 3.275 20 0 FGADMP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233695 498364345 /nfs/dbraw/zinc/36/43/45/498364345.db2.gz KHSFPTCREVTUPC-PMACEKPBSA-N 2 1 356.510 3.459 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233695 498364353 /nfs/dbraw/zinc/36/43/53/498364353.db2.gz KHSFPTCREVTUPC-PMACEKPBSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233695 498364357 /nfs/dbraw/zinc/36/43/57/498364357.db2.gz KHSFPTCREVTUPC-PMACEKPBSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233695 498364361 /nfs/dbraw/zinc/36/43/61/498364361.db2.gz KHSFPTCREVTUPC-PMACEKPBSA-N 2 1 356.510 3.459 20 0 FGADMP O=C1O[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CCC2 ZINC000293408977 498374953 /nfs/dbraw/zinc/37/49/53/498374953.db2.gz RWTQVMTZXZETHW-HXUWFJFHSA-N 2 1 368.521 3.460 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000297253545 498378299 /nfs/dbraw/zinc/37/82/99/498378299.db2.gz VNEDOEZLEDJDBC-WOJBJXKFSA-N 2 1 357.542 3.140 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)c1 ZINC000361368336 498381521 /nfs/dbraw/zinc/38/15/21/498381521.db2.gz UFWAYZPEAKWTFN-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)c1 ZINC000361368336 498381529 /nfs/dbraw/zinc/38/15/29/498381529.db2.gz UFWAYZPEAKWTFN-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP O=C1O[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278947 498384783 /nfs/dbraw/zinc/38/47/83/498384783.db2.gz XGFZHDNWOMXGPE-FQEVSTJZSA-N 2 1 368.521 3.460 20 0 FGADMP COCc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000297322243 498404745 /nfs/dbraw/zinc/40/47/45/498404745.db2.gz CTPZATYCHWDVIU-UHFFFAOYSA-N 2 1 355.482 3.309 20 0 FGADMP COCc1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)no1 ZINC000297322243 498404752 /nfs/dbraw/zinc/40/47/52/498404752.db2.gz CTPZATYCHWDVIU-UHFFFAOYSA-N 2 1 355.482 3.309 20 0 FGADMP Cc1sccc1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000293544262 498409177 /nfs/dbraw/zinc/40/91/77/498409177.db2.gz KNFHKGFHLHNVTF-UHFFFAOYSA-N 2 1 373.522 3.007 20 0 FGADMP CCN(CC)[C@@H](CNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C)c1ccco1 ZINC000297355234 498417365 /nfs/dbraw/zinc/41/73/65/498417365.db2.gz UYESENYMTSDAQR-RDJZCZTQSA-N 2 1 373.501 3.189 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000361730793 498422610 /nfs/dbraw/zinc/42/26/10/498422610.db2.gz ZFNAUFODZREQME-AUUYWEPGSA-N 2 1 366.440 3.067 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445095 498471552 /nfs/dbraw/zinc/47/15/52/498471552.db2.gz VAGADMGFPHONEQ-UFYCRDLUSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445095 498471556 /nfs/dbraw/zinc/47/15/56/498471556.db2.gz VAGADMGFPHONEQ-UFYCRDLUSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445095 498471560 /nfs/dbraw/zinc/47/15/60/498471560.db2.gz VAGADMGFPHONEQ-UFYCRDLUSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445095 498471562 /nfs/dbraw/zinc/47/15/62/498471562.db2.gz VAGADMGFPHONEQ-UFYCRDLUSA-N 2 1 354.494 3.069 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793190 498491142 /nfs/dbraw/zinc/49/11/42/498491142.db2.gz UNGPLUMHQOZCCR-DBXWQHBBSA-N 2 1 364.505 3.384 20 0 FGADMP c1ccc2c(c1)CCN(c1ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn1)C2 ZINC000297585841 498502065 /nfs/dbraw/zinc/50/20/65/498502065.db2.gz IVMCBKUSEBMBFD-UHFFFAOYSA-N 2 1 362.521 3.361 20 0 FGADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000569921665 506048223 /nfs/dbraw/zinc/04/82/23/506048223.db2.gz AYAQMDBOFAFWSP-OALUTQOASA-N 2 1 354.498 3.265 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000282482412 498529615 /nfs/dbraw/zinc/52/96/15/498529615.db2.gz WXQXDOXALVWMPG-JKSUJKDBSA-N 2 1 360.571 3.404 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000282512459 498541019 /nfs/dbraw/zinc/54/10/19/498541019.db2.gz ZDBFKAMUGJQSAP-LBPRGKRZSA-N 2 1 359.345 3.252 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CC(c4ccccc4)C3)CC2)CC1 ZINC000581734208 506056505 /nfs/dbraw/zinc/05/65/05/506056505.db2.gz DTLZOHXPWREBLU-UHFFFAOYSA-N 2 1 369.553 3.245 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2c[nH]c3nccnc23)cc1F ZINC000365649572 498577614 /nfs/dbraw/zinc/57/76/14/498577614.db2.gz KDJJEIISNCSUNT-GFCCVEGCSA-N 2 1 350.401 3.394 20 0 FGADMP C[N@@H+]1CC[C@H](Nc2cc(NCC3CC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302816759 498586156 /nfs/dbraw/zinc/58/61/56/498586156.db2.gz ILMVOCMWIVBGGQ-QFBILLFUSA-N 2 1 359.424 3.434 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282673173 498605853 /nfs/dbraw/zinc/60/58/53/498605853.db2.gz JFWXOFMRVFFVBS-SFTDATJTSA-N 2 1 358.526 3.082 20 0 FGADMP C[N@@H+](CCCNC(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCCCC1 ZINC000302969968 498634762 /nfs/dbraw/zinc/63/47/62/498634762.db2.gz SCFLAMUCDAIECG-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000363077956 498638400 /nfs/dbraw/zinc/63/84/00/498638400.db2.gz DLWJATONIXDJGT-FQEVSTJZSA-N 2 1 372.557 3.269 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012729 498638729 /nfs/dbraw/zinc/63/87/29/498638729.db2.gz PBLURLWLWWIFJR-HAGHYFMRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012729 498638737 /nfs/dbraw/zinc/63/87/37/498638737.db2.gz PBLURLWLWWIFJR-HAGHYFMRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012729 498638746 /nfs/dbraw/zinc/63/87/46/498638746.db2.gz PBLURLWLWWIFJR-HAGHYFMRSA-N 2 1 366.594 3.164 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000581829507 506069686 /nfs/dbraw/zinc/06/96/86/506069686.db2.gz WABCJWQBFBPJFA-QFIPXVFZSA-N 2 1 363.505 3.117 20 0 FGADMP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365835254 498661765 /nfs/dbraw/zinc/66/17/65/498661765.db2.gz DEBMHHSOPCVZAY-OLZOCXBDSA-N 2 1 354.853 3.241 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000570021948 506071130 /nfs/dbraw/zinc/07/11/30/506071130.db2.gz ZJWYJARMFIPEBL-INIZCTEOSA-N 2 1 357.502 3.034 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000576043167 506062200 /nfs/dbraw/zinc/06/22/00/506062200.db2.gz DWTHYWGFKVJLFZ-WLRLJWMZSA-N 2 1 357.542 3.311 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000363170158 498683787 /nfs/dbraw/zinc/68/37/87/498683787.db2.gz DDFLRHGCYPQEOH-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363170158 498683793 /nfs/dbraw/zinc/68/37/93/498683793.db2.gz DDFLRHGCYPQEOH-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363170158 498683797 /nfs/dbraw/zinc/68/37/97/498683797.db2.gz DDFLRHGCYPQEOH-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1CCC[C@@H](NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000363172062 498684793 /nfs/dbraw/zinc/68/47/93/498684793.db2.gz HIILTHGJNSLGGU-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303602990 498697405 /nfs/dbraw/zinc/69/74/05/498697405.db2.gz ARJADULCPNSWAP-OAQYLSRUSA-N 2 1 360.461 3.500 20 0 FGADMP CN(Cc1ccc(-n2ccnc2)cc1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000303602990 498697408 /nfs/dbraw/zinc/69/74/08/498697408.db2.gz ARJADULCPNSWAP-OAQYLSRUSA-N 2 1 360.461 3.500 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000294469374 498701659 /nfs/dbraw/zinc/70/16/59/498701659.db2.gz GSODKTDMOAOPID-GDBMZVCRSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000294469374 498701667 /nfs/dbraw/zinc/70/16/67/498701667.db2.gz GSODKTDMOAOPID-GDBMZVCRSA-N 2 1 370.335 3.071 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365959671 498713148 /nfs/dbraw/zinc/71/31/48/498713148.db2.gz BKAUCUVRFRCVCG-QGZVFWFLSA-N 2 1 356.470 3.120 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OCc1ccncc1 ZINC000298282521 498720397 /nfs/dbraw/zinc/72/03/97/498720397.db2.gz GWOJCXKZDPWYMQ-MRXNPFEDSA-N 2 1 366.465 3.296 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)ccc1OCc1ccncc1 ZINC000298282505 498720492 /nfs/dbraw/zinc/72/04/92/498720492.db2.gz GWOJCXKZDPWYMQ-INIZCTEOSA-N 2 1 366.465 3.296 20 0 FGADMP CCc1nc(C[NH+]2CCC(CNC(=[NH2+])N3CCC(C)CC3)CC2)cs1 ZINC000304061979 498733090 /nfs/dbraw/zinc/73/30/90/498733090.db2.gz QABQUSFEWMKKHX-UHFFFAOYSA-N 2 1 363.575 3.174 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000294572440 498735350 /nfs/dbraw/zinc/73/53/50/498735350.db2.gz XJWPQMGYSOXLJG-UHFFFAOYSA-N 2 1 363.465 3.039 20 0 FGADMP COC(=O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1F ZINC000311600203 498751558 /nfs/dbraw/zinc/75/15/58/498751558.db2.gz GNWIWPCEZQLVNF-YWZLYKJASA-N 2 1 356.441 3.365 20 0 FGADMP COC(=O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1F ZINC000311600200 498753137 /nfs/dbraw/zinc/75/31/37/498753137.db2.gz GNWIWPCEZQLVNF-FOIQADDNSA-N 2 1 356.441 3.365 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312120547 498757887 /nfs/dbraw/zinc/75/78/87/498757887.db2.gz UXAIEPAVBVJKGD-MMKMLUHNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312120547 498757895 /nfs/dbraw/zinc/75/78/95/498757895.db2.gz UXAIEPAVBVJKGD-MMKMLUHNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312120547 498757898 /nfs/dbraw/zinc/75/78/98/498757898.db2.gz UXAIEPAVBVJKGD-MMKMLUHNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312120547 498757907 /nfs/dbraw/zinc/75/79/07/498757907.db2.gz UXAIEPAVBVJKGD-MMKMLUHNSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000287462343 498765124 /nfs/dbraw/zinc/76/51/24/498765124.db2.gz IVVXTPHPLRUOTQ-INIZCTEOSA-N 2 1 368.481 3.241 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Nc1cccc(F)c1 ZINC000312989801 498765983 /nfs/dbraw/zinc/76/59/83/498765983.db2.gz MCOYKYCCZPMZRD-JRGCBEDISA-N 2 1 367.468 3.264 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Nc1cccc(F)c1 ZINC000312989801 498765984 /nfs/dbraw/zinc/76/59/84/498765984.db2.gz MCOYKYCCZPMZRD-JRGCBEDISA-N 2 1 367.468 3.264 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC ZINC000314387559 498775182 /nfs/dbraw/zinc/77/51/82/498775182.db2.gz RRKLCAFHZPTTJA-LBPRGKRZSA-N 2 1 359.308 3.144 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000314979428 498783108 /nfs/dbraw/zinc/78/31/08/498783108.db2.gz XKFNZXKKEKSWNZ-CYBMUJFWSA-N 2 1 369.303 3.040 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000314979428 498783113 /nfs/dbraw/zinc/78/31/13/498783113.db2.gz XKFNZXKKEKSWNZ-CYBMUJFWSA-N 2 1 369.303 3.040 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298545253 498807465 /nfs/dbraw/zinc/80/74/65/498807465.db2.gz UBSUEKGQFQUJKN-KRWDZBQOSA-N 2 1 370.541 3.220 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000579125619 506099417 /nfs/dbraw/zinc/09/94/17/506099417.db2.gz OFZWSSOAAUJYQV-GOSISDBHSA-N 2 1 371.569 3.469 20 0 FGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000287828733 498876768 /nfs/dbraw/zinc/87/67/68/498876768.db2.gz PZNNHBWAPPBYOT-LJQANCHMSA-N 2 1 361.530 3.205 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000287828733 498876778 /nfs/dbraw/zinc/87/67/78/498876778.db2.gz PZNNHBWAPPBYOT-LJQANCHMSA-N 2 1 361.530 3.205 20 0 FGADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000287828733 498876763 /nfs/dbraw/zinc/87/67/63/498876763.db2.gz PZNNHBWAPPBYOT-LJQANCHMSA-N 2 1 361.530 3.205 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000287828733 498876773 /nfs/dbraw/zinc/87/67/73/498876773.db2.gz PZNNHBWAPPBYOT-LJQANCHMSA-N 2 1 361.530 3.205 20 0 FGADMP CC(C)c1nccc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000363606852 498902481 /nfs/dbraw/zinc/90/24/81/498902481.db2.gz RSEONZUPWPPGKJ-UHFFFAOYSA-N 2 1 359.562 3.233 20 0 FGADMP C[C@@H]([NH+](C)Cc1cc(C[N@H+](C)[C@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091960 498906423 /nfs/dbraw/zinc/90/64/23/498906423.db2.gz FJTFAYAOTWRWNN-HUUCEWRRSA-N 2 1 354.510 3.008 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000570207693 506115250 /nfs/dbraw/zinc/11/52/50/506115250.db2.gz MHZYKLQDKFUBQX-QMMLZNLJSA-N 2 1 365.521 3.492 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000570207565 506115271 /nfs/dbraw/zinc/11/52/71/506115271.db2.gz MHZYKLQDKFUBQX-JRGCBEDISA-N 2 1 365.521 3.492 20 0 FGADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113051 506121712 /nfs/dbraw/zinc/12/17/12/506121712.db2.gz QINITECXYKOWJB-SFTDATJTSA-N 2 1 360.542 3.176 20 0 FGADMP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000291650505 499023569 /nfs/dbraw/zinc/02/35/69/499023569.db2.gz KPHSUOOVWZZZKW-HXUWFJFHSA-N 2 1 357.542 3.135 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877672 499036146 /nfs/dbraw/zinc/03/61/46/499036146.db2.gz DUMFWMDSNIMMMH-RTBURBONSA-N 2 1 371.573 3.448 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877672 499036152 /nfs/dbraw/zinc/03/61/52/499036152.db2.gz DUMFWMDSNIMMMH-RTBURBONSA-N 2 1 371.573 3.448 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877665 499036477 /nfs/dbraw/zinc/03/64/77/499036477.db2.gz DUMFWMDSNIMMMH-MOPGFXCFSA-N 2 1 371.573 3.448 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877665 499036480 /nfs/dbraw/zinc/03/64/80/499036480.db2.gz DUMFWMDSNIMMMH-MOPGFXCFSA-N 2 1 371.573 3.448 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4c(O)cccc43)CC2)nc(C)[nH+]1 ZINC000284256377 499077118 /nfs/dbraw/zinc/07/71/18/499077118.db2.gz VZHGAGFYKBHLTC-LJQANCHMSA-N 2 1 352.482 3.435 20 0 FGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000367027593 499136216 /nfs/dbraw/zinc/13/62/16/499136216.db2.gz GGJOUXVTUNTGMU-IFMALSPDSA-N 2 1 359.558 3.030 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000367111299 499150644 /nfs/dbraw/zinc/15/06/44/499150644.db2.gz VUPLYCDEKCGDOC-KRWDZBQOSA-N 2 1 372.944 3.348 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000369953089 499156663 /nfs/dbraw/zinc/15/66/63/499156663.db2.gz WHNSREPXBBGGFW-GOSISDBHSA-N 2 1 372.944 3.490 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000369953089 499156664 /nfs/dbraw/zinc/15/66/64/499156664.db2.gz WHNSREPXBBGGFW-GOSISDBHSA-N 2 1 372.944 3.490 20 0 FGADMP CN1CCC2(CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)C1=O ZINC000370086162 499177959 /nfs/dbraw/zinc/17/79/59/499177959.db2.gz ZVSBLZLPHSQSHT-UHFFFAOYSA-N 2 1 357.542 3.089 20 0 FGADMP CN1CCC2(CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000370086162 499177960 /nfs/dbraw/zinc/17/79/60/499177960.db2.gz ZVSBLZLPHSQSHT-UHFFFAOYSA-N 2 1 357.542 3.089 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310584 499178097 /nfs/dbraw/zinc/17/80/97/499178097.db2.gz UEKXWRIPOKAJLM-QGZVFWFLSA-N 2 1 371.525 3.220 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310584 499178100 /nfs/dbraw/zinc/17/81/00/499178100.db2.gz UEKXWRIPOKAJLM-QGZVFWFLSA-N 2 1 371.525 3.220 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000370163121 499190546 /nfs/dbraw/zinc/19/05/46/499190546.db2.gz RDRKNGSMPORERC-QUCCMNQESA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000370163121 499190549 /nfs/dbraw/zinc/19/05/49/499190549.db2.gz RDRKNGSMPORERC-QUCCMNQESA-N 2 1 368.525 3.423 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000370163826 499191203 /nfs/dbraw/zinc/19/12/03/499191203.db2.gz UHDQTJDSNZZZAB-FZKQIMNGSA-N 2 1 374.510 3.395 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370189089 499195319 /nfs/dbraw/zinc/19/53/19/499195319.db2.gz NDZDRBOJRNSOPJ-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370189089 499195321 /nfs/dbraw/zinc/19/53/21/499195321.db2.gz NDZDRBOJRNSOPJ-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579290835 506137862 /nfs/dbraw/zinc/13/78/62/506137862.db2.gz NVBNSRGOYGHUAC-NPDDRXJXSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579290835 506137865 /nfs/dbraw/zinc/13/78/65/506137865.db2.gz NVBNSRGOYGHUAC-NPDDRXJXSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579290835 506137869 /nfs/dbraw/zinc/13/78/69/506137869.db2.gz NVBNSRGOYGHUAC-NPDDRXJXSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000579290835 506137872 /nfs/dbraw/zinc/13/78/72/506137872.db2.gz NVBNSRGOYGHUAC-NPDDRXJXSA-N 2 1 369.553 3.230 20 0 FGADMP COC(=O)c1csc([C@@H](C)NC2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000367599930 499216216 /nfs/dbraw/zinc/21/62/16/499216216.db2.gz ITEKVRNRMAUERD-OAHLLOKOSA-N 2 1 373.522 3.287 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000367605899 499216852 /nfs/dbraw/zinc/21/68/52/499216852.db2.gz IIAPBLUIRFPRDB-PCCBWWKXSA-N 2 1 355.526 3.275 20 0 FGADMP COc1ccncc1C[N@@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000367813534 499235280 /nfs/dbraw/zinc/23/52/80/499235280.db2.gz HAEUIOOASAJAAZ-UHFFFAOYSA-N 2 1 369.513 3.413 20 0 FGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236078 /nfs/dbraw/zinc/23/60/78/499236078.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236079 /nfs/dbraw/zinc/23/60/79/499236079.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236080 /nfs/dbraw/zinc/23/60/80/499236080.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236081 /nfs/dbraw/zinc/23/60/81/499236081.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000370620190 499236082 /nfs/dbraw/zinc/23/60/82/499236082.db2.gz MHIMCYVKNPKATC-HQMSXXKGSA-N 2 1 359.558 3.398 20 0 FGADMP Cc1nnc(N2CCC([NH2+][C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000367832129 499236837 /nfs/dbraw/zinc/23/68/37/499236837.db2.gz PFHHLFYCZYNQFA-HOCLYGCPSA-N 2 1 363.575 3.058 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695618 499245028 /nfs/dbraw/zinc/24/50/28/499245028.db2.gz BUIDNBHTHKQNMC-WMZHIEFXSA-N 2 1 364.537 3.206 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@H](C)C1 ZINC000368041472 499258533 /nfs/dbraw/zinc/25/85/33/499258533.db2.gz KKLISWSCVITCPN-IKGGRYGDSA-N 2 1 351.535 3.096 20 0 FGADMP COCCC1(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CCCCC1 ZINC000368052708 499259895 /nfs/dbraw/zinc/25/98/95/499259895.db2.gz XWUFFHLIBGSEAD-LJQANCHMSA-N 2 1 351.579 3.074 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000368139905 499268543 /nfs/dbraw/zinc/26/85/43/499268543.db2.gz WMMUVIZTZCMFTD-MBMVPVEPSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000368139905 499268545 /nfs/dbraw/zinc/26/85/45/499268545.db2.gz WMMUVIZTZCMFTD-MBMVPVEPSA-N 2 1 358.526 3.386 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C)c1C ZINC000368289837 499282342 /nfs/dbraw/zinc/28/23/42/499282342.db2.gz AIVQZOPRDNKNNU-AWEZNQCLSA-N 2 1 366.465 3.465 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000368473536 499299540 /nfs/dbraw/zinc/29/95/40/499299540.db2.gz ICRFCYVCSQKGFN-ROUUACIJSA-N 2 1 357.498 3.114 20 0 FGADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000368480904 499300504 /nfs/dbraw/zinc/30/05/04/499300504.db2.gz CRQJTDWZULFYFJ-WJFTUGDTSA-N 2 1 352.906 3.211 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000371328926 499310613 /nfs/dbraw/zinc/31/06/13/499310613.db2.gz ALIGWFCIPGILJJ-INIZCTEOSA-N 2 1 367.457 3.039 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1nc(-c2ncccn2)no1 ZINC000371328926 499310615 /nfs/dbraw/zinc/31/06/15/499310615.db2.gz ALIGWFCIPGILJJ-INIZCTEOSA-N 2 1 367.457 3.039 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCc1nc(-c3ccccc3)no1)CC2)C1CC1 ZINC000371329508 499310626 /nfs/dbraw/zinc/31/06/26/499310626.db2.gz JWXLOTGOXDMOKL-SFHVURJKSA-N 2 1 366.509 3.475 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329594 499310641 /nfs/dbraw/zinc/31/06/41/499310641.db2.gz KXWNHJMXSKEQGZ-ZWKOTPCHSA-N 2 1 357.546 3.058 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(C[C@@H]2C(=O)N2CCCCC2)CC1 ZINC000371443899 499327357 /nfs/dbraw/zinc/32/73/57/499327357.db2.gz UMMOZIMUVFRVOG-LJQANCHMSA-N 2 1 358.530 3.086 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470752 499331023 /nfs/dbraw/zinc/33/10/23/499331023.db2.gz OETLRRPYUXJXEW-VAMGGRTRSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470752 499331025 /nfs/dbraw/zinc/33/10/25/499331025.db2.gz OETLRRPYUXJXEW-VAMGGRTRSA-N 2 1 354.498 3.069 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1ccccc1 ZINC000371519746 499337414 /nfs/dbraw/zinc/33/74/14/499337414.db2.gz NBHJNOXLVSZWBX-HKUYNNGSSA-N 2 1 356.539 3.395 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1ccccc1 ZINC000371519749 499337532 /nfs/dbraw/zinc/33/75/32/499337532.db2.gz NBHJNOXLVSZWBX-PKOBYXMFSA-N 2 1 356.539 3.395 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nccc(C(F)(F)F)n2)CC1 ZINC000369045419 499359857 /nfs/dbraw/zinc/35/98/57/499359857.db2.gz ICIAJKIYZFXRLE-UHFFFAOYSA-N 2 1 353.392 3.270 20 0 FGADMP COc1cccc(-c2noc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3C)n2)c1 ZINC000371835106 499370276 /nfs/dbraw/zinc/37/02/76/499370276.db2.gz QEIPXFGJCVINFZ-CQSZACIVSA-N 2 1 355.442 3.381 20 0 FGADMP Cc1cnc([C@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)s1 ZINC000369186442 499375757 /nfs/dbraw/zinc/37/57/57/499375757.db2.gz CUKLEANEYZXUTG-SFHVURJKSA-N 2 1 350.576 3.047 20 0 FGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000369194353 499376048 /nfs/dbraw/zinc/37/60/48/499376048.db2.gz OZEHHSKOXHZUDU-NHCUHLMSSA-N 2 1 358.574 3.279 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(C(C)(C)C)s3)CC2)CC1 ZINC000369217140 499378580 /nfs/dbraw/zinc/37/85/80/499378580.db2.gz WYEFGCWKDSOWKR-UHFFFAOYSA-N 2 1 364.603 3.290 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182019 499488265 /nfs/dbraw/zinc/48/82/65/499488265.db2.gz FZFQAWXMKBLLNF-GUDVDZBRSA-N 2 1 368.562 3.368 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2)C1CC[NH+](C)CC1 ZINC000375301188 499505022 /nfs/dbraw/zinc/50/50/22/499505022.db2.gz FKKXFURILDWORN-QFIPXVFZSA-N 2 1 357.542 3.220 20 0 FGADMP Cc1ccc(N2CCC([NH2+]C3CCN(C(=O)OCC(C)C)CC3)CC2)[nH+]c1 ZINC000378469521 499520864 /nfs/dbraw/zinc/52/08/64/499520864.db2.gz BWRBYFUQQCACJD-UHFFFAOYSA-N 2 1 374.529 3.205 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000375585559 499535099 /nfs/dbraw/zinc/53/50/99/499535099.db2.gz UGDFTTQIZZKQBY-LJQANCHMSA-N 2 1 360.505 3.327 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000375593646 499536113 /nfs/dbraw/zinc/53/61/13/499536113.db2.gz YYOKFOAERJTNSP-CDNPAEQRSA-N 2 1 365.521 3.464 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)C1 ZINC000375593649 499536122 /nfs/dbraw/zinc/53/61/22/499536122.db2.gz YYOKFOAERJTNSP-SXSPYAJSSA-N 2 1 365.521 3.464 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628196 499539046 /nfs/dbraw/zinc/53/90/46/499539046.db2.gz MZVMOVHVRGAHKY-UIFIKXQLSA-N 2 1 358.526 3.033 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000382766711 499545982 /nfs/dbraw/zinc/54/59/82/499545982.db2.gz VYQZYAKNTYFJFW-CNNODRBYSA-N 2 1 365.521 3.446 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000382732924 499546111 /nfs/dbraw/zinc/54/61/11/499546111.db2.gz DAHIGKXNTKNVRO-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330959 499550678 /nfs/dbraw/zinc/55/06/78/499550678.db2.gz RNEFQWAQLJCCAR-AZUAARDMSA-N 2 1 374.912 3.191 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838887 499560809 /nfs/dbraw/zinc/56/08/09/499560809.db2.gz KNUHOUVIZXLCOU-DUQPFJRNSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000397962203 499565760 /nfs/dbraw/zinc/56/57/60/499565760.db2.gz FOADEBGHVLUSRG-WTIAFYNJSA-N 2 1 368.521 3.064 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1SC ZINC000375902873 499566892 /nfs/dbraw/zinc/56/68/92/499566892.db2.gz GTDHSTBDHHIHRT-SFHVURJKSA-N 2 1 363.571 3.017 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C12CCC2 ZINC000376168589 499588560 /nfs/dbraw/zinc/58/85/60/499588560.db2.gz XLQDJWUOHLCIFI-RTWAWAEBSA-N 3 1 363.590 3.120 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)Cc1ccccc1 ZINC000409533767 499604152 /nfs/dbraw/zinc/60/41/52/499604152.db2.gz XZDIWFLSYYJOLF-UXHICEINSA-N 2 1 373.928 3.232 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823562 499637696 /nfs/dbraw/zinc/63/76/96/499637696.db2.gz PUXQQZJZTKUBDO-NZSAHSFTSA-N 2 1 361.530 3.238 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000376823562 499637699 /nfs/dbraw/zinc/63/76/99/499637699.db2.gz PUXQQZJZTKUBDO-NZSAHSFTSA-N 2 1 361.530 3.238 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000410374294 499658541 /nfs/dbraw/zinc/65/85/41/499658541.db2.gz MVUJGCKMTQZBIS-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CC(C)(C)[N@H+]1C[C@@H](C(=O)Nc2cccc3nccn32)[C@H](C(F)(F)F)C1 ZINC000410527840 499666248 /nfs/dbraw/zinc/66/62/48/499666248.db2.gz KYEFOBUGYSBREE-VXGBXAGGSA-N 2 1 354.376 3.182 20 0 FGADMP C[NH+](C)[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377392031 499686218 /nfs/dbraw/zinc/68/62/18/499686218.db2.gz NVARBVJFIZKFDZ-SZPZYZBQSA-N 4 1 366.638 3.379 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCCCC[NH+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377392031 499686219 /nfs/dbraw/zinc/68/62/19/499686219.db2.gz NVARBVJFIZKFDZ-SZPZYZBQSA-N 4 1 366.638 3.379 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCCCCC[NH+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377392031 499686220 /nfs/dbraw/zinc/68/62/20/499686220.db2.gz NVARBVJFIZKFDZ-SZPZYZBQSA-N 4 1 366.638 3.379 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccc(F)cc2C1 ZINC000377393490 499686487 /nfs/dbraw/zinc/68/64/87/499686487.db2.gz SFDGVXKOCUGJSV-IIBYNOLFSA-N 2 1 361.505 3.473 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccc(F)cc2C1 ZINC000377393490 499686489 /nfs/dbraw/zinc/68/64/89/499686489.db2.gz SFDGVXKOCUGJSV-IIBYNOLFSA-N 2 1 361.505 3.473 20 0 FGADMP CC(CCN1CCC[N@H+](C(C)C)CC1)CC[NH+]1CCCN(C(C)C)CC1 ZINC000411219165 499712977 /nfs/dbraw/zinc/71/29/77/499712977.db2.gz PNTZYHHYVZFWDH-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP CC(CCN1CCC[NH+](C(C)C)CC1)CC[N@@H+]1CCCN(C(C)C)CC1 ZINC000411219165 499712978 /nfs/dbraw/zinc/71/29/78/499712978.db2.gz PNTZYHHYVZFWDH-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP CC(CCN1CCC[NH+](C(C)C)CC1)CC[N@H+]1CCCN(C(C)C)CC1 ZINC000411219165 499712980 /nfs/dbraw/zinc/71/29/80/499712980.db2.gz PNTZYHHYVZFWDH-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP CC(CC[NH+]1CCCN(C(C)C)CC1)CC[N@@H+]1CCCN(C(C)C)CC1 ZINC000411219165 499712981 /nfs/dbraw/zinc/71/29/81/499712981.db2.gz PNTZYHHYVZFWDH-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP CC(CC[NH+]1CCCN(C(C)C)CC1)CC[N@H+]1CCCN(C(C)C)CC1 ZINC000411219165 499712982 /nfs/dbraw/zinc/71/29/82/499712982.db2.gz PNTZYHHYVZFWDH-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000377629466 499713098 /nfs/dbraw/zinc/71/30/98/499713098.db2.gz RTPKCYMMEKHESB-LJQANCHMSA-N 2 1 367.537 3.308 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377701483 499722093 /nfs/dbraw/zinc/72/20/93/499722093.db2.gz SZYOUVMHDQRYLB-IAGOWNOFSA-N 2 1 352.482 3.265 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377701483 499722094 /nfs/dbraw/zinc/72/20/94/499722094.db2.gz SZYOUVMHDQRYLB-IAGOWNOFSA-N 2 1 352.482 3.265 20 0 FGADMP C[C@@H](CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000411331406 499726580 /nfs/dbraw/zinc/72/65/80/499726580.db2.gz MMYCYJYKABSOMU-PVIWCNJMSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H](CC[NH+](C)[C@@H]1CCN(C)[C@@H](C)C1)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331406 499726582 /nfs/dbraw/zinc/72/65/82/499726582.db2.gz MMYCYJYKABSOMU-PVIWCNJMSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H](CC[NH+](C)[C@@H]1CCN(C)[C@@H](C)C1)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331406 499726583 /nfs/dbraw/zinc/72/65/83/499726583.db2.gz MMYCYJYKABSOMU-PVIWCNJMSA-N 2 1 366.638 3.232 20 0 FGADMP Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000411344658 499727904 /nfs/dbraw/zinc/72/79/04/499727904.db2.gz JFSRMPZEVFSSEF-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411344658 499727906 /nfs/dbraw/zinc/72/79/06/499727906.db2.gz JFSRMPZEVFSSEF-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411344658 499727908 /nfs/dbraw/zinc/72/79/08/499727908.db2.gz JFSRMPZEVFSSEF-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000411344658 499727910 /nfs/dbraw/zinc/72/79/10/499727910.db2.gz JFSRMPZEVFSSEF-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000411344658 499727912 /nfs/dbraw/zinc/72/79/12/499727912.db2.gz JFSRMPZEVFSSEF-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP C[C@@]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)(C(N)=O)c1ccccc1 ZINC000411363557 499729726 /nfs/dbraw/zinc/72/97/26/499729726.db2.gz XWZRBCGEQPPGTI-QFIPXVFZSA-N 2 1 351.494 3.163 20 0 FGADMP O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411062 499736625 /nfs/dbraw/zinc/73/66/25/499736625.db2.gz FOYGWELRLGAZAN-RTWAWAEBSA-N 2 1 355.526 3.163 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1cc3ccccc3o1)C2 ZINC000377822832 499738972 /nfs/dbraw/zinc/73/89/72/499738972.db2.gz CSPKHCVMPSQMMG-INMHGKMJSA-N 2 1 366.465 3.108 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000377821572 499739079 /nfs/dbraw/zinc/73/90/79/499739079.db2.gz PTQQTBQAMKZWHL-GOSISDBHSA-N 2 1 374.960 3.254 20 0 FGADMP C[C@@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377870041 499743872 /nfs/dbraw/zinc/74/38/72/499743872.db2.gz SADVVSVNHCEZSP-XLIONFOSSA-N 2 1 374.960 3.253 20 0 FGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000377908160 499747342 /nfs/dbraw/zinc/74/73/42/499747342.db2.gz RMJNUNGLSLCDLV-IZZBFERCSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000377908160 499747344 /nfs/dbraw/zinc/74/73/44/499747344.db2.gz RMJNUNGLSLCDLV-IZZBFERCSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000377908160 499747346 /nfs/dbraw/zinc/74/73/46/499747346.db2.gz RMJNUNGLSLCDLV-IZZBFERCSA-N 2 1 357.542 3.401 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414131746 499763449 /nfs/dbraw/zinc/76/34/49/499763449.db2.gz YKJBJLXWZSCNSJ-LMMKCTJWSA-N 2 1 363.933 3.153 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414257556 499771986 /nfs/dbraw/zinc/77/19/86/499771986.db2.gz FJMZBPSCILPXHR-VLCRHTCISA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CC1CCOCC1 ZINC000414257556 499771988 /nfs/dbraw/zinc/77/19/88/499771988.db2.gz FJMZBPSCILPXHR-VLCRHTCISA-N 2 1 360.542 3.318 20 0 FGADMP CS(=O)(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411688030 499778006 /nfs/dbraw/zinc/77/80/06/499778006.db2.gz HNYQQPKYUDDPCF-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411688030 499778007 /nfs/dbraw/zinc/77/80/07/499778007.db2.gz HNYQQPKYUDDPCF-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000411988678 499810147 /nfs/dbraw/zinc/81/01/47/499810147.db2.gz SHYMFULZCJOPAW-QGZVFWFLSA-N 2 1 363.527 3.064 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000411988678 499810148 /nfs/dbraw/zinc/81/01/48/499810148.db2.gz SHYMFULZCJOPAW-QGZVFWFLSA-N 2 1 363.527 3.064 20 0 FGADMP COC(=O)[C@H]1CSCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412084542 499821844 /nfs/dbraw/zinc/82/18/44/499821844.db2.gz TXNXFJRYRFSBEA-LJQANCHMSA-N 2 1 362.539 3.011 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735259 499824786 /nfs/dbraw/zinc/82/47/86/499824786.db2.gz CFWSZVQTZBDMCM-HZPDHXFCSA-N 2 1 364.921 3.268 20 0 FGADMP CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414752684 499826727 /nfs/dbraw/zinc/82/67/27/499826727.db2.gz LBZBJRSCJIXIHF-DZGCQCFKSA-N 2 1 372.340 3.320 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774662 499829527 /nfs/dbraw/zinc/82/95/27/499829527.db2.gz FREQCBNUISEODW-KGLIPLIRSA-N 2 1 353.304 3.279 20 0 FGADMP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000414813622 499833683 /nfs/dbraw/zinc/83/36/83/499833683.db2.gz UIEKNSZJUSZNKH-NSHDSACASA-N 2 1 363.255 3.487 20 0 FGADMP C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414859162 499838540 /nfs/dbraw/zinc/83/85/40/499838540.db2.gz SVNILVUHJYIWHQ-DZGCQCFKSA-N 2 1 363.303 3.113 20 0 FGADMP COc1ccc([C@@H]2CCNC[C@H]2[NH2+]C/C=C/c2ccccc2OC)cc1 ZINC000414884334 499841365 /nfs/dbraw/zinc/84/13/65/499841365.db2.gz NRTZNWLRHDRSEP-HEMPXHLYSA-N 2 1 352.478 3.452 20 0 FGADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC1 ZINC000414893106 499842417 /nfs/dbraw/zinc/84/24/17/499842417.db2.gz REJMIKGOOPIXNN-NSHDSACASA-N 2 1 353.182 3.175 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)cc2)n1 ZINC000415003997 499854068 /nfs/dbraw/zinc/85/40/68/499854068.db2.gz PQTWYRSJAHCGTQ-ZDUSSCGKSA-N 2 1 374.357 3.226 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccnn2-c2ccccc2)cc1 ZINC000415010046 499854635 /nfs/dbraw/zinc/85/46/35/499854635.db2.gz USOBKIHGYIPRIM-GCJKJVERSA-N 2 1 364.468 3.494 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415043102 499857684 /nfs/dbraw/zinc/85/76/84/499857684.db2.gz ADUQQRDYQKAMSK-KSSFIOAISA-N 2 1 351.922 3.184 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415078154 499861423 /nfs/dbraw/zinc/86/14/23/499861423.db2.gz FQXSGRVKCKLZMW-NHCUHLMSSA-N 2 1 353.510 3.210 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086462 499861938 /nfs/dbraw/zinc/86/19/38/499861938.db2.gz JREGZEWUOBOJAY-AZUAARDMSA-N 2 1 352.482 3.132 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093852 499862696 /nfs/dbraw/zinc/86/26/96/499862696.db2.gz WIJORMCGBLJDMI-OXJNMPFZSA-N 3 1 362.562 3.404 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093851 499862758 /nfs/dbraw/zinc/86/27/58/499862758.db2.gz WIJORMCGBLJDMI-JXFKEZNVSA-N 3 1 362.562 3.404 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCCCc3ccccc3)c2)CCCO1 ZINC000415101462 499863751 /nfs/dbraw/zinc/86/37/51/499863751.db2.gz BXGKSZHLDRVSRK-QFIPXVFZSA-N 2 1 354.494 3.248 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)CCCO1 ZINC000415101462 499863753 /nfs/dbraw/zinc/86/37/53/499863753.db2.gz BXGKSZHLDRVSRK-QFIPXVFZSA-N 2 1 354.494 3.248 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104515 499864107 /nfs/dbraw/zinc/86/41/07/499864107.db2.gz HAZHHMKHAPFCGT-FEBNOMPUSA-N 2 1 352.478 3.328 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104515 499864109 /nfs/dbraw/zinc/86/41/09/499864109.db2.gz HAZHHMKHAPFCGT-FEBNOMPUSA-N 2 1 352.478 3.328 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000415123261 499866533 /nfs/dbraw/zinc/86/65/33/499866533.db2.gz PJTOUZFMWJMJQP-YZGWKJHDSA-N 2 1 372.557 3.107 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)s3)CC2)C1 ZINC000415129040 499867707 /nfs/dbraw/zinc/86/77/07/499867707.db2.gz UDPOPIRIKQWFGQ-GXTWGEPZSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000415130756 499867935 /nfs/dbraw/zinc/86/79/35/499867935.db2.gz XOJHPRUQEAKZSU-PBHICJAKSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000415133720 499868237 /nfs/dbraw/zinc/86/82/37/499868237.db2.gz VLGDPZDFQSDSOP-UKRRQHHQSA-N 2 1 359.333 3.229 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000415949796 499932508 /nfs/dbraw/zinc/93/25/08/499932508.db2.gz GMFCNTPEZIBAQU-UHFFFAOYSA-N 2 1 367.497 3.290 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000415972588 499935500 /nfs/dbraw/zinc/93/55/00/499935500.db2.gz NCBWDZGHBILJHY-HXUWFJFHSA-N 2 1 352.482 3.192 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000415974187 499935855 /nfs/dbraw/zinc/93/58/55/499935855.db2.gz QERVMCLSMOGZHF-OXJNMPFZSA-N 2 1 352.482 3.363 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976868 499936331 /nfs/dbraw/zinc/93/63/31/499936331.db2.gz VYDSXSHVZHDXKS-OLZOCXBDSA-N 2 1 372.435 3.406 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415979094 499936446 /nfs/dbraw/zinc/93/64/46/499936446.db2.gz ZFJORRUICDOEFX-GFCCVEGCSA-N 2 1 360.424 3.406 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000415988908 499937982 /nfs/dbraw/zinc/93/79/82/499937982.db2.gz JXDGYXYDMCXDBG-GOSISDBHSA-N 2 1 360.889 3.484 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417042689 499956239 /nfs/dbraw/zinc/95/62/39/499956239.db2.gz LXDJICQJOKWKRG-FXAWDEMLSA-N 2 1 360.546 3.203 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417045981 499957143 /nfs/dbraw/zinc/95/71/43/499957143.db2.gz YXUCCIRVIJKHJY-WSTZPKSXSA-N 2 1 360.546 3.134 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416216092 499983282 /nfs/dbraw/zinc/98/32/82/499983282.db2.gz AKMNGLFQYWCSJY-FQEVSTJZSA-N 2 1 367.493 3.453 20 0 FGADMP CC(C[NH+]1CCOC[C@H](C2CCC2)C1)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029962 499988298 /nfs/dbraw/zinc/98/82/98/499988298.db2.gz QPEGIVTUIYSHAG-FGZHOGPDSA-N 2 1 364.574 3.120 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000429243290 500031693 /nfs/dbraw/zinc/03/16/93/500031693.db2.gz DGJPSTKRTTVIJI-GOSISDBHSA-N 2 1 356.514 3.377 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1 ZINC000429243290 500031698 /nfs/dbraw/zinc/03/16/98/500031698.db2.gz DGJPSTKRTTVIJI-GOSISDBHSA-N 2 1 356.514 3.377 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](CCO)CC1)C1CC[NH+](C)CC1 ZINC000421399674 500038616 /nfs/dbraw/zinc/03/86/16/500038616.db2.gz QOZJULQRADXNSX-IBGZPJMESA-N 2 1 359.558 3.202 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1(O)CCOCC1 ZINC000417350991 500045971 /nfs/dbraw/zinc/04/59/71/500045971.db2.gz ATTXRQYFJVPJEV-PCCBWWKXSA-N 2 1 372.553 3.054 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCCCC5)ncn4)C[C@@H]32)cc1 ZINC000425272597 500061732 /nfs/dbraw/zinc/06/17/32/500061732.db2.gz GYHJPCJBSZURRU-UXHICEINSA-N 2 1 363.509 3.178 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000417407327 500064182 /nfs/dbraw/zinc/06/41/82/500064182.db2.gz SKOOGLMSSAENSU-OAQYLSRUSA-N 2 1 368.525 3.200 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)cc1 ZINC000429415233 500074094 /nfs/dbraw/zinc/07/40/94/500074094.db2.gz DNFOWEMLZXUXJU-SSGKUCQKSA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)C2)cc1 ZINC000429415233 500074097 /nfs/dbraw/zinc/07/40/97/500074097.db2.gz DNFOWEMLZXUXJU-SSGKUCQKSA-N 2 1 372.553 3.462 20 0 FGADMP C[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000429450641 500080560 /nfs/dbraw/zinc/08/05/60/500080560.db2.gz WQMBJDWPFALXLD-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(C)cccc3OC)CC2)CC1 ZINC000573337636 506175263 /nfs/dbraw/zinc/17/52/63/506175263.db2.gz VQJIMIUXCXUDQN-UHFFFAOYSA-N 2 1 359.514 3.138 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564815 500103993 /nfs/dbraw/zinc/10/39/93/500103993.db2.gz GPDIOYYPMFWRSJ-PZJWPPBQSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564815 500103996 /nfs/dbraw/zinc/10/39/96/500103996.db2.gz GPDIOYYPMFWRSJ-PZJWPPBQSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564815 500104001 /nfs/dbraw/zinc/10/40/01/500104001.db2.gz GPDIOYYPMFWRSJ-PZJWPPBQSA-N 2 1 357.542 3.150 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000425446233 500108451 /nfs/dbraw/zinc/10/84/51/500108451.db2.gz PWFCGWDFHSERNK-VXKWHMMOSA-N 2 1 352.522 3.480 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000425446233 500108453 /nfs/dbraw/zinc/10/84/53/500108453.db2.gz PWFCGWDFHSERNK-VXKWHMMOSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429668322 500120926 /nfs/dbraw/zinc/12/09/26/500120926.db2.gz PPBIXCWSFNUADW-ZDUSSCGKSA-N 2 1 358.313 3.150 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429668322 500120930 /nfs/dbraw/zinc/12/09/30/500120930.db2.gz PPBIXCWSFNUADW-ZDUSSCGKSA-N 2 1 358.313 3.150 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000416809626 500125750 /nfs/dbraw/zinc/12/57/50/500125750.db2.gz JIHBSAPCXOKIOH-MSOLQXFVSA-N 2 1 358.486 3.005 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414076119 500146759 /nfs/dbraw/zinc/14/67/59/500146759.db2.gz PWKAARATRFJYMQ-QGZVFWFLSA-N 2 1 356.514 3.401 20 0 FGADMP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000417744871 500162435 /nfs/dbraw/zinc/16/24/35/500162435.db2.gz ZDJAJRYTJWBLBW-UHFFFAOYSA-N 2 1 372.513 3.038 20 0 FGADMP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417744871 500162438 /nfs/dbraw/zinc/16/24/38/500162438.db2.gz ZDJAJRYTJWBLBW-UHFFFAOYSA-N 2 1 372.513 3.038 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000416966663 500168528 /nfs/dbraw/zinc/16/85/28/500168528.db2.gz FVCQXCROPHUIST-OALUTQOASA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000416969764 500170045 /nfs/dbraw/zinc/17/00/45/500170045.db2.gz CHKOGYDIVBJXKW-KRWDZBQOSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000416972099 500171232 /nfs/dbraw/zinc/17/12/32/500171232.db2.gz HVUBLYUFPKZGGN-KRWDZBQOSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@H]1C[NH3+] ZINC000416975496 500172716 /nfs/dbraw/zinc/17/27/16/500172716.db2.gz MVNXMUMIHQZPBB-LVCYWYKZSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)C1 ZINC000416981256 500174627 /nfs/dbraw/zinc/17/46/27/500174627.db2.gz CJUPXXORYHYPDX-OVQGTLEDSA-N 2 1 372.557 3.091 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416984255 500174856 /nfs/dbraw/zinc/17/48/56/500174856.db2.gz XZSFWJXBJKAPAJ-MSOLQXFVSA-N 2 1 360.546 3.378 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000417881594 500190811 /nfs/dbraw/zinc/19/08/11/500190811.db2.gz RDPSMAKTTYHIKX-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccccc1 ZINC000430111004 500194240 /nfs/dbraw/zinc/19/42/40/500194240.db2.gz MXDVQLIRELMIHD-SFHVURJKSA-N 2 1 353.514 3.200 20 0 FGADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccccc1 ZINC000430111004 500194244 /nfs/dbraw/zinc/19/42/44/500194244.db2.gz MXDVQLIRELMIHD-SFHVURJKSA-N 2 1 353.514 3.200 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918761 500197758 /nfs/dbraw/zinc/19/77/58/500197758.db2.gz YJOHCXKEWGUUJJ-AZUAARDMSA-N 2 1 360.546 3.134 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417919344 500198240 /nfs/dbraw/zinc/19/82/40/500198240.db2.gz FSSAAMLZUKTVGS-HMXCVIKNSA-N 2 1 374.573 3.302 20 0 FGADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035353 500202835 /nfs/dbraw/zinc/20/28/35/500202835.db2.gz LCVGWFTXNJQZBP-ZWKOTPCHSA-N 2 1 358.530 3.046 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035353 500202840 /nfs/dbraw/zinc/20/28/40/500202840.db2.gz LCVGWFTXNJQZBP-ZWKOTPCHSA-N 2 1 358.530 3.046 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418150637 500237568 /nfs/dbraw/zinc/23/75/68/500237568.db2.gz DCCGFGOVKNWBGL-VQTJNVASSA-N 2 1 374.573 3.302 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418156871 500238594 /nfs/dbraw/zinc/23/85/94/500238594.db2.gz NUDDEDGIHRBRJJ-AABGKKOBSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000418177565 500243547 /nfs/dbraw/zinc/24/35/47/500243547.db2.gz HUXIRGXIDDBEIC-IIDMSEBBSA-N 2 1 366.937 3.102 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185260 500244879 /nfs/dbraw/zinc/24/48/79/500244879.db2.gz QWTOEIQTTBQELV-YXJHDRRASA-N 2 1 366.937 3.102 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193370 500246961 /nfs/dbraw/zinc/24/69/61/500246961.db2.gz ZLXPFGAQKXAYRJ-ZTFGCOKTSA-N 2 1 366.937 3.150 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418231555 500253103 /nfs/dbraw/zinc/25/31/03/500253103.db2.gz GQHBHXVGLMOLPS-NHCUHLMSSA-N 2 1 374.573 3.304 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000430577668 500257379 /nfs/dbraw/zinc/25/73/79/500257379.db2.gz CYMIOUWVBGYKMO-AWEZNQCLSA-N 2 1 374.298 3.222 20 0 FGADMP [NH3+]CCCOC1CC[NH+](CC(=O)Nc2ccccc2-c2ccccc2)CC1 ZINC000430591151 500259733 /nfs/dbraw/zinc/25/97/33/500259733.db2.gz NDSIAWWVFJCGCR-UHFFFAOYSA-N 2 1 367.493 3.122 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430609051 500261613 /nfs/dbraw/zinc/26/16/13/500261613.db2.gz GIXYIUCIFGBOMX-KRWDZBQOSA-N 2 1 353.466 3.478 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348043 500266762 /nfs/dbraw/zinc/26/67/62/500266762.db2.gz QYDAMKDHVANDLZ-ICSRJNTNSA-N 2 1 366.594 3.164 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418352283 500266940 /nfs/dbraw/zinc/26/69/40/500266940.db2.gz BVMMKIRUFRCQJS-IBGZPJMESA-N 2 1 352.567 3.048 20 0 FGADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418356144 500267684 /nfs/dbraw/zinc/26/76/84/500267684.db2.gz XLHQOSQMYAYQNF-JYRKZWEQSA-N 2 1 372.557 3.242 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418426731 500275496 /nfs/dbraw/zinc/27/54/96/500275496.db2.gz MNEMAXVEDPAFKJ-PMACEKPBSA-N 2 1 372.557 3.200 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccc([C@H](C)[NH3+])cc3)CC2)c1 ZINC000418444115 500277262 /nfs/dbraw/zinc/27/72/62/500277262.db2.gz ASZKBORYWMGJKK-SFHVURJKSA-N 2 1 366.509 3.042 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418471566 500280447 /nfs/dbraw/zinc/28/04/47/500280447.db2.gz RRSXSVJQNRTSJW-IFMALSPDSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCC[NH2+]C1 ZINC000430800936 500287193 /nfs/dbraw/zinc/28/71/93/500287193.db2.gz VRQMQUDJRARZGJ-GNBUJSLZSA-N 2 1 373.541 3.260 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCC[NH2+]C1 ZINC000430800936 500287197 /nfs/dbraw/zinc/28/71/97/500287197.db2.gz VRQMQUDJRARZGJ-GNBUJSLZSA-N 2 1 373.541 3.260 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422703497 500287970 /nfs/dbraw/zinc/28/79/70/500287970.db2.gz HWJWRMODJUJYTG-GXTWGEPZSA-N 2 1 361.287 3.186 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422710840 500288603 /nfs/dbraw/zinc/28/86/03/500288603.db2.gz LRRADDBADWIVCB-PVAVHDDUSA-N 2 1 352.320 3.148 20 0 FGADMP COc1ccc([C@H](NCC[N@@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422730665 500291349 /nfs/dbraw/zinc/29/13/49/500291349.db2.gz FCXFOAKIDJUKCW-CTNGQTDRSA-N 2 1 371.550 3.198 20 0 FGADMP COc1ccc([C@H](NCC[N@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422730665 500291351 /nfs/dbraw/zinc/29/13/51/500291351.db2.gz FCXFOAKIDJUKCW-CTNGQTDRSA-N 2 1 371.550 3.198 20 0 FGADMP COc1ccc([C@H](NCC[N@@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422730666 500291449 /nfs/dbraw/zinc/29/14/49/500291449.db2.gz FCXFOAKIDJUKCW-FPOVZHCZSA-N 2 1 371.550 3.198 20 0 FGADMP COc1ccc([C@H](NCC[N@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422730666 500291452 /nfs/dbraw/zinc/29/14/52/500291452.db2.gz FCXFOAKIDJUKCW-FPOVZHCZSA-N 2 1 371.550 3.198 20 0 FGADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757739 500294695 /nfs/dbraw/zinc/29/46/95/500294695.db2.gz IXBDFHKFTYBYRB-JOQOYGCGSA-N 2 1 355.448 3.286 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809069 500300671 /nfs/dbraw/zinc/30/06/71/500300671.db2.gz RFLAQHKQPWFGAH-IERDGZPVSA-N 2 1 351.494 3.473 20 0 FGADMP c1cc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824679 500302572 /nfs/dbraw/zinc/30/25/72/500302572.db2.gz HVJLFYSAVVFJLT-YTFSRNRJSA-N 2 1 371.569 3.309 20 0 FGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422825361 500302715 /nfs/dbraw/zinc/30/27/15/500302715.db2.gz JPEYWACSESHSPP-BZUAXINKSA-N 2 1 357.420 3.423 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430921155 500307286 /nfs/dbraw/zinc/30/72/86/500307286.db2.gz XGQFZRRRPUTMBA-CHWSQXEVSA-N 2 1 353.894 3.043 20 0 FGADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422888891 500311445 /nfs/dbraw/zinc/31/14/45/500311445.db2.gz OFNLALVVVRHJQO-QHAWAJNXSA-N 2 1 371.456 3.260 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000422903688 500313756 /nfs/dbraw/zinc/31/37/56/500313756.db2.gz OVVQRHCCOZLWOS-XWIAVFTESA-N 2 1 366.383 3.180 20 0 FGADMP C[C@@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)c1c[nH+]ccc1N ZINC000422935742 500319833 /nfs/dbraw/zinc/31/98/33/500319833.db2.gz DMSHNJFJQWBCOG-CYBMUJFWSA-N 2 1 353.495 3.423 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431013847 500323223 /nfs/dbraw/zinc/32/32/23/500323223.db2.gz KMBLSPKOWPNSHY-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032674 500326357 /nfs/dbraw/zinc/32/63/57/500326357.db2.gz KNUTXWWQECNZGD-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000423001140 500329702 /nfs/dbraw/zinc/32/97/02/500329702.db2.gz WSEJMZIXTOPSGI-XJKSGUPXSA-N 2 1 353.388 3.027 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423012375 500331080 /nfs/dbraw/zinc/33/10/80/500331080.db2.gz KOLFSQHQNSTVRO-UKRRQHHQSA-N 2 1 353.388 3.027 20 0 FGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423093800 500340959 /nfs/dbraw/zinc/34/09/59/500340959.db2.gz IMGLVZOIEDPMIS-KVMJBUIKSA-N 2 1 352.881 3.414 20 0 FGADMP CCC1(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000426990384 500341887 /nfs/dbraw/zinc/34/18/87/500341887.db2.gz HYTISTDWMOJMNL-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056367 500349185 /nfs/dbraw/zinc/34/91/85/500349185.db2.gz FEZHTTZCZGIYEL-FCEUIQTBSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056367 500349186 /nfs/dbraw/zinc/34/91/86/500349186.db2.gz FEZHTTZCZGIYEL-FCEUIQTBSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056367 500349188 /nfs/dbraw/zinc/34/91/88/500349188.db2.gz FEZHTTZCZGIYEL-FCEUIQTBSA-N 2 1 367.537 3.126 20 0 FGADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000423157965 500349927 /nfs/dbraw/zinc/34/99/27/500349927.db2.gz NEONZZGFOSWQRU-IAOVAPTHSA-N 2 1 359.297 3.119 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127809 500356543 /nfs/dbraw/zinc/35/65/43/500356543.db2.gz HQXMBCMLYCZHAQ-PZJWPPBQSA-N 2 1 351.494 3.461 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127809 500356546 /nfs/dbraw/zinc/35/65/46/500356546.db2.gz HQXMBCMLYCZHAQ-PZJWPPBQSA-N 2 1 351.494 3.461 20 0 FGADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423281326 500361161 /nfs/dbraw/zinc/36/11/61/500361161.db2.gz UGRYNTBLURFXTM-YMTOWFKASA-N 2 1 363.811 3.403 20 0 FGADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423285838 500361773 /nfs/dbraw/zinc/36/17/73/500361773.db2.gz YUXMRPBMXAKTPI-QRWLVFNGSA-N 2 1 350.466 3.301 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427286951 500378099 /nfs/dbraw/zinc/37/80/99/500378099.db2.gz IAZVHJUOARWNPX-PZJWPPBQSA-N 2 1 357.542 3.137 20 0 FGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423503148 500380013 /nfs/dbraw/zinc/38/00/13/500380013.db2.gz FJQGAKMPGNWYKR-ODIFPOPNSA-N 2 1 350.576 3.442 20 0 FGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OCCC ZINC000423506630 500380126 /nfs/dbraw/zinc/38/01/26/500380126.db2.gz HJTGXNMXPRWVDH-AEFFLSMTSA-N 2 1 350.503 3.293 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1OC(F)F ZINC000423511614 500380556 /nfs/dbraw/zinc/38/05/56/500380556.db2.gz NROQBUPPWBSYJP-JEYLPNPQSA-N 2 1 371.447 3.294 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)C1CC1 ZINC000419740592 500392059 /nfs/dbraw/zinc/39/20/59/500392059.db2.gz XRBFRUIKJYYXDQ-UHFFFAOYSA-N 3 1 364.965 3.056 20 0 FGADMP CN1CCN(c2cccc(Cl)c2C[NH2+]CCCC[N@H+](C)C2CC2)CC1 ZINC000419740592 500392061 /nfs/dbraw/zinc/39/20/61/500392061.db2.gz XRBFRUIKJYYXDQ-UHFFFAOYSA-N 2 1 364.965 3.056 20 0 FGADMP CN1CCN(c2cccc(Cl)c2C[NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000419740592 500392064 /nfs/dbraw/zinc/39/20/64/500392064.db2.gz XRBFRUIKJYYXDQ-UHFFFAOYSA-N 2 1 364.965 3.056 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427440572 500393763 /nfs/dbraw/zinc/39/37/63/500393763.db2.gz CZUAOKIMPUPERM-UHFFFAOYSA-N 2 1 359.514 3.272 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431656064 500404354 /nfs/dbraw/zinc/40/43/54/500404354.db2.gz UFEHZECTOXFFTE-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431656064 500404357 /nfs/dbraw/zinc/40/43/57/500404357.db2.gz UFEHZECTOXFFTE-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431656064 500404360 /nfs/dbraw/zinc/40/43/60/500404360.db2.gz UFEHZECTOXFFTE-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CCC1 ZINC000423817025 500405438 /nfs/dbraw/zinc/40/54/38/500405438.db2.gz YQEPZJUZUMOOQG-QGZVFWFLSA-N 2 1 370.324 3.201 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000423937938 500421295 /nfs/dbraw/zinc/42/12/95/500421295.db2.gz HWOHSNWTVUQKFK-OALUTQOASA-N 2 1 359.901 3.321 20 0 FGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@H]([NH3+])C2)n1 ZINC000420123783 500421614 /nfs/dbraw/zinc/42/16/14/500421614.db2.gz RBBQNIORAKPSJY-HNNXBMFYSA-N 2 1 367.522 3.347 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]1 ZINC000431787181 500425227 /nfs/dbraw/zinc/42/52/27/500425227.db2.gz VIYHXWKCKNLLSK-HXUWFJFHSA-N 2 1 366.509 3.168 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnc2ccccc2n1 ZINC000431805262 500427041 /nfs/dbraw/zinc/42/70/41/500427041.db2.gz RCPVHQZMDAISPH-UHFFFAOYSA-N 2 1 367.541 3.262 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992364 500431591 /nfs/dbraw/zinc/43/15/91/500431591.db2.gz GCSMMQRTNUEVDN-FCHUYYIVSA-N 2 1 363.505 3.072 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312757 500438974 /nfs/dbraw/zinc/43/89/74/500438974.db2.gz OVRMFLGHALPRJQ-LRDDRELGSA-N 2 1 356.297 3.160 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000431893538 500439610 /nfs/dbraw/zinc/43/96/10/500439610.db2.gz GOJNAJVLEFFGRJ-OAQYLSRUSA-N 2 1 357.542 3.074 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324852 500441650 /nfs/dbraw/zinc/44/16/50/500441650.db2.gz HROLGVIFKYODJB-HOTGVXAUSA-N 2 1 360.889 3.254 20 0 FGADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420324576 500441683 /nfs/dbraw/zinc/44/16/83/500441683.db2.gz VRNOFYDACCVYJW-BDTNDASRSA-N 2 1 354.494 3.153 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324848 500442028 /nfs/dbraw/zinc/44/20/28/500442028.db2.gz HROLGVIFKYODJB-CVEARBPZSA-N 2 1 360.889 3.254 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(SCC)c2)[C@@H](C)C1 ZINC000427883438 500442087 /nfs/dbraw/zinc/44/20/87/500442087.db2.gz CHXGZUZOQAFSGN-FUHWJXTLSA-N 2 1 351.560 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(SCC)c2)[C@@H](C)C1 ZINC000427883438 500442089 /nfs/dbraw/zinc/44/20/89/500442089.db2.gz CHXGZUZOQAFSGN-FUHWJXTLSA-N 2 1 351.560 3.420 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000420327291 500442543 /nfs/dbraw/zinc/44/25/43/500442543.db2.gz YDQSCKDTZODBPW-PKOBYXMFSA-N 2 1 360.523 3.480 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420384426 500452340 /nfs/dbraw/zinc/45/23/40/500452340.db2.gz DSYYMRRZEFLTLR-RHSMWYFYSA-N 2 1 353.304 3.292 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397141 500455560 /nfs/dbraw/zinc/45/55/60/500455560.db2.gz MOTIUWYPWYLJNV-UXHICEINSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397141 500455563 /nfs/dbraw/zinc/45/55/63/500455563.db2.gz MOTIUWYPWYLJNV-UXHICEINSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302007 500483745 /nfs/dbraw/zinc/48/37/45/500483745.db2.gz YQYYROGSCNCIBN-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Br ZINC000424380652 500494173 /nfs/dbraw/zinc/49/41/73/500494173.db2.gz QDBZWAFELRMXFR-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612820 506199267 /nfs/dbraw/zinc/19/92/67/506199267.db2.gz OZWMWIIFVDYIDS-HKUYNNGSSA-N 2 1 368.477 3.437 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612820 506199270 /nfs/dbraw/zinc/19/92/70/506199270.db2.gz OZWMWIIFVDYIDS-HKUYNNGSSA-N 2 1 368.477 3.437 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424427513 500503020 /nfs/dbraw/zinc/50/30/20/500503020.db2.gz PRRUDEXAORDZES-OXQOHEQNSA-N 2 1 352.482 3.096 20 0 FGADMP C[C@H](CC1CCOCC1)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442076 500510925 /nfs/dbraw/zinc/51/09/25/500510925.db2.gz ZAIVUJOLRYGSBP-DENIHFKCSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442076 500510928 /nfs/dbraw/zinc/51/09/28/500510928.db2.gz ZAIVUJOLRYGSBP-DENIHFKCSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428442076 500510929 /nfs/dbraw/zinc/51/09/29/500510929.db2.gz ZAIVUJOLRYGSBP-DENIHFKCSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428442076 500510930 /nfs/dbraw/zinc/51/09/30/500510930.db2.gz ZAIVUJOLRYGSBP-DENIHFKCSA-N 2 1 360.542 3.008 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432408455 500512323 /nfs/dbraw/zinc/51/23/23/500512323.db2.gz UFXIDHMZVPXXCF-UYJHFMRCSA-N 2 1 356.432 3.388 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432408455 500512326 /nfs/dbraw/zinc/51/23/26/500512326.db2.gz UFXIDHMZVPXXCF-UYJHFMRCSA-N 2 1 356.432 3.388 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420898594 500525464 /nfs/dbraw/zinc/52/54/64/500525464.db2.gz ZIYJFRANRTWNAY-KHQYNDFOSA-N 2 1 372.557 3.164 20 0 FGADMP Cc1cccc(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000428714035 500547803 /nfs/dbraw/zinc/54/78/03/500547803.db2.gz XZMCBPCLEAEGIL-NRFANRHFSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1cccc(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000428714035 500547805 /nfs/dbraw/zinc/54/78/05/500547805.db2.gz XZMCBPCLEAEGIL-NRFANRHFSA-N 2 1 353.510 3.154 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccccc3Cl)CC2)CC1 ZINC000421001008 500551599 /nfs/dbraw/zinc/55/15/99/500551599.db2.gz FDTCPWUYXNXBOX-UHFFFAOYSA-N 2 1 365.949 3.211 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428742731 500551759 /nfs/dbraw/zinc/55/17/59/500551759.db2.gz UZHACXDRARCWLK-QGZVFWFLSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000432797207 500565457 /nfs/dbraw/zinc/56/54/57/500565457.db2.gz KLZZBVKGGHQWQR-FDFHNCONSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000432797207 500565459 /nfs/dbraw/zinc/56/54/59/500565459.db2.gz KLZZBVKGGHQWQR-FDFHNCONSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000432797207 500565463 /nfs/dbraw/zinc/56/54/63/500565463.db2.gz KLZZBVKGGHQWQR-FDFHNCONSA-N 2 1 369.553 3.135 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000447184563 500573557 /nfs/dbraw/zinc/57/35/57/500573557.db2.gz VYSUFXHDAYSHFU-HXUWFJFHSA-N 2 1 359.514 3.270 20 0 FGADMP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043675 500595809 /nfs/dbraw/zinc/59/58/09/500595809.db2.gz VNCCNOQAKMGTMC-YADHBBJMSA-N 2 1 371.569 3.477 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435406 500605777 /nfs/dbraw/zinc/60/57/77/500605777.db2.gz OHQBWXRNPGSVGZ-VGOFRKELSA-N 2 1 367.493 3.220 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513859 500615477 /nfs/dbraw/zinc/61/54/77/500615477.db2.gz ZLRISHPPEOAFOT-LAUBAEHRSA-N 2 1 351.494 3.189 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755539 500620226 /nfs/dbraw/zinc/62/02/26/500620226.db2.gz CPHTWBSFLWUQMD-UTUOFQBUSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755539 500620230 /nfs/dbraw/zinc/62/02/30/500620230.db2.gz CPHTWBSFLWUQMD-UTUOFQBUSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764051 500622148 /nfs/dbraw/zinc/62/21/48/500622148.db2.gz DWVFYQSSTDUKQV-NWDGAFQWSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764051 500622152 /nfs/dbraw/zinc/62/21/52/500622152.db2.gz DWVFYQSSTDUKQV-NWDGAFQWSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1Br ZINC000442869533 500637314 /nfs/dbraw/zinc/63/73/14/500637314.db2.gz BOPPAJLUGFTCHP-AWEZNQCLSA-N 2 1 354.336 3.126 20 0 FGADMP CCn1nccc1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433166866 500638250 /nfs/dbraw/zinc/63/82/50/500638250.db2.gz YNTKVSRXNNEDTL-UHFFFAOYSA-N 2 1 352.526 3.434 20 0 FGADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000433179036 500639984 /nfs/dbraw/zinc/63/99/84/500639984.db2.gz XHPJWDMLBVBBFF-RBUKOAKNSA-N 2 1 371.550 3.195 20 0 FGADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000433179036 500639985 /nfs/dbraw/zinc/63/99/85/500639985.db2.gz XHPJWDMLBVBBFF-RBUKOAKNSA-N 2 1 371.550 3.195 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000437515964 500653726 /nfs/dbraw/zinc/65/37/26/500653726.db2.gz GUPPMJCMYSXYRC-IBGZPJMESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000437515964 500653729 /nfs/dbraw/zinc/65/37/29/500653729.db2.gz GUPPMJCMYSXYRC-IBGZPJMESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000437515964 500653732 /nfs/dbraw/zinc/65/37/32/500653732.db2.gz GUPPMJCMYSXYRC-IBGZPJMESA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ncc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000433301942 500666522 /nfs/dbraw/zinc/66/65/22/500666522.db2.gz HLZWZNZWKIDSPZ-TXEJJXNPSA-N 2 1 351.438 3.141 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000437701448 500683655 /nfs/dbraw/zinc/68/36/55/500683655.db2.gz FSOKTZZUBZOUGS-XLIONFOSSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000437701448 500683657 /nfs/dbraw/zinc/68/36/57/500683657.db2.gz FSOKTZZUBZOUGS-XLIONFOSSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000437701448 500683662 /nfs/dbraw/zinc/68/36/62/500683662.db2.gz FSOKTZZUBZOUGS-XLIONFOSSA-N 2 1 362.562 3.100 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433560213 500712630 /nfs/dbraw/zinc/71/26/30/500712630.db2.gz LCVZDCFZKWYVKR-NRFANRHFSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433560213 500712632 /nfs/dbraw/zinc/71/26/32/500712632.db2.gz LCVZDCFZKWYVKR-NRFANRHFSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433560213 500712634 /nfs/dbraw/zinc/71/26/34/500712634.db2.gz LCVZDCFZKWYVKR-NRFANRHFSA-N 2 1 372.557 3.343 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000437994915 500726289 /nfs/dbraw/zinc/72/62/89/500726289.db2.gz CTTGASZMHAHIMO-PXNSSMCTSA-N 2 1 369.513 3.059 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000437994915 500726291 /nfs/dbraw/zinc/72/62/91/500726291.db2.gz CTTGASZMHAHIMO-PXNSSMCTSA-N 2 1 369.513 3.059 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000443639628 500748273 /nfs/dbraw/zinc/74/82/73/500748273.db2.gz GVEIIALLUFNWCR-QFBILLFUSA-N 2 1 369.475 3.472 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000438185329 500752050 /nfs/dbraw/zinc/75/20/50/500752050.db2.gz CKVRAMAWGIDMRP-KSZLIROESA-N 2 1 356.432 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000438185329 500752052 /nfs/dbraw/zinc/75/20/52/500752052.db2.gz CKVRAMAWGIDMRP-KSZLIROESA-N 2 1 356.432 3.334 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438213210 500755714 /nfs/dbraw/zinc/75/57/14/500755714.db2.gz IRCMORKNJMHTBW-IRLDBZIGSA-N 2 1 357.542 3.029 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3nccn3C)CC2)C1 ZINC000433952222 500770789 /nfs/dbraw/zinc/77/07/89/500770789.db2.gz WKDCSDTVZBADIT-LMCOJAPRSA-N 2 1 360.546 3.273 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C[C@@H]1C ZINC000438328862 500770871 /nfs/dbraw/zinc/77/08/71/500770871.db2.gz UNDIWTDWVSRLQW-IHPCNDPISA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1C ZINC000438328862 500770873 /nfs/dbraw/zinc/77/08/73/500770873.db2.gz UNDIWTDWVSRLQW-IHPCNDPISA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@@H]1C ZINC000438328862 500770876 /nfs/dbraw/zinc/77/08/76/500770876.db2.gz UNDIWTDWVSRLQW-IHPCNDPISA-N 2 1 364.578 3.298 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCc2ccccc2C1 ZINC000438559655 500801567 /nfs/dbraw/zinc/80/15/67/500801567.db2.gz RVSHGZZPMSCDKL-NRFANRHFSA-N 2 1 369.553 3.347 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000438559655 500801570 /nfs/dbraw/zinc/80/15/70/500801570.db2.gz RVSHGZZPMSCDKL-NRFANRHFSA-N 2 1 369.553 3.347 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000438559655 500801574 /nfs/dbraw/zinc/80/15/74/500801574.db2.gz RVSHGZZPMSCDKL-NRFANRHFSA-N 2 1 369.553 3.347 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189674 500808758 /nfs/dbraw/zinc/80/87/58/500808758.db2.gz OFSMSPGCJFIHLZ-FUHWJXTLSA-N 2 1 363.571 3.043 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000439215968 500870640 /nfs/dbraw/zinc/87/06/40/500870640.db2.gz NUFWADJQUXYYQM-WJMWBRGCSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000439215968 500870641 /nfs/dbraw/zinc/87/06/41/500870641.db2.gz NUFWADJQUXYYQM-WJMWBRGCSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000439215968 500870642 /nfs/dbraw/zinc/87/06/42/500870642.db2.gz NUFWADJQUXYYQM-WJMWBRGCSA-N 2 1 370.541 3.090 20 0 FGADMP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000588177932 506221659 /nfs/dbraw/zinc/22/16/59/506221659.db2.gz WBXBKTGGRAYNBY-MNDPQUGUSA-N 2 1 363.505 3.267 20 0 FGADMP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682703 500878985 /nfs/dbraw/zinc/87/89/85/500878985.db2.gz DCEWTIQEIHXXEE-FGTMMUONSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H](C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090899 500923098 /nfs/dbraw/zinc/92/30/98/500923098.db2.gz HZVXWQILHGHQAO-SJORKVTESA-N 2 1 366.571 3.294 20 0 FGADMP C[C@@H](C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090899 500923099 /nfs/dbraw/zinc/92/30/99/500923099.db2.gz HZVXWQILHGHQAO-SJORKVTESA-N 2 1 366.571 3.294 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449107442 500926578 /nfs/dbraw/zinc/92/65/78/500926578.db2.gz MQBFANNUHMGSKQ-LVCYWYKZSA-N 2 1 358.526 3.487 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000435367917 500960734 /nfs/dbraw/zinc/96/07/34/500960734.db2.gz BSVGDJHDZMFAOD-NSHDSACASA-N 2 1 354.285 3.133 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373663 500962120 /nfs/dbraw/zinc/96/21/20/500962120.db2.gz NWZLTAQILDHRET-HKUYNNGSSA-N 2 1 361.493 3.163 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000435375227 500962601 /nfs/dbraw/zinc/96/26/01/500962601.db2.gz UHBXPMCCKBKREK-JKSUJKDBSA-N 2 1 356.514 3.483 20 0 FGADMP C[C@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC000435377423 500963027 /nfs/dbraw/zinc/96/30/27/500963027.db2.gz BHCNHDJQNWBMTA-GUYCJALGSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC000435377423 500963031 /nfs/dbraw/zinc/96/30/31/500963031.db2.gz BHCNHDJQNWBMTA-GUYCJALGSA-N 2 1 352.404 3.119 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCc1ccccc1 ZINC000435380880 500963803 /nfs/dbraw/zinc/96/38/03/500963803.db2.gz UFHLABSRIJXQBO-XUVXKRRUSA-N 2 1 352.478 3.443 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000449282635 500965502 /nfs/dbraw/zinc/96/55/02/500965502.db2.gz IJNWCWXCPZEZPR-IBGZPJMESA-N 2 1 371.569 3.320 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435389027 500965850 /nfs/dbraw/zinc/96/58/50/500965850.db2.gz KIGMFVASVNMKGC-RRFJBIMHSA-N 2 1 358.404 3.196 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@H]12 ZINC000435388522 500966028 /nfs/dbraw/zinc/96/60/28/500966028.db2.gz GFSUICBKYQVASS-NKGKWGDASA-N 2 1 350.890 3.067 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@H]12 ZINC000435388522 500966031 /nfs/dbraw/zinc/96/60/31/500966031.db2.gz GFSUICBKYQVASS-NKGKWGDASA-N 2 1 350.890 3.067 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@H+](C2CC2)C1 ZINC000449344461 500982813 /nfs/dbraw/zinc/98/28/13/500982813.db2.gz CMWPUIWCDIQEDI-LJQANCHMSA-N 2 1 370.585 3.133 20 0 FGADMP C[C@H]1CN(C2CC2)CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449344461 500982818 /nfs/dbraw/zinc/98/28/18/500982818.db2.gz CMWPUIWCDIQEDI-LJQANCHMSA-N 2 1 370.585 3.133 20 0 FGADMP C[C@H]1CN(C2CC2)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449344461 500982820 /nfs/dbraw/zinc/98/28/20/500982820.db2.gz CMWPUIWCDIQEDI-LJQANCHMSA-N 2 1 370.585 3.133 20 0 FGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343928 500983075 /nfs/dbraw/zinc/98/30/75/500983075.db2.gz OFTDTODFEITDIE-HOJAQTOUSA-N 2 1 360.567 3.256 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165715 500983516 /nfs/dbraw/zinc/98/35/16/500983516.db2.gz UXHINKHLIFYTMY-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165715 500983519 /nfs/dbraw/zinc/98/35/19/500983519.db2.gz UXHINKHLIFYTMY-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000440171720 500984054 /nfs/dbraw/zinc/98/40/54/500984054.db2.gz BJIBQKZUIBXWJW-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000440171720 500984057 /nfs/dbraw/zinc/98/40/57/500984057.db2.gz BJIBQKZUIBXWJW-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000440171720 500984061 /nfs/dbraw/zinc/98/40/61/500984061.db2.gz BJIBQKZUIBXWJW-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000440178834 500984390 /nfs/dbraw/zinc/98/43/90/500984390.db2.gz MOUMNRBNBVOMCD-HXUWFJFHSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631070 501005543 /nfs/dbraw/zinc/00/55/43/501005543.db2.gz ZSTQNFLJSVCZAK-LAUBAEHRSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631070 501005547 /nfs/dbraw/zinc/00/55/47/501005547.db2.gz ZSTQNFLJSVCZAK-LAUBAEHRSA-N 2 1 353.510 3.481 20 0 FGADMP Cc1ccccc1OCCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691654 501012548 /nfs/dbraw/zinc/01/25/48/501012548.db2.gz HHZUHYYCXHMQSG-HXUWFJFHSA-N 2 1 368.525 3.142 20 0 FGADMP Cc1ccccc1OCCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691654 501012553 /nfs/dbraw/zinc/01/25/53/501012553.db2.gz HHZUHYYCXHMQSG-HXUWFJFHSA-N 2 1 368.525 3.142 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500312 501018477 /nfs/dbraw/zinc/01/84/77/501018477.db2.gz MZLBCKYCQBWOBP-OAQYLSRUSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500312 501018479 /nfs/dbraw/zinc/01/84/79/501018479.db2.gz MZLBCKYCQBWOBP-OAQYLSRUSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500312 501018481 /nfs/dbraw/zinc/01/84/81/501018481.db2.gz MZLBCKYCQBWOBP-OAQYLSRUSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500312 501018483 /nfs/dbraw/zinc/01/84/83/501018483.db2.gz MZLBCKYCQBWOBP-OAQYLSRUSA-N 2 1 363.590 3.469 20 0 FGADMP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@H]2CC[N@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548439 501030782 /nfs/dbraw/zinc/03/07/82/501030782.db2.gz NHYRWEMDCXTTIW-ULQDDVLXSA-N 2 1 372.463 3.360 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560093 501033944 /nfs/dbraw/zinc/03/39/44/501033944.db2.gz FXZFNAFNNBBWDG-OOKSDGMUSA-N 2 1 369.509 3.056 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000445808984 501034765 /nfs/dbraw/zinc/03/47/65/501034765.db2.gz FBZGYNKKPUAUTR-UHFFFAOYSA-N 2 1 374.504 3.334 20 0 FGADMP CN(C)c1cc(NCc2ncc(C[NH+](C)C)s2)[nH+]cc1Br ZINC000449649394 501049894 /nfs/dbraw/zinc/04/98/94/501049894.db2.gz RYKOODCCABGEDU-UHFFFAOYSA-N 2 1 370.320 3.040 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449674876 501059013 /nfs/dbraw/zinc/05/90/13/501059013.db2.gz XIAGZHLNJGAETL-IRXDYDNUSA-N 2 1 358.448 3.390 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449674876 501059017 /nfs/dbraw/zinc/05/90/17/501059017.db2.gz XIAGZHLNJGAETL-IRXDYDNUSA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449674876 501059019 /nfs/dbraw/zinc/05/90/19/501059019.db2.gz XIAGZHLNJGAETL-IRXDYDNUSA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000449674876 501059021 /nfs/dbraw/zinc/05/90/21/501059021.db2.gz XIAGZHLNJGAETL-IRXDYDNUSA-N 2 1 358.448 3.390 20 0 FGADMP C[C@@H](c1ccco1)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000440903258 501061303 /nfs/dbraw/zinc/06/13/03/501061303.db2.gz LNCOGYWTYILTPV-SFHVURJKSA-N 2 1 367.493 3.149 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000436304167 501104510 /nfs/dbraw/zinc/10/45/10/501104510.db2.gz CZHTVIMZROYFNT-CRSSMBPESA-N 2 1 356.510 3.218 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1)C1CC1 ZINC000441276334 501112697 /nfs/dbraw/zinc/11/26/97/501112697.db2.gz HIOVKFCIONKMDJ-ROUUACIJSA-N 2 1 357.542 3.265 20 0 FGADMP CCC1(CC)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000446716460 501155520 /nfs/dbraw/zinc/15/55/20/501155520.db2.gz ZSPIZNULHLXWHV-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP CC(C)CCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062876 501168797 /nfs/dbraw/zinc/16/87/97/501168797.db2.gz WFZGDDJLOLNASU-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000446843090 501172394 /nfs/dbraw/zinc/17/23/94/501172394.db2.gz JPDCCSKPUHIDOB-OAQYLSRUSA-N 2 1 360.542 3.462 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774507 506238854 /nfs/dbraw/zinc/23/88/54/506238854.db2.gz UYPMPVDUALIRMI-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592774507 506238863 /nfs/dbraw/zinc/23/88/63/506238863.db2.gz UYPMPVDUALIRMI-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592774507 506238871 /nfs/dbraw/zinc/23/88/71/506238871.db2.gz UYPMPVDUALIRMI-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC000611636986 506239363 /nfs/dbraw/zinc/23/93/63/506239363.db2.gz LTVGTYMPYKHDGF-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447051275 501197589 /nfs/dbraw/zinc/19/75/89/501197589.db2.gz SFQGDXICIKQZGE-UHFFFAOYSA-N 2 1 372.557 3.071 20 0 FGADMP OCC[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H]2CCO)c1 ZINC000450801229 501211295 /nfs/dbraw/zinc/21/12/95/501211295.db2.gz YXCUPDRKLAMNQU-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP OCC[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000450801229 501211297 /nfs/dbraw/zinc/21/12/97/501211297.db2.gz YXCUPDRKLAMNQU-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP OCC[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000450801229 501211301 /nfs/dbraw/zinc/21/13/01/501211301.db2.gz YXCUPDRKLAMNQU-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1Cl ZINC000450265548 501222337 /nfs/dbraw/zinc/22/23/37/501222337.db2.gz XYVUFAGBHAESEW-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1F)C[C@@H]1CCCO1 ZINC000450271182 501223253 /nfs/dbraw/zinc/22/32/53/501223253.db2.gz PPLYMVCSNYUQKV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1F)C[C@@H]1CCCO1 ZINC000450271182 501223255 /nfs/dbraw/zinc/22/32/55/501223255.db2.gz PPLYMVCSNYUQKV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000450271182 501223257 /nfs/dbraw/zinc/22/32/57/501223257.db2.gz PPLYMVCSNYUQKV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000450271182 501223258 /nfs/dbraw/zinc/22/32/58/501223258.db2.gz PPLYMVCSNYUQKV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453097633 501268146 /nfs/dbraw/zinc/26/81/46/501268146.db2.gz USWPXDQVIYQCTO-VSKRKVRLSA-N 2 1 355.526 3.030 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)C1 ZINC000453109353 501271057 /nfs/dbraw/zinc/27/10/57/501271057.db2.gz MHVYLSILEQZIHO-SFTDATJTSA-N 2 1 355.526 3.052 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)c1 ZINC000457652765 501278268 /nfs/dbraw/zinc/27/82/68/501278268.db2.gz AVXDANCKCVMDTQ-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn[nH]c1 ZINC000453158694 501281467 /nfs/dbraw/zinc/28/14/67/501281467.db2.gz BTLGMPHFPJHVGS-KSZLIROESA-N 2 1 356.514 3.270 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453213263 501292770 /nfs/dbraw/zinc/29/27/70/501292770.db2.gz MHXMGFDNGYZNST-BDTNDASRSA-N 2 1 368.525 3.062 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453213263 501292773 /nfs/dbraw/zinc/29/27/73/501292773.db2.gz MHXMGFDNGYZNST-BDTNDASRSA-N 2 1 368.525 3.062 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219739 501293983 /nfs/dbraw/zinc/29/39/83/501293983.db2.gz TVTRVTKXXFPRFX-ROUUACIJSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219739 501293984 /nfs/dbraw/zinc/29/39/84/501293984.db2.gz TVTRVTKXXFPRFX-ROUUACIJSA-N 2 1 356.514 3.239 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453234865 501296235 /nfs/dbraw/zinc/29/62/35/501296235.db2.gz XECXJBMXLVESJT-NNWRFLSQSA-N 2 1 350.510 3.360 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000582481202 506245611 /nfs/dbraw/zinc/24/56/11/506245611.db2.gz IHVNILFLKWBFFZ-WMZOPIPTSA-N 2 1 354.922 3.324 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000453331355 501316009 /nfs/dbraw/zinc/31/60/09/501316009.db2.gz FGHZKEUDQVEFRL-PBVWOCPUSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1 ZINC000453331355 501316010 /nfs/dbraw/zinc/31/60/10/501316010.db2.gz FGHZKEUDQVEFRL-PBVWOCPUSA-N 2 1 368.525 3.140 20 0 FGADMP CCc1ccc(CC[N@H+]2CCC[C@@H](CN3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537688 501316841 /nfs/dbraw/zinc/31/68/41/501316841.db2.gz RTDGIGXZIZVZCR-HSZRJFAPSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537688 501316844 /nfs/dbraw/zinc/31/68/44/501316844.db2.gz RTDGIGXZIZVZCR-HSZRJFAPSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537688 501316846 /nfs/dbraw/zinc/31/68/46/501316846.db2.gz RTDGIGXZIZVZCR-HSZRJFAPSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537688 501316849 /nfs/dbraw/zinc/31/68/49/501316849.db2.gz RTDGIGXZIZVZCR-HSZRJFAPSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537688 501316851 /nfs/dbraw/zinc/31/68/51/501316851.db2.gz RTDGIGXZIZVZCR-HSZRJFAPSA-N 2 1 371.569 3.058 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452022455 501420129 /nfs/dbraw/zinc/42/01/29/501420129.db2.gz LJWHVOTXBIACAE-ZWKOTPCHSA-N 2 1 366.431 3.202 20 0 FGADMP Cc1cc(C)c(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000454338504 501517815 /nfs/dbraw/zinc/51/78/15/501517815.db2.gz KBHXINTYQJWEAH-HXUWFJFHSA-N 2 1 352.482 3.162 20 0 FGADMP CC1(C)C[N@@H+](CC2(O)CCOCC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017280 501602083 /nfs/dbraw/zinc/60/20/83/501602083.db2.gz NALWYTFSIHEKFX-NRFANRHFSA-N 2 1 372.553 3.151 20 0 FGADMP C[N@@H+](CCCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C1CC1 ZINC000459163577 501606779 /nfs/dbraw/zinc/60/67/79/501606779.db2.gz QTKAEGHCDPEGQG-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(F)(F)CC3)CC2)CC1 ZINC000459345949 501636010 /nfs/dbraw/zinc/63/60/10/501636010.db2.gz KGPALVCHFWEAEM-UHFFFAOYSA-N 2 1 371.516 3.078 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824979 501637963 /nfs/dbraw/zinc/63/79/63/501637963.db2.gz SLLKGQOSZDLZPK-ATZDWAIDSA-N 2 1 367.497 3.099 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459410963 501649242 /nfs/dbraw/zinc/64/92/42/501649242.db2.gz PMGARKDNNXRYJM-KXBFYZLASA-N 2 1 352.482 3.060 20 0 FGADMP CCN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000459474527 501659861 /nfs/dbraw/zinc/65/98/61/501659861.db2.gz YATCQRJWSCEFRF-ICSRJNTNSA-N 2 1 367.459 3.456 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C[C@H](C)[N@@H+]1C ZINC000454980957 501666418 /nfs/dbraw/zinc/66/64/18/501666418.db2.gz DAZVUNOAGKFSCJ-HDICACEKSA-N 2 1 374.529 3.108 20 0 FGADMP Fc1ccc(-c2cn3c(n2)CC[C@@H]([NH2+]C2CC[NH+](C4CC4)CC2)C3)c(F)c1 ZINC000459578183 501680043 /nfs/dbraw/zinc/68/00/43/501680043.db2.gz XLEJBDLZBPVIMZ-MRXNPFEDSA-N 2 1 372.463 3.360 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455116647 501691020 /nfs/dbraw/zinc/69/10/20/501691020.db2.gz NFGUBSIUPFHYDS-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000455116647 501691023 /nfs/dbraw/zinc/69/10/23/501691023.db2.gz NFGUBSIUPFHYDS-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459686197 501699021 /nfs/dbraw/zinc/69/90/21/501699021.db2.gz VKZDBIQCMMHEHV-WOZUAGRISA-N 2 1 374.569 3.159 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@H]2COC[C@@H]21)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686197 501699023 /nfs/dbraw/zinc/69/90/23/501699023.db2.gz VKZDBIQCMMHEHV-WOZUAGRISA-N 2 1 374.569 3.159 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@H]2COC[C@@H]21)CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686197 501699025 /nfs/dbraw/zinc/69/90/25/501699025.db2.gz VKZDBIQCMMHEHV-WOZUAGRISA-N 2 1 374.569 3.159 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464572 501703830 /nfs/dbraw/zinc/70/38/30/501703830.db2.gz VXCMBWSDHOMTQW-WOJBJXKFSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H](c1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000457535403 501718227 /nfs/dbraw/zinc/71/82/27/501718227.db2.gz DBKRNGXITREQGY-QGZVFWFLSA-N 2 1 371.525 3.283 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000457545737 501719409 /nfs/dbraw/zinc/71/94/09/501719409.db2.gz YGXPXTMOGSDGJA-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631931 501779602 /nfs/dbraw/zinc/77/96/02/501779602.db2.gz WICNQLXOYSUWLP-LJQANCHMSA-N 2 1 373.541 3.106 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000467384282 501782686 /nfs/dbraw/zinc/78/26/86/501782686.db2.gz WMMPVMWJZJFWGV-UARRHKHWSA-N 2 1 364.533 3.399 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470726052 501782942 /nfs/dbraw/zinc/78/29/42/501782942.db2.gz KIMCGVFZCKEQGP-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470726052 501782948 /nfs/dbraw/zinc/78/29/48/501782948.db2.gz KIMCGVFZCKEQGP-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470726052 501782953 /nfs/dbraw/zinc/78/29/53/501782953.db2.gz KIMCGVFZCKEQGP-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2C)cc1 ZINC000463741550 501808960 /nfs/dbraw/zinc/80/89/60/501808960.db2.gz LTJSCOCWZIDZRS-LJQANCHMSA-N 2 1 368.525 3.131 20 0 FGADMP CC1CCN(Cc2csc(NC(=O)C[N@H+]3CCCC[C@H](C)C3)n2)CC1 ZINC000481607029 501830226 /nfs/dbraw/zinc/83/02/26/501830226.db2.gz JYFNUZWNJSUVDE-INIZCTEOSA-N 2 1 364.559 3.436 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655232 501887228 /nfs/dbraw/zinc/88/72/28/501887228.db2.gz KZKQFCMXZHGGRN-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460655232 501887232 /nfs/dbraw/zinc/88/72/32/501887232.db2.gz KZKQFCMXZHGGRN-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460655232 501887236 /nfs/dbraw/zinc/88/72/36/501887236.db2.gz KZKQFCMXZHGGRN-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707711 501928358 /nfs/dbraw/zinc/92/83/58/501928358.db2.gz DJNSIDTZIJEDEF-APIJFGDWSA-N 2 1 369.962 3.071 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707712 501928638 /nfs/dbraw/zinc/92/86/38/501928638.db2.gz DJNSIDTZIJEDEF-CBBWQLFWSA-N 2 1 369.962 3.071 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000468029098 501934410 /nfs/dbraw/zinc/93/44/10/501934410.db2.gz JVRHHFVPIVIDJM-FXAWDEMLSA-N 2 1 371.529 3.256 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787948 501937250 /nfs/dbraw/zinc/93/72/50/501937250.db2.gz QQVVJCACVGHVAW-WBVHZDCISA-N 2 1 367.497 3.113 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019223 501949212 /nfs/dbraw/zinc/94/92/12/501949212.db2.gz MILMYAUOFRYNTR-PWRODBHTSA-N 2 1 373.541 3.210 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019223 501949215 /nfs/dbraw/zinc/94/92/15/501949215.db2.gz MILMYAUOFRYNTR-PWRODBHTSA-N 2 1 373.541 3.210 20 0 FGADMP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000485883483 501975466 /nfs/dbraw/zinc/97/54/66/501975466.db2.gz NXOWYILBFBATHR-NQIIRXRSSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891761 501978407 /nfs/dbraw/zinc/97/84/07/501978407.db2.gz BXTNBQCWYAZTTM-XLIONFOSSA-N 2 1 351.494 3.314 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113378 501979209 /nfs/dbraw/zinc/97/92/09/501979209.db2.gz JTRGQPXXEWVJGO-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000482132850 501984403 /nfs/dbraw/zinc/98/44/03/501984403.db2.gz IPDMCLSLBDXWCH-XLIONFOSSA-N 2 1 374.529 3.074 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000482135363 501985424 /nfs/dbraw/zinc/98/54/24/501985424.db2.gz DPVWMUJMSWKTEO-KSSFIOAISA-N 2 1 353.457 3.394 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000482165631 501995184 /nfs/dbraw/zinc/99/51/84/501995184.db2.gz RPNVKONBCPJFAY-HDICACEKSA-N 2 1 374.525 3.185 20 0 FGADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000474944281 502000429 /nfs/dbraw/zinc/00/04/29/502000429.db2.gz PQFSWJVIUHJSJI-JOCHJYFZSA-N 2 1 353.510 3.069 20 0 FGADMP CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000471372731 502002511 /nfs/dbraw/zinc/00/25/11/502002511.db2.gz HZUZPHOJQQLEFF-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)nn1C ZINC000461098627 502013088 /nfs/dbraw/zinc/01/30/88/502013088.db2.gz PKWRGFIDJGNHJT-CEWLAPEOSA-N 2 1 368.525 3.127 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)nn1C ZINC000461098627 502013091 /nfs/dbraw/zinc/01/30/91/502013091.db2.gz PKWRGFIDJGNHJT-CEWLAPEOSA-N 2 1 368.525 3.127 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474995603 502015561 /nfs/dbraw/zinc/01/55/61/502015561.db2.gz ZQVHHOALRSWELN-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474995603 502015566 /nfs/dbraw/zinc/01/55/66/502015566.db2.gz ZQVHHOALRSWELN-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)CCN(C(=O)NCCC[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000468322394 502024723 /nfs/dbraw/zinc/02/47/23/502024723.db2.gz HSKCWZJXILBRBF-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642190 506291732 /nfs/dbraw/zinc/29/17/32/506291732.db2.gz ZMDWTKDRQLMDQT-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468483695 502075644 /nfs/dbraw/zinc/07/56/44/502075644.db2.gz LJMVLVBGBXLUPR-QFIPXVFZSA-N 2 1 363.505 3.173 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000468483695 502075650 /nfs/dbraw/zinc/07/56/50/502075650.db2.gz LJMVLVBGBXLUPR-QFIPXVFZSA-N 2 1 363.505 3.173 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642190 506291736 /nfs/dbraw/zinc/29/17/36/506291736.db2.gz ZMDWTKDRQLMDQT-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000588642190 506291740 /nfs/dbraw/zinc/29/17/40/506291740.db2.gz ZMDWTKDRQLMDQT-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000588642190 506291745 /nfs/dbraw/zinc/29/17/45/506291745.db2.gz ZMDWTKDRQLMDQT-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170323 502088451 /nfs/dbraw/zinc/08/84/51/502088451.db2.gz CGTKTFXKCATMID-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475179872 502091159 /nfs/dbraw/zinc/09/11/59/502091159.db2.gz XTDZAVKFHDEGFX-HKBOAZHASA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464793001 502098106 /nfs/dbraw/zinc/09/81/06/502098106.db2.gz ZKRCJINVUGWDSJ-UYAOXDASSA-N 2 1 362.558 3.306 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464793001 502098109 /nfs/dbraw/zinc/09/81/09/502098109.db2.gz ZKRCJINVUGWDSJ-UYAOXDASSA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464793001 502098114 /nfs/dbraw/zinc/09/81/14/502098114.db2.gz ZKRCJINVUGWDSJ-UYAOXDASSA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464793001 502098117 /nfs/dbraw/zinc/09/81/17/502098117.db2.gz ZKRCJINVUGWDSJ-UYAOXDASSA-N 2 1 362.558 3.306 20 0 FGADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265188 502104988 /nfs/dbraw/zinc/10/49/88/502104988.db2.gz GCGIFQABBHVMDU-SIKLNZKXSA-N 2 1 371.569 3.035 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000464953619 502155048 /nfs/dbraw/zinc/15/50/48/502155048.db2.gz PJBJNCQKOBNCFI-GUDVDZBRSA-N 2 1 366.594 3.020 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000486481610 502166420 /nfs/dbraw/zinc/16/64/20/502166420.db2.gz JLSKCJNILAMVLY-HXUWFJFHSA-N 2 1 351.494 3.143 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486532913 502183055 /nfs/dbraw/zinc/18/30/55/502183055.db2.gz GHRAAAUHTLSYRL-YLJYHZDGSA-N 2 1 361.493 3.472 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486532913 502183059 /nfs/dbraw/zinc/18/30/59/502183059.db2.gz GHRAAAUHTLSYRL-YLJYHZDGSA-N 2 1 361.493 3.472 20 0 FGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCCO2 ZINC000482861479 502200379 /nfs/dbraw/zinc/20/03/79/502200379.db2.gz BVYXCKHRBMMLFB-FQEVSTJZSA-N 2 1 373.541 3.049 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000461799545 502206701 /nfs/dbraw/zinc/20/67/01/502206701.db2.gz QABUDIRPPLPJRE-UFYCRDLUSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000461799545 502206706 /nfs/dbraw/zinc/20/67/06/502206706.db2.gz QABUDIRPPLPJRE-UFYCRDLUSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000461799545 502206710 /nfs/dbraw/zinc/20/67/10/502206710.db2.gz QABUDIRPPLPJRE-UFYCRDLUSA-N 2 1 366.594 3.403 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000472066955 502216976 /nfs/dbraw/zinc/21/69/76/502216976.db2.gz ZKIPGQYFXJIMLF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000468887982 502218107 /nfs/dbraw/zinc/21/81/07/502218107.db2.gz HUKOQVHHJIOMEM-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000468887982 502218111 /nfs/dbraw/zinc/21/81/11/502218111.db2.gz HUKOQVHHJIOMEM-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472072555 502219677 /nfs/dbraw/zinc/21/96/77/502219677.db2.gz FIFVAWOVIZMDPE-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000472129376 502242523 /nfs/dbraw/zinc/24/25/23/502242523.db2.gz BCTCQVRABMIQLJ-FGTMMUONSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000479436779 502259353 /nfs/dbraw/zinc/25/93/53/502259353.db2.gz KUGHCOFKFYCLGJ-JEBQAFNWSA-N 2 1 367.331 3.119 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436779 502259356 /nfs/dbraw/zinc/25/93/56/502259356.db2.gz KUGHCOFKFYCLGJ-JEBQAFNWSA-N 2 1 367.331 3.119 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000475731231 502268336 /nfs/dbraw/zinc/26/83/36/502268336.db2.gz DAXFCJYHWYKNQF-HOJAQTOUSA-N 2 1 371.569 3.442 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000462018074 502275373 /nfs/dbraw/zinc/27/53/73/502275373.db2.gz YOBWZIDVVLTGHJ-BGYRXZFFSA-N 2 1 357.542 3.026 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000462018074 502275379 /nfs/dbraw/zinc/27/53/79/502275379.db2.gz YOBWZIDVVLTGHJ-BGYRXZFFSA-N 2 1 357.542 3.026 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462018074 502275381 /nfs/dbraw/zinc/27/53/81/502275381.db2.gz YOBWZIDVVLTGHJ-BGYRXZFFSA-N 2 1 357.542 3.026 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462015521 502275612 /nfs/dbraw/zinc/27/56/12/502275612.db2.gz QABUDIRPPLPJRE-AABGKKOBSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462015521 502275614 /nfs/dbraw/zinc/27/56/14/502275614.db2.gz QABUDIRPPLPJRE-AABGKKOBSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462015521 502275616 /nfs/dbraw/zinc/27/56/16/502275616.db2.gz QABUDIRPPLPJRE-AABGKKOBSA-N 2 1 366.594 3.403 20 0 FGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000479547510 502293369 /nfs/dbraw/zinc/29/33/69/502293369.db2.gz UXQODPKPYCKKIU-GHTZIAJQSA-N 2 1 355.526 3.156 20 0 FGADMP CCc1ccc(-c2noc(C[N@H+]3CC[C@H](OCC[NH+](CC)CC)C3)n2)cc1 ZINC000472285882 502299116 /nfs/dbraw/zinc/29/91/16/502299116.db2.gz LCKRKDIIYQEIKG-IBGZPJMESA-N 2 1 372.513 3.232 20 0 FGADMP CCc1ccc(-c2noc(C[N@@H+]3CC[C@H](OCC[NH+](CC)CC)C3)n2)cc1 ZINC000472285882 502299118 /nfs/dbraw/zinc/29/91/18/502299118.db2.gz LCKRKDIIYQEIKG-IBGZPJMESA-N 2 1 372.513 3.232 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544393 502300634 /nfs/dbraw/zinc/30/06/34/502300634.db2.gz OKWWFJXCNKSNLT-HSALFYBXSA-N 2 1 364.578 3.011 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000483176027 502303487 /nfs/dbraw/zinc/30/34/87/502303487.db2.gz JKXGSEYVWPLUHJ-NQIIRXRSSA-N 3 1 374.573 3.085 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(Br)cnn2C)C1 ZINC000486966750 502318509 /nfs/dbraw/zinc/31/85/09/502318509.db2.gz LSBHIQKPOHLNST-OKILXGFUSA-N 2 1 357.340 3.030 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000479645360 502330650 /nfs/dbraw/zinc/33/06/50/502330650.db2.gz IIGCMOIPTQJLIT-FQEVSTJZSA-N 2 1 366.594 3.406 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000472444486 502353771 /nfs/dbraw/zinc/35/37/71/502353771.db2.gz AVSPZGKDLWSZOT-HXUWFJFHSA-N 2 1 374.573 3.067 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000465747690 502368555 /nfs/dbraw/zinc/36/85/55/502368555.db2.gz HNCILGIWFXBYBL-NQIIRXRSSA-N 2 1 372.557 3.243 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000472600103 502398341 /nfs/dbraw/zinc/39/83/41/502398341.db2.gz XKQWHIVLAIFJEV-WOJBJXKFSA-N 2 1 353.595 3.318 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690847 506311603 /nfs/dbraw/zinc/31/16/03/506311603.db2.gz JPPOZVPIAJDHQV-VXKWHMMOSA-N 2 1 356.485 3.326 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690847 506311607 /nfs/dbraw/zinc/31/16/07/506311607.db2.gz JPPOZVPIAJDHQV-VXKWHMMOSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690847 506311611 /nfs/dbraw/zinc/31/16/11/506311611.db2.gz JPPOZVPIAJDHQV-VXKWHMMOSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690847 506311615 /nfs/dbraw/zinc/31/16/15/506311615.db2.gz JPPOZVPIAJDHQV-VXKWHMMOSA-N 2 1 356.485 3.326 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000469433664 502416351 /nfs/dbraw/zinc/41/63/51/502416351.db2.gz HAFBNRAVDWZWBP-NQIIRXRSSA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000469433664 502416354 /nfs/dbraw/zinc/41/63/54/502416354.db2.gz HAFBNRAVDWZWBP-NQIIRXRSSA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000469433664 502416358 /nfs/dbraw/zinc/41/63/58/502416358.db2.gz HAFBNRAVDWZWBP-NQIIRXRSSA-N 2 1 372.557 3.093 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)cc(C)c1 ZINC000465903805 502422512 /nfs/dbraw/zinc/42/25/12/502422512.db2.gz DUQJXICTHXBUGQ-TZIWHRDSSA-N 2 1 374.573 3.422 20 0 FGADMP Fc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479968123 502432687 /nfs/dbraw/zinc/43/26/87/502432687.db2.gz YWPSPUHTRXFLPL-HDICACEKSA-N 2 1 362.452 3.330 20 0 FGADMP Fc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479968123 502432694 /nfs/dbraw/zinc/43/26/94/502432694.db2.gz YWPSPUHTRXFLPL-HDICACEKSA-N 2 1 362.452 3.330 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(CCC[NH3+])Cc3ccccc3)sc2C1 ZINC000479965596 502433048 /nfs/dbraw/zinc/43/30/48/502433048.db2.gz VYMLJTSQGKDEBK-UHFFFAOYSA-N 2 1 358.555 3.261 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000465988480 502446935 /nfs/dbraw/zinc/44/69/35/502446935.db2.gz WCJFTPBNNZXXRQ-ROUUACIJSA-N 2 1 354.583 3.259 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H]1C ZINC000483682957 502461935 /nfs/dbraw/zinc/46/19/35/502461935.db2.gz LDBCEFXRVZMFJB-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483684653 502463668 /nfs/dbraw/zinc/46/36/68/502463668.db2.gz NTPNPGLJYBWDCE-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483684653 502463676 /nfs/dbraw/zinc/46/36/76/502463676.db2.gz NTPNPGLJYBWDCE-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483684653 502463683 /nfs/dbraw/zinc/46/36/83/502463683.db2.gz NTPNPGLJYBWDCE-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473020078 502502438 /nfs/dbraw/zinc/50/24/38/502502438.db2.gz FDSFRDMRRPGLSM-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCO[C@@H]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000588709827 506317823 /nfs/dbraw/zinc/31/78/23/506317823.db2.gz DTULDVXGASFGTN-CTAFRAEOSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242325 502514759 /nfs/dbraw/zinc/51/47/59/502514759.db2.gz URQNKFVPIZIUKM-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(Cl)cn3)cn2)CC1 ZINC000480273618 502521598 /nfs/dbraw/zinc/52/15/98/502521598.db2.gz IUSXDEHGPYWZNJ-HNNXBMFYSA-N 2 1 359.905 3.123 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000473183802 502538738 /nfs/dbraw/zinc/53/87/38/502538738.db2.gz CAILLLNGQOZJGW-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000473183802 502538746 /nfs/dbraw/zinc/53/87/46/502538746.db2.gz CAILLLNGQOZJGW-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000473183802 502538753 /nfs/dbraw/zinc/53/87/53/502538753.db2.gz CAILLLNGQOZJGW-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822828 502539811 /nfs/dbraw/zinc/53/98/11/502539811.db2.gz QGQATSULXOCEFY-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822828 502539817 /nfs/dbraw/zinc/53/98/17/502539817.db2.gz QGQATSULXOCEFY-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822828 502539824 /nfs/dbraw/zinc/53/98/24/502539824.db2.gz QGQATSULXOCEFY-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@H+](CCC(=O)Nc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000484086535 502566587 /nfs/dbraw/zinc/56/65/87/502566587.db2.gz OXMZLEZHGOVXSN-UHFFFAOYSA-N 2 1 352.482 3.007 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccnc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000484086535 502566589 /nfs/dbraw/zinc/56/65/89/502566589.db2.gz OXMZLEZHGOVXSN-UHFFFAOYSA-N 2 1 352.482 3.007 20 0 FGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000462789324 502573571 /nfs/dbraw/zinc/57/35/71/502573571.db2.gz FROZFHWNJQVFGE-GOSISDBHSA-N 2 1 374.525 3.232 20 0 FGADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000462789966 502574861 /nfs/dbraw/zinc/57/48/61/502574861.db2.gz MYGRDYSLXFYDRI-UHFFFAOYSA-N 2 1 358.457 3.081 20 0 FGADMP CC(C)n1ncc2c1C[C@H]([NH2+]Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)CC2 ZINC000480469138 502577027 /nfs/dbraw/zinc/57/70/27/502577027.db2.gz PGFCWRKEHNRCIG-MRXNPFEDSA-N 2 1 373.570 3.334 20 0 FGADMP CC(C)n1ncc2c1C[C@H]([NH2+]Cc1nc3c(s1)C[N@H+](C(C)C)CC3)CC2 ZINC000480469138 502577032 /nfs/dbraw/zinc/57/70/32/502577032.db2.gz PGFCWRKEHNRCIG-MRXNPFEDSA-N 2 1 373.570 3.334 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487965480 502582210 /nfs/dbraw/zinc/58/22/10/502582210.db2.gz TWJFUHGIZCYYSZ-ZWKOTPCHSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604390 502617958 /nfs/dbraw/zinc/61/79/58/502617958.db2.gz BEFMDXKCVOWCDJ-FUHWJXTLSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604390 502617963 /nfs/dbraw/zinc/61/79/63/502617963.db2.gz BEFMDXKCVOWCDJ-FUHWJXTLSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@@H]1CN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000488172516 502646894 /nfs/dbraw/zinc/64/68/94/502646894.db2.gz BMGVQMJOYOZLCZ-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488172516 502646899 /nfs/dbraw/zinc/64/68/99/502646899.db2.gz BMGVQMJOYOZLCZ-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488172516 502646901 /nfs/dbraw/zinc/64/69/01/502646901.db2.gz BMGVQMJOYOZLCZ-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000480763951 502663992 /nfs/dbraw/zinc/66/39/92/502663992.db2.gz WZFVMFBBQASBDO-BHIFYINESA-N 2 1 367.622 3.470 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639084 502692014 /nfs/dbraw/zinc/69/20/14/502692014.db2.gz CPPHQOULIRDXIS-CMZZOHRZSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639084 502692018 /nfs/dbraw/zinc/69/20/18/502692018.db2.gz CPPHQOULIRDXIS-CMZZOHRZSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639084 502692023 /nfs/dbraw/zinc/69/20/23/502692023.db2.gz CPPHQOULIRDXIS-CMZZOHRZSA-N 2 1 370.541 3.089 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914396 502703035 /nfs/dbraw/zinc/70/30/35/502703035.db2.gz VMENRUUGWCHHAF-DENIHFKCSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914396 502703042 /nfs/dbraw/zinc/70/30/42/502703042.db2.gz VMENRUUGWCHHAF-DENIHFKCSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914398 502703375 /nfs/dbraw/zinc/70/33/75/502703375.db2.gz VMENRUUGWCHHAF-KNQAVFIVSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000480914398 502703382 /nfs/dbraw/zinc/70/33/82/502703382.db2.gz VMENRUUGWCHHAF-KNQAVFIVSA-N 2 1 365.521 3.225 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC000463143349 502706023 /nfs/dbraw/zinc/70/60/23/502706023.db2.gz NXBBBGHGYWVDSW-YMPZKCBVSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC000463143349 502706027 /nfs/dbraw/zinc/70/60/27/502706027.db2.gz NXBBBGHGYWVDSW-YMPZKCBVSA-N 2 1 373.585 3.376 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+]([C@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000463215177 502721585 /nfs/dbraw/zinc/72/15/85/502721585.db2.gz NXNTYIPSBZSMEI-HJOGWXRNSA-N 2 1 361.533 3.435 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487331 502729874 /nfs/dbraw/zinc/72/98/74/502729874.db2.gz ZIWRNIRDTCLWPM-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481025482 502731751 /nfs/dbraw/zinc/73/17/51/502731751.db2.gz PKBTWDOGQWRFKJ-AQNXPRMDSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481025482 502731754 /nfs/dbraw/zinc/73/17/54/502731754.db2.gz PKBTWDOGQWRFKJ-AQNXPRMDSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481025482 502731761 /nfs/dbraw/zinc/73/17/61/502731761.db2.gz PKBTWDOGQWRFKJ-AQNXPRMDSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000481033782 502735602 /nfs/dbraw/zinc/73/56/02/502735602.db2.gz HVDXLFVPOVCXEY-MHTWAQMVSA-N 2 1 367.622 3.470 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000481033782 502735606 /nfs/dbraw/zinc/73/56/06/502735606.db2.gz HVDXLFVPOVCXEY-MHTWAQMVSA-N 2 1 367.622 3.470 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000481033782 502735611 /nfs/dbraw/zinc/73/56/11/502735611.db2.gz HVDXLFVPOVCXEY-MHTWAQMVSA-N 2 1 367.622 3.470 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260274 502738695 /nfs/dbraw/zinc/73/86/95/502738695.db2.gz BTINZIMOXXJOMC-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269736 502740911 /nfs/dbraw/zinc/74/09/11/502740911.db2.gz CANNWFPIQWLHNY-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536960 502743823 /nfs/dbraw/zinc/74/38/23/502743823.db2.gz XRWLMGDQLQMSBD-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536960 502743824 /nfs/dbraw/zinc/74/38/24/502743824.db2.gz XRWLMGDQLQMSBD-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536960 502743828 /nfs/dbraw/zinc/74/38/28/502743828.db2.gz XRWLMGDQLQMSBD-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000488536960 502743836 /nfs/dbraw/zinc/74/38/36/502743836.db2.gz XRWLMGDQLQMSBD-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957584 502762257 /nfs/dbraw/zinc/76/22/57/502762257.db2.gz DBKUMQZGTFYFPI-DSKINZAPSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957584 502762260 /nfs/dbraw/zinc/76/22/60/502762260.db2.gz DBKUMQZGTFYFPI-DSKINZAPSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957584 502762263 /nfs/dbraw/zinc/76/22/63/502762263.db2.gz DBKUMQZGTFYFPI-DSKINZAPSA-N 2 1 370.541 3.090 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000481183293 502776117 /nfs/dbraw/zinc/77/61/17/502776117.db2.gz AWWRRHWDRZXRPV-YHELAOLJSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000481183293 502776124 /nfs/dbraw/zinc/77/61/24/502776124.db2.gz AWWRRHWDRZXRPV-YHELAOLJSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932130 502781014 /nfs/dbraw/zinc/78/10/14/502781014.db2.gz CXQAUEKCXVRZQF-SJORKVTESA-N 2 1 353.466 3.477 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000470531407 502806086 /nfs/dbraw/zinc/80/60/86/502806086.db2.gz VBWYSJYRKHVMNF-SVFBPWRDSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000470531407 502806087 /nfs/dbraw/zinc/80/60/87/502806087.db2.gz VBWYSJYRKHVMNF-SVFBPWRDSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000470531407 502806088 /nfs/dbraw/zinc/80/60/88/502806088.db2.gz VBWYSJYRKHVMNF-SVFBPWRDSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000495325095 502823780 /nfs/dbraw/zinc/82/37/80/502823780.db2.gz DJXNHHSBPWWDIY-SFHVURJKSA-N 2 1 361.530 3.011 20 0 FGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000513025616 502833839 /nfs/dbraw/zinc/83/38/39/502833839.db2.gz HZQMCQXZKDSLEN-WLGQOEQESA-N 2 1 363.933 3.276 20 0 FGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000513025616 502833843 /nfs/dbraw/zinc/83/38/43/502833843.db2.gz HZQMCQXZKDSLEN-WLGQOEQESA-N 2 1 363.933 3.276 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495669950 502857611 /nfs/dbraw/zinc/85/76/11/502857611.db2.gz QBNIAXJNDDKVKS-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000489148807 502888242 /nfs/dbraw/zinc/88/82/42/502888242.db2.gz JVFLSISWDYPNPR-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CCCCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985377 502905949 /nfs/dbraw/zinc/90/59/49/502905949.db2.gz RUJJJXWAEVAZCQ-VQTJNVASSA-N 2 1 353.595 3.318 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)C(C)C ZINC000489241865 502908600 /nfs/dbraw/zinc/90/86/00/502908600.db2.gz XTORMUXWWFAENY-GOSISDBHSA-N 2 1 352.567 3.011 20 0 FGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006845 502910573 /nfs/dbraw/zinc/91/05/73/502910573.db2.gz ITAKBEJFKPKUDI-VQTJNVASSA-N 2 1 353.595 3.318 20 0 FGADMP C[N@H+](Cc1nc(-c2ccoc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501026029 502915202 /nfs/dbraw/zinc/91/52/02/502915202.db2.gz HUMMGJIMQRCOQW-UHFFFAOYSA-N 2 1 353.426 3.073 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054757 502923252 /nfs/dbraw/zinc/92/32/52/502923252.db2.gz VBGWNIADWICTEV-LQWHRVPQSA-N 2 1 372.557 3.313 20 0 FGADMP COc1cccc([C@H]2C[C@@H](C)C[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063144 502925719 /nfs/dbraw/zinc/92/57/19/502925719.db2.gz GFZZFNHEBJMCOR-DENIHFKCSA-N 2 1 359.558 3.494 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501069428 502927101 /nfs/dbraw/zinc/92/71/01/502927101.db2.gz PJNCQKFATKEVCZ-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP COC(=O)c1cc(F)ccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501072149 502928626 /nfs/dbraw/zinc/92/86/26/502928626.db2.gz ZJTYHXNHYQOKOI-UHFFFAOYSA-N 2 1 371.456 3.356 20 0 FGADMP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1F ZINC000501244691 502965863 /nfs/dbraw/zinc/96/58/63/502965863.db2.gz KQSUBUJTJOIQLJ-SFHVURJKSA-N 2 1 364.509 3.268 20 0 FGADMP CN(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580686 502970089 /nfs/dbraw/zinc/97/00/89/502970089.db2.gz QMVQLSKBAKXBKG-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580686 502970097 /nfs/dbraw/zinc/97/00/97/502970097.db2.gz QMVQLSKBAKXBKG-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505709351 502970903 /nfs/dbraw/zinc/97/09/03/502970903.db2.gz OTVJTWCQOHJKGN-SFTDATJTSA-N 2 1 370.541 3.099 20 0 FGADMP CCc1sc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000505824856 502993734 /nfs/dbraw/zinc/99/37/34/502993734.db2.gz NBFYNEKMWRBJSW-MRXNPFEDSA-N 2 1 351.560 3.107 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000505835283 502996072 /nfs/dbraw/zinc/99/60/72/502996072.db2.gz WPUHCTARAQQJQR-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835283 502996079 /nfs/dbraw/zinc/99/60/79/502996079.db2.gz WPUHCTARAQQJQR-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835283 502996085 /nfs/dbraw/zinc/99/60/85/502996085.db2.gz WPUHCTARAQQJQR-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513672836 502997069 /nfs/dbraw/zinc/99/70/69/502997069.db2.gz MRURYTRNUXNNCY-NJDAHSKKSA-N 2 1 357.542 3.182 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383871 502997427 /nfs/dbraw/zinc/99/74/27/502997427.db2.gz AOUAJAXSVQRTQO-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000513696605 503002611 /nfs/dbraw/zinc/00/26/11/503002611.db2.gz BEKJBTZMDRTNLH-PVAVHDDUSA-N 2 1 350.890 3.116 20 0 FGADMP Cc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)o2)cc1 ZINC000505999668 503026899 /nfs/dbraw/zinc/02/68/99/503026899.db2.gz LKDKEGVXSWXNCQ-UHFFFAOYSA-N 2 1 353.510 3.468 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000501524358 503028615 /nfs/dbraw/zinc/02/86/15/503028615.db2.gz RCQQCZPGIWRHLJ-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000501550416 503035543 /nfs/dbraw/zinc/03/55/43/503035543.db2.gz KPQHIDYMQMMJFM-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513880580 503040782 /nfs/dbraw/zinc/04/07/82/503040782.db2.gz AAMXPQQKENHPBK-ZDUSSCGKSA-N 2 1 358.313 3.150 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513880580 503040787 /nfs/dbraw/zinc/04/07/87/503040787.db2.gz AAMXPQQKENHPBK-ZDUSSCGKSA-N 2 1 358.313 3.150 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581518 503043956 /nfs/dbraw/zinc/04/39/56/503043956.db2.gz QBDIMKDRULJGHF-NRFANRHFSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)c1ccc(-c2ncc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000489856995 503049081 /nfs/dbraw/zinc/04/90/81/503049081.db2.gz LUUJSQCQDIDLFY-IBGZPJMESA-N 2 1 370.566 3.413 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000501734501 503069326 /nfs/dbraw/zinc/06/93/26/503069326.db2.gz OLPYDSVTLYFRES-WOJBJXKFSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCC1 ZINC000501821470 503087896 /nfs/dbraw/zinc/08/78/96/503087896.db2.gz FRVIBQGVISHUNP-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336830 503094483 /nfs/dbraw/zinc/09/44/83/503094483.db2.gz NPKNONXPQKASOR-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000514138271 503096577 /nfs/dbraw/zinc/09/65/77/503096577.db2.gz MSDHRIAAQYORKI-GOSISDBHSA-N 2 1 351.494 3.168 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000498155392 503120000 /nfs/dbraw/zinc/12/00/00/503120000.db2.gz JHDYLEMHSPKNRW-MJGOQNOKSA-N 2 1 369.513 3.001 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000510527531 503135247 /nfs/dbraw/zinc/13/52/47/503135247.db2.gz XULZCXYKQBLLEZ-DZFGPLHGSA-N 2 1 353.510 3.405 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCC23CCOCC3)[C@H](c2ccccc2)C1 ZINC000502249691 503169106 /nfs/dbraw/zinc/16/91/06/503169106.db2.gz OEZVXGGLWNOFBE-FCHUYYIVSA-N 2 1 371.569 3.304 20 0 FGADMP CN(CCC[N@@H+](C)Cc1c[nH]nc1-c1cccc(Cl)c1)CC[NH+](C)C ZINC000514818408 503200838 /nfs/dbraw/zinc/20/08/38/503200838.db2.gz SGEZLOFATPSDGB-UHFFFAOYSA-N 2 1 363.937 3.045 20 0 FGADMP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980986 503229187 /nfs/dbraw/zinc/22/91/87/503229187.db2.gz RGRTXMSXHGGRQZ-FDFHNCONSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980986 503229189 /nfs/dbraw/zinc/22/91/89/503229189.db2.gz RGRTXMSXHGGRQZ-FDFHNCONSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980986 503229193 /nfs/dbraw/zinc/22/91/93/503229193.db2.gz RGRTXMSXHGGRQZ-FDFHNCONSA-N 3 1 352.526 3.472 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502574457 503229712 /nfs/dbraw/zinc/22/97/12/503229712.db2.gz JOZJOXBJMXIWRC-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490962966 503252513 /nfs/dbraw/zinc/25/25/13/503252513.db2.gz WWQPTYKXKNUUGZ-WMZHIEFXSA-N 2 1 351.538 3.340 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[N@@H+](C)CC[C@@H]3C)c2)CC1 ZINC000502763301 503266456 /nfs/dbraw/zinc/26/64/56/503266456.db2.gz OEZZHTAGTKSEOR-IBGZPJMESA-N 2 1 372.557 3.154 20 0 FGADMP O[C@H](COc1ccccc1F)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060359 503266895 /nfs/dbraw/zinc/26/68/95/503266895.db2.gz WPHCXGCSRZGJRA-OALUTQOASA-N 2 1 364.505 3.153 20 0 FGADMP O[C@H](COc1ccccc1F)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060359 503266897 /nfs/dbraw/zinc/26/68/97/503266897.db2.gz WPHCXGCSRZGJRA-OALUTQOASA-N 2 1 364.505 3.153 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000502806347 503277102 /nfs/dbraw/zinc/27/71/02/503277102.db2.gz CWHYLICFPLOPKU-FQEVSTJZSA-N 2 1 366.594 3.310 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000502874997 503295645 /nfs/dbraw/zinc/29/56/45/503295645.db2.gz HKERIHDKCPHWAB-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](C)C ZINC000502897259 503302325 /nfs/dbraw/zinc/30/23/25/503302325.db2.gz WAQAMNLDEKPFRF-DSKINZAPSA-N 2 1 372.557 3.302 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000502896558 503302459 /nfs/dbraw/zinc/30/24/59/503302459.db2.gz VNHLLXWFKZCXOJ-LJQANCHMSA-N 2 1 366.594 3.452 20 0 FGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515301583 503309776 /nfs/dbraw/zinc/30/97/76/503309776.db2.gz NFTTVHACOBNNCQ-LEWJYISDSA-N 2 1 351.494 3.022 20 0 FGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515301583 503309779 /nfs/dbraw/zinc/30/97/79/503309779.db2.gz NFTTVHACOBNNCQ-LEWJYISDSA-N 2 1 351.494 3.022 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511418876 503318286 /nfs/dbraw/zinc/31/82/86/503318286.db2.gz UWSUBCJMVGQNQO-ZSYWTGECSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418876 503318288 /nfs/dbraw/zinc/31/82/88/503318288.db2.gz UWSUBCJMVGQNQO-ZSYWTGECSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418876 503318290 /nfs/dbraw/zinc/31/82/90/503318290.db2.gz UWSUBCJMVGQNQO-ZSYWTGECSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000499085404 503330068 /nfs/dbraw/zinc/33/00/68/503330068.db2.gz SAJGZTDCMPWUAE-SFHVURJKSA-N 2 1 353.510 3.389 20 0 FGADMP COc1cccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000511530210 503338178 /nfs/dbraw/zinc/33/81/78/503338178.db2.gz GIOJHXCIYZXAGM-NYUBLWNDSA-N 2 1 373.541 3.210 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cc3ccccc3o2)CC1 ZINC000515574698 503367915 /nfs/dbraw/zinc/36/79/15/503367915.db2.gz ZVQVQBIUGVWUEM-UHFFFAOYSA-N 2 1 364.449 3.151 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C[C@H](C)O1 ZINC000507896355 503390387 /nfs/dbraw/zinc/39/03/87/503390387.db2.gz DGRMMHVZWKHPMK-FUHIMQAGSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C[C@H](C)O1 ZINC000507896355 503390390 /nfs/dbraw/zinc/39/03/90/503390390.db2.gz DGRMMHVZWKHPMK-FUHIMQAGSA-N 2 1 374.504 3.128 20 0 FGADMP c1nc([C@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)n2c1CCCC2 ZINC000503374694 503396788 /nfs/dbraw/zinc/39/67/88/503396788.db2.gz GXBYTGKJBJZZHO-IBGZPJMESA-N 2 1 369.509 3.494 20 0 FGADMP C[C@H](OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832087 503408482 /nfs/dbraw/zinc/40/84/82/503408482.db2.gz JCBUVNSPDMKEIH-CDVRGPTDSA-N 2 1 366.933 3.383 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000503485129 503418771 /nfs/dbraw/zinc/41/87/71/503418771.db2.gz GCMMYFFZEIIIKJ-QWFCFKBJSA-N 2 1 373.541 3.078 20 0 FGADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000511962981 503424014 /nfs/dbraw/zinc/42/40/14/503424014.db2.gz ZGUUVKTZMCLMRV-LJQANCHMSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)Cc1cnc(CNc2cccc(C[NH+]3CCC(CO)CC3)c2)s1 ZINC000512007245 503433801 /nfs/dbraw/zinc/43/38/01/503433801.db2.gz MYBNYUDYEJSXON-UHFFFAOYSA-N 2 1 374.554 3.021 20 0 FGADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000516045998 503437008 /nfs/dbraw/zinc/43/70/08/503437008.db2.gz GEUNPIUILIMTFZ-KZNAEPCWSA-N 2 1 370.946 3.014 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612168 503442846 /nfs/dbraw/zinc/44/28/46/503442846.db2.gz ZDPTVEJNGNIKKL-IRFCIJBXSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612168 503442850 /nfs/dbraw/zinc/44/28/50/503442850.db2.gz ZDPTVEJNGNIKKL-IRFCIJBXSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612168 503442853 /nfs/dbraw/zinc/44/28/53/503442853.db2.gz ZDPTVEJNGNIKKL-IRFCIJBXSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512061091 503446787 /nfs/dbraw/zinc/44/67/87/503446787.db2.gz XAXOTYCSEKGXPX-MRXNPFEDSA-N 2 1 362.518 3.411 20 0 FGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000493824672 503448067 /nfs/dbraw/zinc/44/80/67/503448067.db2.gz TYQNOLKDQKVPHL-RTBURBONSA-N 2 1 353.510 3.131 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000512090311 503455118 /nfs/dbraw/zinc/45/51/18/503455118.db2.gz VEUJTYJXBFAFMC-UHFFFAOYSA-N 3 1 358.555 3.207 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917844 503458026 /nfs/dbraw/zinc/45/80/26/503458026.db2.gz VHWITVMWAJJHDD-PLACYPQZSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917844 503458027 /nfs/dbraw/zinc/45/80/27/503458027.db2.gz VHWITVMWAJJHDD-PLACYPQZSA-N 2 1 358.526 3.243 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731053 503466368 /nfs/dbraw/zinc/46/63/68/503466368.db2.gz UAMLFGNCXKWVIO-PKOBYXMFSA-N 2 1 372.557 3.432 20 0 FGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000516224929 503476274 /nfs/dbraw/zinc/47/62/74/503476274.db2.gz QFECWFRFUHWKTG-OAQYLSRUSA-N 2 1 359.558 3.322 20 0 FGADMP C[C@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000494067937 503482863 /nfs/dbraw/zinc/48/28/63/503482863.db2.gz CUOWMJMGYFKGQH-UWJYYQICSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512195459 503483003 /nfs/dbraw/zinc/48/30/03/503483003.db2.gz NUGBASLNCYJXIR-WIYYLYMNSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNc2cc(CCOC)cc[nH+]2)CC1 ZINC000508500144 503506905 /nfs/dbraw/zinc/50/69/05/503506905.db2.gz FNJCIRFFCDYWJV-UHFFFAOYSA-N 2 1 368.525 3.415 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286010 503509455 /nfs/dbraw/zinc/50/94/55/503509455.db2.gz MYEPCZIYKOHFAH-QFIPXVFZSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286010 503509460 /nfs/dbraw/zinc/50/94/60/503509460.db2.gz MYEPCZIYKOHFAH-QFIPXVFZSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286010 503509465 /nfs/dbraw/zinc/50/94/65/503509465.db2.gz MYEPCZIYKOHFAH-QFIPXVFZSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013191 506376341 /nfs/dbraw/zinc/37/63/41/506376341.db2.gz VUZFXZMJPBNBGN-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013191 506376348 /nfs/dbraw/zinc/37/63/48/506376348.db2.gz VUZFXZMJPBNBGN-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000499934176 503514274 /nfs/dbraw/zinc/51/42/74/503514274.db2.gz FODDYVOTRBEJFO-UHFFFAOYSA-N 2 1 353.894 3.095 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000608013191 506376354 /nfs/dbraw/zinc/37/63/54/506376354.db2.gz VUZFXZMJPBNBGN-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000608013191 506376361 /nfs/dbraw/zinc/37/63/61/506376361.db2.gz VUZFXZMJPBNBGN-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013184 506376576 /nfs/dbraw/zinc/37/65/76/506376576.db2.gz VUZFXZMJPBNBGN-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013184 506376580 /nfs/dbraw/zinc/37/65/80/506376580.db2.gz VUZFXZMJPBNBGN-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000608013184 506376583 /nfs/dbraw/zinc/37/65/83/506376583.db2.gz VUZFXZMJPBNBGN-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000608013184 506376591 /nfs/dbraw/zinc/37/65/91/506376591.db2.gz VUZFXZMJPBNBGN-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000504177285 503535397 /nfs/dbraw/zinc/53/53/97/503535397.db2.gz PSXJUWANVXAJRJ-ZCNNSNEGSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512407563 503539902 /nfs/dbraw/zinc/53/99/02/503539902.db2.gz WMVPTGWQBPVRNQ-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512419920 503544980 /nfs/dbraw/zinc/54/49/80/503544980.db2.gz FCURAYFBQPTBOF-JOCHJYFZSA-N 2 1 365.521 3.087 20 0 FGADMP COc1cccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512419920 503544982 /nfs/dbraw/zinc/54/49/82/503544982.db2.gz FCURAYFBQPTBOF-JOCHJYFZSA-N 2 1 365.521 3.087 20 0 FGADMP C[C@@H](Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700190 503546207 /nfs/dbraw/zinc/54/62/07/503546207.db2.gz SHVUAJOZNOQXIK-UYAOXDASSA-N 2 1 366.509 3.241 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000504307542 503553303 /nfs/dbraw/zinc/55/33/03/503553303.db2.gz RKGOJWDTPAQIOE-AWEZNQCLSA-N 2 1 350.532 3.113 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000504307542 503553307 /nfs/dbraw/zinc/55/33/07/503553307.db2.gz RKGOJWDTPAQIOE-AWEZNQCLSA-N 2 1 350.532 3.113 20 0 FGADMP CC(C)[NH+]1CCc2nc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)sc2C1 ZINC000504307542 503553309 /nfs/dbraw/zinc/55/33/09/503553309.db2.gz RKGOJWDTPAQIOE-AWEZNQCLSA-N 2 1 350.532 3.113 20 0 FGADMP CC(C)[NH+]1CCc2nc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)sc2C1 ZINC000504307542 503553314 /nfs/dbraw/zinc/55/33/14/503553314.db2.gz RKGOJWDTPAQIOE-AWEZNQCLSA-N 2 1 350.532 3.113 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000500102738 503554734 /nfs/dbraw/zinc/55/47/34/503554734.db2.gz FSVVDRBVNAJEMV-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645596 503559171 /nfs/dbraw/zinc/55/91/71/503559171.db2.gz IIVMHFFSKRQYAM-PZJWPPBQSA-N 2 1 358.913 3.355 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])cc1Br ZINC000516649664 503560520 /nfs/dbraw/zinc/56/05/20/503560520.db2.gz YJYNUSWXFQMGGQ-WMLDXEAASA-N 2 1 368.319 3.357 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3ccccc3)CC2)CC1 ZINC000516876174 503606396 /nfs/dbraw/zinc/60/63/96/503606396.db2.gz PMEQSOFHEPZDSB-UHFFFAOYSA-N 2 1 357.542 3.234 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000509080353 503637167 /nfs/dbraw/zinc/63/71/67/503637167.db2.gz PWJMWACTLPKOTI-REQGOODVSA-N 2 1 358.526 3.420 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000509080353 503637170 /nfs/dbraw/zinc/63/71/70/503637170.db2.gz PWJMWACTLPKOTI-REQGOODVSA-N 2 1 358.526 3.420 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)CC1 ZINC000536666018 503668632 /nfs/dbraw/zinc/66/86/32/503668632.db2.gz ARCWIABADLZYOU-FQEVSTJZSA-N 2 1 357.542 3.000 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169701 503695963 /nfs/dbraw/zinc/69/59/63/503695963.db2.gz HTRJRDUSHXVDFU-FGTMMUONSA-N 2 1 371.529 3.116 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000527199058 503715640 /nfs/dbraw/zinc/71/56/40/503715640.db2.gz PAYDYOKMJLKPCN-QZNHQXDQSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000527199058 503715647 /nfs/dbraw/zinc/71/56/47/503715647.db2.gz PAYDYOKMJLKPCN-QZNHQXDQSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000527199058 503715651 /nfs/dbraw/zinc/71/56/51/503715651.db2.gz PAYDYOKMJLKPCN-QZNHQXDQSA-N 2 1 369.553 3.135 20 0 FGADMP CCC[NH+]1CCC(Nc2cc(NC3CC[NH+](CCC)CC3)nc(C)n2)CC1 ZINC000533101069 503731291 /nfs/dbraw/zinc/73/12/91/503731291.db2.gz XFDBEMDYJGRLFM-UHFFFAOYSA-N 2 1 374.577 3.358 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000536845938 503737839 /nfs/dbraw/zinc/73/78/39/503737839.db2.gz NGVFMQGZKOSZFR-JYPHPWERSA-N 2 1 364.534 3.131 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000543382285 503745993 /nfs/dbraw/zinc/74/59/93/503745993.db2.gz ZLPBCKNKJRHDDI-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181472 503751753 /nfs/dbraw/zinc/75/17/53/503751753.db2.gz CXZADTHSHVTOKL-SFHVURJKSA-N 2 1 374.529 3.015 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000543406858 503757389 /nfs/dbraw/zinc/75/73/89/503757389.db2.gz MYHKBYGWNFSDJE-NZQKXSOJSA-N 2 1 373.585 3.470 20 0 FGADMP CS[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000536995215 503773347 /nfs/dbraw/zinc/77/33/47/503773347.db2.gz VLOZAKPSUAMIKX-JKSUJKDBSA-N 2 1 366.328 3.479 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CCCC2)CC1 ZINC000540593712 503826431 /nfs/dbraw/zinc/82/64/31/503826431.db2.gz OFSPNXHCPSWRRN-XUVXKRRUSA-N 2 1 362.558 3.347 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217751 503881160 /nfs/dbraw/zinc/88/11/60/503881160.db2.gz HJFMWWAMTJLWIJ-WFASDCNBSA-N 2 1 355.404 3.297 20 0 FGADMP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000530242513 503890939 /nfs/dbraw/zinc/89/09/39/503890939.db2.gz UHTOQUOMMWBGHQ-INIZCTEOSA-N 2 1 371.294 3.179 20 0 FGADMP CN1CC[NH+](CCOc2ccc(-c3ccc(/C=C/CC[NH3+])cc3)cc2)CC1 ZINC000530247986 503893418 /nfs/dbraw/zinc/89/34/18/503893418.db2.gz DPBGOVSOMWXPSN-DUXPYHPUSA-N 2 1 365.521 3.342 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000530327442 503927392 /nfs/dbraw/zinc/92/73/92/503927392.db2.gz MKXJSDDFTBMCOH-CQSZACIVSA-N 2 1 353.495 3.376 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000518205934 503927665 /nfs/dbraw/zinc/92/76/65/503927665.db2.gz SLVJFKOTRWPCPR-SJORKVTESA-N 2 1 366.575 3.305 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000530354965 503935693 /nfs/dbraw/zinc/93/56/93/503935693.db2.gz MQELHQVPHAHFLI-OAHLLOKOSA-N 2 1 350.260 3.229 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540991595 503967466 /nfs/dbraw/zinc/96/74/66/503967466.db2.gz HMXMOEKJIDKPHI-QPJICYPMSA-N 2 1 354.469 3.415 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456839 503990179 /nfs/dbraw/zinc/99/01/79/503990179.db2.gz BMSYYXWUJZBMCD-IBGZPJMESA-N 2 1 359.558 3.176 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000518457908 503991817 /nfs/dbraw/zinc/99/18/17/503991817.db2.gz WCNHAUQHGJYCSG-OTWHNJEPSA-N 2 1 373.541 3.039 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2ccccc2Cl)c1 ZINC000518519471 504007916 /nfs/dbraw/zinc/00/79/16/504007916.db2.gz TZGNIHMQMQEJKN-SFHVURJKSA-N 2 1 362.901 3.321 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000533986796 504010264 /nfs/dbraw/zinc/01/02/64/504010264.db2.gz VISIPKMMKBLGGP-LEWJYISDSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000544130645 504018668 /nfs/dbraw/zinc/01/86/68/504018668.db2.gz WZUSTLMXLHWAFH-INIZCTEOSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000544130645 504018672 /nfs/dbraw/zinc/01/86/72/504018672.db2.gz WZUSTLMXLHWAFH-INIZCTEOSA-N 2 1 356.432 3.169 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598011 504024865 /nfs/dbraw/zinc/02/48/65/504024865.db2.gz ZPMMMXIXWBOOKV-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367983 504078787 /nfs/dbraw/zinc/07/87/87/504078787.db2.gz GDMBWKSQKXQGEY-QZTJIDSGSA-N 2 1 371.525 3.019 20 0 FGADMP c1ccc(C[NH+]2CCC(OCCCNc3[nH]c4ccccc4[nH+]3)CC2)cc1 ZINC000534242105 504080688 /nfs/dbraw/zinc/08/06/88/504080688.db2.gz AMUFVQBWAOCWKE-UHFFFAOYSA-N 2 1 364.493 3.468 20 0 FGADMP c1ccc(C[N@H+]2CCN(CCC[NH+]3CCOCC3)CC23CCCCC3)cc1 ZINC000530780279 504085576 /nfs/dbraw/zinc/08/55/76/504085576.db2.gz CIZOCGRURJASMT-UHFFFAOYSA-N 2 1 371.569 3.229 20 0 FGADMP c1ccc(C[N@@H+]2CCN(CCC[NH+]3CCOCC3)CC23CCCCC3)cc1 ZINC000530780279 504085580 /nfs/dbraw/zinc/08/55/80/504085580.db2.gz CIZOCGRURJASMT-UHFFFAOYSA-N 2 1 371.569 3.229 20 0 FGADMP CCc1cnc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000544348929 504098298 /nfs/dbraw/zinc/09/82/98/504098298.db2.gz UGLLXJFIXLZMEZ-UHFFFAOYSA-N 2 1 364.603 3.334 20 0 FGADMP CCc1cnc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000544348929 504098305 /nfs/dbraw/zinc/09/83/05/504098305.db2.gz UGLLXJFIXLZMEZ-UHFFFAOYSA-N 2 1 364.603 3.334 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H]2C[C@H]2c2ccccc2)c2cccs2)CC1 ZINC000534316797 504107432 /nfs/dbraw/zinc/10/74/32/504107432.db2.gz YFZGLJFMZMILAV-HSALFYBXSA-N 2 1 355.551 3.430 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000519011591 504118097 /nfs/dbraw/zinc/11/80/97/504118097.db2.gz BGRIKJQUWCVQAI-NRFANRHFSA-N 2 1 351.494 3.029 20 0 FGADMP C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503545 504129473 /nfs/dbraw/zinc/12/94/73/504129473.db2.gz UURYTKKZQXZELS-GCJKJVERSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000519176474 504158204 /nfs/dbraw/zinc/15/82/04/504158204.db2.gz ZCWDGEZVJKTQIR-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204725 504165210 /nfs/dbraw/zinc/16/52/10/504165210.db2.gz AFLJWNWGADLKSO-MSOLQXFVSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)[N@H+](C)C1CC1 ZINC000519204725 504165212 /nfs/dbraw/zinc/16/52/12/504165212.db2.gz AFLJWNWGADLKSO-MSOLQXFVSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)[N@@H+](C)C1CC1 ZINC000519204725 504165214 /nfs/dbraw/zinc/16/52/14/504165214.db2.gz AFLJWNWGADLKSO-MSOLQXFVSA-N 2 1 372.557 3.343 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2ccc(F)c(F)c2)CC1 ZINC000531024829 504166401 /nfs/dbraw/zinc/16/64/01/504166401.db2.gz RCSFQUYMSLETHH-UHFFFAOYSA-N 2 1 374.435 3.073 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000541541839 504170519 /nfs/dbraw/zinc/17/05/19/504170519.db2.gz KSCZZVKUPJCWRH-FKBYEOEOSA-N 2 1 359.558 3.085 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528330792 504173304 /nfs/dbraw/zinc/17/33/04/504173304.db2.gz ZIBGKESWCJEXEX-IBGZPJMESA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528330792 504173307 /nfs/dbraw/zinc/17/33/07/504173307.db2.gz ZIBGKESWCJEXEX-IBGZPJMESA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000531079387 504181383 /nfs/dbraw/zinc/18/13/83/504181383.db2.gz ZPSHHGZXPPTFNY-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000541576638 504183461 /nfs/dbraw/zinc/18/34/61/504183461.db2.gz NVBFDMXIWWZNDY-ROUUACIJSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000541576638 504183462 /nfs/dbraw/zinc/18/34/62/504183462.db2.gz NVBFDMXIWWZNDY-ROUUACIJSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576638 504183463 /nfs/dbraw/zinc/18/34/63/504183463.db2.gz NVBFDMXIWWZNDY-ROUUACIJSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576638 504183464 /nfs/dbraw/zinc/18/34/64/504183464.db2.gz NVBFDMXIWWZNDY-ROUUACIJSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000541576639 504184203 /nfs/dbraw/zinc/18/42/03/504184203.db2.gz NVBFDMXIWWZNDY-ZWKOTPCHSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000541576639 504184208 /nfs/dbraw/zinc/18/42/08/504184208.db2.gz NVBFDMXIWWZNDY-ZWKOTPCHSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576639 504184214 /nfs/dbraw/zinc/18/42/14/504184214.db2.gz NVBFDMXIWWZNDY-ZWKOTPCHSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576639 504184219 /nfs/dbraw/zinc/18/42/19/504184219.db2.gz NVBFDMXIWWZNDY-ZWKOTPCHSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000534611372 504190529 /nfs/dbraw/zinc/19/05/29/504190529.db2.gz OCXSSYBEFOTFTI-YZGWKJHDSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534611372 504190534 /nfs/dbraw/zinc/19/05/34/504190534.db2.gz OCXSSYBEFOTFTI-YZGWKJHDSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534611372 504190538 /nfs/dbraw/zinc/19/05/38/504190538.db2.gz OCXSSYBEFOTFTI-YZGWKJHDSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000544623764 504195025 /nfs/dbraw/zinc/19/50/25/504195025.db2.gz DYPLJDDMTQAJQH-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191186 504221777 /nfs/dbraw/zinc/22/17/77/504221777.db2.gz DGXZTBQTHSRZQY-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191186 504221783 /nfs/dbraw/zinc/22/17/83/504221783.db2.gz DGXZTBQTHSRZQY-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191186 504221790 /nfs/dbraw/zinc/22/17/90/504221790.db2.gz DGXZTBQTHSRZQY-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CCc1ccc(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000547785979 504223863 /nfs/dbraw/zinc/22/38/63/504223863.db2.gz UNPXRPGDZVITSD-NRFANRHFSA-N 2 1 353.510 3.100 20 0 FGADMP CCc1ccc(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000547785979 504223869 /nfs/dbraw/zinc/22/38/69/504223869.db2.gz UNPXRPGDZVITSD-NRFANRHFSA-N 2 1 353.510 3.100 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700669 504225319 /nfs/dbraw/zinc/22/53/19/504225319.db2.gz DAAZRNQNDPAMRD-UYAOXDASSA-N 2 1 365.525 3.211 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700669 504225325 /nfs/dbraw/zinc/22/53/25/504225325.db2.gz DAAZRNQNDPAMRD-UYAOXDASSA-N 2 1 365.525 3.211 20 0 FGADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H](C)[C@H]1OC ZINC000538406199 504237420 /nfs/dbraw/zinc/23/74/20/504237420.db2.gz SPUDMUAFWQZWGT-GUDVDZBRSA-N 2 1 352.563 3.451 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827578 504239149 /nfs/dbraw/zinc/23/91/49/504239149.db2.gz OTVSKPOCKSSOJG-IZBOUPIGSA-N 2 1 371.569 3.130 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769737 504248456 /nfs/dbraw/zinc/24/84/56/504248456.db2.gz MUENPRMLPHNDFB-OAQYLSRUSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531318516 504264694 /nfs/dbraw/zinc/26/46/94/504264694.db2.gz TZBKLOUWIAXIIW-ZTFGCOKTSA-N 2 1 366.937 3.067 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000519641560 504285741 /nfs/dbraw/zinc/28/57/41/504285741.db2.gz FSPLKGOVWNWQKU-FQEVSTJZSA-N 2 1 373.928 3.363 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+](C)C ZINC000519655598 504291499 /nfs/dbraw/zinc/29/14/99/504291499.db2.gz DODSFEHKPHJNFU-HQRMLTQVSA-N 2 1 372.513 3.181 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541895445 504294614 /nfs/dbraw/zinc/29/46/14/504294614.db2.gz VUMDTNLKUGVXCO-FIKGOQFSSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541895445 504294617 /nfs/dbraw/zinc/29/46/17/504294617.db2.gz VUMDTNLKUGVXCO-FIKGOQFSSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541895445 504294621 /nfs/dbraw/zinc/29/46/21/504294621.db2.gz VUMDTNLKUGVXCO-FIKGOQFSSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541895445 504294624 /nfs/dbraw/zinc/29/46/24/504294624.db2.gz VUMDTNLKUGVXCO-FIKGOQFSSA-N 2 1 370.541 3.125 20 0 FGADMP C(C[NH+]1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629050 504310087 /nfs/dbraw/zinc/31/00/87/504310087.db2.gz WYJBWCFJODTWJP-SFTDATJTSA-N 2 1 350.547 3.159 20 0 FGADMP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)CC2 ZINC000538649903 504315219 /nfs/dbraw/zinc/31/52/19/504315219.db2.gz MWYNLYFPOFPVKI-FQEVSTJZSA-N 2 1 373.516 3.267 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)CC2 ZINC000538649903 504315225 /nfs/dbraw/zinc/31/52/25/504315225.db2.gz MWYNLYFPOFPVKI-FQEVSTJZSA-N 2 1 373.516 3.267 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)CC2 ZINC000538649903 504315231 /nfs/dbraw/zinc/31/52/31/504315231.db2.gz MWYNLYFPOFPVKI-FQEVSTJZSA-N 2 1 373.516 3.267 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)CC2 ZINC000538649903 504315237 /nfs/dbraw/zinc/31/52/37/504315237.db2.gz MWYNLYFPOFPVKI-FQEVSTJZSA-N 2 1 373.516 3.267 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113651 504335774 /nfs/dbraw/zinc/33/57/74/504335774.db2.gz GVSAVYFFLKOGCO-YADHBBJMSA-N 2 1 365.521 3.415 20 0 FGADMP COc1ccc(Br)cc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000538733260 504349234 /nfs/dbraw/zinc/34/92/34/504349234.db2.gz DEAUFWBPICJPPI-UHFFFAOYSA-N 2 1 371.319 3.000 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CC2 ZINC000531677271 504390253 /nfs/dbraw/zinc/39/02/53/504390253.db2.gz DJBDWKHXOHJVLO-PMACEKPBSA-N 2 1 371.550 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538850189 504392314 /nfs/dbraw/zinc/39/23/14/504392314.db2.gz RJGCQLRDMDLWSM-QGZVFWFLSA-N 2 1 364.965 3.056 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1F ZINC000531710649 504400302 /nfs/dbraw/zinc/40/03/02/504400302.db2.gz LJICWRQPKPQONB-UWJYYQICSA-N 2 1 371.500 3.474 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000520044381 504403462 /nfs/dbraw/zinc/40/34/62/504403462.db2.gz NKRZCVQVWCQQAX-QGZVFWFLSA-N 2 1 361.530 3.466 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2OC)CC1 ZINC000520044381 504403464 /nfs/dbraw/zinc/40/34/64/504403464.db2.gz NKRZCVQVWCQQAX-QGZVFWFLSA-N 2 1 361.530 3.466 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H](C)C1 ZINC000531738241 504408403 /nfs/dbraw/zinc/40/84/03/504408403.db2.gz BJHLGTQCLLMNSI-YJBOKZPZSA-N 2 1 356.457 3.070 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000520114203 504414862 /nfs/dbraw/zinc/41/48/62/504414862.db2.gz VAEDPXMFIMSOFK-MSOLQXFVSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000545247225 504414881 /nfs/dbraw/zinc/41/48/81/504414881.db2.gz YPGZWWFULAQDTI-KRWDZBQOSA-N 2 1 371.525 3.305 20 0 FGADMP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520122603 504416150 /nfs/dbraw/zinc/41/61/50/504416150.db2.gz DCVAVULKGOMZHC-VXKWHMMOSA-N 2 1 365.521 3.242 20 0 FGADMP CC[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520122603 504416157 /nfs/dbraw/zinc/41/61/57/504416157.db2.gz DCVAVULKGOMZHC-VXKWHMMOSA-N 2 1 365.521 3.242 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281956 504438342 /nfs/dbraw/zinc/43/83/42/504438342.db2.gz KAUARELIIFYNJE-HZPDHXFCSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281956 504438344 /nfs/dbraw/zinc/43/83/44/504438344.db2.gz KAUARELIIFYNJE-HZPDHXFCSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281956 504438347 /nfs/dbraw/zinc/43/83/47/504438347.db2.gz KAUARELIIFYNJE-HZPDHXFCSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281956 504438350 /nfs/dbraw/zinc/43/83/50/504438350.db2.gz KAUARELIIFYNJE-HZPDHXFCSA-N 2 1 374.447 3.251 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000520231324 504442337 /nfs/dbraw/zinc/44/23/37/504442337.db2.gz UADLAJBPUMSRHT-YESZJQIVSA-N 2 1 369.465 3.078 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000520231324 504442340 /nfs/dbraw/zinc/44/23/40/504442340.db2.gz UADLAJBPUMSRHT-YESZJQIVSA-N 2 1 369.465 3.078 20 0 FGADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@@H]1c1cccs1 ZINC000545344417 504452057 /nfs/dbraw/zinc/45/20/57/504452057.db2.gz DXPIXFAHXSRMLW-QFBILLFUSA-N 2 1 371.554 3.445 20 0 FGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@@H]1c1cccs1 ZINC000545344417 504452060 /nfs/dbraw/zinc/45/20/60/504452060.db2.gz DXPIXFAHXSRMLW-QFBILLFUSA-N 2 1 371.554 3.445 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482833 504461633 /nfs/dbraw/zinc/46/16/33/504461633.db2.gz GSTJVHNZHAEWDF-SIKLNZKXSA-N 2 1 365.521 3.225 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542359859 504461706 /nfs/dbraw/zinc/46/17/06/504461706.db2.gz NSSZKTASAXJZOX-IBGZPJMESA-N 2 1 372.557 3.293 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000539093800 504470984 /nfs/dbraw/zinc/47/09/84/504470984.db2.gz QLAXWYKGIGRUJY-QGZVFWFLSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccc(NC(=O)CC)c2)[C@@H](C)C1 ZINC000531936863 504480253 /nfs/dbraw/zinc/48/02/53/504480253.db2.gz ITBCEWSRIWZVON-FXAWDEMLSA-N 2 1 361.530 3.262 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@@H](C)C1 ZINC000531936863 504480260 /nfs/dbraw/zinc/48/02/60/504480260.db2.gz ITBCEWSRIWZVON-FXAWDEMLSA-N 2 1 361.530 3.262 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000531946285 504482838 /nfs/dbraw/zinc/48/28/38/504482838.db2.gz GVNINHUFCHIIOQ-TYCQWZJGSA-N 2 1 350.510 3.285 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000531946285 504482842 /nfs/dbraw/zinc/48/28/42/504482842.db2.gz GVNINHUFCHIIOQ-TYCQWZJGSA-N 2 1 350.510 3.285 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH+]2CC)C1 ZINC000520379709 504483643 /nfs/dbraw/zinc/48/36/43/504483643.db2.gz LJODTQOCJVYMDW-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000520379709 504483648 /nfs/dbraw/zinc/48/36/48/504483648.db2.gz LJODTQOCJVYMDW-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)C1 ZINC000520379709 504483652 /nfs/dbraw/zinc/48/36/52/504483652.db2.gz LJODTQOCJVYMDW-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000520379680 504484136 /nfs/dbraw/zinc/48/41/36/504484136.db2.gz JLWNRWGGBYWACP-IBGZPJMESA-N 2 1 359.901 3.321 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000531960796 504487661 /nfs/dbraw/zinc/48/76/61/504487661.db2.gz RPUHYCBBPPYAPJ-VIQWUECVSA-N 2 1 370.459 3.377 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3Cl)CC2)C[C@@H](C)O1 ZINC000539149877 504489094 /nfs/dbraw/zinc/48/90/94/504489094.db2.gz SKGOMTZPYNDDAC-IAGOWNOFSA-N 2 1 366.933 3.430 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000520427071 504496786 /nfs/dbraw/zinc/49/67/86/504496786.db2.gz ZVSGZDNORKKLCH-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP CC[C@@H](O)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000542466466 504501761 /nfs/dbraw/zinc/50/17/61/504501761.db2.gz GWOMADAUNQSESE-OAQYLSRUSA-N 2 1 350.466 3.349 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccn(C)c3)cc2)C[C@H]1C ZINC000539223212 504501927 /nfs/dbraw/zinc/50/19/27/504501927.db2.gz BDVJQSINVGODIN-KDURUIRLSA-N 2 1 355.526 3.324 20 0 FGADMP NC(=O)[C@@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535673552 504503632 /nfs/dbraw/zinc/50/36/32/504503632.db2.gz AMVOGJKBAZGKQH-OAQYLSRUSA-N 2 1 363.505 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C[C@H](C)O1 ZINC000542495547 504513602 /nfs/dbraw/zinc/51/36/02/504513602.db2.gz XPIXLCZQFSZRHA-LLGFUMIMSA-N 2 1 372.488 3.184 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C[C@H](C)O1 ZINC000542495547 504513608 /nfs/dbraw/zinc/51/36/08/504513608.db2.gz XPIXLCZQFSZRHA-LLGFUMIMSA-N 2 1 372.488 3.184 20 0 FGADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254725 504513974 /nfs/dbraw/zinc/51/39/74/504513974.db2.gz RDFTYSSYFYPQJQ-MJGOQNOKSA-N 2 1 361.530 3.069 20 0 FGADMP CC[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254725 504513976 /nfs/dbraw/zinc/51/39/76/504513976.db2.gz RDFTYSSYFYPQJQ-MJGOQNOKSA-N 2 1 361.530 3.069 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000535818665 504554579 /nfs/dbraw/zinc/55/45/79/504554579.db2.gz HTXZPIUJHWNVLH-WOJBJXKFSA-N 2 1 359.558 3.466 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000520756147 504575281 /nfs/dbraw/zinc/57/52/81/504575281.db2.gz FCUMQOPHXSNHJR-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000520756147 504575285 /nfs/dbraw/zinc/57/52/85/504575285.db2.gz FCUMQOPHXSNHJR-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000520756147 504575286 /nfs/dbraw/zinc/57/52/86/504575286.db2.gz FCUMQOPHXSNHJR-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000520756750 504575362 /nfs/dbraw/zinc/57/53/62/504575362.db2.gz VZSHJEQIUHWRMN-XCJLJZCSSA-N 2 1 372.557 3.384 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000532219044 504576862 /nfs/dbraw/zinc/57/68/62/504576862.db2.gz DPGAPYJNDBIZPO-GFCCVEGCSA-N 2 1 354.376 3.217 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000535900272 504576989 /nfs/dbraw/zinc/57/69/89/504576989.db2.gz LTWBAARQAMUDRU-IEBWSBKVSA-N 2 1 363.933 3.133 20 0 FGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)o1 ZINC000539516528 504596710 /nfs/dbraw/zinc/59/67/10/504596710.db2.gz BHEWYVIBFXKCLH-LMQGHGSNSA-N 2 1 354.494 3.376 20 0 FGADMP CN(CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1cc[nH+]cc1 ZINC000542787709 504610407 /nfs/dbraw/zinc/61/04/07/504610407.db2.gz MXNSLIWYOBUURD-UHFFFAOYSA-N 2 1 358.530 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786190 504610636 /nfs/dbraw/zinc/61/06/36/504610636.db2.gz IAJALVCHLTZWCU-RBUKOAKNSA-N 2 1 366.509 3.029 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc3[nH]ccc32)c2cccs2)CC1 ZINC000520930689 504612272 /nfs/dbraw/zinc/61/22/72/504612272.db2.gz HVZDLNORZBBKEK-IBGZPJMESA-N 2 1 354.523 3.308 20 0 FGADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)cc1F ZINC000532352574 504620771 /nfs/dbraw/zinc/62/07/71/504620771.db2.gz VXLQQLHANHAFMU-UHFFFAOYSA-N 2 1 362.836 3.187 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000532441734 504652641 /nfs/dbraw/zinc/65/26/41/504652641.db2.gz GVFBGTSLAJJTFN-DOTOQJQBSA-N 2 1 373.522 3.116 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819344 504700173 /nfs/dbraw/zinc/70/01/73/504700173.db2.gz ZPURMEYUPNAQLA-WMLDXEAASA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819344 504700180 /nfs/dbraw/zinc/70/01/80/504700180.db2.gz ZPURMEYUPNAQLA-WMLDXEAASA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819344 504700185 /nfs/dbraw/zinc/70/01/85/504700185.db2.gz ZPURMEYUPNAQLA-WMLDXEAASA-N 2 1 374.481 3.390 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000539824452 504703737 /nfs/dbraw/zinc/70/37/37/504703737.db2.gz FMKBRLRLLYZJJS-FQEVSTJZSA-N 2 1 357.542 3.000 20 0 FGADMP Cn1cc[nH+]c1[C@H]1CCN(Cc2ncc(Cl)cc2Br)C1 ZINC000529566674 504730872 /nfs/dbraw/zinc/73/08/72/504730872.db2.gz FQFCJEKOEUFFOM-JTQLQIEISA-N 2 1 355.667 3.221 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000532737706 504748578 /nfs/dbraw/zinc/74/85/78/504748578.db2.gz NMPRVKARPHOUCR-QFBILLFUSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000532737706 504748582 /nfs/dbraw/zinc/74/85/82/504748582.db2.gz NMPRVKARPHOUCR-QFBILLFUSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000532737706 504748585 /nfs/dbraw/zinc/74/85/85/504748585.db2.gz NMPRVKARPHOUCR-QFBILLFUSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000532737706 504748588 /nfs/dbraw/zinc/74/85/88/504748588.db2.gz NMPRVKARPHOUCR-QFBILLFUSA-N 2 1 354.498 3.081 20 0 FGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763143 504753907 /nfs/dbraw/zinc/75/39/07/504753907.db2.gz NPRFWDUBFOGXHC-KSZLIROESA-N 2 1 371.525 3.304 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763143 504753910 /nfs/dbraw/zinc/75/39/10/504753910.db2.gz NPRFWDUBFOGXHC-KSZLIROESA-N 2 1 371.525 3.304 20 0 FGADMP COC[C@]1([NH2+]C2CC[NH+](C3CCCCC3)CC2)COc2ccccc2C1 ZINC000529667729 504756074 /nfs/dbraw/zinc/75/60/74/504756074.db2.gz CUIYQBRQFPVXTB-QFIPXVFZSA-N 2 1 358.526 3.393 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584624 504765990 /nfs/dbraw/zinc/76/59/90/504765990.db2.gz VYZVCDWBWIYLKT-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584624 504765992 /nfs/dbraw/zinc/76/59/92/504765992.db2.gz VYZVCDWBWIYLKT-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584624 504765996 /nfs/dbraw/zinc/76/59/96/504765996.db2.gz VYZVCDWBWIYLKT-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP O=C(C[NH2+][C@H](CC(F)(F)F)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000552921320 504788307 /nfs/dbraw/zinc/78/83/07/504788307.db2.gz JWVVWZUZYBXHRJ-QGZVFWFLSA-N 2 1 369.431 3.013 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076800 504791116 /nfs/dbraw/zinc/79/11/16/504791116.db2.gz RKVKDQYKUCENBD-HZPDHXFCSA-N 2 1 357.473 3.217 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276616 504817642 /nfs/dbraw/zinc/81/76/42/504817642.db2.gz SZQPUWDABLUTJL-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000559276616 504817646 /nfs/dbraw/zinc/81/76/46/504817646.db2.gz SZQPUWDABLUTJL-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000559276616 504817650 /nfs/dbraw/zinc/81/76/50/504817650.db2.gz SZQPUWDABLUTJL-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000565316300 504852091 /nfs/dbraw/zinc/85/20/91/504852091.db2.gz LCYQEGYCNMABQJ-FQEVSTJZSA-N 2 1 373.566 3.397 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000559740039 504920145 /nfs/dbraw/zinc/92/01/45/504920145.db2.gz JSOZEBHMXKXKSB-PKTZIBPZSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000559740039 504920147 /nfs/dbraw/zinc/92/01/47/504920147.db2.gz JSOZEBHMXKXKSB-PKTZIBPZSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000559754012 504923118 /nfs/dbraw/zinc/92/31/18/504923118.db2.gz SRFVCNXDBALDCF-ZWKOTPCHSA-N 2 1 355.448 3.438 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000559754012 504923120 /nfs/dbraw/zinc/92/31/20/504923120.db2.gz SRFVCNXDBALDCF-ZWKOTPCHSA-N 2 1 355.448 3.438 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000562878773 504974032 /nfs/dbraw/zinc/97/40/32/504974032.db2.gz ZZUBUVQAHTUPPP-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239531 504999755 /nfs/dbraw/zinc/99/97/55/504999755.db2.gz UWEGISQTBOPHIC-SIKLNZKXSA-N 2 1 360.542 3.142 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239531 504999758 /nfs/dbraw/zinc/99/97/58/504999758.db2.gz UWEGISQTBOPHIC-SIKLNZKXSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239531 504999760 /nfs/dbraw/zinc/99/97/60/504999760.db2.gz UWEGISQTBOPHIC-SIKLNZKXSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239531 504999762 /nfs/dbraw/zinc/99/97/62/504999762.db2.gz UWEGISQTBOPHIC-SIKLNZKXSA-N 2 1 360.542 3.142 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2)C[C@H](C)O1 ZINC000550327538 505022798 /nfs/dbraw/zinc/02/27/98/505022798.db2.gz DCTIFKZSTTVGHV-HOTGVXAUSA-N 2 1 364.449 3.196 20 0 FGADMP CCCN1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121804 505053337 /nfs/dbraw/zinc/05/33/37/505053337.db2.gz GEWBOJLOAAMIFN-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP CCCN1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121804 505053343 /nfs/dbraw/zinc/05/33/43/505053343.db2.gz GEWBOJLOAAMIFN-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cccc(-n2ccnn2)c1 ZINC000554049839 505075446 /nfs/dbraw/zinc/07/54/46/505075446.db2.gz WIVGAGZPKIWFBB-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cccc(-n2ccnn2)c1 ZINC000554049839 505075450 /nfs/dbraw/zinc/07/54/50/505075450.db2.gz WIVGAGZPKIWFBB-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566106079 505082117 /nfs/dbraw/zinc/08/21/17/505082117.db2.gz GJGHLHQEYSSQGE-CEXWTWQISA-N 2 1 373.541 3.255 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000557214077 505093945 /nfs/dbraw/zinc/09/39/45/505093945.db2.gz SFWHIIQZJTUHSN-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000557272634 505102780 /nfs/dbraw/zinc/10/27/80/505102780.db2.gz CLCWLFBFONJOPI-ZPMCFJSWSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000557272634 505102783 /nfs/dbraw/zinc/10/27/83/505102783.db2.gz CLCWLFBFONJOPI-ZPMCFJSWSA-N 2 1 356.485 3.229 20 0 FGADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507077 505108389 /nfs/dbraw/zinc/10/83/89/505108389.db2.gz WOBUSKNWDUXTEJ-IEBWSBKVSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507077 505108391 /nfs/dbraw/zinc/10/83/91/505108391.db2.gz WOBUSKNWDUXTEJ-IEBWSBKVSA-N 2 1 372.557 3.341 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000560525934 505114281 /nfs/dbraw/zinc/11/42/81/505114281.db2.gz BGNXSYNLMYNZNP-BSDSXHPESA-N 2 1 363.933 3.390 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563350795 505117424 /nfs/dbraw/zinc/11/74/24/505117424.db2.gz ROUIMHZNEHTAGT-BLLLJJGKSA-N 2 1 363.303 3.255 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000563350795 505117427 /nfs/dbraw/zinc/11/74/27/505117427.db2.gz ROUIMHZNEHTAGT-BLLLJJGKSA-N 2 1 363.303 3.255 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)C1 ZINC000551265251 505188254 /nfs/dbraw/zinc/18/82/54/505188254.db2.gz JYAVHJGYBPKVBG-GQIGUUNPSA-N 2 1 359.493 3.381 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCN[C@@H](c2c[nH]nn2)c2ccc(F)cc2)C1 ZINC000551265251 505188259 /nfs/dbraw/zinc/18/82/59/505188259.db2.gz JYAVHJGYBPKVBG-GQIGUUNPSA-N 2 1 359.493 3.381 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000563673522 505207551 /nfs/dbraw/zinc/20/75/51/505207551.db2.gz QZJGDOKKMJLKIR-TZIWHRDSSA-N 2 1 357.542 3.402 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000551403076 505218802 /nfs/dbraw/zinc/21/88/02/505218802.db2.gz FCFAVVFBZACAQR-UHFFFAOYSA-N 2 1 363.303 3.166 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4[nH]ccc4c3)CC2)CC1 ZINC000561109953 505253352 /nfs/dbraw/zinc/25/33/52/505253352.db2.gz VJHQRNODVWWTPB-UHFFFAOYSA-N 2 1 354.498 3.303 20 0 FGADMP CCc1nc(NCc2ccc(N3CCc4ccccc4C3)nc2)cc(C)[nH+]1 ZINC000561133836 505259084 /nfs/dbraw/zinc/25/90/84/505259084.db2.gz XCIGFGLNNWKEBG-UHFFFAOYSA-N 2 1 359.477 3.339 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309543 505311313 /nfs/dbraw/zinc/31/13/13/505311313.db2.gz NOEQJZYPYRCIIV-FDFHNCONSA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309543 505311316 /nfs/dbraw/zinc/31/13/16/505311316.db2.gz NOEQJZYPYRCIIV-FDFHNCONSA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309543 505311318 /nfs/dbraw/zinc/31/13/18/505311318.db2.gz NOEQJZYPYRCIIV-FDFHNCONSA-N 2 1 363.505 3.070 20 0 FGADMP CO[C@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000555015013 505328892 /nfs/dbraw/zinc/32/88/92/505328892.db2.gz CJJSFPNUVZERLM-HSZRJFAPSA-N 2 1 367.537 3.124 20 0 FGADMP Cc1cc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564138821 505335673 /nfs/dbraw/zinc/33/56/73/505335673.db2.gz LTVQQNADPXWDHF-SFHVURJKSA-N 2 1 373.545 3.054 20 0 FGADMP Cc1cc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564138821 505335678 /nfs/dbraw/zinc/33/56/78/505335678.db2.gz LTVQQNADPXWDHF-SFHVURJKSA-N 2 1 373.545 3.054 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)[C@H]2C1 ZINC000564153474 505339016 /nfs/dbraw/zinc/33/90/16/505339016.db2.gz UTHYMFFADPVSDJ-QTLGSODGSA-N 2 1 366.509 3.478 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000567046556 505348589 /nfs/dbraw/zinc/34/85/89/505348589.db2.gz GUPNELKWDTWWSJ-SNRMKQJTSA-N 2 1 357.523 3.256 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000551988423 505364311 /nfs/dbraw/zinc/36/43/11/505364311.db2.gz ZUFGOHXYSVEQMN-MAUKXSAKSA-N 2 1 368.481 3.152 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558364017 505368717 /nfs/dbraw/zinc/36/87/17/505368717.db2.gz KREFYXGMUDJCRX-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@H]21 ZINC000552044161 505380471 /nfs/dbraw/zinc/38/04/71/505380471.db2.gz SLDLZTPXPDEWTB-WCXIOVBPSA-N 2 1 365.468 3.329 20 0 FGADMP CCc1cc(OC)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000564320981 505382715 /nfs/dbraw/zinc/38/27/15/505382715.db2.gz PXVPYDKXKIIQEV-WCRBZPEASA-N 2 1 357.542 3.000 20 0 FGADMP COC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000567197066 505391755 /nfs/dbraw/zinc/39/17/55/505391755.db2.gz HRWDVTVLNIRNAT-SFHVURJKSA-N 2 1 363.889 3.153 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000555335653 505410874 /nfs/dbraw/zinc/41/08/74/505410874.db2.gz SYELAQMPAZHQES-CALCHBBNSA-N 2 1 350.478 3.026 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000564433093 505418372 /nfs/dbraw/zinc/41/83/72/505418372.db2.gz LTSLAFYTQNCZED-VQIMIIECSA-N 2 1 363.465 3.366 20 0 FGADMP CSC1(C[NH2+][C@H](c2nccn2C)c2cccc(F)c2)CC[NH+](C)CC1 ZINC000564439820 505420143 /nfs/dbraw/zinc/42/01/43/505420143.db2.gz WCCARIDNFAPQJH-KRWDZBQOSA-N 2 1 362.518 3.066 20 0 FGADMP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567337012 505434460 /nfs/dbraw/zinc/43/44/60/505434460.db2.gz LCENKUJTIZSSJO-LEWJYISDSA-N 2 1 372.557 3.059 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000558616854 505441710 /nfs/dbraw/zinc/44/17/10/505441710.db2.gz CDABBKSUVJWBFT-SFHVURJKSA-N 2 1 364.534 3.180 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000567371257 505444415 /nfs/dbraw/zinc/44/44/15/505444415.db2.gz QAWMAVUKFYOIFK-QGZVFWFLSA-N 2 1 362.905 3.469 20 0 FGADMP O=C(C[NH2+]Cc1ccc(Cl)c(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000552278770 505448541 /nfs/dbraw/zinc/44/85/41/505448541.db2.gz NFYPLFIESLPCIL-UHFFFAOYSA-N 2 1 358.313 3.075 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000564624307 505472774 /nfs/dbraw/zinc/47/27/74/505472774.db2.gz DJUDKAYXYUQMEH-UHFFFAOYSA-N 2 1 360.498 3.083 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000561976223 505483398 /nfs/dbraw/zinc/48/33/98/505483398.db2.gz XGNXLURDHOVDNB-UHFFFAOYSA-N 2 1 359.470 3.138 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000561976223 505483402 /nfs/dbraw/zinc/48/34/02/505483402.db2.gz XGNXLURDHOVDNB-UHFFFAOYSA-N 2 1 359.470 3.138 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038406 505499098 /nfs/dbraw/zinc/49/90/98/505499098.db2.gz PMLORSFWRVDKJU-UWWQBHOKSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038406 505499101 /nfs/dbraw/zinc/49/91/01/505499101.db2.gz PMLORSFWRVDKJU-UWWQBHOKSA-N 2 1 356.432 3.386 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)C[C@H]2C1 ZINC000567662332 505528470 /nfs/dbraw/zinc/52/84/70/505528470.db2.gz LXLVEGGXVNMTNX-FGYAAKKASA-N 2 1 361.530 3.297 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564828583 505531283 /nfs/dbraw/zinc/53/12/83/505531283.db2.gz UJXRILWGGZZGHT-JXFKEZNVSA-N 2 1 364.555 3.443 20 0 FGADMP O=C(C[NH2+]CC1CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564939630 505562036 /nfs/dbraw/zinc/56/20/36/505562036.db2.gz FPAIVTPSKKAQRQ-UHFFFAOYSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000564987707 505565779 /nfs/dbraw/zinc/56/57/79/505565779.db2.gz GJQTZXXEFFQYFV-XTMYYITASA-N 2 1 365.521 3.465 20 0 FGADMP Cc1cc2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)oc2cc1C ZINC000608117196 506425984 /nfs/dbraw/zinc/42/59/84/506425984.db2.gz RPYLXDIDAZBIHP-UHFFFAOYSA-N 2 1 364.449 3.449 20 0 FGADMP C[C@H](c1ccccc1Br)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000582868949 506462687 /nfs/dbraw/zinc/46/26/87/506462687.db2.gz OIIIYQKNDBIIOU-OAHLLOKOSA-N 2 1 356.352 3.325 20 0 FGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510642 506595161 /nfs/dbraw/zinc/59/51/61/506595161.db2.gz KBGDTSQACCYHDL-PMACEKPBSA-N 2 1 352.478 3.280 20 0 FGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510642 506595165 /nfs/dbraw/zinc/59/51/65/506595165.db2.gz KBGDTSQACCYHDL-PMACEKPBSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510642 506595167 /nfs/dbraw/zinc/59/51/67/506595167.db2.gz KBGDTSQACCYHDL-PMACEKPBSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510642 506595170 /nfs/dbraw/zinc/59/51/70/506595170.db2.gz KBGDTSQACCYHDL-PMACEKPBSA-N 2 1 352.478 3.280 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000608618411 506634070 /nfs/dbraw/zinc/63/40/70/506634070.db2.gz YKIJSDKCIJOKRW-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204490 506647926 /nfs/dbraw/zinc/64/79/26/506647926.db2.gz XANUUAILDWTIQL-MSOLQXFVSA-N 2 1 370.497 3.087 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204490 506647930 /nfs/dbraw/zinc/64/79/30/506647930.db2.gz XANUUAILDWTIQL-MSOLQXFVSA-N 2 1 370.497 3.087 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000583208351 506650315 /nfs/dbraw/zinc/65/03/15/506650315.db2.gz YREQIFCYQKMENY-LPHOPBHVSA-N 2 1 366.509 3.096 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000608674015 506659551 /nfs/dbraw/zinc/65/95/51/506659551.db2.gz NEMVRGDDQZGNER-ZVDOUQERSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608674015 506659553 /nfs/dbraw/zinc/65/95/53/506659553.db2.gz NEMVRGDDQZGNER-ZVDOUQERSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608674015 506659556 /nfs/dbraw/zinc/65/95/56/506659556.db2.gz NEMVRGDDQZGNER-ZVDOUQERSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189276 506743945 /nfs/dbraw/zinc/74/39/45/506743945.db2.gz XNQVDVMIHDWUHH-QUCCMNQESA-N 2 1 360.546 3.243 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014389 506746574 /nfs/dbraw/zinc/74/65/74/506746574.db2.gz UDWAXSXZZMXSTE-QIJUGHKUSA-N 2 1 369.553 3.073 20 0 FGADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017259 506865972 /nfs/dbraw/zinc/86/59/72/506865972.db2.gz IMJSXJSBVZHKOT-FCHUYYIVSA-N 2 1 363.505 3.169 20 0 FGADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017259 506865980 /nfs/dbraw/zinc/86/59/80/506865980.db2.gz IMJSXJSBVZHKOT-FCHUYYIVSA-N 2 1 363.505 3.169 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC000583629477 506885200 /nfs/dbraw/zinc/88/52/00/506885200.db2.gz JUODEAOGRGUXGL-WBMJQRKESA-N 2 1 368.319 3.357 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604815945 506954188 /nfs/dbraw/zinc/95/41/88/506954188.db2.gz BOACZZVPXSMVRJ-XWTMOSNGSA-N 2 1 354.583 3.018 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000594316883 507077279 /nfs/dbraw/zinc/07/72/79/507077279.db2.gz GQGXUEPWXTWJPE-QZTJIDSGSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000591178804 507144483 /nfs/dbraw/zinc/14/44/83/507144483.db2.gz RVUVHAAZEAQGTA-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000591178804 507144493 /nfs/dbraw/zinc/14/44/93/507144493.db2.gz RVUVHAAZEAQGTA-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000591178804 507144503 /nfs/dbraw/zinc/14/45/03/507144503.db2.gz RVUVHAAZEAQGTA-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203107 507151576 /nfs/dbraw/zinc/15/15/76/507151576.db2.gz DKIFOOOIYJJRBI-FCHUYYIVSA-N 2 1 371.569 3.178 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000591283872 507186123 /nfs/dbraw/zinc/18/61/23/507186123.db2.gz JLKXZMWRIHAPLB-IBGZPJMESA-N 2 1 363.521 3.084 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)N[C@H]1CCCc2ccccc21 ZINC000584218274 507219972 /nfs/dbraw/zinc/21/99/72/507219972.db2.gz LGITWUIZQKVNKI-CTNGQTDRSA-N 2 1 365.477 3.119 20 0 FGADMP CCCn1c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc2ccccc21 ZINC000584279379 507254895 /nfs/dbraw/zinc/25/48/95/507254895.db2.gz AIYQFKQYGRGEAL-DYESRHJHSA-N 2 1 356.514 3.165 20 0 FGADMP Ic1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594993441 507344878 /nfs/dbraw/zinc/34/48/78/507344878.db2.gz GJYIBLVTSSZGTK-JKSUJKDBSA-N 2 1 370.278 3.050 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595004662 507350558 /nfs/dbraw/zinc/35/05/58/507350558.db2.gz RAODCHMDRZDLKV-MRXNPFEDSA-N 2 1 370.278 3.352 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000584458140 507356423 /nfs/dbraw/zinc/35/64/23/507356423.db2.gz QTRLRPCETHHXBW-IYBDPMFKSA-N 2 1 358.530 3.210 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606377300 507381614 /nfs/dbraw/zinc/38/16/14/507381614.db2.gz RFVATLJAERYNIF-ABSDTBQOSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000606377300 507381621 /nfs/dbraw/zinc/38/16/21/507381621.db2.gz RFVATLJAERYNIF-ABSDTBQOSA-N 2 1 359.514 3.109 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606638452 507461424 /nfs/dbraw/zinc/46/14/24/507461424.db2.gz JVCQADVAPZCVLT-GOSISDBHSA-N 2 1 364.559 3.011 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000606703735 507489434 /nfs/dbraw/zinc/48/94/34/507489434.db2.gz BTJTVJLSJBIHGW-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852407 507541914 /nfs/dbraw/zinc/54/19/14/507541914.db2.gz DGEJRZYRKRGMGD-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852407 507541920 /nfs/dbraw/zinc/54/19/20/507541920.db2.gz DGEJRZYRKRGMGD-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852407 507541926 /nfs/dbraw/zinc/54/19/26/507541926.db2.gz DGEJRZYRKRGMGD-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426305 507654255 /nfs/dbraw/zinc/65/42/55/507654255.db2.gz SDUMHOMJNMJADU-RDJZCZTQSA-N 2 1 372.465 3.192 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426305 507654256 /nfs/dbraw/zinc/65/42/56/507654256.db2.gz SDUMHOMJNMJADU-RDJZCZTQSA-N 2 1 372.465 3.192 20 0 FGADMP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000592450460 507660351 /nfs/dbraw/zinc/66/03/51/507660351.db2.gz BESQEIGCXPDRGI-UEXGIBASSA-N 2 1 359.558 3.367 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607384858 507716359 /nfs/dbraw/zinc/71/63/59/507716359.db2.gz GMOBBEMLDGGANL-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822477183 606657541 /nfs/dbraw/zinc/65/75/41/606657541.db2.gz JAAHIKUFRRMSNU-CQSZACIVSA-N 2 1 359.437 3.212 20 0 FGADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000824763020 608523209 /nfs/dbraw/zinc/52/32/09/608523209.db2.gz JMCVXEIVJNLKGA-HNNXBMFYSA-N 2 1 350.470 3.121 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Br ZINC000105443777 700500855 /nfs/dbraw/zinc/50/08/55/700500855.db2.gz FKINXJUKJVKHJA-GFCCVEGCSA-N 2 1 352.276 3.389 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccnc(Cl)c1 ZINC000126711480 700751922 /nfs/dbraw/zinc/75/19/22/700751922.db2.gz ZMMFJFGZJOKVCV-MRXNPFEDSA-N 2 1 358.917 3.333 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1 ZINC000128618786 700777635 /nfs/dbraw/zinc/77/76/35/700777635.db2.gz YXNCCCCKQSJUBK-QGZVFWFLSA-N 2 1 353.963 3.494 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000151285443 704917623 /nfs/dbraw/zinc/91/76/23/704917623.db2.gz FXNXJWNVLAMRKG-UHFFFAOYSA-N 2 1 356.495 3.178 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccnc3Cl)cn2)CC1 ZINC000159489316 705225725 /nfs/dbraw/zinc/22/57/25/705225725.db2.gz ZMAPWDPNJRTJJX-OAHLLOKOSA-N 2 1 359.905 3.123 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1Br ZINC000166777156 705345938 /nfs/dbraw/zinc/34/59/38/705345938.db2.gz QBVWMGJPTLMJCL-QLFBSQMISA-N 2 1 353.304 3.433 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000173339637 705454372 /nfs/dbraw/zinc/45/43/72/705454372.db2.gz DJWLNXPIRFJNKH-YJBOKZPZSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243695 705614336 /nfs/dbraw/zinc/61/43/36/705614336.db2.gz JICCVUXBXPYZJS-MRXNPFEDSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243695 705614340 /nfs/dbraw/zinc/61/43/40/705614340.db2.gz JICCVUXBXPYZJS-MRXNPFEDSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(Br)c2)CC1 ZINC000179868708 705719115 /nfs/dbraw/zinc/71/91/15/705719115.db2.gz QJQYMTOSMQJJPT-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043220 705725540 /nfs/dbraw/zinc/72/55/40/705725540.db2.gz GXLHLKDSRBITFP-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043220 705725546 /nfs/dbraw/zinc/72/55/46/705725546.db2.gz GXLHLKDSRBITFP-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043220 705725550 /nfs/dbraw/zinc/72/55/50/705725550.db2.gz GXLHLKDSRBITFP-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000180626852 705750418 /nfs/dbraw/zinc/75/04/18/705750418.db2.gz JKXWGEJQEQKZIA-DLBZAZTESA-N 2 1 350.507 3.255 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085904 712732777 /nfs/dbraw/zinc/73/27/77/712732777.db2.gz KMBDVJQULYMMMX-PBHICJAKSA-N 2 1 373.310 3.428 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085904 712732780 /nfs/dbraw/zinc/73/27/80/712732780.db2.gz KMBDVJQULYMMMX-PBHICJAKSA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085904 712732783 /nfs/dbraw/zinc/73/27/83/712732783.db2.gz KMBDVJQULYMMMX-PBHICJAKSA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085904 712732784 /nfs/dbraw/zinc/73/27/84/712732784.db2.gz KMBDVJQULYMMMX-PBHICJAKSA-N 2 1 373.310 3.428 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261849065 713715074 /nfs/dbraw/zinc/71/50/74/713715074.db2.gz VFXRMATVYXLUAE-MRXNPFEDSA-N 2 1 370.278 3.428 20 0 FGADMP O=c1[nH]c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713991 717923599 /nfs/dbraw/zinc/92/35/99/717923599.db2.gz WCYGDFIQTXFNHH-HNNXBMFYSA-N 2 1 356.495 3.332 20 0 FGADMP O=c1[nH]c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713991 717923600 /nfs/dbraw/zinc/92/36/00/717923600.db2.gz WCYGDFIQTXFNHH-HNNXBMFYSA-N 2 1 356.495 3.332 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)(C)C1 ZINC000310677743 713800248 /nfs/dbraw/zinc/80/02/48/713800248.db2.gz QBLZSYQTZLBWFL-BBWFWOEESA-N 2 1 351.535 3.238 20 0 FGADMP CO[C@@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783602 713943641 /nfs/dbraw/zinc/94/36/41/713943641.db2.gz WUURDEDCHYYZGR-PMACEKPBSA-N 2 1 365.949 3.128 20 0 FGADMP C[C@H](O)C[C@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447837469 714037033 /nfs/dbraw/zinc/03/70/33/714037033.db2.gz UYTUDAPNYVDPHZ-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@H](O)C[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837469 714037036 /nfs/dbraw/zinc/03/70/36/714037036.db2.gz UYTUDAPNYVDPHZ-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@H](O)C[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837469 714037040 /nfs/dbraw/zinc/03/70/40/714037040.db2.gz UYTUDAPNYVDPHZ-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1scnc1C1CC1 ZINC000487568603 714099351 /nfs/dbraw/zinc/09/93/51/714099351.db2.gz ZGXQSUBMQDGCPH-SFHVURJKSA-N 2 1 357.523 3.267 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000522612346 714195419 /nfs/dbraw/zinc/19/54/19/714195419.db2.gz UWHYQJYKMPFLMA-SFHVURJKSA-N 2 1 354.583 3.307 20 0 FGADMP CN1C(=O)C[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472194 715342778 /nfs/dbraw/zinc/34/27/78/715342778.db2.gz HUGWUJUDWSTLCB-QANKJYHBSA-N 2 1 367.896 3.213 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472194 715342793 /nfs/dbraw/zinc/34/27/93/715342793.db2.gz HUGWUJUDWSTLCB-QANKJYHBSA-N 2 1 367.896 3.213 20 0 FGADMP Clc1cccc(O[C@@H]2CC[N@@H+](Cc3cc(C4CC[NH2+]CC4)no3)C2)c1 ZINC000629515353 716302573 /nfs/dbraw/zinc/30/25/73/716302573.db2.gz RZWSEYIHOKUEQF-QGZVFWFLSA-N 2 1 361.873 3.448 20 0 FGADMP Fc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000629591825 716315018 /nfs/dbraw/zinc/31/50/18/716315018.db2.gz PCWHXIHBXPLYCG-HNNXBMFYSA-N 2 1 358.404 3.018 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629653718 716329602 /nfs/dbraw/zinc/32/96/02/716329602.db2.gz FSBBNJJESLKJNK-JSGCOSHPSA-N 2 1 352.347 3.290 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629653718 716329604 /nfs/dbraw/zinc/32/96/04/716329604.db2.gz FSBBNJJESLKJNK-JSGCOSHPSA-N 2 1 352.347 3.290 20 0 FGADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977542 716372545 /nfs/dbraw/zinc/37/25/45/716372545.db2.gz KREKCYXNMNSATK-KUHUBIRLSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977542 716372551 /nfs/dbraw/zinc/37/25/51/716372551.db2.gz KREKCYXNMNSATK-KUHUBIRLSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977542 716372557 /nfs/dbraw/zinc/37/25/57/716372557.db2.gz KREKCYXNMNSATK-KUHUBIRLSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000630025087 716378279 /nfs/dbraw/zinc/37/82/79/716378279.db2.gz KDSMWEMSMYDDHP-INIZCTEOSA-N 2 1 358.313 3.197 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000632896435 716838341 /nfs/dbraw/zinc/83/83/41/716838341.db2.gz ASSUIDQZAWJIKL-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ncc(Br)s1 ZINC000635011529 717139485 /nfs/dbraw/zinc/13/94/85/717139485.db2.gz PZMHUGXHRWIBHW-SNVBAGLBSA-N 2 1 352.301 3.402 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC000635188609 717152488 /nfs/dbraw/zinc/15/24/88/717152488.db2.gz OPMBENSRBNNCEF-MAUKXSAKSA-N 2 1 351.922 3.181 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@H]1c1cccs1 ZINC000638670524 717474623 /nfs/dbraw/zinc/47/46/23/717474623.db2.gz HXIAEGPTTBVSKQ-BBRMVZONSA-N 2 1 367.465 3.478 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@H]1c1cccs1 ZINC000638670524 717474624 /nfs/dbraw/zinc/47/46/24/717474624.db2.gz HXIAEGPTTBVSKQ-BBRMVZONSA-N 2 1 367.465 3.478 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000638748093 717482121 /nfs/dbraw/zinc/48/21/21/717482121.db2.gz HMLWDTWFKVSUFA-HOTGVXAUSA-N 2 1 358.313 3.043 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757095 717598927 /nfs/dbraw/zinc/59/89/27/717598927.db2.gz FGHAACLPUNQFGC-AWEZNQCLSA-N 2 1 365.905 3.093 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758516 717598984 /nfs/dbraw/zinc/59/89/84/717598984.db2.gz VVYNMHFYEQEUMV-SJORKVTESA-N 2 1 361.555 3.218 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759878 717599497 /nfs/dbraw/zinc/59/94/97/717599497.db2.gz MSSNQXBDOHIZDN-CYBMUJFWSA-N 2 1 353.869 3.224 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759878 717599503 /nfs/dbraw/zinc/59/95/03/717599503.db2.gz MSSNQXBDOHIZDN-CYBMUJFWSA-N 2 1 353.869 3.224 20 0 FGADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000644569577 718126888 /nfs/dbraw/zinc/12/68/88/718126888.db2.gz ZWKUCVSFSXQLBH-OAHLLOKOSA-N 2 1 368.319 3.242 20 0 FGADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544566 718366915 /nfs/dbraw/zinc/36/69/15/718366915.db2.gz YCILSTTUMYXVGT-KGLIPLIRSA-N 2 1 353.304 3.366 20 0 FGADMP Cc1ncsc1C[N@H+]1C[C@@H](F)C[C@H]1CN(C)c1[nH+]ccc2[nH]ccc21 ZINC000647877726 718382670 /nfs/dbraw/zinc/38/26/70/718382670.db2.gz BBNFZDPAWYHNPN-KBPBESRZSA-N 2 1 359.474 3.377 20 0 FGADMP Cc1ncsc1C[N@@H+]1C[C@@H](F)C[C@H]1CN(C)c1[nH+]ccc2[nH]ccc21 ZINC000647877726 718382672 /nfs/dbraw/zinc/38/26/72/718382672.db2.gz BBNFZDPAWYHNPN-KBPBESRZSA-N 2 1 359.474 3.377 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976605 718391232 /nfs/dbraw/zinc/39/12/32/718391232.db2.gz QXJYXPDDNIMLCG-NXHRZFHOSA-N 2 1 363.933 3.056 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976712 718391342 /nfs/dbraw/zinc/39/13/42/718391342.db2.gz SKBQNDROFQATJE-ILXRZTDVSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976247 718391467 /nfs/dbraw/zinc/39/14/67/718391467.db2.gz MBKBMYPIQZJHOE-RYRKJORJSA-N 2 1 363.933 3.056 20 0 FGADMP C[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000648071695 718397606 /nfs/dbraw/zinc/39/76/06/718397606.db2.gz PBKOUAMLEUPIAR-HNNXBMFYSA-N 2 1 367.331 3.349 20 0 FGADMP C[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000648071695 718397608 /nfs/dbraw/zinc/39/76/08/718397608.db2.gz PBKOUAMLEUPIAR-HNNXBMFYSA-N 2 1 367.331 3.349 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162344 718402499 /nfs/dbraw/zinc/40/24/99/718402499.db2.gz ZXEQWCBNNVNJRS-WBVHZDCISA-N 2 1 355.885 3.248 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162344 718402502 /nfs/dbraw/zinc/40/25/02/718402502.db2.gz ZXEQWCBNNVNJRS-WBVHZDCISA-N 2 1 355.885 3.248 20 0 FGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000648806460 718451879 /nfs/dbraw/zinc/45/18/79/718451879.db2.gz IVYCWYMPVKCOQT-YOEHRIQHSA-N 2 1 362.905 3.469 20 0 FGADMP C[C@@H]1COCCCN1Cc1cc(C[N@H+]2CCCOC[C@@H]2C)ccc1F ZINC000649391550 718510694 /nfs/dbraw/zinc/51/06/94/718510694.db2.gz QOJUTXDCFQXQCR-DLBZAZTESA-N 2 1 350.478 3.047 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC000650705718 718717188 /nfs/dbraw/zinc/71/71/88/718717188.db2.gz STXRKIDVAWZLNX-UXLLHSPISA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722277 718719836 /nfs/dbraw/zinc/71/98/36/718719836.db2.gz OPTOVPSALDWHMB-IKGGRYGDSA-N 2 1 353.304 3.310 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722064 718720032 /nfs/dbraw/zinc/72/00/32/718720032.db2.gz JVWJQQYANHGXRQ-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722064 718720033 /nfs/dbraw/zinc/72/00/33/718720033.db2.gz JVWJQQYANHGXRQ-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722944 718720448 /nfs/dbraw/zinc/72/04/48/718720448.db2.gz DZOXIBYHZFNIKC-XOKHGSTOSA-N 2 1 369.303 3.016 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723165 718720646 /nfs/dbraw/zinc/72/06/46/718720646.db2.gz IETRBIBSCDKGNS-JLSDUUJJSA-N 2 1 358.511 3.066 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651706199 718853322 /nfs/dbraw/zinc/85/33/22/718853322.db2.gz WGZVKSBGSKBACM-QGZVFWFLSA-N 2 1 353.913 3.330 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000652227899 718924392 /nfs/dbraw/zinc/92/43/92/718924392.db2.gz QPXWJTLHXPKYOW-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348480 718935287 /nfs/dbraw/zinc/93/52/87/718935287.db2.gz FKUFBPDHEAUPJY-MPGHIAIKSA-N 2 1 361.511 3.430 20 0 FGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350383 718935392 /nfs/dbraw/zinc/93/53/92/718935392.db2.gz WJFFIPBUXLUOPV-LZLYRXPVSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361765 718936903 /nfs/dbraw/zinc/93/69/03/718936903.db2.gz OVAOELYFLUCJNF-FHLIZLRMSA-N 2 1 365.905 3.029 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361836 718936907 /nfs/dbraw/zinc/93/69/07/718936907.db2.gz QMVOXWXJVXBCBI-NZSAHSFTSA-N 2 1 352.906 3.470 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653110019 719013393 /nfs/dbraw/zinc/01/33/93/719013393.db2.gz VCVXMOSBRXSJMC-GUDVDZBRSA-N 2 1 361.917 3.124 20 0 FGADMP c1cn(-c2cc[nH+]c(N3CCC[C@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629616 719106068 /nfs/dbraw/zinc/10/60/68/719106068.db2.gz SWAPGAQODLAZLK-PZJWPPBQSA-N 2 1 359.477 3.368 20 0 FGADMP Clc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655700346 719327348 /nfs/dbraw/zinc/32/73/48/719327348.db2.gz KQFGBZRUUYZLGD-OXQOHEQNSA-N 2 1 363.933 3.009 20 0 FGADMP Clc1ccc2sc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)nc2c1 ZINC000655732144 719331204 /nfs/dbraw/zinc/33/12/04/719331204.db2.gz YWQBQOYONKMXHF-OAHLLOKOSA-N 2 1 365.930 3.335 20 0 FGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c(Cl)c1 ZINC000655735548 719331631 /nfs/dbraw/zinc/33/16/31/719331631.db2.gz JFMCBDGGNTYRDW-INIZCTEOSA-N 2 1 352.881 3.354 20 0 FGADMP Cc1nn2c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC000656783071 719470158 /nfs/dbraw/zinc/47/01/58/719470158.db2.gz NUHPGDDRLGUTEE-INIZCTEOSA-N 2 1 361.559 3.434 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3ccc(F)cc3n2)c2c1CC[NH2+]C2 ZINC001164679550 719640887 /nfs/dbraw/zinc/64/08/87/719640887.db2.gz GFUAQRDFRJKJFY-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3ccc(F)cc3n2)c2c1CC[NH2+]C2 ZINC001164679550 719640899 /nfs/dbraw/zinc/64/08/99/719640899.db2.gz GFUAQRDFRJKJFY-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657860390 719722440 /nfs/dbraw/zinc/72/24/40/719722440.db2.gz GRJJWXHHVZNKMI-RBUKOAKNSA-N 2 1 366.571 3.381 20 0 FGADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657860390 719722443 /nfs/dbraw/zinc/72/24/43/719722443.db2.gz GRJJWXHHVZNKMI-RBUKOAKNSA-N 2 1 366.571 3.381 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657924542 719731672 /nfs/dbraw/zinc/73/16/72/719731672.db2.gz BHJLJKUVRXZXPB-VHSSKADRSA-N 2 1 353.457 3.438 20 0 FGADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000659312397 719894614 /nfs/dbraw/zinc/89/46/14/719894614.db2.gz XVIGPIJGUXPCBU-RBUKOAKNSA-N 2 1 355.869 3.048 20 0 FGADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274542 720407913 /nfs/dbraw/zinc/40/79/13/720407913.db2.gz VMZLBOCJCCUIKR-RYUDHWBXSA-N 2 1 358.711 3.319 20 0 FGADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662274542 720407917 /nfs/dbraw/zinc/40/79/17/720407917.db2.gz VMZLBOCJCCUIKR-RYUDHWBXSA-N 2 1 358.711 3.319 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294677 720411511 /nfs/dbraw/zinc/41/15/11/720411511.db2.gz DRPKMKUVKDMYJL-NVXWUHKLSA-N 2 1 361.555 3.447 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662356222 720418210 /nfs/dbraw/zinc/41/82/10/720418210.db2.gz LVWFIKANICUAKT-MRXNPFEDSA-N 2 1 358.313 3.245 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662433125 720427997 /nfs/dbraw/zinc/42/79/97/720427997.db2.gz WJUJEHBFGMDNOZ-KRWDZBQOSA-N 2 1 372.340 3.492 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662442965 720428891 /nfs/dbraw/zinc/42/88/91/720428891.db2.gz WZUGOOYUQZNLMW-MRXNPFEDSA-N 2 1 370.335 3.077 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662475875 720432748 /nfs/dbraw/zinc/43/27/48/720432748.db2.gz IXVZSZZNTXCWIJ-QGZVFWFLSA-N 2 1 372.340 3.492 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662510035 720436708 /nfs/dbraw/zinc/43/67/08/720436708.db2.gz BFRKBTIIEDDGEK-POZUXBRTSA-N 2 1 351.922 3.213 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662510035 720436709 /nfs/dbraw/zinc/43/67/09/720436709.db2.gz BFRKBTIIEDDGEK-POZUXBRTSA-N 2 1 351.922 3.213 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccc(Cl)c1 ZINC000662591567 720444051 /nfs/dbraw/zinc/44/40/51/720444051.db2.gz UDUZBCLKXILNOJ-HKUYNNGSSA-N 2 1 363.933 3.181 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662700853 720453305 /nfs/dbraw/zinc/45/33/05/720453305.db2.gz LGNDOHFSZUHHOZ-UHFFFAOYSA-N 2 1 373.547 3.195 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368284 720506512 /nfs/dbraw/zinc/50/65/12/720506512.db2.gz CSEXLWSAMMVCAO-IRXDYDNUSA-N 2 1 356.432 3.192 20 0 FGADMP OC1CC[NH+](CCCNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000663403115 720510475 /nfs/dbraw/zinc/51/04/75/720510475.db2.gz SOXFFEYCNNYKMM-UHFFFAOYSA-N 2 1 364.287 3.256 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001164836837 720618911 /nfs/dbraw/zinc/61/89/11/720618911.db2.gz HBADMMOODWPPQS-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001164836837 720618924 /nfs/dbraw/zinc/61/89/24/720618924.db2.gz HBADMMOODWPPQS-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@H+]3C2)c1 ZINC001164898110 721515866 /nfs/dbraw/zinc/51/58/66/721515866.db2.gz HTXNBLIDXJTBHV-AEFFLSMTSA-N 2 1 352.413 3.044 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000678077121 721937426 /nfs/dbraw/zinc/93/74/26/721937426.db2.gz JFPPVMJAGBFOMU-KRWDZBQOSA-N 2 1 355.404 3.488 20 0 FGADMP C[NH+](C)CC1CCN(c2[nH+]cnc3c2ccn3Cc2ccc(F)cc2)CC1 ZINC001165041751 721946236 /nfs/dbraw/zinc/94/62/36/721946236.db2.gz KBKAKDAUBQJQEB-UHFFFAOYSA-N 2 1 367.472 3.397 20 0 FGADMP Cc1cc(C)[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164961150 722052161 /nfs/dbraw/zinc/05/21/61/722052161.db2.gz SIJMRRFPATXEPV-UHFFFAOYSA-N 2 1 366.509 3.212 20 0 FGADMP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1C ZINC001164961758 722060272 /nfs/dbraw/zinc/06/02/72/722060272.db2.gz OYHKQKLVNNYLEX-UHFFFAOYSA-N 2 1 366.509 3.212 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1Cl ZINC000750735450 722779380 /nfs/dbraw/zinc/77/93/80/722779380.db2.gz XJUPPCCVMMIEOJ-YUIUBULTSA-N 2 1 363.933 3.228 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000754183848 722930857 /nfs/dbraw/zinc/93/08/57/722930857.db2.gz OMSKZTDAEFSSCT-KRWDZBQOSA-N 2 1 350.507 3.255 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881860 723100974 /nfs/dbraw/zinc/10/09/74/723100974.db2.gz SUIGSVUUNSXIST-KSZLIROESA-N 2 1 351.535 3.335 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881860 723100984 /nfs/dbraw/zinc/10/09/84/723100984.db2.gz SUIGSVUUNSXIST-KSZLIROESA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881860 723100987 /nfs/dbraw/zinc/10/09/87/723100987.db2.gz SUIGSVUUNSXIST-KSZLIROESA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881860 723100993 /nfs/dbraw/zinc/10/09/93/723100993.db2.gz SUIGSVUUNSXIST-KSZLIROESA-N 2 1 351.535 3.335 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765259993 723499129 /nfs/dbraw/zinc/49/91/29/723499129.db2.gz QDAGHBSLWZCJCA-MNEFBYGVSA-N 2 1 354.922 3.100 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000766120637 723556847 /nfs/dbraw/zinc/55/68/47/723556847.db2.gz AENJUUYNQWJQMK-BHIYHBOVSA-N 2 1 350.572 3.379 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000766120637 723556848 /nfs/dbraw/zinc/55/68/48/723556848.db2.gz AENJUUYNQWJQMK-BHIYHBOVSA-N 2 1 350.572 3.379 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000795126446 723565547 /nfs/dbraw/zinc/56/55/47/723565547.db2.gz WJRBJCJIGHDRSD-MSOLQXFVSA-N 2 1 351.535 3.194 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796279690 723629779 /nfs/dbraw/zinc/62/97/79/723629779.db2.gz DLCSNYPMIKGWJD-ADKAHSJRSA-N 2 1 353.551 3.391 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000796707472 723651224 /nfs/dbraw/zinc/65/12/24/723651224.db2.gz OBEIZURVAFQGOC-XSLAGTTESA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000796736804 723652590 /nfs/dbraw/zinc/65/25/90/723652590.db2.gz HPMCCPJLPMLPMW-TWMKSMIVSA-N 2 1 358.404 3.081 20 0 FGADMP CCC[NH+]1CCC(Nc2ccc(N3CC[NH+](C)CC3)c(Cl)c2)CC1 ZINC000777657871 724248336 /nfs/dbraw/zinc/24/83/36/724248336.db2.gz BWGUKRUCKSBBHQ-UHFFFAOYSA-N 2 1 350.938 3.378 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510061 724859657 /nfs/dbraw/zinc/85/96/57/724859657.db2.gz JIFAVBLTEUCOLC-BSDSXHPESA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510061 724859660 /nfs/dbraw/zinc/85/96/60/724859660.db2.gz JIFAVBLTEUCOLC-BSDSXHPESA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510061 724859662 /nfs/dbraw/zinc/85/96/62/724859662.db2.gz JIFAVBLTEUCOLC-BSDSXHPESA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443374 724913010 /nfs/dbraw/zinc/91/30/10/724913010.db2.gz IMHQCTYBOIFLQE-QZTJIDSGSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443374 724913011 /nfs/dbraw/zinc/91/30/11/724913011.db2.gz IMHQCTYBOIFLQE-QZTJIDSGSA-N 2 1 353.551 3.344 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000787302215 725024119 /nfs/dbraw/zinc/02/41/19/725024119.db2.gz HJWIQEONDUBUMR-IPELMVKDSA-N 2 1 354.922 3.100 20 0 FGADMP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000809618656 725252639 /nfs/dbraw/zinc/25/26/39/725252639.db2.gz LDWMJOBUUOKSIT-RGKRWLCDSA-N 2 1 350.453 3.444 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809749752 725264950 /nfs/dbraw/zinc/26/49/50/725264950.db2.gz JWZVPWOGPDXTTL-HXUWFJFHSA-N 2 1 353.551 3.441 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938039 725276887 /nfs/dbraw/zinc/27/68/87/725276887.db2.gz QLTWXNAKBJPRSJ-QFBILLFUSA-N 2 1 369.912 3.271 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938039 725276890 /nfs/dbraw/zinc/27/68/90/725276890.db2.gz QLTWXNAKBJPRSJ-QFBILLFUSA-N 2 1 369.912 3.271 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468103 725367792 /nfs/dbraw/zinc/36/77/92/725367792.db2.gz ZSXNXBLDQPHHGY-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468103 725367793 /nfs/dbraw/zinc/36/77/93/725367793.db2.gz ZSXNXBLDQPHHGY-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468103 725367795 /nfs/dbraw/zinc/36/77/95/725367795.db2.gz ZSXNXBLDQPHHGY-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525721 725372589 /nfs/dbraw/zinc/37/25/89/725372589.db2.gz XXCYLRUMLVROAB-QMTMVMCOSA-N 2 1 353.482 3.038 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145590 727045103 /nfs/dbraw/zinc/04/51/03/727045103.db2.gz ZHFFFTWJRXBPPU-DBVUQKKJSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145590 727045104 /nfs/dbraw/zinc/04/51/04/727045104.db2.gz ZHFFFTWJRXBPPU-DBVUQKKJSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145590 727045105 /nfs/dbraw/zinc/04/51/05/727045105.db2.gz ZHFFFTWJRXBPPU-DBVUQKKJSA-N 2 1 366.933 3.196 20 0 FGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548331 727174304 /nfs/dbraw/zinc/17/43/04/727174304.db2.gz DJBFVZSCZSDGLN-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548331 727174306 /nfs/dbraw/zinc/17/43/06/727174306.db2.gz DJBFVZSCZSDGLN-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641945 727183948 /nfs/dbraw/zinc/18/39/48/727183948.db2.gz KJEIJDNIQKGITC-WOJBJXKFSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641945 727183950 /nfs/dbraw/zinc/18/39/50/727183950.db2.gz KJEIJDNIQKGITC-WOJBJXKFSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641945 727183952 /nfs/dbraw/zinc/18/39/52/727183952.db2.gz KJEIJDNIQKGITC-WOJBJXKFSA-N 2 1 351.535 3.051 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(Cn3ccn(C(C)C)c3=S)CC2)CC1 ZINC000817373371 727244784 /nfs/dbraw/zinc/24/47/84/727244784.db2.gz OZTONPMRKLBLSO-UHFFFAOYSA-N 2 1 365.591 3.049 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(Cn3ccn(C(C)C)c3=S)CC2)CC1 ZINC000817373371 727244786 /nfs/dbraw/zinc/24/47/86/727244786.db2.gz OZTONPMRKLBLSO-UHFFFAOYSA-N 2 1 365.591 3.049 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931328 727288322 /nfs/dbraw/zinc/28/83/22/727288322.db2.gz QOSTVNUSEBYNAK-KKXDTOCCSA-N 2 1 363.299 3.031 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984627 727334416 /nfs/dbraw/zinc/33/44/16/727334416.db2.gz JLZKGGSAJAKHNX-SUMWQHHRSA-N 2 1 373.310 3.332 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccnc(Cl)c2F)c2cccs2)CC1 ZINC000823578553 729290262 /nfs/dbraw/zinc/29/02/62/729290262.db2.gz CBPAQCFGHYRPDI-AWEZNQCLSA-N 2 1 368.909 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831822567 729669909 /nfs/dbraw/zinc/66/99/09/729669909.db2.gz FBKSOZDHTXUIKN-UHFFFAOYSA-N 2 1 350.507 3.351 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831822567 729669911 /nfs/dbraw/zinc/66/99/11/729669911.db2.gz FBKSOZDHTXUIKN-UHFFFAOYSA-N 2 1 350.507 3.351 20 0 FGADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834518032 729809444 /nfs/dbraw/zinc/80/94/44/729809444.db2.gz CUEASJOAERBREH-SJORKVTESA-N 2 1 350.507 3.349 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128405 730589291 /nfs/dbraw/zinc/58/92/91/730589291.db2.gz XGJDZPHUFLTKJS-VXGBXAGGSA-N 2 1 364.843 3.304 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128405 730589293 /nfs/dbraw/zinc/58/92/93/730589293.db2.gz XGJDZPHUFLTKJS-VXGBXAGGSA-N 2 1 364.843 3.304 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843400633 730615123 /nfs/dbraw/zinc/61/51/23/730615123.db2.gz VMDVBRKKYHWGBB-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCCCC[NH3+])CC1 ZINC000846222500 730937406 /nfs/dbraw/zinc/93/74/06/730937406.db2.gz FAORZTANQMJLLP-QGZVFWFLSA-N 2 1 350.526 3.137 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846839868 730986444 /nfs/dbraw/zinc/98/64/44/730986444.db2.gz HHEGEAMAFFFEHQ-UHFFFAOYSA-N 2 1 357.901 3.445 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(Cl)c(F)c2)CC1 ZINC000846839868 730986445 /nfs/dbraw/zinc/98/64/45/730986445.db2.gz HHEGEAMAFFFEHQ-UHFFFAOYSA-N 2 1 357.901 3.445 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000846856402 730988129 /nfs/dbraw/zinc/98/81/29/730988129.db2.gz GCODXDDDDFTNED-DOTOQJQBSA-N 2 1 350.507 3.026 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000848534213 731177161 /nfs/dbraw/zinc/17/71/61/731177161.db2.gz PTLIBJSIEQLXRG-RHSMWYFYSA-N 2 1 373.324 3.260 20 0 FGADMP Cn1c(Cl)ncc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000848543200 731178666 /nfs/dbraw/zinc/17/86/66/731178666.db2.gz ILLJWISEJMJMBY-UHFFFAOYSA-N 2 1 361.921 3.464 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc12 ZINC000849350522 731251518 /nfs/dbraw/zinc/25/15/18/731251518.db2.gz OZPASZSLESOQBE-OAHLLOKOSA-N 2 1 361.921 3.142 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000850379857 731350332 /nfs/dbraw/zinc/35/03/32/731350332.db2.gz HNEFQOAFDVEGFM-KANFNMMFSA-N 2 1 350.453 3.443 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@H+]1Cc1ccccc1 ZINC000850379857 731350335 /nfs/dbraw/zinc/35/03/35/731350335.db2.gz HNEFQOAFDVEGFM-KANFNMMFSA-N 2 1 350.453 3.443 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107751 731544141 /nfs/dbraw/zinc/54/41/41/731544141.db2.gz PVCWTWPKIDHXTE-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107751 731544143 /nfs/dbraw/zinc/54/41/43/731544143.db2.gz PVCWTWPKIDHXTE-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107751 731544145 /nfs/dbraw/zinc/54/41/45/731544145.db2.gz PVCWTWPKIDHXTE-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745978 731629491 /nfs/dbraw/zinc/62/94/91/731629491.db2.gz FYHAFPCQULJWMP-JKSUJKDBSA-N 2 1 366.937 3.159 20 0 FGADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CCC2SCCS2)CC1 ZINC000853023630 731651145 /nfs/dbraw/zinc/65/11/45/731651145.db2.gz FFFQBZHFFXSFAT-UHFFFAOYSA-N 2 1 366.600 3.252 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC000859479342 732336066 /nfs/dbraw/zinc/33/60/66/732336066.db2.gz GNEAIWWTYRHYAL-KRWDZBQOSA-N 2 1 350.507 3.159 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C(C)C ZINC000859479342 732336072 /nfs/dbraw/zinc/33/60/72/732336072.db2.gz GNEAIWWTYRHYAL-KRWDZBQOSA-N 2 1 350.507 3.159 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025759 735577864 /nfs/dbraw/zinc/57/78/64/735577864.db2.gz SPABTKCTRWWJGC-HFTRVMKXSA-N 2 1 367.331 3.458 20 0 FGADMP CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158877 735597227 /nfs/dbraw/zinc/59/72/27/735597227.db2.gz YTVJSUCJYOMGKG-PBHICJAKSA-N 2 1 350.532 3.221 20 0 FGADMP CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158877 735597228 /nfs/dbraw/zinc/59/72/28/735597228.db2.gz YTVJSUCJYOMGKG-PBHICJAKSA-N 2 1 350.532 3.221 20 0 FGADMP CCOc1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)s1 ZINC000872744743 735670780 /nfs/dbraw/zinc/67/07/80/735670780.db2.gz YRCZZJLVLUWJDM-UHFFFAOYSA-N 2 1 358.577 3.330 20 0 FGADMP CCOc1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)s1 ZINC000872744743 735670782 /nfs/dbraw/zinc/67/07/82/735670782.db2.gz YRCZZJLVLUWJDM-UHFFFAOYSA-N 2 1 358.577 3.330 20 0 FGADMP C[N@@H+](C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000876690560 736131962 /nfs/dbraw/zinc/13/19/62/736131962.db2.gz NBBYZXKMECKNIY-CQSZACIVSA-N 2 1 367.456 3.106 20 0 FGADMP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000877190432 736196596 /nfs/dbraw/zinc/19/65/96/736196596.db2.gz FISZERZLTIYBNU-SFHVURJKSA-N 2 1 359.901 3.169 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000877190843 736197180 /nfs/dbraw/zinc/19/71/80/736197180.db2.gz BDTXIBYDWJDCEV-GIIVHJRKSA-N 2 1 368.458 3.066 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Br ZINC000877653919 736700532 /nfs/dbraw/zinc/70/05/32/736700532.db2.gz RNOTXULTXMYDSZ-AWEZNQCLSA-N 2 1 369.303 3.057 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000877653919 736700534 /nfs/dbraw/zinc/70/05/34/736700534.db2.gz RNOTXULTXMYDSZ-AWEZNQCLSA-N 2 1 369.303 3.057 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884184139 737641428 /nfs/dbraw/zinc/64/14/28/737641428.db2.gz HHPDSXVNCDKIFW-INIZCTEOSA-N 2 1 357.420 3.036 20 0 FGADMP C[NH+](C)[C@@]1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536499 739265550 /nfs/dbraw/zinc/26/55/50/739265550.db2.gz IYGUISALVYFKRI-JSXRDJHFSA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536499 739265555 /nfs/dbraw/zinc/26/55/55/739265555.db2.gz IYGUISALVYFKRI-JSXRDJHFSA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536499 739265557 /nfs/dbraw/zinc/26/55/57/739265557.db2.gz IYGUISALVYFKRI-JSXRDJHFSA-N 2 1 359.583 3.066 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626486 739277447 /nfs/dbraw/zinc/27/74/47/739277447.db2.gz CQCXRLYSFDHKHG-XCDZQEORSA-N 2 1 350.453 3.178 20 0 FGADMP Cc1[nH]c(C2CC[NH+](C[C@H](O)COc3ccccc3Cl)CC2)[nH+]c1C ZINC000886670800 739281036 /nfs/dbraw/zinc/28/10/36/739281036.db2.gz WPEOICRSZXEWJT-INIZCTEOSA-N 2 1 363.889 3.299 20 0 FGADMP CSCc1n[nH]c(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000886757262 739292290 /nfs/dbraw/zinc/29/22/90/739292290.db2.gz AYFGANPFNXJTHT-UHFFFAOYSA-N 2 1 359.543 3.201 20 0 FGADMP CSCc1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000886757262 739292292 /nfs/dbraw/zinc/29/22/92/739292292.db2.gz AYFGANPFNXJTHT-UHFFFAOYSA-N 2 1 359.543 3.201 20 0 FGADMP CSCc1nnc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000886757262 739292296 /nfs/dbraw/zinc/29/22/96/739292296.db2.gz AYFGANPFNXJTHT-UHFFFAOYSA-N 2 1 359.543 3.201 20 0 FGADMP FC(F)(F)SCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000886841711 739311043 /nfs/dbraw/zinc/31/10/43/739311043.db2.gz SVFVDEQBIHSQER-UHFFFAOYSA-N 2 1 362.465 3.309 20 0 FGADMP C[NH+]1CCC2(CCN2C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000889220009 739643396 /nfs/dbraw/zinc/64/33/96/739643396.db2.gz IQLKDURGLIHCEV-GOSISDBHSA-N 2 1 361.917 3.001 20 0 FGADMP C[NH+]1CCC2(CCN2C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000889220009 739643400 /nfs/dbraw/zinc/64/34/00/739643400.db2.gz IQLKDURGLIHCEV-GOSISDBHSA-N 2 1 361.917 3.001 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000891597155 739919526 /nfs/dbraw/zinc/91/95/26/739919526.db2.gz LBLIWNYUTQRJRG-FUHWJXTLSA-N 2 1 366.575 3.292 20 0 FGADMP Clc1n[nH]c(C2CC2)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000892130593 739967755 /nfs/dbraw/zinc/96/77/55/739967755.db2.gz OERWKCWVPPEPDH-UHFFFAOYSA-N 2 1 352.910 3.017 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000892587563 740020012 /nfs/dbraw/zinc/02/00/12/740020012.db2.gz AJUOFLJQCUEISQ-GASCZTMLSA-N 2 1 353.532 3.168 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C(F)(F)F ZINC000892606867 740022499 /nfs/dbraw/zinc/02/24/99/740022499.db2.gz FTWJKJWMZKLGKC-NPJQDHAYSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)C[C@H]1C(F)(F)F ZINC000892624826 740024995 /nfs/dbraw/zinc/02/49/95/740024995.db2.gz WVUTZCZWPVOURT-RRFJBIMHSA-N 2 1 361.408 3.082 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC000894858413 742343399 /nfs/dbraw/zinc/34/33/99/742343399.db2.gz FPRDFLOVJZMSEK-CAOSSQGBSA-N 2 1 364.452 3.218 20 0 FGADMP Cn1c(Cl)cnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520401 742804493 /nfs/dbraw/zinc/80/44/93/742804493.db2.gz XVBCAYWAYTVRHX-FGTMMUONSA-N 2 1 358.917 3.464 20 0 FGADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900435547 743112572 /nfs/dbraw/zinc/11/25/72/743112572.db2.gz PKNBIYCNCFPYPY-MJGOQNOKSA-N 2 1 361.555 3.093 20 0 FGADMP Clc1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc2c1OCCO2 ZINC000903082193 743802871 /nfs/dbraw/zinc/80/28/71/743802871.db2.gz QYYXNTNMJGQNLY-ZXFUBFMLSA-N 2 1 362.901 3.401 20 0 FGADMP FC(F)(F)[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000903180621 743818563 /nfs/dbraw/zinc/81/85/63/743818563.db2.gz GJUGQMXDPDAEDS-MSOLQXFVSA-N 2 1 356.432 3.393 20 0 FGADMP FC(F)(F)[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000903180622 743818636 /nfs/dbraw/zinc/81/86/36/743818636.db2.gz GJUGQMXDPDAEDS-QZTJIDSGSA-N 2 1 356.432 3.393 20 0 FGADMP C[N@H+](Cc1cc(Br)cs1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721615 743879363 /nfs/dbraw/zinc/87/93/63/743879363.db2.gz BQMLXECXMUSYSJ-CYBMUJFWSA-N 2 1 359.333 3.101 20 0 FGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885666 743892256 /nfs/dbraw/zinc/89/22/56/743892256.db2.gz IOTJOYQRTMCQLO-IAGOWNOFSA-N 2 1 359.905 3.063 20 0 FGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897751 743893429 /nfs/dbraw/zinc/89/34/29/743893429.db2.gz JKOOSYAKHUZIDN-CVEARBPZSA-N 2 1 363.575 3.427 20 0 FGADMP FC(F)Oc1cccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)c1 ZINC000903900104 743894202 /nfs/dbraw/zinc/89/42/02/743894202.db2.gz ZXVWUVZKCZELLM-NZZOQPFGSA-N 2 1 352.425 3.192 20 0 FGADMP Fc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OCC(F)(F)F ZINC000903957006 743905249 /nfs/dbraw/zinc/90/52/49/743905249.db2.gz OWDRVUJYTRINTB-NSHDSACASA-N 2 1 356.310 3.101 20 0 FGADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000904406183 743952825 /nfs/dbraw/zinc/95/28/25/743952825.db2.gz SYUCVGMUFUJOAS-CQSZACIVSA-N 2 1 362.474 3.138 20 0 FGADMP CC(=O)N(c1nc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000904406183 743952828 /nfs/dbraw/zinc/95/28/28/743952828.db2.gz SYUCVGMUFUJOAS-CQSZACIVSA-N 2 1 362.474 3.138 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000904639710 743965715 /nfs/dbraw/zinc/96/57/15/743965715.db2.gz LBVXBLLQJGTLSD-QZTJIDSGSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000904639710 743965716 /nfs/dbraw/zinc/96/57/16/743965716.db2.gz LBVXBLLQJGTLSD-QZTJIDSGSA-N 2 1 358.873 3.366 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074331 743991545 /nfs/dbraw/zinc/99/15/45/743991545.db2.gz GQXYJUYOFFHFGO-HIFRSBDPSA-N 2 1 350.450 3.253 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074331 743991546 /nfs/dbraw/zinc/99/15/46/743991546.db2.gz GQXYJUYOFFHFGO-HIFRSBDPSA-N 2 1 350.450 3.253 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC[NH2+]C(C)(C)C)C2)s1 ZINC000935884005 761963770 /nfs/dbraw/zinc/96/37/70/761963770.db2.gz ZOOGIMNWJHILBG-MRXNPFEDSA-N 2 1 351.560 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccsc3)CC2(C)C)CC[N@H+]1C ZINC000940757147 762159779 /nfs/dbraw/zinc/15/97/79/762159779.db2.gz TUUHWZAQFWQOPT-KSZLIROESA-N 2 1 363.571 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccsc3)CC2(C)C)CC[NH+]1C ZINC000940757147 762159786 /nfs/dbraw/zinc/15/97/86/762159786.db2.gz TUUHWZAQFWQOPT-KSZLIROESA-N 2 1 363.571 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccsc3)CC2(C)C)CC[NH+]1C ZINC000940757147 762159795 /nfs/dbraw/zinc/15/97/95/762159795.db2.gz TUUHWZAQFWQOPT-KSZLIROESA-N 2 1 363.571 3.195 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C2 ZINC000922387730 758909223 /nfs/dbraw/zinc/90/92/23/758909223.db2.gz AKEFHBFQDJDJNI-YXYQLMTNSA-N 2 1 350.453 3.047 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@@H]1C(C)C ZINC000922392794 758912670 /nfs/dbraw/zinc/91/26/70/758912670.db2.gz HFZITNCXAWMMDX-SKWUIDRYSA-N 2 1 352.906 3.005 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@@H]1C(C)C ZINC000922395632 758913827 /nfs/dbraw/zinc/91/38/27/758913827.db2.gz XUCSLZOVPGLCDX-AHEZYBDSSA-N 2 1 372.340 3.348 20 0 FGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372910 759106933 /nfs/dbraw/zinc/10/69/33/759106933.db2.gz KIFUAURFWWSCJB-HOCLYGCPSA-N 2 1 361.313 3.230 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1OC ZINC000923495280 759132261 /nfs/dbraw/zinc/13/22/61/759132261.db2.gz BECTZDUBNIQSOU-ZFWWWQNUSA-N 2 1 361.511 3.244 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C3CC3)C3CCOCC3)CCCC2)CC1 ZINC000924996641 759430601 /nfs/dbraw/zinc/43/06/01/759430601.db2.gz BNYKAUKBSVULBA-HXUWFJFHSA-N 2 1 350.547 3.205 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(F)c1 ZINC000925784299 759537649 /nfs/dbraw/zinc/53/76/49/759537649.db2.gz QKHRMZMETGQFCY-ONGXEEELSA-N 2 1 351.210 3.484 20 0 FGADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784474 759537844 /nfs/dbraw/zinc/53/78/44/759537844.db2.gz SBJUQDNILHAYIX-XPTSAGLGSA-N 2 1 363.221 3.410 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1(Br)CC1 ZINC000926126901 759658302 /nfs/dbraw/zinc/65/83/02/759658302.db2.gz SOJTXJFLSJGVKA-YOEHRIQHSA-N 2 1 367.331 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926910229 759844965 /nfs/dbraw/zinc/84/49/65/759844965.db2.gz JNSJEPRADFUXSZ-QAETUUGQSA-N 2 1 366.468 3.213 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926910230 759844996 /nfs/dbraw/zinc/84/49/96/759844996.db2.gz JNSJEPRADFUXSZ-QZWWFDLISA-N 2 1 366.468 3.213 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@@H]2CCC[C@H]21 ZINC000927161233 759910062 /nfs/dbraw/zinc/91/00/62/759910062.db2.gz GNFWXBZLUZAEHX-QTMHVTGLSA-N 2 1 350.547 3.202 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747082 760447640 /nfs/dbraw/zinc/44/76/40/760447640.db2.gz ARNVTGDUQOHYQY-SQNIBIBYSA-N 2 1 353.551 3.344 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2csc(C)c2)CC[N@H+]1C ZINC000960007382 762730689 /nfs/dbraw/zinc/73/06/89/762730689.db2.gz FKKPZUNEYOBMJO-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000969691836 762860504 /nfs/dbraw/zinc/86/05/04/762860504.db2.gz YEJWMZZVPHNQPB-DUVNUKRYSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000969691836 762860513 /nfs/dbraw/zinc/86/05/13/762860513.db2.gz YEJWMZZVPHNQPB-DUVNUKRYSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(Cl)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995828433 764970622 /nfs/dbraw/zinc/97/06/22/764970622.db2.gz XZLLSCCOFLQUMF-YUELXQCFSA-N 2 1 369.962 3.068 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002850845 765347888 /nfs/dbraw/zinc/34/78/88/765347888.db2.gz BKPZQAXYQBRSRS-NVXWUHKLSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3C/C=C/Cl)CC2)CC[N@H+]1C ZINC001004453927 765432876 /nfs/dbraw/zinc/43/28/76/765432876.db2.gz XUKPNMZULFGHTI-VRJNFQLHSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3C/C=C/Cl)CC2)CC[NH+]1C ZINC001004453927 765432878 /nfs/dbraw/zinc/43/28/78/765432878.db2.gz XUKPNMZULFGHTI-VRJNFQLHSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3C/C=C/Cl)CC2)CC[NH+]1C ZINC001004453927 765432884 /nfs/dbraw/zinc/43/28/84/765432884.db2.gz XUKPNMZULFGHTI-VRJNFQLHSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH+](C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001017132001 765831153 /nfs/dbraw/zinc/83/11/53/765831153.db2.gz HVBFYTIUOZAUSU-NZSAHSFTSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@H+](C)Cc3ccsc3)C2)CC[NH+]1C ZINC001017132001 765831161 /nfs/dbraw/zinc/83/11/61/765831161.db2.gz HVBFYTIUOZAUSU-NZSAHSFTSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[N@@H+](C)Cc3ccsc3)C2)CC[NH+]1C ZINC001017132001 765831168 /nfs/dbraw/zinc/83/11/68/765831168.db2.gz HVBFYTIUOZAUSU-NZSAHSFTSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001022106058 765974067 /nfs/dbraw/zinc/97/40/67/765974067.db2.gz DTWWDKBMTHIKEX-BBHOWBALSA-N 2 1 363.933 3.368 20 0 FGADMP Cc1cc(C[NH+]2CCC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377400 766036717 /nfs/dbraw/zinc/03/67/17/766036717.db2.gz KSFCRDDMFPYXHP-HHXXYDBFSA-N 2 1 363.571 3.033 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377400 766036724 /nfs/dbraw/zinc/03/67/24/766036724.db2.gz KSFCRDDMFPYXHP-HHXXYDBFSA-N 2 1 363.571 3.033 20 0 FGADMP Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377400 766036729 /nfs/dbraw/zinc/03/67/29/766036729.db2.gz KSFCRDDMFPYXHP-HHXXYDBFSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2sccc2Cl)CC[N@@H+]1C ZINC001027893392 766104758 /nfs/dbraw/zinc/10/47/58/766104758.db2.gz UVWWBBHBRBZJOY-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2sccc2Cl)CC[N@H+]1C ZINC001027893392 766104762 /nfs/dbraw/zinc/10/47/62/766104762.db2.gz UVWWBBHBRBZJOY-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001027893392 766104765 /nfs/dbraw/zinc/10/47/65/766104765.db2.gz UVWWBBHBRBZJOY-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001027893392 766104770 /nfs/dbraw/zinc/10/47/70/766104770.db2.gz UVWWBBHBRBZJOY-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001029741692 766150406 /nfs/dbraw/zinc/15/04/06/766150406.db2.gz AOGPCAKMCBVIGU-RBSFLKMASA-N 2 1 369.962 3.022 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC001029741692 766150409 /nfs/dbraw/zinc/15/04/09/766150409.db2.gz AOGPCAKMCBVIGU-RBSFLKMASA-N 2 1 369.962 3.022 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001033097106 766207487 /nfs/dbraw/zinc/20/74/87/766207487.db2.gz VZRYWLYWVCFAOH-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001033097106 766207490 /nfs/dbraw/zinc/20/74/90/766207490.db2.gz VZRYWLYWVCFAOH-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001033097106 766207492 /nfs/dbraw/zinc/20/74/92/766207492.db2.gz VZRYWLYWVCFAOH-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001033097106 766207495 /nfs/dbraw/zinc/20/74/95/766207495.db2.gz VZRYWLYWVCFAOH-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000048745037 257344075 /nfs/dbraw/zinc/34/40/75/257344075.db2.gz SAGNUMNEQUCOPT-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302145614 257385331 /nfs/dbraw/zinc/38/53/31/257385331.db2.gz JBVYGVDKPPBAKX-PXAZEXFGSA-N 2 1 362.836 3.078 20 0 FGADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)c1ccc(F)cc1 ZINC000579580709 505580040 /nfs/dbraw/zinc/58/00/40/505580040.db2.gz ZQNLXWIPHIYEAD-YOFSQIOKSA-N 2 1 353.441 3.451 20 0 FGADMP CCn1nc(C)c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750272 505585742 /nfs/dbraw/zinc/58/57/42/505585742.db2.gz WLRADASWNNNHNL-RTWAWAEBSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750272 505585746 /nfs/dbraw/zinc/58/57/46/505585746.db2.gz WLRADASWNNNHNL-RTWAWAEBSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750272 505585750 /nfs/dbraw/zinc/58/57/50/505585750.db2.gz WLRADASWNNNHNL-RTWAWAEBSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750272 505585754 /nfs/dbraw/zinc/58/57/54/505585754.db2.gz WLRADASWNNNHNL-RTWAWAEBSA-N 2 1 352.526 3.474 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000573645655 505585988 /nfs/dbraw/zinc/58/59/88/505585988.db2.gz JNBHHSPPJRCMDX-OALUTQOASA-N 2 1 360.542 3.394 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000570839873 505592439 /nfs/dbraw/zinc/59/24/39/505592439.db2.gz PEQUILKREUUNQL-PKOBYXMFSA-N 2 1 372.538 3.089 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000579659279 505595470 /nfs/dbraw/zinc/59/54/70/505595470.db2.gz WSRVDUOBBHCTGL-QZTJIDSGSA-N 2 1 364.534 3.226 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568052823 505603897 /nfs/dbraw/zinc/60/38/97/505603897.db2.gz JMVRNRAUKUNXLY-GOSISDBHSA-N 2 1 372.557 3.189 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000570928481 505613901 /nfs/dbraw/zinc/61/39/01/505613901.db2.gz GLERSDYYMIIOBW-INIZCTEOSA-N 2 1 357.267 3.043 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000570928481 505613905 /nfs/dbraw/zinc/61/39/05/505613905.db2.gz GLERSDYYMIIOBW-INIZCTEOSA-N 2 1 357.267 3.043 20 0 FGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163911 505632040 /nfs/dbraw/zinc/63/20/40/505632040.db2.gz DQWLPQCXLHMNRD-ZWKOTPCHSA-N 2 1 358.530 3.109 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163911 505632043 /nfs/dbraw/zinc/63/20/43/505632043.db2.gz DQWLPQCXLHMNRD-ZWKOTPCHSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163911 505632046 /nfs/dbraw/zinc/63/20/46/505632046.db2.gz DQWLPQCXLHMNRD-ZWKOTPCHSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163911 505632050 /nfs/dbraw/zinc/63/20/50/505632050.db2.gz DQWLPQCXLHMNRD-ZWKOTPCHSA-N 2 1 358.530 3.109 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000579979254 505656394 /nfs/dbraw/zinc/65/63/94/505656394.db2.gz DFKAJYMEPPVZBP-JOCHJYFZSA-N 2 1 357.542 3.151 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000573949758 505658914 /nfs/dbraw/zinc/65/89/14/505658914.db2.gz AUBVZJCXQVVPBR-QRQLOZEOSA-N 2 1 367.497 3.309 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCOC1 ZINC000568302481 505662036 /nfs/dbraw/zinc/66/20/36/505662036.db2.gz CGMOETLUKVLWEA-NNWRFLSQSA-N 2 1 372.553 3.320 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577081922 505660555 /nfs/dbraw/zinc/66/05/55/505660555.db2.gz HTOZELJPCIRGTR-HNNXBMFYSA-N 2 1 370.522 3.385 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105853 505665187 /nfs/dbraw/zinc/66/51/87/505665187.db2.gz WSWHEZQWBQFPFP-QGZVFWFLSA-N 2 1 352.592 3.289 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)nc2ccccc12 ZINC000075935783 493797019 /nfs/dbraw/zinc/79/70/19/493797019.db2.gz QVQVVIYAJLVTJX-IAGOWNOFSA-N 2 1 368.525 3.259 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110017 493824240 /nfs/dbraw/zinc/82/42/40/493824240.db2.gz HLHRQNPJPRSDJI-HXUWFJFHSA-N 2 1 351.494 3.469 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110017 493824245 /nfs/dbraw/zinc/82/42/45/493824245.db2.gz HLHRQNPJPRSDJI-HXUWFJFHSA-N 2 1 351.494 3.469 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110017 493824250 /nfs/dbraw/zinc/82/42/50/493824250.db2.gz HLHRQNPJPRSDJI-HXUWFJFHSA-N 2 1 351.494 3.469 20 0 FGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000049553795 493875484 /nfs/dbraw/zinc/87/54/84/493875484.db2.gz RYNBISYBVRYCPX-GFCCVEGCSA-N 2 1 357.292 3.040 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C(C3CC3)C3CC3)CC2)cc1 ZINC000050988622 493940731 /nfs/dbraw/zinc/94/07/31/493940731.db2.gz UYBMZDSFMNBXNP-UHFFFAOYSA-N 2 1 369.553 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C(C3CC3)C3CC3)CC2)cc1 ZINC000050988622 493940734 /nfs/dbraw/zinc/94/07/34/493940734.db2.gz UYBMZDSFMNBXNP-UHFFFAOYSA-N 2 1 369.553 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C(C3CC3)C3CC3)CC2)cc1 ZINC000050988622 493940739 /nfs/dbraw/zinc/94/07/39/493940739.db2.gz UYBMZDSFMNBXNP-UHFFFAOYSA-N 2 1 369.553 3.150 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081713491 493945809 /nfs/dbraw/zinc/94/58/09/493945809.db2.gz HSAQEKMBZOQOFQ-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081713491 493945814 /nfs/dbraw/zinc/94/58/14/493945814.db2.gz HSAQEKMBZOQOFQ-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000061868894 493996741 /nfs/dbraw/zinc/99/67/41/493996741.db2.gz ZPHKMPXUDYLLPC-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000061868894 493996744 /nfs/dbraw/zinc/99/67/44/493996744.db2.gz ZPHKMPXUDYLLPC-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000061868894 493996747 /nfs/dbraw/zinc/99/67/47/493996747.db2.gz ZPHKMPXUDYLLPC-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000580171378 505694907 /nfs/dbraw/zinc/69/49/07/505694907.db2.gz DAZKVBODRCXTIC-GCJKJVERSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC000052524373 494035596 /nfs/dbraw/zinc/03/55/96/494035596.db2.gz TYXJHKXKVKUNED-DBXWQHBBSA-N 2 1 372.557 3.058 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)C(C)(C)C)CC1 ZINC000052557971 494039807 /nfs/dbraw/zinc/03/98/07/494039807.db2.gz JUPPZRSGPBDJPS-SFHVURJKSA-N 2 1 359.558 3.442 20 0 FGADMP C(CC[NH+]1CCCO[C@H]2CCC[C@@H]21)CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000077316976 494056383 /nfs/dbraw/zinc/05/63/83/494056383.db2.gz LMWCVYULDMBYGC-XSDIEEQYSA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316976 494056385 /nfs/dbraw/zinc/05/63/85/494056385.db2.gz LMWCVYULDMBYGC-XSDIEEQYSA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316976 494056388 /nfs/dbraw/zinc/05/63/88/494056388.db2.gz LMWCVYULDMBYGC-XSDIEEQYSA-N 2 1 350.547 3.444 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000574120247 505697704 /nfs/dbraw/zinc/69/77/04/505697704.db2.gz OBEZQPIMJVVWQO-UHFFFAOYSA-N 2 1 350.503 3.353 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284333 505698114 /nfs/dbraw/zinc/69/81/14/505698114.db2.gz RPUCIKKTPDWZJD-OALUTQOASA-N 2 1 370.468 3.455 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284333 505698117 /nfs/dbraw/zinc/69/81/17/505698117.db2.gz RPUCIKKTPDWZJD-OALUTQOASA-N 2 1 370.468 3.455 20 0 FGADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000063745929 494083288 /nfs/dbraw/zinc/08/32/88/494083288.db2.gz DPOFQYFIMCXNRY-RBUKOAKNSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000577275441 505698787 /nfs/dbraw/zinc/69/87/87/505698787.db2.gz YKZIFMBMHCVBSW-IMFGXOCKSA-N 2 1 362.514 3.463 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)[C@@H]1c1cccs1 ZINC000577275441 505698790 /nfs/dbraw/zinc/69/87/90/505698790.db2.gz YKZIFMBMHCVBSW-IMFGXOCKSA-N 2 1 362.514 3.463 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000085386981 494118043 /nfs/dbraw/zinc/11/80/43/494118043.db2.gz FPBOYYHLSPHNNI-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP Ic1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000088183181 494211329 /nfs/dbraw/zinc/21/13/29/494211329.db2.gz CHEWWDRZVWZTNU-INIZCTEOSA-N 2 1 370.278 3.255 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000072694661 494235412 /nfs/dbraw/zinc/23/54/12/494235412.db2.gz ZVGHCMWIFGSFOQ-UHFFFAOYSA-N 2 1 356.514 3.261 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cn3ccsc3n2)CC1 ZINC000088693845 494255105 /nfs/dbraw/zinc/25/51/05/494255105.db2.gz RSOILFDJNRFKPZ-UHFFFAOYSA-N 2 1 369.538 3.218 20 0 FGADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000088719906 494256826 /nfs/dbraw/zinc/25/68/26/494256826.db2.gz BUBLZNLISIIYED-IRLDBZIGSA-N 2 1 371.569 3.447 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CC1 ZINC000574153715 505707069 /nfs/dbraw/zinc/70/70/69/505707069.db2.gz MZNKFKHDDDCNOK-UHFFFAOYSA-N 2 1 370.541 3.183 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000066044783 494272175 /nfs/dbraw/zinc/27/21/75/494272175.db2.gz IPBPZMBUTGHUFQ-NRFANRHFSA-N 2 1 351.494 3.202 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000078484782 494304710 /nfs/dbraw/zinc/30/47/10/494304710.db2.gz DXGUMXTVRLADGX-MOPGFXCFSA-N 2 1 372.513 3.265 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073033936 494309680 /nfs/dbraw/zinc/30/96/80/494309680.db2.gz ACNICWCEVDTNBF-HKUYNNGSSA-N 2 1 354.498 3.348 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073033936 494309683 /nfs/dbraw/zinc/30/96/83/494309683.db2.gz ACNICWCEVDTNBF-HKUYNNGSSA-N 2 1 354.498 3.348 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000079003278 494390473 /nfs/dbraw/zinc/39/04/73/494390473.db2.gz JMVCRMRZSDUONM-MRXNPFEDSA-N 2 1 352.482 3.492 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000079096902 494403450 /nfs/dbraw/zinc/40/34/50/494403450.db2.gz UZDPUEQGHSWDEX-OAQYLSRUSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000073651801 494407567 /nfs/dbraw/zinc/40/75/67/494407567.db2.gz BXVOPBWGJKNYBH-UXHICEINSA-N 2 1 366.594 3.116 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000073666607 494410236 /nfs/dbraw/zinc/41/02/36/494410236.db2.gz GKRMFKFRDVLNAP-RTWAWAEBSA-N 2 1 372.557 3.339 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000090082447 494438412 /nfs/dbraw/zinc/43/84/12/494438412.db2.gz OCGUVPHKZBYZKQ-BXUZGUMPSA-N 2 1 365.827 3.453 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000073900911 494445513 /nfs/dbraw/zinc/44/55/13/494445513.db2.gz ACPQZBWEHKAFJB-WMZOPIPTSA-N 2 1 364.534 3.015 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000079433299 494452699 /nfs/dbraw/zinc/45/26/99/494452699.db2.gz BLLYSGGQPHUMGQ-SFHVURJKSA-N 2 1 373.541 3.022 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000073967683 494457883 /nfs/dbraw/zinc/45/78/83/494457883.db2.gz NHXJMEQINSRSJT-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000045866584 494471757 /nfs/dbraw/zinc/47/17/57/494471757.db2.gz IZZYNTNZEIBENK-MRXNPFEDSA-N 2 1 372.557 3.042 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000090524372 494478664 /nfs/dbraw/zinc/47/86/64/494478664.db2.gz UHZDOFFFKFPQQT-DLVCFXQMSA-N 2 1 363.521 3.310 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000090655993 494490894 /nfs/dbraw/zinc/49/08/94/494490894.db2.gz FJTBLVKLLZJZNM-CVDCTZTESA-N 2 1 352.522 3.275 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC34CCOCC4)CC2)cs1 ZINC000580289264 505724617 /nfs/dbraw/zinc/72/46/17/505724617.db2.gz MRDYAGYUZGITII-GOSISDBHSA-N 2 1 363.571 3.466 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000079709781 494512573 /nfs/dbraw/zinc/51/25/73/494512573.db2.gz CSLPNDYHOUZUIK-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000079709781 494512576 /nfs/dbraw/zinc/51/25/76/494512576.db2.gz CSLPNDYHOUZUIK-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709781 494512580 /nfs/dbraw/zinc/51/25/80/494512580.db2.gz CSLPNDYHOUZUIK-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709781 494512582 /nfs/dbraw/zinc/51/25/82/494512582.db2.gz CSLPNDYHOUZUIK-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074323161 494519688 /nfs/dbraw/zinc/51/96/88/494519688.db2.gz FRANBFANEKAZFT-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000074323161 494519691 /nfs/dbraw/zinc/51/96/91/494519691.db2.gz FRANBFANEKAZFT-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000074323161 494519695 /nfs/dbraw/zinc/51/96/95/494519695.db2.gz FRANBFANEKAZFT-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000067414667 494536371 /nfs/dbraw/zinc/53/63/71/494536371.db2.gz DDYSUYAVNOHYQN-QGZVFWFLSA-N 2 1 371.529 3.121 20 0 FGADMP CC(C)(CNC(=O)Nc1ccn2ccnc2c1)[N@H+]1CCc2ccccc2C1 ZINC000577446329 505729135 /nfs/dbraw/zinc/72/91/35/505729135.db2.gz VJAZQIRVTHMQAX-UHFFFAOYSA-N 2 1 363.465 3.293 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCC)CC2)CC1 ZINC000074710139 494578639 /nfs/dbraw/zinc/57/86/39/494578639.db2.gz CDSJGURSKXVMFZ-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000125936298 494580734 /nfs/dbraw/zinc/58/07/34/494580734.db2.gz WYZGPQQMSUBJNN-MRXNPFEDSA-N 2 1 365.905 3.180 20 0 FGADMP Brc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000067651507 494597627 /nfs/dbraw/zinc/59/76/27/494597627.db2.gz CXWGWHGVAZHYHP-UHFFFAOYSA-N 2 1 359.333 3.055 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000121131429 494610721 /nfs/dbraw/zinc/61/07/21/494610721.db2.gz ZIYSOCZJWZMRAJ-SFHVURJKSA-N 2 1 363.550 3.124 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000121131429 494610728 /nfs/dbraw/zinc/61/07/28/494610728.db2.gz ZIYSOCZJWZMRAJ-SFHVURJKSA-N 2 1 363.550 3.124 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856588 494625692 /nfs/dbraw/zinc/62/56/92/494625692.db2.gz OAGFPFSDZWMQFI-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000075007941 494671995 /nfs/dbraw/zinc/67/19/95/494671995.db2.gz ZUWQXCQXOIIWJP-MRXNPFEDSA-N 2 1 373.501 3.015 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cc4ccccc4o3)CC2)CC1 ZINC000580342886 505736487 /nfs/dbraw/zinc/73/64/87/505736487.db2.gz DCEQEQPVJPYBGV-UHFFFAOYSA-N 2 1 369.509 3.245 20 0 FGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131735387 494715218 /nfs/dbraw/zinc/71/52/18/494715218.db2.gz CFBRLVZWEBBNAE-FQEVSTJZSA-N 2 1 353.466 3.121 20 0 FGADMP CC(C)CNC(=O)c1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131735387 494715221 /nfs/dbraw/zinc/71/52/21/494715221.db2.gz CFBRLVZWEBBNAE-FQEVSTJZSA-N 2 1 353.466 3.121 20 0 FGADMP CC1=C(c2ccco2)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000580348529 505737670 /nfs/dbraw/zinc/73/76/70/505737670.db2.gz OBUVIMGDEZIDDQ-HXUWFJFHSA-N 2 1 367.493 3.178 20 0 FGADMP CC1=C(c2ccco2)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000580348529 505737673 /nfs/dbraw/zinc/73/76/73/505737673.db2.gz OBUVIMGDEZIDDQ-HXUWFJFHSA-N 2 1 367.493 3.178 20 0 FGADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000092742010 494736154 /nfs/dbraw/zinc/73/61/54/494736154.db2.gz SDJNEYHWBXSKAA-XHSDSOJGSA-N 2 1 369.575 3.180 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000126648181 494810469 /nfs/dbraw/zinc/81/04/69/494810469.db2.gz ZGUITAGEXJMFDH-QFIPXVFZSA-N 2 1 353.485 3.350 20 0 FGADMP CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484364 505743796 /nfs/dbraw/zinc/74/37/96/505743796.db2.gz QXAYZSLSKVOOIK-WIYYLYMNSA-N 2 1 374.573 3.181 20 0 FGADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484364 505743798 /nfs/dbraw/zinc/74/37/98/505743798.db2.gz QXAYZSLSKVOOIK-WIYYLYMNSA-N 2 1 374.573 3.181 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOc4ccccc43)cc2)CC1 ZINC000126714611 494824727 /nfs/dbraw/zinc/82/47/27/494824727.db2.gz YHMZQNNIWCGWOV-QFIPXVFZSA-N 2 1 365.521 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000093278402 494857456 /nfs/dbraw/zinc/85/74/56/494857456.db2.gz TXPHAVRABCBKTC-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000093278402 494857459 /nfs/dbraw/zinc/85/74/59/494857459.db2.gz TXPHAVRABCBKTC-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000093278402 494857462 /nfs/dbraw/zinc/85/74/62/494857462.db2.gz TXPHAVRABCBKTC-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000093278402 494857464 /nfs/dbraw/zinc/85/74/64/494857464.db2.gz TXPHAVRABCBKTC-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000568660864 505747082 /nfs/dbraw/zinc/74/70/82/505747082.db2.gz AGNFGTJHPRIFIP-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000571506615 505749912 /nfs/dbraw/zinc/74/99/12/505749912.db2.gz QEGLKMMEJJPTMK-FQEVSTJZSA-N 2 1 360.546 3.189 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000127315558 494926594 /nfs/dbraw/zinc/92/65/94/494926594.db2.gz CZCOWGBFKWSIOT-UHFFFAOYSA-N 2 1 360.889 3.083 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000127315558 494926596 /nfs/dbraw/zinc/92/65/96/494926596.db2.gz CZCOWGBFKWSIOT-UHFFFAOYSA-N 2 1 360.889 3.083 20 0 FGADMP Cc1ccc(C(=O)NC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)s1 ZINC000127347670 494931251 /nfs/dbraw/zinc/93/12/51/494931251.db2.gz STOVQRUNTRKRFA-UHFFFAOYSA-N 2 1 360.527 3.236 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000127389137 494937728 /nfs/dbraw/zinc/93/77/28/494937728.db2.gz PNCOSLBFNDRXTE-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CC(C)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000127389137 494937730 /nfs/dbraw/zinc/93/77/30/494937730.db2.gz PNCOSLBFNDRXTE-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000127389137 494937735 /nfs/dbraw/zinc/93/77/35/494937735.db2.gz PNCOSLBFNDRXTE-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CC(C)[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000127389137 494937737 /nfs/dbraw/zinc/93/77/37/494937737.db2.gz PNCOSLBFNDRXTE-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000571527015 505754289 /nfs/dbraw/zinc/75/42/89/505754289.db2.gz DQKRNLKDTNXHIL-KRWDZBQOSA-N 2 1 370.497 3.113 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568387 505754395 /nfs/dbraw/zinc/75/43/95/505754395.db2.gz RDNRXVXFDDIIPH-JCGIZDLHSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568387 505754398 /nfs/dbraw/zinc/75/43/98/505754398.db2.gz RDNRXVXFDDIIPH-JCGIZDLHSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568387 505754401 /nfs/dbraw/zinc/75/44/01/505754401.db2.gz RDNRXVXFDDIIPH-JCGIZDLHSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568387 505754405 /nfs/dbraw/zinc/75/44/05/505754405.db2.gz RDNRXVXFDDIIPH-JCGIZDLHSA-N 2 1 366.937 3.113 20 0 FGADMP C[N@H+](CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000133275103 494993698 /nfs/dbraw/zinc/99/36/98/494993698.db2.gz IPOFBURNCHOACX-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP C[N@@H+](CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C1CCCC1 ZINC000133275103 494993701 /nfs/dbraw/zinc/99/37/01/494993701.db2.gz IPOFBURNCHOACX-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000097175768 495026925 /nfs/dbraw/zinc/02/69/25/495026925.db2.gz IEZBXKQFNDLSPU-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000097175768 495026928 /nfs/dbraw/zinc/02/69/28/495026928.db2.gz IEZBXKQFNDLSPU-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000097175768 495026929 /nfs/dbraw/zinc/02/69/29/495026929.db2.gz IEZBXKQFNDLSPU-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP Cc1ccc2nc(CSCC(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)cn2c1 ZINC000128005627 495029856 /nfs/dbraw/zinc/02/98/56/495029856.db2.gz YANLXKLXGLLGSV-KRWDZBQOSA-N 2 1 374.554 3.113 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090115 495038013 /nfs/dbraw/zinc/03/80/13/495038013.db2.gz GSTLMSLOZUJYOX-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000118868665 495051291 /nfs/dbraw/zinc/05/12/91/495051291.db2.gz WDZDQZFSAQRCKB-UHFFFAOYSA-N 2 1 373.419 3.187 20 0 FGADMP COc1ccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2c1 ZINC000128200506 495060101 /nfs/dbraw/zinc/06/01/01/495060101.db2.gz JUMSDFKQGQDZTE-JXFKEZNVSA-N 2 1 369.509 3.086 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000098144814 495061773 /nfs/dbraw/zinc/06/17/73/495061773.db2.gz UWAFUFBYDWVIGR-SJLPKXTDSA-N 2 1 367.331 3.119 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000119002697 495068520 /nfs/dbraw/zinc/06/85/20/495068520.db2.gz GYVFSSBGBALMIN-WOJBJXKFSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)sc1C ZINC000123518411 495145523 /nfs/dbraw/zinc/14/55/23/495145523.db2.gz BFADKCSMXBJHNN-CQSZACIVSA-N 2 1 352.548 3.141 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000119656093 495210519 /nfs/dbraw/zinc/21/05/19/495210519.db2.gz KXGLQYVMIOAOGD-MRXNPFEDSA-N 2 1 357.498 3.202 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129226202 495213398 /nfs/dbraw/zinc/21/33/98/495213398.db2.gz QQZGQVWTADPYSW-JXXFODFXSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129226202 495213402 /nfs/dbraw/zinc/21/34/02/495213402.db2.gz QQZGQVWTADPYSW-JXXFODFXSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC(C)(C)C1 ZINC000112701620 495226115 /nfs/dbraw/zinc/22/61/15/495226115.db2.gz XJKBKNKTLIAXJW-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000574418334 505769119 /nfs/dbraw/zinc/76/91/19/505769119.db2.gz UJEJKMZYOXAWIM-QHCPKHFHSA-N 2 1 374.488 3.463 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129443398 495245502 /nfs/dbraw/zinc/24/55/02/495245502.db2.gz NGAUTFLNDVOVQC-SFHVURJKSA-N 2 1 364.578 3.347 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)C1 ZINC000129459256 495247985 /nfs/dbraw/zinc/24/79/85/495247985.db2.gz MEBFNELFJLEVQT-WIYYLYMNSA-N 2 1 372.557 3.012 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000124366554 495276662 /nfs/dbraw/zinc/27/66/62/495276662.db2.gz XQILGRLPBKHTGL-ZDUSSCGKSA-N 2 1 374.392 3.435 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000124404430 495281579 /nfs/dbraw/zinc/28/15/79/495281579.db2.gz AAORSAMZTCCMEV-OAHLLOKOSA-N 2 1 355.473 3.212 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405287 495281883 /nfs/dbraw/zinc/28/18/83/495281883.db2.gz KDGKYYPVBLXXAL-LJQANCHMSA-N 2 1 373.516 3.125 20 0 FGADMP CC(C)(O)C[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000124475818 495293506 /nfs/dbraw/zinc/29/35/06/495293506.db2.gz PBRJIPFIILCLRO-UHFFFAOYSA-N 2 1 353.388 3.147 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)c1cnn(C)c1 ZINC000124573712 495309465 /nfs/dbraw/zinc/30/94/65/495309465.db2.gz IQRUSPATZPSMCA-LLGFUMIMSA-N 2 1 356.514 3.270 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000120204180 495327415 /nfs/dbraw/zinc/32/74/15/495327415.db2.gz SKSKGACQAQDVLX-VKJFTORMSA-N 2 1 360.889 3.124 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083440 495334709 /nfs/dbraw/zinc/33/47/09/495334709.db2.gz CJYMSAMDDZAUPQ-FPOVZHCZSA-N 2 1 374.573 3.489 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000105083416 495335482 /nfs/dbraw/zinc/33/54/82/495335482.db2.gz FWMMIAQXOBOFDK-QUCCMNQESA-N 2 1 360.546 3.101 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CCc2ccccc2)CC1 ZINC000114455410 495377019 /nfs/dbraw/zinc/37/70/19/495377019.db2.gz HVYAMUWBXHWJAZ-OAQYLSRUSA-N 2 1 357.542 3.073 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000125051883 495382948 /nfs/dbraw/zinc/38/29/48/495382948.db2.gz LIASVFBGHNEMCV-KRWDZBQOSA-N 2 1 359.514 3.016 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4cccc(F)c4)CC3)CC2)CC1 ZINC000574464036 505778819 /nfs/dbraw/zinc/77/88/19/505778819.db2.gz YJXJFBBLOOWYTM-UHFFFAOYSA-N 2 1 373.516 3.127 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000130548532 495408974 /nfs/dbraw/zinc/40/89/74/495408974.db2.gz XAKOLSHWILWXEJ-LSDHHAIUSA-N 2 1 362.905 3.433 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000130548532 495408977 /nfs/dbraw/zinc/40/89/77/495408977.db2.gz XAKOLSHWILWXEJ-LSDHHAIUSA-N 2 1 362.905 3.433 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000106164512 495422247 /nfs/dbraw/zinc/42/22/47/495422247.db2.gz SSIZMXPKRGAQCY-UHFFFAOYSA-N 2 1 360.889 3.357 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000125328071 495427155 /nfs/dbraw/zinc/42/71/55/495427155.db2.gz KBGVYCRPIOJRKW-QNWVGRARSA-N 3 1 372.601 3.216 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)c1 ZINC000125328071 495427160 /nfs/dbraw/zinc/42/71/60/495427160.db2.gz KBGVYCRPIOJRKW-QNWVGRARSA-N 2 1 372.601 3.216 20 0 FGADMP COc1ccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000125419666 495441460 /nfs/dbraw/zinc/44/14/60/495441460.db2.gz BEVYJPVCZGMUAR-QFIPXVFZSA-N 2 1 372.484 3.164 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000138411427 495461511 /nfs/dbraw/zinc/46/15/11/495461511.db2.gz ZHJDCQIUYJCQJK-ZWKOTPCHSA-N 2 1 361.530 3.043 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000125793127 495499905 /nfs/dbraw/zinc/49/99/05/495499905.db2.gz AYBKIMPGIIZUME-GOSISDBHSA-N 2 1 373.438 3.059 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000141518610 495507285 /nfs/dbraw/zinc/50/72/85/495507285.db2.gz WFLCIFAOCIYTCY-UHFFFAOYSA-N 2 1 372.557 3.156 20 0 FGADMP Cn1ccnc1C[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000131233879 495509939 /nfs/dbraw/zinc/50/99/39/495509939.db2.gz VEBDIQVZMZUGSY-CYBMUJFWSA-N 2 1 373.407 3.203 20 0 FGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125922110 495519679 /nfs/dbraw/zinc/51/96/79/495519679.db2.gz ATXOWAFSTWXXDE-SUMWQHHRSA-N 2 1 358.523 3.246 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000107370028 495526052 /nfs/dbraw/zinc/52/60/52/495526052.db2.gz XCNYLYDJIKYVOU-GOSISDBHSA-N 2 1 374.916 3.207 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362688 495533548 /nfs/dbraw/zinc/53/35/48/495533548.db2.gz NPDFUKVYEODCFC-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185352605 495544422 /nfs/dbraw/zinc/54/44/22/495544422.db2.gz RPPYETKRRLBZMQ-GOSISDBHSA-N 2 1 374.550 3.399 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000170647865 495545323 /nfs/dbraw/zinc/54/53/23/495545323.db2.gz CQUPHEBIXJQMNW-QGZVFWFLSA-N 2 1 356.470 3.219 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182403918 495550488 /nfs/dbraw/zinc/55/04/88/495550488.db2.gz AWSMYMWUEPEDNS-ROUUACIJSA-N 2 1 366.933 3.338 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182403918 495550495 /nfs/dbraw/zinc/55/04/95/495550495.db2.gz AWSMYMWUEPEDNS-ROUUACIJSA-N 2 1 366.933 3.338 20 0 FGADMP CCC[C@@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351619 495588517 /nfs/dbraw/zinc/58/85/17/495588517.db2.gz YHNJOSVIDFRACM-YFVAEKQCSA-N 2 1 372.557 3.466 20 0 FGADMP CCC[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351619 495588522 /nfs/dbraw/zinc/58/85/22/495588522.db2.gz YHNJOSVIDFRACM-YFVAEKQCSA-N 2 1 372.557 3.466 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000170757218 495592216 /nfs/dbraw/zinc/59/22/16/495592216.db2.gz VSWYREDTNPBSLF-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000150285744 495608255 /nfs/dbraw/zinc/60/82/55/495608255.db2.gz HQRKUPXXNKQLAL-PXNSSMCTSA-N 2 1 371.550 3.379 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000150285744 495608263 /nfs/dbraw/zinc/60/82/63/495608263.db2.gz HQRKUPXXNKQLAL-PXNSSMCTSA-N 2 1 371.550 3.379 20 0 FGADMP CCOC[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176346417 495612667 /nfs/dbraw/zinc/61/26/67/495612667.db2.gz QSXCIBPJCGFDOZ-PMACEKPBSA-N 2 1 360.542 3.403 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665063 495669986 /nfs/dbraw/zinc/66/99/86/495669986.db2.gz GYOBFZIRXMDZLQ-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665063 495669990 /nfs/dbraw/zinc/66/99/90/495669990.db2.gz GYOBFZIRXMDZLQ-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674115 495673993 /nfs/dbraw/zinc/67/39/93/495673993.db2.gz NHUFSAYUFYLADB-RXVVDRJESA-N 2 1 357.542 3.196 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000150926461 495683698 /nfs/dbraw/zinc/68/36/98/495683698.db2.gz RJYNOEXRZNSRJJ-INIZCTEOSA-N 2 1 354.498 3.478 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCCc1cccs1 ZINC000185720367 495695931 /nfs/dbraw/zinc/69/59/31/495695931.db2.gz SUAPOLRZURUWOW-YESZJQIVSA-N 2 1 363.571 3.038 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCCc1cccs1 ZINC000185720367 495695938 /nfs/dbraw/zinc/69/59/38/495695938.db2.gz SUAPOLRZURUWOW-YESZJQIVSA-N 2 1 363.571 3.038 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000571721025 505798120 /nfs/dbraw/zinc/79/81/20/505798120.db2.gz BXNFWLLZHPHUCE-KITAHSCOSA-N 2 1 371.569 3.493 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000571721025 505798123 /nfs/dbraw/zinc/79/81/23/505798123.db2.gz BXNFWLLZHPHUCE-KITAHSCOSA-N 2 1 371.569 3.493 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176572431 495704103 /nfs/dbraw/zinc/70/41/03/495704103.db2.gz LRRPIEXLHOLGKQ-UXHICEINSA-N 2 1 362.562 3.052 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000159315424 495708209 /nfs/dbraw/zinc/70/82/09/495708209.db2.gz WQLCBLGXBYEMFS-CYBMUJFWSA-N 2 1 373.419 3.376 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185789557 495726566 /nfs/dbraw/zinc/72/65/66/495726566.db2.gz JUJSAMATHLLCPU-GUDVDZBRSA-N 2 1 364.578 3.203 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863627 495732144 /nfs/dbraw/zinc/73/21/44/495732144.db2.gz XTNWXBHSXRPQNA-AEFFLSMTSA-N 2 1 364.917 3.460 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863627 495732151 /nfs/dbraw/zinc/73/21/51/495732151.db2.gz XTNWXBHSXRPQNA-AEFFLSMTSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863627 495732156 /nfs/dbraw/zinc/73/21/56/495732156.db2.gz XTNWXBHSXRPQNA-AEFFLSMTSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863627 495732161 /nfs/dbraw/zinc/73/21/61/495732161.db2.gz XTNWXBHSXRPQNA-AEFFLSMTSA-N 2 1 364.917 3.460 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000171137735 495738339 /nfs/dbraw/zinc/73/83/39/495738339.db2.gz LZXZCQUVZSRCOG-UHFFFAOYSA-N 2 1 353.510 3.389 20 0 FGADMP CC(C)c1nccn1CCC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000173902635 495738993 /nfs/dbraw/zinc/73/89/93/495738993.db2.gz ILCWXPPKGUGUPB-HNNXBMFYSA-N 2 1 360.527 3.021 20 0 FGADMP CC(C)c1nccn1CCC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000173902635 495739001 /nfs/dbraw/zinc/73/90/01/495739001.db2.gz ILCWXPPKGUGUPB-HNNXBMFYSA-N 2 1 360.527 3.021 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)C[C@@H](C)O1 ZINC000171306922 495813355 /nfs/dbraw/zinc/81/33/55/495813355.db2.gz MTOFZCVCMNJNFI-HZPDHXFCSA-N 2 1 359.470 3.256 20 0 FGADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387178 495851035 /nfs/dbraw/zinc/85/10/35/495851035.db2.gz GSDOQUPGGSUAAG-KRWDZBQOSA-N 2 1 366.509 3.370 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000183140546 495851872 /nfs/dbraw/zinc/85/18/72/495851872.db2.gz MYLQWVNYFOFTIN-KBPBESRZSA-N 2 1 353.426 3.155 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174220118 495869273 /nfs/dbraw/zinc/86/92/73/495869273.db2.gz RJIQDHMBSZSHRO-INIZCTEOSA-N 2 1 351.922 3.010 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180169883 495889095 /nfs/dbraw/zinc/88/90/95/495889095.db2.gz WEJQAJUMTKILDG-MIGBEJBISA-N 2 1 362.518 3.348 20 0 FGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000174282905 495894012 /nfs/dbraw/zinc/89/40/12/495894012.db2.gz ATTIUOLTMUJWLF-UYAOXDASSA-N 2 1 373.541 3.406 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000171529861 495916673 /nfs/dbraw/zinc/91/66/73/495916673.db2.gz LUIJQBUJQINCNB-KRWDZBQOSA-N 2 1 353.963 3.144 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(O)cc(F)c3)CC2)C[C@H](C)O1 ZINC000186259597 495917615 /nfs/dbraw/zinc/91/76/15/495917615.db2.gz BPIWCKJMEOWPSC-IYBDPMFKSA-N 2 1 350.478 3.243 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000183495939 496008110 /nfs/dbraw/zinc/00/81/10/496008110.db2.gz ZFRZBGXBWPISGO-DENIHFKCSA-N 3 1 359.558 3.024 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000183495939 496008114 /nfs/dbraw/zinc/00/81/14/496008114.db2.gz ZFRZBGXBWPISGO-DENIHFKCSA-N 2 1 359.558 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498982 496010864 /nfs/dbraw/zinc/01/08/64/496010864.db2.gz QGPDSEIUNZTAOV-DXIQSLLYSA-N 3 1 359.558 3.022 20 0 FGADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498982 496010867 /nfs/dbraw/zinc/01/08/67/496010867.db2.gz QGPDSEIUNZTAOV-DXIQSLLYSA-N 2 1 359.558 3.022 20 0 FGADMP CN(CC[N@H+](C)Cc1ccccc1Oc1cccnc1)C1CC[NH+](C)CC1 ZINC000177374307 496036303 /nfs/dbraw/zinc/03/63/03/496036303.db2.gz KHGYQPDPSZPOKW-UHFFFAOYSA-N 2 1 368.525 3.332 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1Oc1cccnc1)C1CC[NH+](C)CC1 ZINC000177374307 496036307 /nfs/dbraw/zinc/03/63/07/496036307.db2.gz KHGYQPDPSZPOKW-UHFFFAOYSA-N 2 1 368.525 3.332 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000171898183 496081967 /nfs/dbraw/zinc/08/19/67/496081967.db2.gz XMYSGRHUPRKHGW-GOSISDBHSA-N 2 1 366.937 3.115 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@H](C)O1 ZINC000177506831 496089950 /nfs/dbraw/zinc/08/99/50/496089950.db2.gz SSFXBTXYJXAOKU-IYBDPMFKSA-N 2 1 351.922 3.446 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@H](C)O1 ZINC000177506831 496089957 /nfs/dbraw/zinc/08/99/57/496089957.db2.gz SSFXBTXYJXAOKU-IYBDPMFKSA-N 2 1 351.922 3.446 20 0 FGADMP CC[C@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000574645617 505823045 /nfs/dbraw/zinc/82/30/45/505823045.db2.gz ANIDINQSTCLJHO-OAQYLSRUSA-N 2 1 359.558 3.477 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1Br)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152370485 496129866 /nfs/dbraw/zinc/12/98/66/496129866.db2.gz ICJYFNLWLTZDMG-UONOGXRCSA-N 2 1 368.319 3.050 20 0 FGADMP C[NH+](Cc1cccc(C[N@@H+](C)CC2CCOCC2)c1)CC1CCOCC1 ZINC000156082158 496152133 /nfs/dbraw/zinc/15/21/33/496152133.db2.gz XCPIOJISVZJFKT-UHFFFAOYSA-N 2 1 360.542 3.403 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152459073 496158868 /nfs/dbraw/zinc/15/88/68/496158868.db2.gz ICJUMWWAKYGFRW-SJORKVTESA-N 2 1 354.498 3.075 20 0 FGADMP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000161545130 496196271 /nfs/dbraw/zinc/19/62/71/496196271.db2.gz WELUMRVFRMHUTF-UHFFFAOYSA-N 2 1 369.509 3.449 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000172199748 496206500 /nfs/dbraw/zinc/20/65/00/496206500.db2.gz VKNRJGUOKFWSGT-NRFANRHFSA-N 2 1 372.557 3.071 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)c3cnn(C)c3)CC2)cs1 ZINC000161766928 496234862 /nfs/dbraw/zinc/23/48/62/496234862.db2.gz OYSDPJVLJHDLBY-GOSISDBHSA-N 2 1 361.559 3.392 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152735367 496240181 /nfs/dbraw/zinc/24/01/81/496240181.db2.gz VWYNYDAMCGLUAU-MHJFOBGBSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156444511 496246481 /nfs/dbraw/zinc/24/64/81/496246481.db2.gz NVXVBAHMTOABGP-QUCCMNQESA-N 2 1 357.542 3.475 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156474367 496256055 /nfs/dbraw/zinc/25/60/55/496256055.db2.gz VXNKCEYNMOPAOS-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181118364 496276843 /nfs/dbraw/zinc/27/68/43/496276843.db2.gz XEZLAGDJYORXGJ-ZCGYKAAXSA-N 2 1 361.511 3.187 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768826 505834194 /nfs/dbraw/zinc/83/41/94/505834194.db2.gz ABZZQTWWBKRDOT-HLIPFELVSA-N 2 1 360.523 3.161 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768826 505834198 /nfs/dbraw/zinc/83/41/98/505834198.db2.gz ABZZQTWWBKRDOT-HLIPFELVSA-N 2 1 360.523 3.161 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000156640887 496300055 /nfs/dbraw/zinc/30/00/55/496300055.db2.gz RUWDVHWIYFWMRZ-MJGOQNOKSA-N 2 1 354.498 3.033 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000156640887 496300061 /nfs/dbraw/zinc/30/00/61/496300061.db2.gz RUWDVHWIYFWMRZ-MJGOQNOKSA-N 2 1 354.498 3.033 20 0 FGADMP CN1c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000187125491 496304632 /nfs/dbraw/zinc/30/46/32/496304632.db2.gz QSLAUKASBRLBSY-WIYYLYMNSA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2CCC1=O ZINC000187125491 496304634 /nfs/dbraw/zinc/30/46/34/496304634.db2.gz QSLAUKASBRLBSY-WIYYLYMNSA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2CCC1=O ZINC000187125491 496304636 /nfs/dbraw/zinc/30/46/36/496304636.db2.gz QSLAUKASBRLBSY-WIYYLYMNSA-N 2 1 353.510 3.044 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccnc2-n2cncn2)cc1 ZINC000178052776 496306179 /nfs/dbraw/zinc/30/61/79/496306179.db2.gz BZYLDCQNAXQDNB-HNNXBMFYSA-N 2 1 359.437 3.007 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCCO4)CC2)nc(C)[nH+]1 ZINC000162274279 496326693 /nfs/dbraw/zinc/32/66/93/496326693.db2.gz RIKUPVBDGBSUMB-HNNXBMFYSA-N 2 1 368.481 3.184 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000184332227 496339535 /nfs/dbraw/zinc/33/95/35/496339535.db2.gz XXMGRLAQKGGINR-CJNGLKHVSA-N 2 1 355.320 3.463 20 0 FGADMP C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181348946 496362851 /nfs/dbraw/zinc/36/28/51/496362851.db2.gz XVGIDGCSTIRONA-BBTUJRGHSA-N 2 1 351.494 3.116 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156964768 496375417 /nfs/dbraw/zinc/37/54/17/496375417.db2.gz GXJUDMDAHQNMOX-LPHOPBHVSA-N 2 1 355.482 3.136 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156964768 496375419 /nfs/dbraw/zinc/37/54/19/496375419.db2.gz GXJUDMDAHQNMOX-LPHOPBHVSA-N 2 1 355.482 3.136 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000574727151 505841612 /nfs/dbraw/zinc/84/16/12/505841612.db2.gz ZKJPRPFUNAOSSP-GSQFEDNKSA-N 2 1 361.574 3.124 20 0 FGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1 ZINC000181561043 496446150 /nfs/dbraw/zinc/44/61/50/496446150.db2.gz KKXVHZZLHDHFON-QGZVFWFLSA-N 2 1 373.310 3.476 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc1 ZINC000580832291 505848071 /nfs/dbraw/zinc/84/80/71/505848071.db2.gz VTPTYFHEXPGHQM-QGZVFWFLSA-N 2 1 373.541 3.250 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754847 505848158 /nfs/dbraw/zinc/84/81/58/505848158.db2.gz QUPQXPRQDKVADM-FGZHOGPDSA-N 2 1 350.506 3.377 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754847 505848160 /nfs/dbraw/zinc/84/81/60/505848160.db2.gz QUPQXPRQDKVADM-FGZHOGPDSA-N 2 1 350.506 3.377 20 0 FGADMP CCc1cccc(C)c1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000157632431 496519679 /nfs/dbraw/zinc/51/96/79/496519679.db2.gz NDDLCJSNQLDUDD-LJQANCHMSA-N 2 1 360.546 3.437 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056058 496535996 /nfs/dbraw/zinc/53/59/96/496535996.db2.gz RARLHVRUCOGHCB-FUHWJXTLSA-N 2 1 363.521 3.130 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000187702766 496539767 /nfs/dbraw/zinc/53/97/67/496539767.db2.gz TWTMKMLHFXAWKW-INIZCTEOSA-N 2 1 352.544 3.205 20 0 FGADMP Cc1ccc2nc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cn2c1 ZINC000175797942 496549763 /nfs/dbraw/zinc/54/97/63/496549763.db2.gz YVSOBJFXTMACFZ-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP Cc1ccc2nc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cn2c1 ZINC000175797942 496549767 /nfs/dbraw/zinc/54/97/67/496549767.db2.gz YVSOBJFXTMACFZ-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184929167 496589835 /nfs/dbraw/zinc/58/98/35/496589835.db2.gz XMBCVKQGUFNYNK-UZLBHIALSA-N 2 1 357.473 3.238 20 0 FGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184929167 496589844 /nfs/dbraw/zinc/58/98/44/496589844.db2.gz XMBCVKQGUFNYNK-UZLBHIALSA-N 2 1 357.473 3.238 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000164656082 496625923 /nfs/dbraw/zinc/62/59/23/496625923.db2.gz VHULAYBJPAVBJA-AWEZNQCLSA-N 2 1 356.449 3.351 20 0 FGADMP C[C@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182030977 496642218 /nfs/dbraw/zinc/64/22/18/496642218.db2.gz XVGIDGCSTIRONA-WFXMLNOXSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158210472 496651057 /nfs/dbraw/zinc/65/10/57/496651057.db2.gz BYNKIZRFNWZJBM-JKSUJKDBSA-N 2 1 351.922 3.008 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363391 496659619 /nfs/dbraw/zinc/65/96/19/496659619.db2.gz PEFWJYHAMGTHRM-DOMZBBRYSA-N 2 1 371.319 3.286 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363391 496659612 /nfs/dbraw/zinc/65/96/12/496659612.db2.gz PEFWJYHAMGTHRM-DOMZBBRYSA-N 2 1 371.319 3.286 20 0 FGADMP FC(F)(F)c1ccc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162440 496678222 /nfs/dbraw/zinc/67/82/22/496678222.db2.gz WNSHKCDMMBVIEV-DLBZAZTESA-N 2 1 368.447 3.286 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166500635 496688048 /nfs/dbraw/zinc/68/80/48/496688048.db2.gz FWETTZOYQDIWRA-IRLDBZIGSA-N 2 1 359.558 3.018 20 0 FGADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000166500294 496688425 /nfs/dbraw/zinc/68/84/25/496688425.db2.gz WBOFTFYHDXUCHE-LAUBAEHRSA-N 2 1 351.494 3.030 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](C3CCC(C(C)C)CC3)CC1)CC2 ZINC000574814229 505861168 /nfs/dbraw/zinc/86/11/68/505861168.db2.gz AJWLGUMDSDQEAY-IOJLRTSASA-N 2 1 372.557 3.113 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000168999937 496714259 /nfs/dbraw/zinc/71/42/59/496714259.db2.gz VNDUNEIJUMIXQZ-DZFGPLHGSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000169096346 496714722 /nfs/dbraw/zinc/71/47/22/496714722.db2.gz WMXSVZGUSGDPNN-ZTFGCOKTSA-N 2 1 355.448 3.352 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000169096346 496714724 /nfs/dbraw/zinc/71/47/24/496714724.db2.gz WMXSVZGUSGDPNN-ZTFGCOKTSA-N 2 1 355.448 3.352 20 0 FGADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182345125 496730672 /nfs/dbraw/zinc/73/06/72/496730672.db2.gz ZWPMNHHKSFJTDA-HOTGVXAUSA-N 2 1 364.578 3.248 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246989610 496744418 /nfs/dbraw/zinc/74/44/18/496744418.db2.gz JIMHTPSFMVLGGK-IIAWOOMASA-N 2 1 367.921 3.304 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056746 496765041 /nfs/dbraw/zinc/76/50/41/496765041.db2.gz ZNJXHCQOZZJWIG-YJBOKZPZSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056746 496765047 /nfs/dbraw/zinc/76/50/47/496765047.db2.gz ZNJXHCQOZZJWIG-YJBOKZPZSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056746 496765051 /nfs/dbraw/zinc/76/50/51/496765051.db2.gz ZNJXHCQOZZJWIG-YJBOKZPZSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[NH+](C)C2)C1 ZINC000247084504 496775467 /nfs/dbraw/zinc/77/54/67/496775467.db2.gz INQNZZAAIKMCOM-RTBURBONSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000247084504 496775471 /nfs/dbraw/zinc/77/54/71/496775471.db2.gz INQNZZAAIKMCOM-RTBURBONSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000247084504 496775476 /nfs/dbraw/zinc/77/54/76/496775476.db2.gz INQNZZAAIKMCOM-RTBURBONSA-N 2 1 372.557 3.060 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000191486859 496779776 /nfs/dbraw/zinc/77/97/76/496779776.db2.gz UDCDHUZEBJAXKW-UHFFFAOYSA-N 2 1 354.498 3.137 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCCc2ccccc21 ZINC000191486859 496779782 /nfs/dbraw/zinc/77/97/82/496779782.db2.gz UDCDHUZEBJAXKW-UHFFFAOYSA-N 2 1 354.498 3.137 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000247112312 496782609 /nfs/dbraw/zinc/78/26/09/496782609.db2.gz TXKCOYHQEOPCTM-ZIFCJYIRSA-N 2 1 374.548 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000247112312 496782612 /nfs/dbraw/zinc/78/26/12/496782612.db2.gz TXKCOYHQEOPCTM-ZIFCJYIRSA-N 2 1 374.548 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000247112300 496782905 /nfs/dbraw/zinc/78/29/05/496782905.db2.gz TXKCOYHQEOPCTM-AOIWGVFYSA-N 2 1 374.548 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000247112300 496782908 /nfs/dbraw/zinc/78/29/08/496782908.db2.gz TXKCOYHQEOPCTM-AOIWGVFYSA-N 2 1 374.548 3.243 20 0 FGADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268786929 496785047 /nfs/dbraw/zinc/78/50/47/496785047.db2.gz VYHRUINUVQQZEV-AWEZNQCLSA-N 2 1 374.497 3.454 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513231 496792231 /nfs/dbraw/zinc/79/22/31/496792231.db2.gz OYSVGTXWGPGOPM-JOCHJYFZSA-N 2 1 358.574 3.306 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000191512312 496793066 /nfs/dbraw/zinc/79/30/66/496793066.db2.gz IBXUJTKFUAJYIN-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000191512312 496793069 /nfs/dbraw/zinc/79/30/69/496793069.db2.gz IBXUJTKFUAJYIN-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000268832140 496798163 /nfs/dbraw/zinc/79/81/63/496798163.db2.gz SPURBTMDTBFPGU-GFCCVEGCSA-N 2 1 370.375 3.097 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280410 496822784 /nfs/dbraw/zinc/82/27/84/496822784.db2.gz FWXRBGBGOLUCLN-TYPHKJRUSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280410 496822788 /nfs/dbraw/zinc/82/27/88/496822788.db2.gz FWXRBGBGOLUCLN-TYPHKJRUSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280410 496822792 /nfs/dbraw/zinc/82/27/92/496822792.db2.gz FWXRBGBGOLUCLN-TYPHKJRUSA-N 2 1 357.542 3.087 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247300467 496829799 /nfs/dbraw/zinc/82/97/99/496829799.db2.gz UQUQDSAXMIUREO-RHSMWYFYSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247300467 496829803 /nfs/dbraw/zinc/82/98/03/496829803.db2.gz UQUQDSAXMIUREO-RHSMWYFYSA-N 2 1 369.431 3.450 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000247342646 496840942 /nfs/dbraw/zinc/84/09/42/496840942.db2.gz GSLPHLRAJWICOU-RKVPGOIHSA-N 2 1 360.889 3.124 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000247355178 496842888 /nfs/dbraw/zinc/84/28/88/496842888.db2.gz PRQVPWASUYXNPC-TZIWHRDSSA-N 2 1 372.557 3.115 20 0 FGADMP CC(C)[C@H]1C[NH+](CC2(C[N@@H+]3CCS[C@@H](C(C)C)C3)COC2)CCS1 ZINC000247400706 496850324 /nfs/dbraw/zinc/85/03/24/496850324.db2.gz LMMWAAYALRYCEO-QZTJIDSGSA-N 2 1 372.644 3.150 20 0 FGADMP CC(C)[C@H]1C[NH+](CC2(C[N@H+]3CCS[C@@H](C(C)C)C3)COC2)CCS1 ZINC000247400706 496850329 /nfs/dbraw/zinc/85/03/29/496850329.db2.gz LMMWAAYALRYCEO-QZTJIDSGSA-N 2 1 372.644 3.150 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247399308 496850450 /nfs/dbraw/zinc/85/04/50/496850450.db2.gz WYBSBHFMISDPEV-TXPKVOOTSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247399308 496850455 /nfs/dbraw/zinc/85/04/55/496850455.db2.gz WYBSBHFMISDPEV-TXPKVOOTSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247399308 496850463 /nfs/dbraw/zinc/85/04/63/496850463.db2.gz WYBSBHFMISDPEV-TXPKVOOTSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273730455 496887143 /nfs/dbraw/zinc/88/71/43/496887143.db2.gz QRNVCOIWZHEACY-QGZVFWFLSA-N 2 1 358.530 3.264 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000247642948 496898137 /nfs/dbraw/zinc/89/81/37/496898137.db2.gz TXYRFDHEZQQASB-DENIHFKCSA-N 2 1 369.553 3.340 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000273817556 496918995 /nfs/dbraw/zinc/91/89/95/496918995.db2.gz CCPULDYUMIJKRY-WDEREUQCSA-N 2 1 355.255 3.475 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926129 496929284 /nfs/dbraw/zinc/92/92/84/496929284.db2.gz BPTWMKNDWANJLQ-STQMWFEESA-N 2 1 361.349 3.398 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000269511853 496962010 /nfs/dbraw/zinc/96/20/10/496962010.db2.gz OVLGTQQWVSRYGJ-JRGCBEDISA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248199145 496972181 /nfs/dbraw/zinc/97/21/81/496972181.db2.gz YBFZWQPYUDGUIM-FXAWDEMLSA-N 2 1 369.509 3.088 20 0 FGADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405305 496998196 /nfs/dbraw/zinc/99/81/96/496998196.db2.gz REDGMXHISWQIRE-BHDDXSALSA-N 2 1 369.553 3.279 20 0 FGADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248403207 496998526 /nfs/dbraw/zinc/99/85/26/496998526.db2.gz XMBCVKQGUFNYNK-OXQOHEQNSA-N 2 1 357.473 3.238 20 0 FGADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248403207 496998531 /nfs/dbraw/zinc/99/85/31/496998531.db2.gz XMBCVKQGUFNYNK-OXQOHEQNSA-N 2 1 357.473 3.238 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248456962 497017507 /nfs/dbraw/zinc/01/75/07/497017507.db2.gz SQRCCZXJMJQQMV-KSFYIVLOSA-N 2 1 367.493 3.062 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000248562908 497040588 /nfs/dbraw/zinc/04/05/88/497040588.db2.gz JZLOWUMBJZQOAY-MZKRTTBSSA-N 2 1 374.569 3.191 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248655566 497074066 /nfs/dbraw/zinc/07/40/66/497074066.db2.gz BUPWEJVPNNKKHW-RBUKOAKNSA-N 2 1 361.917 3.076 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248655566 497074068 /nfs/dbraw/zinc/07/40/68/497074068.db2.gz BUPWEJVPNNKKHW-RBUKOAKNSA-N 2 1 361.917 3.076 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000248664930 497076155 /nfs/dbraw/zinc/07/61/55/497076155.db2.gz KUXDWOJAVBJZHD-GHTZIAJQSA-N 2 1 360.542 3.281 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCC5)[C@H]3C2)cc1 ZINC000248722696 497087893 /nfs/dbraw/zinc/08/78/93/497087893.db2.gz MJQPIFTUYSZUNZ-PCPGVINSSA-N 2 1 352.522 3.444 20 0 FGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000278407415 497104023 /nfs/dbraw/zinc/10/40/23/497104023.db2.gz OTGTVWPAMDTKCD-UHFFFAOYSA-N 2 1 365.319 3.314 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000248789075 497104482 /nfs/dbraw/zinc/10/44/82/497104482.db2.gz IOGTYAVMYRGKPC-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000248789075 497104487 /nfs/dbraw/zinc/10/44/87/497104487.db2.gz IOGTYAVMYRGKPC-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000248789075 497104493 /nfs/dbraw/zinc/10/44/93/497104493.db2.gz IOGTYAVMYRGKPC-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CCOC(=O)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828305 497112676 /nfs/dbraw/zinc/11/26/76/497112676.db2.gz GTSPNQWSAKCTJB-YSTOQKLRSA-N 2 1 357.498 3.002 20 0 FGADMP c1c[nH]c([C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)c2cccnc2)n1 ZINC000248834817 497114401 /nfs/dbraw/zinc/11/44/01/497114401.db2.gz GIIDOJFQHJKXIV-TZIWHRDSSA-N 2 1 361.493 3.048 20 0 FGADMP COc1cccc2c1CC[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)C2 ZINC000192444273 497116394 /nfs/dbraw/zinc/11/63/94/497116394.db2.gz JPNFMFIITNCGKW-IBGZPJMESA-N 2 1 366.509 3.218 20 0 FGADMP COc1cccc2c1CC[C@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000192445385 497116502 /nfs/dbraw/zinc/11/65/02/497116502.db2.gz YJAXGCVXGANQNM-IBGZPJMESA-N 2 1 358.526 3.177 20 0 FGADMP CCOc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1F ZINC000278451833 497118521 /nfs/dbraw/zinc/11/85/21/497118521.db2.gz NHBVNSRHXDIMPI-UHFFFAOYSA-N 2 1 363.521 3.215 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000278451910 497119092 /nfs/dbraw/zinc/11/90/92/497119092.db2.gz WIPSSTVPQVPHDE-UHFFFAOYSA-N 2 1 358.457 3.346 20 0 FGADMP C[C@H]1C[C@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278472178 497126756 /nfs/dbraw/zinc/12/67/56/497126756.db2.gz JURMOCJZIAWDDK-TUNNFDKTSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@H]1C[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278472178 497126761 /nfs/dbraw/zinc/12/67/61/497126761.db2.gz JURMOCJZIAWDDK-TUNNFDKTSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@H]1C[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278472178 497126766 /nfs/dbraw/zinc/12/67/66/497126766.db2.gz JURMOCJZIAWDDK-TUNNFDKTSA-N 2 1 359.558 3.130 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000249051805 497154450 /nfs/dbraw/zinc/15/44/50/497154450.db2.gz XRKOHLGXBLCGHV-ZTNFWEORSA-N 2 1 357.523 3.121 20 0 FGADMP C[NH+](C)C/C=C/C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000265669320 497157799 /nfs/dbraw/zinc/15/77/99/497157799.db2.gz GXGSYULZGMQFNM-ONEGZZNKSA-N 2 1 370.324 3.192 20 0 FGADMP c1c(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762644 497212688 /nfs/dbraw/zinc/21/26/88/497212688.db2.gz OSTDVJUKCHHONA-OWZKRDHZSA-N 2 1 368.550 3.317 20 0 FGADMP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237292127 497215550 /nfs/dbraw/zinc/21/55/50/497215550.db2.gz LWCJBEPKTDCGGA-SFTDATJTSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237476358 497242237 /nfs/dbraw/zinc/24/22/37/497242237.db2.gz HDRZPJYYHPZIRS-QGZVFWFLSA-N 2 1 351.494 3.307 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C(=O)NCC(F)(F)F ZINC000249773190 497246795 /nfs/dbraw/zinc/24/67/95/497246795.db2.gz USPFKVJOZNSJTK-LSDHHAIUSA-N 2 1 371.447 3.218 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000237520058 497250068 /nfs/dbraw/zinc/25/00/68/497250068.db2.gz WGPREPPDZQWSJG-OKSLILNBSA-N 2 1 371.525 3.155 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000237520058 497250073 /nfs/dbraw/zinc/25/00/73/497250073.db2.gz WGPREPPDZQWSJG-OKSLILNBSA-N 2 1 371.525 3.155 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000192934876 497251216 /nfs/dbraw/zinc/25/12/16/497251216.db2.gz CSOPDWUEZFGURL-OAQYLSRUSA-N 2 1 364.537 3.158 20 0 FGADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000237571455 497257102 /nfs/dbraw/zinc/25/71/02/497257102.db2.gz NRMFHXPCHFLNFL-GOSISDBHSA-N 2 1 370.324 3.074 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872832 497275632 /nfs/dbraw/zinc/27/56/32/497275632.db2.gz PYVQPXFXAMSZML-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP [NH3+]C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000237810163 497295162 /nfs/dbraw/zinc/29/51/62/497295162.db2.gz JUQSEQMOBGOKMM-KBRMVUAJSA-N 2 1 363.505 3.041 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340217 /nfs/dbraw/zinc/34/02/17/497340217.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340226 /nfs/dbraw/zinc/34/02/26/497340226.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055687 497340232 /nfs/dbraw/zinc/34/02/32/497340232.db2.gz QMVNWTBWVSEIIW-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP O=C(CC1CC[NH2+]CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000238132937 497342559 /nfs/dbraw/zinc/34/25/59/497342559.db2.gz CGIKKURYBIUBLO-UHFFFAOYSA-N 2 1 369.553 3.423 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245412213 497393310 /nfs/dbraw/zinc/39/33/10/497393310.db2.gz AEOHLHHDRAMEQS-OALUTQOASA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245415851 497394332 /nfs/dbraw/zinc/39/43/32/497394332.db2.gz DQEBFRZCNWOBMI-BBRMVZONSA-N 2 1 368.319 3.050 20 0 FGADMP CCOc1ccc(-c2noc(CN(C)[C@@H]3CC[N@@H+](CC)C[C@@H]3C)n2)cc1 ZINC000245429089 497401050 /nfs/dbraw/zinc/40/10/50/497401050.db2.gz MWHDHYPQZZQSOT-MAUKXSAKSA-N 2 1 358.486 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245440519 497408428 /nfs/dbraw/zinc/40/84/28/497408428.db2.gz UOUMHKYFPZHDHS-DAYGRLMNSA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455085 497415499 /nfs/dbraw/zinc/41/54/99/497415499.db2.gz SKELIQBRAYTHSQ-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455085 497415500 /nfs/dbraw/zinc/41/55/00/497415500.db2.gz SKELIQBRAYTHSQ-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455085 497415501 /nfs/dbraw/zinc/41/55/01/497415501.db2.gz SKELIQBRAYTHSQ-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455085 497415503 /nfs/dbraw/zinc/41/55/03/497415503.db2.gz SKELIQBRAYTHSQ-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1)C(C)C ZINC000261608077 497418817 /nfs/dbraw/zinc/41/88/17/497418817.db2.gz BKAZKISTXZSOAT-FCHUYYIVSA-N 2 1 365.521 3.484 20 0 FGADMP CCCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261677044 497432290 /nfs/dbraw/zinc/43/22/90/497432290.db2.gz BCOSEIXRQKQMIZ-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261685992 497433411 /nfs/dbraw/zinc/43/34/11/497433411.db2.gz AOTPIROMEOJLJJ-QGZVFWFLSA-N 2 1 350.388 3.281 20 0 FGADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261685992 497433413 /nfs/dbraw/zinc/43/34/13/497433413.db2.gz AOTPIROMEOJLJJ-QGZVFWFLSA-N 2 1 350.388 3.281 20 0 FGADMP c1ccc(N2CCN(C[C@@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)CC2)nc1 ZINC000245553164 497452261 /nfs/dbraw/zinc/45/22/61/497452261.db2.gz DYVMCUJLQMOJLR-RTWAWAEBSA-N 2 1 354.542 3.272 20 0 FGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1I ZINC000271911544 497486361 /nfs/dbraw/zinc/48/63/61/497486361.db2.gz YAUZUQDBTKPNQP-GFCCVEGCSA-N 2 1 356.251 3.204 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1OC1CCCC1 ZINC000262025511 497495774 /nfs/dbraw/zinc/49/57/74/497495774.db2.gz WYYWMLVAEBIGQO-XUVXKRRUSA-N 2 1 374.525 3.263 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245680579 497499902 /nfs/dbraw/zinc/49/99/02/497499902.db2.gz GKRMFKFRDVLNAP-NHCUHLMSSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000193917774 497519529 /nfs/dbraw/zinc/51/95/29/497519529.db2.gz VPVOMVYZVIMQRR-IYBDPMFKSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262181328 497521742 /nfs/dbraw/zinc/52/17/42/497521742.db2.gz IRSUSEBMMQVUNX-LBTNJELSSA-N 2 1 367.896 3.120 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277935 497533076 /nfs/dbraw/zinc/53/30/76/497533076.db2.gz KDRXWUVVQJBRPN-GOEBONIOSA-N 2 1 354.420 3.027 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000245781274 497537523 /nfs/dbraw/zinc/53/75/23/497537523.db2.gz MEHSQWONJTVOGP-WOJBJXKFSA-N 2 1 364.574 3.364 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245877404 497557728 /nfs/dbraw/zinc/55/77/28/497557728.db2.gz IRZJVNOSULJCQF-HAGHYFMRSA-N 2 1 364.578 3.013 20 0 FGADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245906888 497566912 /nfs/dbraw/zinc/56/69/12/497566912.db2.gz IISXKCWFAUOIPJ-WOJBJXKFSA-N 2 1 360.542 3.403 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H]1C ZINC000279861892 497567316 /nfs/dbraw/zinc/56/73/16/497567316.db2.gz JAMLPYJMCGXVKW-LMNJBCLMSA-N 2 1 358.526 3.261 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000245932531 497577643 /nfs/dbraw/zinc/57/76/43/497577643.db2.gz VCAALHKDZAIPBE-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000245932531 497577646 /nfs/dbraw/zinc/57/76/46/497577646.db2.gz VCAALHKDZAIPBE-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272265297 497581173 /nfs/dbraw/zinc/58/11/73/497581173.db2.gz NBXLRXBIJGWRGO-AZUAARDMSA-N 2 1 372.557 3.069 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)C1 ZINC000246055489 497606271 /nfs/dbraw/zinc/60/62/71/497606271.db2.gz CTRVAXJBDUTKTQ-SJLPKXTDSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246055489 497606273 /nfs/dbraw/zinc/60/62/73/497606273.db2.gz CTRVAXJBDUTKTQ-SJLPKXTDSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246055489 497606275 /nfs/dbraw/zinc/60/62/75/497606275.db2.gz CTRVAXJBDUTKTQ-SJLPKXTDSA-N 2 1 369.513 3.273 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]21 ZINC000569363929 505917572 /nfs/dbraw/zinc/91/75/72/505917572.db2.gz RDTCNXDKYOLVCU-ORYQWCPZSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]21 ZINC000569363929 505917575 /nfs/dbraw/zinc/91/75/75/505917575.db2.gz RDTCNXDKYOLVCU-ORYQWCPZSA-N 2 1 365.477 3.477 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000246071230 497611037 /nfs/dbraw/zinc/61/10/37/497611037.db2.gz ZZYNDSFGLMSRKI-LEWJYISDSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000246071230 497611043 /nfs/dbraw/zinc/61/10/43/497611043.db2.gz ZZYNDSFGLMSRKI-LEWJYISDSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000246071230 497611046 /nfs/dbraw/zinc/61/10/46/497611046.db2.gz ZZYNDSFGLMSRKI-LEWJYISDSA-N 2 1 372.557 3.153 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000246132296 497632419 /nfs/dbraw/zinc/63/24/19/497632419.db2.gz AACQUNNDLFMAKU-KFWWJZLASA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC[N@H+]1C ZINC000246132296 497632424 /nfs/dbraw/zinc/63/24/24/497632424.db2.gz AACQUNNDLFMAKU-KFWWJZLASA-N 2 1 352.320 3.100 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)CC2 ZINC000246155178 497641505 /nfs/dbraw/zinc/64/15/05/497641505.db2.gz KMABAEGJRXWDQZ-AQNXPRMDSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000246155178 497641510 /nfs/dbraw/zinc/64/15/10/497641510.db2.gz KMABAEGJRXWDQZ-AQNXPRMDSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000246155178 497641515 /nfs/dbraw/zinc/64/15/15/497641515.db2.gz KMABAEGJRXWDQZ-AQNXPRMDSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246194277 497655637 /nfs/dbraw/zinc/65/56/37/497655637.db2.gz MQLOGDICYPUEHH-AZUAARDMSA-N 2 1 360.542 3.142 20 0 FGADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246194277 497655642 /nfs/dbraw/zinc/65/56/42/497655642.db2.gz MQLOGDICYPUEHH-AZUAARDMSA-N 2 1 360.542 3.142 20 0 FGADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000246210468 497662147 /nfs/dbraw/zinc/66/21/47/497662147.db2.gz KGJRGJSBMDDPDA-RBBKRZOGSA-N 2 1 371.569 3.132 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000268037488 497665178 /nfs/dbraw/zinc/66/51/78/497665178.db2.gz WWEYGNBJGSQPCN-YLJYHZDGSA-N 2 1 360.546 3.010 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000268098860 497677466 /nfs/dbraw/zinc/67/74/66/497677466.db2.gz DIEIVZAXOQLCDS-UHFFFAOYSA-N 2 1 356.470 3.279 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000272710507 497709021 /nfs/dbraw/zinc/70/90/21/497709021.db2.gz AVYUNXOSFWUDDC-HSZRJFAPSA-N 2 1 365.521 3.012 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000272730832 497714503 /nfs/dbraw/zinc/71/45/03/497714503.db2.gz INJUFDADSDQUPT-NQIIRXRSSA-N 2 1 352.478 3.039 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246429629 497731920 /nfs/dbraw/zinc/73/19/20/497731920.db2.gz SWASCMIOQHIRQO-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246429629 497731924 /nfs/dbraw/zinc/73/19/24/497731924.db2.gz SWASCMIOQHIRQO-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246429629 497731928 /nfs/dbraw/zinc/73/19/28/497731928.db2.gz SWASCMIOQHIRQO-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP Cc1ccc(NC(=O)CCCCCC[NH3+])cc1NC(=O)C[NH+]1CCCCC1 ZINC000263280776 497748043 /nfs/dbraw/zinc/74/80/43/497748043.db2.gz RXIYMDBCWLMCFN-UHFFFAOYSA-N 2 1 374.529 3.267 20 0 FGADMP C[C@@H]1CCCN(C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246482993 497750019 /nfs/dbraw/zinc/75/00/19/497750019.db2.gz HTESLEAPSNVOLW-SBHAEUEKSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000277134547 497752285 /nfs/dbraw/zinc/75/22/85/497752285.db2.gz OSZOIXNZLGSFRS-GHTZIAJQSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000277134547 497752287 /nfs/dbraw/zinc/75/22/87/497752287.db2.gz OSZOIXNZLGSFRS-GHTZIAJQSA-N 2 1 365.525 3.088 20 0 FGADMP CC[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000263300235 497753356 /nfs/dbraw/zinc/75/33/56/497753356.db2.gz DASZNZAOKZFXOC-RTWAWAEBSA-N 2 1 351.494 3.030 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000246503787 497755586 /nfs/dbraw/zinc/75/55/86/497755586.db2.gz HVYOQAROHXLSPY-YLJYHZDGSA-N 2 1 361.530 3.069 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000246515112 497759534 /nfs/dbraw/zinc/75/95/34/497759534.db2.gz INKQQJSJXVOLSY-YNIZLOQISA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263372520 497770051 /nfs/dbraw/zinc/77/00/51/497770051.db2.gz YXQOGGWEODRCTO-UIFIKXQLSA-N 2 1 351.494 3.246 20 0 FGADMP CC(C)[C@H](NC(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000246608440 497788552 /nfs/dbraw/zinc/78/85/52/497788552.db2.gz PLCCYSLKOPYQRM-BSIFCXSSSA-N 2 1 372.488 3.419 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH+](C)C)cc3)sc2C1 ZINC000273077591 497796194 /nfs/dbraw/zinc/79/61/94/497796194.db2.gz WWPAGBUFCUUSPU-UHFFFAOYSA-N 2 1 358.511 3.224 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH+](C)C)cc3)sc2C1 ZINC000273077591 497796196 /nfs/dbraw/zinc/79/61/96/497796196.db2.gz WWPAGBUFCUUSPU-UHFFFAOYSA-N 2 1 358.511 3.224 20 0 FGADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751850 497807933 /nfs/dbraw/zinc/80/79/33/497807933.db2.gz QGWKHRDSVPNGHR-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751850 497807934 /nfs/dbraw/zinc/80/79/34/497807934.db2.gz QGWKHRDSVPNGHR-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751850 497807936 /nfs/dbraw/zinc/80/79/36/497807936.db2.gz QGWKHRDSVPNGHR-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000572350342 505947725 /nfs/dbraw/zinc/94/77/25/505947725.db2.gz DKNMXYFJIZZMBO-PZJWPPBQSA-N 2 1 352.526 3.484 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000572350342 505947727 /nfs/dbraw/zinc/94/77/27/505947727.db2.gz DKNMXYFJIZZMBO-PZJWPPBQSA-N 2 1 352.526 3.484 20 0 FGADMP CN(Cc1c(Cl)cccc1N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296186375 497948829 /nfs/dbraw/zinc/94/88/29/497948829.db2.gz YDXYWNSNYFZZAS-SJPCQFCGSA-N 2 1 363.933 3.234 20 0 FGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506757 505956863 /nfs/dbraw/zinc/95/68/63/505956863.db2.gz XNRDGKCINGLHOT-QUCCMNQESA-N 2 1 357.542 3.326 20 0 FGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506757 505956864 /nfs/dbraw/zinc/95/68/64/505956864.db2.gz XNRDGKCINGLHOT-QUCCMNQESA-N 2 1 357.542 3.326 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000364537163 498010589 /nfs/dbraw/zinc/01/05/89/498010589.db2.gz ODRHPKWTHVWJLU-AZUAARDMSA-N 2 1 366.571 3.092 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364537163 498010594 /nfs/dbraw/zinc/01/05/94/498010594.db2.gz ODRHPKWTHVWJLU-AZUAARDMSA-N 2 1 366.571 3.092 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC[C@@H]([NH+](C)C)CC2)cc[nH+]1 ZINC000330143152 498036897 /nfs/dbraw/zinc/03/68/97/498036897.db2.gz QZQCLROQKZLDRG-LMMKCTJWSA-N 2 1 361.534 3.013 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301306792 498049988 /nfs/dbraw/zinc/04/99/88/498049988.db2.gz YTGQSCXINQNUTL-QGZVFWFLSA-N 2 1 358.917 3.495 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301306792 498049995 /nfs/dbraw/zinc/04/99/95/498049995.db2.gz YTGQSCXINQNUTL-QGZVFWFLSA-N 2 1 358.917 3.495 20 0 FGADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292612600 498080434 /nfs/dbraw/zinc/08/04/34/498080434.db2.gz XMJQKJQHRHDGJN-NRFANRHFSA-N 2 1 357.542 3.137 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364771599 498136057 /nfs/dbraw/zinc/13/60/57/498136057.db2.gz OWNLDNZMKNURDJ-FPOVZHCZSA-N 2 1 374.573 3.310 20 0 FGADMP COC[C@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CC[C@](C)(COC)C3)cc2)C1 ZINC000296650346 498138029 /nfs/dbraw/zinc/13/80/29/498138029.db2.gz IYGKOGINIGXWII-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](C)(COC)C3)cc2)C1 ZINC000296650346 498138035 /nfs/dbraw/zinc/13/80/35/498138035.db2.gz IYGKOGINIGXWII-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2ccc(C[N@H+]3CC[C@](C)(COC)C3)cc2)C1 ZINC000296650346 498138039 /nfs/dbraw/zinc/13/80/39/498138039.db2.gz IYGKOGINIGXWII-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820406 498158771 /nfs/dbraw/zinc/15/87/71/498158771.db2.gz PUFYMXOSCCZQOG-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820406 498158776 /nfs/dbraw/zinc/15/87/76/498158776.db2.gz PUFYMXOSCCZQOG-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820406 498158782 /nfs/dbraw/zinc/15/87/82/498158782.db2.gz PUFYMXOSCCZQOG-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820406 498158787 /nfs/dbraw/zinc/15/87/87/498158787.db2.gz PUFYMXOSCCZQOG-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccc(F)cc2C1 ZINC000364868356 498183111 /nfs/dbraw/zinc/18/31/11/498183111.db2.gz DIMHEMSDARBJIN-FQEVSTJZSA-N 2 1 358.461 3.194 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccsc1 ZINC000289557964 498192667 /nfs/dbraw/zinc/19/26/67/498192667.db2.gz ORZMFTSHDVWWOX-CRAIPNDOSA-N 2 1 360.527 3.015 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289588437 498206030 /nfs/dbraw/zinc/20/60/30/498206030.db2.gz TZTPMEQLKHPUKY-GFCCVEGCSA-N 2 1 362.275 3.028 20 0 FGADMP CCOC(=O)c1cnc2ccccc2c1N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000301699114 498229780 /nfs/dbraw/zinc/22/97/80/498229780.db2.gz DQXRLGYXJVNPMD-KXBFYZLASA-N 2 1 353.466 3.332 20 0 FGADMP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289686353 498248642 /nfs/dbraw/zinc/24/86/42/498248642.db2.gz ZXRYZPIIIXMHTM-KVJIRVJXSA-N 2 1 351.494 3.412 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661592 498294933 /nfs/dbraw/zinc/29/49/33/498294933.db2.gz LEGAHGDVHCFYAU-KNQAVFIVSA-N 2 1 357.542 3.438 20 0 FGADMP OC[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000289836892 498315366 /nfs/dbraw/zinc/31/53/66/498315366.db2.gz MYWNVIQSWPQFGR-PKTZIBPZSA-N 2 1 350.506 3.407 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000578725711 506006477 /nfs/dbraw/zinc/00/64/77/506006477.db2.gz QUQUNOBIHXVNQA-DPVAKWRKSA-N 2 1 355.526 3.063 20 0 FGADMP COC[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000361035437 498336211 /nfs/dbraw/zinc/33/62/11/498336211.db2.gz ZOFFYMOEBZRKIJ-UQOODKLHSA-N 2 1 368.468 3.131 20 0 FGADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cn(C)nc2C)cc1 ZINC000289907330 498347172 /nfs/dbraw/zinc/34/71/72/498347172.db2.gz UTNJSDKRPSHTOJ-UHFFFAOYSA-N 2 1 367.497 3.416 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007358 498355088 /nfs/dbraw/zinc/35/50/88/498355088.db2.gz VRYQNRRKISXXSS-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000289933533 498358123 /nfs/dbraw/zinc/35/81/23/498358123.db2.gz WJDXDALSWKNVEK-MRXNPFEDSA-N 2 1 364.559 3.086 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000289933533 498358126 /nfs/dbraw/zinc/35/81/26/498358126.db2.gz WJDXDALSWKNVEK-MRXNPFEDSA-N 2 1 364.559 3.086 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000569811161 506022023 /nfs/dbraw/zinc/02/20/23/506022023.db2.gz NUVDQCDXAHRXCR-DEVSCXNHSA-N 2 1 365.521 3.337 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000286503710 498419329 /nfs/dbraw/zinc/41/93/29/498419329.db2.gz MMICQAPQZKVXJJ-MQVJKMGUSA-N 2 1 359.905 3.334 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000286503710 498419324 /nfs/dbraw/zinc/41/93/24/498419324.db2.gz MMICQAPQZKVXJJ-MQVJKMGUSA-N 2 1 359.905 3.334 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC2CC[NH+](C3CC3)CC2)C1=O ZINC000297363955 498420655 /nfs/dbraw/zinc/42/06/55/498420655.db2.gz HAOTYFHRMVGJLG-FOIQADDNSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730576 498423494 /nfs/dbraw/zinc/42/34/94/498423494.db2.gz YMYJKHVFOZLKNP-AZUAARDMSA-N 2 1 357.542 3.041 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCC[NH+](Cc3cccc(F)c3)C1)CC2 ZINC000361908696 498440490 /nfs/dbraw/zinc/44/04/90/498440490.db2.gz QJWQKCYXJVISAV-LJQANCHMSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC2 ZINC000361908696 498440495 /nfs/dbraw/zinc/44/04/95/498440495.db2.gz QJWQKCYXJVISAV-LJQANCHMSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000361908696 498440500 /nfs/dbraw/zinc/44/05/00/498440500.db2.gz QJWQKCYXJVISAV-LJQANCHMSA-N 2 1 373.516 3.125 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000290397525 498537062 /nfs/dbraw/zinc/53/70/62/498537062.db2.gz SRQBBLJPFAEGAY-ROUUACIJSA-N 2 1 368.481 3.089 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cn1 ZINC000297872126 498595858 /nfs/dbraw/zinc/59/58/58/498595858.db2.gz UPHUCOBVBHBILG-ZWKOTPCHSA-N 2 1 354.498 3.160 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624477 498623218 /nfs/dbraw/zinc/62/32/18/498623218.db2.gz CLZFBGNFMSFKGZ-CTNGQTDRSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624477 498623221 /nfs/dbraw/zinc/62/32/21/498623221.db2.gz CLZFBGNFMSFKGZ-CTNGQTDRSA-N 2 1 368.525 3.027 20 0 FGADMP CCCN(CC(C)C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365836819 498663709 /nfs/dbraw/zinc/66/37/09/498663709.db2.gz JUAXGXATIDSBCK-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCc2ccccc2C1 ZINC000303492923 498681776 /nfs/dbraw/zinc/68/17/76/498681776.db2.gz SNIGISJTXSGTGZ-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303492923 498681781 /nfs/dbraw/zinc/68/17/81/498681781.db2.gz SNIGISJTXSGTGZ-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000303492923 498681784 /nfs/dbraw/zinc/68/17/84/498681784.db2.gz SNIGISJTXSGTGZ-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000303492923 498681790 /nfs/dbraw/zinc/68/17/90/498681790.db2.gz SNIGISJTXSGTGZ-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000303492923 498681791 /nfs/dbraw/zinc/68/17/91/498681791.db2.gz SNIGISJTXSGTGZ-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303505554 498683675 /nfs/dbraw/zinc/68/36/75/498683675.db2.gz AZOJUXMUPBCFNU-RTWAWAEBSA-N 2 1 372.557 3.387 20 0 FGADMP Ic1cccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000310984890 498748408 /nfs/dbraw/zinc/74/84/08/498748408.db2.gz KFFZYIPZNKLAHA-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000310984890 498748412 /nfs/dbraw/zinc/74/84/12/498748412.db2.gz KFFZYIPZNKLAHA-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000310984890 498748415 /nfs/dbraw/zinc/74/84/15/498748415.db2.gz KFFZYIPZNKLAHA-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(C(N)=O)c1 ZINC000282993313 498739064 /nfs/dbraw/zinc/73/90/64/498739064.db2.gz NCQXJRVUFZNFBQ-HXUWFJFHSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000282993313 498739069 /nfs/dbraw/zinc/73/90/69/498739069.db2.gz NCQXJRVUFZNFBQ-HXUWFJFHSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000282993313 498739073 /nfs/dbraw/zinc/73/90/73/498739073.db2.gz NCQXJRVUFZNFBQ-HXUWFJFHSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000282993313 498739077 /nfs/dbraw/zinc/73/90/77/498739077.db2.gz NCQXJRVUFZNFBQ-HXUWFJFHSA-N 2 1 351.494 3.176 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@H](O)c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000363347094 498773457 /nfs/dbraw/zinc/77/34/57/498773457.db2.gz COTKTKQKEBXFNG-IBGZPJMESA-N 2 1 374.916 3.381 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000363347094 498773465 /nfs/dbraw/zinc/77/34/65/498773465.db2.gz COTKTKQKEBXFNG-IBGZPJMESA-N 2 1 374.916 3.381 20 0 FGADMP c1ccc(-c2noc(CCC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)n2)cc1 ZINC000363414147 498807087 /nfs/dbraw/zinc/80/70/87/498807087.db2.gz KPAQVXAYKKMNFQ-QYZOEREBSA-N 2 1 352.482 3.085 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000287623343 498818295 /nfs/dbraw/zinc/81/82/95/498818295.db2.gz UHFNMKWZGVNAPS-IBGZPJMESA-N 2 1 352.482 3.385 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332259 498877353 /nfs/dbraw/zinc/87/73/53/498877353.db2.gz YVTIRGPGCVJGTA-QRQLOZEOSA-N 2 1 357.885 3.149 20 0 FGADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)cnc21 ZINC000328621646 498878752 /nfs/dbraw/zinc/87/87/52/498878752.db2.gz APCQCVXBVGAZGC-ICSRJNTNSA-N 2 1 364.497 3.190 20 0 FGADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)cnc21 ZINC000328621646 498878758 /nfs/dbraw/zinc/87/87/58/498878758.db2.gz APCQCVXBVGAZGC-ICSRJNTNSA-N 2 1 364.497 3.190 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COc1ccc(-c2ccccc2)cc1 ZINC000570201897 506114434 /nfs/dbraw/zinc/11/44/34/506114434.db2.gz MNZMQNDXUALKPX-QFIPXVFZSA-N 2 1 366.505 3.310 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299029933 498946241 /nfs/dbraw/zinc/94/62/41/498946241.db2.gz RLFISDUWPHAVNL-WMZOPIPTSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299029933 498946247 /nfs/dbraw/zinc/94/62/47/498946247.db2.gz RLFISDUWPHAVNL-WMZOPIPTSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000295233538 498950459 /nfs/dbraw/zinc/95/04/59/498950459.db2.gz DDIFBECQFPVCGF-AEFFLSMTSA-N 2 1 357.498 3.104 20 0 FGADMP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000573093848 506117508 /nfs/dbraw/zinc/11/75/08/506117508.db2.gz UNDUHXMDFVJXKM-BDTNDASRSA-N 2 1 369.553 3.074 20 0 FGADMP Cc1cnccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000295253818 498956472 /nfs/dbraw/zinc/95/64/72/498956472.db2.gz ULZQXGATRQZJBS-UHFFFAOYSA-N 2 1 369.509 3.169 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1F ZINC000333458146 499008471 /nfs/dbraw/zinc/00/84/71/499008471.db2.gz OZSLZPFRPHXZQG-FQEVSTJZSA-N 2 1 370.472 3.343 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1F ZINC000333458146 499008476 /nfs/dbraw/zinc/00/84/76/499008476.db2.gz OZSLZPFRPHXZQG-FQEVSTJZSA-N 2 1 370.472 3.343 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000576308730 506126525 /nfs/dbraw/zinc/12/65/25/506126525.db2.gz AUWWWNIXCSSTSC-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000363827741 499015037 /nfs/dbraw/zinc/01/50/37/499015037.db2.gz MFVJAKRBWMHECQ-QMKUDKLTSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000363827741 499015042 /nfs/dbraw/zinc/01/50/42/499015042.db2.gz MFVJAKRBWMHECQ-QMKUDKLTSA-N 2 1 359.514 3.185 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834616 499017636 /nfs/dbraw/zinc/01/76/36/499017636.db2.gz RUPCZKXBXXRPKC-LCLWPZTBSA-N 2 1 374.525 3.388 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834616 499017640 /nfs/dbraw/zinc/01/76/40/499017640.db2.gz RUPCZKXBXXRPKC-LCLWPZTBSA-N 2 1 374.525 3.388 20 0 FGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000366957104 499122086 /nfs/dbraw/zinc/12/20/86/499122086.db2.gz YTPSRPCBBRLXIJ-UHFFFAOYSA-N 2 1 372.509 3.318 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000576328711 506132089 /nfs/dbraw/zinc/13/20/89/506132089.db2.gz CTZNHRGHTSGRCR-QAPCUYQASA-N 2 1 358.511 3.411 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367058669 499141917 /nfs/dbraw/zinc/14/19/17/499141917.db2.gz WFLGZERWJBQRGG-ZWKOTPCHSA-N 2 1 358.530 3.046 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000367072743 499143907 /nfs/dbraw/zinc/14/39/07/499143907.db2.gz HIJCFSWGCXTOMU-NHCUHLMSSA-N 2 1 366.509 3.192 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000367072743 499143910 /nfs/dbraw/zinc/14/39/10/499143910.db2.gz HIJCFSWGCXTOMU-NHCUHLMSSA-N 2 1 366.509 3.192 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000367117861 499150865 /nfs/dbraw/zinc/15/08/65/499150865.db2.gz UXTQRDSIOMGWHE-KRWDZBQOSA-N 2 1 372.944 3.348 20 0 FGADMP Cc1ccc2cc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)ccc2n1 ZINC000372686918 499161213 /nfs/dbraw/zinc/16/12/13/499161213.db2.gz ZRCDSGRKTBMKLN-NRFANRHFSA-N 2 1 352.526 3.144 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000372783999 499174762 /nfs/dbraw/zinc/17/47/62/499174762.db2.gz BOWBDSOVTDXYMV-KRWDZBQOSA-N 2 1 364.921 3.260 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000372784000 499174923 /nfs/dbraw/zinc/17/49/23/499174923.db2.gz BOWBDSOVTDXYMV-QGZVFWFLSA-N 2 1 364.921 3.260 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367311394 499178581 /nfs/dbraw/zinc/17/85/81/499178581.db2.gz YAEKPGWZSSQANQ-KRWDZBQOSA-N 2 1 371.525 3.138 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367311394 499178583 /nfs/dbraw/zinc/17/85/83/499178583.db2.gz YAEKPGWZSSQANQ-KRWDZBQOSA-N 2 1 371.525 3.138 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310757 499178862 /nfs/dbraw/zinc/17/88/62/499178862.db2.gz UYPKAJDWMRDTAD-KUHUBIRLSA-N 2 1 350.453 3.195 20 0 FGADMP COc1ccc(O)cc1[C@H](C)[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367357614 499187835 /nfs/dbraw/zinc/18/78/35/499187835.db2.gz XPYAXYYCUJAUHN-HNNXBMFYSA-N 2 1 370.497 3.469 20 0 FGADMP COc1ccc(O)cc1[C@H](C)[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367357614 499187839 /nfs/dbraw/zinc/18/78/39/499187839.db2.gz XPYAXYYCUJAUHN-HNNXBMFYSA-N 2 1 370.497 3.469 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370644795 499239242 /nfs/dbraw/zinc/23/92/42/499239242.db2.gz GXQKICRABDFMPJ-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000370661957 499241281 /nfs/dbraw/zinc/24/12/81/499241281.db2.gz XMQGTKMAPHXYJX-IBGZPJMESA-N 3 1 373.585 3.412 20 0 FGADMP C[N@H+](CC(=O)Nc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885039 499241501 /nfs/dbraw/zinc/24/15/01/499241501.db2.gz JIULSYUFSOZPLO-UHFFFAOYSA-N 2 1 356.445 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695619 499245094 /nfs/dbraw/zinc/24/50/94/499245094.db2.gz BUIDNBHTHKQNMC-XXBNENTESA-N 2 1 364.537 3.206 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000370764424 499252428 /nfs/dbraw/zinc/25/24/28/499252428.db2.gz ZRKTWFIUMCPSJW-HSZRJFAPSA-N 2 1 363.505 3.274 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370776376 499253451 /nfs/dbraw/zinc/25/34/51/499253451.db2.gz ZZNXWGJCRLANFH-XIRDDKMYSA-N 2 1 371.447 3.188 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC2)cs1 ZINC000368022040 499255979 /nfs/dbraw/zinc/25/59/79/499255979.db2.gz UVNPFJGNKMROME-CQSZACIVSA-N 2 1 367.559 3.373 20 0 FGADMP C[C@H]1C[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000368029495 499257222 /nfs/dbraw/zinc/25/72/22/499257222.db2.gz JMBZTSHDVZVCBK-RDJZCZTQSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@H]1C[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368029495 499257224 /nfs/dbraw/zinc/25/72/24/499257224.db2.gz JMBZTSHDVZVCBK-RDJZCZTQSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000368050912 499259557 /nfs/dbraw/zinc/25/95/57/499259557.db2.gz IRQASCLTUXNGEG-FQEVSTJZSA-N 2 1 359.558 3.336 20 0 FGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)ccc1OC ZINC000368100537 499264254 /nfs/dbraw/zinc/26/42/54/499264254.db2.gz HTOVSMOKMIGGOL-QAPCUYQASA-N 2 1 356.514 3.468 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)CCC[N@@H+]2C)cc1 ZINC000368114917 499265888 /nfs/dbraw/zinc/26/58/88/499265888.db2.gz KMCLGCJVEJHZSP-XKGZKEIXSA-N 2 1 371.529 3.083 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)CCC[N@H+]2C)cc1 ZINC000368114917 499265890 /nfs/dbraw/zinc/26/58/90/499265890.db2.gz KMCLGCJVEJHZSP-XKGZKEIXSA-N 2 1 371.529 3.083 20 0 FGADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccn4ccnc4c3)C[C@H]2[C@H]1c1ccccc1 ZINC000368116581 499265985 /nfs/dbraw/zinc/26/59/85/499265985.db2.gz XCWPBCNAWJNFPU-YVWKXTFCSA-N 2 1 361.449 3.101 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000370908657 499269838 /nfs/dbraw/zinc/26/98/38/499269838.db2.gz GVOZCXFOMFVAOT-IBGZPJMESA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000368354103 499288231 /nfs/dbraw/zinc/28/82/31/499288231.db2.gz HDMAHMOTHJUPCW-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000368354103 499288232 /nfs/dbraw/zinc/28/82/32/499288232.db2.gz HDMAHMOTHJUPCW-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354103 499288233 /nfs/dbraw/zinc/28/82/33/499288233.db2.gz HDMAHMOTHJUPCW-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354103 499288234 /nfs/dbraw/zinc/28/82/34/499288234.db2.gz HDMAHMOTHJUPCW-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000371132173 499291602 /nfs/dbraw/zinc/29/16/02/499291602.db2.gz VDHPGXXCCXUREM-FQEVSTJZSA-N 2 1 366.509 3.346 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1C ZINC000368416330 499293723 /nfs/dbraw/zinc/29/37/23/499293723.db2.gz JKLVGPLZQXDQQZ-FRYIKTPZSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1C ZINC000368416330 499293725 /nfs/dbraw/zinc/29/37/25/499293725.db2.gz JKLVGPLZQXDQQZ-FRYIKTPZSA-N 2 1 373.541 3.109 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371249924 499302586 /nfs/dbraw/zinc/30/25/86/499302586.db2.gz PXRAFQRPQDYWAR-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCOCC4)cc2)C[C@H](C)O1 ZINC000368528987 499304729 /nfs/dbraw/zinc/30/47/29/499304729.db2.gz WTNSEMVMPQCLNM-UEXGIBASSA-N 2 1 358.526 3.345 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368530690 499305126 /nfs/dbraw/zinc/30/51/26/499305126.db2.gz OVYIQQFCHPIJHG-FQEVSTJZSA-N 2 1 369.538 3.409 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368530690 499305128 /nfs/dbraw/zinc/30/51/28/499305128.db2.gz OVYIQQFCHPIJHG-FQEVSTJZSA-N 2 1 369.538 3.409 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3cccc(-n4ccnn4)c3)CC2)[nH+]c1 ZINC000368578057 499309760 /nfs/dbraw/zinc/30/97/60/499309760.db2.gz ZAYVDOAWEGEMCY-QGZVFWFLSA-N 2 1 362.481 3.290 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@H](C)C1 ZINC000368610770 499313450 /nfs/dbraw/zinc/31/34/50/499313450.db2.gz DKHQPSYNCOCASB-NVXWUHKLSA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)[C@H](C)C1 ZINC000368610770 499313451 /nfs/dbraw/zinc/31/34/51/499313451.db2.gz DKHQPSYNCOCASB-NVXWUHKLSA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)[C@H](C)C1 ZINC000368610770 499313452 /nfs/dbraw/zinc/31/34/52/499313452.db2.gz DKHQPSYNCOCASB-NVXWUHKLSA-N 2 1 350.576 3.072 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000368844651 499338972 /nfs/dbraw/zinc/33/89/72/499338972.db2.gz HVEGAAKWUWLJSE-AAEUAGOBSA-N 2 1 367.280 3.430 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000371733123 499359927 /nfs/dbraw/zinc/35/99/27/499359927.db2.gz SKAOYRQIUULEBK-FQEVSTJZSA-N 2 1 368.525 3.077 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000371733123 499359929 /nfs/dbraw/zinc/35/99/29/499359929.db2.gz SKAOYRQIUULEBK-FQEVSTJZSA-N 2 1 368.525 3.077 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H](O)c3ccc(F)cc3C)CC2)nc(C)n1 ZINC000371884599 499375396 /nfs/dbraw/zinc/37/53/96/499375396.db2.gz SPBFKVMBBBEBLQ-HXUWFJFHSA-N 2 1 372.488 3.175 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@@H](O)c3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC000371884599 499375397 /nfs/dbraw/zinc/37/53/97/499375397.db2.gz SPBFKVMBBBEBLQ-HXUWFJFHSA-N 2 1 372.488 3.175 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H](O)c3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC000371884599 499375398 /nfs/dbraw/zinc/37/53/98/499375398.db2.gz SPBFKVMBBBEBLQ-HXUWFJFHSA-N 2 1 372.488 3.175 20 0 FGADMP CO[C@H](CN1CCC([N@H+]2CCOC[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000570341842 506145908 /nfs/dbraw/zinc/14/59/08/506145908.db2.gz SEEXHYCCXLAZOO-HNAYVOBHSA-N 2 1 352.906 3.213 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581252 499422115 /nfs/dbraw/zinc/42/21/15/499422115.db2.gz ZWACUUZPHRATMH-SJORKVTESA-N 2 1 360.546 3.122 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581252 499422116 /nfs/dbraw/zinc/42/21/16/499422116.db2.gz ZWACUUZPHRATMH-SJORKVTESA-N 2 1 360.546 3.122 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000372369298 499425488 /nfs/dbraw/zinc/42/54/88/499425488.db2.gz MFZBQRQQNDFNCP-KRWDZBQOSA-N 2 1 372.944 3.348 20 0 FGADMP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373306496 499462569 /nfs/dbraw/zinc/46/25/69/499462569.db2.gz WRILCUNUEPWYIL-PBHICJAKSA-N 2 1 362.568 3.456 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373306496 499462570 /nfs/dbraw/zinc/46/25/70/499462570.db2.gz WRILCUNUEPWYIL-PBHICJAKSA-N 2 1 362.568 3.456 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373386142 499466801 /nfs/dbraw/zinc/46/68/01/499466801.db2.gz RQOVPLQTIAKLFD-SESVDKBCSA-N 2 1 368.525 3.160 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373386142 499466802 /nfs/dbraw/zinc/46/68/02/499466802.db2.gz RQOVPLQTIAKLFD-SESVDKBCSA-N 2 1 368.525 3.160 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448435 499470449 /nfs/dbraw/zinc/47/04/49/499470449.db2.gz LEUAFKXRJNTWNL-SXLOBPIMSA-N 2 1 368.500 3.300 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000378202846 499490067 /nfs/dbraw/zinc/49/00/67/499490067.db2.gz OYCRDJZPLQDEER-IBGZPJMESA-N 2 1 357.542 3.055 20 0 FGADMP CC[C@H]1CN(C(=O)c2ccn3c(C)cnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000573218439 506147159 /nfs/dbraw/zinc/14/71/59/506147159.db2.gz GNTNIPBOEBKIAT-FQEVSTJZSA-N 2 1 362.477 3.379 20 0 FGADMP C(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274989 499502223 /nfs/dbraw/zinc/50/22/23/499502223.db2.gz BUKIUBQVARXNJC-SFTDATJTSA-N 2 1 350.547 3.162 20 0 FGADMP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000375398907 499514128 /nfs/dbraw/zinc/51/41/28/499514128.db2.gz BBYQDFGTEJIHGK-PZJWPPBQSA-N 2 1 359.514 3.307 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428029 499517603 /nfs/dbraw/zinc/51/76/03/499517603.db2.gz WMPUCDNTMCAZOE-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428029 499517605 /nfs/dbraw/zinc/51/76/05/499517605.db2.gz WMPUCDNTMCAZOE-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428029 499517607 /nfs/dbraw/zinc/51/76/07/499517607.db2.gz WMPUCDNTMCAZOE-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428029 499517608 /nfs/dbraw/zinc/51/76/08/499517608.db2.gz WMPUCDNTMCAZOE-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490303 499523463 /nfs/dbraw/zinc/52/34/63/499523463.db2.gz DKZLRKBMFZJVCE-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632558 499542050 /nfs/dbraw/zinc/54/20/50/499542050.db2.gz SQKUUAPJMAPZHL-BAGYTPMASA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632558 499542052 /nfs/dbraw/zinc/54/20/52/499542052.db2.gz SQKUUAPJMAPZHL-BAGYTPMASA-N 2 1 368.521 3.377 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000383805253 499546922 /nfs/dbraw/zinc/54/69/22/499546922.db2.gz ZSDOBLPGCQDBHJ-GIVPXCGWSA-N 2 1 363.505 3.468 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383806472 499546928 /nfs/dbraw/zinc/54/69/28/499546928.db2.gz ZXLRQKVQJGDQNL-NRSPTQNISA-N 2 1 369.553 3.278 20 0 FGADMP COc1cc(C)nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000389007183 499552035 /nfs/dbraw/zinc/55/20/35/499552035.db2.gz VZLBREKRXCXQEN-PMACEKPBSA-N 2 1 351.494 3.353 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000375879739 499564257 /nfs/dbraw/zinc/56/42/57/499564257.db2.gz JAYPTLMRSVNCJU-QGZVFWFLSA-N 2 1 369.513 3.106 20 0 FGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167415 499588329 /nfs/dbraw/zinc/58/83/29/499588329.db2.gz QBXSHWJIGZDXFV-AEFFLSMTSA-N 2 1 360.546 3.340 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167415 499588330 /nfs/dbraw/zinc/58/83/30/499588330.db2.gz QBXSHWJIGZDXFV-AEFFLSMTSA-N 2 1 360.546 3.340 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376178144 499589185 /nfs/dbraw/zinc/58/91/85/499589185.db2.gz ODTFAIHQBBZAOW-KRWDZBQOSA-N 2 1 360.546 3.197 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000573238945 506151206 /nfs/dbraw/zinc/15/12/06/506151206.db2.gz FKDCPXWUBQWAGX-AVRDEDQJSA-N 2 1 366.505 3.333 20 0 FGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2c1 ZINC000377246761 499673718 /nfs/dbraw/zinc/67/37/18/499673718.db2.gz WIYXZDRHLZFZMI-FDDCHVKYSA-N 2 1 367.537 3.306 20 0 FGADMP Cc1ncsc1CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377267232 499675326 /nfs/dbraw/zinc/67/53/26/499675326.db2.gz ODOFBLXSMNWPQF-UHFFFAOYSA-N 3 1 364.603 3.122 20 0 FGADMP Cc1ncsc1CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377267232 499675327 /nfs/dbraw/zinc/67/53/27/499675327.db2.gz ODOFBLXSMNWPQF-UHFFFAOYSA-N 3 1 364.603 3.122 20 0 FGADMP Cc1ncsc1CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377267232 499675329 /nfs/dbraw/zinc/67/53/29/499675329.db2.gz ODOFBLXSMNWPQF-UHFFFAOYSA-N 3 1 364.603 3.122 20 0 FGADMP c1cc(C[NH+]2CCC(CN3CCOCC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411175901 499706845 /nfs/dbraw/zinc/70/68/45/499706845.db2.gz VJMLFEZLQBSGPX-UHFFFAOYSA-N 2 1 371.569 3.217 20 0 FGADMP Cn1cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377626237 499712141 /nfs/dbraw/zinc/71/21/41/499712141.db2.gz MEQOEYUTEIDLOC-NRFANRHFSA-N 2 1 373.589 3.070 20 0 FGADMP Cn1cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377626237 499712143 /nfs/dbraw/zinc/71/21/43/499712143.db2.gz MEQOEYUTEIDLOC-NRFANRHFSA-N 2 1 373.589 3.070 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000573262538 506156501 /nfs/dbraw/zinc/15/65/01/506156501.db2.gz JHWIYCGSYLJOBL-RTBURBONSA-N 2 1 357.885 3.016 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000573262538 506156505 /nfs/dbraw/zinc/15/65/05/506156505.db2.gz JHWIYCGSYLJOBL-RTBURBONSA-N 2 1 357.885 3.016 20 0 FGADMP NC(=O)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411266971 499719422 /nfs/dbraw/zinc/71/94/22/499719422.db2.gz QXNUBQDTZNIVOT-UHFFFAOYSA-N 2 1 351.494 3.160 20 0 FGADMP NC(=O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411266971 499719424 /nfs/dbraw/zinc/71/94/24/499719424.db2.gz QXNUBQDTZNIVOT-UHFFFAOYSA-N 2 1 351.494 3.160 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377706861 499723159 /nfs/dbraw/zinc/72/31/59/499723159.db2.gz UHCZZXSGZHCGMM-QUCCMNQESA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377706861 499723160 /nfs/dbraw/zinc/72/31/60/499723160.db2.gz UHCZZXSGZHCGMM-QUCCMNQESA-N 2 1 373.541 3.011 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2sccc2C1 ZINC000377717316 499724622 /nfs/dbraw/zinc/72/46/22/499724622.db2.gz HGLHGZCDBXPKQF-KRWDZBQOSA-N 2 1 372.538 3.117 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2sccc2C1 ZINC000377717316 499724623 /nfs/dbraw/zinc/72/46/23/499724623.db2.gz HGLHGZCDBXPKQF-KRWDZBQOSA-N 2 1 372.538 3.117 20 0 FGADMP CC(CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331399 499726616 /nfs/dbraw/zinc/72/66/16/499726616.db2.gz MMYCYJYKABSOMU-GXRSIYKFSA-N 2 1 366.638 3.232 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(OC)c1OC ZINC000377758715 499729582 /nfs/dbraw/zinc/72/95/82/499729582.db2.gz DGTOCPQHDGGPMP-YLJYHZDGSA-N 2 1 370.493 3.495 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(OC)c1OC ZINC000377758715 499729583 /nfs/dbraw/zinc/72/95/83/499729583.db2.gz DGTOCPQHDGGPMP-YLJYHZDGSA-N 2 1 370.493 3.495 20 0 FGADMP c1cn(C[C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000411399969 499734774 /nfs/dbraw/zinc/73/47/74/499734774.db2.gz SMYUFQZUICBMTE-NRFANRHFSA-N 2 1 353.514 3.176 20 0 FGADMP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCN(Cc3ccncc3)CC2)c1 ZINC000411418963 499737613 /nfs/dbraw/zinc/73/76/13/499737613.db2.gz OKQBEPNRLCSMPX-UHFFFAOYSA-N 2 1 364.537 3.385 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000411447540 499741472 /nfs/dbraw/zinc/74/14/72/499741472.db2.gz PRDNYRRKAMITTQ-LBPRGKRZSA-N 2 1 358.313 3.245 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cc(Cl)ccc2Cl)CC1 ZINC000411447539 499741636 /nfs/dbraw/zinc/74/16/36/499741636.db2.gz PRDNYRRKAMITTQ-GFCCVEGCSA-N 2 1 358.313 3.245 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Br)c2)CC1 ZINC000414243462 499770870 /nfs/dbraw/zinc/77/08/70/499770870.db2.gz OUNPYGOFZPDLBD-UHFFFAOYSA-N 2 1 361.711 3.303 20 0 FGADMP C[C@H]1C[N@H+](C2CCOCC2)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655506 499773706 /nfs/dbraw/zinc/77/37/06/499773706.db2.gz KPSFNMKHGCJNJQ-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP CCN1C[C@@H](C)[NH+](CC[C@H](C)CC[N@H+]2[C@H](C)CN(CC)C[C@@H]2C)[C@H](C)C1 ZINC000411726762 499783700 /nfs/dbraw/zinc/78/37/00/499783700.db2.gz ZBYUDFPQVAXQHU-QMCAAQAGSA-N 2 1 366.638 3.232 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000414393528 499785970 /nfs/dbraw/zinc/78/59/70/499785970.db2.gz DNNYSPPMBOWNIW-SESVDKBCSA-N 2 1 372.488 3.003 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000414393528 499785971 /nfs/dbraw/zinc/78/59/71/499785971.db2.gz DNNYSPPMBOWNIW-SESVDKBCSA-N 2 1 372.488 3.003 20 0 FGADMP COC(=O)c1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cs1 ZINC000411749209 499786000 /nfs/dbraw/zinc/78/60/00/499786000.db2.gz VBYHNOABTOSMQN-OALUTQOASA-N 2 1 370.518 3.489 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000411986580 499810070 /nfs/dbraw/zinc/81/00/70/499810070.db2.gz PPIGSJUAHFCDLQ-ROUUACIJSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000411986580 499810072 /nfs/dbraw/zinc/81/00/72/499810072.db2.gz PPIGSJUAHFCDLQ-ROUUACIJSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000411986580 499810074 /nfs/dbraw/zinc/81/00/74/499810074.db2.gz PPIGSJUAHFCDLQ-ROUUACIJSA-N 2 1 366.571 3.343 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000414666628 499818682 /nfs/dbraw/zinc/81/86/82/499818682.db2.gz GLPFTXZZDODVHG-SXLOBPIMSA-N 2 1 352.526 3.398 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747865 499826153 /nfs/dbraw/zinc/82/61/53/499826153.db2.gz NIFYZVBFJKASFH-CPUCHLNUSA-N 2 1 353.304 3.211 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412177760 499831164 /nfs/dbraw/zinc/83/11/64/499831164.db2.gz MCPUJUMZTAOZBR-RTWAWAEBSA-N 2 1 355.526 3.371 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414840903 499836582 /nfs/dbraw/zinc/83/65/82/499836582.db2.gz YPNGREBNZBVGMF-AWEZNQCLSA-N 2 1 363.303 3.032 20 0 FGADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414848961 499837708 /nfs/dbraw/zinc/83/77/08/499837708.db2.gz GZACHDCMHYKXPP-HNNXBMFYSA-N 2 1 352.404 3.039 20 0 FGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000414850198 499837989 /nfs/dbraw/zinc/83/79/89/499837989.db2.gz ZANNIKRUIGUJFX-VIFPVBQESA-N 2 1 351.235 3.304 20 0 FGADMP C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414859167 499838641 /nfs/dbraw/zinc/83/86/41/499838641.db2.gz SVNILVUHJYIWHQ-UKRRQHHQSA-N 2 1 363.303 3.113 20 0 FGADMP Cn1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)c(-c2ccccc2Cl)n1 ZINC000414877133 499840352 /nfs/dbraw/zinc/84/03/52/499840352.db2.gz LLYQETXJLTYWMI-UHFFFAOYSA-N 2 1 369.900 3.405 20 0 FGADMP COc1c(Br)cc(Br)cc1C[NH2+][C@@H](C)CC[NH3+] ZINC000414877190 499840492 /nfs/dbraw/zinc/84/04/92/499840492.db2.gz FQZWRDHYESKWLY-QMMMGPOBSA-N 2 1 366.097 3.047 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000414917603 499844593 /nfs/dbraw/zinc/84/45/93/499844593.db2.gz RUXVYDRYTZIGCK-YJBOKZPZSA-N 2 1 355.486 3.304 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000414918780 499844632 /nfs/dbraw/zinc/84/46/32/499844632.db2.gz VFHDHSIRNRBXRY-FQEVSTJZSA-N 2 1 355.486 3.257 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414939852 499846785 /nfs/dbraw/zinc/84/67/85/499846785.db2.gz BEESGAWKRPNWGH-GXTWGEPZSA-N 2 1 371.319 3.477 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000414947628 499847695 /nfs/dbraw/zinc/84/76/95/499847695.db2.gz KYYLDQIKQPDUCX-GXSJLCMTSA-N 2 1 362.109 3.442 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000414947629 499847732 /nfs/dbraw/zinc/84/77/32/499847732.db2.gz KYYLDQIKQPDUCX-KOLCDFICSA-N 2 1 362.109 3.442 20 0 FGADMP Cc1nc(COc2ccc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)cc2)cs1 ZINC000414991715 499852445 /nfs/dbraw/zinc/85/24/45/499852445.db2.gz AUZFETSQERAFQT-HNNXBMFYSA-N 2 1 367.465 3.365 20 0 FGADMP Fc1cccc(Cl)c1C[NH+]1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415003165 499853694 /nfs/dbraw/zinc/85/36/94/499853694.db2.gz OKRKWAFLWXAGAA-INIZCTEOSA-N 2 1 361.839 3.030 20 0 FGADMP Cc1ccc(-c2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)s2)o1 ZINC000415050658 499858370 /nfs/dbraw/zinc/85/83/70/499858370.db2.gz IYRBJQQFECRMGK-UHFFFAOYSA-N 2 1 360.527 3.018 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415051447 499858399 /nfs/dbraw/zinc/85/83/99/499858399.db2.gz FNBHHCPUAWWHTH-IIBYNOLFSA-N 2 1 355.482 3.086 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415051447 499858400 /nfs/dbraw/zinc/85/84/00/499858400.db2.gz FNBHHCPUAWWHTH-IIBYNOLFSA-N 2 1 355.482 3.086 20 0 FGADMP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000415054466 499858906 /nfs/dbraw/zinc/85/89/06/499858906.db2.gz NNEUERSPUMPAOT-UHFFFAOYSA-N 2 1 366.347 3.064 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415071754 499860437 /nfs/dbraw/zinc/86/04/37/499860437.db2.gz UQHUIJKPGQRKRH-QGZVFWFLSA-N 2 1 364.559 3.073 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086467 499861972 /nfs/dbraw/zinc/86/19/72/499861972.db2.gz JREGZEWUOBOJAY-QUCCMNQESA-N 2 1 352.482 3.132 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101894 499863583 /nfs/dbraw/zinc/86/35/83/499863583.db2.gz BUHQDQOOQYTXNK-UKRRQHHQSA-N 2 1 360.420 3.443 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127854 499867433 /nfs/dbraw/zinc/86/74/33/499867433.db2.gz NJWGEQCQGMROBG-DYVFJYSZSA-N 2 1 367.419 3.196 20 0 FGADMP C[C@@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000415884677 499924350 /nfs/dbraw/zinc/92/43/50/499924350.db2.gz QNTARFOSRMVTHE-KRWDZBQOSA-N 2 1 366.509 3.364 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000415899132 499925750 /nfs/dbraw/zinc/92/57/50/499925750.db2.gz JATZQHMUTHAVDL-APWZRJJASA-N 2 1 352.482 3.191 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)c1 ZINC000415911833 499927732 /nfs/dbraw/zinc/92/77/32/499927732.db2.gz YXGWHJWMVLIBED-UHFFFAOYSA-N 2 1 367.497 3.290 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000415916281 499928073 /nfs/dbraw/zinc/92/80/73/499928073.db2.gz BMJUAHYFCLUBQO-UHFFFAOYSA-N 2 1 366.509 3.188 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415935986 499930562 /nfs/dbraw/zinc/93/05/62/499930562.db2.gz UTIPISIIULLJFF-JXFKEZNVSA-N 2 1 352.482 3.048 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415942215 499931222 /nfs/dbraw/zinc/93/12/22/499931222.db2.gz IRMNUNWPLVADFA-OXJNMPFZSA-N 2 1 352.482 3.191 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000415946125 499931729 /nfs/dbraw/zinc/93/17/29/499931729.db2.gz SQDNSUFONZYETC-IBGZPJMESA-N 2 1 370.497 3.229 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417050380 499957888 /nfs/dbraw/zinc/95/78/88/499957888.db2.gz WUCHRMJCNWODRV-AABGKKOBSA-N 2 1 364.578 3.062 20 0 FGADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041063 499992923 /nfs/dbraw/zinc/99/29/23/499992923.db2.gz OAPKXHFFMRQYBG-FYYLOGMGSA-N 2 1 366.505 3.121 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041063 499992926 /nfs/dbraw/zinc/99/29/26/499992926.db2.gz OAPKXHFFMRQYBG-FYYLOGMGSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041063 499992927 /nfs/dbraw/zinc/99/29/27/499992927.db2.gz OAPKXHFFMRQYBG-FYYLOGMGSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041063 499992930 /nfs/dbraw/zinc/99/29/30/499992930.db2.gz OAPKXHFFMRQYBG-FYYLOGMGSA-N 2 1 366.505 3.121 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000417398906 500061170 /nfs/dbraw/zinc/06/11/70/500061170.db2.gz IGTBJSNJVUOCDI-LEWJYISDSA-N 2 1 372.557 3.202 20 0 FGADMP COCC(C)(C)[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000425347878 500080682 /nfs/dbraw/zinc/08/06/82/500080682.db2.gz IQGZLFPRJSQJKP-UHFFFAOYSA-N 2 1 361.574 3.187 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522624 500092923 /nfs/dbraw/zinc/09/29/23/500092923.db2.gz PVCMHJACPZFDRM-JXFKEZNVSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000417581602 500116619 /nfs/dbraw/zinc/11/66/19/500116619.db2.gz TXHDXMGUFBAEPQ-CRAIPNDOSA-N 2 1 366.937 3.121 20 0 FGADMP C[N@H+]1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682240 500123440 /nfs/dbraw/zinc/12/34/40/500123440.db2.gz FZVCGJQOGKQEEO-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682240 500123442 /nfs/dbraw/zinc/12/34/42/500123442.db2.gz FZVCGJQOGKQEEO-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682240 500123447 /nfs/dbraw/zinc/12/34/47/500123447.db2.gz FZVCGJQOGKQEEO-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000416809631 500125943 /nfs/dbraw/zinc/12/59/43/500125943.db2.gz JIHBSAPCXOKIOH-ROUUACIJSA-N 2 1 358.486 3.005 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845412 500137155 /nfs/dbraw/zinc/13/71/55/500137155.db2.gz RRZCPDNDIFNFKP-NHCUHLMSSA-N 2 1 366.509 3.040 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccncc3Cl)cn2)CC1 ZINC000421822412 500159623 /nfs/dbraw/zinc/15/96/23/500159623.db2.gz WUYSVWIEZUSDGC-HNNXBMFYSA-N 2 1 359.905 3.123 20 0 FGADMP CCCN1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000421874842 500167681 /nfs/dbraw/zinc/16/76/81/500167681.db2.gz IPGRFTHKCTYBQH-MXEMCNAFSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000416966270 500168712 /nfs/dbraw/zinc/16/87/12/500168712.db2.gz FMJVPSODGIFNSN-NQIIRXRSSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970204 500170074 /nfs/dbraw/zinc/17/00/74/500170074.db2.gz NCJZZPPMLKBUHY-OALUTQOASA-N 2 1 372.557 3.107 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)C1 ZINC000416969991 500170249 /nfs/dbraw/zinc/17/02/49/500170249.db2.gz MJQVCTZKDFCXCC-SFHVURJKSA-N 2 1 370.541 3.028 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000416970556 500170541 /nfs/dbraw/zinc/17/05/41/500170541.db2.gz NYYUPILFTZNANH-OAQYLSRUSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971864 500170657 /nfs/dbraw/zinc/17/06/57/500170657.db2.gz QKTTVEYQPVLOFT-OPYAIIAOSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000416980387 500173967 /nfs/dbraw/zinc/17/39/67/500173967.db2.gz TXZNFWNIMSTDBJ-FXAWDEMLSA-N 2 1 358.530 3.002 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802388 500175165 /nfs/dbraw/zinc/17/51/65/500175165.db2.gz WYAJEGNTWNFPTH-UXHICEINSA-N 2 1 358.530 3.030 20 0 FGADMP CCCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417826346 500180093 /nfs/dbraw/zinc/18/00/93/500180093.db2.gz CECLRQHSPDETAW-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000417859179 500186006 /nfs/dbraw/zinc/18/60/06/500186006.db2.gz QYLDTVKMSVFCLH-OBZTVWKBSA-N 2 1 367.497 3.011 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000579464546 506181382 /nfs/dbraw/zinc/18/13/82/506181382.db2.gz YRAXHOXIVRVYLU-SFHVURJKSA-N 2 1 366.509 3.432 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000417896073 500193970 /nfs/dbraw/zinc/19/39/70/500193970.db2.gz PBVFGBQCCKHAHY-IZZBFERCSA-N 2 1 374.573 3.158 20 0 FGADMP CCCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000417930877 500199936 /nfs/dbraw/zinc/19/99/36/500199936.db2.gz VCRNMLFIOXYKAS-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH+]([C@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154795 500201133 /nfs/dbraw/zinc/20/11/33/500201133.db2.gz YCRPIHRRUVUOQY-NUJGCVRESA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+]([C@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154795 500201135 /nfs/dbraw/zinc/20/11/35/500201135.db2.gz YCRPIHRRUVUOQY-NUJGCVRESA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@H+]([C@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154795 500201138 /nfs/dbraw/zinc/20/11/38/500201138.db2.gz YCRPIHRRUVUOQY-NUJGCVRESA-N 2 1 362.587 3.072 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000430161787 500202342 /nfs/dbraw/zinc/20/23/42/500202342.db2.gz IKLDYWWXPDTTQL-JOCHJYFZSA-N 2 1 352.526 3.384 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000430161787 500202344 /nfs/dbraw/zinc/20/23/44/500202344.db2.gz IKLDYWWXPDTTQL-JOCHJYFZSA-N 2 1 352.526 3.384 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430161787 500202346 /nfs/dbraw/zinc/20/23/46/500202346.db2.gz IKLDYWWXPDTTQL-JOCHJYFZSA-N 2 1 352.526 3.384 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000430161787 500202348 /nfs/dbraw/zinc/20/23/48/500202348.db2.gz IKLDYWWXPDTTQL-JOCHJYFZSA-N 2 1 352.526 3.384 20 0 FGADMP C[C@H]1C[C@@H](NCc2ccc(F)cc2I)CC[N@H+]1C ZINC000417959115 500204662 /nfs/dbraw/zinc/20/46/62/500204662.db2.gz LKKHPAJBLSYUAY-GWCFXTLKSA-N 2 1 362.230 3.003 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983792 500209225 /nfs/dbraw/zinc/20/92/25/500209225.db2.gz CPRAXSFFPLJQRX-XZJROXQQSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983792 500209227 /nfs/dbraw/zinc/20/92/27/500209227.db2.gz CPRAXSFFPLJQRX-XZJROXQQSA-N 2 1 370.900 3.039 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000418125115 500233830 /nfs/dbraw/zinc/23/38/30/500233830.db2.gz IUNVEEDSYAAGLD-UHFFFAOYSA-N 2 1 362.558 3.302 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418148686 500237498 /nfs/dbraw/zinc/23/74/98/500237498.db2.gz ACQUOAWRGBBRAP-SXLOBPIMSA-N 2 1 372.557 3.198 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000430559618 500254125 /nfs/dbraw/zinc/25/41/25/500254125.db2.gz TXJZDRLPKDUZJK-SFHVURJKSA-N 2 1 351.560 3.273 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000430630622 500264072 /nfs/dbraw/zinc/26/40/72/500264072.db2.gz RRDMFSGWOZTBNQ-RWMBFGLXSA-N 2 1 358.313 3.230 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000430630622 500264075 /nfs/dbraw/zinc/26/40/75/500264075.db2.gz RRDMFSGWOZTBNQ-RWMBFGLXSA-N 2 1 358.313 3.230 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000576555148 506186081 /nfs/dbraw/zinc/18/60/81/506186081.db2.gz RBKBFOQDWYDIKI-XUVXKRRUSA-N 2 1 350.510 3.148 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000576555148 506186085 /nfs/dbraw/zinc/18/60/85/506186085.db2.gz RBKBFOQDWYDIKI-XUVXKRRUSA-N 2 1 350.510 3.148 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430684731 500270074 /nfs/dbraw/zinc/27/00/74/500270074.db2.gz OGGWOGDYGWQZTQ-SFHVURJKSA-N 2 1 370.541 3.232 20 0 FGADMP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418425230 500274590 /nfs/dbraw/zinc/27/45/90/500274590.db2.gz JEWQVWHNYQHHAO-HOJAQTOUSA-N 2 1 360.546 3.227 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC([NH3+])(CC)CC)CC1)CC1CC1 ZINC000418423845 500274962 /nfs/dbraw/zinc/27/49/62/500274962.db2.gz FWYJIFXXYOJPME-UHFFFAOYSA-N 2 1 352.567 3.048 20 0 FGADMP O=C(C[N@H+]1CC[C@@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460344 500274930 /nfs/dbraw/zinc/27/49/30/500274930.db2.gz NNSBAJBNOPVOAJ-HKUYNNGSSA-N 2 1 359.539 3.048 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000422564723 500275098 /nfs/dbraw/zinc/27/50/98/500275098.db2.gz WSJWJVUQLOLGDQ-GUTXKFCHSA-N 2 1 360.420 3.442 20 0 FGADMP O=C(C[N@H+]1CC[C@@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460348 500275178 /nfs/dbraw/zinc/27/51/78/500275178.db2.gz NNSBAJBNOPVOAJ-PKOBYXMFSA-N 2 1 359.539 3.048 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418427862 500275437 /nfs/dbraw/zinc/27/54/37/500275437.db2.gz OHENAQLYYLGELV-NJYVYQBISA-N 2 1 372.557 3.058 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430763893 500281617 /nfs/dbraw/zinc/28/16/17/500281617.db2.gz BPZGWIWCZUQAHB-GDBMZVCRSA-N 2 1 371.447 3.189 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1C ZINC000418482518 500281888 /nfs/dbraw/zinc/28/18/88/500281888.db2.gz FBTWXGLEMKFHDN-TYCQWZJGSA-N 2 1 368.525 3.354 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422697152 500287260 /nfs/dbraw/zinc/28/72/60/500287260.db2.gz UAPVKYWCIKYTQK-OALUTQOASA-N 3 1 363.546 3.165 20 0 FGADMP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422723044 500289696 /nfs/dbraw/zinc/28/96/96/500289696.db2.gz ZLJFMPSKICXIML-FVQBIDKESA-N 2 1 373.722 3.349 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422745630 500293221 /nfs/dbraw/zinc/29/32/21/500293221.db2.gz MPXOICSOSCCVLY-KCLUMXDGSA-N 2 1 357.542 3.342 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422745632 500293368 /nfs/dbraw/zinc/29/33/68/500293368.db2.gz MPXOICSOSCCVLY-WJMWBRGCSA-N 2 1 357.542 3.342 20 0 FGADMP COc1ccc([C@@H](NCC[N@@H+](C)Cc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422769125 500295741 /nfs/dbraw/zinc/29/57/41/500295741.db2.gz UMOXGNDWYMCAFS-FGZHOGPDSA-N 2 1 353.510 3.210 20 0 FGADMP C[N@@H+](CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804120 500300679 /nfs/dbraw/zinc/30/06/79/500300679.db2.gz KBAWXJLYWCNFMK-IRLDBZIGSA-N 2 1 357.542 3.487 20 0 FGADMP C[N@H+](CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804120 500300682 /nfs/dbraw/zinc/30/06/82/500300682.db2.gz KBAWXJLYWCNFMK-IRLDBZIGSA-N 3 1 357.542 3.487 20 0 FGADMP C[N@@H+](CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804120 500300683 /nfs/dbraw/zinc/30/06/83/500300683.db2.gz KBAWXJLYWCNFMK-IRLDBZIGSA-N 3 1 357.542 3.487 20 0 FGADMP COc1ccc([C@H](NC[C@@H](c2ccsc2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422809845 500301458 /nfs/dbraw/zinc/30/14/58/500301458.db2.gz SLTNCBDWOYUUTN-UFYCRDLUSA-N 2 1 359.539 3.442 20 0 FGADMP COc1ccc([C@H](NC[C@H](c2ccsc2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422809844 500301511 /nfs/dbraw/zinc/30/15/11/500301511.db2.gz SLTNCBDWOYUUTN-AQNXPRMDSA-N 2 1 359.539 3.442 20 0 FGADMP CC[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813412 500301516 /nfs/dbraw/zinc/30/15/16/500301516.db2.gz YCQCLGHTELJRDY-NMNUPHIUSA-N 2 1 351.538 3.371 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Br)c1c[nH+]ccc1N ZINC000422833960 500303309 /nfs/dbraw/zinc/30/33/09/500303309.db2.gz HFPXUVMWGHBCQR-NWDGAFQWSA-N 2 1 350.260 3.375 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422850971 500305164 /nfs/dbraw/zinc/30/51/64/500305164.db2.gz WMBLFHNGAMALMP-KRWDZBQOSA-N 2 1 352.526 3.206 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860229 500306818 /nfs/dbraw/zinc/30/68/18/500306818.db2.gz LCQSXZKTWRXPQW-RLLPEYFOSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860229 500306820 /nfs/dbraw/zinc/30/68/20/500306820.db2.gz LCQSXZKTWRXPQW-RLLPEYFOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860229 500306821 /nfs/dbraw/zinc/30/68/21/500306821.db2.gz LCQSXZKTWRXPQW-RLLPEYFOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860231 500306896 /nfs/dbraw/zinc/30/68/96/500306896.db2.gz LCQSXZKTWRXPQW-YJSIEXFISA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860231 500306897 /nfs/dbraw/zinc/30/68/97/500306897.db2.gz LCQSXZKTWRXPQW-YJSIEXFISA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422860231 500306899 /nfs/dbraw/zinc/30/68/99/500306899.db2.gz LCQSXZKTWRXPQW-YJSIEXFISA-N 2 1 371.569 3.308 20 0 FGADMP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cs1 ZINC000430922414 500307578 /nfs/dbraw/zinc/30/75/78/500307578.db2.gz AENMKPRSSAUCIU-HNNXBMFYSA-N 2 1 372.538 3.192 20 0 FGADMP C[C@H](CCC[NH3+])NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000418693165 500308554 /nfs/dbraw/zinc/30/85/54/500308554.db2.gz STAWUKLPRRSZEQ-LJQANCHMSA-N 2 1 372.557 3.344 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915285 500316331 /nfs/dbraw/zinc/31/63/31/500316331.db2.gz APVCFNKVJAVHQE-YPAWHYETSA-N 2 1 356.558 3.157 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422944326 500321393 /nfs/dbraw/zinc/32/13/93/500321393.db2.gz LLSCPQIEYYVEGC-BZUAXINKSA-N 2 1 353.304 3.468 20 0 FGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423011011 500330391 /nfs/dbraw/zinc/33/03/91/500330391.db2.gz HYFKBHKNSALXIQ-KSZLIROESA-N 2 1 352.906 3.028 20 0 FGADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)c(Cl)c1 ZINC000423024528 500332354 /nfs/dbraw/zinc/33/23/54/500332354.db2.gz LVVRWBZMAAWUIQ-ZTFGCOKTSA-N 2 1 352.881 3.257 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423065995 500337193 /nfs/dbraw/zinc/33/71/93/500337193.db2.gz VTRLGRXFOLQCKO-STQMWFEESA-N 2 1 350.388 3.442 20 0 FGADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127635 500345963 /nfs/dbraw/zinc/34/59/63/500345963.db2.gz CGTQQNWQFLFDLL-BAGYTPMASA-N 3 1 371.569 3.035 20 0 FGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423191814 500353556 /nfs/dbraw/zinc/35/35/56/500353556.db2.gz UDMCZLFJFIRNOX-INIZCTEOSA-N 2 1 367.497 3.196 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H](C)[C@H]1C ZINC000419374931 500358609 /nfs/dbraw/zinc/35/86/09/500358609.db2.gz QOWFLKQEJDWEPV-IKGGRYGDSA-N 2 1 361.555 3.150 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281416 500358671 /nfs/dbraw/zinc/35/86/71/500358671.db2.gz FNMQVXGKHMAONW-YYWHXJBOSA-N 2 1 374.573 3.414 20 0 FGADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423281324 500361172 /nfs/dbraw/zinc/36/11/72/500361172.db2.gz UGRYNTBLURFXTM-OTYXRUKQSA-N 2 1 363.811 3.403 20 0 FGADMP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423522770 500381896 /nfs/dbraw/zinc/38/18/96/500381896.db2.gz RQKFQXFCQKUSNQ-HZPDHXFCSA-N 2 1 361.486 3.295 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@H]3C2)cc1 ZINC000423551896 500384115 /nfs/dbraw/zinc/38/41/15/500384115.db2.gz URQNWFPVWTZSLK-AJIIZAQNSA-N 3 1 353.554 3.265 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000431624264 500400027 /nfs/dbraw/zinc/40/00/27/500400027.db2.gz VSGIPNWZLDSJFZ-NRFANRHFSA-N 2 1 353.510 3.318 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@H](C)[NH3+] ZINC000423810720 500404461 /nfs/dbraw/zinc/40/44/61/500404461.db2.gz BDCPRVHUQVCTLA-ZUXXIDCJSA-N 2 1 369.912 3.208 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689896 500421431 /nfs/dbraw/zinc/42/14/31/500421431.db2.gz RFTTZVMCWSLNLX-RDJZCZTQSA-N 2 1 371.447 3.304 20 0 FGADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H](C[NH3+])C1CC1 ZINC000423940302 500422130 /nfs/dbraw/zinc/42/21/30/500422130.db2.gz ACPBBAKRWQZUMF-OAQYLSRUSA-N 2 1 351.494 3.128 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957640 500424304 /nfs/dbraw/zinc/42/43/04/500424304.db2.gz AULNIBMPEGENIA-CTNGQTDRSA-N 2 1 355.526 3.275 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845265 500433421 /nfs/dbraw/zinc/43/34/21/500433421.db2.gz NSWJGPIARHQCKU-CEWLAPEOSA-N 2 1 355.526 3.155 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000420299948 500436580 /nfs/dbraw/zinc/43/65/80/500436580.db2.gz BYHRAXCUBGWFPG-KNXALSJPSA-N 2 1 357.267 3.026 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420310406 500439032 /nfs/dbraw/zinc/43/90/32/500439032.db2.gz FYYQRQBBYBMQEX-ZACQAIPSSA-N 2 1 353.466 3.475 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420310406 500439035 /nfs/dbraw/zinc/43/90/35/500439035.db2.gz FYYQRQBBYBMQEX-ZACQAIPSSA-N 2 1 353.466 3.475 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000420314225 500439667 /nfs/dbraw/zinc/43/96/67/500439667.db2.gz VJLJOMZQQMSJFZ-CEWLAPEOSA-N 2 1 358.526 3.441 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000420318481 500441170 /nfs/dbraw/zinc/44/11/70/500441170.db2.gz OCOFBBVSQMUAAZ-NRFANRHFSA-N 2 1 359.558 3.326 20 0 FGADMP Brc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328484 500442876 /nfs/dbraw/zinc/44/28/76/500442876.db2.gz ZOMPNQJZNVYGQG-RHSMWYFYSA-N 2 1 353.304 3.212 20 0 FGADMP CCN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000420333261 500443140 /nfs/dbraw/zinc/44/31/40/500443140.db2.gz KDZHAEIGSVPZOA-KDURUIRLSA-N 2 1 351.494 3.124 20 0 FGADMP Brc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332749 500443206 /nfs/dbraw/zinc/44/32/06/500443206.db2.gz SHWYTTIWRBSKMY-CABCVRRESA-N 2 1 353.304 3.149 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(C)n1CC(F)(F)F ZINC000420336966 500444126 /nfs/dbraw/zinc/44/41/26/500444126.db2.gz MTFNTBBBIFXAHQ-KRWDZBQOSA-N 2 1 371.447 3.314 20 0 FGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340622 500444970 /nfs/dbraw/zinc/44/49/70/500444970.db2.gz MXHYUCZGEBIBKA-AEGPPILISA-N 2 1 360.527 3.396 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420376777 500450349 /nfs/dbraw/zinc/45/03/49/500450349.db2.gz RJRBOERTFUVHQH-PXNSSMCTSA-N 2 1 372.488 3.001 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420376777 500450350 /nfs/dbraw/zinc/45/03/50/500450350.db2.gz RJRBOERTFUVHQH-PXNSSMCTSA-N 2 1 372.488 3.001 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420387170 500453440 /nfs/dbraw/zinc/45/34/40/500453440.db2.gz JWOZQUUCRNUMOU-PZJWPPBQSA-N 2 1 360.498 3.006 20 0 FGADMP C[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420416287 500457553 /nfs/dbraw/zinc/45/75/53/500457553.db2.gz VRSMNUFMFPKUJJ-MMOPVJDHSA-N 2 1 371.550 3.261 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)C1CCCCC1 ZINC000582367830 506197649 /nfs/dbraw/zinc/19/76/49/506197649.db2.gz GBDBNUXQXWPWFJ-RBUKOAKNSA-N 2 1 363.933 3.024 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285624 500480948 /nfs/dbraw/zinc/48/09/48/500480948.db2.gz GCSLYFNKESSYBX-ICSRJNTNSA-N 2 1 357.542 3.354 20 0 FGADMP CC[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287626 500481714 /nfs/dbraw/zinc/48/17/14/500481714.db2.gz JERLXMPLQXHAQR-QAPCUYQASA-N 2 1 363.933 3.371 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424292930 500482329 /nfs/dbraw/zinc/48/23/29/500482329.db2.gz OWIMOQLGXSCAIS-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424292930 500482331 /nfs/dbraw/zinc/48/23/31/500482331.db2.gz OWIMOQLGXSCAIS-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292128 500482385 /nfs/dbraw/zinc/48/23/85/500482385.db2.gz OCRPFMINDWNQRU-QZTJIDSGSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297574 500483066 /nfs/dbraw/zinc/48/30/66/500483066.db2.gz SYROPUHKISWDQM-CVEARBPZSA-N 2 1 363.933 3.323 20 0 FGADMP COc1ccc(Br)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424298158 500483348 /nfs/dbraw/zinc/48/33/48/500483348.db2.gz TZKPNZVGDSOYTR-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000424433072 500504566 /nfs/dbraw/zinc/50/45/66/500504566.db2.gz IAETUGMCCMJYMQ-QGZVFWFLSA-N 2 1 354.498 3.486 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420813658 500508040 /nfs/dbraw/zinc/50/80/40/500508040.db2.gz YMLPVOGKYTVSBG-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420813658 500508041 /nfs/dbraw/zinc/50/80/41/500508041.db2.gz YMLPVOGKYTVSBG-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420828193 500510905 /nfs/dbraw/zinc/51/09/05/500510905.db2.gz DCPBLFAKCNTILW-XVAXZDLZSA-N 2 1 374.573 3.315 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404277 500510991 /nfs/dbraw/zinc/51/09/91/500510991.db2.gz DKAHAMFWCYLMHP-DLBZAZTESA-N 2 1 374.504 3.471 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404277 500510992 /nfs/dbraw/zinc/51/09/92/500510992.db2.gz DKAHAMFWCYLMHP-DLBZAZTESA-N 2 1 374.504 3.471 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[N@H+]3CCCO[C@H](C)C3)CC2)C1 ZINC000432416955 500513542 /nfs/dbraw/zinc/51/35/42/500513542.db2.gz JSCHGIHDGOUFJB-SFHLNBCPSA-N 2 1 351.579 3.120 20 0 FGADMP Cc1cc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC000420847904 500514440 /nfs/dbraw/zinc/51/44/40/500514440.db2.gz KWGATBXFGQQLCK-SFHVURJKSA-N 2 1 352.482 3.114 20 0 FGADMP Cc1cc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc(C)n1 ZINC000420847904 500514442 /nfs/dbraw/zinc/51/44/42/500514442.db2.gz KWGATBXFGQQLCK-SFHVURJKSA-N 2 1 352.482 3.114 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000420847446 500514554 /nfs/dbraw/zinc/51/45/54/500514554.db2.gz QLIGTBDGHGCILA-UHFFFAOYSA-N 2 1 372.557 3.213 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432428911 500515167 /nfs/dbraw/zinc/51/51/67/500515167.db2.gz OBBWOCAWUYKJPN-QAPCUYQASA-N 2 1 350.528 3.323 20 0 FGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420922959 500530797 /nfs/dbraw/zinc/53/07/97/500530797.db2.gz OZRLYZVEJFNYEN-FQEVSTJZSA-N 2 1 374.525 3.073 20 0 FGADMP Cn1cc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C)cn1 ZINC000420935967 500535164 /nfs/dbraw/zinc/53/51/64/500535164.db2.gz KHJBHRBWRNLSDJ-FQEVSTJZSA-N 2 1 356.514 3.129 20 0 FGADMP CC(C)[N@H+](CCc1nccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945274 500537944 /nfs/dbraw/zinc/53/79/44/500537944.db2.gz ZCNQDKRBORSMEK-UHFFFAOYSA-N 2 1 359.539 3.428 20 0 FGADMP CC(C)[N@@H+](CCc1nccs1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420945274 500537946 /nfs/dbraw/zinc/53/79/46/500537946.db2.gz ZCNQDKRBORSMEK-UHFFFAOYSA-N 2 1 359.539 3.428 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000420949489 500538992 /nfs/dbraw/zinc/53/89/92/500538992.db2.gz QHNVYSVDUIVSLF-KNQAVFIVSA-N 2 1 371.569 3.261 20 0 FGADMP CCCc1ccc([C@H](C)[N@H+](CC(N)=O)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000576642445 506204482 /nfs/dbraw/zinc/20/44/82/506204482.db2.gz DYAXGNYXQUHCQW-KRWDZBQOSA-N 2 1 365.521 3.333 20 0 FGADMP CCCc1ccc([C@H](C)[N@@H+](CC(N)=O)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000576642445 506204485 /nfs/dbraw/zinc/20/44/85/506204485.db2.gz DYAXGNYXQUHCQW-KRWDZBQOSA-N 2 1 365.521 3.333 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCCO1 ZINC000433021962 500607998 /nfs/dbraw/zinc/60/79/98/500607998.db2.gz SHKZNMSXBIQCLE-QGZVFWFLSA-N 2 1 362.514 3.232 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784383 500625243 /nfs/dbraw/zinc/62/52/43/500625243.db2.gz VUQAPCWPBHMUHL-NEPJUHHUSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784383 500625247 /nfs/dbraw/zinc/62/52/47/500625247.db2.gz VUQAPCWPBHMUHL-NEPJUHHUSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783786 500625339 /nfs/dbraw/zinc/62/53/39/500625339.db2.gz RZCYLAITYSWLKH-HLIPFELVSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783786 500625340 /nfs/dbraw/zinc/62/53/40/500625340.db2.gz RZCYLAITYSWLKH-HLIPFELVSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)C1 ZINC000433138415 500633831 /nfs/dbraw/zinc/63/38/31/500633831.db2.gz SGGIOVPZJFXXFY-SFHVURJKSA-N 3 1 372.557 3.060 20 0 FGADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2)C1 ZINC000433138415 500633834 /nfs/dbraw/zinc/63/38/34/500633834.db2.gz SGGIOVPZJFXXFY-SFHVURJKSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2)C1 ZINC000433138415 500633837 /nfs/dbraw/zinc/63/38/37/500633837.db2.gz SGGIOVPZJFXXFY-SFHVURJKSA-N 2 1 372.557 3.060 20 0 FGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724783 500653885 /nfs/dbraw/zinc/65/38/85/500653885.db2.gz YHJFCIGMXAAOTC-RTBURBONSA-N 2 1 357.498 3.417 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1OC ZINC000443056183 500670477 /nfs/dbraw/zinc/67/04/77/500670477.db2.gz CEDYIKHCXZEVAS-CQSZACIVSA-N 2 1 361.511 3.388 20 0 FGADMP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cs1 ZINC000443056523 500670789 /nfs/dbraw/zinc/67/07/89/500670789.db2.gz CUQIDPDSUUEGMN-INIZCTEOSA-N 2 1 372.538 3.194 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061680 500671564 /nfs/dbraw/zinc/67/15/64/500671564.db2.gz SDKHHXHOHCYTBD-KKSFZXQISA-N 2 1 361.505 3.234 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000443075909 500675120 /nfs/dbraw/zinc/67/51/20/500675120.db2.gz RUWILJZSDBOIOX-JTQLQIEISA-N 2 1 371.304 3.121 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000443075909 500675124 /nfs/dbraw/zinc/67/51/24/500675124.db2.gz RUWILJZSDBOIOX-JTQLQIEISA-N 2 1 371.304 3.121 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443079034 500676189 /nfs/dbraw/zinc/67/61/89/500676189.db2.gz YCLHSBHJSBCIIT-ZDUSSCGKSA-N 2 1 358.313 3.013 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564524 500713118 /nfs/dbraw/zinc/71/31/18/500713118.db2.gz PXPGBGNGQXIQSN-NHCUHLMSSA-N 2 1 370.541 3.140 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000448220223 500735511 /nfs/dbraw/zinc/73/55/11/500735511.db2.gz MXKKBKKCWKYRHW-LJQANCHMSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000448220223 500735514 /nfs/dbraw/zinc/73/55/14/500735514.db2.gz MXKKBKKCWKYRHW-LJQANCHMSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000448220223 500735516 /nfs/dbraw/zinc/73/55/16/500735516.db2.gz MXKKBKKCWKYRHW-LJQANCHMSA-N 2 1 366.594 3.308 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574983 500740898 /nfs/dbraw/zinc/74/08/98/500740898.db2.gz GCHGMHCHOGGWFQ-HFTRVMKXSA-N 2 1 358.448 3.271 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574983 500740893 /nfs/dbraw/zinc/74/08/93/500740893.db2.gz GCHGMHCHOGGWFQ-HFTRVMKXSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574983 500740895 /nfs/dbraw/zinc/74/08/95/500740895.db2.gz GCHGMHCHOGGWFQ-HFTRVMKXSA-N 2 1 358.448 3.271 20 0 FGADMP Cc1ccc2cc(C[NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438195075 500753638 /nfs/dbraw/zinc/75/36/38/500753638.db2.gz ZAAPCCPAXZKGLQ-QHCPKHFHSA-N 2 1 361.489 3.270 20 0 FGADMP Cc1ccc2cc(C[NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438195075 500753640 /nfs/dbraw/zinc/75/36/40/500753640.db2.gz ZAAPCCPAXZKGLQ-QHCPKHFHSA-N 2 1 361.489 3.270 20 0 FGADMP COCCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@@H]1CCCSC1 ZINC000448370935 500754818 /nfs/dbraw/zinc/75/48/18/500754818.db2.gz BKSUPRPVPHMWQY-OAHLLOKOSA-N 2 1 369.600 3.254 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C[C@H]1C ZINC000438328864 500770759 /nfs/dbraw/zinc/77/07/59/500770759.db2.gz UNDIWTDWVSRLQW-YZGWKJHDSA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@H]1C ZINC000438328864 500770762 /nfs/dbraw/zinc/77/07/62/500770762.db2.gz UNDIWTDWVSRLQW-YZGWKJHDSA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C[C@H]1C ZINC000438328864 500770763 /nfs/dbraw/zinc/77/07/63/500770763.db2.gz UNDIWTDWVSRLQW-YZGWKJHDSA-N 2 1 364.578 3.298 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348438 500774379 /nfs/dbraw/zinc/77/43/79/500774379.db2.gz XKLCFBPEXLTDNB-YLJYHZDGSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482302 500791036 /nfs/dbraw/zinc/79/10/36/500791036.db2.gz KSTXEWDGBMMXJK-UYAOXDASSA-N 2 1 357.542 3.134 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000438575297 500803851 /nfs/dbraw/zinc/80/38/51/500803851.db2.gz DBQBXBXRAXMYMU-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000438575297 500803854 /nfs/dbraw/zinc/80/38/54/500803854.db2.gz DBQBXBXRAXMYMU-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000438575297 500803857 /nfs/dbraw/zinc/80/38/57/500803857.db2.gz DBQBXBXRAXMYMU-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000438575297 500803858 /nfs/dbraw/zinc/80/38/58/500803858.db2.gz DBQBXBXRAXMYMU-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000438832470 500824480 /nfs/dbraw/zinc/82/44/80/500824480.db2.gz UVYLBTCUVUCUJN-OAQYLSRUSA-N 2 1 354.542 3.471 20 0 FGADMP Nc1cc[nH+]cc1C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444268963 500827260 /nfs/dbraw/zinc/82/72/60/500827260.db2.gz KHVJOOABSCDTOS-UHFFFAOYSA-N 2 1 364.493 3.155 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)CC(C)C ZINC000439200278 500869235 /nfs/dbraw/zinc/86/92/35/500869235.db2.gz PWIOQEPTHRFWCR-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000434653617 500873875 /nfs/dbraw/zinc/87/38/75/500873875.db2.gz BKCCMXKANWFEDG-UHFFFAOYSA-N 2 1 351.441 3.244 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C[C@H]2C)CC1 ZINC000439327895 500885306 /nfs/dbraw/zinc/88/53/06/500885306.db2.gz LFHNWYOIRAPONQ-UYAOXDASSA-N 2 1 357.542 3.244 20 0 FGADMP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434754474 500890027 /nfs/dbraw/zinc/89/00/27/500890027.db2.gz IPDZJVFBGNYSJW-FQEVSTJZSA-N 2 1 366.509 3.228 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCC[C@@H]2C)CC1 ZINC000449116598 500928948 /nfs/dbraw/zinc/92/89/48/500928948.db2.gz QABQLIBEKVADCF-ZCNNSNEGSA-N 2 1 371.569 3.461 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)NC2CCCCC2)CC1 ZINC000449123017 500930289 /nfs/dbraw/zinc/93/02/89/500930289.db2.gz NCWAWNXRWKUJJQ-SFHVURJKSA-N 2 1 357.542 3.121 20 0 FGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207226 500948170 /nfs/dbraw/zinc/94/81/70/500948170.db2.gz PSCDWHLPHPUIKL-PKOBYXMFSA-N 2 1 366.571 3.294 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207226 500948171 /nfs/dbraw/zinc/94/81/71/500948171.db2.gz PSCDWHLPHPUIKL-PKOBYXMFSA-N 2 1 366.571 3.294 20 0 FGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435373030 500961468 /nfs/dbraw/zinc/96/14/68/500961468.db2.gz CTVSZZRQJCETMI-MRXNPFEDSA-N 2 1 356.514 3.355 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435373030 500961470 /nfs/dbraw/zinc/96/14/70/500961470.db2.gz CTVSZZRQJCETMI-MRXNPFEDSA-N 2 1 356.514 3.355 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000435375571 500962339 /nfs/dbraw/zinc/96/23/39/500962339.db2.gz VLMXVFOVQABQMM-KXBFYZLASA-N 2 1 356.514 3.483 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000435375571 500962342 /nfs/dbraw/zinc/96/23/42/500962342.db2.gz VLMXVFOVQABQMM-KXBFYZLASA-N 2 1 356.514 3.483 20 0 FGADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000445267936 500963006 /nfs/dbraw/zinc/96/30/06/500963006.db2.gz VJBNCSMNRIUMPS-SFHVURJKSA-N 2 1 369.553 3.112 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000435377314 500963336 /nfs/dbraw/zinc/96/33/36/500963336.db2.gz AEOMQNKWXNPIEN-GOSISDBHSA-N 2 1 372.513 3.054 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000435378881 500963931 /nfs/dbraw/zinc/96/39/31/500963931.db2.gz ABWOKUYHDWZEEY-NDXORKPFSA-N 2 1 367.493 3.228 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435386615 500965045 /nfs/dbraw/zinc/96/50/45/500965045.db2.gz XPHKXPOJYSIEJY-KSEOMHKRSA-N 2 1 373.504 3.163 20 0 FGADMP c1cnn(-c2cccc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c2)c1 ZINC000435392306 500966713 /nfs/dbraw/zinc/96/67/13/500966713.db2.gz WCJVXRLXPYZDHT-NRFANRHFSA-N 2 1 361.493 3.412 20 0 FGADMP c1cnn(-c2cccc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c2)c1 ZINC000435392306 500966716 /nfs/dbraw/zinc/96/67/16/500966716.db2.gz WCJVXRLXPYZDHT-NRFANRHFSA-N 2 1 361.493 3.412 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)c2)cc1 ZINC000435395073 500967374 /nfs/dbraw/zinc/96/73/74/500967374.db2.gz QTMGQIWTLVXONJ-QRWLVFNGSA-N 2 1 353.466 3.117 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)c2)cc1 ZINC000435395073 500967375 /nfs/dbraw/zinc/96/73/75/500967375.db2.gz QTMGQIWTLVXONJ-QRWLVFNGSA-N 2 1 353.466 3.117 20 0 FGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343929 500982633 /nfs/dbraw/zinc/98/26/33/500982633.db2.gz OFTDTODFEITDIE-MISYRCLQSA-N 2 1 360.567 3.256 20 0 FGADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197894 500986386 /nfs/dbraw/zinc/98/63/86/500986386.db2.gz WVKGLCVVNPEBAF-IQNGYNMSSA-N 2 1 364.578 3.011 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000440323893 500996615 /nfs/dbraw/zinc/99/66/15/500996615.db2.gz DXAPELDWOVHGJM-APWZRJJASA-N 2 1 374.554 3.432 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000440323893 500996617 /nfs/dbraw/zinc/99/66/17/500996617.db2.gz DXAPELDWOVHGJM-APWZRJJASA-N 2 1 374.554 3.432 20 0 FGADMP COc1c(C)c[nH+]c(CN(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1C ZINC000435624978 501003609 /nfs/dbraw/zinc/00/36/09/501003609.db2.gz GQJVHLCZQZSRBQ-LJQANCHMSA-N 2 1 354.498 3.246 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435629177 501004617 /nfs/dbraw/zinc/00/46/17/501004617.db2.gz WXOIRSQNKJLKDG-FPOVZHCZSA-N 2 1 373.541 3.213 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435629177 501004618 /nfs/dbraw/zinc/00/46/18/501004618.db2.gz WXOIRSQNKJLKDG-FPOVZHCZSA-N 2 1 373.541 3.213 20 0 FGADMP [NH3+]Cc1nc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)cs1 ZINC000435725223 501018297 /nfs/dbraw/zinc/01/82/97/501018297.db2.gz FTJCCMNWUSMGGI-UHFFFAOYSA-N 2 1 355.467 3.305 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508639 501021259 /nfs/dbraw/zinc/02/12/59/501021259.db2.gz VHMZRVYGZHGGLS-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508639 501021262 /nfs/dbraw/zinc/02/12/62/501021262.db2.gz VHMZRVYGZHGGLS-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508639 501021263 /nfs/dbraw/zinc/02/12/63/501021263.db2.gz VHMZRVYGZHGGLS-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508639 501021265 /nfs/dbraw/zinc/02/12/65/501021265.db2.gz VHMZRVYGZHGGLS-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511035 501022012 /nfs/dbraw/zinc/02/20/12/501022012.db2.gz YECRFBAOIRKEDC-RBBKRZOGSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511035 501022014 /nfs/dbraw/zinc/02/20/14/501022014.db2.gz YECRFBAOIRKEDC-RBBKRZOGSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511035 501022016 /nfs/dbraw/zinc/02/20/16/501022016.db2.gz YECRFBAOIRKEDC-RBBKRZOGSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511035 501022019 /nfs/dbraw/zinc/02/20/19/501022019.db2.gz YECRFBAOIRKEDC-RBBKRZOGSA-N 2 1 371.569 3.446 20 0 FGADMP c1nnc([C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000449667307 501055780 /nfs/dbraw/zinc/05/57/80/501055780.db2.gz IPKPWWVBTVXTGB-OAQYLSRUSA-N 2 1 361.493 3.191 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440883011 501059652 /nfs/dbraw/zinc/05/96/52/501059652.db2.gz XNMIELJFWAXEFU-HXUWFJFHSA-N 2 1 371.529 3.272 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)cc2Br)CC1(C)C ZINC000441327159 501120470 /nfs/dbraw/zinc/12/04/70/501120470.db2.gz GEUKEUKDDHSRBG-UHFFFAOYSA-N 2 1 374.754 3.218 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436401155 501120813 /nfs/dbraw/zinc/12/08/13/501120813.db2.gz OAJFEJKYZPPCOJ-SFHVURJKSA-N 2 1 353.441 3.163 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000450450600 501124497 /nfs/dbraw/zinc/12/44/97/501124497.db2.gz FGNCLZYANIRFTO-INIZCTEOSA-N 2 1 368.905 3.059 20 0 FGADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000446840436 501171920 /nfs/dbraw/zinc/17/19/20/501171920.db2.gz YYRHHMWQJJAKCS-WIYYLYMNSA-N 2 1 371.529 3.128 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446839790 501172045 /nfs/dbraw/zinc/17/20/45/501172045.db2.gz CDJRJALLFWJMQO-GOSISDBHSA-N 2 1 358.448 3.413 20 0 FGADMP COC[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921771 501181316 /nfs/dbraw/zinc/18/13/16/501181316.db2.gz UPIPUOKKAZMGHG-VCOUNFBDSA-N 2 1 360.542 3.318 20 0 FGADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871727 501221540 /nfs/dbraw/zinc/22/15/40/501221540.db2.gz HOMTYPFKDIVIRE-FGZHOGPDSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871727 501221542 /nfs/dbraw/zinc/22/15/42/501221542.db2.gz HOMTYPFKDIVIRE-FGZHOGPDSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000450871727 501221543 /nfs/dbraw/zinc/22/15/43/501221543.db2.gz HOMTYPFKDIVIRE-FGZHOGPDSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000450871727 501221545 /nfs/dbraw/zinc/22/15/45/501221545.db2.gz HOMTYPFKDIVIRE-FGZHOGPDSA-N 2 1 353.510 3.093 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000453059231 501260589 /nfs/dbraw/zinc/26/05/89/501260589.db2.gz MDLHDPTZSQRLPX-NRFANRHFSA-N 2 1 355.526 3.133 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453087041 501265816 /nfs/dbraw/zinc/26/58/16/501265816.db2.gz VHNXDPRYCARPBN-OYNPSCLESA-N 2 1 357.542 3.324 20 0 FGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CO2 ZINC000453098888 501268347 /nfs/dbraw/zinc/26/83/47/501268347.db2.gz XJURXHZAXOROOZ-OAQYLSRUSA-N 2 1 366.505 3.295 20 0 FGADMP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000453118893 501272878 /nfs/dbraw/zinc/27/28/78/501272878.db2.gz JMSZVTLXPCCVPY-KRWDZBQOSA-N 2 1 350.466 3.422 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453126747 501274819 /nfs/dbraw/zinc/27/48/19/501274819.db2.gz KTQMVNCRTFDGET-ACESQOTJSA-N 3 1 373.585 3.376 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453126747 501274820 /nfs/dbraw/zinc/27/48/20/501274820.db2.gz KTQMVNCRTFDGET-ACESQOTJSA-N 2 1 373.585 3.376 20 0 FGADMP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453250327 501299534 /nfs/dbraw/zinc/29/95/34/501299534.db2.gz HCZURQDIIOKPCM-FNAHDJPLSA-N 2 1 360.542 3.054 20 0 FGADMP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CC2 ZINC000453252986 501300021 /nfs/dbraw/zinc/30/00/21/501300021.db2.gz MYOWOBKDUGJDOV-MDPIYQRISA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)C2 ZINC000453252986 501300022 /nfs/dbraw/zinc/30/00/22/501300022.db2.gz MYOWOBKDUGJDOV-MDPIYQRISA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)C2 ZINC000453252986 501300023 /nfs/dbraw/zinc/30/00/23/501300023.db2.gz MYOWOBKDUGJDOV-MDPIYQRISA-N 2 1 350.510 3.300 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453316730 501313860 /nfs/dbraw/zinc/31/38/60/501313860.db2.gz JXRDZWHOIQOYDD-XNBWIAOKSA-N 2 1 372.553 3.318 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533219 501314997 /nfs/dbraw/zinc/31/49/97/501314997.db2.gz VRBOMMAULMNOTG-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533219 501315000 /nfs/dbraw/zinc/31/50/00/501315000.db2.gz VRBOMMAULMNOTG-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533219 501315002 /nfs/dbraw/zinc/31/50/02/501315002.db2.gz VRBOMMAULMNOTG-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533219 501315006 /nfs/dbraw/zinc/31/50/06/501315006.db2.gz VRBOMMAULMNOTG-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533219 501315009 /nfs/dbraw/zinc/31/50/09/501315009.db2.gz VRBOMMAULMNOTG-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1ccc(I)cc1)C1CC1 ZINC000453598033 501357510 /nfs/dbraw/zinc/35/75/10/501357510.db2.gz PAUXMSNVSVUHFS-UHFFFAOYSA-N 2 1 358.267 3.255 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)ccc21 ZINC000455863802 501402160 /nfs/dbraw/zinc/40/21/60/501402160.db2.gz SIJIVVSVHNHVOQ-RTBURBONSA-N 2 1 358.530 3.477 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1ccccc1 ZINC000458275722 501409773 /nfs/dbraw/zinc/40/97/73/501409773.db2.gz CTSWRWXTEUPFLQ-FQEVSTJZSA-N 2 1 373.472 3.398 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1ccccc1 ZINC000458275722 501409775 /nfs/dbraw/zinc/40/97/75/501409775.db2.gz CTSWRWXTEUPFLQ-FQEVSTJZSA-N 2 1 373.472 3.398 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396850 501435732 /nfs/dbraw/zinc/43/57/32/501435732.db2.gz DCZLDQDXQLQRQD-MOPGFXCFSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512551 501463343 /nfs/dbraw/zinc/46/33/43/501463343.db2.gz YIHPTPBSZPJJDD-TYPHKJRUSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512551 501463346 /nfs/dbraw/zinc/46/33/46/501463346.db2.gz YIHPTPBSZPJJDD-TYPHKJRUSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000456353606 501507617 /nfs/dbraw/zinc/50/76/17/501507617.db2.gz ZQFDWLCNTVRXJX-LJQANCHMSA-N 2 1 365.521 3.342 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793584 501532828 /nfs/dbraw/zinc/53/28/28/501532828.db2.gz NNMHKNFPPWXSDI-TZIWHRDSSA-N 2 1 374.573 3.225 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456998679 501632728 /nfs/dbraw/zinc/63/27/28/501632728.db2.gz SGOQRTFGICDRCT-FGZHOGPDSA-N 2 1 363.505 3.072 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456998679 501632731 /nfs/dbraw/zinc/63/27/31/501632731.db2.gz SGOQRTFGICDRCT-FGZHOGPDSA-N 2 1 363.505 3.072 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)CC1 ZINC000459375405 501641973 /nfs/dbraw/zinc/64/19/73/501641973.db2.gz MVMWIWYJWNBVHR-UHFFFAOYSA-N 2 1 363.505 3.241 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(O)c2Br)C[C@H](C)O1 ZINC000459385528 501643861 /nfs/dbraw/zinc/64/38/61/501643861.db2.gz JNPHWPBTXJIRIP-OKILXGFUSA-N 2 1 371.319 3.134 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433417 501653188 /nfs/dbraw/zinc/65/31/88/501653188.db2.gz NJSHXYZEHHIWMG-FPOVZHCZSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433417 501653190 /nfs/dbraw/zinc/65/31/90/501653190.db2.gz NJSHXYZEHHIWMG-FPOVZHCZSA-N 2 1 358.913 3.355 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000459436193 501653335 /nfs/dbraw/zinc/65/33/35/501653335.db2.gz FLXZGVGAIKEHCA-APWZRJJASA-N 2 1 374.554 3.049 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000459472364 501659498 /nfs/dbraw/zinc/65/94/98/501659498.db2.gz WESWELPCSOEMJK-UHFFFAOYSA-N 2 1 351.498 3.412 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000459486287 501662215 /nfs/dbraw/zinc/66/22/15/501662215.db2.gz PIJRJHFWAPLKPC-SFHVURJKSA-N 2 1 360.542 3.296 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000459693715 501699808 /nfs/dbraw/zinc/69/98/08/501699808.db2.gz ZUHNKSJIECJOFB-UNMCSNQZSA-N 2 1 369.553 3.218 20 0 FGADMP COc1cccc2c1C[C@@H]([NH2+]Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)C2 ZINC000459704125 501701164 /nfs/dbraw/zinc/70/11/64/501701164.db2.gz PKEULCOWQDUIIV-HNNXBMFYSA-N 2 1 357.523 3.175 20 0 FGADMP COc1cccc2c1C[C@@H]([NH2+]Cc1nc3c(s1)C[N@H+](C(C)C)CC3)C2 ZINC000459704125 501701167 /nfs/dbraw/zinc/70/11/67/501701167.db2.gz PKEULCOWQDUIIV-HNNXBMFYSA-N 2 1 357.523 3.175 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457433 501702032 /nfs/dbraw/zinc/70/20/32/501702032.db2.gz NQTKMAIVSPVTHG-UYAOXDASSA-N 2 1 360.546 3.101 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464567 501703796 /nfs/dbraw/zinc/70/37/96/501703796.db2.gz VXCMBWSDHOMTQW-PMACEKPBSA-N 2 1 360.546 3.194 20 0 FGADMP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000459727456 501704886 /nfs/dbraw/zinc/70/48/86/501704886.db2.gz FGLQBDMZYNIAJU-HXUWFJFHSA-N 2 1 354.494 3.025 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500242 501711671 /nfs/dbraw/zinc/71/16/71/501711671.db2.gz XHJXBWHNIDUNOL-IAGOWNOFSA-N 2 1 364.559 3.009 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000459800218 501715712 /nfs/dbraw/zinc/71/57/12/501715712.db2.gz ZHTKKMIGAUTDDK-CQSZACIVSA-N 2 1 358.267 3.113 20 0 FGADMP CO[C@H]1C[NH+](Cc2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758540 /nfs/dbraw/zinc/75/85/40/501758540.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@H+](Cc2ccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758546 /nfs/dbraw/zinc/75/85/46/501758546.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286946 501758550 /nfs/dbraw/zinc/75/85/50/501758550.db2.gz BSMQKIQQPONZMW-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000474289450 501777290 /nfs/dbraw/zinc/77/72/90/501777290.db2.gz AXHDHWOGRRNVEB-MRXNPFEDSA-N 2 1 371.529 3.422 20 0 FGADMP CCC[N@H+](CCCc1nc(C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000477753418 501777674 /nfs/dbraw/zinc/77/76/74/501777674.db2.gz FUJCGPMBHXPGML-UHFFFAOYSA-N 2 1 372.517 3.098 20 0 FGADMP CCC[N@@H+](CCCc1nc(C)no1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000477753418 501777681 /nfs/dbraw/zinc/77/76/81/501777681.db2.gz FUJCGPMBHXPGML-UHFFFAOYSA-N 2 1 372.517 3.098 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000474314819 501787425 /nfs/dbraw/zinc/78/74/25/501787425.db2.gz UALIEWZBYCHESF-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000474314819 501787430 /nfs/dbraw/zinc/78/74/30/501787430.db2.gz UALIEWZBYCHESF-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474339223 501795778 /nfs/dbraw/zinc/79/57/78/501795778.db2.gz VEEFYBAUVOQJIT-LMDPOFIKSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485357886 501797426 /nfs/dbraw/zinc/79/74/26/501797426.db2.gz MPTJXHMWGFVVKX-RCZSKKKRSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485357886 501797432 /nfs/dbraw/zinc/79/74/32/501797432.db2.gz MPTJXHMWGFVVKX-RCZSKKKRSA-N 2 1 363.505 3.292 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460359441 501803813 /nfs/dbraw/zinc/80/38/13/501803813.db2.gz FNSWPKPBHNMKJP-QRVBRYPASA-N 2 1 374.573 3.171 20 0 FGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000474464890 501845067 /nfs/dbraw/zinc/84/50/67/501845067.db2.gz VGDZSZTYXFPBHP-FCHUYYIVSA-N 2 1 359.558 3.119 20 0 FGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000474467830 501845496 /nfs/dbraw/zinc/84/54/96/501845496.db2.gz LIUIFKVEQVUUMJ-BDTNDASRSA-N 2 1 359.558 3.160 20 0 FGADMP Cn1c2ccccc2nc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011110 501891454 /nfs/dbraw/zinc/89/14/54/501891454.db2.gz YXSFLYRLPLQKFE-BGYRXZFFSA-N 2 1 360.505 3.180 20 0 FGADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011110 501891459 /nfs/dbraw/zinc/89/14/59/501891459.db2.gz YXSFLYRLPLQKFE-BGYRXZFFSA-N 2 1 360.505 3.180 20 0 FGADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471011110 501891466 /nfs/dbraw/zinc/89/14/66/501891466.db2.gz YXSFLYRLPLQKFE-BGYRXZFFSA-N 2 1 360.505 3.180 20 0 FGADMP C([NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000464078604 501892239 /nfs/dbraw/zinc/89/22/39/501892239.db2.gz RMJWYJJDNDTDBU-XUVXKRRUSA-N 2 1 350.547 3.206 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468007038 501927980 /nfs/dbraw/zinc/92/79/80/501927980.db2.gz UJZRUULDEGJPHB-UYAOXDASSA-N 2 1 372.557 3.242 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000468029099 501934724 /nfs/dbraw/zinc/93/47/24/501934724.db2.gz JVRHHFVPIVIDJM-PXNSSMCTSA-N 2 1 371.529 3.256 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000474737292 501938221 /nfs/dbraw/zinc/93/82/21/501938221.db2.gz NCDOPDOSCZOILU-LJQANCHMSA-N 2 1 357.542 3.206 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000474737292 501938227 /nfs/dbraw/zinc/93/82/27/501938227.db2.gz NCDOPDOSCZOILU-LJQANCHMSA-N 2 1 357.542 3.206 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000474737292 501938229 /nfs/dbraw/zinc/93/82/29/501938229.db2.gz NCDOPDOSCZOILU-LJQANCHMSA-N 2 1 357.542 3.206 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000460879086 501947874 /nfs/dbraw/zinc/94/78/74/501947874.db2.gz IOOAHYGIRAFMQY-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP Cc1cc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000460887437 501950022 /nfs/dbraw/zinc/95/00/22/501950022.db2.gz QVENJDFSYVTHOU-GOSISDBHSA-N 2 1 373.545 3.054 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033583 501952604 /nfs/dbraw/zinc/95/26/04/501952604.db2.gz OVYHFSHZGGMVLZ-WIYYLYMNSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033583 501952610 /nfs/dbraw/zinc/95/26/10/501952610.db2.gz OVYHFSHZGGMVLZ-WIYYLYMNSA-N 2 1 357.542 3.183 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000460967134 501973899 /nfs/dbraw/zinc/97/38/99/501973899.db2.gz CGHPORHMFLNVFG-FQEVSTJZSA-N 2 1 371.569 3.275 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113380 501978500 /nfs/dbraw/zinc/97/85/00/501978500.db2.gz JTRGQPXXEWVJGO-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000482156013 501991809 /nfs/dbraw/zinc/99/18/09/501991809.db2.gz HOLXGACCPQBFNN-PBHICJAKSA-N 2 1 353.457 3.394 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)CC3CCCC3)CC2)CC1 ZINC000475037346 502030626 /nfs/dbraw/zinc/03/06/26/502030626.db2.gz CUPCVUUZGBWPKZ-QFIPXVFZSA-N 2 1 365.606 3.056 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)CC1CCCC1 ZINC000475037346 502030628 /nfs/dbraw/zinc/03/06/28/502030628.db2.gz CUPCVUUZGBWPKZ-QFIPXVFZSA-N 3 1 365.606 3.056 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)CC1CCCC1 ZINC000475037346 502030632 /nfs/dbraw/zinc/03/06/32/502030632.db2.gz CUPCVUUZGBWPKZ-QFIPXVFZSA-N 3 1 365.606 3.056 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259979 502054134 /nfs/dbraw/zinc/05/41/34/502054134.db2.gz GBWRDNQSILZXBF-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461259979 502054137 /nfs/dbraw/zinc/05/41/37/502054137.db2.gz GBWRDNQSILZXBF-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461259979 502054140 /nfs/dbraw/zinc/05/41/40/502054140.db2.gz GBWRDNQSILZXBF-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475100680 502058838 /nfs/dbraw/zinc/05/88/38/502058838.db2.gz KACXEBGRGSCLHO-UXHICEINSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475106676 502061708 /nfs/dbraw/zinc/06/17/08/502061708.db2.gz BTMPVCFFXXAEHM-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCC1(CC)C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000475128313 502069707 /nfs/dbraw/zinc/06/97/07/502069707.db2.gz LLGAZUWAOGGLRW-GOSISDBHSA-N 2 1 363.571 3.013 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCCC[C@H]3C)CC2)cc1 ZINC000475157364 502085434 /nfs/dbraw/zinc/08/54/34/502085434.db2.gz YOTIBRMZRFYRIM-TZIWHRDSSA-N 2 1 357.542 3.198 20 0 FGADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482553562 502108793 /nfs/dbraw/zinc/10/87/93/502108793.db2.gz JGIYVYHTXIBTQJ-FUHWJXTLSA-N 2 1 363.571 3.425 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(F)c2)C2CCCC2)CC1 ZINC000464865624 502128373 /nfs/dbraw/zinc/12/83/73/502128373.db2.gz IRCDXJCQBAMCMO-UHFFFAOYSA-N 2 1 361.505 3.171 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473185 502128403 /nfs/dbraw/zinc/12/84/03/502128403.db2.gz QCWFVZLYMGDBHO-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636765 502134934 /nfs/dbraw/zinc/13/49/34/502134934.db2.gz MNXQVNFCROUFEQ-KNQAVFIVSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636765 502134939 /nfs/dbraw/zinc/13/49/39/502134939.db2.gz MNXQVNFCROUFEQ-KNQAVFIVSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636765 502134943 /nfs/dbraw/zinc/13/49/43/502134943.db2.gz MNXQVNFCROUFEQ-KNQAVFIVSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000479270114 502212301 /nfs/dbraw/zinc/21/23/01/502212301.db2.gz DNHIUCSLLVQOHH-JPLJXNOCSA-N 2 1 360.546 3.240 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000482920430 502217896 /nfs/dbraw/zinc/21/78/96/502217896.db2.gz METZOUYVORFPST-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000479342912 502230592 /nfs/dbraw/zinc/23/05/92/502230592.db2.gz HFGUSWCNQOMABL-UHFFFAOYSA-N 2 1 352.567 3.158 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139917 502245883 /nfs/dbraw/zinc/24/58/83/502245883.db2.gz IYJNOHFNAIKUMG-QZTJIDSGSA-N 2 1 371.525 3.163 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000465406657 502252872 /nfs/dbraw/zinc/25/28/72/502252872.db2.gz JMSLEIQPWQWTDW-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727568 502267465 /nfs/dbraw/zinc/26/74/65/502267465.db2.gz FKYHVRFWHBNEAI-NFBKMPQASA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727568 502267470 /nfs/dbraw/zinc/26/74/70/502267470.db2.gz FKYHVRFWHBNEAI-NFBKMPQASA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727568 502267475 /nfs/dbraw/zinc/26/74/75/502267475.db2.gz FKYHVRFWHBNEAI-NFBKMPQASA-N 2 1 369.553 3.376 20 0 FGADMP CC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CCC1 ZINC000483129463 502283960 /nfs/dbraw/zinc/28/39/60/502283960.db2.gz LAUKAXXPTMLUTG-UHFFFAOYSA-N 2 1 361.555 3.296 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462063460 502291938 /nfs/dbraw/zinc/29/19/38/502291938.db2.gz XBKJMIBRACXPDY-JOCHJYFZSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000462063460 502291943 /nfs/dbraw/zinc/29/19/43/502291943.db2.gz XBKJMIBRACXPDY-JOCHJYFZSA-N 2 1 363.505 3.042 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000472279453 502297004 /nfs/dbraw/zinc/29/70/04/502297004.db2.gz QOEFRQLEWPFSAC-IBGZPJMESA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000472279453 502297009 /nfs/dbraw/zinc/29/70/09/502297009.db2.gz QOEFRQLEWPFSAC-IBGZPJMESA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000472295435 502303878 /nfs/dbraw/zinc/30/38/78/502303878.db2.gz RDUPTKKMMLVTBC-INIZCTEOSA-N 2 1 367.921 3.101 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000465556786 502306566 /nfs/dbraw/zinc/30/65/66/502306566.db2.gz BOQCTSIHQCOUQT-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000465556786 502306570 /nfs/dbraw/zinc/30/65/70/502306570.db2.gz BOQCTSIHQCOUQT-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000465556786 502306572 /nfs/dbraw/zinc/30/65/72/502306572.db2.gz BOQCTSIHQCOUQT-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563011 502308111 /nfs/dbraw/zinc/30/81/11/502308111.db2.gz FKDGWVPIXKQMRA-AZUAARDMSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465570639 502311626 /nfs/dbraw/zinc/31/16/26/502311626.db2.gz MWPYGAKCEZCZFW-DBXWQHBBSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000465570639 502311634 /nfs/dbraw/zinc/31/16/34/502311634.db2.gz MWPYGAKCEZCZFW-DBXWQHBBSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000465570639 502311642 /nfs/dbraw/zinc/31/16/42/502311642.db2.gz MWPYGAKCEZCZFW-DBXWQHBBSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000479641223 502328165 /nfs/dbraw/zinc/32/81/65/502328165.db2.gz NKGUUQWPSZXMQO-WIYYLYMNSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000479641223 502328172 /nfs/dbraw/zinc/32/81/72/502328172.db2.gz NKGUUQWPSZXMQO-WIYYLYMNSA-N 2 1 355.526 3.156 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465623897 502329205 /nfs/dbraw/zinc/32/92/05/502329205.db2.gz GMPXEPUMUOKFOB-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363875 502330587 /nfs/dbraw/zinc/33/05/87/502330587.db2.gz ABDZKJPPMMSGIK-YLJYHZDGSA-N 2 1 356.466 3.238 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376857 502334782 /nfs/dbraw/zinc/33/47/82/502334782.db2.gz ZINOPDNGIJZRQN-FPOVZHCZSA-N 2 1 363.509 3.438 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686980 506307241 /nfs/dbraw/zinc/30/72/41/506307241.db2.gz JJHJCZQZQIKJPA-IFMALSPDSA-N 2 1 356.510 3.475 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686980 506307250 /nfs/dbraw/zinc/30/72/50/506307250.db2.gz JJHJCZQZQIKJPA-IFMALSPDSA-N 2 1 356.510 3.475 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735952 502363967 /nfs/dbraw/zinc/36/39/67/502363967.db2.gz BXYQLILTSRLNSW-OAQYLSRUSA-N 2 1 374.573 3.368 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465758089 502373568 /nfs/dbraw/zinc/37/35/68/502373568.db2.gz PDUIBSBLLFKXDL-HLAWJBBLSA-N 2 1 372.557 3.338 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487261683 502403964 /nfs/dbraw/zinc/40/39/64/502403964.db2.gz BYHDJNBWGVWTQK-ROUUACIJSA-N 2 1 352.906 3.206 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000476190483 502408538 /nfs/dbraw/zinc/40/85/38/502408538.db2.gz MBIDMCYSDCHJBN-SJORKVTESA-N 2 1 358.530 3.019 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000465906564 502423463 /nfs/dbraw/zinc/42/34/63/502423463.db2.gz YIPTUHOAGNBSNE-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479936866 502423951 /nfs/dbraw/zinc/42/39/51/502423951.db2.gz AUYPIQSZYDAXNI-KDURUIRLSA-N 2 1 358.489 3.499 20 0 FGADMP Cc1ccccc1-c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479936866 502423954 /nfs/dbraw/zinc/42/39/54/502423954.db2.gz AUYPIQSZYDAXNI-KDURUIRLSA-N 2 1 358.489 3.499 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000483538068 502425147 /nfs/dbraw/zinc/42/51/47/502425147.db2.gz LHOJOVFUJMJGCQ-UWVAXJGDSA-N 2 1 352.494 3.320 20 0 FGADMP O=C(Nc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000479966876 502432756 /nfs/dbraw/zinc/43/27/56/502432756.db2.gz RPWNLBYGRGIPQP-CALCHBBNSA-N 2 1 355.869 3.244 20 0 FGADMP O=C(Nc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccc(Cl)cc1 ZINC000479966876 502432760 /nfs/dbraw/zinc/43/27/60/502432760.db2.gz RPWNLBYGRGIPQP-CALCHBBNSA-N 2 1 355.869 3.244 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000487408316 502436335 /nfs/dbraw/zinc/43/63/35/502436335.db2.gz BUBHHSLKUHVXBH-XUVXKRRUSA-N 2 1 361.505 3.169 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000487408316 502436338 /nfs/dbraw/zinc/43/63/38/502436338.db2.gz BUBHHSLKUHVXBH-XUVXKRRUSA-N 2 1 361.505 3.169 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000483646084 502452070 /nfs/dbraw/zinc/45/20/70/502452070.db2.gz RYPCTYNYKJFVKG-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000483676510 502459905 /nfs/dbraw/zinc/45/99/05/502459905.db2.gz CNEUPWNUEFMQHR-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483676510 502459909 /nfs/dbraw/zinc/45/99/09/502459909.db2.gz CNEUPWNUEFMQHR-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483676510 502459913 /nfs/dbraw/zinc/45/99/13/502459913.db2.gz CNEUPWNUEFMQHR-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000466041101 502463986 /nfs/dbraw/zinc/46/39/86/502463986.db2.gz WCLCCOBXBDDQDV-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466041101 502463991 /nfs/dbraw/zinc/46/39/91/502463991.db2.gz WCLCCOBXBDDQDV-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466041101 502463995 /nfs/dbraw/zinc/46/39/95/502463995.db2.gz WCLCCOBXBDDQDV-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC000483712171 502472074 /nfs/dbraw/zinc/47/20/74/502472074.db2.gz MFDRSXJFFRRHHC-WDSOQIARSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462527417 502475948 /nfs/dbraw/zinc/47/59/48/502475948.db2.gz RKNIZDIFIGXRKI-SBHAEUEKSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462527417 502475951 /nfs/dbraw/zinc/47/59/51/502475951.db2.gz RKNIZDIFIGXRKI-SBHAEUEKSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462527417 502475954 /nfs/dbraw/zinc/47/59/54/502475954.db2.gz RKNIZDIFIGXRKI-SBHAEUEKSA-N 2 1 374.573 3.410 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000483754000 502483554 /nfs/dbraw/zinc/48/35/54/502483554.db2.gz ARCUQQFDBSTHQS-YRXWBPOGSA-N 2 1 366.594 3.257 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000480147609 502483607 /nfs/dbraw/zinc/48/36/07/502483607.db2.gz QUXULYHOIYCHOG-RBUKOAKNSA-N 2 1 358.530 3.153 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483753999 502483846 /nfs/dbraw/zinc/48/38/46/502483846.db2.gz ARCUQQFDBSTHQS-RDGPPVDQSA-N 2 1 366.594 3.257 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483753999 502483852 /nfs/dbraw/zinc/48/38/52/502483852.db2.gz ARCUQQFDBSTHQS-RDGPPVDQSA-N 2 1 366.594 3.257 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@@H]1C ZINC000483753999 502483856 /nfs/dbraw/zinc/48/38/56/502483856.db2.gz ARCUQQFDBSTHQS-RDGPPVDQSA-N 2 1 366.594 3.257 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1C ZINC000483822120 502501262 /nfs/dbraw/zinc/50/12/62/502501262.db2.gz RZFOFXYPPFMIPP-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480259570 502516152 /nfs/dbraw/zinc/51/61/52/502516152.db2.gz OBZFUHRIHYNUMB-MRXNPFEDSA-N 2 1 367.559 3.363 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480259570 502516160 /nfs/dbraw/zinc/51/61/60/502516160.db2.gz OBZFUHRIHYNUMB-MRXNPFEDSA-N 2 1 367.559 3.363 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753391 502532832 /nfs/dbraw/zinc/53/28/32/502532832.db2.gz SNYFCEOLCJUSKG-SJORKVTESA-N 2 1 371.447 3.299 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000476632419 502544942 /nfs/dbraw/zinc/54/49/42/502544942.db2.gz SUTJGEIYDLOUPB-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473289136 502559906 /nfs/dbraw/zinc/55/99/06/502559906.db2.gz AYDKRONYZGNNQB-QGZVFWFLSA-N 2 1 357.523 3.062 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466421343 502566716 /nfs/dbraw/zinc/56/67/16/502566716.db2.gz DGIDSIDAPKSWMG-FPOVZHCZSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000487922692 502568440 /nfs/dbraw/zinc/56/84/40/502568440.db2.gz XKQFXHNMPRLKEG-FPOVZHCZSA-N 2 1 357.542 3.404 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000469867127 502574335 /nfs/dbraw/zinc/57/43/35/502574335.db2.gz TWMVJONRTAKKJY-UHFFFAOYSA-N 2 1 373.335 3.281 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000469867127 502574343 /nfs/dbraw/zinc/57/43/43/502574343.db2.gz TWMVJONRTAKKJY-UHFFFAOYSA-N 2 1 373.335 3.281 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484128135 502576784 /nfs/dbraw/zinc/57/67/84/502576784.db2.gz INHCWOBDOLMSGY-XMSQKQJNSA-N 2 1 354.494 3.373 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484128135 502576788 /nfs/dbraw/zinc/57/67/88/502576788.db2.gz INHCWOBDOLMSGY-XMSQKQJNSA-N 2 1 354.494 3.373 20 0 FGADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]13)CCCC2 ZINC000462814516 502585806 /nfs/dbraw/zinc/58/58/06/502585806.db2.gz FYZHSFPACROZDM-HLAWJBBLSA-N 2 1 364.537 3.299 20 0 FGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171857 502592858 /nfs/dbraw/zinc/59/28/58/502592858.db2.gz ZFELVUOIIMTVEE-FCHUYYIVSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171857 502592862 /nfs/dbraw/zinc/59/28/62/502592862.db2.gz ZFELVUOIIMTVEE-FCHUYYIVSA-N 2 1 354.494 3.373 20 0 FGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cc1 ZINC000470002811 502626740 /nfs/dbraw/zinc/62/67/40/502626740.db2.gz LYOVLLBOMJNQGR-QGZVFWFLSA-N 2 1 357.523 3.010 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CS1 ZINC000488408808 502706980 /nfs/dbraw/zinc/70/69/80/502706980.db2.gz ICQYENLIFLFXMP-MUGJNUQGSA-N 2 1 362.583 3.379 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CS1 ZINC000488408808 502706983 /nfs/dbraw/zinc/70/69/83/502706983.db2.gz ICQYENLIFLFXMP-MUGJNUQGSA-N 2 1 362.583 3.379 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466878352 502711720 /nfs/dbraw/zinc/71/17/20/502711720.db2.gz RWKMMTOELZVVFY-LJQANCHMSA-N 2 1 374.573 3.102 20 0 FGADMP CN(C(=O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000463190606 502716723 /nfs/dbraw/zinc/71/67/23/502716723.db2.gz JJEFVVKVEGCWNX-UHFFFAOYSA-N 2 1 357.542 3.074 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000488470840 502724538 /nfs/dbraw/zinc/72/45/38/502724538.db2.gz WPJBNPQAOBERRS-QHAWAJNXSA-N 2 1 369.553 3.183 20 0 FGADMP C[C@H](Cn1cccn1)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000470310750 502732393 /nfs/dbraw/zinc/73/23/93/502732393.db2.gz WIOCMFSNOVNSOX-HSALFYBXSA-N 2 1 370.541 3.071 20 0 FGADMP Clc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484774106 502736832 /nfs/dbraw/zinc/73/68/32/502736832.db2.gz DWOARTXIDYKFMW-OTWHNJEPSA-N 2 1 352.906 3.246 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000470362755 502750533 /nfs/dbraw/zinc/75/05/33/502750533.db2.gz OXAYGQJUZWGOCX-UHFFFAOYSA-N 2 1 363.505 3.274 20 0 FGADMP Cc1cc([C@H]2CCC[N@H+]2CCOCC[NH+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000488587855 502759263 /nfs/dbraw/zinc/75/92/63/502759263.db2.gz RAQSZSXQISAQML-HDICACEKSA-N 2 1 374.485 3.270 20 0 FGADMP Cc1cc([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000488587855 502759268 /nfs/dbraw/zinc/75/92/68/502759268.db2.gz RAQSZSXQISAQML-HDICACEKSA-N 2 1 374.485 3.270 20 0 FGADMP Cc1cc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000488587855 502759273 /nfs/dbraw/zinc/75/92/73/502759273.db2.gz RAQSZSXQISAQML-HDICACEKSA-N 2 1 374.485 3.270 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918749 502776445 /nfs/dbraw/zinc/77/64/45/502776445.db2.gz IRBYNWXBBAXHOU-SLYNCCJLSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918749 502776449 /nfs/dbraw/zinc/77/64/49/502776449.db2.gz IRBYNWXBBAXHOU-SLYNCCJLSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918749 502776456 /nfs/dbraw/zinc/77/64/56/502776456.db2.gz IRBYNWXBBAXHOU-SLYNCCJLSA-N 2 1 357.542 3.375 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919388 502777529 /nfs/dbraw/zinc/77/75/29/502777529.db2.gz LFKMOFCZRQEGQP-GDBMZVCRSA-N 2 1 368.905 3.310 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919388 502777536 /nfs/dbraw/zinc/77/75/36/502777536.db2.gz LFKMOFCZRQEGQP-GDBMZVCRSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919388 502777541 /nfs/dbraw/zinc/77/75/41/502777541.db2.gz LFKMOFCZRQEGQP-GDBMZVCRSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919388 502777547 /nfs/dbraw/zinc/77/75/47/502777547.db2.gz LFKMOFCZRQEGQP-GDBMZVCRSA-N 2 1 368.905 3.310 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467075858 502779744 /nfs/dbraw/zinc/77/97/44/502779744.db2.gz QJNXUCZZXJOESV-INIZCTEOSA-N 2 1 368.319 3.324 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467075858 502779748 /nfs/dbraw/zinc/77/97/48/502779748.db2.gz QJNXUCZZXJOESV-INIZCTEOSA-N 2 1 368.319 3.324 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474019721 502781579 /nfs/dbraw/zinc/78/15/79/502781579.db2.gz XASHFDDACFODDB-WIYYLYMNSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474019721 502781580 /nfs/dbraw/zinc/78/15/80/502781580.db2.gz XASHFDDACFODDB-WIYYLYMNSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474019721 502781582 /nfs/dbraw/zinc/78/15/82/502781582.db2.gz XASHFDDACFODDB-WIYYLYMNSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965072 502788783 /nfs/dbraw/zinc/78/87/83/502788783.db2.gz UUCTXKVXWWKQJL-XWFZLUIHSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965072 502788791 /nfs/dbraw/zinc/78/87/91/502788791.db2.gz UUCTXKVXWWKQJL-XWFZLUIHSA-N 2 1 369.484 3.043 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NCCC[N@H+]1CCc2ccccc2C1)C(C)C ZINC000470489210 502793348 /nfs/dbraw/zinc/79/33/48/502793348.db2.gz DSVDDDBLVWQUBK-UHFFFAOYSA-N 2 1 374.573 3.243 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000500858673 502879755 /nfs/dbraw/zinc/87/97/55/502879755.db2.gz KPMSSQHLCCKEEK-LJQANCHMSA-N 2 1 352.567 3.206 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859614 502880090 /nfs/dbraw/zinc/88/00/90/502880090.db2.gz BCEJPPICCSLSHU-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500859614 502880092 /nfs/dbraw/zinc/88/00/92/502880092.db2.gz BCEJPPICCSLSHU-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500859614 502880094 /nfs/dbraw/zinc/88/00/94/502880094.db2.gz BCEJPPICCSLSHU-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000500869282 502882170 /nfs/dbraw/zinc/88/21/70/502882170.db2.gz QRPXWOOZIKOOPB-HXUWFJFHSA-N 2 1 360.546 3.072 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000500869282 502882172 /nfs/dbraw/zinc/88/21/72/502882172.db2.gz QRPXWOOZIKOOPB-HXUWFJFHSA-N 2 1 360.546 3.072 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000500869282 502882176 /nfs/dbraw/zinc/88/21/76/502882176.db2.gz QRPXWOOZIKOOPB-HXUWFJFHSA-N 2 1 360.546 3.072 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCOc4ccc(F)cc4C3)c2cc1C ZINC000489184700 502896377 /nfs/dbraw/zinc/89/63/77/502896377.db2.gz FYPKUXNISAODOQ-SFHVURJKSA-N 2 1 369.440 3.048 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000501043680 502920887 /nfs/dbraw/zinc/92/08/87/502920887.db2.gz DIXKDLDZIOHIPO-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000501043680 502920890 /nfs/dbraw/zinc/92/08/90/502920890.db2.gz DIXKDLDZIOHIPO-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000501043680 502920893 /nfs/dbraw/zinc/92/08/93/502920893.db2.gz DIXKDLDZIOHIPO-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP Cc1cc(C(C)(C)C)cc(C)c1C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000501054127 502923303 /nfs/dbraw/zinc/92/33/03/502923303.db2.gz UBRCFZZREINTOG-UHFFFAOYSA-N 2 1 374.569 3.260 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501069426 502926831 /nfs/dbraw/zinc/92/68/31/502926831.db2.gz PJNCQKFATKEVCZ-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP [NH3+][C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330719 502932756 /nfs/dbraw/zinc/93/27/56/502932756.db2.gz CNJQCZDAUPJECD-GGAORHGYSA-N 2 1 363.505 3.201 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161798 502951825 /nfs/dbraw/zinc/95/18/25/502951825.db2.gz GNSYWPOGJTXGSL-FUHWJXTLSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513493713 502952059 /nfs/dbraw/zinc/95/20/59/502952059.db2.gz CGLMILIYUXBSGB-PXNSSMCTSA-N 2 1 351.494 3.176 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513510941 502955969 /nfs/dbraw/zinc/95/59/69/502955969.db2.gz GRGNBZWIXGDAPU-WIYYLYMNSA-N 2 1 365.521 3.437 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961440 /nfs/dbraw/zinc/96/14/40/502961440.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961445 /nfs/dbraw/zinc/96/14/45/502961445.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961452 /nfs/dbraw/zinc/96/14/52/502961452.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 2 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961457 /nfs/dbraw/zinc/96/14/57/502961457.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 3 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664764 502961462 /nfs/dbraw/zinc/96/14/62/502961462.db2.gz IJWQSSICOSAUFO-IFMALSPDSA-N 3 1 358.574 3.003 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000489535968 502980592 /nfs/dbraw/zinc/98/05/92/502980592.db2.gz IHUJCSAPCDCFLV-QZTJIDSGSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000582649146 506345616 /nfs/dbraw/zinc/34/56/16/506345616.db2.gz LZSJRSWUICRABX-YWTNHNAXSA-N 2 1 367.497 3.193 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383868 502997709 /nfs/dbraw/zinc/99/77/09/502997709.db2.gz AOUAJAXSVQRTQO-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000497614874 503000756 /nfs/dbraw/zinc/00/07/56/503000756.db2.gz BFPCHWPOMHLKFI-QFIPXVFZSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513707236 503005047 /nfs/dbraw/zinc/00/50/47/503005047.db2.gz ANVNJBHVIWCSMC-HSALFYBXSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499002 503021708 /nfs/dbraw/zinc/02/17/08/503021708.db2.gz BSHMRJKPZWHYMX-SVFBPWRDSA-N 2 1 372.557 3.243 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000510025143 503032028 /nfs/dbraw/zinc/03/20/28/503032028.db2.gz YZQMMHVQPSEJSS-UHFFFAOYSA-N 2 1 365.268 3.259 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489810469 503041222 /nfs/dbraw/zinc/04/12/22/503041222.db2.gz XCVAUIKKKBPMIT-WLRLJWMZSA-N 2 1 372.557 3.069 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000501581520 503043994 /nfs/dbraw/zinc/04/39/94/503043994.db2.gz QBDIMKDRULJGHF-OAQYLSRUSA-N 2 1 374.573 3.113 20 0 FGADMP CCOc1ccc(-c2noc(C[N@H+](CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000489905469 503062032 /nfs/dbraw/zinc/06/20/32/503062032.db2.gz GPZWPRNSZANOCU-UHFFFAOYSA-N 2 1 358.486 3.476 20 0 FGADMP CCOc1ccc(-c2noc(C[N@@H+](CCC[NH3+])CC3CCCC3)n2)cc1 ZINC000489905469 503062039 /nfs/dbraw/zinc/06/20/39/503062039.db2.gz GPZWPRNSZANOCU-UHFFFAOYSA-N 2 1 358.486 3.476 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000501758711 503073449 /nfs/dbraw/zinc/07/34/49/503073449.db2.gz LAWVGZVKYATZNK-KDURUIRLSA-N 2 1 366.594 3.118 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965936 503076754 /nfs/dbraw/zinc/07/67/54/503076754.db2.gz WHNHRTVTZRHJKH-AGRFSFNASA-N 2 1 357.542 3.275 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293705 503087049 /nfs/dbraw/zinc/08/70/49/503087049.db2.gz AKXBCWFZCURNGK-QZTJIDSGSA-N 2 1 351.922 3.323 20 0 FGADMP COc1cccc(Cl)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000514106809 503089787 /nfs/dbraw/zinc/08/97/87/503089787.db2.gz BRPNCIVMWSMPIO-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000514142834 503097709 /nfs/dbraw/zinc/09/77/09/503097709.db2.gz XDQSYFBTLIRNPQ-FGTMMUONSA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000514142834 503097713 /nfs/dbraw/zinc/09/77/13/503097713.db2.gz XDQSYFBTLIRNPQ-FGTMMUONSA-N 2 1 374.516 3.402 20 0 FGADMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498074468 503101353 /nfs/dbraw/zinc/10/13/53/503101353.db2.gz UDMNNHDXYNILFA-XIRDDKMYSA-N 2 1 371.447 3.332 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186400 503108194 /nfs/dbraw/zinc/10/81/94/503108194.db2.gz JMKFPPMYGZBBOK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000514186400 503108199 /nfs/dbraw/zinc/10/81/99/503108199.db2.gz JMKFPPMYGZBBOK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000514186400 503108202 /nfs/dbraw/zinc/10/82/02/503108202.db2.gz JMKFPPMYGZBBOK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116335 503111984 /nfs/dbraw/zinc/11/19/84/503111984.db2.gz DJRNHYAGPGVKDB-WOJBJXKFSA-N 2 1 357.473 3.238 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490167194 503120955 /nfs/dbraw/zinc/12/09/55/503120955.db2.gz GWVCZDAJVUUSNC-WIYYLYMNSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1[nH+]ccc(N2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000502012903 503126662 /nfs/dbraw/zinc/12/66/62/503126662.db2.gz FYLJWPPBKCQLOC-GASCZTMLSA-N 2 1 367.921 3.138 20 0 FGADMP Cc1[nH+]ccc(N2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000502012903 503126665 /nfs/dbraw/zinc/12/66/65/503126665.db2.gz FYLJWPPBKCQLOC-GASCZTMLSA-N 2 1 367.921 3.138 20 0 FGADMP C[C@@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510514550 503129901 /nfs/dbraw/zinc/12/99/01/503129901.db2.gz UYWXBPXXQLNUQH-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527366 503134296 /nfs/dbraw/zinc/13/42/96/503134296.db2.gz XHSDUSHLUXOBCH-GCJKJVERSA-N 2 1 353.510 3.234 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527366 503134298 /nfs/dbraw/zinc/13/42/98/503134298.db2.gz XHSDUSHLUXOBCH-GCJKJVERSA-N 2 1 353.510 3.234 20 0 FGADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000514735424 503180093 /nfs/dbraw/zinc/18/00/93/503180093.db2.gz DCQAKKLCKLQVJA-NRFANRHFSA-N 2 1 364.493 3.071 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506828176 503180214 /nfs/dbraw/zinc/18/02/14/503180214.db2.gz SOJPPXDAIAUVEZ-VAMGGRTRSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506828176 503180218 /nfs/dbraw/zinc/18/02/18/503180218.db2.gz SOJPPXDAIAUVEZ-VAMGGRTRSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506828176 503180220 /nfs/dbraw/zinc/18/02/20/503180220.db2.gz SOJPPXDAIAUVEZ-VAMGGRTRSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696861 503241171 /nfs/dbraw/zinc/24/11/71/503241171.db2.gz SRTSMMFWQTVMIH-FPOVZHCZSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000511088136 503251262 /nfs/dbraw/zinc/25/12/62/503251262.db2.gz AVADUXUXORWPKV-MRXNPFEDSA-N 2 1 365.477 3.447 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000491025590 503262189 /nfs/dbraw/zinc/26/21/89/503262189.db2.gz WEVIOIDAKGNOSA-UHFFFAOYSA-N 2 1 374.573 3.450 20 0 FGADMP O=C(C[NH+]1C2CCC1CC2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000515121253 503275285 /nfs/dbraw/zinc/27/52/85/503275285.db2.gz CGUPLYFJUODABF-UHFFFAOYSA-N 2 1 363.505 3.111 20 0 FGADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1(C(=O)OC)CCC1 ZINC000498923616 503295647 /nfs/dbraw/zinc/29/56/47/503295647.db2.gz KKLGXMUEHNUCOB-SFHVURJKSA-N 2 1 366.546 3.122 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000502911206 503305345 /nfs/dbraw/zinc/30/53/45/503305345.db2.gz GCGBXBWOKKGJBP-RTBURBONSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000502911206 503305348 /nfs/dbraw/zinc/30/53/48/503305348.db2.gz GCGBXBWOKKGJBP-RTBURBONSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000515291605 503308242 /nfs/dbraw/zinc/30/82/42/503308242.db2.gz BTSRQJDUZHOBOD-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507518569 503313420 /nfs/dbraw/zinc/31/34/20/503313420.db2.gz DKQGNIRUWYDNNR-YPIGPJMWSA-N 2 1 368.496 3.229 20 0 FGADMP CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000499015227 503315288 /nfs/dbraw/zinc/31/52/88/503315288.db2.gz GAZMKKCQIHDLAV-KRWDZBQOSA-N 2 1 361.555 3.296 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511412570 503316685 /nfs/dbraw/zinc/31/66/85/503316685.db2.gz DJUUFANDTLQGCK-AZUAARDMSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511412570 503316688 /nfs/dbraw/zinc/31/66/88/503316688.db2.gz DJUUFANDTLQGCK-AZUAARDMSA-N 2 1 374.573 3.317 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H](C)C[NH+](C)C)c2)cc1 ZINC000491560395 503318754 /nfs/dbraw/zinc/31/87/54/503318754.db2.gz OWMNBNLWGVKFAD-INIZCTEOSA-N 2 1 355.482 3.235 20 0 FGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652597 506512580 /nfs/dbraw/zinc/51/25/80/506512580.db2.gz VJINYSFSAIYDTI-RKDXNWHRSA-N 2 1 352.647 3.160 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238532 503375061 /nfs/dbraw/zinc/37/50/61/503375061.db2.gz ZMPDCEKPJIRLFU-HBFSDRIKSA-N 2 1 363.933 3.466 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238532 503375062 /nfs/dbraw/zinc/37/50/62/503375062.db2.gz ZMPDCEKPJIRLFU-HBFSDRIKSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238532 503375065 /nfs/dbraw/zinc/37/50/65/503375065.db2.gz ZMPDCEKPJIRLFU-HBFSDRIKSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238532 503375067 /nfs/dbraw/zinc/37/50/67/503375067.db2.gz ZMPDCEKPJIRLFU-HBFSDRIKSA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)CC1 ZINC000507958113 503404248 /nfs/dbraw/zinc/40/42/48/503404248.db2.gz VCSUZIXYEAGLMG-CEXWTWQISA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922962 503420628 /nfs/dbraw/zinc/42/06/28/503420628.db2.gz VTVXCVOCUCUYLJ-DOTOQJQBSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922962 503420633 /nfs/dbraw/zinc/42/06/33/503420633.db2.gz VTVXCVOCUCUYLJ-DOTOQJQBSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922962 503420636 /nfs/dbraw/zinc/42/06/36/503420636.db2.gz VTVXCVOCUCUYLJ-DOTOQJQBSA-N 2 1 358.404 3.081 20 0 FGADMP COc1ccc(C[C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000512011468 503434382 /nfs/dbraw/zinc/43/43/82/503434382.db2.gz WATBRRGOYDOOES-CQSZACIVSA-N 2 1 363.527 3.190 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512050837 503444032 /nfs/dbraw/zinc/44/40/32/503444032.db2.gz DRSYCKLMXMLVKZ-NIQNNRAYSA-N 2 1 372.459 3.451 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512050837 503444035 /nfs/dbraw/zinc/44/40/35/503444035.db2.gz DRSYCKLMXMLVKZ-NIQNNRAYSA-N 2 1 372.459 3.451 20 0 FGADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000512116144 503461690 /nfs/dbraw/zinc/46/16/90/503461690.db2.gz MVYPUUFELBDPFO-UHFFFAOYSA-N 2 1 369.538 3.421 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215045 503472549 /nfs/dbraw/zinc/47/25/49/503472549.db2.gz CNAKDDIDJWPGRI-MRXNPFEDSA-N 2 1 373.463 3.275 20 0 FGADMP CCCc1csc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1 ZINC000494016533 503475476 /nfs/dbraw/zinc/47/54/76/503475476.db2.gz IWWPNWJSRQTXLM-UHFFFAOYSA-N 2 1 359.539 3.342 20 0 FGADMP CC1(C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000516238246 503477900 /nfs/dbraw/zinc/47/79/00/503477900.db2.gz DTRVOIMKSPJHPU-GOSISDBHSA-N 2 1 363.933 3.325 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000516238246 503477903 /nfs/dbraw/zinc/47/79/03/503477903.db2.gz DTRVOIMKSPJHPU-GOSISDBHSA-N 2 1 363.933 3.325 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000494087765 503486134 /nfs/dbraw/zinc/48/61/34/503486134.db2.gz HSRNCEKLIHVQDF-OAQYLSRUSA-N 2 1 364.493 3.019 20 0 FGADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000504180029 503535903 /nfs/dbraw/zinc/53/59/03/503535903.db2.gz FHEWRQXTIBVZTG-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000504180029 503535904 /nfs/dbraw/zinc/53/59/04/503535904.db2.gz FHEWRQXTIBVZTG-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560118 503536532 /nfs/dbraw/zinc/53/65/32/503536532.db2.gz GYPDXUFQNLYJPZ-KAGYGMCKSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560118 503536535 /nfs/dbraw/zinc/53/65/35/503536535.db2.gz GYPDXUFQNLYJPZ-KAGYGMCKSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000516568766 503538837 /nfs/dbraw/zinc/53/88/37/503538837.db2.gz XXFCVEYFJGIFQR-ZIAGYGMSSA-N 2 1 371.447 3.112 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516683459 503568074 /nfs/dbraw/zinc/56/80/74/503568074.db2.gz JHDCUKZYSAIJLO-GUDVDZBRSA-N 2 1 366.594 3.115 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880851 503587254 /nfs/dbraw/zinc/58/72/54/503587254.db2.gz XGCKPQWKWSELBB-IFMALSPDSA-N 2 1 358.526 3.408 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880851 503587256 /nfs/dbraw/zinc/58/72/56/503587256.db2.gz XGCKPQWKWSELBB-IFMALSPDSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880851 503587258 /nfs/dbraw/zinc/58/72/58/503587258.db2.gz XGCKPQWKWSELBB-IFMALSPDSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880851 503587261 /nfs/dbraw/zinc/58/72/61/503587261.db2.gz XGCKPQWKWSELBB-IFMALSPDSA-N 2 1 358.526 3.408 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000508895914 503592374 /nfs/dbraw/zinc/59/23/74/503592374.db2.gz MAZKXRWLLDXFJE-LXZJYRNTSA-N 2 1 360.546 3.110 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000516826857 503594539 /nfs/dbraw/zinc/59/45/39/503594539.db2.gz RSPSLLYHFVFOFT-NQIIRXRSSA-N 2 1 369.509 3.250 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000516826857 503594542 /nfs/dbraw/zinc/59/45/42/503594542.db2.gz RSPSLLYHFVFOFT-NQIIRXRSSA-N 2 1 369.509 3.250 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627105 503598361 /nfs/dbraw/zinc/59/83/61/503598361.db2.gz ZYZGYGBMCSTVBA-PWRODBHTSA-N 2 1 350.510 3.384 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000512646815 503602147 /nfs/dbraw/zinc/60/21/47/503602147.db2.gz DIYVRGYLVQLGEB-NJDAHSKKSA-N 2 1 351.494 3.481 20 0 FGADMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)Cc2nc3ccc(F)cc3o2)CCCN1C ZINC000500408248 503616461 /nfs/dbraw/zinc/61/64/61/503616461.db2.gz WLQLYDGTRLLLDL-VBKZILBWSA-N 2 1 371.460 3.215 20 0 FGADMP CN(Cc1nc2ccc(F)cc2o1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000500408248 503616463 /nfs/dbraw/zinc/61/64/63/503616463.db2.gz WLQLYDGTRLLLDL-VBKZILBWSA-N 2 1 371.460 3.215 20 0 FGADMP Cc1cc(C)cc(CCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000532913651 503654928 /nfs/dbraw/zinc/65/49/28/503654928.db2.gz SYTUJTUANJUHOC-UHFFFAOYSA-N 2 1 352.482 3.022 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659354 503664792 /nfs/dbraw/zinc/66/47/92/503664792.db2.gz YACMIPXDXYHNKR-MAUKXSAKSA-N 2 1 370.497 3.153 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659354 503664798 /nfs/dbraw/zinc/66/47/98/503664798.db2.gz YACMIPXDXYHNKR-MAUKXSAKSA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659354 503664803 /nfs/dbraw/zinc/66/48/03/503664803.db2.gz YACMIPXDXYHNKR-MAUKXSAKSA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659354 503664809 /nfs/dbraw/zinc/66/48/09/503664809.db2.gz YACMIPXDXYHNKR-MAUKXSAKSA-N 2 1 370.497 3.153 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659219 503665106 /nfs/dbraw/zinc/66/51/06/503665106.db2.gz ORUBFQGXPCKZQJ-SJLPKXTDSA-N 2 1 350.503 3.025 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659219 503665110 /nfs/dbraw/zinc/66/51/10/503665110.db2.gz ORUBFQGXPCKZQJ-SJLPKXTDSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659219 503665115 /nfs/dbraw/zinc/66/51/15/503665115.db2.gz ORUBFQGXPCKZQJ-SJLPKXTDSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659219 503665120 /nfs/dbraw/zinc/66/51/20/503665120.db2.gz ORUBFQGXPCKZQJ-SJLPKXTDSA-N 2 1 350.503 3.025 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529721967 503681273 /nfs/dbraw/zinc/68/12/73/503681273.db2.gz FKXWEKPGAHZYMI-HXUWFJFHSA-N 2 1 370.541 3.130 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000536710816 503691180 /nfs/dbraw/zinc/69/11/80/503691180.db2.gz SBHLWLDTGZEBMV-UHFFFAOYSA-N 2 1 364.921 3.311 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000536845918 503738164 /nfs/dbraw/zinc/73/81/64/503738164.db2.gz NGVFMQGZKOSZFR-GWFLUQINSA-N 2 1 364.534 3.131 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000517411254 503739357 /nfs/dbraw/zinc/73/93/57/503739357.db2.gz YKKCVFOBPNJZPG-HDICACEKSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000517411254 503739361 /nfs/dbraw/zinc/73/93/61/503739361.db2.gz YKKCVFOBPNJZPG-HDICACEKSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000517411254 503739367 /nfs/dbraw/zinc/73/93/67/503739367.db2.gz YKKCVFOBPNJZPG-HDICACEKSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000543382284 503746158 /nfs/dbraw/zinc/74/61/58/503746158.db2.gz ZLPBCKNKJRHDDI-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000546566095 503790807 /nfs/dbraw/zinc/79/08/07/503790807.db2.gz JXIUJSMGACBKAE-OAQYLSRUSA-N 2 1 370.541 3.083 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CCC[NH+](C)C)c2c1C ZINC000537191317 503834670 /nfs/dbraw/zinc/83/46/70/503834670.db2.gz BFFZMFIMFCAYFH-UHFFFAOYSA-N 2 1 361.559 3.292 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3ccsc3Br)CC2)CC1 ZINC000527649415 503875048 /nfs/dbraw/zinc/87/50/48/503875048.db2.gz GPXXRAJHJDLXOQ-UHFFFAOYSA-N 2 1 372.376 3.159 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539584 503882304 /nfs/dbraw/zinc/88/23/04/503882304.db2.gz INLQUBAOVUUBLJ-NEWSRXKRSA-N 2 1 352.906 3.292 20 0 FGADMP Fc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000530240813 503889812 /nfs/dbraw/zinc/88/98/12/503889812.db2.gz ODPXTTZILQOBND-HNNXBMFYSA-N 2 1 371.294 3.179 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[NH+](C)C ZINC000518027062 503893365 /nfs/dbraw/zinc/89/33/65/503893365.db2.gz ZPWDCKSHCADPFT-NRFANRHFSA-N 2 1 353.510 3.070 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000533622304 503903932 /nfs/dbraw/zinc/90/39/32/503903932.db2.gz KLBYNOXWNVPICW-LJQANCHMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000518083359 503904730 /nfs/dbraw/zinc/90/47/30/503904730.db2.gz ZDTZIYKRUCUKDE-KDURUIRLSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527711774 503907595 /nfs/dbraw/zinc/90/75/95/503907595.db2.gz OHHDYRZMKOJWRO-LJQANCHMSA-N 2 1 363.933 3.293 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527711774 503907599 /nfs/dbraw/zinc/90/75/99/503907599.db2.gz OHHDYRZMKOJWRO-LJQANCHMSA-N 2 1 363.933 3.293 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@]12CCCO2 ZINC000546870283 503909521 /nfs/dbraw/zinc/90/95/21/503909521.db2.gz FGYGTLRJLRUQMZ-FHJOOOADSA-N 2 1 370.537 3.213 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518167934 503919248 /nfs/dbraw/zinc/91/92/48/503919248.db2.gz RIFWSSNVPVVFJH-PBHICJAKSA-N 2 1 367.896 3.107 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540903811 503931484 /nfs/dbraw/zinc/93/14/84/503931484.db2.gz UUZJYNOCZRMIHF-RXVVDRJESA-N 2 1 365.525 3.077 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540903811 503931489 /nfs/dbraw/zinc/93/14/89/503931489.db2.gz UUZJYNOCZRMIHF-RXVVDRJESA-N 2 1 365.525 3.077 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000518271002 503940988 /nfs/dbraw/zinc/94/09/88/503940988.db2.gz ZCQPLXDXDVAXFE-XYJFISCASA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000518271002 503940996 /nfs/dbraw/zinc/94/09/96/503940996.db2.gz ZCQPLXDXDVAXFE-XYJFISCASA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000518271002 503941000 /nfs/dbraw/zinc/94/10/00/503941000.db2.gz ZCQPLXDXDVAXFE-XYJFISCASA-N 2 1 366.575 3.159 20 0 FGADMP COc1cc(C)nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000533835962 503965371 /nfs/dbraw/zinc/96/53/71/503965371.db2.gz YGXRUWOVYSRGMT-HDICACEKSA-N 2 1 361.530 3.110 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527858321 503974675 /nfs/dbraw/zinc/97/46/75/503974675.db2.gz KBNNVRNUKKNWET-GOSISDBHSA-N 2 1 369.557 3.011 20 0 FGADMP CC(C)(C)[NH2+]CCNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000533866565 503976759 /nfs/dbraw/zinc/97/67/59/503976759.db2.gz ANJWBYNVBNIDJR-UHFFFAOYSA-N 2 1 353.510 3.193 20 0 FGADMP C[C@@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892833 503987081 /nfs/dbraw/zinc/98/70/81/503987081.db2.gz BJFGOXRAEJBNMR-ZWKOTPCHSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527941169 504007788 /nfs/dbraw/zinc/00/77/88/504007788.db2.gz XVZTULJCXCXLRG-KBAYOESNSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527941169 504007794 /nfs/dbraw/zinc/00/77/94/504007794.db2.gz XVZTULJCXCXLRG-KBAYOESNSA-N 2 1 366.431 3.487 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696401 504008686 /nfs/dbraw/zinc/00/86/86/504008686.db2.gz GHUSFLZBIQQZIJ-NZSAHSFTSA-N 2 1 357.523 3.494 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696401 504008691 /nfs/dbraw/zinc/00/86/91/504008691.db2.gz GHUSFLZBIQQZIJ-NZSAHSFTSA-N 2 1 357.523 3.494 20 0 FGADMP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697868 504009397 /nfs/dbraw/zinc/00/93/97/504009397.db2.gz PGDXGEXOVUWRTE-UYAOXDASSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697868 504009399 /nfs/dbraw/zinc/00/93/99/504009399.db2.gz PGDXGEXOVUWRTE-UYAOXDASSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000537697868 504009403 /nfs/dbraw/zinc/00/94/03/504009403.db2.gz PGDXGEXOVUWRTE-UYAOXDASSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000537697868 504009404 /nfs/dbraw/zinc/00/94/04/504009404.db2.gz PGDXGEXOVUWRTE-UYAOXDASSA-N 2 1 374.525 3.169 20 0 FGADMP COc1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000527991862 504029446 /nfs/dbraw/zinc/02/94/46/504029446.db2.gz XAMBUWSQAIHMBW-WKCHPHFGSA-N 2 1 351.494 3.418 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)CC1 ZINC000528008035 504036678 /nfs/dbraw/zinc/03/66/78/504036678.db2.gz WCQDPTMGQFOKIL-TYCQWZJGSA-N 2 1 355.526 3.446 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769841 504082465 /nfs/dbraw/zinc/08/24/65/504082465.db2.gz WGGWNXCFNZNIAT-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000530769841 504082467 /nfs/dbraw/zinc/08/24/67/504082467.db2.gz WGGWNXCFNZNIAT-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000530769841 504082471 /nfs/dbraw/zinc/08/24/71/504082471.db2.gz WGGWNXCFNZNIAT-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1cccc3ccccc31)CC2 ZINC000541330807 504092503 /nfs/dbraw/zinc/09/25/03/504092503.db2.gz XYVQHSIEZFFQQY-IBGZPJMESA-N 2 1 354.494 3.140 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1cccc3ccccc31)CC2 ZINC000541330807 504092509 /nfs/dbraw/zinc/09/25/09/504092509.db2.gz XYVQHSIEZFFQQY-IBGZPJMESA-N 2 1 354.494 3.140 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812504 504094466 /nfs/dbraw/zinc/09/44/66/504094466.db2.gz RXBWATHCTLJQKZ-SFTDATJTSA-N 2 1 359.558 3.306 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537965857 504096795 /nfs/dbraw/zinc/09/67/95/504096795.db2.gz HQVJBMZLRIDCRF-UONOGXRCSA-N 2 1 358.877 3.413 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000537962202 504097274 /nfs/dbraw/zinc/09/72/74/504097274.db2.gz PHHHALOCAIHGRG-INIZCTEOSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977241 504101205 /nfs/dbraw/zinc/10/12/05/504101205.db2.gz ZRNKVZPDRKHZBS-MJGOQNOKSA-N 2 1 371.550 3.368 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977241 504101209 /nfs/dbraw/zinc/10/12/09/504101209.db2.gz ZRNKVZPDRKHZBS-MJGOQNOKSA-N 2 1 371.550 3.368 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355481 504101439 /nfs/dbraw/zinc/10/14/39/504101439.db2.gz RYLLTNQPUPRKLI-CTNGQTDRSA-N 2 1 357.473 3.137 20 0 FGADMP CC1(C)CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000544358566 504102961 /nfs/dbraw/zinc/10/29/61/504102961.db2.gz CZPKSCSDGSKEBA-IBGZPJMESA-N 2 1 359.514 3.016 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840628 504103366 /nfs/dbraw/zinc/10/33/66/504103366.db2.gz BHUCVKBVCFMMSE-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]CCCn3cc[nH+]c3C)o2)cc1 ZINC000547522119 504136322 /nfs/dbraw/zinc/13/63/22/504136322.db2.gz FBJLDPLRWNDFDE-UHFFFAOYSA-N 2 1 353.422 3.418 20 0 FGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538128437 504139190 /nfs/dbraw/zinc/13/91/90/504139190.db2.gz OWJZRVKTTZZPCS-IPJJNNNSSA-N 2 1 365.521 3.425 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178079 504159463 /nfs/dbraw/zinc/15/94/63/504159463.db2.gz ZBJPBWGIZONVOO-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C1 ZINC000541536229 504168609 /nfs/dbraw/zinc/16/86/09/504168609.db2.gz GPYWBYKZWWXPTC-FQEVSTJZSA-N 2 1 362.562 3.401 20 0 FGADMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528353757 504184695 /nfs/dbraw/zinc/18/46/95/504184695.db2.gz NANHCCDQEJWHGP-GOSISDBHSA-N 2 1 367.896 3.248 20 0 FGADMP CO[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000528363892 504188903 /nfs/dbraw/zinc/18/89/03/504188903.db2.gz GIMDMAMPXQXNLN-LVCYWYKZSA-N 2 1 363.521 3.004 20 0 FGADMP CO[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000528363892 504188906 /nfs/dbraw/zinc/18/89/06/504188906.db2.gz GIMDMAMPXQXNLN-LVCYWYKZSA-N 2 1 363.521 3.004 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000519311730 504188927 /nfs/dbraw/zinc/18/89/27/504188927.db2.gz NQNJYZFSBGGCQI-IDPBPBMLSA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000519311730 504188934 /nfs/dbraw/zinc/18/89/34/504188934.db2.gz NQNJYZFSBGGCQI-IDPBPBMLSA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@@H](C)C1 ZINC000519311730 504188937 /nfs/dbraw/zinc/18/89/37/504188937.db2.gz NQNJYZFSBGGCQI-IDPBPBMLSA-N 2 1 361.530 3.080 20 0 FGADMP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000544657652 504206599 /nfs/dbraw/zinc/20/65/99/504206599.db2.gz XNBATAXKTBNPBR-UHFFFAOYSA-N 2 1 372.513 3.005 20 0 FGADMP CN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000544657652 504206604 /nfs/dbraw/zinc/20/66/04/504206604.db2.gz XNBATAXKTBNPBR-UHFFFAOYSA-N 2 1 372.513 3.005 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398024 504233682 /nfs/dbraw/zinc/23/36/82/504233682.db2.gz AVKMSFGGGZWCPQ-YADHBBJMSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccccc2)c2cncnc2)C[C@H](C)O1 ZINC000541744141 504240637 /nfs/dbraw/zinc/24/06/37/504240637.db2.gz XFWLPCUSGNJDOG-LVCYWYKZSA-N 2 1 354.498 3.045 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000531318067 504264381 /nfs/dbraw/zinc/26/43/81/504264381.db2.gz GFYFNAOWDHBHLR-SFHVURJKSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(C(=O)c1ccn2c(C)cnc2c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519601305 504269307 /nfs/dbraw/zinc/26/93/07/504269307.db2.gz ADDLLPMMRDONBJ-FQEVSTJZSA-N 2 1 362.477 3.379 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600738 504269532 /nfs/dbraw/zinc/26/95/32/504269532.db2.gz PPFMTCCLKOTYNL-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600738 504269534 /nfs/dbraw/zinc/26/95/34/504269534.db2.gz PPFMTCCLKOTYNL-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CCC(C)C)CC2)cs1 ZINC000519637993 504284703 /nfs/dbraw/zinc/28/47/03/504284703.db2.gz LEVZYCZWMIIXFQ-GOSISDBHSA-N 2 1 353.576 3.304 20 0 FGADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000519644077 504286776 /nfs/dbraw/zinc/28/67/76/504286776.db2.gz LPRDBUFQZMJGKS-PXAZEXFGSA-N 2 1 370.324 3.072 20 0 FGADMP Cc1c[nH+]cn1CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000528678943 504327919 /nfs/dbraw/zinc/32/79/19/504327919.db2.gz HNLFWLJTYWOTEG-UHFFFAOYSA-N 2 1 366.509 3.239 20 0 FGADMP Cc1c[nH+]cn1CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000528678943 504327923 /nfs/dbraw/zinc/32/79/23/504327923.db2.gz HNLFWLJTYWOTEG-UHFFFAOYSA-N 2 1 366.509 3.239 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000535083751 504339816 /nfs/dbraw/zinc/33/98/16/504339816.db2.gz ZFPJTWLTKVOBGC-KDURUIRLSA-N 2 1 352.526 3.225 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000535083751 504339819 /nfs/dbraw/zinc/33/98/19/504339819.db2.gz ZFPJTWLTKVOBGC-KDURUIRLSA-N 2 1 352.526 3.225 20 0 FGADMP c1nc([C@@H]2CCCO2)sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000538721534 504343258 /nfs/dbraw/zinc/34/32/58/504343258.db2.gz OULLPIIVHFDYIK-SFHVURJKSA-N 2 1 365.543 3.071 20 0 FGADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000535146422 504355227 /nfs/dbraw/zinc/35/52/27/504355227.db2.gz DFHJIVMKFZLRIA-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000538751897 504358735 /nfs/dbraw/zinc/35/87/35/504358735.db2.gz VMMMTSXERIOUAI-IBGZPJMESA-N 2 1 360.477 3.149 20 0 FGADMP CCn1c2ccccc2nc1C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000538762564 504360597 /nfs/dbraw/zinc/36/05/97/504360597.db2.gz XDVCDPCUPJFHLD-UHFFFAOYSA-N 2 1 358.530 3.379 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000538763093 504362277 /nfs/dbraw/zinc/36/22/77/504362277.db2.gz FRPZYQUNZZLKAO-UHFFFAOYSA-N 2 1 356.514 3.400 20 0 FGADMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799705 504375961 /nfs/dbraw/zinc/37/59/61/504375961.db2.gz SGLWFMDNCQAKDE-GHTZIAJQSA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538799705 504375965 /nfs/dbraw/zinc/37/59/65/504375965.db2.gz SGLWFMDNCQAKDE-GHTZIAJQSA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000538799705 504375969 /nfs/dbraw/zinc/37/59/69/504375969.db2.gz SGLWFMDNCQAKDE-GHTZIAJQSA-N 2 1 372.509 3.077 20 0 FGADMP C[C@H](Cc1ccsc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000542158661 504385871 /nfs/dbraw/zinc/38/58/71/504385871.db2.gz KCWPJBOFJYXZTL-LJQANCHMSA-N 2 1 357.567 3.429 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000520280399 504453103 /nfs/dbraw/zinc/45/31/03/504453103.db2.gz GKGGTYOFNLJFJW-RTBURBONSA-N 2 1 374.573 3.306 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483921 504462401 /nfs/dbraw/zinc/46/24/01/504462401.db2.gz BAKZPPIXDRRGOB-WIYYLYMNSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539093307 504470434 /nfs/dbraw/zinc/47/04/34/504470434.db2.gz KXMCIIIYUGQGBZ-IIDMSEBBSA-N 2 1 366.347 3.205 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339358 504470883 /nfs/dbraw/zinc/47/08/83/504470883.db2.gz QSUNDWAWWBQFAE-UGKGYDQZSA-N 2 1 371.569 3.176 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000535585606 504478164 /nfs/dbraw/zinc/47/81/64/504478164.db2.gz XZRDQYHOSYCJDA-LJQANCHMSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000535585606 504478171 /nfs/dbraw/zinc/47/81/71/504478171.db2.gz XZRDQYHOSYCJDA-LJQANCHMSA-N 2 1 363.933 3.468 20 0 FGADMP C[C@@H](c1ccccc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539148305 504487391 /nfs/dbraw/zinc/48/73/91/504487391.db2.gz LZWALLCSZCGYLX-KURKYZTESA-N 2 1 364.505 3.477 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000535668758 504501725 /nfs/dbraw/zinc/50/17/25/504501725.db2.gz ZRLARJNTVHXYLJ-SJORKVTESA-N 2 1 354.281 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000535668758 504501731 /nfs/dbraw/zinc/50/17/31/504501731.db2.gz ZRLARJNTVHXYLJ-SJORKVTESA-N 2 1 354.281 3.479 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542476914 504505131 /nfs/dbraw/zinc/50/51/31/504505131.db2.gz HJZFWHDJDNXBBD-QFIPXVFZSA-N 2 1 370.516 3.317 20 0 FGADMP CCN1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@@H](C)[C@H](C)C3)cc2)CC1 ZINC000539294400 504521944 /nfs/dbraw/zinc/52/19/44/504521944.db2.gz CYVCTJWLJVSNHJ-WOJBJXKFSA-N 2 1 373.585 3.270 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578420 504533648 /nfs/dbraw/zinc/53/36/48/504533648.db2.gz KJLVJHUWOGXTMC-ZVDOUQERSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578420 504533655 /nfs/dbraw/zinc/53/36/55/504533655.db2.gz KJLVJHUWOGXTMC-ZVDOUQERSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000520578420 504533659 /nfs/dbraw/zinc/53/36/59/504533659.db2.gz KJLVJHUWOGXTMC-ZVDOUQERSA-N 2 1 372.557 3.242 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000520621517 504542505 /nfs/dbraw/zinc/54/25/05/504542505.db2.gz JSWYTKZWGRVBTD-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000520621517 504542508 /nfs/dbraw/zinc/54/25/08/504542508.db2.gz JSWYTKZWGRVBTD-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C(C)C ZINC000520621517 504542515 /nfs/dbraw/zinc/54/25/15/504542515.db2.gz JSWYTKZWGRVBTD-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP C[N@@H+](CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCCC1 ZINC000539395112 504555470 /nfs/dbraw/zinc/55/54/70/504555470.db2.gz GJWFFCFIKKTIBO-FQEVSTJZSA-N 2 1 357.542 3.439 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520734731 504568743 /nfs/dbraw/zinc/56/87/43/504568743.db2.gz PXMQQBIUVIKRMV-AZUAARDMSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734731 504568745 /nfs/dbraw/zinc/56/87/45/504568745.db2.gz PXMQQBIUVIKRMV-AZUAARDMSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734731 504568750 /nfs/dbraw/zinc/56/87/50/504568750.db2.gz PXMQQBIUVIKRMV-AZUAARDMSA-N 2 1 373.516 3.171 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794948 504584521 /nfs/dbraw/zinc/58/45/21/504584521.db2.gz MGRWWJARXIMDHM-OTWHNJEPSA-N 2 1 351.579 3.323 20 0 FGADMP CC(C)C[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539485314 504585290 /nfs/dbraw/zinc/58/52/90/504585290.db2.gz FRZFGUREXTYFOL-RXVVDRJESA-N 2 1 372.557 3.313 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758359 504598020 /nfs/dbraw/zinc/59/80/20/504598020.db2.gz ARLUIDINUROGPE-JENIJYKNSA-N 2 1 364.578 3.011 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000532292012 504600571 /nfs/dbraw/zinc/60/05/71/504600571.db2.gz ORZJGUABAMSZJN-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000520908843 504608165 /nfs/dbraw/zinc/60/81/65/504608165.db2.gz FAXNRZKVBRBGTH-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000520908843 504608171 /nfs/dbraw/zinc/60/81/71/504608171.db2.gz FAXNRZKVBRBGTH-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000520908843 504608176 /nfs/dbraw/zinc/60/81/76/504608176.db2.gz FAXNRZKVBRBGTH-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000520954531 504615406 /nfs/dbraw/zinc/61/54/06/504615406.db2.gz LNKBZNYBQWEHDG-LJQANCHMSA-N 2 1 363.521 3.273 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000542851501 504634531 /nfs/dbraw/zinc/63/45/31/504634531.db2.gz INTXEGDSKUYZGA-VQTJNVASSA-N 2 1 357.473 3.418 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000542851501 504634534 /nfs/dbraw/zinc/63/45/34/504634534.db2.gz INTXEGDSKUYZGA-VQTJNVASSA-N 2 1 357.473 3.418 20 0 FGADMP CC(C)N1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539697228 504655727 /nfs/dbraw/zinc/65/57/27/504655727.db2.gz CGZCZWSXKWXOQR-IEBWSBKVSA-N 2 1 369.912 3.459 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532517011 504679232 /nfs/dbraw/zinc/67/92/32/504679232.db2.gz JQMQFYQQSFZTEB-PKTZIBPZSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532517011 504679236 /nfs/dbraw/zinc/67/92/36/504679236.db2.gz JQMQFYQQSFZTEB-PKTZIBPZSA-N 2 1 366.505 3.299 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299856 504690551 /nfs/dbraw/zinc/69/05/51/504690551.db2.gz WOVAVDGKBCKJJY-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299856 504690554 /nfs/dbraw/zinc/69/05/54/504690554.db2.gz WOVAVDGKBCKJJY-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299856 504690559 /nfs/dbraw/zinc/69/05/59/504690559.db2.gz WOVAVDGKBCKJJY-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299856 504690564 /nfs/dbraw/zinc/69/05/64/504690564.db2.gz WOVAVDGKBCKJJY-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CN(CC[N@@H+](C)CCn1ccc2cc(Cl)ccc21)C1CC[NH+](C)CC1 ZINC000521260339 504695688 /nfs/dbraw/zinc/69/56/88/504695688.db2.gz CBTYMDMZOMUCFO-UHFFFAOYSA-N 2 1 362.949 3.253 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361083 504709542 /nfs/dbraw/zinc/70/95/42/504709542.db2.gz NTCNTIPBEGQTSK-NRFANRHFSA-N 2 1 369.509 3.435 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)[C@@H](C)[C@H]3C)c2c1C ZINC000540026479 504762137 /nfs/dbraw/zinc/76/21/37/504762137.db2.gz FDEAXOWIJAWWLL-LSDHHAIUSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)[C@@H](C)[C@H]3C)c2c1C ZINC000540026479 504762140 /nfs/dbraw/zinc/76/21/40/504762140.db2.gz FDEAXOWIJAWWLL-LSDHHAIUSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051666 504782253 /nfs/dbraw/zinc/78/22/53/504782253.db2.gz OSEDYOYAGNYOHV-QZTJIDSGSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051666 504782255 /nfs/dbraw/zinc/78/22/55/504782255.db2.gz OSEDYOYAGNYOHV-QZTJIDSGSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051666 504782257 /nfs/dbraw/zinc/78/22/57/504782257.db2.gz OSEDYOYAGNYOHV-QZTJIDSGSA-N 2 1 352.544 3.006 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096895 504792595 /nfs/dbraw/zinc/79/25/95/504792595.db2.gz JLZAGNYWFIMYTB-RTWAWAEBSA-N 2 1 360.542 3.054 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096895 504792597 /nfs/dbraw/zinc/79/25/97/504792597.db2.gz JLZAGNYWFIMYTB-RTWAWAEBSA-N 2 1 360.542 3.054 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC000552981214 504797908 /nfs/dbraw/zinc/79/79/08/504797908.db2.gz HCLJUJCXLHBDHW-YLJYHZDGSA-N 2 1 366.509 3.136 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC000562477813 504832644 /nfs/dbraw/zinc/83/26/44/504832644.db2.gz PWPSSUGJIBNMGX-VXKWHMMOSA-N 2 1 351.494 3.162 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC000562477813 504832645 /nfs/dbraw/zinc/83/26/45/504832645.db2.gz PWPSSUGJIBNMGX-VXKWHMMOSA-N 2 1 351.494 3.162 20 0 FGADMP CC[C@@H]1C[NH+](Cc2cncc(C[N@H+]3CCCO[C@H](CC)C3)c2)CCCO1 ZINC000556271403 504833289 /nfs/dbraw/zinc/83/32/89/504833289.db2.gz LDMLLTSLBFIHER-NHCUHLMSSA-N 2 1 361.530 3.083 20 0 FGADMP CCC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000559619569 504898168 /nfs/dbraw/zinc/89/81/68/504898168.db2.gz ONOXYUVVCMPWHF-NRFANRHFSA-N 2 1 362.477 3.461 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@@H]1c1ccccc1 ZINC000559754198 504923162 /nfs/dbraw/zinc/92/31/62/504923162.db2.gz WQVHKPABFYDYEN-VQTJNVASSA-N 2 1 367.541 3.362 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@@H]1c1ccccc1 ZINC000559754198 504923164 /nfs/dbraw/zinc/92/31/64/504923164.db2.gz WQVHKPABFYDYEN-VQTJNVASSA-N 2 1 367.541 3.362 20 0 FGADMP Cc1ccc2snc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2c1 ZINC000549945134 504941965 /nfs/dbraw/zinc/94/19/65/504941965.db2.gz VTTCOBPSLBTLNB-UHFFFAOYSA-N 2 1 367.478 3.004 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2cccc(C)c2)cc1F ZINC000565649118 504949069 /nfs/dbraw/zinc/94/90/69/504949069.db2.gz AMCDKVXXNZPCNO-GOSISDBHSA-N 2 1 369.440 3.158 20 0 FGADMP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913386 504949717 /nfs/dbraw/zinc/94/97/17/504949717.db2.gz KIVJKLRCLDYYHT-XWTZVGMHSA-N 2 1 355.526 3.029 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000565654943 504950638 /nfs/dbraw/zinc/95/06/38/504950638.db2.gz ZMPSTXLCMAVCCD-FXAWDEMLSA-N 2 1 360.542 3.272 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000560063069 504982192 /nfs/dbraw/zinc/98/21/92/504982192.db2.gz NLMKPQFKCWMITF-JTHBVZDNSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000560063069 504982195 /nfs/dbraw/zinc/98/21/95/504982195.db2.gz NLMKPQFKCWMITF-JTHBVZDNSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H]2CCC[C@@H]21 ZINC000556862783 504998793 /nfs/dbraw/zinc/99/87/93/504998793.db2.gz ALSVUGNJYWYESK-QMMLZNLJSA-N 2 1 363.496 3.392 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262724 505005280 /nfs/dbraw/zinc/00/52/80/505005280.db2.gz PJDAQYZMUNIPAX-NRSPTQNISA-N 2 1 358.526 3.072 20 0 FGADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000562984629 505009627 /nfs/dbraw/zinc/00/96/27/505009627.db2.gz HLTRGQKHAADNLN-LJQANCHMSA-N 2 1 370.493 3.293 20 0 FGADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000560184335 505014086 /nfs/dbraw/zinc/01/40/86/505014086.db2.gz QJPIIWNVINYYLH-NCYKPQTJSA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCC[C@@H]1[C@H]1CCCO1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184335 505014090 /nfs/dbraw/zinc/01/40/90/505014090.db2.gz QJPIIWNVINYYLH-NCYKPQTJSA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCC[C@@H]1[C@H]1CCCO1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184335 505014093 /nfs/dbraw/zinc/01/40/93/505014093.db2.gz QJPIIWNVINYYLH-NCYKPQTJSA-N 2 1 350.547 3.444 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2)C[C@@H](C)O1 ZINC000550327539 505022967 /nfs/dbraw/zinc/02/29/67/505022967.db2.gz DCTIFKZSTTVGHV-HZPDHXFCSA-N 2 1 364.449 3.196 20 0 FGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)COC3CCC([NH3+])CC3)c2C1 ZINC000563202759 505074844 /nfs/dbraw/zinc/07/48/44/505074844.db2.gz CULCEAVHADCNKK-UHFFFAOYSA-N 2 1 359.514 3.273 20 0 FGADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629884 505076578 /nfs/dbraw/zinc/07/65/78/505076578.db2.gz XCXAPYNCWOGTOR-WMQCIHAUSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629884 505076583 /nfs/dbraw/zinc/07/65/83/505076583.db2.gz XCXAPYNCWOGTOR-WMQCIHAUSA-N 2 1 351.494 3.116 20 0 FGADMP FC(F)(F)COc1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000550664821 505081598 /nfs/dbraw/zinc/08/15/98/505081598.db2.gz YEXSPGOCZOGPSA-QGZVFWFLSA-N 2 1 372.431 3.314 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1)CC1CC1 ZINC000557173400 505084992 /nfs/dbraw/zinc/08/49/92/505084992.db2.gz ZJXFRWZWPLZDAX-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319239 505107436 /nfs/dbraw/zinc/10/74/36/505107436.db2.gz YBIRVQAAVZLBKJ-FQEVSTJZSA-N 2 1 351.579 3.466 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000566208359 505111773 /nfs/dbraw/zinc/11/17/73/505111773.db2.gz OPPXTJWFZBFFQT-RTWAWAEBSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000560528978 505116585 /nfs/dbraw/zinc/11/65/85/505116585.db2.gz QMMONRLOLQWPAC-MRXNPFEDSA-N 2 1 353.501 3.149 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563350819 505117363 /nfs/dbraw/zinc/11/73/63/505117363.db2.gz ROUIMHZNEHTAGT-LRDDRELGSA-N 2 1 363.303 3.255 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000563350819 505117366 /nfs/dbraw/zinc/11/73/66/505117366.db2.gz ROUIMHZNEHTAGT-LRDDRELGSA-N 2 1 363.303 3.255 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CCC(O)CC3)cc2)C[C@H]1C ZINC000560543847 505120629 /nfs/dbraw/zinc/12/06/29/505120629.db2.gz CVBHLRDLSWBIEU-FWGXRIOKSA-N 2 1 360.542 3.089 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000560548168 505122826 /nfs/dbraw/zinc/12/28/26/505122826.db2.gz AIJFTHNHXIANSX-SQNIBIBYSA-N 2 1 358.461 3.271 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000554238405 505122842 /nfs/dbraw/zinc/12/28/42/505122842.db2.gz HHCUIMXYCJVUDE-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000554238405 505122845 /nfs/dbraw/zinc/12/28/45/505122845.db2.gz HHCUIMXYCJVUDE-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccccc4[C@@H]3C)CC2)CC1 ZINC000563386270 505129169 /nfs/dbraw/zinc/12/91/69/505129169.db2.gz VRNSLEJXJFFFIB-KRWDZBQOSA-N 2 1 355.526 3.286 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cccc(Cl)c3)CC2)CC1 ZINC000557450372 505138062 /nfs/dbraw/zinc/13/80/62/505138062.db2.gz NPLSTNGLPMQUAL-UHFFFAOYSA-N 2 1 363.933 3.153 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000563680622 505209137 /nfs/dbraw/zinc/20/91/37/505209137.db2.gz AQIJVTXSSOIFHL-YGBDOONVSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000563680622 505209143 /nfs/dbraw/zinc/20/91/43/505209143.db2.gz AQIJVTXSSOIFHL-YGBDOONVSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCCC[NH+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000563680622 505209147 /nfs/dbraw/zinc/20/91/47/505209147.db2.gz AQIJVTXSSOIFHL-YGBDOONVSA-N 2 1 364.574 3.017 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000563701287 505215643 /nfs/dbraw/zinc/21/56/43/505215643.db2.gz QVSPHEITDBYFQW-XSYGEPLQSA-N 2 1 355.869 3.346 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554609466 505221145 /nfs/dbraw/zinc/22/11/45/505221145.db2.gz AAWHRYUEAHFLNT-MJGOQNOKSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@H](C)O1 ZINC000551552382 505251145 /nfs/dbraw/zinc/25/11/45/505251145.db2.gz MXYTUUGRPVEWKO-HDICACEKSA-N 2 1 374.573 3.485 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563887202 505266844 /nfs/dbraw/zinc/26/68/44/505266844.db2.gz FCSISGWGQAWXSF-JOCHJYFZSA-N 2 1 352.526 3.432 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563887202 505266849 /nfs/dbraw/zinc/26/68/49/505266849.db2.gz FCSISGWGQAWXSF-JOCHJYFZSA-N 2 1 352.526 3.432 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920075 505276689 /nfs/dbraw/zinc/27/66/89/505276689.db2.gz UPWJMTNLDGXJEG-SFTDATJTSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920075 505276695 /nfs/dbraw/zinc/27/66/95/505276695.db2.gz UPWJMTNLDGXJEG-SFTDATJTSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920075 505276700 /nfs/dbraw/zinc/27/67/00/505276700.db2.gz UPWJMTNLDGXJEG-SFTDATJTSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920075 505276702 /nfs/dbraw/zinc/27/67/02/505276702.db2.gz UPWJMTNLDGXJEG-SFTDATJTSA-N 2 1 364.489 3.412 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566855173 505292012 /nfs/dbraw/zinc/29/20/12/505292012.db2.gz VKPRDYRVYLMEMI-RTWAWAEBSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000566880611 505299198 /nfs/dbraw/zinc/29/91/98/505299198.db2.gz UHWRSPZZBYBMCC-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000566880611 505299203 /nfs/dbraw/zinc/29/92/03/505299203.db2.gz UHWRSPZZBYBMCC-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000566880611 505299207 /nfs/dbraw/zinc/29/92/07/505299207.db2.gz UHWRSPZZBYBMCC-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000566880611 505299211 /nfs/dbraw/zinc/29/92/11/505299211.db2.gz UHWRSPZZBYBMCC-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(C[NH+](C)C)CC1)n2CC ZINC000561378938 505330129 /nfs/dbraw/zinc/33/01/29/505330129.db2.gz ADHAZXDSLTUPKC-UHFFFAOYSA-N 2 1 372.513 3.007 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000555171630 505370540 /nfs/dbraw/zinc/37/05/40/505370540.db2.gz MVBOSYSOBVTBSL-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558403971 505378582 /nfs/dbraw/zinc/37/85/82/505378582.db2.gz UNUWUNFTHDOATE-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000552042625 505378991 /nfs/dbraw/zinc/37/89/91/505378991.db2.gz QUJCCAJZSATXST-OAQYLSRUSA-N 2 1 370.541 3.113 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H]2CCC[C@H]21 ZINC000552056616 505383323 /nfs/dbraw/zinc/38/33/23/505383323.db2.gz LIQSDOIZLAEEET-OQEHDIDLSA-N 2 1 360.517 3.362 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000567176444 505385529 /nfs/dbraw/zinc/38/55/29/505385529.db2.gz FNOAWIBXIJZTLL-IBGZPJMESA-N 2 1 359.901 3.321 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000552102747 505400674 /nfs/dbraw/zinc/40/06/74/505400674.db2.gz QNIQVFBAQVFMGW-QGZVFWFLSA-N 2 1 360.527 3.138 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCOCC1)c1ccccc1 ZINC000552249949 505440463 /nfs/dbraw/zinc/44/04/63/505440463.db2.gz QIPJQXVXWVXKEQ-VXSCBNMQSA-N 2 1 371.569 3.349 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386871 505448005 /nfs/dbraw/zinc/44/80/05/505448005.db2.gz LKGLIEQXQBOPSW-BWPNAZKDSA-N 2 1 365.521 3.337 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000555546734 505453152 /nfs/dbraw/zinc/45/31/52/505453152.db2.gz FOFRUQFGZWYRJX-LJQANCHMSA-N 2 1 372.557 3.027 20 0 FGADMP CC[C@@H](NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598502 505469193 /nfs/dbraw/zinc/46/91/93/505469193.db2.gz WCSDLSASDVHYAX-UYAOXDASSA-N 2 1 363.933 3.325 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@H+]1CCCC[C@@H]1C ZINC000567515844 505485640 /nfs/dbraw/zinc/48/56/40/505485640.db2.gz DISSCYYAJLERAC-STEAMIEHSA-N 2 1 363.933 3.022 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000567517347 505486572 /nfs/dbraw/zinc/48/65/72/505486572.db2.gz ZLTNPBSLNVLZRS-GOSISDBHSA-N 2 1 357.542 3.103 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000564987703 505565642 /nfs/dbraw/zinc/56/56/42/505565642.db2.gz GJQTZXXEFFQYFV-CAUQANCSSA-N 2 1 365.521 3.465 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989521 505565736 /nfs/dbraw/zinc/56/57/36/505565736.db2.gz PNFLNWYEBCCLDV-PBWTXFEYSA-N 2 1 369.509 3.320 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989522 505565957 /nfs/dbraw/zinc/56/59/57/505565957.db2.gz PNFLNWYEBCCLDV-RNIPGJKVSA-N 2 1 369.509 3.320 20 0 FGADMP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000567829420 505566618 /nfs/dbraw/zinc/56/66/18/505566618.db2.gz KIJRQYBOZWFLMU-GOSISDBHSA-N 2 1 367.468 3.322 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000599403797 506442716 /nfs/dbraw/zinc/44/27/16/506442716.db2.gz CMTYGPVZFLXNDD-GOSISDBHSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000582863421 506460839 /nfs/dbraw/zinc/46/08/39/506460839.db2.gz HFTUQNFHGPEKJC-OSZJIOELSA-N 2 1 369.553 3.455 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000583123509 506601980 /nfs/dbraw/zinc/60/19/80/506601980.db2.gz BHANPXHCHAFFGJ-NHCUHLMSSA-N 2 1 368.525 3.068 20 0 FGADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000583136258 506610432 /nfs/dbraw/zinc/61/04/32/506610432.db2.gz OFRNWOANKIASAF-UHFFFAOYSA-N 2 1 372.513 3.022 20 0 FGADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000583136258 506610439 /nfs/dbraw/zinc/61/04/39/506610439.db2.gz OFRNWOANKIASAF-UHFFFAOYSA-N 2 1 372.513 3.022 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000583197695 506644253 /nfs/dbraw/zinc/64/42/53/506644253.db2.gz COBRWHNJIZWGIX-YOESJJQFSA-N 2 1 369.553 3.311 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204496 506647710 /nfs/dbraw/zinc/64/77/10/506647710.db2.gz XANUUAILDWTIQL-ZWKOTPCHSA-N 2 1 370.497 3.087 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204496 506647718 /nfs/dbraw/zinc/64/77/18/506647718.db2.gz XANUUAILDWTIQL-ZWKOTPCHSA-N 2 1 370.497 3.087 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000583208353 506650738 /nfs/dbraw/zinc/65/07/38/506650738.db2.gz YREQIFCYQKMENY-VQIMIIECSA-N 2 1 366.509 3.096 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000608661414 506653346 /nfs/dbraw/zinc/65/33/46/506653346.db2.gz UODALVDBXQGTRD-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000608671666 506659450 /nfs/dbraw/zinc/65/94/50/506659450.db2.gz WVOJFJFJMKFZSQ-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000608671666 506659456 /nfs/dbraw/zinc/65/94/56/506659456.db2.gz WVOJFJFJMKFZSQ-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000608671666 506659460 /nfs/dbraw/zinc/65/94/60/506659460.db2.gz WVOJFJFJMKFZSQ-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107051 506715995 /nfs/dbraw/zinc/71/59/95/506715995.db2.gz YQHKZYVYPMVJTC-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604107051 506716001 /nfs/dbraw/zinc/71/60/01/506716001.db2.gz YQHKZYVYPMVJTC-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604107051 506716011 /nfs/dbraw/zinc/71/60/11/506716011.db2.gz YQHKZYVYPMVJTC-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612962690 506840760 /nfs/dbraw/zinc/84/07/60/506840760.db2.gz ISZPSSSXRDNGOZ-YLJYHZDGSA-N 2 1 370.541 3.002 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593963852 506854550 /nfs/dbraw/zinc/85/45/50/506854550.db2.gz FCAWMEJRTLRMDG-FPOVZHCZSA-N 2 1 373.516 3.125 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000583755119 506954454 /nfs/dbraw/zinc/95/44/54/506954454.db2.gz FCJJUTVNORTAQE-GOSISDBHSA-N 2 1 357.542 3.223 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831745 506998854 /nfs/dbraw/zinc/99/88/54/506998854.db2.gz CFMRAVQMOUYEJY-SIKLNZKXSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831745 506998858 /nfs/dbraw/zinc/99/88/58/506998858.db2.gz CFMRAVQMOUYEJY-SIKLNZKXSA-N 2 1 365.521 3.368 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594316884 507077006 /nfs/dbraw/zinc/07/70/06/507077006.db2.gz GQGXUEPWXTWJPE-ROUUACIJSA-N 2 1 352.567 3.011 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000583982986 507086307 /nfs/dbraw/zinc/08/63/07/507086307.db2.gz SXTUEWZDYYBMPU-HXUWFJFHSA-N 2 1 350.466 3.076 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584042152 507118736 /nfs/dbraw/zinc/11/87/36/507118736.db2.gz DQFPGWFDSKBDRI-LVCYWYKZSA-N 2 1 372.557 3.235 20 0 FGADMP CC(C[NH+]1CC[C@H](c2cccnc2)C1)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000584051175 507124022 /nfs/dbraw/zinc/12/40/22/507124022.db2.gz LFQDRPQAQIEIOR-VXKWHMMOSA-N 2 1 350.510 3.392 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127514 507125835 /nfs/dbraw/zinc/12/58/35/507125835.db2.gz BVFCBLIDWNRAST-LPHOPBHVSA-N 2 1 363.571 3.121 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127514 507125845 /nfs/dbraw/zinc/12/58/45/507125845.db2.gz BVFCBLIDWNRAST-LPHOPBHVSA-N 2 1 363.571 3.121 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCCc3ccccc32)CC1 ZINC000594470530 507146790 /nfs/dbraw/zinc/14/67/90/507146790.db2.gz AVBAMMYSRNOHPC-SFHVURJKSA-N 2 1 364.493 3.282 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000584113990 507160455 /nfs/dbraw/zinc/16/04/55/507160455.db2.gz VGPIFOBSRIMLIW-UAGQMJEPSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000584113990 507160463 /nfs/dbraw/zinc/16/04/63/507160463.db2.gz VGPIFOBSRIMLIW-UAGQMJEPSA-N 2 1 373.522 3.387 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000584180310 507197845 /nfs/dbraw/zinc/19/78/45/507197845.db2.gz JEACNLHTKMVJOG-GOSISDBHSA-N 2 1 357.498 3.026 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000584180310 507197855 /nfs/dbraw/zinc/19/78/55/507197855.db2.gz JEACNLHTKMVJOG-GOSISDBHSA-N 2 1 357.498 3.026 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)n1 ZINC000584351247 507297029 /nfs/dbraw/zinc/29/70/29/507297029.db2.gz YFAGOZRTGWBYNJ-GOSISDBHSA-N 2 1 364.415 3.467 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000591618339 507314191 /nfs/dbraw/zinc/31/41/91/507314191.db2.gz QDVVXNREUMULFH-FQEVSTJZSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440387 507344215 /nfs/dbraw/zinc/34/42/15/507344215.db2.gz QCCVILLSPVPHSN-ZBFHGGJFSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440387 507344219 /nfs/dbraw/zinc/34/42/19/507344219.db2.gz QCCVILLSPVPHSN-ZBFHGGJFSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440387 507344226 /nfs/dbraw/zinc/34/42/26/507344226.db2.gz QCCVILLSPVPHSN-ZBFHGGJFSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606659596 507472368 /nfs/dbraw/zinc/47/23/68/507472368.db2.gz OOTBDALOIJVJOW-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606684338 507478502 /nfs/dbraw/zinc/47/85/02/507478502.db2.gz QVFXTFCSUJAHFQ-PMACEKPBSA-N 2 1 364.578 3.301 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000595407435 507482868 /nfs/dbraw/zinc/48/28/68/507482868.db2.gz RUAAOFUDKBCUSZ-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000595407435 507482879 /nfs/dbraw/zinc/48/28/79/507482879.db2.gz RUAAOFUDKBCUSZ-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000595407435 507482890 /nfs/dbraw/zinc/48/28/90/507482890.db2.gz RUAAOFUDKBCUSZ-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000584782184 507501150 /nfs/dbraw/zinc/50/11/50/507501150.db2.gz MSFAMNKLFNGBOW-LJQANCHMSA-N 2 1 366.509 3.037 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1C[NH+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810976 507697810 /nfs/dbraw/zinc/69/78/10/507697810.db2.gz QSPSWEPDPOCOJV-PSBWJHGTSA-N 2 1 354.494 3.157 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CC[C@@H]3C[C@@H]3C2)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810976 507697814 /nfs/dbraw/zinc/69/78/14/507697814.db2.gz QSPSWEPDPOCOJV-PSBWJHGTSA-N 2 1 354.494 3.157 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CC[C@@H]3C[C@@H]3C2)c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810976 507697818 /nfs/dbraw/zinc/69/78/18/507697818.db2.gz QSPSWEPDPOCOJV-PSBWJHGTSA-N 2 1 354.494 3.157 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000480548255 514994606 /nfs/dbraw/zinc/99/46/06/514994606.db2.gz UCCJTBIIGLBMGA-UHFFFAOYSA-N 2 1 361.534 3.100 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399389 599315051 /nfs/dbraw/zinc/31/50/51/599315051.db2.gz JKYRDWCWWYAADV-CVEARBPZSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399389 599315053 /nfs/dbraw/zinc/31/50/53/599315053.db2.gz JKYRDWCWWYAADV-CVEARBPZSA-N 2 1 363.469 3.065 20 0 FGADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275185 599337988 /nfs/dbraw/zinc/33/79/88/599337988.db2.gz HYMAUJFMXRGQPV-ROUUACIJSA-N 2 1 368.529 3.372 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000821623833 599448296 /nfs/dbraw/zinc/44/82/96/599448296.db2.gz UEAISOBRRVONBK-WMZOPIPTSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000821623833 599448297 /nfs/dbraw/zinc/44/82/97/599448297.db2.gz UEAISOBRRVONBK-WMZOPIPTSA-N 2 1 368.510 3.101 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(CSC(F)F)o2)CC1 ZINC000105451293 700501084 /nfs/dbraw/zinc/50/10/84/700501084.db2.gz YAGYCNVESOJRGZ-UHFFFAOYSA-N 2 1 361.502 3.099 20 0 FGADMP Cc1cnc(CC[NH+](C)C/C=C/C[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000137169504 704868501 /nfs/dbraw/zinc/86/85/01/704868501.db2.gz MVHBEZSRAPAWAD-AATRIKPKSA-N 2 1 364.584 3.421 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150829532 704902664 /nfs/dbraw/zinc/90/26/64/704902664.db2.gz YDWGEHNFNRNJTN-QZTJIDSGSA-N 2 1 351.535 3.051 20 0 FGADMP CC1(C)SC(=O)N(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000155066120 705061958 /nfs/dbraw/zinc/06/19/58/705061958.db2.gz ISWDRTCIVUMUOS-UHFFFAOYSA-N 2 1 353.532 3.006 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178739059 705674452 /nfs/dbraw/zinc/67/44/52/705674452.db2.gz VFCHGKDAKPRCKI-SFHVURJKSA-N 2 1 351.535 3.226 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541411 705849208 /nfs/dbraw/zinc/84/92/08/705849208.db2.gz VKWQSULGWNEMGD-SOLBZPMBSA-N 2 1 351.535 3.238 20 0 FGADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192670512 712870039 /nfs/dbraw/zinc/87/00/39/712870039.db2.gz JUWDTROXFXYUMO-OLZOCXBDSA-N 2 1 360.329 3.376 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000301466950 713782064 /nfs/dbraw/zinc/78/20/64/713782064.db2.gz XOJCDSLMPIYTCX-KSZLIROESA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)(C)OC(=O)Nc1ncc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000374328285 713913965 /nfs/dbraw/zinc/91/39/65/713913965.db2.gz IAGUFTVSLBISKV-QWHCGFSZSA-N 2 1 352.504 3.207 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418567773 714010290 /nfs/dbraw/zinc/01/02/90/714010290.db2.gz BFGHQIYPLCRWIQ-OALUTQOASA-N 2 1 352.567 3.046 20 0 FGADMP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479956053 714090763 /nfs/dbraw/zinc/09/07/63/714090763.db2.gz JGFRBJCHKLRDHM-SCRDCRAPSA-N 2 1 368.321 3.210 20 0 FGADMP F[C@@H](C(F)(F)F)C(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479956053 714090766 /nfs/dbraw/zinc/09/07/66/714090766.db2.gz JGFRBJCHKLRDHM-SCRDCRAPSA-N 2 1 368.321 3.210 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000524263707 714275685 /nfs/dbraw/zinc/27/56/85/714275685.db2.gz UWWRKDJDMOOWKD-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000524263707 714275686 /nfs/dbraw/zinc/27/56/86/714275686.db2.gz UWWRKDJDMOOWKD-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000524263707 714275689 /nfs/dbraw/zinc/27/56/89/714275689.db2.gz UWWRKDJDMOOWKD-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1C ZINC000525709048 714370849 /nfs/dbraw/zinc/37/08/49/714370849.db2.gz HWOKTCRGEOWGPK-MLGOLLRUSA-N 2 1 351.288 3.297 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@H+]1C ZINC000525709048 714370852 /nfs/dbraw/zinc/37/08/52/714370852.db2.gz HWOKTCRGEOWGPK-MLGOLLRUSA-N 2 1 351.288 3.297 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000615672311 714543953 /nfs/dbraw/zinc/54/39/53/714543953.db2.gz UBNMRRUGZTYSHR-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000617504254 714663339 /nfs/dbraw/zinc/66/33/39/714663339.db2.gz MNSRDASZIYKPPL-NSHDSACASA-N 2 1 364.292 3.134 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(Cl)cc1Cl ZINC000617504254 714663340 /nfs/dbraw/zinc/66/33/40/714663340.db2.gz MNSRDASZIYKPPL-NSHDSACASA-N 2 1 364.292 3.134 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000620620774 714926476 /nfs/dbraw/zinc/92/64/76/714926476.db2.gz BMRWONGYOVKUSI-ZIAGYGMSSA-N 2 1 365.484 3.132 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000620620774 714926477 /nfs/dbraw/zinc/92/64/77/714926477.db2.gz BMRWONGYOVKUSI-ZIAGYGMSSA-N 2 1 365.484 3.132 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000620620774 714926480 /nfs/dbraw/zinc/92/64/80/714926480.db2.gz BMRWONGYOVKUSI-ZIAGYGMSSA-N 2 1 365.484 3.132 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000622090193 715052738 /nfs/dbraw/zinc/05/27/38/715052738.db2.gz QXNBBUIWESXHMC-UHFFFAOYSA-N 2 1 352.567 3.157 20 0 FGADMP C[NH+](CCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000622090193 715052741 /nfs/dbraw/zinc/05/27/41/715052741.db2.gz QXNBBUIWESXHMC-UHFFFAOYSA-N 2 1 352.567 3.157 20 0 FGADMP C[NH+](CCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000622090193 715052743 /nfs/dbraw/zinc/05/27/43/715052743.db2.gz QXNBBUIWESXHMC-UHFFFAOYSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH+]ccc1N ZINC000643455594 718034818 /nfs/dbraw/zinc/03/48/18/718034818.db2.gz ZNLXHFARBSSTOS-GXTWGEPZSA-N 2 1 350.388 3.442 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623360609 715318199 /nfs/dbraw/zinc/31/81/99/715318199.db2.gz QRMSBASYQBXBAA-DOTOQJQBSA-N 2 1 350.503 3.244 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623360609 715318202 /nfs/dbraw/zinc/31/82/02/715318202.db2.gz QRMSBASYQBXBAA-DOTOQJQBSA-N 2 1 350.503 3.244 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)n1CC(C)C ZINC000623418620 715332417 /nfs/dbraw/zinc/33/24/17/715332417.db2.gz XYCAKGTVWASACG-OAHLLOKOSA-N 2 1 353.580 3.051 20 0 FGADMP CN1C(=O)C[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472193 715342815 /nfs/dbraw/zinc/34/28/15/715342815.db2.gz HUGWUJUDWSTLCB-OWQGQXMQSA-N 2 1 367.896 3.213 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472193 715342832 /nfs/dbraw/zinc/34/28/32/715342832.db2.gz HUGWUJUDWSTLCB-OWQGQXMQSA-N 2 1 367.896 3.213 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624094957 715470605 /nfs/dbraw/zinc/47/06/05/715470605.db2.gz RCCCVOVXKAWMHT-NEWSRXKRSA-N 2 1 351.485 3.216 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN1CC(F)F ZINC000624094958 715471004 /nfs/dbraw/zinc/47/10/04/715471004.db2.gz RCCCVOVXKAWMHT-NZSAHSFTSA-N 2 1 351.485 3.216 20 0 FGADMP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756970 716179977 /nfs/dbraw/zinc/17/99/77/716179977.db2.gz YWPFJPBVFKENRY-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756970 716179982 /nfs/dbraw/zinc/17/99/82/716179982.db2.gz YWPFJPBVFKENRY-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756970 716179985 /nfs/dbraw/zinc/17/99/85/716179985.db2.gz YWPFJPBVFKENRY-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756970 716179988 /nfs/dbraw/zinc/17/99/88/716179988.db2.gz YWPFJPBVFKENRY-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562841 716308464 /nfs/dbraw/zinc/30/84/64/716308464.db2.gz CQSHFHPLAMTGHQ-WMLDXEAASA-N 2 1 360.420 3.313 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562841 716308476 /nfs/dbraw/zinc/30/84/76/716308476.db2.gz CQSHFHPLAMTGHQ-WMLDXEAASA-N 2 1 360.420 3.313 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629565062 716309232 /nfs/dbraw/zinc/30/92/32/716309232.db2.gz USKHWLWCXLNGCL-RISCZKNCSA-N 2 1 363.811 3.128 20 0 FGADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3F)C2)CC1 ZINC000631259515 716595705 /nfs/dbraw/zinc/59/57/05/716595705.db2.gz VDMZCOIUYSFPOT-GFCCVEGCSA-N 2 1 374.287 3.031 20 0 FGADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Cl)cc(Cl)c3F)C2)CC1 ZINC000631259515 716595707 /nfs/dbraw/zinc/59/57/07/716595707.db2.gz VDMZCOIUYSFPOT-GFCCVEGCSA-N 2 1 374.287 3.031 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000631839046 716688739 /nfs/dbraw/zinc/68/87/39/716688739.db2.gz ZGNSYEUHLXZCTN-DGCLKSJQSA-N 2 1 350.260 3.131 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C[C@H]1C[NH3+] ZINC000631839046 716688740 /nfs/dbraw/zinc/68/87/40/716688740.db2.gz ZGNSYEUHLXZCTN-DGCLKSJQSA-N 2 1 350.260 3.131 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cccn(C(F)F)c3=O)C2)CC1 ZINC000637978329 717397017 /nfs/dbraw/zinc/39/70/17/717397017.db2.gz NTEHKVHOQQCKGT-INIZCTEOSA-N 2 1 353.457 3.187 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccn(C(F)F)c3=O)C2)CC1 ZINC000637978329 717397021 /nfs/dbraw/zinc/39/70/21/717397021.db2.gz NTEHKVHOQQCKGT-INIZCTEOSA-N 2 1 353.457 3.187 20 0 FGADMP CC[C@H](C)[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136909 717411601 /nfs/dbraw/zinc/41/16/01/717411601.db2.gz PBAIYZFBOKXXTQ-GHTZIAJQSA-N 2 1 353.595 3.176 20 0 FGADMP CC[C@H](C)[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136909 717411604 /nfs/dbraw/zinc/41/16/04/717411604.db2.gz PBAIYZFBOKXXTQ-GHTZIAJQSA-N 3 1 353.595 3.176 20 0 FGADMP CC[C@H](C)[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136909 717411607 /nfs/dbraw/zinc/41/16/07/717411607.db2.gz PBAIYZFBOKXXTQ-GHTZIAJQSA-N 3 1 353.595 3.176 20 0 FGADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638303343 717432014 /nfs/dbraw/zinc/43/20/14/717432014.db2.gz CUTXLYMJMOWMOB-QZTJIDSGSA-N 2 1 366.347 3.268 20 0 FGADMP Cc1sc2nc([C@@H](C)[N@H+]3CCC4(C3)CC[NH+](C)CC4)nc(N)c2c1C ZINC000639758853 717599221 /nfs/dbraw/zinc/59/92/21/717599221.db2.gz XHLHBHKONGVWCZ-CYBMUJFWSA-N 2 1 359.543 3.369 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759879 717599835 /nfs/dbraw/zinc/59/98/35/717599835.db2.gz MSSNQXBDOHIZDN-ZDUSSCGKSA-N 2 1 353.869 3.224 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759879 717599839 /nfs/dbraw/zinc/59/98/39/717599839.db2.gz MSSNQXBDOHIZDN-ZDUSSCGKSA-N 2 1 353.869 3.224 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644553370 718123537 /nfs/dbraw/zinc/12/35/37/718123537.db2.gz KWPYCQLMKVKYSI-DZOHQFGASA-N 2 1 356.432 3.333 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669075 718140251 /nfs/dbraw/zinc/14/02/51/718140251.db2.gz AKZVQTJFYPGQKL-UONOGXRCSA-N 2 1 361.313 3.055 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000645121348 718184477 /nfs/dbraw/zinc/18/44/77/718184477.db2.gz YAAPTQYEWYKARZ-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000645121348 718184480 /nfs/dbraw/zinc/18/44/80/718184480.db2.gz YAAPTQYEWYKARZ-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP C[C@@H]1CC2(C[NH+]1CCC[N@@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646096779 718262939 /nfs/dbraw/zinc/26/29/39/718262939.db2.gz UNXQMCGSYTUHPR-KDURUIRLSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCC[NH+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646096779 718262941 /nfs/dbraw/zinc/26/29/41/718262941.db2.gz UNXQMCGSYTUHPR-KDURUIRLSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1CCC[NH+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646096779 718262943 /nfs/dbraw/zinc/26/29/43/718262943.db2.gz UNXQMCGSYTUHPR-KDURUIRLSA-N 2 1 350.547 3.159 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000646381005 718282271 /nfs/dbraw/zinc/28/22/71/718282271.db2.gz GDOLBCSOXFBTKZ-LMMKCTJWSA-N 2 1 363.933 3.181 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000647542263 718366508 /nfs/dbraw/zinc/36/65/08/718366508.db2.gz AXVNUNKJDBXXRH-GJZGRUSLSA-N 2 1 358.404 3.068 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000647542263 718366511 /nfs/dbraw/zinc/36/65/11/718366511.db2.gz AXVNUNKJDBXXRH-GJZGRUSLSA-N 2 1 358.404 3.068 20 0 FGADMP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543708 718366517 /nfs/dbraw/zinc/36/65/17/718366517.db2.gz RFHQPAKKRPHWAQ-ZIAGYGMSSA-N 2 1 353.304 3.366 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545462 718366875 /nfs/dbraw/zinc/36/68/75/718366875.db2.gz OZLQOMUNMJKXLP-ZBFHGGJFSA-N 2 1 367.331 3.240 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000647988414 718392939 /nfs/dbraw/zinc/39/29/39/718392939.db2.gz GTUYUACZXAJKMD-INIZCTEOSA-N 2 1 355.448 3.211 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278608 718500737 /nfs/dbraw/zinc/50/07/37/718500737.db2.gz PXYOLLWXSSFPKL-MOPGFXCFSA-N 2 1 357.885 3.293 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335724 718505042 /nfs/dbraw/zinc/50/50/42/718505042.db2.gz VAZYVDJLYMZYPS-RBUKOAKNSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335724 718505047 /nfs/dbraw/zinc/50/50/47/718505047.db2.gz VAZYVDJLYMZYPS-RBUKOAKNSA-N 2 1 357.885 3.121 20 0 FGADMP COC[C@H]1CCC[NH+]1Cc1cc(C[N@@H+]2CCC[C@H]2COC)ccc1F ZINC000649339096 718505328 /nfs/dbraw/zinc/50/53/28/718505328.db2.gz MGZRYMHAAMENOV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@H]1CCC[N@H+]1Cc1cc(C[NH+]2CCC[C@H]2COC)ccc1F ZINC000649339096 718505331 /nfs/dbraw/zinc/50/53/31/718505331.db2.gz MGZRYMHAAMENOV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@H]1CCC[N@@H+]1Cc1cc(C[NH+]2CCC[C@H]2COC)ccc1F ZINC000649339096 718505335 /nfs/dbraw/zinc/50/53/35/718505335.db2.gz MGZRYMHAAMENOV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342909 718505398 /nfs/dbraw/zinc/50/53/98/718505398.db2.gz WVNUZGYUDYIYEJ-RTBURBONSA-N 2 1 357.885 3.073 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707929 718717635 /nfs/dbraw/zinc/71/76/35/718717635.db2.gz QDICMGHYXICPAE-YXJHDRRASA-N 2 1 352.906 3.457 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C2 ZINC000650709784 718718099 /nfs/dbraw/zinc/71/80/99/718718099.db2.gz QIDCSELHBSGWNH-HQRMLTQVSA-N 2 1 364.917 3.459 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1OC[C@H]1CCCO1)C2 ZINC000650709784 718718103 /nfs/dbraw/zinc/71/81/03/718718103.db2.gz QIDCSELHBSGWNH-HQRMLTQVSA-N 2 1 364.917 3.459 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721927 718720052 /nfs/dbraw/zinc/72/00/52/718720052.db2.gz GDMBVROQELFYLC-FHLIZLRMSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721927 718720056 /nfs/dbraw/zinc/72/00/56/718720056.db2.gz GDMBVROQELFYLC-FHLIZLRMSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722062 718720229 /nfs/dbraw/zinc/72/02/29/718720229.db2.gz JVWJQQYANHGXRQ-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722062 718720231 /nfs/dbraw/zinc/72/02/31/718720231.db2.gz JVWJQQYANHGXRQ-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723542 718720463 /nfs/dbraw/zinc/72/04/63/718720463.db2.gz PUUMGSRRVQWOQF-QGPMSJSTSA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2sccc2Br)C1 ZINC000650723787 718721090 /nfs/dbraw/zinc/72/10/90/718721090.db2.gz UCRIPDFREITPNK-KWCYVHTRSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723577 718721143 /nfs/dbraw/zinc/72/11/43/718721143.db2.gz QILCCFNDASMKJK-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723577 718721144 /nfs/dbraw/zinc/72/11/44/718721144.db2.gz QILCCFNDASMKJK-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219723 718783541 /nfs/dbraw/zinc/78/35/41/718783541.db2.gz FWIVCQFAIYQMDD-MJGOQNOKSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219723 718783545 /nfs/dbraw/zinc/78/35/45/718783545.db2.gz FWIVCQFAIYQMDD-MJGOQNOKSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219723 718783548 /nfs/dbraw/zinc/78/35/48/718783548.db2.gz FWIVCQFAIYQMDD-MJGOQNOKSA-N 2 1 352.567 3.155 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354562 718936399 /nfs/dbraw/zinc/93/63/99/718936399.db2.gz BWFBYYMCPKPJGG-XJKSGUPXSA-N 2 1 368.319 3.227 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363961 718937229 /nfs/dbraw/zinc/93/72/29/718937229.db2.gz SVBLBJTXLYXISB-OAUYIBNBSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363961 718937230 /nfs/dbraw/zinc/93/72/30/718937230.db2.gz SVBLBJTXLYXISB-OAUYIBNBSA-N 2 1 371.294 3.449 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ncnc1-2 ZINC001164628843 719085685 /nfs/dbraw/zinc/08/56/85/719085685.db2.gz OZGWKNYTTLVPFQ-HUUCEWRRSA-N 2 1 368.872 3.107 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ncnc1-2 ZINC001164628843 719085692 /nfs/dbraw/zinc/08/56/92/719085692.db2.gz OZGWKNYTTLVPFQ-HUUCEWRRSA-N 2 1 368.872 3.107 20 0 FGADMP C[NH+](C)[C@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717920 719329414 /nfs/dbraw/zinc/32/94/14/719329414.db2.gz GANHAXIYXGDQQH-WOJBJXKFSA-N 2 1 365.949 3.176 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655758670 719335826 /nfs/dbraw/zinc/33/58/26/719335826.db2.gz WUOQUHVGASUXLV-KRWDZBQOSA-N 2 1 353.304 3.100 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000657750289 719703836 /nfs/dbraw/zinc/70/38/36/719703836.db2.gz GERUMYXINPWONO-MRXNPFEDSA-N 2 1 353.304 3.100 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000657847997 719720588 /nfs/dbraw/zinc/72/05/88/719720588.db2.gz ZEZKXQSOMSYXKC-SJORKVTESA-N 2 1 373.310 3.332 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000657847996 719720871 /nfs/dbraw/zinc/72/08/71/719720871.db2.gz ZEZKXQSOMSYXKC-IRXDYDNUSA-N 2 1 373.310 3.332 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCn4nccc43)CC2)cs1 ZINC000657877245 719724470 /nfs/dbraw/zinc/72/44/70/719724470.db2.gz AUCOLVIWPOUXPH-KRWDZBQOSA-N 2 1 359.543 3.239 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135787 719761410 /nfs/dbraw/zinc/76/14/10/719761410.db2.gz AUMZIFJSRQRKQS-NHCUHLMSSA-N 2 1 356.897 3.164 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660153728 719998179 /nfs/dbraw/zinc/99/81/79/719998179.db2.gz HEMAKDPUEBPUKJ-LPHOPBHVSA-N 2 1 367.990 3.390 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(Cl)cc1 ZINC000662312245 720414186 /nfs/dbraw/zinc/41/41/86/720414186.db2.gz AGTXXGRYIATATG-RVKKMQEKSA-N 2 1 351.922 3.357 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484052 720433550 /nfs/dbraw/zinc/43/35/50/720433550.db2.gz FKDLRIHYMIFZII-GUYCJALGSA-N 2 1 372.340 3.444 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484052 720433551 /nfs/dbraw/zinc/43/35/51/720433551.db2.gz FKDLRIHYMIFZII-GUYCJALGSA-N 2 1 372.340 3.444 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)c1ccsc1 ZINC000662679141 720451961 /nfs/dbraw/zinc/45/19/61/720451961.db2.gz MDVBPKVVQBUODA-IAGOWNOFSA-N 2 1 367.465 3.225 20 0 FGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000663498813 720519914 /nfs/dbraw/zinc/51/99/14/720519914.db2.gz GQSJZEVVBABOMO-CQSZACIVSA-N 2 1 351.292 3.302 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000665638976 720794616 /nfs/dbraw/zinc/79/46/16/720794616.db2.gz IDULMLWFPKFZSM-HOTGVXAUSA-N 2 1 368.953 3.314 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1ccccc1Cl ZINC000665638976 720794621 /nfs/dbraw/zinc/79/46/21/720794621.db2.gz IDULMLWFPKFZSM-HOTGVXAUSA-N 2 1 368.953 3.314 20 0 FGADMP C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665639339 720794651 /nfs/dbraw/zinc/79/46/51/720794651.db2.gz VKIJZBZXGZTNTO-JKSUJKDBSA-N 2 1 368.953 3.314 20 0 FGADMP C[C@H](c1cccc(Cl)c1)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665639339 720794656 /nfs/dbraw/zinc/79/46/56/720794656.db2.gz VKIJZBZXGZTNTO-JKSUJKDBSA-N 2 1 368.953 3.314 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000667735179 721166195 /nfs/dbraw/zinc/16/61/95/721166195.db2.gz LNKVIBSMUGVFMD-MSOLQXFVSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000667735179 721166200 /nfs/dbraw/zinc/16/62/00/721166200.db2.gz LNKVIBSMUGVFMD-MSOLQXFVSA-N 2 1 358.873 3.366 20 0 FGADMP Cn1ccc2c1cc[nH+]c2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897085 721522917 /nfs/dbraw/zinc/52/29/17/721522917.db2.gz DPRHYBPLGZUKAO-WMZOPIPTSA-N 2 1 366.440 3.054 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(N)c1 ZINC001165028915 721820153 /nfs/dbraw/zinc/82/01/53/721820153.db2.gz YCILGGKRZUZGAR-XKGZKEIXSA-N 2 1 351.498 3.104 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806704 721980084 /nfs/dbraw/zinc/98/00/84/721980084.db2.gz QBRUJFKYJSQLII-YJBOKZPZSA-N 2 1 368.518 3.288 20 0 FGADMP C(C[NH+]1CCOCC2(CCCC2)C1)C[N@H+]1CCOCC2(CCCC2)C1 ZINC000681476904 722206801 /nfs/dbraw/zinc/20/68/01/722206801.db2.gz YOCKGEWPNQDUFI-UHFFFAOYSA-N 2 1 350.547 3.162 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cs1 ZINC000684380508 722339103 /nfs/dbraw/zinc/33/91/03/722339103.db2.gz PDDTYYPKJHWCIH-SJLPKXTDSA-N 2 1 351.560 3.465 20 0 FGADMP COc1ccc(-n2ccn(C[NH+]3CCC(C[NH+](C)C)CC3)c2=S)cc1 ZINC000738077324 722528275 /nfs/dbraw/zinc/52/82/75/722528275.db2.gz SFZKAJYSLVWXHA-UHFFFAOYSA-N 2 1 360.527 3.248 20 0 FGADMP C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000741253398 722543871 /nfs/dbraw/zinc/54/38/71/722543871.db2.gz VUXJCFRXVURJCW-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000741253398 722543872 /nfs/dbraw/zinc/54/38/72/722543872.db2.gz VUXJCFRXVURJCW-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000741253398 722543873 /nfs/dbraw/zinc/54/38/73/722543873.db2.gz VUXJCFRXVURJCW-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385403 722545347 /nfs/dbraw/zinc/54/53/47/722545347.db2.gz FTDWORQIJDDYIO-FRQCXROJSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385403 722545348 /nfs/dbraw/zinc/54/53/48/722545348.db2.gz FTDWORQIJDDYIO-FRQCXROJSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385403 722545349 /nfs/dbraw/zinc/54/53/49/722545349.db2.gz FTDWORQIJDDYIO-FRQCXROJSA-N 2 1 354.922 3.052 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000742385863 722556690 /nfs/dbraw/zinc/55/66/90/722556690.db2.gz ZAORDRRSKBIJJJ-FUHWJXTLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCCCCCCC[NH+]2CCCC2)CC1 ZINC000747956902 722669374 /nfs/dbraw/zinc/66/93/74/722669374.db2.gz OPLWEJYUHBJBAQ-UHFFFAOYSA-N 2 1 352.567 3.158 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(Cl)cc1 ZINC000751009920 722790642 /nfs/dbraw/zinc/79/06/42/722790642.db2.gz DVZWHMFSWRCKKR-QGZVFWFLSA-N 2 1 368.978 3.385 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(C)c1C ZINC000751011980 722790655 /nfs/dbraw/zinc/79/06/55/722790655.db2.gz QOQBBOZNOUZANO-GOSISDBHSA-N 2 1 362.587 3.348 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754373882 722936198 /nfs/dbraw/zinc/93/61/98/722936198.db2.gz IDOSVVSTRHJPCL-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3c(=S)ncn3-c3ccccc3)C2)CC1 ZINC000755780384 722956865 /nfs/dbraw/zinc/95/68/65/722956865.db2.gz YGXBPJXFLKIGIP-KRWDZBQOSA-N 2 1 357.527 3.024 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c(=S)ncn3-c3ccccc3)C2)CC1 ZINC000755780384 722956866 /nfs/dbraw/zinc/95/68/66/722956866.db2.gz YGXBPJXFLKIGIP-KRWDZBQOSA-N 2 1 357.527 3.024 20 0 FGADMP CN(C(=O)c1sccc1C[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000756100099 722960932 /nfs/dbraw/zinc/96/09/32/722960932.db2.gz KCMKXABIHJKZHQ-UHFFFAOYSA-N 2 1 361.511 3.027 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000796753250 723653564 /nfs/dbraw/zinc/65/35/64/723653564.db2.gz CZINIIOWZWITGU-ZJPYXAASSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952957 723660918 /nfs/dbraw/zinc/66/09/18/723660918.db2.gz JUGRTGXNQMOOBR-DUQPFJRNSA-N 2 1 351.535 3.237 20 0 FGADMP CCc1noc(C)c1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000769860971 723698068 /nfs/dbraw/zinc/69/80/68/723698068.db2.gz ONEIXDVKNQGANQ-RHSMWYFYSA-N 2 1 362.543 3.246 20 0 FGADMP C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000797981647 723894949 /nfs/dbraw/zinc/89/49/49/723894949.db2.gz SDEZEVVVBYUREZ-DLBZAZTESA-N 2 1 353.551 3.486 20 0 FGADMP CC[N@@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000798379537 723927588 /nfs/dbraw/zinc/92/75/88/723927588.db2.gz PECTVLRERRLWSY-HNNXBMFYSA-N 2 1 354.951 3.172 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000798379537 723927590 /nfs/dbraw/zinc/92/75/90/723927590.db2.gz PECTVLRERRLWSY-HNNXBMFYSA-N 2 1 354.951 3.172 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944840 723977422 /nfs/dbraw/zinc/97/74/22/723977422.db2.gz DIPOIAZLNICHQQ-XLIONFOSSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944840 723977424 /nfs/dbraw/zinc/97/74/24/723977424.db2.gz DIPOIAZLNICHQQ-XLIONFOSSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944840 723977427 /nfs/dbraw/zinc/97/74/27/723977427.db2.gz DIPOIAZLNICHQQ-XLIONFOSSA-N 2 1 353.551 3.440 20 0 FGADMP O[C@H](C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)C[NH+]1CCCC1 ZINC000775377900 723986360 /nfs/dbraw/zinc/98/63/60/723986360.db2.gz FMBJPCLQAWMJSW-PBHICJAKSA-N 2 1 356.482 3.425 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000799174141 723995096 /nfs/dbraw/zinc/99/50/96/723995096.db2.gz CFFVAGPMBYXAAL-OAHLLOKOSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000799174141 723995097 /nfs/dbraw/zinc/99/50/97/723995097.db2.gz CFFVAGPMBYXAAL-OAHLLOKOSA-N 2 1 361.313 3.151 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775637911 724013496 /nfs/dbraw/zinc/01/34/96/724013496.db2.gz BUHAVTLXAOTPNH-MRXNPFEDSA-N 2 1 370.266 3.149 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000775637911 724013500 /nfs/dbraw/zinc/01/35/00/724013500.db2.gz BUHAVTLXAOTPNH-MRXNPFEDSA-N 2 1 370.266 3.149 20 0 FGADMP O[C@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C[NH+]1CCCC1 ZINC000775872587 724076154 /nfs/dbraw/zinc/07/61/54/724076154.db2.gz VSTBJTUMSVYDPX-IAGOWNOFSA-N 2 1 371.294 3.086 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000788593943 725074408 /nfs/dbraw/zinc/07/44/08/725074408.db2.gz JLCDPCATRJXIGZ-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000788593943 725074411 /nfs/dbraw/zinc/07/44/11/725074411.db2.gz JLCDPCATRJXIGZ-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP O[C@H](C[N@@H+](Cc1cccc(Br)c1)CC1CC1)C[NH+]1CCCC1 ZINC000789456187 725129824 /nfs/dbraw/zinc/12/98/24/725129824.db2.gz NNHZEKOQHFFFPM-SFHVURJKSA-N 2 1 367.331 3.118 20 0 FGADMP O[C@H](C[N@H+](Cc1cccc(Br)c1)CC1CC1)C[NH+]1CCCC1 ZINC000789456187 725129826 /nfs/dbraw/zinc/12/98/26/725129826.db2.gz NNHZEKOQHFFFPM-SFHVURJKSA-N 2 1 367.331 3.118 20 0 FGADMP O=C(NC1CCCC1)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000810036266 725283789 /nfs/dbraw/zinc/28/37/89/725283789.db2.gz ZIPIKLBGKABFEN-IBGZPJMESA-N 2 1 351.535 3.386 20 0 FGADMP O=C(NC1CCCC1)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000810036266 725283790 /nfs/dbraw/zinc/28/37/90/725283790.db2.gz ZIPIKLBGKABFEN-IBGZPJMESA-N 2 1 351.535 3.386 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507344 725370635 /nfs/dbraw/zinc/37/06/35/725370635.db2.gz YXPLNYLXCQPSAX-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507344 725370637 /nfs/dbraw/zinc/37/06/37/725370637.db2.gz YXPLNYLXCQPSAX-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812735899 726806926 /nfs/dbraw/zinc/80/69/26/726806926.db2.gz VQPTUUCMGZLCSU-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812735899 726806928 /nfs/dbraw/zinc/80/69/28/726806928.db2.gz VQPTUUCMGZLCSU-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812735901 726807018 /nfs/dbraw/zinc/80/70/18/726807018.db2.gz VQPTUUCMGZLCSU-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000812735901 726807020 /nfs/dbraw/zinc/80/70/20/726807020.db2.gz VQPTUUCMGZLCSU-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336121 726862643 /nfs/dbraw/zinc/86/26/43/726862643.db2.gz LRYSVGABQOHOQW-KSZLIROESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336121 726862646 /nfs/dbraw/zinc/86/26/46/726862646.db2.gz LRYSVGABQOHOQW-KSZLIROESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336121 726862650 /nfs/dbraw/zinc/86/26/50/726862650.db2.gz LRYSVGABQOHOQW-KSZLIROESA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539862 727173054 /nfs/dbraw/zinc/17/30/54/727173054.db2.gz WBDWFYHVKZCPBL-YVSFHVDLSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539862 727173059 /nfs/dbraw/zinc/17/30/59/727173059.db2.gz WBDWFYHVKZCPBL-YVSFHVDLSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1F ZINC000818963628 727331446 /nfs/dbraw/zinc/33/14/46/727331446.db2.gz WCMZNTZOPAACSL-CPUCHLNUSA-N 2 1 371.294 3.012 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080494 727345670 /nfs/dbraw/zinc/34/56/70/727345670.db2.gz GJKOHGCLQJNOSI-NJAFHUGGSA-N 2 1 356.432 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080494 727345673 /nfs/dbraw/zinc/34/56/73/727345673.db2.gz GJKOHGCLQJNOSI-NJAFHUGGSA-N 2 1 356.432 3.449 20 0 FGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882590 729228182 /nfs/dbraw/zinc/22/81/82/729228182.db2.gz KQTJZSBVYPHDQA-IAGOWNOFSA-N 2 1 357.325 3.139 20 0 FGADMP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882590 729228187 /nfs/dbraw/zinc/22/81/87/729228187.db2.gz KQTJZSBVYPHDQA-IAGOWNOFSA-N 2 1 357.325 3.139 20 0 FGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882590 729228191 /nfs/dbraw/zinc/22/81/91/729228191.db2.gz KQTJZSBVYPHDQA-IAGOWNOFSA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000822882590 729228196 /nfs/dbraw/zinc/22/81/96/729228196.db2.gz KQTJZSBVYPHDQA-IAGOWNOFSA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000822882590 729228200 /nfs/dbraw/zinc/22/82/00/729228200.db2.gz KQTJZSBVYPHDQA-IAGOWNOFSA-N 2 1 357.325 3.139 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823699071 729299508 /nfs/dbraw/zinc/29/95/08/729299508.db2.gz ZUDPOVAXFHZTKF-FGTMMUONSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000824559548 729347091 /nfs/dbraw/zinc/34/70/91/729347091.db2.gz UZYMJRALVCVJSZ-SFHVURJKSA-N 2 1 353.551 3.486 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000829443858 729480775 /nfs/dbraw/zinc/48/07/75/729480775.db2.gz HOQDQWZHRIDJEO-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831480912 729645273 /nfs/dbraw/zinc/64/52/73/729645273.db2.gz JMBDHADBXTWNDN-HNAYVOBHSA-N 2 1 369.912 3.497 20 0 FGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810346 730177633 /nfs/dbraw/zinc/17/76/33/730177633.db2.gz RWAWHJQBEIXLAU-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000844222083 730693541 /nfs/dbraw/zinc/69/35/41/730693541.db2.gz SYLPZHIUZUVEPU-OAHLLOKOSA-N 2 1 352.910 3.295 20 0 FGADMP C[C@@]1(CNC(=[NH2+])NCCc2cccs2)CCC[N@H+]1Cc1ccccc1 ZINC000849098299 731229008 /nfs/dbraw/zinc/22/90/08/731229008.db2.gz WHPVSMMHXFQFJO-FQEVSTJZSA-N 2 1 356.539 3.459 20 0 FGADMP CC(C)c1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000849276845 731240833 /nfs/dbraw/zinc/24/08/33/731240833.db2.gz RKJZNDAIYTYCCY-INIZCTEOSA-N 2 1 350.576 3.368 20 0 FGADMP CC(C)c1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000849276845 731240835 /nfs/dbraw/zinc/24/08/35/731240835.db2.gz RKJZNDAIYTYCCY-INIZCTEOSA-N 2 1 350.576 3.368 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)s1 ZINC000850344299 731344674 /nfs/dbraw/zinc/34/46/74/731344674.db2.gz FFIFIRAUQMJDPY-AWEZNQCLSA-N 2 1 364.946 3.474 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850492936 731363648 /nfs/dbraw/zinc/36/36/48/731363648.db2.gz UBZLHUJTKPFMAL-MCFWBGNESA-N 2 1 359.417 3.142 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241462 731686624 /nfs/dbraw/zinc/68/66/24/731686624.db2.gz VMURLYDJISTQDW-OKZBNKHCSA-N 2 1 351.535 3.144 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183359 732190391 /nfs/dbraw/zinc/19/03/91/732190391.db2.gz CTHPKMVGLSJHCX-XHSDSOJGSA-N 2 1 351.535 3.285 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147480 735595217 /nfs/dbraw/zinc/59/52/17/735595217.db2.gz BOJABLKHOPVYKX-AAEUAGOBSA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147480 735595218 /nfs/dbraw/zinc/59/52/18/735595218.db2.gz BOJABLKHOPVYKX-AAEUAGOBSA-N 2 1 374.794 3.002 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3nc(Cl)ccc3s1)CCO2 ZINC000877607757 736691653 /nfs/dbraw/zinc/69/16/53/736691653.db2.gz KUYPFTWSAGAVDM-UHFFFAOYSA-N 2 1 351.903 3.246 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3nc(Cl)ccc3s1)CCO2 ZINC000877607757 736691654 /nfs/dbraw/zinc/69/16/54/736691654.db2.gz KUYPFTWSAGAVDM-UHFFFAOYSA-N 2 1 351.903 3.246 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018397 736759074 /nfs/dbraw/zinc/75/90/74/736759074.db2.gz VTKNJJMWHWEAMZ-VQTJNVASSA-N 2 1 350.547 3.016 20 0 FGADMP C([C@@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878048586 736763189 /nfs/dbraw/zinc/76/31/89/736763189.db2.gz COKASMNBERZUFO-UXHICEINSA-N 2 1 350.547 3.160 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879214389 736969468 /nfs/dbraw/zinc/96/94/68/736969468.db2.gz BUAHMTLWMHTAEG-NVXWUHKLSA-N 2 1 350.507 3.064 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000879214389 736969470 /nfs/dbraw/zinc/96/94/70/736969470.db2.gz BUAHMTLWMHTAEG-NVXWUHKLSA-N 2 1 350.507 3.064 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575197 737009965 /nfs/dbraw/zinc/00/99/65/737009965.db2.gz IBTSWXOLLRNZRT-MLGOLLRUSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575197 737009968 /nfs/dbraw/zinc/00/99/68/737009968.db2.gz IBTSWXOLLRNZRT-MLGOLLRUSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575197 737009971 /nfs/dbraw/zinc/00/99/71/737009971.db2.gz IBTSWXOLLRNZRT-MLGOLLRUSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575197 737009974 /nfs/dbraw/zinc/00/99/74/737009974.db2.gz IBTSWXOLLRNZRT-MLGOLLRUSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575197 737009976 /nfs/dbraw/zinc/00/99/76/737009976.db2.gz IBTSWXOLLRNZRT-MLGOLLRUSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582516 737010527 /nfs/dbraw/zinc/01/05/27/737010527.db2.gz SEHYKCSAFYKIID-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582516 737010533 /nfs/dbraw/zinc/01/05/33/737010533.db2.gz SEHYKCSAFYKIID-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582516 737010539 /nfs/dbraw/zinc/01/05/39/737010539.db2.gz SEHYKCSAFYKIID-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000879705098 737035802 /nfs/dbraw/zinc/03/58/02/737035802.db2.gz KNQWOESWEUQOJM-FQEVSTJZSA-N 2 1 352.563 3.262 20 0 FGADMP CC(C)(O)[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](C(C)(C)O)C2)C1 ZINC000879962487 737090852 /nfs/dbraw/zinc/09/08/52/737090852.db2.gz OFYVPDXRNQSLEN-RTBURBONSA-N 2 1 354.579 3.123 20 0 FGADMP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000883279928 737545828 /nfs/dbraw/zinc/54/58/28/737545828.db2.gz LDKPUUCITLOQFB-IAGOWNOFSA-N 2 1 351.535 3.383 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC000883434751 737566421 /nfs/dbraw/zinc/56/64/21/737566421.db2.gz ZVGGMIIYLCPKDH-LZLYRXPVSA-N 2 1 367.331 3.210 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869540 739312202 /nfs/dbraw/zinc/31/22/02/739312202.db2.gz BMJQQLZCQMODSQ-LJQANCHMSA-N 2 1 365.905 3.143 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC[N@H+]1C ZINC000898162368 742751286 /nfs/dbraw/zinc/75/12/86/742751286.db2.gz QSASOUNXHOZIFR-WSDZMALLSA-N 2 1 356.432 3.084 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@H]1c1cccs1 ZINC000900829731 743180172 /nfs/dbraw/zinc/18/01/72/743180172.db2.gz XNKVZTWGDCHEMD-VXNCWWDNSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@H]1c1cccs1 ZINC000900829731 743180177 /nfs/dbraw/zinc/18/01/77/743180177.db2.gz XNKVZTWGDCHEMD-VXNCWWDNSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@H]1c1cccs1 ZINC000900829731 743180183 /nfs/dbraw/zinc/18/01/83/743180183.db2.gz XNKVZTWGDCHEMD-VXNCWWDNSA-N 2 1 361.555 3.264 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)CC2)cs1 ZINC000902349211 743735373 /nfs/dbraw/zinc/73/53/73/743735373.db2.gz XMUWPQMAUNZZBE-KRWDZBQOSA-N 3 1 364.603 3.285 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902832357 743778782 /nfs/dbraw/zinc/77/87/82/743778782.db2.gz UMKVLAAKFGFWSC-CTNGQTDRSA-N 2 1 352.563 3.451 20 0 FGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903757111 743881152 /nfs/dbraw/zinc/88/11/52/743881152.db2.gz XWZDTNMAKURIJS-UWVAXJGDSA-N 2 1 364.917 3.199 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)CCC(F)(F)F ZINC000904598409 743963785 /nfs/dbraw/zinc/96/37/85/743963785.db2.gz ZQUOZCMLZBMFGU-UHFFFAOYSA-N 2 1 360.424 3.276 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(F)(F)F ZINC000905135133 743995555 /nfs/dbraw/zinc/99/55/55/743995555.db2.gz VJMQSXMIBFGMRG-YUELXQCFSA-N 2 1 350.450 3.424 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(F)(F)F ZINC000905135133 743995558 /nfs/dbraw/zinc/99/55/58/743995558.db2.gz VJMQSXMIBFGMRG-YUELXQCFSA-N 2 1 350.450 3.424 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389308 758910522 /nfs/dbraw/zinc/91/05/22/758910522.db2.gz IPXJNQSUEAXXNG-PHNROFDPSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390132 758911260 /nfs/dbraw/zinc/91/12/60/758911260.db2.gz KUPAXNISTHIDOP-LVQVYYBASA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391714 758911715 /nfs/dbraw/zinc/91/17/15/758911715.db2.gz GKSNOFGDSQRPMC-WWNBULGVSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922395656 758914707 /nfs/dbraw/zinc/91/47/07/758914707.db2.gz YBWSTJUWAGNGTP-VVWQDTPRSA-N 2 1 351.560 3.226 20 0 FGADMP CCN(C(C)=O)c1nc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cs1 ZINC000922847758 759014735 /nfs/dbraw/zinc/01/47/35/759014735.db2.gz DUBHQFHXBVXHBY-UHFFFAOYSA-N 2 1 350.532 3.013 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508093 759135239 /nfs/dbraw/zinc/13/52/39/759135239.db2.gz UDPXXYFCSARLJJ-SJLPKXTDSA-N 2 1 364.555 3.253 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923506432 759135327 /nfs/dbraw/zinc/13/53/27/759135327.db2.gz FMVLGJWSQDBIGT-MNOVXSKESA-N 2 1 363.811 3.214 20 0 FGADMP C[C@H]1[C@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@H+]1Cc1ccccc1 ZINC000925750889 759532105 /nfs/dbraw/zinc/53/21/05/759532105.db2.gz VZJSFCSZLHRFKO-MAUKXSAKSA-N 2 1 356.539 3.013 20 0 FGADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925775317 759534744 /nfs/dbraw/zinc/53/47/44/759534744.db2.gz FPVOOXPQXBZUQE-ZANVPECISA-N 2 1 363.221 3.410 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(=O)NCc1cccs1 ZINC000926638669 759794653 /nfs/dbraw/zinc/79/46/53/759794653.db2.gz VTZHMYCCUDNIMN-GOSISDBHSA-N 2 1 351.560 3.243 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000998013176 765091595 /nfs/dbraw/zinc/09/15/95/765091595.db2.gz PSQAHBULGFWSLI-BHIYHBOVSA-N 2 1 363.571 3.291 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000998013176 765091603 /nfs/dbraw/zinc/09/16/03/765091603.db2.gz PSQAHBULGFWSLI-BHIYHBOVSA-N 2 1 363.571 3.291 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000998013176 765091611 /nfs/dbraw/zinc/09/16/11/765091611.db2.gz PSQAHBULGFWSLI-BHIYHBOVSA-N 2 1 363.571 3.291 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+](Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001023381589 766036262 /nfs/dbraw/zinc/03/62/62/766036262.db2.gz QKAYPUCTKFZJQJ-NZSAHSFTSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001023381589 766036269 /nfs/dbraw/zinc/03/62/69/766036269.db2.gz QKAYPUCTKFZJQJ-NZSAHSFTSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001023381589 766036276 /nfs/dbraw/zinc/03/62/76/766036276.db2.gz QKAYPUCTKFZJQJ-NZSAHSFTSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[NH+](Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001033837312 766223212 /nfs/dbraw/zinc/22/32/12/766223212.db2.gz HBWYSBZRIRJPOC-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001033837312 766223216 /nfs/dbraw/zinc/22/32/16/766223216.db2.gz HBWYSBZRIRJPOC-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CC[N@@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001033837312 766223218 /nfs/dbraw/zinc/22/32/18/766223218.db2.gz HBWYSBZRIRJPOC-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](C/C=C\Cl)C3)CC2)CC[N@H+]1C ZINC001039133479 766292265 /nfs/dbraw/zinc/29/22/65/766292265.db2.gz SZBCUKCRMWYARK-IDQAAPELSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[N@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC001039133479 766292270 /nfs/dbraw/zinc/29/22/70/766292270.db2.gz SZBCUKCRMWYARK-IDQAAPELSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[N@@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC001039133479 766292274 /nfs/dbraw/zinc/29/22/74/766292274.db2.gz SZBCUKCRMWYARK-IDQAAPELSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC4(CCCO4)CC3)c2)CCO1 ZINC000376398080 257468719 /nfs/dbraw/zinc/46/87/19/257468719.db2.gz FXGSYYQVGDJNCD-OSFYOIPJSA-N 2 1 358.526 3.489 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CCCO4)CC3)c2)CCO1 ZINC000376398080 257468720 /nfs/dbraw/zinc/46/87/20/257468720.db2.gz FXGSYYQVGDJNCD-OSFYOIPJSA-N 2 1 358.526 3.489 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000579659278 505595563 /nfs/dbraw/zinc/59/55/63/505595563.db2.gz WSRVDUOBBHCTGL-MSOLQXFVSA-N 2 1 364.534 3.226 20 0 FGADMP Cc1ccc2cc[nH+]c(NCc3cccc(C(=O)NCC[NH+](C)C)c3)c2c1 ZINC000573717418 505603441 /nfs/dbraw/zinc/60/34/41/505603441.db2.gz IRVWKWOBXQHLMK-UHFFFAOYSA-N 2 1 362.477 3.447 20 0 FGADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000568050916 505603904 /nfs/dbraw/zinc/60/39/04/505603904.db2.gz NBHZTTYOXABLQA-APPDUMDISA-N 2 1 353.919 3.393 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570964360 505621876 /nfs/dbraw/zinc/62/18/76/505621876.db2.gz PXHCGIRJKRVSFQ-QNWVGRARSA-N 2 1 369.553 3.356 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC=C(c4ccco4)C3)CC2)CC1 ZINC000577002272 505642944 /nfs/dbraw/zinc/64/29/44/505642944.db2.gz FPSATIUUBONJSK-UHFFFAOYSA-N 2 1 371.525 3.092 20 0 FGADMP COC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000571064527 505645392 /nfs/dbraw/zinc/64/53/92/505645392.db2.gz AFGMJBXDAIUWFR-NRFANRHFSA-N 2 1 372.553 3.464 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000580061658 505672236 /nfs/dbraw/zinc/67/22/36/505672236.db2.gz YGJZCLLKFNITHS-KRWDZBQOSA-N 2 1 374.529 3.065 20 0 FGADMP CCCOc1c(Br)cc(C[N@H+](C)CCC[NH3+])cc1OCC ZINC000577179167 505681059 /nfs/dbraw/zinc/68/10/59/505681059.db2.gz ZZKOUWAKWLHPOE-UHFFFAOYSA-N 2 1 359.308 3.417 20 0 FGADMP CCCOc1c(Br)cc(C[N@@H+](C)CCC[NH3+])cc1OCC ZINC000577179167 505681064 /nfs/dbraw/zinc/68/10/64/505681064.db2.gz ZZKOUWAKWLHPOE-UHFFFAOYSA-N 2 1 359.308 3.417 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000568388229 505682559 /nfs/dbraw/zinc/68/25/59/505682559.db2.gz LAWDBCSEIKTEET-IHMNZUQTSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000568388229 505682560 /nfs/dbraw/zinc/68/25/60/505682560.db2.gz LAWDBCSEIKTEET-IHMNZUQTSA-N 2 1 363.933 3.227 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076110221 493824409 /nfs/dbraw/zinc/82/44/09/493824409.db2.gz UFONDRQFNPFCHN-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076110221 493824411 /nfs/dbraw/zinc/82/44/11/493824411.db2.gz UFONDRQFNPFCHN-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076110221 493824416 /nfs/dbraw/zinc/82/44/16/493824416.db2.gz UFONDRQFNPFCHN-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120280 493827366 /nfs/dbraw/zinc/82/73/66/493827366.db2.gz QGGSXBVKOQDNIK-VQIMIIECSA-N 2 1 361.530 3.350 20 0 FGADMP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120280 493827371 /nfs/dbraw/zinc/82/73/71/493827371.db2.gz QGGSXBVKOQDNIK-VQIMIIECSA-N 2 1 361.530 3.350 20 0 FGADMP Cc1ccccc1C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076454225 493895970 /nfs/dbraw/zinc/89/59/70/493895970.db2.gz LYXHIWCYFCJOTJ-UHFFFAOYSA-N 2 1 365.521 3.339 20 0 FGADMP Cc1ccccc1C[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076454225 493895978 /nfs/dbraw/zinc/89/59/78/493895978.db2.gz LYXHIWCYFCJOTJ-UHFFFAOYSA-N 2 1 365.521 3.339 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc1OCc1ccncc1 ZINC000030906894 493912686 /nfs/dbraw/zinc/91/26/86/493912686.db2.gz KHJVAMDIPMASGZ-IBGZPJMESA-N 2 1 367.493 3.243 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000069160236 493929563 /nfs/dbraw/zinc/92/95/63/493929563.db2.gz FXJLOHOAGNWPQS-IBGZPJMESA-N 2 1 369.509 3.491 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635261 493934872 /nfs/dbraw/zinc/93/48/72/493934872.db2.gz LIJIHOPXCQZRDZ-QGZVFWFLSA-N 2 1 363.933 3.010 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635261 493934874 /nfs/dbraw/zinc/93/48/74/493934874.db2.gz LIJIHOPXCQZRDZ-QGZVFWFLSA-N 2 1 363.933 3.010 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635261 493934875 /nfs/dbraw/zinc/93/48/75/493934875.db2.gz LIJIHOPXCQZRDZ-QGZVFWFLSA-N 2 1 363.933 3.010 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000061864882 493996853 /nfs/dbraw/zinc/99/68/53/493996853.db2.gz ODRKXBYWUNUFJE-UHFFFAOYSA-N 2 1 368.525 3.199 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)c1 ZINC000061864523 493996914 /nfs/dbraw/zinc/99/69/14/493996914.db2.gz LTYZIIBTDUYFSP-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000061864523 493996916 /nfs/dbraw/zinc/99/69/16/493996916.db2.gz LTYZIIBTDUYFSP-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000061864523 493996922 /nfs/dbraw/zinc/99/69/22/493996922.db2.gz LTYZIIBTDUYFSP-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000577252198 505694328 /nfs/dbraw/zinc/69/43/28/505694328.db2.gz VWYWNASSGBSDGU-IBGZPJMESA-N 2 1 360.546 3.115 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000580173299 505695773 /nfs/dbraw/zinc/69/57/73/505695773.db2.gz XQFHRYICSVVKQC-SFHVURJKSA-N 2 1 360.546 3.106 20 0 FGADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000063464518 494057255 /nfs/dbraw/zinc/05/72/55/494057255.db2.gz LAFUNDLEVKDGJO-NRFANRHFSA-N 2 1 374.573 3.317 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284334 505698137 /nfs/dbraw/zinc/69/81/37/505698137.db2.gz RPUCIKKTPDWZJD-RBUKOAKNSA-N 2 1 370.468 3.455 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284334 505698139 /nfs/dbraw/zinc/69/81/39/505698139.db2.gz RPUCIKKTPDWZJD-RBUKOAKNSA-N 2 1 370.468 3.455 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648835 494108070 /nfs/dbraw/zinc/10/80/70/494108070.db2.gz DXOQNZZFPJXIBM-QWHCGFSZSA-N 2 1 370.278 3.426 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000071923567 494108384 /nfs/dbraw/zinc/10/83/84/494108384.db2.gz ICFOGGIBCRVDGX-IBGZPJMESA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H](C1CC1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000064508647 494129504 /nfs/dbraw/zinc/12/95/04/494129504.db2.gz PJMFNNMIGFMVJY-KRWDZBQOSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000571308419 505703626 /nfs/dbraw/zinc/70/36/26/505703626.db2.gz KIKZZCTTXFTMNL-YHYVQYDKSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000571308419 505703629 /nfs/dbraw/zinc/70/36/29/505703629.db2.gz KIKZZCTTXFTMNL-YHYVQYDKSA-N 2 1 356.485 3.372 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)[nH+]1 ZINC000077811230 494183792 /nfs/dbraw/zinc/18/37/92/494183792.db2.gz SZIWHXUNLUKKAQ-SFHVURJKSA-N 2 1 373.545 3.096 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC[C@@H]3CCC[N@H+](C(C)C)C3)CC2)[nH+]1 ZINC000077811230 494183797 /nfs/dbraw/zinc/18/37/97/494183797.db2.gz SZIWHXUNLUKKAQ-SFHVURJKSA-N 2 1 373.545 3.096 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc3[nH]ccc3c2)c2cccs2)CC1 ZINC000580212559 505705682 /nfs/dbraw/zinc/70/56/82/505705682.db2.gz QGJZUCQSJXVRQO-LJQANCHMSA-N 2 1 354.523 3.308 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000065518595 494207367 /nfs/dbraw/zinc/20/73/67/494207367.db2.gz DENXUZULTMDHOE-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000065527099 494210161 /nfs/dbraw/zinc/21/01/61/494210161.db2.gz RHNLZAHSSMQZPA-HDICACEKSA-N 2 1 374.573 3.304 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000054510332 494242083 /nfs/dbraw/zinc/24/20/83/494242083.db2.gz DNMFMDXAQGJNJU-QUCCMNQESA-N 2 1 360.546 3.101 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000054509963 494242442 /nfs/dbraw/zinc/24/24/42/494242442.db2.gz CWNBKQODBPNXTD-FQEVSTJZSA-N 2 1 360.546 3.060 20 0 FGADMP CC[NH+]1CCN(c2ccccc2NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000072848363 494264915 /nfs/dbraw/zinc/26/49/15/494264915.db2.gz ADMKRGDKBSBWGB-UHFFFAOYSA-N 2 1 369.513 3.177 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000054763871 494267974 /nfs/dbraw/zinc/26/79/74/494267974.db2.gz KSOWHIICGZQBJE-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054763871 494267978 /nfs/dbraw/zinc/26/79/78/494267978.db2.gz KSOWHIICGZQBJE-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054763871 494267981 /nfs/dbraw/zinc/26/79/81/494267981.db2.gz KSOWHIICGZQBJE-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859346 494268857 /nfs/dbraw/zinc/26/88/57/494268857.db2.gz AIGYMGCDZBUZEN-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859346 494268860 /nfs/dbraw/zinc/26/88/60/494268860.db2.gz AIGYMGCDZBUZEN-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859346 494268862 /nfs/dbraw/zinc/26/88/62/494268862.db2.gz AIGYMGCDZBUZEN-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594438 494327792 /nfs/dbraw/zinc/32/77/92/494327792.db2.gz AZDOSTDZLOJTNH-IBGZPJMESA-N 2 1 373.541 3.053 20 0 FGADMP c1ccc(N2CCC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)CC2)cc1 ZINC000089595025 494328812 /nfs/dbraw/zinc/32/88/12/494328812.db2.gz LRTKTOJIYMSRGT-UHFFFAOYSA-N 2 1 357.542 3.280 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089701596 494345795 /nfs/dbraw/zinc/34/57/95/494345795.db2.gz KDTBYMINWJTBLG-YVEFUNNKSA-N 2 1 370.324 3.158 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000089701596 494345800 /nfs/dbraw/zinc/34/58/00/494345800.db2.gz KDTBYMINWJTBLG-YVEFUNNKSA-N 2 1 370.324 3.158 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000066568523 494357424 /nfs/dbraw/zinc/35/74/24/494357424.db2.gz ZNMCWEQTDZPGLG-UHFFFAOYSA-N 2 1 363.933 3.106 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000073724189 494419154 /nfs/dbraw/zinc/41/91/54/494419154.db2.gz OYTDKOGARWWMNC-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082449 494438733 /nfs/dbraw/zinc/43/87/33/494438733.db2.gz OCLJWGWWIXYNAJ-GWCFXTLKSA-N 2 1 351.800 3.062 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079393781 494446326 /nfs/dbraw/zinc/44/63/26/494446326.db2.gz DTLYKSXBBBWYBO-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(OC)c1 ZINC000090523350 494477918 /nfs/dbraw/zinc/47/79/18/494477918.db2.gz HMBVFTYKUDHHOH-YSSFQJQWSA-N 2 1 362.514 3.122 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1F ZINC000090523329 494478367 /nfs/dbraw/zinc/47/83/67/494478367.db2.gz KGAXXMWJYNOUGM-KYNGSXCRSA-N 2 1 350.478 3.253 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080118274 494601980 /nfs/dbraw/zinc/60/19/80/494601980.db2.gz CTSOUIGJWGURKP-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118274 494601985 /nfs/dbraw/zinc/60/19/85/494601985.db2.gz CTSOUIGJWGURKP-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118274 494601991 /nfs/dbraw/zinc/60/19/91/494601991.db2.gz CTSOUIGJWGURKP-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080118251 494602097 /nfs/dbraw/zinc/60/20/97/494602097.db2.gz CTSOUIGJWGURKP-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118251 494602098 /nfs/dbraw/zinc/60/20/98/494602098.db2.gz CTSOUIGJWGURKP-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118251 494602104 /nfs/dbraw/zinc/60/21/04/494602104.db2.gz CTSOUIGJWGURKP-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000131501917 494639576 /nfs/dbraw/zinc/63/95/76/494639576.db2.gz ARFBRROFUNSGMC-DZGCQCFKSA-N 2 1 373.310 3.476 20 0 FGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)Cc1cccc(F)c1 ZINC000116397151 494773160 /nfs/dbraw/zinc/77/31/60/494773160.db2.gz JXOOXWYQBABCLF-MAUKXSAKSA-N 2 1 351.510 3.129 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000116431708 494785289 /nfs/dbraw/zinc/78/52/89/494785289.db2.gz VNQWODYAWSZSLC-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000116431708 494785299 /nfs/dbraw/zinc/78/52/99/494785299.db2.gz VNQWODYAWSZSLC-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000116431708 494785307 /nfs/dbraw/zinc/78/53/07/494785307.db2.gz VNQWODYAWSZSLC-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000047883935 494787731 /nfs/dbraw/zinc/78/77/31/494787731.db2.gz JCHQMKHLYFGGQM-UHFFFAOYSA-N 2 1 360.546 3.199 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000126675922 494817906 /nfs/dbraw/zinc/81/79/06/494817906.db2.gz AFOPFFGUUAYUCV-NRFANRHFSA-N 2 1 369.509 3.433 20 0 FGADMP CCc1ccc(C2=CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000093263164 494854066 /nfs/dbraw/zinc/85/40/66/494854066.db2.gz VBPOCWPPLYARRL-UHFFFAOYSA-N 2 1 367.537 3.081 20 0 FGADMP CCc1ccc(C2=CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000093263164 494854073 /nfs/dbraw/zinc/85/40/73/494854073.db2.gz VBPOCWPPLYARRL-UHFFFAOYSA-N 2 1 367.537 3.081 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000093564198 494901429 /nfs/dbraw/zinc/90/14/29/494901429.db2.gz ZNMJSQCUDWGSLZ-HXUWFJFHSA-N 2 1 374.525 3.306 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1C ZINC000093564198 494901430 /nfs/dbraw/zinc/90/14/30/494901430.db2.gz ZNMJSQCUDWGSLZ-HXUWFJFHSA-N 2 1 374.525 3.306 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639586 494906380 /nfs/dbraw/zinc/90/63/80/494906380.db2.gz FIVBXEXYYUPLFO-DNVCBOLYSA-N 2 1 358.486 3.119 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639586 494906381 /nfs/dbraw/zinc/90/63/81/494906381.db2.gz FIVBXEXYYUPLFO-DNVCBOLYSA-N 2 1 358.486 3.119 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639586 494906384 /nfs/dbraw/zinc/90/63/84/494906384.db2.gz FIVBXEXYYUPLFO-DNVCBOLYSA-N 2 1 358.486 3.119 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752988 494916566 /nfs/dbraw/zinc/91/65/66/494916566.db2.gz IDEJGTWMUOZVJD-SFHVURJKSA-N 2 1 358.486 3.121 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752988 494916571 /nfs/dbraw/zinc/91/65/71/494916571.db2.gz IDEJGTWMUOZVJD-SFHVURJKSA-N 2 1 358.486 3.121 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752988 494916575 /nfs/dbraw/zinc/91/65/75/494916575.db2.gz IDEJGTWMUOZVJD-SFHVURJKSA-N 2 1 358.486 3.121 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752988 494916577 /nfs/dbraw/zinc/91/65/77/494916577.db2.gz IDEJGTWMUOZVJD-SFHVURJKSA-N 2 1 358.486 3.121 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000109789636 494917502 /nfs/dbraw/zinc/91/75/02/494917502.db2.gz ITFJNPROLVSDGB-UHFFFAOYSA-N 2 1 357.542 3.186 20 0 FGADMP CCN(Cc1cc(C(=O)OC)n(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568681399 505751268 /nfs/dbraw/zinc/75/12/68/505751268.db2.gz IIPZJBWNEFSVTD-LJQANCHMSA-N 2 1 369.509 3.156 20 0 FGADMP CC[NH+](Cc1cc(C(=O)OC)n(C)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568681399 505751276 /nfs/dbraw/zinc/75/12/76/505751276.db2.gz IIPZJBWNEFSVTD-LJQANCHMSA-N 2 1 369.509 3.156 20 0 FGADMP CC[NH+](Cc1cc(C(=O)OC)n(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568681399 505751277 /nfs/dbraw/zinc/75/12/77/505751277.db2.gz IIPZJBWNEFSVTD-LJQANCHMSA-N 2 1 369.509 3.156 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000118031657 494971889 /nfs/dbraw/zinc/97/18/89/494971889.db2.gz XXLBSJZBJYRRRW-KRWDZBQOSA-N 2 1 374.529 3.074 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000118030019 494971987 /nfs/dbraw/zinc/97/19/87/494971987.db2.gz SETNZKCDWIFAGE-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000118030019 494971988 /nfs/dbraw/zinc/97/19/88/494971988.db2.gz SETNZKCDWIFAGE-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000097257249 495029454 /nfs/dbraw/zinc/02/94/54/495029454.db2.gz YTAXEYMVUVRPSU-QGZVFWFLSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000118759316 495032064 /nfs/dbraw/zinc/03/20/64/495032064.db2.gz DLAUEJKXBLRPNK-UHFFFAOYSA-N 2 1 354.498 3.309 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000111231501 495050981 /nfs/dbraw/zinc/05/09/81/495050981.db2.gz LOSMZTBZUSBKOT-QFIPXVFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000111231501 495050982 /nfs/dbraw/zinc/05/09/82/495050982.db2.gz LOSMZTBZUSBKOT-QFIPXVFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000111231382 495051368 /nfs/dbraw/zinc/05/13/68/495051368.db2.gz YHMWKLFXAMQAOL-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000111231382 495051372 /nfs/dbraw/zinc/05/13/72/495051372.db2.gz YHMWKLFXAMQAOL-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548388 505759107 /nfs/dbraw/zinc/75/91/07/505759107.db2.gz SLNHWFCTMJYFJS-RBUKOAKNSA-N 2 1 355.482 3.101 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548388 505759110 /nfs/dbraw/zinc/75/91/10/505759110.db2.gz SLNHWFCTMJYFJS-RBUKOAKNSA-N 2 1 355.482 3.101 20 0 FGADMP CC[NH+]1CCN(CCC(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000101644727 495088804 /nfs/dbraw/zinc/08/88/04/495088804.db2.gz FTLRZXILDGHBBQ-LJQANCHMSA-N 2 1 372.557 3.027 20 0 FGADMP CCN1CC[NH+](CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000101644727 495088808 /nfs/dbraw/zinc/08/88/08/495088808.db2.gz FTLRZXILDGHBBQ-LJQANCHMSA-N 2 1 372.557 3.027 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000111611988 495089986 /nfs/dbraw/zinc/08/99/86/495089986.db2.gz JGERSMHFWKRSNY-TVFCKZIOSA-N 2 1 359.514 3.280 20 0 FGADMP c1sc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc1-c1ccccc1 ZINC000134099382 495105120 /nfs/dbraw/zinc/10/51/20/495105120.db2.gz RAZIGSIPNYRCFY-UHFFFAOYSA-N 2 1 357.523 3.354 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617073 495125111 /nfs/dbraw/zinc/12/51/11/495125111.db2.gz BYRVFOUAKWEHJX-KRWDZBQOSA-N 2 1 358.555 3.488 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000577605837 505762782 /nfs/dbraw/zinc/76/27/82/505762782.db2.gz XEPJFWLRGRINST-JXFKEZNVSA-N 2 1 358.530 3.303 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000128668509 495132596 /nfs/dbraw/zinc/13/25/96/495132596.db2.gz MZWJIYKKWFXIRS-HNNXBMFYSA-N 2 1 359.436 3.263 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000128720522 495140740 /nfs/dbraw/zinc/14/07/40/495140740.db2.gz IHUJFCVUXYSMFV-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CN(C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1nc2ccccc2s1 ZINC000123521047 495146276 /nfs/dbraw/zinc/14/62/76/495146276.db2.gz OCPTVHZAOIYJRT-UHFFFAOYSA-N 2 1 374.554 3.313 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000128861508 495160623 /nfs/dbraw/zinc/16/06/23/495160623.db2.gz SQRRANFNIYOJMQ-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000128861508 495160624 /nfs/dbraw/zinc/16/06/24/495160624.db2.gz SQRRANFNIYOJMQ-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](C)C1CC[NH+](CCC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000134984882 495234711 /nfs/dbraw/zinc/23/47/11/495234711.db2.gz AAWGUZIQBARMMJ-UHFFFAOYSA-N 2 1 365.521 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000119794251 495242299 /nfs/dbraw/zinc/24/22/99/495242299.db2.gz ZUJGPKCGSQKYOT-YKCBXCCJSA-N 2 1 365.949 3.032 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000129511918 495255727 /nfs/dbraw/zinc/25/57/27/495255727.db2.gz ZHGPVWIBOJJGLT-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000129511918 495255729 /nfs/dbraw/zinc/25/57/29/495255729.db2.gz ZHGPVWIBOJJGLT-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000129511918 495255731 /nfs/dbraw/zinc/25/57/31/495255731.db2.gz ZHGPVWIBOJJGLT-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000129511918 495255733 /nfs/dbraw/zinc/25/57/33/495255733.db2.gz ZHGPVWIBOJJGLT-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccnc3)CC2)c1C ZINC000104074503 495267490 /nfs/dbraw/zinc/26/74/90/495267490.db2.gz DTAJZRRWZIASIV-UHFFFAOYSA-N 2 1 354.498 3.198 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccnc3)CC2)c1C ZINC000104074503 495267493 /nfs/dbraw/zinc/26/74/93/495267493.db2.gz DTAJZRRWZIASIV-UHFFFAOYSA-N 2 1 354.498 3.198 20 0 FGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124511466 495299845 /nfs/dbraw/zinc/29/98/45/495299845.db2.gz ZQDHCYLSDOFZKP-OAHLLOKOSA-N 2 1 353.938 3.273 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000129923143 495314538 /nfs/dbraw/zinc/31/45/38/495314538.db2.gz NOCQBPMIVZPBTF-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000129923143 495314543 /nfs/dbraw/zinc/31/45/43/495314543.db2.gz NOCQBPMIVZPBTF-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619656 495322138 /nfs/dbraw/zinc/32/21/38/495322138.db2.gz GAJQCNPKTIUNOO-OALUTQOASA-N 2 1 372.557 3.291 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083442 495334828 /nfs/dbraw/zinc/33/48/28/495334828.db2.gz CJYMSAMDDZAUPQ-PZJWPPBQSA-N 2 1 374.573 3.489 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000105128159 495339062 /nfs/dbraw/zinc/33/90/62/495339062.db2.gz VFEOMPKGGFFAOE-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000105128159 495339065 /nfs/dbraw/zinc/33/90/65/495339065.db2.gz VFEOMPKGGFFAOE-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000105128159 495339068 /nfs/dbraw/zinc/33/90/68/495339068.db2.gz VFEOMPKGGFFAOE-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+](C)C1CC1 ZINC000105269533 495350852 /nfs/dbraw/zinc/35/08/52/495350852.db2.gz AURUXWVQFOJJLC-SFHVURJKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000105269533 495350854 /nfs/dbraw/zinc/35/08/54/495350854.db2.gz AURUXWVQFOJJLC-SFHVURJKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000105269533 495350858 /nfs/dbraw/zinc/35/08/58/495350858.db2.gz AURUXWVQFOJJLC-SFHVURJKSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000124932953 495366301 /nfs/dbraw/zinc/36/63/01/495366301.db2.gz IPCONCZSEQZOJB-PMACEKPBSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000124932953 495366308 /nfs/dbraw/zinc/36/63/08/495366308.db2.gz IPCONCZSEQZOJB-PMACEKPBSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000124932953 495366314 /nfs/dbraw/zinc/36/63/14/495366314.db2.gz IPCONCZSEQZOJB-PMACEKPBSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571630280 505777555 /nfs/dbraw/zinc/77/75/55/505777555.db2.gz KOEZXOJWDRMFSO-OALUTQOASA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000114457104 495377122 /nfs/dbraw/zinc/37/71/22/495377122.db2.gz GMVPRQFZNMTLCT-QGZVFWFLSA-N 2 1 363.933 3.118 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)CCc1ccccn1)C1CC[NH+](C)CC1 ZINC000120829230 495466425 /nfs/dbraw/zinc/46/64/25/495466425.db2.gz YKGDGGXIUKEDNA-UHFFFAOYSA-N 2 1 352.526 3.287 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000115444282 495505097 /nfs/dbraw/zinc/50/50/97/495505097.db2.gz SVKMOIWJLKFBPT-LJQANCHMSA-N 2 1 357.523 3.132 20 0 FGADMP c1ccc(-n2nc(C[N@@H+]3CC[C@H](Oc4ccncc4)C3)c3c2CCC3)cc1 ZINC000154156737 495530164 /nfs/dbraw/zinc/53/01/64/495530164.db2.gz XLXACVQVZNWHPR-IBGZPJMESA-N 2 1 360.461 3.409 20 0 FGADMP c1ccc(-n2nc(C[N@H+]3CC[C@H](Oc4ccncc4)C3)c3c2CCC3)cc1 ZINC000154156737 495530165 /nfs/dbraw/zinc/53/01/65/495530165.db2.gz XLXACVQVZNWHPR-IBGZPJMESA-N 2 1 360.461 3.409 20 0 FGADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362671 495533922 /nfs/dbraw/zinc/53/39/22/495533922.db2.gz NPDFUKVYEODCFC-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)[C@H](C)C1 ZINC000154176061 495535578 /nfs/dbraw/zinc/53/55/78/495535578.db2.gz OCVHOGCYVIKHJA-UWVAXJGDSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)[C@H](C)C1 ZINC000154176061 495535583 /nfs/dbraw/zinc/53/55/83/495535583.db2.gz OCVHOGCYVIKHJA-UWVAXJGDSA-N 2 1 364.530 3.491 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154473921 495627357 /nfs/dbraw/zinc/62/73/57/495627357.db2.gz NWMPSNBVBMMXAI-INIZCTEOSA-N 2 1 353.938 3.417 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000158976967 495627627 /nfs/dbraw/zinc/62/76/27/495627627.db2.gz SFUYDIKTOJSDKF-FUHWJXTLSA-N 2 1 356.457 3.422 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182616576 495637536 /nfs/dbraw/zinc/63/75/36/495637536.db2.gz SICLVNLENVDZGT-IPMKNSEASA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000182616576 495637541 /nfs/dbraw/zinc/63/75/41/495637541.db2.gz SICLVNLENVDZGT-IPMKNSEASA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000182616576 495637547 /nfs/dbraw/zinc/63/75/47/495637547.db2.gz SICLVNLENVDZGT-IPMKNSEASA-N 2 1 364.578 3.059 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000179587551 495650417 /nfs/dbraw/zinc/65/04/17/495650417.db2.gz BBIJFAACKAACLJ-MJGOQNOKSA-N 2 1 363.933 3.464 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081679 495653446 /nfs/dbraw/zinc/65/34/46/495653446.db2.gz SMUJPMWIKQEZTJ-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081679 495653451 /nfs/dbraw/zinc/65/34/51/495653451.db2.gz SMUJPMWIKQEZTJ-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081679 495653454 /nfs/dbraw/zinc/65/34/54/495653454.db2.gz SMUJPMWIKQEZTJ-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081679 495653459 /nfs/dbraw/zinc/65/34/59/495653459.db2.gz SMUJPMWIKQEZTJ-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173752418 495677163 /nfs/dbraw/zinc/67/71/63/495677163.db2.gz CYYFHSDNLMZFTH-XLIONFOSSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173752418 495677170 /nfs/dbraw/zinc/67/71/70/495677170.db2.gz CYYFHSDNLMZFTH-XLIONFOSSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173752418 495677174 /nfs/dbraw/zinc/67/71/74/495677174.db2.gz CYYFHSDNLMZFTH-XLIONFOSSA-N 2 1 360.546 3.151 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000182780276 495700335 /nfs/dbraw/zinc/70/03/35/495700335.db2.gz RCGSIYLLOGCLTP-GOSISDBHSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000182780276 495700341 /nfs/dbraw/zinc/70/03/41/495700341.db2.gz RCGSIYLLOGCLTP-GOSISDBHSA-N 2 1 372.557 3.026 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)N3CCc4ccccc43)C2)CC1 ZINC000154712476 495704015 /nfs/dbraw/zinc/70/40/15/495704015.db2.gz ATXLFKSSWMHCQI-FQEVSTJZSA-N 2 1 369.553 3.410 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)c1 ZINC000173815400 495705056 /nfs/dbraw/zinc/70/50/56/495705056.db2.gz NDRIUFLHWRCVAZ-JOCHJYFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823515 495708386 /nfs/dbraw/zinc/70/83/86/495708386.db2.gz IVMUIYNJFYANIB-KBAYOESNSA-N 2 1 366.575 3.255 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000151135423 495749072 /nfs/dbraw/zinc/74/90/72/495749072.db2.gz LNUSSOIPXVVOAD-MRXNPFEDSA-N 2 1 374.554 3.233 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000151135423 495749077 /nfs/dbraw/zinc/74/90/77/495749077.db2.gz LNUSSOIPXVVOAD-MRXNPFEDSA-N 2 1 374.554 3.233 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000173948588 495759417 /nfs/dbraw/zinc/75/94/17/495759417.db2.gz RZFHTBFBANHOCY-IBGZPJMESA-N 2 1 373.541 3.207 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154891076 495763569 /nfs/dbraw/zinc/76/35/69/495763569.db2.gz WOCKOJARZXRFBV-KRWDZBQOSA-N 2 1 358.404 3.273 20 0 FGADMP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182937319 495765068 /nfs/dbraw/zinc/76/50/68/495765068.db2.gz XUOJHYFMARBGIZ-IEBWSBKVSA-N 2 1 364.578 3.013 20 0 FGADMP c1sc(-c2ccccn2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958995 495765610 /nfs/dbraw/zinc/76/56/10/495765610.db2.gz BGOVXJZAMSTVOG-UHFFFAOYSA-N 2 1 372.538 3.282 20 0 FGADMP CN(CC(=O)Nc1ccc(Cl)cn1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977302 495771280 /nfs/dbraw/zinc/77/12/80/495771280.db2.gz SXQSUYKWXWNVIX-KRWDZBQOSA-N 2 1 372.900 3.127 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000151357454 495813999 /nfs/dbraw/zinc/81/39/99/495813999.db2.gz RCTULOLSWLSOOL-GFCCVEGCSA-N 2 1 359.283 3.086 20 0 FGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000151379257 495820833 /nfs/dbraw/zinc/82/08/33/495820833.db2.gz MQMMBKNTFNPVAD-KRWDZBQOSA-N 2 1 355.320 3.337 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101049 495834679 /nfs/dbraw/zinc/83/46/79/495834679.db2.gz AHQKHCUHZNIMDV-DLBZAZTESA-N 2 1 362.514 3.421 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101049 495834682 /nfs/dbraw/zinc/83/46/82/495834682.db2.gz AHQKHCUHZNIMDV-DLBZAZTESA-N 2 1 362.514 3.421 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@@H]1C ZINC000183130529 495846678 /nfs/dbraw/zinc/84/66/78/495846678.db2.gz DUXNTEYVVVQZSM-DBXWQHBBSA-N 2 1 373.541 3.262 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(C)cc2)cc1 ZINC000183140114 495851955 /nfs/dbraw/zinc/85/19/55/495851955.db2.gz ZGLBTPBOMKLXEK-QGZVFWFLSA-N 2 1 362.477 3.456 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1 ZINC000183157460 495859449 /nfs/dbraw/zinc/85/94/49/495859449.db2.gz SARAQNRSOAMTEG-CHWSQXEVSA-N 2 1 355.467 3.315 20 0 FGADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174240019 495877320 /nfs/dbraw/zinc/87/73/20/495877320.db2.gz PIQGTGDULWOGAD-UHFFFAOYSA-N 2 1 374.504 3.272 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000180153927 495882108 /nfs/dbraw/zinc/88/21/08/495882108.db2.gz QKAQGYKCHNTPOY-KRWDZBQOSA-N 2 1 364.852 3.111 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000180153927 495882112 /nfs/dbraw/zinc/88/21/12/495882112.db2.gz QKAQGYKCHNTPOY-KRWDZBQOSA-N 2 1 364.852 3.111 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155570964 495998318 /nfs/dbraw/zinc/99/83/18/495998318.db2.gz GNWHUYIWPOZMJY-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000177318355 496016467 /nfs/dbraw/zinc/01/64/67/496016467.db2.gz SGNXHKRUPLUBDP-UWJYYQICSA-N 2 1 357.542 3.442 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000183553944 496029455 /nfs/dbraw/zinc/02/94/55/496029455.db2.gz XLYXNBSKDMBHQQ-AVRDEDQJSA-N 2 1 370.541 3.053 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(F)c(Br)c1)C1CC[NH+](C)CC1 ZINC000177381369 496039518 /nfs/dbraw/zinc/03/95/18/496039518.db2.gz QIBNYKXNEKLSRS-UHFFFAOYSA-N 2 1 372.326 3.046 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000177430486 496058977 /nfs/dbraw/zinc/05/89/77/496058977.db2.gz WAQKHHFKHNEBHZ-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177430486 496058981 /nfs/dbraw/zinc/05/89/81/496058981.db2.gz WAQKHHFKHNEBHZ-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000571815890 505820812 /nfs/dbraw/zinc/82/08/12/505820812.db2.gz MAQUVXASWYIAHD-WBAXXEDZSA-N 2 1 351.922 3.131 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000571815890 505820814 /nfs/dbraw/zinc/82/08/14/505820814.db2.gz MAQUVXASWYIAHD-WBAXXEDZSA-N 2 1 351.922 3.131 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000174691522 496064318 /nfs/dbraw/zinc/06/43/18/496064318.db2.gz LKVAKLQDERRQCI-OTYNDTSQSA-N 2 1 372.557 3.384 20 0 FGADMP COc1ccc(-c2noc([C@H](C)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000152176129 496070288 /nfs/dbraw/zinc/07/02/88/496070288.db2.gz OSYCQXJWVYNRON-YXJHDRRASA-N 2 1 356.470 3.222 20 0 FGADMP Cc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177494767 496085464 /nfs/dbraw/zinc/08/54/64/496085464.db2.gz RQIZGFQVNDNWEG-RTBURBONSA-N 2 1 373.541 3.145 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn4ccsc4n3)CC2)C[C@H](C)O1 ZINC000177503897 496089276 /nfs/dbraw/zinc/08/92/76/496089276.db2.gz DMJRYAKVRHMWLX-HOTGVXAUSA-N 2 1 362.543 3.107 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000155860636 496091042 /nfs/dbraw/zinc/09/10/42/496091042.db2.gz ZPZMUTRPXNUPBH-QUCCMNQESA-N 3 1 372.557 3.461 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000152243323 496091809 /nfs/dbraw/zinc/09/18/09/496091809.db2.gz PHPLBYHUZRWRIN-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2CC[NH+](C(C)C)CC2)cc1F ZINC000174764131 496096359 /nfs/dbraw/zinc/09/63/59/496096359.db2.gz ZORBUJGFUSIRQV-UHFFFAOYSA-N 2 1 358.461 3.056 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000177559938 496112419 /nfs/dbraw/zinc/11/24/19/496112419.db2.gz TZGVYWSMPRBWOK-YZGWKJHDSA-N 2 1 361.505 3.027 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964761 496185304 /nfs/dbraw/zinc/18/53/04/496185304.db2.gz WOYSLAUCNIHRLF-MRXNPFEDSA-N 2 1 351.922 3.010 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964761 496185307 /nfs/dbraw/zinc/18/53/07/496185307.db2.gz WOYSLAUCNIHRLF-MRXNPFEDSA-N 2 1 351.922 3.010 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964761 496185311 /nfs/dbraw/zinc/18/53/11/496185311.db2.gz WOYSLAUCNIHRLF-MRXNPFEDSA-N 2 1 351.922 3.010 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000177849356 496221918 /nfs/dbraw/zinc/22/19/18/496221918.db2.gz HQBQSZXQOXJPRY-GOSISDBHSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000177849356 496221922 /nfs/dbraw/zinc/22/19/22/496221922.db2.gz HQBQSZXQOXJPRY-GOSISDBHSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000177849356 496221924 /nfs/dbraw/zinc/22/19/24/496221924.db2.gz HQBQSZXQOXJPRY-GOSISDBHSA-N 2 1 360.546 3.010 20 0 FGADMP O=C(C[N@@H+]1CCCC2(CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000186952840 496226220 /nfs/dbraw/zinc/22/62/20/496226220.db2.gz SGRVARXBKOIPFH-UHFFFAOYSA-N 2 1 359.539 3.050 20 0 FGADMP O=C(C[N@H+]1CCCC2(CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000186952840 496226225 /nfs/dbraw/zinc/22/62/25/496226225.db2.gz SGRVARXBKOIPFH-UHFFFAOYSA-N 2 1 359.539 3.050 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000172258592 496233443 /nfs/dbraw/zinc/23/34/43/496233443.db2.gz UWLIVPBTWPJAJI-IAGOWNOFSA-N 2 1 371.529 3.256 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161761054 496233504 /nfs/dbraw/zinc/23/35/04/496233504.db2.gz BMFSTBBZYCHKMB-UHFFFAOYSA-N 2 1 362.489 3.108 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000574689505 505832353 /nfs/dbraw/zinc/83/23/53/505832353.db2.gz KBHWABLHBSJDLN-VXKWHMMOSA-N 2 1 369.553 3.279 20 0 FGADMP C[C@H](CC1CCCC1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000156520864 496267988 /nfs/dbraw/zinc/26/79/88/496267988.db2.gz LWIPKGAHOVEFKY-GOSISDBHSA-N 2 1 373.541 3.406 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037179 496299043 /nfs/dbraw/zinc/29/90/43/496299043.db2.gz JDNTTXLCCXIYMW-NVXWUHKLSA-N 2 1 374.447 3.371 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000172525745 496327335 /nfs/dbraw/zinc/32/73/35/496327335.db2.gz VSQGEIMZXMCVFV-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[NH+](CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000172525745 496327344 /nfs/dbraw/zinc/32/73/44/496327344.db2.gz VSQGEIMZXMCVFV-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[NH+](CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)Cc1ccccc1 ZINC000172525745 496327349 /nfs/dbraw/zinc/32/73/49/496327349.db2.gz VSQGEIMZXMCVFV-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)nc(C)[nH+]1 ZINC000162281605 496328023 /nfs/dbraw/zinc/32/80/23/496328023.db2.gz RIGQBLYBOVVPJO-PVPMGCCUSA-N 2 1 372.538 3.150 20 0 FGADMP Cc1cc(N2CCC([NH2+]C3CCN(c4ccccc4)CC3)CC2)nc(C)[nH+]1 ZINC000162276117 496328054 /nfs/dbraw/zinc/32/80/54/496328054.db2.gz IPRXXFIJRZDHGX-UHFFFAOYSA-N 2 1 365.525 3.321 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331168 /nfs/dbraw/zinc/33/11/68/496331168.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331176 /nfs/dbraw/zinc/33/11/76/496331176.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000153026681 496331181 /nfs/dbraw/zinc/33/11/81/496331181.db2.gz QUZCVUKQYWVNBI-NUJGCVRESA-N 2 1 356.432 3.025 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187196805 496335093 /nfs/dbraw/zinc/33/50/93/496335093.db2.gz ZTTNICVHWJVQBI-NRFANRHFSA-N 2 1 359.558 3.338 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157055530 496395343 /nfs/dbraw/zinc/39/53/43/496395343.db2.gz RACRKCUZGZWPCF-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157055530 496395345 /nfs/dbraw/zinc/39/53/45/496395345.db2.gz RACRKCUZGZWPCF-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055530 496395349 /nfs/dbraw/zinc/39/53/49/496395349.db2.gz RACRKCUZGZWPCF-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055530 496395351 /nfs/dbraw/zinc/39/53/51/496395351.db2.gz RACRKCUZGZWPCF-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000162787796 496412967 /nfs/dbraw/zinc/41/29/67/496412967.db2.gz OTIRCGFGLOGVFS-KMFMINBZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000162787796 496412972 /nfs/dbraw/zinc/41/29/72/496412972.db2.gz OTIRCGFGLOGVFS-KMFMINBZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000162787796 496412976 /nfs/dbraw/zinc/41/29/76/496412976.db2.gz OTIRCGFGLOGVFS-KMFMINBZSA-N 2 1 373.324 3.149 20 0 FGADMP COc1ccc2nc(C[N@@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000187368166 496413884 /nfs/dbraw/zinc/41/38/84/496413884.db2.gz BEAOKPOCQCLBGQ-AWEZNQCLSA-N 2 1 356.495 3.493 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCC[C@@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000187368166 496413887 /nfs/dbraw/zinc/41/38/87/496413887.db2.gz BEAOKPOCQCLBGQ-AWEZNQCLSA-N 2 1 356.495 3.493 20 0 FGADMP CC(C)(C)C1CCC(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000578022161 505843100 /nfs/dbraw/zinc/84/31/00/505843100.db2.gz SFRNMCRGBLFAHS-ZUPWUQBJSA-N 2 1 363.590 3.419 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869370 496425789 /nfs/dbraw/zinc/42/57/89/496425789.db2.gz BDAAQIQEBIMBNE-HMFYCAOWSA-N 2 1 364.537 3.463 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869370 496425795 /nfs/dbraw/zinc/42/57/95/496425795.db2.gz BDAAQIQEBIMBNE-HMFYCAOWSA-N 2 1 364.537 3.463 20 0 FGADMP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000580813752 505843568 /nfs/dbraw/zinc/84/35/68/505843568.db2.gz NCZBIDFMUBCBCK-DOTOQJQBSA-N 2 1 362.433 3.110 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccc(OC)n2)CC1 ZINC000181628382 496476314 /nfs/dbraw/zinc/47/63/14/496476314.db2.gz OHKSPKGBWJJNQJ-MRXNPFEDSA-N 2 1 372.488 3.222 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000153501312 496477564 /nfs/dbraw/zinc/47/75/64/496477564.db2.gz WDNVFDJJLOFGBM-SJORKVTESA-N 2 1 368.477 3.487 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000153501312 496477568 /nfs/dbraw/zinc/47/75/68/496477568.db2.gz WDNVFDJJLOFGBM-SJORKVTESA-N 2 1 368.477 3.487 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC(=O)Nc3ccccc3)c2)CCO1 ZINC000580828612 505847530 /nfs/dbraw/zinc/84/75/30/505847530.db2.gz DOJZTLJXUIXUFQ-SFHVURJKSA-N 2 1 367.493 3.026 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000163629377 496540099 /nfs/dbraw/zinc/54/00/99/496540099.db2.gz MEFGTMMZEWNZNN-QFIPXVFZSA-N 2 1 354.494 3.421 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580843187 505851733 /nfs/dbraw/zinc/85/17/33/505851733.db2.gz BMNHYRGSNJAEQP-MJGOQNOKSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580843187 505851738 /nfs/dbraw/zinc/85/17/38/505851738.db2.gz BMNHYRGSNJAEQP-MJGOQNOKSA-N 2 1 367.896 3.261 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C12CCCC2 ZINC000181862828 496577087 /nfs/dbraw/zinc/57/70/87/496577087.db2.gz AFOXBAWQDWDZCE-OALUTQOASA-N 2 1 358.530 3.390 20 0 FGADMP CC(C)[NH2+]CCC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163993581 496577613 /nfs/dbraw/zinc/57/76/13/496577613.db2.gz BAJGJJNIBSQGDQ-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178831437 496586793 /nfs/dbraw/zinc/58/67/93/496586793.db2.gz MBAHSFQCLCPHHY-OVQGTLEDSA-N 2 1 351.494 3.102 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000173192841 496588106 /nfs/dbraw/zinc/58/81/06/496588106.db2.gz XZESSQDQLGWLDM-HXUWFJFHSA-N 2 1 354.498 3.143 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173192841 496588108 /nfs/dbraw/zinc/58/81/08/496588108.db2.gz XZESSQDQLGWLDM-HXUWFJFHSA-N 2 1 354.498 3.143 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945555 496608248 /nfs/dbraw/zinc/60/82/48/496608248.db2.gz LOOFSHDIAWQFCW-MRXNPFEDSA-N 2 1 374.447 3.251 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1F ZINC000182013004 496634596 /nfs/dbraw/zinc/63/45/96/496634596.db2.gz IPISCWHUMHDPNL-AUUYWEPGSA-N 2 1 361.436 3.035 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000164881386 496636929 /nfs/dbraw/zinc/63/69/29/496636929.db2.gz JOCKHNSGGAWINE-DNVCBOLYSA-N 2 1 371.550 3.434 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)[C@@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000164881386 496636936 /nfs/dbraw/zinc/63/69/36/496636936.db2.gz JOCKHNSGGAWINE-DNVCBOLYSA-N 2 1 371.550 3.434 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@@H]1c1cccs1 ZINC000164978435 496642840 /nfs/dbraw/zinc/64/28/40/496642840.db2.gz WDRPVRMQRNQKDD-KBXCAEBGSA-N 2 1 357.514 3.450 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@@H]1c1cccs1 ZINC000164978435 496642846 /nfs/dbraw/zinc/64/28/46/496642846.db2.gz WDRPVRMQRNQKDD-KBXCAEBGSA-N 2 1 357.514 3.450 20 0 FGADMP CCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccnc1 ZINC000185084666 496652699 /nfs/dbraw/zinc/65/26/99/496652699.db2.gz BKVLTKMWLAPKIZ-JOCHJYFZSA-N 2 1 352.526 3.460 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000154033524 496661461 /nfs/dbraw/zinc/66/14/61/496661461.db2.gz NLZKCMSPZZXPPU-QZTJIDSGSA-N 2 1 365.949 3.209 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166147292 496678139 /nfs/dbraw/zinc/67/81/39/496678139.db2.gz NLBFGUNKTLZAHL-UNMCSNQZSA-N 2 1 359.558 3.162 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166147383 496678177 /nfs/dbraw/zinc/67/81/77/496678177.db2.gz NLBFGUNKTLZAHL-RBBKRZOGSA-N 2 1 359.558 3.162 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173428361 496689027 /nfs/dbraw/zinc/68/90/27/496689027.db2.gz NUSNKCQUQCNNCH-CRAIPNDOSA-N 2 1 366.937 3.068 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122891 496693703 /nfs/dbraw/zinc/69/37/03/496693703.db2.gz LFFPFDRHJSZGQB-QGZVFWFLSA-N 2 1 350.482 3.014 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000182264795 496723552 /nfs/dbraw/zinc/72/35/52/496723552.db2.gz FQTSRNKBWJZBKU-JXFKEZNVSA-N 2 1 370.493 3.121 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182272172 496724115 /nfs/dbraw/zinc/72/41/15/496724115.db2.gz RYJLHEYKAXBVEG-REWPJTCUSA-N 2 1 366.505 3.429 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000277387543 496756819 /nfs/dbraw/zinc/75/68/19/496756819.db2.gz YOTIQSFIUZVXFG-UHFFFAOYSA-N 2 1 368.525 3.133 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCc2ccccc2C1 ZINC000277387543 496756824 /nfs/dbraw/zinc/75/68/24/496756824.db2.gz YOTIQSFIUZVXFG-UHFFFAOYSA-N 2 1 368.525 3.133 20 0 FGADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)cc1 ZINC000188375459 496768862 /nfs/dbraw/zinc/76/88/62/496768862.db2.gz SDSXCZMVDOZKIL-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000268749826 496773811 /nfs/dbraw/zinc/77/38/11/496773811.db2.gz BWTNCQJJGDYEHG-OALUTQOASA-N 2 1 361.917 3.161 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000268749826 496773819 /nfs/dbraw/zinc/77/38/19/496773819.db2.gz BWTNCQJJGDYEHG-OALUTQOASA-N 2 1 361.917 3.161 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247101248 496778418 /nfs/dbraw/zinc/77/84/18/496778418.db2.gz QAUWMOKYRCNHDC-KCZVDYSFSA-N 2 1 358.574 3.394 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779108 496782243 /nfs/dbraw/zinc/78/22/43/496782243.db2.gz OZXLWELXHALSFP-DBVUQKKJSA-N 2 1 354.498 3.277 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779108 496782247 /nfs/dbraw/zinc/78/22/47/496782247.db2.gz OZXLWELXHALSFP-DBVUQKKJSA-N 2 1 354.498 3.277 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000268777929 496782359 /nfs/dbraw/zinc/78/23/59/496782359.db2.gz BBBMTLRUHNLBAI-OXQOHEQNSA-N 2 1 352.482 3.154 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268778386 496782824 /nfs/dbraw/zinc/78/28/24/496782824.db2.gz SHUJMHGTLLFGLW-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268778386 496782827 /nfs/dbraw/zinc/78/28/27/496782827.db2.gz SHUJMHGTLLFGLW-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000191516965 496793651 /nfs/dbraw/zinc/79/36/51/496793651.db2.gz FYVIAZINHQSVMY-QGZVFWFLSA-N 2 1 354.498 3.135 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1c2ccccc2C[C@H]1C ZINC000191516965 496793656 /nfs/dbraw/zinc/79/36/56/496793656.db2.gz FYVIAZINHQSVMY-QGZVFWFLSA-N 2 1 354.498 3.135 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273405750 496797515 /nfs/dbraw/zinc/79/75/15/496797515.db2.gz HPHRKVBOYJAQKQ-LQWHRVPQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000247211190 496805327 /nfs/dbraw/zinc/80/53/27/496805327.db2.gz WZMACBRFRBGGQH-BAGYTPMASA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000247211190 496805333 /nfs/dbraw/zinc/80/53/33/496805333.db2.gz WZMACBRFRBGGQH-BAGYTPMASA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000247211190 496805337 /nfs/dbraw/zinc/80/53/37/496805337.db2.gz WZMACBRFRBGGQH-BAGYTPMASA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000247211190 496805340 /nfs/dbraw/zinc/80/53/40/496805340.db2.gz WZMACBRFRBGGQH-BAGYTPMASA-N 2 1 368.521 3.411 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134408 496830246 /nfs/dbraw/zinc/83/02/46/496830246.db2.gz PEICGTNEGZFYNA-PKOBYXMFSA-N 2 1 372.534 3.263 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000188633435 496859031 /nfs/dbraw/zinc/85/90/31/496859031.db2.gz KTSNMGMGYRHXKB-UHFFFAOYSA-N 2 1 363.505 3.239 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247459893 496863641 /nfs/dbraw/zinc/86/36/41/496863641.db2.gz QJQRPXAVIHSRJL-KGEPEWOVSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247485167 496869550 /nfs/dbraw/zinc/86/95/50/496869550.db2.gz KMDSAJMBZJUZSX-HMXCVIKNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000247949166 496931627 /nfs/dbraw/zinc/93/16/27/496931627.db2.gz DVHCQYXRHMHFJY-HIFRSBDPSA-N 2 1 373.310 3.476 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947815 505875285 /nfs/dbraw/zinc/87/52/85/505875285.db2.gz PDMXMJWAFAIMAU-CGTJXYLNSA-N 2 1 374.447 3.075 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947815 505875287 /nfs/dbraw/zinc/87/52/87/505875287.db2.gz PDMXMJWAFAIMAU-CGTJXYLNSA-N 2 1 374.447 3.075 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195636019 496956242 /nfs/dbraw/zinc/95/62/42/496956242.db2.gz GXRXXRZOSGAOMF-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269511857 496961689 /nfs/dbraw/zinc/96/16/89/496961689.db2.gz OVLGTQQWVSRYGJ-UIFIKXQLSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000248217849 496974239 /nfs/dbraw/zinc/97/42/39/496974239.db2.gz ZZEAKHHGVUMLDS-LVQVYYBASA-N 2 1 353.457 3.185 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000248388499 496990106 /nfs/dbraw/zinc/99/01/06/496990106.db2.gz DXLDIWINAHGDRI-DYESRHJHSA-N 2 1 366.509 3.390 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000269730406 496996475 /nfs/dbraw/zinc/99/64/75/496996475.db2.gz YHNRKMPSZRTODC-QZTJIDSGSA-N 2 1 369.509 3.058 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C12CCC2 ZINC000248430996 497008987 /nfs/dbraw/zinc/00/89/87/497008987.db2.gz BYJSDVYKYWOMKV-PWRODBHTSA-N 2 1 358.526 3.081 20 0 FGADMP C[C@@H](CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000248455592 497018077 /nfs/dbraw/zinc/01/80/77/497018077.db2.gz MOUJSFBHVYUQDB-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460830 497020205 /nfs/dbraw/zinc/02/02/05/497020205.db2.gz OSSYWKASULIJAE-UXLLHSPISA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460830 497020207 /nfs/dbraw/zinc/02/02/07/497020207.db2.gz OSSYWKASULIJAE-UXLLHSPISA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460830 497020208 /nfs/dbraw/zinc/02/02/08/497020208.db2.gz OSSYWKASULIJAE-UXLLHSPISA-N 2 1 374.447 3.107 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569215786 505881290 /nfs/dbraw/zinc/88/12/90/505881290.db2.gz VVMPLCJUCXULKG-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248589934 497049428 /nfs/dbraw/zinc/04/94/28/497049428.db2.gz ZAOOYBFBWIMFTH-SSGKUCQKSA-N 2 1 350.506 3.090 20 0 FGADMP [NH3+][C@@H](CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574911534 505881970 /nfs/dbraw/zinc/88/19/70/505881970.db2.gz HRVGNWPIGIMVTR-FDFHNCONSA-N 2 1 363.505 3.200 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000227375785 497088707 /nfs/dbraw/zinc/08/87/07/497088707.db2.gz WMWOMEOCHMCJTL-YVSFHVDLSA-N 2 1 366.575 3.016 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000569231015 505884852 /nfs/dbraw/zinc/88/48/52/505884852.db2.gz ZUPNWPXKJQJXLP-NQIIRXRSSA-N 2 1 372.557 3.058 20 0 FGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1(C)C ZINC000248873716 497123248 /nfs/dbraw/zinc/12/32/48/497123248.db2.gz QVMQPKHDMIKSLX-PWRODBHTSA-N 2 1 360.542 3.325 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248902032 497131637 /nfs/dbraw/zinc/13/16/37/497131637.db2.gz UOAZEHUSGBNUNI-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000249202463 497179909 /nfs/dbraw/zinc/17/99/09/497179909.db2.gz AEYUJFKJALJQIK-SFHVURJKSA-N 2 1 366.347 3.054 20 0 FGADMP Cc1ccccc1[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)CO1 ZINC000249270949 497184777 /nfs/dbraw/zinc/18/47/77/497184777.db2.gz JLCLBIGCEYZGPN-RBBKRZOGSA-N 2 1 359.558 3.173 20 0 FGADMP COc1ccccc1[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000192702785 497189408 /nfs/dbraw/zinc/18/94/08/497189408.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000192702785 497189414 /nfs/dbraw/zinc/18/94/14/497189414.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccccc1[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000192702785 497189419 /nfs/dbraw/zinc/18/94/19/497189419.db2.gz RCHRFUIQOIBPKB-QYYYHEGRSA-N 2 1 357.542 3.437 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274904692 497196254 /nfs/dbraw/zinc/19/62/54/497196254.db2.gz LYCATWSQHTVCOE-ICSRJNTNSA-N 2 1 357.542 3.134 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000237193472 497203308 /nfs/dbraw/zinc/20/33/08/497203308.db2.gz VATXGBHXRSKXMD-FRIKZZABSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1ncccc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000237203769 497204262 /nfs/dbraw/zinc/20/42/62/497204262.db2.gz CRNMNOHERYVXPT-UHFFFAOYSA-N 2 1 369.509 3.169 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000278739384 497204990 /nfs/dbraw/zinc/20/49/90/497204990.db2.gz WKAPCHZNBJFJEF-QHCPKHFHSA-N 2 1 371.569 3.228 20 0 FGADMP COc1ccc([C@@H]2[C@H](CNC(=O)CCCCCC[NH3+])CCC[N@H+]2C)cc1 ZINC000237230470 497207531 /nfs/dbraw/zinc/20/75/31/497207531.db2.gz OEQJIHKOMZSZLC-GHTZIAJQSA-N 2 1 361.530 3.104 20 0 FGADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265960282 497218191 /nfs/dbraw/zinc/21/81/91/497218191.db2.gz IVHSPMUMFHMYAP-OLZOCXBDSA-N 2 1 364.490 3.036 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237327503 497220935 /nfs/dbraw/zinc/22/09/35/497220935.db2.gz YZDAUKOGWYLEBX-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000237645120 497267629 /nfs/dbraw/zinc/26/76/29/497267629.db2.gz CBKWTBNYJBGXMO-FCHUYYIVSA-N 2 1 363.505 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000252111559 497297331 /nfs/dbraw/zinc/29/73/31/497297331.db2.gz JQENCAGHMIWAES-SVFBPWRDSA-N 2 1 374.573 3.347 20 0 FGADMP c1cn2c(n1)CC[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010214 497302304 /nfs/dbraw/zinc/30/23/04/497302304.db2.gz SUTQMPGNAUMPSO-MXEMCNAFSA-N 2 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010214 497302308 /nfs/dbraw/zinc/30/23/08/497302308.db2.gz SUTQMPGNAUMPSO-MXEMCNAFSA-N 3 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010214 497302310 /nfs/dbraw/zinc/30/23/10/497302310.db2.gz SUTQMPGNAUMPSO-MXEMCNAFSA-N 3 1 350.510 3.231 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000237884743 497306769 /nfs/dbraw/zinc/30/67/69/497306769.db2.gz VVAQJXBMRLRFKW-WOJBJXKFSA-N 2 1 361.505 3.158 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000237884743 497306773 /nfs/dbraw/zinc/30/67/73/497306773.db2.gz VVAQJXBMRLRFKW-WOJBJXKFSA-N 2 1 361.505 3.158 20 0 FGADMP [NH3+]C1(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)CCCCC1 ZINC000237890901 497308301 /nfs/dbraw/zinc/30/83/01/497308301.db2.gz HRGNEGKJXRXQMU-UHFFFAOYSA-N 2 1 351.494 3.146 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000253028628 497322807 /nfs/dbraw/zinc/32/28/07/497322807.db2.gz HZVRXMSSSKQVAH-FPOVZHCZSA-N 2 1 357.473 3.137 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000279212712 497369343 /nfs/dbraw/zinc/36/93/43/497369343.db2.gz YIBFROMDEBBCAO-OXQOHEQNSA-N 2 1 352.482 3.040 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000266596398 497378580 /nfs/dbraw/zinc/37/85/80/497378580.db2.gz OQQJGZFXIVAHTC-PBHICJAKSA-N 2 1 355.320 3.146 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000266596398 497378584 /nfs/dbraw/zinc/37/85/84/497378584.db2.gz OQQJGZFXIVAHTC-PBHICJAKSA-N 2 1 355.320 3.146 20 0 FGADMP C[N@H+](CCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000255957085 497380795 /nfs/dbraw/zinc/38/07/95/497380795.db2.gz ZEWDNPFROKZVOM-NRFANRHFSA-N 2 1 372.557 3.339 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000255957085 497380800 /nfs/dbraw/zinc/38/08/00/497380800.db2.gz ZEWDNPFROKZVOM-NRFANRHFSA-N 2 1 372.557 3.339 20 0 FGADMP C[NH+](CCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000255957085 497380803 /nfs/dbraw/zinc/38/08/03/497380803.db2.gz ZEWDNPFROKZVOM-NRFANRHFSA-N 2 1 372.557 3.339 20 0 FGADMP C[NH+](CCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000255957085 497380806 /nfs/dbraw/zinc/38/08/06/497380806.db2.gz ZEWDNPFROKZVOM-NRFANRHFSA-N 2 1 372.557 3.339 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000245411145 497391787 /nfs/dbraw/zinc/39/17/87/497391787.db2.gz VKAQBLLTDCQTRJ-IIBYNOLFSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2c2cccc(F)c2)CC1 ZINC000245411145 497391790 /nfs/dbraw/zinc/39/17/90/497391790.db2.gz VKAQBLLTDCQTRJ-IIBYNOLFSA-N 2 1 361.505 3.198 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cccnc2OC)CC1 ZINC000193495917 497396936 /nfs/dbraw/zinc/39/69/36/497396936.db2.gz UYJZHLRXVMEPDZ-MRXNPFEDSA-N 2 1 372.488 3.222 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000275667022 497398366 /nfs/dbraw/zinc/39/83/66/497398366.db2.gz VKVDNVATGIQTEB-LSDHHAIUSA-N 2 1 360.889 3.414 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)C(C)C ZINC000245424820 497398369 /nfs/dbraw/zinc/39/83/69/497398369.db2.gz KIGNJVDHNAXSHK-MOPGFXCFSA-N 2 1 352.567 3.152 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC)CC1 ZINC000266694608 497399989 /nfs/dbraw/zinc/39/99/89/497399989.db2.gz MRVGEHDABSWORW-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C(=O)NC1CCCCC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245430876 497401637 /nfs/dbraw/zinc/40/16/37/497401637.db2.gz AJBOKSZYQVZLKP-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434738 497403661 /nfs/dbraw/zinc/40/36/61/497403661.db2.gz QAQBYAASUUUQFJ-SUMWQHHRSA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434738 497403664 /nfs/dbraw/zinc/40/36/64/497403664.db2.gz QAQBYAASUUUQFJ-SUMWQHHRSA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434738 497403667 /nfs/dbraw/zinc/40/36/67/497403667.db2.gz QAQBYAASUUUQFJ-SUMWQHHRSA-N 2 1 355.885 3.470 20 0 FGADMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190233516 497408301 /nfs/dbraw/zinc/40/83/01/497408301.db2.gz CBOWVZVMJUULMJ-JOCHJYFZSA-N 2 1 359.558 3.202 20 0 FGADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000261681722 497432471 /nfs/dbraw/zinc/43/24/71/497432471.db2.gz AHHBKGYTARSBEH-GOSISDBHSA-N 2 1 357.523 3.235 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261751607 497445462 /nfs/dbraw/zinc/44/54/62/497445462.db2.gz LEAXJNVSTFXBAU-QGZVFWFLSA-N 2 1 363.303 3.114 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261751607 497445468 /nfs/dbraw/zinc/44/54/68/497445468.db2.gz LEAXJNVSTFXBAU-QGZVFWFLSA-N 2 1 363.303 3.114 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261772480 497447934 /nfs/dbraw/zinc/44/79/34/497447934.db2.gz XAZQDBXMWRGOEU-CZUORRHYSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261772480 497447938 /nfs/dbraw/zinc/44/79/38/497447938.db2.gz XAZQDBXMWRGOEU-CZUORRHYSA-N 2 1 370.324 3.074 20 0 FGADMP Clc1cc(Cl)cc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1 ZINC000261797350 497453278 /nfs/dbraw/zinc/45/32/78/497453278.db2.gz RKOANSPOQCVELT-UHFFFAOYSA-N 2 1 366.296 3.068 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000261935265 497478662 /nfs/dbraw/zinc/47/86/62/497478662.db2.gz DDNJBFZSIFQVET-KRWDZBQOSA-N 2 1 350.388 3.077 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000262004871 497491295 /nfs/dbraw/zinc/49/12/95/497491295.db2.gz NTZIXKBLEPGIJE-JOCHJYFZSA-N 2 1 351.494 3.130 20 0 FGADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)[C@H]([NH3+])c1ccccc1 ZINC000262004195 497491424 /nfs/dbraw/zinc/49/14/24/497491424.db2.gz QDOOMHQRJHEUNV-JVPBZIDWSA-N 2 1 357.885 3.149 20 0 FGADMP CN(C)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000245673495 497496385 /nfs/dbraw/zinc/49/63/85/497496385.db2.gz HREHDADHUFCAEX-MZADTFQBSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000245673495 497496387 /nfs/dbraw/zinc/49/63/87/497496387.db2.gz HREHDADHUFCAEX-MZADTFQBSA-N 2 1 350.510 3.433 20 0 FGADMP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262094739 497507367 /nfs/dbraw/zinc/50/73/67/497507367.db2.gz SEZBPYLWVQKBOF-KRWDZBQOSA-N 2 1 370.522 3.213 20 0 FGADMP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000262094739 497507371 /nfs/dbraw/zinc/50/73/71/497507371.db2.gz SEZBPYLWVQKBOF-KRWDZBQOSA-N 2 1 370.522 3.213 20 0 FGADMP C[C@H](CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000193889899 497512467 /nfs/dbraw/zinc/51/24/67/497512467.db2.gz VKPGONDNOJIHPA-LJQANCHMSA-N 2 1 357.542 3.056 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(F)cn3)CC2)c1C ZINC000276239603 497527180 /nfs/dbraw/zinc/52/71/80/497527180.db2.gz OGZLJVAGMZVZTM-UHFFFAOYSA-N 2 1 372.488 3.338 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(F)cn3)CC2)c1C ZINC000276239603 497527188 /nfs/dbraw/zinc/52/71/88/497527188.db2.gz OGZLJVAGMZVZTM-UHFFFAOYSA-N 2 1 372.488 3.338 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971491 497536096 /nfs/dbraw/zinc/53/60/96/497536096.db2.gz GKKBSVDAWUOZNK-IBGZPJMESA-N 2 1 353.938 3.035 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)cs1 ZINC000194028733 497552704 /nfs/dbraw/zinc/55/27/04/497552704.db2.gz KJXZYMCZWLELIL-ZDUSSCGKSA-N 2 1 360.365 3.189 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000245932538 497577101 /nfs/dbraw/zinc/57/71/01/497577101.db2.gz VCAALHKDZAIPBE-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1C ZINC000245932538 497577106 /nfs/dbraw/zinc/57/71/06/497577106.db2.gz VCAALHKDZAIPBE-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245990504 497590515 /nfs/dbraw/zinc/59/05/15/497590515.db2.gz WWQMLELBZRMDCL-SJORKVTESA-N 2 1 372.488 3.033 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245990504 497590521 /nfs/dbraw/zinc/59/05/21/497590521.db2.gz WWQMLELBZRMDCL-SJORKVTESA-N 2 1 372.488 3.033 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194169285 497592218 /nfs/dbraw/zinc/59/22/18/497592218.db2.gz LBQGOBCCJWYXJT-YUMYIRISSA-N 2 1 370.537 3.081 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262696625 497601664 /nfs/dbraw/zinc/60/16/64/497601664.db2.gz DXRLLCVPIVMFQC-OWQGQXMQSA-N 2 1 355.885 3.106 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000246086521 497617193 /nfs/dbraw/zinc/61/71/93/497617193.db2.gz FIVFKVBQJAVUDN-KNCVXQGMSA-N 2 1 358.530 3.207 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272437387 497628962 /nfs/dbraw/zinc/62/89/62/497628962.db2.gz SBGNLYNIEATLEQ-MZADTFQBSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272437387 497628965 /nfs/dbraw/zinc/62/89/65/497628965.db2.gz SBGNLYNIEATLEQ-MZADTFQBSA-N 2 1 350.510 3.433 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246130526 497632561 /nfs/dbraw/zinc/63/25/61/497632561.db2.gz JQAWCDPGOPXXOX-ZFWWWQNUSA-N 2 1 360.420 3.456 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246130526 497632567 /nfs/dbraw/zinc/63/25/67/497632567.db2.gz JQAWCDPGOPXXOX-ZFWWWQNUSA-N 2 1 360.420 3.456 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000246147115 497637216 /nfs/dbraw/zinc/63/72/16/497637216.db2.gz YYHHTRDSNPKJOL-UIFIKXQLSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000246147115 497637221 /nfs/dbraw/zinc/63/72/21/497637221.db2.gz YYHHTRDSNPKJOL-UIFIKXQLSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000246147801 497638860 /nfs/dbraw/zinc/63/88/60/497638860.db2.gz BUBLZNLISIIYED-IFMALSPDSA-N 2 1 371.569 3.447 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246194075 497655480 /nfs/dbraw/zinc/65/54/80/497655480.db2.gz MQRHAANAFPMQIF-RTBURBONSA-N 2 1 374.573 3.489 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246194053 497655823 /nfs/dbraw/zinc/65/58/23/497655823.db2.gz MQRHAANAFPMQIF-MOPGFXCFSA-N 2 1 374.573 3.489 20 0 FGADMP C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272550641 497658570 /nfs/dbraw/zinc/65/85/70/497658570.db2.gz FENQLWKXDRZVPL-IRLDBZIGSA-N 2 1 371.569 3.132 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268181646 497694802 /nfs/dbraw/zinc/69/48/02/497694802.db2.gz WIIRDNQJVHXHOM-UHFFFAOYSA-N 2 1 351.560 3.394 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272730838 497715020 /nfs/dbraw/zinc/71/50/20/497715020.db2.gz INJUFDADSDQUPT-RXVVDRJESA-N 2 1 352.478 3.039 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCCO2 ZINC000246390840 497718279 /nfs/dbraw/zinc/71/82/79/497718279.db2.gz KWDMUCOTORHKKL-QHAWAJNXSA-N 2 1 374.525 3.266 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000246392507 497718379 /nfs/dbraw/zinc/71/83/79/497718379.db2.gz JGEFXWZMUYRGKX-WOJBJXKFSA-N 2 1 366.594 3.022 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000246430646 497731992 /nfs/dbraw/zinc/73/19/92/497731992.db2.gz MOUPDWGPUZYMPJ-YRXWBPOGSA-N 2 1 366.594 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1Cl ZINC000263228738 497737694 /nfs/dbraw/zinc/73/76/94/497737694.db2.gz HIJLFBNCRYYTJE-SNNOENIYSA-N 2 1 363.933 3.213 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CCN1C ZINC000246537386 497766399 /nfs/dbraw/zinc/76/63/99/497766399.db2.gz CPDILXNWOQBBFY-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000246537386 497766402 /nfs/dbraw/zinc/76/64/02/497766402.db2.gz CPDILXNWOQBBFY-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000246537386 497766404 /nfs/dbraw/zinc/76/64/04/497766404.db2.gz CPDILXNWOQBBFY-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000246537386 497766406 /nfs/dbraw/zinc/76/64/06/497766406.db2.gz CPDILXNWOQBBFY-VHDGCEQUSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000272965490 497772811 /nfs/dbraw/zinc/77/28/11/497772811.db2.gz QXNCIQHRHGQOLG-AWEZNQCLSA-N 2 1 362.411 3.390 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608017 497787814 /nfs/dbraw/zinc/78/78/14/497787814.db2.gz WPDHAAVPTKDPCJ-BJLQDIEVSA-N 2 1 360.546 3.069 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608017 497787815 /nfs/dbraw/zinc/78/78/15/497787815.db2.gz WPDHAAVPTKDPCJ-BJLQDIEVSA-N 2 1 360.546 3.069 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)C1 ZINC000246833398 497814854 /nfs/dbraw/zinc/81/48/54/497814854.db2.gz UERDWLJKERFMCJ-QZTJIDSGSA-N 2 1 361.534 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)C1 ZINC000246833398 497814856 /nfs/dbraw/zinc/81/48/56/497814856.db2.gz UERDWLJKERFMCJ-QZTJIDSGSA-N 2 1 361.534 3.057 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246874000 497817993 /nfs/dbraw/zinc/81/79/93/497817993.db2.gz QEPAVTBGQSNNJQ-NNWRFLSQSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246874000 497817994 /nfs/dbraw/zinc/81/79/94/497817994.db2.gz QEPAVTBGQSNNJQ-NNWRFLSQSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246874000 497817995 /nfs/dbraw/zinc/81/79/95/497817995.db2.gz QEPAVTBGQSNNJQ-NNWRFLSQSA-N 2 1 372.553 3.300 20 0 FGADMP COc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1OC ZINC000246883680 497818575 /nfs/dbraw/zinc/81/85/75/497818575.db2.gz TVLVYLPKVJRYNL-YJBOKZPZSA-N 2 1 360.498 3.161 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890838 497819023 /nfs/dbraw/zinc/81/90/23/497819023.db2.gz DSLCRAKKAWISNO-XIRDDKMYSA-N 2 1 351.922 3.247 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246904486 497819540 /nfs/dbraw/zinc/81/95/40/497819540.db2.gz HCMWNKDSFLNFAD-ZWKOTPCHSA-N 2 1 354.583 3.164 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000572272314 505931151 /nfs/dbraw/zinc/93/11/51/505931151.db2.gz DLWCWDWCNSTJDN-PCCBWWKXSA-N 2 1 368.525 3.242 20 0 FGADMP Cc1cc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000292018439 497842792 /nfs/dbraw/zinc/84/27/92/497842792.db2.gz YZMSDYGFBHWBPO-LJQANCHMSA-N 2 1 373.545 3.006 20 0 FGADMP Cc1cc(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000292018439 497842798 /nfs/dbraw/zinc/84/27/98/497842798.db2.gz YZMSDYGFBHWBPO-LJQANCHMSA-N 2 1 373.545 3.006 20 0 FGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268989 497871829 /nfs/dbraw/zinc/87/18/29/497871829.db2.gz YDNNKPWCZVYFKV-QFBILLFUSA-N 2 1 354.502 3.056 20 0 FGADMP COc1cccc2c1ncc(C)c2N1CCC[N@H+](C2CCOCC2)CC1 ZINC000364278250 497875603 /nfs/dbraw/zinc/87/56/03/497875603.db2.gz CGKAIFNUQPOIJA-UHFFFAOYSA-N 2 1 355.482 3.243 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3ccccc3)CC2)CC1 ZINC000581259464 505945764 /nfs/dbraw/zinc/94/57/64/505945764.db2.gz KCHNMPDLZVVGBD-GOSISDBHSA-N 2 1 357.542 3.402 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000572393216 505958016 /nfs/dbraw/zinc/95/80/16/505958016.db2.gz AAPCYDKIAYWDOI-OAHLLOKOSA-N 2 1 372.296 3.308 20 0 FGADMP c1c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)noc1-c1ccccc1 ZINC000285102563 497994952 /nfs/dbraw/zinc/99/49/52/497994952.db2.gz QVACCYIAVFOYGM-UHFFFAOYSA-N 2 1 355.482 3.418 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCS(=O)(=O)C(C)(C)C)CC1 ZINC000281054364 498002086 /nfs/dbraw/zinc/00/20/86/498002086.db2.gz RCAZNYAVZKYCDP-UHFFFAOYSA-N 2 1 366.571 3.233 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329767 505962517 /nfs/dbraw/zinc/96/25/17/505962517.db2.gz FBNBBAWCXSAUSD-WOJBJXKFSA-N 2 1 361.530 3.067 20 0 FGADMP CN(C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289071473 498003834 /nfs/dbraw/zinc/00/38/34/498003834.db2.gz MZGZNZCHIGECPZ-WCRBZPEASA-N 2 1 370.541 3.049 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000575351900 505966842 /nfs/dbraw/zinc/96/68/42/505966842.db2.gz JWAARCRRCJKAIS-LQWHRVPQSA-N 2 1 372.557 3.378 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCCc3cnccc3C)CC2)oc1C ZINC000289300871 498096909 /nfs/dbraw/zinc/09/69/09/498096909.db2.gz QXJKPICHAAGXRM-UHFFFAOYSA-N 2 1 356.514 3.429 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000572486951 505981484 /nfs/dbraw/zinc/98/14/84/505981484.db2.gz QMLJUVFSONDCEB-GHTZIAJQSA-N 2 1 357.542 3.232 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000364762813 498132170 /nfs/dbraw/zinc/13/21/70/498132170.db2.gz CBDWNTNIXUCHJK-MNAPGUCWSA-N 2 1 360.542 3.104 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000364853526 498174605 /nfs/dbraw/zinc/17/46/05/498174605.db2.gz ZVIXKSWSHXQPNP-HYVNUMGLSA-N 2 1 351.922 3.213 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292868226 498176386 /nfs/dbraw/zinc/17/63/86/498176386.db2.gz CYUXMOMRLCWLKE-VGSWGCGISA-N 2 1 369.509 3.370 20 0 FGADMP c1cncc(CC[NH+]2CCCC3(CCC[N@H+](CCc4cccnc4)C3)C2)c1 ZINC000289570538 498198958 /nfs/dbraw/zinc/19/89/58/498198958.db2.gz VPQNVOMNGQYNEY-UHFFFAOYSA-N 2 1 364.537 3.440 20 0 FGADMP Cc1c([C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cnn1C(C)(C)C ZINC000364919242 498209052 /nfs/dbraw/zinc/20/90/52/498209052.db2.gz VAOTUVWZGYBZDG-JSFADZTLSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cnn1C(C)(C)C ZINC000364919242 498209056 /nfs/dbraw/zinc/20/90/56/498209056.db2.gz VAOTUVWZGYBZDG-JSFADZTLSA-N 2 1 362.562 3.487 20 0 FGADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cnn1C(C)(C)C ZINC000364919242 498209059 /nfs/dbraw/zinc/20/90/59/498209059.db2.gz VAOTUVWZGYBZDG-JSFADZTLSA-N 2 1 362.562 3.487 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000360323258 498265204 /nfs/dbraw/zinc/26/52/04/498265204.db2.gz NULHFUPBUNKSHG-FPOVZHCZSA-N 2 1 358.526 3.002 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000360323258 498265210 /nfs/dbraw/zinc/26/52/10/498265210.db2.gz NULHFUPBUNKSHG-FPOVZHCZSA-N 2 1 358.526 3.002 20 0 FGADMP C[NH+](C)C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000360354974 498267911 /nfs/dbraw/zinc/26/79/11/498267911.db2.gz MXPPOMBEKMYLCK-QGZVFWFLSA-N 2 1 358.530 3.046 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@@H]21 ZINC000575803054 506008993 /nfs/dbraw/zinc/00/89/93/506008993.db2.gz ATPFVVFNCJADCX-VBNZEHGJSA-N 2 1 355.404 3.093 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1O ZINC000289754809 498278939 /nfs/dbraw/zinc/27/89/39/498278939.db2.gz MSSLNRCIAHIASA-MRXNPFEDSA-N 2 1 356.466 3.084 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000365082439 498288598 /nfs/dbraw/zinc/28/85/98/498288598.db2.gz LLHBOBTVUMVWPD-IUODEOHRSA-N 2 1 366.387 3.142 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638111 498291845 /nfs/dbraw/zinc/29/18/45/498291845.db2.gz NHGWLNIUHQWSKL-FDFHNCONSA-N 2 1 362.521 3.397 20 0 FGADMP Cn1cc(C[N@H+]2C[C@@H]3[C@H](c4ccccc4)[NH+](C)C[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790249 498308338 /nfs/dbraw/zinc/30/83/38/498308338.db2.gz CSKYTYHDWZGURB-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@@H]3[C@H](c4ccccc4)[NH+](C)C[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790249 498308347 /nfs/dbraw/zinc/30/83/47/498308347.db2.gz CSKYTYHDWZGURB-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@@H]3[C@H](c4ccccc4)[N@@H+](C)C[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790249 498308353 /nfs/dbraw/zinc/30/83/53/498308353.db2.gz CSKYTYHDWZGURB-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@@H]3[C@H](c4ccccc4)[N@H+](C)C[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790249 498308360 /nfs/dbraw/zinc/30/83/60/498308360.db2.gz CSKYTYHDWZGURB-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP CCCc1cc(N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000301968391 498348390 /nfs/dbraw/zinc/34/83/90/498348390.db2.gz PKLHDJAUXJZHPQ-FQEVSTJZSA-N 2 1 366.509 3.106 20 0 FGADMP CN(C)C(=O)c1ccc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000361154315 498352289 /nfs/dbraw/zinc/35/22/89/498352289.db2.gz PRKAVQPBUSXOAA-HXUWFJFHSA-N 2 1 368.525 3.203 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)o1 ZINC000282032508 498365990 /nfs/dbraw/zinc/36/59/90/498365990.db2.gz LAJIQHGPGIAOAB-HNNXBMFYSA-N 2 1 357.454 3.369 20 0 FGADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000293409368 498374978 /nfs/dbraw/zinc/37/49/78/498374978.db2.gz YUZMCDWAZQLWKO-LJQANCHMSA-N 2 1 358.457 3.081 20 0 FGADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000293409368 498374984 /nfs/dbraw/zinc/37/49/84/498374984.db2.gz YUZMCDWAZQLWKO-LJQANCHMSA-N 2 1 358.457 3.081 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878936 506024556 /nfs/dbraw/zinc/02/45/56/506024556.db2.gz DOZHGSPQWDYJGN-QFBILLFUSA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878936 506024560 /nfs/dbraw/zinc/02/45/60/506024560.db2.gz DOZHGSPQWDYJGN-QFBILLFUSA-N 2 1 365.949 3.427 20 0 FGADMP C[C@@H]1CC[C@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000361812643 498435476 /nfs/dbraw/zinc/43/54/76/498435476.db2.gz KPOBWZSFKTUNDA-QUCCMNQESA-N 2 1 363.590 3.467 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000290148890 498443595 /nfs/dbraw/zinc/44/35/95/498443595.db2.gz WLXKZPHOFPLDQP-ONEGZZNKSA-N 2 1 363.496 3.468 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846615 506035100 /nfs/dbraw/zinc/03/51/00/506035100.db2.gz LFRDXAQXBVQXHA-XUVXKRRUSA-N 3 1 360.546 3.014 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293662726 498446070 /nfs/dbraw/zinc/44/60/70/498446070.db2.gz NYKDJCYSBUHXPC-LJQANCHMSA-N 2 1 359.905 3.147 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445092 498470560 /nfs/dbraw/zinc/47/05/60/498470560.db2.gz VAGADMGFPHONEQ-HSALFYBXSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445092 498470567 /nfs/dbraw/zinc/47/05/67/498470567.db2.gz VAGADMGFPHONEQ-HSALFYBXSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445092 498470571 /nfs/dbraw/zinc/47/05/71/498470571.db2.gz VAGADMGFPHONEQ-HSALFYBXSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445092 498470576 /nfs/dbraw/zinc/47/05/76/498470576.db2.gz VAGADMGFPHONEQ-HSALFYBXSA-N 2 1 354.494 3.069 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccncc2)s1 ZINC000575956251 506041375 /nfs/dbraw/zinc/04/13/75/506041375.db2.gz QEOYEOLZBWHHLM-SFHVURJKSA-N 2 1 373.570 3.053 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000302502419 498495895 /nfs/dbraw/zinc/49/58/95/498495895.db2.gz ALJXGFGBKNOVBT-AWEZNQCLSA-N 2 1 358.267 3.111 20 0 FGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290338285 498515144 /nfs/dbraw/zinc/51/51/44/498515144.db2.gz FGDLSXQIHAYEOP-GOSISDBHSA-N 2 1 362.514 3.266 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917151 506046531 /nfs/dbraw/zinc/04/65/31/506046531.db2.gz WPYCKKHUYAOZLO-NHCUHLMSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917151 506046534 /nfs/dbraw/zinc/04/65/34/506046534.db2.gz WPYCKKHUYAOZLO-NHCUHLMSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917151 506046540 /nfs/dbraw/zinc/04/65/40/506046540.db2.gz WPYCKKHUYAOZLO-NHCUHLMSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917151 506046544 /nfs/dbraw/zinc/04/65/44/506046544.db2.gz WPYCKKHUYAOZLO-NHCUHLMSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917151 506046547 /nfs/dbraw/zinc/04/65/47/506046547.db2.gz WPYCKKHUYAOZLO-NHCUHLMSSA-N 2 1 363.590 3.469 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000290348051 498519163 /nfs/dbraw/zinc/51/91/63/498519163.db2.gz PWMVYULKJFCJBB-HXUWFJFHSA-N 2 1 358.461 3.187 20 0 FGADMP C[C@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703703 498541881 /nfs/dbraw/zinc/54/18/81/498541881.db2.gz RROONGSNKBSZOW-OXJNMPFZSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703703 498541888 /nfs/dbraw/zinc/54/18/88/498541888.db2.gz RROONGSNKBSZOW-OXJNMPFZSA-N 2 1 372.944 3.346 20 0 FGADMP C(CC[N@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000362774561 498551504 /nfs/dbraw/zinc/55/15/04/498551504.db2.gz LMFHPMPXRUFXOB-FGZHOGPDSA-N 2 1 364.574 3.264 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000362801521 498555753 /nfs/dbraw/zinc/55/57/53/498555753.db2.gz GSEIKMFDYJKPLE-GCJKJVERSA-N 2 1 365.521 3.089 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000362801521 498555763 /nfs/dbraw/zinc/55/57/63/498555763.db2.gz GSEIKMFDYJKPLE-GCJKJVERSA-N 2 1 365.521 3.089 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000362801520 498555941 /nfs/dbraw/zinc/55/59/41/498555941.db2.gz GSEIKMFDYJKPLE-AVRDEDQJSA-N 2 1 365.521 3.089 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000362801520 498555949 /nfs/dbraw/zinc/55/59/49/498555949.db2.gz GSEIKMFDYJKPLE-AVRDEDQJSA-N 2 1 365.521 3.089 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000362849883 498566360 /nfs/dbraw/zinc/56/63/60/498566360.db2.gz FJFXCQNPOLOWQJ-UHFFFAOYSA-N 2 1 362.493 3.144 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572807731 506056106 /nfs/dbraw/zinc/05/61/06/506056106.db2.gz GJNBZRYJVCKBLH-WMZOPIPTSA-N 2 1 360.546 3.338 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572807731 506056108 /nfs/dbraw/zinc/05/61/08/506056108.db2.gz GJNBZRYJVCKBLH-WMZOPIPTSA-N 2 1 360.546 3.338 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000576016179 506056940 /nfs/dbraw/zinc/05/69/40/506056940.db2.gz LFLOSYGJURTQJX-HIFRSBDPSA-N 2 1 367.440 3.079 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000572823074 506060681 /nfs/dbraw/zinc/06/06/81/506060681.db2.gz HTZVVWMZRQHJJM-GOSISDBHSA-N 2 1 356.514 3.251 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282673157 498605969 /nfs/dbraw/zinc/60/59/69/498605969.db2.gz JFWXOFMRVFFVBS-LEWJYISDSA-N 2 1 358.526 3.082 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000569934097 506051090 /nfs/dbraw/zinc/05/10/90/506051090.db2.gz VZEHACSHWRERSA-UHFFFAOYSA-N 2 1 360.546 3.017 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000569934097 506051093 /nfs/dbraw/zinc/05/10/93/506051093.db2.gz VZEHACSHWRERSA-UHFFFAOYSA-N 2 1 360.546 3.017 20 0 FGADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000576046568 506064064 /nfs/dbraw/zinc/06/40/64/506064064.db2.gz UCGJRCKKKMBVIN-KRWDZBQOSA-N 2 1 364.415 3.385 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000302937367 498631169 /nfs/dbraw/zinc/63/11/69/498631169.db2.gz ASABJMXLXIWZOM-SFHLNBCPSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303078236 498646728 /nfs/dbraw/zinc/64/67/28/498646728.db2.gz SHBWJSXZIIGVQO-QUCCMNQESA-N 2 1 363.521 3.130 20 0 FGADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303215068 498655480 /nfs/dbraw/zinc/65/54/80/498655480.db2.gz SUIXJASQCQQRJC-QUCCMNQESA-N 2 1 364.505 3.153 20 0 FGADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303215068 498655485 /nfs/dbraw/zinc/65/54/85/498655485.db2.gz SUIXJASQCQQRJC-QUCCMNQESA-N 2 1 364.505 3.153 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303316230 498664322 /nfs/dbraw/zinc/66/43/22/498664322.db2.gz SHYOQBQEFHFOOS-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461425 498676883 /nfs/dbraw/zinc/67/68/83/498676883.db2.gz LPGZXOCCBITRLX-RBUKOAKNSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303461425 498676886 /nfs/dbraw/zinc/67/68/86/498676886.db2.gz LPGZXOCCBITRLX-RBUKOAKNSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303461425 498676890 /nfs/dbraw/zinc/67/68/90/498676890.db2.gz LPGZXOCCBITRLX-RBUKOAKNSA-N 2 1 374.573 3.317 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1OC ZINC000363175160 498686533 /nfs/dbraw/zinc/68/65/33/498686533.db2.gz OQIFDWLXLSNQJL-UKBAYJJMSA-N 2 1 362.514 3.244 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccn2ccnc2c1 ZINC000290844270 498697610 /nfs/dbraw/zinc/69/76/10/498697610.db2.gz YXBVFWYDRHSAHF-SFHVURJKSA-N 2 1 363.465 3.320 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)C1 ZINC000298223391 498700051 /nfs/dbraw/zinc/70/00/51/498700051.db2.gz AQROGTMBQHUNDO-HDICACEKSA-N 2 1 363.509 3.497 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)C1 ZINC000298223391 498700052 /nfs/dbraw/zinc/70/00/52/498700052.db2.gz AQROGTMBQHUNDO-HDICACEKSA-N 2 1 363.509 3.497 20 0 FGADMP FC(F)(F)COCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311213780 498750736 /nfs/dbraw/zinc/75/07/36/498750736.db2.gz LYDUMKGPHJPSOR-ROUUACIJSA-N 2 1 356.432 3.409 20 0 FGADMP FC(F)(F)COCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000311213780 498750739 /nfs/dbraw/zinc/75/07/39/498750739.db2.gz LYDUMKGPHJPSOR-ROUUACIJSA-N 2 1 356.432 3.409 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000311798417 498753490 /nfs/dbraw/zinc/75/34/90/498753490.db2.gz NCBLKKBRPKNCLE-HXUWFJFHSA-N 3 1 350.510 3.162 20 0 FGADMP c1ccc(CN2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000311798417 498753495 /nfs/dbraw/zinc/75/34/95/498753495.db2.gz NCBLKKBRPKNCLE-HXUWFJFHSA-N 2 1 350.510 3.162 20 0 FGADMP Fc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000581895814 506084889 /nfs/dbraw/zinc/08/48/89/506084889.db2.gz QJGYTCVMQIUCCK-OAQYLSRUSA-N 2 1 354.469 3.426 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000311798414 498754915 /nfs/dbraw/zinc/75/49/15/498754915.db2.gz NCBLKKBRPKNCLE-FQEVSTJZSA-N 3 1 350.510 3.162 20 0 FGADMP c1ccc(CN2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000311798414 498754917 /nfs/dbraw/zinc/75/49/17/498754917.db2.gz NCBLKKBRPKNCLE-FQEVSTJZSA-N 2 1 350.510 3.162 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000313115928 498765232 /nfs/dbraw/zinc/76/52/32/498765232.db2.gz ZSEVLTPXKUEDOQ-BHDDXSALSA-N 2 1 364.489 3.473 20 0 FGADMP C[C@H]1C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091763 506088331 /nfs/dbraw/zinc/08/83/31/506088331.db2.gz IGSSFQUEBHHNSA-RBBKRZOGSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091763 506088337 /nfs/dbraw/zinc/08/83/37/506088337.db2.gz IGSSFQUEBHHNSA-RBBKRZOGSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091763 506088340 /nfs/dbraw/zinc/08/83/40/506088340.db2.gz IGSSFQUEBHHNSA-RBBKRZOGSA-N 2 1 371.569 3.274 20 0 FGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000287569090 498799930 /nfs/dbraw/zinc/79/99/30/498799930.db2.gz GRFOYQNJAKVXKS-ROUUACIJSA-N 2 1 356.432 3.393 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363413895 498807508 /nfs/dbraw/zinc/80/75/08/498807508.db2.gz IJPSMMHGPHMGIJ-HOJAQTOUSA-N 2 1 355.526 3.473 20 0 FGADMP Cc1ncsc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581932130 506093118 /nfs/dbraw/zinc/09/31/18/506093118.db2.gz KYYBOIXUQKUUAH-IBGZPJMESA-N 2 1 371.550 3.470 20 0 FGADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](C2CCOCC2)CC1 ZINC000363507969 498853138 /nfs/dbraw/zinc/85/31/38/498853138.db2.gz FVOBUMWYGUJOAG-UHFFFAOYSA-N 2 1 355.482 3.016 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000332989508 498859634 /nfs/dbraw/zinc/85/96/34/498859634.db2.gz FSRVTNYMJACFRM-JZRYZNKLSA-N 2 1 372.557 3.401 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000332989508 498859640 /nfs/dbraw/zinc/85/96/40/498859640.db2.gz FSRVTNYMJACFRM-JZRYZNKLSA-N 2 1 372.557 3.401 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326775 498875959 /nfs/dbraw/zinc/87/59/59/498875959.db2.gz FTOLKAHZQXASPJ-YZGWKJHDSA-N 2 1 371.912 3.019 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(N(C)C)cc3C)CC2)CC1 ZINC000573077987 506113205 /nfs/dbraw/zinc/11/32/05/506113205.db2.gz VOQIWPSXWXMXSR-UHFFFAOYSA-N 2 1 372.557 3.196 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532839 498968010 /nfs/dbraw/zinc/96/80/10/498968010.db2.gz TWQDKLOEIVSDKT-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532839 498968015 /nfs/dbraw/zinc/96/80/15/498968015.db2.gz TWQDKLOEIVSDKT-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532839 498968022 /nfs/dbraw/zinc/96/80/22/498968022.db2.gz TWQDKLOEIVSDKT-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP Fc1ccc([C@H](NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000363829786 499015148 /nfs/dbraw/zinc/01/51/48/499015148.db2.gz TXKRSMOYKMDMID-STZQEDGTSA-N 2 1 369.484 3.401 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCc2ncsc2C1)C1CC[NH+](C)CC1 ZINC000363846381 499022806 /nfs/dbraw/zinc/02/28/06/499022806.db2.gz CCVLHKCGKPYRSR-UHFFFAOYSA-N 2 1 356.539 3.232 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCc2ncsc2C1)C1CC[NH+](C)CC1 ZINC000363846381 499022808 /nfs/dbraw/zinc/02/28/08/499022808.db2.gz CCVLHKCGKPYRSR-UHFFFAOYSA-N 2 1 356.539 3.232 20 0 FGADMP Cc1cc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cs1 ZINC000295458973 499023928 /nfs/dbraw/zinc/02/39/28/499023928.db2.gz QRJXJEWTKYXYKM-UHFFFAOYSA-N 2 1 373.522 3.007 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000366819498 499083664 /nfs/dbraw/zinc/08/36/64/499083664.db2.gz GJWQTZCTIFSQDU-YTQUADARSA-N 2 1 357.523 3.256 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(N4CCCC4)cc3)C2)CC1 ZINC000366868605 499100825 /nfs/dbraw/zinc/10/08/25/499100825.db2.gz YRLFWRNLHIBFNO-UHFFFAOYSA-N 2 1 370.541 3.033 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000364051644 499101005 /nfs/dbraw/zinc/10/10/05/499101005.db2.gz KUEWVQNPEOMOOQ-SJLPKXTDSA-N 2 1 366.575 3.114 20 0 FGADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284483126 499114795 /nfs/dbraw/zinc/11/47/95/499114795.db2.gz WMQZPTXUFRVRRY-OAHLLOKOSA-N 2 1 372.465 3.390 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000576328709 506132073 /nfs/dbraw/zinc/13/20/73/506132073.db2.gz CTZNHRGHTSGRCR-MAUKXSAKSA-N 2 1 358.511 3.411 20 0 FGADMP COc1ccc2c(c1)[C@@H](C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000367043393 499138700 /nfs/dbraw/zinc/13/87/00/499138700.db2.gz PWBBFIMYXDEUIP-IBGZPJMESA-N 2 1 359.558 3.073 20 0 FGADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367058666 499141832 /nfs/dbraw/zinc/14/18/32/499141832.db2.gz WFLGZERWJBQRGG-MSOLQXFVSA-N 2 1 358.530 3.046 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537285 499141990 /nfs/dbraw/zinc/14/19/90/499141990.db2.gz BMUIGPMCDVQTHT-MDNKFWRPSA-N 2 1 360.546 3.273 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]1c1cccnc1 ZINC000372539255 499142761 /nfs/dbraw/zinc/14/27/61/499142761.db2.gz PIRRMMPZTOIKPX-LPHOPBHVSA-N 2 1 373.884 3.289 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]1c1cccnc1 ZINC000372539255 499142763 /nfs/dbraw/zinc/14/27/63/499142763.db2.gz PIRRMMPZTOIKPX-LPHOPBHVSA-N 2 1 373.884 3.289 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000367111027 499150556 /nfs/dbraw/zinc/15/05/56/499150556.db2.gz QRDYITKCHDOTJW-QGZVFWFLSA-N 2 1 372.944 3.348 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000367111027 499150558 /nfs/dbraw/zinc/15/05/58/499150558.db2.gz QRDYITKCHDOTJW-QGZVFWFLSA-N 2 1 372.944 3.348 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2ccc(F)cc2C1 ZINC000369933999 499153908 /nfs/dbraw/zinc/15/39/08/499153908.db2.gz PUFKDCSWSXTURA-NRFANRHFSA-N 2 1 361.505 3.329 20 0 FGADMP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367308868 499177991 /nfs/dbraw/zinc/17/79/91/499177991.db2.gz FQGOTTXQZRPAFR-WBVHZDCISA-N 2 1 367.497 3.389 20 0 FGADMP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(OC)ccc3Cl)CC2)CC1 ZINC000372816925 499179750 /nfs/dbraw/zinc/17/97/50/499179750.db2.gz WUHLLNQODJLASV-UHFFFAOYSA-N 2 1 365.949 3.341 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@H](O)c3ccccc3)CC2)CC1 ZINC000367362147 499188381 /nfs/dbraw/zinc/18/83/81/499188381.db2.gz UWPUFTRMSBXDDS-QHCPKHFHSA-N 3 1 373.585 3.238 20 0 FGADMP C[N@H+](CC[C@H](O)c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367362147 499188384 /nfs/dbraw/zinc/18/83/84/499188384.db2.gz UWPUFTRMSBXDDS-QHCPKHFHSA-N 3 1 373.585 3.238 20 0 FGADMP C[N@@H+](CC[C@H](O)c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367362147 499188386 /nfs/dbraw/zinc/18/83/86/499188386.db2.gz UWPUFTRMSBXDDS-QHCPKHFHSA-N 3 1 373.585 3.238 20 0 FGADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2ccccn2)CC1 ZINC000367421608 499196932 /nfs/dbraw/zinc/19/69/32/499196932.db2.gz DUBNJSLCFJCUDL-UHFFFAOYSA-N 2 1 351.498 3.178 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@@H](C)O1 ZINC000367438998 499198855 /nfs/dbraw/zinc/19/88/55/499198855.db2.gz QURGRWXBCGSRTI-IAGOWNOFSA-N 2 1 360.546 3.095 20 0 FGADMP CN(C)C(=O)Sc1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000370252195 499202390 /nfs/dbraw/zinc/20/23/90/499202390.db2.gz PEXCBEGBOWTKLP-QRQLOZEOSA-N 2 1 359.539 3.376 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579290833 506137699 /nfs/dbraw/zinc/13/76/99/506137699.db2.gz NVBNSRGOYGHUAC-KIZRIRGWSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579290833 506137701 /nfs/dbraw/zinc/13/77/01/506137701.db2.gz NVBNSRGOYGHUAC-KIZRIRGWSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579290833 506137704 /nfs/dbraw/zinc/13/77/04/506137704.db2.gz NVBNSRGOYGHUAC-KIZRIRGWSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579290833 506137707 /nfs/dbraw/zinc/13/77/07/506137707.db2.gz NVBNSRGOYGHUAC-KIZRIRGWSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367551730 499211734 /nfs/dbraw/zinc/21/17/34/499211734.db2.gz AQVCDDUXALUWOJ-NRFANRHFSA-N 2 1 370.585 3.147 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccccc3-n3ccnn3)CC2)[nH+]c1 ZINC000367614827 499217851 /nfs/dbraw/zinc/21/78/51/499217851.db2.gz JBCSTDNTRPKFRC-KRWDZBQOSA-N 2 1 362.481 3.290 20 0 FGADMP CC(C)n1nccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370478577 499224408 /nfs/dbraw/zinc/22/44/08/499224408.db2.gz VAGCQJNKKGTLKM-UHFFFAOYSA-N 2 1 361.578 3.092 20 0 FGADMP CCc1ccccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367889039 499242070 /nfs/dbraw/zinc/24/20/70/499242070.db2.gz ZXFSBQUSWQJMOR-UHFFFAOYSA-N 2 1 366.509 3.431 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705833 499246219 /nfs/dbraw/zinc/24/62/19/499246219.db2.gz JOFWWFBXPGPUGM-WMZHIEFXSA-N 2 1 364.537 3.206 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1C ZINC000368028313 499256752 /nfs/dbraw/zinc/25/67/52/499256752.db2.gz COZNDHPOFMINIC-CQSZACIVSA-N 2 1 352.438 3.157 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000370844595 499261378 /nfs/dbraw/zinc/26/13/78/499261378.db2.gz DBUYYOSYXWLBGS-NRFANRHFSA-N 2 1 371.569 3.383 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)CCC[N@@H+]2C)cc1 ZINC000368114918 499266030 /nfs/dbraw/zinc/26/60/30/499266030.db2.gz KMCLGCJVEJHZSP-YVWKXTFCSA-N 2 1 371.529 3.083 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)CCC[N@H+]2C)cc1 ZINC000368114918 499266032 /nfs/dbraw/zinc/26/60/32/499266032.db2.gz KMCLGCJVEJHZSP-YVWKXTFCSA-N 2 1 371.529 3.083 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3([C@@H](C)CCO)CCC3)sc2C1 ZINC000368167714 499270757 /nfs/dbraw/zinc/27/07/57/499270757.db2.gz MXOZDQKHKPELIU-HNNXBMFYSA-N 2 1 351.560 3.188 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3([C@@H](C)CCO)CCC3)sc2C1 ZINC000368167714 499270758 /nfs/dbraw/zinc/27/07/58/499270758.db2.gz MXOZDQKHKPELIU-HNNXBMFYSA-N 2 1 351.560 3.188 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]Cc3cc(F)cc(F)c3)CC2)CC1 ZINC000371064407 499285514 /nfs/dbraw/zinc/28/55/14/499285514.db2.gz SJMGUSVZWHTNAQ-UHFFFAOYSA-N 3 1 351.485 3.251 20 0 FGADMP Cc1cccc(CCC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000371077771 499286728 /nfs/dbraw/zinc/28/67/28/499286728.db2.gz DSOXRUGVOXBRRF-UHFFFAOYSA-N 2 1 371.569 3.240 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000368342316 499287090 /nfs/dbraw/zinc/28/70/90/499287090.db2.gz GILUZRDJAXFNFM-HXUWFJFHSA-N 2 1 359.558 3.173 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000368354030 499288011 /nfs/dbraw/zinc/28/80/11/499288011.db2.gz GDHFIRNMCCELLZ-BMQTXXJKSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000368354030 499288012 /nfs/dbraw/zinc/28/80/12/499288012.db2.gz GDHFIRNMCCELLZ-BMQTXXJKSA-N 2 1 363.546 3.240 20 0 FGADMP Cc1noc(C2CCC([NH2+]CC3([NH+]4CCCCC4)CCOCC3)CC2)n1 ZINC000368361960 499288823 /nfs/dbraw/zinc/28/88/23/499288823.db2.gz DWXHFTIRLHSANR-UHFFFAOYSA-N 2 1 362.518 3.029 20 0 FGADMP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[N@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110534 499289422 /nfs/dbraw/zinc/28/94/22/499289422.db2.gz ZITYZYAJJKQHGJ-SJORKVTESA-N 2 1 356.539 3.482 20 0 FGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265746 499303973 /nfs/dbraw/zinc/30/39/73/499303973.db2.gz DUPCRYAOGGBPAG-HOTGVXAUSA-N 2 1 353.913 3.500 20 0 FGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265746 499303974 /nfs/dbraw/zinc/30/39/74/499303974.db2.gz DUPCRYAOGGBPAG-HOTGVXAUSA-N 2 1 353.913 3.500 20 0 FGADMP CSCC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368522821 499304424 /nfs/dbraw/zinc/30/44/24/499304424.db2.gz RPRQUZJEDASIRD-UHFFFAOYSA-N 2 1 369.619 3.030 20 0 FGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000368565835 499308175 /nfs/dbraw/zinc/30/81/75/499308175.db2.gz GAJFJZFOEFYQSN-JOCHJYFZSA-N 2 1 353.510 3.203 20 0 FGADMP Cc1ccncc1CCC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000368565835 499308176 /nfs/dbraw/zinc/30/81/76/499308176.db2.gz GAJFJZFOEFYQSN-JOCHJYFZSA-N 2 1 353.510 3.203 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc1 ZINC000371320365 499309901 /nfs/dbraw/zinc/30/99/01/499309901.db2.gz CDOBQYYEZGSNPG-IBGZPJMESA-N 2 1 355.526 3.085 20 0 FGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371337994 499312448 /nfs/dbraw/zinc/31/24/48/499312448.db2.gz XTHCSHHOYXASAY-HXUWFJFHSA-N 2 1 367.537 3.449 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610917 499313206 /nfs/dbraw/zinc/31/32/06/499313206.db2.gz GSQAWNHXLPXDBU-QFBILLFUSA-N 2 1 366.933 3.339 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610917 499313208 /nfs/dbraw/zinc/31/32/08/499313208.db2.gz GSQAWNHXLPXDBU-QFBILLFUSA-N 2 1 366.933 3.339 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1cccc(-c2nccn2C)c1 ZINC000371446804 499327554 /nfs/dbraw/zinc/32/75/54/499327554.db2.gz HDBSDARAQPUGRU-IBGZPJMESA-N 2 1 369.513 3.103 20 0 FGADMP OC[C@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000371451672 499328175 /nfs/dbraw/zinc/32/81/75/499328175.db2.gz SORKICLKGKKIHG-FCHUYYIVSA-N 2 1 360.542 3.105 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC(C)C ZINC000371470817 499331421 /nfs/dbraw/zinc/33/14/21/499331421.db2.gz OQMXNRGWNFLECT-WSTZPKSXSA-N 2 1 362.514 3.166 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC(C)C ZINC000371470817 499331423 /nfs/dbraw/zinc/33/14/23/499331423.db2.gz OQMXNRGWNFLECT-WSTZPKSXSA-N 2 1 362.514 3.166 20 0 FGADMP CC[N@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000371523198 499337863 /nfs/dbraw/zinc/33/78/63/499337863.db2.gz BXJVWUZRHWBQQX-QGZVFWFLSA-N 2 1 358.530 3.094 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000371523198 499337865 /nfs/dbraw/zinc/33/78/65/499337865.db2.gz BXJVWUZRHWBQQX-QGZVFWFLSA-N 2 1 358.530 3.094 20 0 FGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000369194352 499376026 /nfs/dbraw/zinc/37/60/26/499376026.db2.gz OZEHHSKOXHZUDU-LEWJYISDSA-N 2 1 358.574 3.279 20 0 FGADMP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372234384 499411496 /nfs/dbraw/zinc/41/14/96/499411496.db2.gz YCMDHUPDPDAHJU-AZUAARDMSA-N 3 1 352.526 3.262 20 0 FGADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369571212 499420295 /nfs/dbraw/zinc/42/02/95/499420295.db2.gz VRCBMAQBFUGWIE-QWFCFKBJSA-N 2 1 371.550 3.030 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182020 499488284 /nfs/dbraw/zinc/48/82/84/499488284.db2.gz FZFQAWXMKBLLNF-QRVBRYPASA-N 2 1 368.562 3.368 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000378202848 499490118 /nfs/dbraw/zinc/49/01/18/499490118.db2.gz OYCRDJZPLQDEER-LJQANCHMSA-N 2 1 357.542 3.055 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000378351550 499505611 /nfs/dbraw/zinc/50/56/11/499505611.db2.gz AGLPHTUHAREKBE-LJQANCHMSA-N 2 1 355.526 3.085 20 0 FGADMP CC[C@H]1CC[C@H](C)N1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378388297 499510844 /nfs/dbraw/zinc/51/08/44/499510844.db2.gz HOZXMNRBMXLRDV-HKUYNNGSSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1nc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)c2n1CCCC2 ZINC000378424574 499515456 /nfs/dbraw/zinc/51/54/56/499515456.db2.gz DNFSFGSKQUZESF-MRXNPFEDSA-N 2 1 356.514 3.319 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000385371382 499548324 /nfs/dbraw/zinc/54/83/24/499548324.db2.gz CCIZJYXLJCCBBP-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000385371382 499548325 /nfs/dbraw/zinc/54/83/25/499548325.db2.gz CCIZJYXLJCCBBP-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP CN1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000375691955 499545685 /nfs/dbraw/zinc/54/56/85/499545685.db2.gz KOISEUOXRBLTRX-HXUWFJFHSA-N 2 1 363.505 3.207 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000375713160 499548280 /nfs/dbraw/zinc/54/82/80/499548280.db2.gz WVIOQPYVQKWAFJ-YUMYIRISSA-N 2 1 362.521 3.428 20 0 FGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)CCOCC2)cc1 ZINC000375847439 499561843 /nfs/dbraw/zinc/56/18/43/499561843.db2.gz AZMVETFYQXEDHG-NJYVYQBISA-N 2 1 358.526 3.206 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000401658317 499569546 /nfs/dbraw/zinc/56/95/46/499569546.db2.gz VYJARFNBATWULX-UHFFFAOYSA-N 2 1 373.092 3.277 20 0 FGADMP Cn1c2ccccc2nc1CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376179234 499589090 /nfs/dbraw/zinc/58/90/90/499589090.db2.gz YTMXYBMHTJQAHT-UHFFFAOYSA-N 2 1 363.509 3.359 20 0 FGADMP COc1cccc(-c2noc(CN[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000376305816 499599208 /nfs/dbraw/zinc/59/92/08/499599208.db2.gz KHSTVKCNQCXRKY-DOTOQJQBSA-N 2 1 370.497 3.488 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1nnc(-c2ccccc2)s1 ZINC000376805897 499635631 /nfs/dbraw/zinc/63/56/31/499635631.db2.gz YDELOPBYXABNKK-KBAYOESNSA-N 2 1 372.538 3.184 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000376854109 499640937 /nfs/dbraw/zinc/64/09/37/499640937.db2.gz GWXSYMFPDRKONK-MSOLQXFVSA-N 2 1 362.518 3.385 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000573253846 506154650 /nfs/dbraw/zinc/15/46/50/506154650.db2.gz GQMXJIATOGIQEF-HFKUYRRBSA-N 2 1 357.542 3.167 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+]([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307405 499678522 /nfs/dbraw/zinc/67/85/22/499678522.db2.gz IOTBCMVOHVLUNK-YLJYHZDGSA-N 2 1 353.510 3.136 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550179 499703649 /nfs/dbraw/zinc/70/36/49/499703649.db2.gz OCELXKRLEFRUBM-ZAAXVRCTSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550179 499703651 /nfs/dbraw/zinc/70/36/51/499703651.db2.gz OCELXKRLEFRUBM-ZAAXVRCTSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550179 499703653 /nfs/dbraw/zinc/70/36/53/499703653.db2.gz OCELXKRLEFRUBM-ZAAXVRCTSA-N 2 1 352.482 3.232 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000377643290 499714564 /nfs/dbraw/zinc/71/45/64/499714564.db2.gz GETONEVCLXBEBQ-MRXNPFEDSA-N 2 1 373.522 3.147 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C1CCN(c2ccccn2)CC1 ZINC000377643290 499714565 /nfs/dbraw/zinc/71/45/65/499714565.db2.gz GETONEVCLXBEBQ-MRXNPFEDSA-N 2 1 373.522 3.147 20 0 FGADMP COc1ccc2oc(CN3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cc2c1 ZINC000377692863 499720748 /nfs/dbraw/zinc/72/07/48/499720748.db2.gz GZIAZVOTMXZTMK-DFNIBXOVSA-N 2 1 369.509 3.184 20 0 FGADMP COc1ccc2oc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cc2c1 ZINC000377692863 499720749 /nfs/dbraw/zinc/72/07/49/499720749.db2.gz GZIAZVOTMXZTMK-DFNIBXOVSA-N 2 1 369.509 3.184 20 0 FGADMP COc1ccc2oc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cc2c1 ZINC000377692863 499720750 /nfs/dbraw/zinc/72/07/50/499720750.db2.gz GZIAZVOTMXZTMK-DFNIBXOVSA-N 2 1 369.509 3.184 20 0 FGADMP CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281709 499721328 /nfs/dbraw/zinc/72/13/28/499721328.db2.gz AYEXMPPEGOMOLH-QZTJIDSGSA-N 2 1 364.555 3.099 20 0 FGADMP CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281709 499721330 /nfs/dbraw/zinc/72/13/30/499721330.db2.gz AYEXMPPEGOMOLH-QZTJIDSGSA-N 2 1 364.555 3.099 20 0 FGADMP CCN1CC[N@@H+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ncc[nH]1 ZINC000377699673 499721959 /nfs/dbraw/zinc/72/19/59/499721959.db2.gz QMYXQRNMQMMUCS-JXFKEZNVSA-N 2 1 364.497 3.344 20 0 FGADMP CCN1CC[N@H+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ncc[nH]1 ZINC000377699673 499721960 /nfs/dbraw/zinc/72/19/60/499721960.db2.gz QMYXQRNMQMMUCS-JXFKEZNVSA-N 2 1 364.497 3.344 20 0 FGADMP C[C@@H](CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000411331414 499726467 /nfs/dbraw/zinc/72/64/67/499726467.db2.gz MMYCYJYKABSOMU-YUBLJMCLSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H](CC[NH+](C)[C@H]1CCN(C)[C@@H](C)C1)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331414 499726469 /nfs/dbraw/zinc/72/64/69/499726469.db2.gz MMYCYJYKABSOMU-YUBLJMCLSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H](CC[NH+](C)[C@H]1CCN(C)[C@@H](C)C1)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331414 499726472 /nfs/dbraw/zinc/72/64/72/499726472.db2.gz MMYCYJYKABSOMU-YUBLJMCLSA-N 2 1 366.638 3.232 20 0 FGADMP Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)[nH]1 ZINC000411344659 499727944 /nfs/dbraw/zinc/72/79/44/499727944.db2.gz JFSRMPZEVFSSEF-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411344659 499727945 /nfs/dbraw/zinc/72/79/45/499727945.db2.gz JFSRMPZEVFSSEF-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000411344659 499727946 /nfs/dbraw/zinc/72/79/46/499727946.db2.gz JFSRMPZEVFSSEF-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000411344659 499727947 /nfs/dbraw/zinc/72/79/47/499727947.db2.gz JFSRMPZEVFSSEF-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n[nH]1 ZINC000411344659 499727948 /nfs/dbraw/zinc/72/79/48/499727948.db2.gz JFSRMPZEVFSSEF-HXUWFJFHSA-N 2 1 353.514 3.479 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(OC)c1OC ZINC000377758714 499729554 /nfs/dbraw/zinc/72/95/54/499729554.db2.gz DGTOCPQHDGGPMP-XLIONFOSSA-N 2 1 370.493 3.495 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(OC)c1OC ZINC000377758714 499729555 /nfs/dbraw/zinc/72/95/55/499729555.db2.gz DGTOCPQHDGGPMP-XLIONFOSSA-N 2 1 370.493 3.495 20 0 FGADMP c1cn(C[C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)nn1 ZINC000411399970 499734538 /nfs/dbraw/zinc/73/45/38/499734538.db2.gz SMYUFQZUICBMTE-OAQYLSRUSA-N 2 1 353.514 3.176 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2)CC1 ZINC000411448767 499741945 /nfs/dbraw/zinc/74/19/45/499741945.db2.gz FKUZRMUTWCWMMZ-QGZVFWFLSA-N 2 1 371.447 3.259 20 0 FGADMP CC[C@]1(CO)CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000411573187 499764782 /nfs/dbraw/zinc/76/47/82/499764782.db2.gz SLTOUKZYXWTMOY-VXKWHMMOSA-N 2 1 368.606 3.372 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411638257 499771855 /nfs/dbraw/zinc/77/18/55/499771855.db2.gz ZTMQFOLIFMJDJH-MOPGFXCFSA-N 2 1 360.546 3.339 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000411638257 499771856 /nfs/dbraw/zinc/77/18/56/499771856.db2.gz ZTMQFOLIFMJDJH-MOPGFXCFSA-N 2 1 360.546 3.339 20 0 FGADMP O[C@@H]([C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793064 499791527 /nfs/dbraw/zinc/79/15/27/499791527.db2.gz BBIAUKWFPBNSNW-ROUUACIJSA-N 2 1 356.432 3.418 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000411887759 499800219 /nfs/dbraw/zinc/80/02/19/499800219.db2.gz ZDRRBOUEFFFAML-UHFFFAOYSA-N 2 1 353.894 3.141 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000414716750 499822508 /nfs/dbraw/zinc/82/25/08/499822508.db2.gz SVKGAABVLHPYGK-LJQANCHMSA-N 2 1 374.529 3.033 20 0 FGADMP COCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414753805 499826849 /nfs/dbraw/zinc/82/68/49/499826849.db2.gz FEQCWPNSPINWBW-QWHCGFSZSA-N 2 1 361.349 3.347 20 0 FGADMP COCC[N@H+](Cc1sccc1Br)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414756899 499827263 /nfs/dbraw/zinc/82/72/63/499827263.db2.gz ROMBADMDLPHNOI-CHWSQXEVSA-N 2 1 361.349 3.347 20 0 FGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788507 499831483 /nfs/dbraw/zinc/83/14/83/499831483.db2.gz WTVPPHCUVHPUAR-KBPBESRZSA-N 2 1 353.304 3.279 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414805880 499833143 /nfs/dbraw/zinc/83/31/43/499833143.db2.gz PXNSVCKJOHAIIP-YMTOWFKASA-N 2 1 363.811 3.403 20 0 FGADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414848964 499837565 /nfs/dbraw/zinc/83/75/65/499837565.db2.gz GZACHDCMHYKXPP-OAHLLOKOSA-N 2 1 352.404 3.039 20 0 FGADMP [NH3+]C[C@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000414854089 499838254 /nfs/dbraw/zinc/83/82/54/499838254.db2.gz UIRCHRXKHVROAO-IBGZPJMESA-N 2 1 363.933 3.442 20 0 FGADMP COc1ccc([C@H]2CCNC[C@@H]2[NH2+]Cc2cc(OC)c(OC)cc2C)cc1 ZINC000414884945 499841250 /nfs/dbraw/zinc/84/12/50/499841250.db2.gz OOTNNQZAUDVATE-UXHICEINSA-N 2 1 370.493 3.256 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000414886220 499841527 /nfs/dbraw/zinc/84/15/27/499841527.db2.gz VPXHKGHEUUGAGM-RJGXRXQPSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000414886220 499841529 /nfs/dbraw/zinc/84/15/29/499841529.db2.gz VPXHKGHEUUGAGM-RJGXRXQPSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000414886220 499841531 /nfs/dbraw/zinc/84/15/31/499841531.db2.gz VPXHKGHEUUGAGM-RJGXRXQPSA-N 2 1 364.537 3.062 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000414906430 499843736 /nfs/dbraw/zinc/84/37/36/499843736.db2.gz PPJJXOMWPADKIA-NVXWUHKLSA-N 2 1 355.486 3.256 20 0 FGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414979668 499850924 /nfs/dbraw/zinc/85/09/24/499850924.db2.gz ODZUXJIYQLQQHR-SFHVURJKSA-N 2 1 350.466 3.375 20 0 FGADMP Cc1ccc(-c2nc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cs2)cc1 ZINC000415061175 499859595 /nfs/dbraw/zinc/85/95/95/499859595.db2.gz YCVOFKPRZVDXEH-UHFFFAOYSA-N 2 1 370.566 3.425 20 0 FGADMP c1ccc([C@@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091541 499862511 /nfs/dbraw/zinc/86/25/11/499862511.db2.gz QQSIYCACODWEDC-XPWALMASSA-N 2 1 365.521 3.143 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000412557781 499863215 /nfs/dbraw/zinc/86/32/15/499863215.db2.gz JLMUWKGIPPMDLF-HXUWFJFHSA-N 2 1 355.457 3.490 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000412557781 499863216 /nfs/dbraw/zinc/86/32/16/499863216.db2.gz JLMUWKGIPPMDLF-HXUWFJFHSA-N 2 1 355.457 3.490 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000415131623 499867933 /nfs/dbraw/zinc/86/79/33/499867933.db2.gz ZVPGGFSTPMOCSV-CXAGYDPISA-N 2 1 371.294 3.307 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415913635 499927722 /nfs/dbraw/zinc/92/77/22/499927722.db2.gz QBTSJRDWLQCZNT-QFBILLFUSA-N 2 1 352.482 3.191 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000415928849 499929646 /nfs/dbraw/zinc/92/96/46/499929646.db2.gz GEDBMYCRKIQKGF-UHFFFAOYSA-N 2 1 366.509 3.454 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000415933907 499930320 /nfs/dbraw/zinc/93/03/20/499930320.db2.gz PDDMPGIYERVUTC-UHFFFAOYSA-N 2 1 366.509 3.454 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415950701 499932495 /nfs/dbraw/zinc/93/24/95/499932495.db2.gz HQUCGBXDEQYGSE-YLJYHZDGSA-N 2 1 356.514 3.277 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415949488 499932543 /nfs/dbraw/zinc/93/25/43/499932543.db2.gz BZMVJRYYFNALIX-CYBMUJFWSA-N 2 1 372.435 3.264 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972034 499935473 /nfs/dbraw/zinc/93/54/73/499935473.db2.gz OLUANSHMAUCDBH-OAHLLOKOSA-N 2 1 358.408 3.112 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974734 499936065 /nfs/dbraw/zinc/93/60/65/499936065.db2.gz SASZXYVMFRPRGL-ABAIWWIYSA-N 2 1 358.408 3.111 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570425234 506165748 /nfs/dbraw/zinc/16/57/48/506165748.db2.gz MNIBAZVFAMONPJ-WOJBJXKFSA-N 2 1 364.493 3.131 20 0 FGADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429025425 499986983 /nfs/dbraw/zinc/98/69/83/499986983.db2.gz YPUKBSFBNGLAHM-GOSISDBHSA-N 2 1 367.331 3.418 20 0 FGADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429025425 499986988 /nfs/dbraw/zinc/98/69/88/499986988.db2.gz YPUKBSFBNGLAHM-GOSISDBHSA-N 2 1 367.331 3.418 20 0 FGADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429025425 499986990 /nfs/dbraw/zinc/98/69/90/499986990.db2.gz YPUKBSFBNGLAHM-GOSISDBHSA-N 2 1 367.331 3.418 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417217061 500008310 /nfs/dbraw/zinc/00/83/10/500008310.db2.gz COOXEECJBYXTQB-IXDOHACOSA-N 2 1 360.546 3.262 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417230583 500012015 /nfs/dbraw/zinc/01/20/15/500012015.db2.gz ZJUWZIVGETYTIW-GOSISDBHSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240878 500015377 /nfs/dbraw/zinc/01/53/77/500015377.db2.gz QDEDDZLHOZIGCI-PKOBYXMFSA-N 2 1 360.546 3.276 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000421371670 500029868 /nfs/dbraw/zinc/02/98/68/500029868.db2.gz KCWMZCRGGGFGJD-HYXAFXHYSA-N 2 1 363.496 3.470 20 0 FGADMP Cc1oc(-c2ccsc2)nc1CC(=O)Nc1cnccc1-n1ccnc1 ZINC000582266468 506171802 /nfs/dbraw/zinc/17/18/02/506171802.db2.gz VCHRCNUFNLTRMI-UHFFFAOYSA-N 2 1 365.418 3.473 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384517 500055433 /nfs/dbraw/zinc/05/54/33/500055433.db2.gz QLBRCTPPIHMKRZ-AZUAARDMSA-N 2 1 360.542 3.054 20 0 FGADMP O=C1CCCN1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000573339642 506175216 /nfs/dbraw/zinc/17/52/16/506175216.db2.gz RLLWQLKGXOKHSX-SFTDATJTSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1c(Cl)cccc1N1CCC[N@H+](Cc2cnc(N(C)C)n2C)CC1 ZINC000425385348 500091305 /nfs/dbraw/zinc/09/13/05/500091305.db2.gz RKELCIVQONQERY-UHFFFAOYSA-N 2 1 361.921 3.160 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555239 500101525 /nfs/dbraw/zinc/10/15/25/500101525.db2.gz VVICAZIXGQWXGF-UONOGXRCSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555239 500101529 /nfs/dbraw/zinc/10/15/29/500101529.db2.gz VVICAZIXGQWXGF-UONOGXRCSA-N 2 1 361.313 3.149 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564813 500104590 /nfs/dbraw/zinc/10/45/90/500104590.db2.gz GPDIOYYPMFWRSJ-FPOVZHCZSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564813 500104591 /nfs/dbraw/zinc/10/45/91/500104591.db2.gz GPDIOYYPMFWRSJ-FPOVZHCZSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CC[C@H](C)C3)CC2)cc1 ZINC000429564813 500104592 /nfs/dbraw/zinc/10/45/92/500104592.db2.gz GPDIOYYPMFWRSJ-FPOVZHCZSA-N 2 1 357.542 3.150 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000417586930 500117933 /nfs/dbraw/zinc/11/79/33/500117933.db2.gz RICNISNEIXLVGF-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP O=C(NCCC[C@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417591623 500119589 /nfs/dbraw/zinc/11/95/89/500119589.db2.gz XGVBNHDFHPZDIG-WVVQBRDUSA-N 2 1 370.541 3.013 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000573355147 506178818 /nfs/dbraw/zinc/17/88/18/506178818.db2.gz SMGRZOGFJQAVEE-CTNGQTDRSA-N 2 1 372.534 3.220 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702896 500152500 /nfs/dbraw/zinc/15/25/00/500152500.db2.gz JEOLDPDOYQXRIN-UYAOXDASSA-N 2 1 358.530 3.126 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)c(F)c1 ZINC000421825811 500160314 /nfs/dbraw/zinc/16/03/14/500160314.db2.gz PITCRJJQZKTUQK-HXUWFJFHSA-N 2 1 351.510 3.149 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[C@H](C(N)=O)CC2)CC1 ZINC000421852532 500163793 /nfs/dbraw/zinc/16/37/93/500163793.db2.gz HOQZSGAAMLQHOW-SNXBXODESA-N 2 1 357.542 3.311 20 0 FGADMP CCCN1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000421874843 500167711 /nfs/dbraw/zinc/16/77/11/500167711.db2.gz IPGRFTHKCTYBQH-NCYKPQTJSA-N 2 1 355.526 3.030 20 0 FGADMP COC1([C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000421876083 500168192 /nfs/dbraw/zinc/16/81/92/500168192.db2.gz YQEUCFFTPNFJCB-WLRLJWMZSA-N 2 1 358.526 3.356 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000416968384 500169328 /nfs/dbraw/zinc/16/93/28/500169328.db2.gz IXJMBLXHOPUVJZ-NQIIRXRSSA-N 2 1 374.573 3.433 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000416971403 500171086 /nfs/dbraw/zinc/17/10/86/500171086.db2.gz GRPFWKDUCBJSBQ-PBPGXSGUSA-N 2 1 358.530 3.130 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000416993436 500178582 /nfs/dbraw/zinc/17/85/82/500178582.db2.gz QFYYOQQOODTBAJ-NYUBLWNDSA-N 2 1 372.557 3.104 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000417852340 500184506 /nfs/dbraw/zinc/18/45/06/500184506.db2.gz HAYZZFOGIJDYSB-QAPCUYQASA-N 2 1 355.486 3.073 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126134 500196590 /nfs/dbraw/zinc/19/65/90/500196590.db2.gz CVZRURXMBFTTFI-SFHVURJKSA-N 2 1 364.415 3.419 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126134 500196591 /nfs/dbraw/zinc/19/65/91/500196591.db2.gz CVZRURXMBFTTFI-SFHVURJKSA-N 2 1 364.415 3.419 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126134 500196594 /nfs/dbraw/zinc/19/65/94/500196594.db2.gz CVZRURXMBFTTFI-SFHVURJKSA-N 2 1 364.415 3.419 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918762 500197703 /nfs/dbraw/zinc/19/77/03/500197703.db2.gz YJOHCXKEWGUUJJ-ICSRJNTNSA-N 2 1 360.546 3.134 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417978805 500208501 /nfs/dbraw/zinc/20/85/01/500208501.db2.gz DJMKGMYKGOJEGP-JCURWCKSSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417978805 500208505 /nfs/dbraw/zinc/20/85/05/500208505.db2.gz DJMKGMYKGOJEGP-JCURWCKSSA-N 2 1 370.900 3.039 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000430373239 500232588 /nfs/dbraw/zinc/23/25/88/500232588.db2.gz DSVQPCLYMTWRTH-RBUKOAKNSA-N 2 1 372.557 3.436 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418192421 500246728 /nfs/dbraw/zinc/24/67/28/500246728.db2.gz YRBXTEAUXYKWML-BMGDILEWSA-N 2 1 366.937 3.102 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574791 500256467 /nfs/dbraw/zinc/25/64/67/500256467.db2.gz UFCTXQCYEGVNBT-GXTWGEPZSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574791 500256468 /nfs/dbraw/zinc/25/64/68/500256468.db2.gz UFCTXQCYEGVNBT-GXTWGEPZSA-N 2 1 358.313 3.011 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000576555146 506185612 /nfs/dbraw/zinc/18/56/12/506185612.db2.gz RBKBFOQDWYDIKI-SLFFLAALSA-N 2 1 350.510 3.148 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000576555146 506185617 /nfs/dbraw/zinc/18/56/17/506185617.db2.gz RBKBFOQDWYDIKI-SLFFLAALSA-N 2 1 350.510 3.148 20 0 FGADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(C[NH3+])CC1 ZINC000430629736 500263635 /nfs/dbraw/zinc/26/36/35/500263635.db2.gz QTCHQFSISMGBJD-RYUDHWBXSA-N 2 1 360.527 3.253 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418355013 500267554 /nfs/dbraw/zinc/26/75/54/500267554.db2.gz FJGADPTVKXTTNO-PZJWPPBQSA-N 2 1 372.557 3.058 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418461668 500280013 /nfs/dbraw/zinc/28/00/13/500280013.db2.gz JFBPMAYXMADVBS-MJGOQNOKSA-N 2 1 352.567 3.190 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418476444 500280975 /nfs/dbraw/zinc/28/09/75/500280975.db2.gz WUQDUWMAHDTZDJ-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625823 500283174 /nfs/dbraw/zinc/28/31/74/500283174.db2.gz COYYJMWININKAV-MUQADHOPSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625823 500283178 /nfs/dbraw/zinc/28/31/78/500283178.db2.gz COYYJMWININKAV-MUQADHOPSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773850 500296315 /nfs/dbraw/zinc/29/63/15/500296315.db2.gz ZKXRSJXRJVOBQW-VXSCBNMQSA-N 2 1 371.569 3.397 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418612767 500296458 /nfs/dbraw/zinc/29/64/58/500296458.db2.gz VYJGGFNEHVTSCS-TYPHKJRUSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806103 500300583 /nfs/dbraw/zinc/30/05/83/500300583.db2.gz KAHDOAXSYKUGLS-IRLDBZIGSA-N 2 1 351.494 3.094 20 0 FGADMP CC[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813406 500301097 /nfs/dbraw/zinc/30/10/97/500301097.db2.gz YCQCLGHTELJRDY-CDNPAEQRSA-N 2 1 351.538 3.371 20 0 FGADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422888889 500311819 /nfs/dbraw/zinc/31/18/19/500311819.db2.gz OFNLALVVVRHJQO-PWRODBHTSA-N 2 1 371.456 3.260 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000430970840 500315391 /nfs/dbraw/zinc/31/53/91/500315391.db2.gz LKUMUYPJSFIMAS-UHFFFAOYSA-N 2 1 353.466 3.349 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1)CC(C)C ZINC000418766891 500320143 /nfs/dbraw/zinc/32/01/43/500320143.db2.gz KTCDRHOHERBBMH-HXUWFJFHSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991495 500328464 /nfs/dbraw/zinc/32/84/64/500328464.db2.gz BHHSZXCMQWEOLL-CBQOVEMMSA-N 2 1 357.542 3.342 20 0 FGADMP CC(C)CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991495 500328467 /nfs/dbraw/zinc/32/84/67/500328467.db2.gz BHHSZXCMQWEOLL-CBQOVEMMSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014495 500330671 /nfs/dbraw/zinc/33/06/71/500330671.db2.gz PFRBAHPMAXRNDY-ZWNOBZJWSA-N 2 1 351.800 3.110 20 0 FGADMP N[C@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020085 500331690 /nfs/dbraw/zinc/33/16/90/500331690.db2.gz YQTPSKAALGTHBM-GOTSBHOMSA-N 2 1 365.521 3.438 20 0 FGADMP CCC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000431074833 500332152 /nfs/dbraw/zinc/33/21/52/500332152.db2.gz YMIXOPQRWNODCK-INIZCTEOSA-N 2 1 357.498 3.416 20 0 FGADMP CCC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000431074833 500332154 /nfs/dbraw/zinc/33/21/54/500332154.db2.gz YMIXOPQRWNODCK-INIZCTEOSA-N 2 1 357.498 3.416 20 0 FGADMP CCCN(Cc1nc(C(C)(C)[NH3+])no1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000431079228 500333151 /nfs/dbraw/zinc/33/31/51/500333151.db2.gz IKQMHTFVUYHVHO-SFHVURJKSA-N 2 1 371.529 3.140 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)nc12 ZINC000423038249 500333939 /nfs/dbraw/zinc/33/39/39/500333939.db2.gz ODMQMOLOUISWOD-BBRMVZONSA-N 2 1 365.319 3.068 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC3 ZINC000423049068 500335742 /nfs/dbraw/zinc/33/57/42/500335742.db2.gz XJHJBTSYYCGIRM-LQLPYNBSSA-N 2 1 353.510 3.080 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423063274 500337615 /nfs/dbraw/zinc/33/76/15/500337615.db2.gz ONLOFOFCJRHQDQ-CDNPAEQRSA-N 2 1 351.538 3.445 20 0 FGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423093802 500340955 /nfs/dbraw/zinc/34/09/55/500340955.db2.gz IMGLVZOIEDPMIS-OLOUCDKRSA-N 2 1 352.881 3.414 20 0 FGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136766 500347147 /nfs/dbraw/zinc/34/71/47/500347147.db2.gz ZHOOESGEJQZFIN-AFXVXQJMSA-N 2 1 373.585 3.235 20 0 FGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423148050 500348609 /nfs/dbraw/zinc/34/86/09/500348609.db2.gz FCJLOKPOWRBXED-HSALFYBXSA-N 2 1 370.541 3.329 20 0 FGADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423169267 500350687 /nfs/dbraw/zinc/35/06/87/500350687.db2.gz IUBKERBGFDFPMD-FGTMMUONSA-N 2 1 370.946 3.144 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2Cc2cc(F)ccc2F)CC1 ZINC000419304281 500351141 /nfs/dbraw/zinc/35/11/41/500351141.db2.gz ULIALPFEARVECH-HXUWFJFHSA-N 2 1 365.512 3.388 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423184705 500352777 /nfs/dbraw/zinc/35/27/77/500352777.db2.gz IMLIEJPEAAINNM-KRWDZBQOSA-N 2 1 369.513 3.442 20 0 FGADMP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000423191932 500353376 /nfs/dbraw/zinc/35/33/76/500353376.db2.gz UENKMSAIAFIGBE-ZTFGCOKTSA-N 2 1 350.453 3.133 20 0 FGADMP CC[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000423336796 500365407 /nfs/dbraw/zinc/36/54/07/500365407.db2.gz VDIORTDBBYNOAF-IERDGZPVSA-N 2 1 351.494 3.273 20 0 FGADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423353797 500366841 /nfs/dbraw/zinc/36/68/41/500366841.db2.gz MKGWWSDQQNDJGR-DYESRHJHSA-N 2 1 357.542 3.455 20 0 FGADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423495259 500379195 /nfs/dbraw/zinc/37/91/95/500379195.db2.gz UFQATZCSBUHTKD-AXAPSJFSSA-N 2 1 371.344 3.200 20 0 FGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423503151 500379969 /nfs/dbraw/zinc/37/99/69/500379969.db2.gz FJQGAKMPGNWYKR-OOHWJJMZSA-N 2 1 350.576 3.442 20 0 FGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423518366 500381587 /nfs/dbraw/zinc/38/15/87/500381587.db2.gz ZQANLUVHMVCQEZ-QEMIJWRASA-N 2 1 356.558 3.222 20 0 FGADMP CC1(C)[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1OCc1ccccc1 ZINC000423521782 500381649 /nfs/dbraw/zinc/38/16/49/500381649.db2.gz TVFMLTOLUPJDQE-UJKMTWAASA-N 2 1 371.569 3.176 20 0 FGADMP Cc1ccc([C@H](N)C(=O)N2CCN([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000423742913 500398312 /nfs/dbraw/zinc/39/83/12/500398312.db2.gz LSDQAMJPLUWPSX-UZLBHIALSA-N 2 1 355.457 3.039 20 0 FGADMP C[NH+](C)[C@H](CC(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000431624265 500400008 /nfs/dbraw/zinc/40/00/08/500400008.db2.gz VSGIPNWZLDSJFZ-OAQYLSRUSA-N 2 1 353.510 3.318 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423769508 500400316 /nfs/dbraw/zinc/40/03/16/500400316.db2.gz CJXZIJUDZSPSBZ-JRGCBEDISA-N 2 1 365.521 3.349 20 0 FGADMP CC[C@H]1CN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000423820922 500405872 /nfs/dbraw/zinc/40/58/72/500405872.db2.gz HLHHIWOLVFAHRA-UWJYYQICSA-N 2 1 351.494 3.443 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000420261125 500430116 /nfs/dbraw/zinc/43/01/16/500430116.db2.gz OUTIBERYFYIXBX-HOTGVXAUSA-N 2 1 353.466 3.074 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431852268 500434359 /nfs/dbraw/zinc/43/43/59/500434359.db2.gz VVDSOTOBIUUVCC-GIVPXCGWSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852268 500434360 /nfs/dbraw/zinc/43/43/60/500434360.db2.gz VVDSOTOBIUUVCC-GIVPXCGWSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852268 500434361 /nfs/dbraw/zinc/43/43/61/500434361.db2.gz VVDSOTOBIUUVCC-GIVPXCGWSA-N 2 1 357.542 3.420 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000420307924 500438557 /nfs/dbraw/zinc/43/85/57/500438557.db2.gz JFTLMVCQPPEKIT-OAHLLOKOSA-N 2 1 358.511 3.118 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000420307924 500438559 /nfs/dbraw/zinc/43/85/59/500438559.db2.gz JFTLMVCQPPEKIT-OAHLLOKOSA-N 2 1 358.511 3.118 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339901 500444461 /nfs/dbraw/zinc/44/44/61/500444461.db2.gz ZIBMYWNDWNVZGM-FQEVSTJZSA-N 2 1 354.494 3.296 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccccc2S1 ZINC000420346075 500445324 /nfs/dbraw/zinc/44/53/24/500445324.db2.gz XJIMLTRMEQZECD-AEFFLSMTSA-N 2 1 373.566 3.368 20 0 FGADMP Cc1nc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347286 500446246 /nfs/dbraw/zinc/44/62/46/500446246.db2.gz GJKKBKWFSJMJIE-MAUKXSAKSA-N 2 1 374.916 3.344 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000424069276 500447271 /nfs/dbraw/zinc/44/72/71/500447271.db2.gz BNCBBUQTFQFJTK-FQEVSTJZSA-N 2 1 351.494 3.449 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376283 500449963 /nfs/dbraw/zinc/44/99/63/500449963.db2.gz JUFUQFYBOUGSJM-WBMJQRKESA-N 2 1 353.392 3.154 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376280 500450553 /nfs/dbraw/zinc/45/05/53/500450553.db2.gz JUFUQFYBOUGSJM-MLGOLLRUSA-N 2 1 353.392 3.154 20 0 FGADMP O=C(NCC[N@@H+]1CC=CCC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431986629 500451548 /nfs/dbraw/zinc/45/15/48/500451548.db2.gz MTAWEZYMXRECEZ-UHFFFAOYSA-N 2 1 356.514 3.098 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)CCC2)c1 ZINC000420381655 500452112 /nfs/dbraw/zinc/45/21/12/500452112.db2.gz RZBISAFXHCNYJE-NRFANRHFSA-N 2 1 358.526 3.458 20 0 FGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420384096 500452682 /nfs/dbraw/zinc/45/26/82/500452682.db2.gz RJMYFUMZXGUFBU-IBGZPJMESA-N 2 1 355.530 3.488 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407851 500456919 /nfs/dbraw/zinc/45/69/19/500456919.db2.gz VOZMQQDRIQUFPM-LEWJYISDSA-N 2 1 357.542 3.198 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407851 500456921 /nfs/dbraw/zinc/45/69/21/500456921.db2.gz VOZMQQDRIQUFPM-LEWJYISDSA-N 2 1 357.542 3.198 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275884 500479615 /nfs/dbraw/zinc/47/96/15/500479615.db2.gz CSUPEJJWPCZICK-PPGORRQASA-N 2 1 358.526 3.071 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275884 500479618 /nfs/dbraw/zinc/47/96/18/500479618.db2.gz CSUPEJJWPCZICK-PPGORRQASA-N 2 1 358.526 3.071 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C)CC[NH2+]CC2 ZINC000424283724 500481021 /nfs/dbraw/zinc/48/10/21/500481021.db2.gz BSCNMKFEGWGSRO-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000424429840 500503908 /nfs/dbraw/zinc/50/39/08/500503908.db2.gz XWSSVILNYIPRCQ-NRFANRHFSA-N 2 1 366.509 3.486 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000424440996 500505884 /nfs/dbraw/zinc/50/58/84/500505884.db2.gz WBIGKKGJRGJBOS-MRXNPFEDSA-N 2 1 352.482 3.022 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424452518 500507978 /nfs/dbraw/zinc/50/79/78/500507978.db2.gz HWTBKIYDTYOAAG-PWIZWCRZSA-N 2 1 358.530 3.130 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000573468773 506200890 /nfs/dbraw/zinc/20/08/90/506200890.db2.gz QUHSSQHLHBFNEX-GFCCVEGCSA-N 2 1 370.324 3.387 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000420931233 500534462 /nfs/dbraw/zinc/53/44/62/500534462.db2.gz GISJMXCDEKONEP-UGKGYDQZSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000420949491 500538724 /nfs/dbraw/zinc/53/87/24/500538724.db2.gz QHNVYSVDUIVSLF-UGKGYDQZSA-N 2 1 371.569 3.261 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3OC(C)C)CC2)CC1 ZINC000420985911 500548216 /nfs/dbraw/zinc/54/82/16/500548216.db2.gz XEMPERLUNYFPIK-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428866938 500568046 /nfs/dbraw/zinc/56/80/46/500568046.db2.gz LAOQKLDCGAZYKI-QGZVFWFLSA-N 2 1 371.481 3.292 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428866938 500568048 /nfs/dbraw/zinc/56/80/48/500568048.db2.gz LAOQKLDCGAZYKI-QGZVFWFLSA-N 2 1 371.481 3.292 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593975 500602609 /nfs/dbraw/zinc/60/26/09/500602609.db2.gz KAZLKAZFSRWKIN-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435404 500605763 /nfs/dbraw/zinc/60/57/63/500605763.db2.gz OHQBWXRNPGSVGZ-HTAPYJJXSA-N 2 1 367.493 3.220 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000433046357 500612946 /nfs/dbraw/zinc/61/29/46/500612946.db2.gz PCAVMLFTONBNTO-VXKWHMMOSA-N 2 1 365.521 3.285 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)CC1 ZINC000442712904 500613586 /nfs/dbraw/zinc/61/35/86/500613586.db2.gz HQJULAOKBSMRNT-UHFFFAOYSA-N 2 1 351.485 3.348 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442720237 500614376 /nfs/dbraw/zinc/61/43/76/500614376.db2.gz SUGGKYGNOZDCMA-FQEVSTJZSA-N 2 1 374.532 3.172 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000442757016 500620380 /nfs/dbraw/zinc/62/03/80/500620380.db2.gz FUCSWQCYGFPCNL-MROQNXINSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000442757016 500620383 /nfs/dbraw/zinc/62/03/83/500620383.db2.gz FUCSWQCYGFPCNL-MROQNXINSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766333 500623217 /nfs/dbraw/zinc/62/32/17/500623217.db2.gz NZZOAMLMZLXSRN-XNJGSVPQSA-N 2 1 370.324 3.326 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766333 500623221 /nfs/dbraw/zinc/62/32/21/500623221.db2.gz NZZOAMLMZLXSRN-XNJGSVPQSA-N 2 1 370.324 3.326 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433173354 500638997 /nfs/dbraw/zinc/63/89/97/500638997.db2.gz GIGACRBJDZZREQ-UHFFFAOYSA-N 2 1 357.542 3.281 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054793 500669421 /nfs/dbraw/zinc/66/94/21/500669421.db2.gz AEOWYGDTVSUUBV-RBUKOAKNSA-N 2 1 365.521 3.342 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000443056837 500670803 /nfs/dbraw/zinc/67/08/03/500670803.db2.gz DJPYBNXMJSCOLI-SFHVURJKSA-N 2 1 367.493 3.265 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443068988 500674622 /nfs/dbraw/zinc/67/46/22/500674622.db2.gz JCZYCQUZCPRHJL-OKZBNKHCSA-N 2 1 353.510 3.466 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000443197179 500694902 /nfs/dbraw/zinc/69/49/02/500694902.db2.gz WYULHRUKAITVIS-MNEFBYGVSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000443197179 500694903 /nfs/dbraw/zinc/69/49/03/500694903.db2.gz WYULHRUKAITVIS-MNEFBYGVSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000443197176 500695161 /nfs/dbraw/zinc/69/51/61/500695161.db2.gz WYULHRUKAITVIS-IPELMVKDSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000443197176 500695163 /nfs/dbraw/zinc/69/51/63/500695163.db2.gz WYULHRUKAITVIS-IPELMVKDSA-N 2 1 350.478 3.376 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000448034285 500710704 /nfs/dbraw/zinc/71/07/04/500710704.db2.gz HCKBBOLWBQLTTK-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000448204732 500733001 /nfs/dbraw/zinc/73/30/01/500733001.db2.gz MDOGZGDZACPPLX-NRFANRHFSA-N 2 1 374.573 3.176 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000448204732 500733003 /nfs/dbraw/zinc/73/30/03/500733003.db2.gz MDOGZGDZACPPLX-NRFANRHFSA-N 2 1 374.573 3.176 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000448204732 500733005 /nfs/dbraw/zinc/73/30/05/500733005.db2.gz MDOGZGDZACPPLX-NRFANRHFSA-N 2 1 374.573 3.176 20 0 FGADMP c1ccc(OCCCC[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000438095687 500737476 /nfs/dbraw/zinc/73/74/76/500737476.db2.gz QGMLRUUEQXLBLL-UHFFFAOYSA-N 2 1 354.494 3.468 20 0 FGADMP CC(C)(CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000438137860 500743572 /nfs/dbraw/zinc/74/35/72/500743572.db2.gz IJVSNIFLROEFLT-LJQANCHMSA-N 2 1 364.578 3.205 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@@H](O)C(C)(C)C4)cc3)nc12 ZINC000448367347 500753981 /nfs/dbraw/zinc/75/39/81/500753981.db2.gz QNXMCGLRWHZXHS-HXUWFJFHSA-N 2 1 365.477 3.424 20 0 FGADMP [NH3+][C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CCOCC1 ZINC000433890553 500761106 /nfs/dbraw/zinc/76/11/06/500761106.db2.gz LZDLLHLJEUSELS-GOSISDBHSA-N 2 1 356.470 3.149 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438329674 500770587 /nfs/dbraw/zinc/77/05/87/500770587.db2.gz WSMAOJYTQPOFJY-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@H]1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000444147063 500810102 /nfs/dbraw/zinc/81/01/02/500810102.db2.gz QXKDJESIMXOWRY-PKOBYXMFSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000434352890 500831106 /nfs/dbraw/zinc/83/11/06/500831106.db2.gz QIBIBWPGDHKINS-NRFANRHFSA-N 2 1 372.557 3.085 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000434446358 500844181 /nfs/dbraw/zinc/84/41/81/500844181.db2.gz TVBIEHITMSBLCS-WIYYLYMNSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446358 500844182 /nfs/dbraw/zinc/84/41/82/500844182.db2.gz TVBIEHITMSBLCS-WIYYLYMNSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446358 500844184 /nfs/dbraw/zinc/84/41/84/500844184.db2.gz TVBIEHITMSBLCS-WIYYLYMNSA-N 2 1 373.516 3.171 20 0 FGADMP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000434662723 500874925 /nfs/dbraw/zinc/87/49/25/500874925.db2.gz CTLNBMUWGQGBFM-KRWDZBQOSA-N 2 1 360.546 3.433 20 0 FGADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682706 500878946 /nfs/dbraw/zinc/87/89/46/500878946.db2.gz DCEWTIQEIHXXEE-KZNAEPCWSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684467 500879402 /nfs/dbraw/zinc/87/94/02/500879402.db2.gz ISPJKJGJIMHSNO-KRWDZBQOSA-N 2 1 358.530 3.046 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4c(OC)c3)C2)CC1 ZINC000449023138 500900856 /nfs/dbraw/zinc/90/08/56/500900856.db2.gz NUCKCMWEXKEGPF-FQEVSTJZSA-N 2 1 353.510 3.060 20 0 FGADMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063301 500915102 /nfs/dbraw/zinc/91/51/02/500915102.db2.gz OVCHPXCWHAKIJN-IAGOWNOFSA-N 2 1 352.544 3.048 20 0 FGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081212 500919431 /nfs/dbraw/zinc/91/94/31/500919431.db2.gz CPCUYRFQBCJNKA-ZWKOTPCHSA-N 2 1 366.571 3.438 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000449093251 500923693 /nfs/dbraw/zinc/92/36/93/500923693.db2.gz OETNXGKMXOHTSR-MQNAVGNWSA-N 2 1 350.506 3.330 20 0 FGADMP COc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc2ccccc21 ZINC000449130793 500932169 /nfs/dbraw/zinc/93/21/69/500932169.db2.gz HVJUIKRAZVZHPG-UHFFFAOYSA-N 2 1 355.526 3.212 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449169818 500939759 /nfs/dbraw/zinc/93/97/59/500939759.db2.gz PLTMEHGCUQUCIP-YSIASYRMSA-N 2 1 359.558 3.428 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000449195100 500945723 /nfs/dbraw/zinc/94/57/23/500945723.db2.gz WBBAHYASPTXVEZ-NHCUHLMSSA-N 2 1 354.494 3.316 20 0 FGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207219 500948159 /nfs/dbraw/zinc/94/81/59/500948159.db2.gz PSCDWHLPHPUIKL-HKUYNNGSSA-N 2 1 366.571 3.294 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207219 500948160 /nfs/dbraw/zinc/94/81/60/500948160.db2.gz PSCDWHLPHPUIKL-HKUYNNGSSA-N 2 1 366.571 3.294 20 0 FGADMP COc1cc(C)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000449235667 500954646 /nfs/dbraw/zinc/95/46/46/500954646.db2.gz VHZZSPPUCRAVAR-OAQYLSRUSA-N 2 1 354.494 3.250 20 0 FGADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435369055 500960441 /nfs/dbraw/zinc/96/04/41/500960441.db2.gz CPPFHDSDMIGLIT-OAHLLOKOSA-N 2 1 360.420 3.458 20 0 FGADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435369055 500960445 /nfs/dbraw/zinc/96/04/45/500960445.db2.gz CPPFHDSDMIGLIT-OAHLLOKOSA-N 2 1 360.420 3.458 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439965194 500960641 /nfs/dbraw/zinc/96/06/41/500960641.db2.gz ZUDYZLIZKOXDSW-SFTDATJTSA-N 2 1 355.526 3.174 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c2C)cc1 ZINC000435380533 500964028 /nfs/dbraw/zinc/96/40/28/500964028.db2.gz OQCQSSHXCTYJNU-BEFAXECRSA-N 2 1 356.514 3.116 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383763 500964562 /nfs/dbraw/zinc/96/45/62/500964562.db2.gz JSWMQVSZIAQCTE-UKRRQHHQSA-N 2 1 352.404 3.450 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430485 500973935 /nfs/dbraw/zinc/97/39/35/500973935.db2.gz BYPMRPDCVOYGEI-IBGZPJMESA-N 2 1 369.534 3.252 20 0 FGADMP C[C@@H](Cc1ccccc1)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432428 500975018 /nfs/dbraw/zinc/97/50/18/500975018.db2.gz IRDOBAJHBHLDNZ-AZUAARDMSA-N 2 1 352.526 3.243 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330229 500979694 /nfs/dbraw/zinc/97/96/94/500979694.db2.gz KOCGIISGWVWGQM-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330229 500979696 /nfs/dbraw/zinc/97/96/96/500979696.db2.gz KOCGIISGWVWGQM-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(I)cc1 ZINC000449330229 500979699 /nfs/dbraw/zinc/97/96/99/500979699.db2.gz KOCGIISGWVWGQM-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(I)cc1 ZINC000449330229 500979701 /nfs/dbraw/zinc/97/97/01/500979701.db2.gz KOCGIISGWVWGQM-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272022 500993354 /nfs/dbraw/zinc/99/33/54/500993354.db2.gz TVMINCPKRFQLFF-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000440272022 500993357 /nfs/dbraw/zinc/99/33/57/500993357.db2.gz TVMINCPKRFQLFF-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000440272022 500993362 /nfs/dbraw/zinc/99/33/62/500993362.db2.gz TVMINCPKRFQLFF-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP CCCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500236 501018241 /nfs/dbraw/zinc/01/82/41/501018241.db2.gz MSFCUSJYNJFTIW-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500236 501018244 /nfs/dbraw/zinc/01/82/44/501018244.db2.gz MSFCUSJYNJFTIW-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1cccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500236 501018246 /nfs/dbraw/zinc/01/82/46/501018246.db2.gz MSFCUSJYNJFTIW-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1cccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500236 501018248 /nfs/dbraw/zinc/01/82/48/501018248.db2.gz MSFCUSJYNJFTIW-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000435726874 501018806 /nfs/dbraw/zinc/01/88/06/501018806.db2.gz BVBYGBYYXKPSED-NRFANRHFSA-N 2 1 353.514 3.462 20 0 FGADMP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@H]2CC[N@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548440 501030531 /nfs/dbraw/zinc/03/05/31/501030531.db2.gz NHYRWEMDCXTTIW-YESZJQIVSA-N 2 1 372.463 3.360 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000445875570 501045055 /nfs/dbraw/zinc/04/50/55/501045055.db2.gz OBXPOKAKPULVDH-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@]3(CCOC3)C2)CC1 ZINC000449681991 501061555 /nfs/dbraw/zinc/06/15/55/501061555.db2.gz FOFMGLURMKCNJK-QFIPXVFZSA-N 2 1 357.542 3.221 20 0 FGADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450422685 501118254 /nfs/dbraw/zinc/11/82/54/501118254.db2.gz VPEQNDIKYFYMQK-QGZVFWFLSA-N 2 1 352.526 3.402 20 0 FGADMP CCc1ccc2[nH+]ccc(N3CC[N@H+](C4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000450422685 501118256 /nfs/dbraw/zinc/11/82/56/501118256.db2.gz VPEQNDIKYFYMQK-QGZVFWFLSA-N 2 1 352.526 3.402 20 0 FGADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000446456434 501122414 /nfs/dbraw/zinc/12/24/14/501122414.db2.gz HWMNSZPWIJTYPD-OAQYLSRUSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000446456434 501122416 /nfs/dbraw/zinc/12/24/16/501122416.db2.gz HWMNSZPWIJTYPD-OAQYLSRUSA-N 2 1 373.516 3.171 20 0 FGADMP C[N@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000441367104 501128313 /nfs/dbraw/zinc/12/83/13/501128313.db2.gz GZCGHAOTPHNDTP-TZIWHRDSSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@H]1CCCC[N@@H+]1C ZINC000441367104 501128315 /nfs/dbraw/zinc/12/83/15/501128315.db2.gz GZCGHAOTPHNDTP-TZIWHRDSSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@@H]1CCCc2ccccc21)CC[C@H]1CCCC[N@H+]1C ZINC000441367104 501128317 /nfs/dbraw/zinc/12/83/17/501128317.db2.gz GZCGHAOTPHNDTP-TZIWHRDSSA-N 2 1 357.542 3.377 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1(C)C ZINC000441371636 501129054 /nfs/dbraw/zinc/12/90/54/501129054.db2.gz MSJHNDWSFNZRKT-UHFFFAOYSA-N 2 1 363.855 3.474 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400241 501133266 /nfs/dbraw/zinc/13/32/66/501133266.db2.gz DBQGRJQUXBWSCI-OXQOHEQNSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400241 501133269 /nfs/dbraw/zinc/13/32/69/501133269.db2.gz DBQGRJQUXBWSCI-OXQOHEQNSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400241 501133271 /nfs/dbraw/zinc/13/32/71/501133271.db2.gz DBQGRJQUXBWSCI-OXQOHEQNSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400241 501133273 /nfs/dbraw/zinc/13/32/73/501133273.db2.gz DBQGRJQUXBWSCI-OXQOHEQNSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400235 501133423 /nfs/dbraw/zinc/13/34/23/501133423.db2.gz DBQGRJQUXBWSCI-JXFKEZNVSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400235 501133425 /nfs/dbraw/zinc/13/34/25/501133425.db2.gz DBQGRJQUXBWSCI-JXFKEZNVSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400235 501133427 /nfs/dbraw/zinc/13/34/27/501133427.db2.gz DBQGRJQUXBWSCI-JXFKEZNVSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400235 501133429 /nfs/dbraw/zinc/13/34/29/501133429.db2.gz DBQGRJQUXBWSCI-JXFKEZNVSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1csc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000450063672 501169822 /nfs/dbraw/zinc/16/98/22/501169822.db2.gz YNGMIGBMKKPCDN-UHFFFAOYSA-N 2 1 363.571 3.325 20 0 FGADMP COC[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921770 501181632 /nfs/dbraw/zinc/18/16/32/501181632.db2.gz UPIPUOKKAZMGHG-UZKOGDIHSA-N 2 1 360.542 3.318 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000451323649 501264812 /nfs/dbraw/zinc/26/48/12/501264812.db2.gz VXADTMBIYQJPLW-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451323649 501264815 /nfs/dbraw/zinc/26/48/15/501264815.db2.gz VXADTMBIYQJPLW-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451323649 501264818 /nfs/dbraw/zinc/26/48/18/501264818.db2.gz VXADTMBIYQJPLW-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453088190 501266515 /nfs/dbraw/zinc/26/65/15/501266515.db2.gz ADLBBBFFALNMKO-YPAWHYETSA-N 2 1 369.553 3.422 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000453110474 501270948 /nfs/dbraw/zinc/27/09/48/501270948.db2.gz BMMKHWLRMGVJRB-JZXOWHBKSA-N 2 1 352.544 3.305 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000453110474 501270951 /nfs/dbraw/zinc/27/09/51/501270951.db2.gz BMMKHWLRMGVJRB-JZXOWHBKSA-N 2 1 352.544 3.305 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc2)C1 ZINC000457641755 501274324 /nfs/dbraw/zinc/27/43/24/501274324.db2.gz DJRDESCWWPYXOQ-KRWDZBQOSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000457654784 501278773 /nfs/dbraw/zinc/27/87/73/501278773.db2.gz UCSYJCDDULOLKY-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000457654784 501278776 /nfs/dbraw/zinc/27/87/76/501278776.db2.gz UCSYJCDDULOLKY-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457654784 501278779 /nfs/dbraw/zinc/27/87/79/501278779.db2.gz UCSYJCDDULOLKY-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453148064 501279501 /nfs/dbraw/zinc/27/95/01/501279501.db2.gz QRPIFLDPVXDVHJ-HKBOAZHASA-N 2 1 365.525 3.188 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453153533 501280621 /nfs/dbraw/zinc/28/06/21/501280621.db2.gz VFPKNHGVKDDFBW-UWHLTILDSA-N 2 1 355.526 3.030 20 0 FGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453207930 501291397 /nfs/dbraw/zinc/29/13/97/501291397.db2.gz BYDNDIJXIDSGER-AZUAARDMSA-N 2 1 352.478 3.110 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453224793 501294438 /nfs/dbraw/zinc/29/44/38/501294438.db2.gz XASWYOPKMQIDLP-NJYVYQBISA-N 2 1 369.553 3.326 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000455474009 501312615 /nfs/dbraw/zinc/31/26/15/501312615.db2.gz CYBXGVVDYWMGBR-YJBOKZPZSA-N 2 1 362.518 3.265 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531381 501314497 /nfs/dbraw/zinc/31/44/97/501314497.db2.gz RHTFZTKEPMTIGI-ZIGLLSCRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531381 501314499 /nfs/dbraw/zinc/31/44/99/501314499.db2.gz RHTFZTKEPMTIGI-ZIGLLSCRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531381 501314501 /nfs/dbraw/zinc/31/45/01/501314501.db2.gz RHTFZTKEPMTIGI-ZIGLLSCRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531381 501314503 /nfs/dbraw/zinc/31/45/03/501314503.db2.gz RHTFZTKEPMTIGI-ZIGLLSCRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531828 501314658 /nfs/dbraw/zinc/31/46/58/501314658.db2.gz KLZJSSUEIVFXCO-OFNKIYASSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531828 501314661 /nfs/dbraw/zinc/31/46/61/501314661.db2.gz KLZJSSUEIVFXCO-OFNKIYASSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531828 501314665 /nfs/dbraw/zinc/31/46/65/501314665.db2.gz KLZJSSUEIVFXCO-OFNKIYASSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531828 501314667 /nfs/dbraw/zinc/31/46/67/501314667.db2.gz KLZJSSUEIVFXCO-OFNKIYASSA-N 2 1 371.569 3.274 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607635 501346094 /nfs/dbraw/zinc/34/60/94/501346094.db2.gz JCJOVYKSEJYXHM-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455607635 501346096 /nfs/dbraw/zinc/34/60/96/501346096.db2.gz JCJOVYKSEJYXHM-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455607635 501346097 /nfs/dbraw/zinc/34/60/97/501346097.db2.gz JCJOVYKSEJYXHM-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1)C(C)C ZINC000457981270 501349711 /nfs/dbraw/zinc/34/97/11/501349711.db2.gz WNEJPROPPNNXTF-UHFFFAOYSA-N 2 1 350.466 3.495 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455909082 501412842 /nfs/dbraw/zinc/41/28/42/501412842.db2.gz ILDAXIYQKVXYHC-GUXCAODWSA-N 2 1 358.530 3.477 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000458396835 501435593 /nfs/dbraw/zinc/43/55/93/501435593.db2.gz DBLUEYFVLXKHLV-NQIIRXRSSA-N 2 1 372.557 3.338 20 0 FGADMP Cc1ccccc1NC(=O)C[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452123527 501440104 /nfs/dbraw/zinc/44/01/04/501440104.db2.gz WRLREDDRQOIXAV-UHFFFAOYSA-N 2 1 357.420 3.282 20 0 FGADMP Cc1ccccc1NC(=O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452123527 501440105 /nfs/dbraw/zinc/44/01/05/501440105.db2.gz WRLREDDRQOIXAV-UHFFFAOYSA-N 2 1 357.420 3.282 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492318 506253690 /nfs/dbraw/zinc/25/36/90/506253690.db2.gz KRDWRWPOICLSSM-XSDIEEQYSA-N 2 1 358.526 3.386 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492318 506253695 /nfs/dbraw/zinc/25/36/95/506253695.db2.gz KRDWRWPOICLSSM-XSDIEEQYSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458663795 501501945 /nfs/dbraw/zinc/50/19/45/501501945.db2.gz FUAYYMBDBIBAKB-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000456680689 501575500 /nfs/dbraw/zinc/57/55/00/501575500.db2.gz FWCOKZTUKCYXGF-SFHVURJKSA-N 2 1 373.516 3.171 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619989 501593918 /nfs/dbraw/zinc/59/39/18/501593918.db2.gz OMXNUJMEUJTZQN-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619989 501593921 /nfs/dbraw/zinc/59/39/21/501593921.db2.gz OMXNUJMEUJTZQN-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619989 501593923 /nfs/dbraw/zinc/59/39/23/501593923.db2.gz OMXNUJMEUJTZQN-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000588291735 506263043 /nfs/dbraw/zinc/26/30/43/506263043.db2.gz UEHDPNDLVJHUCG-FQEVSTJZSA-N 2 1 360.546 3.161 20 0 FGADMP CCOCC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030714 501604690 /nfs/dbraw/zinc/60/46/90/501604690.db2.gz YQSDJPKJJIMTES-YADHBBJMSA-N 2 1 374.569 3.397 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459267038 501621873 /nfs/dbraw/zinc/62/18/73/501621873.db2.gz QKPLCUPGLCYUSM-GOSISDBHSA-N 2 1 360.546 3.012 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459270011 501622681 /nfs/dbraw/zinc/62/26/81/501622681.db2.gz UTXQDXUGSVECNF-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270011 501622682 /nfs/dbraw/zinc/62/26/82/501622682.db2.gz UTXQDXUGSVECNF-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270011 501622685 /nfs/dbraw/zinc/62/26/85/501622685.db2.gz UTXQDXUGSVECNF-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1)C1CC1 ZINC000456979735 501629194 /nfs/dbraw/zinc/62/91/94/501629194.db2.gz CABGKORUEOMJKF-QFIPXVFZSA-N 2 1 363.505 3.458 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1)C1CC1 ZINC000456979735 501629196 /nfs/dbraw/zinc/62/91/96/501629196.db2.gz CABGKORUEOMJKF-QFIPXVFZSA-N 2 1 363.505 3.458 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350822 501637183 /nfs/dbraw/zinc/63/71/83/501637183.db2.gz SVBYQDKIGBISND-TZIWHRDSSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350822 501637185 /nfs/dbraw/zinc/63/71/85/501637185.db2.gz SVBYQDKIGBISND-TZIWHRDSSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824981 501638051 /nfs/dbraw/zinc/63/80/51/501638051.db2.gz SLLKGQOSZDLZPK-AYOQOUSVSA-N 2 1 367.497 3.099 20 0 FGADMP CN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459445712 501655433 /nfs/dbraw/zinc/65/54/33/501655433.db2.gz SIHLZJIHJXYLJT-RBUKOAKNSA-N 2 1 351.897 3.441 20 0 FGADMP O=C(C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCC1 ZINC000459540455 501672972 /nfs/dbraw/zinc/67/29/72/501672972.db2.gz YLCRPFQYZAPABK-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000457367203 501688140 /nfs/dbraw/zinc/68/81/40/501688140.db2.gz DZENNIMNUPHMHD-CALCHBBNSA-N 2 1 367.493 3.315 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000457367203 501688142 /nfs/dbraw/zinc/68/81/42/501688142.db2.gz DZENNIMNUPHMHD-CALCHBBNSA-N 2 1 367.493 3.315 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000459678641 501697680 /nfs/dbraw/zinc/69/76/80/501697680.db2.gz RWQOOYXNWMQSDB-SFTDATJTSA-N 2 1 357.542 3.244 20 0 FGADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(Br)c1O ZINC000459791711 501714647 /nfs/dbraw/zinc/71/46/47/501714647.db2.gz RPMCUKNIRBYAAA-CYBMUJFWSA-N 2 1 371.319 3.375 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603052 501739497 /nfs/dbraw/zinc/73/94/97/501739497.db2.gz SAZSSKJTXLBWRD-SJORKVTESA-N 2 1 371.447 3.299 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000460154924 501743061 /nfs/dbraw/zinc/74/30/61/501743061.db2.gz LRXYCNREEHCASG-FUHWJXTLSA-N 2 1 364.534 3.145 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@H](C)C1 ZINC000467354153 501775802 /nfs/dbraw/zinc/77/58/02/501775802.db2.gz LXLPRQOALGCSGY-IFLJBQAJSA-N 2 1 352.563 3.308 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000467395470 501784922 /nfs/dbraw/zinc/78/49/22/501784922.db2.gz TVLDMSGZSJTPFP-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000467395470 501784930 /nfs/dbraw/zinc/78/49/30/501784930.db2.gz TVLDMSGZSJTPFP-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000474314812 501788058 /nfs/dbraw/zinc/78/80/58/501788058.db2.gz UALIEWZBYCHESF-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000474314812 501788061 /nfs/dbraw/zinc/78/80/61/501788061.db2.gz UALIEWZBYCHESF-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000467419706 501790088 /nfs/dbraw/zinc/79/00/88/501790088.db2.gz RQZDHDQXUVZIER-PMOQBDJRSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000467419706 501790089 /nfs/dbraw/zinc/79/00/89/501790089.db2.gz RQZDHDQXUVZIER-PMOQBDJRSA-N 2 1 352.522 3.399 20 0 FGADMP CC(C)[C@@H]1CN(Cc2ccccc2C[N@H+]2CCO[C@@H](C(C)C)C2)CCO1 ZINC000481497352 501791888 /nfs/dbraw/zinc/79/18/88/501791888.db2.gz QGJFTWUTEDYWKE-SZPZYZBQSA-N 2 1 360.542 3.400 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949519 501837652 /nfs/dbraw/zinc/83/76/52/501837652.db2.gz GBMLLGCPJDORQZ-FQEVSTJZSA-N 2 1 355.526 3.033 20 0 FGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000474464489 501844438 /nfs/dbraw/zinc/84/44/38/501844438.db2.gz POTKKULXSZNUDL-VXKWHMMOSA-N 2 1 359.558 3.119 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655229 501887287 /nfs/dbraw/zinc/88/72/87/501887287.db2.gz KZKQFCMXZHGGRN-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460655229 501887292 /nfs/dbraw/zinc/88/72/92/501887292.db2.gz KZKQFCMXZHGGRN-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460655229 501887296 /nfs/dbraw/zinc/88/72/96/501887296.db2.gz KZKQFCMXZHGGRN-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474599111 501888812 /nfs/dbraw/zinc/88/88/12/501888812.db2.gz MRUIJTFRUOSONF-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474599111 501888814 /nfs/dbraw/zinc/88/88/14/501888814.db2.gz MRUIJTFRUOSONF-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP c1ccc(C[NH+]2C[C@H]3C[N@H+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471014055 501891826 /nfs/dbraw/zinc/89/18/26/501891826.db2.gz ZHFVQQFTELCPCZ-OYRHEFFESA-N 2 1 374.488 3.343 20 0 FGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471014055 501891831 /nfs/dbraw/zinc/89/18/31/501891831.db2.gz ZHFVQQFTELCPCZ-OYRHEFFESA-N 2 1 374.488 3.343 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471014055 501891835 /nfs/dbraw/zinc/89/18/35/501891835.db2.gz ZHFVQQFTELCPCZ-OYRHEFFESA-N 2 1 374.488 3.343 20 0 FGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4nc(-c5ccccc5)no4)C[C@H]3C2)cc1 ZINC000471014055 501891840 /nfs/dbraw/zinc/89/18/40/501891840.db2.gz ZHFVQQFTELCPCZ-OYRHEFFESA-N 2 1 374.488 3.343 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000467984556 501920741 /nfs/dbraw/zinc/92/07/41/501920741.db2.gz OXTNLQJQAOZEEU-GASCZTMLSA-N 2 1 350.532 3.186 20 0 FGADMP COC(=O)CC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000599023270 506283320 /nfs/dbraw/zinc/28/33/20/506283320.db2.gz GOSIBHLHDRRKAH-MPQSDHOMSA-N 2 1 374.525 3.119 20 0 FGADMP COC(=O)CC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000599023270 506283328 /nfs/dbraw/zinc/28/33/28/506283328.db2.gz GOSIBHLHDRRKAH-MPQSDHOMSA-N 2 1 374.525 3.119 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@H](C)C1 ZINC000482129043 501982969 /nfs/dbraw/zinc/98/29/69/501982969.db2.gz RKXIDNDLCMDILI-QUCCMNQESA-N 2 1 360.542 3.453 20 0 FGADMP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018439 502022796 /nfs/dbraw/zinc/02/27/96/502022796.db2.gz UZSMOBIMQHMYMZ-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461267404 502058093 /nfs/dbraw/zinc/05/80/93/502058093.db2.gz SFBZTMMROXEFED-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127662 502070058 /nfs/dbraw/zinc/07/00/58/502070058.db2.gz DEPSPCXMADLJOT-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127662 502070061 /nfs/dbraw/zinc/07/00/61/502070061.db2.gz DEPSPCXMADLJOT-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127662 502070064 /nfs/dbraw/zinc/07/00/64/502070064.db2.gz DEPSPCXMADLJOT-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000464777459 502090100 /nfs/dbraw/zinc/09/01/00/502090100.db2.gz PKEKCDAGULVBPY-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000464777459 502090104 /nfs/dbraw/zinc/09/01/04/502090104.db2.gz PKEKCDAGULVBPY-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000482529429 502101536 /nfs/dbraw/zinc/10/15/36/502101536.db2.gz GTAJCYPEDTTWEP-INIZCTEOSA-N 2 1 357.464 3.254 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC000461468259 502125602 /nfs/dbraw/zinc/12/56/02/502125602.db2.gz HOAQHWYQJBGDNA-FQEVSTJZSA-N 2 1 355.526 3.033 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947085 502153298 /nfs/dbraw/zinc/15/32/98/502153298.db2.gz DJTJYWHTEFBPER-MOPGFXCFSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000464947085 502153304 /nfs/dbraw/zinc/15/33/04/502153304.db2.gz DJTJYWHTEFBPER-MOPGFXCFSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000464947085 502153310 /nfs/dbraw/zinc/15/33/10/502153310.db2.gz DJTJYWHTEFBPER-MOPGFXCFSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+]3CCc4ccccc4C3)CC2)CC1 ZINC000468714542 502156466 /nfs/dbraw/zinc/15/64/66/502156466.db2.gz MOSPZJNXGZQTLK-UHFFFAOYSA-N 2 1 369.553 3.156 20 0 FGADMP CC(C)N1CCC[C@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864477 502201865 /nfs/dbraw/zinc/20/18/65/502201865.db2.gz HYJVOLIQWIVNNQ-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864477 502201871 /nfs/dbraw/zinc/20/18/71/502201871.db2.gz HYJVOLIQWIVNNQ-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000482864477 502201879 /nfs/dbraw/zinc/20/18/79/502201879.db2.gz HYJVOLIQWIVNNQ-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000482864477 502201887 /nfs/dbraw/zinc/20/18/87/502201887.db2.gz HYJVOLIQWIVNNQ-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280020 502213378 /nfs/dbraw/zinc/21/33/78/502213378.db2.gz JBOCCYWFTXSYID-WNRNVDISSA-N 2 1 364.534 3.271 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000472095775 502229882 /nfs/dbraw/zinc/22/98/82/502229882.db2.gz PWFNERKRXWRABX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000472152880 502250056 /nfs/dbraw/zinc/25/00/56/502250056.db2.gz HJCKIJVEKIGHPR-MRXNPFEDSA-N 2 1 369.509 3.058 20 0 FGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000479456143 502265699 /nfs/dbraw/zinc/26/56/99/502265699.db2.gz PCBOSHCTCQHIMR-SJORKVTESA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000479456143 502265702 /nfs/dbraw/zinc/26/57/02/502265702.db2.gz PCBOSHCTCQHIMR-SJORKVTESA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000483084516 502266910 /nfs/dbraw/zinc/26/69/10/502266910.db2.gz DXIHHYXMQNQJGF-GOSISDBHSA-N 2 1 364.578 3.347 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738351 502274882 /nfs/dbraw/zinc/27/48/82/502274882.db2.gz JIWUDLRABQMQMV-YADHBBJMSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475738351 502274888 /nfs/dbraw/zinc/27/48/88/502274888.db2.gz JIWUDLRABQMQMV-YADHBBJMSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475738351 502274890 /nfs/dbraw/zinc/27/48/90/502274890.db2.gz JIWUDLRABQMQMV-YADHBBJMSA-N 2 1 360.542 3.008 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000462042377 502284498 /nfs/dbraw/zinc/28/44/98/502284498.db2.gz VCGOGJGDPALXSU-MRXNPFEDSA-N 2 1 352.320 3.102 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000472258870 502287254 /nfs/dbraw/zinc/28/72/54/502287254.db2.gz KRUSYBNCKSQDKR-SFHVURJKSA-N 2 1 367.921 3.101 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000483176026 502302813 /nfs/dbraw/zinc/30/28/13/502302813.db2.gz JKXGSEYVWPLUHJ-GHTZIAJQSA-N 3 1 374.573 3.085 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312677 502310329 /nfs/dbraw/zinc/31/03/29/502310329.db2.gz JUFTWIQVDVZEBD-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312677 502310335 /nfs/dbraw/zinc/31/03/35/502310335.db2.gz JUFTWIQVDVZEBD-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312677 502310341 /nfs/dbraw/zinc/31/03/41/502310341.db2.gz JUFTWIQVDVZEBD-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196444 502310758 /nfs/dbraw/zinc/31/07/58/502310758.db2.gz JMMPJOUBKPITDP-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000483196444 502310763 /nfs/dbraw/zinc/31/07/63/502310763.db2.gz JMMPJOUBKPITDP-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000483196444 502310770 /nfs/dbraw/zinc/31/07/70/502310770.db2.gz JMMPJOUBKPITDP-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351543 502326698 /nfs/dbraw/zinc/32/66/98/502326698.db2.gz SWRCIVZITVWYOX-PKOBYXMFSA-N 2 1 358.555 3.381 20 0 FGADMP COC(=O)c1coc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363873 502329742 /nfs/dbraw/zinc/32/97/42/502329742.db2.gz ABDZKJPPMMSGIK-PXNSSMCTSA-N 2 1 356.466 3.238 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376522 502334986 /nfs/dbraw/zinc/33/49/86/502334986.db2.gz XTHVBFLLVOWBIE-HKUYNNGSSA-N 2 1 356.466 3.238 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037743 502337485 /nfs/dbraw/zinc/33/74/85/502337485.db2.gz ROLCXHWICBQVMV-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487037743 502337491 /nfs/dbraw/zinc/33/74/91/502337491.db2.gz ROLCXHWICBQVMV-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487037743 502337496 /nfs/dbraw/zinc/33/74/96/502337496.db2.gz ROLCXHWICBQVMV-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686981 506307907 /nfs/dbraw/zinc/30/79/07/506307907.db2.gz JJHJCZQZQIKJPA-IRLDBZIGSA-N 2 1 356.510 3.475 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686981 506307913 /nfs/dbraw/zinc/30/79/13/506307913.db2.gz JJHJCZQZQIKJPA-IRLDBZIGSA-N 2 1 356.510 3.475 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011715 502357650 /nfs/dbraw/zinc/35/76/50/502357650.db2.gz NWUJGZUZGWWNSU-RTBURBONSA-N 2 1 357.542 3.064 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccsc1 ZINC000487103828 502360255 /nfs/dbraw/zinc/36/02/55/502360255.db2.gz OCAHUIGCEQBMAI-ZWKOTPCHSA-N 2 1 366.575 3.113 20 0 FGADMP Cc1ccc(CN(C(=O)CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C2CC2)cc1 ZINC000472477342 502362942 /nfs/dbraw/zinc/36/29/42/502362942.db2.gz LDRKDFLDZJTRPM-NRFANRHFSA-N 2 1 369.553 3.150 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809765 502391235 /nfs/dbraw/zinc/39/12/35/502391235.db2.gz JTSMRUPBZRBSNS-ROUUACIJSA-N 2 1 364.534 3.036 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465872805 502410775 /nfs/dbraw/zinc/41/07/75/502410775.db2.gz KWUNUXTYXUVXHF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465872805 502410779 /nfs/dbraw/zinc/41/07/79/502410779.db2.gz KWUNUXTYXUVXHF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465872805 502410784 /nfs/dbraw/zinc/41/07/84/502410784.db2.gz KWUNUXTYXUVXHF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483507136 502414313 /nfs/dbraw/zinc/41/43/13/502414313.db2.gz HWDCLKSUKSFUSL-LAUBAEHRSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000483507136 502414320 /nfs/dbraw/zinc/41/43/20/502414320.db2.gz HWDCLKSUKSFUSL-LAUBAEHRSA-N 2 1 351.494 3.139 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)[NH+](C)C)cc1 ZINC000483513095 502415946 /nfs/dbraw/zinc/41/59/46/502415946.db2.gz BGNYTCRBNQEHQL-UIFIKXQLSA-N 2 1 374.573 3.366 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890952 502416535 /nfs/dbraw/zinc/41/65/35/502416535.db2.gz KPUPGCBDAUYLKO-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000465890952 502416540 /nfs/dbraw/zinc/41/65/40/502416540.db2.gz KPUPGCBDAUYLKO-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465890952 502416545 /nfs/dbraw/zinc/41/65/45/502416545.db2.gz KPUPGCBDAUYLKO-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567410 502434269 /nfs/dbraw/zinc/43/42/69/502434269.db2.gz JIGPKKFTJBXAHI-ACRUOGEOSA-N 2 1 357.542 3.086 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000469523060 502451076 /nfs/dbraw/zinc/45/10/76/502451076.db2.gz CNDXDKNIOKNUEF-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523060 502451082 /nfs/dbraw/zinc/45/10/82/502451082.db2.gz CNDXDKNIOKNUEF-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523060 502451089 /nfs/dbraw/zinc/45/10/89/502451089.db2.gz CNDXDKNIOKNUEF-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469523060 502451095 /nfs/dbraw/zinc/45/10/95/502451095.db2.gz CNDXDKNIOKNUEF-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469523060 502451098 /nfs/dbraw/zinc/45/10/98/502451098.db2.gz CNDXDKNIOKNUEF-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000469767862 502537727 /nfs/dbraw/zinc/53/77/27/502537727.db2.gz ZZZKRKPSKGPTNT-MOJGAOKDSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000469767862 502537734 /nfs/dbraw/zinc/53/77/34/502537734.db2.gz ZZZKRKPSKGPTNT-MOJGAOKDSA-N 2 1 371.569 3.380 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)[NH+](C)C)cc1 ZINC000476631425 502544893 /nfs/dbraw/zinc/54/48/93/502544893.db2.gz RLCPNFNSJPVJNH-WOJBJXKFSA-N 2 1 360.546 3.025 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000487844289 502545379 /nfs/dbraw/zinc/54/53/79/502545379.db2.gz VDNCUOARVNTFKN-NLWGTHIKSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000487857355 502548421 /nfs/dbraw/zinc/54/84/21/502548421.db2.gz JTNNAVYBKJSOBT-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP COCC[NH+]1CCC(NC[C@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000469800662 502550541 /nfs/dbraw/zinc/55/05/41/502550541.db2.gz RMEQCGJKENRUNR-GOSISDBHSA-N 2 1 373.463 3.009 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000487863277 502550852 /nfs/dbraw/zinc/55/08/52/502550852.db2.gz VWAWAXNLTGZLAF-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)CC(C)(C)C[NH3+] ZINC000469862777 502573119 /nfs/dbraw/zinc/57/31/19/502573119.db2.gz NIGIEALGIJFHSY-UHFFFAOYSA-N 2 1 357.292 3.027 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000462789930 502574294 /nfs/dbraw/zinc/57/42/94/502574294.db2.gz LMBHOOGEJIPDKH-QFIPXVFZSA-N 2 1 369.557 3.241 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCCO ZINC000484130925 502577947 /nfs/dbraw/zinc/57/79/47/502577947.db2.gz QETCJYJLRNPPEG-GHTZIAJQSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCCO ZINC000484130925 502577949 /nfs/dbraw/zinc/57/79/49/502577949.db2.gz QETCJYJLRNPPEG-GHTZIAJQSA-N 2 1 354.494 3.058 20 0 FGADMP CCOc1cc2[nH+]ccc(N3CC[N@@H+](CCOC)[C@H](C)C3)c2cc1OCC ZINC000462808926 502584431 /nfs/dbraw/zinc/58/44/31/502584431.db2.gz QIXPLWLEUKNJCI-MRXNPFEDSA-N 2 1 373.497 3.189 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000480601480 502617028 /nfs/dbraw/zinc/61/70/28/502617028.db2.gz AHOYPXWUOMNVDH-NCYKPQTJSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000480601480 502617032 /nfs/dbraw/zinc/61/70/32/502617032.db2.gz AHOYPXWUOMNVDH-NCYKPQTJSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000480601480 502617038 /nfs/dbraw/zinc/61/70/38/502617038.db2.gz AHOYPXWUOMNVDH-NCYKPQTJSA-N 3 1 353.595 3.081 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988649 502620451 /nfs/dbraw/zinc/62/04/51/502620451.db2.gz DCMFKANISPEQRB-HOTGVXAUSA-N 2 1 371.447 3.068 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988649 502620460 /nfs/dbraw/zinc/62/04/60/502620460.db2.gz DCMFKANISPEQRB-HOTGVXAUSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001529 502626592 /nfs/dbraw/zinc/62/65/92/502626592.db2.gz XLODUVWEUUCCRR-DZGCQCFKSA-N 2 1 363.303 3.194 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001529 502626596 /nfs/dbraw/zinc/62/65/96/502626596.db2.gz XLODUVWEUUCCRR-DZGCQCFKSA-N 2 1 363.303 3.194 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1)N1CC[NH2+]CC1 ZINC000470021038 502632514 /nfs/dbraw/zinc/63/25/14/502632514.db2.gz PDXZUYVNENAGAH-GOSISDBHSA-N 2 1 369.534 3.059 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473574425 502642193 /nfs/dbraw/zinc/64/21/93/502642193.db2.gz ZHVZCIUCVAKDBV-KDURUIRLSA-N 2 1 369.534 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000480689135 502644082 /nfs/dbraw/zinc/64/40/82/502644082.db2.gz VXBGZVNFYLRIJU-WIYYLYMNSA-N 2 1 356.514 3.023 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463027296 502665249 /nfs/dbraw/zinc/66/52/49/502665249.db2.gz GEJAIPYAKWGOEP-FUHWJXTLSA-N 2 1 361.530 3.102 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2)C1 ZINC000470117914 502666013 /nfs/dbraw/zinc/66/60/13/502666013.db2.gz RBVMGDMJNOWRQZ-SQNIBIBYSA-N 2 1 359.514 3.219 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000463123584 502702033 /nfs/dbraw/zinc/70/20/33/502702033.db2.gz ORZHRSURMKSGMB-WMLDXEAASA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000463123584 502702039 /nfs/dbraw/zinc/70/20/39/502702039.db2.gz ORZHRSURMKSGMB-WMLDXEAASA-N 2 1 359.436 3.327 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463161580 502709075 /nfs/dbraw/zinc/70/90/75/502709075.db2.gz NOJRSYCWJBJGFJ-YSIASYRMSA-N 2 1 367.541 3.359 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463161580 502709079 /nfs/dbraw/zinc/70/90/79/502709079.db2.gz NOJRSYCWJBJGFJ-YSIASYRMSA-N 2 1 367.541 3.359 20 0 FGADMP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)ccc1C ZINC000480944093 502710833 /nfs/dbraw/zinc/71/08/33/502710833.db2.gz YFRVJKPYJYONKZ-HXUWFJFHSA-N 2 1 360.546 3.437 20 0 FGADMP C[C@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000463173217 502712064 /nfs/dbraw/zinc/71/20/64/502712064.db2.gz SAWFFGPCABOVJM-VQIMIIECSA-N 2 1 361.555 3.360 20 0 FGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000488440113 502715170 /nfs/dbraw/zinc/71/51/70/502715170.db2.gz IXDLBXGNEUYMBR-ACRUOGEOSA-N 2 1 361.599 3.485 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478269 502727069 /nfs/dbraw/zinc/72/70/69/502727069.db2.gz BMYXMWSCGCJODI-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488507089 502735520 /nfs/dbraw/zinc/73/55/20/502735520.db2.gz VWALLGMJVSPMFG-DBXWQHBBSA-N 2 1 372.557 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1 ZINC000488507089 502735524 /nfs/dbraw/zinc/73/55/24/502735524.db2.gz VWALLGMJVSPMFG-DBXWQHBBSA-N 2 1 372.557 3.010 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1Cl ZINC000484791129 502741394 /nfs/dbraw/zinc/74/13/94/502741394.db2.gz NMKDZLUYAXSADX-JOCBIADPSA-N 2 1 352.906 3.244 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000470361885 502749541 /nfs/dbraw/zinc/74/95/41/502749541.db2.gz LZRBGXVCMDITIA-HKUYNNGSSA-N 2 1 363.505 3.320 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481163692 502769126 /nfs/dbraw/zinc/76/91/26/502769126.db2.gz AVAGCEWMBVPFRJ-CNNODRBYSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481163692 502769132 /nfs/dbraw/zinc/76/91/32/502769132.db2.gz AVAGCEWMBVPFRJ-CNNODRBYSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481163696 502769786 /nfs/dbraw/zinc/76/97/86/502769786.db2.gz AVAGCEWMBVPFRJ-IPJJNNNSSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000481163696 502769790 /nfs/dbraw/zinc/76/97/90/502769790.db2.gz AVAGCEWMBVPFRJ-IPJJNNNSSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167484 502770113 /nfs/dbraw/zinc/77/01/13/502770113.db2.gz CJZANJOYEBHDSZ-UGKGYDQZSA-N 2 1 369.553 3.493 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167484 502770119 /nfs/dbraw/zinc/77/01/19/502770119.db2.gz CJZANJOYEBHDSZ-UGKGYDQZSA-N 2 1 369.553 3.493 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167481 502770215 /nfs/dbraw/zinc/77/02/15/502770215.db2.gz CJZANJOYEBHDSZ-SIKLNZKXSA-N 2 1 369.553 3.493 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167481 502770224 /nfs/dbraw/zinc/77/02/24/502770224.db2.gz CJZANJOYEBHDSZ-SIKLNZKXSA-N 2 1 369.553 3.493 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481168967 502771982 /nfs/dbraw/zinc/77/19/82/502771982.db2.gz FGMXDTPVCKCOFU-UGKGYDQZSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481168967 502771985 /nfs/dbraw/zinc/77/19/85/502771985.db2.gz FGMXDTPVCKCOFU-UGKGYDQZSA-N 2 1 365.521 3.111 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481176160 502772773 /nfs/dbraw/zinc/77/27/73/502772773.db2.gz XIJVIRAXKQWCSV-LPWGVKJSSA-N 2 1 357.542 3.182 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481176160 502772780 /nfs/dbraw/zinc/77/27/80/502772780.db2.gz XIJVIRAXKQWCSV-LPWGVKJSSA-N 2 1 357.542 3.182 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000481175555 502772806 /nfs/dbraw/zinc/77/28/06/502772806.db2.gz WQJVSKIHWXWLRE-CTNGQTDRSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000481175555 502772808 /nfs/dbraw/zinc/77/28/08/502772808.db2.gz WQJVSKIHWXWLRE-CTNGQTDRSA-N 2 1 359.558 3.380 20 0 FGADMP C[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000477441830 502774435 /nfs/dbraw/zinc/77/44/35/502774435.db2.gz WSIVSBCSBFAOQU-MRXNPFEDSA-N 2 1 357.473 3.024 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@@H](C)[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933319 502781074 /nfs/dbraw/zinc/78/10/74/502781074.db2.gz GXPXJVXNWOLTKC-OPYAIIAOSA-N 2 1 373.541 3.069 20 0 FGADMP C[N@H+](CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000488698124 502784015 /nfs/dbraw/zinc/78/40/15/502784015.db2.gz FXEZNFDNELTTKL-UHFFFAOYSA-N 2 1 365.521 3.241 20 0 FGADMP C[N@@H+](CC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)Cc1ccccc1 ZINC000488698124 502784016 /nfs/dbraw/zinc/78/40/16/502784016.db2.gz FXEZNFDNELTTKL-UHFFFAOYSA-N 2 1 365.521 3.241 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000496411288 502888058 /nfs/dbraw/zinc/88/80/58/502888058.db2.gz LQTZKWGNTBPIAS-ICSRJNTNSA-N 2 1 373.541 3.165 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000496411288 502888062 /nfs/dbraw/zinc/88/80/62/502888062.db2.gz LQTZKWGNTBPIAS-ICSRJNTNSA-N 2 1 373.541 3.165 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152634 502888636 /nfs/dbraw/zinc/88/86/36/502888636.db2.gz YHJHNQIIMZXVQX-UFYCRDLUSA-N 2 1 364.578 3.014 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000496573422 502894911 /nfs/dbraw/zinc/89/49/11/502894911.db2.gz OLHGEKFNHFCUKJ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCOc4ccc(F)cc4C3)c2cc1C ZINC000489184698 502896152 /nfs/dbraw/zinc/89/61/52/502896152.db2.gz FYPKUXNISAODOQ-GOSISDBHSA-N 2 1 369.440 3.048 20 0 FGADMP C[NH+](C)CCOc1ccccc1N1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000497215864 502926704 /nfs/dbraw/zinc/92/67/04/502926704.db2.gz SPDOHQBSWJMULP-UHFFFAOYSA-N 2 1 360.889 3.002 20 0 FGADMP CC1CCC(N(C)C(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000501070590 502928110 /nfs/dbraw/zinc/92/81/10/502928110.db2.gz SQQJPHAEUMVWSR-UHFFFAOYSA-N 2 1 372.557 3.267 20 0 FGADMP C(C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399847 502948190 /nfs/dbraw/zinc/94/81/90/502948190.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399847 502948197 /nfs/dbraw/zinc/94/81/97/502948197.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399847 502948201 /nfs/dbraw/zinc/94/82/01/502948201.db2.gz ZGMHMTPGPJNAOX-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000513499542 502953405 /nfs/dbraw/zinc/95/34/05/502953405.db2.gz GXJZOAVSTKXRJT-JQIJEIRASA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505629244 502953756 /nfs/dbraw/zinc/95/37/56/502953756.db2.gz FBLAQOUXYKTJOL-YYWHXJBOSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505629244 502953760 /nfs/dbraw/zinc/95/37/60/502953760.db2.gz FBLAQOUXYKTJOL-YYWHXJBOSA-N 2 1 351.494 3.069 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489532281 502979754 /nfs/dbraw/zinc/97/97/54/502979754.db2.gz IEVONIFBOAGYCO-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000513656263 502992108 /nfs/dbraw/zinc/99/21/08/502992108.db2.gz QYWTVYRKAJPXIN-OAGGEKHMSA-N 2 1 353.304 3.420 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c2nccn21 ZINC000582649144 506345849 /nfs/dbraw/zinc/34/58/49/506345849.db2.gz LZSJRSWUICRABX-MJQMVNBJSA-N 2 1 367.497 3.193 20 0 FGADMP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672837 502997020 /nfs/dbraw/zinc/99/70/20/502997020.db2.gz MRURYTRNUXNNCY-PCCBWWKXSA-N 2 1 357.542 3.182 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000501462803 503014620 /nfs/dbraw/zinc/01/46/20/503014620.db2.gz QZGAUYVGJQXPMT-MZYLBHOOSA-N 2 1 365.521 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000501462803 503014622 /nfs/dbraw/zinc/01/46/22/503014622.db2.gz QZGAUYVGJQXPMT-MZYLBHOOSA-N 2 1 365.521 3.334 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000497776029 503038702 /nfs/dbraw/zinc/03/87/02/503038702.db2.gz JDJPQWLGKMCFEZ-OTYNDTSQSA-N 2 1 357.542 3.465 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000501595917 503046466 /nfs/dbraw/zinc/04/64/66/503046466.db2.gz PBBAHAULIQCXIJ-RBUKOAKNSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000501721291 503067479 /nfs/dbraw/zinc/06/74/79/503067479.db2.gz VPVDXKKQWAXWAX-SFHLNBCPSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000501721291 503067481 /nfs/dbraw/zinc/06/74/81/503067481.db2.gz VPVDXKKQWAXWAX-SFHLNBCPSA-N 2 1 372.557 3.053 20 0 FGADMP C[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCCCC1 ZINC000514016039 503069893 /nfs/dbraw/zinc/06/98/93/503069893.db2.gz RNVJLBZFZUODPY-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000501760822 503073894 /nfs/dbraw/zinc/07/38/94/503073894.db2.gz YQKQTRWMJPCKSJ-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)c1 ZINC000510244330 503078508 /nfs/dbraw/zinc/07/85/08/503078508.db2.gz QOLZPRYGMUVKJI-UHFFFAOYSA-N 2 1 353.466 3.262 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000514083819 503083557 /nfs/dbraw/zinc/08/35/57/503083557.db2.gz MUPQVRQPIXFFNY-WLRLJWMZSA-N 2 1 357.542 3.295 20 0 FGADMP Fc1cccc(Oc2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000489990935 503084707 /nfs/dbraw/zinc/08/47/07/503084707.db2.gz SEJDCBJAZDOYKG-LJQANCHMSA-N 2 1 355.457 3.098 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000501914158 503108135 /nfs/dbraw/zinc/10/81/35/503108135.db2.gz LFESGCIKZSYTDF-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000514859178 503211725 /nfs/dbraw/zinc/21/17/25/503211725.db2.gz ITWBSHMTDINQNS-VQSBYGRUSA-N 2 1 359.514 3.286 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832770 503233416 /nfs/dbraw/zinc/23/34/16/503233416.db2.gz BKDPZWGWRYZMPN-VCOUNFBDSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832770 503233418 /nfs/dbraw/zinc/23/34/18/503233418.db2.gz BKDPZWGWRYZMPN-VCOUNFBDSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832770 503233419 /nfs/dbraw/zinc/23/34/19/503233419.db2.gz BKDPZWGWRYZMPN-VCOUNFBDSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)CN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000511057169 503244233 /nfs/dbraw/zinc/24/42/33/503244233.db2.gz SNUYSXZHJALUNS-NRFANRHFSA-N 2 1 371.569 3.477 20 0 FGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000502688362 503251904 /nfs/dbraw/zinc/25/19/04/503251904.db2.gz WCXMOHDHLPJGLV-ILWGZMRPSA-N 2 1 359.558 3.160 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048216 503259604 /nfs/dbraw/zinc/25/96/04/503259604.db2.gz BZDIQTJCFKFRCA-VQTJNVASSA-N 2 1 373.541 3.117 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491050925 503265803 /nfs/dbraw/zinc/26/58/03/503265803.db2.gz IFXNUBFARVYNGT-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502820737 503280416 /nfs/dbraw/zinc/28/04/16/503280416.db2.gz CFTRJVBEWQVTIC-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000511437173 503321582 /nfs/dbraw/zinc/32/15/82/503321582.db2.gz IBQRUKRRIRCDOG-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000499067960 503325881 /nfs/dbraw/zinc/32/58/81/503325881.db2.gz DKUUIABWLWDKQW-UHFFFAOYSA-N 2 1 364.287 3.250 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000503021998 503327496 /nfs/dbraw/zinc/32/74/96/503327496.db2.gz DJBSRHCANFJXKL-QGZVFWFLSA-N 2 1 358.530 3.043 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2cc3c(cc2OC(F)F)OCO3)CC1 ZINC000511505060 503333478 /nfs/dbraw/zinc/33/34/78/503333478.db2.gz MFTUVMSMPCLTCP-UHFFFAOYSA-N 2 1 356.413 3.180 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000499149723 503344882 /nfs/dbraw/zinc/34/48/82/503344882.db2.gz HGMWOTMJDPMKMB-KOUNCHBCSA-N 2 1 363.505 3.331 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511581439 503347179 /nfs/dbraw/zinc/34/71/79/503347179.db2.gz PMCMPFGPQAQGAO-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511581439 503347183 /nfs/dbraw/zinc/34/71/83/503347183.db2.gz PMCMPFGPQAQGAO-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511581439 503347186 /nfs/dbraw/zinc/34/71/86/503347186.db2.gz PMCMPFGPQAQGAO-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000499200488 503354234 /nfs/dbraw/zinc/35/42/34/503354234.db2.gz BZGIWVHVSMOXHS-ZJOUEHCJSA-N 2 1 374.573 3.263 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503360213 503394480 /nfs/dbraw/zinc/39/44/80/503394480.db2.gz GZYWXKHTYRWWSW-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP CCc1noc(-c2ccc(CC[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)n1 ZINC000512055387 503446114 /nfs/dbraw/zinc/44/61/14/503446114.db2.gz BYZVMUMSOVJKJY-UHFFFAOYSA-N 2 1 371.510 3.149 20 0 FGADMP C[N@H+](CCCCC1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000499648457 503449180 /nfs/dbraw/zinc/44/91/80/503449180.db2.gz UHNSTIRAYUIPIH-JOCHJYFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[N@@H+](CCCCC1CCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000499648457 503449184 /nfs/dbraw/zinc/44/91/84/503449184.db2.gz UHNSTIRAYUIPIH-JOCHJYFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[NH+](CCCCC1CCOCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000499648457 503449188 /nfs/dbraw/zinc/44/91/88/503449188.db2.gz UHNSTIRAYUIPIH-JOCHJYFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[NH+](CCCCC1CCOCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000499648457 503449189 /nfs/dbraw/zinc/44/91/89/503449189.db2.gz UHNSTIRAYUIPIH-JOCHJYFZSA-N 2 1 360.542 3.152 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499660082 503452036 /nfs/dbraw/zinc/45/20/36/503452036.db2.gz PBIWQPHVOKDGDJ-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660082 503452037 /nfs/dbraw/zinc/45/20/37/503452037.db2.gz PBIWQPHVOKDGDJ-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660082 503452039 /nfs/dbraw/zinc/45/20/39/503452039.db2.gz PBIWQPHVOKDGDJ-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cc(Br)cc(C)c21 ZINC000493979089 503469983 /nfs/dbraw/zinc/46/99/83/503469983.db2.gz WTLVWJXUSIVRCP-INIZCTEOSA-N 2 1 355.320 3.303 20 0 FGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000516224928 503476046 /nfs/dbraw/zinc/47/60/46/503476046.db2.gz QFECWFRFUHWKTG-NRFANRHFSA-N 2 1 359.558 3.322 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000516241912 503479782 /nfs/dbraw/zinc/47/97/82/503479782.db2.gz XXYNWRGUYKAOTA-YOUFYPILSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000516241912 503479784 /nfs/dbraw/zinc/47/97/84/503479784.db2.gz XXYNWRGUYKAOTA-YOUFYPILSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000516241912 503479785 /nfs/dbraw/zinc/47/97/85/503479785.db2.gz XXYNWRGUYKAOTA-YOUFYPILSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000516241912 503479787 /nfs/dbraw/zinc/47/97/87/503479787.db2.gz XXYNWRGUYKAOTA-YOUFYPILSA-N 2 1 372.557 3.051 20 0 FGADMP Cn1nnc2cc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260425 503501395 /nfs/dbraw/zinc/50/13/95/503501395.db2.gz LGYAQTGUKSQMLQ-JOCHJYFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260425 503501398 /nfs/dbraw/zinc/50/13/98/503501398.db2.gz LGYAQTGUKSQMLQ-JOCHJYFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260425 503501402 /nfs/dbraw/zinc/50/14/02/503501402.db2.gz LGYAQTGUKSQMLQ-JOCHJYFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[NH+]3CC[C@@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260425 503501403 /nfs/dbraw/zinc/50/14/03/503501403.db2.gz LGYAQTGUKSQMLQ-JOCHJYFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260426 503501763 /nfs/dbraw/zinc/50/17/63/503501763.db2.gz LGYAQTGUKSQMLQ-QFIPXVFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260426 503501767 /nfs/dbraw/zinc/50/17/67/503501767.db2.gz LGYAQTGUKSQMLQ-QFIPXVFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260426 503501773 /nfs/dbraw/zinc/50/17/73/503501773.db2.gz LGYAQTGUKSQMLQ-QFIPXVFZSA-N 2 1 361.493 3.066 20 0 FGADMP Cn1nnc2cc(C[NH+]3CC[C@]4(CC[N@@H+](Cc5ccccc5)C4)C3)ccc21 ZINC000512260426 503501778 /nfs/dbraw/zinc/50/17/78/503501778.db2.gz LGYAQTGUKSQMLQ-QFIPXVFZSA-N 2 1 361.493 3.066 20 0 FGADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000499887291 503502748 /nfs/dbraw/zinc/50/27/48/503502748.db2.gz LFIYLLMHEZDQIM-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887291 503502754 /nfs/dbraw/zinc/50/27/54/503502754.db2.gz LFIYLLMHEZDQIM-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887291 503502758 /nfs/dbraw/zinc/50/27/58/503502758.db2.gz LFIYLLMHEZDQIM-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)C2)CC1 ZINC000512301013 503514128 /nfs/dbraw/zinc/51/41/28/503514128.db2.gz HLJGZHIMWBKQQQ-QFIPXVFZSA-N 2 1 357.542 3.029 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000508581146 503523259 /nfs/dbraw/zinc/52/32/59/503523259.db2.gz UQORBEKPXRDACW-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000508581146 503523264 /nfs/dbraw/zinc/52/32/64/503523264.db2.gz UQORBEKPXRDACW-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508581146 503523268 /nfs/dbraw/zinc/52/32/68/503523268.db2.gz UQORBEKPXRDACW-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H](C)C2)ccn1 ZINC000504149702 503531041 /nfs/dbraw/zinc/53/10/41/503531041.db2.gz FNEWCRCFOLLKFI-INIZCTEOSA-N 2 1 352.482 3.366 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562184 503537558 /nfs/dbraw/zinc/53/75/58/503537558.db2.gz DCVVQSCPJKSAEY-MVVFMWOOSA-N 3 1 368.569 3.035 20 0 FGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562184 503537561 /nfs/dbraw/zinc/53/75/61/503537561.db2.gz DCVVQSCPJKSAEY-MVVFMWOOSA-N 3 1 368.569 3.035 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000504420581 503572153 /nfs/dbraw/zinc/57/21/53/503572153.db2.gz XIPMLRKQDRZZLW-VQTJNVASSA-N 2 1 360.546 3.192 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000494683440 503591543 /nfs/dbraw/zinc/59/15/43/503591543.db2.gz AIBOSXVFQKNNGG-LVCYWYKZSA-N 2 1 357.542 3.313 20 0 FGADMP C(C[NH+]1CCC[C@@H](OCC2CC2)C1)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494700134 503594525 /nfs/dbraw/zinc/59/45/25/503594525.db2.gz BKOQCGBDBIUXDH-NHCUHLMSSA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@@H](OCC2CC2)C1)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494700134 503594528 /nfs/dbraw/zinc/59/45/28/503594528.db2.gz BKOQCGBDBIUXDH-NHCUHLMSSA-N 2 1 350.547 3.159 20 0 FGADMP CC(C)Oc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512669214 503608227 /nfs/dbraw/zinc/60/82/27/503608227.db2.gz QYGOYEOADUDXJC-BGYRXZFFSA-N 2 1 359.558 3.464 20 0 FGADMP CC(C)Oc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000512669214 503608229 /nfs/dbraw/zinc/60/82/29/503608229.db2.gz QYGOYEOADUDXJC-BGYRXZFFSA-N 2 1 359.558 3.464 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1)C1CC1 ZINC000516973005 503635765 /nfs/dbraw/zinc/63/57/65/503635765.db2.gz NONGDSUYFBVMRV-JOCHJYFZSA-N 2 1 363.505 3.369 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495082503 503662915 /nfs/dbraw/zinc/66/29/15/503662915.db2.gz WDEJCYQPHIDLPE-IBGZPJMESA-N 2 1 355.482 3.058 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000536676836 503673948 /nfs/dbraw/zinc/67/39/48/503673948.db2.gz XBINHMSCOKFVMI-UHFFFAOYSA-N 2 1 362.848 3.484 20 0 FGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000527099072 503679110 /nfs/dbraw/zinc/67/91/10/503679110.db2.gz ZUAHLYOTMPOUHJ-QFBILLFUSA-N 2 1 361.530 3.397 20 0 FGADMP COc1cc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)ccc1OCC(F)(F)F ZINC000495147148 503681195 /nfs/dbraw/zinc/68/11/95/503681195.db2.gz IEKOPEMAQBRVJR-GJZGRUSLSA-N 2 1 358.404 3.162 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000527108034 503681610 /nfs/dbraw/zinc/68/16/10/503681610.db2.gz XZLTUXYDSQNDHH-OYRHEFFESA-N 2 1 359.558 3.336 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000540146748 503688580 /nfs/dbraw/zinc/68/85/80/503688580.db2.gz KZFURICYIWOBRP-CEMLEFRQSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000540146748 503688584 /nfs/dbraw/zinc/68/85/84/503688584.db2.gz KZFURICYIWOBRP-CEMLEFRQSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000540146748 503688591 /nfs/dbraw/zinc/68/85/91/503688591.db2.gz KZFURICYIWOBRP-CEMLEFRQSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255814 503695062 /nfs/dbraw/zinc/69/50/62/503695062.db2.gz XQRITVHZCBNRHW-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1)CC(C)C ZINC000540235284 503718843 /nfs/dbraw/zinc/71/88/43/503718843.db2.gz NOAADMBEWQJRAF-LJQANCHMSA-N 2 1 369.619 3.030 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1)CC(C)C ZINC000540235284 503718848 /nfs/dbraw/zinc/71/88/48/503718848.db2.gz NOAADMBEWQJRAF-LJQANCHMSA-N 2 1 369.619 3.030 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+](C)[C@@H]2CCSC2)CC1)CC(C)C ZINC000540235284 503718852 /nfs/dbraw/zinc/71/88/52/503718852.db2.gz NOAADMBEWQJRAF-LJQANCHMSA-N 2 1 369.619 3.030 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865558 503742712 /nfs/dbraw/zinc/74/27/12/503742712.db2.gz YPRFCVRCBVBDBJ-CEXWTWQISA-N 2 1 356.514 3.412 20 0 FGADMP Cc1cc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404668 503756547 /nfs/dbraw/zinc/75/65/47/503756547.db2.gz PYYUUAJWSZDWNA-IFMALSPDSA-N 2 1 371.500 3.445 20 0 FGADMP CN1CC[NH+](CCCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543405564 503757969 /nfs/dbraw/zinc/75/79/69/503757969.db2.gz YUZGVBFEQULIEP-NRFANRHFSA-N 2 1 374.479 3.066 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541702 503766876 /nfs/dbraw/zinc/76/68/76/503766876.db2.gz QOOUNNPAJXJRMB-UYAOXDASSA-N 2 1 372.557 3.386 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000517576319 503776380 /nfs/dbraw/zinc/77/63/80/503776380.db2.gz KEMUOGYGVJGOGV-IEBWSBKVSA-N 2 1 352.567 3.061 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014038 503777304 /nfs/dbraw/zinc/77/73/04/503777304.db2.gz ZDANYKRYGSBGEV-GOTSBHOMSA-N 2 1 366.505 3.373 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014038 503777310 /nfs/dbraw/zinc/77/73/10/503777310.db2.gz ZDANYKRYGSBGEV-GOTSBHOMSA-N 2 1 366.505 3.373 20 0 FGADMP CCn1cc(C[NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000537024347 503779663 /nfs/dbraw/zinc/77/96/63/503779663.db2.gz IGKSZXIQLJPMKO-KDURUIRLSA-N 2 1 370.541 3.202 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530028361 503801494 /nfs/dbraw/zinc/80/14/94/503801494.db2.gz KUFVYXITIGIBJZ-MRXNPFEDSA-N 2 1 355.482 3.241 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000527481609 503805167 /nfs/dbraw/zinc/80/51/67/503805167.db2.gz SBHRBFMXAFPFHP-INIZCTEOSA-N 2 1 352.544 3.203 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000527481609 503805171 /nfs/dbraw/zinc/80/51/71/503805171.db2.gz SBHRBFMXAFPFHP-INIZCTEOSA-N 2 1 352.544 3.203 20 0 FGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693356 503809124 /nfs/dbraw/zinc/80/91/24/503809124.db2.gz PNNRHVCIOIFCHN-AVRDEDQJSA-N 2 1 369.553 3.025 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)CC2 ZINC000527528361 503826165 /nfs/dbraw/zinc/82/61/65/503826165.db2.gz DBHBUGCZRUJSNE-QGZVFWFLSA-N 2 1 360.546 3.217 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C2 ZINC000527528361 503826168 /nfs/dbraw/zinc/82/61/68/503826168.db2.gz DBHBUGCZRUJSNE-QGZVFWFLSA-N 2 1 360.546 3.217 20 0 FGADMP Cn1cc(-c2nc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cs2)cn1 ZINC000527631300 503866906 /nfs/dbraw/zinc/86/69/06/503866906.db2.gz GIYBZSMGMSDWPY-UHFFFAOYSA-N 2 1 367.522 3.429 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539541 503881632 /nfs/dbraw/zinc/88/16/32/503881632.db2.gz XOYWSFHVXAAJBT-PVAVHDDUSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539541 503881636 /nfs/dbraw/zinc/88/16/36/503881636.db2.gz XOYWSFHVXAAJBT-PVAVHDDUSA-N 2 1 358.404 3.269 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000543777035 503887641 /nfs/dbraw/zinc/88/76/41/503887641.db2.gz IOIIPWUXLCFYJB-UTKZUKDTSA-N 2 1 353.510 3.452 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000543777035 503887645 /nfs/dbraw/zinc/88/76/45/503887645.db2.gz IOIIPWUXLCFYJB-UTKZUKDTSA-N 2 1 353.510 3.452 20 0 FGADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527762846 503931845 /nfs/dbraw/zinc/93/18/45/503931845.db2.gz NPNDESCDCJAYCI-IBGZPJMESA-N 2 1 361.917 3.047 20 0 FGADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527762846 503931849 /nfs/dbraw/zinc/93/18/49/503931849.db2.gz NPNDESCDCJAYCI-IBGZPJMESA-N 2 1 361.917 3.047 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534146 503945672 /nfs/dbraw/zinc/94/56/72/503945672.db2.gz APIIUZWEFHUHKS-AVRDEDQJSA-N 2 1 368.525 3.345 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C3CCOCC3)C2)CC1 ZINC000537650143 503992325 /nfs/dbraw/zinc/99/23/25/503992325.db2.gz HPZPLDRHECNVQR-NRFANRHFSA-N 2 1 371.569 3.467 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527941170 504007510 /nfs/dbraw/zinc/00/75/10/504007510.db2.gz XVZTULJCXCXLRG-NJAFHUGGSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527941170 504007515 /nfs/dbraw/zinc/00/75/15/504007515.db2.gz XVZTULJCXCXLRG-NJAFHUGGSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC(C)(C)C1 ZINC000544116281 504012958 /nfs/dbraw/zinc/01/29/58/504012958.db2.gz CTLIERGDGKZHLS-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP CCN1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541175966 504032379 /nfs/dbraw/zinc/03/23/79/504032379.db2.gz MEMCZBYDKAPRBW-PKOBYXMFSA-N 2 1 355.448 3.313 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OCC(F)F)cc2)C[C@H](C)O1 ZINC000530633424 504034080 /nfs/dbraw/zinc/03/40/80/504034080.db2.gz PVOMHMIKTSJVKS-IYBDPMFKSA-N 2 1 356.457 3.310 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2C)CC1 ZINC000528008029 504036867 /nfs/dbraw/zinc/03/68/67/504036867.db2.gz WCQDPTMGQFOKIL-CZAAIQMYSA-N 2 1 355.526 3.446 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662920 504043619 /nfs/dbraw/zinc/04/36/19/504043619.db2.gz RAYZYMXYJMXKDJ-QMMLZNLJSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662920 504043624 /nfs/dbraw/zinc/04/36/24/504043624.db2.gz RAYZYMXYJMXKDJ-QMMLZNLJSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662920 504043627 /nfs/dbraw/zinc/04/36/27/504043627.db2.gz RAYZYMXYJMXKDJ-QMMLZNLJSA-N 2 1 356.510 3.384 20 0 FGADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Cl)c1C ZINC000541214016 504045325 /nfs/dbraw/zinc/04/53/25/504045325.db2.gz XVWILZABKVWUCX-UHFFFAOYSA-N 2 1 358.873 3.356 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2cccs2)CC1)CC1CC1 ZINC000537845735 504062066 /nfs/dbraw/zinc/06/20/66/504062066.db2.gz FHULKYFBYDOWPP-UHFFFAOYSA-N 2 1 363.571 3.198 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946347 504091448 /nfs/dbraw/zinc/09/14/48/504091448.db2.gz AREGZVCIQAKBGP-XJUOHMSHSA-N 2 1 373.585 3.406 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000544367819 504105326 /nfs/dbraw/zinc/10/53/26/504105326.db2.gz IIJWSNSDJZDVJH-JOCHJYFZSA-N 2 1 359.558 3.080 20 0 FGADMP C[C@H](C[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134793 /nfs/dbraw/zinc/13/47/93/504134793.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134797 /nfs/dbraw/zinc/13/47/97/504134797.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000544439491 504134798 /nfs/dbraw/zinc/13/47/98/504134798.db2.gz ZJQADBUISRYAGV-OUUBHVDSSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000519156762 504152992 /nfs/dbraw/zinc/15/29/92/504152992.db2.gz LHHRGNKXGKYEDW-COPCDDAFSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000541513668 504156966 /nfs/dbraw/zinc/15/69/66/504156966.db2.gz GARLOJKMPBBFAF-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000541513668 504156973 /nfs/dbraw/zinc/15/69/73/504156973.db2.gz GARLOJKMPBBFAF-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000541513668 504156977 /nfs/dbraw/zinc/15/69/77/504156977.db2.gz GARLOJKMPBBFAF-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000541513668 504156981 /nfs/dbraw/zinc/15/69/81/504156981.db2.gz GARLOJKMPBBFAF-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307783 504161322 /nfs/dbraw/zinc/16/13/22/504161322.db2.gz PAQNYAOYSFJIAZ-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307783 504161328 /nfs/dbraw/zinc/16/13/28/504161328.db2.gz PAQNYAOYSFJIAZ-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307783 504161334 /nfs/dbraw/zinc/16/13/34/504161334.db2.gz PAQNYAOYSFJIAZ-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307783 504161342 /nfs/dbraw/zinc/16/13/42/504161342.db2.gz PAQNYAOYSFJIAZ-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307783 504161347 /nfs/dbraw/zinc/16/13/47/504161347.db2.gz PAQNYAOYSFJIAZ-PKOBYXMFSA-N 2 1 363.933 3.153 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541533742 504166188 /nfs/dbraw/zinc/16/61/88/504166188.db2.gz AZNRNZDSQYYQDS-JOCHJYFZSA-N 2 1 361.493 3.282 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555685 504173012 /nfs/dbraw/zinc/17/30/12/504173012.db2.gz JQWZYZFIDOAEHR-DENIHFKCSA-N 2 1 371.569 3.178 20 0 FGADMP C[C@H]1CCC[N@@H+](CCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276003 504184672 /nfs/dbraw/zinc/18/46/72/504184672.db2.gz MFCQKGFZCATSIY-AZUAARDMSA-N 2 1 357.542 3.296 20 0 FGADMP C[C@H]1CCCN(CC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276003 504184675 /nfs/dbraw/zinc/18/46/75/504184675.db2.gz MFCQKGFZCATSIY-AZUAARDMSA-N 2 1 357.542 3.296 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@@H](C)O1 ZINC000528391664 504203257 /nfs/dbraw/zinc/20/32/57/504203257.db2.gz AGSHLBGQVFUWIK-HZPDHXFCSA-N 2 1 351.922 3.446 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(c3cc[nH+]c(N4CCCCC4)n3)C2)CC1 ZINC000544678641 504213301 /nfs/dbraw/zinc/21/33/01/504213301.db2.gz FRUGPNZACNZXDX-LJQANCHMSA-N 2 1 357.546 3.415 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000538348924 504217117 /nfs/dbraw/zinc/21/71/17/504217117.db2.gz HYHCAWRQQSTKIA-IBGZPJMESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000538348924 504217128 /nfs/dbraw/zinc/21/71/28/504217128.db2.gz HYHCAWRQQSTKIA-IBGZPJMESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H](C)C3(C)CC3)CC2)cc1 ZINC000538348924 504217132 /nfs/dbraw/zinc/21/71/32/504217132.db2.gz HYHCAWRQQSTKIA-IBGZPJMESA-N 2 1 357.542 3.150 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700666 504224683 /nfs/dbraw/zinc/22/46/83/504224683.db2.gz DAAZRNQNDPAMRD-AZUAARDMSA-N 2 1 365.525 3.211 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700666 504224686 /nfs/dbraw/zinc/22/46/86/504224686.db2.gz DAAZRNQNDPAMRD-AZUAARDMSA-N 2 1 365.525 3.211 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000544706248 504227953 /nfs/dbraw/zinc/22/79/53/504227953.db2.gz NRTQIKSVFMZDKB-WMZOPIPTSA-N 2 1 368.477 3.424 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000544706248 504227956 /nfs/dbraw/zinc/22/79/56/504227956.db2.gz NRTQIKSVFMZDKB-WMZOPIPTSA-N 2 1 368.477 3.424 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000528485518 504244088 /nfs/dbraw/zinc/24/40/88/504244088.db2.gz LCEHGFZGWDSIPE-YPAWHYETSA-N 2 1 371.569 3.239 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000528485518 504244090 /nfs/dbraw/zinc/24/40/90/504244090.db2.gz LCEHGFZGWDSIPE-YPAWHYETSA-N 2 1 371.569 3.239 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000528485518 504244092 /nfs/dbraw/zinc/24/40/92/504244092.db2.gz LCEHGFZGWDSIPE-YPAWHYETSA-N 2 1 371.569 3.239 20 0 FGADMP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568267 504255901 /nfs/dbraw/zinc/25/59/01/504255901.db2.gz QMCHHHZWRMPVEG-WEYGHZABSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654309 504290440 /nfs/dbraw/zinc/29/04/40/504290440.db2.gz REWFKCXRMZLGSU-MJGOQNOKSA-N 2 1 351.494 3.045 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000538752154 504358965 /nfs/dbraw/zinc/35/89/65/504358965.db2.gz MDPJKDYVRKYVRH-HXUWFJFHSA-N 2 1 370.497 3.202 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000531624136 504368465 /nfs/dbraw/zinc/36/84/65/504368465.db2.gz ZSDBIDGRPYXJST-LJQANCHMSA-N 2 1 357.542 3.409 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538796615 504374149 /nfs/dbraw/zinc/37/41/49/504374149.db2.gz MSBOVRMYLIWPMF-RDJZCZTQSA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538796615 504374154 /nfs/dbraw/zinc/37/41/54/504374154.db2.gz MSBOVRMYLIWPMF-RDJZCZTQSA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538796615 504374157 /nfs/dbraw/zinc/37/41/57/504374157.db2.gz MSBOVRMYLIWPMF-RDJZCZTQSA-N 2 1 372.465 3.144 20 0 FGADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531645709 504377098 /nfs/dbraw/zinc/37/70/98/504377098.db2.gz UUEBHWKRMKPIOP-UHFFFAOYSA-N 2 1 365.484 3.086 20 0 FGADMP CC(C)CN(CC(F)(F)F)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531645709 504377102 /nfs/dbraw/zinc/37/71/02/504377102.db2.gz UUEBHWKRMKPIOP-UHFFFAOYSA-N 2 1 365.484 3.086 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000528808533 504393620 /nfs/dbraw/zinc/39/36/20/504393620.db2.gz OUVQEFMJNDLYSK-LJHODMEESA-N 2 1 361.917 3.046 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000531695336 504395055 /nfs/dbraw/zinc/39/50/55/504395055.db2.gz VKBAABLKMLLAGT-QWFCFKBJSA-N 2 1 360.542 3.370 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712797 504400317 /nfs/dbraw/zinc/40/03/17/504400317.db2.gz UICWRKJDRBXOOW-DHSIGJKJSA-N 2 1 371.447 3.203 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712797 504400319 /nfs/dbraw/zinc/40/03/19/504400319.db2.gz UICWRKJDRBXOOW-DHSIGJKJSA-N 2 1 371.447 3.203 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000545240311 504412132 /nfs/dbraw/zinc/41/21/32/504412132.db2.gz UCWNUOUUGXYUNP-PXNSSMCTSA-N 2 1 373.566 3.266 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2cccc(C)c2)CC1)CC1CC1 ZINC000538950603 504426801 /nfs/dbraw/zinc/42/68/01/504426801.db2.gz QCLGWHSZEZVXJK-UHFFFAOYSA-N 2 1 371.569 3.445 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000528904051 504443349 /nfs/dbraw/zinc/44/33/49/504443349.db2.gz HGCUEEYLTMTGAO-SFHVURJKSA-N 2 1 374.529 3.285 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505656 504454013 /nfs/dbraw/zinc/45/40/13/504454013.db2.gz KSHZBURUNRRNGN-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505656 504454017 /nfs/dbraw/zinc/45/40/17/504454017.db2.gz KSHZBURUNRRNGN-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505656 504454021 /nfs/dbraw/zinc/45/40/21/504454021.db2.gz KSHZBURUNRRNGN-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505656 504454027 /nfs/dbraw/zinc/45/40/27/504454027.db2.gz KSHZBURUNRRNGN-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CN1C(=O)C[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312376 504463175 /nfs/dbraw/zinc/46/31/75/504463175.db2.gz JRDRIDSPSYXSFK-DKSSEZFCSA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312376 504463181 /nfs/dbraw/zinc/46/31/81/504463181.db2.gz JRDRIDSPSYXSFK-DKSSEZFCSA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520312376 504463184 /nfs/dbraw/zinc/46/31/84/504463184.db2.gz JRDRIDSPSYXSFK-DKSSEZFCSA-N 2 1 367.896 3.215 20 0 FGADMP Cc1cc(F)ccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000548488790 504464057 /nfs/dbraw/zinc/46/40/57/504464057.db2.gz FJGHHTOSYTVZEL-HDICACEKSA-N 2 1 364.505 3.224 20 0 FGADMP Cc1cc(F)ccc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000548488790 504464062 /nfs/dbraw/zinc/46/40/62/504464062.db2.gz FJGHHTOSYTVZEL-HDICACEKSA-N 2 1 364.505 3.224 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980385 504493141 /nfs/dbraw/zinc/49/31/41/504493141.db2.gz ITJGGPSNWBSCQX-UMVBOHGHSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980385 504493147 /nfs/dbraw/zinc/49/31/47/504493147.db2.gz ITJGGPSNWBSCQX-UMVBOHGHSA-N 2 1 373.419 3.375 20 0 FGADMP CS[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@H]1[NH+](C)C ZINC000539198937 504496720 /nfs/dbraw/zinc/49/67/20/504496720.db2.gz XSPZIQWUAGHJCJ-CVEARBPZSA-N 2 1 366.328 3.479 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529374 504528412 /nfs/dbraw/zinc/52/84/12/504528412.db2.gz ZVZCVZCRDNJOFS-WAOWUJCRSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529374 504528417 /nfs/dbraw/zinc/52/84/17/504528417.db2.gz ZVZCVZCRDNJOFS-WAOWUJCRSA-N 2 1 355.526 3.425 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529094 504528476 /nfs/dbraw/zinc/52/84/76/504528476.db2.gz NATMRQRHAWBQLM-LSDHHAIUSA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529094 504528478 /nfs/dbraw/zinc/52/84/78/504528478.db2.gz NATMRQRHAWBQLM-LSDHHAIUSA-N 2 1 363.468 3.028 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000520703631 504560370 /nfs/dbraw/zinc/56/03/70/504560370.db2.gz LYTHHCUAXJVSID-FQEVSTJZSA-N 2 1 370.541 3.099 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3cc(F)ccc32)c2cccs2)CC1 ZINC000532187950 504567537 /nfs/dbraw/zinc/56/75/37/504567537.db2.gz OWRQTYYVGCNHKS-RBUKOAKNSA-N 2 1 359.514 3.453 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)C1CCOCC1 ZINC000532193031 504568878 /nfs/dbraw/zinc/56/88/78/504568878.db2.gz HWYYHWBBLHREHE-JOCHJYFZSA-N 2 1 359.558 3.119 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]CC2=Cc3ccccc3OC2)c2cccs2)CC1 ZINC000520931448 504611934 /nfs/dbraw/zinc/61/19/34/504611934.db2.gz FUSGFBRINLIGEZ-IBGZPJMESA-N 2 1 369.534 3.102 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529284151 504619102 /nfs/dbraw/zinc/61/91/02/504619102.db2.gz CROSVSITDKYWBH-YLJYHZDGSA-N 2 1 370.541 3.145 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529290693 504621699 /nfs/dbraw/zinc/62/16/99/504621699.db2.gz VHXZWLIWWGVHLN-YLJYHZDGSA-N 2 1 370.541 3.002 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000542849804 504633357 /nfs/dbraw/zinc/63/33/57/504633357.db2.gz SFHCEMNKNSZSEF-BHDDXSALSA-N 2 1 372.553 3.471 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000521196768 504675764 /nfs/dbraw/zinc/67/57/64/504675764.db2.gz ZINJYRMCRNSJTM-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000521196768 504675769 /nfs/dbraw/zinc/67/57/69/504675769.db2.gz ZINJYRMCRNSJTM-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP CC1CC[NH+](C2CCC(Nc3cc[nH+]c(N4CCCCC4)n3)CC2)CC1 ZINC000546053069 504689945 /nfs/dbraw/zinc/68/99/45/504689945.db2.gz FHNJASJORFOTHA-UHFFFAOYSA-N 2 1 357.546 3.344 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589530 504703567 /nfs/dbraw/zinc/70/35/67/504703567.db2.gz LFVMGXRBVVYADB-HKUYNNGSSA-N 2 1 356.514 3.304 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589530 504703575 /nfs/dbraw/zinc/70/35/75/504703575.db2.gz LFVMGXRBVVYADB-HKUYNNGSSA-N 2 1 356.514 3.304 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822804 504704293 /nfs/dbraw/zinc/70/42/93/504704293.db2.gz MWQYSVMZBDQOFT-CVDCTZTESA-N 2 1 364.537 3.206 20 0 FGADMP CC[NH+](CC)CCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549171666 504710599 /nfs/dbraw/zinc/71/05/99/504710599.db2.gz FAEQUXHPNZUJGW-FUHWJXTLSA-N 2 1 355.885 3.072 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000543079640 504715692 /nfs/dbraw/zinc/71/56/92/504715692.db2.gz LGMFTBYRIKQBBX-HXUWFJFHSA-N 2 1 374.525 3.326 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000543079640 504715697 /nfs/dbraw/zinc/71/56/97/504715697.db2.gz LGMFTBYRIKQBBX-HXUWFJFHSA-N 2 1 374.525 3.326 20 0 FGADMP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543115653 504730951 /nfs/dbraw/zinc/73/09/51/504730951.db2.gz VDSXHTYBMIPNDU-WMZOPIPTSA-N 2 1 351.485 3.216 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2OC)CC1)CC1CC1 ZINC000540049703 504765941 /nfs/dbraw/zinc/76/59/41/504765941.db2.gz QNDKPWZLXKBBGT-UHFFFAOYSA-N 2 1 373.541 3.468 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccccc2OC)CC1)CC1CC1 ZINC000540049703 504765943 /nfs/dbraw/zinc/76/59/43/504765943.db2.gz QNDKPWZLXKBBGT-UHFFFAOYSA-N 2 1 373.541 3.468 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1)CC1CC1 ZINC000540049395 504765981 /nfs/dbraw/zinc/76/59/81/504765981.db2.gz MCZFNGPRYQUACT-INIZCTEOSA-N 2 1 362.518 3.144 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1)CC1CC1 ZINC000540049395 504765984 /nfs/dbraw/zinc/76/59/84/504765984.db2.gz MCZFNGPRYQUACT-INIZCTEOSA-N 2 1 362.518 3.144 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000559091514 504779795 /nfs/dbraw/zinc/77/97/95/504779795.db2.gz QBHSZUVVDXENNS-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091514 504779800 /nfs/dbraw/zinc/77/98/00/504779800.db2.gz QBHSZUVVDXENNS-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091514 504779805 /nfs/dbraw/zinc/77/98/05/504779805.db2.gz QBHSZUVVDXENNS-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP O=C1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CN1C1CC1 ZINC000565095185 504792706 /nfs/dbraw/zinc/79/27/06/504792706.db2.gz QYVIBUFUCUIVFK-ZHHKINOHSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565158075 504810874 /nfs/dbraw/zinc/81/08/74/504810874.db2.gz QMWLDQLAIYPHPS-SJLPKXTDSA-N 2 1 353.510 3.281 20 0 FGADMP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000565158075 504810878 /nfs/dbraw/zinc/81/08/78/504810878.db2.gz QMWLDQLAIYPHPS-SJLPKXTDSA-N 2 1 353.510 3.281 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC000556243332 504827005 /nfs/dbraw/zinc/82/70/05/504827005.db2.gz BOZMGUBCYKWUEV-HZEGPAAWSA-N 2 1 353.514 3.120 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000549766123 504892165 /nfs/dbraw/zinc/89/21/65/504892165.db2.gz GOVUXKHSQJQBEO-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000549766123 504892167 /nfs/dbraw/zinc/89/21/67/504892167.db2.gz GOVUXKHSQJQBEO-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000549766123 504892168 /nfs/dbraw/zinc/89/21/68/504892168.db2.gz GOVUXKHSQJQBEO-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP Nc1nccc([C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000562702841 504913821 /nfs/dbraw/zinc/91/38/21/504913821.db2.gz SLPXKZQOPZKNNE-HXUWFJFHSA-N 2 1 365.525 3.255 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1)C1CC1 ZINC000553434940 504914301 /nfs/dbraw/zinc/91/43/01/504914301.db2.gz XQMNEBYVDZEOLY-LAUBAEHRSA-N 2 1 355.526 3.370 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559741635 504920600 /nfs/dbraw/zinc/92/06/00/504920600.db2.gz NHFPNVGHLRGLCC-SFTDATJTSA-N 2 1 351.494 3.361 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559741635 504920601 /nfs/dbraw/zinc/92/06/01/504920601.db2.gz NHFPNVGHLRGLCC-SFTDATJTSA-N 2 1 351.494 3.361 20 0 FGADMP C[N@H+](C[C@H](O)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000549918925 504933565 /nfs/dbraw/zinc/93/35/65/504933565.db2.gz CKBZJGFYEZUOPP-JOCHJYFZSA-N 2 1 356.485 3.326 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000549918925 504933569 /nfs/dbraw/zinc/93/35/69/504933569.db2.gz CKBZJGFYEZUOPP-JOCHJYFZSA-N 2 1 356.485 3.326 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553510654 504935869 /nfs/dbraw/zinc/93/58/69/504935869.db2.gz GOEZDKJTDYYLDT-YFVAEKQCSA-N 2 1 373.516 3.123 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562839553 504961227 /nfs/dbraw/zinc/96/12/27/504961227.db2.gz QHEMRKRHRNMEQI-PXNSSMCTSA-N 2 1 373.541 3.141 20 0 FGADMP CC(C)[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@H+]1CCc2ccccc2C1 ZINC000550214159 504993898 /nfs/dbraw/zinc/99/38/98/504993898.db2.gz LLJUTPJXBVWTLU-NRFANRHFSA-N 2 1 362.477 3.147 20 0 FGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)n1 ZINC000556858614 504997094 /nfs/dbraw/zinc/99/70/94/504997094.db2.gz NVNFLMGDZKTQHL-BHDDXSALSA-N 2 1 352.526 3.494 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000556887624 505006579 /nfs/dbraw/zinc/00/65/79/505006579.db2.gz ZVLMDFUXYGPCEE-GPJFCIFZSA-N 2 1 357.542 3.419 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000562987177 505010984 /nfs/dbraw/zinc/01/09/84/505010984.db2.gz NKPNKSOHOLMEKV-UXHICEINSA-N 2 1 374.550 3.127 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000562987177 505010986 /nfs/dbraw/zinc/01/09/86/505010986.db2.gz NKPNKSOHOLMEKV-UXHICEINSA-N 2 1 374.550 3.127 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000562989365 505011990 /nfs/dbraw/zinc/01/19/90/505011990.db2.gz IMUKAZIZDWGVPD-PMOQBDJRSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000562989365 505011996 /nfs/dbraw/zinc/01/19/96/505011996.db2.gz IMUKAZIZDWGVPD-PMOQBDJRSA-N 2 1 368.521 3.207 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989909 505012184 /nfs/dbraw/zinc/01/21/84/505012184.db2.gz BMVXWGPTWQJCGV-NQIIRXRSSA-N 2 1 356.510 3.147 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000560184923 505014578 /nfs/dbraw/zinc/01/45/78/505014578.db2.gz LTMSVHZNDDLNOH-UHFFFAOYSA-N 2 1 360.546 3.026 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)CC1 ZINC000560265084 505033355 /nfs/dbraw/zinc/03/33/55/505033355.db2.gz DGCKGDCGJUNROJ-YADHBBJMSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000557072657 505058918 /nfs/dbraw/zinc/05/89/18/505058918.db2.gz WVKFCHPMWUEPKP-MBSDFSHPSA-N 2 1 365.521 3.242 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115948 505069036 /nfs/dbraw/zinc/06/90/36/505069036.db2.gz FDNJOJJXTPVAGD-XMSQKQJNSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063609 505070314 /nfs/dbraw/zinc/07/03/14/505070314.db2.gz DUPKJRPKNOKMBW-GUDVDZBRSA-N 2 1 370.493 3.291 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207188 505076175 /nfs/dbraw/zinc/07/61/75/505076175.db2.gz WBQXWTRAIBMTCE-SIKLNZKXSA-N 2 1 371.569 3.450 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207190 505076419 /nfs/dbraw/zinc/07/64/19/505076419.db2.gz WBQXWTRAIBMTCE-UGKGYDQZSA-N 2 1 371.569 3.450 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)cs1 ZINC000563214802 505077662 /nfs/dbraw/zinc/07/76/62/505077662.db2.gz AGVPQWGTHLUPLX-CGTJXYLNSA-N 2 1 370.522 3.116 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2)cs1 ZINC000563214802 505077666 /nfs/dbraw/zinc/07/76/66/505077666.db2.gz AGVPQWGTHLUPLX-CGTJXYLNSA-N 2 1 370.522 3.116 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000550700346 505085951 /nfs/dbraw/zinc/08/59/51/505085951.db2.gz GASOQRJJKYWSGV-FCHUYYIVSA-N 2 1 371.569 3.447 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CC3CCCC3)CC2)cs1 ZINC000566115283 505086524 /nfs/dbraw/zinc/08/65/24/505086524.db2.gz COJQCYGWSXIJEH-IBGZPJMESA-N 2 1 365.587 3.448 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000560528246 505115510 /nfs/dbraw/zinc/11/55/10/505115510.db2.gz OGWGOBDBGJONRX-KJJMTIBFSA-N 2 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000560528246 505115514 /nfs/dbraw/zinc/11/55/14/505115514.db2.gz OGWGOBDBGJONRX-KJJMTIBFSA-N 3 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000560528246 505115519 /nfs/dbraw/zinc/11/55/19/505115519.db2.gz OGWGOBDBGJONRX-KJJMTIBFSA-N 3 1 359.558 3.158 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000560595125 505137202 /nfs/dbraw/zinc/13/72/02/505137202.db2.gz PDNFZWMMTOXOHB-SFHVURJKSA-N 2 1 365.315 3.302 20 0 FGADMP COC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000554347356 505151518 /nfs/dbraw/zinc/15/15/18/505151518.db2.gz RRYWJSZERCHVOW-RTBURBONSA-N 2 1 359.539 3.014 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000551098997 505157601 /nfs/dbraw/zinc/15/76/01/505157601.db2.gz ZCUMSZJMSZYPKU-HUUCEWRRSA-N 2 1 365.484 3.133 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cc4ccccc4n(C)c3=O)C2)CC1 ZINC000566419074 505170307 /nfs/dbraw/zinc/17/03/07/505170307.db2.gz PEBZNWGKVOPOOO-LJQANCHMSA-N 2 1 367.537 3.482 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cc4ccccc4n(C)c3=O)C2)CC1 ZINC000566419074 505170313 /nfs/dbraw/zinc/17/03/13/505170313.db2.gz PEBZNWGKVOPOOO-LJQANCHMSA-N 2 1 367.537 3.482 20 0 FGADMP CN(C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1Cc2ccccc2C1 ZINC000563612016 505191982 /nfs/dbraw/zinc/19/19/82/505191982.db2.gz JFIPSWJENGBBSO-HSZRJFAPSA-N 2 1 350.506 3.377 20 0 FGADMP CN(C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1Cc2ccccc2C1 ZINC000563612016 505191986 /nfs/dbraw/zinc/19/19/86/505191986.db2.gz JFIPSWJENGBBSO-HSZRJFAPSA-N 2 1 350.506 3.377 20 0 FGADMP CSC1(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC[NH+](C)CC1 ZINC000566532047 505197195 /nfs/dbraw/zinc/19/71/95/505197195.db2.gz KDBIPYOHBAMJNW-UHFFFAOYSA-N 2 1 361.599 3.111 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1n1cccn1 ZINC000551321145 505201072 /nfs/dbraw/zinc/20/10/72/505201072.db2.gz ZDYCXPUCJIMATB-KQLYMOGASA-N 2 1 365.481 3.447 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597632 505217140 /nfs/dbraw/zinc/21/71/40/505217140.db2.gz OCPVNYADEVEGSK-QRVBRYPASA-N 2 1 357.542 3.123 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597632 505217142 /nfs/dbraw/zinc/21/71/42/505217142.db2.gz OCPVNYADEVEGSK-QRVBRYPASA-N 2 1 357.542 3.123 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597632 505217145 /nfs/dbraw/zinc/21/71/45/505217145.db2.gz OCPVNYADEVEGSK-QRVBRYPASA-N 2 1 357.542 3.123 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000554609467 505221267 /nfs/dbraw/zinc/22/12/67/505221267.db2.gz AAWHRYUEAHFLNT-PKOBYXMFSA-N 2 1 360.546 3.194 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccccc3C)CC2)CC1 ZINC000561067669 505242610 /nfs/dbraw/zinc/24/26/10/505242610.db2.gz LVKFOSGLQMHZPC-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082140 505246034 /nfs/dbraw/zinc/24/60/34/505246034.db2.gz JGESVIVCBZLCCS-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082140 505246039 /nfs/dbraw/zinc/24/60/39/505246039.db2.gz JGESVIVCBZLCCS-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000561082140 505246043 /nfs/dbraw/zinc/24/60/43/505246043.db2.gz JGESVIVCBZLCCS-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551536426 505246553 /nfs/dbraw/zinc/24/65/53/505246553.db2.gz NKZKQJVZPOXHLU-ZDUSSCGKSA-N 2 1 364.383 3.051 20 0 FGADMP Cc1ccsc1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554868234 505285235 /nfs/dbraw/zinc/28/52/35/505285235.db2.gz GFTMQXOUNRDGKD-FQEVSTJZSA-N 2 1 355.551 3.449 20 0 FGADMP Cc1ccsc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554868234 505285238 /nfs/dbraw/zinc/28/52/38/505285238.db2.gz GFTMQXOUNRDGKD-FQEVSTJZSA-N 2 1 355.551 3.449 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000566907737 505308074 /nfs/dbraw/zinc/30/80/74/505308074.db2.gz MMZRKWFWFZHOKK-HNNXBMFYSA-N 2 1 351.922 3.263 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000566907737 505308075 /nfs/dbraw/zinc/30/80/75/505308075.db2.gz MMZRKWFWFZHOKK-HNNXBMFYSA-N 2 1 351.922 3.263 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000551804382 505311870 /nfs/dbraw/zinc/31/18/70/505311870.db2.gz WEWNXYTUONRWBD-UHFFFAOYSA-N 2 1 362.562 3.345 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000551806644 505314178 /nfs/dbraw/zinc/31/41/78/505314178.db2.gz UWIKGVQIAUQORM-GMAHTHKFSA-N 2 1 367.537 3.205 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000551988425 505364258 /nfs/dbraw/zinc/36/42/58/505364258.db2.gz ZUFGOHXYSVEQMN-YJBOKZPZSA-N 2 1 368.481 3.152 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000558380420 505371724 /nfs/dbraw/zinc/37/17/24/505371724.db2.gz QELISQYWVSDDEB-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380420 505371725 /nfs/dbraw/zinc/37/17/25/505371725.db2.gz QELISQYWVSDDEB-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380420 505371726 /nfs/dbraw/zinc/37/17/26/505371726.db2.gz QELISQYWVSDDEB-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP CC[C@@H]1C[C@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147731 505377079 /nfs/dbraw/zinc/37/70/79/505377079.db2.gz YPMGXXYPLAVZOH-XPWALMASSA-N 2 1 371.569 3.084 20 0 FGADMP Cc1sccc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000552042389 505379327 /nfs/dbraw/zinc/37/93/27/505379327.db2.gz CHFAJNJFSBWFNQ-HZPDHXFCSA-N 2 1 352.544 3.147 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284057 505417900 /nfs/dbraw/zinc/41/79/00/505417900.db2.gz AMBHTAZMRQERCA-RTWAWAEBSA-N 2 1 351.494 3.118 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284057 505417905 /nfs/dbraw/zinc/41/79/05/505417905.db2.gz AMBHTAZMRQERCA-RTWAWAEBSA-N 2 1 351.494 3.118 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000558581668 505430218 /nfs/dbraw/zinc/43/02/18/505430218.db2.gz OHJREPCJZYBDCX-QGZVFWFLSA-N 2 1 363.571 3.086 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249555 505440711 /nfs/dbraw/zinc/44/07/11/505440711.db2.gz CUPHALHMGJHWDR-VNXZQDSDSA-N 3 1 373.585 3.112 20 0 FGADMP CC1CCN(C[C@@H](O)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249555 505440712 /nfs/dbraw/zinc/44/07/12/505440712.db2.gz CUPHALHMGJHWDR-VNXZQDSDSA-N 2 1 373.585 3.112 20 0 FGADMP CC1CCN(C[C@@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249555 505440715 /nfs/dbraw/zinc/44/07/15/505440715.db2.gz CUPHALHMGJHWDR-VNXZQDSDSA-N 2 1 373.585 3.112 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000564658525 505485061 /nfs/dbraw/zinc/48/50/61/505485061.db2.gz JXAVKHOGUGWQMP-RXVVDRJESA-N 2 1 357.542 3.230 20 0 FGADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000555712737 505497222 /nfs/dbraw/zinc/49/72/22/505497222.db2.gz WTFWFRHWIZGBRV-LEWJYISDSA-N 2 1 369.553 3.409 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000562138648 505526411 /nfs/dbraw/zinc/52/64/11/505526411.db2.gz FFWMZPJBPZWXKP-NSHGMRRFSA-N 2 1 360.546 3.016 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2nc3cc(C(=O)OCC)ccc3n2CC)CC1 ZINC000564989279 505565883 /nfs/dbraw/zinc/56/58/83/505565883.db2.gz GZFLZCXFMGOQBV-UHFFFAOYSA-N 2 1 372.513 3.054 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]21 ZINC000567871987 505569580 /nfs/dbraw/zinc/56/95/80/505569580.db2.gz NAQLAJPNIXKZNO-VNQPRFMTSA-N 2 1 357.479 3.098 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]21 ZINC000567871987 505569581 /nfs/dbraw/zinc/56/95/81/505569581.db2.gz NAQLAJPNIXKZNO-VNQPRFMTSA-N 2 1 357.479 3.098 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567896713 505570402 /nfs/dbraw/zinc/57/04/02/505570402.db2.gz KGXVBUUSFXBVKV-YJBOKZPZSA-N 2 1 350.532 3.365 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000582774534 506413338 /nfs/dbraw/zinc/41/33/38/506413338.db2.gz OZVCTWYBVUYQJA-LVCYWYKZSA-N 2 1 372.557 3.106 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000612193088 506476974 /nfs/dbraw/zinc/47/69/74/506476974.db2.gz RAFROJMANHIRRH-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630953 506539815 /nfs/dbraw/zinc/53/98/15/506539815.db2.gz LEUZGKVCZBGPEB-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000599630953 506539820 /nfs/dbraw/zinc/53/98/20/506539820.db2.gz LEUZGKVCZBGPEB-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000599630953 506539825 /nfs/dbraw/zinc/53/98/25/506539825.db2.gz LEUZGKVCZBGPEB-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107052 506715659 /nfs/dbraw/zinc/71/56/59/506715659.db2.gz YQHKZYVYPMVJTC-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604107052 506715667 /nfs/dbraw/zinc/71/56/67/506715667.db2.gz YQHKZYVYPMVJTC-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604107052 506715673 /nfs/dbraw/zinc/71/56/73/506715673.db2.gz YQHKZYVYPMVJTC-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000597247469 506857890 /nfs/dbraw/zinc/85/78/90/506857890.db2.gz LRGIEGUFJHKMIT-SQBLYHGDSA-N 2 1 374.500 3.010 20 0 FGADMP Cc1cccn2cc(CNC(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)nc12 ZINC000600230143 506861325 /nfs/dbraw/zinc/86/13/25/506861325.db2.gz XQSIOQQKWYCMDA-IBGZPJMESA-N 2 1 362.477 3.171 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000597257746 506866498 /nfs/dbraw/zinc/86/64/98/506866498.db2.gz UZDNBAIAHIORER-INIZCTEOSA-N 2 1 350.890 3.338 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000597257746 506866503 /nfs/dbraw/zinc/86/65/03/506866503.db2.gz UZDNBAIAHIORER-INIZCTEOSA-N 2 1 350.890 3.338 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000583597298 506868299 /nfs/dbraw/zinc/86/82/99/506868299.db2.gz CZAZMNLXPKUFPG-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000583597298 506868307 /nfs/dbraw/zinc/86/83/07/506868307.db2.gz CZAZMNLXPKUFPG-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000583597298 506868309 /nfs/dbraw/zinc/86/83/09/506868309.db2.gz CZAZMNLXPKUFPG-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000583657186 506898522 /nfs/dbraw/zinc/89/85/22/506898522.db2.gz CMJKPKNSCZOAJS-FQEVSTJZSA-N 2 1 354.542 3.469 20 0 FGADMP CC(C)C[C@@H](C)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000583779775 506968226 /nfs/dbraw/zinc/96/82/26/506968226.db2.gz JSFALEIUUXWONN-GOSISDBHSA-N 2 1 361.530 3.119 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831746 506998925 /nfs/dbraw/zinc/99/89/25/506998925.db2.gz CFMRAVQMOUYEJY-UGKGYDQZSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000583831746 506998926 /nfs/dbraw/zinc/99/89/26/506998926.db2.gz CFMRAVQMOUYEJY-UGKGYDQZSA-N 2 1 365.521 3.368 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[NH+]3C[C@H]2C)cc1)C1CC1 ZINC000604967545 507008529 /nfs/dbraw/zinc/00/85/29/507008529.db2.gz DGAHAPCJBCGDDO-UTKZUKDTSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)cc1)C1CC1 ZINC000604967545 507008531 /nfs/dbraw/zinc/00/85/31/507008531.db2.gz DGAHAPCJBCGDDO-UTKZUKDTSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)cc1)C1CC1 ZINC000604967545 507008533 /nfs/dbraw/zinc/00/85/33/507008533.db2.gz DGAHAPCJBCGDDO-UTKZUKDTSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000600633852 507040867 /nfs/dbraw/zinc/04/08/67/507040867.db2.gz WKJFMKCVJCHYOA-LJQANCHMSA-N 2 1 363.933 3.499 20 0 FGADMP Cn1c[nH+]cc1CCCN1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000583942947 507062529 /nfs/dbraw/zinc/06/25/29/507062529.db2.gz SRACWUSJXHCMKO-QGZVFWFLSA-N 2 1 369.387 3.325 20 0 FGADMP O=C(NCc1ccccc1Cn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583942606 507062826 /nfs/dbraw/zinc/06/28/26/507062826.db2.gz JMBAOKVPSANBFC-JOCHJYFZSA-N 2 1 374.488 3.070 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000594296376 507069370 /nfs/dbraw/zinc/06/93/70/507069370.db2.gz RVMFUDQOEKFBNZ-KSZLIROESA-N 2 1 364.534 3.225 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095057 507111788 /nfs/dbraw/zinc/11/17/88/507111788.db2.gz UPIWBJZPLVPWJN-SFTDATJTSA-N 2 1 373.541 3.213 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128386 507125313 /nfs/dbraw/zinc/12/53/13/507125313.db2.gz ZTQRDCKARWVNSM-RTWAWAEBSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000591128386 507125319 /nfs/dbraw/zinc/12/53/19/507125319.db2.gz ZTQRDCKARWVNSM-RTWAWAEBSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000591128386 507125325 /nfs/dbraw/zinc/12/53/25/507125325.db2.gz ZTQRDCKARWVNSM-RTWAWAEBSA-N 2 1 357.542 3.060 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128387 507125771 /nfs/dbraw/zinc/12/57/71/507125771.db2.gz ZTQRDCKARWVNSM-SFTDATJTSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000591128387 507125778 /nfs/dbraw/zinc/12/57/78/507125778.db2.gz ZTQRDCKARWVNSM-SFTDATJTSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000591128387 507125787 /nfs/dbraw/zinc/12/57/87/507125787.db2.gz ZTQRDCKARWVNSM-SFTDATJTSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404505 507180393 /nfs/dbraw/zinc/18/03/93/507180393.db2.gz MHSZARCCBZKAER-IAGOWNOFSA-N 2 1 352.482 3.097 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000600960426 507208307 /nfs/dbraw/zinc/20/83/07/507208307.db2.gz XKZZKOYKOWXCEM-VWNVYAMZSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000600960426 507208317 /nfs/dbraw/zinc/20/83/17/507208317.db2.gz XKZZKOYKOWXCEM-VWNVYAMZSA-N 2 1 369.553 3.297 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCC1 ZINC000591410582 507239137 /nfs/dbraw/zinc/23/91/37/507239137.db2.gz RUBIAADLJWUKFZ-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCC1 ZINC000591410582 507239140 /nfs/dbraw/zinc/23/91/40/507239140.db2.gz RUBIAADLJWUKFZ-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000591410582 507239148 /nfs/dbraw/zinc/23/91/48/507239148.db2.gz RUBIAADLJWUKFZ-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555149 507289480 /nfs/dbraw/zinc/28/94/80/507289480.db2.gz RXKOEZVGSRQKLQ-ROUUACIJSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)[N@H+](C)C1CC1 ZINC000591555149 507289485 /nfs/dbraw/zinc/28/94/85/507289485.db2.gz RXKOEZVGSRQKLQ-ROUUACIJSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)[N@@H+](C)C1CC1 ZINC000591555149 507289490 /nfs/dbraw/zinc/28/94/90/507289490.db2.gz RXKOEZVGSRQKLQ-ROUUACIJSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024501 507358717 /nfs/dbraw/zinc/35/87/17/507358717.db2.gz GSFJYYXXUBXYRX-WPGHFRTFSA-N 2 1 370.278 3.351 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024501 507358719 /nfs/dbraw/zinc/35/87/19/507358719.db2.gz GSFJYYXXUBXYRX-WPGHFRTFSA-N 2 1 370.278 3.351 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)cc1 ZINC000606627603 507458343 /nfs/dbraw/zinc/45/83/43/507458343.db2.gz SCKYDKOKOXOPCH-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000586756133 507660436 /nfs/dbraw/zinc/66/04/36/507660436.db2.gz CADLQFNUWSLPFT-YOUFYPILSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756133 507660442 /nfs/dbraw/zinc/66/04/42/507660442.db2.gz CADLQFNUWSLPFT-YOUFYPILSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756133 507660448 /nfs/dbraw/zinc/66/04/48/507660448.db2.gz CADLQFNUWSLPFT-YOUFYPILSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490841 507678537 /nfs/dbraw/zinc/67/85/37/507678537.db2.gz PBEWEQQNXBGNKD-UYAOXDASSA-N 2 1 364.578 3.059 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000669125147 568086064 /nfs/dbraw/zinc/08/60/64/568086064.db2.gz OSIGYYJIDVMQRW-OPYAIIAOSA-N 2 1 372.557 3.187 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000104155284 700492254 /nfs/dbraw/zinc/49/22/54/700492254.db2.gz AGQASULDECPECJ-MRXNPFEDSA-N 2 1 360.889 3.248 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173879981 705474857 /nfs/dbraw/zinc/47/48/57/705474857.db2.gz PSIPWNTZXKJQTR-MSOLQXFVSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180427849 705739121 /nfs/dbraw/zinc/73/91/21/705739121.db2.gz LUGWQNWRLXFRHT-OOHWJJMZSA-N 2 1 350.507 3.253 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000246025559 713615695 /nfs/dbraw/zinc/61/56/95/713615695.db2.gz VKWQSULGWNEMGD-JZXOWHBKSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000305892731 713794177 /nfs/dbraw/zinc/79/41/77/713794177.db2.gz LJBAZHTVJXLLAH-OOKSDGMUSA-N 2 1 353.551 3.388 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000310511937 713799201 /nfs/dbraw/zinc/79/92/01/713799201.db2.gz ORAYKFBZLVKXOG-OWSLCNJRSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310511937 713799205 /nfs/dbraw/zinc/79/92/05/713799205.db2.gz ORAYKFBZLVKXOG-OWSLCNJRSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000310511939 713799299 /nfs/dbraw/zinc/79/92/99/713799299.db2.gz ORAYKFBZLVKXOG-VSZNYVQBSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310511939 713799301 /nfs/dbraw/zinc/79/93/01/713799301.db2.gz ORAYKFBZLVKXOG-VSZNYVQBSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641802652 717930902 /nfs/dbraw/zinc/93/09/02/717930902.db2.gz AIHXFXDFYDMBDH-AQUOVQTQSA-N 2 1 363.811 3.401 20 0 FGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309059 713912539 /nfs/dbraw/zinc/91/25/39/713912539.db2.gz HZEASHHQVXRWLF-KXBFYZLASA-N 2 1 358.917 3.350 20 0 FGADMP CO[C@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374917225 713953695 /nfs/dbraw/zinc/95/36/95/713953695.db2.gz RDDOSCTYGRCZFJ-OXQOHEQNSA-N 2 1 365.949 3.128 20 0 FGADMP CO[C@@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000374917226 713953719 /nfs/dbraw/zinc/95/37/19/713953719.db2.gz RDDOSCTYGRCZFJ-UZLBHIALSA-N 2 1 365.949 3.128 20 0 FGADMP C[C@H](O)[C@H]1C[C@H](C)CC[NH+]1CCCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322458 714031599 /nfs/dbraw/zinc/03/15/99/714031599.db2.gz UDXNKFINGNUEOR-NXMWLWCLSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CCCCC[N@@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000443322458 714031601 /nfs/dbraw/zinc/03/16/01/714031601.db2.gz UDXNKFINGNUEOR-NXMWLWCLSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CCCCC[N@H+]1CC[C@@H](C)C[C@@H]1[C@H](C)O ZINC000443322458 714031603 /nfs/dbraw/zinc/03/16/03/714031603.db2.gz UDXNKFINGNUEOR-NXMWLWCLSA-N 2 1 354.579 3.119 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H](OC)C34CCC4)CC2)cs1 ZINC000453110066 714057184 /nfs/dbraw/zinc/05/71/84/714057184.db2.gz NQSXVTJXQBFTBA-ROUUACIJSA-N 2 1 363.571 3.465 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868707 714153061 /nfs/dbraw/zinc/15/30/61/714153061.db2.gz KYUSMDOLOIZUML-CGXNFDGLSA-N 2 1 350.547 3.159 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000522132827 714171633 /nfs/dbraw/zinc/17/16/33/714171633.db2.gz SRXWCFKYXMGQQZ-LSDHHAIUSA-N 2 1 367.563 3.227 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000522430528 714188173 /nfs/dbraw/zinc/18/81/73/714188173.db2.gz BXUCSWWKNQNUKL-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000522430528 714188176 /nfs/dbraw/zinc/18/81/76/714188176.db2.gz BXUCSWWKNQNUKL-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000522430528 714188179 /nfs/dbraw/zinc/18/81/79/714188179.db2.gz BXUCSWWKNQNUKL-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000523005305 714216305 /nfs/dbraw/zinc/21/63/05/714216305.db2.gz PJEUUHARGYLOCP-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(C)(C)C ZINC000523518760 714238665 /nfs/dbraw/zinc/23/86/65/714238665.db2.gz QGLCGKWYPDYAIB-SJORKVTESA-N 2 1 351.922 3.401 20 0 FGADMP C[C@H]1CC[N@H+](CC(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)C1 ZINC000617865875 714698217 /nfs/dbraw/zinc/69/82/17/714698217.db2.gz UNSMQJQJHYQZEH-ZDUSSCGKSA-N 2 1 358.511 3.171 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)C1 ZINC000617865875 714698220 /nfs/dbraw/zinc/69/82/20/714698220.db2.gz UNSMQJQJHYQZEH-ZDUSSCGKSA-N 2 1 358.511 3.171 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)C1 ZINC000617865875 714698221 /nfs/dbraw/zinc/69/82/21/714698221.db2.gz UNSMQJQJHYQZEH-ZDUSSCGKSA-N 2 1 358.511 3.171 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)C1 ZINC000617865875 714698224 /nfs/dbraw/zinc/69/82/24/714698224.db2.gz UNSMQJQJHYQZEH-ZDUSSCGKSA-N 2 1 358.511 3.171 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(F)cc2F)c2cccs2)CC1 ZINC000620437059 714916260 /nfs/dbraw/zinc/91/62/60/714916260.db2.gz ZUWKXTRXDVDQNE-QGZVFWFLSA-N 2 1 351.466 3.105 20 0 FGADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000623428988 715334485 /nfs/dbraw/zinc/33/44/85/715334485.db2.gz HRHAOSQKBFTSRM-HXUWFJFHSA-N 2 1 360.885 3.075 20 0 FGADMP COc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000623428988 715334488 /nfs/dbraw/zinc/33/44/88/715334488.db2.gz HRHAOSQKBFTSRM-HXUWFJFHSA-N 2 1 360.885 3.075 20 0 FGADMP COc1cc(OC)c(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538598 715356814 /nfs/dbraw/zinc/35/68/14/715356814.db2.gz LDHCCTDVGSACGX-CABCVRRESA-N 2 1 350.503 3.106 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557208 715361172 /nfs/dbraw/zinc/36/11/72/715361172.db2.gz OEQGWLGZKSKJCY-HOCLYGCPSA-N 2 1 360.420 3.471 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557208 715361175 /nfs/dbraw/zinc/36/11/75/715361175.db2.gz OEQGWLGZKSKJCY-HOCLYGCPSA-N 2 1 360.420 3.471 20 0 FGADMP Cc1csc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000623861469 715417378 /nfs/dbraw/zinc/41/73/78/715417378.db2.gz YYEVPUSFKJSPSK-MJGOQNOKSA-N 2 1 358.555 3.481 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625318673 715704593 /nfs/dbraw/zinc/70/45/93/715704593.db2.gz JHWLBLSHEFTYOF-HUUCEWRRSA-N 2 1 363.468 3.030 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000625318673 715704596 /nfs/dbraw/zinc/70/45/96/715704596.db2.gz JHWLBLSHEFTYOF-HUUCEWRRSA-N 2 1 363.468 3.030 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724415997 /nfs/dbraw/zinc/41/59/97/724415997.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724416000 /nfs/dbraw/zinc/41/60/00/724416000.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477312 724416002 /nfs/dbraw/zinc/41/60/02/724416002.db2.gz AREXPXWVGPWAAJ-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654779 715767621 /nfs/dbraw/zinc/76/76/21/715767621.db2.gz QUKODWIPQUXHOZ-GEEKYZPCSA-N 2 1 368.459 3.449 20 0 FGADMP C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000626597667 715934563 /nfs/dbraw/zinc/93/45/63/715934563.db2.gz DHTCXHIFFTVCIG-QGZVFWFLSA-N 2 1 362.543 3.090 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191008 716123237 /nfs/dbraw/zinc/12/32/37/716123237.db2.gz XFTQCDZQJKQZCK-SQNIBIBYSA-N 2 1 356.432 3.431 20 0 FGADMP COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000629525247 716303347 /nfs/dbraw/zinc/30/33/47/716303347.db2.gz ZFEHBSYXZUTSIH-ARFHVFGLSA-N 2 1 368.319 3.253 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656988 716331568 /nfs/dbraw/zinc/33/15/68/716331568.db2.gz SHRBVCPSBMNYKD-GDBMZVCRSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656988 716331573 /nfs/dbraw/zinc/33/15/73/716331573.db2.gz SHRBVCPSBMNYKD-GDBMZVCRSA-N 2 1 352.404 3.344 20 0 FGADMP C[N@@H+](CCOCC[NH3+])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000629663300 716332908 /nfs/dbraw/zinc/33/29/08/716332908.db2.gz IEWOQMWAHWVDHT-UHFFFAOYSA-N 2 1 364.921 3.230 20 0 FGADMP CSc1ccc([C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000635969473 717217288 /nfs/dbraw/zinc/21/72/88/717217288.db2.gz FZAVNXSFYBHDAQ-KRWDZBQOSA-N 2 1 360.527 3.148 20 0 FGADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)C34CCC[NH+](CCC3)C4)sc2C1 ZINC000636057186 717227099 /nfs/dbraw/zinc/22/70/99/717227099.db2.gz JQDLMWDLBJRSPK-UHFFFAOYSA-N 2 1 362.543 3.114 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295907 717431253 /nfs/dbraw/zinc/43/12/53/717431253.db2.gz YMFSDIGBBMWGLR-MJGOQNOKSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295907 717431257 /nfs/dbraw/zinc/43/12/57/717431257.db2.gz YMFSDIGBBMWGLR-MJGOQNOKSA-N 2 1 367.896 3.119 20 0 FGADMP CCOC1CC(C[NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)C1 ZINC000638624130 717471130 /nfs/dbraw/zinc/47/11/30/717471130.db2.gz WMQQRAQEUCAJST-UHFFFAOYSA-N 2 1 351.560 3.322 20 0 FGADMP Cc1sc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)c1C ZINC000639683017 717589718 /nfs/dbraw/zinc/58/97/18/717589718.db2.gz RBUOTGWEAAAIMG-UHFFFAOYSA-N 2 1 358.511 3.219 20 0 FGADMP Cc1sc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)c1C ZINC000639683017 717589720 /nfs/dbraw/zinc/58/97/20/717589720.db2.gz RBUOTGWEAAAIMG-UHFFFAOYSA-N 2 1 358.511 3.219 20 0 FGADMP Cc1sc2nc([C@H](C)[N@H+]3CCC4(C3)CC[NH+](C)CC4)nc(N)c2c1C ZINC000639758854 717599307 /nfs/dbraw/zinc/59/93/07/717599307.db2.gz XHLHBHKONGVWCZ-ZDUSSCGKSA-N 2 1 359.543 3.369 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644669099 718140080 /nfs/dbraw/zinc/14/00/80/718140080.db2.gz DEMNAMJQDAKEFY-AWEZNQCLSA-N 2 1 368.319 3.099 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000645808378 718243172 /nfs/dbraw/zinc/24/31/72/718243172.db2.gz MNVPEIFVECKNLA-NVXWUHKLSA-N 2 1 351.560 3.101 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646294983 718276124 /nfs/dbraw/zinc/27/61/24/718276124.db2.gz GLMYOLBPHDCWJT-MZTNWIODSA-N 2 1 367.896 3.117 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646294983 718276125 /nfs/dbraw/zinc/27/61/25/718276125.db2.gz GLMYOLBPHDCWJT-MZTNWIODSA-N 2 1 367.896 3.117 20 0 FGADMP COc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482428 718363778 /nfs/dbraw/zinc/36/37/78/718363778.db2.gz DYTSUAQELHEIHR-UHFFFAOYSA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000647482428 718363784 /nfs/dbraw/zinc/36/37/84/718363784.db2.gz DYTSUAQELHEIHR-UHFFFAOYSA-N 2 1 358.404 3.353 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975399 718390892 /nfs/dbraw/zinc/39/08/92/718390892.db2.gz ZVQDNPSEZJQEIL-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977186 718391457 /nfs/dbraw/zinc/39/14/57/718391457.db2.gz YYASMCWWABRDNH-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977186 718391458 /nfs/dbraw/zinc/39/14/58/718391458.db2.gz YYASMCWWABRDNH-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975972 718391460 /nfs/dbraw/zinc/39/14/60/718391460.db2.gz IHRCCDNWSIBMBO-ULQDDVLXSA-N 2 1 361.555 3.447 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000647986549 718392614 /nfs/dbraw/zinc/39/26/14/718392614.db2.gz GBBIYXBXJNEHJY-STQMWFEESA-N 2 1 364.852 3.351 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000647986549 718392617 /nfs/dbraw/zinc/39/26/17/718392617.db2.gz GBBIYXBXJNEHJY-STQMWFEESA-N 2 1 364.852 3.351 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000647986548 718392737 /nfs/dbraw/zinc/39/27/37/718392737.db2.gz GBBIYXBXJNEHJY-QWHCGFSZSA-N 2 1 364.852 3.351 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)no1 ZINC000647986548 718392739 /nfs/dbraw/zinc/39/27/39/718392739.db2.gz GBBIYXBXJNEHJY-QWHCGFSZSA-N 2 1 364.852 3.351 20 0 FGADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc(C)c1OC(F)F ZINC000648071441 718397773 /nfs/dbraw/zinc/39/77/73/718397773.db2.gz BXIBKYZHPGOMOP-UHFFFAOYSA-N 2 1 354.441 3.201 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@@H](CC)C3)CC2)cs1 ZINC000648454632 718428381 /nfs/dbraw/zinc/42/83/81/718428381.db2.gz MXWWCXSKFSTIKI-WMZOPIPTSA-N 2 1 351.560 3.465 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCO[C@H](CC)C3)CC2)cs1 ZINC000648454630 718428447 /nfs/dbraw/zinc/42/84/47/718428447.db2.gz MXWWCXSKFSTIKI-FUHWJXTLSA-N 2 1 351.560 3.465 20 0 FGADMP C[C@@H]1COCCCN1Cc1cc(C[N@H+]2CCCOC[C@H]2C)ccc1F ZINC000649391551 718510784 /nfs/dbraw/zinc/51/07/84/718510784.db2.gz QOJUTXDCFQXQCR-IAGOWNOFSA-N 2 1 350.478 3.047 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707482 718717755 /nfs/dbraw/zinc/71/77/55/718717755.db2.gz HAXHHTZNFKRYCA-GRDNDAEWSA-N 2 1 361.511 3.023 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000650709553 718718259 /nfs/dbraw/zinc/71/82/59/718718259.db2.gz FICLAGLPQZHRQI-YOEHRIQHSA-N 2 1 358.404 3.197 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722880 718720665 /nfs/dbraw/zinc/72/06/65/718720665.db2.gz CUGXTVYAIBLHKK-COXVUDFISA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722880 718720667 /nfs/dbraw/zinc/72/06/67/718720667.db2.gz CUGXTVYAIBLHKK-COXVUDFISA-N 2 1 371.294 3.449 20 0 FGADMP CC[N@H+](CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000651909558 718888571 /nfs/dbraw/zinc/88/85/71/718888571.db2.gz OMJSWUNQCIDGFO-UHFFFAOYSA-N 2 1 352.544 3.224 20 0 FGADMP CC[N@@H+](CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1)C1CCCCC1 ZINC000651909558 718888575 /nfs/dbraw/zinc/88/85/75/718888575.db2.gz OMJSWUNQCIDGFO-UHFFFAOYSA-N 2 1 352.544 3.224 20 0 FGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652350382 718935236 /nfs/dbraw/zinc/93/52/36/718935236.db2.gz WJFFIPBUXLUOPV-JZXOWHBKSA-N 2 1 367.331 3.476 20 0 FGADMP CC(C)CCc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348663 718935384 /nfs/dbraw/zinc/93/53/84/718935384.db2.gz MKSJWOTYARXLEQ-LZLYRXPVSA-N 2 1 351.560 3.450 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154590 719018598 /nfs/dbraw/zinc/01/85/98/719018598.db2.gz VWTCPNKZKAUUCA-ZHCSWWCTSA-N 2 1 367.896 3.248 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154590 719018600 /nfs/dbraw/zinc/01/86/00/719018600.db2.gz VWTCPNKZKAUUCA-ZHCSWWCTSA-N 2 1 367.896 3.248 20 0 FGADMP C[NH+](C)Cc1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623349 719105281 /nfs/dbraw/zinc/10/52/81/719105281.db2.gz CNFQIXFCXCZVFK-RTWAWAEBSA-N 2 1 350.510 3.244 20 0 FGADMP Clc1cccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1Cl ZINC000655699798 719326603 /nfs/dbraw/zinc/32/66/03/719326603.db2.gz BEXYQRCALSWSGG-AWEZNQCLSA-N 2 1 359.297 3.215 20 0 FGADMP Brc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655700550 719327249 /nfs/dbraw/zinc/32/72/49/719327249.db2.gz MMTQEZWAXXPQPS-AWEZNQCLSA-N 2 1 373.360 3.286 20 0 FGADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655733975 719331730 /nfs/dbraw/zinc/33/17/30/719331730.db2.gz WHIDSAVVVGNCQS-APWZRJJASA-N 2 1 352.906 3.261 20 0 FGADMP Clc1ccc(COCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655736642 719332023 /nfs/dbraw/zinc/33/20/23/719332023.db2.gz GOSPVJVTXZVJAR-IBGZPJMESA-N 2 1 352.906 3.090 20 0 FGADMP CC[N@@H+](CCCNC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655792740 719340039 /nfs/dbraw/zinc/34/00/39/719340039.db2.gz OFKLYDMECVQVSX-NRFANRHFSA-N 2 1 351.579 3.264 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164681111 719622865 /nfs/dbraw/zinc/62/28/65/719622865.db2.gz ATNVEYZVQPIPJR-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3ccc(F)cc32)c2c1CC[NH2+]C2 ZINC001164681111 719622872 /nfs/dbraw/zinc/62/28/72/719622872.db2.gz ATNVEYZVQPIPJR-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657349082 719631374 /nfs/dbraw/zinc/63/13/74/719631374.db2.gz ADFPLCKDEBSGKZ-GOSISDBHSA-N 2 1 357.523 3.092 20 0 FGADMP C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000781898477 724608690 /nfs/dbraw/zinc/60/86/90/724608690.db2.gz LXVQKKDZUQDCHC-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000781898477 724608693 /nfs/dbraw/zinc/60/86/93/724608693.db2.gz LXVQKKDZUQDCHC-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657753677 719705229 /nfs/dbraw/zinc/70/52/29/719705229.db2.gz YLBWUIGLSQAQMJ-LJQANCHMSA-N 2 1 357.523 3.461 20 0 FGADMP Clc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658069632 719751016 /nfs/dbraw/zinc/75/10/16/719751016.db2.gz PNXQKAAFPRPMLT-SJLPKXTDSA-N 2 1 363.933 3.009 20 0 FGADMP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978936 719967359 /nfs/dbraw/zinc/96/73/59/719967359.db2.gz IIOFKPKCVOELOP-MOPGFXCFSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@H]1OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978936 719967362 /nfs/dbraw/zinc/96/73/62/719967362.db2.gz IIOFKPKCVOELOP-MOPGFXCFSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@H]1OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659978936 719967363 /nfs/dbraw/zinc/96/73/63/719967363.db2.gz IIOFKPKCVOELOP-MOPGFXCFSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@H]1OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659978936 719967366 /nfs/dbraw/zinc/96/73/66/719967366.db2.gz IIOFKPKCVOELOP-MOPGFXCFSA-N 2 1 350.453 3.399 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000660654050 720090514 /nfs/dbraw/zinc/09/05/14/720090514.db2.gz CFOYBPKXVVDGCB-GOSISDBHSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000660654050 720090522 /nfs/dbraw/zinc/09/05/22/720090522.db2.gz CFOYBPKXVVDGCB-GOSISDBHSA-N 2 1 353.869 3.225 20 0 FGADMP COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164711603 720093099 /nfs/dbraw/zinc/09/30/99/720093099.db2.gz RNWJZRFHOMZUKJ-FQEVSTJZSA-N 2 1 366.509 3.293 20 0 FGADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164711603 720093103 /nfs/dbraw/zinc/09/31/03/720093103.db2.gz RNWJZRFHOMZUKJ-FQEVSTJZSA-N 2 1 366.509 3.293 20 0 FGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815406 720126489 /nfs/dbraw/zinc/12/64/89/720126489.db2.gz VJBLTGPAHCKLAL-LAUBAEHRSA-N 2 1 354.498 3.056 20 0 FGADMP Brc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258510 720405748 /nfs/dbraw/zinc/40/57/48/720405748.db2.gz JFULEXXAETWTPD-CJNGLKHVSA-N 2 1 351.288 3.107 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295210 720411596 /nfs/dbraw/zinc/41/15/96/720411596.db2.gz FYTHBKYEAUEELA-QFBILLFUSA-N 2 1 361.917 3.157 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297845 720411880 /nfs/dbraw/zinc/41/18/80/720411880.db2.gz SKMOOHUSCAVTJH-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297845 720411884 /nfs/dbraw/zinc/41/18/84/720411884.db2.gz SKMOOHUSCAVTJH-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCCSc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312820 720414068 /nfs/dbraw/zinc/41/40/68/720414068.db2.gz FRTWHVLYXGVUJE-IEBWSBKVSA-N 2 1 363.571 3.124 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(F)cc1Cl ZINC000664172310 720604146 /nfs/dbraw/zinc/60/41/46/720604146.db2.gz GECQMMVTNZNHDB-UONOGXRCSA-N 2 1 372.916 3.111 20 0 FGADMP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(N)c1 ZINC001164841719 720704823 /nfs/dbraw/zinc/70/48/23/720704823.db2.gz WFPKARFIPWTWTF-IBGZPJMESA-N 2 1 366.509 3.232 20 0 FGADMP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c(N)c1 ZINC001164841721 720704961 /nfs/dbraw/zinc/70/49/61/720704961.db2.gz WFPKARFIPWTWTF-LJQANCHMSA-N 2 1 366.509 3.232 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357536 720759252 /nfs/dbraw/zinc/75/92/52/720759252.db2.gz OZOMCEFURXGWGQ-SJORKVTESA-N 2 1 366.937 3.115 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666668459 720960110 /nfs/dbraw/zinc/96/01/10/720960110.db2.gz AATIBHRLLFYYNX-SFHVURJKSA-N 2 1 350.551 3.005 20 0 FGADMP Cc1[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)cc2[nH]ccc21 ZINC001164858861 720992568 /nfs/dbraw/zinc/99/25/68/720992568.db2.gz IPRUHOGZPRRHDX-HNNXBMFYSA-N 2 1 352.486 3.489 20 0 FGADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@H+]3C2)c1 ZINC001164899047 721513491 /nfs/dbraw/zinc/51/34/91/721513491.db2.gz JSMWLMWNXJMAQT-WBVHZDCISA-N 2 1 352.413 3.044 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903479 721539348 /nfs/dbraw/zinc/53/93/48/721539348.db2.gz CZPCDXRIFPIEJE-WMZOPIPTSA-N 2 1 366.440 3.352 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053240 721620026 /nfs/dbraw/zinc/62/00/26/721620026.db2.gz YICHWCPHQRBGAI-ROUUACIJSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000672053240 721620027 /nfs/dbraw/zinc/62/00/27/721620027.db2.gz YICHWCPHQRBGAI-ROUUACIJSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000672053240 721620028 /nfs/dbraw/zinc/62/00/28/721620028.db2.gz YICHWCPHQRBGAI-ROUUACIJSA-N 2 1 351.922 3.323 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672620774 721639480 /nfs/dbraw/zinc/63/94/80/721639480.db2.gz RNUDOZGSMZTFND-POAQFYNOSA-N 2 1 368.949 3.143 20 0 FGADMP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000678073953 721937109 /nfs/dbraw/zinc/93/71/09/721937109.db2.gz OYUFTCOGOTVSHI-SFHVURJKSA-N 2 1 355.448 3.307 20 0 FGADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000678073953 721937112 /nfs/dbraw/zinc/93/71/12/721937112.db2.gz OYUFTCOGOTVSHI-SFHVURJKSA-N 2 1 355.448 3.307 20 0 FGADMP Cc1nn2c(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)c(C)nc2s1 ZINC000678139112 721941250 /nfs/dbraw/zinc/94/12/50/721941250.db2.gz JSBXUPQCRZLRMH-UHFFFAOYSA-N 2 1 361.559 3.496 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000678260666 721947934 /nfs/dbraw/zinc/94/79/34/721947934.db2.gz GQQFGLSLFVKKCE-UHFFFAOYSA-N 2 1 362.848 3.484 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678599194 721966699 /nfs/dbraw/zinc/96/66/99/721966699.db2.gz XAGUHUUPAWWBMN-SLFFLAALSA-N 2 1 350.453 3.310 20 0 FGADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC[N@@H+](Cc3cccnc3)C2)CC1 ZINC001164951979 722015192 /nfs/dbraw/zinc/01/51/92/722015192.db2.gz FJTYDGSBZKPOIU-UHFFFAOYSA-N 2 1 361.493 3.461 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700809383 722409770 /nfs/dbraw/zinc/40/97/70/722409770.db2.gz OUVXFIXVIMKUKS-SFHVURJKSA-N 2 1 353.551 3.345 20 0 FGADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)C(F)(F)F ZINC000724117132 722420906 /nfs/dbraw/zinc/42/09/06/722420906.db2.gz WIAUXUKWNLAHGA-HNNXBMFYSA-N 2 1 366.374 3.189 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000742385862 722556660 /nfs/dbraw/zinc/55/66/60/722556660.db2.gz ZAORDRRSKBIJJJ-AEFFLSMTSA-N 2 1 353.551 3.344 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781345 722956831 /nfs/dbraw/zinc/95/68/31/722956831.db2.gz VCRDEKFEDFVMJT-MJGOQNOKSA-N 2 1 361.917 3.235 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760677385 723080667 /nfs/dbraw/zinc/08/06/67/723080667.db2.gz JBNWWWCRSSNADT-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000760840211 723097209 /nfs/dbraw/zinc/09/72/09/723097209.db2.gz GRSYRBNLYHNVAU-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000760898363 723103024 /nfs/dbraw/zinc/10/30/24/723103024.db2.gz RVMJPBPGNXCCQP-AWEZNQCLSA-N 2 1 374.497 3.456 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000762917913 723291915 /nfs/dbraw/zinc/29/19/15/723291915.db2.gz OENZNXLVYJQHFX-OAHLLOKOSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000767413409 723618267 /nfs/dbraw/zinc/61/82/67/723618267.db2.gz BQFLGPOQBOGSLE-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000767413409 723618268 /nfs/dbraw/zinc/61/82/68/723618268.db2.gz BQFLGPOQBOGSLE-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000796737383 723652608 /nfs/dbraw/zinc/65/26/08/723652608.db2.gz AGVOYMRSRZFUBY-XWTMOSNGSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000796736802 723652684 /nfs/dbraw/zinc/65/26/84/723652684.db2.gz HPMCCPJLPMLPMW-QZWWFDLISA-N 2 1 358.404 3.081 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@H]21 ZINC000796748414 723653381 /nfs/dbraw/zinc/65/33/81/723653381.db2.gz LCWZVORPUABLAU-OKZBNKHCSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000768927269 723672363 /nfs/dbraw/zinc/67/23/63/723672363.db2.gz SDSUOAKXJXCOBO-SFHVURJKSA-N 2 1 353.551 3.438 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000772875724 723770352 /nfs/dbraw/zinc/77/03/52/723770352.db2.gz WIAXFOZQEWAITC-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000773016221 723774569 /nfs/dbraw/zinc/77/45/69/723774569.db2.gz WNAVFVKURGLZPO-JCGIZDLHSA-N 2 1 372.912 3.239 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000773016221 723774570 /nfs/dbraw/zinc/77/45/70/723774570.db2.gz WNAVFVKURGLZPO-JCGIZDLHSA-N 2 1 372.912 3.239 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)CC2)nc(C)[nH+]1 ZINC000775396016 723987989 /nfs/dbraw/zinc/98/79/89/723987989.db2.gz OTRALUDYNXPHCI-NUJGCVRESA-N 2 1 364.584 3.031 20 0 FGADMP C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000800373011 724188293 /nfs/dbraw/zinc/18/82/93/724188293.db2.gz GBYVRUFOZCJYFY-RDJZCZTQSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949003 724349687 /nfs/dbraw/zinc/34/96/87/724349687.db2.gz AKGYXAIKAKBUMM-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525037 725070373 /nfs/dbraw/zinc/07/03/73/725070373.db2.gz AYTASEJNIOJDCF-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788540393 725071585 /nfs/dbraw/zinc/07/15/85/725071585.db2.gz QPTCDZSQRDGIBA-BBWFWOEESA-N 2 1 353.551 3.199 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000808718660 725214780 /nfs/dbraw/zinc/21/47/80/725214780.db2.gz AHDALYQBVXSXKL-MRXNPFEDSA-N 2 1 360.889 3.238 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(Cc3ncc(C[NH+](C)C)s3)C2)CC1 ZINC000809557512 725247198 /nfs/dbraw/zinc/24/71/98/725247198.db2.gz SMQAUIWPGNARLS-QGZVFWFLSA-N 2 1 350.576 3.149 20 0 FGADMP O[C@@H]1CCC[NH+](CCCCCCCCC[N@@H+]2CCC[C@@H](O)CC2)CC1 ZINC000815301196 727062415 /nfs/dbraw/zinc/06/24/15/727062415.db2.gz TZJVXKUZXWBDSF-NHCUHLMSSA-N 2 1 354.579 3.411 20 0 FGADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000817983924 727290263 /nfs/dbraw/zinc/29/02/63/727290263.db2.gz LURMKSVFOBUBAP-INIZCTEOSA-N 2 1 358.917 3.379 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985707 727334921 /nfs/dbraw/zinc/33/49/21/727334921.db2.gz VDBUDTRUPLHIQU-WMLDXEAASA-N 2 1 360.420 3.329 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819062289 727343515 /nfs/dbraw/zinc/34/35/15/727343515.db2.gz PGXCHAQIRFLENR-GOSISDBHSA-N 2 1 374.356 3.034 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819101405 727347800 /nfs/dbraw/zinc/34/78/00/727347800.db2.gz SWNXRNMKKREPGL-INIZCTEOSA-N 2 1 357.376 3.194 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152194 727353176 /nfs/dbraw/zinc/35/31/76/727353176.db2.gz NYCNFHSPPFLYRQ-SUMWQHHRSA-N 2 1 373.310 3.189 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823395531 729275564 /nfs/dbraw/zinc/27/55/64/729275564.db2.gz WZMJRIHOUVUGHK-JXFKEZNVSA-N 2 1 351.535 3.048 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC000823464892 729282831 /nfs/dbraw/zinc/28/28/31/729282831.db2.gz OGWCSOCEFRXGKU-BOSXTWCSSA-N 2 1 351.535 3.048 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC000823464892 729282832 /nfs/dbraw/zinc/28/28/32/729282832.db2.gz OGWCSOCEFRXGKU-BOSXTWCSSA-N 2 1 351.535 3.048 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@@H]1C ZINC000823464892 729282834 /nfs/dbraw/zinc/28/28/34/729282834.db2.gz OGWCSOCEFRXGKU-BOSXTWCSSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659709 729297019 /nfs/dbraw/zinc/29/70/19/729297019.db2.gz OGKJRAHTMNBHCV-BDXSIMOUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659709 729297020 /nfs/dbraw/zinc/29/70/20/729297020.db2.gz OGKJRAHTMNBHCV-BDXSIMOUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292937 729329091 /nfs/dbraw/zinc/32/90/91/729329091.db2.gz WOLVWIVIEINHRA-FGTMMUONSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC000824989095 729366971 /nfs/dbraw/zinc/36/69/71/729366971.db2.gz ZSTZUAWREDYKLR-DUQJVZAFSA-N 2 1 351.535 3.237 20 0 FGADMP [NH3+][C@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000829045950 729452954 /nfs/dbraw/zinc/45/29/54/729452954.db2.gz ZRUBMQMEEZBANU-QGZVFWFLSA-N 2 1 370.324 3.201 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831480531 729645314 /nfs/dbraw/zinc/64/53/14/729645314.db2.gz DCMCVDVMIIPHLR-DOXZYTNZSA-N 2 1 367.896 3.120 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000831535655 729649484 /nfs/dbraw/zinc/64/94/84/729649484.db2.gz YYSRLWUBTGNSGO-HKUYNNGSSA-N 2 1 353.457 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000831535655 729649485 /nfs/dbraw/zinc/64/94/85/729649485.db2.gz YYSRLWUBTGNSGO-HKUYNNGSSA-N 2 1 353.457 3.124 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508745 729808644 /nfs/dbraw/zinc/80/86/44/729808644.db2.gz QGJVHUTVIFZPAZ-BPQIPLTHSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808730 730177376 /nfs/dbraw/zinc/17/73/76/730177376.db2.gz OPEDWRSWZMFJEZ-KGLIPLIRSA-N 2 1 360.470 3.065 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC000840964638 730198175 /nfs/dbraw/zinc/19/81/75/730198175.db2.gz TXOBILRDMJBMET-RTBURBONSA-N 2 1 359.901 3.362 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC000840964638 730198177 /nfs/dbraw/zinc/19/81/77/730198177.db2.gz TXOBILRDMJBMET-RTBURBONSA-N 2 1 359.901 3.362 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000843352206 730609530 /nfs/dbraw/zinc/60/95/30/730609530.db2.gz BYAYPLAMPCKJJR-UHFFFAOYSA-N 2 1 357.470 3.261 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363811 730611052 /nfs/dbraw/zinc/61/10/52/730611052.db2.gz BHXLHXUCRKDZRI-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP O=[S@](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495541 731364103 /nfs/dbraw/zinc/36/41/03/731364103.db2.gz FRKOYNYKLPLNIP-LQIAVNJRSA-N 2 1 374.472 3.083 20 0 FGADMP O=[S@](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495541 731364106 /nfs/dbraw/zinc/36/41/06/731364106.db2.gz FRKOYNYKLPLNIP-LQIAVNJRSA-N 2 1 374.472 3.083 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H]2CCC[C@H]21 ZINC000850522653 731368828 /nfs/dbraw/zinc/36/88/28/731368828.db2.gz KOEBJQOQOCXUNU-IXDOHACOSA-N 2 1 351.535 3.286 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000850538678 731371056 /nfs/dbraw/zinc/37/10/56/731371056.db2.gz JWMIHOCYGABHHG-PMPSAXMXSA-N 2 1 358.473 3.350 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000850538678 731371059 /nfs/dbraw/zinc/37/10/59/731371059.db2.gz JWMIHOCYGABHHG-PMPSAXMXSA-N 2 1 358.473 3.350 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107752 731544094 /nfs/dbraw/zinc/54/40/94/731544094.db2.gz PVCWTWPKIDHXTE-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107752 731544096 /nfs/dbraw/zinc/54/40/96/731544096.db2.gz PVCWTWPKIDHXTE-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107752 731544098 /nfs/dbraw/zinc/54/40/98/731544098.db2.gz PVCWTWPKIDHXTE-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242003 731686610 /nfs/dbraw/zinc/68/66/10/731686610.db2.gz YVUSKFQFSIPZLU-SOLBZPMBSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853242002 731686690 /nfs/dbraw/zinc/68/66/90/731686690.db2.gz YVUSKFQFSIPZLU-RYRKJORJSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC000853242001 731686729 /nfs/dbraw/zinc/68/67/29/731686729.db2.gz YVUSKFQFSIPZLU-NUJGCVRESA-N 2 1 353.551 3.390 20 0 FGADMP Cc1csc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000856561472 732038917 /nfs/dbraw/zinc/03/89/17/732038917.db2.gz UJRQALAYUHQRGU-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000856561472 732038921 /nfs/dbraw/zinc/03/89/21/732038921.db2.gz UJRQALAYUHQRGU-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856561472 732038925 /nfs/dbraw/zinc/03/89/25/732038925.db2.gz UJRQALAYUHQRGU-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856561472 732038931 /nfs/dbraw/zinc/03/89/31/732038931.db2.gz UJRQALAYUHQRGU-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)n1 ZINC000856561469 732039026 /nfs/dbraw/zinc/03/90/26/732039026.db2.gz UJRQALAYUHQRGU-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)n1 ZINC000856561469 732039030 /nfs/dbraw/zinc/03/90/30/732039030.db2.gz UJRQALAYUHQRGU-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856561469 732039032 /nfs/dbraw/zinc/03/90/32/732039032.db2.gz UJRQALAYUHQRGU-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1csc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)n1 ZINC000856561469 732039034 /nfs/dbraw/zinc/03/90/34/732039034.db2.gz UJRQALAYUHQRGU-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1nc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859212274 732290366 /nfs/dbraw/zinc/29/03/66/732290366.db2.gz MCSLLFHYFAMNEG-CQSZACIVSA-N 2 1 360.527 3.281 20 0 FGADMP Cc1nc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859212274 732290371 /nfs/dbraw/zinc/29/03/71/732290371.db2.gz MCSLLFHYFAMNEG-CQSZACIVSA-N 2 1 360.527 3.281 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482245 732839830 /nfs/dbraw/zinc/83/98/30/732839830.db2.gz FVKKEYPLSYVKHJ-KZNAEPCWSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000865416499 733194921 /nfs/dbraw/zinc/19/49/21/733194921.db2.gz AJKFDRVIWUGFKX-HZSPNIEDSA-N 2 1 365.440 3.049 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cncc3Cl)cc2)C1 ZINC000865623357 733239804 /nfs/dbraw/zinc/23/98/04/733239804.db2.gz OCALZYKKCBIMFV-OAHLLOKOSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cncc3Cl)cc2)C1 ZINC000865623357 733239807 /nfs/dbraw/zinc/23/98/07/733239807.db2.gz OCALZYKKCBIMFV-OAHLLOKOSA-N 2 1 366.292 3.245 20 0 FGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000866213535 733324802 /nfs/dbraw/zinc/32/48/02/733324802.db2.gz RXCVZCHNIPSMIV-HKUYNNGSSA-N 2 1 358.555 3.043 20 0 FGADMP Cc1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)n1C1CC1 ZINC000872743921 735670097 /nfs/dbraw/zinc/67/00/97/735670097.db2.gz LZCNLDMHGZRMKW-UHFFFAOYSA-N 2 1 351.564 3.315 20 0 FGADMP Cc1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c(=S)n1C1CC1 ZINC000872743921 735670100 /nfs/dbraw/zinc/67/01/00/735670100.db2.gz LZCNLDMHGZRMKW-UHFFFAOYSA-N 2 1 351.564 3.315 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000876928382 736164043 /nfs/dbraw/zinc/16/40/43/736164043.db2.gz BVXDVIWFAMLAQJ-UHFFFAOYSA-N 2 1 366.962 3.457 20 0 FGADMP CSC(C)(C)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000877026488 736176828 /nfs/dbraw/zinc/17/68/28/736176828.db2.gz CZQIKTZTXKYXDF-GOSISDBHSA-N 2 1 363.571 3.005 20 0 FGADMP CSC(C)(C)CC[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000877026491 736177478 /nfs/dbraw/zinc/17/74/78/736177478.db2.gz CZQIKTZTXKYXDF-SFHVURJKSA-N 2 1 363.571 3.005 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000877525121 736678677 /nfs/dbraw/zinc/67/86/77/736678677.db2.gz RKDWMSQDBNQWHR-AWEZNQCLSA-N 2 1 369.303 3.056 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000877525121 736678679 /nfs/dbraw/zinc/67/86/79/736678679.db2.gz RKDWMSQDBNQWHR-AWEZNQCLSA-N 2 1 369.303 3.056 20 0 FGADMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575196 737009645 /nfs/dbraw/zinc/00/96/45/737009645.db2.gz IBTSWXOLLRNZRT-LRDDRELGSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575196 737009652 /nfs/dbraw/zinc/00/96/52/737009652.db2.gz IBTSWXOLLRNZRT-LRDDRELGSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575196 737009657 /nfs/dbraw/zinc/00/96/57/737009657.db2.gz IBTSWXOLLRNZRT-LRDDRELGSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575196 737009666 /nfs/dbraw/zinc/00/96/66/737009666.db2.gz IBTSWXOLLRNZRT-LRDDRELGSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575196 737009672 /nfs/dbraw/zinc/00/96/72/737009672.db2.gz IBTSWXOLLRNZRT-LRDDRELGSA-N 2 1 356.297 3.348 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880472624 737178190 /nfs/dbraw/zinc/17/81/90/737178190.db2.gz WANQFYHXGLALQO-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1C ZINC000883448305 737567517 /nfs/dbraw/zinc/56/75/17/737567517.db2.gz AGRLAMLSJRCUNH-MRXNPFEDSA-N 2 1 365.543 3.197 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884461464 737665990 /nfs/dbraw/zinc/66/59/90/737665990.db2.gz FUOQBMAQHGNFHF-OAHLLOKOSA-N 2 1 357.420 3.038 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1C(F)(F)F ZINC000892491480 740005940 /nfs/dbraw/zinc/00/59/40/740005940.db2.gz ARWBIMAIHUFHQR-BMFZPTHFSA-N 2 1 362.436 3.113 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000892622822 740024362 /nfs/dbraw/zinc/02/43/62/740024362.db2.gz SCJXQRQDSOXYDO-CYBMUJFWSA-N 2 1 368.319 3.229 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C[C@@H]1C(F)(F)F ZINC000892741444 740039607 /nfs/dbraw/zinc/03/96/07/740039607.db2.gz AXWXQVHQRIKVED-JONQDZQNSA-N 2 1 364.452 3.218 20 0 FGADMP Cn1c(Cl)cnc1C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000898520402 742804296 /nfs/dbraw/zinc/80/42/96/742804296.db2.gz XVBCAYWAYTVRHX-SQNIBIBYSA-N 2 1 358.917 3.464 20 0 FGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903209104 743822652 /nfs/dbraw/zinc/82/26/52/743822652.db2.gz GOKGTGNXPDRNGG-ONQFOCNCSA-N 2 1 354.416 3.486 20 0 FGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903209104 743822657 /nfs/dbraw/zinc/82/26/57/743822657.db2.gz GOKGTGNXPDRNGG-ONQFOCNCSA-N 2 1 354.416 3.486 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCS[C@H](C)[C@H]2c2ccccc2)cnn1C ZINC000903894581 743893890 /nfs/dbraw/zinc/89/38/90/743893890.db2.gz ACTNNKBQHXJWPU-HLIPFELVSA-N 2 1 358.555 3.025 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904406936 743952871 /nfs/dbraw/zinc/95/28/71/743952871.db2.gz XVZYTFLHGJEJRE-CQSZACIVSA-N 2 1 371.319 3.035 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cccs1 ZINC000904655135 743966413 /nfs/dbraw/zinc/96/64/13/743966413.db2.gz QEXSQKGUOHHMRV-CRAIPNDOSA-N 2 1 358.511 3.411 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccccc2Cl)CC1 ZINC000919718594 758466260 /nfs/dbraw/zinc/46/62/60/758466260.db2.gz HHTQZZWUGUPUBJ-UHFFFAOYSA-N 2 1 361.902 3.296 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000921629429 758758851 /nfs/dbraw/zinc/75/88/51/758758851.db2.gz VHYUYKHUNYOVRA-UHFFFAOYSA-N 2 1 351.223 3.364 20 0 FGADMP Fc1cc2[nH]c(C[NH2+][C@H]3CCc4[nH+]ccn4C3)cc2c(Br)c1 ZINC000921629670 758759259 /nfs/dbraw/zinc/75/92/59/758759259.db2.gz DEJKAXQDYZXHKF-NSHDSACASA-N 2 1 363.234 3.371 20 0 FGADMP Cc1nn(C)c(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1Cl ZINC000921669953 758768417 /nfs/dbraw/zinc/76/84/17/758768417.db2.gz BUVKXISIKILXIE-UHFFFAOYSA-N 2 1 350.894 3.002 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390130 758910305 /nfs/dbraw/zinc/91/03/05/758910305.db2.gz KUPAXNISTHIDOP-KLHDSHLOSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388171 758910511 /nfs/dbraw/zinc/91/05/11/758910511.db2.gz CMNHMBNXFCFXBV-LUYZLQTOSA-N 2 1 362.461 3.336 20 0 FGADMP Cc1nc2ccc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391189 758911493 /nfs/dbraw/zinc/91/14/93/758911493.db2.gz UKDDODOEDKVHCI-LFGUQSLTSA-N 2 1 359.539 3.174 20 0 FGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373714 759107163 /nfs/dbraw/zinc/10/71/63/759107163.db2.gz PBSREWXKAKRJRK-BBRMVZONSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc(Cc3ccccc3)n1)CC2 ZINC000923450441 759120506 /nfs/dbraw/zinc/12/05/06/759120506.db2.gz HILRIGYPUGUORH-SFHVURJKSA-N 2 1 357.523 3.064 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c(OC)c1 ZINC000923501987 759133443 /nfs/dbraw/zinc/13/34/43/759133443.db2.gz VDDTWMRACXXBFG-KBPBESRZSA-N 2 1 361.511 3.244 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCC[C@@H]3CCCO)CCCC2)CC1 ZINC000925001236 759430044 /nfs/dbraw/zinc/43/00/44/759430044.db2.gz WTLHWXUVOUBUOX-UYAOXDASSA-N 2 1 352.563 3.331 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(Br)CC3)CC2)oc1C ZINC000925036178 759435234 /nfs/dbraw/zinc/43/52/34/759435234.db2.gz AWCAWUOZSPUTON-AWEZNQCLSA-N 2 1 370.335 3.409 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4c3nccc4Cl)CC2)nc(C)[nH+]1 ZINC000925224819 759465113 /nfs/dbraw/zinc/46/51/13/759465113.db2.gz NXHCONFLDDPACG-QGZVFWFLSA-N 2 1 357.889 3.388 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927039501 759880545 /nfs/dbraw/zinc/88/05/45/759880545.db2.gz UPRIPBYDIBUVFQ-JJBAYQRUSA-N 3 1 351.579 3.120 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927039501 759880553 /nfs/dbraw/zinc/88/05/53/759880553.db2.gz UPRIPBYDIBUVFQ-JJBAYQRUSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929841082 760468527 /nfs/dbraw/zinc/46/85/27/760468527.db2.gz KBJFDBKFBPSICY-ICSRJNTNSA-N 2 1 352.563 3.019 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932708147 761225658 /nfs/dbraw/zinc/22/56/58/761225658.db2.gz MUJXHHBGMOPBKS-WBVHZDCISA-N 2 1 350.507 3.064 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932708147 761225660 /nfs/dbraw/zinc/22/56/60/761225660.db2.gz MUJXHHBGMOPBKS-WBVHZDCISA-N 2 1 350.507 3.064 20 0 FGADMP c1csc(C[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000934330779 761596628 /nfs/dbraw/zinc/59/66/28/761596628.db2.gz JVZYLBVUJJXYFV-IBGZPJMESA-N 2 1 357.523 3.040 20 0 FGADMP c1csc(C[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000934330779 761596638 /nfs/dbraw/zinc/59/66/38/761596638.db2.gz JVZYLBVUJJXYFV-IBGZPJMESA-N 2 1 357.523 3.040 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2Cc2ccsc2)CC[N@H+]1C ZINC000968867361 762844256 /nfs/dbraw/zinc/84/42/56/762844256.db2.gz VLQYOHGDXDTERU-GBESFXJTSA-N 2 1 363.571 3.339 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccsc2)CC[NH+]1C ZINC000968867361 762844267 /nfs/dbraw/zinc/84/42/67/762844267.db2.gz VLQYOHGDXDTERU-GBESFXJTSA-N 2 1 363.571 3.339 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2Cc2ccsc2)CC[NH+]1C ZINC000968867361 762844275 /nfs/dbraw/zinc/84/42/75/762844275.db2.gz VLQYOHGDXDTERU-GBESFXJTSA-N 2 1 363.571 3.339 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC000983705696 763659314 /nfs/dbraw/zinc/65/93/14/763659314.db2.gz ZKGKZYHHUIWWQX-GLIGQWPOSA-N 2 1 363.933 3.226 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000983712743 763662600 /nfs/dbraw/zinc/66/26/00/763662600.db2.gz CAHFQSQGQHHDBD-DSLXNQLJSA-N 2 1 363.571 3.080 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000998015005 765091513 /nfs/dbraw/zinc/09/15/13/765091513.db2.gz BJIWQTDYVBOJLA-CEXWTWQISA-N 2 1 351.579 3.466 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000998015005 765091520 /nfs/dbraw/zinc/09/15/20/765091520.db2.gz BJIWQTDYVBOJLA-CEXWTWQISA-N 2 1 351.579 3.466 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000998015005 765091526 /nfs/dbraw/zinc/09/15/26/765091526.db2.gz BJIWQTDYVBOJLA-CEXWTWQISA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000999204459 765147501 /nfs/dbraw/zinc/14/75/01/765147501.db2.gz GCPZPPOCLKXHGD-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1ccc(CN2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376780 765590686 /nfs/dbraw/zinc/59/06/86/765590686.db2.gz NMKXUYYIWMSQAK-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376780 765590691 /nfs/dbraw/zinc/59/06/91/765590691.db2.gz NMKXUYYIWMSQAK-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376780 765590696 /nfs/dbraw/zinc/59/06/96/765590696.db2.gz NMKXUYYIWMSQAK-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376780 765590698 /nfs/dbraw/zinc/59/06/98/765590698.db2.gz NMKXUYYIWMSQAK-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376780 765590703 /nfs/dbraw/zinc/59/07/03/765590703.db2.gz NMKXUYYIWMSQAK-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171354 765866102 /nfs/dbraw/zinc/86/61/02/765866102.db2.gz YNMGUDORHUDRDU-UTGUJQJDSA-N 2 1 367.896 3.117 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001027416162 766092925 /nfs/dbraw/zinc/09/29/25/766092925.db2.gz AEBHLIWHIXSKJZ-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001027416162 766092926 /nfs/dbraw/zinc/09/29/26/766092926.db2.gz AEBHLIWHIXSKJZ-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001027416162 766092929 /nfs/dbraw/zinc/09/29/29/766092929.db2.gz AEBHLIWHIXSKJZ-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033090451 766205291 /nfs/dbraw/zinc/20/52/91/766205291.db2.gz AZWIPHMSUHWIMQ-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090451 766205296 /nfs/dbraw/zinc/20/52/96/766205296.db2.gz AZWIPHMSUHWIMQ-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090451 766205297 /nfs/dbraw/zinc/20/52/97/766205297.db2.gz AZWIPHMSUHWIMQ-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001034941246 766250553 /nfs/dbraw/zinc/25/05/53/766250553.db2.gz NWIRTHILSQDTSZ-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001052394002 766899994 /nfs/dbraw/zinc/89/99/94/766899994.db2.gz SYPRAAXEPYEPCV-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)CC2)CC[NH+]1C ZINC001052394002 766900016 /nfs/dbraw/zinc/90/00/16/766900016.db2.gz SYPRAAXEPYEPCV-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)CC2)CC[NH+]1C ZINC001052394002 766900022 /nfs/dbraw/zinc/90/00/22/766900022.db2.gz SYPRAAXEPYEPCV-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(I)cc2)CC1 ZINC000038098135 205038054 /nfs/dbraw/zinc/03/80/54/205038054.db2.gz FWZJCXPTKPEABT-LBPRGKRZSA-N 2 1 358.267 3.426 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(I)cc2)CC1 ZINC000038098136 205039219 /nfs/dbraw/zinc/03/92/19/205039219.db2.gz FWZJCXPTKPEABT-GFCCVEGCSA-N 2 1 358.267 3.426 20 0 FGADMP COc1sc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Br ZINC000121287323 494683011 /nfs/dbraw/zinc/68/30/11/494683011.db2.gz GGHDZMYRXOQLQU-JTQLQIEISA-N 2 1 358.305 3.450 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147684 503690442 /nfs/dbraw/zinc/69/04/42/503690442.db2.gz ORCBSOHUANVYMH-IRXDYDNUSA-N 2 1 367.559 3.077 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000567974183 505586876 /nfs/dbraw/zinc/58/68/76/505586876.db2.gz WNGDAIDTFNZFBJ-KRWDZBQOSA-N 2 1 367.493 3.094 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000570910001 505609506 /nfs/dbraw/zinc/60/95/06/505609506.db2.gz VYSTUIKJRDTDFI-QRWLVFNGSA-N 2 1 350.466 3.074 20 0 FGADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000579768695 505616029 /nfs/dbraw/zinc/61/60/29/505616029.db2.gz QIANEGNXBUTBGC-YLJYHZDGSA-N 2 1 355.526 3.156 20 0 FGADMP CN(C(=O)Nc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576925930 505626579 /nfs/dbraw/zinc/62/65/79/505626579.db2.gz WYVNIVNCLMOVOH-IBGZPJMESA-N 2 1 364.493 3.071 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(F)(F)F)s1 ZINC000577026806 505647392 /nfs/dbraw/zinc/64/73/92/505647392.db2.gz YZDCJRVWZKHASB-ZDUSSCGKSA-N 2 1 364.481 3.010 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccccc1Br ZINC000579996611 505657893 /nfs/dbraw/zinc/65/78/93/505657893.db2.gz FGZDSNNOKNBRHR-UHFFFAOYSA-N 2 1 364.287 3.074 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(C)c3)CC2)CC1 ZINC000075719673 493773234 /nfs/dbraw/zinc/77/32/34/493773234.db2.gz NUACTKVEYXKNAA-LJQANCHMSA-N 2 1 357.542 3.322 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)[NH+](C)C)cc1 ZINC000057631019 493780484 /nfs/dbraw/zinc/78/04/84/493780484.db2.gz RNNHVTHAMQDZPC-LJQANCHMSA-N 2 1 360.546 3.114 20 0 FGADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)CC[C@@H]1CCCC[NH+]1C ZINC000075860782 493786842 /nfs/dbraw/zinc/78/68/42/493786842.db2.gz QABLTVJYJHOEFR-KRWDZBQOSA-N 2 1 351.922 3.153 20 0 FGADMP C[NH+](CCC(=O)NCc1ccccc1Cl)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860782 493786848 /nfs/dbraw/zinc/78/68/48/493786848.db2.gz QABLTVJYJHOEFR-KRWDZBQOSA-N 2 1 351.922 3.153 20 0 FGADMP C[NH+](CCC(=O)NCc1ccccc1Cl)CC[C@@H]1CCCC[N@H+]1C ZINC000075860782 493786852 /nfs/dbraw/zinc/78/68/52/493786852.db2.gz QABLTVJYJHOEFR-KRWDZBQOSA-N 2 1 351.922 3.153 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000076003049 493807772 /nfs/dbraw/zinc/80/77/72/493807772.db2.gz RPASNPOGEAYKMR-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP CC[NH+](CC)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000058013710 493821020 /nfs/dbraw/zinc/82/10/20/493821020.db2.gz IBYQNFSQNMRDPT-UHFFFAOYSA-N 2 1 365.521 3.262 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109794 493824136 /nfs/dbraw/zinc/82/41/36/493824136.db2.gz OPBIWDFXXUNCRQ-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000076109794 493824141 /nfs/dbraw/zinc/82/41/41/493824141.db2.gz OPBIWDFXXUNCRQ-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000076109794 493824145 /nfs/dbraw/zinc/82/41/45/493824145.db2.gz OPBIWDFXXUNCRQ-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076109696 493824179 /nfs/dbraw/zinc/82/41/79/493824179.db2.gz RFAMXQOPLBGVRM-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076109696 493824184 /nfs/dbraw/zinc/82/41/84/493824184.db2.gz RFAMXQOPLBGVRM-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076109696 493824191 /nfs/dbraw/zinc/82/41/91/493824191.db2.gz RFAMXQOPLBGVRM-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076109696 493824195 /nfs/dbraw/zinc/82/41/95/493824195.db2.gz RFAMXQOPLBGVRM-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000076458641 493897157 /nfs/dbraw/zinc/89/71/57/493897157.db2.gz LGWNKFXKYKYAEY-UHFFFAOYSA-N 2 1 371.550 3.482 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000076458641 493897163 /nfs/dbraw/zinc/89/71/63/493897163.db2.gz LGWNKFXKYKYAEY-UHFFFAOYSA-N 2 1 371.550 3.482 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569786 493919193 /nfs/dbraw/zinc/91/91/93/493919193.db2.gz SNHSTVWISQTIRQ-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569786 493919198 /nfs/dbraw/zinc/91/91/98/493919198.db2.gz SNHSTVWISQTIRQ-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569786 493919204 /nfs/dbraw/zinc/91/92/04/493919204.db2.gz SNHSTVWISQTIRQ-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000060894282 493957458 /nfs/dbraw/zinc/95/74/58/493957458.db2.gz QGPDAAZORCGZAR-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000061786408 493994641 /nfs/dbraw/zinc/99/46/41/493994641.db2.gz MJBSHQZUABIRON-CTNGQTDRSA-N 2 1 372.557 3.161 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCC(C)CC2)c1 ZINC000061864449 493997224 /nfs/dbraw/zinc/99/72/24/493997224.db2.gz RIAIGBFXILSACU-UHFFFAOYSA-N 2 1 374.573 3.450 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1 ZINC000062473392 494014123 /nfs/dbraw/zinc/01/41/23/494014123.db2.gz XRFUEHXOALKUPJ-SFHVURJKSA-N 2 1 374.554 3.302 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000077249705 494043054 /nfs/dbraw/zinc/04/30/54/494043054.db2.gz RJTMBJLBRAKLTL-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000077249705 494043058 /nfs/dbraw/zinc/04/30/58/494043058.db2.gz RJTMBJLBRAKLTL-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284335 505698408 /nfs/dbraw/zinc/69/84/08/505698408.db2.gz RPUCIKKTPDWZJD-RTBURBONSA-N 2 1 370.468 3.455 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284335 505698411 /nfs/dbraw/zinc/69/84/11/505698411.db2.gz RPUCIKKTPDWZJD-RTBURBONSA-N 2 1 370.468 3.455 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000577275442 505698588 /nfs/dbraw/zinc/69/85/88/505698588.db2.gz YKZIFMBMHCVBSW-KPFFTGBYSA-N 2 1 362.514 3.463 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000577275442 505698591 /nfs/dbraw/zinc/69/85/91/505698591.db2.gz YKZIFMBMHCVBSW-KPFFTGBYSA-N 2 1 362.514 3.463 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305989 505703086 /nfs/dbraw/zinc/70/30/86/505703086.db2.gz BWWUQJSHIISLRS-LEWJYISDSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305989 505703090 /nfs/dbraw/zinc/70/30/90/505703090.db2.gz BWWUQJSHIISLRS-LEWJYISDSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000065469758 494201760 /nfs/dbraw/zinc/20/17/60/494201760.db2.gz WYZPCNRGTWDRIE-BJLQDIEVSA-N 2 1 360.546 3.160 20 0 FGADMP CC(C)[C@@](C)(Cc1ccc(Cl)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000568488393 505707419 /nfs/dbraw/zinc/70/74/19/505707419.db2.gz JLCBLTVZQZVVTB-HXUWFJFHSA-N 2 1 365.949 3.051 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054720611 494264624 /nfs/dbraw/zinc/26/46/24/494264624.db2.gz HFINYXIQPIBQCT-ICSRJNTNSA-N 2 1 360.546 3.051 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089158360 494270710 /nfs/dbraw/zinc/27/07/10/494270710.db2.gz XVMCRCXGMWOAON-LAUBAEHRSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089158360 494270715 /nfs/dbraw/zinc/27/07/15/494270715.db2.gz XVMCRCXGMWOAON-LAUBAEHRSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000043239805 494278953 /nfs/dbraw/zinc/27/89/53/494278953.db2.gz LHTZGGZSWOQVIH-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000043239805 494278954 /nfs/dbraw/zinc/27/89/54/494278954.db2.gz LHTZGGZSWOQVIH-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000043239805 494278959 /nfs/dbraw/zinc/27/89/59/494278959.db2.gz LHTZGGZSWOQVIH-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072965782 494293116 /nfs/dbraw/zinc/29/31/16/494293116.db2.gz CBJYYBNOOPWUOI-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072965782 494293120 /nfs/dbraw/zinc/29/31/20/494293120.db2.gz CBJYYBNOOPWUOI-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965782 494293125 /nfs/dbraw/zinc/29/31/25/494293125.db2.gz CBJYYBNOOPWUOI-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072965782 494293131 /nfs/dbraw/zinc/29/31/31/494293131.db2.gz CBJYYBNOOPWUOI-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000078484940 494305155 /nfs/dbraw/zinc/30/51/55/494305155.db2.gz FUDKPRJXVIJWSP-RBUKOAKNSA-N 2 1 370.497 3.019 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000568512108 505713017 /nfs/dbraw/zinc/71/30/17/505713017.db2.gz FXPGKAWOLMONGM-ZPUIDXCVSA-N 2 1 368.308 3.158 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000043860614 494325816 /nfs/dbraw/zinc/32/58/16/494325816.db2.gz IKFNBWOEVNYHDV-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000073214536 494339599 /nfs/dbraw/zinc/33/95/99/494339599.db2.gz NPXMDFNFIQYOPI-ICSRJNTNSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000073306577 494355205 /nfs/dbraw/zinc/35/52/05/494355205.db2.gz OGFVTKFQPPCUEX-UHFFFAOYSA-N 2 1 362.518 3.027 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cccs1 ZINC000073605326 494398863 /nfs/dbraw/zinc/39/88/63/494398863.db2.gz JDBGTGOEEVUUCK-QGZVFWFLSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cccs1 ZINC000073605326 494398867 /nfs/dbraw/zinc/39/88/67/494398867.db2.gz JDBGTGOEEVUUCK-QGZVFWFLSA-N 2 1 371.550 3.349 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000073651796 494408039 /nfs/dbraw/zinc/40/80/39/494408039.db2.gz BXVOPBWGJKNYBH-PMACEKPBSA-N 2 1 366.594 3.116 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC1 ZINC000017313914 494412919 /nfs/dbraw/zinc/41/29/19/494412919.db2.gz AJNNPKYOLAYCPE-UHFFFAOYSA-N 2 1 361.493 3.177 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000079267291 494427589 /nfs/dbraw/zinc/42/75/89/494427589.db2.gz XYNJSJVZUYHUOT-AEFFLSMTSA-N 2 1 366.575 3.305 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000073918081 494448085 /nfs/dbraw/zinc/44/80/85/494448085.db2.gz BKKGDHLMXBNPFR-FQEVSTJZSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000073918081 494448088 /nfs/dbraw/zinc/44/80/88/494448088.db2.gz BKKGDHLMXBNPFR-FQEVSTJZSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000073918081 494448091 /nfs/dbraw/zinc/44/80/91/494448091.db2.gz BKKGDHLMXBNPFR-FQEVSTJZSA-N 2 1 360.546 3.154 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000045789885 494463393 /nfs/dbraw/zinc/46/33/93/494463393.db2.gz OKCYFCOYIJACNX-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000045789885 494463395 /nfs/dbraw/zinc/46/33/95/494463395.db2.gz OKCYFCOYIJACNX-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000045789885 494463400 /nfs/dbraw/zinc/46/34/00/494463400.db2.gz OKCYFCOYIJACNX-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000045866583 494471184 /nfs/dbraw/zinc/47/11/84/494471184.db2.gz IZZYNTNZEIBENK-INIZCTEOSA-N 2 1 372.557 3.042 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000074228590 494501850 /nfs/dbraw/zinc/50/18/50/494501850.db2.gz HMIMTJQQBLULRO-UHFFFAOYSA-N 2 1 360.477 3.126 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000079849875 494536289 /nfs/dbraw/zinc/53/62/89/494536289.db2.gz YBAXVJQYSUWSMN-SFHVURJKSA-N 2 1 364.534 3.036 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CC1 ZINC000079849875 494536291 /nfs/dbraw/zinc/53/62/91/494536291.db2.gz YBAXVJQYSUWSMN-SFHVURJKSA-N 2 1 364.534 3.036 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)C1CC1 ZINC000067420041 494537744 /nfs/dbraw/zinc/53/77/44/494537744.db2.gz RQGOTHUNJBNUHO-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000067420041 494537748 /nfs/dbraw/zinc/53/77/48/494537748.db2.gz RQGOTHUNJBNUHO-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000067420041 494537750 /nfs/dbraw/zinc/53/77/50/494537750.db2.gz RQGOTHUNJBNUHO-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000079857301 494537757 /nfs/dbraw/zinc/53/77/57/494537757.db2.gz KOTJBHLDRQXEOS-UHFFFAOYSA-N 2 1 366.594 3.404 20 0 FGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447016 494538219 /nfs/dbraw/zinc/53/82/19/494538219.db2.gz POWNMGMUNZSLGB-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000115789997 494623943 /nfs/dbraw/zinc/62/39/43/494623943.db2.gz JEOATQAVSNFVJP-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856586 494625204 /nfs/dbraw/zinc/62/52/04/494625204.db2.gz OAGFPFSDZWMQFI-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773242 494643701 /nfs/dbraw/zinc/64/37/01/494643701.db2.gz POCLACBOANKHFD-IBGZPJMESA-N 2 1 372.557 3.072 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCCCN2C(C)C)CC1 ZINC000580338178 505735727 /nfs/dbraw/zinc/73/57/27/505735727.db2.gz MLGVIDDEWYLRBD-OAQYLSRUSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[N@H+](C)CCCC1CCN(C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000580338178 505735732 /nfs/dbraw/zinc/73/57/32/505735732.db2.gz MLGVIDDEWYLRBD-OAQYLSRUSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN(C[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC000580338178 505735736 /nfs/dbraw/zinc/73/57/36/505735736.db2.gz MLGVIDDEWYLRBD-OAQYLSRUSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[NH+](C)CCCC1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000580338178 505735741 /nfs/dbraw/zinc/73/57/41/505735741.db2.gz MLGVIDDEWYLRBD-OAQYLSRUSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[NH+](C)CCCC1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000580338178 505735742 /nfs/dbraw/zinc/73/57/42/505735742.db2.gz MLGVIDDEWYLRBD-OAQYLSRUSA-N 2 1 353.595 3.320 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000075007407 494672416 /nfs/dbraw/zinc/67/24/16/494672416.db2.gz LPNMOUZISBSSHJ-UHFFFAOYSA-N 2 1 361.530 3.065 20 0 FGADMP CCCn1nc(C)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000092587033 494678404 /nfs/dbraw/zinc/67/84/04/494678404.db2.gz IYVOYYOERBFRLJ-CALCHBBNSA-N 2 1 362.562 3.231 20 0 FGADMP CCCCNC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574281456 505737131 /nfs/dbraw/zinc/73/71/31/505737131.db2.gz UCVCPZPFJSYSRX-SJORKVTESA-N 2 1 351.560 3.115 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126455020 494755905 /nfs/dbraw/zinc/75/59/05/494755905.db2.gz OCNCLUVSYOPGKG-AZUAARDMSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821125 494763010 /nfs/dbraw/zinc/76/30/10/494763010.db2.gz JRLKDENHUQRLSJ-KRWDZBQOSA-N 2 1 358.530 3.067 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821043 494764367 /nfs/dbraw/zinc/76/43/67/494764367.db2.gz NBLOTFBOFZMVNK-SFHVURJKSA-N 2 1 358.530 3.021 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000047778307 494774718 /nfs/dbraw/zinc/77/47/18/494774718.db2.gz SGGMKOZWMMOZGJ-LJQANCHMSA-N 2 1 372.513 3.222 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000047778307 494774723 /nfs/dbraw/zinc/77/47/23/494774723.db2.gz SGGMKOZWMMOZGJ-LJQANCHMSA-N 2 1 372.513 3.222 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116433855 494785021 /nfs/dbraw/zinc/78/50/21/494785021.db2.gz AMEHTUXWNLMLSR-MSOLQXFVSA-N 2 1 360.546 3.242 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)c1 ZINC000075565459 494796509 /nfs/dbraw/zinc/79/65/09/494796509.db2.gz ABPZQEHPKLZTQM-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126733889 494828184 /nfs/dbraw/zinc/82/81/84/494828184.db2.gz NINIOWONQMADLR-GOSISDBHSA-N 2 1 353.510 3.293 20 0 FGADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336976 494872468 /nfs/dbraw/zinc/87/24/68/494872468.db2.gz COSUOWOBZIWHHM-NRFANRHFSA-N 2 1 361.493 3.221 20 0 FGADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336976 494872470 /nfs/dbraw/zinc/87/24/70/494872470.db2.gz COSUOWOBZIWHHM-NRFANRHFSA-N 2 1 361.493 3.221 20 0 FGADMP C[NH+](Cc1ccc(-n2cncn2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336976 494872473 /nfs/dbraw/zinc/87/24/73/494872473.db2.gz COSUOWOBZIWHHM-NRFANRHFSA-N 2 1 361.493 3.221 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122213515 494940898 /nfs/dbraw/zinc/94/08/98/494940898.db2.gz PWGNOSNOQKIVFU-NRFANRHFSA-N 2 1 358.526 3.480 20 0 FGADMP CC[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132941332 494946113 /nfs/dbraw/zinc/94/61/13/494946113.db2.gz NQANUHUTJYEHEI-FQEVSTJZSA-N 2 1 358.574 3.181 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000133098937 494968886 /nfs/dbraw/zinc/96/88/86/494968886.db2.gz PZKSYNWGDGZFSP-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000571517296 505752806 /nfs/dbraw/zinc/75/28/06/505752806.db2.gz KCNGYDGSCCOAOZ-HXUWFJFHSA-N 2 1 372.488 3.001 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102804 495023306 /nfs/dbraw/zinc/02/33/06/495023306.db2.gz BXELFMDGJJUYMT-YLJYHZDGSA-N 2 1 361.493 3.163 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000111231466 495051002 /nfs/dbraw/zinc/05/10/02/495051002.db2.gz HYWUROSGQINAMC-OAQYLSRUSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000111231466 495051005 /nfs/dbraw/zinc/05/10/05/495051005.db2.gz HYWUROSGQINAMC-OAQYLSRUSA-N 2 1 367.537 3.321 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123162681 495089909 /nfs/dbraw/zinc/08/99/09/495089909.db2.gz PDDVYISGAWKHCF-CQSZACIVSA-N 2 1 352.910 3.116 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000123360063 495119946 /nfs/dbraw/zinc/11/99/46/495119946.db2.gz RDQNSLOAHWQDQU-UHFFFAOYSA-N 2 1 355.885 3.471 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123575556 495154166 /nfs/dbraw/zinc/15/41/66/495154166.db2.gz MKSRHKAKXKVKRO-MRXNPFEDSA-N 2 1 359.514 3.270 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000119561519 495190765 /nfs/dbraw/zinc/19/07/65/495190765.db2.gz KXZRIGTYFQFXOJ-AVRDEDQJSA-N 2 1 374.488 3.182 20 0 FGADMP C[N@H+](Cc1cccc(I)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000571587456 505766806 /nfs/dbraw/zinc/76/68/06/505766806.db2.gz MPSXGGLHOCTFGO-CQSZACIVSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1cccc(I)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000571587456 505766808 /nfs/dbraw/zinc/76/68/08/505766808.db2.gz MPSXGGLHOCTFGO-CQSZACIVSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1cccc(I)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000571587456 505766811 /nfs/dbraw/zinc/76/68/11/505766811.db2.gz MPSXGGLHOCTFGO-CQSZACIVSA-N 2 1 358.267 3.065 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590873 505767536 /nfs/dbraw/zinc/76/75/36/505767536.db2.gz CVIWOWHGNKHDEY-UEXGIBASSA-N 2 1 355.526 3.085 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000129302435 495224951 /nfs/dbraw/zinc/22/49/51/495224951.db2.gz ZOEHOHPKYYGFQL-UYAOXDASSA-N 2 1 364.578 3.154 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000129320155 495228009 /nfs/dbraw/zinc/22/80/09/495228009.db2.gz WPGDUCOQZKDVNZ-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000129320155 495228013 /nfs/dbraw/zinc/22/80/13/495228013.db2.gz WPGDUCOQZKDVNZ-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000129320155 495228014 /nfs/dbraw/zinc/22/80/14/495228014.db2.gz WPGDUCOQZKDVNZ-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000112742435 495233912 /nfs/dbraw/zinc/23/39/12/495233912.db2.gz VWWXBISESKHBNV-IBGZPJMESA-N 2 1 372.557 3.298 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000119882890 495261102 /nfs/dbraw/zinc/26/11/02/495261102.db2.gz AYNPHKJFNJYFFO-FQEVSTJZSA-N 2 1 369.513 3.060 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000119902216 495265854 /nfs/dbraw/zinc/26/58/54/495265854.db2.gz ZLSPHQFFKUFUNM-UHFFFAOYSA-N 2 1 369.513 3.019 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CCCc2ccccc2)CC1)Cc1ccccc1 ZINC000104087530 495267587 /nfs/dbraw/zinc/26/75/87/495267587.db2.gz DCMSJLXCQNGJCB-UHFFFAOYSA-N 2 1 351.538 3.369 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000104392017 495282160 /nfs/dbraw/zinc/28/21/60/495282160.db2.gz UJMQXQRIGYOKBC-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000104392017 495282163 /nfs/dbraw/zinc/28/21/63/495282163.db2.gz UJMQXQRIGYOKBC-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000104392017 495282167 /nfs/dbraw/zinc/28/21/67/495282167.db2.gz UJMQXQRIGYOKBC-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCOC(=O)c1cnc2ccccc2c1N(C)CCCn1cc[nH+]c1C ZINC000120210792 495328169 /nfs/dbraw/zinc/32/81/69/495328169.db2.gz FLFJWGKPDXYKIB-UHFFFAOYSA-N 2 1 352.438 3.443 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000136314049 495371995 /nfs/dbraw/zinc/37/19/95/495371995.db2.gz PJLVBDJWOVJAEB-UHFFFAOYSA-N 2 1 355.438 3.007 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000136314049 495371997 /nfs/dbraw/zinc/37/19/97/495371997.db2.gz PJLVBDJWOVJAEB-UHFFFAOYSA-N 2 1 355.438 3.007 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000136749320 495399740 /nfs/dbraw/zinc/39/97/40/495399740.db2.gz PHUIPEOOYXREOS-RTWAWAEBSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136749320 495399745 /nfs/dbraw/zinc/39/97/45/495399745.db2.gz PHUIPEOOYXREOS-RTWAWAEBSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136749320 495399748 /nfs/dbraw/zinc/39/97/48/495399748.db2.gz PHUIPEOOYXREOS-RTWAWAEBSA-N 2 1 372.557 3.153 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000130611354 495419379 /nfs/dbraw/zinc/41/93/79/495419379.db2.gz JLXUFHILYOPMET-FPOVZHCZSA-N 2 1 372.557 3.163 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000137156340 495426831 /nfs/dbraw/zinc/42/68/31/495426831.db2.gz TZZRBJMEYDRUMS-UHFFFAOYSA-N 2 1 370.497 3.102 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114827516 495431941 /nfs/dbraw/zinc/43/19/41/495431941.db2.gz ZLBBPLFWWAJUPL-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000137546620 495444694 /nfs/dbraw/zinc/44/46/94/495444694.db2.gz BGGZJRVEIFTFGV-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000130818741 495450291 /nfs/dbraw/zinc/45/02/91/495450291.db2.gz MKZRFGSPWDJYBP-QGZVFWFLSA-N 2 1 364.852 3.111 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000130818741 495450296 /nfs/dbraw/zinc/45/02/96/495450296.db2.gz MKZRFGSPWDJYBP-QGZVFWFLSA-N 2 1 364.852 3.111 20 0 FGADMP COC(=O)c1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2C)c(Cl)c1 ZINC000130939582 495469410 /nfs/dbraw/zinc/46/94/10/495469410.db2.gz QFGQJCSMEVEDIF-UHFFFAOYSA-N 2 1 365.861 3.032 20 0 FGADMP COC(=O)c1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2C)c(Cl)c1 ZINC000130939582 495469415 /nfs/dbraw/zinc/46/94/15/495469415.db2.gz QFGQJCSMEVEDIF-UHFFFAOYSA-N 2 1 365.861 3.032 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000106829264 495499405 /nfs/dbraw/zinc/49/94/05/495499405.db2.gz HIJSJXZQWPKGKE-UHFFFAOYSA-N 2 1 351.922 3.008 20 0 FGADMP C[N@H+](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000145661318 495558111 /nfs/dbraw/zinc/55/81/11/495558111.db2.gz ZJOWWRRCRPDXPA-UHFFFAOYSA-N 2 1 371.550 3.208 20 0 FGADMP C[N@@H+](CC(=O)NCC1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000145661318 495558116 /nfs/dbraw/zinc/55/81/16/495558116.db2.gz ZJOWWRRCRPDXPA-UHFFFAOYSA-N 2 1 371.550 3.208 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000158695146 495569939 /nfs/dbraw/zinc/56/99/39/495569939.db2.gz HEEFJBAPYDYUSS-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000158695146 495569942 /nfs/dbraw/zinc/56/99/42/495569942.db2.gz HEEFJBAPYDYUSS-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000158695146 495569949 /nfs/dbraw/zinc/56/99/49/495569949.db2.gz HEEFJBAPYDYUSS-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000173561403 495588722 /nfs/dbraw/zinc/58/87/22/495588722.db2.gz SAIYCMKDUDJYGW-QUCCMNQESA-N 2 1 373.566 3.438 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474795 495605918 /nfs/dbraw/zinc/60/59/18/495605918.db2.gz LCPSMYLBQVKGAY-RTWAWAEBSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474795 495605925 /nfs/dbraw/zinc/60/59/25/495605925.db2.gz LCPSMYLBQVKGAY-RTWAWAEBSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+]1CC[C@@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474795 495605931 /nfs/dbraw/zinc/60/59/31/495605931.db2.gz LCPSMYLBQVKGAY-RTWAWAEBSA-N 2 1 370.541 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674099 495673695 /nfs/dbraw/zinc/67/36/95/495673695.db2.gz NHUFSAYUFYLADB-GHTZIAJQSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000159211947 495684730 /nfs/dbraw/zinc/68/47/30/495684730.db2.gz UWNJQLSJBLGOQT-HXUWFJFHSA-N 2 1 360.477 3.166 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C ZINC000159211947 495684734 /nfs/dbraw/zinc/68/47/34/495684734.db2.gz UWNJQLSJBLGOQT-HXUWFJFHSA-N 2 1 360.477 3.166 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701957 495687557 /nfs/dbraw/zinc/68/75/57/495687557.db2.gz YUOXFKKSJZKDBP-DLBZAZTESA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701957 495687564 /nfs/dbraw/zinc/68/75/64/495687564.db2.gz YUOXFKKSJZKDBP-DLBZAZTESA-N 2 1 361.505 3.027 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746744 495708316 /nfs/dbraw/zinc/70/83/16/495708316.db2.gz AJHLGCQBOPYODZ-UYAOXDASSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746744 495708322 /nfs/dbraw/zinc/70/83/22/495708322.db2.gz AJHLGCQBOPYODZ-UYAOXDASSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000182846277 495726492 /nfs/dbraw/zinc/72/64/92/495726492.db2.gz RNBXHIXRRJOJIN-UHFFFAOYSA-N 2 1 354.498 3.096 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185789521 495726929 /nfs/dbraw/zinc/72/69/29/495726929.db2.gz JUJSAMATHLLCPU-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894827 495736827 /nfs/dbraw/zinc/73/68/27/495736827.db2.gz ZTKONHVLBGQXOY-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894827 495736833 /nfs/dbraw/zinc/73/68/33/495736833.db2.gz ZTKONHVLBGQXOY-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894827 495736839 /nfs/dbraw/zinc/73/68/39/495736839.db2.gz ZTKONHVLBGQXOY-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894827 495736844 /nfs/dbraw/zinc/73/68/44/495736844.db2.gz ZTKONHVLBGQXOY-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP Cc1ccncc1CCC[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000574559032 505801187 /nfs/dbraw/zinc/80/11/87/505801187.db2.gz QYYLZLIAKLXUIO-QHCPKHFHSA-N 2 1 366.553 3.291 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574569593 505804932 /nfs/dbraw/zinc/80/49/32/505804932.db2.gz WCZGGSCVYHGKIN-NRFANRHFSA-N 2 1 368.525 3.101 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000174114851 495826180 /nfs/dbraw/zinc/82/61/80/495826180.db2.gz XXOTYLQDMWSMAQ-OAQYLSRUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000174208722 495864018 /nfs/dbraw/zinc/86/40/18/495864018.db2.gz NDQXJCNVUYPSIP-NQIIRXRSSA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000174208722 495864024 /nfs/dbraw/zinc/86/40/24/495864024.db2.gz NDQXJCNVUYPSIP-NQIIRXRSSA-N 2 1 356.510 3.243 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(F)c1F ZINC000183254731 495902722 /nfs/dbraw/zinc/90/27/22/495902722.db2.gz QFKVFGMXRPWYMV-AWEZNQCLSA-N 2 1 361.436 3.107 20 0 FGADMP CC[C@@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000151655487 495908436 /nfs/dbraw/zinc/90/84/36/495908436.db2.gz VWFLQCANOGFUEB-KRWDZBQOSA-N 2 1 363.933 3.409 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000571773782 505812219 /nfs/dbraw/zinc/81/22/19/505812219.db2.gz BQXRBXBMOUQBJV-ROUUACIJSA-N 2 1 354.841 3.163 20 0 FGADMP C[C@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000571772384 505812453 /nfs/dbraw/zinc/81/24/53/505812453.db2.gz QKVDHYHFADAGFZ-MGPUTAFESA-N 2 1 350.466 3.074 20 0 FGADMP CCN1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174531849 495997404 /nfs/dbraw/zinc/99/74/04/495997404.db2.gz QKLGUPLXALKTLX-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP CC[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000174531849 495997410 /nfs/dbraw/zinc/99/74/10/495997410.db2.gz QKLGUPLXALKTLX-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP CC[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000174531849 495997417 /nfs/dbraw/zinc/99/74/17/495997417.db2.gz QKLGUPLXALKTLX-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP CC[NH+]1CCO[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174531849 495997422 /nfs/dbraw/zinc/99/74/22/495997422.db2.gz QKLGUPLXALKTLX-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP CC[NH+]1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174531849 495997428 /nfs/dbraw/zinc/99/74/28/495997428.db2.gz QKLGUPLXALKTLX-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000183495919 496008047 /nfs/dbraw/zinc/00/80/47/496008047.db2.gz ZFRZBGXBWPISGO-KNQAVFIVSA-N 3 1 359.558 3.024 20 0 FGADMP CCN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000183495919 496008054 /nfs/dbraw/zinc/00/80/54/496008054.db2.gz ZFRZBGXBWPISGO-KNQAVFIVSA-N 2 1 359.558 3.024 20 0 FGADMP Cn1nc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c2ccccc21 ZINC000186477964 496013009 /nfs/dbraw/zinc/01/30/09/496013009.db2.gz VGTHWVLAVRSHRM-UHFFFAOYSA-N 2 1 362.521 3.413 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000183553912 496029189 /nfs/dbraw/zinc/02/91/89/496029189.db2.gz XLYXNBSKDMBHQQ-GCJKJVERSA-N 2 1 370.541 3.053 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000174691510 496064009 /nfs/dbraw/zinc/06/40/09/496064009.db2.gz LKVAKLQDERRQCI-VTHDOGFWSA-N 2 1 372.557 3.384 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)CC2(O)CCCC2)c1)CC1(O)CCCC1 ZINC000152226212 496087045 /nfs/dbraw/zinc/08/70/45/496087045.db2.gz MNCLYTSNPRJCHI-UHFFFAOYSA-N 2 1 360.542 3.160 20 0 FGADMP C[NH+](C)C[C@@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000174851772 496134060 /nfs/dbraw/zinc/13/40/60/496134060.db2.gz CUDIBAYRPVOELJ-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc(C)nc3C)CC2)cs1 ZINC000161719688 496227265 /nfs/dbraw/zinc/22/72/65/496227265.db2.gz DEPCGSYXBKEBTO-CYBMUJFWSA-N 2 1 359.543 3.421 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776190 496235924 /nfs/dbraw/zinc/23/59/24/496235924.db2.gz IETMZUHPKHEASP-QFBILLFUSA-N 2 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776190 496235929 /nfs/dbraw/zinc/23/59/29/496235929.db2.gz IETMZUHPKHEASP-QFBILLFUSA-N 3 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](CC)C[C@@H]3C)CC2)cs1 ZINC000161776190 496235937 /nfs/dbraw/zinc/23/59/37/496235937.db2.gz IETMZUHPKHEASP-QFBILLFUSA-N 3 1 364.603 3.237 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000187018575 496254444 /nfs/dbraw/zinc/25/44/44/496254444.db2.gz VYQQGZXCEKYOAO-HBFSDRIKSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000187018575 496254447 /nfs/dbraw/zinc/25/44/47/496254447.db2.gz VYQQGZXCEKYOAO-HBFSDRIKSA-N 2 1 361.530 3.049 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000177987047 496277047 /nfs/dbraw/zinc/27/70/47/496277047.db2.gz UFLIKSSTMQEHNT-MRXNPFEDSA-N 2 1 371.319 3.221 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000177987047 496277043 /nfs/dbraw/zinc/27/70/43/496277043.db2.gz UFLIKSSTMQEHNT-MRXNPFEDSA-N 2 1 371.319 3.221 20 0 FGADMP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184189290 496279009 /nfs/dbraw/zinc/27/90/09/496279009.db2.gz JORZDQKZYOTEEG-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989919 505835075 /nfs/dbraw/zinc/83/50/75/505835075.db2.gz YUFVWPJIVFNMST-IRLDBZIGSA-N 2 1 354.494 3.024 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000577989919 505835078 /nfs/dbraw/zinc/83/50/78/505835078.db2.gz YUFVWPJIVFNMST-IRLDBZIGSA-N 2 1 354.494 3.024 20 0 FGADMP CN1c2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2CCC1=O ZINC000187172351 496323935 /nfs/dbraw/zinc/32/39/35/496323935.db2.gz CYTXGTZMKUZQAU-UHFFFAOYSA-N 2 1 355.526 3.340 20 0 FGADMP COc1cc(Br)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000172534445 496331555 /nfs/dbraw/zinc/33/15/55/496331555.db2.gz UPPIJGNFNXPPNW-UHFFFAOYSA-N 2 1 371.319 3.240 20 0 FGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000187229195 496349759 /nfs/dbraw/zinc/34/97/59/496349759.db2.gz KFAHTLDADWPCLK-NRFANRHFSA-N 2 1 369.509 3.084 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901348 496359831 /nfs/dbraw/zinc/35/98/31/496359831.db2.gz JCYNVROJVUMJKU-QAPCUYQASA-N 2 1 357.523 3.296 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178193195 496364343 /nfs/dbraw/zinc/36/43/43/496364343.db2.gz WNSQMEVWWHDWSV-LPHOPBHVSA-N 2 1 362.481 3.290 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156964609 496375405 /nfs/dbraw/zinc/37/54/05/496375405.db2.gz GXJUDMDAHQNMOX-APWZRJJASA-N 2 1 355.482 3.136 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156964609 496375407 /nfs/dbraw/zinc/37/54/07/496375407.db2.gz GXJUDMDAHQNMOX-APWZRJJASA-N 2 1 355.482 3.136 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000172722961 496402551 /nfs/dbraw/zinc/40/25/51/496402551.db2.gz UTKVENWVTVMTTA-QGZVFWFLSA-N 2 1 363.571 3.197 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC(=O)Nc3ccccc3)c2)CCO1 ZINC000580828611 505847413 /nfs/dbraw/zinc/84/74/13/505847413.db2.gz DOJZTLJXUIXUFQ-GOSISDBHSA-N 2 1 367.493 3.026 20 0 FGADMP CCOc1ccc(CN2CC[NH+](CCCCn3cc[nH+]c3C)CC2)cc1 ZINC000163429580 496515606 /nfs/dbraw/zinc/51/56/06/496515606.db2.gz GRGYUHZLBMUZJQ-UHFFFAOYSA-N 2 1 356.514 3.188 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000569087222 505849615 /nfs/dbraw/zinc/84/96/15/505849615.db2.gz HDXSSXAWNSEXOV-CJNGLKHVSA-N 2 1 365.905 3.140 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178690382 496541770 /nfs/dbraw/zinc/54/17/70/496541770.db2.gz VIQOEPZTUYJIFZ-AVRDEDQJSA-N 2 1 365.521 3.420 20 0 FGADMP Cc1ccc2nc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cn2c1 ZINC000175797977 496549408 /nfs/dbraw/zinc/54/94/08/496549408.db2.gz YVSOBJFXTMACFZ-OALUTQOASA-N 2 1 370.541 3.354 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580843185 505851662 /nfs/dbraw/zinc/85/16/62/505851662.db2.gz BMNHYRGSNJAEQP-HKUYNNGSSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000580843185 505851664 /nfs/dbraw/zinc/85/16/64/505851664.db2.gz BMNHYRGSNJAEQP-HKUYNNGSSA-N 2 1 367.896 3.261 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000184937249 496592076 /nfs/dbraw/zinc/59/20/76/496592076.db2.gz NATOOCHRTRTJRR-QGZVFWFLSA-N 2 1 360.523 3.009 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000153909356 496621379 /nfs/dbraw/zinc/62/13/79/496621379.db2.gz NIQZCMLZNVRRFC-IRXDYDNUSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158134608 496635289 /nfs/dbraw/zinc/63/52/89/496635289.db2.gz ULIMMLGCRQCRSK-KGLIPLIRSA-N 2 1 357.420 3.354 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCn2ccnc2C1 ZINC000578084519 505857741 /nfs/dbraw/zinc/85/77/41/505857741.db2.gz QZPQIMIZGWIREX-YJBOKZPZSA-N 2 1 372.900 3.052 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CC(C)(C)C1 ZINC000578088115 505858204 /nfs/dbraw/zinc/85/82/04/505858204.db2.gz UZWJBRYQILWZTB-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCOCC1 ZINC000188068657 496670198 /nfs/dbraw/zinc/67/01/98/496670198.db2.gz CTUISHJSUMTJOW-QFIPXVFZSA-N 2 1 372.509 3.443 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)CC[N@@H+](C)C3CC3)cc2)CC1 ZINC000185124915 496672084 /nfs/dbraw/zinc/67/20/84/496672084.db2.gz RSXRJMNLFFNYDW-UHFFFAOYSA-N 2 1 372.557 3.154 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000173393696 496672576 /nfs/dbraw/zinc/67/25/76/496672576.db2.gz PTYUDBLMAJYXIG-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179122403 496682749 /nfs/dbraw/zinc/68/27/49/496682749.db2.gz HHMWMWOJWOWXPL-NHCUHLMSSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000166500180 496687977 /nfs/dbraw/zinc/68/79/77/496687977.db2.gz WBOFTFYHDXUCHE-UTKZUKDTSA-N 2 1 351.494 3.030 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158380713 496689593 /nfs/dbraw/zinc/68/95/93/496689593.db2.gz HTDXBVAICWYVMR-KGLIPLIRSA-N 2 1 353.894 3.058 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000169096521 496715266 /nfs/dbraw/zinc/71/52/66/496715266.db2.gz WMXSVZGUSGDPNN-FHLIZLRMSA-N 2 1 355.448 3.352 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000169096521 496715271 /nfs/dbraw/zinc/71/52/71/496715271.db2.gz WMXSVZGUSGDPNN-FHLIZLRMSA-N 2 1 355.448 3.352 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000578105447 505862166 /nfs/dbraw/zinc/86/21/66/505862166.db2.gz CFMSXOYAEQZLFR-SIKLNZKXSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578105447 505862169 /nfs/dbraw/zinc/86/21/69/505862169.db2.gz CFMSXOYAEQZLFR-SIKLNZKXSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000578105447 505862172 /nfs/dbraw/zinc/86/21/72/505862172.db2.gz CFMSXOYAEQZLFR-SIKLNZKXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182345105 496730560 /nfs/dbraw/zinc/73/05/60/496730560.db2.gz ZWPMNHHKSFJTDA-HZPDHXFCSA-N 2 1 364.578 3.248 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246946063 496732782 /nfs/dbraw/zinc/73/27/82/496732782.db2.gz JBAFSRAPWCVEBA-RTBURBONSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000194847176 496734445 /nfs/dbraw/zinc/73/44/45/496734445.db2.gz OCSPEMRDEAJQHJ-PGRDOPGGSA-N 2 1 353.510 3.422 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056730 496765769 /nfs/dbraw/zinc/76/57/69/496765769.db2.gz ZNJXHCQOZZJWIG-MAUKXSAKSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056730 496765774 /nfs/dbraw/zinc/76/57/74/496765774.db2.gz ZNJXHCQOZZJWIG-MAUKXSAKSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)[C@@H](C)C1 ZINC000247056730 496765780 /nfs/dbraw/zinc/76/57/80/496765780.db2.gz ZNJXHCQOZZJWIG-MAUKXSAKSA-N 2 1 351.922 3.008 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000247067433 496769849 /nfs/dbraw/zinc/76/98/49/496769849.db2.gz OCVHOGCYVIKHJA-QKLQHJQFSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000247067433 496769852 /nfs/dbraw/zinc/76/98/52/496769852.db2.gz OCVHOGCYVIKHJA-QKLQHJQFSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000247077626 496772198 /nfs/dbraw/zinc/77/21/98/496772198.db2.gz XKGPYQXXPHNIQX-SQGPQFPESA-N 2 1 370.541 3.136 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748875 496772339 /nfs/dbraw/zinc/77/23/39/496772339.db2.gz GUQQNHDWJYHMIC-OXJNMPFZSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748875 496772346 /nfs/dbraw/zinc/77/23/46/496772346.db2.gz GUQQNHDWJYHMIC-OXJNMPFZSA-N 2 1 352.482 3.320 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000191474487 496775407 /nfs/dbraw/zinc/77/54/07/496775407.db2.gz QZNXNCVWSBVIGJ-INIZCTEOSA-N 2 1 374.554 3.192 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCc2sccc2C1 ZINC000191474487 496775412 /nfs/dbraw/zinc/77/54/12/496775412.db2.gz QZNXNCVWSBVIGJ-INIZCTEOSA-N 2 1 374.554 3.192 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2)CC2CCOCC2)CC1 ZINC000191490541 496780662 /nfs/dbraw/zinc/78/06/62/496780662.db2.gz HAVXNZGXNFYDAC-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000191493870 496782288 /nfs/dbraw/zinc/78/22/88/496782288.db2.gz GXYYDMJXHNMLLY-HNNXBMFYSA-N 2 1 353.470 3.155 20 0 FGADMP CCCn1ccnc1CCCN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000191493870 496782292 /nfs/dbraw/zinc/78/22/92/496782292.db2.gz GXYYDMJXHNMLLY-HNNXBMFYSA-N 2 1 353.470 3.155 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@H](C)C1 ZINC000268777930 496782762 /nfs/dbraw/zinc/78/27/62/496782762.db2.gz BBBMTLRUHNLBAI-UZLBHIALSA-N 2 1 352.482 3.154 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782525 496783631 /nfs/dbraw/zinc/78/36/31/496783631.db2.gz UNHOCCAWRWDCBU-UZLBHIALSA-N 2 1 352.482 3.177 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1)c1ccccc1 ZINC000247122572 496785698 /nfs/dbraw/zinc/78/56/98/496785698.db2.gz UUFAIBCCHJKLLU-WMQCIHAUSA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)c1ccccc1 ZINC000247122572 496785702 /nfs/dbraw/zinc/78/57/02/496785702.db2.gz UUFAIBCCHJKLLU-WMQCIHAUSA-N 2 1 357.542 3.244 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000191506120 496789014 /nfs/dbraw/zinc/78/90/14/496789014.db2.gz IOGUHUZUHGMTTA-IBGZPJMESA-N 2 1 372.488 3.492 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000191506120 496789021 /nfs/dbraw/zinc/78/90/21/496789021.db2.gz IOGUHUZUHGMTTA-IBGZPJMESA-N 2 1 372.488 3.492 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000191511445 496793081 /nfs/dbraw/zinc/79/30/81/496793081.db2.gz OHDNNBVUHGQWDW-MRXNPFEDSA-N 2 1 360.477 3.002 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1F ZINC000191511445 496793083 /nfs/dbraw/zinc/79/30/83/496793083.db2.gz OHDNNBVUHGQWDW-MRXNPFEDSA-N 2 1 360.477 3.002 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C(=O)N3CC[NH+](C)CC3)cc1)CC2 ZINC000268849845 496803281 /nfs/dbraw/zinc/80/32/81/496803281.db2.gz VZYAHUUQPHRZTE-JOCHJYFZSA-N 2 1 363.505 3.160 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC000268856250 496805302 /nfs/dbraw/zinc/80/53/02/496805302.db2.gz CQFUOSKDLXQHMB-ZYSHUDEJSA-N 2 1 354.498 3.478 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000268862734 496808003 /nfs/dbraw/zinc/80/80/03/496808003.db2.gz KBMQGPUXMLGCLB-CVEARBPZSA-N 2 1 352.486 3.376 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000247234494 496812093 /nfs/dbraw/zinc/81/20/93/496812093.db2.gz XEJPTVLDWGEVIM-BVYCBKJFSA-N 2 1 356.558 3.146 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000247234494 496812103 /nfs/dbraw/zinc/81/21/03/496812103.db2.gz XEJPTVLDWGEVIM-BVYCBKJFSA-N 2 1 356.558 3.146 20 0 FGADMP Brc1ccc2[nH+]ccc(NCC[N@@H+]3CCCOCC3)c2c1 ZINC000188501617 496812310 /nfs/dbraw/zinc/81/23/10/496812310.db2.gz IZBRPXGTVMXSRE-UHFFFAOYSA-N 2 1 350.260 3.132 20 0 FGADMP Brc1ccc2[nH+]ccc(NCC[N@H+]3CCCOCC3)c2c1 ZINC000188501617 496812312 /nfs/dbraw/zinc/81/23/12/496812312.db2.gz IZBRPXGTVMXSRE-UHFFFAOYSA-N 2 1 350.260 3.132 20 0 FGADMP Cc1cc(NC(=O)CC[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)no1 ZINC000264120843 496816778 /nfs/dbraw/zinc/81/67/78/496816778.db2.gz VGZHBUYUSLUKOR-UHFFFAOYSA-N 2 1 370.497 3.156 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000247323816 496835430 /nfs/dbraw/zinc/83/54/30/496835430.db2.gz LNTNPLHDYMPVPY-YOEHRIQHSA-N 2 1 355.320 3.337 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277644926 496839468 /nfs/dbraw/zinc/83/94/68/496839468.db2.gz YIJQUWMJYGIDQZ-INIZCTEOSA-N 2 1 355.482 3.241 20 0 FGADMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000247450385 496860826 /nfs/dbraw/zinc/86/08/26/496860826.db2.gz ZELBZDMANBQXNA-IRXDYDNUSA-N 2 1 370.497 3.101 20 0 FGADMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000247450385 496860834 /nfs/dbraw/zinc/86/08/34/496860834.db2.gz ZELBZDMANBQXNA-IRXDYDNUSA-N 2 1 370.497 3.101 20 0 FGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000247978525 496937005 /nfs/dbraw/zinc/93/70/05/496937005.db2.gz ICVNXVNPFDQCAM-HOTGVXAUSA-N 2 1 356.457 3.484 20 0 FGADMP CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248009992 496942808 /nfs/dbraw/zinc/94/28/08/496942808.db2.gz LEHJMGSNHMVDCW-HKBOAZHASA-N 2 1 357.542 3.306 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043583 496948054 /nfs/dbraw/zinc/94/80/54/496948054.db2.gz UJSBPJQXZPIVSN-QFUCXCTJSA-N 2 1 360.542 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269511850 496961901 /nfs/dbraw/zinc/96/19/01/496961901.db2.gz OVLGTQQWVSRYGJ-DUXKGJEZSA-N 2 1 351.494 3.103 20 0 FGADMP COc1cc(OC)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152742 496964601 /nfs/dbraw/zinc/96/46/01/496964601.db2.gz QYLBDYLPSZWTGK-GJZGRUSLSA-N 2 1 370.921 3.245 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155070 496965239 /nfs/dbraw/zinc/96/52/39/496965239.db2.gz RFWSYWOITGHKEE-HIFRSBDPSA-N 2 1 373.310 3.476 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000580955218 505876788 /nfs/dbraw/zinc/87/67/88/505876788.db2.gz RJFVSNPPSFGEAA-FCEWJHQRSA-N 2 1 372.538 3.015 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)CC2 ZINC000580955218 505876792 /nfs/dbraw/zinc/87/67/92/505876792.db2.gz RJFVSNPPSFGEAA-FCEWJHQRSA-N 2 1 372.538 3.015 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000278020517 496974622 /nfs/dbraw/zinc/97/46/22/496974622.db2.gz QCCIFFQQLFHBKW-UHFFFAOYSA-N 2 1 374.529 3.063 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000248402619 496996779 /nfs/dbraw/zinc/99/67/79/496996779.db2.gz VSWJQGFSIJAXTN-JROBLHLSSA-N 2 1 368.521 3.173 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)[C@H](C)C1 ZINC000248400459 496997146 /nfs/dbraw/zinc/99/71/46/496997146.db2.gz KUIQZUSEHQDCFX-XSYGEPLQSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[C@H](C)C1 ZINC000248400459 496997152 /nfs/dbraw/zinc/99/71/52/496997152.db2.gz KUIQZUSEHQDCFX-XSYGEPLQSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[C@H](C)C1 ZINC000248400459 496997158 /nfs/dbraw/zinc/99/71/58/496997158.db2.gz KUIQZUSEHQDCFX-XSYGEPLQSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418791 497004841 /nfs/dbraw/zinc/00/48/41/497004841.db2.gz TZHZAYOXYRPJRU-RABNCREUSA-N 2 1 364.533 3.479 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532635 497032366 /nfs/dbraw/zinc/03/23/66/497032366.db2.gz YPAAEZGVNNHKAC-RTBURBONSA-N 2 1 366.571 3.259 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000265024591 497033183 /nfs/dbraw/zinc/03/31/83/497033183.db2.gz JNJTXZIHOQSQHL-LJQANCHMSA-N 2 1 365.521 3.166 20 0 FGADMP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000269973182 497034959 /nfs/dbraw/zinc/03/49/59/497034959.db2.gz OUZNOCZXTHIANO-HRCADAONSA-N 2 1 369.431 3.380 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248721772 497088367 /nfs/dbraw/zinc/08/83/67/497088367.db2.gz FXOLUGIETRMGQZ-LNRXMEIDSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248721772 497088369 /nfs/dbraw/zinc/08/83/69/497088369.db2.gz FXOLUGIETRMGQZ-LNRXMEIDSA-N 2 1 370.537 3.215 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000248730993 497091350 /nfs/dbraw/zinc/09/13/50/497091350.db2.gz LBQGOBCCJWYXJT-LNRXMEIDSA-N 2 1 370.537 3.081 20 0 FGADMP c1c(CC[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432727 497097314 /nfs/dbraw/zinc/09/73/14/497097314.db2.gz WBOFHUZSWNXKFS-SXLOBPIMSA-N 2 1 368.550 3.032 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248822147 497109919 /nfs/dbraw/zinc/10/99/19/497109919.db2.gz XTSJLGMJHIWRGA-YUMYIRISSA-N 2 1 354.538 3.488 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236831176 497152901 /nfs/dbraw/zinc/15/29/01/497152901.db2.gz JFGLJXHCSQJGGP-ROUUACIJSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236831176 497152903 /nfs/dbraw/zinc/15/29/03/497152903.db2.gz JFGLJXHCSQJGGP-ROUUACIJSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000249044938 497153938 /nfs/dbraw/zinc/15/39/38/497153938.db2.gz VSGAQPBJBAJZIP-QOXZHXANSA-N 2 1 371.569 3.271 20 0 FGADMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236876790 497161278 /nfs/dbraw/zinc/16/12/78/497161278.db2.gz UDMNNHDXYNILFA-HYVNUMGLSA-N 2 1 371.447 3.332 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC1 ZINC000249215025 497181472 /nfs/dbraw/zinc/18/14/72/497181472.db2.gz DTQRJRABYPYYNW-RXVVDRJESA-N 2 1 363.521 3.004 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC1 ZINC000249215025 497181474 /nfs/dbraw/zinc/18/14/74/497181474.db2.gz DTQRJRABYPYYNW-RXVVDRJESA-N 2 1 363.521 3.004 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1n1ccnc1 ZINC000249251456 497183411 /nfs/dbraw/zinc/18/34/11/497183411.db2.gz CCHUBSWLCBIPPE-OXJNMPFZSA-N 2 1 353.445 3.350 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000278701722 497193668 /nfs/dbraw/zinc/19/36/68/497193668.db2.gz LBTLIRQDILQGAK-OWZKRDHZSA-N 2 1 355.526 3.078 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192738729 497199956 /nfs/dbraw/zinc/19/99/56/497199956.db2.gz OMUZSQKTERXZIM-RZUBCFFCSA-N 2 1 359.558 3.253 20 0 FGADMP CC[C@]1(CO)CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@]1(CC)CO ZINC000189671203 497205273 /nfs/dbraw/zinc/20/52/73/497205273.db2.gz WVEGMRVDPPONDS-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP CC[C@]1(CO)CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@@]1(CC)CO ZINC000189671203 497205275 /nfs/dbraw/zinc/20/52/75/497205275.db2.gz WVEGMRVDPPONDS-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP CC[C@]1(CO)CCC[N@@H+]1Cc1ccccc1C[NH+]1CCC[C@@]1(CC)CO ZINC000189671203 497205277 /nfs/dbraw/zinc/20/52/77/497205277.db2.gz WVEGMRVDPPONDS-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574963120 505892081 /nfs/dbraw/zinc/89/20/81/505892081.db2.gz ZXPMNIPBCRAIMU-CEWLAPEOSA-N 2 1 363.505 3.292 20 0 FGADMP COc1ccc(Cl)cc1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000270901342 497223139 /nfs/dbraw/zinc/22/31/39/497223139.db2.gz MNNFKXSFZHMPJZ-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014598 497232627 /nfs/dbraw/zinc/23/26/27/497232627.db2.gz UJSBQLHMCRVREE-GHTZIAJQSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000237432143 497235164 /nfs/dbraw/zinc/23/51/64/497235164.db2.gz PRSJAIHNEDABEB-DNVCBOLYSA-N 2 1 357.885 3.245 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237473131 497242476 /nfs/dbraw/zinc/24/24/76/497242476.db2.gz QQOUPJYUWUKKEO-QGZVFWFLSA-N 2 1 351.494 3.307 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000249771823 497246521 /nfs/dbraw/zinc/24/65/21/497246521.db2.gz SZZRQQIBWVGPCU-KGVIQGDOSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000249771823 497246528 /nfs/dbraw/zinc/24/65/28/497246528.db2.gz SZZRQQIBWVGPCU-KGVIQGDOSA-N 2 1 365.521 3.481 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192932016 497251407 /nfs/dbraw/zinc/25/14/07/497251407.db2.gz LCNUPBRFIOJSEH-OAQYLSRUSA-N 2 1 350.510 3.294 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@H](C)c3ccco3)CC2)cc1 ZINC000249827599 497251585 /nfs/dbraw/zinc/25/15/85/497251585.db2.gz LTOLCWZCJFSZBW-LJQANCHMSA-N 2 1 369.509 3.315 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237563904 497255524 /nfs/dbraw/zinc/25/55/24/497255524.db2.gz PSTHZMKRKNKTOS-MOXQZVSFSA-N 2 1 365.521 3.492 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000278889575 497256502 /nfs/dbraw/zinc/25/65/02/497256502.db2.gz HSXTUWHXBRQPLY-YSIASYRMSA-N 2 1 357.498 3.256 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000278889575 497256505 /nfs/dbraw/zinc/25/65/05/497256505.db2.gz HSXTUWHXBRQPLY-YSIASYRMSA-N 2 1 357.498 3.256 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)nc(C)n1 ZINC000574972570 505894796 /nfs/dbraw/zinc/89/47/96/505894796.db2.gz VTGLPHULSQFSQN-SFTDATJTSA-N 2 1 365.525 3.145 20 0 FGADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000574972489 505894907 /nfs/dbraw/zinc/89/49/07/505894907.db2.gz KXMMCBFSMFDCQC-PLACYPQZSA-N 2 1 354.498 3.206 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277934 505895060 /nfs/dbraw/zinc/89/50/60/505895060.db2.gz NUAUMKPVSNJVFG-HKBOAZHASA-N 2 1 364.505 3.118 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000574975681 505895661 /nfs/dbraw/zinc/89/56/61/505895661.db2.gz SLAYCTMVVZGRAB-SFHVURJKSA-N 2 1 360.546 3.248 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000251654902 497280138 /nfs/dbraw/zinc/28/01/38/497280138.db2.gz JUJSAMATHLLCPU-QYZOEREBSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ncc(Br)cc1F ZINC000278955908 497281332 /nfs/dbraw/zinc/28/13/32/497281332.db2.gz LUXNLZBIDLIGAN-MNOVXSKESA-N 2 1 353.239 3.093 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)nnn1-c1cccc(Cl)c1 ZINC000278976079 497288587 /nfs/dbraw/zinc/28/85/87/497288587.db2.gz OESQEYQQMBLEAI-UKRRQHHQSA-N 2 1 370.888 3.339 20 0 FGADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000193077914 497295620 /nfs/dbraw/zinc/29/56/20/497295620.db2.gz BHLQJBMHOSNHSM-INIZCTEOSA-N 2 1 363.933 3.325 20 0 FGADMP CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052231 497316903 /nfs/dbraw/zinc/31/69/03/497316903.db2.gz KFWMXPRQDDQTGG-UZLBHIALSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052231 497316907 /nfs/dbraw/zinc/31/69/07/497316907.db2.gz KFWMXPRQDDQTGG-UZLBHIALSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052231 497316915 /nfs/dbraw/zinc/31/69/15/497316915.db2.gz KFWMXPRQDDQTGG-UZLBHIALSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052231 497316922 /nfs/dbraw/zinc/31/69/22/497316922.db2.gz KFWMXPRQDDQTGG-UZLBHIALSA-N 2 1 352.482 3.040 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cn1cccn1 ZINC000279067032 497322656 /nfs/dbraw/zinc/32/26/56/497322656.db2.gz ZTADCSXKJSVXLU-SJORKVTESA-N 2 1 365.481 3.050 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000253355740 497326342 /nfs/dbraw/zinc/32/63/42/497326342.db2.gz GMZDLODJMRGRRC-WMZOPIPTSA-N 2 1 367.331 3.263 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066810 497344329 /nfs/dbraw/zinc/34/43/29/497344329.db2.gz PHDYWRCWZTWVPV-GOSISDBHSA-N 2 1 371.529 3.058 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245202679 497377045 /nfs/dbraw/zinc/37/70/45/497377045.db2.gz VMLNAAAXGKXYOH-XWTMOSNGSA-N 2 1 363.571 3.338 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245202679 497377052 /nfs/dbraw/zinc/37/70/52/497377052.db2.gz VMLNAAAXGKXYOH-XWTMOSNGSA-N 2 1 363.571 3.338 20 0 FGADMP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000193474508 497390485 /nfs/dbraw/zinc/39/04/85/497390485.db2.gz NTCUTDUUVMJYIV-INIZCTEOSA-N 2 1 364.921 3.262 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412165 497393557 /nfs/dbraw/zinc/39/35/57/497393557.db2.gz ABZAXLHVKBCWEN-NQIIRXRSSA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412165 497393560 /nfs/dbraw/zinc/39/35/60/497393560.db2.gz ABZAXLHVKBCWEN-NQIIRXRSSA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412165 497393564 /nfs/dbraw/zinc/39/35/64/497393564.db2.gz ABZAXLHVKBCWEN-NQIIRXRSSA-N 2 1 357.542 3.234 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245443323 497409803 /nfs/dbraw/zinc/40/98/03/497409803.db2.gz IRDQWBANJOLTSI-PZJWPPBQSA-N 2 1 357.542 3.087 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457135 497416800 /nfs/dbraw/zinc/41/68/00/497416800.db2.gz UEDRPJOCORKLPS-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457135 497416805 /nfs/dbraw/zinc/41/68/05/497416805.db2.gz UEDRPJOCORKLPS-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457135 497416807 /nfs/dbraw/zinc/41/68/07/497416807.db2.gz UEDRPJOCORKLPS-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457135 497416812 /nfs/dbraw/zinc/41/68/12/497416812.db2.gz UEDRPJOCORKLPS-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(F)c1 ZINC000193661927 497440970 /nfs/dbraw/zinc/44/09/70/497440970.db2.gz ZTAXKRCXKWRLOH-UHFFFAOYSA-N 2 1 369.484 3.170 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccc(F)c1 ZINC000193661927 497440976 /nfs/dbraw/zinc/44/09/76/497440976.db2.gz ZTAXKRCXKWRLOH-UHFFFAOYSA-N 2 1 369.484 3.170 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000279472346 497448481 /nfs/dbraw/zinc/44/84/81/497448481.db2.gz KCMCMMDQSAECRX-WTNAPCKOSA-N 2 1 354.494 3.119 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000279472356 497448822 /nfs/dbraw/zinc/44/88/22/497448822.db2.gz KCMCMMDQSAECRX-YHYVQYDKSA-N 2 1 354.494 3.119 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193716929 497457287 /nfs/dbraw/zinc/45/72/87/497457287.db2.gz JIHLQXBQVUZKRZ-FQEVSTJZSA-N 2 1 366.509 3.392 20 0 FGADMP C[N@H+]1CC=C(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000271819447 497459751 /nfs/dbraw/zinc/45/97/51/497459751.db2.gz MQUWOHDIFZFLIV-UHFFFAOYSA-N 2 1 361.287 3.191 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000271819447 497459755 /nfs/dbraw/zinc/45/97/55/497459755.db2.gz MQUWOHDIFZFLIV-UHFFFAOYSA-N 2 1 361.287 3.191 20 0 FGADMP C[C@@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000275973234 497472847 /nfs/dbraw/zinc/47/28/47/497472847.db2.gz NSTGYAGRPOBZGW-GOSISDBHSA-N 2 1 355.526 3.055 20 0 FGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccccc1I ZINC000271911546 497486114 /nfs/dbraw/zinc/48/61/14/497486114.db2.gz YAUZUQDBTKPNQP-LBPRGKRZSA-N 2 1 356.251 3.204 20 0 FGADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000190457977 497486328 /nfs/dbraw/zinc/48/63/28/497486328.db2.gz LNJMDKRMUBYGBV-KRWDZBQOSA-N 2 1 361.559 3.258 20 0 FGADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000190457977 497486334 /nfs/dbraw/zinc/48/63/34/497486334.db2.gz LNJMDKRMUBYGBV-KRWDZBQOSA-N 2 1 361.559 3.258 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261992470 497488654 /nfs/dbraw/zinc/48/86/54/497488654.db2.gz SMLSYUNUVOPCOD-JKSUJKDBSA-N 2 1 366.347 3.127 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261989320 497488989 /nfs/dbraw/zinc/48/89/89/497488989.db2.gz KDNIVYZLVYLIDW-JOCHJYFZSA-N 2 1 365.477 3.133 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261989320 497488993 /nfs/dbraw/zinc/48/89/93/497488993.db2.gz KDNIVYZLVYLIDW-JOCHJYFZSA-N 2 1 365.477 3.133 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000262048371 497499212 /nfs/dbraw/zinc/49/92/12/497499212.db2.gz PZZXCTNMHLCGIX-QGZVFWFLSA-N 2 1 358.404 3.212 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000262048371 497499218 /nfs/dbraw/zinc/49/92/18/497499218.db2.gz PZZXCTNMHLCGIX-QGZVFWFLSA-N 2 1 358.404 3.212 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC[C@H]21 ZINC000245723850 497517340 /nfs/dbraw/zinc/51/73/40/497517340.db2.gz BDBXLWWWOQRKHK-XWIAVFTESA-N 2 1 365.880 3.001 20 0 FGADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)ccc21 ZINC000262166926 497519403 /nfs/dbraw/zinc/51/94/03/497519403.db2.gz UKUAEOOSFBMFAH-LJQANCHMSA-N 2 1 362.521 3.294 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000245765173 497531875 /nfs/dbraw/zinc/53/18/75/497531875.db2.gz QQDOWVAZWVXXPQ-KNQAVFIVSA-N 2 1 357.542 3.218 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](COC)c2ccc(Cl)cc2)CC1 ZINC000193971502 497536113 /nfs/dbraw/zinc/53/61/13/497536113.db2.gz GKKBSVDAWUOZNK-LJQANCHMSA-N 2 1 353.938 3.035 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262403778 497550396 /nfs/dbraw/zinc/55/03/96/497550396.db2.gz PURISNVABHJQTL-UQASEVPWSA-N 2 1 352.482 3.138 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)cs1 ZINC000194027394 497551647 /nfs/dbraw/zinc/55/16/47/497551647.db2.gz AYQRMPVSYYQNHO-ZDUSSCGKSA-N 2 1 374.392 3.435 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441523 497552780 /nfs/dbraw/zinc/55/27/80/497552780.db2.gz CJMSDOZIBBWUJZ-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441523 497552786 /nfs/dbraw/zinc/55/27/86/497552786.db2.gz CJMSDOZIBBWUJZ-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656031 497593493 /nfs/dbraw/zinc/59/34/93/497593493.db2.gz MIMUULQJDLLERD-GHTZIAJQSA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000262656031 497593499 /nfs/dbraw/zinc/59/34/99/497593499.db2.gz MIMUULQJDLLERD-GHTZIAJQSA-N 2 1 351.494 3.118 20 0 FGADMP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000262670378 497595871 /nfs/dbraw/zinc/59/58/71/497595871.db2.gz NOMLEAVQFRNQKY-AMGDKJTDSA-N 2 1 369.553 3.324 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000246083651 497615698 /nfs/dbraw/zinc/61/56/98/497615698.db2.gz LFQCWQVZMYVINS-HZPDHXFCSA-N 2 1 357.502 3.271 20 0 FGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246083651 497615703 /nfs/dbraw/zinc/61/57/03/497615703.db2.gz LFQCWQVZMYVINS-HZPDHXFCSA-N 2 1 357.502 3.271 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246083651 497615709 /nfs/dbraw/zinc/61/57/09/497615709.db2.gz LFQCWQVZMYVINS-HZPDHXFCSA-N 2 1 357.502 3.271 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000572223219 505918409 /nfs/dbraw/zinc/91/84/09/505918409.db2.gz IOGBCBGPCPNKME-TZIWHRDSSA-N 2 1 374.573 3.273 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303728 497629244 /nfs/dbraw/zinc/62/92/44/497629244.db2.gz CTKZCFLBDUBYSO-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246127096 497631173 /nfs/dbraw/zinc/63/11/73/497631173.db2.gz WYQWBLJLCWZSIT-ZAAXVRCTSA-N 2 1 369.513 3.414 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246132466 497632126 /nfs/dbraw/zinc/63/21/26/497632126.db2.gz BBGRFBMUOVIIMV-DBXWQHBBSA-N 2 1 372.557 3.194 20 0 FGADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139468 497635043 /nfs/dbraw/zinc/63/50/43/497635043.db2.gz DBCXSSFZWCVEQO-GOEBONIOSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139468 497635045 /nfs/dbraw/zinc/63/50/45/497635045.db2.gz DBCXSSFZWCVEQO-GOEBONIOSA-N 2 1 373.324 3.151 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](COCC)C3)c2)C1 ZINC000246149226 497638829 /nfs/dbraw/zinc/63/88/29/497638829.db2.gz HCXRXZZUXUSDQW-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155052 497639776 /nfs/dbraw/zinc/63/97/76/497639776.db2.gz WHUOPOFIDLBMQG-AEFFLSMTSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155052 497639779 /nfs/dbraw/zinc/63/97/79/497639779.db2.gz WHUOPOFIDLBMQG-AEFFLSMTSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155052 497639784 /nfs/dbraw/zinc/63/97/84/497639784.db2.gz WHUOPOFIDLBMQG-AEFFLSMTSA-N 2 1 358.448 3.273 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000262928636 497658497 /nfs/dbraw/zinc/65/84/97/497658497.db2.gz SMEICFMDJSKYNS-AAIMPIBUSA-N 2 1 365.521 3.372 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccn3ccnc3c2)C1 ZINC000246280308 497682100 /nfs/dbraw/zinc/68/21/00/497682100.db2.gz UHBKNZGLBNKIIZ-IEBWSBKVSA-N 2 1 369.513 3.130 20 0 FGADMP COc1ccnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1OC ZINC000191034800 497688752 /nfs/dbraw/zinc/68/87/52/497688752.db2.gz ICRPYUHIBDLVBS-UHFFFAOYSA-N 2 1 370.497 3.232 20 0 FGADMP C[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272721687 497712223 /nfs/dbraw/zinc/71/22/23/497712223.db2.gz JFJFWRQYMBPSJD-IRXDYDNUSA-N 2 1 358.530 3.065 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272730715 497714917 /nfs/dbraw/zinc/71/49/17/497714917.db2.gz ILBQXRNQKYHDJP-SIKLNZKXSA-N 2 1 366.505 3.429 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c2)C[C@H](C)O1 ZINC000263145466 497716813 /nfs/dbraw/zinc/71/68/13/497716813.db2.gz CQXKJODTGLXXLP-MNDZRTMASA-N 2 1 359.514 3.142 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c2)C[C@H](C)O1 ZINC000263145466 497716820 /nfs/dbraw/zinc/71/68/20/497716820.db2.gz CQXKJODTGLXXLP-MNDZRTMASA-N 2 1 359.514 3.142 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246402904 497722321 /nfs/dbraw/zinc/72/23/21/497722321.db2.gz KADRFQKNWLKDDA-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263173543 497724330 /nfs/dbraw/zinc/72/43/30/497724330.db2.gz GAOHCAHYCPELCV-RQGSJKACSA-N 2 1 357.542 3.406 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246482369 497748467 /nfs/dbraw/zinc/74/84/67/497748467.db2.gz VULMOYJEQOFEDH-PXNSSMCTSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263288642 497750169 /nfs/dbraw/zinc/75/01/69/497750169.db2.gz VSJBNBJQPBCWBE-VCOUNFBDSA-N 2 1 365.521 3.003 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000246496975 497753609 /nfs/dbraw/zinc/75/36/09/497753609.db2.gz SFJVDPKVGJDYMX-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246505050 497755906 /nfs/dbraw/zinc/75/59/06/497755906.db2.gz STVPRECLRXBPJN-LESCRADOSA-N 2 1 374.447 3.056 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000194756315 497760941 /nfs/dbraw/zinc/76/09/41/497760941.db2.gz QFKSRINBYPDYKK-NHCUHLMSSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000194756315 497760949 /nfs/dbraw/zinc/76/09/49/497760949.db2.gz QFKSRINBYPDYKK-NHCUHLMSSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000194756315 497760953 /nfs/dbraw/zinc/76/09/53/497760953.db2.gz QFKSRINBYPDYKK-NHCUHLMSSA-N 2 1 369.553 3.279 20 0 FGADMP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246521260 497761578 /nfs/dbraw/zinc/76/15/78/497761578.db2.gz CEBWXGUOKOPKIC-WMZOPIPTSA-N 2 1 370.459 3.417 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246545599 497769756 /nfs/dbraw/zinc/76/97/56/497769756.db2.gz XXBLQHRSLFDVGH-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191312567 497777496 /nfs/dbraw/zinc/77/74/96/497777496.db2.gz ZMDRDQUPOPSZDK-UHFFFAOYSA-N 2 1 355.530 3.377 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191312567 497777499 /nfs/dbraw/zinc/77/74/99/497777499.db2.gz ZMDRDQUPOPSZDK-UHFFFAOYSA-N 2 1 355.530 3.377 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000578402797 505930843 /nfs/dbraw/zinc/93/08/43/505930843.db2.gz LESKYBMVNXPHII-MOPGFXCFSA-N 2 1 374.573 3.297 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000578402797 505930845 /nfs/dbraw/zinc/93/08/45/505930845.db2.gz LESKYBMVNXPHII-MOPGFXCFSA-N 2 1 374.573 3.297 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCc2csc([C@H](C)OC)n2)[C@H](C)C1 ZINC000246886909 497818833 /nfs/dbraw/zinc/81/88/33/497818833.db2.gz DRFBTPKVHPCAGV-VYDXJSESSA-N 2 1 355.548 3.077 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000246901093 497819585 /nfs/dbraw/zinc/81/95/85/497819585.db2.gz FHXRWMNIMCRFGO-MSOLQXFVSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246910662 497820050 /nfs/dbraw/zinc/82/00/50/497820050.db2.gz FWNPXHASBVRQIM-KURKYZTESA-N 2 1 362.514 3.215 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246943908 497821553 /nfs/dbraw/zinc/82/15/53/497821553.db2.gz HTKJYCXHNLXZDQ-SJORKVTESA-N 2 1 364.555 3.395 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000581223379 505936611 /nfs/dbraw/zinc/93/66/11/505936611.db2.gz OHJREPCJZYBDCX-KRWDZBQOSA-N 2 1 363.571 3.086 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000364247860 497860559 /nfs/dbraw/zinc/86/05/59/497860559.db2.gz PLAAUMMJHRFZJV-IBGZPJMESA-N 2 1 360.546 3.367 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000364247862 497860984 /nfs/dbraw/zinc/86/09/84/497860984.db2.gz PLAAUMMJHRFZJV-LJQANCHMSA-N 2 1 360.546 3.367 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292093302 497875039 /nfs/dbraw/zinc/87/50/39/497875039.db2.gz HBWHEJJCDSPBOR-GUYCJALGSA-N 2 1 355.404 3.060 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442254 505940711 /nfs/dbraw/zinc/94/07/11/505940711.db2.gz GHVVHSOHUKFMFR-FGZHOGPDSA-N 2 1 371.569 3.130 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442254 505940714 /nfs/dbraw/zinc/94/07/14/505940714.db2.gz GHVVHSOHUKFMFR-FGZHOGPDSA-N 2 1 371.569 3.130 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@H]21 ZINC000569487151 505946705 /nfs/dbraw/zinc/94/67/05/505946705.db2.gz FEMULMMWFBSUMK-JWUVWSEFSA-N 2 1 373.516 3.232 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@H]21 ZINC000569487151 505946707 /nfs/dbraw/zinc/94/67/07/505946707.db2.gz FEMULMMWFBSUMK-JWUVWSEFSA-N 2 1 373.516 3.232 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000280898721 497941996 /nfs/dbraw/zinc/94/19/96/497941996.db2.gz FPVMROPVLIMKKI-MYGLTJDJSA-N 2 1 355.526 3.030 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000330142566 498037407 /nfs/dbraw/zinc/03/74/07/498037407.db2.gz QRIJKZSOPIKWSA-RMJJICAUSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc[nH+]1 ZINC000330142566 498037410 /nfs/dbraw/zinc/03/74/10/498037410.db2.gz QRIJKZSOPIKWSA-RMJJICAUSA-N 2 1 373.545 3.013 20 0 FGADMP Cc1ccc(CN(C(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C2CC2)cc1 ZINC000285418319 498078867 /nfs/dbraw/zinc/07/88/67/498078867.db2.gz GKLBTVXYORLNFK-WCRBZPEASA-N 2 1 355.526 3.043 20 0 FGADMP CC[NH+](CC)[C@H](c1nc([C@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461611 498093129 /nfs/dbraw/zinc/09/31/29/498093129.db2.gz QSHWMNSLPLANLY-MSOLQXFVSA-N 2 1 358.486 3.283 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ncc(C)s2)cc1OC ZINC000296608187 498118592 /nfs/dbraw/zinc/11/85/92/498118592.db2.gz YZLNRPIRQZGAGE-UHFFFAOYSA-N 2 1 363.527 3.471 20 0 FGADMP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285547680 498125148 /nfs/dbraw/zinc/12/51/48/498125148.db2.gz QLIREMDUXZMGIC-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP C[NH+](CCc1nc(-c2cccc(Cl)c2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285547680 498125159 /nfs/dbraw/zinc/12/51/59/498125159.db2.gz QLIREMDUXZMGIC-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285547680 498125154 /nfs/dbraw/zinc/12/51/54/498125154.db2.gz QLIREMDUXZMGIC-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP C[NH+](CCc1nc(-c2cccc(Cl)c2)no1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285547680 498125167 /nfs/dbraw/zinc/12/51/67/498125167.db2.gz QLIREMDUXZMGIC-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP CC[C@@H](C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000572534514 505992023 /nfs/dbraw/zinc/99/20/23/505992023.db2.gz GSUCLYBMVHFHJK-RTWAWAEBSA-N 2 1 359.558 3.381 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486899 505999443 /nfs/dbraw/zinc/99/94/43/505999443.db2.gz INBXPRHVAXFWSU-QAPCUYQASA-N 2 1 371.447 3.334 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000360323257 498265064 /nfs/dbraw/zinc/26/50/64/498265064.db2.gz NULHFUPBUNKSHG-CTNGQTDRSA-N 2 1 358.526 3.002 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)CO[C@H]1CCCc3ccccc31)CC2 ZINC000360323257 498265072 /nfs/dbraw/zinc/26/50/72/498265072.db2.gz NULHFUPBUNKSHG-CTNGQTDRSA-N 2 1 358.526 3.002 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790278 498309798 /nfs/dbraw/zinc/30/97/98/498309798.db2.gz DJHJGXWRYBHPQO-KCZVDYSFSA-N 2 1 359.477 3.206 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790278 498309803 /nfs/dbraw/zinc/30/98/03/498309803.db2.gz DJHJGXWRYBHPQO-KCZVDYSFSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790278 498309812 /nfs/dbraw/zinc/30/98/12/498309812.db2.gz DJHJGXWRYBHPQO-KCZVDYSFSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790278 498309821 /nfs/dbraw/zinc/30/98/21/498309821.db2.gz DJHJGXWRYBHPQO-KCZVDYSFSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000286253692 498341158 /nfs/dbraw/zinc/34/11/58/498341158.db2.gz UOIGMKBQRGPJGR-XPPIMPSXSA-N 3 1 373.585 3.256 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCC[NH+]2CCC[C@@H]2CO)CC1 ZINC000286253692 498341151 /nfs/dbraw/zinc/34/11/51/498341151.db2.gz UOIGMKBQRGPJGR-XPPIMPSXSA-N 3 1 373.585 3.256 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000286253692 498341166 /nfs/dbraw/zinc/34/11/66/498341166.db2.gz UOIGMKBQRGPJGR-XPPIMPSXSA-N 3 1 373.585 3.256 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000297178013 498345469 /nfs/dbraw/zinc/34/54/69/498345469.db2.gz JNKQRFGFRJDRLT-UXDRXVOSSA-N 2 1 358.530 3.040 20 0 FGADMP Cc1cnn([C@@H]2CC[NH+](CCCCC[N@@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903330 498345905 /nfs/dbraw/zinc/34/59/05/498345905.db2.gz NNZJDZJIZISBGE-OYRHEFFESA-N 2 1 370.545 3.061 20 0 FGADMP Cc1cnn([C@@H]2CC[N@@H+](CCCCC[NH+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903330 498345912 /nfs/dbraw/zinc/34/59/12/498345912.db2.gz NNZJDZJIZISBGE-OYRHEFFESA-N 2 1 370.545 3.061 20 0 FGADMP Cc1cnn([C@@H]2CC[N@H+](CCCCC[NH+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903330 498345918 /nfs/dbraw/zinc/34/59/18/498345918.db2.gz NNZJDZJIZISBGE-OYRHEFFESA-N 2 1 370.545 3.061 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240279 498363805 /nfs/dbraw/zinc/36/38/05/498363805.db2.gz HOASYDPZJGZDMC-SIKLNZKXSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240279 498363813 /nfs/dbraw/zinc/36/38/13/498363813.db2.gz HOASYDPZJGZDMC-SIKLNZKXSA-N 2 1 360.542 3.320 20 0 FGADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000569809355 506021884 /nfs/dbraw/zinc/02/18/84/506021884.db2.gz GMIYJZYGFNWXCM-IEBWSBKVSA-N 2 1 372.557 3.388 20 0 FGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000361366743 498381005 /nfs/dbraw/zinc/38/10/05/498381005.db2.gz KPUGPMAXBVUKII-UHFFFAOYSA-N 2 1 372.557 3.017 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282166551 498408336 /nfs/dbraw/zinc/40/83/36/498408336.db2.gz UUTUXBVOUGLGSA-PXNSSMCTSA-N 2 1 364.493 3.352 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3cccnc3)no2)C1 ZINC000365352562 498420294 /nfs/dbraw/zinc/42/02/94/498420294.db2.gz ALHZUFWNKMAAIA-WIYYLYMNSA-N 2 1 369.513 3.217 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H](NC[C@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900790 498438117 /nfs/dbraw/zinc/43/81/17/498438117.db2.gz RIUCHQKBVGTOBT-YLJYHZDGSA-N 2 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900790 498438125 /nfs/dbraw/zinc/43/81/25/498438125.db2.gz RIUCHQKBVGTOBT-YLJYHZDGSA-N 3 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900790 498438128 /nfs/dbraw/zinc/43/81/28/498438128.db2.gz RIUCHQKBVGTOBT-YLJYHZDGSA-N 3 1 355.526 3.049 20 0 FGADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000362308596 498493584 /nfs/dbraw/zinc/49/35/84/498493584.db2.gz FVRQZOWBCJTGOX-UHFFFAOYSA-N 2 1 372.538 3.139 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1OC(F)F ZINC000282407085 498499554 /nfs/dbraw/zinc/49/95/54/498499554.db2.gz RZYBYHPBZGRLBH-CYBMUJFWSA-N 2 1 359.436 3.104 20 0 FGADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282516568 498542855 /nfs/dbraw/zinc/54/28/55/498542855.db2.gz ZJDUMNJBLYLPCS-SFHVURJKSA-N 2 1 374.573 3.143 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3CCC=CO3)CC2)c1C ZINC000290488578 498572140 /nfs/dbraw/zinc/57/21/40/498572140.db2.gz OLKOVYBYTFCSAS-IBGZPJMESA-N 2 1 359.514 3.296 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3CCC=CO3)CC2)c1C ZINC000290488578 498572147 /nfs/dbraw/zinc/57/21/47/498572147.db2.gz OLKOVYBYTFCSAS-IBGZPJMESA-N 2 1 359.514 3.296 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732904 506056206 /nfs/dbraw/zinc/05/62/06/506056206.db2.gz UZXOEAPGJVGFDE-SFHVURJKSA-N 2 1 367.484 3.286 20 0 FGADMP O=C1COc2ccc(CNC[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2N1 ZINC000294143253 498600811 /nfs/dbraw/zinc/60/08/11/498600811.db2.gz HNFMDYVQKANZHO-INIZCTEOSA-N 2 1 371.506 3.081 20 0 FGADMP O=C1COc2ccc(CNC[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2N1 ZINC000294143253 498600813 /nfs/dbraw/zinc/60/08/13/498600813.db2.gz HNFMDYVQKANZHO-INIZCTEOSA-N 2 1 371.506 3.081 20 0 FGADMP O=C1COc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2N1 ZINC000294143253 498600816 /nfs/dbraw/zinc/60/08/16/498600816.db2.gz HNFMDYVQKANZHO-INIZCTEOSA-N 2 1 371.506 3.081 20 0 FGADMP O=C1COc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2N1 ZINC000294143253 498600822 /nfs/dbraw/zinc/60/08/22/498600822.db2.gz HNFMDYVQKANZHO-INIZCTEOSA-N 2 1 371.506 3.081 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1=CC[N@@H+](C)CC1 ZINC000581813435 506067444 /nfs/dbraw/zinc/06/74/44/506067444.db2.gz HQLRALXWOWOOPB-CYBMUJFWSA-N 2 1 366.303 3.018 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827004 498656988 /nfs/dbraw/zinc/65/69/88/498656988.db2.gz RJHJCQYPBJTOPC-MXEMCNAFSA-N 2 1 356.510 3.457 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827006 498657524 /nfs/dbraw/zinc/65/75/24/498657524.db2.gz RJHJCQYPBJTOPC-PLACYPQZSA-N 2 1 356.510 3.457 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000290846537 498698084 /nfs/dbraw/zinc/69/80/84/498698084.db2.gz ZCIOWDSXPVFMMV-GOSISDBHSA-N 2 1 363.889 3.153 20 0 FGADMP CC[C@@H]1CCC[C@@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365950220 498708054 /nfs/dbraw/zinc/70/80/54/498708054.db2.gz XLHHFFMRNRRLMJ-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1)c1ccccc1 ZINC000298259016 498713129 /nfs/dbraw/zinc/71/31/29/498713129.db2.gz FILFGHUDTHDNAL-QFIPXVFZSA-N 2 1 369.553 3.388 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311816364 498753809 /nfs/dbraw/zinc/75/38/09/498753809.db2.gz MMQKTQQXAUCRFB-FXAWDEMLSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311816364 498753814 /nfs/dbraw/zinc/75/38/14/498753814.db2.gz MMQKTQQXAUCRFB-FXAWDEMLSA-N 2 1 352.478 3.458 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167746 498804157 /nfs/dbraw/zinc/80/41/57/498804157.db2.gz PIDKRZBWGPDQRU-SYYKKAFVSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000283167746 498804165 /nfs/dbraw/zinc/80/41/65/498804165.db2.gz PIDKRZBWGPDQRU-SYYKKAFVSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000283167746 498804170 /nfs/dbraw/zinc/80/41/70/498804170.db2.gz PIDKRZBWGPDQRU-SYYKKAFVSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1c(Cl)cccc1Cl ZINC000323901001 498825009 /nfs/dbraw/zinc/82/50/09/498825009.db2.gz QNIWXRHXVKYXPI-BETUJISGSA-N 2 1 356.297 3.253 20 0 FGADMP CCc1c2ccccc2oc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000294929174 498852222 /nfs/dbraw/zinc/85/22/22/498852222.db2.gz LHBKPIXARKGUSR-UHFFFAOYSA-N 2 1 357.498 3.093 20 0 FGADMP CCc1c2ccccc2oc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000294929174 498852225 /nfs/dbraw/zinc/85/22/25/498852225.db2.gz LHBKPIXARKGUSR-UHFFFAOYSA-N 2 1 357.498 3.093 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000363581379 498889156 /nfs/dbraw/zinc/88/91/56/498889156.db2.gz XDKGZHYLRYCOLS-SFHVURJKSA-N 2 1 361.534 3.053 20 0 FGADMP [NH3+]CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000570219777 506117458 /nfs/dbraw/zinc/11/74/58/506117458.db2.gz NKMBCRZEHUBIQO-INIZCTEOSA-N 2 1 356.297 3.160 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291957 506123341 /nfs/dbraw/zinc/12/33/41/506123341.db2.gz XVAAOEVRCRFBJE-GOSISDBHSA-N 2 1 355.457 3.348 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(C[NH+]4CCCC4)on3)ccc21 ZINC000576322536 506129957 /nfs/dbraw/zinc/12/99/57/506129957.db2.gz QESOEDLYJFNALR-LJQANCHMSA-N 2 1 354.454 3.072 20 0 FGADMP Cc1ccc2[nH]c([C@H]3CCC[N@@H+]3CCCN3CC[NH+](C(C)C)CC3)nc2c1 ZINC000295684347 499080021 /nfs/dbraw/zinc/08/00/21/499080021.db2.gz CQOZXKVCERIVBQ-OAQYLSRUSA-N 2 1 369.557 3.424 20 0 FGADMP Cc1ccc2nc([C@H]3CCC[N@H+]3CCCN3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000295684347 499080025 /nfs/dbraw/zinc/08/00/25/499080025.db2.gz CQOZXKVCERIVBQ-OAQYLSRUSA-N 2 1 369.557 3.424 20 0 FGADMP Cc1ccc2nc([C@H]3CCC[N@@H+]3CCCN3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000295684347 499080027 /nfs/dbraw/zinc/08/00/27/499080027.db2.gz CQOZXKVCERIVBQ-OAQYLSRUSA-N 2 1 369.557 3.424 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000576327807 506131315 /nfs/dbraw/zinc/13/13/15/506131315.db2.gz CBMXVFVAMWLOSY-PKOBYXMFSA-N 2 1 367.497 3.271 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4nn(C)cc43)CC2)cs1 ZINC000366857684 499096214 /nfs/dbraw/zinc/09/62/14/499096214.db2.gz LNXLEZOIDBTIEX-GOSISDBHSA-N 2 1 373.570 3.318 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c2C)cc1 ZINC000573167736 506134177 /nfs/dbraw/zinc/13/41/77/506134177.db2.gz VWJOCMMUZAMPLC-FQEVSTJZSA-N 2 1 370.541 3.377 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c2C)cc1 ZINC000573167736 506134180 /nfs/dbraw/zinc/13/41/80/506134180.db2.gz VWJOCMMUZAMPLC-FQEVSTJZSA-N 2 1 370.541 3.377 20 0 FGADMP Cc1ccc(CCCC(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000364175087 499127639 /nfs/dbraw/zinc/12/76/39/499127639.db2.gz HJIQRYWQGAQENB-SFHVURJKSA-N 2 1 363.571 3.006 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000372795635 499176216 /nfs/dbraw/zinc/17/62/16/499176216.db2.gz ADIAFLJHGMBWQB-SFHVURJKSA-N 2 1 359.562 3.306 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310755 499178904 /nfs/dbraw/zinc/17/89/04/499178904.db2.gz UYPKAJDWMRDTAD-AUUYWEPGSA-N 2 1 350.453 3.195 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@H](C)O1 ZINC000367438999 499199162 /nfs/dbraw/zinc/19/91/62/499199162.db2.gz QURGRWXBCGSRTI-IRXDYDNUSA-N 2 1 360.546 3.095 20 0 FGADMP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618192 499218670 /nfs/dbraw/zinc/21/86/70/499218670.db2.gz SBURSLOBGLDVIL-RBKXMNCYSA-N 3 1 372.601 3.045 20 0 FGADMP CCN1CCN([C@@H](C)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618192 499218671 /nfs/dbraw/zinc/21/86/71/499218671.db2.gz SBURSLOBGLDVIL-RBKXMNCYSA-N 2 1 372.601 3.045 20 0 FGADMP CCN1CCN([C@@H](C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618192 499218673 /nfs/dbraw/zinc/21/86/73/499218673.db2.gz SBURSLOBGLDVIL-RBKXMNCYSA-N 2 1 372.601 3.045 20 0 FGADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000367724815 499228396 /nfs/dbraw/zinc/22/83/96/499228396.db2.gz HQHTUDCFSGTSEM-RUZDIDTESA-N 2 1 356.535 3.319 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676625 499243419 /nfs/dbraw/zinc/24/34/19/499243419.db2.gz MOROMUSSFUTGSW-BPQIPLTHSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@@H](NC(=O)NCCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367932436 499246813 /nfs/dbraw/zinc/24/68/13/499246813.db2.gz RZXHESKHUDHUEN-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000367970828 499250836 /nfs/dbraw/zinc/25/08/36/499250836.db2.gz SMHUZEIDHWWOLX-QHCPKHFHSA-N 2 1 368.521 3.461 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367995222 499253195 /nfs/dbraw/zinc/25/31/95/499253195.db2.gz YDTRPUACEGBEEW-SFUIVIKGSA-N 2 1 362.489 3.301 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367995222 499253197 /nfs/dbraw/zinc/25/31/97/499253197.db2.gz YDTRPUACEGBEEW-SFUIVIKGSA-N 2 1 362.489 3.301 20 0 FGADMP COCCCn1nccc1CNC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368116232 499265916 /nfs/dbraw/zinc/26/59/16/499265916.db2.gz UJKQPBQJJOTMQD-NRFANRHFSA-N 2 1 370.541 3.312 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368116232 499265918 /nfs/dbraw/zinc/26/59/18/499265918.db2.gz UJKQPBQJJOTMQD-NRFANRHFSA-N 2 1 370.541 3.312 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368116232 499265920 /nfs/dbraw/zinc/26/59/20/499265920.db2.gz UJKQPBQJJOTMQD-NRFANRHFSA-N 2 1 370.541 3.312 20 0 FGADMP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000368319275 499284826 /nfs/dbraw/zinc/28/48/26/499284826.db2.gz WEBZPDWQGDFRRT-GBESFXJTSA-N 2 1 360.452 3.148 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C(C)(C)c3ccccc3)CC2)CC1 ZINC000371084941 499287184 /nfs/dbraw/zinc/28/71/84/499287184.db2.gz HZQWLLHKGKKZKK-UHFFFAOYSA-N 2 1 371.569 3.277 20 0 FGADMP C[C@]1(CN[C@@H](c2ncc[nH]2)c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368529487 499304821 /nfs/dbraw/zinc/30/48/21/499304821.db2.gz BTTBGNQKMZTVAZ-IFMALSPDSA-N 2 1 361.493 3.396 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 ZINC000371330631 499311032 /nfs/dbraw/zinc/31/10/32/499311032.db2.gz WEADRYBVAPTURR-FQEVSTJZSA-N 2 1 352.482 3.420 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nccn1CC(F)(F)F)CC2)C1CC1 ZINC000371329848 499311090 /nfs/dbraw/zinc/31/10/90/499311090.db2.gz OOHZRPCKCPFPPN-AWEZNQCLSA-N 2 1 356.436 3.142 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nccn1CC(F)(F)F)CC2)C1CC1 ZINC000371329849 499311328 /nfs/dbraw/zinc/31/13/28/499311328.db2.gz OOHZRPCKCPFPPN-CQSZACIVSA-N 2 1 356.436 3.142 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371373919 499316791 /nfs/dbraw/zinc/31/67/91/499316791.db2.gz OPYNEDGIBDYHRI-QGZVFWFLSA-N 2 1 370.497 3.232 20 0 FGADMP CC[N@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000371523186 499337934 /nfs/dbraw/zinc/33/79/34/499337934.db2.gz BXJVWUZRHWBQQX-KRWDZBQOSA-N 2 1 358.530 3.094 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000371523186 499337936 /nfs/dbraw/zinc/33/79/36/499337936.db2.gz BXJVWUZRHWBQQX-KRWDZBQOSA-N 2 1 358.530 3.094 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000371765732 499363407 /nfs/dbraw/zinc/36/34/07/499363407.db2.gz MRGNBKYVGITBSU-IBGZPJMESA-N 2 1 354.498 3.373 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000579317845 506145210 /nfs/dbraw/zinc/14/52/10/506145210.db2.gz PKPDZUWDYDGXPQ-QUCCMNQESA-N 2 1 372.582 3.433 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000369396914 499399477 /nfs/dbraw/zinc/39/94/77/499399477.db2.gz BPFMCBBZYFAPOA-HXUWFJFHSA-N 2 1 372.944 3.489 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCC3CCOCC3)CC2)CC1 ZINC000372128159 499401648 /nfs/dbraw/zinc/40/16/48/499401648.db2.gz JNFFZIGYAXSZSD-UHFFFAOYSA-N 2 1 365.606 3.321 20 0 FGADMP C[N@H+](CCCC1CCOCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372128159 499401649 /nfs/dbraw/zinc/40/16/49/499401649.db2.gz JNFFZIGYAXSZSD-UHFFFAOYSA-N 3 1 365.606 3.321 20 0 FGADMP C[N@@H+](CCCC1CCOCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372128159 499401650 /nfs/dbraw/zinc/40/16/50/499401650.db2.gz JNFFZIGYAXSZSD-UHFFFAOYSA-N 3 1 365.606 3.321 20 0 FGADMP CCN(CC)[C@@H](CNC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1ccco1 ZINC000372238641 499411764 /nfs/dbraw/zinc/41/17/64/499411764.db2.gz NLBMPQOUAVRXCD-IRXDYDNUSA-N 2 1 373.501 3.044 20 0 FGADMP CCn1c(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)nc2cc(F)ccc21 ZINC000372352932 499423981 /nfs/dbraw/zinc/42/39/81/499423981.db2.gz ASEGJHZGIJPJIY-CGTJXYLNSA-N 2 1 374.504 3.174 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000369767128 499441772 /nfs/dbraw/zinc/44/17/72/499441772.db2.gz QHKHLZNXFAHYHI-GCJKJVERSA-N 2 1 371.569 3.272 20 0 FGADMP C[NH+]1CCC(CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000373252300 499459951 /nfs/dbraw/zinc/45/99/51/499459951.db2.gz MNCWMVKAQPSTMB-SEJPIABJSA-N 2 1 355.526 3.030 20 0 FGADMP CCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000378370815 499508161 /nfs/dbraw/zinc/50/81/61/499508161.db2.gz MPGKXGUIFPHCQS-CMKODMSKSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000378370815 499508163 /nfs/dbraw/zinc/50/81/63/499508163.db2.gz MPGKXGUIFPHCQS-CMKODMSKSA-N 2 1 362.514 3.168 20 0 FGADMP O=C1O[C@@H](C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428023 499517514 /nfs/dbraw/zinc/51/75/14/499517514.db2.gz WMPUCDNTMCAZOE-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428023 499517515 /nfs/dbraw/zinc/51/75/15/499517515.db2.gz WMPUCDNTMCAZOE-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428023 499517516 /nfs/dbraw/zinc/51/75/16/499517516.db2.gz WMPUCDNTMCAZOE-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428023 499517517 /nfs/dbraw/zinc/51/75/17/499517517.db2.gz WMPUCDNTMCAZOE-CTNGQTDRSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1C ZINC000378514991 499526460 /nfs/dbraw/zinc/52/64/60/499526460.db2.gz GDYCXHXQWCGSAC-NEWSRXKRSA-N 2 1 372.557 3.434 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1C ZINC000378514991 499526461 /nfs/dbraw/zinc/52/64/61/499526461.db2.gz GDYCXHXQWCGSAC-NEWSRXKRSA-N 2 1 372.557 3.434 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)[N@H+](C)Cc1ccccc1 ZINC000379624739 499541917 /nfs/dbraw/zinc/54/19/17/499541917.db2.gz DYBNQEHAHLGIFU-MRXNPFEDSA-N 2 1 353.466 3.018 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)[N@@H+](C)Cc1ccccc1 ZINC000379624739 499541918 /nfs/dbraw/zinc/54/19/18/499541918.db2.gz DYBNQEHAHLGIFU-MRXNPFEDSA-N 2 1 353.466 3.018 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654145 499542450 /nfs/dbraw/zinc/54/24/50/499542450.db2.gz HMMJQFSPWWUINM-HOJAQTOUSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654145 499542452 /nfs/dbraw/zinc/54/24/52/499542452.db2.gz HMMJQFSPWWUINM-HOJAQTOUSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000382766716 499545944 /nfs/dbraw/zinc/54/59/44/499545944.db2.gz VYQZYAKNTYFJFW-XQBPLPMBSA-N 2 1 365.521 3.446 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000390886796 499556207 /nfs/dbraw/zinc/55/62/07/499556207.db2.gz WUUHVSYKVIZWLR-CTNGQTDRSA-N 2 1 372.509 3.047 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000390886796 499556208 /nfs/dbraw/zinc/55/62/08/499556208.db2.gz WUUHVSYKVIZWLR-CTNGQTDRSA-N 2 1 372.509 3.047 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000376059882 499579795 /nfs/dbraw/zinc/57/97/95/499579795.db2.gz YTBYNCWPUFWLKX-APWZRJJASA-N 2 1 354.498 3.057 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417074 499607268 /nfs/dbraw/zinc/60/72/68/499607268.db2.gz WLWXAYGQBROETK-NXHRZFHOSA-N 2 1 368.468 3.310 20 0 FGADMP CN(C)c1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000376971712 499650677 /nfs/dbraw/zinc/65/06/77/499650677.db2.gz MUYFCWGYTUGYGG-OAHLLOKOSA-N 2 1 367.522 3.425 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000411150072 499703310 /nfs/dbraw/zinc/70/33/10/499703310.db2.gz UWMQRDNNYUYGPI-LJQANCHMSA-N 2 1 355.482 3.298 20 0 FGADMP CN1CCN([C@@H]2CCCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377689440 499720326 /nfs/dbraw/zinc/72/03/26/499720326.db2.gz BPRPFOVBACTPDD-GOSISDBHSA-N 2 1 362.587 3.403 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377689440 499720328 /nfs/dbraw/zinc/72/03/28/499720328.db2.gz BPRPFOVBACTPDD-GOSISDBHSA-N 2 1 362.587 3.403 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306024 499724270 /nfs/dbraw/zinc/72/42/70/499724270.db2.gz KRPNSAGLYVMYBB-JOCHJYFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306024 499724272 /nfs/dbraw/zinc/72/42/72/499724272.db2.gz KRPNSAGLYVMYBB-JOCHJYFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306024 499724274 /nfs/dbraw/zinc/72/42/74/499724274.db2.gz KRPNSAGLYVMYBB-JOCHJYFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCC[N@H+](CCc1cncs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000411375388 499731124 /nfs/dbraw/zinc/73/11/24/499731124.db2.gz GQERUDKVAWHHHL-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP CCC[N@@H+](CCc1cncs1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000411375388 499731125 /nfs/dbraw/zinc/73/11/25/499731125.db2.gz GQERUDKVAWHHHL-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377928416 499748770 /nfs/dbraw/zinc/74/87/70/499748770.db2.gz YNUJXBXCUYARPK-OAQYLSRUSA-N 2 1 372.488 3.102 20 0 FGADMP c1cc(C[N@H+]2CCOCC3(CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411517153 499750509 /nfs/dbraw/zinc/75/05/09/499750509.db2.gz ZUPONVBZPGSLMV-UHFFFAOYSA-N 2 1 358.526 3.302 20 0 FGADMP Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000378037295 499755709 /nfs/dbraw/zinc/75/57/09/499755709.db2.gz FZVGPHSTLSJCAO-KTBYTZPXSA-N 2 1 355.526 3.025 20 0 FGADMP Cc1ccc(/C=C/CC(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000378037295 499755710 /nfs/dbraw/zinc/75/57/10/499755710.db2.gz FZVGPHSTLSJCAO-KTBYTZPXSA-N 2 1 355.526 3.025 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411638264 499771814 /nfs/dbraw/zinc/77/18/14/499771814.db2.gz ZTMQFOLIFMJDJH-RBUKOAKNSA-N 2 1 360.546 3.339 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000411638264 499771816 /nfs/dbraw/zinc/77/18/16/499771816.db2.gz ZTMQFOLIFMJDJH-RBUKOAKNSA-N 2 1 360.546 3.339 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cc1 ZINC000414281376 499773895 /nfs/dbraw/zinc/77/38/95/499773895.db2.gz FVIKKELYVCVCJP-KRWDZBQOSA-N 2 1 355.530 3.150 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000411665717 499775014 /nfs/dbraw/zinc/77/50/14/499775014.db2.gz BHMGEKKTYADWIG-KNQAVFIVSA-N 2 1 358.526 3.442 20 0 FGADMP Cc1occc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000414337196 499778924 /nfs/dbraw/zinc/77/89/24/499778924.db2.gz IQYOWAGXIQTOLY-UHFFFAOYSA-N 2 1 358.482 3.367 20 0 FGADMP CC(=O)NCC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411739507 499784831 /nfs/dbraw/zinc/78/48/31/499784831.db2.gz NOMZFVHHQWLJSH-HXUWFJFHSA-N 2 1 357.542 3.411 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000411804513 499792572 /nfs/dbraw/zinc/79/25/72/499792572.db2.gz RLSLMZVHIFSOIJ-DKUWSORSSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411804513 499792574 /nfs/dbraw/zinc/79/25/74/499792574.db2.gz RLSLMZVHIFSOIJ-DKUWSORSSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411804513 499792575 /nfs/dbraw/zinc/79/25/75/499792575.db2.gz RLSLMZVHIFSOIJ-DKUWSORSSA-N 2 1 364.574 3.408 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414529078 499803544 /nfs/dbraw/zinc/80/35/44/499803544.db2.gz PKZQANMJCDKJRM-YUMYIRISSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCO[C@@H](CC)C1 ZINC000414529078 499803545 /nfs/dbraw/zinc/80/35/45/499803545.db2.gz PKZQANMJCDKJRM-YUMYIRISSA-N 2 1 360.542 3.318 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411997461 499811530 /nfs/dbraw/zinc/81/15/30/499811530.db2.gz IAMLXJHOLZDUSK-NHCUHLMSSA-N 2 1 357.542 3.245 20 0 FGADMP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414708954 499821765 /nfs/dbraw/zinc/82/17/65/499821765.db2.gz QQIIQQHPLLMQGS-NRFANRHFSA-N 2 1 365.521 3.195 20 0 FGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752565 499826959 /nfs/dbraw/zinc/82/69/59/499826959.db2.gz UTTRMVMHUFIYAQ-WBVHZDCISA-N 2 1 350.482 3.033 20 0 FGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752565 499826960 /nfs/dbraw/zinc/82/69/60/499826960.db2.gz UTTRMVMHUFIYAQ-WBVHZDCISA-N 2 1 350.482 3.033 20 0 FGADMP CCC[N@@H+](C[C@H]1CC[NH2+][C@@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755161 499827259 /nfs/dbraw/zinc/82/72/59/499827259.db2.gz YZQLEODARXVCSQ-OALUTQOASA-N 2 1 357.542 3.391 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145880 499827834 /nfs/dbraw/zinc/82/78/34/499827834.db2.gz DJZOUGGKUHUQCR-HXUWFJFHSA-N 2 1 357.542 3.476 20 0 FGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788510 499831361 /nfs/dbraw/zinc/83/13/61/499831361.db2.gz WTVPPHCUVHPUAR-ZIAGYGMSSA-N 2 1 353.304 3.279 20 0 FGADMP COc1cc(Br)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1O ZINC000414810066 499833419 /nfs/dbraw/zinc/83/34/19/499833419.db2.gz NIUVIPGKNGEPCX-LLVKDONJSA-N 2 1 365.271 3.473 20 0 FGADMP COc1ccc([C@@H]2CCNC[C@H]2[NH2+]C/C=C\c2ccccc2OC)cc1 ZINC000414884332 499841382 /nfs/dbraw/zinc/84/13/82/499841382.db2.gz NRTZNWLRHDRSEP-GGQNEFSISA-N 2 1 352.478 3.452 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@]3(C)CCC[NH2+]C3)c2)cc1 ZINC000414919113 499844542 /nfs/dbraw/zinc/84/45/42/499844542.db2.gz WBITWBFFBFBWIU-JOCHJYFZSA-N 2 1 367.493 3.427 20 0 FGADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414928850 499845450 /nfs/dbraw/zinc/84/54/50/499845450.db2.gz NNOAWAPCQSNCRY-SFHVURJKSA-N 2 1 363.933 3.312 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414939828 499846644 /nfs/dbraw/zinc/84/66/44/499846644.db2.gz JWGLVYUUPUYJEB-LPHOPBHVSA-N 2 1 370.493 3.370 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414972642 499850059 /nfs/dbraw/zinc/85/00/59/499850059.db2.gz MQLKVMRFJFOZRO-HNNXBMFYSA-N 2 1 371.319 3.334 20 0 FGADMP c1nc(-c2ccccc2)sc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055834 499859072 /nfs/dbraw/zinc/85/90/72/499859072.db2.gz OYUWLXHQHXBAII-UHFFFAOYSA-N 2 1 356.539 3.116 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3Br)CC2)C1 ZINC000415126097 499867226 /nfs/dbraw/zinc/86/72/26/499867226.db2.gz PDLXMYLXNXSFBB-WBVHZDCISA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000415133712 499868425 /nfs/dbraw/zinc/86/84/25/499868425.db2.gz VLGDPZDFQSDSOP-DZGCQCFKSA-N 2 1 359.333 3.229 20 0 FGADMP C[C@H](c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000415188537 499874906 /nfs/dbraw/zinc/87/49/06/499874906.db2.gz VKNAZHGADZRTEN-OXQOHEQNSA-N 2 1 374.529 3.109 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000573294690 506164038 /nfs/dbraw/zinc/16/40/38/506164038.db2.gz LWDCWTFBDFUEEQ-LJQANCHMSA-N 2 1 362.876 3.378 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415880211 499923805 /nfs/dbraw/zinc/92/38/05/499923805.db2.gz FBRPUPGUNZHJOF-CALCHBBNSA-N 2 1 358.530 3.212 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000415911549 499927439 /nfs/dbraw/zinc/92/74/39/499927439.db2.gz JUIUTIJUNDBHER-IBGZPJMESA-N 2 1 366.509 3.092 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000415913616 499927767 /nfs/dbraw/zinc/92/77/67/499927767.db2.gz PYVKIOFXLMRUCM-LJQANCHMSA-N 2 1 352.482 3.192 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415922071 499928892 /nfs/dbraw/zinc/92/88/92/499928892.db2.gz NGVOGBYXLAVUAC-YLJYHZDGSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415922340 499928920 /nfs/dbraw/zinc/92/89/20/499928920.db2.gz SHPSVKBQFFUTDF-UWJYYQICSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415950698 499932433 /nfs/dbraw/zinc/93/24/33/499932433.db2.gz HQUCGBXDEQYGSE-PXNSSMCTSA-N 2 1 356.514 3.277 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000415958679 499933235 /nfs/dbraw/zinc/93/32/35/499933235.db2.gz MAHGQLACNGTUHU-BGYRXZFFSA-N 2 1 364.493 3.002 20 0 FGADMP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415964038 499934325 /nfs/dbraw/zinc/93/43/25/499934325.db2.gz VSUULWZWOFCIBN-FQEVSTJZSA-N 2 1 352.482 3.274 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415964981 499934523 /nfs/dbraw/zinc/93/45/23/499934523.db2.gz YXSXQGJYKOQHPM-NWDGAFQWSA-N 2 1 358.408 3.111 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000415984168 499937499 /nfs/dbraw/zinc/93/74/99/499937499.db2.gz OYCCYUJDRGJDKT-OXJNMPFZSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415991508 499938242 /nfs/dbraw/zinc/93/82/42/499938242.db2.gz PNVMBLWQOBSKAQ-HXUWFJFHSA-N 2 1 352.482 3.192 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582250013 506169524 /nfs/dbraw/zinc/16/95/24/506169524.db2.gz GGHKTGSOFGABDJ-UEXGIBASSA-N 2 1 357.542 3.268 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092369 500002276 /nfs/dbraw/zinc/00/22/76/500002276.db2.gz KDOLNGCUAJJELT-RXVVDRJESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092369 500002279 /nfs/dbraw/zinc/00/22/79/500002279.db2.gz KDOLNGCUAJJELT-RXVVDRJESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092369 500002283 /nfs/dbraw/zinc/00/22/83/500002283.db2.gz KDOLNGCUAJJELT-RXVVDRJESA-N 2 1 372.557 3.213 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429133013 500009209 /nfs/dbraw/zinc/00/92/09/500009209.db2.gz NSDOYHZBTOQBRQ-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP COC(=O)[C@@H]1C[N@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000429145587 500012754 /nfs/dbraw/zinc/01/27/54/500012754.db2.gz YPVGKKXNSCCEIQ-RBUKOAKNSA-N 2 1 364.917 3.404 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000429145587 500012757 /nfs/dbraw/zinc/01/27/57/500012757.db2.gz YPVGKKXNSCCEIQ-RBUKOAKNSA-N 2 1 364.917 3.404 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c[nH]nc3-c3ccsc3)CC2)CC1 ZINC000421368809 500028489 /nfs/dbraw/zinc/02/84/89/500028489.db2.gz GMQKACCNTWGYKW-UHFFFAOYSA-N 2 1 373.570 3.130 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000417398913 500061233 /nfs/dbraw/zinc/06/12/33/500061233.db2.gz IGTBJSNJVUOCDI-RTWAWAEBSA-N 2 1 372.557 3.202 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000417585540 500117911 /nfs/dbraw/zinc/11/79/11/500117911.db2.gz PIQXGVYUEBYVOZ-IAGOWNOFSA-N 2 1 360.546 3.406 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845409 500136988 /nfs/dbraw/zinc/13/69/88/500136988.db2.gz RRZCPDNDIFNFKP-LEWJYISDSA-N 2 1 366.509 3.040 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)c1ccccc1Cl ZINC000416861949 500140549 /nfs/dbraw/zinc/14/05/49/500140549.db2.gz XOBJZPWWNHZKKT-LJQANCHMSA-N 2 1 374.916 3.113 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(C)C ZINC000414101267 500153738 /nfs/dbraw/zinc/15/37/38/500153738.db2.gz BQSWKWACLHKKOX-VAMGGRTRSA-N 2 1 360.542 3.325 20 0 FGADMP COc1ccc([C@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CC2)c(F)c1 ZINC000421860068 500164921 /nfs/dbraw/zinc/16/49/21/500164921.db2.gz TZJWCPXQEVOLAU-OAQYLSRUSA-N 2 1 373.472 3.411 20 0 FGADMP COC1([C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000421876069 500168034 /nfs/dbraw/zinc/16/80/34/500168034.db2.gz YQEUCFFTPNFJCB-AYWYSENESA-N 2 1 358.526 3.356 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000416970830 500170897 /nfs/dbraw/zinc/17/08/97/500170897.db2.gz OIMRFSTZFBYVNW-SFHVURJKSA-N 2 1 370.541 3.028 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416973197 500171616 /nfs/dbraw/zinc/17/16/16/500171616.db2.gz UIEYFDWTHKVYHE-WIYYLYMNSA-N 2 1 374.573 3.433 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnnn2Cc2ccccc2)CC1 ZINC000430013054 500181176 /nfs/dbraw/zinc/18/11/76/500181176.db2.gz NYNKCWKRJUOJSH-UHFFFAOYSA-N 2 1 355.530 3.270 20 0 FGADMP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417989794 500210599 /nfs/dbraw/zinc/21/05/99/500210599.db2.gz JSGCYXFEAAASHM-FBBABVLZSA-N 2 1 372.557 3.419 20 0 FGADMP COc1cccc(CCC[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425941995 500214818 /nfs/dbraw/zinc/21/48/18/500214818.db2.gz DHGXTLMRESLBON-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP COc1cccc(CCC[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425941995 500214819 /nfs/dbraw/zinc/21/48/19/500214819.db2.gz DHGXTLMRESLBON-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP COc1cccc(CCC[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425941995 500214821 /nfs/dbraw/zinc/21/48/21/500214821.db2.gz DHGXTLMRESLBON-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP COc1cccc(CCC[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425941995 500214825 /nfs/dbraw/zinc/21/48/25/500214825.db2.gz DHGXTLMRESLBON-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418174845 500242608 /nfs/dbraw/zinc/24/26/08/500242608.db2.gz FGWCOXRPNCGJPP-QGZVFWFLSA-N 2 1 366.937 3.164 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174860 500242768 /nfs/dbraw/zinc/24/27/68/500242768.db2.gz FHIUSKUVSNDGET-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288634 500257079 /nfs/dbraw/zinc/25/70/79/500257079.db2.gz KIOLDJJFSHMMLN-GGPKGHCWSA-N 2 1 363.521 3.131 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000430584636 500258337 /nfs/dbraw/zinc/25/83/37/500258337.db2.gz VFDWLFHIPBTOMA-MRXNPFEDSA-N 2 1 361.555 3.225 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592883 500259751 /nfs/dbraw/zinc/25/97/51/500259751.db2.gz IMBLUYWQGWIGSH-DWRORGKVSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592883 500259755 /nfs/dbraw/zinc/25/97/55/500259755.db2.gz IMBLUYWQGWIGSH-DWRORGKVSA-N 2 1 353.510 3.465 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325646 500262522 /nfs/dbraw/zinc/26/25/22/500262522.db2.gz JKKXGOQLYHJPQB-VDGAXYAQSA-N 2 1 360.546 3.182 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000430685951 500269993 /nfs/dbraw/zinc/26/99/93/500269993.db2.gz KHRUOCGZHHFIDC-HXUWFJFHSA-N 2 1 353.466 3.320 20 0 FGADMP CCCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418386219 500270917 /nfs/dbraw/zinc/27/09/17/500270917.db2.gz MQEIYHBKZBZKSP-XVAXZDLZSA-N 2 1 372.557 3.343 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418435730 500276502 /nfs/dbraw/zinc/27/65/02/500276502.db2.gz IBGJRGMQWHFIPJ-IEBWSBKVSA-N 2 1 360.546 3.198 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418438976 500276717 /nfs/dbraw/zinc/27/67/17/500276717.db2.gz FQOVTGWKWLLBMO-UHFFFAOYSA-N 2 1 364.534 3.055 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422719440 500289115 /nfs/dbraw/zinc/28/91/15/500289115.db2.gz REIXVWBOQQNNIQ-VJBMBRPKSA-N 2 1 351.538 3.099 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727683 500290635 /nfs/dbraw/zinc/29/06/35/500290635.db2.gz DBUWVZOKMZWEHW-PKTZIBPZSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422734526 500291856 /nfs/dbraw/zinc/29/18/56/500291856.db2.gz TYSFNTAMXZZPDZ-WIYYLYMNSA-N 2 1 359.558 3.308 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422758143 500294354 /nfs/dbraw/zinc/29/43/54/500294354.db2.gz NOLMECKWILWVEQ-KJJMTIBFSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810562 500301211 /nfs/dbraw/zinc/30/12/11/500301211.db2.gz NQJMWHOZQQUKID-NQDIBGKZSA-N 3 1 371.569 3.306 20 0 FGADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810562 500301214 /nfs/dbraw/zinc/30/12/14/500301214.db2.gz NQJMWHOZQQUKID-NQDIBGKZSA-N 2 1 371.569 3.306 20 0 FGADMP CCOc1c(OC)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422836411 500304001 /nfs/dbraw/zinc/30/40/01/500304001.db2.gz KBCZTUHIIJWNCT-CRAIPNDOSA-N 2 1 358.482 3.151 20 0 FGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000422836816 500304372 /nfs/dbraw/zinc/30/43/72/500304372.db2.gz SEOCKDPBRRIZEI-JKSUJKDBSA-N 2 1 350.388 3.059 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855414 500306085 /nfs/dbraw/zinc/30/60/85/500306085.db2.gz DUCUYGADZJMHNB-RLLPEYFOSA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855414 500306087 /nfs/dbraw/zinc/30/60/87/500306087.db2.gz DUCUYGADZJMHNB-RLLPEYFOSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855414 500306089 /nfs/dbraw/zinc/30/60/89/500306089.db2.gz DUCUYGADZJMHNB-RLLPEYFOSA-N 2 1 371.569 3.165 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@@H](C)c3c[nH+]ccc3N)cc2c(OC)c1 ZINC000422865866 500307377 /nfs/dbraw/zinc/30/73/77/500307377.db2.gz PQCKDDSGKXNTST-ZDUSSCGKSA-N 2 1 354.454 3.276 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873642 500308379 /nfs/dbraw/zinc/30/83/79/500308379.db2.gz AVOWLUDHUZJMDP-BAYUQKDNSA-N 2 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873642 500308380 /nfs/dbraw/zinc/30/83/80/500308380.db2.gz AVOWLUDHUZJMDP-BAYUQKDNSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873642 500308384 /nfs/dbraw/zinc/30/83/84/500308384.db2.gz AVOWLUDHUZJMDP-BAYUQKDNSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874441 500308642 /nfs/dbraw/zinc/30/86/42/500308642.db2.gz CYKHHVPDBSTDMA-KAGYGMCKSA-N 3 1 357.542 3.487 20 0 FGADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875599 500308868 /nfs/dbraw/zinc/30/88/68/500308868.db2.gz FEIUNROMUVACSW-MOXWOTFGSA-N 2 1 359.558 3.021 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000430953216 500313023 /nfs/dbraw/zinc/31/30/23/500313023.db2.gz BIJBGYYZGYXXMW-UHFFFAOYSA-N 2 1 354.376 3.187 20 0 FGADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430961161 500313487 /nfs/dbraw/zinc/31/34/87/500313487.db2.gz MTCUBIRLQAPCOE-JXFKEZNVSA-N 2 1 353.466 3.477 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916282 500315911 /nfs/dbraw/zinc/31/59/11/500315911.db2.gz DFJRVIYQJGYABN-VXKWHMMOSA-N 2 1 350.510 3.381 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032675 500326313 /nfs/dbraw/zinc/32/63/13/500326313.db2.gz KNUTXWWQECNZGD-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423005954 500330604 /nfs/dbraw/zinc/33/06/04/500330604.db2.gz TVNDWDAGKCNPDK-FBKNVZDASA-N 3 1 371.569 3.034 20 0 FGADMP CC[C@@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCC[NH2+]1 ZINC000423040323 500334370 /nfs/dbraw/zinc/33/43/70/500334370.db2.gz TWQQRRMZWCODSG-CVEARBPZSA-N 2 1 365.319 3.068 20 0 FGADMP Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1Br ZINC000423066039 500338151 /nfs/dbraw/zinc/33/81/51/500338151.db2.gz CPFCNMLFILPUAL-OWCLPIDISA-N 2 1 353.304 3.004 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000423087321 500340742 /nfs/dbraw/zinc/34/07/42/500340742.db2.gz NWFZBLYKKWNUIT-TZMCWYRMSA-N 2 1 361.287 3.186 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980429 500340848 /nfs/dbraw/zinc/34/08/48/500340848.db2.gz AHKNERIMXUDEEC-SLYNCCJLSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980429 500340850 /nfs/dbraw/zinc/34/08/50/500340850.db2.gz AHKNERIMXUDEEC-SLYNCCJLSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980429 500340852 /nfs/dbraw/zinc/34/08/52/500340852.db2.gz AHKNERIMXUDEEC-SLYNCCJLSA-N 2 1 355.526 3.030 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126586 500345906 /nfs/dbraw/zinc/34/59/06/500345906.db2.gz BBUBMADODMESMN-BHDDXSALSA-N 3 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126586 500345907 /nfs/dbraw/zinc/34/59/07/500345907.db2.gz BBUBMADODMESMN-BHDDXSALSA-N 2 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126586 500345908 /nfs/dbraw/zinc/34/59/08/500345908.db2.gz BBUBMADODMESMN-BHDDXSALSA-N 2 1 371.569 3.022 20 0 FGADMP CC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127571 500346037 /nfs/dbraw/zinc/34/60/37/500346037.db2.gz CCKWTZKFFOLJIJ-FSSWDIPSSA-N 3 1 371.569 3.035 20 0 FGADMP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423130514 500346330 /nfs/dbraw/zinc/34/63/30/500346330.db2.gz GQIUFDXGXAYAAC-BSDSXHPESA-N 2 1 356.432 3.469 20 0 FGADMP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423130513 500346617 /nfs/dbraw/zinc/34/66/17/500346617.db2.gz GQIUFDXGXAYAAC-BRSBDYLESA-N 2 1 356.432 3.469 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000423146522 500348723 /nfs/dbraw/zinc/34/87/23/500348723.db2.gz ARLNKSWUABMCDE-DOTOQJQBSA-N 2 1 350.503 3.155 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCCC[NH2+]1 ZINC000423158745 500349835 /nfs/dbraw/zinc/34/98/35/500349835.db2.gz XDYNSIKSKMGUNH-SIIHOXLZSA-N 2 1 360.452 3.263 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423262236 500359232 /nfs/dbraw/zinc/35/92/32/500359232.db2.gz MBNKICKAITUWSK-KDOFPFPSSA-N 2 1 353.532 3.006 20 0 FGADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423365689 500367450 /nfs/dbraw/zinc/36/74/50/500367450.db2.gz PKEJDFKTARSZOP-NVXWUHKLSA-N 2 1 350.528 3.196 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000423373568 500368199 /nfs/dbraw/zinc/36/81/99/500368199.db2.gz HJXNEGITFKOPSU-CVEARBPZSA-N 2 1 353.466 3.352 20 0 FGADMP COCC[N@H+](C)CC[C@@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccccc1 ZINC000431427419 500376322 /nfs/dbraw/zinc/37/63/22/500376322.db2.gz NRIBSIVDCVBPTO-GOSISDBHSA-N 2 1 370.472 3.256 20 0 FGADMP COCC[N@@H+](C)CC[C@@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccccc1 ZINC000431427419 500376325 /nfs/dbraw/zinc/37/63/25/500376325.db2.gz NRIBSIVDCVBPTO-GOSISDBHSA-N 2 1 370.472 3.256 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(OC(F)(F)F)c1 ZINC000423525258 500382167 /nfs/dbraw/zinc/38/21/67/500382167.db2.gz XZQTXSGNHIRYRZ-OOHWJJMZSA-N 2 1 371.447 3.452 20 0 FGADMP CN(C)c1nc(N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc[nH+]1 ZINC000431511709 500386496 /nfs/dbraw/zinc/38/64/96/500386496.db2.gz LTGIYAMFCANPSC-UHFFFAOYSA-N 2 1 351.498 3.035 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427444878 500394136 /nfs/dbraw/zinc/39/41/36/500394136.db2.gz VJYFHQXQAOJNNV-OAQYLSRUSA-N 2 1 355.526 3.419 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH2+]CC2(C)C)c1 ZINC000423749097 500398813 /nfs/dbraw/zinc/39/88/13/500398813.db2.gz SFBFGIKAQDIXDP-NRFANRHFSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423814085 500404885 /nfs/dbraw/zinc/40/48/85/500404885.db2.gz STHUYGNSKCMWQV-LBPRGKRZSA-N 2 1 358.313 3.201 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(C2CC2)ns1 ZINC000431826634 500430051 /nfs/dbraw/zinc/43/00/51/500430051.db2.gz XVDFJHVQAPVOHU-UHFFFAOYSA-N 2 1 363.575 3.048 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000420296604 500436186 /nfs/dbraw/zinc/43/61/86/500436186.db2.gz XGABAMFFUSTWGX-LRDDRELGSA-N 2 1 361.287 3.075 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000420296604 500436188 /nfs/dbraw/zinc/43/61/88/500436188.db2.gz XGABAMFFUSTWGX-LRDDRELGSA-N 2 1 361.287 3.075 20 0 FGADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H](O)COc1cccc2ccccc21 ZINC000420303007 500437388 /nfs/dbraw/zinc/43/73/88/500437388.db2.gz KFRUBGFJNUJXOI-AZUAARDMSA-N 2 1 356.510 3.290 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000420303061 500437901 /nfs/dbraw/zinc/43/79/01/500437901.db2.gz NAJMPDCQGOHLHQ-KNQAVFIVSA-N 2 1 354.494 3.109 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311345 500439280 /nfs/dbraw/zinc/43/92/80/500439280.db2.gz HNERIAYILCUSHZ-AHRSYUTCSA-N 2 1 351.494 3.250 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311345 500439281 /nfs/dbraw/zinc/43/92/81/500439281.db2.gz HNERIAYILCUSHZ-AHRSYUTCSA-N 2 1 351.494 3.250 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2Cc2ccccc2OC)cc1 ZINC000420313306 500440013 /nfs/dbraw/zinc/44/00/13/500440013.db2.gz XXSOXRVPMIDUAK-PMACEKPBSA-N 2 1 354.494 3.453 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(SCC)c2)[C@H](C)C1 ZINC000427883440 500442260 /nfs/dbraw/zinc/44/22/60/500442260.db2.gz CHXGZUZOQAFSGN-SJLPKXTDSA-N 2 1 351.560 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(SCC)c2)[C@H](C)C1 ZINC000427883440 500442262 /nfs/dbraw/zinc/44/22/62/500442262.db2.gz CHXGZUZOQAFSGN-SJLPKXTDSA-N 2 1 351.560 3.420 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000431926189 500444134 /nfs/dbraw/zinc/44/41/34/500444134.db2.gz VJIUXNURPYEVIT-RTWAWAEBSA-N 2 1 359.558 3.320 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420362079 500448096 /nfs/dbraw/zinc/44/80/96/500448096.db2.gz HLYCWTRTYXINJG-MRXNPFEDSA-N 2 1 357.267 3.043 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000420362079 500448098 /nfs/dbraw/zinc/44/80/98/500448098.db2.gz HLYCWTRTYXINJG-MRXNPFEDSA-N 2 1 357.267 3.043 20 0 FGADMP [NH3+]C[C@H]([NH2+]CCOc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000420364731 500448725 /nfs/dbraw/zinc/44/87/25/500448725.db2.gz KPTXLNDFGBCOCG-INIZCTEOSA-N 2 1 359.283 3.464 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2CCN(c3ccccc3)CC2)cc1 ZINC000420381534 500451979 /nfs/dbraw/zinc/45/19/79/500451979.db2.gz XPEUGZVLWDMZQK-IBGZPJMESA-N 2 1 353.510 3.338 20 0 FGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385269 500452294 /nfs/dbraw/zinc/45/22/94/500452294.db2.gz SQIGSVBEJNEYIG-SMDDNHRTSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385269 500452296 /nfs/dbraw/zinc/45/22/96/500452296.db2.gz SQIGSVBEJNEYIG-SMDDNHRTSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401287 500455211 /nfs/dbraw/zinc/45/52/11/500455211.db2.gz PEOZZJCQVREIFO-LQBOVUBWSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401287 500455214 /nfs/dbraw/zinc/45/52/14/500455214.db2.gz PEOZZJCQVREIFO-LQBOVUBWSA-N 2 1 365.521 3.481 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000424309501 500484763 /nfs/dbraw/zinc/48/47/63/500484763.db2.gz ILACQHHTVRCEFU-HNNXBMFYSA-N 2 1 353.938 3.273 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000420776446 500497836 /nfs/dbraw/zinc/49/78/36/500497836.db2.gz FTBMQRJJZKXFQJ-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000420776446 500497838 /nfs/dbraw/zinc/49/78/38/500497838.db2.gz FTBMQRJJZKXFQJ-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000420776446 500497842 /nfs/dbraw/zinc/49/78/42/500497842.db2.gz FTBMQRJJZKXFQJ-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2)CCCO1 ZINC000432364946 500505523 /nfs/dbraw/zinc/50/55/23/500505523.db2.gz OJORBXGVSZBHBY-ZDUSSCGKSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2)CCCO1 ZINC000432364946 500505526 /nfs/dbraw/zinc/50/55/26/500505526.db2.gz OJORBXGVSZBHBY-ZDUSSCGKSA-N 2 1 359.283 3.179 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000424447496 500507096 /nfs/dbraw/zinc/50/70/96/500507096.db2.gz VLFLTJUCJDATTP-UHFFFAOYSA-N 2 1 352.482 3.194 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CC3 ZINC000432408339 500512287 /nfs/dbraw/zinc/51/22/87/500512287.db2.gz BCKISSSTTPIAGE-IAGOWNOFSA-N 2 1 371.525 3.124 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC3 ZINC000432408339 500512290 /nfs/dbraw/zinc/51/22/90/500512290.db2.gz BCKISSSTTPIAGE-IAGOWNOFSA-N 2 1 371.525 3.124 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421680 500514735 /nfs/dbraw/zinc/51/47/35/500514735.db2.gz AOHDMENCZKOWTH-UWJYYQICSA-N 2 1 358.526 3.480 20 0 FGADMP Cc1cc(CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857574 500516776 /nfs/dbraw/zinc/51/67/76/500516776.db2.gz ZVBGERBPRASCBQ-YLJYHZDGSA-N 2 1 352.482 3.161 20 0 FGADMP CCCCN(CC)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432664707 500545830 /nfs/dbraw/zinc/54/58/30/500545830.db2.gz NYWJBNKWSHGMLR-SFHVURJKSA-N 2 1 363.571 3.341 20 0 FGADMP CCCCN(CC)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432664707 500545834 /nfs/dbraw/zinc/54/58/34/500545834.db2.gz NYWJBNKWSHGMLR-SFHVURJKSA-N 2 1 363.571 3.341 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@H]1CCC[NH2+]1 ZINC000582400592 506202414 /nfs/dbraw/zinc/20/24/14/506202414.db2.gz OHDSWCKYGRSFPL-FLZHYZPUSA-N 2 1 373.585 3.173 20 0 FGADMP CC(CC[NH+]1CC[C@H](O)CC12CCC2)CC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421012498 500554159 /nfs/dbraw/zinc/55/41/59/500554159.db2.gz TXNRVIBSGJASHD-PMACEKPBSA-N 2 1 364.574 3.162 20 0 FGADMP Cc1ccc(NC(=O)CCN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346808 500594501 /nfs/dbraw/zinc/59/45/01/500594501.db2.gz HCZQFGZRXAWEOU-OALUTQOASA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346808 500594504 /nfs/dbraw/zinc/59/45/04/500594504.db2.gz HCZQFGZRXAWEOU-OALUTQOASA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346808 500594506 /nfs/dbraw/zinc/59/45/06/500594506.db2.gz HCZQFGZRXAWEOU-OALUTQOASA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346808 500594510 /nfs/dbraw/zinc/59/45/10/500594510.db2.gz HCZQFGZRXAWEOU-OALUTQOASA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346808 500594513 /nfs/dbraw/zinc/59/45/13/500594513.db2.gz HCZQFGZRXAWEOU-OALUTQOASA-N 2 1 358.530 3.305 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000437092056 500601495 /nfs/dbraw/zinc/60/14/95/500601495.db2.gz YPHWWENMHOCMFY-ZJOUEHCJSA-N 2 1 359.558 3.022 20 0 FGADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1 ZINC000447545131 500621596 /nfs/dbraw/zinc/62/15/96/500621596.db2.gz XJDZQQRUZOLXLY-INIZCTEOSA-N 2 1 372.465 3.392 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784386 500625273 /nfs/dbraw/zinc/62/52/73/500625273.db2.gz VUQAPCWPBHMUHL-VXGBXAGGSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784386 500625274 /nfs/dbraw/zinc/62/52/74/500625274.db2.gz VUQAPCWPBHMUHL-VXGBXAGGSA-N 2 1 350.260 3.273 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1(C)C ZINC000442866856 500636445 /nfs/dbraw/zinc/63/64/45/500636445.db2.gz JJJSQIHCELIFHE-KRWDZBQOSA-N 2 1 351.922 3.169 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000442917698 500646486 /nfs/dbraw/zinc/64/64/86/500646486.db2.gz BEJVPYCEIBIUGB-GFCCVEGCSA-N 2 1 354.285 3.135 20 0 FGADMP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000447723814 500653004 /nfs/dbraw/zinc/65/30/04/500653004.db2.gz RHMLFWAFJUYKOM-RBUKOAKNSA-N 2 1 353.466 3.313 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570842 500661911 /nfs/dbraw/zinc/66/19/11/500661911.db2.gz RDKIOPZXAMHJDJ-FHLIZLRMSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570842 500661913 /nfs/dbraw/zinc/66/19/13/500661913.db2.gz RDKIOPZXAMHJDJ-FHLIZLRMSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570842 500661914 /nfs/dbraw/zinc/66/19/14/500661914.db2.gz RDKIOPZXAMHJDJ-FHLIZLRMSA-N 2 1 358.448 3.413 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443058243 500670303 /nfs/dbraw/zinc/67/03/03/500670303.db2.gz JVPBFVOYOIAZMC-OXQOHEQNSA-N 2 1 357.523 3.015 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000443059107 500671832 /nfs/dbraw/zinc/67/18/32/500671832.db2.gz MBCUGDSACWCJIX-KRWDZBQOSA-N 2 1 353.466 3.478 20 0 FGADMP CC1CC[NH+](Cc2nc(-c3ccc(OCC[NH+]4CCCC4)cc3)no2)CC1 ZINC000443200270 500696107 /nfs/dbraw/zinc/69/61/07/500696107.db2.gz GBTCDORDUVBKEU-UHFFFAOYSA-N 2 1 370.497 3.443 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000447987568 500701878 /nfs/dbraw/zinc/70/18/78/500701878.db2.gz LBVJZPDEVWCPDJ-HXUWFJFHSA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000448211312 500733432 /nfs/dbraw/zinc/73/34/32/500733432.db2.gz BZXGMKKSYSWXLS-LJQANCHMSA-N 2 1 354.583 3.163 20 0 FGADMP Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000443682445 500755596 /nfs/dbraw/zinc/75/55/96/500755596.db2.gz MAMMJBDZDBSADQ-MRXNPFEDSA-N 2 1 357.376 3.166 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438213213 500755659 /nfs/dbraw/zinc/75/56/59/500755659.db2.gz IRCMORKNJMHTBW-RBBKRZOGSA-N 2 1 357.542 3.029 20 0 FGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449115 500761117 /nfs/dbraw/zinc/76/11/17/500761117.db2.gz PCUIHGFLEWTQNI-DBXWQHBBSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449115 500761118 /nfs/dbraw/zinc/76/11/18/500761118.db2.gz PCUIHGFLEWTQNI-DBXWQHBBSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448449115 500761119 /nfs/dbraw/zinc/76/11/19/500761119.db2.gz PCUIHGFLEWTQNI-DBXWQHBBSA-N 2 1 359.558 3.116 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443975114 500786219 /nfs/dbraw/zinc/78/62/19/500786219.db2.gz YHTKITRJUYCIDJ-QGZVFWFLSA-N 2 1 355.482 3.101 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443975114 500786220 /nfs/dbraw/zinc/78/62/20/500786220.db2.gz YHTKITRJUYCIDJ-QGZVFWFLSA-N 2 1 355.482 3.101 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434057809 500788939 /nfs/dbraw/zinc/78/89/39/500788939.db2.gz GACGVDDYYICKDJ-HXUWFJFHSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000448638899 500792541 /nfs/dbraw/zinc/79/25/41/500792541.db2.gz OMQFZSXXPYXDAU-FQEVSTJZSA-N 2 1 363.465 3.080 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438582170 500804718 /nfs/dbraw/zinc/80/47/18/500804718.db2.gz SPVOCIQEVFYPRC-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438582170 500804721 /nfs/dbraw/zinc/80/47/21/500804721.db2.gz SPVOCIQEVFYPRC-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438582170 500804723 /nfs/dbraw/zinc/80/47/23/500804723.db2.gz SPVOCIQEVFYPRC-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438582179 500805160 /nfs/dbraw/zinc/80/51/60/500805160.db2.gz SPVOCIQEVFYPRC-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438582179 500805162 /nfs/dbraw/zinc/80/51/62/500805162.db2.gz SPVOCIQEVFYPRC-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438582179 500805164 /nfs/dbraw/zinc/80/51/64/500805164.db2.gz SPVOCIQEVFYPRC-TZIWHRDSSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000444147055 500810024 /nfs/dbraw/zinc/81/00/24/500810024.db2.gz QXKDJESIMXOWRY-HKUYNNGSSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000438832465 500824779 /nfs/dbraw/zinc/82/47/79/500824779.db2.gz UVYLBTCUVUCUJN-NRFANRHFSA-N 2 1 354.542 3.471 20 0 FGADMP Cc1cc(N2CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)n[nH]1 ZINC000438903890 500833635 /nfs/dbraw/zinc/83/36/35/500833635.db2.gz SJONZMRIHDBMFD-UHFFFAOYSA-N 2 1 369.557 3.435 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCCC34CCC4)CC2)cc1 ZINC000444785690 500900456 /nfs/dbraw/zinc/90/04/56/500900456.db2.gz RTMVHCKCLCEVIJ-UHFFFAOYSA-N 2 1 355.526 3.048 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCCC34CCC4)CC2)cc1 ZINC000444785690 500900457 /nfs/dbraw/zinc/90/04/57/500900457.db2.gz RTMVHCKCLCEVIJ-UHFFFAOYSA-N 2 1 355.526 3.048 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CCCC34CCC4)CC2)cc1 ZINC000444785690 500900458 /nfs/dbraw/zinc/90/04/58/500900458.db2.gz RTMVHCKCLCEVIJ-UHFFFAOYSA-N 2 1 355.526 3.048 20 0 FGADMP CC(C)C[N@H+]1CCO[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058825 500913877 /nfs/dbraw/zinc/91/38/77/500913877.db2.gz MHFGMWSDTDRNMP-OFNKIYASSA-N 2 1 373.585 3.028 20 0 FGADMP C[C@H](C[NH2+]CC1([NH+](C)C)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061570 500914730 /nfs/dbraw/zinc/91/47/30/500914730.db2.gz WCQLMSDYRDQHFN-MRXNPFEDSA-N 2 1 352.544 3.048 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc3c(OC)cccc23)CC1 ZINC000449080271 500919787 /nfs/dbraw/zinc/91/97/87/500919787.db2.gz UTIXPJYAULRAAA-UHFFFAOYSA-N 2 1 355.526 3.356 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000449093252 500923233 /nfs/dbraw/zinc/92/32/33/500923233.db2.gz OETNXGKMXOHTSR-PDIWNELESA-N 2 1 350.506 3.330 20 0 FGADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160793 500937414 /nfs/dbraw/zinc/93/74/14/500937414.db2.gz COMUPDVAOQZFNV-IIBYNOLFSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160793 500937416 /nfs/dbraw/zinc/93/74/16/500937416.db2.gz COMUPDVAOQZFNV-IIBYNOLFSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(N(C)C)CCSC2)CC1 ZINC000449174968 500941413 /nfs/dbraw/zinc/94/14/13/500941413.db2.gz JGNRIQPBJBZKLB-WIYYLYMNSA-N 2 1 361.599 3.109 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439844138 500945083 /nfs/dbraw/zinc/94/50/83/500945083.db2.gz SVMLKKMCQBYXKN-IRLDBZIGSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439844138 500945087 /nfs/dbraw/zinc/94/50/87/500945087.db2.gz SVMLKKMCQBYXKN-IRLDBZIGSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439844138 500945090 /nfs/dbraw/zinc/94/50/90/500945090.db2.gz SVMLKKMCQBYXKN-IRLDBZIGSA-N 2 1 369.553 3.074 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847036 500945491 /nfs/dbraw/zinc/94/54/91/500945491.db2.gz SISBNTALZYJUKZ-UTKZUKDTSA-N 2 1 371.525 3.425 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847036 500945493 /nfs/dbraw/zinc/94/54/93/500945493.db2.gz SISBNTALZYJUKZ-UTKZUKDTSA-N 2 1 371.525 3.425 20 0 FGADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233774 500953922 /nfs/dbraw/zinc/95/39/22/500953922.db2.gz MZIIQRDZJRQHDX-VFNWGFHPSA-N 2 1 360.448 3.425 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]21 ZINC000435382644 500964484 /nfs/dbraw/zinc/96/44/84/500964484.db2.gz DXYYXDPQCRAEGL-YUXAGFNASA-N 2 1 373.504 3.494 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435388011 500965582 /nfs/dbraw/zinc/96/55/82/500965582.db2.gz DHVXYFUBVZGOSP-AWEZNQCLSA-N 2 1 363.303 3.032 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387048 500965661 /nfs/dbraw/zinc/96/56/61/500965661.db2.gz WPKBWLTWZDYLFZ-IEBWSBKVSA-N 2 1 361.493 3.494 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@@H]12 ZINC000435388520 500965776 /nfs/dbraw/zinc/96/57/76/500965776.db2.gz GFSUICBKYQVASS-BNEJOLLZSA-N 2 1 350.890 3.067 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@@H]12 ZINC000435388520 500965779 /nfs/dbraw/zinc/96/57/79/500965779.db2.gz GFSUICBKYQVASS-BNEJOLLZSA-N 2 1 350.890 3.067 20 0 FGADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437001 500976642 /nfs/dbraw/zinc/97/66/42/500976642.db2.gz IBZLHDAQZVIZSS-GUDVDZBRSA-N 2 1 360.546 3.052 20 0 FGADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437003 500977015 /nfs/dbraw/zinc/97/70/15/500977015.db2.gz IBZLHDAQZVIZSS-OTWHNJEPSA-N 2 1 360.546 3.052 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345438 500982860 /nfs/dbraw/zinc/98/28/60/500982860.db2.gz VNGQRBSRRGYBNJ-GCJKJVERSA-N 2 1 365.521 3.288 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440263810 500992447 /nfs/dbraw/zinc/99/24/47/500992447.db2.gz GEIFEWNSTDVOAM-IFMALSPDSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440263810 500992451 /nfs/dbraw/zinc/99/24/51/500992451.db2.gz GEIFEWNSTDVOAM-IFMALSPDSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440263810 500992456 /nfs/dbraw/zinc/99/24/56/500992456.db2.gz GEIFEWNSTDVOAM-IFMALSPDSA-N 2 1 369.553 3.374 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000435698504 501013979 /nfs/dbraw/zinc/01/39/79/501013979.db2.gz WTMZJIOJBZPIDK-SFHVURJKSA-N 2 1 373.497 3.470 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000435698504 501013982 /nfs/dbraw/zinc/01/39/82/501013982.db2.gz WTMZJIOJBZPIDK-SFHVURJKSA-N 2 1 373.497 3.470 20 0 FGADMP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cn1 ZINC000435778075 501027528 /nfs/dbraw/zinc/02/75/28/501027528.db2.gz KYDISZRDUANNIG-NRFANRHFSA-N 2 1 368.525 3.176 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000449578695 501036703 /nfs/dbraw/zinc/03/67/03/501036703.db2.gz QCVICRLKVVLWTD-IPJJNNNSSA-N 2 1 371.569 3.367 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000440670731 501037208 /nfs/dbraw/zinc/03/72/08/501037208.db2.gz NQNKIGANCCSFEX-ZRNYENFQSA-N 2 1 357.542 3.371 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440670731 501037210 /nfs/dbraw/zinc/03/72/10/501037210.db2.gz NQNKIGANCCSFEX-ZRNYENFQSA-N 2 1 357.542 3.371 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440670731 501037211 /nfs/dbraw/zinc/03/72/11/501037211.db2.gz NQNKIGANCCSFEX-ZRNYENFQSA-N 2 1 357.542 3.371 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435891429 501042144 /nfs/dbraw/zinc/04/21/44/501042144.db2.gz FFNTVYGFWCZDHN-UCNVEGJOSA-N 2 1 355.526 3.067 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925315 501064283 /nfs/dbraw/zinc/06/42/83/501064283.db2.gz WXFFTUOFTCRQSG-WAOWUJCRSA-N 2 1 369.553 3.071 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@@H]2CCOC2)cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000450389906 501108945 /nfs/dbraw/zinc/10/89/45/501108945.db2.gz KVLXDTYHCKINFC-QZTJIDSGSA-N 2 1 372.431 3.147 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3Cc4ccccc4N(C)C3)sc2C1 ZINC000436378207 501117138 /nfs/dbraw/zinc/11/71/38/501117138.db2.gz QZSQFVRROJNXAB-MRXNPFEDSA-N 2 1 370.566 3.308 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3Cc4ccccc4N(C)C3)sc2C1 ZINC000436378207 501117140 /nfs/dbraw/zinc/11/71/40/501117140.db2.gz QZSQFVRROJNXAB-MRXNPFEDSA-N 2 1 370.566 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450643359 501174246 /nfs/dbraw/zinc/17/42/46/501174246.db2.gz BFTWFBIUQWKUHP-KDURUIRLSA-N 2 1 350.547 3.467 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450643359 501174248 /nfs/dbraw/zinc/17/42/48/501174248.db2.gz BFTWFBIUQWKUHP-KDURUIRLSA-N 2 1 350.547 3.467 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000607722326 506239282 /nfs/dbraw/zinc/23/92/82/506239282.db2.gz YMGCJFKVGVDION-XLIONFOSSA-N 2 1 358.530 3.319 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000451179113 501250301 /nfs/dbraw/zinc/25/03/01/501250301.db2.gz CKWOTIGVTWGVID-LQWHRVPQSA-N 2 1 357.542 3.242 20 0 FGADMP CCn1ccnc1[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000453062460 501261168 /nfs/dbraw/zinc/26/11/68/501261168.db2.gz MPSNRNGHTAZDGJ-FQEVSTJZSA-N 2 1 369.557 3.152 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000451323650 501264861 /nfs/dbraw/zinc/26/48/61/501264861.db2.gz VXADTMBIYQJPLW-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451323650 501264863 /nfs/dbraw/zinc/26/48/63/501264863.db2.gz VXADTMBIYQJPLW-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000451323650 501264864 /nfs/dbraw/zinc/26/48/64/501264864.db2.gz VXADTMBIYQJPLW-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCCC1 ZINC000457621546 501270236 /nfs/dbraw/zinc/27/02/36/501270236.db2.gz QCQUSXXRMHUBTG-FPOVZHCZSA-N 2 1 364.578 3.014 20 0 FGADMP COC1([C@H](C)[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179618 501286615 /nfs/dbraw/zinc/28/66/15/501286615.db2.gz UYIFFJAICJPTRK-ZJOUEHCJSA-N 2 1 360.542 3.461 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453224794 501294460 /nfs/dbraw/zinc/29/44/60/501294460.db2.gz XASWYOPKMQIDLP-PWRODBHTSA-N 2 1 369.553 3.326 20 0 FGADMP O[C@H](CN[C@@H]1CCCc2cc(F)ccc21)C[N@H+]1CCc2ccccc2C1 ZINC000582477159 506245192 /nfs/dbraw/zinc/24/51/92/506245192.db2.gz ZQQSUNKKIKIKMA-IFMALSPDSA-N 2 1 354.469 3.212 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457759064 501302853 /nfs/dbraw/zinc/30/28/53/501302853.db2.gz KAGHLFCCNOCJIC-UHFFFAOYSA-N 2 1 357.498 3.024 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277359 501306294 /nfs/dbraw/zinc/30/62/94/501306294.db2.gz JEFVEFOGSUMPJD-RCLSDMTESA-N 2 1 369.553 3.311 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000453305040 501311849 /nfs/dbraw/zinc/31/18/49/501311849.db2.gz GPRIRZNFRWGETA-XYJFISCASA-N 2 1 364.530 3.353 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)cc(C)nc2C)[C@@H](C)C1 ZINC000455474004 501312433 /nfs/dbraw/zinc/31/24/33/501312433.db2.gz CYBXGVVDYWMGBR-MAUKXSAKSA-N 2 1 362.518 3.265 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000453369255 501320821 /nfs/dbraw/zinc/32/08/21/501320821.db2.gz SXLKOULKDVJOIQ-FXAWDEMLSA-N 2 1 374.504 3.238 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000453369255 501320823 /nfs/dbraw/zinc/32/08/23/501320823.db2.gz SXLKOULKDVJOIQ-FXAWDEMLSA-N 2 1 374.504 3.238 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455950535 501423957 /nfs/dbraw/zinc/42/39/57/501423957.db2.gz ZSDAHPKWYCSJMH-WSTZPKSXSA-N 2 1 356.514 3.326 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000458495533 501458597 /nfs/dbraw/zinc/45/85/97/501458597.db2.gz MNFOHXSFVMMHPQ-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495533 501458599 /nfs/dbraw/zinc/45/85/99/501458599.db2.gz MNFOHXSFVMMHPQ-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495533 501458600 /nfs/dbraw/zinc/45/86/00/501458600.db2.gz MNFOHXSFVMMHPQ-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512548 501463298 /nfs/dbraw/zinc/46/32/98/501463298.db2.gz YIHPTPBSZPJJDD-NRSPTQNISA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512548 501463299 /nfs/dbraw/zinc/46/32/99/501463299.db2.gz YIHPTPBSZPJJDD-NRSPTQNISA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458575548 501478267 /nfs/dbraw/zinc/47/82/67/501478267.db2.gz XVJXSSODRJRUEB-MJGOQNOKSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456333549 501501096 /nfs/dbraw/zinc/50/10/96/501501096.db2.gz LQUXPVTUQPESDY-IBGZPJMESA-N 2 1 365.521 3.342 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000458940921 501562609 /nfs/dbraw/zinc/56/26/09/501562609.db2.gz RVNXPGSEZGISBV-IBGZPJMESA-N 2 1 364.578 3.157 20 0 FGADMP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458983987 501571024 /nfs/dbraw/zinc/57/10/24/501571024.db2.gz DVYVVUKNVDHAHA-LCLWPZTBSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)OC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017198 501602278 /nfs/dbraw/zinc/60/22/78/501602278.db2.gz MSKUJJQPIKZQAF-VXKWHMMOSA-N 2 1 374.569 3.395 20 0 FGADMP CN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459158321 501605402 /nfs/dbraw/zinc/60/54/02/501605402.db2.gz NCOCZKAECQPXKS-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459158321 501605404 /nfs/dbraw/zinc/60/54/04/501605404.db2.gz NCOCZKAECQPXKS-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459158321 501605405 /nfs/dbraw/zinc/60/54/05/501605405.db2.gz NCOCZKAECQPXKS-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000454780541 501628122 /nfs/dbraw/zinc/62/81/22/501628122.db2.gz WGDMKSIDZUJNTQ-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000459326193 501631663 /nfs/dbraw/zinc/63/16/63/501631663.db2.gz WVFRFLHQDOELRW-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000459326193 501631664 /nfs/dbraw/zinc/63/16/64/501631664.db2.gz WVFRFLHQDOELRW-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000459326193 501631666 /nfs/dbraw/zinc/63/16/66/501631666.db2.gz WVFRFLHQDOELRW-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350819 501637234 /nfs/dbraw/zinc/63/72/34/501637234.db2.gz SVBYQDKIGBISND-CTNGQTDRSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350819 501637236 /nfs/dbraw/zinc/63/72/36/501637236.db2.gz SVBYQDKIGBISND-CTNGQTDRSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350821 501637400 /nfs/dbraw/zinc/63/74/00/501637400.db2.gz SVBYQDKIGBISND-PZJWPPBQSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350821 501637403 /nfs/dbraw/zinc/63/74/03/501637403.db2.gz SVBYQDKIGBISND-PZJWPPBQSA-N 2 1 357.542 3.362 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459448919 501655385 /nfs/dbraw/zinc/65/53/85/501655385.db2.gz YCCYBHSNBOQRRC-IBGZPJMESA-N 2 1 366.509 3.450 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498964 501664552 /nfs/dbraw/zinc/66/45/52/501664552.db2.gz BRULXMQORKTWCM-LJQANCHMSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498964 501664553 /nfs/dbraw/zinc/66/45/53/501664553.db2.gz BRULXMQORKTWCM-LJQANCHMSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498964 501664555 /nfs/dbraw/zinc/66/45/55/501664555.db2.gz BRULXMQORKTWCM-LJQANCHMSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498964 501664556 /nfs/dbraw/zinc/66/45/56/501664556.db2.gz BRULXMQORKTWCM-LJQANCHMSA-N 2 1 371.516 3.078 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000455034391 501675860 /nfs/dbraw/zinc/67/58/60/501675860.db2.gz NIZSWWDVBXUPSG-UHFFFAOYSA-N 2 1 374.529 3.209 20 0 FGADMP Cc1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)sc1C ZINC000477636715 501746850 /nfs/dbraw/zinc/74/68/50/501746850.db2.gz MJAXHCOOPZSDAU-UHFFFAOYSA-N 2 1 364.603 3.388 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@@H](C)C1 ZINC000463572085 501765698 /nfs/dbraw/zinc/76/56/98/501765698.db2.gz XFFZWWUWNHZZGB-ZXDFIECXSA-N 2 1 360.542 3.461 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485357887 501797274 /nfs/dbraw/zinc/79/72/74/501797274.db2.gz MPTJXHMWGFVVKX-VCOUNFBDSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485357887 501797277 /nfs/dbraw/zinc/79/72/77/501797277.db2.gz MPTJXHMWGFVVKX-VCOUNFBDSA-N 2 1 363.505 3.292 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)n1 ZINC000477859778 501811715 /nfs/dbraw/zinc/81/17/15/501811715.db2.gz UTXSMDAOHZLTQN-IAGOWNOFSA-N 2 1 371.506 3.313 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CCCc2ccc(C)nc2)CC1 ZINC000474482990 501850918 /nfs/dbraw/zinc/85/09/18/501850918.db2.gz RCFJIVQIWYYFIR-UHFFFAOYSA-N 2 1 366.553 3.250 20 0 FGADMP O[C@@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000464068478 501889331 /nfs/dbraw/zinc/88/93/31/501889331.db2.gz XLRDQJRUYMYKGT-DAWZGUTISA-N 2 1 356.432 3.334 20 0 FGADMP O[C@@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000464068478 501889336 /nfs/dbraw/zinc/88/93/36/501889336.db2.gz XLRDQJRUYMYKGT-DAWZGUTISA-N 2 1 356.432 3.334 20 0 FGADMP CC(C)n1nccc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000474606484 501891200 /nfs/dbraw/zinc/89/12/00/501891200.db2.gz WEQBIAYUAPRISC-UHFFFAOYSA-N 2 1 369.557 3.152 20 0 FGADMP C([NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000464078602 501892753 /nfs/dbraw/zinc/89/27/53/501892753.db2.gz RMJWYJJDNDTDBU-SLFFLAALSA-N 2 1 350.547 3.206 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471031851 501897512 /nfs/dbraw/zinc/89/75/12/501897512.db2.gz VRNMKKMIFRVAGC-OYRHEFFESA-N 2 1 350.462 3.037 20 0 FGADMP COC(=O)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471031851 501897516 /nfs/dbraw/zinc/89/75/16/501897516.db2.gz VRNMKKMIFRVAGC-OYRHEFFESA-N 2 1 350.462 3.037 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471031851 501897519 /nfs/dbraw/zinc/89/75/19/501897519.db2.gz VRNMKKMIFRVAGC-OYRHEFFESA-N 2 1 350.462 3.037 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471031851 501897522 /nfs/dbraw/zinc/89/75/22/501897522.db2.gz VRNMKKMIFRVAGC-OYRHEFFESA-N 2 1 350.462 3.037 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973650 501916704 /nfs/dbraw/zinc/91/67/04/501916704.db2.gz NUVGLEQACXCKCZ-SVFBPWRDSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000468018677 501931632 /nfs/dbraw/zinc/93/16/32/501931632.db2.gz ACBYEWGZGNPFRS-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468023066 501932476 /nfs/dbraw/zinc/93/24/76/501932476.db2.gz VDYGVJQGXCSUKE-SFHLNBCPSA-N 2 1 374.573 3.488 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000481995838 501939755 /nfs/dbraw/zinc/93/97/55/501939755.db2.gz XOOBCOOFZMMNDA-VXKWHMMOSA-N 2 1 351.494 3.279 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000475112908 502063602 /nfs/dbraw/zinc/06/36/02/502063602.db2.gz UMSUEHHVDHZTML-MSOLQXFVSA-N 2 1 364.578 3.346 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000468486981 502077065 /nfs/dbraw/zinc/07/70/65/502077065.db2.gz JDOKXGBPIFLJKU-KRWDZBQOSA-N 2 1 356.470 3.129 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140333 502077115 /nfs/dbraw/zinc/07/71/15/502077115.db2.gz RYWNOHAXCRJXKQ-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2c1 ZINC000482534675 502103901 /nfs/dbraw/zinc/10/39/01/502103901.db2.gz JUMSDFKQGQDZTE-OXQOHEQNSA-N 2 1 369.509 3.086 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000482548078 502107502 /nfs/dbraw/zinc/10/75/02/502107502.db2.gz MAGKVGUVXHFZCR-LJQANCHMSA-N 2 1 374.573 3.144 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461438095 502115035 /nfs/dbraw/zinc/11/50/35/502115035.db2.gz KFSSSFUSZNIZGQ-VXKWHMMOSA-N 2 1 369.553 3.233 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448082 502118398 /nfs/dbraw/zinc/11/83/98/502118398.db2.gz OTISRGJYVFNZJX-YPAWHYETSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448082 502118401 /nfs/dbraw/zinc/11/84/01/502118401.db2.gz OTISRGJYVFNZJX-YPAWHYETSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448082 502118405 /nfs/dbraw/zinc/11/84/05/502118405.db2.gz OTISRGJYVFNZJX-YPAWHYETSA-N 2 1 369.553 3.231 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071685 502155175 /nfs/dbraw/zinc/15/51/75/502155175.db2.gz SYANPPBZVLVRJW-CTNGQTDRSA-N 2 1 368.525 3.076 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875208 502161923 /nfs/dbraw/zinc/16/19/23/502161923.db2.gz WJXUTRQDNSTOMM-CTNGQTDRSA-N 2 1 357.542 3.107 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000461721615 502179027 /nfs/dbraw/zinc/17/90/27/502179027.db2.gz GGMGSKJWOARHID-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000461799546 502206764 /nfs/dbraw/zinc/20/67/64/502206764.db2.gz QABUDIRPPLPJRE-XUVXKRRUSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000461799546 502206766 /nfs/dbraw/zinc/20/67/66/502206766.db2.gz QABUDIRPPLPJRE-XUVXKRRUSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000461799546 502206767 /nfs/dbraw/zinc/20/67/67/502206767.db2.gz QABUDIRPPLPJRE-XUVXKRRUSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461801088 502206926 /nfs/dbraw/zinc/20/69/26/502206926.db2.gz LEQAPFDGLCLHIB-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000461801088 502206930 /nfs/dbraw/zinc/20/69/30/502206930.db2.gz LEQAPFDGLCLHIB-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000461801088 502206936 /nfs/dbraw/zinc/20/69/36/502206936.db2.gz LEQAPFDGLCLHIB-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718624 502242282 /nfs/dbraw/zinc/24/22/82/502242282.db2.gz DPGMBVXIDBMNBM-HXUWFJFHSA-N 2 1 353.441 3.163 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000465420086 502256481 /nfs/dbraw/zinc/25/64/81/502256481.db2.gz HNYWIVSNNHFFOM-GHTZIAJQSA-N 2 1 374.573 3.368 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462007757 502272209 /nfs/dbraw/zinc/27/22/09/502272209.db2.gz GYVYOEMTVVTZPL-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462007757 502272213 /nfs/dbraw/zinc/27/22/13/502272213.db2.gz GYVYOEMTVVTZPL-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462007757 502272217 /nfs/dbraw/zinc/27/22/17/502272217.db2.gz GYVYOEMTVVTZPL-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000483126121 502282874 /nfs/dbraw/zinc/28/28/74/502282874.db2.gz BQUDJADNPFJEKG-ONTIZHBOSA-N 2 1 359.558 3.382 20 0 FGADMP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CCC1 ZINC000483128616 502283556 /nfs/dbraw/zinc/28/35/56/502283556.db2.gz IIVVEUCMZPEYSG-UHFFFAOYSA-N 2 1 357.542 3.198 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000479520663 502284722 /nfs/dbraw/zinc/28/47/22/502284722.db2.gz YKPCNHSHVFVRRE-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000479520663 502284724 /nfs/dbraw/zinc/28/47/24/502284724.db2.gz YKPCNHSHVFVRRE-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C1CC1 ZINC000479520663 502284726 /nfs/dbraw/zinc/28/47/26/502284726.db2.gz YKPCNHSHVFVRRE-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000472257618 502287342 /nfs/dbraw/zinc/28/73/42/502287342.db2.gz IKCLMRQPSGHXES-GOSISDBHSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267294 502290650 /nfs/dbraw/zinc/29/06/50/502290650.db2.gz DVLJDWBDSLQVBC-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267294 502290654 /nfs/dbraw/zinc/29/06/54/502290654.db2.gz DVLJDWBDSLQVBC-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465530087 502291544 /nfs/dbraw/zinc/29/15/44/502291544.db2.gz YREIYOVEWTWINP-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000479547516 502293801 /nfs/dbraw/zinc/29/38/01/502293801.db2.gz UXQODPKPYCKKIU-WIYYLYMNSA-N 2 1 355.526 3.156 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000472273963 502294351 /nfs/dbraw/zinc/29/43/51/502294351.db2.gz GRASPVNEZAAKGF-INIZCTEOSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000472273963 502294355 /nfs/dbraw/zinc/29/43/55/502294355.db2.gz GRASPVNEZAAKGF-INIZCTEOSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000472282650 502298736 /nfs/dbraw/zinc/29/87/36/502298736.db2.gz GOKJZDRPBZLPAD-IBGZPJMESA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000472282650 502298740 /nfs/dbraw/zinc/29/87/40/502298740.db2.gz GOKJZDRPBZLPAD-IBGZPJMESA-N 2 1 361.461 3.413 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000465556785 502306283 /nfs/dbraw/zinc/30/62/83/502306283.db2.gz BOQCTSIHQCOUQT-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000465556785 502306288 /nfs/dbraw/zinc/30/62/88/502306288.db2.gz BOQCTSIHQCOUQT-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000465556785 502306292 /nfs/dbraw/zinc/30/62/92/502306292.db2.gz BOQCTSIHQCOUQT-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156697 502327611 /nfs/dbraw/zinc/32/76/11/502327611.db2.gz DQJRXAAJJSYYCU-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156697 502327613 /nfs/dbraw/zinc/32/76/13/502327613.db2.gz DQJRXAAJJSYYCU-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156697 502327618 /nfs/dbraw/zinc/32/76/18/502327618.db2.gz DQJRXAAJJSYYCU-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156697 502327621 /nfs/dbraw/zinc/32/76/21/502327621.db2.gz DQJRXAAJJSYYCU-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)CC[N@H+]1C ZINC000487086990 502354362 /nfs/dbraw/zinc/35/43/62/502354362.db2.gz ORMOPSYLGWPUBE-FQEVSTJZSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC[NH+]1C ZINC000487086990 502354370 /nfs/dbraw/zinc/35/43/70/502354370.db2.gz ORMOPSYLGWPUBE-FQEVSTJZSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC[NH+]1C ZINC000487086990 502354374 /nfs/dbraw/zinc/35/43/74/502354374.db2.gz ORMOPSYLGWPUBE-FQEVSTJZSA-N 2 1 360.546 3.008 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731959 502363027 /nfs/dbraw/zinc/36/30/27/502363027.db2.gz VTYDUFNLRXFZFQ-LMNJBCLMSA-N 2 1 364.578 3.061 20 0 FGADMP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000487158410 502376151 /nfs/dbraw/zinc/37/61/51/502376151.db2.gz VPSDTUGQPRCMCY-NRFANRHFSA-N 2 1 365.521 3.485 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC000465811383 502391727 /nfs/dbraw/zinc/39/17/27/502391727.db2.gz JFLHLDKRTYOMCT-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000465811383 502391732 /nfs/dbraw/zinc/39/17/32/502391732.db2.gz JFLHLDKRTYOMCT-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000465811383 502391736 /nfs/dbraw/zinc/39/17/36/502391736.db2.gz JFLHLDKRTYOMCT-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CCCCCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484888 502405950 /nfs/dbraw/zinc/40/59/50/502405950.db2.gz QVJXCCZOWMGQGD-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886188 502415474 /nfs/dbraw/zinc/41/54/74/502415474.db2.gz ITWONGWREMGOBD-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465886188 502415478 /nfs/dbraw/zinc/41/54/78/502415478.db2.gz ITWONGWREMGOBD-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465886188 502415485 /nfs/dbraw/zinc/41/54/85/502415485.db2.gz ITWONGWREMGOBD-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479926100 502420886 /nfs/dbraw/zinc/42/08/86/502420886.db2.gz FRKLWKWWZQFUCG-OAQYLSRUSA-N 2 1 352.478 3.305 20 0 FGADMP CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465944273 502436646 /nfs/dbraw/zinc/43/66/46/502436646.db2.gz XOPWVFLAOWGBNR-SFTDATJTSA-N 2 1 374.573 3.065 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000469520009 502449273 /nfs/dbraw/zinc/44/92/73/502449273.db2.gz BXRFTKIKCJRHCA-OALUTQOASA-N 2 1 369.619 3.174 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019035 502456043 /nfs/dbraw/zinc/45/60/43/502456043.db2.gz GONPCYCOVHWVDU-UXHICEINSA-N 2 1 374.573 3.422 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC000483712170 502471832 /nfs/dbraw/zinc/47/18/32/502471832.db2.gz MFDRSXJFFRRHHC-NZSAHSFTSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000466096515 502476992 /nfs/dbraw/zinc/47/69/92/502476992.db2.gz WDVTZDHJTBDWGI-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000466096515 502477000 /nfs/dbraw/zinc/47/70/00/502477000.db2.gz WDVTZDHJTBDWGI-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000462532464 502477606 /nfs/dbraw/zinc/47/76/06/502477606.db2.gz DYKTVLIPDJBPDP-BLLLJJGKSA-N 2 1 353.304 3.204 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000462532464 502477609 /nfs/dbraw/zinc/47/76/09/502477609.db2.gz DYKTVLIPDJBPDP-BLLLJJGKSA-N 2 1 353.304 3.204 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466154552 502490985 /nfs/dbraw/zinc/49/09/85/502490985.db2.gz TUYKJWHISSBZFI-UAFMIMERSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000487618447 502491139 /nfs/dbraw/zinc/49/11/39/502491139.db2.gz FNBFBHORPNLCDM-UHFFFAOYSA-N 2 1 353.510 3.017 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000487618447 502491142 /nfs/dbraw/zinc/49/11/42/502491142.db2.gz FNBFBHORPNLCDM-UHFFFAOYSA-N 2 1 353.510 3.017 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473023012 502501859 /nfs/dbraw/zinc/50/18/59/502501859.db2.gz NAJKSEGXLLDESI-IBGZPJMESA-N 2 1 374.573 3.461 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473020076 502502415 /nfs/dbraw/zinc/50/24/15/502502415.db2.gz FDSFRDMRRPGLSM-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000483927540 502523240 /nfs/dbraw/zinc/52/32/40/502523240.db2.gz LIRQMTIFRRCGHI-RXVVDRJESA-N 2 1 366.509 3.395 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000483927540 502523249 /nfs/dbraw/zinc/52/32/49/502523249.db2.gz LIRQMTIFRRCGHI-RXVVDRJESA-N 2 1 366.509 3.395 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927540 502523253 /nfs/dbraw/zinc/52/32/53/502523253.db2.gz LIRQMTIFRRCGHI-RXVVDRJESA-N 2 1 366.509 3.395 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927540 502523260 /nfs/dbraw/zinc/52/32/60/502523260.db2.gz LIRQMTIFRRCGHI-RXVVDRJESA-N 2 1 366.509 3.395 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000480280329 502523786 /nfs/dbraw/zinc/52/37/86/502523786.db2.gz UBHVIOWLIBQQKB-YTQUADARSA-N 2 1 353.576 3.077 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000480280326 502524228 /nfs/dbraw/zinc/52/42/28/502524228.db2.gz UBHVIOWLIBQQKB-NZSAHSFTSA-N 2 1 353.576 3.077 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466300046 502530804 /nfs/dbraw/zinc/53/08/04/502530804.db2.gz VOJYYKZYQJCUOB-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000487826039 502540702 /nfs/dbraw/zinc/54/07/02/502540702.db2.gz WVVPHSPBSJQGHN-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000487826039 502540708 /nfs/dbraw/zinc/54/07/08/502540708.db2.gz WVVPHSPBSJQGHN-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000487826039 502540714 /nfs/dbraw/zinc/54/07/14/502540714.db2.gz WVVPHSPBSJQGHN-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850401 502547103 /nfs/dbraw/zinc/54/71/03/502547103.db2.gz KXUMYVRTFWVFMH-RBUKOAKNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850401 502547108 /nfs/dbraw/zinc/54/71/08/502547108.db2.gz KXUMYVRTFWVFMH-RBUKOAKNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850401 502547113 /nfs/dbraw/zinc/54/71/13/502547113.db2.gz KXUMYVRTFWVFMH-RBUKOAKNSA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000473309712 502563173 /nfs/dbraw/zinc/56/31/73/502563173.db2.gz VAFCCDIALLFASZ-HXUWFJFHSA-N 2 1 357.542 3.137 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469888143 502584673 /nfs/dbraw/zinc/58/46/73/502584673.db2.gz MDLMLAKMJIPHGO-FPMFFAJLSA-N 2 1 352.404 3.151 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469888143 502584678 /nfs/dbraw/zinc/58/46/78/502584678.db2.gz MDLMLAKMJIPHGO-FPMFFAJLSA-N 2 1 352.404 3.151 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553630 502600843 /nfs/dbraw/zinc/60/08/43/502600843.db2.gz KXLKSGMJWBUGFK-SFTDATJTSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553630 502600846 /nfs/dbraw/zinc/60/08/46/502600846.db2.gz KXLKSGMJWBUGFK-SFTDATJTSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553630 502600855 /nfs/dbraw/zinc/60/08/55/502600855.db2.gz KXLKSGMJWBUGFK-SFTDATJTSA-N 2 1 369.553 3.422 20 0 FGADMP CC[N@H+]1CCC[C@@H](CN(C)Cc2cc(F)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000462905942 502621627 /nfs/dbraw/zinc/62/16/27/502621627.db2.gz LPBKCJHYNTZVPM-HRAATJIYSA-N 2 1 374.504 3.473 20 0 FGADMP CCN1CCC[C@@H](C[N@H+](C)Cc2cc(F)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000462905942 502621632 /nfs/dbraw/zinc/62/16/32/502621632.db2.gz LPBKCJHYNTZVPM-HRAATJIYSA-N 2 1 374.504 3.473 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(F)ccc2OC)[C@@H]1c1cnn(C)c1 ZINC000462905942 502621636 /nfs/dbraw/zinc/62/16/36/502621636.db2.gz LPBKCJHYNTZVPM-HRAATJIYSA-N 2 1 374.504 3.473 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716642 502652212 /nfs/dbraw/zinc/65/22/12/502652212.db2.gz YODRUCXMSFORDZ-GHTZIAJQSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000480716642 502652218 /nfs/dbraw/zinc/65/22/18/502652218.db2.gz YODRUCXMSFORDZ-GHTZIAJQSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000480716642 502652223 /nfs/dbraw/zinc/65/22/23/502652223.db2.gz YODRUCXMSFORDZ-GHTZIAJQSA-N 2 1 369.553 3.204 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896505 502700383 /nfs/dbraw/zinc/70/03/83/502700383.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000480896505 502700386 /nfs/dbraw/zinc/70/03/86/502700386.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000480896505 502700389 /nfs/dbraw/zinc/70/03/89/502700389.db2.gz CYUJDSSJLIZFJJ-YYWHXJBOSA-N 2 1 365.537 3.155 20 0 FGADMP C[C@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488417925 502709015 /nfs/dbraw/zinc/70/90/15/502709015.db2.gz GRZHOYFRYSXKIQ-QGZVFWFLSA-N 2 1 373.566 3.322 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)C)C3)cc2)CC1 ZINC000488418883 502710010 /nfs/dbraw/zinc/71/00/10/502710010.db2.gz TUVJPVPKVPBHRZ-LEWJYISDSA-N 2 1 361.599 3.444 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2)C1 ZINC000588764082 506330592 /nfs/dbraw/zinc/33/05/92/506330592.db2.gz QOGXHKNVDGOHQK-LJQANCHMSA-N 2 1 373.541 3.360 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2)C1 ZINC000588764082 506330599 /nfs/dbraw/zinc/33/05/99/506330599.db2.gz QOGXHKNVDGOHQK-LJQANCHMSA-N 2 1 373.541 3.360 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000470249527 502716100 /nfs/dbraw/zinc/71/61/00/502716100.db2.gz XYLDJNLMLXCJOL-LESCRADOSA-N 2 1 374.447 3.056 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258912 502718721 /nfs/dbraw/zinc/71/87/21/502718721.db2.gz UHHDCDRTKQQGIO-INMHGKMJSA-N 2 1 374.447 3.056 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000481031790 502734288 /nfs/dbraw/zinc/73/42/88/502734288.db2.gz HSEKGOICICESLN-UHFFFAOYSA-N 2 1 365.521 3.490 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463270108 502742663 /nfs/dbraw/zinc/74/26/63/502742663.db2.gz CANNWFPIQWLHNY-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466974694 502743427 /nfs/dbraw/zinc/74/34/27/502743427.db2.gz AKJQQRCVFVXVTL-LJQANCHMSA-N 2 1 374.573 3.245 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000463276226 502743688 /nfs/dbraw/zinc/74/36/88/502743688.db2.gz OYGDVTHZDBDOID-UHVFKWDWSA-N 2 1 368.525 3.201 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000463276226 502743690 /nfs/dbraw/zinc/74/36/90/502743690.db2.gz OYGDVTHZDBDOID-UHVFKWDWSA-N 2 1 368.525 3.201 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470369917 502753026 /nfs/dbraw/zinc/75/30/26/502753026.db2.gz RTRMAGNJPGPUNY-QGZVFWFLSA-N 2 1 363.505 3.452 20 0 FGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484890075 502766057 /nfs/dbraw/zinc/76/60/57/502766057.db2.gz FBLDKFZKVOLUSQ-XDNAFOTISA-N 2 1 364.555 3.170 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488642277 502772205 /nfs/dbraw/zinc/77/22/05/502772205.db2.gz IEAGRMPYQHLWRY-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000481190421 502778832 /nfs/dbraw/zinc/77/88/32/502778832.db2.gz OOVSUUZYQFCDEB-OIBXWCBGSA-N 2 1 352.522 3.338 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000474081842 502802155 /nfs/dbraw/zinc/80/21/55/502802155.db2.gz OAOXBFWARLVRMJ-MYDTUXCISA-N 2 1 372.553 3.328 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000474081840 502802609 /nfs/dbraw/zinc/80/26/09/502802609.db2.gz OAOXBFWARLVRMJ-KAOXLYBCSA-N 2 1 372.553 3.328 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076224 502874664 /nfs/dbraw/zinc/87/46/64/502874664.db2.gz POWOBAKYNYVWPB-IRLDBZIGSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489076224 502874680 /nfs/dbraw/zinc/87/46/80/502874680.db2.gz POWOBAKYNYVWPB-IRLDBZIGSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489076224 502874684 /nfs/dbraw/zinc/87/46/84/502874684.db2.gz POWOBAKYNYVWPB-IRLDBZIGSA-N 2 1 372.557 3.072 20 0 FGADMP Cn1nnc2cc(C[NH2+][C@@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441781 502904377 /nfs/dbraw/zinc/90/43/77/502904377.db2.gz ZKLKXOFRDFVQHL-OAQYLSRUSA-N 2 1 363.509 3.359 20 0 FGADMP Cn1nnc2cc(C[NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441781 502904380 /nfs/dbraw/zinc/90/43/80/502904380.db2.gz ZKLKXOFRDFVQHL-OAQYLSRUSA-N 2 1 363.509 3.359 20 0 FGADMP CCc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501041594 502919765 /nfs/dbraw/zinc/91/97/65/502919765.db2.gz ZBYCJAGCNWVHIC-UHFFFAOYSA-N 2 1 366.509 3.431 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000501049072 502922506 /nfs/dbraw/zinc/92/25/06/502922506.db2.gz SNYHABJVRWEEKG-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000501049072 502922508 /nfs/dbraw/zinc/92/25/08/502922508.db2.gz SNYHABJVRWEEKG-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000501049072 502922513 /nfs/dbraw/zinc/92/25/13/502922513.db2.gz SNYHABJVRWEEKG-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000513405789 502928738 /nfs/dbraw/zinc/92/87/38/502928738.db2.gz IVROXMWEXUGXRK-FQEVSTJZSA-N 2 1 369.553 3.171 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(C)c2o1 ZINC000505801582 502988719 /nfs/dbraw/zinc/98/87/19/502988719.db2.gz KMVBTPINRXTQHQ-SFHVURJKSA-N 2 1 357.498 3.229 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]2CCC[C@@H]21 ZINC000513666711 502995077 /nfs/dbraw/zinc/99/50/77/502995077.db2.gz NIEAGRXPRYDLCD-LMNJBCLMSA-N 2 1 350.510 3.323 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]2CCC[C@@H]21 ZINC000513666711 502995082 /nfs/dbraw/zinc/99/50/82/502995082.db2.gz NIEAGRXPRYDLCD-LMNJBCLMSA-N 2 1 350.510 3.323 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513683001 503000029 /nfs/dbraw/zinc/00/00/29/503000029.db2.gz DYLNNOUGCSHLKC-FVTFTPSCSA-N 2 1 369.553 3.278 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000489684244 503010643 /nfs/dbraw/zinc/01/06/43/503010643.db2.gz MCWGESPGGYWMOG-LSDHHAIUSA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000489684244 503010647 /nfs/dbraw/zinc/01/06/47/503010647.db2.gz MCWGESPGGYWMOG-LSDHHAIUSA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000489684244 503010649 /nfs/dbraw/zinc/01/06/49/503010649.db2.gz MCWGESPGGYWMOG-LSDHHAIUSA-N 2 1 358.452 3.493 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1)[C@H](CO)C(C)(C)C ZINC000489686828 503011293 /nfs/dbraw/zinc/01/12/93/503011293.db2.gz RPCLDNABRSOZRC-WOJBJXKFSA-N 2 1 364.574 3.364 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000501462805 503014586 /nfs/dbraw/zinc/01/45/86/503014586.db2.gz QZGAUYVGJQXPMT-PUHATCMVSA-N 2 1 365.521 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000501462805 503014589 /nfs/dbraw/zinc/01/45/89/503014589.db2.gz QZGAUYVGJQXPMT-PUHATCMVSA-N 2 1 365.521 3.334 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501489626 503019266 /nfs/dbraw/zinc/01/92/66/503019266.db2.gz GLSFPLARSOJEJD-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000501489626 503019269 /nfs/dbraw/zinc/01/92/69/503019269.db2.gz GLSFPLARSOJEJD-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000501489626 503019274 /nfs/dbraw/zinc/01/92/74/503019274.db2.gz GLSFPLARSOJEJD-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515807 503026417 /nfs/dbraw/zinc/02/64/17/503026417.db2.gz CUEOOZWPQBYORS-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515807 503026421 /nfs/dbraw/zinc/02/64/21/503026421.db2.gz CUEOOZWPQBYORS-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000501531025 503030411 /nfs/dbraw/zinc/03/04/11/503030411.db2.gz KAXDTIQUQHITQY-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501531025 503030416 /nfs/dbraw/zinc/03/04/16/503030416.db2.gz KAXDTIQUQHITQY-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501531025 503030420 /nfs/dbraw/zinc/03/04/20/503030420.db2.gz KAXDTIQUQHITQY-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489785839 503034310 /nfs/dbraw/zinc/03/43/10/503034310.db2.gz ADFZVMHSGYEKJS-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489786369 503035074 /nfs/dbraw/zinc/03/50/74/503035074.db2.gz BGOFNMQLZNANLK-PWRODBHTSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513880579 503040925 /nfs/dbraw/zinc/04/09/25/503040925.db2.gz AAMXPQQKENHPBK-CYBMUJFWSA-N 2 1 358.313 3.150 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000513880579 503040930 /nfs/dbraw/zinc/04/09/30/503040930.db2.gz AAMXPQQKENHPBK-CYBMUJFWSA-N 2 1 358.313 3.150 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3cccc4ccccc43)CC2)CC1 ZINC000513881808 503041177 /nfs/dbraw/zinc/04/11/77/503041177.db2.gz WKUPPOZADRHJNN-UHFFFAOYSA-N 2 1 365.521 3.183 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835318 503050410 /nfs/dbraw/zinc/05/04/10/503050410.db2.gz GCJHNIWJWBSBBE-XYJFISCASA-N 2 1 362.518 3.025 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835316 503050511 /nfs/dbraw/zinc/05/05/11/503050511.db2.gz GCJHNIWJWBSBBE-JZXOWHBKSA-N 2 1 362.518 3.025 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904827 503060831 /nfs/dbraw/zinc/06/08/31/503060831.db2.gz CTVMWKZLMYCYOB-TZMCWYRMSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904827 503060837 /nfs/dbraw/zinc/06/08/37/503060837.db2.gz CTVMWKZLMYCYOB-TZMCWYRMSA-N 2 1 358.313 3.374 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000514027654 503071760 /nfs/dbraw/zinc/07/17/60/503071760.db2.gz UZFXNWKOISMTMA-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CN(C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])C(c1ccccc1)c1ccccc1 ZINC000489960761 503076223 /nfs/dbraw/zinc/07/62/23/503076223.db2.gz YAOSWUCLVMIUMG-OAQYLSRUSA-N 2 1 365.521 3.438 20 0 FGADMP CN(C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])C(c1ccccc1)c1ccccc1 ZINC000489960761 503076228 /nfs/dbraw/zinc/07/62/28/503076228.db2.gz YAOSWUCLVMIUMG-OAQYLSRUSA-N 2 1 365.521 3.438 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000514131412 503095817 /nfs/dbraw/zinc/09/58/17/503095817.db2.gz YAPCZAFGSHUVDL-SFHVURJKSA-N 2 1 367.493 3.294 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Oc2ccccc2)cc1 ZINC000514131411 503095871 /nfs/dbraw/zinc/09/58/71/503095871.db2.gz YAPCZAFGSHUVDL-GOSISDBHSA-N 2 1 367.493 3.294 20 0 FGADMP CC[C@@H](C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514145630 503098343 /nfs/dbraw/zinc/09/83/43/503098343.db2.gz OSRDOZRQZZBWOD-BEFAXECRSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514196679 503109641 /nfs/dbraw/zinc/10/96/41/503109641.db2.gz AHVPPERNFAOIMN-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197521 503110276 /nfs/dbraw/zinc/11/02/76/503110276.db2.gz ORFSNDJFSIKGQF-ICSRJNTNSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000514245433 503124371 /nfs/dbraw/zinc/12/43/71/503124371.db2.gz XRCVGHZESMSSGR-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000514245433 503124374 /nfs/dbraw/zinc/12/43/74/503124374.db2.gz XRCVGHZESMSSGR-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000514245433 503124378 /nfs/dbraw/zinc/12/43/78/503124378.db2.gz XRCVGHZESMSSGR-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000510542727 503139172 /nfs/dbraw/zinc/13/91/72/503139172.db2.gz BOQJHFOLICKPHS-XLIONFOSSA-N 2 1 358.530 3.019 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615565 503156241 /nfs/dbraw/zinc/15/62/41/503156241.db2.gz CPRWEAYHHUSIBV-RTWAWAEBSA-N 2 1 357.542 3.074 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615565 503156243 /nfs/dbraw/zinc/15/62/43/503156243.db2.gz CPRWEAYHHUSIBV-RTWAWAEBSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615565 503156245 /nfs/dbraw/zinc/15/62/45/503156245.db2.gz CPRWEAYHHUSIBV-RTWAWAEBSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615565 503156248 /nfs/dbraw/zinc/15/62/48/503156248.db2.gz CPRWEAYHHUSIBV-RTWAWAEBSA-N 2 1 357.542 3.074 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736176 503181852 /nfs/dbraw/zinc/18/18/52/503181852.db2.gz QGLCVVLUAQXJEQ-KRWDZBQOSA-N 2 1 353.501 3.293 20 0 FGADMP CCCNC(=O)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000514792108 503194958 /nfs/dbraw/zinc/19/49/58/503194958.db2.gz HGQSWSREVOBXGH-QGZVFWFLSA-N 2 1 351.560 3.117 20 0 FGADMP CCCNC(=O)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000514792108 503194963 /nfs/dbraw/zinc/19/49/63/503194963.db2.gz HGQSWSREVOBXGH-QGZVFWFLSA-N 2 1 351.560 3.117 20 0 FGADMP CCCNC(=O)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000514792108 503194968 /nfs/dbraw/zinc/19/49/68/503194968.db2.gz HGQSWSREVOBXGH-QGZVFWFLSA-N 2 1 351.560 3.117 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nnnn2-c2ccccc2)cc1 ZINC000510926061 503219400 /nfs/dbraw/zinc/21/94/00/503219400.db2.gz BDYCSZSHYVHRGA-MRXNPFEDSA-N 2 1 373.464 3.050 20 0 FGADMP CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000514896218 503221878 /nfs/dbraw/zinc/22/18/78/503221878.db2.gz KHEIEZGNGXLLBT-FCHUYYIVSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000514896218 503221882 /nfs/dbraw/zinc/22/18/82/503221882.db2.gz KHEIEZGNGXLLBT-FCHUYYIVSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000514896218 503221886 /nfs/dbraw/zinc/22/18/86/503221886.db2.gz KHEIEZGNGXLLBT-FCHUYYIVSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000514896218 503221889 /nfs/dbraw/zinc/22/18/89/503221889.db2.gz KHEIEZGNGXLLBT-FCHUYYIVSA-N 2 1 364.537 3.492 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000498625415 503227937 /nfs/dbraw/zinc/22/79/37/503227937.db2.gz FHDGZGYSUDPJBG-HLIPFELVSA-N 2 1 361.530 3.401 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000502706367 503254890 /nfs/dbraw/zinc/25/48/90/503254890.db2.gz FTWNWCPKWRHKHX-FGZHOGPDSA-N 2 1 359.558 3.119 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC000502719067 503258057 /nfs/dbraw/zinc/25/80/57/503258057.db2.gz AOCLXJRKXMRJJZ-UHFFFAOYSA-N 2 1 358.461 3.005 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000515046398 503258862 /nfs/dbraw/zinc/25/88/62/503258862.db2.gz PRYLMXQSJXWULP-KKSFZXQISA-N 2 1 364.493 3.117 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056031 503265916 /nfs/dbraw/zinc/26/59/16/503265916.db2.gz BBJLKJDDQMBRPT-FCHUYYIVSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056031 503265919 /nfs/dbraw/zinc/26/59/19/503265919.db2.gz BBJLKJDDQMBRPT-FCHUYYIVSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851935 503276341 /nfs/dbraw/zinc/27/63/41/503276341.db2.gz FKZLSUIEFPLYQT-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851935 503276344 /nfs/dbraw/zinc/27/63/44/503276344.db2.gz FKZLSUIEFPLYQT-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000498875488 503280314 /nfs/dbraw/zinc/28/03/14/503280314.db2.gz VIJDSHHUTPHRQN-UHFFFAOYSA-N 2 1 353.514 3.343 20 0 FGADMP C[N@H+]1CCC[C@H](CNCc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243221 503285385 /nfs/dbraw/zinc/28/53/85/503285385.db2.gz OWUNVAWFZJJZMG-FOIQADDNSA-N 2 1 371.506 3.252 20 0 FGADMP CN1CCC[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243221 503285390 /nfs/dbraw/zinc/28/53/90/503285390.db2.gz OWUNVAWFZJJZMG-FOIQADDNSA-N 2 1 371.506 3.252 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243221 503285394 /nfs/dbraw/zinc/28/53/94/503285394.db2.gz OWUNVAWFZJJZMG-FOIQADDNSA-N 2 1 371.506 3.252 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243221 503285396 /nfs/dbraw/zinc/28/53/96/503285396.db2.gz OWUNVAWFZJJZMG-FOIQADDNSA-N 2 1 371.506 3.252 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000511242055 503285517 /nfs/dbraw/zinc/28/55/17/503285517.db2.gz LSYWVJIGNJCCSZ-DNVCBOLYSA-N 2 1 371.506 3.366 20 0 FGADMP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000515197022 503289964 /nfs/dbraw/zinc/28/99/64/503289964.db2.gz UABYRYAAGHLDGY-GOSISDBHSA-N 2 1 365.949 3.339 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000515197022 503289968 /nfs/dbraw/zinc/28/99/68/503289968.db2.gz UABYRYAAGHLDGY-GOSISDBHSA-N 2 1 365.949 3.339 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000515294260 503307983 /nfs/dbraw/zinc/30/79/83/503307983.db2.gz JBOSSAIGYORCNU-FPOVZHCZSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484848 503312443 /nfs/dbraw/zinc/31/24/43/503312443.db2.gz LHCILPOAAKNQBB-DYESRHJHSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484848 503312448 /nfs/dbraw/zinc/31/24/48/503312448.db2.gz LHCILPOAAKNQBB-DYESRHJHSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502781 503333817 /nfs/dbraw/zinc/33/38/17/503333817.db2.gz FOURYZXGBMBPCY-RLLQIKCJSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502781 503333820 /nfs/dbraw/zinc/33/38/20/503333820.db2.gz FOURYZXGBMBPCY-RLLQIKCJSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502781 503333824 /nfs/dbraw/zinc/33/38/24/503333824.db2.gz FOURYZXGBMBPCY-RLLQIKCJSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000511523008 503336873 /nfs/dbraw/zinc/33/68/73/503336873.db2.gz DXVYLJVSPVQIEZ-UHFFFAOYSA-N 2 1 356.514 3.066 20 0 FGADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)N1CCCc2ccccc21 ZINC000503099482 503347110 /nfs/dbraw/zinc/34/71/10/503347110.db2.gz WHGQMNYYDURZQL-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000507853097 503380266 /nfs/dbraw/zinc/38/02/66/503380266.db2.gz SPYLFPUOIBCGMB-IBGZPJMESA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000507853097 503380271 /nfs/dbraw/zinc/38/02/71/503380271.db2.gz SPYLFPUOIBCGMB-IBGZPJMESA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000503303692 503386348 /nfs/dbraw/zinc/38/63/48/503386348.db2.gz FWGOQSYNGJAAOW-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000503385941 503398601 /nfs/dbraw/zinc/39/86/01/503398601.db2.gz KNMUSOPOFMRHSK-UHOSZYNNSA-N 2 1 360.546 3.097 20 0 FGADMP COCc1cccc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000511844437 503398911 /nfs/dbraw/zinc/39/89/11/503398911.db2.gz QLPMKOXOLMJPQV-UHFFFAOYSA-N 2 1 367.537 3.083 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832088 503408901 /nfs/dbraw/zinc/40/89/01/503408901.db2.gz JCBUVNSPDMKEIH-GPLKVYFTSA-N 2 1 366.933 3.383 20 0 FGADMP Cc1ccccc1C1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCOCC1 ZINC000512083663 503453015 /nfs/dbraw/zinc/45/30/15/503453015.db2.gz RWCSWTZOJBOQGH-UHFFFAOYSA-N 2 1 359.539 3.351 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000503741728 503468066 /nfs/dbraw/zinc/46/80/66/503468066.db2.gz XURVCIDJSWBMDK-OALUTQOASA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccccc2Cl)CC1 ZINC000516207836 503470512 /nfs/dbraw/zinc/47/05/12/503470512.db2.gz RDVHAYQPYBLXII-UHFFFAOYSA-N 2 1 358.873 3.058 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000512258174 503500462 /nfs/dbraw/zinc/50/04/62/503500462.db2.gz CPIGVTKJFZITSG-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OCC)cc2)CC1 ZINC000512258174 503500466 /nfs/dbraw/zinc/50/04/66/503500466.db2.gz CPIGVTKJFZITSG-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000499924221 503512141 /nfs/dbraw/zinc/51/21/41/503512141.db2.gz WSIWTPCHUWZRRC-BZSNNMDCSA-N 2 1 374.529 3.026 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000499924221 503512144 /nfs/dbraw/zinc/51/21/44/503512144.db2.gz WSIWTPCHUWZRRC-BZSNNMDCSA-N 2 1 374.529 3.026 20 0 FGADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000494263185 503515002 /nfs/dbraw/zinc/51/50/02/503515002.db2.gz WEMQDAHYJUTPLT-ZHFOUCBBSA-N 2 1 365.521 3.441 20 0 FGADMP C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000494263185 503515003 /nfs/dbraw/zinc/51/50/03/503515003.db2.gz WEMQDAHYJUTPLT-ZHFOUCBBSA-N 2 1 365.521 3.441 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013189 506376539 /nfs/dbraw/zinc/37/65/39/506376539.db2.gz VUZFXZMJPBNBGN-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013189 506376545 /nfs/dbraw/zinc/37/65/45/506376545.db2.gz VUZFXZMJPBNBGN-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000608013189 506376549 /nfs/dbraw/zinc/37/65/49/506376549.db2.gz VUZFXZMJPBNBGN-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000608013189 506376554 /nfs/dbraw/zinc/37/65/54/506376554.db2.gz VUZFXZMJPBNBGN-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1ccccc1CCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000504207912 503538458 /nfs/dbraw/zinc/53/84/58/503538458.db2.gz OIYWINXXIXGMFX-HXUWFJFHSA-N 2 1 352.526 3.305 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000500103499 503554681 /nfs/dbraw/zinc/55/46/81/503554681.db2.gz TVVAGYZLDZZTSY-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000500103499 503554684 /nfs/dbraw/zinc/55/46/84/503554684.db2.gz TVVAGYZLDZZTSY-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[C@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000516660811 503563207 /nfs/dbraw/zinc/56/32/07/503563207.db2.gz CLCALZWKSGZJJY-PXNSSMCTSA-N 2 1 354.498 3.101 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620647 503597288 /nfs/dbraw/zinc/59/72/88/503597288.db2.gz RVCZVTSOKRIVNK-PWRODBHTSA-N 2 1 350.510 3.218 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627102 503598147 /nfs/dbraw/zinc/59/81/47/503598147.db2.gz ZYZGYGBMCSTVBA-ACRUOGEOSA-N 2 1 350.510 3.384 20 0 FGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H]1C ZINC000512673587 503609408 /nfs/dbraw/zinc/60/94/08/503609408.db2.gz RHLUEXBYSPLZFO-OVQGTLEDSA-N 2 1 357.542 3.298 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C[C@@H]1C ZINC000512713182 503619256 /nfs/dbraw/zinc/61/92/56/503619256.db2.gz XOWBBCMTOVVZNU-XFKSJGNHSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C[C@@H]1C ZINC000512713182 503619258 /nfs/dbraw/zinc/61/92/58/503619258.db2.gz XOWBBCMTOVVZNU-XFKSJGNHSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C[C@@H]1C ZINC000512713182 503619261 /nfs/dbraw/zinc/61/92/61/503619261.db2.gz XOWBBCMTOVVZNU-XFKSJGNHSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494891645 503631607 /nfs/dbraw/zinc/63/16/07/503631607.db2.gz IMZSVMGGROOMTI-QKLQHJQFSA-N 2 1 357.542 3.311 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680157 503676321 /nfs/dbraw/zinc/67/63/21/503676321.db2.gz DVMHTIUAYLMWOL-QGZVFWFLSA-N 2 1 356.470 3.112 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680157 503676324 /nfs/dbraw/zinc/67/63/24/503676324.db2.gz DVMHTIUAYLMWOL-QGZVFWFLSA-N 2 1 356.470 3.112 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680157 503676326 /nfs/dbraw/zinc/67/63/26/503676326.db2.gz DVMHTIUAYLMWOL-QGZVFWFLSA-N 2 1 356.470 3.112 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680157 503676330 /nfs/dbraw/zinc/67/63/30/503676330.db2.gz DVMHTIUAYLMWOL-QGZVFWFLSA-N 2 1 356.470 3.112 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000527099070 503678991 /nfs/dbraw/zinc/67/89/91/503678991.db2.gz ZUAHLYOTMPOUHJ-APWZRJJASA-N 2 1 361.530 3.397 20 0 FGADMP CC(C)[C@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532975831 503682689 /nfs/dbraw/zinc/68/26/89/503682689.db2.gz XMRHCONQBXSCBS-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CCC1 ZINC000532977474 503682768 /nfs/dbraw/zinc/68/27/68/503682768.db2.gz IIECLFYDKRKWMF-OAQYLSRUSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000517245558 503692939 /nfs/dbraw/zinc/69/29/39/503692939.db2.gz UOIQKIOBQQWWJQ-YYWHXJBOSA-N 2 1 361.574 3.220 20 0 FGADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000543294156 503713561 /nfs/dbraw/zinc/71/35/61/503713561.db2.gz JZPKMNJZESFQAW-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000543294156 503713565 /nfs/dbraw/zinc/71/35/65/503713565.db2.gz JZPKMNJZESFQAW-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1[C@H](C)[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000543294156 503713567 /nfs/dbraw/zinc/71/35/67/503713567.db2.gz JZPKMNJZESFQAW-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000533084782 503726068 /nfs/dbraw/zinc/72/60/68/503726068.db2.gz HCFXJSHDQWUBOL-UYJHFMRCSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543703 503766682 /nfs/dbraw/zinc/76/66/82/503766682.db2.gz ZLBUZDUJYAIFEF-FXAWDEMLSA-N 2 1 372.557 3.384 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000517651964 503797318 /nfs/dbraw/zinc/79/73/18/503797318.db2.gz WCPIEAUKUUNTCK-UONOGXRCSA-N 2 1 370.419 3.141 20 0 FGADMP CN(CCC[NH+](C)C)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000540516935 503801823 /nfs/dbraw/zinc/80/18/23/503801823.db2.gz ZXPHAPRLWHWEDN-UHFFFAOYSA-N 2 1 353.510 3.099 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000527481610 503805188 /nfs/dbraw/zinc/80/51/88/503805188.db2.gz SBHRBFMXAFPFHP-MRXNPFEDSA-N 2 1 352.544 3.203 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000527481610 503805192 /nfs/dbraw/zinc/80/51/92/503805192.db2.gz SBHRBFMXAFPFHP-MRXNPFEDSA-N 2 1 352.544 3.203 20 0 FGADMP C[C@H]1CCc2c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)csc2C1 ZINC000517731513 503819953 /nfs/dbraw/zinc/81/99/53/503819953.db2.gz GNNDQEKMEAUBFE-AWEZNQCLSA-N 2 1 370.522 3.272 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173997 503826806 /nfs/dbraw/zinc/82/68/06/503826806.db2.gz SGRTZWWXKDMPRG-ICSRJNTNSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@H]1CCCCN1CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173997 503826813 /nfs/dbraw/zinc/82/68/13/503826813.db2.gz SGRTZWWXKDMPRG-ICSRJNTNSA-N 2 1 357.542 3.439 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C12CCCC2 ZINC000540595329 503828127 /nfs/dbraw/zinc/82/81/27/503828127.db2.gz YXPRJVFDWQHWCQ-LNRXMEIDSA-N 2 1 372.553 3.197 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C12CCCC2 ZINC000540595329 503828133 /nfs/dbraw/zinc/82/81/33/503828133.db2.gz YXPRJVFDWQHWCQ-LNRXMEIDSA-N 2 1 372.553 3.197 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000540597058 503828918 /nfs/dbraw/zinc/82/89/18/503828918.db2.gz GLVJGTIBLNJRFZ-JKSUJKDBSA-N 2 1 359.283 3.086 20 0 FGADMP COc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1Cl ZINC000533408131 503834478 /nfs/dbraw/zinc/83/44/78/503834478.db2.gz PAINMZBEIOBGHC-UHFFFAOYSA-N 2 1 367.921 3.339 20 0 FGADMP COc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1Cl ZINC000533408131 503834482 /nfs/dbraw/zinc/83/44/82/503834482.db2.gz PAINMZBEIOBGHC-UHFFFAOYSA-N 2 1 367.921 3.339 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000533408102 503834954 /nfs/dbraw/zinc/83/49/54/503834954.db2.gz MDGXRCCXWKUBSE-NRFANRHFSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000517891617 503859661 /nfs/dbraw/zinc/85/96/61/503859661.db2.gz UJDRIISRMVSLKH-YADHBBJMSA-N 2 1 367.537 3.359 20 0 FGADMP C[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(Br)c1 ZINC000546760866 503867670 /nfs/dbraw/zinc/86/76/70/503867670.db2.gz HIUUKEWNHJIUBK-CYBMUJFWSA-N 2 1 364.287 3.467 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000517922578 503868564 /nfs/dbraw/zinc/86/85/64/503868564.db2.gz KIMKLZICLMDXGY-HXUWFJFHSA-N 2 1 360.473 3.195 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216373 503880573 /nfs/dbraw/zinc/88/05/73/503880573.db2.gz BCHYSEIFMNUOLF-IUODEOHRSA-N 2 1 355.404 3.297 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000527669868 503886549 /nfs/dbraw/zinc/88/65/49/503886549.db2.gz ZRLIEYBRHCYYDT-JQWIXIFHSA-N 2 1 369.332 3.473 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000527669873 503887020 /nfs/dbraw/zinc/88/70/20/503887020.db2.gz ZRLIEYBRHCYYDT-ZYHUDNBSSA-N 2 1 369.332 3.473 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(CC)CC ZINC000543777245 503887974 /nfs/dbraw/zinc/88/79/74/503887974.db2.gz RMXQGTZDVVLEDS-NJDAHSKKSA-N 2 1 360.542 3.327 20 0 FGADMP Cc1ccc(N[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833094 503908666 /nfs/dbraw/zinc/90/86/66/503908666.db2.gz JYRGHSOROHGHQG-HKUYNNGSSA-N 2 1 358.530 3.172 20 0 FGADMP Cc1ccc(N[C@H]2CC[N@H+](C)C[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833094 503908672 /nfs/dbraw/zinc/90/86/72/503908672.db2.gz JYRGHSOROHGHQG-HKUYNNGSSA-N 2 1 358.530 3.172 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@H+]3C3CCCC3)CC2)cc1 ZINC000527805453 503951818 /nfs/dbraw/zinc/95/18/18/503951818.db2.gz AIJOZQYNUCEAJG-QFIPXVFZSA-N 2 1 359.533 3.439 20 0 FGADMP COCC[C@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000533832054 503964430 /nfs/dbraw/zinc/96/44/30/503964430.db2.gz QJWZJXLCYBIINX-RZUBCFFCSA-N 2 1 359.558 3.255 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3ccccc3F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000543995410 503965889 /nfs/dbraw/zinc/96/58/89/503965889.db2.gz JSVNXVBUFNOQGI-OBFZPWGMSA-N 2 1 354.469 3.298 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3ccccc3F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543995410 503965893 /nfs/dbraw/zinc/96/58/93/503965893.db2.gz JSVNXVBUFNOQGI-OBFZPWGMSA-N 2 1 354.469 3.298 20 0 FGADMP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(C)C ZINC000540988598 503966312 /nfs/dbraw/zinc/96/63/12/503966312.db2.gz NVVPSNVJZIYBGS-QHAWAJNXSA-N 2 1 360.542 3.327 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000537617294 503976641 /nfs/dbraw/zinc/97/66/41/503976641.db2.gz AQESRLYSAIIXCX-WBVHZDCISA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000537617294 503976644 /nfs/dbraw/zinc/97/66/44/503976644.db2.gz AQESRLYSAIIXCX-WBVHZDCISA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000537617294 503976649 /nfs/dbraw/zinc/97/66/49/503976649.db2.gz AQESRLYSAIIXCX-WBVHZDCISA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000537617294 503976653 /nfs/dbraw/zinc/97/66/53/503976653.db2.gz AQESRLYSAIIXCX-WBVHZDCISA-N 2 1 350.503 3.407 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCOC[C@H]4CCCO4)C3)CC2)cc1 ZINC000518469749 503994393 /nfs/dbraw/zinc/99/43/93/503994393.db2.gz CEOBPQPQGHUGCA-OAQYLSRUSA-N 2 1 358.526 3.170 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000537660636 503996751 /nfs/dbraw/zinc/99/67/51/503996751.db2.gz FSZUWTZURYZGGE-UHFFFAOYSA-N 2 1 371.569 3.391 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527943602 504009745 /nfs/dbraw/zinc/00/97/45/504009745.db2.gz ALTUVCNHQMHUNL-COPCDDAFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527943602 504009752 /nfs/dbraw/zinc/00/97/52/504009752.db2.gz ALTUVCNHQMHUNL-COPCDDAFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527943602 504009760 /nfs/dbraw/zinc/00/97/60/504009760.db2.gz ALTUVCNHQMHUNL-COPCDDAFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527943602 504009770 /nfs/dbraw/zinc/00/97/70/504009770.db2.gz ALTUVCNHQMHUNL-COPCDDAFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527943607 504009804 /nfs/dbraw/zinc/00/98/04/504009804.db2.gz ALTUVCNHQMHUNL-STZQEDGTSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527943607 504009809 /nfs/dbraw/zinc/00/98/09/504009809.db2.gz ALTUVCNHQMHUNL-STZQEDGTSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527943607 504009816 /nfs/dbraw/zinc/00/98/16/504009816.db2.gz ALTUVCNHQMHUNL-STZQEDGTSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527943607 504009820 /nfs/dbraw/zinc/00/98/20/504009820.db2.gz ALTUVCNHQMHUNL-STZQEDGTSA-N 2 1 356.558 3.289 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)C[NH+]1CCCC1 ZINC000534060179 504029521 /nfs/dbraw/zinc/02/95/21/504029521.db2.gz ZXCUESFKRRIDFU-MLGOLLRUSA-N 2 1 373.722 3.136 20 0 FGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000544190227 504042683 /nfs/dbraw/zinc/04/26/83/504042683.db2.gz HLZDVBIFVYQWBF-UYAOXDASSA-N 2 1 373.541 3.263 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000547273029 504044473 /nfs/dbraw/zinc/04/44/73/504044473.db2.gz VJKMZLSYQHFXAY-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286224 504073007 /nfs/dbraw/zinc/07/30/07/504073007.db2.gz IPJIXKLKHJSABN-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1)CC1CC1 ZINC000541326284 504090688 /nfs/dbraw/zinc/09/06/88/504090688.db2.gz WMDPZGOWAGXHLF-HNNXBMFYSA-N 2 1 350.507 3.111 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1)CC1CC1 ZINC000541326284 504090691 /nfs/dbraw/zinc/09/06/91/504090691.db2.gz WMDPZGOWAGXHLF-HNNXBMFYSA-N 2 1 350.507 3.111 20 0 FGADMP Cc1cc([C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358148 504102461 /nfs/dbraw/zinc/10/24/61/504102461.db2.gz LTDKWFJRRALDSU-QFIPXVFZSA-N 2 1 370.516 3.236 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000544363718 504103934 /nfs/dbraw/zinc/10/39/34/504103934.db2.gz VZESNUABDQPISQ-IFMALSPDSA-N 2 1 359.558 3.222 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000544363718 504103940 /nfs/dbraw/zinc/10/39/40/504103940.db2.gz VZESNUABDQPISQ-IFMALSPDSA-N 2 1 359.558 3.222 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385298 504113209 /nfs/dbraw/zinc/11/32/09/504113209.db2.gz KCFDFVYZUBDXFB-RHSMWYFYSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@H](CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000541441518 504131003 /nfs/dbraw/zinc/13/10/03/504131003.db2.gz FYXJNEWPLGXJJF-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000538216925 504165315 /nfs/dbraw/zinc/16/53/15/504165315.db2.gz WKDPVXOTJOPWSB-FCHUYYIVSA-N 2 1 354.469 3.430 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000538216925 504165316 /nfs/dbraw/zinc/16/53/16/504165316.db2.gz WKDPVXOTJOPWSB-FCHUYYIVSA-N 2 1 354.469 3.430 20 0 FGADMP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000541542518 504170087 /nfs/dbraw/zinc/17/00/87/504170087.db2.gz YYZJLWABUBABLX-OAQYLSRUSA-N 2 1 374.479 3.065 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528330796 504173351 /nfs/dbraw/zinc/17/33/51/504173351.db2.gz ZIBGKESWCJEXEX-LJQANCHMSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528330796 504173354 /nfs/dbraw/zinc/17/33/54/504173354.db2.gz ZIBGKESWCJEXEX-LJQANCHMSA-N 2 1 363.933 3.153 20 0 FGADMP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](CC)CC ZINC000531056835 504173523 /nfs/dbraw/zinc/17/35/23/504173523.db2.gz BLGDXZZZDDGXJH-OTYNDTSQSA-N 2 1 357.542 3.419 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000519311728 504189551 /nfs/dbraw/zinc/18/95/51/504189551.db2.gz NQNJYZFSBGGCQI-BTYSMDAFSA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000519311728 504189557 /nfs/dbraw/zinc/18/95/57/504189557.db2.gz NQNJYZFSBGGCQI-BTYSMDAFSA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@@H](C)C1 ZINC000519311728 504189561 /nfs/dbraw/zinc/18/95/61/504189561.db2.gz NQNJYZFSBGGCQI-BTYSMDAFSA-N 2 1 361.530 3.080 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139523 504201951 /nfs/dbraw/zinc/20/19/51/504201951.db2.gz CBLKDEFQCJWYFC-RYQLBKOJSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139523 504201955 /nfs/dbraw/zinc/20/19/55/504201955.db2.gz CBLKDEFQCJWYFC-RYQLBKOJSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139523 504201958 /nfs/dbraw/zinc/20/19/58/504201958.db2.gz CBLKDEFQCJWYFC-RYQLBKOJSA-N 2 1 354.922 3.022 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(OC(C)(C)C)cc2)CC1 ZINC000531185282 504217862 /nfs/dbraw/zinc/21/78/62/504217862.db2.gz YXAULSGLBIYVHN-UHFFFAOYSA-N 2 1 368.481 3.263 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000519489336 504231572 /nfs/dbraw/zinc/23/15/72/504231572.db2.gz LQXPNMSNLUMUND-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C12CCC2 ZINC000538394024 504233029 /nfs/dbraw/zinc/23/30/29/504233029.db2.gz LOQXKHBYAJIPQQ-RBUKOAKNSA-N 2 1 350.547 3.347 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396097 504234073 /nfs/dbraw/zinc/23/40/73/504234073.db2.gz QBDFKFHFBXEHDM-BURNTYAHSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396097 504234077 /nfs/dbraw/zinc/23/40/77/504234077.db2.gz QBDFKFHFBXEHDM-BURNTYAHSA-N 2 1 360.542 3.489 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000544757495 504246897 /nfs/dbraw/zinc/24/68/97/504246897.db2.gz OIXBKAAEQDOERW-CYBMUJFWSA-N 2 1 365.465 3.403 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000544757495 504246904 /nfs/dbraw/zinc/24/69/04/504246904.db2.gz OIXBKAAEQDOERW-CYBMUJFWSA-N 2 1 365.465 3.403 20 0 FGADMP CC[C@H](C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1)[NH+](CC)CC ZINC000531294173 504256181 /nfs/dbraw/zinc/25/61/81/504256181.db2.gz DJHSWUAMPNLELX-ABSDTBQOSA-N 2 1 361.530 3.355 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000528577858 504279784 /nfs/dbraw/zinc/27/97/84/504279784.db2.gz BSESLJNHBQHGRZ-BHDDXSALSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000528577858 504279791 /nfs/dbraw/zinc/27/97/91/504279791.db2.gz BSESLJNHBQHGRZ-BHDDXSALSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000528577858 504279801 /nfs/dbraw/zinc/27/98/01/504279801.db2.gz BSESLJNHBQHGRZ-BHDDXSALSA-N 2 1 371.569 3.335 20 0 FGADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cnc1N1CCCC[C@H]1C ZINC000541878195 504286549 /nfs/dbraw/zinc/28/65/49/504286549.db2.gz ZYGZONUPIKSRBR-IAGOWNOFSA-N 2 1 359.518 3.232 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381923 504286950 /nfs/dbraw/zinc/28/69/50/504286950.db2.gz FPNFHVJDHDKZKQ-IWLVTHKOSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381923 504286971 /nfs/dbraw/zinc/28/69/71/504286971.db2.gz FPNFHVJDHDKZKQ-IWLVTHKOSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381923 504286978 /nfs/dbraw/zinc/28/69/78/504286978.db2.gz FPNFHVJDHDKZKQ-IWLVTHKOSA-N 2 1 360.542 3.246 20 0 FGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCOC[C@H]2CCCO2)CC3)cc1 ZINC000534964767 504296797 /nfs/dbraw/zinc/29/67/97/504296797.db2.gz AHZUDVOWLYDNER-OAQYLSRUSA-N 2 1 358.526 3.170 20 0 FGADMP CC(C)(C(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1)c1c[nH]cn1 ZINC000548082335 504322671 /nfs/dbraw/zinc/32/26/71/504322671.db2.gz VIZAUCPLXCTZRF-MRXNPFEDSA-N 2 1 360.889 3.294 20 0 FGADMP Brc1c[nH+]ccc1N1CCN(CCc2cccs2)CC1 ZINC000548154434 504349821 /nfs/dbraw/zinc/34/98/21/504349821.db2.gz ZXIOTAMMOHZXLP-UHFFFAOYSA-N 2 1 352.301 3.270 20 0 FGADMP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155882 504350690 /nfs/dbraw/zinc/35/06/90/504350690.db2.gz ZFEXWIOSMMQCCX-FUHWJXTLSA-N 2 1 357.464 3.371 20 0 FGADMP CC(C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000519923809 504385047 /nfs/dbraw/zinc/38/50/47/504385047.db2.gz PPLHRCOVLWKYIW-IBGZPJMESA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000531683356 504392289 /nfs/dbraw/zinc/39/22/89/504392289.db2.gz IEXJHPZHVHBVPH-UONOGXRCSA-N 2 1 369.431 3.496 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226421 504440248 /nfs/dbraw/zinc/44/02/48/504440248.db2.gz QNPKFIPBRAHSMT-VQTJNVASSA-N 2 1 355.526 3.133 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483920 504462436 /nfs/dbraw/zinc/46/24/36/504462436.db2.gz BAKZPPIXDRRGOB-RXVVDRJESA-N 2 1 369.509 3.107 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc2cccnc12 ZINC000542463837 504500913 /nfs/dbraw/zinc/50/09/13/504500913.db2.gz BDHVONGILYKVTC-NRFANRHFSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc2cccnc12 ZINC000542463837 504500914 /nfs/dbraw/zinc/50/09/14/504500914.db2.gz BDHVONGILYKVTC-NRFANRHFSA-N 2 1 352.526 3.145 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000539294738 504521783 /nfs/dbraw/zinc/52/17/83/504521783.db2.gz FKWPGFMLKNBAQG-OTWHNJEPSA-N 2 1 370.541 3.280 20 0 FGADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000532075839 504526969 /nfs/dbraw/zinc/52/69/69/504526969.db2.gz VPMIFXLAHYMLPH-SFHLNBCPSA-N 2 1 374.573 3.393 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639559 504546803 /nfs/dbraw/zinc/54/68/03/504546803.db2.gz FTRFCJOCIZHNFB-ICSRJNTNSA-N 2 1 366.509 3.361 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639559 504546810 /nfs/dbraw/zinc/54/68/10/504546810.db2.gz FTRFCJOCIZHNFB-ICSRJNTNSA-N 2 1 366.509 3.361 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174481 504566736 /nfs/dbraw/zinc/56/67/36/504566736.db2.gz PMYUSUXQWJOHHV-MOPGFXCFSA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174481 504566740 /nfs/dbraw/zinc/56/67/40/504566740.db2.gz PMYUSUXQWJOHHV-MOPGFXCFSA-N 2 1 363.933 3.247 20 0 FGADMP CCc1ncc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000539426987 504567959 /nfs/dbraw/zinc/56/79/59/504567959.db2.gz CPKGVJXVWBHPGG-UHFFFAOYSA-N 2 1 372.582 3.393 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520734734 504569369 /nfs/dbraw/zinc/56/93/69/504569369.db2.gz PXMQQBIUVIKRMV-UYAOXDASSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734734 504569375 /nfs/dbraw/zinc/56/93/75/504569375.db2.gz PXMQQBIUVIKRMV-UYAOXDASSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734734 504569380 /nfs/dbraw/zinc/56/93/80/504569380.db2.gz PXMQQBIUVIKRMV-UYAOXDASSA-N 2 1 373.516 3.171 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000520794941 504583913 /nfs/dbraw/zinc/58/39/13/504583913.db2.gz MGRWWJARXIMDHM-CEXWTWQISA-N 2 1 351.579 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542786169 504609290 /nfs/dbraw/zinc/60/92/90/504609290.db2.gz FIJFNFDNKMKHFH-IBGZPJMESA-N 2 1 372.557 3.411 20 0 FGADMP CN(CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784992 504609805 /nfs/dbraw/zinc/60/98/05/504609805.db2.gz KXLWLVMPSWBUAH-ICSRJNTNSA-N 2 1 372.900 3.123 20 0 FGADMP CN(CCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784992 504609806 /nfs/dbraw/zinc/60/98/06/504609806.db2.gz KXLWLVMPSWBUAH-ICSRJNTNSA-N 2 1 372.900 3.123 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000548933415 504627310 /nfs/dbraw/zinc/62/73/10/504627310.db2.gz UANLTRUFNGBZBX-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000548933415 504627315 /nfs/dbraw/zinc/62/73/15/504627315.db2.gz UANLTRUFNGBZBX-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840345 504631100 /nfs/dbraw/zinc/63/11/00/504631100.db2.gz JLPKXOAOPSGBPC-HNNXBMFYSA-N 2 1 352.404 3.275 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000529316986 504632984 /nfs/dbraw/zinc/63/29/84/504632984.db2.gz MQTAMPXSBHTAOO-FQEVSTJZSA-N 2 1 372.557 3.392 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000532446731 504655190 /nfs/dbraw/zinc/65/51/90/504655190.db2.gz UUEDOZPTOWRYMT-WIYYLYMNSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000532446731 504655200 /nfs/dbraw/zinc/65/52/00/504655200.db2.gz UUEDOZPTOWRYMT-WIYYLYMNSA-N 2 1 369.509 3.107 20 0 FGADMP CC(C)C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532523293 504682127 /nfs/dbraw/zinc/68/21/27/504682127.db2.gz VVNFNNZFEVBCIB-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H](c1cccc2ccccc21)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000532537967 504685594 /nfs/dbraw/zinc/68/55/94/504685594.db2.gz BSCFASFBZDBMCL-DYESRHJHSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000532537967 504685604 /nfs/dbraw/zinc/68/56/04/504685604.db2.gz BSCFASFBZDBMCL-DYESRHJHSA-N 2 1 351.494 3.139 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000532536651 504685791 /nfs/dbraw/zinc/68/57/91/504685791.db2.gz FVNBEMFJBSGSMK-UHFFFAOYSA-N 2 1 360.527 3.287 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)sc1Br ZINC000539832566 504709624 /nfs/dbraw/zinc/70/96/24/504709624.db2.gz UOKSZEPMDSYTCO-UHFFFAOYSA-N 2 1 361.349 3.362 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)cc1OC ZINC000529567639 504729983 /nfs/dbraw/zinc/72/99/83/504729983.db2.gz MJYPRMCOVPDXAV-MRXNPFEDSA-N 2 1 350.478 3.397 20 0 FGADMP CC[C@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426922 504730873 /nfs/dbraw/zinc/73/08/73/504730873.db2.gz DATJKOFBLQTJNU-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426922 504730876 /nfs/dbraw/zinc/73/08/76/504730876.db2.gz DATJKOFBLQTJNU-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000532737705 504748902 /nfs/dbraw/zinc/74/89/02/504748902.db2.gz NMPRVKARPHOUCR-LPHOPBHVSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000532737705 504748905 /nfs/dbraw/zinc/74/89/05/504748905.db2.gz NMPRVKARPHOUCR-LPHOPBHVSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000532737705 504748909 /nfs/dbraw/zinc/74/89/09/504748909.db2.gz NMPRVKARPHOUCR-LPHOPBHVSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000532737705 504748912 /nfs/dbraw/zinc/74/89/12/504748912.db2.gz NMPRVKARPHOUCR-LPHOPBHVSA-N 2 1 354.498 3.081 20 0 FGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763141 504753996 /nfs/dbraw/zinc/75/39/96/504753996.db2.gz NPRFWDUBFOGXHC-BZSNNMDCSA-N 2 1 371.525 3.304 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763141 504753998 /nfs/dbraw/zinc/75/39/98/504753998.db2.gz NPRFWDUBFOGXHC-BZSNNMDCSA-N 2 1 371.525 3.304 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1CNC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000549247282 504772831 /nfs/dbraw/zinc/77/28/31/504772831.db2.gz MFDZKCWFQOLAIK-IBGZPJMESA-N 2 1 355.530 3.342 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000549247282 504772832 /nfs/dbraw/zinc/77/28/32/504772832.db2.gz MFDZKCWFQOLAIK-IBGZPJMESA-N 2 1 355.530 3.342 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000549247282 504772833 /nfs/dbraw/zinc/77/28/33/504772833.db2.gz MFDZKCWFQOLAIK-IBGZPJMESA-N 2 1 355.530 3.342 20 0 FGADMP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562306329 504778690 /nfs/dbraw/zinc/77/86/90/504778690.db2.gz BJTQZDSAXWSFEX-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000552920868 504787806 /nfs/dbraw/zinc/78/78/06/504787806.db2.gz OFERUPDOZCRIPY-JOCHJYFZSA-N 2 1 356.485 3.026 20 0 FGADMP O=C(C[NH2+][C@@H](CC(F)(F)F)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000552921319 504788067 /nfs/dbraw/zinc/78/80/67/504788067.db2.gz JWVVWZUZYBXHRJ-KRWDZBQOSA-N 2 1 369.431 3.013 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccn1 ZINC000562353368 504792973 /nfs/dbraw/zinc/79/29/73/504792973.db2.gz SNGQXBPRJGRSMQ-IAGOWNOFSA-N 2 1 355.482 3.162 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccn1 ZINC000562353368 504792978 /nfs/dbraw/zinc/79/29/78/504792978.db2.gz SNGQXBPRJGRSMQ-IAGOWNOFSA-N 2 1 355.482 3.162 20 0 FGADMP CCn1nccc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348764 504797887 /nfs/dbraw/zinc/79/78/87/504797887.db2.gz NHBYSFMUYAVYSC-RBBKRZOGSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348764 504797890 /nfs/dbraw/zinc/79/78/90/504797890.db2.gz NHBYSFMUYAVYSC-RBBKRZOGSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549348764 504797894 /nfs/dbraw/zinc/79/78/94/504797894.db2.gz NHBYSFMUYAVYSC-RBBKRZOGSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549348764 504797897 /nfs/dbraw/zinc/79/78/97/504797897.db2.gz NHBYSFMUYAVYSC-RBBKRZOGSA-N 2 1 352.526 3.432 20 0 FGADMP CC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC000552984913 504799050 /nfs/dbraw/zinc/79/90/50/504799050.db2.gz MBNYSQWGBXTNKC-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC000552984913 504799052 /nfs/dbraw/zinc/79/90/52/504799052.db2.gz MBNYSQWGBXTNKC-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H](C)C1 ZINC000552984913 504799056 /nfs/dbraw/zinc/79/90/56/504799056.db2.gz MBNYSQWGBXTNKC-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3cccs3)CC2)CC1 ZINC000553005566 504802846 /nfs/dbraw/zinc/80/28/46/504802846.db2.gz SRLLSCOYGAKOTR-MRXNPFEDSA-N 2 1 363.571 3.464 20 0 FGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000553009434 504803709 /nfs/dbraw/zinc/80/37/09/504803709.db2.gz MZIICXCJVCEZOY-XLIONFOSSA-N 2 1 354.494 3.470 20 0 FGADMP COC1(CC[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000549471455 504831334 /nfs/dbraw/zinc/83/13/34/504831334.db2.gz LURXJIGWBJFMFN-UHFFFAOYSA-N 2 1 351.579 3.074 20 0 FGADMP COC1(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000549471455 504831338 /nfs/dbraw/zinc/83/13/38/504831338.db2.gz LURXJIGWBJFMFN-UHFFFAOYSA-N 3 1 351.579 3.074 20 0 FGADMP COC1(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000549471455 504831343 /nfs/dbraw/zinc/83/13/43/504831343.db2.gz LURXJIGWBJFMFN-UHFFFAOYSA-N 3 1 351.579 3.074 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC000562477812 504832189 /nfs/dbraw/zinc/83/21/89/504832189.db2.gz PWPSSUGJIBNMGX-FGZHOGPDSA-N 2 1 351.494 3.162 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC000562477812 504832193 /nfs/dbraw/zinc/83/21/93/504832193.db2.gz PWPSSUGJIBNMGX-FGZHOGPDSA-N 2 1 351.494 3.162 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177552 504845756 /nfs/dbraw/zinc/84/57/56/504845756.db2.gz HARPZSBQVMBYIY-CTNGQTDRSA-N 2 1 369.484 3.067 20 0 FGADMP CC(C)[C@@]1(CO)CCC[NH+](CCCC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424406 504858818 /nfs/dbraw/zinc/85/88/18/504858818.db2.gz FQGQAQWMGSYDLU-VXKWHMMOSA-N 2 1 368.606 3.228 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)Nc2ccn3ccnc3c2)N2CCCC2)o1 ZINC000565392980 504872997 /nfs/dbraw/zinc/87/29/97/504872997.db2.gz QVPGSMOPRORTCX-MRXNPFEDSA-N 2 1 353.426 3.194 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000549737520 504884577 /nfs/dbraw/zinc/88/45/77/504884577.db2.gz LCEIKDPSBWBFTQ-ROUUACIJSA-N 2 1 359.539 3.378 20 0 FGADMP CC[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000549772702 504894758 /nfs/dbraw/zinc/89/47/58/504894758.db2.gz ZSIJZAGKDRJSRL-OAQYLSRUSA-N 2 1 353.510 3.275 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000565489414 504902823 /nfs/dbraw/zinc/90/28/23/504902823.db2.gz WBTKJCALXCCPJX-LJQANCHMSA-N 2 1 359.901 3.321 20 0 FGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556663034 504932547 /nfs/dbraw/zinc/93/25/47/504932547.db2.gz ZUERJTSNMFHTPD-HNAYVOBHSA-N 2 1 369.912 3.320 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000565612176 504936947 /nfs/dbraw/zinc/93/69/47/504936947.db2.gz IVARMDNVUJGXMV-CTNGQTDRSA-N 2 1 369.484 3.289 20 0 FGADMP CCc1nc(C(C)C)ccc1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000549998981 504949473 /nfs/dbraw/zinc/94/94/73/504949473.db2.gz KNWSURLVCDCNMX-UHFFFAOYSA-N 2 1 354.498 3.493 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097520 504966079 /nfs/dbraw/zinc/96/60/79/504966079.db2.gz RMVUJIOZMXLRAM-PKTZIBPZSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550097520 504966084 /nfs/dbraw/zinc/96/60/84/504966084.db2.gz RMVUJIOZMXLRAM-PKTZIBPZSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550097520 504966087 /nfs/dbraw/zinc/96/60/87/504966087.db2.gz RMVUJIOZMXLRAM-PKTZIBPZSA-N 2 1 368.496 3.327 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H]2CC=CCC2)CC1 ZINC000562894465 504978724 /nfs/dbraw/zinc/97/87/24/504978724.db2.gz PJCXLHXSDNEYQM-FQEVSTJZSA-N 2 1 369.553 3.364 20 0 FGADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884438 505005637 /nfs/dbraw/zinc/00/56/37/505005637.db2.gz KFYCWHBPVPDWLN-LILSUDLASA-N 2 1 369.553 3.182 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(=O)[nH]1 ZINC000556889946 505008043 /nfs/dbraw/zinc/00/80/43/505008043.db2.gz LOUUBCOHCNYIDH-SESVDKBCSA-N 2 1 366.509 3.271 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989911 505011871 /nfs/dbraw/zinc/01/18/71/505011871.db2.gz BMVXWGPTWQJCGV-WIYYLYMNSA-N 2 1 356.510 3.147 20 0 FGADMP C[C@@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563046636 505032622 /nfs/dbraw/zinc/03/26/22/505032622.db2.gz CDBJQLSIYQJFCF-UNMCSNQZSA-N 2 1 371.569 3.179 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000563060542 505036744 /nfs/dbraw/zinc/03/67/44/505036744.db2.gz IJWVGVJIHHJLDC-JRGCBEDISA-N 2 1 357.542 3.442 20 0 FGADMP Cc1nnc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1C1CC1 ZINC000560278821 505038160 /nfs/dbraw/zinc/03/81/60/505038160.db2.gz GRCPVXLKEQLPRW-UHFFFAOYSA-N 2 1 365.525 3.410 20 0 FGADMP Cc1nnc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1C1CC1 ZINC000560278821 505038164 /nfs/dbraw/zinc/03/81/64/505038164.db2.gz GRCPVXLKEQLPRW-UHFFFAOYSA-N 2 1 365.525 3.410 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1)CC1CC1 ZINC000563087434 505044445 /nfs/dbraw/zinc/04/44/45/505044445.db2.gz PAVJXKUZZUGAEX-UHFFFAOYSA-N 2 1 372.557 3.189 20 0 FGADMP O=C(CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)NC1CCCCC1 ZINC000563121026 505052460 /nfs/dbraw/zinc/05/24/60/505052460.db2.gz XOUSDQSQTKOVLW-HXUWFJFHSA-N 2 1 355.526 3.222 20 0 FGADMP CCCc1csc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000566018401 505056817 /nfs/dbraw/zinc/05/68/17/505056817.db2.gz CKAVTHVTMQOSCL-UHFFFAOYSA-N 2 1 364.559 3.230 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1)C1CC1 ZINC000560394849 505069802 /nfs/dbraw/zinc/06/98/02/505069802.db2.gz QXJXYIJVPWOLQX-UHFFFAOYSA-N 2 1 352.482 3.134 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1)C1CC1 ZINC000560394849 505069808 /nfs/dbraw/zinc/06/98/08/505069808.db2.gz QXJXYIJVPWOLQX-UHFFFAOYSA-N 2 1 352.482 3.134 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550623732 505075998 /nfs/dbraw/zinc/07/59/98/505075998.db2.gz ZHJRWPOMMHICIS-LEWJYISDSA-N 2 1 351.494 3.150 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550623732 505076001 /nfs/dbraw/zinc/07/60/01/505076001.db2.gz ZHJRWPOMMHICIS-LEWJYISDSA-N 2 1 351.494 3.150 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC000550716235 505089681 /nfs/dbraw/zinc/08/96/81/505089681.db2.gz XXFVUVVZMDHJDL-PKOBYXMFSA-N 2 1 362.477 3.365 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000550830900 505111201 /nfs/dbraw/zinc/11/12/01/505111201.db2.gz LRANWQWCCWORNA-BDKRGJGYSA-N 2 1 371.569 3.429 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(F)(F)F ZINC000566216128 505113974 /nfs/dbraw/zinc/11/39/74/505113974.db2.gz OYNDECPJCKUCEI-ULQDDVLXSA-N 2 1 356.432 3.475 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(F)(F)F ZINC000566216128 505113977 /nfs/dbraw/zinc/11/39/77/505113977.db2.gz OYNDECPJCKUCEI-ULQDDVLXSA-N 2 1 356.432 3.475 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000554217588 505118654 /nfs/dbraw/zinc/11/86/54/505118654.db2.gz DVZIYEQSZRUZKY-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000566230595 505119126 /nfs/dbraw/zinc/11/91/26/505119126.db2.gz INAUHNALLQIITH-ANZJIFDASA-N 2 1 369.553 3.077 20 0 FGADMP CC(C)[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000550892130 505121542 /nfs/dbraw/zinc/12/15/42/505121542.db2.gz PBGNISTYJVCOFB-XPPIMPSXSA-N 2 1 373.585 3.376 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H]2CCC[C@H]21 ZINC000560550036 505122444 /nfs/dbraw/zinc/12/24/44/505122444.db2.gz TURMXKKRSDDBFH-OWCLPIDISA-N 2 1 357.420 3.332 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000563375608 505125353 /nfs/dbraw/zinc/12/53/53/505125353.db2.gz DRJWEKUXZDOGFR-UZLBHIALSA-N 2 1 373.541 3.216 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000563397939 505131844 /nfs/dbraw/zinc/13/18/44/505131844.db2.gz NHXKBRPHSNUVPV-KDOFPFPSSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@H+](C)[C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397939 505131850 /nfs/dbraw/zinc/13/18/50/505131850.db2.gz NHXKBRPHSNUVPV-KDOFPFPSSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397939 505131855 /nfs/dbraw/zinc/13/18/55/505131855.db2.gz NHXKBRPHSNUVPV-KDOFPFPSSA-N 2 1 362.905 3.441 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000566299186 505138247 /nfs/dbraw/zinc/13/82/47/505138247.db2.gz UHKBVUFLEAHURC-KVPLUYHFSA-N 2 1 359.558 3.283 20 0 FGADMP O=C(NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1)C1CC[NH+](C2CC2)CC1 ZINC000557458954 505140690 /nfs/dbraw/zinc/14/06/90/505140690.db2.gz FNSUNBUXGCKXDW-HXUWFJFHSA-N 2 1 367.493 3.101 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)C[C@H]1c1ccccc1 ZINC000551085639 505153689 /nfs/dbraw/zinc/15/36/89/505153689.db2.gz DKUGRLOVAWMOFP-MSOLQXFVSA-N 2 1 357.523 3.293 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)C[C@H]1c1ccccc1 ZINC000551085639 505153693 /nfs/dbraw/zinc/15/36/93/505153693.db2.gz DKUGRLOVAWMOFP-MSOLQXFVSA-N 2 1 357.523 3.293 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000551087643 505155094 /nfs/dbraw/zinc/15/50/94/505155094.db2.gz VNXVQLPEMFGLPP-AFXVXQJMSA-N 2 1 371.569 3.179 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000551201576 505176912 /nfs/dbraw/zinc/17/69/12/505176912.db2.gz VYMBOHULTWBKRS-PWRODBHTSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000551201576 505176915 /nfs/dbraw/zinc/17/69/15/505176915.db2.gz VYMBOHULTWBKRS-PWRODBHTSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000560754412 505178675 /nfs/dbraw/zinc/17/86/75/505178675.db2.gz ADUZTHNSGVCHPI-GOSISDBHSA-N 2 1 372.557 3.200 20 0 FGADMP CCc1nc(NCC2CC[NH+](Cc3ccc(OC)cc3)CC2)cc(C)[nH+]1 ZINC000561158922 505267338 /nfs/dbraw/zinc/26/73/38/505267338.db2.gz JPQCNXVKXCVRNJ-UHFFFAOYSA-N 2 1 354.498 3.102 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841658 505277982 /nfs/dbraw/zinc/27/79/82/505277982.db2.gz LVWFMRXFOCZKCV-OAQYLSRUSA-N 2 1 365.521 3.437 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841658 505277984 /nfs/dbraw/zinc/27/79/84/505277984.db2.gz LVWFMRXFOCZKCV-OAQYLSRUSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000558022272 505288089 /nfs/dbraw/zinc/28/80/89/505288089.db2.gz FEHMUCFASXRIJL-MISYRCLQSA-N 2 1 362.562 3.052 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000558022273 505288361 /nfs/dbraw/zinc/28/83/61/505288361.db2.gz FEHMUCFASXRIJL-RLLQIKCJSA-N 2 1 362.562 3.052 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@]2(c3ccccc3)CCCCC2=O)CC1 ZINC000551735470 505295349 /nfs/dbraw/zinc/29/53/49/505295349.db2.gz XTYXQAHHLLDMHY-QHCPKHFHSA-N 2 1 371.569 3.373 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000561282878 505303865 /nfs/dbraw/zinc/30/38/65/505303865.db2.gz RPFHVGCJOFZRNL-UHFFFAOYSA-N 2 1 363.505 3.239 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000561283653 505304342 /nfs/dbraw/zinc/30/43/42/505304342.db2.gz UBJKSEWPROGBFZ-SNPRPXQTSA-N 2 1 362.499 3.077 20 0 FGADMP CO[C@@H](C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000555015014 505328925 /nfs/dbraw/zinc/32/89/25/505328925.db2.gz CJJSFPNUVZERLM-QHCPKHFHSA-N 2 1 367.537 3.124 20 0 FGADMP COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551978323 505359881 /nfs/dbraw/zinc/35/98/81/505359881.db2.gz MSKQDBQOQAYVER-QGZVFWFLSA-N 2 1 362.514 3.179 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1conc1Cc1ccccc1 ZINC000552042624 505378960 /nfs/dbraw/zinc/37/89/60/505378960.db2.gz QUJCCAJZSATXST-NRFANRHFSA-N 2 1 370.541 3.113 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCCC1 ZINC000567324708 505428222 /nfs/dbraw/zinc/42/82/22/505428222.db2.gz ZXRGIDFUYYNLAN-ZCNNSNEGSA-N 2 1 355.526 3.065 20 0 FGADMP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250238 505440434 /nfs/dbraw/zinc/44/04/34/505440434.db2.gz YZAWRCODWPZIJX-BHIFYINESA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250238 505440436 /nfs/dbraw/zinc/44/04/36/505440436.db2.gz YZAWRCODWPZIJX-BHIFYINESA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250238 505440439 /nfs/dbraw/zinc/44/04/39/505440439.db2.gz YZAWRCODWPZIJX-BHIFYINESA-N 3 1 352.526 3.472 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284325 505450278 /nfs/dbraw/zinc/45/02/78/505450278.db2.gz WOJITBJWLKKGRR-KZNAEPCWSA-N 2 1 359.905 3.192 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000555598435 505468941 /nfs/dbraw/zinc/46/89/41/505468941.db2.gz UARKHYRBWWTCJB-SPEDKVCISA-N 2 1 357.542 3.232 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000561947911 505475313 /nfs/dbraw/zinc/47/53/13/505475313.db2.gz JEDMPOKGIRICAA-YCZSINBZSA-N 2 1 369.553 3.455 20 0 FGADMP CCc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000558753967 505483623 /nfs/dbraw/zinc/48/36/23/505483623.db2.gz PAMMZURZZJESND-RBUKOAKNSA-N 2 1 364.493 3.138 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc2ccccc2c1 ZINC000567699728 505541362 /nfs/dbraw/zinc/54/13/62/505541362.db2.gz ZPASFWXIUWODDQ-XVAXZDLZSA-N 2 1 354.494 3.186 20 0 FGADMP CN(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213568 505541612 /nfs/dbraw/zinc/54/16/12/505541612.db2.gz HOVOIRVPUSGLLP-ROUUACIJSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213568 505541615 /nfs/dbraw/zinc/54/16/15/505541615.db2.gz HOVOIRVPUSGLLP-ROUUACIJSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213568 505541618 /nfs/dbraw/zinc/54/16/18/505541618.db2.gz HOVOIRVPUSGLLP-ROUUACIJSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213568 505541621 /nfs/dbraw/zinc/54/16/21/505541621.db2.gz HOVOIRVPUSGLLP-ROUUACIJSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000562213567 505541627 /nfs/dbraw/zinc/54/16/27/505541627.db2.gz HOVOIRVPUSGLLP-QZTJIDSGSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000562213567 505541628 /nfs/dbraw/zinc/54/16/28/505541628.db2.gz HOVOIRVPUSGLLP-QZTJIDSGSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000562213567 505541630 /nfs/dbraw/zinc/54/16/30/505541630.db2.gz HOVOIRVPUSGLLP-QZTJIDSGSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)s1 ZINC000562213567 505541632 /nfs/dbraw/zinc/54/16/32/505541632.db2.gz HOVOIRVPUSGLLP-QZTJIDSGSA-N 2 1 356.539 3.163 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC000567734359 505552355 /nfs/dbraw/zinc/55/23/55/505552355.db2.gz FBLVDHNJMHLQNR-PMACEKPBSA-N 2 1 352.478 3.316 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC000567734359 505552358 /nfs/dbraw/zinc/55/23/58/505552358.db2.gz FBLVDHNJMHLQNR-PMACEKPBSA-N 2 1 352.478 3.316 20 0 FGADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000564956795 505562877 /nfs/dbraw/zinc/56/28/77/505562877.db2.gz SZPJVCUIAAHQNY-GOSISDBHSA-N 2 1 370.522 3.213 20 0 FGADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000564956795 505562878 /nfs/dbraw/zinc/56/28/78/505562878.db2.gz SZPJVCUIAAHQNY-GOSISDBHSA-N 2 1 370.522 3.213 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3Cc4ccccc43)CC2)CC1 ZINC000582743438 506394624 /nfs/dbraw/zinc/39/46/24/506394624.db2.gz GNVIQIACNFZQRS-NRFANRHFSA-N 2 1 355.570 3.454 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1Cc2ccccc21 ZINC000582743438 506394628 /nfs/dbraw/zinc/39/46/28/506394628.db2.gz GNVIQIACNFZQRS-NRFANRHFSA-N 3 1 355.570 3.454 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1Cc2ccccc21 ZINC000582743438 506394634 /nfs/dbraw/zinc/39/46/34/506394634.db2.gz GNVIQIACNFZQRS-NRFANRHFSA-N 3 1 355.570 3.454 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1 ZINC000599292605 506398586 /nfs/dbraw/zinc/39/85/86/506398586.db2.gz PDPIKHNKHCAZRD-OALUTQOASA-N 2 1 359.901 3.362 20 0 FGADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000589077104 506430437 /nfs/dbraw/zinc/43/04/37/506430437.db2.gz OZHLTRSXNDZANO-SFHVURJKSA-N 2 1 361.449 3.118 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cn1C ZINC000589168604 506467912 /nfs/dbraw/zinc/46/79/12/506467912.db2.gz GAXRFSXODPYZET-KRWDZBQOSA-N 2 1 369.509 3.333 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000589213233 506486456 /nfs/dbraw/zinc/48/64/56/506486456.db2.gz QHJRFBDJKPOTND-QUCCMNQESA-N 2 1 372.557 3.338 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000603517313 506539598 /nfs/dbraw/zinc/53/95/98/506539598.db2.gz OLYGXXOAYYBKTI-INIZCTEOSA-N 2 1 370.440 3.030 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608414575 506549898 /nfs/dbraw/zinc/54/98/98/506549898.db2.gz LKKJNKADIZTAAX-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccsc1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000583029675 506550660 /nfs/dbraw/zinc/55/06/60/506550660.db2.gz AIBLGRDSKAHHAB-IAGOWNOFSA-N 2 1 352.544 3.147 20 0 FGADMP Fc1ccc(CN2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000583147553 506616693 /nfs/dbraw/zinc/61/66/93/506616693.db2.gz NXYNAZUKXZHSCF-UHFFFAOYSA-N 2 1 353.485 3.179 20 0 FGADMP Fc1ccc(C[N@@H+]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000583147553 506616696 /nfs/dbraw/zinc/61/66/96/506616696.db2.gz NXYNAZUKXZHSCF-UHFFFAOYSA-N 2 1 353.485 3.179 20 0 FGADMP Fc1ccc(C[N@H+]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000583147553 506616699 /nfs/dbraw/zinc/61/66/99/506616699.db2.gz NXYNAZUKXZHSCF-UHFFFAOYSA-N 2 1 353.485 3.179 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634594 506641409 /nfs/dbraw/zinc/64/14/09/506641409.db2.gz QENDFSIMLWAROU-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634594 506641413 /nfs/dbraw/zinc/64/14/13/506641413.db2.gz QENDFSIMLWAROU-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000583197692 506645075 /nfs/dbraw/zinc/64/50/75/506645075.db2.gz COBRWHNJIZWGIX-FYKMYLNBSA-N 2 1 369.553 3.311 20 0 FGADMP C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693366 506669093 /nfs/dbraw/zinc/66/90/93/506669093.db2.gz PWDDOPOZTXNQEA-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000583255266 506680188 /nfs/dbraw/zinc/68/01/88/506680188.db2.gz TZQOQGVKRIDONK-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604176085 506738062 /nfs/dbraw/zinc/73/80/62/506738062.db2.gz VMVXWQKIZSPRNN-PWRODBHTSA-N 2 1 370.541 3.140 20 0 FGADMP COC(=O)c1oc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cc1C ZINC000597121376 506787569 /nfs/dbraw/zinc/78/75/69/506787569.db2.gz OOWGAFZMTJSAKS-UHFFFAOYSA-N 2 1 372.465 3.137 20 0 FGADMP CCOC(=O)c1ccn(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)c2)n1 ZINC000600166268 506818262 /nfs/dbraw/zinc/81/82/62/506818262.db2.gz LAJOCQQZFRQRHU-KRWDZBQOSA-N 2 1 370.497 3.011 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128597 506930748 /nfs/dbraw/zinc/93/07/48/506930748.db2.gz HNLXALGLGTXDAE-SIKLNZKXSA-N 2 1 371.569 3.130 20 0 FGADMP CCOc1cccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000613256930 506997240 /nfs/dbraw/zinc/99/72/40/506997240.db2.gz YVZAHGJLVMXTJE-LJQANCHMSA-N 2 1 359.539 3.225 20 0 FGADMP CC(C)c1[nH+]c(CNC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c2ccccn21 ZINC000583876190 507025218 /nfs/dbraw/zinc/02/52/18/507025218.db2.gz JENKHTVVXNUORN-LEWJYISDSA-N 2 1 370.541 3.315 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000594231160 507027553 /nfs/dbraw/zinc/02/75/53/507027553.db2.gz BCFPAWPBURBHSO-CALCHBBNSA-N 2 1 362.518 3.011 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097763 507113176 /nfs/dbraw/zinc/11/31/76/507113176.db2.gz FIAFBIYZLJEKHK-VQTJNVASSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](C[NH+]1CC[C@@H](c2cccnc2)C1)C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000584051174 507124442 /nfs/dbraw/zinc/12/44/42/507124442.db2.gz LFQDRPQAQIEIOR-RGPKIKJVSA-N 2 1 350.510 3.392 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](c2cccnc2)C1)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584051174 507124454 /nfs/dbraw/zinc/12/44/54/507124454.db2.gz LFQDRPQAQIEIOR-RGPKIKJVSA-N 2 1 350.510 3.392 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](c2cccnc2)C1)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584051174 507124465 /nfs/dbraw/zinc/12/44/65/507124465.db2.gz LFQDRPQAQIEIOR-RGPKIKJVSA-N 2 1 350.510 3.392 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000597867253 507142130 /nfs/dbraw/zinc/14/21/30/507142130.db2.gz ICCDVDIDVAOGRK-SFHVURJKSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000597867253 507142135 /nfs/dbraw/zinc/14/21/35/507142135.db2.gz ICCDVDIDVAOGRK-SFHVURJKSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000597867253 507142138 /nfs/dbraw/zinc/14/21/38/507142138.db2.gz ICCDVDIDVAOGRK-SFHVURJKSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000597867253 507142148 /nfs/dbraw/zinc/14/21/48/507142148.db2.gz ICCDVDIDVAOGRK-SFHVURJKSA-N 2 1 351.922 3.151 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000584089477 507145740 /nfs/dbraw/zinc/14/57/40/507145740.db2.gz PUHDTEVGBJMLAA-ZDUSSCGKSA-N 2 1 360.365 3.189 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000584163195 507189157 /nfs/dbraw/zinc/18/91/57/507189157.db2.gz JQYLPOIXYJXZGZ-UXHICEINSA-N 2 1 374.916 3.244 20 0 FGADMP CSC1(CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[NH+](C)CC1 ZINC000594580118 507194559 /nfs/dbraw/zinc/19/45/59/507194559.db2.gz XLDMMZGUZPIXMU-UHFFFAOYSA-N 2 1 363.575 3.342 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591430853 507247991 /nfs/dbraw/zinc/24/79/91/507247991.db2.gz VRZGAMGCFWQSFV-OALUTQOASA-N 2 1 373.541 3.154 20 0 FGADMP C[C@H](c1cccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1)N1CCOCC1 ZINC000591463177 507260640 /nfs/dbraw/zinc/26/06/40/507260640.db2.gz ASJUCURFCDZIPR-XDNAFOTISA-N 2 1 359.514 3.280 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000584324154 507280250 /nfs/dbraw/zinc/28/02/50/507280250.db2.gz BUUPCAAYHYKWBV-SFHVURJKSA-N 2 1 354.583 3.259 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1Cl ZINC000591546024 507284410 /nfs/dbraw/zinc/28/44/10/507284410.db2.gz UBJKPACODNVBQR-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1Cl ZINC000591546024 507284419 /nfs/dbraw/zinc/28/44/19/507284419.db2.gz UBJKPACODNVBQR-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591573623 507297897 /nfs/dbraw/zinc/29/78/97/507297897.db2.gz GCUCLVIFIAPHMY-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000606627717 507458361 /nfs/dbraw/zinc/45/83/61/507458361.db2.gz XWQVGDCELJTVHW-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@@H]21 ZINC000584720326 507470975 /nfs/dbraw/zinc/47/09/75/507470975.db2.gz GBDPWMDOBGAFSX-PCCBWWKXSA-N 2 1 363.505 3.275 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@@H]21 ZINC000584720326 507470982 /nfs/dbraw/zinc/47/09/82/507470982.db2.gz GBDPWMDOBGAFSX-PCCBWWKXSA-N 2 1 363.505 3.275 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690475 507483289 /nfs/dbraw/zinc/48/32/89/507483289.db2.gz AGGKCXBKGCXQRN-RTWAWAEBSA-N 2 1 372.557 3.195 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1C ZINC000602013180 507554194 /nfs/dbraw/zinc/55/41/94/507554194.db2.gz WTONCMHRIAXZAP-KDOFPFPSSA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1C ZINC000602013180 507554202 /nfs/dbraw/zinc/55/42/02/507554202.db2.gz WTONCMHRIAXZAP-KDOFPFPSSA-N 2 1 361.511 3.046 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000592377051 507626622 /nfs/dbraw/zinc/62/66/22/507626622.db2.gz RKMASBFOVXWGDQ-OALUTQOASA-N 2 1 373.541 3.106 20 0 FGADMP c1cn([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@@H](n4ccnc4)C3)C2)cn1 ZINC000607151846 507634359 /nfs/dbraw/zinc/63/43/59/507634359.db2.gz SKPIHTRXLWDWSO-NHCUHLMSSA-N 2 1 370.545 3.224 20 0 FGADMP COC(=O)c1cnc([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)s1 ZINC000595915935 507741862 /nfs/dbraw/zinc/74/18/62/507741862.db2.gz CTYDEKQVQODFJJ-OAHLLOKOSA-N 2 1 362.499 3.094 20 0 FGADMP COC(=O)c1cnc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)s1 ZINC000595915935 507741873 /nfs/dbraw/zinc/74/18/73/507741873.db2.gz CTYDEKQVQODFJJ-OAHLLOKOSA-N 2 1 362.499 3.094 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662394 516710052 /nfs/dbraw/zinc/71/00/52/516710052.db2.gz VDCFAZCNGKFTBE-HBMCJLEFSA-N 2 1 365.525 3.169 20 0 FGADMP FC(F)(F)c1csc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000532732930 517118332 /nfs/dbraw/zinc/11/83/32/517118332.db2.gz RHBALGWCKBZAOE-UHFFFAOYSA-N 2 1 371.432 3.181 20 0 FGADMP Cc1cnc(NC[C@H]2CC[N@H+](C(C)C)C2)nc1NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000532045710 562465026 /nfs/dbraw/zinc/46/50/26/562465026.db2.gz OLMWZFZRGHEGMB-RBUKOAKNSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@H]2CC[NH+](C(C)C)C2)nc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000532045710 562465027 /nfs/dbraw/zinc/46/50/27/562465027.db2.gz OLMWZFZRGHEGMB-RBUKOAKNSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@H]2CC[NH+](C(C)C)C2)nc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000532045710 562465028 /nfs/dbraw/zinc/46/50/28/562465028.db2.gz OLMWZFZRGHEGMB-RBUKOAKNSA-N 2 1 374.577 3.069 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[C@@H]1[NH3+] ZINC000669117729 568032070 /nfs/dbraw/zinc/03/20/70/568032070.db2.gz AEYIMSTZVIGQTE-WMQCIHAUSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000669125177 568086104 /nfs/dbraw/zinc/08/61/04/568086104.db2.gz XPKPPNZNZSNVFE-DBXWQHBBSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820112226 607473253 /nfs/dbraw/zinc/47/32/53/607473253.db2.gz NJWXEPFYVHZIGN-UHFFFAOYSA-N 2 1 368.460 3.136 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC000822477182 606657568 /nfs/dbraw/zinc/65/75/68/606657568.db2.gz JAAHIKUFRRMSNU-AWEZNQCLSA-N 2 1 359.437 3.212 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824875948 609133424 /nfs/dbraw/zinc/13/34/24/609133424.db2.gz PSIRSWQGXNQVFU-QLFBSQMISA-N 2 1 360.481 3.024 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824875948 609133425 /nfs/dbraw/zinc/13/34/25/609133425.db2.gz PSIRSWQGXNQVFU-QLFBSQMISA-N 2 1 360.481 3.024 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824877612 609133734 /nfs/dbraw/zinc/13/37/34/609133734.db2.gz ZEZIVGXMRNRQBM-XHSDSOJGSA-N 2 1 374.508 3.415 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261199 609152293 /nfs/dbraw/zinc/15/22/93/609152293.db2.gz DWOWLNDVQZOIKD-CABCVRRESA-N 2 1 360.481 3.024 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261199 609152294 /nfs/dbraw/zinc/15/22/94/609152294.db2.gz DWOWLNDVQZOIKD-CABCVRRESA-N 2 1 360.481 3.024 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917733 695755668 /nfs/dbraw/zinc/75/56/68/695755668.db2.gz HKYJDQZDRODDLD-PBHICJAKSA-N 2 1 353.304 3.292 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000101664741 700470057 /nfs/dbraw/zinc/47/00/57/700470057.db2.gz HODSUBSTHBWRQW-KRWDZBQOSA-N 2 1 360.527 3.062 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000101664741 700470061 /nfs/dbraw/zinc/47/00/61/700470061.db2.gz HODSUBSTHBWRQW-KRWDZBQOSA-N 2 1 360.527 3.062 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000123987728 700713289 /nfs/dbraw/zinc/71/32/89/700713289.db2.gz MPFUGVRVSFHQKB-IYBDPMFKSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000123987728 700713291 /nfs/dbraw/zinc/71/32/91/700713291.db2.gz MPFUGVRVSFHQKB-IYBDPMFKSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000180441902 705739859 /nfs/dbraw/zinc/73/98/59/705739859.db2.gz DRAMCEJEVKDIDK-HLLBOEOZSA-N 2 1 350.507 3.063 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000182694237 705857387 /nfs/dbraw/zinc/85/73/87/705857387.db2.gz DJKSSFGODVOSEV-ROUUACIJSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000191174003 712831570 /nfs/dbraw/zinc/83/15/70/712831570.db2.gz YUJVOCPYUQMUNF-IAGOWNOFSA-N 2 1 350.507 3.397 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248388467 713648546 /nfs/dbraw/zinc/64/85/46/713648546.db2.gz RDIPJGUFBXWZQJ-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248388467 713648549 /nfs/dbraw/zinc/64/85/49/713648549.db2.gz RDIPJGUFBXWZQJ-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@@H+]1C ZINC000302095070 713782608 /nfs/dbraw/zinc/78/26/08/713782608.db2.gz QHWNCWWECIDDBX-IXDOHACOSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@H+]1C ZINC000302095070 713782610 /nfs/dbraw/zinc/78/26/10/713782610.db2.gz QHWNCWWECIDDBX-IXDOHACOSA-N 2 1 351.535 3.381 20 0 FGADMP CO[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783612 713943582 /nfs/dbraw/zinc/94/35/82/713943582.db2.gz WUURDEDCHYYZGR-WOJBJXKFSA-N 2 1 365.949 3.128 20 0 FGADMP CO[C@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000374917224 713953339 /nfs/dbraw/zinc/95/33/39/713953339.db2.gz RDDOSCTYGRCZFJ-OXJNMPFZSA-N 2 1 365.949 3.128 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000375082194 713965515 /nfs/dbraw/zinc/96/55/15/713965515.db2.gz RMZBHACIEKEGKN-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000524371395 714280417 /nfs/dbraw/zinc/28/04/17/714280417.db2.gz FSJMUPDPYUKJNJ-GOSISDBHSA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000524371395 714280427 /nfs/dbraw/zinc/28/04/27/714280427.db2.gz FSJMUPDPYUKJNJ-GOSISDBHSA-N 2 1 366.937 3.068 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000615612417 714539112 /nfs/dbraw/zinc/53/91/12/714539112.db2.gz OPFXEJZZHTUXPL-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000621701143 715019502 /nfs/dbraw/zinc/01/95/02/715019502.db2.gz FYWMUYHWAPGPBC-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000643595528 718039376 /nfs/dbraw/zinc/03/93/76/718039376.db2.gz RKNZSVKIDAFVOH-OKZBNKHCSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000643595528 718039380 /nfs/dbraw/zinc/03/93/80/718039380.db2.gz RKNZSVKIDAFVOH-OKZBNKHCSA-N 2 1 367.896 3.247 20 0 FGADMP CC1(C)CC(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000623393310 715325646 /nfs/dbraw/zinc/32/56/46/715325646.db2.gz FLBSGJIXKRCWCN-QGZVFWFLSA-N 2 1 350.551 3.002 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507477 715350370 /nfs/dbraw/zinc/35/03/70/715350370.db2.gz MCRGLSRDUPPHBQ-RDJZCZTQSA-N 2 1 369.347 3.063 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000779473264 724415726 /nfs/dbraw/zinc/41/57/26/724415726.db2.gz AZFVWFVNXLOKOL-UHFFFAOYSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629523826 716302537 /nfs/dbraw/zinc/30/25/37/716302537.db2.gz JUHXOPXTZIQSIM-IAQYHMDHSA-N 2 1 371.344 3.330 20 0 FGADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000629524448 716303595 /nfs/dbraw/zinc/30/35/95/716303595.db2.gz MIYULPYFULDHGL-LLVKDONJSA-N 2 1 353.260 3.354 20 0 FGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)s2)cn1 ZINC000629653828 716329518 /nfs/dbraw/zinc/32/95/18/716329518.db2.gz GXHACRROBNKISG-RISCZKNCSA-N 2 1 358.433 3.108 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)s2)cn1 ZINC000629653828 716329521 /nfs/dbraw/zinc/32/95/21/716329521.db2.gz GXHACRROBNKISG-RISCZKNCSA-N 2 1 358.433 3.108 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccncc2Br)c1 ZINC000631044236 716553958 /nfs/dbraw/zinc/55/39/58/716553958.db2.gz IIHZDVTUNDPBMX-UHFFFAOYSA-N 2 1 364.287 3.074 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)[C@@H](C)C1 ZINC000631732081 716670040 /nfs/dbraw/zinc/67/00/40/716670040.db2.gz VNABYXDPGZFTEE-UFYCRDLUSA-N 2 1 352.563 3.452 20 0 FGADMP [NH3+]C1(Cc2nc(-c3ccsc3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634554412 717089914 /nfs/dbraw/zinc/08/99/14/717089914.db2.gz YUUYZUQJDMUMAB-UHFFFAOYSA-N 2 1 354.479 3.334 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914922 717209606 /nfs/dbraw/zinc/20/96/06/717209606.db2.gz QRXAYPQEOLHRKW-YJBOKZPZSA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914922 717209610 /nfs/dbraw/zinc/20/96/10/717209610.db2.gz QRXAYPQEOLHRKW-YJBOKZPZSA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914922 717209613 /nfs/dbraw/zinc/20/96/13/717209613.db2.gz QRXAYPQEOLHRKW-YJBOKZPZSA-N 2 1 351.922 3.181 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177618 717417158 /nfs/dbraw/zinc/41/71/58/717417158.db2.gz CYYLKDIIJMOWFI-KURKYZTESA-N 2 1 356.432 3.475 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177618 717417164 /nfs/dbraw/zinc/41/71/64/717417164.db2.gz CYYLKDIIJMOWFI-KURKYZTESA-N 2 1 356.432 3.475 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](OC)C2CCOCC2)CC1)CC1CC1 ZINC000638274195 717429869 /nfs/dbraw/zinc/42/98/69/717429869.db2.gz GRSNNOUNJXVLSD-OAQYLSRUSA-N 2 1 352.563 3.262 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638359470 717439144 /nfs/dbraw/zinc/43/91/44/717439144.db2.gz AGQUFNRCFRSJHK-UHFFFAOYSA-N 2 1 359.345 3.083 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(OC)ns3)CC2)cs1 ZINC000638623320 717470965 /nfs/dbraw/zinc/47/09/65/717470965.db2.gz MHDYNOKWLGGWPQ-UHFFFAOYSA-N 2 1 366.556 3.172 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1C(F)(F)F ZINC000640045975 717653069 /nfs/dbraw/zinc/65/30/69/717653069.db2.gz PPBQOLYUYDQQRQ-ZWKOTPCHSA-N 2 1 356.432 3.275 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292556 718275888 /nfs/dbraw/zinc/27/58/88/718275888.db2.gz MJMOGHUJAOCNEA-RDJZCZTQSA-N 2 1 353.869 3.002 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292556 718275889 /nfs/dbraw/zinc/27/58/89/718275889.db2.gz MJMOGHUJAOCNEA-RDJZCZTQSA-N 2 1 353.869 3.002 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646294985 718276032 /nfs/dbraw/zinc/27/60/32/718276032.db2.gz GLMYOLBPHDCWJT-ZUXXIDCJSA-N 2 1 367.896 3.117 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646294985 718276035 /nfs/dbraw/zinc/27/60/35/718276035.db2.gz GLMYOLBPHDCWJT-ZUXXIDCJSA-N 2 1 367.896 3.117 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901194 718385108 /nfs/dbraw/zinc/38/51/08/718385108.db2.gz KQFAPMRUPNOASB-ZBFHGGJFSA-N 2 1 365.905 3.141 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975971 718391064 /nfs/dbraw/zinc/39/10/64/718391064.db2.gz IHRCCDNWSIBMBO-GVDBMIGSSA-N 2 1 361.555 3.447 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975697 718391103 /nfs/dbraw/zinc/39/11/03/718391103.db2.gz DTGHEKICNJICFB-ILXRZTDVSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975697 718391106 /nfs/dbraw/zinc/39/11/06/718391106.db2.gz DTGHEKICNJICFB-ILXRZTDVSA-N 2 1 351.441 3.003 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975973 718391318 /nfs/dbraw/zinc/39/13/18/718391318.db2.gz IHRCCDNWSIBMBO-YESZJQIVSA-N 2 1 361.555 3.447 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978026 718391739 /nfs/dbraw/zinc/39/17/39/718391739.db2.gz LKOBNKKKGVHGOP-FRQCXROJSA-N 2 1 361.917 3.157 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648161495 718402128 /nfs/dbraw/zinc/40/21/28/718402128.db2.gz CPAKHHZFZBHXEY-SUMWQHHRSA-N 2 1 355.885 3.106 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705268 718716431 /nfs/dbraw/zinc/71/64/31/718716431.db2.gz ASOBALZSUJJYDI-LNSITVRQSA-N 2 1 359.333 3.229 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706487 718716729 /nfs/dbraw/zinc/71/67/29/718716729.db2.gz LVQACFBLPCTRSF-YESZJQIVSA-N 2 1 350.528 3.135 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722188 718720135 /nfs/dbraw/zinc/72/01/35/718720135.db2.gz MWQOYDBJUKNPNA-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722188 718720137 /nfs/dbraw/zinc/72/01/37/718720137.db2.gz MWQOYDBJUKNPNA-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[NH2+]CC[C@@H]32)n1 ZINC001164410640 718876014 /nfs/dbraw/zinc/87/60/14/718876014.db2.gz FNHKGUNDXXYNEC-GJZGRUSLSA-N 2 1 359.543 3.091 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362936 718936920 /nfs/dbraw/zinc/93/69/20/718936920.db2.gz SYQWOANSLMKLEB-ZACQAIPSSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362936 718936922 /nfs/dbraw/zinc/93/69/22/718936922.db2.gz SYQWOANSLMKLEB-ZACQAIPSSA-N 2 1 371.294 3.449 20 0 FGADMP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@@H]3[NH2+]Cc4ccccc4[C@H]3C2)n1 ZINC001164424305 718943445 /nfs/dbraw/zinc/94/34/45/718943445.db2.gz NWBAFANBOQMBAD-MOPGFXCFSA-N 2 1 368.912 3.406 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154455 719018613 /nfs/dbraw/zinc/01/86/13/719018613.db2.gz RZPSXRZHDUPRCP-SAYTVZCPSA-N 2 1 367.896 3.106 20 0 FGADMP C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H](C)C[N@@H+]1C ZINC001164638416 719257415 /nfs/dbraw/zinc/25/74/15/719257415.db2.gz YOXAKASSDXYQFA-OLZOCXBDSA-N 2 1 370.875 3.185 20 0 FGADMP C[C@@H]1CN(C(F)(F)c2cnc(Cl)c(C3=CC[NH2+]CC3)c2)[C@@H](C)C[N@H+]1C ZINC001164638416 719257417 /nfs/dbraw/zinc/25/74/17/719257417.db2.gz YOXAKASSDXYQFA-OLZOCXBDSA-N 2 1 370.875 3.185 20 0 FGADMP Fc1ccc(OCCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655688054 719325913 /nfs/dbraw/zinc/32/59/13/719325913.db2.gz HTCIPTVVIPGQSA-HXUWFJFHSA-N 2 1 350.478 3.218 20 0 FGADMP Brc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655700551 719326996 /nfs/dbraw/zinc/32/69/96/719326996.db2.gz MMTQEZWAXXPQPS-CQSZACIVSA-N 2 1 373.360 3.286 20 0 FGADMP Cc1cc(Cl)ccc1OCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655707441 719328237 /nfs/dbraw/zinc/32/82/37/719328237.db2.gz RZZWTQHGTMZWIE-SFHVURJKSA-N 2 1 352.906 3.260 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1cccc(Cl)c1 ZINC000655728714 719330444 /nfs/dbraw/zinc/33/04/44/719330444.db2.gz AIINYMXLRGNRAU-HNAYVOBHSA-N 2 1 352.906 3.340 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1Cl ZINC000655729506 719330519 /nfs/dbraw/zinc/33/05/19/719330519.db2.gz BGJDKGGGUXMXLN-DOTOQJQBSA-N 2 1 352.906 3.340 20 0 FGADMP c1ccc2c(c1)O[C@H](CC[NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CS2 ZINC000655779188 719339016 /nfs/dbraw/zinc/33/90/16/719339016.db2.gz FMZHJSFRBVCJDT-QZTJIDSGSA-N 2 1 362.539 3.163 20 0 FGADMP Cn1ncc(Cl)c1CNC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773895 719710114 /nfs/dbraw/zinc/71/01/14/719710114.db2.gz VSAQLMDXJRJSPH-KRWDZBQOSA-N 2 1 358.917 3.465 20 0 FGADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000659622766 719929951 /nfs/dbraw/zinc/92/99/51/719929951.db2.gz VFJOKSZOBNSJRV-IEBWSBKVSA-N 2 1 352.567 3.046 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338743 720032972 /nfs/dbraw/zinc/03/29/72/720032972.db2.gz LWZJAZDUXPHLBE-SJORKVTESA-N 2 1 366.575 3.303 20 0 FGADMP CC[C@@H](C)[N@@H+](CC)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000661104220 720188634 /nfs/dbraw/zinc/18/86/34/720188634.db2.gz JVGGDQRLYROOTO-OAHLLOKOSA-N 2 1 352.548 3.434 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)C1 ZINC000662281204 720409353 /nfs/dbraw/zinc/40/93/53/720409353.db2.gz JXEMILPSURUBJX-GOEBONIOSA-N 2 1 358.404 3.145 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282539 720409421 /nfs/dbraw/zinc/40/94/21/720409421.db2.gz BRTMECBXWNXUPK-BFYDXBDKSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282539 720409423 /nfs/dbraw/zinc/40/94/23/720409423.db2.gz BRTMECBXWNXUPK-BFYDXBDKSA-N 2 1 358.404 3.288 20 0 FGADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296751 720411453 /nfs/dbraw/zinc/41/14/53/720411453.db2.gz MZAGOSIEMHYJTM-WBVHZDCISA-N 2 1 361.555 3.447 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296471 720411549 /nfs/dbraw/zinc/41/15/49/720411549.db2.gz KYBZGSMCXYKUOV-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662433126 720428104 /nfs/dbraw/zinc/42/81/04/720428104.db2.gz WJUJEHBFGMDNOZ-QGZVFWFLSA-N 2 1 372.340 3.492 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662442964 720429020 /nfs/dbraw/zinc/42/90/20/720429020.db2.gz WZUGOOYUQZNLMW-INIZCTEOSA-N 2 1 370.335 3.077 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000662525637 720438327 /nfs/dbraw/zinc/43/83/27/720438327.db2.gz XBEVBPUFKWJXCD-SFHVURJKSA-N 2 1 365.949 3.385 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000662525637 720438333 /nfs/dbraw/zinc/43/83/33/720438333.db2.gz XBEVBPUFKWJXCD-SFHVURJKSA-N 2 1 365.949 3.385 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)c1ccsc1 ZINC000662679142 720451916 /nfs/dbraw/zinc/45/19/16/720451916.db2.gz MDVBPKVVQBUODA-IRXDYDNUSA-N 2 1 367.465 3.225 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000662824496 720461772 /nfs/dbraw/zinc/46/17/72/720461772.db2.gz WCKHFCHRRBZBCN-IAQYHMDHSA-N 2 1 356.297 3.045 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000663452498 720516624 /nfs/dbraw/zinc/51/66/24/720516624.db2.gz ZKICJIRBHGCYOU-HZPDHXFCSA-N 2 1 364.559 3.057 20 0 FGADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164787643 721448046 /nfs/dbraw/zinc/44/80/46/721448046.db2.gz OYRYJMXAVLUNKX-HXUWFJFHSA-N 2 1 373.541 3.124 20 0 FGADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164787643 721448048 /nfs/dbraw/zinc/44/80/48/721448048.db2.gz OYRYJMXAVLUNKX-HXUWFJFHSA-N 2 1 373.541 3.124 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053239 721620033 /nfs/dbraw/zinc/62/00/33/721620033.db2.gz YICHWCPHQRBGAI-QZTJIDSGSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000672053239 721620034 /nfs/dbraw/zinc/62/00/34/721620034.db2.gz YICHWCPHQRBGAI-QZTJIDSGSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000672053239 721620035 /nfs/dbraw/zinc/62/00/35/721620035.db2.gz YICHWCPHQRBGAI-QZTJIDSGSA-N 2 1 351.922 3.323 20 0 FGADMP CN(C)c1cccc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165022096 721802752 /nfs/dbraw/zinc/80/27/52/721802752.db2.gz HVJMVHOHKZHALM-IHPCNDPISA-N 2 1 365.525 3.280 20 0 FGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801609 721916506 /nfs/dbraw/zinc/91/65/06/721916506.db2.gz XKBSDTHIRSXOIO-SFHVURJKSA-N 2 1 355.448 3.306 20 0 FGADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000682166417 722239932 /nfs/dbraw/zinc/23/99/32/722239932.db2.gz GXVQSXVEENCIEX-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC(F)F ZINC000685463066 722386145 /nfs/dbraw/zinc/38/61/45/722386145.db2.gz BFDHIKWCLGFPNS-INIZCTEOSA-N 2 1 354.441 3.460 20 0 FGADMP O=S(=O)(CC[NH+](C1CC1)C1CCCC1)CC[N@@H+](C1CC1)C1CCCC1 ZINC000728912195 722455428 /nfs/dbraw/zinc/45/54/28/722455428.db2.gz PWRGQJRXAXMIGN-UHFFFAOYSA-N 2 1 368.587 3.215 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000732448583 722484917 /nfs/dbraw/zinc/48/49/17/722484917.db2.gz GUHMTNYLRSQEHF-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](Cn2c3ccc(Cl)cc3oc2=O)CC1 ZINC000738089625 722528545 /nfs/dbraw/zinc/52/85/45/722528545.db2.gz MYKIQMVNWIYFJD-UHFFFAOYSA-N 2 1 351.878 3.258 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2c3ccc(Cl)cc3oc2=O)CC1 ZINC000738089625 722528546 /nfs/dbraw/zinc/52/85/46/722528546.db2.gz MYKIQMVNWIYFJD-UHFFFAOYSA-N 2 1 351.878 3.258 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955208 722669399 /nfs/dbraw/zinc/66/93/99/722669399.db2.gz ORYGAQZVEOAEJW-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCc1ccccc1NC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000751011840 722790564 /nfs/dbraw/zinc/79/05/64/722790564.db2.gz PGLLPCYBWXZWKX-SFHVURJKSA-N 2 1 362.587 3.294 20 0 FGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107191 722974618 /nfs/dbraw/zinc/97/46/18/722974618.db2.gz TZJKSYZRQHIOSH-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107191 722974619 /nfs/dbraw/zinc/97/46/19/722974619.db2.gz TZJKSYZRQHIOSH-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107191 722974620 /nfs/dbraw/zinc/97/46/20/722974620.db2.gz TZJKSYZRQHIOSH-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664465 723077657 /nfs/dbraw/zinc/07/76/57/723077657.db2.gz SLMZLBHCVXTOHE-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664465 723077661 /nfs/dbraw/zinc/07/76/61/723077661.db2.gz SLMZLBHCVXTOHE-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760674150 723080275 /nfs/dbraw/zinc/08/02/75/723080275.db2.gz FBVRGEYDVFXQGG-GOSISDBHSA-N 2 1 353.551 3.488 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760674150 723080276 /nfs/dbraw/zinc/08/02/76/723080276.db2.gz FBVRGEYDVFXQGG-GOSISDBHSA-N 2 1 353.551 3.488 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2cccs2)[C@H](C)C1 ZINC000763412000 723341300 /nfs/dbraw/zinc/34/13/00/723341300.db2.gz CMZMTCQOMDMVAM-BDXSIMOUSA-N 2 1 354.560 3.287 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000763432428 723342934 /nfs/dbraw/zinc/34/29/34/723342934.db2.gz KLNRICYAOHOJPK-QGZVFWFLSA-N 2 1 353.551 3.488 20 0 FGADMP O[C@H](C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000792927204 723383412 /nfs/dbraw/zinc/38/34/12/723383412.db2.gz PKIJXSPQAVDNDF-FQEVSTJZSA-N 2 1 356.535 3.174 20 0 FGADMP O[C@H](C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000792927204 723383416 /nfs/dbraw/zinc/38/34/16/723383416.db2.gz PKIJXSPQAVDNDF-FQEVSTJZSA-N 2 1 356.535 3.174 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCCC1 ZINC000765240627 723497798 /nfs/dbraw/zinc/49/77/98/723497798.db2.gz VDWHGGHOBMRCHU-CABCVRRESA-N 2 1 374.497 3.456 20 0 FGADMP C[NH+](C)CCOc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1Cl ZINC000796331313 723633189 /nfs/dbraw/zinc/63/31/89/723633189.db2.gz GUYKJXPEMBPRMC-UHFFFAOYSA-N 2 1 368.934 3.411 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@@H]1C ZINC000796649171 723648617 /nfs/dbraw/zinc/64/86/17/723648617.db2.gz GYYGXUNABQCIOK-BFYDXBDKSA-N 2 1 350.507 3.205 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@H]21 ZINC000796748411 723653217 /nfs/dbraw/zinc/65/32/17/723653217.db2.gz LCWZVORPUABLAU-FGTMMUONSA-N 2 1 351.535 3.238 20 0 FGADMP COc1c(C)cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000796982310 723662323 /nfs/dbraw/zinc/66/23/23/723662323.db2.gz IJPPPGORHCPHRR-OAHLLOKOSA-N 2 1 353.938 3.334 20 0 FGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000769860976 723698084 /nfs/dbraw/zinc/69/80/84/723698084.db2.gz ONEIXDVKNQGANQ-YOEHRIQHSA-N 2 1 362.543 3.246 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000773135267 723777434 /nfs/dbraw/zinc/77/74/34/723777434.db2.gz CEMVJKBMASJGOI-MDASCCDHSA-N 2 1 372.912 3.239 20 0 FGADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc(Cl)n1 ZINC000797594781 723839677 /nfs/dbraw/zinc/83/96/77/723839677.db2.gz URXZIQZMZGHUDM-MRXNPFEDSA-N 2 1 364.946 3.183 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798942480 723977466 /nfs/dbraw/zinc/97/74/66/723977466.db2.gz LZYDLQHTSJCYLI-HXUWFJFHSA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943776 723977573 /nfs/dbraw/zinc/97/75/73/723977573.db2.gz BDNFKYBFGFZKCI-UWVAXJGDSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943776 723977574 /nfs/dbraw/zinc/97/75/74/723977574.db2.gz BDNFKYBFGFZKCI-UWVAXJGDSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000798943776 723977575 /nfs/dbraw/zinc/97/75/75/723977575.db2.gz BDNFKYBFGFZKCI-UWVAXJGDSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000799177670 723995332 /nfs/dbraw/zinc/99/53/32/723995332.db2.gz ZIWDSSKTQGICSA-SFHVURJKSA-N 2 1 361.917 3.253 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000799177670 723995335 /nfs/dbraw/zinc/99/53/35/723995335.db2.gz ZIWDSSKTQGICSA-SFHVURJKSA-N 2 1 361.917 3.253 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000775625236 724011851 /nfs/dbraw/zinc/01/18/51/724011851.db2.gz DSNYABLAGGWSIQ-BMFZPTHFSA-N 2 1 357.445 3.174 20 0 FGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000806128842 725116773 /nfs/dbraw/zinc/11/67/73/725116773.db2.gz XZZNRQCXHLZBJG-SFHVURJKSA-N 2 1 357.885 3.344 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CCC(C[NH+]3CCCCCC3)CC2)s1 ZINC000809545879 725246379 /nfs/dbraw/zinc/24/63/79/725246379.db2.gz SMCGREYUSYUZSE-UHFFFAOYSA-N 2 1 350.576 3.293 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1Br ZINC000810130735 725291389 /nfs/dbraw/zinc/29/13/89/725291389.db2.gz RWXHRCRKNWFTIO-HNNXBMFYSA-N 2 1 355.320 3.039 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247739 725299690 /nfs/dbraw/zinc/29/96/90/725299690.db2.gz WKYCIAAFVXMNNO-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247739 725299691 /nfs/dbraw/zinc/29/96/91/725299691.db2.gz WKYCIAAFVXMNNO-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247739 725299692 /nfs/dbraw/zinc/29/96/92/725299692.db2.gz WKYCIAAFVXMNNO-WOCWXWTJSA-N 2 1 351.535 3.096 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525719 725372584 /nfs/dbraw/zinc/37/25/84/725372584.db2.gz XXCYLRUMLVROAB-DOXZYTNZSA-N 2 1 353.482 3.038 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122603 725389082 /nfs/dbraw/zinc/38/90/82/725389082.db2.gz KBOQZVXKLAPQEP-VIQWUECVSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(CC[NH3+])cc1)c1ncc(Br)cc1F ZINC000817947871 727289248 /nfs/dbraw/zinc/28/92/48/727289248.db2.gz DDLIDFZPFLJSBY-NSHDSACASA-N 2 1 352.251 3.335 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccccc1Br ZINC000819101855 727347813 /nfs/dbraw/zinc/34/78/13/727347813.db2.gz ZKYXDBZDFFKFFQ-INIZCTEOSA-N 2 1 352.276 3.057 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819151962 727352880 /nfs/dbraw/zinc/35/28/80/727352880.db2.gz IXFFHESQJFSWBZ-WMLDXEAASA-N 2 1 355.320 3.050 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819152584 727352973 /nfs/dbraw/zinc/35/29/73/727352973.db2.gz XFMZTLPYYUSROV-WMLDXEAASA-N 2 1 355.320 3.050 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819152583 727352988 /nfs/dbraw/zinc/35/29/88/727352988.db2.gz XFMZTLPYYUSROV-RHSMWYFYSA-N 2 1 355.320 3.050 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820867028 729038907 /nfs/dbraw/zinc/03/89/07/729038907.db2.gz GTQVOIGFHVARMG-KFWWJZLASA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820867028 729038909 /nfs/dbraw/zinc/03/89/09/729038909.db2.gz GTQVOIGFHVARMG-KFWWJZLASA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867028 729038912 /nfs/dbraw/zinc/03/89/12/729038912.db2.gz GTQVOIGFHVARMG-KFWWJZLASA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867028 729038915 /nfs/dbraw/zinc/03/89/15/729038915.db2.gz GTQVOIGFHVARMG-KFWWJZLASA-N 2 1 361.477 3.046 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465427 729283223 /nfs/dbraw/zinc/28/32/23/729283223.db2.gz YBXSPPPMZBIYIN-ZWOKBUDYSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465427 729283226 /nfs/dbraw/zinc/28/32/26/729283226.db2.gz YBXSPPPMZBIYIN-ZWOKBUDYSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465427 729283228 /nfs/dbraw/zinc/28/32/28/729283228.db2.gz YBXSPPPMZBIYIN-ZWOKBUDYSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666704 729297325 /nfs/dbraw/zinc/29/73/25/729297325.db2.gz QNVZJOAHEQMZCN-BRSBDYLESA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000824439675 729338491 /nfs/dbraw/zinc/33/84/91/729338491.db2.gz PRPVXSFMTGZPIJ-FXAWDEMLSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000824439675 729338494 /nfs/dbraw/zinc/33/84/94/729338494.db2.gz PRPVXSFMTGZPIJ-FXAWDEMLSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000824439675 729338496 /nfs/dbraw/zinc/33/84/96/729338496.db2.gz PRPVXSFMTGZPIJ-FXAWDEMLSA-N 2 1 353.551 3.201 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCN1C(=O)OC(C)(C)C ZINC000824989093 729366879 /nfs/dbraw/zinc/36/68/79/729366879.db2.gz ZSTZUAWREDYKLR-CIQAELJKSA-N 2 1 351.535 3.237 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000831535658 729649523 /nfs/dbraw/zinc/64/95/23/729649523.db2.gz YYSRLWUBTGNSGO-PKOBYXMFSA-N 2 1 353.457 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000831535658 729649525 /nfs/dbraw/zinc/64/95/25/729649525.db2.gz YYSRLWUBTGNSGO-PKOBYXMFSA-N 2 1 353.457 3.124 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566638 729814934 /nfs/dbraw/zinc/81/49/34/729814934.db2.gz PTLVZAFTUVTONT-KZNAEPCWSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842668243 730527273 /nfs/dbraw/zinc/52/72/73/730527273.db2.gz LHGLRDBOUCVCST-XMTFNYHQSA-N 2 1 353.551 3.342 20 0 FGADMP O=C1[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000843364724 730610775 /nfs/dbraw/zinc/61/07/75/730610775.db2.gz NGRHKXUSPAMSET-MRXNPFEDSA-N 2 1 368.308 3.174 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000843363854 730611041 /nfs/dbraw/zinc/61/10/41/730611041.db2.gz FPNYKXXYNOZDQT-ZDUSSCGKSA-N 2 1 370.324 3.246 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000851730591 731488146 /nfs/dbraw/zinc/48/81/46/731488146.db2.gz DNPFBECCCRJBLL-UHFFFAOYSA-N 2 1 352.910 3.117 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)nc2)CC1 ZINC000851730591 731488153 /nfs/dbraw/zinc/48/81/53/731488153.db2.gz DNPFBECCCRJBLL-UHFFFAOYSA-N 2 1 352.910 3.117 20 0 FGADMP Clc1ncccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000852761811 731631843 /nfs/dbraw/zinc/63/18/43/731631843.db2.gz BPGIEKBEDNLZPB-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1ncccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000852761811 731631847 /nfs/dbraw/zinc/63/18/47/731631847.db2.gz BPGIEKBEDNLZPB-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1SC(F)F ZINC000854226198 731806160 /nfs/dbraw/zinc/80/61/60/731806160.db2.gz JMYAHLMJVABCFF-ZDUSSCGKSA-N 2 1 374.501 3.395 20 0 FGADMP Cc1ncc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)s1 ZINC000856561854 732039072 /nfs/dbraw/zinc/03/90/72/732039072.db2.gz SRCKVRWVGWNQBB-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856561854 732039076 /nfs/dbraw/zinc/03/90/76/732039076.db2.gz SRCKVRWVGWNQBB-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856561854 732039082 /nfs/dbraw/zinc/03/90/82/732039082.db2.gz SRCKVRWVGWNQBB-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585110 732039409 /nfs/dbraw/zinc/03/94/09/732039409.db2.gz ZMIRUKMHQBUCJQ-CRAIPNDOSA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585110 732039415 /nfs/dbraw/zinc/03/94/15/732039415.db2.gz ZMIRUKMHQBUCJQ-CRAIPNDOSA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585110 732039421 /nfs/dbraw/zinc/03/94/21/732039421.db2.gz ZMIRUKMHQBUCJQ-CRAIPNDOSA-N 2 1 353.457 3.422 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590496 732039782 /nfs/dbraw/zinc/03/97/82/732039782.db2.gz VOAUYNZLFCQFPL-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590496 732039785 /nfs/dbraw/zinc/03/97/85/732039785.db2.gz VOAUYNZLFCQFPL-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590496 732039789 /nfs/dbraw/zinc/03/97/89/732039789.db2.gz VOAUYNZLFCQFPL-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590496 732039794 /nfs/dbraw/zinc/03/97/94/732039794.db2.gz VOAUYNZLFCQFPL-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP Cc1ccccc1SC[C@@H](C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193232 732288301 /nfs/dbraw/zinc/28/83/01/732288301.db2.gz RZARSUCNDPAYPE-ICSRJNTNSA-N 2 1 361.599 3.435 20 0 FGADMP CCCCn1nc(C)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1Cl ZINC000863651925 732990502 /nfs/dbraw/zinc/99/05/02/732990502.db2.gz KXBLFFRKCGEYFN-KRWDZBQOSA-N 2 1 368.953 3.236 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cccnc2Br)cc1 ZINC000865417472 733195383 /nfs/dbraw/zinc/19/53/83/733195383.db2.gz LVENYSQBHGHELN-UHFFFAOYSA-N 2 1 364.287 3.074 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872031021 735578865 /nfs/dbraw/zinc/57/88/65/735578865.db2.gz LBUAGICSTJWKRJ-NVXWUHKLSA-N 2 1 364.287 3.321 20 0 FGADMP C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCCCCC[NH3+] ZINC000872155462 735596893 /nfs/dbraw/zinc/59/68/93/735596893.db2.gz STAVTBFIMNKBSF-SECBINFHSA-N 2 1 367.362 3.160 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107493 736772611 /nfs/dbraw/zinc/77/26/11/736772611.db2.gz PUMWGWUYJWNEEI-VAMGGRTRSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107493 736772615 /nfs/dbraw/zinc/77/26/15/736772615.db2.gz PUMWGWUYJWNEEI-VAMGGRTRSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107493 736772619 /nfs/dbraw/zinc/77/26/19/736772619.db2.gz PUMWGWUYJWNEEI-VAMGGRTRSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107493 736772621 /nfs/dbraw/zinc/77/26/21/736772621.db2.gz PUMWGWUYJWNEEI-VAMGGRTRSA-N 2 1 350.547 3.159 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3ccc(F)c(Br)c3)C2)CC1 ZINC000878867326 736927406 /nfs/dbraw/zinc/92/74/06/736927406.db2.gz RUCBUUUYPOSNMQ-MRXNPFEDSA-N 2 1 371.294 3.039 20 0 FGADMP CC(C)(O)[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879962485 737091152 /nfs/dbraw/zinc/09/11/52/737091152.db2.gz OFYVPDXRNQSLEN-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)(O)[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879962485 737091153 /nfs/dbraw/zinc/09/11/53/737091153.db2.gz OFYVPDXRNQSLEN-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)(O)[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879962485 737091155 /nfs/dbraw/zinc/09/11/55/737091155.db2.gz OFYVPDXRNQSLEN-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441179 737567021 /nfs/dbraw/zinc/56/70/21/737567021.db2.gz JHNQHIHREZTVKB-YSIASYRMSA-N 2 1 350.547 3.334 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000891725804 739931482 /nfs/dbraw/zinc/93/14/82/739931482.db2.gz BCJBKVSWHXNTNN-QZTJIDSGSA-N 2 1 366.937 3.246 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000891725804 739931485 /nfs/dbraw/zinc/93/14/85/739931485.db2.gz BCJBKVSWHXNTNN-QZTJIDSGSA-N 2 1 366.937 3.246 20 0 FGADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)OCCO2 ZINC000892775599 740042261 /nfs/dbraw/zinc/04/22/61/740042261.db2.gz XLKBEKKRRCMQDW-RTBURBONSA-N 2 1 354.510 3.254 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000893324272 742140797 /nfs/dbraw/zinc/14/07/97/742140797.db2.gz QUYTZZGQRFECFH-UHFFFAOYSA-N 2 1 368.319 3.372 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC([NH2+]C3CCC3)CC2)C1 ZINC000897981183 742730232 /nfs/dbraw/zinc/73/02/32/742730232.db2.gz JRXKAMBLBXMCCJ-FQEVSTJZSA-N 2 1 351.535 3.240 20 0 FGADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903176450 743817763 /nfs/dbraw/zinc/81/77/63/743817763.db2.gz AHKBRGDXKRDLEO-DUZACMNTSA-N 2 1 351.535 3.427 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460833 743853342 /nfs/dbraw/zinc/85/33/42/743853342.db2.gz JOXUAFRSLZWDQU-IEWDOMPSSA-N 2 1 350.453 3.396 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000903498730 743856574 /nfs/dbraw/zinc/85/65/74/743856574.db2.gz CMPITDOCIQRNAQ-ZIAGYGMSSA-N 2 1 361.511 3.244 20 0 FGADMP Clc1ccccc1C[C@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885668 743892489 /nfs/dbraw/zinc/89/24/89/743892489.db2.gz IOTJOYQRTMCQLO-SJORKVTESA-N 2 1 359.905 3.063 20 0 FGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000903955236 743904683 /nfs/dbraw/zinc/90/46/83/743904683.db2.gz NMVLYXDECUNFCS-GFCCVEGCSA-N 2 1 370.241 3.332 20 0 FGADMP [NH3+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000904659958 743966845 /nfs/dbraw/zinc/96/68/45/743966845.db2.gz QWAXOKFQTGGOBC-OAHLLOKOSA-N 2 1 358.511 3.241 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC[NH2+]C(C)(C)C)C2)s1 ZINC000935884004 761963595 /nfs/dbraw/zinc/96/35/95/761963595.db2.gz ZOOGIMNWJHILBG-INIZCTEOSA-N 2 1 351.560 3.115 20 0 FGADMP CCC(CC)C[N@H+]1CCC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948389487 762328499 /nfs/dbraw/zinc/32/84/99/762328499.db2.gz TYHISMHILDPOAD-SLFFLAALSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948389487 762328507 /nfs/dbraw/zinc/32/85/07/762328507.db2.gz TYHISMHILDPOAD-SLFFLAALSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948389487 762328517 /nfs/dbraw/zinc/32/85/17/762328517.db2.gz TYHISMHILDPOAD-SLFFLAALSA-N 2 1 351.579 3.466 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388789 758910664 /nfs/dbraw/zinc/91/06/64/758910664.db2.gz RGXGRDFFPRTWDK-TVFCKZIOSA-N 2 1 367.331 3.018 20 0 FGADMP CS(=O)(=O)c1ccccc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000922681661 758978605 /nfs/dbraw/zinc/97/86/05/758978605.db2.gz RDHAGXKJDOVFIN-UHFFFAOYSA-N 2 1 364.555 3.019 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375746 759108185 /nfs/dbraw/zinc/10/81/85/759108185.db2.gz DAFABLAMHHRLLV-RYUDHWBXSA-N 2 1 357.317 3.026 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964158 759424396 /nfs/dbraw/zinc/42/43/96/759424396.db2.gz JKMHVSQVSQPWHF-RYUDHWBXSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964158 759424399 /nfs/dbraw/zinc/42/43/99/759424399.db2.gz JKMHVSQVSQPWHF-RYUDHWBXSA-N 2 1 363.449 3.005 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cnn1-c1ccc(F)cc1 ZINC000925781970 759537434 /nfs/dbraw/zinc/53/74/34/759537434.db2.gz JPWNYVAUOAZHMC-OCCSQVGLSA-N 2 1 352.404 3.215 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792835 759541351 /nfs/dbraw/zinc/54/13/51/759541351.db2.gz QJKCVZCRRLZZTK-GDBMZVCRSA-N 2 1 356.432 3.385 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848038 760469686 /nfs/dbraw/zinc/46/96/86/760469686.db2.gz OWHPNQSHPYIRBY-ZJPYXAASSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848038 760469692 /nfs/dbraw/zinc/46/96/92/760469692.db2.gz OWHPNQSHPYIRBY-ZJPYXAASSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848038 760469699 /nfs/dbraw/zinc/46/96/99/760469699.db2.gz OWHPNQSHPYIRBY-ZJPYXAASSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 ZINC000930577124 760646212 /nfs/dbraw/zinc/64/62/12/760646212.db2.gz JFZVROBHCWGOII-FUHIMQAGSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@@]2(C)C1 ZINC000931306301 760823946 /nfs/dbraw/zinc/82/39/46/760823946.db2.gz KRBOKMPZQPIASD-QZTJIDSGSA-N 2 1 353.869 3.081 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC(C)([NH+](C)C)CC2)cc1Cl ZINC000931355606 760837860 /nfs/dbraw/zinc/83/78/60/760837860.db2.gz UIMVWWBKMHMZBL-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC000968737755 762842174 /nfs/dbraw/zinc/84/21/74/762842174.db2.gz GIQWFLVVFXNFTK-ZIFCJYIRSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[NH+](C/C=C/Cl)CC2)CC[N@H+]1C ZINC000998006642 765091543 /nfs/dbraw/zinc/09/15/43/765091543.db2.gz LKTUCIALAWZUAH-DRBQWCDHSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[N@H+](C/C=C/Cl)CC2)CC[NH+]1C ZINC000998006642 765091556 /nfs/dbraw/zinc/09/15/56/765091556.db2.gz LKTUCIALAWZUAH-DRBQWCDHSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[N@@H+](C/C=C/Cl)CC2)CC[NH+]1C ZINC000998006642 765091563 /nfs/dbraw/zinc/09/15/63/765091563.db2.gz LKTUCIALAWZUAH-DRBQWCDHSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[NH+](C/C=C\Cl)C3)C2)CC[N@H+]1C ZINC001045938715 766576330 /nfs/dbraw/zinc/57/63/30/766576330.db2.gz JQTFVIDJORBHCA-FOIKCUMBSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@H+](C/C=C\Cl)C3)C2)CC[NH+]1C ZINC001045938715 766576337 /nfs/dbraw/zinc/57/63/37/766576337.db2.gz JQTFVIDJORBHCA-FOIKCUMBSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@]3(CC[N@@H+](C/C=C\Cl)C3)C2)CC[NH+]1C ZINC001045938715 766576345 /nfs/dbraw/zinc/57/63/45/766576345.db2.gz JQTFVIDJORBHCA-FOIKCUMBSA-N 2 1 367.965 3.174 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000333449595 257388290 /nfs/dbraw/zinc/38/82/90/257388290.db2.gz NIBSIVINCLBRAO-GOSISDBHSA-N 2 1 359.518 3.096 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000333449595 257388291 /nfs/dbraw/zinc/38/82/91/257388291.db2.gz NIBSIVINCLBRAO-GOSISDBHSA-N 2 1 359.518 3.096 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000576709731 505576336 /nfs/dbraw/zinc/57/63/36/505576336.db2.gz UBIJKNSVIAWGQN-KRWDZBQOSA-N 2 1 358.457 3.455 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000576709731 505576341 /nfs/dbraw/zinc/57/63/41/505576341.db2.gz UBIJKNSVIAWGQN-KRWDZBQOSA-N 2 1 358.457 3.455 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3CCC(F)(F)CC3)CC2)CC1 ZINC000576715450 505577480 /nfs/dbraw/zinc/57/74/80/505577480.db2.gz JFKQOKVXPLGLGC-UHFFFAOYSA-N 2 1 371.516 3.124 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573682345 505596281 /nfs/dbraw/zinc/59/62/81/505596281.db2.gz VIWCZVAYTDLHHJ-MISYRCLQSA-N 2 1 355.526 3.065 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573682345 505596285 /nfs/dbraw/zinc/59/62/85/505596285.db2.gz VIWCZVAYTDLHHJ-MISYRCLQSA-N 2 1 355.526 3.065 20 0 FGADMP CN(CCC[N@@H+](C)Cc1c[nH]nc1-c1ccc(Cl)cc1)CC[NH+](C)C ZINC000570857449 505597174 /nfs/dbraw/zinc/59/71/74/505597174.db2.gz OIXWMSYEHBDGDX-UHFFFAOYSA-N 2 1 363.937 3.045 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)Cc3ccccc3C)CC2)CC1 ZINC000570864536 505598592 /nfs/dbraw/zinc/59/85/92/505598592.db2.gz VMNUZLSUAVRARF-LJQANCHMSA-N 2 1 371.569 3.239 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000568031142 505599392 /nfs/dbraw/zinc/59/93/92/505599392.db2.gz OSDPZBUWRWXKTC-IBGZPJMESA-N 2 1 360.546 3.115 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000568081532 505612065 /nfs/dbraw/zinc/61/20/65/505612065.db2.gz PCWOERQUZDFMFW-NRFANRHFSA-N 2 1 351.494 3.119 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836314 505630046 /nfs/dbraw/zinc/63/00/46/505630046.db2.gz GCNYOUIIYGKHGW-RTWAWAEBSA-N 2 1 362.521 3.429 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836314 505630051 /nfs/dbraw/zinc/63/00/51/505630051.db2.gz GCNYOUIIYGKHGW-RTWAWAEBSA-N 2 1 362.521 3.429 20 0 FGADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000571004402 505630635 /nfs/dbraw/zinc/63/06/35/505630635.db2.gz QCOFNTLCADEDQL-GOSISDBHSA-N 2 1 361.449 3.118 20 0 FGADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571004402 505630639 /nfs/dbraw/zinc/63/06/39/505630639.db2.gz QCOFNTLCADEDQL-GOSISDBHSA-N 2 1 361.449 3.118 20 0 FGADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000576957952 505634081 /nfs/dbraw/zinc/63/40/81/505634081.db2.gz UAMFLDXSADWTKI-IXDOHACOSA-N 2 1 354.498 3.245 20 0 FGADMP Cc1cccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)N2CCOCC2)c1 ZINC000573911862 505649200 /nfs/dbraw/zinc/64/92/00/505649200.db2.gz XDJPBYULECTZSD-VSKRKVRLSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCc4cncn4C3)cc2)C1 ZINC000577066446 505656595 /nfs/dbraw/zinc/65/65/95/505656595.db2.gz SKFAYYDXLXMCHU-WMZOPIPTSA-N 2 1 352.482 3.316 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCc3c[nH+]c4n3CCCC4)CC2)CC1 ZINC000579992644 505657720 /nfs/dbraw/zinc/65/77/20/505657720.db2.gz RPHJITQICBOFHX-UHFFFAOYSA-N 2 1 373.545 3.062 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000568259584 505654610 /nfs/dbraw/zinc/65/46/10/505654610.db2.gz FEXXXLPLYFNVTI-QUCCMNQESA-N 2 1 369.509 3.140 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000057609235 493776565 /nfs/dbraw/zinc/77/65/65/493776565.db2.gz QWWCCUZVEZEPQO-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332159 493867722 /nfs/dbraw/zinc/86/77/22/493867722.db2.gz PGPCBEMZTOJSKA-CQSZACIVSA-N 2 1 370.900 3.359 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024740 493892018 /nfs/dbraw/zinc/89/20/18/493892018.db2.gz OLHHYIKIGXDILU-OALUTQOASA-N 2 1 371.550 3.379 20 0 FGADMP COc1ccc([C@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCCC2)cc1 ZINC000060344325 493924173 /nfs/dbraw/zinc/92/41/73/493924173.db2.gz GKCHTDNRQXDCQX-FQEVSTJZSA-N 2 1 358.530 3.478 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081615083 493930811 /nfs/dbraw/zinc/93/08/11/493930811.db2.gz NBDBPEGKFWYPPB-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081615083 493930815 /nfs/dbraw/zinc/93/08/15/493930815.db2.gz NBDBPEGKFWYPPB-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081615083 493930820 /nfs/dbraw/zinc/93/08/20/493930820.db2.gz NBDBPEGKFWYPPB-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081615083 493930826 /nfs/dbraw/zinc/93/08/26/493930826.db2.gz NBDBPEGKFWYPPB-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635255 493934731 /nfs/dbraw/zinc/93/47/31/493934731.db2.gz LIJIHOPXCQZRDZ-KRWDZBQOSA-N 2 1 363.933 3.010 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635255 493934733 /nfs/dbraw/zinc/93/47/33/493934733.db2.gz LIJIHOPXCQZRDZ-KRWDZBQOSA-N 2 1 363.933 3.010 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000081635255 493934739 /nfs/dbraw/zinc/93/47/39/493934739.db2.gz LIJIHOPXCQZRDZ-KRWDZBQOSA-N 2 1 363.933 3.010 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000069301122 493953492 /nfs/dbraw/zinc/95/34/92/493953492.db2.gz XMJMGTBFWNCUQH-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000069301122 493953495 /nfs/dbraw/zinc/95/34/95/493953495.db2.gz XMJMGTBFWNCUQH-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000069301122 493953497 /nfs/dbraw/zinc/95/34/97/493953497.db2.gz XMJMGTBFWNCUQH-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000577226092 505691301 /nfs/dbraw/zinc/69/13/01/505691301.db2.gz BMAJLLXCJGQVJT-FQEVSTJZSA-N 2 1 369.896 3.223 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000577226092 505691304 /nfs/dbraw/zinc/69/13/04/505691304.db2.gz BMAJLLXCJGQVJT-FQEVSTJZSA-N 2 1 369.896 3.223 20 0 FGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOC3(CCOCC3)CC2)c1 ZINC000571263306 505692758 /nfs/dbraw/zinc/69/27/58/505692758.db2.gz ZAMIIXVGGSZZPD-UHFFFAOYSA-N 2 1 358.526 3.444 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000062359835 494010312 /nfs/dbraw/zinc/01/03/12/494010312.db2.gz OUADKLSWGAAGDO-NHCUHLMSSA-N 2 1 353.510 3.489 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000052559847 494040027 /nfs/dbraw/zinc/04/00/27/494040027.db2.gz IWYXDZWJGXBLOB-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000052559847 494040030 /nfs/dbraw/zinc/04/00/30/494040030.db2.gz IWYXDZWJGXBLOB-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](Cc1ccccc1CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000052559847 494040033 /nfs/dbraw/zinc/04/00/33/494040033.db2.gz IWYXDZWJGXBLOB-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000063302444 494042523 /nfs/dbraw/zinc/04/25/23/494042523.db2.gz BHXPHESOHAJBIE-GOSISDBHSA-N 2 1 357.542 3.198 20 0 FGADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000084381569 494068100 /nfs/dbraw/zinc/06/81/00/494068100.db2.gz BDMWNPCCOPTALX-QGZVFWFLSA-N 2 1 363.571 3.293 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc2ccccc21 ZINC000053017341 494084258 /nfs/dbraw/zinc/08/42/58/494084258.db2.gz OSWSEHWZNACSIL-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000063771112 494086335 /nfs/dbraw/zinc/08/63/35/494086335.db2.gz JVUDMSLHJLOJCY-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000063771112 494086338 /nfs/dbraw/zinc/08/63/38/494086338.db2.gz JVUDMSLHJLOJCY-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP CN(CC[NH+](C)C1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000063771112 494086341 /nfs/dbraw/zinc/08/63/41/494086341.db2.gz JVUDMSLHJLOJCY-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000036897407 494100787 /nfs/dbraw/zinc/10/07/87/494100787.db2.gz KPOMSSKLYFTXEY-UHFFFAOYSA-N 2 1 357.292 3.042 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000085388350 494119224 /nfs/dbraw/zinc/11/92/24/494119224.db2.gz OWKCAFFNQPLXPC-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000072055262 494121729 /nfs/dbraw/zinc/12/17/29/494121729.db2.gz HKIPDKMYBDVWQX-HDICACEKSA-N 2 1 365.949 3.209 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000072055262 494121731 /nfs/dbraw/zinc/12/17/31/494121731.db2.gz HKIPDKMYBDVWQX-HDICACEKSA-N 2 1 365.949 3.209 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Cl)c1 ZINC000064508653 494129539 /nfs/dbraw/zinc/12/95/39/494129539.db2.gz MFNOVUQUZRPNPO-UHFFFAOYSA-N 2 1 363.933 3.293 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077694467 494147010 /nfs/dbraw/zinc/14/70/10/494147010.db2.gz TYWIWWYJAQUWGL-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077694467 494147013 /nfs/dbraw/zinc/14/70/13/494147013.db2.gz TYWIWWYJAQUWGL-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077694467 494147018 /nfs/dbraw/zinc/14/70/18/494147018.db2.gz TYWIWWYJAQUWGL-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000086339750 494149550 /nfs/dbraw/zinc/14/95/50/494149550.db2.gz YUHUOYDKTICSJJ-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000086368766 494150520 /nfs/dbraw/zinc/15/05/20/494150520.db2.gz XVHTVPYNCWDASW-IRXDYDNUSA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086393547 494151720 /nfs/dbraw/zinc/15/17/20/494151720.db2.gz VIVMEYMZOLFXJZ-WMZOPIPTSA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086393547 494151723 /nfs/dbraw/zinc/15/17/23/494151723.db2.gz VIVMEYMZOLFXJZ-WMZOPIPTSA-N 2 1 369.513 3.273 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000065521804 494208681 /nfs/dbraw/zinc/20/86/81/494208681.db2.gz ZOMSCIGTMKNWOR-FPOVZHCZSA-N 2 1 372.557 3.243 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687622 494255050 /nfs/dbraw/zinc/25/50/50/494255050.db2.gz YOMIQINPNBVBNT-FQEVSTJZSA-N 3 1 358.574 3.040 20 0 FGADMP CCC[N@@H+]1CC[C@@H](CNCc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687622 494255053 /nfs/dbraw/zinc/25/50/53/494255053.db2.gz YOMIQINPNBVBNT-FQEVSTJZSA-N 2 1 358.574 3.040 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNCc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687622 494255057 /nfs/dbraw/zinc/25/50/57/494255057.db2.gz YOMIQINPNBVBNT-FQEVSTJZSA-N 2 1 358.574 3.040 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(N3CCCC3)nc2)c1 ZINC000065976685 494264725 /nfs/dbraw/zinc/26/47/25/494264725.db2.gz FRFJEBZFZZFXBM-UHFFFAOYSA-N 2 1 353.514 3.207 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2cccc(C)c2C)CC1 ZINC000089131715 494268904 /nfs/dbraw/zinc/26/89/04/494268904.db2.gz YVJYYCQPNVKZBP-NRFANRHFSA-N 2 1 357.542 3.431 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000066047068 494273377 /nfs/dbraw/zinc/27/33/77/494273377.db2.gz OEFWODXLAVKJDQ-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000072949900 494289041 /nfs/dbraw/zinc/28/90/41/494289041.db2.gz KDTXMPOUOUNKDP-MOPGFXCFSA-N 2 1 374.529 3.108 20 0 FGADMP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523030 494313678 /nfs/dbraw/zinc/31/36/78/494313678.db2.gz DPHBWSBREUBWOS-UXHICEINSA-N 2 1 366.594 3.163 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000066568236 494357484 /nfs/dbraw/zinc/35/74/84/494357484.db2.gz FUFMGUOPPMRTBB-KRWDZBQOSA-N 2 1 361.505 3.153 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533231 494363864 /nfs/dbraw/zinc/36/38/64/494363864.db2.gz OIWIAFUWDQAIGQ-QWHCGFSZSA-N 2 1 358.267 3.284 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NCCCCn2cc[nH+]c2C)[NH+](C)C)cc1 ZINC000073494166 494378676 /nfs/dbraw/zinc/37/86/76/494378676.db2.gz ISGUFHOTUHKRLE-FQEVSTJZSA-N 2 1 371.529 3.136 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000044907662 494388306 /nfs/dbraw/zinc/38/83/06/494388306.db2.gz FHAISTAMJABHOR-KDURUIRLSA-N 2 1 357.542 3.380 20 0 FGADMP CC(C)(C)C(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000078999424 494390458 /nfs/dbraw/zinc/39/04/58/494390458.db2.gz OBJJXIQCJOFLSB-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000073666610 494409500 /nfs/dbraw/zinc/40/95/00/494409500.db2.gz GKRMFKFRDVLNAP-SFTDATJTSA-N 2 1 372.557 3.339 20 0 FGADMP CC(C)[NH+](Cc1cncc(C[N@H+](C(C)C)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000580277820 505720536 /nfs/dbraw/zinc/72/05/36/505720536.db2.gz BEYQVRMQOKNKSG-SFTDATJTSA-N 2 1 361.530 3.080 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073677742 494412216 /nfs/dbraw/zinc/41/22/16/494412216.db2.gz HLTRJFBQCNJVOW-ZCNNSNEGSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073677742 494412217 /nfs/dbraw/zinc/41/22/17/494412217.db2.gz HLTRJFBQCNJVOW-ZCNNSNEGSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000073677742 494412218 /nfs/dbraw/zinc/41/22/18/494412218.db2.gz HLTRJFBQCNJVOW-ZCNNSNEGSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000073930637 494450840 /nfs/dbraw/zinc/45/08/40/494450840.db2.gz KWXPUHKMGWNVAQ-IBGZPJMESA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000090521760 494477469 /nfs/dbraw/zinc/47/74/69/494477469.db2.gz STVPRECLRXBPJN-KYJSFNMBSA-N 2 1 374.447 3.056 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079569722 494484021 /nfs/dbraw/zinc/48/40/21/494484021.db2.gz FGFISHIUOCQUOZ-FQEVSTJZSA-N 2 1 360.546 3.051 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000090653671 494491106 /nfs/dbraw/zinc/49/11/06/494491106.db2.gz KQOVGMQEBAMUIA-JPYJTQIMSA-N 2 1 370.512 3.414 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(=O)n3c(C)csc3n2)CC1 ZINC000074319661 494518447 /nfs/dbraw/zinc/51/84/47/494518447.db2.gz JIQZPZKKQXDWSC-UHFFFAOYSA-N 2 1 362.543 3.008 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524025 494520122 /nfs/dbraw/zinc/52/01/22/494520122.db2.gz XRDUJOXOBQINLE-CQSZACIVSA-N 2 1 369.456 3.279 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091306412 494580345 /nfs/dbraw/zinc/58/03/45/494580345.db2.gz HFVYGJAGHHFAMD-GOSISDBHSA-N 2 1 367.331 3.337 20 0 FGADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000107692269 494584939 /nfs/dbraw/zinc/58/49/39/494584939.db2.gz PLUHKUWFODIWDR-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091335977 494585515 /nfs/dbraw/zinc/58/55/15/494585515.db2.gz LFEQAQKRNFEVMK-KDOFPFPSSA-N 2 1 367.331 3.119 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080114991 494602583 /nfs/dbraw/zinc/60/25/83/494602583.db2.gz YTUYTPDWXMVUKJ-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000107832856 494608366 /nfs/dbraw/zinc/60/83/66/494608366.db2.gz WFRIOZHCSZQRLL-OAQYLSRUSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080159593 494617921 /nfs/dbraw/zinc/61/79/21/494617921.db2.gz WPOXYYYJGFOUBE-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080159593 494617925 /nfs/dbraw/zinc/61/79/25/494617925.db2.gz WPOXYYYJGFOUBE-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080159593 494617927 /nfs/dbraw/zinc/61/79/27/494617927.db2.gz WPOXYYYJGFOUBE-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131461668 494628247 /nfs/dbraw/zinc/62/82/47/494628247.db2.gz TYCAZXGRUACGIM-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115828598 494634856 /nfs/dbraw/zinc/63/48/56/494634856.db2.gz UEVQKDKUFDROMG-MSOLQXFVSA-N 2 1 360.546 3.099 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000075007871 494672441 /nfs/dbraw/zinc/67/24/41/494672441.db2.gz DKZFFQXIPSKENY-UHFFFAOYSA-N 2 1 358.486 3.059 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619724 505738266 /nfs/dbraw/zinc/73/82/66/505738266.db2.gz GHYVVWLTSIJYMS-KNQAVFIVSA-N 2 1 368.521 3.415 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C[C@@H](C)O1 ZINC000131920792 494773059 /nfs/dbraw/zinc/77/30/59/494773059.db2.gz WMGGCUVLNPSRQV-IAGOWNOFSA-N 2 1 356.514 3.274 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)CC1 ZINC000092165984 494802649 /nfs/dbraw/zinc/80/26/49/494802649.db2.gz WVIFALVEBNYZKA-UHFFFAOYSA-N 2 1 362.514 3.161 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000093132746 494831261 /nfs/dbraw/zinc/83/12/61/494831261.db2.gz VBNUSAZRQULLPY-OAQYLSRUSA-N 2 1 353.510 3.060 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cccc(CO)c3)CC2)oc1C ZINC000121799702 494862434 /nfs/dbraw/zinc/86/24/34/494862434.db2.gz NAMMIIIKMQFLPL-INIZCTEOSA-N 2 1 357.498 3.347 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CC2)oc1C ZINC000121800045 494862663 /nfs/dbraw/zinc/86/26/63/494862663.db2.gz FEDNTYWEMXYAAO-TYPHKJRUSA-N 2 1 373.541 3.441 20 0 FGADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336723 494872091 /nfs/dbraw/zinc/87/20/91/494872091.db2.gz BLQLGMCECKTXRZ-GOSISDBHSA-N 2 1 368.477 3.378 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336723 494872095 /nfs/dbraw/zinc/87/20/95/494872095.db2.gz BLQLGMCECKTXRZ-GOSISDBHSA-N 2 1 368.477 3.378 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336723 494872098 /nfs/dbraw/zinc/87/20/98/494872098.db2.gz BLQLGMCECKTXRZ-GOSISDBHSA-N 2 1 368.477 3.378 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336723 494872102 /nfs/dbraw/zinc/87/21/02/494872102.db2.gz BLQLGMCECKTXRZ-GOSISDBHSA-N 2 1 368.477 3.378 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000574321626 505747081 /nfs/dbraw/zinc/74/70/81/505747081.db2.gz KITUDITUOGTSOL-RZUBCFFCSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000574321626 505747084 /nfs/dbraw/zinc/74/70/84/505747084.db2.gz KITUDITUOGTSOL-RZUBCFFCSA-N 2 1 371.569 3.273 20 0 FGADMP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000577536757 505747278 /nfs/dbraw/zinc/74/72/78/505747278.db2.gz OWSANCLFKCCSSI-JTJHWIPRSA-N 2 1 354.498 3.065 20 0 FGADMP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000577536757 505747282 /nfs/dbraw/zinc/74/72/82/505747282.db2.gz OWSANCLFKCCSSI-JTJHWIPRSA-N 2 1 354.498 3.065 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000122047576 494915487 /nfs/dbraw/zinc/91/54/87/494915487.db2.gz AIGIDILBHXXSPC-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccc2NC(C)=O)CC1 ZINC000093769475 494918617 /nfs/dbraw/zinc/91/86/17/494918617.db2.gz JPLXNCFQRIMZFF-UHFFFAOYSA-N 2 1 361.530 3.215 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320594 494927365 /nfs/dbraw/zinc/92/73/65/494927365.db2.gz YBIBVMULILUGHW-SFHVURJKSA-N 2 1 364.921 3.364 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320594 494927368 /nfs/dbraw/zinc/92/73/68/494927368.db2.gz YBIBVMULILUGHW-SFHVURJKSA-N 2 1 364.921 3.364 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320594 494927371 /nfs/dbraw/zinc/92/73/71/494927371.db2.gz YBIBVMULILUGHW-SFHVURJKSA-N 2 1 364.921 3.364 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320594 494927377 /nfs/dbraw/zinc/92/73/77/494927377.db2.gz YBIBVMULILUGHW-SFHVURJKSA-N 2 1 364.921 3.364 20 0 FGADMP COCc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000093844184 494927635 /nfs/dbraw/zinc/92/76/35/494927635.db2.gz OMTMDBAZUWHJPA-CALCHBBNSA-N 2 1 350.503 3.137 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000122200261 494939359 /nfs/dbraw/zinc/93/93/59/494939359.db2.gz YBPUTEYTATZDCO-MRXNPFEDSA-N 2 1 352.523 3.324 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C(C)C)no2)CC1 ZINC000122200261 494939361 /nfs/dbraw/zinc/93/93/61/494939361.db2.gz YBPUTEYTATZDCO-MRXNPFEDSA-N 2 1 352.523 3.324 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133007094 494955580 /nfs/dbraw/zinc/95/55/80/494955580.db2.gz YEMFDROJAOAJMA-LJQANCHMSA-N 2 1 358.574 3.181 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133007094 494955583 /nfs/dbraw/zinc/95/55/83/494955583.db2.gz YEMFDROJAOAJMA-LJQANCHMSA-N 2 1 358.574 3.181 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000580417622 505755194 /nfs/dbraw/zinc/75/51/94/505755194.db2.gz RZGLYEMDWXSXGM-NLWGTHIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000580417622 505755198 /nfs/dbraw/zinc/75/51/98/505755198.db2.gz RZGLYEMDWXSXGM-NLWGTHIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000580417622 505755201 /nfs/dbraw/zinc/75/52/01/505755201.db2.gz RZGLYEMDWXSXGM-NLWGTHIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000122812471 495034565 /nfs/dbraw/zinc/03/45/65/495034565.db2.gz SXNXPZYTUDWUIZ-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)[nH+]1 ZINC000128182440 495056829 /nfs/dbraw/zinc/05/68/29/495056829.db2.gz QWBSZUBEVDUSGW-LMKMVOKYSA-N 2 1 357.523 3.447 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000111474232 495079797 /nfs/dbraw/zinc/07/97/97/495079797.db2.gz PHMUAGTZDGWSSP-QGZVFWFLSA-N 2 1 366.594 3.449 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)CN(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)cs1 ZINC000123179911 495092306 /nfs/dbraw/zinc/09/23/06/495092306.db2.gz UQUASWAYLVHTEE-KDOFPFPSSA-N 2 1 372.538 3.472 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000128847458 495158233 /nfs/dbraw/zinc/15/82/33/495158233.db2.gz DKYKDDUGCWNDKI-IBGZPJMESA-N 2 1 364.578 3.301 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000119421475 495163592 /nfs/dbraw/zinc/16/35/92/495163592.db2.gz ZGIWLDGWUXWFFY-UONOGXRCSA-N 2 1 365.905 3.140 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000129030077 495185810 /nfs/dbraw/zinc/18/58/10/495185810.db2.gz VPPAPVKOAADYQY-HBFSDRIKSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000112542243 495202992 /nfs/dbraw/zinc/20/29/92/495202992.db2.gz DIVSCEPFXOUYDR-AWEZNQCLSA-N 2 1 361.436 3.107 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119639267 495207393 /nfs/dbraw/zinc/20/73/93/495207393.db2.gz QSHRBXDNWNHWIS-HNNXBMFYSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129226441 495214469 /nfs/dbraw/zinc/21/44/69/495214469.db2.gz QQZGQVWTADPYSW-GQIGUUNPSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129226441 495214474 /nfs/dbraw/zinc/21/44/74/495214474.db2.gz QQZGQVWTADPYSW-GQIGUUNPSA-N 2 1 352.482 3.152 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119694986 495220428 /nfs/dbraw/zinc/22/04/28/495220428.db2.gz DGAFEDINOUWMMK-FPOVZHCZSA-N 2 1 351.494 3.057 20 0 FGADMP [NH3+][C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000119698037 495221163 /nfs/dbraw/zinc/22/11/63/495221163.db2.gz DARDENMRTMXJHE-KBRMVUAJSA-N 2 1 363.505 3.388 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135014797 495238432 /nfs/dbraw/zinc/23/84/32/495238432.db2.gz NSIWWINNZJCRDS-FQEVSTJZSA-N 2 1 357.542 3.483 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000129469418 495249834 /nfs/dbraw/zinc/24/98/34/495249834.db2.gz FAFBCAOIQBRRSL-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918881 495257145 /nfs/dbraw/zinc/25/71/45/495257145.db2.gz FIXJFVBFCAJTGM-JOCHJYFZSA-N 2 1 369.553 3.233 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124308337 495267606 /nfs/dbraw/zinc/26/76/06/495267606.db2.gz SRFJIAQQEHNCTO-HXUWFJFHSA-N 2 1 367.493 3.026 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124308337 495267611 /nfs/dbraw/zinc/26/76/11/495267611.db2.gz SRFJIAQQEHNCTO-HXUWFJFHSA-N 2 1 367.493 3.026 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000104137887 495269377 /nfs/dbraw/zinc/26/93/77/495269377.db2.gz LRVSEOSCGQPDPY-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP FC(F)(F)CN1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124325246 495270149 /nfs/dbraw/zinc/27/01/49/495270149.db2.gz DRBSXHLMMRVLKY-SFHVURJKSA-N 2 1 369.475 3.167 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C[C@@H]1n1ccnc1 ZINC000129797636 495296662 /nfs/dbraw/zinc/29/66/62/495296662.db2.gz JPZMAMABNIZFMX-HOCLYGCPSA-N 2 1 369.494 3.039 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000105094064 495335763 /nfs/dbraw/zinc/33/57/63/495335763.db2.gz IXGKXNUMETVIDB-NRFANRHFSA-N 2 1 372.557 3.204 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000105093878 495335952 /nfs/dbraw/zinc/33/59/52/495335952.db2.gz LECFXFZGXLZIMN-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP Brc1ccc2c(c1)[C@@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135363 495346261 /nfs/dbraw/zinc/34/62/61/495346261.db2.gz SMIQQLCUZBINGF-FMKPAKJESA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135363 495346265 /nfs/dbraw/zinc/34/62/65/495346265.db2.gz SMIQQLCUZBINGF-FMKPAKJESA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135363 495346269 /nfs/dbraw/zinc/34/62/69/495346269.db2.gz SMIQQLCUZBINGF-FMKPAKJESA-N 2 1 351.288 3.489 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000124932674 495366459 /nfs/dbraw/zinc/36/64/59/495366459.db2.gz IPCONCZSEQZOJB-UXHICEINSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000124932674 495366462 /nfs/dbraw/zinc/36/64/62/495366462.db2.gz IPCONCZSEQZOJB-UXHICEINSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000124932674 495366466 /nfs/dbraw/zinc/36/64/66/495366466.db2.gz IPCONCZSEQZOJB-UXHICEINSA-N 2 1 366.594 3.308 20 0 FGADMP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000114455290 495376780 /nfs/dbraw/zinc/37/67/80/495376780.db2.gz ITGRSORSZIFUOB-UHFFFAOYSA-N 2 1 351.922 3.151 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccc(Cl)c1 ZINC000114455290 495376782 /nfs/dbraw/zinc/37/67/82/495376782.db2.gz ITGRSORSZIFUOB-UHFFFAOYSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000114563002 495392254 /nfs/dbraw/zinc/39/22/54/495392254.db2.gz JRLPLSDSYKTYRU-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(Cl)cnn2C)cc1 ZINC000130529308 495405823 /nfs/dbraw/zinc/40/58/23/495405823.db2.gz PKGIMJIZSKSQCC-UHFFFAOYSA-N 2 1 350.894 3.084 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000130614002 495420137 /nfs/dbraw/zinc/42/01/37/495420137.db2.gz BCTOSYVCRIMYTK-GOSISDBHSA-N 2 1 358.461 3.157 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000130614002 495420138 /nfs/dbraw/zinc/42/01/38/495420138.db2.gz BCTOSYVCRIMYTK-GOSISDBHSA-N 2 1 358.461 3.157 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164763 495422074 /nfs/dbraw/zinc/42/20/74/495422074.db2.gz HVOJZEHNBLYFHD-IBGZPJMESA-N 2 1 370.497 3.101 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000120644677 495425995 /nfs/dbraw/zinc/42/59/95/495425995.db2.gz YUYFCIHYTHWQDO-CALCHBBNSA-N 2 1 361.555 3.152 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000125431926 495443038 /nfs/dbraw/zinc/44/30/38/495443038.db2.gz VZIHFVJXHJGCLG-GOSISDBHSA-N 2 1 355.526 3.371 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000106388497 495450475 /nfs/dbraw/zinc/45/04/75/495450475.db2.gz FLEVLUONGOAUEK-OAHLLOKOSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000106388497 495450480 /nfs/dbraw/zinc/45/04/80/495450480.db2.gz FLEVLUONGOAUEK-OAHLLOKOSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106522516 495461767 /nfs/dbraw/zinc/46/17/67/495461767.db2.gz QOAOHUJKFRTMAP-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000125829109 495505045 /nfs/dbraw/zinc/50/50/45/495505045.db2.gz XTHIJSZSEZTOAI-IBGZPJMESA-N 2 1 356.470 3.083 20 0 FGADMP COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000125829109 495505049 /nfs/dbraw/zinc/50/50/49/495505049.db2.gz XTHIJSZSEZTOAI-IBGZPJMESA-N 2 1 356.470 3.083 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000107369738 495526237 /nfs/dbraw/zinc/52/62/37/495526237.db2.gz CQTWBNMYYGNLFX-DOTOQJQBSA-N 2 1 353.457 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185353735 495544270 /nfs/dbraw/zinc/54/42/70/495544270.db2.gz FICFHFIJLMKZGV-KDURUIRLSA-N 2 1 374.573 3.258 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158660476 495561010 /nfs/dbraw/zinc/56/10/10/495561010.db2.gz ZIWIWOOZNSGNLR-OAGGEKHMSA-N 2 1 370.534 3.248 20 0 FGADMP Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000158667363 495562655 /nfs/dbraw/zinc/56/26/55/495562655.db2.gz KUGNKSIPXGXDCQ-LJQANCHMSA-N 2 1 361.530 3.494 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176264076 495569630 /nfs/dbraw/zinc/56/96/30/495569630.db2.gz LLDPWCNVCBJFSH-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP COc1ccccc1NC(=O)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000179449668 495595812 /nfs/dbraw/zinc/59/58/12/495595812.db2.gz NAQFKIHZHGWTAW-UHFFFAOYSA-N 2 1 370.497 3.331 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000150286154 495608953 /nfs/dbraw/zinc/60/89/53/495608953.db2.gz HQRKUPXXNKQLAL-XLIONFOSSA-N 2 1 371.550 3.379 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000150286154 495608958 /nfs/dbraw/zinc/60/89/58/495608958.db2.gz HQRKUPXXNKQLAL-XLIONFOSSA-N 2 1 371.550 3.379 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000150285951 495609023 /nfs/dbraw/zinc/60/90/23/495609023.db2.gz HQRKUPXXNKQLAL-FXAWDEMLSA-N 2 1 371.550 3.379 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000150285951 495609027 /nfs/dbraw/zinc/60/90/27/495609027.db2.gz HQRKUPXXNKQLAL-FXAWDEMLSA-N 2 1 371.550 3.379 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182555553 495613315 /nfs/dbraw/zinc/61/33/15/495613315.db2.gz BJMBLGNECFZIRH-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555553 495613320 /nfs/dbraw/zinc/61/33/20/495613320.db2.gz BJMBLGNECFZIRH-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555553 495613325 /nfs/dbraw/zinc/61/33/25/495613325.db2.gz BJMBLGNECFZIRH-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182575350 495622551 /nfs/dbraw/zinc/62/25/51/495622551.db2.gz PTWXBUUHRQSWDT-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154537807 495646825 /nfs/dbraw/zinc/64/68/25/495646825.db2.gz DGVDCVLCCIBXJD-OAHLLOKOSA-N 2 1 373.463 3.495 20 0 FGADMP CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179695375 495693002 /nfs/dbraw/zinc/69/30/02/495693002.db2.gz RFBNUIKJTIYWMC-GOSISDBHSA-N 2 1 353.514 3.029 20 0 FGADMP CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179695375 495693006 /nfs/dbraw/zinc/69/30/06/495693006.db2.gz RFBNUIKJTIYWMC-GOSISDBHSA-N 2 1 353.514 3.029 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@@H](C)O1 ZINC000150968982 495697996 /nfs/dbraw/zinc/69/79/96/495697996.db2.gz VDRXDCBXZCDKEM-HUUCEWRRSA-N 2 1 361.461 3.288 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000176565180 495700946 /nfs/dbraw/zinc/70/09/46/495700946.db2.gz QAENTNUNZIWAGP-WCIQWLHISA-N 2 1 364.578 3.155 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127359 495746358 /nfs/dbraw/zinc/74/63/58/495746358.db2.gz XEYQUTZCJKMYRF-IRXDYDNUSA-N 2 1 365.949 3.399 20 0 FGADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182956780 495774581 /nfs/dbraw/zinc/77/45/81/495774581.db2.gz QSUHNMSWPRXYEN-SFHVURJKSA-N 2 1 368.363 3.470 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000568898746 505803790 /nfs/dbraw/zinc/80/37/90/505803790.db2.gz IBJFAAMRFUZFJR-CQSZACIVSA-N 2 1 365.905 3.093 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000568898746 505803793 /nfs/dbraw/zinc/80/37/93/505803793.db2.gz IBJFAAMRFUZFJR-CQSZACIVSA-N 2 1 365.905 3.093 20 0 FGADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000580650254 505805772 /nfs/dbraw/zinc/80/57/72/505805772.db2.gz VBICTEYHYFMVCF-UHFFFAOYSA-N 2 1 368.521 3.435 20 0 FGADMP O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC000151384221 495822629 /nfs/dbraw/zinc/82/26/29/495822629.db2.gz QSVZVLLUORZBCJ-LJQANCHMSA-N 2 1 368.481 3.412 20 0 FGADMP O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000151384221 495822636 /nfs/dbraw/zinc/82/26/36/495822636.db2.gz QSVZVLLUORZBCJ-LJQANCHMSA-N 2 1 368.481 3.412 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)cc1 ZINC000183135845 495849370 /nfs/dbraw/zinc/84/93/70/495849370.db2.gz MXXTZJURBLMPSK-KRWDZBQOSA-N 2 1 374.488 3.416 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000180198086 495902237 /nfs/dbraw/zinc/90/22/37/495902237.db2.gz LESCQYBXQRKXJK-GIVPXCGWSA-N 2 1 355.526 3.203 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000180198086 495902243 /nfs/dbraw/zinc/90/22/43/495902243.db2.gz LESCQYBXQRKXJK-GIVPXCGWSA-N 2 1 355.526 3.203 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000180198086 495902248 /nfs/dbraw/zinc/90/22/48/495902248.db2.gz LESCQYBXQRKXJK-GIVPXCGWSA-N 2 1 355.526 3.203 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000180201316 495903661 /nfs/dbraw/zinc/90/36/61/495903661.db2.gz HLVRCDYJWVQJQF-VXKWHMMOSA-N 2 1 363.505 3.458 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060804 495906155 /nfs/dbraw/zinc/90/61/55/495906155.db2.gz NELHAWVUPSXVPB-PDWMJMLSSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060804 495906159 /nfs/dbraw/zinc/90/61/59/495906159.db2.gz NELHAWVUPSXVPB-PDWMJMLSSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060804 495906162 /nfs/dbraw/zinc/90/61/62/495906162.db2.gz NELHAWVUPSXVPB-PDWMJMLSSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060804 495906164 /nfs/dbraw/zinc/90/61/64/495906164.db2.gz NELHAWVUPSXVPB-PDWMJMLSSA-N 2 1 354.922 3.193 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)n1 ZINC000151893030 495984191 /nfs/dbraw/zinc/98/41/91/495984191.db2.gz AWUNYDMIWHHNOA-VGOFRKELSA-N 2 1 367.541 3.123 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1CC2(CCC2)C1 ZINC000571804715 505817127 /nfs/dbraw/zinc/81/71/27/505817127.db2.gz HVTOHAMBUZWDSL-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000155793722 496069952 /nfs/dbraw/zinc/06/99/52/496069952.db2.gz ICWJHIGONHYBMV-LBPRGKRZSA-N 2 1 364.287 3.315 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000177559969 496112269 /nfs/dbraw/zinc/11/22/69/496112269.db2.gz TZGVYWSMPRBWOK-MISYRCLQSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152365447 496128351 /nfs/dbraw/zinc/12/83/51/496128351.db2.gz VXUSMXZXWAEDBQ-RDJZCZTQSA-N 2 1 363.933 3.151 20 0 FGADMP O=C(NCc1ccccc1-n1ccnc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177693001 496160954 /nfs/dbraw/zinc/16/09/54/496160954.db2.gz JXCCVACHCHWOHB-GOSISDBHSA-N 2 1 352.482 3.143 20 0 FGADMP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000152502243 496171299 /nfs/dbraw/zinc/17/12/99/496171299.db2.gz QZEIAVZXWDWHOD-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000152502243 496171302 /nfs/dbraw/zinc/17/13/02/496171302.db2.gz QZEIAVZXWDWHOD-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000152502243 496171306 /nfs/dbraw/zinc/17/13/06/496171306.db2.gz QZEIAVZXWDWHOD-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4c3cnn4C)CC2)cs1 ZINC000161796625 496239010 /nfs/dbraw/zinc/23/90/10/496239010.db2.gz JINSADQHJQUTBD-SFHVURJKSA-N 2 1 373.570 3.318 20 0 FGADMP CCC[N@H+](CCCc1c[nH+]cn1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000580782119 505837327 /nfs/dbraw/zinc/83/73/27/505837327.db2.gz VRHKQEQOJVWTJI-UHFFFAOYSA-N 2 1 368.525 3.370 20 0 FGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000580782119 505837329 /nfs/dbraw/zinc/83/73/29/505837329.db2.gz VRHKQEQOJVWTJI-UHFFFAOYSA-N 2 1 368.525 3.370 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172542543 496336164 /nfs/dbraw/zinc/33/61/64/496336164.db2.gz HQVZQXCZISVYLE-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172542543 496336168 /nfs/dbraw/zinc/33/61/68/496336168.db2.gz HQVZQXCZISVYLE-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172542543 496336171 /nfs/dbraw/zinc/33/61/71/496336171.db2.gz HQVZQXCZISVYLE-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C2CC(OC(C)(C)C)C2)CC1)Cc1ccccc1 ZINC000580796433 505840071 /nfs/dbraw/zinc/84/00/71/505840071.db2.gz NCPFXJXCEIUZND-UHFFFAOYSA-N 2 1 359.558 3.082 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157055234 496395158 /nfs/dbraw/zinc/39/51/58/496395158.db2.gz RACRKCUZGZWPCF-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157055234 496395163 /nfs/dbraw/zinc/39/51/63/496395163.db2.gz RACRKCUZGZWPCF-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055234 496395164 /nfs/dbraw/zinc/39/51/64/496395164.db2.gz RACRKCUZGZWPCF-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055234 496395169 /nfs/dbraw/zinc/39/51/69/496395169.db2.gz RACRKCUZGZWPCF-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP COc1ccc2nc(C[N@@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000187368186 496413773 /nfs/dbraw/zinc/41/37/73/496413773.db2.gz BEAOKPOCQCLBGQ-CQSZACIVSA-N 2 1 356.495 3.493 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCC[C@H](Cc4[nH+]ccn4C)C3)sc2c1 ZINC000187368186 496413777 /nfs/dbraw/zinc/41/37/77/496413777.db2.gz BEAOKPOCQCLBGQ-CQSZACIVSA-N 2 1 356.495 3.493 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000162866102 496425453 /nfs/dbraw/zinc/42/54/53/496425453.db2.gz LQFJNPFVCAEPSH-XMSQKQJNSA-N 2 1 364.537 3.464 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000162866102 496425456 /nfs/dbraw/zinc/42/54/56/496425456.db2.gz LQFJNPFVCAEPSH-XMSQKQJNSA-N 2 1 364.537 3.464 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175607310 496462028 /nfs/dbraw/zinc/46/20/28/496462028.db2.gz WJVFJOCDFVIKAG-HDICACEKSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000157456756 496480520 /nfs/dbraw/zinc/48/05/20/496480520.db2.gz WOEIXVLNMRREFE-IBGZPJMESA-N 2 1 374.573 3.400 20 0 FGADMP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662537 496491657 /nfs/dbraw/zinc/49/16/57/496491657.db2.gz DCFQTWXKEBKXHX-QZTJIDSGSA-N 2 1 373.541 3.010 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157644827 496521556 /nfs/dbraw/zinc/52/15/56/496521556.db2.gz HCOZWWHFXSNNHL-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000157698371 496533322 /nfs/dbraw/zinc/53/33/22/496533322.db2.gz MZQIGSBPSCXXRF-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000157766246 496549716 /nfs/dbraw/zinc/54/97/16/496549716.db2.gz DXLDIWINAHGDRI-UWJYYQICSA-N 2 1 366.509 3.390 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000569095511 505851776 /nfs/dbraw/zinc/85/17/76/505851776.db2.gz RNMQRLNQESPGCA-NQIIRXRSSA-N 2 1 354.494 3.242 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C12CCCC2 ZINC000181947802 496609319 /nfs/dbraw/zinc/60/93/19/496609319.db2.gz AHRSCKXYXKANKT-RTBURBONSA-N 2 1 350.547 3.349 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000574787379 505855441 /nfs/dbraw/zinc/85/54/41/505855441.db2.gz AJNDMITYUFCCDT-APWZRJJASA-N 2 1 374.554 3.171 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574786827 505855673 /nfs/dbraw/zinc/85/56/73/505855673.db2.gz BCMHQSJEFGCLSG-IERDGZPVSA-N 2 1 367.497 3.027 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC1CC[NH2+]CC1 ZINC000178955448 496628236 /nfs/dbraw/zinc/62/82/36/496628236.db2.gz OPPWCUZCRJGOTI-UHFFFAOYSA-N 2 1 363.811 3.229 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1F ZINC000182012984 496634782 /nfs/dbraw/zinc/63/47/82/496634782.db2.gz IPISCWHUMHDPNL-IFXJQAMLSA-N 2 1 361.436 3.035 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC000182033825 496642903 /nfs/dbraw/zinc/64/29/03/496642903.db2.gz HAJCONDTDOCWIR-CQSZACIVSA-N 2 1 361.873 3.315 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000173420273 496684739 /nfs/dbraw/zinc/68/47/39/496684739.db2.gz RDIKAWWXRGUYSO-AOIWGVFYSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166444777 496686930 /nfs/dbraw/zinc/68/69/30/496686930.db2.gz AMLNBXHDIKTKSJ-FBBABVLZSA-N 2 1 370.541 3.220 20 0 FGADMP Brc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166481563 496688397 /nfs/dbraw/zinc/68/83/97/496688397.db2.gz FKZLFSGRAOKMEU-SOLBZPMBSA-N 2 1 364.331 3.244 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388849 496691491 /nfs/dbraw/zinc/69/14/91/496691491.db2.gz JIMHTPSFMVLGGK-SQWLQELKSA-N 2 1 367.921 3.304 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166768144 496692381 /nfs/dbraw/zinc/69/23/81/496692381.db2.gz QRADJZPRUZVCJG-LSDHHAIUSA-N 2 1 365.905 3.202 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000179214629 496713740 /nfs/dbraw/zinc/71/37/40/496713740.db2.gz JEVYKSLEEOYFHE-QGZVFWFLSA-N 2 1 353.304 3.137 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000182252963 496720504 /nfs/dbraw/zinc/72/05/04/496720504.db2.gz FFPPJENXBFMHGQ-RTWAWAEBSA-N 2 1 372.557 3.154 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000179248055 496720525 /nfs/dbraw/zinc/72/05/25/496720525.db2.gz VDXRYOPCOXFFSY-UHFFFAOYSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](C)C[C@H](C)N1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179252192 496721104 /nfs/dbraw/zinc/72/11/04/496721104.db2.gz FTLHDMJOXUNGSX-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CCC[NH+](C)C ZINC000185319653 496728651 /nfs/dbraw/zinc/72/86/51/496728651.db2.gz MJEAOTQUMPBRES-SFHVURJKSA-N 2 1 360.546 3.154 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182315384 496729367 /nfs/dbraw/zinc/72/93/67/496729367.db2.gz JMAGTROZTJCCEY-BGYRXZFFSA-N 2 1 360.542 3.415 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246975931 496740478 /nfs/dbraw/zinc/74/04/78/496740478.db2.gz VQLCFCBNPFTUAB-DQLDELGASA-N 2 1 371.525 3.361 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccccc2OC(F)(F)F)CC1 ZINC000191397633 496748691 /nfs/dbraw/zinc/74/86/91/496748691.db2.gz FGUOBDZWYYFZGY-UHFFFAOYSA-N 2 1 373.463 3.433 20 0 FGADMP COc1cccc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000191438856 496762330 /nfs/dbraw/zinc/76/23/30/496762330.db2.gz LGTZMKWTJICERB-UHFFFAOYSA-N 2 1 354.498 3.480 20 0 FGADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000194957052 496774066 /nfs/dbraw/zinc/77/40/66/496774066.db2.gz NMFIGQMFXOCXHU-UGKGYDQZSA-N 2 1 366.505 3.429 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1nnc(-c2ccccc2OC)o1 ZINC000191473401 496774411 /nfs/dbraw/zinc/77/44/11/496774411.db2.gz RMYDDOPSQDGTRH-UHFFFAOYSA-N 2 1 369.469 3.416 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782522 496783693 /nfs/dbraw/zinc/78/36/93/496783693.db2.gz UNHOCCAWRWDCBU-OXQOHEQNSA-N 2 1 352.482 3.177 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000191504997 496788236 /nfs/dbraw/zinc/78/82/36/496788236.db2.gz RMUJYDYPZKVEMP-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000191504997 496788241 /nfs/dbraw/zinc/78/82/41/496788241.db2.gz RMUJYDYPZKVEMP-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+]C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000268829739 496797932 /nfs/dbraw/zinc/79/79/32/496797932.db2.gz RWIHQHYLCCBQQR-NRFANRHFSA-N 2 1 357.542 3.245 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268849715 496802813 /nfs/dbraw/zinc/80/28/13/496802813.db2.gz BJLABLFJRDNHFD-BVOGOJNSSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268849715 496802817 /nfs/dbraw/zinc/80/28/17/496802817.db2.gz BJLABLFJRDNHFD-BVOGOJNSSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268849719 496803425 /nfs/dbraw/zinc/80/34/25/496803425.db2.gz BJLABLFJRDNHFD-GFOJFJKKSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268849719 496803428 /nfs/dbraw/zinc/80/34/28/496803428.db2.gz BJLABLFJRDNHFD-GFOJFJKKSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268865108 496808550 /nfs/dbraw/zinc/80/85/50/496808550.db2.gz ZWROQQQBAYMGAJ-HTAPYJJXSA-N 2 1 363.505 3.097 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000191568872 496815927 /nfs/dbraw/zinc/81/59/27/496815927.db2.gz QWTIZIAMRXEPLD-KRWDZBQOSA-N 2 1 364.509 3.391 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000191568872 496815930 /nfs/dbraw/zinc/81/59/30/496815930.db2.gz QWTIZIAMRXEPLD-KRWDZBQOSA-N 2 1 364.509 3.391 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000574850099 505867985 /nfs/dbraw/zinc/86/79/85/505867985.db2.gz HBDAZBRCWQTNTA-NHCUHLMSSA-N 2 1 357.542 3.087 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000247402449 496852529 /nfs/dbraw/zinc/85/25/29/496852529.db2.gz XMJLPUOTAWLATB-MSOLQXFVSA-N 2 1 360.546 3.099 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247428780 496856973 /nfs/dbraw/zinc/85/69/73/496856973.db2.gz VXNKCEYNMOPAOS-VQTJNVASSA-N 2 1 364.578 3.158 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981305 496938233 /nfs/dbraw/zinc/93/82/33/496938233.db2.gz IJROFDQZWVHDDC-SUMWQHHRSA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981305 496938237 /nfs/dbraw/zinc/93/82/37/496938237.db2.gz IJROFDQZWVHDDC-SUMWQHHRSA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981305 496938243 /nfs/dbraw/zinc/93/82/43/496938243.db2.gz IJROFDQZWVHDDC-SUMWQHHRSA-N 2 1 353.869 3.224 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000580950624 505875186 /nfs/dbraw/zinc/87/51/86/505875186.db2.gz XKYZIQPARRXJFG-HXOBKFHXSA-N 2 1 374.488 3.289 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000248074720 496952692 /nfs/dbraw/zinc/95/26/92/496952692.db2.gz QXKCZTLTOSSMTP-HKBOAZHASA-N 2 1 370.541 3.092 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999033 /nfs/dbraw/zinc/99/90/33/496999033.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[N@@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999037 /nfs/dbraw/zinc/99/90/37/496999037.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[N@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999038 /nfs/dbraw/zinc/99/90/38/496999038.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999045 /nfs/dbraw/zinc/99/90/45/496999045.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999049 /nfs/dbraw/zinc/99/90/49/496999049.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[N@@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999053 /nfs/dbraw/zinc/99/90/53/496999053.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[N@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000248408781 496999057 /nfs/dbraw/zinc/99/90/57/496999057.db2.gz VWQRCBDBJJCKRV-SKWRMQMOSA-N 2 1 353.554 3.361 20 0 FGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248409240 497001460 /nfs/dbraw/zinc/00/14/60/497001460.db2.gz FVVMZCTVRZRYIV-ZOGZYCIHSA-N 2 1 366.553 3.468 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H](O)Cc1ccccc1 ZINC000248418789 497004738 /nfs/dbraw/zinc/00/47/38/497004738.db2.gz TZHZAYOXYRPJRU-GPDNFFQDSA-N 2 1 364.533 3.479 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C12CCC2 ZINC000248430994 497009283 /nfs/dbraw/zinc/00/92/83/497009283.db2.gz BYJSDVYKYWOMKV-PCCBWWKXSA-N 2 1 358.526 3.081 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000248458465 497018613 /nfs/dbraw/zinc/01/86/13/497018613.db2.gz USIUJNQYVQCUAA-UWJYYQICSA-N 2 1 356.514 3.272 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000248545429 497035725 /nfs/dbraw/zinc/03/57/25/497035725.db2.gz DJJKHNLVOKDSNE-ROUUACIJSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000248545429 497035726 /nfs/dbraw/zinc/03/57/26/497035726.db2.gz DJJKHNLVOKDSNE-ROUUACIJSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248584268 497048676 /nfs/dbraw/zinc/04/86/76/497048676.db2.gz PMHBHDDFSJMMFT-XYJFISCASA-N 2 1 366.933 3.322 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248589935 497049972 /nfs/dbraw/zinc/04/99/72/497049972.db2.gz ZAOOYBFBWIMFTH-WBADGQHESA-N 2 1 350.506 3.090 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000574914798 505882656 /nfs/dbraw/zinc/88/26/56/505882656.db2.gz KTMMMBSAHNHAHB-LJQANCHMSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@@H+]1Cc1ccccc1 ZINC000274389324 497085451 /nfs/dbraw/zinc/08/54/51/497085451.db2.gz OAWKWUMUDOAJGL-AEFFLSMTSA-N 2 1 356.539 3.174 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@H+]1Cc1ccccc1 ZINC000274389324 497085454 /nfs/dbraw/zinc/08/54/54/497085454.db2.gz OAWKWUMUDOAJGL-AEFFLSMTSA-N 2 1 356.539 3.174 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]2CCCO[C@H]21 ZINC000248835235 497113989 /nfs/dbraw/zinc/11/39/89/497113989.db2.gz NDPBQSUUJISSPS-XRXFAXGQSA-N 2 1 358.526 3.071 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]2CCCO[C@H]21 ZINC000248835235 497113994 /nfs/dbraw/zinc/11/39/94/497113994.db2.gz NDPBQSUUJISSPS-XRXFAXGQSA-N 2 1 358.526 3.071 20 0 FGADMP Cc1ccc(NCCCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)[nH+]c1 ZINC000265655834 497155727 /nfs/dbraw/zinc/15/57/27/497155727.db2.gz YORYYKUEZDXEAU-UHFFFAOYSA-N 2 1 366.509 3.220 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000236859533 497158341 /nfs/dbraw/zinc/15/83/41/497158341.db2.gz WNBFGZMFYDORHW-CYBMUJFWSA-N 2 1 357.420 3.496 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000265704778 497164395 /nfs/dbraw/zinc/16/43/95/497164395.db2.gz AKLCGSKPTKZZNO-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000236961622 497173089 /nfs/dbraw/zinc/17/30/89/497173089.db2.gz WMNUGIDHBFTEEG-CXAGYDPISA-N 2 1 371.447 3.159 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)CO[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000249286499 497187544 /nfs/dbraw/zinc/18/75/44/497187544.db2.gz OMUZSQKTERXZIM-KCZVDYSFSA-N 2 1 359.558 3.253 20 0 FGADMP Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278685887 497189657 /nfs/dbraw/zinc/18/96/57/497189657.db2.gz RYWKSRJNBJCQSZ-RTWAWAEBSA-N 2 1 368.525 3.455 20 0 FGADMP Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278685887 497189660 /nfs/dbraw/zinc/18/96/60/497189660.db2.gz RYWKSRJNBJCQSZ-RTWAWAEBSA-N 2 1 368.525 3.455 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000249301420 497190401 /nfs/dbraw/zinc/19/04/01/497190401.db2.gz NPWWMEZTFYWNIN-OEWRPIJISA-N 2 1 357.542 3.182 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000192746354 497202452 /nfs/dbraw/zinc/20/24/52/497202452.db2.gz DTQRJRABYPYYNW-GHTZIAJQSA-N 2 1 363.521 3.004 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000192746354 497202457 /nfs/dbraw/zinc/20/24/57/497202457.db2.gz DTQRJRABYPYYNW-GHTZIAJQSA-N 2 1 363.521 3.004 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237524101 497249973 /nfs/dbraw/zinc/24/99/73/497249973.db2.gz JTIBEDAVCPXWLU-SFHVURJKSA-N 2 1 357.542 3.457 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000250652483 497269252 /nfs/dbraw/zinc/26/92/52/497269252.db2.gz RFTPKPBETZRLOU-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237671718 497273914 /nfs/dbraw/zinc/27/39/14/497273914.db2.gz FEOMGBFDJQOGCJ-UWJYYQICSA-N 2 1 351.494 3.235 20 0 FGADMP [NH3+][C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237859569 497304000 /nfs/dbraw/zinc/30/40/00/497304000.db2.gz JMYVXIDRLQATOM-VQIMIIECSA-N 2 1 357.523 3.166 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000279142901 497347589 /nfs/dbraw/zinc/34/75/89/497347589.db2.gz SAXFQLWGSBNCLB-PCCBWWKXSA-N 2 1 364.493 3.040 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444280 497351229 /nfs/dbraw/zinc/35/12/29/497351229.db2.gz CSYMODACVFMGMF-VAMGGRTRSA-N 2 1 356.510 3.400 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000245392769 497383159 /nfs/dbraw/zinc/38/31/59/497383159.db2.gz URKLHCNEROXYHH-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245450952 497414130 /nfs/dbraw/zinc/41/41/30/497414130.db2.gz PBGIHKHRNBQCLJ-CVEARBPZSA-N 2 1 351.922 3.133 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275725321 497414823 /nfs/dbraw/zinc/41/48/23/497414823.db2.gz WOINCEDMPZZKEX-HXUWFJFHSA-N 2 1 366.509 3.187 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261893775 497469944 /nfs/dbraw/zinc/46/99/44/497469944.db2.gz CNSCVAMSUQNALV-FXAWDEMLSA-N 2 1 355.526 3.067 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106640 497486803 /nfs/dbraw/zinc/48/68/03/497486803.db2.gz WHEOTXKABBVVQB-WMLDXEAASA-N 2 1 355.320 3.146 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106640 497486805 /nfs/dbraw/zinc/48/68/05/497486805.db2.gz WHEOTXKABBVVQB-WMLDXEAASA-N 2 1 355.320 3.146 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106640 497486809 /nfs/dbraw/zinc/48/68/09/497486809.db2.gz WHEOTXKABBVVQB-WMLDXEAASA-N 2 1 355.320 3.146 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106640 497486813 /nfs/dbraw/zinc/48/68/13/497486813.db2.gz WHEOTXKABBVVQB-WMLDXEAASA-N 2 1 355.320 3.146 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000262007412 497491571 /nfs/dbraw/zinc/49/15/71/497491571.db2.gz QKBCRTDMZJQESV-OAQYLSRUSA-N 2 1 367.468 3.208 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000578304803 505910687 /nfs/dbraw/zinc/91/06/87/505910687.db2.gz QTMUYNBIQZCANG-UHFFFAOYSA-N 2 1 366.509 3.364 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000272150348 497549153 /nfs/dbraw/zinc/54/91/53/497549153.db2.gz ZZNQGLXPLPOLKH-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272150348 497549157 /nfs/dbraw/zinc/54/91/57/497549157.db2.gz ZZNQGLXPLPOLKH-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272150348 497549163 /nfs/dbraw/zinc/54/91/63/497549163.db2.gz ZZNQGLXPLPOLKH-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245894260 497563405 /nfs/dbraw/zinc/56/34/05/497563405.db2.gz CUHLVYAZQNQREL-VQTJNVASSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000262677350 497597700 /nfs/dbraw/zinc/59/77/00/497597700.db2.gz UNQGDWOERATGLM-UWJYYQICSA-N 2 1 365.521 3.276 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000262683457 497599811 /nfs/dbraw/zinc/59/98/11/497599811.db2.gz WYGAVGLQWMTUSO-NHCUHLMSSA-N 2 1 351.494 3.257 20 0 FGADMP COc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1C ZINC000194211829 497603417 /nfs/dbraw/zinc/60/34/17/497603417.db2.gz MMUWODZFBOKNRV-UHFFFAOYSA-N 2 1 353.510 3.041 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194216648 497604884 /nfs/dbraw/zinc/60/48/84/497604884.db2.gz CMIDOWLAPQYLBN-UHFFFAOYSA-N 2 1 367.537 3.431 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC000569363928 505917511 /nfs/dbraw/zinc/91/75/11/505917511.db2.gz RDTCNXDKYOLVCU-MAODMQOUSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC000569363928 505917514 /nfs/dbraw/zinc/91/75/14/505917514.db2.gz RDTCNXDKYOLVCU-MAODMQOUSA-N 2 1 365.477 3.477 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289204 497624963 /nfs/dbraw/zinc/62/49/63/497624963.db2.gz PDCYPXPVUCKARV-GOSISDBHSA-N 2 1 357.502 3.048 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272532331 497654151 /nfs/dbraw/zinc/65/41/51/497654151.db2.gz OXZDRZCCSABTGM-AZUAARDMSA-N 2 1 372.557 3.069 20 0 FGADMP COc1coc(C[NH+]2CCC(n3c(C)nc4ccccc43)CC2)cc1=O ZINC000280220035 497684988 /nfs/dbraw/zinc/68/49/88/497684988.db2.gz LDVKDFZDMJEJNB-UHFFFAOYSA-N 2 1 353.422 3.144 20 0 FGADMP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000268144585 497686670 /nfs/dbraw/zinc/68/66/70/497686670.db2.gz QLYRXNKTUQVXHP-SOLBZPMBSA-N 2 1 364.331 3.244 20 0 FGADMP CC(C)Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581162975 505923806 /nfs/dbraw/zinc/92/38/06/505923806.db2.gz HXSXUTGORYJMAT-YYWHXJBOSA-N 2 1 359.558 3.334 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246369145 497709146 /nfs/dbraw/zinc/70/91/46/497709146.db2.gz HFDXRQWAJZELAB-BZSNNMDCSA-N 2 1 364.534 3.034 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000272726796 497713011 /nfs/dbraw/zinc/71/30/11/497713011.db2.gz OFNFKDMDPKHDBO-GHTZIAJQSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000272726796 497713015 /nfs/dbraw/zinc/71/30/15/497713015.db2.gz OFNFKDMDPKHDBO-GHTZIAJQSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272724516 497713421 /nfs/dbraw/zinc/71/34/21/497713421.db2.gz FYFJLKKTGXWGRQ-GOEBONIOSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272724516 497713425 /nfs/dbraw/zinc/71/34/25/497713425.db2.gz FYFJLKKTGXWGRQ-GOEBONIOSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000263169129 497722878 /nfs/dbraw/zinc/72/28/78/497722878.db2.gz FNADFPMSFNJZKX-KRWDZBQOSA-N 2 1 359.514 3.126 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263173540 497723752 /nfs/dbraw/zinc/72/37/52/497723752.db2.gz GAOHCAHYCPELCV-JWUVWSEFSA-N 2 1 357.542 3.406 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246444621 497735779 /nfs/dbraw/zinc/73/57/79/497735779.db2.gz OUAQAIAZYQUKQE-KCZVDYSFSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246500475 497754547 /nfs/dbraw/zinc/75/45/47/497754547.db2.gz TZELNWWDHFQUAI-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000246509057 497757960 /nfs/dbraw/zinc/75/79/60/497757960.db2.gz TZGVYWSMPRBWOK-YSIASYRMSA-N 2 1 361.505 3.027 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000246508325 497757970 /nfs/dbraw/zinc/75/79/70/497757970.db2.gz TYKJOGXDPAKYLF-WMZOPIPTSA-N 2 1 354.922 3.445 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000246512592 497759159 /nfs/dbraw/zinc/75/91/59/497759159.db2.gz INKQQJSJXVOLSY-OAHAVBBTSA-N 2 1 364.578 3.011 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)[C@@H](C)C1 ZINC000246522018 497762482 /nfs/dbraw/zinc/76/24/82/497762482.db2.gz URFLCNSNSZFDFA-VPWXQRGCSA-N 2 1 373.545 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)[C@@H](C)C1 ZINC000246522018 497762485 /nfs/dbraw/zinc/76/24/85/497762485.db2.gz URFLCNSNSZFDFA-VPWXQRGCSA-N 2 1 373.545 3.134 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000246849573 497816232 /nfs/dbraw/zinc/81/62/32/497816232.db2.gz BKBYWWBPYUHEEX-SFHVURJKSA-N 2 1 371.447 3.190 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000246867184 497817642 /nfs/dbraw/zinc/81/76/42/497817642.db2.gz HCIRGHFFAGRKNX-SIKLNZKXSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900632 497819364 /nfs/dbraw/zinc/81/93/64/497819364.db2.gz FVNMYRJWFJZMAX-IAGOWNOFSA-N 2 1 352.544 3.395 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000581215174 505935218 /nfs/dbraw/zinc/93/52/18/505935218.db2.gz QTSAVYHOEDZGLC-UHFFFAOYSA-N 2 1 363.889 3.364 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000578439455 505939851 /nfs/dbraw/zinc/93/98/51/505939851.db2.gz BKXZTYCUQPISOZ-AWEZNQCLSA-N 2 1 371.447 3.174 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292182948 497913021 /nfs/dbraw/zinc/91/30/21/497913021.db2.gz OQHONDCBOFCBKM-JRGCBEDISA-N 2 1 364.505 3.120 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363443 497921012 /nfs/dbraw/zinc/92/10/12/497921012.db2.gz MCRCEFMGSIPKQX-CRAIPNDOSA-N 2 1 368.518 3.146 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC(c2ncc[nH]2)CC1 ZINC000329857045 497929863 /nfs/dbraw/zinc/92/98/63/497929863.db2.gz YTZGEOWZIQIFQN-INIZCTEOSA-N 2 1 358.511 3.187 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCc4ccc(O)cc43)CC2)nc(C)[nH+]1 ZINC000281107037 498022091 /nfs/dbraw/zinc/02/20/91/498022091.db2.gz WKSGJDCYRUOELC-HXUWFJFHSA-N 2 1 352.482 3.435 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281162027 498038805 /nfs/dbraw/zinc/03/88/05/498038805.db2.gz HFYKCTIQPLCEQC-QFIPXVFZSA-N 2 1 368.500 3.209 20 0 FGADMP CSC1(C[NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CC1 ZINC000289213011 498063794 /nfs/dbraw/zinc/06/37/94/498063794.db2.gz ITAKXODEWQMMFE-UHFFFAOYSA-N 2 1 364.555 3.161 20 0 FGADMP Clc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000569605566 505974415 /nfs/dbraw/zinc/97/44/15/505974415.db2.gz MWTRJKNCVOUTNO-VNQPRFMTSA-N 2 1 373.722 3.349 20 0 FGADMP C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285458168 498091467 /nfs/dbraw/zinc/09/14/67/498091467.db2.gz ZUQJYIYAXRBQBF-RBKXMNCYSA-N 2 1 372.601 3.045 20 0 FGADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285458168 498091460 /nfs/dbraw/zinc/09/14/60/498091460.db2.gz ZUQJYIYAXRBQBF-RBKXMNCYSA-N 3 1 372.601 3.045 20 0 FGADMP C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285458168 498091474 /nfs/dbraw/zinc/09/14/74/498091474.db2.gz ZUQJYIYAXRBQBF-RBKXMNCYSA-N 2 1 372.601 3.045 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000569620040 505977739 /nfs/dbraw/zinc/97/77/39/505977739.db2.gz XVJXNKUBLISHGP-HXUWFJFHSA-N 2 1 356.514 3.063 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CN(c2ccccc2)CCO1 ZINC000569620040 505977741 /nfs/dbraw/zinc/97/77/41/505977741.db2.gz XVJXNKUBLISHGP-HXUWFJFHSA-N 2 1 356.514 3.063 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1 ZINC000285514790 498112746 /nfs/dbraw/zinc/11/27/46/498112746.db2.gz DOAPKRNAVRHZMW-UHFFFAOYSA-N 2 1 351.494 3.318 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000296617419 498123209 /nfs/dbraw/zinc/12/32/09/498123209.db2.gz ZNTARIDAVWLIMF-INIZCTEOSA-N 2 1 371.294 3.012 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578627867 505984951 /nfs/dbraw/zinc/98/49/51/505984951.db2.gz HJNRCUDGLQNGBX-KURKYZTESA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578627867 505984952 /nfs/dbraw/zinc/98/49/52/505984952.db2.gz HJNRCUDGLQNGBX-KURKYZTESA-N 2 1 367.896 3.261 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000578637567 505986971 /nfs/dbraw/zinc/98/69/71/505986971.db2.gz YNTABDPHYAPAQY-SFHVURJKSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000281437486 498151133 /nfs/dbraw/zinc/15/11/33/498151133.db2.gz RLEVYAMNFMAHQA-SFHVURJKSA-N 2 1 374.529 3.029 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000581486995 505999764 /nfs/dbraw/zinc/99/97/64/505999764.db2.gz NLSHIPYFSPCCSZ-RXVVDRJESA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000581486995 505999769 /nfs/dbraw/zinc/99/97/69/505999769.db2.gz NLSHIPYFSPCCSZ-RXVVDRJESA-N 2 1 351.494 3.118 20 0 FGADMP COc1cccc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)c1 ZINC000581492191 506000776 /nfs/dbraw/zinc/00/07/76/506000776.db2.gz XFEJWTWYNYHDJL-MOPGFXCFSA-N 2 1 373.522 3.147 20 0 FGADMP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nc(C(C)C)n1 ZINC000301723153 498239597 /nfs/dbraw/zinc/23/95/97/498239597.db2.gz OBCLJPPGBZYGDR-MOPGFXCFSA-N 2 1 354.498 3.203 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000575803052 506008406 /nfs/dbraw/zinc/00/84/06/506008406.db2.gz ATPFVVFNCJADCX-DAXOMENPSA-N 2 1 355.404 3.093 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@H+]1C ZINC000289763527 498282412 /nfs/dbraw/zinc/28/24/12/498282412.db2.gz LTLPJZYFRPAZDL-WFASDCNBSA-N 2 1 368.403 3.414 20 0 FGADMP C[C@H]1C[C@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169930 498292541 /nfs/dbraw/zinc/29/25/41/498292541.db2.gz WCQLQFOQHRCSFT-IOMROCGXSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169930 498292550 /nfs/dbraw/zinc/29/25/50/498292550.db2.gz WCQLQFOQHRCSFT-IOMROCGXSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169930 498292553 /nfs/dbraw/zinc/29/25/53/498292553.db2.gz WCQLQFOQHRCSFT-IOMROCGXSA-N 2 1 351.494 3.246 20 0 FGADMP CC(C)Cn1ncnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360675794 498297651 /nfs/dbraw/zinc/29/76/51/498297651.db2.gz XPDOIOPKYUYHJR-UHFFFAOYSA-N 2 1 367.541 3.422 20 0 FGADMP CC(C)Cn1ncnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000360675794 498297658 /nfs/dbraw/zinc/29/76/58/498297658.db2.gz XPDOIOPKYUYHJR-UHFFFAOYSA-N 2 1 367.541 3.422 20 0 FGADMP CCOc1ccc(CN(CCCn2ccnc2)Cc2cc(C)ncn2)cc1 ZINC000293228260 498313031 /nfs/dbraw/zinc/31/30/31/498313031.db2.gz QHJVAOBNWCBWRD-UHFFFAOYSA-N 2 1 365.481 3.473 20 0 FGADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)oc1C ZINC000282034482 498365754 /nfs/dbraw/zinc/36/57/54/498365754.db2.gz LAVJPPMAJCHHCU-OAHLLOKOSA-N 2 1 357.454 3.287 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803235 506024005 /nfs/dbraw/zinc/02/40/05/506024005.db2.gz OPDKMXJHBSLZHD-IBGZPJMESA-N 3 1 358.574 3.037 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803235 506024008 /nfs/dbraw/zinc/02/40/08/506024008.db2.gz OPDKMXJHBSLZHD-IBGZPJMESA-N 2 1 358.574 3.037 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803235 506024011 /nfs/dbraw/zinc/02/40/11/506024011.db2.gz OPDKMXJHBSLZHD-IBGZPJMESA-N 2 1 358.574 3.037 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000581597466 506024562 /nfs/dbraw/zinc/02/45/62/506024562.db2.gz UCCCFVLHUOJGMA-CWPOXOTNSA-N 2 1 367.497 3.166 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CCC[NH+](C)Cc1ccncc1)c1ccccc1 ZINC000569827273 506026005 /nfs/dbraw/zinc/02/60/05/506026005.db2.gz FYUZGDIUBIKASP-NRFANRHFSA-N 2 1 368.525 3.055 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454366 498391168 /nfs/dbraw/zinc/39/11/68/498391168.db2.gz PRAOQOVVRBTMOI-GOSISDBHSA-N 2 1 365.521 3.487 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454366 498391177 /nfs/dbraw/zinc/39/11/77/498391177.db2.gz PRAOQOVVRBTMOI-GOSISDBHSA-N 2 1 365.521 3.487 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000581602947 506026280 /nfs/dbraw/zinc/02/62/80/506026280.db2.gz BYQYBWAALOSRID-CQSZACIVSA-N 2 1 372.296 3.308 20 0 FGADMP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730579 498423528 /nfs/dbraw/zinc/42/35/28/498423528.db2.gz YMYJKHVFOZLKNP-UYAOXDASSA-N 2 1 357.542 3.041 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000365393280 498441544 /nfs/dbraw/zinc/44/15/44/498441544.db2.gz QHSHZYVNPRKMCE-BGSOWLKRSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365393280 498441547 /nfs/dbraw/zinc/44/15/47/498441547.db2.gz QHSHZYVNPRKMCE-BGSOWLKRSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000365393280 498441552 /nfs/dbraw/zinc/44/15/52/498441552.db2.gz QHSHZYVNPRKMCE-BGSOWLKRSA-N 2 1 364.574 3.257 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290183233 498455235 /nfs/dbraw/zinc/45/52/35/498455235.db2.gz FLRDRBLMHXJJAP-DLBZAZTESA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290183233 498455238 /nfs/dbraw/zinc/45/52/38/498455238.db2.gz FLRDRBLMHXJJAP-DLBZAZTESA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290183233 498455241 /nfs/dbraw/zinc/45/52/41/498455241.db2.gz FLRDRBLMHXJJAP-DLBZAZTESA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290183233 498455245 /nfs/dbraw/zinc/45/52/45/498455245.db2.gz FLRDRBLMHXJJAP-DLBZAZTESA-N 2 1 350.503 3.277 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000569889438 506038961 /nfs/dbraw/zinc/03/89/61/506038961.db2.gz SNPIPEIKAUVNRD-UHFFFAOYSA-N 2 1 374.448 3.300 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000293757344 498479002 /nfs/dbraw/zinc/47/90/02/498479002.db2.gz YQSIWABUYBUCCX-LPHOPBHVSA-N 2 1 365.477 3.160 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000293757344 498479012 /nfs/dbraw/zinc/47/90/12/498479012.db2.gz YQSIWABUYBUCCX-LPHOPBHVSA-N 2 1 365.477 3.160 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000578867787 506040876 /nfs/dbraw/zinc/04/08/76/506040876.db2.gz CDKXFMSHIMKGBM-CYBMUJFWSA-N 2 1 369.303 3.171 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000572739114 506041032 /nfs/dbraw/zinc/04/10/32/506041032.db2.gz RXZUHZCKMJRUTB-GOSISDBHSA-N 2 1 360.546 3.106 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293766389 498481318 /nfs/dbraw/zinc/48/13/18/498481318.db2.gz KLCAJXAMJFMTDF-KXBFYZLASA-N 2 1 358.461 3.015 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293766389 498481324 /nfs/dbraw/zinc/48/13/24/498481324.db2.gz KLCAJXAMJFMTDF-KXBFYZLASA-N 2 1 358.461 3.015 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000572739115 506041390 /nfs/dbraw/zinc/04/13/90/506041390.db2.gz RXZUHZCKMJRUTB-SFHVURJKSA-N 2 1 360.546 3.106 20 0 FGADMP CN(C)c1ncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000362386101 498506516 /nfs/dbraw/zinc/50/65/16/498506516.db2.gz NPKHYDDREYDKMU-WCRBZPEASA-N 2 1 365.525 3.170 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917152 506046396 /nfs/dbraw/zinc/04/63/96/506046396.db2.gz WPYCKKHUYAOZLO-RTWAWAEBSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917152 506046399 /nfs/dbraw/zinc/04/63/99/506046399.db2.gz WPYCKKHUYAOZLO-RTWAWAEBSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917152 506046401 /nfs/dbraw/zinc/04/64/01/506046401.db2.gz WPYCKKHUYAOZLO-RTWAWAEBSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917152 506046405 /nfs/dbraw/zinc/04/64/05/506046405.db2.gz WPYCKKHUYAOZLO-RTWAWAEBSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917152 506046408 /nfs/dbraw/zinc/04/64/08/506046408.db2.gz WPYCKKHUYAOZLO-RTWAWAEBSA-N 2 1 363.590 3.469 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616873 498524882 /nfs/dbraw/zinc/52/48/82/498524882.db2.gz NONHRSZOJHKXAS-CVEARBPZSA-N 2 1 361.555 3.122 20 0 FGADMP Cc1csc(=O)n1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282540173 498551020 /nfs/dbraw/zinc/55/10/20/498551020.db2.gz RJNGQNKCUYNXQP-SFHVURJKSA-N 2 1 359.539 3.109 20 0 FGADMP Cc1csc(=O)n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282540173 498551026 /nfs/dbraw/zinc/55/10/26/498551026.db2.gz RJNGQNKCUYNXQP-SFHVURJKSA-N 2 1 359.539 3.109 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@H]3C3CC3)CC2)CC1 ZINC000576002615 506053516 /nfs/dbraw/zinc/05/35/16/506053516.db2.gz ZWURVFBCTYRJHE-CTNGQTDRSA-N 2 1 361.574 3.125 20 0 FGADMP CCn1cc(C[N@@H+](C)C2CCN(Cc3ncc(C)c(OC)c3C)CC2)cn1 ZINC000290454632 498559692 /nfs/dbraw/zinc/55/96/92/498559692.db2.gz MQILAICSFNRVGV-UHFFFAOYSA-N 2 1 371.529 3.020 20 0 FGADMP CCn1cc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cn1 ZINC000290454632 498559700 /nfs/dbraw/zinc/55/97/00/498559700.db2.gz MQILAICSFNRVGV-UHFFFAOYSA-N 2 1 371.529 3.020 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000365624223 498563565 /nfs/dbraw/zinc/56/35/65/498563565.db2.gz GXIIVJJQMHENMX-ZDUSSCGKSA-N 2 1 366.387 3.257 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032391 506060058 /nfs/dbraw/zinc/06/00/58/506060058.db2.gz JRXRXFJVAAPRGO-WSTZPKSXSA-N 2 1 355.530 3.292 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCc1cccnc1 ZINC000363001966 498598843 /nfs/dbraw/zinc/59/88/43/498598843.db2.gz XDLMCWDBUNRPTF-PMACEKPBSA-N 2 1 367.493 3.386 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCc1cccnc1 ZINC000363001966 498598851 /nfs/dbraw/zinc/59/88/51/498598851.db2.gz XDLMCWDBUNRPTF-PMACEKPBSA-N 2 1 367.493 3.386 20 0 FGADMP c1oc(-c2ccccc2)nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363017292 498606637 /nfs/dbraw/zinc/60/66/37/498606637.db2.gz AHPRZUIOQHDNRL-UHFFFAOYSA-N 2 1 355.482 3.276 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3ccc4c(c3)CCO4)CC2)nc(C)[nH+]1 ZINC000365786349 498639878 /nfs/dbraw/zinc/63/98/78/498639878.db2.gz JUIBDOROXQJWHJ-UHFFFAOYSA-N 2 1 352.482 3.129 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc4c(c3)CCO4)CC2)nc(C)[nH+]1 ZINC000365786349 498639885 /nfs/dbraw/zinc/63/98/85/498639885.db2.gz JUIBDOROXQJWHJ-UHFFFAOYSA-N 2 1 352.482 3.129 20 0 FGADMP C[NH+](C)C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000576059182 506066613 /nfs/dbraw/zinc/06/66/13/506066613.db2.gz PWAWATKPAKZZFH-AZUAARDMSA-N 2 1 373.928 3.404 20 0 FGADMP C(CC[NH+]1CCCC12CCOCC2)CC[N@H+]1CCCC12CCOCC2 ZINC000363108426 498653583 /nfs/dbraw/zinc/65/35/83/498653583.db2.gz SCUHNIBGCCENAS-UHFFFAOYSA-N 2 1 350.547 3.447 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827009 498657034 /nfs/dbraw/zinc/65/70/34/498657034.db2.gz RJHJCQYPBJTOPC-WOZUAGRISA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1CC[C@H](C)CN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365836784 498663015 /nfs/dbraw/zinc/66/30/15/498663015.db2.gz JHIPNQSYXDEVDF-ZWKOTPCHSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000303444638 498675391 /nfs/dbraw/zinc/67/53/91/498675391.db2.gz GOVFKPRCGAIJJN-GOSISDBHSA-N 2 1 366.594 3.307 20 0 FGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000294377675 498675957 /nfs/dbraw/zinc/67/59/57/498675957.db2.gz URRZWRSHVSORIL-MRXNPFEDSA-N 2 1 359.424 3.471 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccnc(Cl)c2Cl)ccn1 ZINC000290781279 498677888 /nfs/dbraw/zinc/67/78/88/498677888.db2.gz CFRSNUPIBDQHGV-UHFFFAOYSA-N 2 1 355.269 3.014 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000303936268 498730457 /nfs/dbraw/zinc/73/04/57/498730457.db2.gz XXSRATRBZSPLMS-IBGZPJMESA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000303936268 498730465 /nfs/dbraw/zinc/73/04/65/498730465.db2.gz XXSRATRBZSPLMS-IBGZPJMESA-N 2 1 372.557 3.023 20 0 FGADMP C[N@@H+](CCC[NH2+]C1CCN(Cc2ccccn2)CC1)Cc1ccccc1 ZINC000576141060 506086106 /nfs/dbraw/zinc/08/61/06/506086106.db2.gz RWJLYTBRNOABMI-UHFFFAOYSA-N 2 1 352.526 3.158 20 0 FGADMP C[C@@H]1C[N@@H+](CCCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091762 506088073 /nfs/dbraw/zinc/08/80/73/506088073.db2.gz IGSSFQUEBHHNSA-IRLDBZIGSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091762 506088074 /nfs/dbraw/zinc/08/80/74/506088074.db2.gz IGSSFQUEBHHNSA-IRLDBZIGSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091762 506088079 /nfs/dbraw/zinc/08/80/79/506088079.db2.gz IGSSFQUEBHHNSA-IRLDBZIGSA-N 2 1 371.569 3.274 20 0 FGADMP CCN(C(=O)[C@@H]1CCCn2ccnc21)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000363354948 498776421 /nfs/dbraw/zinc/77/64/21/498776421.db2.gz FXTAPFOWHYBHFU-YZGWKJHDSA-N 2 1 366.509 3.445 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000572945910 506089707 /nfs/dbraw/zinc/08/97/07/506089707.db2.gz OJEMOYHYFHKQEB-HXUWFJFHSA-N 2 1 350.466 3.221 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283161785 498803220 /nfs/dbraw/zinc/80/32/20/498803220.db2.gz IQUMQQPIBBAERP-UVUJQTEASA-N 2 1 372.553 3.054 20 0 FGADMP COc1cc(NC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)cc(OC)c1 ZINC000366170340 498805680 /nfs/dbraw/zinc/80/56/80/498805680.db2.gz VAHINTJGMXQZQM-IBGZPJMESA-N 2 1 361.530 3.455 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000287648169 498825152 /nfs/dbraw/zinc/82/51/52/498825152.db2.gz QGSQPBJUTXSNQB-BLMTVLTRSA-N 2 1 372.557 3.382 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259254 498846244 /nfs/dbraw/zinc/84/62/44/498846244.db2.gz NGQNIAOAVVXTJH-MNEFBYGVSA-N 2 1 363.933 3.293 20 0 FGADMP COC[C@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](COC)C3)c2)C1 ZINC000295115220 498914307 /nfs/dbraw/zinc/91/43/07/498914307.db2.gz VWBSNOGPCLPJOP-IRXDYDNUSA-N 2 1 366.933 3.277 20 0 FGADMP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416765 498917100 /nfs/dbraw/zinc/91/71/00/498917100.db2.gz ZHCYYFCKSLWJBD-PZJWPPBQSA-N 2 1 351.494 3.105 20 0 FGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OCc1cccnc1 ZINC000295125228 498918779 /nfs/dbraw/zinc/91/87/79/498918779.db2.gz XVGIJPIVJKXGPQ-IHWFROFDSA-N 2 1 367.493 3.384 20 0 FGADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OCc1cccnc1 ZINC000295125228 498918783 /nfs/dbraw/zinc/91/87/83/498918783.db2.gz XVGIJPIVJKXGPQ-IHWFROFDSA-N 2 1 367.493 3.384 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nnc5n4CCCC5)C3)CC2)cc1 ZINC000291395659 498923854 /nfs/dbraw/zinc/92/38/54/498923854.db2.gz DCIBUGCFOBHAQT-UHFFFAOYSA-N 2 1 365.525 3.103 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nnc5n4CCCC5)C3)CC2)cc1 ZINC000291395659 498923859 /nfs/dbraw/zinc/92/38/59/498923859.db2.gz DCIBUGCFOBHAQT-UHFFFAOYSA-N 2 1 365.525 3.103 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H](C)c3ccccc3)CC2)CC1 ZINC000576289729 506122601 /nfs/dbraw/zinc/12/26/01/506122601.db2.gz NJPXOMVHZRFZIW-IBGZPJMESA-N 2 1 371.569 3.493 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c(-c2ccncc2)n1 ZINC000333409501 499001004 /nfs/dbraw/zinc/00/10/04/499001004.db2.gz GSHIEWHOPCYBDC-SFHVURJKSA-N 2 1 362.481 3.004 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)[C@H](C)C1 ZINC000366732339 499052702 /nfs/dbraw/zinc/05/27/02/499052702.db2.gz WJYHVUKNZAZZPD-WCIQWLHISA-N 2 1 362.562 3.173 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071757 499143608 /nfs/dbraw/zinc/14/36/08/499143608.db2.gz CLPDRQPWJHGOLU-OFNKIYASSA-N 2 1 371.569 3.226 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000367071757 499143610 /nfs/dbraw/zinc/14/36/10/499143610.db2.gz CLPDRQPWJHGOLU-OFNKIYASSA-N 2 1 371.569 3.226 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000367118171 499151305 /nfs/dbraw/zinc/15/13/05/499151305.db2.gz YILLOQYRCNGVKD-UHFFFAOYSA-N 2 1 364.497 3.126 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000367118171 499151308 /nfs/dbraw/zinc/15/13/08/499151308.db2.gz YILLOQYRCNGVKD-UHFFFAOYSA-N 2 1 364.497 3.126 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CCN1C1CC[NH+](C)CC1 ZINC000369917070 499151760 /nfs/dbraw/zinc/15/17/60/499151760.db2.gz ARNCMPGCVXNSGN-MRXNPFEDSA-N 2 1 372.488 3.081 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CCN1C1CC[NH+](C)CC1 ZINC000369917070 499151763 /nfs/dbraw/zinc/15/17/63/499151763.db2.gz ARNCMPGCVXNSGN-MRXNPFEDSA-N 2 1 372.488 3.081 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309533 499178046 /nfs/dbraw/zinc/17/80/46/499178046.db2.gz JMQJXNQTYUJAGD-KDOFPFPSSA-N 2 1 350.453 3.195 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000367372362 499190125 /nfs/dbraw/zinc/19/01/25/499190125.db2.gz TVRDCLVMNMFIKT-INIZCTEOSA-N 2 1 352.482 3.186 20 0 FGADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367433343 499198372 /nfs/dbraw/zinc/19/83/72/499198372.db2.gz WABNLKKAUWDTND-UHFFFAOYSA-N 2 1 354.498 3.152 20 0 FGADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367433343 499198374 /nfs/dbraw/zinc/19/83/74/499198374.db2.gz WABNLKKAUWDTND-UHFFFAOYSA-N 2 1 354.498 3.152 20 0 FGADMP CN(C)C(=O)Sc1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000370252194 499202273 /nfs/dbraw/zinc/20/22/73/499202273.db2.gz PEXCBEGBOWTKLP-NZSAHSFTSA-N 2 1 359.539 3.376 20 0 FGADMP CC(C)n1ncc2cc(C[NH2+]Cc3cnc4n3CCCC4)c(Cl)nc21 ZINC000370261012 499203411 /nfs/dbraw/zinc/20/34/11/499203411.db2.gz KQHLNFRBWBXEFU-UHFFFAOYSA-N 2 1 358.877 3.488 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000370303959 499207608 /nfs/dbraw/zinc/20/76/08/499207608.db2.gz VZVGKBVXTSOUEV-SJORKVTESA-N 2 1 363.550 3.329 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000370303957 499207616 /nfs/dbraw/zinc/20/76/16/499207616.db2.gz VZVGKBVXTSOUEV-IAGOWNOFSA-N 2 1 363.550 3.329 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615371 499235662 /nfs/dbraw/zinc/23/56/62/499235662.db2.gz CDRUWTPRRQXFFL-RCOXNQKVSA-N 2 1 364.505 3.382 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615371 499235663 /nfs/dbraw/zinc/23/56/63/499235663.db2.gz CDRUWTPRRQXFFL-RCOXNQKVSA-N 2 1 364.505 3.382 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000370653955 499240255 /nfs/dbraw/zinc/24/02/55/499240255.db2.gz VPXXYVDYUXRXPX-MOXGXCLJSA-N 2 1 359.489 3.329 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000370653956 499240301 /nfs/dbraw/zinc/24/03/01/499240301.db2.gz VPXXYVDYUXRXPX-XFQXTVEOSA-N 2 1 359.489 3.329 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017193 499255439 /nfs/dbraw/zinc/25/54/39/499255439.db2.gz GZCSIYDDWDIEEJ-PKOBYXMFSA-N 2 1 361.505 3.140 20 0 FGADMP Cc1cccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000371081348 499287054 /nfs/dbraw/zinc/28/70/54/499287054.db2.gz QQBQTCBGSWDBKF-UHFFFAOYSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000371088640 499287725 /nfs/dbraw/zinc/28/77/25/499287725.db2.gz DKULNSWFMKBAGN-LJQANCHMSA-N 2 1 351.579 3.371 20 0 FGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000368354102 499288305 /nfs/dbraw/zinc/28/83/05/499288305.db2.gz HDMAHMOTHJUPCW-TVKQPGBESA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1C[C@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000368354102 499288307 /nfs/dbraw/zinc/28/83/07/499288307.db2.gz HDMAHMOTHJUPCW-TVKQPGBESA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1C[C@H]([N@@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354102 499288309 /nfs/dbraw/zinc/28/83/09/499288309.db2.gz HDMAHMOTHJUPCW-TVKQPGBESA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1C[C@H]([N@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354102 499288310 /nfs/dbraw/zinc/28/83/10/499288310.db2.gz HDMAHMOTHJUPCW-TVKQPGBESA-N 2 1 351.535 3.096 20 0 FGADMP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453743 499297611 /nfs/dbraw/zinc/29/76/11/499297611.db2.gz MJTSUHQGXQXPFH-UTKZUKDTSA-N 2 1 351.494 3.443 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242692 499301743 /nfs/dbraw/zinc/30/17/43/499301743.db2.gz HKILLKJBQWLIJE-PZJWPPBQSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@H]1C[N@@H+](CCCSCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301234 499307178 /nfs/dbraw/zinc/30/71/78/499307178.db2.gz DOJPVODPKIBLOU-PZJWPPBQSA-N 2 1 361.599 3.268 20 0 FGADMP C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371338034 499312366 /nfs/dbraw/zinc/31/23/66/499312366.db2.gz YAGGZVRWCFPFFX-OXQOHEQNSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371338034 499312368 /nfs/dbraw/zinc/31/23/68/499312368.db2.gz YAGGZVRWCFPFFX-OXQOHEQNSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000371373918 499316909 /nfs/dbraw/zinc/31/69/09/499316909.db2.gz OPYNEDGIBDYHRI-KRWDZBQOSA-N 2 1 370.497 3.232 20 0 FGADMP c1cc(CC[NH+]2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)ccn1 ZINC000369178908 499375030 /nfs/dbraw/zinc/37/50/30/499375030.db2.gz OFSPTCZEGAWKHE-UHFFFAOYSA-N 2 1 365.521 3.246 20 0 FGADMP CC(=O)Nc1ccccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371900546 499376720 /nfs/dbraw/zinc/37/67/20/499376720.db2.gz ZPOTZIMOPRVJME-UHFFFAOYSA-N 2 1 352.482 3.388 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000371978466 499386342 /nfs/dbraw/zinc/38/63/42/499386342.db2.gz IJXUAIRRQXFBMS-CEMLEFRQSA-N 2 1 359.558 3.382 20 0 FGADMP C[C@H]1CCC[C@@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372133131 499402039 /nfs/dbraw/zinc/40/20/39/499402039.db2.gz CKINIMFRYCZIDB-AZUAARDMSA-N 2 1 363.590 3.467 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000372311209 499419472 /nfs/dbraw/zinc/41/94/72/499419472.db2.gz YSRJSCKZTTYLPT-UHFFFAOYSA-N 2 1 366.509 3.267 20 0 FGADMP c1cnn([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@@H](n4cccn4)C3)C2)c1 ZINC000369585608 499422685 /nfs/dbraw/zinc/42/26/85/499422685.db2.gz TUYVZAGECDRLKA-NHCUHLMSSA-N 2 1 370.545 3.224 20 0 FGADMP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nc(-c3ccsc3)no1)CC2)C1CC1 ZINC000372421653 499432788 /nfs/dbraw/zinc/43/27/88/499432788.db2.gz WVPVDAVPURVOKB-OAHLLOKOSA-N 2 1 358.511 3.494 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nc(-c3ccsc3)no1)CC2)C1CC1 ZINC000372421653 499432789 /nfs/dbraw/zinc/43/27/89/499432789.db2.gz WVPVDAVPURVOKB-OAHLLOKOSA-N 2 1 358.511 3.494 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768402 499441786 /nfs/dbraw/zinc/44/17/86/499441786.db2.gz WOGPSPILIFCTEG-YJBOKZPZSA-N 2 1 355.448 3.163 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000369767127 499441813 /nfs/dbraw/zinc/44/18/13/499441813.db2.gz QHKHLZNXFAHYHI-AVRDEDQJSA-N 2 1 371.569 3.272 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000373232260 499458887 /nfs/dbraw/zinc/45/88/87/499458887.db2.gz UEUGOVHPLNGERI-GOSISDBHSA-N 2 1 353.445 3.184 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1coc(-c2cccc(F)c2)n1 ZINC000373447980 499470211 /nfs/dbraw/zinc/47/02/11/499470211.db2.gz LYQOBJNZOQZMRQ-CDHQVMDDSA-N 2 1 373.472 3.460 20 0 FGADMP C[N@@H+](CC1CCC(C(F)(F)F)CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375214359 499496217 /nfs/dbraw/zinc/49/62/17/499496217.db2.gz FPRZJJTXRVPUMA-LEOMRAHMSA-N 2 1 361.496 3.455 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368301 499507632 /nfs/dbraw/zinc/50/76/32/499507632.db2.gz GLPKUACTOBAUAM-FCEUIQTBSA-N 2 1 351.494 3.432 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375410591 499515713 /nfs/dbraw/zinc/51/57/13/499515713.db2.gz KPAIFRPFVIYNOG-QZNHQXDQSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375410591 499515714 /nfs/dbraw/zinc/51/57/14/499515714.db2.gz KPAIFRPFVIYNOG-QZNHQXDQSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@@]1(C)O ZINC000375410591 499515716 /nfs/dbraw/zinc/51/57/16/499515716.db2.gz KPAIFRPFVIYNOG-QZNHQXDQSA-N 2 1 374.569 3.397 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378513213 499526147 /nfs/dbraw/zinc/52/61/47/499526147.db2.gz CQFBYZREHPVFCM-RTBURBONSA-N 2 1 372.557 3.436 20 0 FGADMP Cc1ncc(C[N@@H+]2CC[C@H](NCC(=O)Nc3ccc(C)cc3)[C@@H](C)C2)s1 ZINC000375509488 499526930 /nfs/dbraw/zinc/52/69/30/499526930.db2.gz LAKZCQGGNCVPNO-KXBFYZLASA-N 2 1 372.538 3.199 20 0 FGADMP Cc1ncc(C[N@H+]2CC[C@H](NCC(=O)Nc3ccc(C)cc3)[C@@H](C)C2)s1 ZINC000375509488 499526932 /nfs/dbraw/zinc/52/69/32/499526932.db2.gz LAKZCQGGNCVPNO-KXBFYZLASA-N 2 1 372.538 3.199 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000375520558 499528073 /nfs/dbraw/zinc/52/80/73/499528073.db2.gz BCUIZVWDFXTKQP-QZTJIDSGSA-N 2 1 374.529 3.394 20 0 FGADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540077 499529641 /nfs/dbraw/zinc/52/96/41/499529641.db2.gz PAQULLWJFFRRFT-HXUWFJFHSA-N 2 1 361.436 3.242 20 0 FGADMP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375745511 499550985 /nfs/dbraw/zinc/55/09/85/499550985.db2.gz QVKLHDFKRWJENV-VHRCFOOQSA-N 2 1 355.526 3.127 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000390918557 499556012 /nfs/dbraw/zinc/55/60/12/499556012.db2.gz WFEIFYGJWIOJLA-IRLDBZIGSA-N 2 1 368.521 3.317 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000390918557 499556014 /nfs/dbraw/zinc/55/60/14/499556014.db2.gz WFEIFYGJWIOJLA-IRLDBZIGSA-N 2 1 368.521 3.317 20 0 FGADMP Cn1ccc(N2CC[C@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)C2)n1 ZINC000375847990 499561623 /nfs/dbraw/zinc/56/16/23/499561623.db2.gz CGTLAWAIEZTEPF-KBWCOIMZSA-N 2 1 367.541 3.032 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960965 499565774 /nfs/dbraw/zinc/56/57/74/499565774.db2.gz DZJHZXCAJIWAQY-WPYKKVEZSA-N 2 1 368.521 3.235 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000375901595 499566739 /nfs/dbraw/zinc/56/67/39/499566739.db2.gz CDCZVZOIAPGVTL-GOSISDBHSA-N 2 1 355.448 3.306 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1)C1CC1 ZINC000409451752 499598016 /nfs/dbraw/zinc/59/80/16/499598016.db2.gz DFJAEDAOARHMRV-LJQANCHMSA-N 2 1 355.482 3.297 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1)C1CC1 ZINC000409451752 499598018 /nfs/dbraw/zinc/59/80/18/499598018.db2.gz DFJAEDAOARHMRV-LJQANCHMSA-N 2 1 355.482 3.297 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633125 499624958 /nfs/dbraw/zinc/62/49/58/499624958.db2.gz CJRZGWBBQZNTHP-ZIBCJSCZSA-N 2 1 355.526 3.030 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1-c1cccnc1 ZINC000376713863 499631178 /nfs/dbraw/zinc/63/11/78/499631178.db2.gz AMXXHDOETVZWBL-NRFANRHFSA-N 2 1 374.488 3.134 20 0 FGADMP C[C@@H](Cc1ccccc1)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376918645 499646238 /nfs/dbraw/zinc/64/62/38/499646238.db2.gz OLPDSBBRSFRXLF-IBGZPJMESA-N 2 1 371.569 3.178 20 0 FGADMP CN(C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376932785 499647495 /nfs/dbraw/zinc/64/74/95/499647495.db2.gz MEOBEVUWCINRPA-COHPWVSRSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376932785 499647496 /nfs/dbraw/zinc/64/74/96/499647496.db2.gz MEOBEVUWCINRPA-COHPWVSRSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376932785 499647497 /nfs/dbraw/zinc/64/74/97/499647497.db2.gz MEOBEVUWCINRPA-COHPWVSRSA-N 2 1 362.562 3.050 20 0 FGADMP COCCOCc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000377617005 499711079 /nfs/dbraw/zinc/71/10/79/499711079.db2.gz RDMBCTBBUZQIFC-UHFFFAOYSA-N 2 1 357.498 3.038 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377633300 499713444 /nfs/dbraw/zinc/71/34/44/499713444.db2.gz WYZHAQBHXMDURP-KRWDZBQOSA-N 2 1 362.587 3.260 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377633300 499713446 /nfs/dbraw/zinc/71/34/46/499713446.db2.gz WYZHAQBHXMDURP-KRWDZBQOSA-N 2 1 362.587 3.260 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000377695569 499721353 /nfs/dbraw/zinc/72/13/53/499721353.db2.gz MJUHTWLJLGKPTK-SIKLNZKXSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377695569 499721354 /nfs/dbraw/zinc/72/13/54/499721354.db2.gz MJUHTWLJLGKPTK-SIKLNZKXSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377695569 499721356 /nfs/dbraw/zinc/72/13/56/499721356.db2.gz MJUHTWLJLGKPTK-SIKLNZKXSA-N 2 1 357.542 3.175 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@H]1c1ccccc1 ZINC000377764142 499730551 /nfs/dbraw/zinc/73/05/51/499730551.db2.gz SNQDWYSMPSIJRT-JTHBVZDNSA-N 2 1 365.521 3.306 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000411470268 499744697 /nfs/dbraw/zinc/74/46/97/499744697.db2.gz OCBXQJYMOLZYEW-ZDUSSCGKSA-N 2 1 355.885 3.119 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000414182520 499766528 /nfs/dbraw/zinc/76/65/28/499766528.db2.gz NIWLLCUXYARJLG-RZFNWQHOSA-N 2 1 368.521 3.271 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)c1 ZINC000414290579 499774707 /nfs/dbraw/zinc/77/47/07/499774707.db2.gz ACCXSUPSEZMFPS-UHFFFAOYSA-N 2 1 366.552 3.282 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414291956 499774886 /nfs/dbraw/zinc/77/48/86/499774886.db2.gz UQKOMEGFAYTRBP-KRWDZBQOSA-N 2 1 355.530 3.008 20 0 FGADMP OC[C@@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOc2ccccc21 ZINC000411667347 499775204 /nfs/dbraw/zinc/77/52/04/499775204.db2.gz BMDLYAXTLABNIE-QHCPKHFHSA-N 2 1 366.505 3.432 20 0 FGADMP CS(=O)(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411790903 499791218 /nfs/dbraw/zinc/79/12/18/499791218.db2.gz PCUPOZVRCUKLFP-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411790903 499791220 /nfs/dbraw/zinc/79/12/20/499791220.db2.gz PCUPOZVRCUKLFP-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412043267 499816315 /nfs/dbraw/zinc/81/63/15/499816315.db2.gz NHZKGDCHQMCGDC-ROUUACIJSA-N 2 1 357.542 3.276 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@H]12 ZINC000414670767 499819105 /nfs/dbraw/zinc/81/91/05/499819105.db2.gz MRYBSYNYOAJBCB-AYOQOUSVSA-N 2 1 351.498 3.229 20 0 FGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784251 499830815 /nfs/dbraw/zinc/83/08/15/499830815.db2.gz RAVSTQVAOUFKPT-CVEARBPZSA-N 2 1 350.890 3.323 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820402 499834441 /nfs/dbraw/zinc/83/44/41/499834441.db2.gz ASWFEIAIYKUADI-PWSUYJOCSA-N 2 1 363.811 3.418 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414907446 499843617 /nfs/dbraw/zinc/84/36/17/499843617.db2.gz NITFUXNMUDUQLE-CQSZACIVSA-N 2 1 371.319 3.478 20 0 FGADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414985629 499851627 /nfs/dbraw/zinc/85/16/27/499851627.db2.gz WGOBSYNFYSOQDQ-FQEVSTJZSA-N 2 1 364.493 3.434 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999922 499853453 /nfs/dbraw/zinc/85/34/53/499853453.db2.gz KVIWGJBTGSCORA-HOCLYGCPSA-N 2 1 353.457 3.362 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044093 499857709 /nfs/dbraw/zinc/85/77/09/499857709.db2.gz AFEMCTCVFXYHJE-UHFFFAOYSA-N 2 1 351.922 3.045 20 0 FGADMP c1ccc(OC2CCCC2)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415045965 499857878 /nfs/dbraw/zinc/85/78/78/499857878.db2.gz CDLKVJZCLBVWOR-UHFFFAOYSA-N 2 1 357.542 3.314 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415048283 499858058 /nfs/dbraw/zinc/85/80/58/499858058.db2.gz GBHUVWSNYOBZAO-UHFFFAOYSA-N 2 1 355.448 3.320 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN[C@H](CCC[NH3+])c3ccccc3)sc2C1 ZINC000415048883 499858151 /nfs/dbraw/zinc/85/81/51/499858151.db2.gz GKOLJUTXGQURLU-QGZVFWFLSA-N 2 1 358.555 3.479 20 0 FGADMP c1ccc(CCCOc2cccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c2)cc1 ZINC000415048832 499858159 /nfs/dbraw/zinc/85/81/59/499858159.db2.gz XMAHMJOZCTZUJC-QFIPXVFZSA-N 2 1 354.494 3.166 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000415904016 499926531 /nfs/dbraw/zinc/92/65/31/499926531.db2.gz FRKHLXJUACVVCJ-UHFFFAOYSA-N 2 1 358.461 3.189 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000415910888 499927405 /nfs/dbraw/zinc/92/74/05/499927405.db2.gz CKVSLFMZNBGXCB-WOJBJXKFSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000415923606 499929191 /nfs/dbraw/zinc/92/91/91/499929191.db2.gz WUOPSDRQCXMSID-HXUWFJFHSA-N 2 1 352.482 3.192 20 0 FGADMP CC[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415961930 499934148 /nfs/dbraw/zinc/93/41/48/499934148.db2.gz SAUPBAFCJCUMMS-FQEVSTJZSA-N 2 1 352.482 3.274 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000415966327 499934513 /nfs/dbraw/zinc/93/45/13/499934513.db2.gz ZGHFRXVEFOAPEY-ROUUACIJSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000415966327 499934515 /nfs/dbraw/zinc/93/45/15/499934515.db2.gz ZGHFRXVEFOAPEY-ROUUACIJSA-N 2 1 358.873 3.366 20 0 FGADMP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000415966378 499934660 /nfs/dbraw/zinc/93/46/60/499934660.db2.gz GLIUUOQXCIBIAA-QWHCGFSZSA-N 2 1 372.435 3.406 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000415968083 499935098 /nfs/dbraw/zinc/93/50/98/499935098.db2.gz CHTRYGPMRABAEV-KRWDZBQOSA-N 2 1 354.498 3.438 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981361 499937261 /nfs/dbraw/zinc/93/72/61/499937261.db2.gz VLXUUOCSFZQTPF-IAGOWNOFSA-N 2 1 352.482 3.272 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000415985817 499937772 /nfs/dbraw/zinc/93/77/72/499937772.db2.gz BVHGQYOYWSVLQJ-BGYRXZFFSA-N 2 1 364.493 3.002 20 0 FGADMP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000416004394 499940094 /nfs/dbraw/zinc/94/00/94/499940094.db2.gz GZOUJJPOWISTSR-NRFANRHFSA-N 2 1 364.493 3.418 20 0 FGADMP CCN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000416004396 499940183 /nfs/dbraw/zinc/94/01/83/499940183.db2.gz GZOUJJPOWISTSR-OAQYLSRUSA-N 2 1 364.493 3.418 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416128129 499951984 /nfs/dbraw/zinc/95/19/84/499951984.db2.gz UJOHGGIKDYCXRE-MRXNPFEDSA-N 2 1 358.511 3.153 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416128129 499951987 /nfs/dbraw/zinc/95/19/87/499951987.db2.gz UJOHGGIKDYCXRE-MRXNPFEDSA-N 2 1 358.511 3.153 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000416157145 499962556 /nfs/dbraw/zinc/96/25/56/499962556.db2.gz QMRIEQTUXSUHLQ-FQEVSTJZSA-N 2 1 366.509 3.168 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000416177571 499969900 /nfs/dbraw/zinc/96/99/00/499969900.db2.gz GEHNQAVOBFLFDH-KCZVDYSFSA-N 2 1 351.494 3.241 20 0 FGADMP CC(C[NH+]1CCOC[C@@H](C2CCC2)C1)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029964 499988114 /nfs/dbraw/zinc/98/81/14/499988114.db2.gz QPEGIVTUIYSHAG-VXKWHMMOSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)C[C@H]1C ZINC000570462190 506173469 /nfs/dbraw/zinc/17/34/69/506173469.db2.gz BMFWORKIZRWJKN-KOUHRCEDSA-N 3 1 359.558 3.055 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000417505789 500092493 /nfs/dbraw/zinc/09/24/93/500092493.db2.gz KQPKBRHGOYNKIV-HXUWFJFHSA-N 2 1 354.498 3.013 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000417586926 500117852 /nfs/dbraw/zinc/11/78/52/500117852.db2.gz RICNISNEIXLVGF-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000417586928 500117917 /nfs/dbraw/zinc/11/79/17/500117917.db2.gz RICNISNEIXLVGF-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)(C)N1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000425485339 500120333 /nfs/dbraw/zinc/12/03/33/500120333.db2.gz TVZVEGKCUWWUKH-HXUWFJFHSA-N 2 1 369.553 3.374 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1Cl ZINC000416863237 500141588 /nfs/dbraw/zinc/14/15/88/500141588.db2.gz ZEDYNQYNFVBAFD-MPGHIAIKSA-N 2 1 366.937 3.007 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417734327 500159419 /nfs/dbraw/zinc/15/94/19/500159419.db2.gz KAXQTWPTNVHKNX-NUJGCVRESA-N 2 1 366.575 3.146 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)c(F)c1 ZINC000421830463 500161284 /nfs/dbraw/zinc/16/12/84/500161284.db2.gz JYAOGLKBHSIRAD-JXFKEZNVSA-N 2 1 352.494 3.358 20 0 FGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421834327 500161829 /nfs/dbraw/zinc/16/18/29/500161829.db2.gz CAVLPCSZRIBLCY-WIYYLYMNSA-N 2 1 360.542 3.471 20 0 FGADMP COc1ccc([C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)c(F)c1 ZINC000421854491 500164029 /nfs/dbraw/zinc/16/40/29/500164029.db2.gz LOSQHEDDUKRZOJ-FOIQADDNSA-N 2 1 350.478 3.376 20 0 FGADMP COc1ccc([C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)c(F)c1 ZINC000421854491 500164031 /nfs/dbraw/zinc/16/40/31/500164031.db2.gz LOSQHEDDUKRZOJ-FOIQADDNSA-N 2 1 350.478 3.376 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000416969334 500169182 /nfs/dbraw/zinc/16/91/82/500169182.db2.gz BNBGITNFXWSPIG-ROUUACIJSA-N 2 1 360.546 3.378 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968527 500169540 /nfs/dbraw/zinc/16/95/40/500169540.db2.gz JJGHAKHADSRNJK-DBXWQHBBSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000416969929 500169855 /nfs/dbraw/zinc/16/98/55/500169855.db2.gz MDILGPXEESQNQP-UHFFFAOYSA-N 2 1 368.525 3.197 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000416971402 500170917 /nfs/dbraw/zinc/17/09/17/500170917.db2.gz GRPFWKDUCBJSBQ-DZIBYMRMSA-N 2 1 358.530 3.130 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3(C)CC[NH2+]CC3)cc2)C1 ZINC000416997749 500180139 /nfs/dbraw/zinc/18/01/39/500180139.db2.gz WBSXEXZBANLAOB-HDICACEKSA-N 2 1 372.557 3.106 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000417852809 500184447 /nfs/dbraw/zinc/18/44/47/500184447.db2.gz HKSFVDASVUBOSA-IFXJQAMLSA-N 2 1 355.486 3.058 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000579463670 506181154 /nfs/dbraw/zinc/18/11/54/506181154.db2.gz FAZRTVBDODGFOH-RAFMOHDBSA-N 2 1 360.542 3.247 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000417873355 500188936 /nfs/dbraw/zinc/18/89/36/500188936.db2.gz JDYSUQLTWOKMDE-RTWAWAEBSA-N 2 1 372.557 3.060 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000417934949 500200508 /nfs/dbraw/zinc/20/05/08/500200508.db2.gz PLXOSMNWVJEJQN-FGTMMUONSA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000417934949 500200510 /nfs/dbraw/zinc/20/05/10/500200510.db2.gz PLXOSMNWVJEJQN-FGTMMUONSA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154803 500201324 /nfs/dbraw/zinc/20/13/24/500201324.db2.gz YCRPIHRRUVUOQY-SOLBZPMBSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154803 500201325 /nfs/dbraw/zinc/20/13/25/500201325.db2.gz YCRPIHRRUVUOQY-SOLBZPMBSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@H+]([C@@H]4C[C@@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154803 500201329 /nfs/dbraw/zinc/20/13/29/500201329.db2.gz YCRPIHRRUVUOQY-SOLBZPMBSA-N 2 1 362.587 3.072 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1OC ZINC000425892943 500208396 /nfs/dbraw/zinc/20/83/96/500208396.db2.gz CJVVTXXJOOSLPY-CQSZACIVSA-N 2 1 359.470 3.400 20 0 FGADMP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417992486 500211298 /nfs/dbraw/zinc/21/12/98/500211298.db2.gz MQAJLQMTXYSWET-IEBWSBKVSA-N 2 1 364.578 3.190 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418008614 500213588 /nfs/dbraw/zinc/21/35/88/500213588.db2.gz RLJXGGBABNBWBB-CVEARBPZSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418008614 500213591 /nfs/dbraw/zinc/21/35/91/500213591.db2.gz RLJXGGBABNBWBB-CVEARBPZSA-N 2 1 370.900 3.039 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425952408 500216402 /nfs/dbraw/zinc/21/64/02/500216402.db2.gz HGYAFLGCLAHJJM-OAQYLSRUSA-N 2 1 373.928 3.455 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418034854 500217774 /nfs/dbraw/zinc/21/77/74/500217774.db2.gz OXEBRPBRFZUDSF-JKWVGCSGSA-N 2 1 372.557 3.067 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418037019 500218067 /nfs/dbraw/zinc/21/80/67/500218067.db2.gz QOBXKJVXSBXNAL-NRFANRHFSA-N 2 1 374.573 3.174 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426089980 500234585 /nfs/dbraw/zinc/23/45/85/500234585.db2.gz IRRQPBCIOWPJRK-NRFANRHFSA-N 2 1 355.526 3.306 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000422233766 500238705 /nfs/dbraw/zinc/23/87/05/500238705.db2.gz CVKJAPBWOMBIQZ-UHFFFAOYSA-N 2 1 372.557 3.165 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418156875 500238847 /nfs/dbraw/zinc/23/88/47/500238847.db2.gz NUDDEDGIHRBRJJ-ZCNNSNEGSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163600 500240384 /nfs/dbraw/zinc/24/03/84/500240384.db2.gz DRMJMVYGZVQVAT-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185659 500245010 /nfs/dbraw/zinc/24/50/10/500245010.db2.gz RBHCLVAFZWSMTL-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CCCN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418308490 500260528 /nfs/dbraw/zinc/26/05/28/500260528.db2.gz BTNCTBOGGKXYQN-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418340394 500264583 /nfs/dbraw/zinc/26/45/83/500264583.db2.gz LHGXVSJSUHVAIU-BJLQDIEVSA-N 2 1 364.578 3.061 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418352012 500266990 /nfs/dbraw/zinc/26/69/90/500266990.db2.gz MBNMBNHGHBJAIF-XLIONFOSSA-N 2 1 360.546 3.183 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000422564724 500275253 /nfs/dbraw/zinc/27/52/53/500275253.db2.gz WSJWJVUQLOLGDQ-IPYPFGDCSA-N 2 1 360.420 3.442 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418427860 500275394 /nfs/dbraw/zinc/27/53/94/500275394.db2.gz OHENAQLYYLGELV-HKBOAZHASA-N 2 1 372.557 3.058 20 0 FGADMP O[C@]1(C[NH2+]CCSCc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000430753606 500279952 /nfs/dbraw/zinc/27/99/52/500279952.db2.gz AAULWPLAMYWTNB-NRFANRHFSA-N 2 1 356.535 3.146 20 0 FGADMP O[C@]1(C[NH2+]CCSCc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000430753606 500279955 /nfs/dbraw/zinc/27/99/55/500279955.db2.gz AAULWPLAMYWTNB-NRFANRHFSA-N 2 1 356.535 3.146 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418472106 500280731 /nfs/dbraw/zinc/28/07/31/500280731.db2.gz SDAQMCJUNVNPMN-HXUWFJFHSA-N 2 1 372.557 3.202 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)C1CCCCC1 ZINC000422727681 500290721 /nfs/dbraw/zinc/29/07/21/500290721.db2.gz DBUWVZOKMZWEHW-DHIUTWEWSA-N 2 1 371.569 3.308 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000422732476 500291295 /nfs/dbraw/zinc/29/12/95/500291295.db2.gz OMVIXGKEQJTBEE-LLVKDONJSA-N 2 1 374.286 3.110 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760336 500295446 /nfs/dbraw/zinc/29/54/46/500295446.db2.gz LVGLBPWIGAXSFA-MBDNFAEBSA-N 2 1 357.542 3.342 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418601953 500295558 /nfs/dbraw/zinc/29/55/58/500295558.db2.gz ABWIIJSGPRRSLJ-TZIWHRDSSA-N 2 1 372.557 3.058 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3c[nH+]ccc3N)CC2)cc1 ZINC000422782882 500297124 /nfs/dbraw/zinc/29/71/24/500297124.db2.gz NPLBVCGITZWQHM-MRXNPFEDSA-N 3 1 354.498 3.066 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430921158 500307414 /nfs/dbraw/zinc/30/74/14/500307414.db2.gz XGQFZRRRPUTMBA-STQMWFEESA-N 2 1 353.894 3.043 20 0 FGADMP C[C@@H](CCC[NH3+])NC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000418693164 500308703 /nfs/dbraw/zinc/30/87/03/500308703.db2.gz STAWUKLPRRSZEQ-IBGZPJMESA-N 2 1 372.557 3.344 20 0 FGADMP C[C@H]([NH2+]CCCN1CCN(c2ccccc2Cl)CC1)c1c[nH+]ccc1N ZINC000422906196 500314869 /nfs/dbraw/zinc/31/48/69/500314869.db2.gz UJZHPMBKISQEEE-INIZCTEOSA-N 2 1 373.932 3.010 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@H](Cc3ccccc3)[C@@H](C)[NH3+])cc2)CC1 ZINC000422927668 500317704 /nfs/dbraw/zinc/31/77/04/500317704.db2.gz ZNLFWXXMPWSSDK-AUSIDOKSSA-N 2 1 366.553 3.195 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422934650 500319173 /nfs/dbraw/zinc/31/91/73/500319173.db2.gz CVWWIUJXTUFCBY-HNNXBMFYSA-N 2 1 361.493 3.374 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422970208 500325556 /nfs/dbraw/zinc/32/55/56/500325556.db2.gz VUYZMWAFMUHIJJ-XPWALMASSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422989185 500327784 /nfs/dbraw/zinc/32/77/84/500327784.db2.gz KRKQXWXPILQLMD-TZMCWYRMSA-N 2 1 353.388 3.015 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889248 500333412 /nfs/dbraw/zinc/33/34/12/500333412.db2.gz LWKCIJHLLBQGDU-QMMLZNLJSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889248 500333413 /nfs/dbraw/zinc/33/34/13/500333413.db2.gz LWKCIJHLLBQGDU-QMMLZNLJSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889248 500333417 /nfs/dbraw/zinc/33/34/17/500333417.db2.gz LWKCIJHLLBQGDU-QMMLZNLJSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423065984 500337596 /nfs/dbraw/zinc/33/75/96/500337596.db2.gz VTRLGRXFOLQCKO-CHWSQXEVSA-N 2 1 350.388 3.442 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000426986586 500341439 /nfs/dbraw/zinc/34/14/39/500341439.db2.gz MDUZQTXMWBMKLF-OAQYLSRUSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426986586 500341441 /nfs/dbraw/zinc/34/14/41/500341441.db2.gz MDUZQTXMWBMKLF-OAQYLSRUSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426986586 500341443 /nfs/dbraw/zinc/34/14/43/500341443.db2.gz MDUZQTXMWBMKLF-OAQYLSRUSA-N 2 1 367.537 3.128 20 0 FGADMP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103151 500342556 /nfs/dbraw/zinc/34/25/56/500342556.db2.gz KSPSRXKVHLSBRA-QWHCGFSZSA-N 2 1 373.360 3.289 20 0 FGADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1cccc(Cl)c1 ZINC000426994861 500342847 /nfs/dbraw/zinc/34/28/47/500342847.db2.gz KNPILTHJQWZQBA-LJQANCHMSA-N 2 1 361.917 3.253 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000419286354 500349843 /nfs/dbraw/zinc/34/98/43/500349843.db2.gz FNPJHAFYWXVRNY-FOIQADDNSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@H]1CCCC[NH2+]1 ZINC000423158740 500350120 /nfs/dbraw/zinc/35/01/20/500350120.db2.gz XDYNSIKSKMGUNH-DDUZABMNSA-N 2 1 360.452 3.263 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423180201 500351764 /nfs/dbraw/zinc/35/17/64/500351764.db2.gz KHWVUOGDYVVRRU-XNBWIAOKSA-N 2 1 371.569 3.034 20 0 FGADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423180201 500351766 /nfs/dbraw/zinc/35/17/66/500351766.db2.gz KHWVUOGDYVVRRU-XNBWIAOKSA-N 2 1 371.569 3.034 20 0 FGADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000419374932 500358950 /nfs/dbraw/zinc/35/89/50/500358950.db2.gz QOWFLKQEJDWEPV-IXDOHACOSA-N 2 1 361.555 3.150 20 0 FGADMP CC[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000423271091 500360452 /nfs/dbraw/zinc/36/04/52/500360452.db2.gz XEWYUQIGBQYGRL-MOPGFXCFSA-N 2 1 361.530 3.102 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCC1 ZINC000423298547 500362792 /nfs/dbraw/zinc/36/27/92/500362792.db2.gz ONCUYBVWOGHNQW-NRFANRHFSA-N 2 1 363.505 3.048 20 0 FGADMP CC[C@@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000423336798 500365311 /nfs/dbraw/zinc/36/53/11/500365311.db2.gz VDIORTDBBYNOAF-KKSFZXQISA-N 2 1 351.494 3.273 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000423356493 500366928 /nfs/dbraw/zinc/36/69/28/500366928.db2.gz JYPIZLSPXGYVFX-HOTGVXAUSA-N 2 1 357.523 3.410 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000423362380 500367754 /nfs/dbraw/zinc/36/77/54/500367754.db2.gz SXHZLCOEDJCDKC-PKOBYXMFSA-N 2 1 351.494 3.001 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423407648 500371653 /nfs/dbraw/zinc/37/16/53/500371653.db2.gz MWGHGCPTOCRXJM-PKOBYXMFSA-N 2 1 351.494 3.300 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542713 506191813 /nfs/dbraw/zinc/19/18/13/506191813.db2.gz XDKBAJCZOZDOLX-QGZVFWFLSA-N 2 1 371.485 3.442 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427273102 500376270 /nfs/dbraw/zinc/37/62/70/500376270.db2.gz HLPNRNCDOTUPAQ-MOPGFXCFSA-N 2 1 357.542 3.457 20 0 FGADMP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000427288519 500377979 /nfs/dbraw/zinc/37/79/79/500377979.db2.gz PVKSPORJSFDMQV-QKNQBKEWSA-N 2 1 357.542 3.450 20 0 FGADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423495262 500379567 /nfs/dbraw/zinc/37/95/67/500379567.db2.gz UFQATZCSBUHTKD-PVXIVEMSSA-N 2 1 371.344 3.200 20 0 FGADMP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423502613 500379764 /nfs/dbraw/zinc/37/97/64/500379764.db2.gz CZTWEBGUCHQYBV-MYKUNDNFSA-N 2 1 352.526 3.351 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000423518026 500380936 /nfs/dbraw/zinc/38/09/36/500380936.db2.gz ZAUXIEQGGAXLRR-MTNREXPMSA-N 2 1 352.526 3.144 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000423518029 500381036 /nfs/dbraw/zinc/38/10/36/500381036.db2.gz ZAUXIEQGGAXLRR-ZPMCFJSWSA-N 2 1 352.526 3.144 20 0 FGADMP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423518362 500381788 /nfs/dbraw/zinc/38/17/88/500381788.db2.gz ZQANLUVHMVCQEZ-NFYVFUGESA-N 2 1 356.558 3.222 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@H]3C2)cc1 ZINC000423551899 500384087 /nfs/dbraw/zinc/38/40/87/500384087.db2.gz URQNWFPVWTZSLK-YOCVKEFZSA-N 3 1 353.554 3.265 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576584542 506192755 /nfs/dbraw/zinc/19/27/55/506192755.db2.gz QEYXKSSCVXLBGP-NRFANRHFSA-N 2 1 369.553 3.470 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576584542 506192756 /nfs/dbraw/zinc/19/27/56/506192756.db2.gz QEYXKSSCVXLBGP-NRFANRHFSA-N 2 1 369.553 3.470 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562457 500392259 /nfs/dbraw/zinc/39/22/59/500392259.db2.gz WYQDFRZATFVNCN-PMACEKPBSA-N 2 1 361.505 3.342 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000431572951 500393589 /nfs/dbraw/zinc/39/35/89/500393589.db2.gz YWVAYRMHUIOONK-UYAOXDASSA-N 2 1 373.541 3.213 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000431623531 500399863 /nfs/dbraw/zinc/39/98/63/500399863.db2.gz IOODLCHSHCLXTB-JOCHJYFZSA-N 2 1 365.521 3.332 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC000431653177 500403717 /nfs/dbraw/zinc/40/37/17/500403717.db2.gz YWTMFLNJPQXRMJ-UYAOXDASSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423811331 500404300 /nfs/dbraw/zinc/40/43/00/500404300.db2.gz NQGHOMVGPMBPGJ-SYWGBEHUSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423811331 500404302 /nfs/dbraw/zinc/40/43/02/500404302.db2.gz NQGHOMVGPMBPGJ-SYWGBEHUSA-N 2 1 355.885 3.102 20 0 FGADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810862 500404338 /nfs/dbraw/zinc/40/43/38/500404338.db2.gz NAGDANLXGOWQBE-WMZOPIPTSA-N 2 1 355.885 3.119 20 0 FGADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810862 500404341 /nfs/dbraw/zinc/40/43/41/500404341.db2.gz NAGDANLXGOWQBE-WMZOPIPTSA-N 2 1 355.885 3.119 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431656392 500404398 /nfs/dbraw/zinc/40/43/98/500404398.db2.gz YBUQLKNAIWYAHF-NRFANRHFSA-N 2 1 351.494 3.024 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423812900 500404985 /nfs/dbraw/zinc/40/49/85/500404985.db2.gz PISZVBOGOCLCLZ-ULFGMLNVSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423812900 500404986 /nfs/dbraw/zinc/40/49/86/500404986.db2.gz PISZVBOGOCLCLZ-ULFGMLNVSA-N 2 1 355.885 3.247 20 0 FGADMP CC[C@H]1CN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423819373 500406083 /nfs/dbraw/zinc/40/60/83/500406083.db2.gz FUKJKHXKVQSPJB-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000423821694 500406496 /nfs/dbraw/zinc/40/64/96/500406496.db2.gz HZWJMGMYQXJGLA-HSZWUADQSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000423821694 500406499 /nfs/dbraw/zinc/40/64/99/500406499.db2.gz HZWJMGMYQXJGLA-HSZWUADQSA-N 2 1 361.917 3.122 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423831425 500408515 /nfs/dbraw/zinc/40/85/15/500408515.db2.gz QYOFDZHQSFNPOR-CODKJTEISA-N 2 1 367.484 3.224 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423831425 500408516 /nfs/dbraw/zinc/40/85/16/500408516.db2.gz QYOFDZHQSFNPOR-CODKJTEISA-N 2 1 367.484 3.224 20 0 FGADMP C[C@H](CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878450 500415237 /nfs/dbraw/zinc/41/52/37/500415237.db2.gz UMYCWVUEOMQPBS-OPYAIIAOSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423906559 500417867 /nfs/dbraw/zinc/41/78/67/500417867.db2.gz QLRJVGIIESFRLC-WIYYLYMNSA-N 2 1 357.542 3.183 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423917981 500419083 /nfs/dbraw/zinc/41/90/83/500419083.db2.gz ZRORKTWXNMFHGS-WJMWBRGCSA-N 2 1 357.542 3.119 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000423980586 500429337 /nfs/dbraw/zinc/42/93/37/500429337.db2.gz STSMQGUYONWJFE-KRWDZBQOSA-N 2 1 358.511 3.242 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000423980586 500429339 /nfs/dbraw/zinc/42/93/39/500429339.db2.gz STSMQGUYONWJFE-KRWDZBQOSA-N 2 1 358.511 3.242 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Cl)cn1 ZINC000431823593 500429574 /nfs/dbraw/zinc/42/95/74/500429574.db2.gz QYBMMELZSDFYSU-UHFFFAOYSA-N 2 1 350.938 3.368 20 0 FGADMP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420294191 500436020 /nfs/dbraw/zinc/43/60/20/500436020.db2.gz AVOCTJLQLHPPOQ-MJGOQNOKSA-N 2 1 369.509 3.477 20 0 FGADMP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420294191 500436024 /nfs/dbraw/zinc/43/60/24/500436024.db2.gz AVOCTJLQLHPPOQ-MJGOQNOKSA-N 2 1 369.509 3.477 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302900 500437478 /nfs/dbraw/zinc/43/74/78/500437478.db2.gz JYIICFWVYQBYNW-OALUTQOASA-N 2 1 367.493 3.088 20 0 FGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323699 500441901 /nfs/dbraw/zinc/44/19/01/500441901.db2.gz GTRKEDXINFFDQM-HZPDHXFCSA-N 2 1 356.466 3.431 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332521 500443348 /nfs/dbraw/zinc/44/33/48/500443348.db2.gz DCQCFLMNFCMKGG-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332521 500443349 /nfs/dbraw/zinc/44/33/49/500443349.db2.gz DCQCFLMNFCMKGG-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP Brc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332751 500443396 /nfs/dbraw/zinc/44/33/96/500443396.db2.gz SHWYTTIWRBSKMY-GJZGRUSLSA-N 2 1 353.304 3.149 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338280 500443927 /nfs/dbraw/zinc/44/39/27/500443927.db2.gz KNZKHGRQQAKKDL-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338280 500443929 /nfs/dbraw/zinc/44/39/29/500443929.db2.gz KNZKHGRQQAKKDL-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339943 500444623 /nfs/dbraw/zinc/44/46/23/500444623.db2.gz ZKDVAICXSJEXIW-PVAVHDDUSA-N 2 1 358.461 3.182 20 0 FGADMP C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420366130 500448655 /nfs/dbraw/zinc/44/86/55/500448655.db2.gz FNBASCBSCVLGBH-CPUCHLNUSA-N 2 1 353.304 3.211 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420377853 500451043 /nfs/dbraw/zinc/45/10/43/500451043.db2.gz LKKUYEOXXGOEFH-PZJWPPBQSA-N 2 1 360.498 3.006 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420377845 500451358 /nfs/dbraw/zinc/45/13/58/500451358.db2.gz LKDBHFCLPXRMGL-HKUYNNGSSA-N 2 1 351.560 3.450 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407018 500456934 /nfs/dbraw/zinc/45/69/34/500456934.db2.gz VCRHLPMDMOZEBM-JQHSSLGASA-N 2 1 361.555 3.048 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407018 500456936 /nfs/dbraw/zinc/45/69/36/500456936.db2.gz VCRHLPMDMOZEBM-JQHSSLGASA-N 2 1 361.555 3.048 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411139 500457527 /nfs/dbraw/zinc/45/75/27/500457527.db2.gz XFJYUQMEDIBUQO-ZLGUVYLKSA-N 2 1 370.541 3.091 20 0 FGADMP [NH3+]CC1(CC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)CCCCC1 ZINC000424218811 500470802 /nfs/dbraw/zinc/47/08/02/500470802.db2.gz XFUNPIGAJPRUAE-VQTJNVASSA-N 2 1 355.526 3.019 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428146364 500474190 /nfs/dbraw/zinc/47/41/90/500474190.db2.gz OHNGXOFVUJLHTD-GHTZIAJQSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424283360 500481233 /nfs/dbraw/zinc/48/12/33/500481233.db2.gz BLYYROFKIYGMRS-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424283360 500481235 /nfs/dbraw/zinc/48/12/35/500481235.db2.gz BLYYROFKIYGMRS-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP COc1ccc(Br)cc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292890 500482540 /nfs/dbraw/zinc/48/25/40/500482540.db2.gz OPGXMEQYTPJRKH-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323410 500486383 /nfs/dbraw/zinc/48/63/83/500486383.db2.gz VYPNFHAYJUEYSH-RTBURBONSA-N 2 1 359.539 3.109 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1O ZINC000424372940 500492990 /nfs/dbraw/zinc/49/29/90/500492990.db2.gz GCOFDMVHYZAMMN-GFCCVEGCSA-N 2 1 369.303 3.127 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424432047 500504553 /nfs/dbraw/zinc/50/45/53/500504553.db2.gz HDLLPKNLBQQKKL-LJQANCHMSA-N 2 1 352.482 3.240 20 0 FGADMP C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827063 500510698 /nfs/dbraw/zinc/51/06/98/500510698.db2.gz RARHVCPLTBZCON-GUSVMJMASA-N 2 1 372.557 3.069 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404278 500511011 /nfs/dbraw/zinc/51/10/11/500511011.db2.gz DKAHAMFWCYLMHP-IAGOWNOFSA-N 2 1 374.504 3.471 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404278 500511013 /nfs/dbraw/zinc/51/10/13/500511013.db2.gz DKAHAMFWCYLMHP-IAGOWNOFSA-N 2 1 374.504 3.471 20 0 FGADMP Cc1cc(CNC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420840744 500513700 /nfs/dbraw/zinc/51/37/00/500513700.db2.gz BGYGGPPTOLLZBA-FQEVSTJZSA-N 2 1 366.509 3.362 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420899582 500525490 /nfs/dbraw/zinc/52/54/90/500525490.db2.gz JUXDFXODWUGBFN-MWXLCCTBSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)CC1 ZINC000428702237 500546452 /nfs/dbraw/zinc/54/64/52/500546452.db2.gz USTDOMKAOGNADP-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000428702237 500546456 /nfs/dbraw/zinc/54/64/56/500546456.db2.gz USTDOMKAOGNADP-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000428702237 500546460 /nfs/dbraw/zinc/54/64/60/500546460.db2.gz USTDOMKAOGNADP-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606373 506204147 /nfs/dbraw/zinc/20/41/47/506204147.db2.gz MVTZJJRROQKWQJ-OAQYLSRUSA-N 2 1 369.557 3.233 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccnn1C ZINC000447589273 500630573 /nfs/dbraw/zinc/63/05/73/500630573.db2.gz XIXVMNODWNUMMO-OTWHNJEPSA-N 2 1 370.541 3.280 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212039 500648832 /nfs/dbraw/zinc/64/88/32/500648832.db2.gz DVRRQUPMOUBADX-HXUWFJFHSA-N 2 1 369.553 3.376 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000443067461 500673671 /nfs/dbraw/zinc/67/36/71/500673671.db2.gz GRISEPFCMCJHRA-NSHDSACASA-N 2 1 363.811 3.358 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000443067461 500673675 /nfs/dbraw/zinc/67/36/75/500673675.db2.gz GRISEPFCMCJHRA-NSHDSACASA-N 2 1 363.811 3.358 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073192 500675298 /nfs/dbraw/zinc/67/52/98/500675298.db2.gz OXZGKDOKTUXEJP-HZPDHXFCSA-N 2 1 364.559 3.258 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573564317 506212515 /nfs/dbraw/zinc/21/25/15/506212515.db2.gz DIMVJCONAZRGBP-SPUZQDLCSA-N 2 1 355.482 3.011 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573564317 506212517 /nfs/dbraw/zinc/21/25/17/506212517.db2.gz DIMVJCONAZRGBP-SPUZQDLCSA-N 2 1 355.482 3.011 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000433592034 500717974 /nfs/dbraw/zinc/71/79/74/500717974.db2.gz RLLRRMRTGFNOJS-DZUANBCISA-N 2 1 374.573 3.500 20 0 FGADMP C[C@@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000443645699 500749758 /nfs/dbraw/zinc/74/97/58/500749758.db2.gz IUGGHPFYRXMWBK-RHSMWYFYSA-N 2 1 368.953 3.218 20 0 FGADMP C[C@@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678817 500754734 /nfs/dbraw/zinc/75/47/34/500754734.db2.gz DIZWNERTNDYYSU-UYAOXDASSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424938 500759612 /nfs/dbraw/zinc/75/96/12/500759612.db2.gz HTVSOKXUEHSBLC-QFBILLFUSA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424938 500759615 /nfs/dbraw/zinc/75/96/15/500759615.db2.gz HTVSOKXUEHSBLC-QFBILLFUSA-N 2 1 365.949 3.427 20 0 FGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449118 500761130 /nfs/dbraw/zinc/76/11/30/500761130.db2.gz PCUIHGFLEWTQNI-WAOWUJCRSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449118 500761131 /nfs/dbraw/zinc/76/11/31/500761131.db2.gz PCUIHGFLEWTQNI-WAOWUJCRSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448449118 500761132 /nfs/dbraw/zinc/76/11/32/500761132.db2.gz PCUIHGFLEWTQNI-WAOWUJCRSA-N 2 1 359.558 3.116 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)C1 ZINC000448465232 500762426 /nfs/dbraw/zinc/76/24/26/500762426.db2.gz HNVIBFUNWSJZLC-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C)C1 ZINC000448465233 500762583 /nfs/dbraw/zinc/76/25/83/500762583.db2.gz HNVIBFUNWSJZLC-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCCC(C)(C)C3)sc2C1 ZINC000438322342 500769501 /nfs/dbraw/zinc/76/95/01/500769501.db2.gz CFDXGYSFANISPJ-IBGZPJMESA-N 2 1 351.560 3.331 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCCC(C)(C)C3)sc2C1 ZINC000438322342 500769502 /nfs/dbraw/zinc/76/95/02/500769502.db2.gz CFDXGYSFANISPJ-IBGZPJMESA-N 2 1 351.560 3.331 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000438479371 500790448 /nfs/dbraw/zinc/79/04/48/500790448.db2.gz PBCIPLJVBDNLCD-HXUWFJFHSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C(C)C)C2)CC1 ZINC000438479371 500790450 /nfs/dbraw/zinc/79/04/50/500790450.db2.gz PBCIPLJVBDNLCD-HXUWFJFHSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](C(C)C)C2)CC1 ZINC000438479371 500790454 /nfs/dbraw/zinc/79/04/54/500790454.db2.gz PBCIPLJVBDNLCD-HXUWFJFHSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438564682 500802345 /nfs/dbraw/zinc/80/23/45/500802345.db2.gz WFFCCNRSPNCNEH-JOCHJYFZSA-N 2 1 369.553 3.483 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434355646 500830790 /nfs/dbraw/zinc/83/07/90/500830790.db2.gz PBVBIUUGEYXIMQ-MOPGFXCFSA-N 2 1 374.529 3.123 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044752 500910066 /nfs/dbraw/zinc/91/00/66/500910066.db2.gz FMYRZOZXBVMTKI-VQIMIIECSA-N 2 1 363.933 3.093 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044752 500910068 /nfs/dbraw/zinc/91/00/68/500910068.db2.gz FMYRZOZXBVMTKI-VQIMIIECSA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044752 500910069 /nfs/dbraw/zinc/91/00/69/500910069.db2.gz FMYRZOZXBVMTKI-VQIMIIECSA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044752 500910074 /nfs/dbraw/zinc/91/00/74/500910074.db2.gz FMYRZOZXBVMTKI-VQIMIIECSA-N 2 1 363.933 3.093 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044751 500910224 /nfs/dbraw/zinc/91/02/24/500910224.db2.gz FMYRZOZXBVMTKI-QFBILLFUSA-N 2 1 363.933 3.093 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044751 500910225 /nfs/dbraw/zinc/91/02/25/500910225.db2.gz FMYRZOZXBVMTKI-QFBILLFUSA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044751 500910226 /nfs/dbraw/zinc/91/02/26/500910226.db2.gz FMYRZOZXBVMTKI-QFBILLFUSA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@H]21 ZINC000449044751 500910227 /nfs/dbraw/zinc/91/02/27/500910227.db2.gz FMYRZOZXBVMTKI-QFBILLFUSA-N 2 1 363.933 3.093 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449106382 500926379 /nfs/dbraw/zinc/92/63/79/500926379.db2.gz LQUJAIZXVDSNMZ-INIZCTEOSA-N 2 1 371.294 3.276 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)NC2CCCCC2)CC1 ZINC000449123016 500930152 /nfs/dbraw/zinc/93/01/52/500930152.db2.gz NCWAWNXRWKUJJQ-GOSISDBHSA-N 2 1 357.542 3.121 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1ccncc1 ZINC000435379596 500963700 /nfs/dbraw/zinc/96/37/00/500963700.db2.gz JUNDVIRGXCUBEE-XUVXKRRUSA-N 2 1 367.493 3.228 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OCc1cccnc1 ZINC000435383340 500964691 /nfs/dbraw/zinc/96/46/91/500964691.db2.gz GQESNHIBCQHBKZ-ZCNNSNEGSA-N 2 1 367.493 3.228 20 0 FGADMP COc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000435386837 500965343 /nfs/dbraw/zinc/96/53/43/500965343.db2.gz VOQOVPYANOUDKO-UHFFFAOYSA-N 2 1 370.493 3.467 20 0 FGADMP COc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000435386837 500965344 /nfs/dbraw/zinc/96/53/44/500965344.db2.gz VOQOVPYANOUDKO-UHFFFAOYSA-N 2 1 370.493 3.467 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435387660 500965839 /nfs/dbraw/zinc/96/58/39/500965839.db2.gz AYEUMGCDEYNJDG-DUXKGJEZSA-N 2 1 359.477 3.103 20 0 FGADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440098113 500974518 /nfs/dbraw/zinc/97/45/18/500974518.db2.gz DSLAVULAKBRGSM-JOCHJYFZSA-N 2 1 369.553 3.422 20 0 FGADMP COCC[NH+]1CCC([NH2+]C/C=C/c2ccc(Br)cc2)CC1 ZINC000449464381 501009493 /nfs/dbraw/zinc/00/94/93/501009493.db2.gz YBJDJYREQFCXRF-NSCUHMNNSA-N 2 1 353.304 3.163 20 0 FGADMP Fc1cccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435694062 501013402 /nfs/dbraw/zinc/01/34/02/501013402.db2.gz KONOXRWOVUWUTK-KRWDZBQOSA-N 2 1 361.486 3.305 20 0 FGADMP Fc1cccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435694062 501013404 /nfs/dbraw/zinc/01/34/04/501013404.db2.gz KONOXRWOVUWUTK-KRWDZBQOSA-N 2 1 361.486 3.305 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491876 501016973 /nfs/dbraw/zinc/01/69/73/501016973.db2.gz AXXGZRHZOVUPOA-QFIPXVFZSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491876 501016976 /nfs/dbraw/zinc/01/69/76/501016976.db2.gz AXXGZRHZOVUPOA-QFIPXVFZSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491876 501016979 /nfs/dbraw/zinc/01/69/79/501016979.db2.gz AXXGZRHZOVUPOA-QFIPXVFZSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491876 501016980 /nfs/dbraw/zinc/01/69/80/501016980.db2.gz AXXGZRHZOVUPOA-QFIPXVFZSA-N 2 1 357.542 3.070 20 0 FGADMP OC[C@@H]([C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1)C1CC1 ZINC000449514054 501022632 /nfs/dbraw/zinc/02/26/32/501022632.db2.gz XLAUIOJJKJBGHU-YADHBBJMSA-N 2 1 360.517 3.219 20 0 FGADMP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@@H]2CC[N@H+]4CCC[C@H]4C2)C3)c(F)c1 ZINC000449548437 501030241 /nfs/dbraw/zinc/03/02/41/501030241.db2.gz NHYRWEMDCXTTIW-IKGGRYGDSA-N 2 1 372.463 3.360 20 0 FGADMP COCC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(C(F)(F)F)c1 ZINC000449559061 501033909 /nfs/dbraw/zinc/03/39/09/501033909.db2.gz XQTMNJUEGSLCDD-SFHVURJKSA-N 2 1 374.447 3.483 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH]n1 ZINC000440797272 501049025 /nfs/dbraw/zinc/04/90/25/501049025.db2.gz DRXZHDRYSSKQFA-LBPRGKRZSA-N 2 1 358.433 3.492 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]n1 ZINC000440797272 501049030 /nfs/dbraw/zinc/04/90/30/501049030.db2.gz DRXZHDRYSSKQFA-LBPRGKRZSA-N 2 1 358.433 3.492 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440796472 501049167 /nfs/dbraw/zinc/04/91/67/501049167.db2.gz LCGJRRMIHZUMTO-VIQWUECVSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446136227 501080230 /nfs/dbraw/zinc/08/02/30/501080230.db2.gz FCOKAZLPXCGMCT-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449770397 501082547 /nfs/dbraw/zinc/08/25/47/501082547.db2.gz IQOLMGAFPNSFIJ-WLRLJWMZSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449770397 501082548 /nfs/dbraw/zinc/08/25/48/501082548.db2.gz IQOLMGAFPNSFIJ-WLRLJWMZSA-N 2 1 368.525 3.283 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450342377 501095610 /nfs/dbraw/zinc/09/56/10/501095610.db2.gz AASAKHMYUPNGDW-UHFFFAOYSA-N 2 1 353.514 3.032 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450342377 501095613 /nfs/dbraw/zinc/09/56/13/501095613.db2.gz AASAKHMYUPNGDW-UHFFFAOYSA-N 2 1 353.514 3.032 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356272 501126142 /nfs/dbraw/zinc/12/61/42/501126142.db2.gz LOJBQAXDQSXBMK-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356272 501126146 /nfs/dbraw/zinc/12/61/46/501126146.db2.gz LOJBQAXDQSXBMK-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356272 501126149 /nfs/dbraw/zinc/12/61/49/501126149.db2.gz LOJBQAXDQSXBMK-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356272 501126151 /nfs/dbraw/zinc/12/61/51/501126151.db2.gz LOJBQAXDQSXBMK-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2cc1O ZINC000436536773 501151018 /nfs/dbraw/zinc/15/10/18/501151018.db2.gz QFVCEFOXWAQSSG-LJQANCHMSA-N 2 1 369.509 3.034 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CC[N@@H+](C)[C@H]4C3)c2c1C ZINC000450785245 501208177 /nfs/dbraw/zinc/20/81/77/501208177.db2.gz FEUAHWLEPWGQQK-CVEARBPZSA-N 2 1 371.554 3.044 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CC[N@H+](C)[C@H]4C3)c2c1C ZINC000450785245 501208179 /nfs/dbraw/zinc/20/81/79/501208179.db2.gz FEUAHWLEPWGQQK-CVEARBPZSA-N 2 1 371.554 3.044 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871728 501221700 /nfs/dbraw/zinc/22/17/00/501221700.db2.gz HOMTYPFKDIVIRE-VXKWHMMOSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871728 501221703 /nfs/dbraw/zinc/22/17/03/501221703.db2.gz HOMTYPFKDIVIRE-VXKWHMMOSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000450871728 501221704 /nfs/dbraw/zinc/22/17/04/501221704.db2.gz HOMTYPFKDIVIRE-VXKWHMMOSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000450871728 501221706 /nfs/dbraw/zinc/22/17/06/501221706.db2.gz HOMTYPFKDIVIRE-VXKWHMMOSA-N 2 1 353.510 3.093 20 0 FGADMP COCCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453077057 501263936 /nfs/dbraw/zinc/26/39/36/501263936.db2.gz VYYQYZNLCGTBRO-YTFSRNRJSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453077057 501263939 /nfs/dbraw/zinc/26/39/39/501263939.db2.gz VYYQYZNLCGTBRO-YTFSRNRJSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453077057 501263941 /nfs/dbraw/zinc/26/39/41/501263941.db2.gz VYYQYZNLCGTBRO-YTFSRNRJSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453083721 501265041 /nfs/dbraw/zinc/26/50/41/501265041.db2.gz GHGYGSOKLWPCGD-CWJKEVGVSA-N 2 1 355.526 3.030 20 0 FGADMP CC[C@@H](CC(F)F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000457620571 501269787 /nfs/dbraw/zinc/26/97/87/501269787.db2.gz FAJMHGQJEMFANJ-KRWDZBQOSA-N 2 1 373.532 3.323 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110747 501271707 /nfs/dbraw/zinc/27/17/07/501271707.db2.gz OIMCPZDARSPLHT-FGZHOGPDSA-N 2 1 369.553 3.442 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453117889 501272687 /nfs/dbraw/zinc/27/26/87/501272687.db2.gz ALWHFIOYQWMACG-MSOLQXFVSA-N 2 1 364.921 3.109 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453117919 501272715 /nfs/dbraw/zinc/27/27/15/501272715.db2.gz ALWHFIOYQWMACG-ZWKOTPCHSA-N 2 1 364.921 3.109 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455327741 501272748 /nfs/dbraw/zinc/27/27/48/501272748.db2.gz HKSMFGVIXQTMIS-KRWDZBQOSA-N 2 1 369.513 3.318 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119892 501272963 /nfs/dbraw/zinc/27/29/63/501272963.db2.gz JPSVQRUMAIEFFN-LADGPHEKSA-N 2 1 364.533 3.407 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119892 501272964 /nfs/dbraw/zinc/27/29/64/501272964.db2.gz JPSVQRUMAIEFFN-LADGPHEKSA-N 2 1 364.533 3.407 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453234859 501295422 /nfs/dbraw/zinc/29/54/22/501295422.db2.gz XECXJBMXLVESJT-CEMLEFRQSA-N 2 1 350.510 3.360 20 0 FGADMP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453250326 501299456 /nfs/dbraw/zinc/29/94/56/501299456.db2.gz HCZURQDIIOKPCM-DXBBTUNJSA-N 2 1 360.542 3.054 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC(=O)Nc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000455474006 501312556 /nfs/dbraw/zinc/31/25/56/501312556.db2.gz CYBXGVVDYWMGBR-QAPCUYQASA-N 2 1 362.518 3.265 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453316728 501313778 /nfs/dbraw/zinc/31/37/78/501313778.db2.gz JXRDZWHOIQOYDD-GNJRFXKQSA-N 2 1 372.553 3.318 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H](C)C1 ZINC000453385966 501323548 /nfs/dbraw/zinc/32/35/48/501323548.db2.gz VJXGRVDMPOKOMD-YOUFYPILSA-N 2 1 361.530 3.028 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H](C)C1 ZINC000453385959 501323884 /nfs/dbraw/zinc/32/38/84/501323884.db2.gz VJXGRVDMPOKOMD-ANTGDGSKSA-N 2 1 361.530 3.028 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]CCCC[N@H+](C)C3CC3)cnc12 ZINC000453599439 501358121 /nfs/dbraw/zinc/35/81/21/501358121.db2.gz REWJIICCFRVUAU-UHFFFAOYSA-N 2 1 365.319 3.369 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000453621034 501364267 /nfs/dbraw/zinc/36/42/67/501364267.db2.gz LPFNJKGZVLAPCW-HXUWFJFHSA-N 2 1 356.470 3.129 20 0 FGADMP C(CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451898196 501396033 /nfs/dbraw/zinc/39/60/33/501396033.db2.gz IWGJZXXOSXKIKZ-NHCUHLMSSA-N 2 1 350.547 3.162 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025218 501421103 /nfs/dbraw/zinc/42/11/03/501421103.db2.gz QRNOLDBKCAKFTL-OKZBNKHCSA-N 2 1 355.448 3.091 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982404 501431688 /nfs/dbraw/zinc/43/16/88/501431688.db2.gz LOOQSEOHEVTPLO-HXUWFJFHSA-N 2 1 369.513 3.115 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458449826 501446530 /nfs/dbraw/zinc/44/65/30/501446530.db2.gz YVVUVBOEWPWSAP-GOSISDBHSA-N 2 1 366.575 3.086 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519180 501464576 /nfs/dbraw/zinc/46/45/76/501464576.db2.gz WCDFCTBHJUHCAR-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519180 501464577 /nfs/dbraw/zinc/46/45/77/501464577.db2.gz WCDFCTBHJUHCAR-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519180 501464581 /nfs/dbraw/zinc/46/45/81/501464581.db2.gz WCDFCTBHJUHCAR-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP Cn1ccnc1[C@H]1N(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000454204770 501481889 /nfs/dbraw/zinc/48/18/89/501481889.db2.gz FBQRZWORPPICHO-QGZVFWFLSA-N 2 1 361.534 3.167 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458663788 501501964 /nfs/dbraw/zinc/50/19/64/501501964.db2.gz FUAYYMBDBIBAKB-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458984355 501571435 /nfs/dbraw/zinc/57/14/35/501571435.db2.gz WUOACKAMEIYGFG-UHFFFAOYSA-N 2 1 372.557 3.213 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1 ZINC000452982142 501595972 /nfs/dbraw/zinc/59/59/72/501595972.db2.gz XNKKUVKHYZRTPG-FCHUYYIVSA-N 2 1 363.505 3.095 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000452982142 501595974 /nfs/dbraw/zinc/59/59/74/501595974.db2.gz XNKKUVKHYZRTPG-FCHUYYIVSA-N 2 1 363.505 3.095 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000452982142 501595976 /nfs/dbraw/zinc/59/59/76/501595976.db2.gz XNKKUVKHYZRTPG-FCHUYYIVSA-N 2 1 363.505 3.095 20 0 FGADMP COC(=O)c1cccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000459366211 501640025 /nfs/dbraw/zinc/64/00/25/501640025.db2.gz NOSAZSVKCFFGPL-KRWDZBQOSA-N 2 1 359.514 3.345 20 0 FGADMP COC(=O)c1cccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000459366211 501640027 /nfs/dbraw/zinc/64/00/27/501640027.db2.gz NOSAZSVKCFFGPL-KRWDZBQOSA-N 2 1 359.514 3.345 20 0 FGADMP c1ccc(CN2CC[C@@H]([NH+]3CCC(CCCN4CCOCC4)CC3)C2)cc1 ZINC000459411275 501649225 /nfs/dbraw/zinc/64/92/25/501649225.db2.gz OCLNOMVKRRZBED-HSZRJFAPSA-N 2 1 371.569 3.085 20 0 FGADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000459474529 501659689 /nfs/dbraw/zinc/65/96/89/501659689.db2.gz YATCQRJWSCEFRF-QUCCMNQESA-N 2 1 367.459 3.456 20 0 FGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000459721094 501703771 /nfs/dbraw/zinc/70/37/71/501703771.db2.gz AONADJLDHFITPS-AWEZNQCLSA-N 2 1 360.420 3.458 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724397 501704162 /nfs/dbraw/zinc/70/41/62/501704162.db2.gz ASZWJLTVCDLRCV-DLBZAZTESA-N 2 1 365.949 3.399 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000459730580 501705935 /nfs/dbraw/zinc/70/59/35/501705935.db2.gz DVUOMGUGQVDZMS-ZDUSSCGKSA-N 2 1 368.312 3.396 20 0 FGADMP C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459772494 501711973 /nfs/dbraw/zinc/71/19/73/501711973.db2.gz OHUUUXKBAIYPIX-XLIONFOSSA-N 2 1 355.526 3.078 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000457518252 501715280 /nfs/dbraw/zinc/71/52/80/501715280.db2.gz DJZZYQBYUSNOAJ-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457536327 501718479 /nfs/dbraw/zinc/71/84/79/501718479.db2.gz VIAYPAJCHXIQLB-FQEVSTJZSA-N 2 1 360.546 3.153 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000460150975 501742353 /nfs/dbraw/zinc/74/23/53/501742353.db2.gz UEUVRKRAJSUPJD-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP Fc1cncc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000467307042 501766568 /nfs/dbraw/zinc/76/65/68/501766568.db2.gz RHZMTNFEGDBPFZ-OAQYLSRUSA-N 2 1 355.457 3.294 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1I ZINC000467388541 501782628 /nfs/dbraw/zinc/78/26/28/501782628.db2.gz LWVXYWJAVGJSNH-GXTWGEPZSA-N 2 1 358.267 3.172 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000467410704 501787168 /nfs/dbraw/zinc/78/71/68/501787168.db2.gz JTHLMIDLUVKSND-UHFFFAOYSA-N 2 1 351.922 3.141 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470741377 501788280 /nfs/dbraw/zinc/78/82/80/501788280.db2.gz WLHKZHAWMFKPSW-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470752964 501791321 /nfs/dbraw/zinc/79/13/21/501791321.db2.gz CLADIQDKBFFPNA-NRFANRHFSA-N 2 1 374.573 3.411 20 0 FGADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385785 501811166 /nfs/dbraw/zinc/81/11/66/501811166.db2.gz GCWSVTBCFSEHOF-MOPGFXCFSA-N 2 1 363.571 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000460400617 501814735 /nfs/dbraw/zinc/81/47/35/501814735.db2.gz LIZFGNZKULEANY-AGHHOFFYSA-N 2 1 351.494 3.099 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477918645 501828901 /nfs/dbraw/zinc/82/89/01/501828901.db2.gz VTSMIQJQIXQEPL-NRFANRHFSA-N 2 1 359.558 3.080 20 0 FGADMP O[C@]1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000481664197 501843379 /nfs/dbraw/zinc/84/33/79/501843379.db2.gz WJAIYBHJCINBIJ-YADHBBJMSA-N 2 1 351.494 3.149 20 0 FGADMP O[C@]1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000481664197 501843380 /nfs/dbraw/zinc/84/33/80/501843380.db2.gz WJAIYBHJCINBIJ-YADHBBJMSA-N 2 1 351.494 3.149 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000467700772 501848110 /nfs/dbraw/zinc/84/81/10/501848110.db2.gz NRGREKKMLXDYJP-HLAWJBBLSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700772 501848114 /nfs/dbraw/zinc/84/81/14/501848114.db2.gz NRGREKKMLXDYJP-HLAWJBBLSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700772 501848118 /nfs/dbraw/zinc/84/81/18/501848118.db2.gz NRGREKKMLXDYJP-HLAWJBBLSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474707994 501928532 /nfs/dbraw/zinc/92/85/32/501928532.db2.gz KZGMQTZKGNFQKE-FQEVSTJZSA-N 2 1 361.505 3.121 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474707994 501928539 /nfs/dbraw/zinc/92/85/39/501928539.db2.gz KZGMQTZKGNFQKE-FQEVSTJZSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471140668 501932210 /nfs/dbraw/zinc/93/22/10/501932210.db2.gz CIBYANYPQQISLJ-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP C[NH+](C)CCN(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000468024234 501933275 /nfs/dbraw/zinc/93/32/75/501933275.db2.gz JJDQRDMUJWGLFE-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474755915 501943278 /nfs/dbraw/zinc/94/32/78/501943278.db2.gz KPSXQDASQPNWCP-HXUWFJFHSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474755915 501943284 /nfs/dbraw/zinc/94/32/84/501943284.db2.gz KPSXQDASQPNWCP-HXUWFJFHSA-N 2 1 361.505 3.172 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CNc2nc(C)[nH+]c(C)c2C)cc1OC ZINC000474791735 501954182 /nfs/dbraw/zinc/95/41/82/501954182.db2.gz RQTTVFWQZSRUPX-UHFFFAOYSA-N 2 1 372.513 3.165 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000474879406 501979268 /nfs/dbraw/zinc/97/92/68/501979268.db2.gz PVHPSJVOTSYUIX-UHFFFAOYSA-N 2 1 374.529 3.164 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@H]32)CC1 ZINC000485910713 501984875 /nfs/dbraw/zinc/98/48/75/501984875.db2.gz XRQWYCGKNDKLIK-BHDDXSALSA-N 2 1 369.553 3.245 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000482134192 501984904 /nfs/dbraw/zinc/98/49/04/501984904.db2.gz BFOZXFUASACETC-HOCLYGCPSA-N 2 1 352.910 3.164 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1sccc1C ZINC000482148191 501990479 /nfs/dbraw/zinc/99/04/79/501990479.db2.gz YWSAZBFOMYBJML-IAGOWNOFSA-N 2 1 351.560 3.163 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000475036744 502029627 /nfs/dbraw/zinc/02/96/27/502029627.db2.gz ZGZHTDIEWCVMPS-HXUWFJFHSA-N 2 1 365.477 3.284 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000475036744 502029632 /nfs/dbraw/zinc/02/96/32/502029632.db2.gz ZGZHTDIEWCVMPS-HXUWFJFHSA-N 2 1 365.477 3.284 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475098626 502057277 /nfs/dbraw/zinc/05/72/77/502057277.db2.gz TZPNJRXJOSOZKB-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475100681 502058954 /nfs/dbraw/zinc/05/89/54/502058954.db2.gz KACXEBGRGSCLHO-VQTJNVASSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000475112912 502064086 /nfs/dbraw/zinc/06/40/86/502064086.db2.gz UMSUEHHVDHZTML-ROUUACIJSA-N 2 1 364.578 3.346 20 0 FGADMP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475155551 502084324 /nfs/dbraw/zinc/08/43/24/502084324.db2.gz KVHFZMGCRUPFGU-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475155551 502084331 /nfs/dbraw/zinc/08/43/31/502084331.db2.gz KVHFZMGCRUPFGU-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475155551 502084333 /nfs/dbraw/zinc/08/43/33/502084333.db2.gz KVHFZMGCRUPFGU-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCC[NH+]1CCC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475169122 502088816 /nfs/dbraw/zinc/08/88/16/502088816.db2.gz JPLFAYIQHIDAPU-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169122 502088820 /nfs/dbraw/zinc/08/88/20/502088820.db2.gz JPLFAYIQHIDAPU-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169122 502088826 /nfs/dbraw/zinc/08/88/26/502088826.db2.gz JPLFAYIQHIDAPU-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000468552031 502102841 /nfs/dbraw/zinc/10/28/41/502102841.db2.gz FTPCFBAXYSYNOW-AUSIDOKSSA-N 2 1 368.521 3.243 20 0 FGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000468552031 502102849 /nfs/dbraw/zinc/10/28/49/502102849.db2.gz FTPCFBAXYSYNOW-AUSIDOKSSA-N 2 1 368.521 3.243 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@H](COC)C2)CC1 ZINC000468695609 502150524 /nfs/dbraw/zinc/15/05/24/502150524.db2.gz GQJPWPKHHZWTIA-FQEVSTJZSA-N 2 1 359.558 3.467 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955438 502156041 /nfs/dbraw/zinc/15/60/41/502156041.db2.gz UNLPVGYBLCGONA-QKNQBKEWSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955438 502156045 /nfs/dbraw/zinc/15/60/45/502156045.db2.gz UNLPVGYBLCGONA-QKNQBKEWSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955438 502156052 /nfs/dbraw/zinc/15/60/52/502156052.db2.gz UNLPVGYBLCGONA-QKNQBKEWSA-N 2 1 372.557 3.099 20 0 FGADMP [NH3+]C[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227241 502198808 /nfs/dbraw/zinc/19/88/08/502198808.db2.gz SZALSALCEHLMRZ-RTWAWAEBSA-N 2 1 369.484 3.039 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483000172 502240515 /nfs/dbraw/zinc/24/05/15/502240515.db2.gz UHKNDYMXRHAXTC-IBGZPJMESA-N 2 1 366.594 3.451 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150682 502249385 /nfs/dbraw/zinc/24/93/85/502249385.db2.gz FEHBUZOGQPTRJF-FDFHNCONSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000472150682 502249388 /nfs/dbraw/zinc/24/93/88/502249388.db2.gz FEHBUZOGQPTRJF-FDFHNCONSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000472150682 502249390 /nfs/dbraw/zinc/24/93/90/502249390.db2.gz FEHBUZOGQPTRJF-FDFHNCONSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000479456140 502265640 /nfs/dbraw/zinc/26/56/40/502265640.db2.gz PCBOSHCTCQHIMR-DLBZAZTESA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000479456140 502265643 /nfs/dbraw/zinc/26/56/43/502265643.db2.gz PCBOSHCTCQHIMR-DLBZAZTESA-N 2 1 355.320 3.193 20 0 FGADMP COC(=O)c1coc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000602800494 506303642 /nfs/dbraw/zinc/30/36/42/506303642.db2.gz WXSAVWWTHLDRMJ-HNNXBMFYSA-N 2 1 372.469 3.156 20 0 FGADMP COC(=O)c1coc([C@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000602800494 506303650 /nfs/dbraw/zinc/30/36/50/506303650.db2.gz WXSAVWWTHLDRMJ-HNNXBMFYSA-N 2 1 372.469 3.156 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486831094 502278459 /nfs/dbraw/zinc/27/84/59/502278459.db2.gz FIFPKTMOYUWWFZ-WIYYLYMNSA-N 2 1 363.465 3.295 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000486831094 502278467 /nfs/dbraw/zinc/27/84/67/502278467.db2.gz FIFPKTMOYUWWFZ-WIYYLYMNSA-N 2 1 363.465 3.295 20 0 FGADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1c1ccccc1 ZINC000472236800 502280621 /nfs/dbraw/zinc/28/06/21/502280621.db2.gz CBQSQZADOYCYNR-RXVVDRJESA-N 2 1 357.542 3.103 20 0 FGADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1c1ccccc1 ZINC000472236798 502280928 /nfs/dbraw/zinc/28/09/28/502280928.db2.gz CBQSQZADOYCYNR-GHTZIAJQSA-N 2 1 357.542 3.103 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259595 502288719 /nfs/dbraw/zinc/28/87/19/502288719.db2.gz MHBUEPRCDJAODF-LSDHHAIUSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259595 502288723 /nfs/dbraw/zinc/28/87/23/502288723.db2.gz MHBUEPRCDJAODF-LSDHHAIUSA-N 2 1 364.515 3.292 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000483147811 502291415 /nfs/dbraw/zinc/29/14/15/502291415.db2.gz SKFXCADURBXPJE-NQIIRXRSSA-N 2 1 356.514 3.099 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273339 502294635 /nfs/dbraw/zinc/29/46/35/502294635.db2.gz GWIXGAOEKCEZJX-YJBOKZPZSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273339 502294637 /nfs/dbraw/zinc/29/46/37/502294637.db2.gz GWIXGAOEKCEZJX-YJBOKZPZSA-N 2 1 367.921 3.100 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534701 502294801 /nfs/dbraw/zinc/29/48/01/502294801.db2.gz SOHKJXFVQWXWBE-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465534701 502294804 /nfs/dbraw/zinc/29/48/04/502294804.db2.gz SOHKJXFVQWXWBE-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465534701 502294806 /nfs/dbraw/zinc/29/48/06/502294806.db2.gz SOHKJXFVQWXWBE-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1cc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000462095946 502305238 /nfs/dbraw/zinc/30/52/38/502305238.db2.gz XXVKIQOZGITYKL-IBGZPJMESA-N 2 1 353.514 3.337 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606866 502323425 /nfs/dbraw/zinc/32/34/25/502323425.db2.gz QYGFYXXGFJEZIO-ICSRJNTNSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465606866 502323431 /nfs/dbraw/zinc/32/34/31/502323431.db2.gz QYGFYXXGFJEZIO-ICSRJNTNSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465606866 502323435 /nfs/dbraw/zinc/32/34/35/502323435.db2.gz QYGFYXXGFJEZIO-ICSRJNTNSA-N 2 1 364.578 3.062 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006374 502329208 /nfs/dbraw/zinc/32/92/08/502329208.db2.gz NFRMUWDOEQPCRT-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006374 502329212 /nfs/dbraw/zinc/32/92/12/502329212.db2.gz NFRMUWDOEQPCRT-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006374 502329219 /nfs/dbraw/zinc/32/92/19/502329219.db2.gz NFRMUWDOEQPCRT-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCN(CC)c2ccccc2)C1 ZINC000465626628 502330314 /nfs/dbraw/zinc/33/03/14/502330314.db2.gz JAKOHJIIIQUSNU-LJQANCHMSA-N 2 1 360.546 3.276 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000462191208 502342673 /nfs/dbraw/zinc/34/26/73/502342673.db2.gz VDTNDGVPLWCKGE-XQBPLPMBSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000462191208 502342677 /nfs/dbraw/zinc/34/26/77/502342677.db2.gz VDTNDGVPLWCKGE-XQBPLPMBSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191208 502342684 /nfs/dbraw/zinc/34/26/84/502342684.db2.gz VDTNDGVPLWCKGE-XQBPLPMBSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191208 502342687 /nfs/dbraw/zinc/34/26/87/502342687.db2.gz VDTNDGVPLWCKGE-XQBPLPMBSA-N 2 1 365.521 3.144 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000465743218 502366961 /nfs/dbraw/zinc/36/69/61/502366961.db2.gz PMCYLVWTIVQEAW-WAPOTWQKSA-N 2 1 364.578 3.010 20 0 FGADMP Cc1ccc(CNC(=O)C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000472577002 502389361 /nfs/dbraw/zinc/38/93/61/502389361.db2.gz AYCBOBHFOQBMTG-OAQYLSRUSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483507137 502414135 /nfs/dbraw/zinc/41/41/35/502414135.db2.gz HWDCLKSUKSFUSL-UTKZUKDTSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000483507137 502414139 /nfs/dbraw/zinc/41/41/39/502414139.db2.gz HWDCLKSUKSFUSL-UTKZUKDTSA-N 2 1 351.494 3.139 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000483513097 502416808 /nfs/dbraw/zinc/41/68/08/502416808.db2.gz BGNYTCRBNQEHQL-WMQCIHAUSA-N 2 1 374.573 3.366 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000465906563 502423359 /nfs/dbraw/zinc/42/33/59/502423359.db2.gz YIPTUHOAGNBSNE-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000465928077 502430418 /nfs/dbraw/zinc/43/04/18/502430418.db2.gz QWLVAEJMWKDDDY-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000483566136 502432610 /nfs/dbraw/zinc/43/26/10/502432610.db2.gz VZVKQPINYFHAIW-RTWAWAEBSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483566136 502432616 /nfs/dbraw/zinc/43/26/16/502432616.db2.gz VZVKQPINYFHAIW-RTWAWAEBSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483566136 502432623 /nfs/dbraw/zinc/43/26/23/502432623.db2.gz VZVKQPINYFHAIW-RTWAWAEBSA-N 2 1 357.542 3.475 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@H+]1C ZINC000487418111 502438949 /nfs/dbraw/zinc/43/89/49/502438949.db2.gz WXIJIRIKVSSFKP-SOAGJPPSSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000469523063 502450448 /nfs/dbraw/zinc/45/04/48/502450448.db2.gz CNDXDKNIOKNUEF-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523063 502450452 /nfs/dbraw/zinc/45/04/52/502450452.db2.gz CNDXDKNIOKNUEF-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523063 502450459 /nfs/dbraw/zinc/45/04/59/502450459.db2.gz CNDXDKNIOKNUEF-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469523063 502450466 /nfs/dbraw/zinc/45/04/66/502450466.db2.gz CNDXDKNIOKNUEF-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469523063 502450469 /nfs/dbraw/zinc/45/04/69/502450469.db2.gz CNDXDKNIOKNUEF-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@@H]1C ZINC000483682951 502461834 /nfs/dbraw/zinc/46/18/34/502461834.db2.gz LDBCEFXRVZMFJB-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCNc2cccc(C)n2)cc1)C1CC1 ZINC000469575750 502468312 /nfs/dbraw/zinc/46/83/12/502468312.db2.gz BCSCMNAIRGETDQ-UHFFFAOYSA-N 2 1 352.482 3.216 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1)C1CC1 ZINC000469575750 502468322 /nfs/dbraw/zinc/46/83/22/502468322.db2.gz BCSCMNAIRGETDQ-UHFFFAOYSA-N 2 1 352.482 3.216 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000476456407 502494174 /nfs/dbraw/zinc/49/41/74/502494174.db2.gz DCWOPRMOOYTESA-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000483795824 502495427 /nfs/dbraw/zinc/49/54/27/502495427.db2.gz BMKWXYQISHFTDE-GUDVDZBRSA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000483795824 502495429 /nfs/dbraw/zinc/49/54/29/502495429.db2.gz BMKWXYQISHFTDE-GUDVDZBRSA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000483795824 502495431 /nfs/dbraw/zinc/49/54/31/502495431.db2.gz BMKWXYQISHFTDE-GUDVDZBRSA-N 2 1 352.567 3.155 20 0 FGADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191338 502496977 /nfs/dbraw/zinc/49/69/77/502496977.db2.gz OHFPYUPCYSNKRQ-KGLIPLIRSA-N 2 1 365.424 3.036 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)[NH+]1CCCC1 ZINC000476481362 502501008 /nfs/dbraw/zinc/50/10/08/502501008.db2.gz BODOURAOCDYODV-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1C ZINC000473131350 502523270 /nfs/dbraw/zinc/52/32/70/502523270.db2.gz GLXRYGVDRFWZTO-JTSKRJEESA-N 2 1 354.542 3.243 20 0 FGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1C ZINC000473131350 502523275 /nfs/dbraw/zinc/52/32/75/502523275.db2.gz GLXRYGVDRFWZTO-JTSKRJEESA-N 2 1 354.542 3.243 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753389 502533027 /nfs/dbraw/zinc/53/30/27/502533027.db2.gz SNYFCEOLCJUSKG-IAGOWNOFSA-N 2 1 371.447 3.299 20 0 FGADMP CCc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000469764045 502536479 /nfs/dbraw/zinc/53/64/79/502536479.db2.gz MTKZMIYOGSBWBK-RTBURBONSA-N 2 1 360.542 3.339 20 0 FGADMP CCCCN(CC)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000469783974 502544814 /nfs/dbraw/zinc/54/48/14/502544814.db2.gz SRLNBGDFDNVSJT-RTBURBONSA-N 2 1 359.558 3.381 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466396949 502557890 /nfs/dbraw/zinc/55/78/90/502557890.db2.gz SAOHAPCSBRCNIO-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396949 502557892 /nfs/dbraw/zinc/55/78/92/502557892.db2.gz SAOHAPCSBRCNIO-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396949 502557896 /nfs/dbraw/zinc/55/78/96/502557896.db2.gz SAOHAPCSBRCNIO-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000473290381 502560364 /nfs/dbraw/zinc/56/03/64/502560364.db2.gz GQIGZFYWVLDYKK-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000473290381 502560373 /nfs/dbraw/zinc/56/03/73/502560373.db2.gz GQIGZFYWVLDYKK-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000473290381 502560378 /nfs/dbraw/zinc/56/03/78/502560378.db2.gz GQIGZFYWVLDYKK-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466517910 502594906 /nfs/dbraw/zinc/59/49/06/502594906.db2.gz KUPPLPOYCVNPCD-RXVVDRJESA-N 2 1 372.557 3.261 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173135 502646480 /nfs/dbraw/zinc/64/64/80/502646480.db2.gz BTNLNPRLRZNCLH-CVEARBPZSA-N 2 1 355.482 3.493 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000463061812 502679848 /nfs/dbraw/zinc/67/98/48/502679848.db2.gz LHSKAEJWJPAAMV-XUVXKRRUSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000463061812 502679855 /nfs/dbraw/zinc/67/98/55/502679855.db2.gz LHSKAEJWJPAAMV-XUVXKRRUSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000463061812 502679859 /nfs/dbraw/zinc/67/98/59/502679859.db2.gz LHSKAEJWJPAAMV-XUVXKRRUSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115217 502699168 /nfs/dbraw/zinc/69/91/68/502699168.db2.gz XEINZEXEAUJLCV-GHTZIAJQSA-N 2 1 354.494 3.200 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)CC1 ZINC000480915200 502704182 /nfs/dbraw/zinc/70/41/82/502704182.db2.gz WTFVELHMOXVXQO-JOCHJYFZSA-N 2 1 353.485 3.350 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477217019 502709208 /nfs/dbraw/zinc/70/92/08/502709208.db2.gz CFGZJGYJOHDSJG-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693543 502710267 /nfs/dbraw/zinc/71/02/67/502710267.db2.gz GNTYMIOKMFIJRZ-FCGDIQPGSA-N 2 1 364.578 3.011 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232875 502711446 /nfs/dbraw/zinc/71/14/46/502711446.db2.gz IAJQVIMQSIPNRX-VQIMIIECSA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232875 502711452 /nfs/dbraw/zinc/71/14/52/502711452.db2.gz IAJQVIMQSIPNRX-VQIMIIECSA-N 2 1 363.933 3.133 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000484729799 502723392 /nfs/dbraw/zinc/72/33/92/502723392.db2.gz NTXHOTITYXEIHK-OWYHZJEWSA-N 2 1 352.906 3.244 20 0 FGADMP O[C@H](C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21)C[NH+]1CCCC1 ZINC000481025078 502731390 /nfs/dbraw/zinc/73/13/90/502731390.db2.gz POXWQCVDKCBWCK-SJORKVTESA-N 2 1 357.523 3.234 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481025483 502731633 /nfs/dbraw/zinc/73/16/33/502731633.db2.gz PKBTWDOGQWRFKJ-UFYCRDLUSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481025483 502731639 /nfs/dbraw/zinc/73/16/39/502731639.db2.gz PKBTWDOGQWRFKJ-UFYCRDLUSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@@H](C)C1 ZINC000481025483 502731643 /nfs/dbraw/zinc/73/16/43/502731643.db2.gz PKBTWDOGQWRFKJ-UFYCRDLUSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104931 502754975 /nfs/dbraw/zinc/75/49/75/502754975.db2.gz JRFQNUKSULSZOH-JTAQYXEDSA-N 2 1 373.585 3.160 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104931 502754978 /nfs/dbraw/zinc/75/49/78/502754978.db2.gz JRFQNUKSULSZOH-JTAQYXEDSA-N 2 1 373.585 3.160 20 0 FGADMP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957589 502761708 /nfs/dbraw/zinc/76/17/08/502761708.db2.gz HOHHGFXCXFXHQB-BBTUJRGHSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957589 502761712 /nfs/dbraw/zinc/76/17/12/502761712.db2.gz HOHHGFXCXFXHQB-BBTUJRGHSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957589 502761718 /nfs/dbraw/zinc/76/17/18/502761718.db2.gz HOHHGFXCXFXHQB-BBTUJRGHSA-N 2 1 372.557 3.336 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962114 502787695 /nfs/dbraw/zinc/78/76/95/502787695.db2.gz LFHORRUKMJUAJF-UQASEVPWSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962114 502787699 /nfs/dbraw/zinc/78/76/99/502787699.db2.gz LFHORRUKMJUAJF-UQASEVPWSA-N 2 1 371.912 3.215 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000470485322 502791910 /nfs/dbraw/zinc/79/19/10/502791910.db2.gz YETVCQBGBLHFRW-OTWHNJEPSA-N 2 1 354.583 3.161 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)CC[N@H+]2C2CC2)c1 ZINC000495407427 502835782 /nfs/dbraw/zinc/83/57/82/502835782.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407427 502835784 /nfs/dbraw/zinc/83/57/84/502835784.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407427 502835786 /nfs/dbraw/zinc/83/57/86/502835786.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407427 502835788 /nfs/dbraw/zinc/83/57/88/502835788.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407427 502835789 /nfs/dbraw/zinc/83/57/89/502835789.db2.gz IPSOXCJFLKZCQP-HGIWEUDGSA-N 2 1 355.526 3.189 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195720 502874290 /nfs/dbraw/zinc/87/42/90/502874290.db2.gz GRMRHISHZWNLQR-QZTJIDSGSA-N 2 1 356.432 3.481 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091564 502877811 /nfs/dbraw/zinc/87/78/11/502877811.db2.gz ZPCAXOVNNBHSCV-IRLDBZIGSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489091564 502877814 /nfs/dbraw/zinc/87/78/14/502877814.db2.gz ZPCAXOVNNBHSCV-IRLDBZIGSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489091564 502877817 /nfs/dbraw/zinc/87/78/17/502877817.db2.gz ZPCAXOVNNBHSCV-IRLDBZIGSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000500855361 502879116 /nfs/dbraw/zinc/87/91/16/502879116.db2.gz AIJDZONHRATYMO-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037229 502918767 /nfs/dbraw/zinc/91/87/67/502918767.db2.gz GIUKZSMXCYMVCH-IBGZPJMESA-N 2 1 358.530 3.021 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCC[C@H]2O)CC1 ZINC000497122826 502922804 /nfs/dbraw/zinc/92/28/04/502922804.db2.gz BPXRHKQKMZVHDV-IFMALSPDSA-N 2 1 359.558 3.202 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000513397939 502926183 /nfs/dbraw/zinc/92/61/83/502926183.db2.gz PATUNYUBVGMNAA-JXAWBTAJSA-N 2 1 367.493 3.462 20 0 FGADMP C[N@H+](Cc1cccc2c1OCCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501074549 502929623 /nfs/dbraw/zinc/92/96/23/502929623.db2.gz BZOQDQAMIQSRIF-UHFFFAOYSA-N 2 1 353.466 3.201 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)C1 ZINC000509569606 502936844 /nfs/dbraw/zinc/93/68/44/502936844.db2.gz NOKWTPRYXOMSFF-OKZBNKHCSA-N 2 1 364.534 3.082 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000513445585 502941184 /nfs/dbraw/zinc/94/11/84/502941184.db2.gz VDBWWHWIKRMDNZ-GOSISDBHSA-N 2 1 368.525 3.041 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161799 502951795 /nfs/dbraw/zinc/95/17/95/502951795.db2.gz GNSYWPOGJTXGSL-SJLPKXTDSA-N 2 1 366.575 3.305 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178283 502953866 /nfs/dbraw/zinc/95/38/66/502953866.db2.gz YGQPJXCQRUFMMD-FGTMMUONSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@@H](C)C[N@H+]1C ZINC000509655036 502958610 /nfs/dbraw/zinc/95/86/10/502958610.db2.gz UVBFPAIMCWGTBM-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH+]1C ZINC000509655036 502958612 /nfs/dbraw/zinc/95/86/12/502958612.db2.gz UVBFPAIMCWGTBM-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH+]1C ZINC000509655036 502958616 /nfs/dbraw/zinc/95/86/16/502958616.db2.gz UVBFPAIMCWGTBM-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000509655042 502959117 /nfs/dbraw/zinc/95/91/17/502959117.db2.gz UVBFPAIMCWGTBM-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000509655042 502959122 /nfs/dbraw/zinc/95/91/22/502959122.db2.gz UVBFPAIMCWGTBM-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000509655042 502959125 /nfs/dbraw/zinc/95/91/25/502959125.db2.gz UVBFPAIMCWGTBM-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP COc1ccc(C(=O)CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000509665952 502962346 /nfs/dbraw/zinc/96/23/46/502962346.db2.gz MWGCCFUTDZQRLU-HDICACEKSA-N 2 1 374.525 3.089 20 0 FGADMP CN(CCC[NH+]1CCN(c2ccccc2)CC1)CC[C@H]1CCCC[N@H+]1C ZINC000509667429 502962639 /nfs/dbraw/zinc/96/26/39/502962639.db2.gz RBDCXXGDOQAAHM-OAQYLSRUSA-N 2 1 358.574 3.005 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)c(F)c1 ZINC000489470988 502967065 /nfs/dbraw/zinc/96/70/65/502967065.db2.gz ARFBRROFUNSGMC-HIFRSBDPSA-N 2 1 373.310 3.476 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1C ZINC000505719616 502972544 /nfs/dbraw/zinc/97/25/44/502972544.db2.gz MIBOHGKIDATNHF-QGZVFWFLSA-N 2 1 363.571 3.205 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(SC)ccc1C ZINC000505719615 502972669 /nfs/dbraw/zinc/97/26/69/502972669.db2.gz MIBOHGKIDATNHF-KRWDZBQOSA-N 2 1 363.571 3.205 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489565477 502987338 /nfs/dbraw/zinc/98/73/38/502987338.db2.gz ZRXOCRZGNQCBPN-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CCN(CC(F)F)CC1 ZINC000497582852 502993050 /nfs/dbraw/zinc/99/30/50/502993050.db2.gz RDYDDJNRLMWRFC-SFHVURJKSA-N 2 1 371.516 3.124 20 0 FGADMP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679235 502999051 /nfs/dbraw/zinc/99/90/51/502999051.db2.gz VRTYUPDKLSKVJK-QHAWAJNXSA-N 2 1 357.542 3.039 20 0 FGADMP CC[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000513690761 503001341 /nfs/dbraw/zinc/00/13/41/503001341.db2.gz LXURKPLSFUJWJO-NRFANRHFSA-N 2 1 371.569 3.446 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708516 503016288 /nfs/dbraw/zinc/01/62/88/503016288.db2.gz GPVSUIXIYIAEDX-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708516 503016291 /nfs/dbraw/zinc/01/62/91/503016291.db2.gz GPVSUIXIYIAEDX-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708516 503016295 /nfs/dbraw/zinc/01/62/95/503016295.db2.gz GPVSUIXIYIAEDX-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708516 503016297 /nfs/dbraw/zinc/01/62/97/503016297.db2.gz GPVSUIXIYIAEDX-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499208 503021505 /nfs/dbraw/zinc/02/15/05/503021505.db2.gz DPWKICAZDWOESR-SBHAEUEKSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000501525095 503028566 /nfs/dbraw/zinc/02/85/66/503028566.db2.gz ZIQWEZPMWGYLGU-SJORKVTESA-N 2 1 362.518 3.011 20 0 FGADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528328 503029394 /nfs/dbraw/zinc/02/93/94/503029394.db2.gz CSRADAQNBSONJN-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501533223 503030496 /nfs/dbraw/zinc/03/04/96/503030496.db2.gz IOIRDLURYAQZKZ-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501533223 503030500 /nfs/dbraw/zinc/03/05/00/503030500.db2.gz IOIRDLURYAQZKZ-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C(c3cccc4ccccc43)CC2)CC1 ZINC000513881965 503040985 /nfs/dbraw/zinc/04/09/85/503040985.db2.gz YSGGJYWTSDGOHA-UHFFFAOYSA-N 2 1 363.505 3.093 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C(c3cccc4ccccc43)CC2)CC1 ZINC000513881965 503040988 /nfs/dbraw/zinc/04/09/88/503040988.db2.gz YSGGJYWTSDGOHA-UHFFFAOYSA-N 2 1 363.505 3.093 20 0 FGADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000513892509 503042979 /nfs/dbraw/zinc/04/29/79/503042979.db2.gz AIISBISRRVKSEP-HNNXBMFYSA-N 2 1 371.447 3.252 20 0 FGADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000513892509 503042982 /nfs/dbraw/zinc/04/29/82/503042982.db2.gz AIISBISRRVKSEP-HNNXBMFYSA-N 2 1 371.447 3.252 20 0 FGADMP CCC[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908185 503064770 /nfs/dbraw/zinc/06/47/70/503064770.db2.gz OBTUAZRXBOLHSK-QGZVFWFLSA-N 2 1 371.447 3.256 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000514027653 503072314 /nfs/dbraw/zinc/07/23/14/503072314.db2.gz UZFXNWKOISMTMA-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053811 503076679 /nfs/dbraw/zinc/07/66/79/503076679.db2.gz BEFDBDNEAQWWSX-HBMCJLEFSA-N 2 1 370.541 3.058 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2C)cc1 ZINC000490011809 503089533 /nfs/dbraw/zinc/08/95/33/503089533.db2.gz HHMKOTGBUVBKLZ-JOCHJYFZSA-N 2 1 368.525 3.132 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2C)cc1 ZINC000490011809 503089537 /nfs/dbraw/zinc/08/95/37/503089537.db2.gz HHMKOTGBUVBKLZ-JOCHJYFZSA-N 2 1 368.525 3.132 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846877 503092812 /nfs/dbraw/zinc/09/28/12/503092812.db2.gz AZHPHKYHROTULX-CTNGQTDRSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@H](C[NH+]1C[C@@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000514122754 503093210 /nfs/dbraw/zinc/09/32/10/503093210.db2.gz NRJWLGBBIKMABX-FUMNGEBKSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000514142836 503097506 /nfs/dbraw/zinc/09/75/06/503097506.db2.gz XDQSYFBTLIRNPQ-KURKYZTESA-N 2 1 374.516 3.402 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000490091206 503107896 /nfs/dbraw/zinc/10/78/96/503107896.db2.gz WGFQRYADYBEUIU-GOSISDBHSA-N 2 1 364.415 3.467 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116332 503111965 /nfs/dbraw/zinc/11/19/65/503111965.db2.gz DJRNHYAGPGVKDB-PMACEKPBSA-N 2 1 357.473 3.238 20 0 FGADMP C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498128754 503112844 /nfs/dbraw/zinc/11/28/44/503112844.db2.gz WHTPSLAJZYVFQB-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490171628 503122392 /nfs/dbraw/zinc/12/23/92/503122392.db2.gz GHZIECOLGFPUAH-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cc(NC(=O)NC2CC[NH+](Cc3ccccc3)CC2)cn2cc[nH+]c12 ZINC000514584316 503140990 /nfs/dbraw/zinc/14/09/90/503140990.db2.gz QNFWUUFZGRBNAE-UHFFFAOYSA-N 2 1 363.465 3.429 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000498403648 503179328 /nfs/dbraw/zinc/17/93/28/503179328.db2.gz WFCOHJSGRBPFAP-UBNGDBJXSA-N 2 1 372.557 3.301 20 0 FGADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449968 503186825 /nfs/dbraw/zinc/18/68/25/503186825.db2.gz BKANEERENNWPQZ-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502366464 503187943 /nfs/dbraw/zinc/18/79/43/503187943.db2.gz AMVVGCZHGSZBRZ-UHFFFAOYSA-N 2 1 363.505 3.241 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502366464 503187945 /nfs/dbraw/zinc/18/79/45/503187945.db2.gz AMVVGCZHGSZBRZ-UHFFFAOYSA-N 2 1 363.505 3.241 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000510844124 503203165 /nfs/dbraw/zinc/20/31/65/503203165.db2.gz FZTPHGQNXCQZEX-CYVLTUHYSA-N 2 1 358.526 3.471 20 0 FGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000502460139 503203274 /nfs/dbraw/zinc/20/32/74/503203274.db2.gz FLPIWUVMAUODKO-QZTJIDSGSA-N 2 1 364.530 3.034 20 0 FGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000502460139 503203276 /nfs/dbraw/zinc/20/32/76/503203276.db2.gz FLPIWUVMAUODKO-QZTJIDSGSA-N 2 1 364.530 3.034 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000510915060 503216301 /nfs/dbraw/zinc/21/63/01/503216301.db2.gz QWUOJGKAUALAAS-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000511088135 503250894 /nfs/dbraw/zinc/25/08/94/503250894.db2.gz AVADUXUXORWPKV-INIZCTEOSA-N 2 1 365.477 3.447 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491020166 503261662 /nfs/dbraw/zinc/26/16/62/503261662.db2.gz NBHRIFJIGSBZDV-UGKGYDQZSA-N 2 1 373.585 3.321 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000502798888 503274814 /nfs/dbraw/zinc/27/48/14/503274814.db2.gz NWDWPEWACACHHU-PKOBYXMFSA-N 2 1 358.530 3.043 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000502837461 503284738 /nfs/dbraw/zinc/28/47/38/503284738.db2.gz ABJKMXFRNYHDRZ-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP Fc1ccccc1-c1nc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000515214103 503294793 /nfs/dbraw/zinc/29/47/93/503294793.db2.gz FEIOQQFBQYDQRA-UHFFFAOYSA-N 2 1 353.401 3.029 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000507410383 503295723 /nfs/dbraw/zinc/29/57/23/503295723.db2.gz UGTSZAFVEFUBBP-LJQANCHMSA-N 2 1 364.578 3.206 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](C)C ZINC000502897261 503302282 /nfs/dbraw/zinc/30/22/82/503302282.db2.gz WAQAMNLDEKPFRF-QFUCXCTJSA-N 2 1 372.557 3.302 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515261770 503304090 /nfs/dbraw/zinc/30/40/90/503304090.db2.gz JNNQQGQPXQEPKZ-QUCCMNQESA-N 2 1 360.546 3.243 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1cccc(F)c1 ZINC000507490102 503308294 /nfs/dbraw/zinc/30/82/94/503308294.db2.gz ZOQXHYWKPHFZII-PDGJWGCVSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cccc(F)c1 ZINC000507490102 503308298 /nfs/dbraw/zinc/30/82/98/503308298.db2.gz ZOQXHYWKPHFZII-PDGJWGCVSA-N 2 1 354.469 3.359 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)c2)C1 ZINC000507521986 503314541 /nfs/dbraw/zinc/31/45/41/503314541.db2.gz CKORTKHGYSMHGI-VSKRKVRLSA-N 2 1 369.553 3.442 20 0 FGADMP COCCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000507763275 503361985 /nfs/dbraw/zinc/36/19/85/503361985.db2.gz XQLKGDNOSFFMCL-IRLDBZIGSA-N 2 1 354.494 3.276 20 0 FGADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCC[N@H+]1C ZINC000507811950 503372033 /nfs/dbraw/zinc/37/20/33/503372033.db2.gz FTMHECCPQRJSCQ-QGZVFWFLSA-N 2 1 372.340 3.368 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000511860598 503402261 /nfs/dbraw/zinc/40/22/61/503402261.db2.gz DBNMRBMDDBLSJX-IBGZPJMESA-N 2 1 373.541 3.040 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000511911549 503413896 /nfs/dbraw/zinc/41/38/96/503413896.db2.gz UAEDRAGIOYQOHN-FQEVSTJZSA-N 2 1 360.546 3.154 20 0 FGADMP C[C@H]1CCC[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508113164 503433448 /nfs/dbraw/zinc/43/34/48/503433448.db2.gz GFUXEILGSHKAAK-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000493668194 503437710 /nfs/dbraw/zinc/43/77/10/503437710.db2.gz CDSMFNPVDDDJQV-HTAPYJJXSA-N 2 1 353.510 3.484 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c2cccs2)CC1 ZINC000493676760 503439355 /nfs/dbraw/zinc/43/93/55/503439355.db2.gz IZIXYUZHTPXUCP-QZTJIDSGSA-N 2 1 361.555 3.264 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144028 503439972 /nfs/dbraw/zinc/43/99/72/503439972.db2.gz VCUTWJPJCUZTOR-IBGZPJMESA-N 3 1 358.574 3.039 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144028 503439976 /nfs/dbraw/zinc/43/99/76/503439976.db2.gz VCUTWJPJCUZTOR-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144028 503439980 /nfs/dbraw/zinc/43/99/80/503439980.db2.gz VCUTWJPJCUZTOR-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000493734314 503442368 /nfs/dbraw/zinc/44/23/68/503442368.db2.gz FBMCRURXXHYDIJ-XXBNENTESA-N 2 1 367.537 3.300 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814728 503447654 /nfs/dbraw/zinc/44/76/54/503447654.db2.gz WKLWKRNHBPNDKU-BZSNNMDCSA-N 2 1 364.534 3.128 20 0 FGADMP C[NH+](C)Cc1cnc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000512065819 503448925 /nfs/dbraw/zinc/44/89/25/503448925.db2.gz AGRMGUQCUAZOOP-YQQQUEKLSA-N 2 1 370.566 3.490 20 0 FGADMP C[NH+](C)Cc1cnc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000512065819 503448930 /nfs/dbraw/zinc/44/89/30/503448930.db2.gz AGRMGUQCUAZOOP-YQQQUEKLSA-N 2 1 370.566 3.490 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(OC(F)(F)F)cc2)s1 ZINC000512113085 503460403 /nfs/dbraw/zinc/46/04/03/503460403.db2.gz BRSOHCHWJMQCQM-UHFFFAOYSA-N 2 1 359.417 3.436 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000516244461 503479769 /nfs/dbraw/zinc/47/97/69/503479769.db2.gz SSOKGGIMVGEMEX-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494058825 503480426 /nfs/dbraw/zinc/48/04/26/503480426.db2.gz GXZQMJMZHUROCF-DUXKGJEZSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058825 503480430 /nfs/dbraw/zinc/48/04/30/503480430.db2.gz GXZQMJMZHUROCF-DUXKGJEZSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058825 503480432 /nfs/dbraw/zinc/48/04/32/503480432.db2.gz GXZQMJMZHUROCF-DUXKGJEZSA-N 2 1 355.526 3.173 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000499914337 503510175 /nfs/dbraw/zinc/51/01/75/503510175.db2.gz SSBNWCZBLQWYFA-CQSZACIVSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000499914337 503510180 /nfs/dbraw/zinc/51/01/80/503510180.db2.gz SSBNWCZBLQWYFA-CQSZACIVSA-N 2 1 361.313 3.151 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494281141 503519087 /nfs/dbraw/zinc/51/90/87/503519087.db2.gz BTUSQEYDFKWCNE-SVMVAKDDSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494281141 503519090 /nfs/dbraw/zinc/51/90/90/503519090.db2.gz BTUSQEYDFKWCNE-SVMVAKDDSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494281141 503519093 /nfs/dbraw/zinc/51/90/93/503519093.db2.gz BTUSQEYDFKWCNE-SVMVAKDDSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294943 503522199 /nfs/dbraw/zinc/52/21/99/503522199.db2.gz FJKWMAUKLIEUBS-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494294943 503522203 /nfs/dbraw/zinc/52/22/03/503522203.db2.gz FJKWMAUKLIEUBS-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494294943 503522208 /nfs/dbraw/zinc/52/22/08/503522208.db2.gz FJKWMAUKLIEUBS-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000499966215 503523781 /nfs/dbraw/zinc/52/37/81/503523781.db2.gz APTXHKJAMCUORA-HXUWFJFHSA-N 2 1 366.594 3.262 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3CC3CCCCC3)cn2)CC1 ZINC000512379031 503531826 /nfs/dbraw/zinc/53/18/26/503531826.db2.gz DHZFZKHKWPVVQR-HXUWFJFHSA-N 2 1 357.546 3.163 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@@H]3CC3CCCCC3)cn2)CC1 ZINC000512379031 503531832 /nfs/dbraw/zinc/53/18/32/503531832.db2.gz DHZFZKHKWPVVQR-HXUWFJFHSA-N 2 1 357.546 3.163 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505071 503553557 /nfs/dbraw/zinc/55/35/57/503553557.db2.gz JFBUONQDZYIWRO-GZOSKZMVSA-N 2 1 366.347 3.346 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182981 503572990 /nfs/dbraw/zinc/57/29/90/503572990.db2.gz MIIOKXNGMYIKIJ-ZVDOUQERSA-N 2 1 374.573 3.345 20 0 FGADMP C/C=C\c1ccc(OC[C@@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543068 503579956 /nfs/dbraw/zinc/57/99/56/503579956.db2.gz YXOAXMKONUTDEG-VCKUTCFQSA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C\c1ccc(OC[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000512543068 503579960 /nfs/dbraw/zinc/57/99/60/503579960.db2.gz YXOAXMKONUTDEG-VCKUTCFQSA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C\c1ccc(OC[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000512543068 503579964 /nfs/dbraw/zinc/57/99/64/503579964.db2.gz YXOAXMKONUTDEG-VCKUTCFQSA-N 2 1 374.525 3.025 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512545453 503581471 /nfs/dbraw/zinc/58/14/71/503581471.db2.gz OFIRUMFPSOCHCU-CTNGQTDRSA-N 2 1 357.542 3.135 20 0 FGADMP C(=C/C[N@@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000494657468 503585854 /nfs/dbraw/zinc/58/58/54/503585854.db2.gz UATGBYLCOYIEOS-XFDDJKQHSA-N 2 1 362.558 3.325 20 0 FGADMP C(=C/C[N@@H+]1CCC[C@@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657468 503585858 /nfs/dbraw/zinc/58/58/58/503585858.db2.gz UATGBYLCOYIEOS-XFDDJKQHSA-N 2 1 362.558 3.325 20 0 FGADMP C(=C/C[N@H+]1CCC[C@@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657468 503585864 /nfs/dbraw/zinc/58/58/64/503585864.db2.gz UATGBYLCOYIEOS-XFDDJKQHSA-N 2 1 362.558 3.325 20 0 FGADMP CN(CC(=O)NCC1(c2ccccc2)CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512569561 503586172 /nfs/dbraw/zinc/58/61/72/503586172.db2.gz PCKXJUKJWRKANY-WCRBZPEASA-N 2 1 369.553 3.172 20 0 FGADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000512640994 503601286 /nfs/dbraw/zinc/60/12/86/503601286.db2.gz CEDDINIBMKUAIA-TUFLPTIASA-N 2 1 350.510 3.157 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000509080350 503637374 /nfs/dbraw/zinc/63/73/74/503637374.db2.gz PWJMWACTLPKOTI-AFJGWHNQSA-N 2 1 358.526 3.420 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000509080350 503637379 /nfs/dbraw/zinc/63/73/79/503637379.db2.gz PWJMWACTLPKOTI-AFJGWHNQSA-N 2 1 358.526 3.420 20 0 FGADMP c1ccc(N2CCO[C@H](C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038871 503649558 /nfs/dbraw/zinc/64/95/58/503649558.db2.gz PWSKNRLETFYSHU-JTHBVZDNSA-N 2 1 371.569 3.480 20 0 FGADMP c1ccc(N2CCO[C@H](C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038871 503649560 /nfs/dbraw/zinc/64/95/60/503649560.db2.gz PWSKNRLETFYSHU-JTHBVZDNSA-N 2 1 371.569 3.480 20 0 FGADMP C[C@H]1CCc2c(sc3nc(C[NH+]4CCC(C[NH+](C)C)CC4)nc(N)c23)C1 ZINC000540066895 503660301 /nfs/dbraw/zinc/66/03/01/503660301.db2.gz WMQZNYDSKMPTTM-ZDUSSCGKSA-N 2 1 373.570 3.172 20 0 FGADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@@H]1CC=CCC1 ZINC000543180486 503663999 /nfs/dbraw/zinc/66/39/99/503663999.db2.gz VWVMFZPBPKSLOQ-GOSISDBHSA-N 2 1 373.566 3.462 20 0 FGADMP CC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000529713982 503671948 /nfs/dbraw/zinc/67/19/48/503671948.db2.gz CALMUVOUUWQEGB-HXUWFJFHSA-N 2 1 370.541 3.211 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000540147201 503688807 /nfs/dbraw/zinc/68/88/07/503688807.db2.gz QNDKPEBAKCIPDC-ACRUOGEOSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000540147201 503688811 /nfs/dbraw/zinc/68/88/11/503688811.db2.gz QNDKPEBAKCIPDC-ACRUOGEOSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000540147201 503688820 /nfs/dbraw/zinc/68/88/20/503688820.db2.gz QNDKPEBAKCIPDC-ACRUOGEOSA-N 2 1 353.595 3.224 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000546266642 503691869 /nfs/dbraw/zinc/69/18/69/503691869.db2.gz HZNRAVQQYHMVQT-QFIPXVFZSA-N 2 1 362.477 3.349 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000540180712 503698951 /nfs/dbraw/zinc/69/89/51/503698951.db2.gz BGFGVYYLNXSJLB-YJLNNSPDSA-N 2 1 361.511 3.187 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1)CC(C)C ZINC000540235279 503718958 /nfs/dbraw/zinc/71/89/58/503718958.db2.gz NOAADMBEWQJRAF-IBGZPJMESA-N 2 1 369.619 3.030 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1)CC(C)C ZINC000540235279 503718961 /nfs/dbraw/zinc/71/89/61/503718961.db2.gz NOAADMBEWQJRAF-IBGZPJMESA-N 2 1 369.619 3.030 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+](C)[C@H]2CCSC2)CC1)CC(C)C ZINC000540235279 503718965 /nfs/dbraw/zinc/71/89/65/503718965.db2.gz NOAADMBEWQJRAF-IBGZPJMESA-N 2 1 369.619 3.030 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCC1 ZINC000543380191 503744980 /nfs/dbraw/zinc/74/49/80/503744980.db2.gz IRQWTDSHORSLII-AEFFLSMTSA-N 2 1 358.530 3.094 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCC1 ZINC000543380192 503745442 /nfs/dbraw/zinc/74/54/42/503745442.db2.gz IRQWTDSHORSLII-FUHWJXTLSA-N 2 1 358.530 3.094 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(-n2cc(Cl)cn2)n1 ZINC000527292292 503755654 /nfs/dbraw/zinc/75/56/54/503755654.db2.gz DMARGQRPZMVLNU-UHFFFAOYSA-N 2 1 359.905 3.193 20 0 FGADMP Cc1cccc(NCC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)n1 ZINC000536905606 503757218 /nfs/dbraw/zinc/75/72/18/503757218.db2.gz PQSWXBJXMFCMQZ-UHFFFAOYSA-N 2 1 356.489 3.238 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927756 503762662 /nfs/dbraw/zinc/76/26/62/503762662.db2.gz UTOYCYXPPRVLHL-KDURUIRLSA-N 2 1 351.579 3.466 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927756 503762665 /nfs/dbraw/zinc/76/26/65/503762665.db2.gz UTOYCYXPPRVLHL-KDURUIRLSA-N 2 1 351.579 3.466 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927756 503762671 /nfs/dbraw/zinc/76/26/71/503762671.db2.gz UTOYCYXPPRVLHL-KDURUIRLSA-N 2 1 351.579 3.466 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000517590160 503779762 /nfs/dbraw/zinc/77/97/62/503779762.db2.gz UPMHFCFNTCBWLU-GOSISDBHSA-N 2 1 366.594 3.260 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCC3)cc1 ZINC000546575401 503794221 /nfs/dbraw/zinc/79/42/21/503794221.db2.gz PXSUMGNLFWNLNV-UZLBHIALSA-N 2 1 357.523 3.152 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCC3)cc1 ZINC000546575401 503794223 /nfs/dbraw/zinc/79/42/23/503794223.db2.gz PXSUMGNLFWNLNV-UZLBHIALSA-N 2 1 357.523 3.152 20 0 FGADMP CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)(c2ccccc2)CC1 ZINC000530024888 503798797 /nfs/dbraw/zinc/79/87/97/503798797.db2.gz AFNOBJMRHUOFPX-NRFANRHFSA-N 2 1 369.553 3.173 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096136 503801563 /nfs/dbraw/zinc/80/15/63/503801563.db2.gz IMCCKLZGCURXHR-XWSHUIEDSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096136 503801568 /nfs/dbraw/zinc/80/15/68/503801568.db2.gz IMCCKLZGCURXHR-XWSHUIEDSA-N 2 1 373.585 3.268 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685869 503806383 /nfs/dbraw/zinc/80/63/83/503806383.db2.gz KLPDITXMJNLHKV-MOPGFXCFSA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685869 503806385 /nfs/dbraw/zinc/80/63/85/503806385.db2.gz KLPDITXMJNLHKV-MOPGFXCFSA-N 2 1 365.949 3.397 20 0 FGADMP CN(CCC[NH+](C)C)C(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000543673373 503848165 /nfs/dbraw/zinc/84/81/65/503848165.db2.gz BLGVBZYXPARZPP-HXUWFJFHSA-N 2 1 374.573 3.053 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cnc2c1CCCC2 ZINC000546719286 503849893 /nfs/dbraw/zinc/84/98/93/503849893.db2.gz LJOPLPHUYNQPSE-HXUWFJFHSA-N 2 1 368.525 3.035 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000546719286 503849923 /nfs/dbraw/zinc/84/99/23/503849923.db2.gz LJOPLPHUYNQPSE-HXUWFJFHSA-N 2 1 368.525 3.035 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000517887975 503858110 /nfs/dbraw/zinc/85/81/10/503858110.db2.gz MUTYBTUTBOIHLO-QRVBRYPASA-N 2 1 366.594 3.163 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000517891616 503859607 /nfs/dbraw/zinc/85/96/07/503859607.db2.gz UJDRIISRMVSLKH-VXKWHMMOSA-N 2 1 367.537 3.359 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715225 503863774 /nfs/dbraw/zinc/86/37/74/503863774.db2.gz LKFYUNSDFWDUDI-OALUTQOASA-N 2 1 358.530 3.021 20 0 FGADMP C[C@H]1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@H](C)C1 ZINC000533497835 503864944 /nfs/dbraw/zinc/86/49/44/503864944.db2.gz CEESVSASCRSRFO-HLIPFELVSA-N 2 1 357.542 3.298 20 0 FGADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)C(C)(C)C ZINC000537291412 503869981 /nfs/dbraw/zinc/86/99/81/503869981.db2.gz QEPTWFMZOXESDQ-FQEVSTJZSA-N 2 1 359.558 3.444 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031225 503894383 /nfs/dbraw/zinc/89/43/83/503894383.db2.gz YRTXGSKCOQNHMQ-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518031225 503894386 /nfs/dbraw/zinc/89/43/86/503894386.db2.gz YRTXGSKCOQNHMQ-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691340 503897231 /nfs/dbraw/zinc/89/72/31/503897231.db2.gz JMXNHCZBJQKSIT-QFUCXCTJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527691340 503897237 /nfs/dbraw/zinc/89/72/37/503897237.db2.gz JMXNHCZBJQKSIT-QFUCXCTJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527691340 503897241 /nfs/dbraw/zinc/89/72/41/503897241.db2.gz JMXNHCZBJQKSIT-QFUCXCTJSA-N 2 1 370.541 3.138 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000518103853 503909689 /nfs/dbraw/zinc/90/96/89/503909689.db2.gz KEMANTDYLSDBMW-HDICACEKSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000518103853 503909692 /nfs/dbraw/zinc/90/96/92/503909692.db2.gz KEMANTDYLSDBMW-HDICACEKSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000518103853 503909694 /nfs/dbraw/zinc/90/96/94/503909694.db2.gz KEMANTDYLSDBMW-HDICACEKSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000530354912 503936138 /nfs/dbraw/zinc/93/61/38/503936138.db2.gz FLEHOJQUSRHYOG-YJBOKZPZSA-N 2 1 361.461 3.400 20 0 FGADMP COc1ccc(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cn1 ZINC000527798542 503949917 /nfs/dbraw/zinc/94/99/17/503949917.db2.gz RQRXDFMZWNWUTC-UHFFFAOYSA-N 2 1 357.473 3.069 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)CC[N@@H+]1Cc1ccccc1 ZINC000527806535 503953059 /nfs/dbraw/zinc/95/30/59/503953059.db2.gz JHUJQFQYIMRUEW-JUXOCIIHSA-N 2 1 363.505 3.456 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)CC[N@H+]1Cc1ccccc1 ZINC000527806535 503953064 /nfs/dbraw/zinc/95/30/64/503953064.db2.gz JHUJQFQYIMRUEW-JUXOCIIHSA-N 2 1 363.505 3.456 20 0 FGADMP Cc1cccc([C@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)C)c1 ZINC000527814885 503957265 /nfs/dbraw/zinc/95/72/65/503957265.db2.gz YLHNZPLQNIQHKC-HXUWFJFHSA-N 2 1 353.514 3.024 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366663 503964137 /nfs/dbraw/zinc/96/41/37/503964137.db2.gz FOHIWEXRLSJLFS-UZKOGDIHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527858422 503974870 /nfs/dbraw/zinc/97/48/70/503974870.db2.gz KBNNVRNUKKNWET-SFHVURJKSA-N 2 1 369.557 3.011 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000537631554 503984783 /nfs/dbraw/zinc/98/47/83/503984783.db2.gz QQWQECFZPVMFOY-UHFFFAOYSA-N 2 1 359.283 3.131 20 0 FGADMP CN(C)[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000518442816 503986609 /nfs/dbraw/zinc/98/66/09/503986609.db2.gz APZXCNLXBKNLCI-FQEVSTJZSA-N 2 1 371.912 3.117 20 0 FGADMP CN(C)[C@H](C(=O)NCCN1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000518442816 503986611 /nfs/dbraw/zinc/98/66/11/503986611.db2.gz APZXCNLXBKNLCI-FQEVSTJZSA-N 2 1 371.912 3.117 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000537660014 503996083 /nfs/dbraw/zinc/99/60/83/503996083.db2.gz ZRRFXKALUUJRKK-NRFANRHFSA-N 2 1 371.569 3.391 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000537694958 504008061 /nfs/dbraw/zinc/00/80/61/504008061.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000537694958 504008066 /nfs/dbraw/zinc/00/80/66/504008066.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000537694958 504008070 /nfs/dbraw/zinc/00/80/70/504008070.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000537694958 504008076 /nfs/dbraw/zinc/00/80/76/504008076.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 2 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000537694958 504008082 /nfs/dbraw/zinc/00/80/82/504008082.db2.gz XUOZUZIRJDIRSW-RBBKRZOGSA-N 2 1 370.585 3.135 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696405 504009476 /nfs/dbraw/zinc/00/94/76/504009476.db2.gz GHUSFLZBIQQZIJ-QRQLOZEOSA-N 2 1 357.523 3.494 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696405 504009480 /nfs/dbraw/zinc/00/94/80/504009480.db2.gz GHUSFLZBIQQZIJ-QRQLOZEOSA-N 2 1 357.523 3.494 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000544116949 504012772 /nfs/dbraw/zinc/01/27/72/504012772.db2.gz JXVPBMYVCKPDQN-LJQANCHMSA-N 2 1 369.553 3.374 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[NH+](C)C)cc1 ZINC000518594344 504023400 /nfs/dbraw/zinc/02/34/00/504023400.db2.gz YQGPWHUJPVVLLC-NSHGMRRFSA-N 2 1 360.546 3.160 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)[C@H](C)C1 ZINC000518597843 504023536 /nfs/dbraw/zinc/02/35/36/504023536.db2.gz RXKAGRGFTIDIAN-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)[C@H](C)C1 ZINC000518597843 504023539 /nfs/dbraw/zinc/02/35/39/504023539.db2.gz RXKAGRGFTIDIAN-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)[C@H](C)C1 ZINC000518597843 504023544 /nfs/dbraw/zinc/02/35/44/504023544.db2.gz RXKAGRGFTIDIAN-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](C)CC2)c1 ZINC000537757193 504029866 /nfs/dbraw/zinc/02/98/66/504029866.db2.gz PMKUWVIWBWFNAL-OAHLLOKOSA-N 2 1 362.493 3.145 20 0 FGADMP CC(C[NH+](C)CCc1ccccc1O)C[N@H+](C)CCc1ccccc1O ZINC000544189562 504040641 /nfs/dbraw/zinc/04/06/41/504040641.db2.gz IDCFWSQQSWCTHJ-UHFFFAOYSA-N 2 1 356.510 3.383 20 0 FGADMP CC(C[NH+](C)CCc1ccccc1O)C[N@@H+](C)CCc1ccccc1O ZINC000544189562 504040644 /nfs/dbraw/zinc/04/06/44/504040644.db2.gz IDCFWSQQSWCTHJ-UHFFFAOYSA-N 2 1 356.510 3.383 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015985 504041260 /nfs/dbraw/zinc/04/12/60/504041260.db2.gz ZWROEVDFSKTRIW-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662880 504043418 /nfs/dbraw/zinc/04/34/18/504043418.db2.gz WUMHYTRMRDSVQQ-JSGCOSHPSA-N 2 1 369.303 3.482 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662880 504043422 /nfs/dbraw/zinc/04/34/22/504043422.db2.gz WUMHYTRMRDSVQQ-JSGCOSHPSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662880 504043426 /nfs/dbraw/zinc/04/34/26/504043426.db2.gz WUMHYTRMRDSVQQ-JSGCOSHPSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662880 504043430 /nfs/dbraw/zinc/04/34/30/504043430.db2.gz WUMHYTRMRDSVQQ-JSGCOSHPSA-N 2 1 369.303 3.482 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C[C@H]1C ZINC000530662414 504043817 /nfs/dbraw/zinc/04/38/17/504043817.db2.gz ZYHKVRVNGGRIFT-GTCCEBARSA-N 2 1 373.541 3.067 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544230691 504054000 /nfs/dbraw/zinc/05/40/00/504054000.db2.gz QUIHBQABPNLFNW-WMZOPIPTSA-N 2 1 360.546 3.340 20 0 FGADMP C[C@H](CCNC(=O)N(C)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000541240051 504055913 /nfs/dbraw/zinc/05/59/13/504055913.db2.gz UVNYPFCOYDRXID-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCCC1CC1 ZINC000530713664 504061011 /nfs/dbraw/zinc/06/10/11/504061011.db2.gz NYHPUXJNZBCKBO-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000534221182 504075513 /nfs/dbraw/zinc/07/55/13/504075513.db2.gz TVHIGTACHZONHA-IBGZPJMESA-N 2 1 355.486 3.258 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1 ZINC000534221182 504075519 /nfs/dbraw/zinc/07/55/19/504075519.db2.gz TVHIGTACHZONHA-IBGZPJMESA-N 2 1 355.486 3.258 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769842 504082570 /nfs/dbraw/zinc/08/25/70/504082570.db2.gz WGGWNXCFNZNIAT-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000530769842 504082573 /nfs/dbraw/zinc/08/25/73/504082573.db2.gz WGGWNXCFNZNIAT-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000530769842 504082576 /nfs/dbraw/zinc/08/25/76/504082576.db2.gz WGGWNXCFNZNIAT-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000544361405 504102407 /nfs/dbraw/zinc/10/24/07/504102407.db2.gz RGOCSVNAPZAZOH-IIBYNOLFSA-N 2 1 374.479 3.065 20 0 FGADMP C[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000538047112 504123585 /nfs/dbraw/zinc/12/35/85/504123585.db2.gz PBHVILDLYNNSDP-SLFFLAALSA-N 2 1 360.542 3.380 20 0 FGADMP C[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000538047112 504123592 /nfs/dbraw/zinc/12/35/92/504123592.db2.gz PBHVILDLYNNSDP-SLFFLAALSA-N 2 1 360.542 3.380 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538098440 504133137 /nfs/dbraw/zinc/13/31/37/504133137.db2.gz IXDXHHUNAFZZGH-GOSISDBHSA-N 2 1 372.340 3.444 20 0 FGADMP Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000538124246 504137621 /nfs/dbraw/zinc/13/76/21/504137621.db2.gz HNOSSYVJVXGWBI-CALCHBBNSA-N 2 1 370.541 3.325 20 0 FGADMP CS(=O)(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000538204966 504161193 /nfs/dbraw/zinc/16/11/93/504161193.db2.gz SKPHUYHZFOSBSK-PMACEKPBSA-N 2 1 364.555 3.118 20 0 FGADMP Cc1ccc2sc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)nc2c1 ZINC000528392184 504203340 /nfs/dbraw/zinc/20/33/40/504203340.db2.gz UBINALKHVZNTCH-KRWDZBQOSA-N 2 1 358.555 3.205 20 0 FGADMP Cc1ccc2sc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)nc2c1 ZINC000528392184 504203343 /nfs/dbraw/zinc/20/33/43/504203343.db2.gz UBINALKHVZNTCH-KRWDZBQOSA-N 2 1 358.555 3.205 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000519571457 504257584 /nfs/dbraw/zinc/25/75/84/504257584.db2.gz QNUVHAPCVSKBKD-RXVVDRJESA-N 2 1 374.573 3.217 20 0 FGADMP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544876333 504287682 /nfs/dbraw/zinc/28/76/82/504287682.db2.gz ZNTIOIKMFWJXNA-OAQYLSRUSA-N 2 1 366.509 3.031 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4ccn(C)c4c3)CC2)CC1 ZINC000519654231 504290078 /nfs/dbraw/zinc/29/00/78/504290078.db2.gz UJEQOHSMUKOJHK-UHFFFAOYSA-N 2 1 368.525 3.313 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C4CCCC4)C3)CC2)CC1 ZINC000519655116 504291197 /nfs/dbraw/zinc/29/11/97/504291197.db2.gz UAFJYEQZFQXHPT-FQEVSTJZSA-N 2 1 361.574 3.221 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000519658290 504293095 /nfs/dbraw/zinc/29/30/95/504293095.db2.gz ZGNNSRIBMAQIEV-MHJFOBGBSA-N 2 1 357.542 3.419 20 0 FGADMP C[C@H](C(=O)N1CCCCC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967450 504296586 /nfs/dbraw/zinc/29/65/86/504296586.db2.gz XKAUNLUDOLEZMB-HXUWFJFHSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616118 504305052 /nfs/dbraw/zinc/30/50/52/504305052.db2.gz VEOAHQAEELORNR-PKOBYXMFSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616118 504305058 /nfs/dbraw/zinc/30/50/58/504305058.db2.gz VEOAHQAEELORNR-PKOBYXMFSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650622 504313685 /nfs/dbraw/zinc/31/36/85/504313685.db2.gz PEUUPIWZFXDISN-LZQZEXGQSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650622 504313688 /nfs/dbraw/zinc/31/36/88/504313688.db2.gz PEUUPIWZFXDISN-LZQZEXGQSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650622 504313695 /nfs/dbraw/zinc/31/36/95/504313695.db2.gz PEUUPIWZFXDISN-LZQZEXGQSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000528650622 504313705 /nfs/dbraw/zinc/31/37/05/504313705.db2.gz PEUUPIWZFXDISN-LZQZEXGQSA-N 2 1 363.933 3.246 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCC4(C3)CCCCCC4)cn2)CC1 ZINC000538722610 504344648 /nfs/dbraw/zinc/34/46/48/504344648.db2.gz AIOVQHKWCQXIQZ-UHFFFAOYSA-N 2 1 357.546 3.165 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC4(C3)CCCCCC4)cn2)CC1 ZINC000538722610 504344651 /nfs/dbraw/zinc/34/46/51/504344651.db2.gz AIOVQHKWCQXIQZ-UHFFFAOYSA-N 2 1 357.546 3.165 20 0 FGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611876 504362903 /nfs/dbraw/zinc/36/29/03/504362903.db2.gz CFHSEALUQALHOE-LJQANCHMSA-N 2 1 371.550 3.352 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996318 504396607 /nfs/dbraw/zinc/39/66/07/504396607.db2.gz YYPJAFZACMVKCN-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996318 504396613 /nfs/dbraw/zinc/39/66/13/504396613.db2.gz YYPJAFZACMVKCN-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996318 504396618 /nfs/dbraw/zinc/39/66/18/504396618.db2.gz YYPJAFZACMVKCN-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@H+]1C ZINC000542185196 504397286 /nfs/dbraw/zinc/39/72/86/504397286.db2.gz IQFXQFVTRBOXCU-WRHDZBKDSA-N 2 1 369.553 3.230 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712801 504400511 /nfs/dbraw/zinc/40/05/11/504400511.db2.gz UICWRKJDRBXOOW-YEWWUXTCSA-N 2 1 371.447 3.203 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712801 504400514 /nfs/dbraw/zinc/40/05/14/504400514.db2.gz UICWRKJDRBXOOW-YEWWUXTCSA-N 2 1 371.447 3.203 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCCC1 ZINC000538946162 504425964 /nfs/dbraw/zinc/42/59/64/504425964.db2.gz YLONQSWAPBIRNT-UHFFFAOYSA-N 2 1 372.557 3.459 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229854 504441537 /nfs/dbraw/zinc/44/15/37/504441537.db2.gz SLUGJYAEYARIIV-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229854 504441541 /nfs/dbraw/zinc/44/15/41/504441541.db2.gz SLUGJYAEYARIIV-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229854 504441547 /nfs/dbraw/zinc/44/15/47/504441547.db2.gz SLUGJYAEYARIIV-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)C[NH+]1CCCC1 ZINC000535506965 504453979 /nfs/dbraw/zinc/45/39/79/504453979.db2.gz FRHLNQLSKZKBGJ-MLGOLLRUSA-N 2 1 373.722 3.136 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1)CC(C)C ZINC000539099575 504471788 /nfs/dbraw/zinc/47/17/88/504471788.db2.gz HWGMTNYUCZKPDI-QGZVFWFLSA-N 2 1 364.534 3.390 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1)CC(C)C ZINC000539099575 504471790 /nfs/dbraw/zinc/47/17/90/504471790.db2.gz HWGMTNYUCZKPDI-QGZVFWFLSA-N 2 1 364.534 3.390 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3ccccc3C2)c2cccs2)CC1 ZINC000531932297 504479639 /nfs/dbraw/zinc/47/96/39/504479639.db2.gz FBOVOYRAXRQZLF-VQTJNVASSA-N 2 1 355.551 3.184 20 0 FGADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932885 504479674 /nfs/dbraw/zinc/47/96/74/504479674.db2.gz STBLPXNJDAJISA-BBRMVZONSA-N 2 1 364.584 3.461 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980120 504493668 /nfs/dbraw/zinc/49/36/68/504493668.db2.gz QBXCHHFJUAFAPR-INMHGKMJSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980120 504493670 /nfs/dbraw/zinc/49/36/70/504493670.db2.gz QBXCHHFJUAFAPR-INMHGKMJSA-N 2 1 351.922 3.149 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](CC(C)(C)C)c3ccccc3)cn2)CC1 ZINC000532141498 504548692 /nfs/dbraw/zinc/54/86/92/504548692.db2.gz BZHIUNUKURCZTM-FQEVSTJZSA-N 2 1 367.541 3.496 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000539394144 504554107 /nfs/dbraw/zinc/55/41/07/504554107.db2.gz OBIJWZLYRDEXHZ-LZJOCLMNSA-N 2 1 374.504 3.128 20 0 FGADMP Clc1ccccc1C[NH+]1CCC(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000520735443 504569564 /nfs/dbraw/zinc/56/95/64/504569564.db2.gz FPYFLNUCFHOMNV-UHFFFAOYSA-N 2 1 355.873 3.357 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000532204028 504572291 /nfs/dbraw/zinc/57/22/91/504572291.db2.gz NEJPQCMWSQNQOH-CYBMUJFWSA-N 2 1 357.420 3.496 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000532204029 504572395 /nfs/dbraw/zinc/57/23/95/504572395.db2.gz NEJPQCMWSQNQOH-ZDUSSCGKSA-N 2 1 357.420 3.496 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000542786170 504608772 /nfs/dbraw/zinc/60/87/72/504608772.db2.gz FIJFNFDNKMKHFH-LJQANCHMSA-N 2 1 372.557 3.411 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000542823087 504625988 /nfs/dbraw/zinc/62/59/88/504625988.db2.gz IWPKNMSSLVHNRC-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823087 504625993 /nfs/dbraw/zinc/62/59/93/504625993.db2.gz IWPKNMSSLVHNRC-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823087 504625995 /nfs/dbraw/zinc/62/59/95/504625995.db2.gz IWPKNMSSLVHNRC-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061678 504641501 /nfs/dbraw/zinc/64/15/01/504641501.db2.gz LDEJJSCHSKODTE-PXNSSMCTSA-N 2 1 369.509 3.226 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061678 504641509 /nfs/dbraw/zinc/64/15/09/504641509.db2.gz LDEJJSCHSKODTE-PXNSSMCTSA-N 2 1 369.509 3.226 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000529360033 504645658 /nfs/dbraw/zinc/64/56/58/504645658.db2.gz SCERPFHBTPVLMJ-YZGWKJHDSA-N 2 1 370.541 3.138 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852511 504718454 /nfs/dbraw/zinc/71/84/54/504718454.db2.gz TVPVKAYHTHSVPZ-TZIWHRDSSA-N 2 1 357.542 3.077 20 0 FGADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000539857856 504719243 /nfs/dbraw/zinc/71/92/43/504719243.db2.gz AJNUUBXDHAHZKR-FBBABVLZSA-N 2 1 357.542 3.379 20 0 FGADMP CCC[N@@H+](Cc1cccc(OC)n1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000532709968 504741045 /nfs/dbraw/zinc/74/10/45/504741045.db2.gz DYLKLNCMRDXFSV-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@H+](Cc1cccc(OC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532709968 504741046 /nfs/dbraw/zinc/74/10/46/504741046.db2.gz DYLKLNCMRDXFSV-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1cccc(OC)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000532709968 504741048 /nfs/dbraw/zinc/74/10/48/504741048.db2.gz DYLKLNCMRDXFSV-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000532737707 504748496 /nfs/dbraw/zinc/74/84/96/504748496.db2.gz NMPRVKARPHOUCR-VQIMIIECSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000532737707 504748501 /nfs/dbraw/zinc/74/85/01/504748501.db2.gz NMPRVKARPHOUCR-VQIMIIECSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000532737707 504748504 /nfs/dbraw/zinc/74/85/04/504748504.db2.gz NMPRVKARPHOUCR-VQIMIIECSA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000532737707 504748507 /nfs/dbraw/zinc/74/85/07/504748507.db2.gz NMPRVKARPHOUCR-VQIMIIECSA-N 2 1 354.498 3.081 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000562302945 504778080 /nfs/dbraw/zinc/77/80/80/504778080.db2.gz BOGQKSFGGJUSSD-UHFFFAOYSA-N 2 1 371.569 3.406 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096893 504792688 /nfs/dbraw/zinc/79/26/88/504792688.db2.gz JLZAGNYWFIMYTB-LEWJYISDSA-N 2 1 360.542 3.054 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096893 504792689 /nfs/dbraw/zinc/79/26/89/504792689.db2.gz JLZAGNYWFIMYTB-LEWJYISDSA-N 2 1 360.542 3.054 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556202819 504819630 /nfs/dbraw/zinc/81/96/30/504819630.db2.gz DAHPAWSHHLOINU-MJUUVYJYSA-N 2 1 357.542 3.039 20 0 FGADMP CCN1CC[C@H]([NH2+]CCn2cc[nH+]c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549480805 504833383 /nfs/dbraw/zinc/83/33/83/504833383.db2.gz CIUDTWPMGQGRLW-WMZOPIPTSA-N 2 1 352.404 3.034 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CCSCC3)C3(C2)CCOCC3)cc1 ZINC000559326075 504835361 /nfs/dbraw/zinc/83/53/61/504835361.db2.gz BBASCWDGYMWCJP-IBGZPJMESA-N 2 1 360.567 3.400 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553328963 504885373 /nfs/dbraw/zinc/88/53/73/504885373.db2.gz PFYDYGBOSIQVPJ-VWPQPMDRSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553328963 504885375 /nfs/dbraw/zinc/88/53/75/504885375.db2.gz PFYDYGBOSIQVPJ-VWPQPMDRSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553328963 504885379 /nfs/dbraw/zinc/88/53/79/504885379.db2.gz PFYDYGBOSIQVPJ-VWPQPMDRSA-N 2 1 371.569 3.383 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000559742111 504920593 /nfs/dbraw/zinc/92/05/93/504920593.db2.gz SRPSGQTZACPQPL-GMAHTHKFSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000559742111 504920594 /nfs/dbraw/zinc/92/05/94/504920594.db2.gz SRPSGQTZACPQPL-GMAHTHKFSA-N 2 1 364.537 3.471 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2ccccc2n1 ZINC000562893130 504978463 /nfs/dbraw/zinc/97/84/63/504978463.db2.gz BQVQMROIYAJSLD-INIZCTEOSA-N 2 1 350.466 3.421 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238603 504999882 /nfs/dbraw/zinc/99/98/82/504999882.db2.gz KOOAKWSHCHPWGF-NFBKMPQASA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238603 504999886 /nfs/dbraw/zinc/99/98/86/504999886.db2.gz KOOAKWSHCHPWGF-NFBKMPQASA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238603 504999887 /nfs/dbraw/zinc/99/98/87/504999887.db2.gz KOOAKWSHCHPWGF-NFBKMPQASA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238603 504999890 /nfs/dbraw/zinc/99/98/90/504999890.db2.gz KOOAKWSHCHPWGF-NFBKMPQASA-N 2 1 374.569 3.450 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239532 505000015 /nfs/dbraw/zinc/00/00/15/505000015.db2.gz UWEGISQTBOPHIC-UGKGYDQZSA-N 2 1 360.542 3.142 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239532 505000022 /nfs/dbraw/zinc/00/00/22/505000022.db2.gz UWEGISQTBOPHIC-UGKGYDQZSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239532 505000030 /nfs/dbraw/zinc/00/00/30/505000030.db2.gz UWEGISQTBOPHIC-UGKGYDQZSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239532 505000034 /nfs/dbraw/zinc/00/00/34/505000034.db2.gz UWEGISQTBOPHIC-UGKGYDQZSA-N 2 1 360.542 3.142 20 0 FGADMP C[C@@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)c1c[nH+]ccc1N ZINC000562958602 505001079 /nfs/dbraw/zinc/00/10/79/505001079.db2.gz BHIKFTMLEIORNY-SECBINFHSA-N 2 1 359.783 3.324 20 0 FGADMP Cc1cccc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000563045985 505032452 /nfs/dbraw/zinc/03/24/52/505032452.db2.gz UCZXZKGGZPHNHM-UHFFFAOYSA-N 2 1 358.574 3.061 20 0 FGADMP Cc1cccc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000563045985 505032455 /nfs/dbraw/zinc/03/24/55/505032455.db2.gz UCZXZKGGZPHNHM-UHFFFAOYSA-N 3 1 358.574 3.061 20 0 FGADMP Cc1cccc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000563045985 505032458 /nfs/dbraw/zinc/03/24/58/505032458.db2.gz UCZXZKGGZPHNHM-UHFFFAOYSA-N 3 1 358.574 3.061 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000563046632 505032520 /nfs/dbraw/zinc/03/25/20/505032520.db2.gz CDBJQLSIYQJFCF-IRLDBZIGSA-N 2 1 371.569 3.179 20 0 FGADMP O=C(C[N@H+]1CC[C@H](CC2CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000550409620 505036572 /nfs/dbraw/zinc/03/65/72/505036572.db2.gz RNVXEADPDGWHLQ-LJQANCHMSA-N 2 1 373.566 3.296 20 0 FGADMP C[C@H]1[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000557028826 505048069 /nfs/dbraw/zinc/04/80/69/505048069.db2.gz SHKZXJUPSNZRTK-OXJNMPFZSA-N 2 1 364.493 3.117 20 0 FGADMP CCCN1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121802 505053483 /nfs/dbraw/zinc/05/34/83/505053483.db2.gz GEWBOJLOAAMIFN-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP CCCN1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121802 505053489 /nfs/dbraw/zinc/05/34/89/505053489.db2.gz GEWBOJLOAAMIFN-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP COc1ccc(C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C2CC2)cc1 ZINC000563154679 505062046 /nfs/dbraw/zinc/06/20/46/505062046.db2.gz TVMZBPMHQJMNTA-VSDWSMLSSA-N 2 1 368.521 3.227 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207187 505075750 /nfs/dbraw/zinc/07/57/50/505075750.db2.gz WBQXWTRAIBMTCE-KNQAVFIVSA-N 2 1 371.569 3.450 20 0 FGADMP Clc1ccc2c(c1)[C@@H]([NH2+]Cc1nnc(C3CC[NH2+]CC3)[nH]1)CCCC2 ZINC000566103895 505082386 /nfs/dbraw/zinc/08/23/86/505082386.db2.gz POOCTCKQYOZPGG-KRWDZBQOSA-N 2 1 359.905 3.482 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000557339607 505111029 /nfs/dbraw/zinc/11/10/29/505111029.db2.gz XFCHLAGATKUSHR-QAPCUYQASA-N 2 1 361.511 3.430 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@@H]21 ZINC000560530252 505116403 /nfs/dbraw/zinc/11/64/03/505116403.db2.gz PGQIAXOUHYTHJY-XRGAULLZSA-N 2 1 373.324 3.196 20 0 FGADMP FC(F)Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533577 505117440 /nfs/dbraw/zinc/11/74/40/505117440.db2.gz QQQHLJSBYNUBDZ-RBUKOAKNSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533577 505117441 /nfs/dbraw/zinc/11/74/41/505117441.db2.gz QQQHLJSBYNUBDZ-RBUKOAKNSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533577 505117444 /nfs/dbraw/zinc/11/74/44/505117444.db2.gz QQQHLJSBYNUBDZ-RBUKOAKNSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533577 505117447 /nfs/dbraw/zinc/11/74/47/505117447.db2.gz QQQHLJSBYNUBDZ-RBUKOAKNSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533577 505117450 /nfs/dbraw/zinc/11/74/50/505117450.db2.gz QQQHLJSBYNUBDZ-RBUKOAKNSA-N 2 1 360.452 3.102 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000566242602 505121440 /nfs/dbraw/zinc/12/14/40/505121440.db2.gz CXTSZMDGOVDCHN-HXUWFJFHSA-N 2 1 358.461 3.192 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245354 505121509 /nfs/dbraw/zinc/12/15/09/505121509.db2.gz OEWBROHIMHHFCK-BPQIPLTHSA-N 2 1 363.933 3.181 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000566244137 505121723 /nfs/dbraw/zinc/12/17/23/505121723.db2.gz CNYQTWQGCRITQR-ORYQWCPZSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000566244137 505121727 /nfs/dbraw/zinc/12/17/27/505121727.db2.gz CNYQTWQGCRITQR-ORYQWCPZSA-N 2 1 365.477 3.477 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@H]2CCC[C@H]21 ZINC000560548166 505122551 /nfs/dbraw/zinc/12/25/51/505122551.db2.gz AIJFTHNHXIANSX-FGTMMUONSA-N 2 1 358.461 3.271 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000557534621 505160407 /nfs/dbraw/zinc/16/04/07/505160407.db2.gz MLMKOLAYFNXUAK-HUUCEWRRSA-N 2 1 374.451 3.227 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563432 505168796 /nfs/dbraw/zinc/16/87/96/505168796.db2.gz MUCOCFCKHIZUKB-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557563432 505168798 /nfs/dbraw/zinc/16/87/98/505168798.db2.gz MUCOCFCKHIZUKB-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557563432 505168802 /nfs/dbraw/zinc/16/88/02/505168802.db2.gz MUCOCFCKHIZUKB-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@H](n2cncn2)C1 ZINC000551268106 505189183 /nfs/dbraw/zinc/18/91/83/505189183.db2.gz ZTLFIICZGKVRHE-DUXKGJEZSA-N 2 1 353.514 3.046 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@H](n2cncn2)C1 ZINC000551268106 505189187 /nfs/dbraw/zinc/18/91/87/505189187.db2.gz ZTLFIICZGKVRHE-DUXKGJEZSA-N 2 1 353.514 3.046 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)C1CCOCC1 ZINC000563607568 505191339 /nfs/dbraw/zinc/19/13/39/505191339.db2.gz GUTWYEUFGMFXPF-BHIFYINESA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)C1CCOCC1 ZINC000563607568 505191342 /nfs/dbraw/zinc/19/13/42/505191342.db2.gz GUTWYEUFGMFXPF-BHIFYINESA-N 2 1 360.542 3.318 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690894 505213244 /nfs/dbraw/zinc/21/32/44/505213244.db2.gz DQMUFXKAYSJGQZ-PXNSSMCTSA-N 2 1 372.557 3.391 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000566614438 505223374 /nfs/dbraw/zinc/22/33/74/505223374.db2.gz UZPDXWGXLLTAGH-FBEWHJACSA-N 2 1 351.494 3.010 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561047842 505237061 /nfs/dbraw/zinc/23/70/61/505237061.db2.gz VQJQXJYYUJYTSA-HXUWFJFHSA-N 2 1 356.514 3.251 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@]1(C)CCCO1 ZINC000566870584 505296430 /nfs/dbraw/zinc/29/64/30/505296430.db2.gz ZTFBSBJWWCDUMD-KSEOMHKRSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116809 505311237 /nfs/dbraw/zinc/31/12/37/505311237.db2.gz LFWAUPPLEWCTNK-VPWXQRGCSA-N 2 1 350.934 3.486 20 0 FGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000555002629 505325949 /nfs/dbraw/zinc/32/59/49/505325949.db2.gz DNIHTIQOVPNYAF-YOEHRIQHSA-N 2 1 355.486 3.492 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C2)CC1 ZINC000564156567 505341072 /nfs/dbraw/zinc/34/10/72/505341072.db2.gz ISCMYVNHFHIOEE-HXUWFJFHSA-N 2 1 371.569 3.444 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000567042030 505346690 /nfs/dbraw/zinc/34/66/90/505346690.db2.gz YINAMTPOZXBFFX-NRFANRHFSA-N 2 1 374.573 3.174 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558364019 505368636 /nfs/dbraw/zinc/36/86/36/505368636.db2.gz KREFYXGMUDJCRX-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552021944 505372718 /nfs/dbraw/zinc/37/27/18/505372718.db2.gz LHCWZYPAMSICLA-JKWVGCSGSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000552021944 505372724 /nfs/dbraw/zinc/37/27/24/505372724.db2.gz LHCWZYPAMSICLA-JKWVGCSGSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000552021944 505372730 /nfs/dbraw/zinc/37/27/30/505372730.db2.gz LHCWZYPAMSICLA-JKWVGCSGSA-N 2 1 354.494 3.137 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552053979 505383186 /nfs/dbraw/zinc/38/31/86/505383186.db2.gz DMJFXZJOBZTTLU-CGXNFDGLSA-N 2 1 359.583 3.066 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388604 505404443 /nfs/dbraw/zinc/40/44/43/505404443.db2.gz BOMBARKBWGVPCL-MSOLQXFVSA-N 2 1 367.331 3.335 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388604 505404446 /nfs/dbraw/zinc/40/44/46/505404446.db2.gz BOMBARKBWGVPCL-MSOLQXFVSA-N 2 1 367.331 3.335 20 0 FGADMP COc1nc(C)cc(C)c1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000561839696 505447352 /nfs/dbraw/zinc/44/73/52/505447352.db2.gz FARAAGDDNKOPFN-HDICACEKSA-N 2 1 361.530 3.028 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000564569537 505456057 /nfs/dbraw/zinc/45/60/57/505456057.db2.gz ZJZKMIKPRQZVBL-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1)C1CCOCC1 ZINC000558699626 505467419 /nfs/dbraw/zinc/46/74/19/505467419.db2.gz XWSIOFYYWWVFRZ-VLCRHTCISA-N 2 1 358.526 3.454 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000561948635 505475385 /nfs/dbraw/zinc/47/53/85/505475385.db2.gz IWPKAMXJVOOXBQ-LJQANCHMSA-N 2 1 371.550 3.352 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000561948635 505475388 /nfs/dbraw/zinc/47/53/88/505475388.db2.gz IWPKAMXJVOOXBQ-LJQANCHMSA-N 2 1 371.550 3.352 20 0 FGADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567608920 505513333 /nfs/dbraw/zinc/51/33/33/505513333.db2.gz URWIDIHDQSROQN-LEWJYISDSA-N 2 1 357.542 3.455 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645458 505523231 /nfs/dbraw/zinc/52/32/31/505523231.db2.gz NRDZZWSFGLQDBN-UXHICEINSA-N 2 1 368.525 3.078 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645458 505523234 /nfs/dbraw/zinc/52/32/34/505523234.db2.gz NRDZZWSFGLQDBN-UXHICEINSA-N 2 1 368.525 3.078 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000567647626 505523516 /nfs/dbraw/zinc/52/35/16/505523516.db2.gz BZDBJVOXRLIOAQ-BRWVUGGUSA-N 2 1 356.514 3.440 20 0 FGADMP CCc1nc2cc(C[NH2+]C3CC[NH+](CCOC)CC3)ccc2n1C1CC1 ZINC000558976119 505542946 /nfs/dbraw/zinc/54/29/46/505542946.db2.gz LILLANVGDBAQJA-UHFFFAOYSA-N 2 1 356.514 3.134 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000562241064 505549743 /nfs/dbraw/zinc/54/97/43/505549743.db2.gz CZAZMNLXPKUFPG-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000562241064 505549744 /nfs/dbraw/zinc/54/97/44/505549744.db2.gz CZAZMNLXPKUFPG-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000562241064 505549746 /nfs/dbraw/zinc/54/97/46/505549746.db2.gz CZAZMNLXPKUFPG-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000567790154 505563352 /nfs/dbraw/zinc/56/33/52/505563352.db2.gz QEEZJJOTWQOQGK-PVIWCNJMSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H]1[C@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790154 505563354 /nfs/dbraw/zinc/56/33/54/505563354.db2.gz QEEZJJOTWQOQGK-PVIWCNJMSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H]1[C@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790154 505563355 /nfs/dbraw/zinc/56/33/55/505563355.db2.gz QEEZJJOTWQOQGK-PVIWCNJMSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000564993312 505566124 /nfs/dbraw/zinc/56/61/24/505566124.db2.gz SHQJHTKSGAMLOL-KGSLCBSSSA-N 2 1 369.553 3.407 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564994044 505566263 /nfs/dbraw/zinc/56/62/63/505566263.db2.gz IVTNAFACGQLGDD-PXAZEXFGSA-N 2 1 372.340 3.447 20 0 FGADMP [NH3+][C@H]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000567846699 505567870 /nfs/dbraw/zinc/56/78/70/505567870.db2.gz MYRHEVVGTHGTBP-VXKWHMMOSA-N 2 1 365.521 3.323 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000567851338 505568376 /nfs/dbraw/zinc/56/83/76/505568376.db2.gz ALYXVUVHQWJTTJ-NHCUHLMSSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000567851338 505568377 /nfs/dbraw/zinc/56/83/77/505568377.db2.gz ALYXVUVHQWJTTJ-NHCUHLMSSA-N 2 1 358.526 3.216 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000582763678 506405677 /nfs/dbraw/zinc/40/56/77/506405677.db2.gz WXYRHNRGIHIGBR-UHFFFAOYSA-N 2 1 355.526 3.482 20 0 FGADMP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000589077098 506430158 /nfs/dbraw/zinc/43/01/58/506430158.db2.gz OZHLTRSXNDZANO-GOSISDBHSA-N 2 1 361.449 3.118 20 0 FGADMP FC(F)(F)COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517175 506539927 /nfs/dbraw/zinc/53/99/27/506539927.db2.gz HNCPYFDPMPHOKM-GOSISDBHSA-N 2 1 372.431 3.361 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000583028650 506548751 /nfs/dbraw/zinc/54/87/51/506548751.db2.gz RJYPAACCUJLAOM-CMKODMSKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583028650 506548758 /nfs/dbraw/zinc/54/87/58/506548758.db2.gz RJYPAACCUJLAOM-CMKODMSKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583028650 506548763 /nfs/dbraw/zinc/54/87/63/506548763.db2.gz RJYPAACCUJLAOM-CMKODMSKSA-N 2 1 360.546 3.067 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000583091208 506585108 /nfs/dbraw/zinc/58/51/08/506585108.db2.gz LJNCFBCJTWEYAB-WIYYLYMNSA-N 2 1 365.521 3.313 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635034 506641436 /nfs/dbraw/zinc/64/14/36/506641436.db2.gz ZZYCTQXTQLFNIV-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635034 506641440 /nfs/dbraw/zinc/64/14/40/506641440.db2.gz ZZYCTQXTQLFNIV-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080017 506706422 /nfs/dbraw/zinc/70/64/22/506706422.db2.gz HBZMANYOVPJQLS-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604080017 506706430 /nfs/dbraw/zinc/70/64/30/506706430.db2.gz HBZMANYOVPJQLS-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604080017 506706435 /nfs/dbraw/zinc/70/64/35/506706435.db2.gz HBZMANYOVPJQLS-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000583316578 506713681 /nfs/dbraw/zinc/71/36/81/506713681.db2.gz WHCVNDUDQKWYJI-VAMGGRTRSA-N 2 1 371.456 3.260 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604173078 506735764 /nfs/dbraw/zinc/73/57/64/506735764.db2.gz HDTLDXDZDUIEDW-QHAWAJNXSA-N 2 1 370.541 3.140 20 0 FGADMP CN(C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604201706 506749099 /nfs/dbraw/zinc/74/90/99/506749099.db2.gz GYKGJFXZJVCLIK-NHCUHLMSSA-N 2 1 370.541 3.092 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000583457718 506787959 /nfs/dbraw/zinc/78/79/59/506787959.db2.gz VGSDRGBSYAVGGP-OAQYLSRUSA-N 2 1 369.553 3.199 20 0 FGADMP C[C@H]1[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000583583937 506862499 /nfs/dbraw/zinc/86/24/99/506862499.db2.gz LSLAFUQMWRCDMH-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583937 506862507 /nfs/dbraw/zinc/86/25/07/506862507.db2.gz LSLAFUQMWRCDMH-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583937 506862513 /nfs/dbraw/zinc/86/25/13/506862513.db2.gz LSLAFUQMWRCDMH-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000590786307 506955185 /nfs/dbraw/zinc/95/51/85/506955185.db2.gz OWSYWVDWIDTDQL-UHFFFAOYSA-N 2 1 372.469 3.018 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000590786307 506955197 /nfs/dbraw/zinc/95/51/97/506955197.db2.gz OWSYWVDWIDTDQL-UHFFFAOYSA-N 2 1 372.469 3.018 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000590787170 506958525 /nfs/dbraw/zinc/95/85/25/506958525.db2.gz SZYOIVKKNDJJMV-AWEZNQCLSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000590787170 506958529 /nfs/dbraw/zinc/95/85/29/506958529.db2.gz SZYOIVKKNDJJMV-AWEZNQCLSA-N 2 1 353.457 3.344 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000584042150 507118954 /nfs/dbraw/zinc/11/89/54/507118954.db2.gz DQFPGWFDSKBDRI-DBXWQHBBSA-N 2 1 372.557 3.235 20 0 FGADMP CC[NH+](CC)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000597867218 507142753 /nfs/dbraw/zinc/14/27/53/507142753.db2.gz DXWYBIBBNHMGFM-SFHVURJKSA-N 2 1 351.922 3.153 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000605340120 507152887 /nfs/dbraw/zinc/15/28/87/507152887.db2.gz MHXDUAYNMQJGAH-RBUKOAKNSA-N 2 1 374.529 3.156 20 0 FGADMP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Br)c1 ZINC000584224450 507223690 /nfs/dbraw/zinc/22/36/90/507223690.db2.gz WWEAEDWQKOXGQH-UHFFFAOYSA-N 2 1 371.319 3.000 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000591457604 507259039 /nfs/dbraw/zinc/25/90/39/507259039.db2.gz BBEWITHXYAMQNI-LJQANCHMSA-N 2 1 373.541 3.108 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538419 507281563 /nfs/dbraw/zinc/28/15/63/507281563.db2.gz RDRNEMBBZHUVOM-PZJWPPBQSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591559429 507292183 /nfs/dbraw/zinc/29/21/83/507292183.db2.gz NGGUYVFQIUUPFK-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000591559429 507292195 /nfs/dbraw/zinc/29/21/95/507292195.db2.gz NGGUYVFQIUUPFK-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000591559429 507292198 /nfs/dbraw/zinc/29/21/98/507292198.db2.gz NGGUYVFQIUUPFK-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346153 507293799 /nfs/dbraw/zinc/29/37/99/507293799.db2.gz UTDHIHFHKLDYMQ-SJLPKXTDSA-N 2 1 358.448 3.176 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591573622 507298610 /nfs/dbraw/zinc/29/86/10/507298610.db2.gz GCUCLVIFIAPHMY-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000594942418 507324820 /nfs/dbraw/zinc/32/48/20/507324820.db2.gz IBUAVTMHCWFNFX-SZOCEBHJSA-N 2 1 356.510 3.074 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000584437556 507342890 /nfs/dbraw/zinc/34/28/90/507342890.db2.gz NCWLLVYDLUUXST-ZRNYENFQSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000584437556 507342899 /nfs/dbraw/zinc/34/28/99/507342899.db2.gz NCWLLVYDLUUXST-ZRNYENFQSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@H](CSCCF)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000595007475 507352711 /nfs/dbraw/zinc/35/27/11/507352711.db2.gz OECPRKLYLZSMFM-MJGOQNOKSA-N 2 1 353.551 3.046 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000584526690 507393431 /nfs/dbraw/zinc/39/34/31/507393431.db2.gz DHOBCZCGQVTPLJ-VQIMIIECSA-N 2 1 371.550 3.352 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000584526690 507393437 /nfs/dbraw/zinc/39/34/37/507393437.db2.gz DHOBCZCGQVTPLJ-VQIMIIECSA-N 2 1 371.550 3.352 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000606709422 507491316 /nfs/dbraw/zinc/49/13/16/507491316.db2.gz DYFBVNCUGCUTRS-UHFFFAOYSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@H]([NH2+]C1(C[NH2+]C[C@H]2CNc3ccnn3C2)CCCC1)c1ccccc1 ZINC000606913123 507555333 /nfs/dbraw/zinc/55/53/33/507555333.db2.gz HEYBSERPIWOXIC-ROUUACIJSA-N 2 1 353.514 3.178 20 0 FGADMP CC(C)(C)OC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611274398 507598773 /nfs/dbraw/zinc/59/87/73/507598773.db2.gz UBEIAGLTHZJLOP-IBGZPJMESA-N 2 1 374.525 3.325 20 0 FGADMP c1cn([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000607151847 507633116 /nfs/dbraw/zinc/63/31/16/507633116.db2.gz SKPIHTRXLWDWSO-OYRHEFFESA-N 2 1 370.545 3.224 20 0 FGADMP c1cn([C@@H]2CCC[N@@H+](CCCCC[NH+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000607151847 507633120 /nfs/dbraw/zinc/63/31/20/507633120.db2.gz SKPIHTRXLWDWSO-OYRHEFFESA-N 2 1 370.545 3.224 20 0 FGADMP c1cn([C@@H]2CCC[N@H+](CCCCC[NH+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000607151847 507633123 /nfs/dbraw/zinc/63/31/23/507633123.db2.gz SKPIHTRXLWDWSO-OYRHEFFESA-N 2 1 370.545 3.224 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284609 507677247 /nfs/dbraw/zinc/67/72/47/507677247.db2.gz ILWHDROGGIVKID-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607284609 507677255 /nfs/dbraw/zinc/67/72/55/507677255.db2.gz ILWHDROGGIVKID-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607284609 507677264 /nfs/dbraw/zinc/67/72/64/507677264.db2.gz ILWHDROGGIVKID-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101520 507762306 /nfs/dbraw/zinc/76/23/06/507762306.db2.gz CEOQEZPIINDEGO-TZIWHRDSSA-N 2 1 373.516 3.125 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000615193027 507774028 /nfs/dbraw/zinc/77/40/28/507774028.db2.gz CYLQUAJFAWXLBU-SIKLNZKXSA-N 2 1 369.553 3.199 20 0 FGADMP Cc1cnc(NC[C@H]2CC[N@H+](C(C)C)C2)nc1NC[C@H]1CC[NH+](C(C)C)C1 ZINC000532045711 562465113 /nfs/dbraw/zinc/46/51/13/562465113.db2.gz OLMWZFZRGHEGMB-RTBURBONSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@H]2CC[NH+](C(C)C)C2)nc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000532045711 562465114 /nfs/dbraw/zinc/46/51/14/562465114.db2.gz OLMWZFZRGHEGMB-RTBURBONSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@H]2CC[NH+](C(C)C)C2)nc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000532045711 562465115 /nfs/dbraw/zinc/46/51/15/562465115.db2.gz OLMWZFZRGHEGMB-RTBURBONSA-N 2 1 374.577 3.069 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669117897 568037423 /nfs/dbraw/zinc/03/74/23/568037423.db2.gz VCWYXVLZLZKOFI-QGZVFWFLSA-N 2 1 358.530 3.084 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669117919 568038260 /nfs/dbraw/zinc/03/82/60/568038260.db2.gz WWOYBJMHMNRKKA-FXAWDEMLSA-N 2 1 358.530 3.002 20 0 FGADMP c1sc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cc1-c1nn[nH]n1 ZINC000823820985 606215107 /nfs/dbraw/zinc/21/51/07/606215107.db2.gz NMPSOBGRVMFQMN-UHFFFAOYSA-N 2 1 360.531 3.063 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413452 607085960 /nfs/dbraw/zinc/08/59/60/607085960.db2.gz QIBNCZBMZMQFJJ-MRXNPFEDSA-N 2 1 362.481 3.182 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935388 608501639 /nfs/dbraw/zinc/50/16/39/608501639.db2.gz ALDDJFLSUOOAHW-OXJNMPFZSA-N 2 1 368.529 3.488 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1)CC1CC1 ZINC000825419725 608882649 /nfs/dbraw/zinc/88/26/49/608882649.db2.gz UHCLKHNAULQBLW-UHFFFAOYSA-N 2 1 374.558 3.262 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824875949 609133493 /nfs/dbraw/zinc/13/34/93/609133493.db2.gz PSIRSWQGXNQVFU-RBSFLKMASA-N 2 1 360.481 3.024 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532593 609350039 /nfs/dbraw/zinc/35/00/39/609350039.db2.gz VQRPMYHSEBKWRO-DZKIICNBSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824529147 609350261 /nfs/dbraw/zinc/35/02/61/609350261.db2.gz FEEDIRKUAZUDSQ-DAYGRLMNSA-N 2 1 354.502 3.170 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000047883525 695870250 /nfs/dbraw/zinc/87/02/50/695870250.db2.gz DPMNBVKLOJNHIC-GOSISDBHSA-N 2 1 366.937 3.115 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000123987974 700713218 /nfs/dbraw/zinc/71/32/18/700713218.db2.gz MPFUGVRVSFHQKB-HZPDHXFCSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000136373834 704860263 /nfs/dbraw/zinc/86/02/63/704860263.db2.gz CVPRIYHVMAAFNS-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000136373834 704860267 /nfs/dbraw/zinc/86/02/67/704860267.db2.gz CVPRIYHVMAAFNS-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000173955378 705479269 /nfs/dbraw/zinc/47/92/69/705479269.db2.gz LEDCYBWXUKNQSC-GOSISDBHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000173955378 705479277 /nfs/dbraw/zinc/47/92/77/705479277.db2.gz LEDCYBWXUKNQSC-GOSISDBHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](C)[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000177223916 705613402 /nfs/dbraw/zinc/61/34/02/705613402.db2.gz QEQZFWFJSARDEJ-GOSISDBHSA-N 2 1 353.551 3.486 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000237121838 713588434 /nfs/dbraw/zinc/58/84/34/713588434.db2.gz BIKAIHRYWIIAJG-UHFFFAOYSA-N 2 1 371.308 3.470 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000245419118 713604997 /nfs/dbraw/zinc/60/49/97/713604997.db2.gz GXMYITSHQBCNFQ-WMZOPIPTSA-N 2 1 353.551 3.296 20 0 FGADMP c1sc(-c2ccc3c(c2)OCO3)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262090659 713718701 /nfs/dbraw/zinc/71/87/01/713718701.db2.gz UUBUGBCTOKMMPT-UHFFFAOYSA-N 2 1 357.479 3.114 20 0 FGADMP O=c1[nH]c2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713993 717923497 /nfs/dbraw/zinc/92/34/97/717923497.db2.gz WCYGDFIQTXFNHH-OAHLLOKOSA-N 2 1 356.495 3.332 20 0 FGADMP O=c1[nH]c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2[nH]1 ZINC000641713993 717923502 /nfs/dbraw/zinc/92/35/02/717923502.db2.gz WCYGDFIQTXFNHH-OAHLLOKOSA-N 2 1 356.495 3.332 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551203 713930415 /nfs/dbraw/zinc/93/04/15/713930415.db2.gz SEZZRCZWPKNBCV-QGZVFWFLSA-N 2 1 361.496 3.457 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000380889543 713977612 /nfs/dbraw/zinc/97/76/12/713977612.db2.gz IMICAGGLXCPXAW-INIZCTEOSA-N 2 1 351.535 3.240 20 0 FGADMP CCCC1(C[NH2+]C2CC[NH+](C)CC2)CCN(C(=O)OC(C)(C)C)CC1 ZINC000385352517 713983082 /nfs/dbraw/zinc/98/30/82/713983082.db2.gz QXOWXNQFIZRMMH-UHFFFAOYSA-N 2 1 353.551 3.488 20 0 FGADMP COc1cc(F)cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449019549 714039716 /nfs/dbraw/zinc/03/97/16/714039716.db2.gz NPBFOGWFTOKJHV-IYBDPMFKSA-N 2 1 350.478 3.156 20 0 FGADMP C(C[NH+]1CCC[C@@H]1[C@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868709 714153246 /nfs/dbraw/zinc/15/32/46/714153246.db2.gz KYUSMDOLOIZUML-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000521868709 714153253 /nfs/dbraw/zinc/15/32/53/714153253.db2.gz KYUSMDOLOIZUML-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1 ZINC000521868709 714153259 /nfs/dbraw/zinc/15/32/59/714153259.db2.gz KYUSMDOLOIZUML-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000524263708 714275752 /nfs/dbraw/zinc/27/57/52/714275752.db2.gz UWWRKDJDMOOWKD-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000524263708 714275755 /nfs/dbraw/zinc/27/57/55/714275755.db2.gz UWWRKDJDMOOWKD-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000524263708 714275758 /nfs/dbraw/zinc/27/57/58/714275758.db2.gz UWWRKDJDMOOWKD-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)ncc2Br)CC1 ZINC000621247747 714973980 /nfs/dbraw/zinc/97/39/80/714973980.db2.gz HJXCQKATJYIPKQ-UHFFFAOYSA-N 2 1 370.335 3.407 20 0 FGADMP [NH3+]CCC[C@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000643543754 718038570 /nfs/dbraw/zinc/03/85/70/718038570.db2.gz KPUCHQRDHDNLEC-ROUUACIJSA-N 2 1 362.470 3.114 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454518 715340044 /nfs/dbraw/zinc/34/00/44/715340044.db2.gz ILLQLTOISQBTBK-NVXWUHKLSA-N 2 1 358.448 3.319 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507696 715350733 /nfs/dbraw/zinc/35/07/33/715350733.db2.gz WNQIANSFEADJIK-NVXWUHKLSA-N 2 1 369.347 3.063 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655314 715380229 /nfs/dbraw/zinc/38/02/29/715380229.db2.gz URZDXWUZEUJCCB-AEFFLSMTSA-N 2 1 351.922 3.008 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3scnc32)c2cccs2)CC1 ZINC000623848912 715414757 /nfs/dbraw/zinc/41/47/57/715414757.db2.gz OPGURAZVTDFDFZ-HUUCEWRRSA-N 2 1 362.568 3.160 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1CC(F)F ZINC000624094956 715470848 /nfs/dbraw/zinc/47/08/48/715470848.db2.gz RCCCVOVXKAWMHT-BHIYHBOVSA-N 2 1 351.485 3.216 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628165065 716119079 /nfs/dbraw/zinc/11/90/79/716119079.db2.gz LLDSDLSYHOLPQW-GFCCVEGCSA-N 2 1 350.450 3.292 20 0 FGADMP [NH3+]C1(C[NH2+]Cc2cc(Br)cc(C(F)(F)F)c2)CCOCC1 ZINC000629389117 716281474 /nfs/dbraw/zinc/28/14/74/716281474.db2.gz UKMPBBJOFNGAAR-UHFFFAOYSA-N 2 1 367.209 3.065 20 0 FGADMP Fc1ccc(OC(F)F)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000629591151 716315037 /nfs/dbraw/zinc/31/50/37/716315037.db2.gz BDAJGUUQKRXGKI-INIZCTEOSA-N 2 1 358.404 3.018 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000631057189 716556419 /nfs/dbraw/zinc/55/64/19/716556419.db2.gz ZEQPXDNPZHTHRK-GOSISDBHSA-N 2 1 359.539 3.334 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631057189 716556423 /nfs/dbraw/zinc/55/64/23/716556423.db2.gz ZEQPXDNPZHTHRK-GOSISDBHSA-N 2 1 359.539 3.334 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000631057325 716556529 /nfs/dbraw/zinc/55/65/29/716556529.db2.gz UNSNJSIQAGGDBG-HNNXBMFYSA-N 2 1 365.568 3.395 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000631057325 716556534 /nfs/dbraw/zinc/55/65/34/716556534.db2.gz UNSNJSIQAGGDBG-HNNXBMFYSA-N 2 1 365.568 3.395 20 0 FGADMP C[C@@H]1C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000631841207 716688390 /nfs/dbraw/zinc/68/83/90/716688390.db2.gz ZQOXGBVPXVQEAX-DGCLKSJQSA-N 2 1 350.260 3.131 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000631841207 716688404 /nfs/dbraw/zinc/68/84/04/716688404.db2.gz ZQOXGBVPXVQEAX-DGCLKSJQSA-N 2 1 350.260 3.131 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000635454355 717172015 /nfs/dbraw/zinc/17/20/15/717172015.db2.gz WIVYFLSPXDLNDW-MRXNPFEDSA-N 2 1 360.527 3.096 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000635454355 717172017 /nfs/dbraw/zinc/17/20/17/717172017.db2.gz WIVYFLSPXDLNDW-MRXNPFEDSA-N 2 1 360.527 3.096 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635454187 717172019 /nfs/dbraw/zinc/17/20/19/717172019.db2.gz UNBJOAKZKHSFHS-QFBILLFUSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635454187 717172020 /nfs/dbraw/zinc/17/20/20/717172020.db2.gz UNBJOAKZKHSFHS-QFBILLFUSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635454187 717172021 /nfs/dbraw/zinc/17/20/21/717172021.db2.gz UNBJOAKZKHSFHS-QFBILLFUSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000636101811 717231856 /nfs/dbraw/zinc/23/18/56/717231856.db2.gz QGLGWWHOWCVCDY-OTWHNJEPSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000636101811 717231860 /nfs/dbraw/zinc/23/18/60/717231860.db2.gz QGLGWWHOWCVCDY-OTWHNJEPSA-N 2 1 361.917 3.047 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280625 717256402 /nfs/dbraw/zinc/25/64/02/717256402.db2.gz DYSVIAKEXSFTEA-BLLLJJGKSA-N 2 1 358.313 3.054 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638566581 717466702 /nfs/dbraw/zinc/46/67/02/717466702.db2.gz MKKQVKGDRKQVOE-CQSZACIVSA-N 2 1 358.452 3.448 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638566581 717466705 /nfs/dbraw/zinc/46/67/05/717466705.db2.gz MKKQVKGDRKQVOE-CQSZACIVSA-N 2 1 358.452 3.448 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CCC3CCOCC3)CC2)cs1 ZINC000638623379 717470823 /nfs/dbraw/zinc/47/08/23/717470823.db2.gz NQKXZJSAMJIACE-UHFFFAOYSA-N 2 1 351.560 3.324 20 0 FGADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682373 717589824 /nfs/dbraw/zinc/58/98/24/717589824.db2.gz VFIBHSOWBFUQDA-AWEZNQCLSA-N 2 1 355.467 3.466 20 0 FGADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682373 717589827 /nfs/dbraw/zinc/58/98/27/717589827.db2.gz VFIBHSOWBFUQDA-AWEZNQCLSA-N 2 1 355.467 3.466 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000639758799 717599202 /nfs/dbraw/zinc/59/92/02/717599202.db2.gz WIJFVBUGDNTMJH-INIZCTEOSA-N 2 1 356.432 3.027 20 0 FGADMP CC1([NH+]2CCCC2)CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000639984209 717640464 /nfs/dbraw/zinc/64/04/64/717640464.db2.gz SUPVWKXYBWKTNX-GOSISDBHSA-N 2 1 359.539 3.440 20 0 FGADMP C[C@@H](c1ncc(Br)cn1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534899 717761328 /nfs/dbraw/zinc/76/13/28/717761328.db2.gz XEUHMOLQONOURP-AWEZNQCLSA-N 2 1 355.324 3.498 20 0 FGADMP C[C@@H](c1ncc(Br)cn1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534899 717761332 /nfs/dbraw/zinc/76/13/32/717761332.db2.gz XEUHMOLQONOURP-AWEZNQCLSA-N 2 1 355.324 3.498 20 0 FGADMP CC1(C)C[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000644151334 718087918 /nfs/dbraw/zinc/08/79/18/718087918.db2.gz YQSTVACKMIMINS-INIZCTEOSA-N 2 1 370.324 3.072 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644553371 718123443 /nfs/dbraw/zinc/12/34/43/718123443.db2.gz KWPYCQLMKVKYSI-HPBDAGMYSA-N 2 1 356.432 3.333 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000644619336 718134269 /nfs/dbraw/zinc/13/42/69/718134269.db2.gz CZPOCBFPPYSQJZ-WNRNVDISSA-N 2 1 356.432 3.190 20 0 FGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000647248787 718342934 /nfs/dbraw/zinc/34/29/34/718342934.db2.gz DLAWWKJPWXIZGJ-QAPCUYQASA-N 2 1 360.299 3.279 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc(Br)cn2)[C@H](c2ccccc2)C1 ZINC000647248787 718342937 /nfs/dbraw/zinc/34/29/37/718342937.db2.gz DLAWWKJPWXIZGJ-QAPCUYQASA-N 2 1 360.299 3.279 20 0 FGADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)Cc1cc(Br)ccc1F ZINC000647883340 718383091 /nfs/dbraw/zinc/38/30/91/718383091.db2.gz GDLRTPRBWBDATM-UHFFFAOYSA-N 2 1 373.310 3.162 20 0 FGADMP COc1ccc(CC[N@H+](Cc2ccsc2)C[C@@H]2CC[NH2+]C2)cc1OC ZINC000647890004 718383488 /nfs/dbraw/zinc/38/34/88/718383488.db2.gz FHOFVNAAOYZVMB-QGZVFWFLSA-N 2 1 360.523 3.420 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903616 718385576 /nfs/dbraw/zinc/38/55/76/718385576.db2.gz NCVMDPRIEMUQDU-DOTOQJQBSA-N 2 1 360.889 3.397 20 0 FGADMP CC1([NH3+])CC[NH+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC1 ZINC000647924184 718387869 /nfs/dbraw/zinc/38/78/69/718387869.db2.gz LWYRYLYDJMPGOZ-UHFFFAOYSA-N 2 1 361.287 3.219 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975739 718390851 /nfs/dbraw/zinc/39/08/51/718390851.db2.gz FJZLWSAHZILMGX-UONOGXRCSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975739 718390852 /nfs/dbraw/zinc/39/08/52/718390852.db2.gz FJZLWSAHZILMGX-UONOGXRCSA-N 2 1 360.889 3.200 20 0 FGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975654 718390988 /nfs/dbraw/zinc/39/09/88/718390988.db2.gz DDAIPNQFAKMEQP-HOTGVXAUSA-N 2 1 360.527 3.442 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000647986152 718392639 /nfs/dbraw/zinc/39/26/39/718392639.db2.gz XJRHCGKIHVRNGB-KRWDZBQOSA-N 2 1 356.432 3.325 20 0 FGADMP [NH3+][C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299288 718502349 /nfs/dbraw/zinc/50/23/49/718502349.db2.gz FMWJLOSMPDQWLW-OALUTQOASA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299288 718502351 /nfs/dbraw/zinc/50/23/51/718502351.db2.gz FMWJLOSMPDQWLW-OALUTQOASA-N 2 1 357.885 3.121 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311553 718503475 /nfs/dbraw/zinc/50/34/75/718503475.db2.gz ZFEAMDCAHLFXLJ-GJYPPUQNSA-N 2 1 363.933 3.453 20 0 FGADMP C[C@H](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000649347431 718506282 /nfs/dbraw/zinc/50/62/82/718506282.db2.gz WYSPCIWDEGADAR-DNVCBOLYSA-N 2 1 359.901 3.367 20 0 FGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208651 718923146 /nfs/dbraw/zinc/92/31/46/718923146.db2.gz KUKZGJDWKHKTTR-NVXWUHKLSA-N 2 1 350.503 3.485 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362934 718936709 /nfs/dbraw/zinc/93/67/09/718936709.db2.gz SYQWOANSLMKLEB-IKGGRYGDSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362934 718936713 /nfs/dbraw/zinc/93/67/13/718936713.db2.gz SYQWOANSLMKLEB-IKGGRYGDSA-N 2 1 371.294 3.449 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164631043 719180800 /nfs/dbraw/zinc/18/08/00/719180800.db2.gz ADUJXSUMFMTPGN-QZTJIDSGSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164631043 719180808 /nfs/dbraw/zinc/18/08/08/719180808.db2.gz ADUJXSUMFMTPGN-QZTJIDSGSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@@H]1C[NH+](C)[C@H](C)CN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164631043 719180821 /nfs/dbraw/zinc/18/08/21/719180821.db2.gz ADUJXSUMFMTPGN-QZTJIDSGSA-N 2 1 350.510 3.169 20 0 FGADMP CCOc1ccc(Cl)cc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736566 719332144 /nfs/dbraw/zinc/33/21/44/719332144.db2.gz HOXJRDWVUNMJAX-GOSISDBHSA-N 2 1 352.906 3.124 20 0 FGADMP Clc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-n2cncn2)c1 ZINC000656782028 719470329 /nfs/dbraw/zinc/47/03/29/719470329.db2.gz CXRIXRQVKOMBPZ-INIZCTEOSA-N 2 1 359.905 3.132 20 0 FGADMP COCc1csc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000657329913 719626663 /nfs/dbraw/zinc/62/66/63/719626663.db2.gz PFXSXYGPVCVINL-MRXNPFEDSA-N 2 1 360.523 3.405 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000657750380 719704573 /nfs/dbraw/zinc/70/45/73/719704573.db2.gz IWHPNYDHCKEWMQ-KSSFIOAISA-N 2 1 367.331 3.396 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282541 720409494 /nfs/dbraw/zinc/40/94/94/720409494.db2.gz BRTMECBXWNXUPK-INMHGKMJSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282541 720409498 /nfs/dbraw/zinc/40/94/98/720409498.db2.gz BRTMECBXWNXUPK-INMHGKMJSA-N 2 1 358.404 3.288 20 0 FGADMP COc1ncc(Br)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293801 720410826 /nfs/dbraw/zinc/41/08/26/720410826.db2.gz NZKUYVPELZPGAA-CQSZACIVSA-N 2 1 368.319 3.064 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292182 720410855 /nfs/dbraw/zinc/41/08/55/720410855.db2.gz BWXJTAZBIHVCBS-RDJZCZTQSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292182 720410859 /nfs/dbraw/zinc/41/08/59/720410859.db2.gz BWXJTAZBIHVCBS-RDJZCZTQSA-N 2 1 350.507 3.015 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294679 720411400 /nfs/dbraw/zinc/41/14/00/720411400.db2.gz DRPKMKUVKDMYJL-RDJZCZTQSA-N 2 1 361.555 3.447 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297462 720411846 /nfs/dbraw/zinc/41/18/46/720411846.db2.gz QFKNKRQGGGOXDX-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314129 720414637 /nfs/dbraw/zinc/41/46/37/720414637.db2.gz NATSDPYDVUYPQB-BPQIPLTHSA-N 2 1 363.571 3.423 20 0 FGADMP Cc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000666893699 720995941 /nfs/dbraw/zinc/99/59/41/720995941.db2.gz SGHQCEJWLJIYEL-AWEZNQCLSA-N 2 1 354.926 3.350 20 0 FGADMP Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000667169636 721044476 /nfs/dbraw/zinc/04/44/76/721044476.db2.gz NDEAKLGPKQBCJZ-HNNXBMFYSA-N 2 1 354.926 3.350 20 0 FGADMP Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000667169636 721044481 /nfs/dbraw/zinc/04/44/81/721044481.db2.gz NDEAKLGPKQBCJZ-HNNXBMFYSA-N 2 1 354.926 3.350 20 0 FGADMP COc1cc2cc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c2cc1OC ZINC001164774228 721290638 /nfs/dbraw/zinc/29/06/38/721290638.db2.gz YASBWHUAWFUBKH-UHFFFAOYSA-N 2 1 353.466 3.174 20 0 FGADMP C[N@H+](Cc1nc2cc(Br)ccc2o1)CC1CC[NH+](C)CC1 ZINC000671681590 721607758 /nfs/dbraw/zinc/60/77/58/721607758.db2.gz IIQMZTGGKCGPNN-UHFFFAOYSA-N 2 1 352.276 3.364 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671761351 721612699 /nfs/dbraw/zinc/61/26/99/721612699.db2.gz XCYKEEKYHBJRCR-ARFHVFGLSA-N 2 1 353.304 3.420 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000682646812 722260434 /nfs/dbraw/zinc/26/04/34/722260434.db2.gz GILVWSMEKIDLMW-IRXDYDNUSA-N 2 1 364.287 3.235 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908306 722412359 /nfs/dbraw/zinc/41/23/59/722412359.db2.gz QJNMMPWADTVEHI-FJIDUMEYSA-N 2 1 351.535 3.094 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458766 722413163 /nfs/dbraw/zinc/41/31/63/722413163.db2.gz OFBJUYLKQVHILF-XSLAGTTESA-N 2 1 351.535 3.096 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486865 722413185 /nfs/dbraw/zinc/41/31/85/722413185.db2.gz NWJIFFHXSJMTOS-XSLAGTTESA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667346 722613178 /nfs/dbraw/zinc/61/31/78/722613178.db2.gz IWJOIVNWSZKITF-YJBOKZPZSA-N 2 1 367.331 3.146 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667346 722613180 /nfs/dbraw/zinc/61/31/80/722613180.db2.gz IWJOIVNWSZKITF-YJBOKZPZSA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667346 722613181 /nfs/dbraw/zinc/61/31/81/722613181.db2.gz IWJOIVNWSZKITF-YJBOKZPZSA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667346 722613183 /nfs/dbraw/zinc/61/31/83/722613183.db2.gz IWJOIVNWSZKITF-YJBOKZPZSA-N 2 1 367.331 3.146 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345402 722725195 /nfs/dbraw/zinc/72/51/95/722725195.db2.gz AJJZYRNJYSZGIJ-YKCBXCCJSA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345402 722725198 /nfs/dbraw/zinc/72/51/98/722725198.db2.gz AJJZYRNJYSZGIJ-YKCBXCCJSA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345402 722725200 /nfs/dbraw/zinc/72/52/00/722725200.db2.gz AJJZYRNJYSZGIJ-YKCBXCCJSA-N 2 1 368.949 3.441 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(Sc2ccc(Cl)cc2)CC1 ZINC000749516391 722731493 /nfs/dbraw/zinc/73/14/93/722731493.db2.gz UKHMEBACMGEFGV-INIZCTEOSA-N 2 1 354.947 3.353 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccccc1Cl ZINC000750735448 722779534 /nfs/dbraw/zinc/77/95/34/722779534.db2.gz XJUPPCCVMMIEOJ-JYBLJSLWSA-N 2 1 363.933 3.228 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000750984533 722788979 /nfs/dbraw/zinc/78/89/79/722788979.db2.gz SBVXGZOUIXRZOG-MRXNPFEDSA-N 2 1 362.389 3.308 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1c(C)cccc1C ZINC000751008916 722790406 /nfs/dbraw/zinc/79/04/06/722790406.db2.gz AHHNOGDKEHPQJX-GOSISDBHSA-N 2 1 362.587 3.348 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000751010595 722790631 /nfs/dbraw/zinc/79/06/31/722790631.db2.gz IWSCOKKJXTWVHU-QGZVFWFLSA-N 2 1 368.978 3.385 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000760657674 723076609 /nfs/dbraw/zinc/07/66/09/723076609.db2.gz PULBGGSKLGADCZ-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000760657674 723076612 /nfs/dbraw/zinc/07/66/12/723076612.db2.gz PULBGGSKLGADCZ-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796281171 723629962 /nfs/dbraw/zinc/62/99/62/723629962.db2.gz IKMKDVHSBFMHQC-ADKAHSJRSA-N 2 1 353.551 3.390 20 0 FGADMP C[N@H+](CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000798948845 723977779 /nfs/dbraw/zinc/97/77/79/723977779.db2.gz SEUGGIAINPDCJN-FQEVSTJZSA-N 2 1 353.551 3.488 20 0 FGADMP C[N@@H+](CC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1CCCCC1 ZINC000798948845 723977780 /nfs/dbraw/zinc/97/77/80/723977780.db2.gz SEUGGIAINPDCJN-FQEVSTJZSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000799177231 723995523 /nfs/dbraw/zinc/99/55/23/723995523.db2.gz MRGYYLQSUGRSAP-GOSISDBHSA-N 2 1 361.917 3.253 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776606830 724163763 /nfs/dbraw/zinc/16/37/63/724163763.db2.gz OJUVCSBQWARUKZ-HZPDHXFCSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000776606830 724163765 /nfs/dbraw/zinc/16/37/65/724163765.db2.gz OJUVCSBQWARUKZ-HZPDHXFCSA-N 2 1 350.507 3.301 20 0 FGADMP CC(C)[C@@H](C(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802147089 724361265 /nfs/dbraw/zinc/36/12/65/724361265.db2.gz RFBHMICCPDWMPI-KPFFTGBYSA-N 2 1 350.478 3.291 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000788010823 725041624 /nfs/dbraw/zinc/04/16/24/725041624.db2.gz AUCAQZMQWUQZIE-UHFFFAOYSA-N 2 1 353.942 3.140 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(Cl)ncnc2N(C)C)CC1 ZINC000788010823 725041625 /nfs/dbraw/zinc/04/16/25/725041625.db2.gz AUCAQZMQWUQZIE-UHFFFAOYSA-N 2 1 353.942 3.140 20 0 FGADMP Clc1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc2ccccc21 ZINC000788479677 725066995 /nfs/dbraw/zinc/06/69/95/725066995.db2.gz ZYEKAZYSKOLAPS-UHFFFAOYSA-N 2 1 359.901 3.432 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@@H](C)C1 ZINC000788612720 725076088 /nfs/dbraw/zinc/07/60/88/725076088.db2.gz VAGNPQORLDTMEK-BHYGNILZSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@@H](C)C1 ZINC000788612720 725076090 /nfs/dbraw/zinc/07/60/90/725076090.db2.gz VAGNPQORLDTMEK-BHYGNILZSA-N 2 1 351.922 3.449 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766931 725266704 /nfs/dbraw/zinc/26/67/04/725266704.db2.gz CIEIWYLYHJMCOH-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766931 725266707 /nfs/dbraw/zinc/26/67/07/725266707.db2.gz CIEIWYLYHJMCOH-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766931 725266709 /nfs/dbraw/zinc/26/67/09/725266709.db2.gz CIEIWYLYHJMCOH-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccnc(Cl)c1Cl ZINC000811507135 725370727 /nfs/dbraw/zinc/37/07/27/725370727.db2.gz RVQREPNKKCVYIG-OAHLLOKOSA-N 2 1 359.345 3.236 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819183174 727355460 /nfs/dbraw/zinc/35/54/60/727355460.db2.gz UMLISUFMPWNKEB-YJBOKZPZSA-N 2 1 369.347 3.440 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650044 729296008 /nfs/dbraw/zinc/29/60/08/729296008.db2.gz ZUWDLWYWLVGIJQ-IXDOHACOSA-N 2 1 351.535 3.096 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823699073 729299646 /nfs/dbraw/zinc/29/96/46/729299646.db2.gz ZUDPOVAXFHZTKF-KZNAEPCWSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428548 729337617 /nfs/dbraw/zinc/33/76/17/729337617.db2.gz TXBRQKUDCBQSPK-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428548 729337619 /nfs/dbraw/zinc/33/76/19/729337619.db2.gz TXBRQKUDCBQSPK-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103213 729424331 /nfs/dbraw/zinc/42/43/31/729424331.db2.gz GUILKUUOSWDOMA-WBVHZDCISA-N 2 1 366.937 3.204 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513342 729808794 /nfs/dbraw/zinc/80/87/94/729808794.db2.gz KYBYIXLCGXZHLA-BDXSIMOUSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909774 729845598 /nfs/dbraw/zinc/84/55/98/729845598.db2.gz UFOCRGYOCFXXDZ-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000842472124 730506823 /nfs/dbraw/zinc/50/68/23/730506823.db2.gz ROSOGQJOVSYICN-UHFFFAOYSA-N 2 1 355.885 3.146 20 0 FGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cc(Cl)ccc1Cl ZINC000843364237 730611089 /nfs/dbraw/zinc/61/10/89/730611089.db2.gz VQAXNSCTZDJRGN-UHFFFAOYSA-N 2 1 356.297 3.398 20 0 FGADMP [NH3+]CCCCCCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000844222082 730693304 /nfs/dbraw/zinc/69/33/04/730693304.db2.gz SYLPZHIUZUVEPU-HNNXBMFYSA-N 2 1 352.910 3.295 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079416 731226698 /nfs/dbraw/zinc/22/66/98/731226698.db2.gz NISZKFBCUFVTSE-CZUORRHYSA-N 2 1 354.420 3.365 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111724 731230455 /nfs/dbraw/zinc/23/04/55/731230455.db2.gz BZIXVLFPMLFUDK-GDBMZVCRSA-N 2 1 354.420 3.318 20 0 FGADMP C[N@@H+](CCCCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000849116409 731230945 /nfs/dbraw/zinc/23/09/45/731230945.db2.gz OTIBTPZQOYHMSX-UHFFFAOYSA-N 2 1 358.408 3.074 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2c(Cl)n(C)nc2C(F)(F)F)[C@@H]1CCC[NH3+] ZINC000852759087 731631246 /nfs/dbraw/zinc/63/12/46/731631246.db2.gz JMHGHQKAVLNKAG-ZYHUDNBSSA-N 2 1 352.832 3.432 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000857783220 732160354 /nfs/dbraw/zinc/16/03/54/732160354.db2.gz ZOYYLULKEGNVSN-UHFFFAOYSA-N 2 1 351.273 3.125 20 0 FGADMP COC[C@@H]1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000859140839 732282522 /nfs/dbraw/zinc/28/25/22/732282522.db2.gz XDCIHYIUIJFWQQ-WOJBJXKFSA-N 2 1 370.654 3.412 20 0 FGADMP COC[C@H]1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000859140838 732282630 /nfs/dbraw/zinc/28/26/30/732282630.db2.gz XDCIHYIUIJFWQQ-PMACEKPBSA-N 2 1 370.654 3.412 20 0 FGADMP C[C@@]1(O)CCC[N@@H+](CC[Si](C)(C)CC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000859285574 732304349 /nfs/dbraw/zinc/30/43/49/732304349.db2.gz ZICQIINDKTUZGU-BGYRXZFFSA-N 2 1 370.654 3.169 20 0 FGADMP C[C@@]1(O)CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000859285574 732304353 /nfs/dbraw/zinc/30/43/53/732304353.db2.gz ZICQIINDKTUZGU-BGYRXZFFSA-N 2 1 370.654 3.169 20 0 FGADMP C[C@@]1(O)CCC[NH+](CC[Si](C)(C)CC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000859285574 732304359 /nfs/dbraw/zinc/30/43/59/732304359.db2.gz ZICQIINDKTUZGU-BGYRXZFFSA-N 2 1 370.654 3.169 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866230736 733327029 /nfs/dbraw/zinc/32/70/29/733327029.db2.gz APQWSFQAQSQZDA-AWEZNQCLSA-N 2 1 350.894 3.159 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866259291 733329866 /nfs/dbraw/zinc/32/98/66/733329866.db2.gz LCSSKOYMKGRABD-AWEZNQCLSA-N 2 1 364.921 3.405 20 0 FGADMP C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000866562771 733366370 /nfs/dbraw/zinc/36/63/70/733366370.db2.gz FWXSMMZQCSGZQI-ZDUSSCGKSA-N 2 1 352.429 3.149 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CNCc2cc3c(s2)CC[NH2+]C3)cc1 ZINC000873213307 735739026 /nfs/dbraw/zinc/73/90/26/735739026.db2.gz UXNLNEBVTOTVEE-APWZRJJASA-N 2 1 359.514 3.016 20 0 FGADMP CC1(C)CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[NH2+]C1 ZINC000873234549 735741876 /nfs/dbraw/zinc/74/18/76/735741876.db2.gz GHUAXLXBKMYUCI-MRXNPFEDSA-N 2 1 363.933 3.312 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nc(Br)cs1 ZINC000873235877 735741964 /nfs/dbraw/zinc/74/19/64/735741964.db2.gz RVLAJJVMSYVBRE-JTQLQIEISA-N 2 1 352.301 3.402 20 0 FGADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000873283479 735745951 /nfs/dbraw/zinc/74/59/51/735745951.db2.gz UWFNGJHZAIPCAG-HZSPNIEDSA-N 2 1 363.811 3.001 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2sccc2C(F)F)CC1 ZINC000874154132 735846408 /nfs/dbraw/zinc/84/64/08/735846408.db2.gz HVPKXNROIMLIQZ-UHFFFAOYSA-N 2 1 352.410 3.085 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1Br ZINC000876888168 736157918 /nfs/dbraw/zinc/15/79/18/736157918.db2.gz ANNHABSLZXTAAS-LJLILKBBSA-N 2 1 366.303 3.005 20 0 FGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876898063 736160093 /nfs/dbraw/zinc/16/00/93/736160093.db2.gz ZAIFLURXDJYVFL-CRICUBBOSA-N 2 1 368.458 3.331 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000877156557 736193066 /nfs/dbraw/zinc/19/30/66/736193066.db2.gz XGIPNTJZTGFQPA-SXBQZSJRSA-N 2 1 368.462 3.375 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000877190844 736197173 /nfs/dbraw/zinc/19/71/73/736197173.db2.gz BDTXIBYDWJDCEV-GSQWSPMESA-N 2 1 368.458 3.066 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000877977294 736751386 /nfs/dbraw/zinc/75/13/86/736751386.db2.gz WHLATRIHMXOGQT-UHFFFAOYSA-N 2 1 361.559 3.488 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000877977294 736751389 /nfs/dbraw/zinc/75/13/89/736751389.db2.gz WHLATRIHMXOGQT-UHFFFAOYSA-N 2 1 361.559 3.488 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878006636 736756174 /nfs/dbraw/zinc/75/61/74/736756174.db2.gz VGAAGUSIIXXOKJ-GFCCVEGCSA-N 2 1 358.313 3.197 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878006636 736756177 /nfs/dbraw/zinc/75/61/77/736756177.db2.gz VGAAGUSIIXXOKJ-GFCCVEGCSA-N 2 1 358.313 3.197 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017777 736759103 /nfs/dbraw/zinc/75/91/03/736759103.db2.gz NPWXXNIZKUIKPT-WOJBJXKFSA-N 2 1 350.547 3.159 20 0 FGADMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576351 737009949 /nfs/dbraw/zinc/00/99/49/737009949.db2.gz BSPOAZGGLSWFLB-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576351 737009951 /nfs/dbraw/zinc/00/99/51/737009951.db2.gz BSPOAZGGLSWFLB-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576351 737009955 /nfs/dbraw/zinc/00/99/55/737009955.db2.gz BSPOAZGGLSWFLB-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576351 737009957 /nfs/dbraw/zinc/00/99/57/737009957.db2.gz BSPOAZGGLSWFLB-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576351 737009960 /nfs/dbraw/zinc/00/99/60/737009960.db2.gz BSPOAZGGLSWFLB-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000880254915 737142811 /nfs/dbraw/zinc/14/28/11/737142811.db2.gz SIZZOWWVVPFHFK-LJQANCHMSA-N 2 1 352.563 3.021 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[C@H]1c1cccs1 ZINC000885999297 739208407 /nfs/dbraw/zinc/20/84/07/739208407.db2.gz HCHCTEGRDNQVQC-LMMKCTJWSA-N 2 1 364.555 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[C@H]1c1cccs1 ZINC000885999297 739208412 /nfs/dbraw/zinc/20/84/12/739208412.db2.gz HCHCTEGRDNQVQC-LMMKCTJWSA-N 2 1 364.555 3.449 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000892492449 740006141 /nfs/dbraw/zinc/00/61/41/740006141.db2.gz RBLDHPDBGHUTCK-UHFFFAOYSA-N 2 1 366.303 3.124 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C(F)(F)F ZINC000894454899 742285705 /nfs/dbraw/zinc/28/57/05/742285705.db2.gz BRVMVSOVWWYBPD-JONQDZQNSA-N 2 1 364.452 3.217 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ncc(Br)cc1O ZINC000894478448 742288445 /nfs/dbraw/zinc/28/84/45/742288445.db2.gz AOTVKEIAGLDFGL-UHFFFAOYSA-N 2 1 367.291 3.221 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ncc(Br)cc1O ZINC000894478448 742288448 /nfs/dbraw/zinc/28/84/48/742288448.db2.gz AOTVKEIAGLDFGL-UHFFFAOYSA-N 2 1 367.291 3.221 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896025113 742483781 /nfs/dbraw/zinc/48/37/81/742483781.db2.gz ZPNXNVONYDAQQB-SFHVURJKSA-N 2 1 361.555 3.355 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000897469161 742681551 /nfs/dbraw/zinc/68/15/51/742681551.db2.gz FEAHRAQVIWCOGM-KDOFPFPSSA-N 2 1 367.331 3.396 20 0 FGADMP C([NH2+][C@H]1CCC[C@H](C2CCOCC2)C1)C1([NH+]2CCCC2)CCOCC1 ZINC000902792828 743775812 /nfs/dbraw/zinc/77/58/12/743775812.db2.gz DNUHWHXLAHZVEU-PMACEKPBSA-N 2 1 350.547 3.206 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460835 743853165 /nfs/dbraw/zinc/85/31/65/743853165.db2.gz JOXUAFRSLZWDQU-ZSXDVEMLSA-N 2 1 350.453 3.396 20 0 FGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000903765132 743881363 /nfs/dbraw/zinc/88/13/63/743881363.db2.gz YPVWKDFUVIROFO-BHYGNILZSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000903847929 743888417 /nfs/dbraw/zinc/88/84/17/743888417.db2.gz WOWUBEODLRSTOA-PEYYIBSZSA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000903847929 743888420 /nfs/dbraw/zinc/88/84/20/743888420.db2.gz WOWUBEODLRSTOA-PEYYIBSZSA-N 2 1 362.271 3.416 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388786 758910147 /nfs/dbraw/zinc/91/01/47/758910147.db2.gz RGXGRDFFPRTWDK-BDXSIMOUSA-N 2 1 367.331 3.018 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391533 758911548 /nfs/dbraw/zinc/91/15/48/758911548.db2.gz WIYVYWQAORYLRH-AHCXZYCDSA-N 2 1 372.340 3.145 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395339 758913773 /nfs/dbraw/zinc/91/37/73/758913773.db2.gz VMRVIQOTTLAANZ-RWQQGDIJSA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@@H]1C(C)C ZINC000922394677 758913904 /nfs/dbraw/zinc/91/39/04/758913904.db2.gz RCDLODIPIWTJMF-JHNDHUHGSA-N 2 1 371.319 3.002 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@@H]1C(C)C ZINC000922394677 758913908 /nfs/dbraw/zinc/91/39/08/758913908.db2.gz RCDLODIPIWTJMF-JHNDHUHGSA-N 2 1 371.319 3.002 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(OC)no3)CC2)cs1 ZINC000925031381 759434115 /nfs/dbraw/zinc/43/41/15/759434115.db2.gz LPXVYUZCJOBOTP-CYBMUJFWSA-N 2 1 364.515 3.265 20 0 FGADMP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000925038550 759435264 /nfs/dbraw/zinc/43/52/64/759435264.db2.gz LMRJLEVHGHBMRA-ICSRJNTNSA-N 2 1 351.535 3.423 20 0 FGADMP C[C@@H]([NH3+])[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000925656404 759518700 /nfs/dbraw/zinc/51/87/00/759518700.db2.gz ZYQDXHRWBNRWAM-CZUORRHYSA-N 2 1 351.292 3.104 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792837 759540372 /nfs/dbraw/zinc/54/03/72/759540372.db2.gz QJKCVZCRRLZZTK-GOEBONIOSA-N 2 1 356.432 3.385 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879517 759836791 /nfs/dbraw/zinc/83/67/91/759836791.db2.gz LJLXLLZRMRGDGK-QKMNUUQDSA-N 2 1 363.933 3.182 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881105 759836913 /nfs/dbraw/zinc/83/69/13/759836913.db2.gz SPHUJNBLWXGACN-NIMBFUQJSA-N 2 1 363.933 3.182 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)C2)C1 ZINC000930577125 760646375 /nfs/dbraw/zinc/64/63/75/760646375.db2.gz JFZVROBHCWGOII-UWVAXJGDSA-N 2 1 351.535 3.098 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000933738018 761466110 /nfs/dbraw/zinc/46/61/10/761466110.db2.gz DEADZENGVJQYMY-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000933738018 761466121 /nfs/dbraw/zinc/46/61/21/761466121.db2.gz DEADZENGVJQYMY-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000933738018 761466127 /nfs/dbraw/zinc/46/61/27/761466127.db2.gz DEADZENGVJQYMY-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@]2(C)C1 ZINC000933738018 761466134 /nfs/dbraw/zinc/46/61/34/761466134.db2.gz DEADZENGVJQYMY-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP Cc1cc(C[NH+]2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790137 764563081 /nfs/dbraw/zinc/56/30/81/764563081.db2.gz KOTYBROTKRPOLF-PHXBYCTMSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790137 764563085 /nfs/dbraw/zinc/56/30/85/764563085.db2.gz KOTYBROTKRPOLF-PHXBYCTMSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790137 764563091 /nfs/dbraw/zinc/56/30/91/764563091.db2.gz KOTYBROTKRPOLF-PHXBYCTMSA-N 2 1 361.555 3.010 20 0 FGADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002859690 765348945 /nfs/dbraw/zinc/34/89/45/765348945.db2.gz DDZQEOFUOBZLKZ-RVKKMQEKSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001026856360 766083354 /nfs/dbraw/zinc/08/33/54/766083354.db2.gz YJICAPJPQVCWSJ-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001026855571 766083549 /nfs/dbraw/zinc/08/35/49/766083549.db2.gz JUFSECPAJMVBTC-CWRNSKLLSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001027892981 766104704 /nfs/dbraw/zinc/10/47/04/766104704.db2.gz JARRSAWGPMOOKP-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001027892981 766104709 /nfs/dbraw/zinc/10/47/09/766104709.db2.gz JARRSAWGPMOOKP-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001027892981 766104713 /nfs/dbraw/zinc/10/47/13/766104713.db2.gz JARRSAWGPMOOKP-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000567982800 505589720 /nfs/dbraw/zinc/58/97/20/505589720.db2.gz RRNCUDJBCDSJLO-QKNQBKEWSA-N 2 1 373.516 3.028 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000568045791 505603113 /nfs/dbraw/zinc/60/31/13/505603113.db2.gz JEQHVVPYDVNDLI-PKOBYXMFSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045791 505603115 /nfs/dbraw/zinc/60/31/15/505603115.db2.gz JEQHVVPYDVNDLI-PKOBYXMFSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045791 505603117 /nfs/dbraw/zinc/60/31/17/505603117.db2.gz JEQHVVPYDVNDLI-PKOBYXMFSA-N 2 1 363.571 3.211 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000573729558 505605951 /nfs/dbraw/zinc/60/59/51/505605951.db2.gz IILGLUDIRCGKKQ-QETWGEEDSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000568081533 505611955 /nfs/dbraw/zinc/61/19/55/505611955.db2.gz PCWOERQUZDFMFW-OAQYLSRUSA-N 2 1 351.494 3.119 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000570928482 505613664 /nfs/dbraw/zinc/61/36/64/505613664.db2.gz GLERSDYYMIIOBW-MRXNPFEDSA-N 2 1 357.267 3.043 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000570928482 505613666 /nfs/dbraw/zinc/61/36/66/505613666.db2.gz GLERSDYYMIIOBW-MRXNPFEDSA-N 2 1 357.267 3.043 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3c4ccccc4C[C@H]3C)CC2)CC1 ZINC000568199679 505641450 /nfs/dbraw/zinc/64/14/50/505641450.db2.gz FLOWAPBGVYRLMA-VGOFRKELSA-N 2 1 369.553 3.232 20 0 FGADMP CCOC(=O)CC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000577049549 505652591 /nfs/dbraw/zinc/65/25/91/505652591.db2.gz FVPVGDQZVZLYOP-BGYRXZFFSA-N 2 1 358.526 3.420 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000577049549 505652595 /nfs/dbraw/zinc/65/25/95/505652595.db2.gz FVPVGDQZVZLYOP-BGYRXZFFSA-N 2 1 358.526 3.420 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000577049549 505652599 /nfs/dbraw/zinc/65/25/99/505652599.db2.gz FVPVGDQZVZLYOP-BGYRXZFFSA-N 2 1 358.526 3.420 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC12CCOCC2 ZINC000573972079 505663563 /nfs/dbraw/zinc/66/35/63/505663563.db2.gz DCKRNBUSGUYERG-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC12CCOCC2 ZINC000573972079 505663565 /nfs/dbraw/zinc/66/35/65/505663565.db2.gz DCKRNBUSGUYERG-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573980779 505666560 /nfs/dbraw/zinc/66/65/60/505666560.db2.gz ZBNRHEPSPXASPR-VQTJNVASSA-N 2 1 367.493 3.055 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571210765 505680462 /nfs/dbraw/zinc/68/04/62/505680462.db2.gz WICCBRXSQQDTDJ-GCJKJVERSA-N 2 1 370.541 3.095 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000075842837 493784340 /nfs/dbraw/zinc/78/43/40/493784340.db2.gz ZZJWYGNUFIRTGX-JXFKEZNVSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000075842837 493784342 /nfs/dbraw/zinc/78/43/42/493784342.db2.gz ZZJWYGNUFIRTGX-JXFKEZNVSA-N 2 1 361.505 3.198 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NC)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155127 493833025 /nfs/dbraw/zinc/83/30/25/493833025.db2.gz CFJPVUYUEFRLDW-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155127 493833030 /nfs/dbraw/zinc/83/30/30/493833030.db2.gz CFJPVUYUEFRLDW-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155127 493833034 /nfs/dbraw/zinc/83/30/34/493833034.db2.gz CFJPVUYUEFRLDW-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029695 493893607 /nfs/dbraw/zinc/89/36/07/493893607.db2.gz PQBLHAJPSWWISD-MOPGFXCFSA-N 2 1 357.523 3.132 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000069007253 493906377 /nfs/dbraw/zinc/90/63/77/493906377.db2.gz ANNDSJRBTNVBDC-OAQYLSRUSA-N 2 1 367.493 3.230 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000062357871 494010434 /nfs/dbraw/zinc/01/04/34/494010434.db2.gz KQVFRTJVIPGQFS-RBUKOAKNSA-N 2 1 359.901 3.362 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000052210019 494011857 /nfs/dbraw/zinc/01/18/57/494011857.db2.gz XURNIDQFULZRFJ-UHFFFAOYSA-N 2 1 371.569 3.278 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000069820491 494017363 /nfs/dbraw/zinc/01/73/63/494017363.db2.gz CLJQHSGWXHJLIW-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000069820491 494017365 /nfs/dbraw/zinc/01/73/65/494017365.db2.gz CLJQHSGWXHJLIW-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000069820491 494017368 /nfs/dbraw/zinc/01/73/68/494017368.db2.gz CLJQHSGWXHJLIW-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203506 494032326 /nfs/dbraw/zinc/03/23/26/494032326.db2.gz KUFOCUZCLVUHMT-QGZVFWFLSA-N 2 1 371.529 3.058 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000580173298 505695635 /nfs/dbraw/zinc/69/56/35/505695635.db2.gz XQFHRYICSVVKQC-GOSISDBHSA-N 2 1 360.546 3.106 20 0 FGADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000574133208 505701488 /nfs/dbraw/zinc/70/14/88/505701488.db2.gz YCBWQOHZYVFZCV-UYAOXDASSA-N 2 1 367.497 3.437 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000071923571 494108010 /nfs/dbraw/zinc/10/80/10/494108010.db2.gz AZLOXXRWVKJCIN-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000071923571 494108012 /nfs/dbraw/zinc/10/80/12/494108012.db2.gz AZLOXXRWVKJCIN-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000071923571 494108016 /nfs/dbraw/zinc/10/80/16/494108016.db2.gz AZLOXXRWVKJCIN-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CC(C)C ZINC000071925810 494108082 /nfs/dbraw/zinc/10/80/82/494108082.db2.gz PAUVPSKXOCDSDH-LEWJYISDSA-N 2 1 374.573 3.441 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC(C)C ZINC000071925810 494108088 /nfs/dbraw/zinc/10/80/88/494108088.db2.gz PAUVPSKXOCDSDH-LEWJYISDSA-N 2 1 374.573 3.441 20 0 FGADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085362788 494116504 /nfs/dbraw/zinc/11/65/04/494116504.db2.gz CCRDKECQMCLKQR-HBFSDRIKSA-N 2 1 374.573 3.315 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000085400893 494121082 /nfs/dbraw/zinc/12/10/82/494121082.db2.gz YNHUBPCPPRHFJE-JBACZVJFSA-N 2 1 372.557 3.114 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691586 494145615 /nfs/dbraw/zinc/14/56/15/494145615.db2.gz UISAKILLCBWWJK-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691586 494145620 /nfs/dbraw/zinc/14/56/20/494145620.db2.gz UISAKILLCBWWJK-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691586 494145625 /nfs/dbraw/zinc/14/56/25/494145625.db2.gz UISAKILLCBWWJK-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000086365720 494150452 /nfs/dbraw/zinc/15/04/52/494150452.db2.gz NDNYJFOMBMHWNF-KRWDZBQOSA-N 2 1 369.513 3.417 20 0 FGADMP CCN(CC(=O)Nc1cc(CN(C)C)ccn1)Cc1ccccc1Cl ZINC000580219659 505707211 /nfs/dbraw/zinc/70/72/11/505707211.db2.gz WAFDEKFNQGKIBX-UHFFFAOYSA-N 2 1 360.889 3.257 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000065522201 494208564 /nfs/dbraw/zinc/20/85/64/494208564.db2.gz QOOUNNPAJXJRMB-QUCCMNQESA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000065542139 494212068 /nfs/dbraw/zinc/21/20/68/494212068.db2.gz YYUMTGOLWPVVFH-BGYRXZFFSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+](C)Cc2ccccc2)C1 ZINC000065542139 494212070 /nfs/dbraw/zinc/21/20/70/494212070.db2.gz YYUMTGOLWPVVFH-BGYRXZFFSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000065542139 494212073 /nfs/dbraw/zinc/21/20/73/494212073.db2.gz YYUMTGOLWPVVFH-BGYRXZFFSA-N 2 1 374.573 3.176 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000054511402 494243196 /nfs/dbraw/zinc/24/31/96/494243196.db2.gz GYRIYQBKRIGDFN-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000054511402 494243198 /nfs/dbraw/zinc/24/31/98/494243198.db2.gz GYRIYQBKRIGDFN-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000054511402 494243200 /nfs/dbraw/zinc/24/32/00/494243200.db2.gz GYRIYQBKRIGDFN-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089158362 494270919 /nfs/dbraw/zinc/27/09/19/494270919.db2.gz XVMCRCXGMWOAON-UWJYYQICSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089158362 494270920 /nfs/dbraw/zinc/27/09/20/494270920.db2.gz XVMCRCXGMWOAON-UWJYYQICSA-N 2 1 355.526 3.030 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000066042518 494271016 /nfs/dbraw/zinc/27/10/16/494271016.db2.gz DPYRXGIQLYQHIU-OAQYLSRUSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)CC1 ZINC000043293079 494284753 /nfs/dbraw/zinc/28/47/53/494284753.db2.gz OYIQCQOYLHOPIX-UHFFFAOYSA-N 2 1 372.557 3.122 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2(c3ccccc3Cl)CCOCC2)CC1 ZINC000089551960 494324194 /nfs/dbraw/zinc/32/41/94/494324194.db2.gz CPGCDKMMJHEGGT-UHFFFAOYSA-N 2 1 366.933 3.089 20 0 FGADMP O=C(NCC[N@@H+]1CCc2sccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410623 494329246 /nfs/dbraw/zinc/32/92/46/494329246.db2.gz QTTYPZJXNDPMLU-UHFFFAOYSA-N 2 1 369.534 3.132 20 0 FGADMP O=C(NCC[N@H+]1CCc2sccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000066410623 494329250 /nfs/dbraw/zinc/32/92/50/494329250.db2.gz QTTYPZJXNDPMLU-UHFFFAOYSA-N 2 1 369.534 3.132 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090061799 494435061 /nfs/dbraw/zinc/43/50/61/494435061.db2.gz SVBWZKBYNBISFO-UYAOXDASSA-N 2 1 369.509 3.351 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090061799 494435066 /nfs/dbraw/zinc/43/50/66/494435066.db2.gz SVBWZKBYNBISFO-UYAOXDASSA-N 2 1 369.509 3.351 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(OC)c1 ZINC000090523344 494478608 /nfs/dbraw/zinc/47/86/08/494478608.db2.gz HMBVFTYKUDHHOH-BEVDRBHNSA-N 2 1 362.514 3.122 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000079617336 494494026 /nfs/dbraw/zinc/49/40/26/494494026.db2.gz TYLJWZDXDOOMAJ-UHFFFAOYSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000074189357 494494113 /nfs/dbraw/zinc/49/41/13/494494113.db2.gz JWLHVVDOKBCEJP-HXUWFJFHSA-N 2 1 368.525 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000074189357 494494115 /nfs/dbraw/zinc/49/41/15/494494115.db2.gz JWLHVVDOKBCEJP-HXUWFJFHSA-N 2 1 368.525 3.377 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074228243 494502188 /nfs/dbraw/zinc/50/21/88/494502188.db2.gz GIAPDOSCNHVGCF-HZPDHXFCSA-N 2 1 357.498 3.345 20 0 FGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237722 505727398 /nfs/dbraw/zinc/72/73/98/505727398.db2.gz UREYGUHRULNIOU-FUHWJXTLSA-N 2 1 351.560 3.197 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3cccc4[nH]ccc43)CC2)CC1 ZINC000580300327 505727418 /nfs/dbraw/zinc/72/74/18/505727418.db2.gz VSHDWOSRISIMNR-UHFFFAOYSA-N 2 1 369.513 3.192 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cccc4[nH]ccc43)CC2)CC1 ZINC000580300327 505727421 /nfs/dbraw/zinc/72/74/21/505727421.db2.gz VSHDWOSRISIMNR-UHFFFAOYSA-N 2 1 369.513 3.192 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000080055568 494577772 /nfs/dbraw/zinc/57/77/72/494577772.db2.gz SHLIEIQVHQUJBG-CTNGQTDRSA-N 2 1 374.573 3.458 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000580315398 505731046 /nfs/dbraw/zinc/73/10/46/505731046.db2.gz HEEFQCZSNVXPOW-FQEVSTJZSA-N 2 1 357.542 3.175 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080166432 494621170 /nfs/dbraw/zinc/62/11/70/494621170.db2.gz ONZNUTMCLJUZJK-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856591 494625292 /nfs/dbraw/zinc/62/52/92/494625292.db2.gz OAGFPFSDZWMQFI-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000571432159 505732811 /nfs/dbraw/zinc/73/28/11/505732811.db2.gz GXOAXPQTJBVPSF-HNNXBMFYSA-N 2 1 362.481 3.185 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)C[C@@H](C)O1 ZINC000131558722 494657486 /nfs/dbraw/zinc/65/74/86/494657486.db2.gz LWUJKPGLWURVNX-HZPDHXFCSA-N 2 1 353.466 3.007 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092566798 494671401 /nfs/dbraw/zinc/67/14/01/494671401.db2.gz NNSVUSFRXGKJRD-UHFFFAOYSA-N 2 1 368.562 3.366 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000075007410 494672471 /nfs/dbraw/zinc/67/24/71/494672471.db2.gz KMLUSMVWLPSCMT-GOSISDBHSA-N 2 1 361.530 3.145 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000092594521 494681842 /nfs/dbraw/zinc/68/18/42/494681842.db2.gz YNDAWOKUGVZXBY-FQEVSTJZSA-N 2 1 371.550 3.464 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3cccs3)C2)CC1 ZINC000092594521 494681844 /nfs/dbraw/zinc/68/18/44/494681844.db2.gz YNDAWOKUGVZXBY-FQEVSTJZSA-N 2 1 371.550 3.464 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121290224 494684790 /nfs/dbraw/zinc/68/47/90/494684790.db2.gz RIVOQIAIDWNUME-INIZCTEOSA-N 2 1 369.513 3.414 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000568608523 505735474 /nfs/dbraw/zinc/73/54/74/505735474.db2.gz DLYUKVOIVNGIPG-NVXWUHKLSA-N 2 1 364.559 3.092 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000091829256 494694885 /nfs/dbraw/zinc/69/48/85/494694885.db2.gz VIFOVQGTGMQDFV-UHFFFAOYSA-N 2 1 356.466 3.046 20 0 FGADMP C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000057286640 494704816 /nfs/dbraw/zinc/70/48/16/494704816.db2.gz ZSMADQWELFZCGQ-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](C)C ZINC000126337502 494715521 /nfs/dbraw/zinc/71/55/21/494715521.db2.gz DOJBUHQBGQWKNN-QGZVFWFLSA-N 2 1 371.447 3.080 20 0 FGADMP CC[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](C)C ZINC000126337502 494715530 /nfs/dbraw/zinc/71/55/30/494715530.db2.gz DOJBUHQBGQWKNN-QGZVFWFLSA-N 2 1 371.447 3.080 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000121372271 494726170 /nfs/dbraw/zinc/72/61/70/494726170.db2.gz AIWLPQMSEYHIHU-OALUTQOASA-N 2 1 374.573 3.393 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108549577 494736585 /nfs/dbraw/zinc/73/65/85/494736585.db2.gz CHUWHZFMXMZTSX-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108549577 494736596 /nfs/dbraw/zinc/73/65/96/494736596.db2.gz CHUWHZFMXMZTSX-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108549577 494736604 /nfs/dbraw/zinc/73/66/04/494736604.db2.gz CHUWHZFMXMZTSX-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410841 494759763 /nfs/dbraw/zinc/75/97/63/494759763.db2.gz QZYBUAZXRYITQL-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821536 494762979 /nfs/dbraw/zinc/76/29/79/494762979.db2.gz PEBIVABXTLVNPP-OALUTQOASA-N 2 1 372.557 3.409 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)COc1ccccc1 ZINC000092821311 494763306 /nfs/dbraw/zinc/76/33/06/494763306.db2.gz RFTFVGZTOVCCSU-NRFANRHFSA-N 2 1 369.509 3.060 20 0 FGADMP O=C(NC1CC1)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000025700635 494770976 /nfs/dbraw/zinc/77/09/76/494770976.db2.gz UWXQFXNKZOCEKC-QFIPXVFZSA-N 2 1 363.505 3.392 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)cc1)C1CC1 ZINC000080718362 494776554 /nfs/dbraw/zinc/77/65/54/494776554.db2.gz SKSLTHUQLQCPMZ-VCSGRIEYSA-N 2 1 355.526 3.416 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1)C1CC1 ZINC000080718362 494776561 /nfs/dbraw/zinc/77/65/61/494776561.db2.gz SKSLTHUQLQCPMZ-VCSGRIEYSA-N 2 1 355.526 3.416 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1)C1CC1 ZINC000080718362 494776565 /nfs/dbraw/zinc/77/65/65/494776565.db2.gz SKSLTHUQLQCPMZ-VCSGRIEYSA-N 2 1 355.526 3.416 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000075505611 494780980 /nfs/dbraw/zinc/78/09/80/494780980.db2.gz OLTYFVHZKRYRIS-FQEVSTJZSA-N 2 1 370.541 3.083 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000116433863 494784906 /nfs/dbraw/zinc/78/49/06/494784906.db2.gz NXEWJYYQVBEHPV-SFHVURJKSA-N 2 1 360.546 3.242 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000126739607 494829371 /nfs/dbraw/zinc/82/93/71/494829371.db2.gz NDEGWOIKIFQFRV-HXUWFJFHSA-N 2 1 366.594 3.310 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000093141767 494834908 /nfs/dbraw/zinc/83/49/08/494834908.db2.gz LHKWXLAPRUFAIU-FXAWDEMLSA-N 2 1 373.541 3.169 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852402 494849358 /nfs/dbraw/zinc/84/93/58/494849358.db2.gz GBJLAPZGWMNJIG-DZGCQCFKSA-N 2 1 373.310 3.476 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384479 505746188 /nfs/dbraw/zinc/74/61/88/505746188.db2.gz XENLKMVJRVCCKS-ICSRJNTNSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384479 505746192 /nfs/dbraw/zinc/74/61/92/505746192.db2.gz XENLKMVJRVCCKS-ICSRJNTNSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384479 505746195 /nfs/dbraw/zinc/74/61/95/505746195.db2.gz XENLKMVJRVCCKS-ICSRJNTNSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384479 505746198 /nfs/dbraw/zinc/74/61/98/505746198.db2.gz XENLKMVJRVCCKS-ICSRJNTNSA-N 2 1 350.462 3.369 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000580386452 505746770 /nfs/dbraw/zinc/74/67/70/505746770.db2.gz AOLOEFNLZMBHAS-QFUCXCTJSA-N 2 1 368.500 3.300 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000580386452 505746774 /nfs/dbraw/zinc/74/67/74/505746774.db2.gz AOLOEFNLZMBHAS-QFUCXCTJSA-N 2 1 368.500 3.300 20 0 FGADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336722 494873065 /nfs/dbraw/zinc/87/30/65/494873065.db2.gz BLQLGMCECKTXRZ-SFHVURJKSA-N 2 1 368.477 3.378 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336722 494873069 /nfs/dbraw/zinc/87/30/69/494873069.db2.gz BLQLGMCECKTXRZ-SFHVURJKSA-N 2 1 368.477 3.378 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336722 494873074 /nfs/dbraw/zinc/87/30/74/494873074.db2.gz BLQLGMCECKTXRZ-SFHVURJKSA-N 2 1 368.477 3.378 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000093336722 494873076 /nfs/dbraw/zinc/87/30/76/494873076.db2.gz BLQLGMCECKTXRZ-SFHVURJKSA-N 2 1 368.477 3.378 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644311 494906599 /nfs/dbraw/zinc/90/65/99/494906599.db2.gz JLTLTJORUSOTNN-TZIWHRDSSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000093644311 494906602 /nfs/dbraw/zinc/90/66/02/494906602.db2.gz JLTLTJORUSOTNN-TZIWHRDSSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000093644311 494906605 /nfs/dbraw/zinc/90/66/05/494906605.db2.gz JLTLTJORUSOTNN-TZIWHRDSSA-N 2 1 358.574 3.133 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)no1 ZINC000093683804 494910894 /nfs/dbraw/zinc/91/08/94/494910894.db2.gz GLXKGAXJXVMVKS-LJQANCHMSA-N 2 1 370.497 3.265 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)cc2)no1 ZINC000093683804 494910900 /nfs/dbraw/zinc/91/09/00/494910900.db2.gz GLXKGAXJXVMVKS-LJQANCHMSA-N 2 1 370.497 3.265 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000127316626 494926639 /nfs/dbraw/zinc/92/66/39/494926639.db2.gz HCKBXMJDQFNUAJ-UHFFFAOYSA-N 2 1 360.889 3.083 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000127316626 494926641 /nfs/dbraw/zinc/92/66/41/494926641.db2.gz HCKBXMJDQFNUAJ-UHFFFAOYSA-N 2 1 360.889 3.083 20 0 FGADMP Cc1cccn2c(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cnc12 ZINC000093844349 494927056 /nfs/dbraw/zinc/92/70/56/494927056.db2.gz UPHNPDMFSWAFBM-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000122144608 494930948 /nfs/dbraw/zinc/93/09/48/494930948.db2.gz UIDBRNPTUFVEBK-OAHLLOKOSA-N 2 1 350.507 3.078 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C3CC3)no2)CC1 ZINC000122144608 494930950 /nfs/dbraw/zinc/93/09/50/494930950.db2.gz UIDBRNPTUFVEBK-OAHLLOKOSA-N 2 1 350.507 3.078 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000110073117 494945720 /nfs/dbraw/zinc/94/57/20/494945720.db2.gz VOHZZYBENLGOLQ-KRWDZBQOSA-N 2 1 374.529 3.074 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122346858 494961487 /nfs/dbraw/zinc/96/14/87/494961487.db2.gz NIXKAKFRHOGFKE-KRWDZBQOSA-N 2 1 360.523 3.090 20 0 FGADMP C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007389 495029937 /nfs/dbraw/zinc/02/99/37/495029937.db2.gz VTKXFVXVDORZFW-OCCSQVGLSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007389 495029943 /nfs/dbraw/zinc/02/99/43/495029943.db2.gz VTKXFVXVDORZFW-OCCSQVGLSA-N 2 1 358.313 3.231 20 0 FGADMP CCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000097595808 495038644 /nfs/dbraw/zinc/03/86/44/495038644.db2.gz BVPPZIMRVWSMIM-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144347 495062002 /nfs/dbraw/zinc/06/20/02/495062002.db2.gz ZLWCPCNMKOBCDV-WMLDXEAASA-N 2 1 355.320 3.193 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000122974339 495062513 /nfs/dbraw/zinc/06/25/13/495062513.db2.gz FCTRAALMBOYOFQ-DLBZAZTESA-N 2 1 371.485 3.111 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000128270979 495071291 /nfs/dbraw/zinc/07/12/91/495071291.db2.gz SPKRYGBVDSHYIV-NQIIRXRSSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000111445476 495075316 /nfs/dbraw/zinc/07/53/16/495075316.db2.gz UWJYWLPFRADPHP-MRXNPFEDSA-N 2 1 360.546 3.115 20 0 FGADMP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1Br ZINC000134083595 495104119 /nfs/dbraw/zinc/10/41/19/495104119.db2.gz YHGWXCADDIRJME-UHFFFAOYSA-N 2 1 367.331 3.302 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000134150558 495113049 /nfs/dbraw/zinc/11/30/49/495113049.db2.gz OZGCEEPQXLMEGO-CTNGQTDRSA-N 2 1 372.557 3.101 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000111814098 495115290 /nfs/dbraw/zinc/11/52/90/495115290.db2.gz UCYVFEVZYPBCSQ-UHFFFAOYSA-N 2 1 360.546 3.199 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128613521 495124672 /nfs/dbraw/zinc/12/46/72/495124672.db2.gz MOUPDWGPUZYMPJ-HCXYKTFWSA-N 2 1 366.594 3.115 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128613521 495124677 /nfs/dbraw/zinc/12/46/77/495124677.db2.gz MOUPDWGPUZYMPJ-HCXYKTFWSA-N 2 1 366.594 3.115 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128613521 495124681 /nfs/dbraw/zinc/12/46/81/495124681.db2.gz MOUPDWGPUZYMPJ-HCXYKTFWSA-N 2 1 366.594 3.115 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000119640232 495208001 /nfs/dbraw/zinc/20/80/01/495208001.db2.gz USBIBMQTSZJLCG-UHFFFAOYSA-N 2 1 361.917 3.161 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000112742453 495233665 /nfs/dbraw/zinc/23/36/65/495233665.db2.gz AOIYTIYGQCDQIK-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP COC[C@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112985382 495264312 /nfs/dbraw/zinc/26/43/12/495264312.db2.gz YEPOFGYSAPNOBW-PMACEKPBSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000124343485 495273164 /nfs/dbraw/zinc/27/31/64/495273164.db2.gz VFRPUPAHHXFMCM-UHFFFAOYSA-N 2 1 367.396 3.434 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000124343485 495273168 /nfs/dbraw/zinc/27/31/68/495273168.db2.gz VFRPUPAHHXFMCM-UHFFFAOYSA-N 2 1 367.396 3.434 20 0 FGADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000568767902 505773420 /nfs/dbraw/zinc/77/34/20/505773420.db2.gz YZNRSTISJYWAMO-UHFFFAOYSA-N 2 1 368.521 3.435 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000105207413 495345653 /nfs/dbraw/zinc/34/56/53/495345653.db2.gz XPYGVBDQYSUKFV-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[N@H+](CC(OCC)OCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000124976429 495373141 /nfs/dbraw/zinc/37/31/41/495373141.db2.gz XAAOPVUYBYUATE-UHFFFAOYSA-N 2 1 364.534 3.173 20 0 FGADMP CCC[N@@H+](CC(OCC)OCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000124976429 495373145 /nfs/dbraw/zinc/37/31/45/495373145.db2.gz XAAOPVUYBYUATE-UHFFFAOYSA-N 2 1 364.534 3.173 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)CC2CCC2)CC1 ZINC000114455665 495376290 /nfs/dbraw/zinc/37/62/90/495376290.db2.gz GWOYBBLEKGQQDE-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CCc2ccccc2)CC1 ZINC000114455412 495377009 /nfs/dbraw/zinc/37/70/09/495377009.db2.gz HVYAMUWBXHWJAZ-NRFANRHFSA-N 2 1 357.542 3.073 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136577380 495387889 /nfs/dbraw/zinc/38/78/89/495387889.db2.gz XKHHZOJXYYFEMH-RTWAWAEBSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)CNC(=O)c1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000106162894 495422527 /nfs/dbraw/zinc/42/25/27/495422527.db2.gz DMCGETUKIAUQPH-UHFFFAOYSA-N 2 1 368.525 3.261 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000130781150 495445316 /nfs/dbraw/zinc/44/53/16/495445316.db2.gz LBDPVQSDJSQPSV-GFCCVEGCSA-N 2 1 352.841 3.333 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000130781150 495445318 /nfs/dbraw/zinc/44/53/18/495445318.db2.gz LBDPVQSDJSQPSV-GFCCVEGCSA-N 2 1 352.841 3.333 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000137570241 495445790 /nfs/dbraw/zinc/44/57/90/495445790.db2.gz KOFZAWXJPKMFSX-GOSISDBHSA-N 2 1 359.514 3.364 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106388569 495450664 /nfs/dbraw/zinc/45/06/64/495450664.db2.gz HCUZSMSADXZTNA-CQSZACIVSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106388569 495450667 /nfs/dbraw/zinc/45/06/67/495450667.db2.gz HCUZSMSADXZTNA-CQSZACIVSA-N 2 1 361.313 3.149 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125728886 495488943 /nfs/dbraw/zinc/48/89/43/495488943.db2.gz YWXHKOFFUBXIKH-LSDHHAIUSA-N 2 1 352.910 3.162 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC000140554614 495497547 /nfs/dbraw/zinc/49/75/47/495497547.db2.gz ZIORLKPSXKDHNT-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000140554614 495497553 /nfs/dbraw/zinc/49/75/53/495497553.db2.gz ZIORLKPSXKDHNT-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000140554614 495497559 /nfs/dbraw/zinc/49/75/59/495497559.db2.gz ZIORLKPSXKDHNT-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)N1CCSCC1 ZINC000131233289 495510231 /nfs/dbraw/zinc/51/02/31/495510231.db2.gz FMRUERWJYCJQFB-IAGOWNOFSA-N 2 1 361.555 3.294 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)c(F)c1 ZINC000131243353 495511372 /nfs/dbraw/zinc/51/13/72/495511372.db2.gz IGMWUGVZGNVYTL-GFCCVEGCSA-N 2 1 359.283 3.086 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000107368732 495526045 /nfs/dbraw/zinc/52/60/45/495526045.db2.gz VDAKJPOWLBTDIF-YJBOKZPZSA-N 2 1 355.448 3.478 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc(C(C)C)c(C)c3)C2)CC1 ZINC000107369693 495526190 /nfs/dbraw/zinc/52/61/90/495526190.db2.gz OLLWEJYOSIXVDS-HXUWFJFHSA-N 2 1 359.558 3.209 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568707 505788265 /nfs/dbraw/zinc/78/82/65/505788265.db2.gz NYLOEDJPUIXBIA-YUVXSKOASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580568707 505788269 /nfs/dbraw/zinc/78/82/69/505788269.db2.gz NYLOEDJPUIXBIA-YUVXSKOASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580568707 505788273 /nfs/dbraw/zinc/78/82/73/505788273.db2.gz NYLOEDJPUIXBIA-YUVXSKOASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566795 /nfs/dbraw/zinc/56/67/95/495566795.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566801 /nfs/dbraw/zinc/56/68/01/495566801.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566805 /nfs/dbraw/zinc/56/68/05/495566805.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566810 /nfs/dbraw/zinc/56/68/10/495566810.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000158683946 495566817 /nfs/dbraw/zinc/56/68/17/495566817.db2.gz NSUJBXLGGBIWBB-CUXKYVRBSA-N 3 1 358.574 3.250 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000158705597 495571874 /nfs/dbraw/zinc/57/18/74/495571874.db2.gz ZTRXIPOPVZTFFC-UHFFFAOYSA-N 2 1 366.594 3.404 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772954 495586591 /nfs/dbraw/zinc/58/65/91/495586591.db2.gz HITLBRSBWUIGKS-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772954 495586599 /nfs/dbraw/zinc/58/65/99/495586599.db2.gz HITLBRSBWUIGKS-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772954 495586605 /nfs/dbraw/zinc/58/66/05/495586605.db2.gz HITLBRSBWUIGKS-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772954 495586608 /nfs/dbraw/zinc/58/66/08/495586608.db2.gz HITLBRSBWUIGKS-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772954 495586609 /nfs/dbraw/zinc/58/66/09/495586609.db2.gz HITLBRSBWUIGKS-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158787675 495588925 /nfs/dbraw/zinc/58/89/25/495588925.db2.gz VWRHHWWORKBIEA-ZCLUNYJNSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158787675 495588932 /nfs/dbraw/zinc/58/89/32/495588932.db2.gz VWRHHWWORKBIEA-ZCLUNYJNSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158787675 495588936 /nfs/dbraw/zinc/58/89/36/495588936.db2.gz VWRHHWWORKBIEA-ZCLUNYJNSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158787675 495588945 /nfs/dbraw/zinc/58/89/45/495588945.db2.gz VWRHHWWORKBIEA-ZCLUNYJNSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158787675 495588947 /nfs/dbraw/zinc/58/89/47/495588947.db2.gz VWRHHWWORKBIEA-ZCLUNYJNSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2nc3ccccc3s2)CC1 ZINC000179449695 495596075 /nfs/dbraw/zinc/59/60/75/495596075.db2.gz SZOWOKRKFOZPLW-UHFFFAOYSA-N 2 1 355.511 3.404 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000182534252 495603001 /nfs/dbraw/zinc/60/30/01/495603001.db2.gz WHRCSWFSJPYMTM-LJQANCHMSA-N 2 1 364.555 3.118 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154397067 495604651 /nfs/dbraw/zinc/60/46/51/495604651.db2.gz FWSXQYVQZTXYQU-INIZCTEOSA-N 2 1 373.570 3.192 20 0 FGADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786116 495633937 /nfs/dbraw/zinc/63/39/37/495633937.db2.gz DBCXSSFZWCVEQO-ZBFHGGJFSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786116 495633942 /nfs/dbraw/zinc/63/39/42/495633942.db2.gz DBCXSSFZWCVEQO-ZBFHGGJFSA-N 2 1 373.324 3.151 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602553 505794228 /nfs/dbraw/zinc/79/42/28/505794228.db2.gz JYPNHYJLZHBADH-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182616597 495637399 /nfs/dbraw/zinc/63/73/99/495637399.db2.gz SICLVNLENVDZGT-GBESFXJTSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000182616597 495637402 /nfs/dbraw/zinc/63/74/02/495637402.db2.gz SICLVNLENVDZGT-GBESFXJTSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000182616597 495637405 /nfs/dbraw/zinc/63/74/05/495637405.db2.gz SICLVNLENVDZGT-GBESFXJTSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000182616279 495637604 /nfs/dbraw/zinc/63/76/04/495637604.db2.gz FCDLEITZFMUFCL-GGPKGHCWSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1 ZINC000159022557 495639030 /nfs/dbraw/zinc/63/90/30/495639030.db2.gz UEGDMWVYNQKXBA-SFHVURJKSA-N 2 1 361.530 3.215 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1 ZINC000159022557 495639039 /nfs/dbraw/zinc/63/90/39/495639039.db2.gz UEGDMWVYNQKXBA-SFHVURJKSA-N 2 1 361.530 3.215 20 0 FGADMP CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631655 495654402 /nfs/dbraw/zinc/65/44/02/495654402.db2.gz KEQKMWZYKKRJGZ-APWZRJJASA-N 2 1 361.555 3.294 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669438 495671490 /nfs/dbraw/zinc/67/14/90/495671490.db2.gz PUGGRQMPCHFFGT-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669438 495671498 /nfs/dbraw/zinc/67/14/98/495671498.db2.gz PUGGRQMPCHFFGT-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000154638590 495680489 /nfs/dbraw/zinc/68/04/89/495680489.db2.gz VNMHBCLGNZUERF-HXUWFJFHSA-N 2 1 357.473 3.197 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)C)CC2)cc1 ZINC000150926421 495683900 /nfs/dbraw/zinc/68/39/00/495683900.db2.gz RJYNOEXRZNSRJJ-MRXNPFEDSA-N 2 1 354.498 3.478 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000159221793 495686542 /nfs/dbraw/zinc/68/65/42/495686542.db2.gz ANXGHHZLEJVDQN-LBPRGKRZSA-N 2 1 352.841 3.333 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000159221793 495686546 /nfs/dbraw/zinc/68/65/46/495686546.db2.gz ANXGHHZLEJVDQN-LBPRGKRZSA-N 2 1 352.841 3.333 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713699 495692867 /nfs/dbraw/zinc/69/28/67/495692867.db2.gz WVHBGUXCIUQYSR-ILXRZTDVSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713699 495692871 /nfs/dbraw/zinc/69/28/71/495692871.db2.gz WVHBGUXCIUQYSR-ILXRZTDVSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182761974 495693094 /nfs/dbraw/zinc/69/30/94/495693094.db2.gz YJCUSLRGFAITOT-RRENTHDGSA-N 2 1 364.578 3.059 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185765400 495717919 /nfs/dbraw/zinc/71/79/19/495717919.db2.gz HYBYRCJHHBGCFW-JTDSTZFVSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185765400 495717922 /nfs/dbraw/zinc/71/79/22/495717922.db2.gz HYBYRCJHHBGCFW-JTDSTZFVSA-N 2 1 371.525 3.459 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000182828614 495718949 /nfs/dbraw/zinc/71/89/49/495718949.db2.gz DSOVUVYXQCGSSL-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000182828614 495718951 /nfs/dbraw/zinc/71/89/51/495718951.db2.gz DSOVUVYXQCGSSL-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000182828614 495718953 /nfs/dbraw/zinc/71/89/53/495718953.db2.gz DSOVUVYXQCGSSL-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883881 495730826 /nfs/dbraw/zinc/73/08/26/495730826.db2.gz SKELIQBRAYTHSQ-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883881 495730831 /nfs/dbraw/zinc/73/08/31/495730831.db2.gz SKELIQBRAYTHSQ-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883881 495730835 /nfs/dbraw/zinc/73/08/35/495730835.db2.gz SKELIQBRAYTHSQ-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883881 495730838 /nfs/dbraw/zinc/73/08/38/495730838.db2.gz SKELIQBRAYTHSQ-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000173883881 495730840 /nfs/dbraw/zinc/73/08/40/495730840.db2.gz SKELIQBRAYTHSQ-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182879022 495739505 /nfs/dbraw/zinc/73/95/05/495739505.db2.gz HHTBEBWYFKHURI-IPMKNSEASA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182879022 495739509 /nfs/dbraw/zinc/73/95/09/495739509.db2.gz HHTBEBWYFKHURI-IPMKNSEASA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182879022 495739511 /nfs/dbraw/zinc/73/95/11/495739511.db2.gz HHTBEBWYFKHURI-IPMKNSEASA-N 2 1 361.574 3.410 20 0 FGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000171307152 495813541 /nfs/dbraw/zinc/81/35/41/495813541.db2.gz CLASFJSKXPRCIU-CALCHBBNSA-N 2 1 370.497 3.058 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000171307152 495813547 /nfs/dbraw/zinc/81/35/47/495813547.db2.gz CLASFJSKXPRCIU-CALCHBBNSA-N 2 1 370.497 3.058 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)N[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000577855214 505805361 /nfs/dbraw/zinc/80/53/61/505805361.db2.gz JRNHUPUKZRLWNG-OAQYLSRUSA-N 2 1 369.513 3.003 20 0 FGADMP CC(C)(C)c1ccc(N2CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cc1 ZINC000151362935 495815962 /nfs/dbraw/zinc/81/59/62/495815962.db2.gz XMPIGHULVBPNHA-UHFFFAOYSA-N 2 1 373.585 3.389 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846739 /nfs/dbraw/zinc/84/67/39/495846739.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[N@@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846747 /nfs/dbraw/zinc/84/67/47/495846747.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[N@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846749 /nfs/dbraw/zinc/84/67/49/495846749.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846756 /nfs/dbraw/zinc/84/67/56/495846756.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[NH+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846761 /nfs/dbraw/zinc/84/67/61/495846761.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[N@@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846770 /nfs/dbraw/zinc/84/67/70/495846770.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[N@H+](C5CC5)C4)[C@@H]3C2)cc1 ZINC000183128467 495846779 /nfs/dbraw/zinc/84/67/79/495846779.db2.gz VWQRCBDBJJCKRV-RLBLXZPPSA-N 2 1 353.554 3.361 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132570 495848120 /nfs/dbraw/zinc/84/81/20/495848120.db2.gz VYFWVFOZMZFIJX-ZIBCJSCZSA-N 2 1 357.542 3.182 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000180153905 495882820 /nfs/dbraw/zinc/88/28/20/495882820.db2.gz QKAQGYKCHNTPOY-QGZVFWFLSA-N 2 1 364.852 3.111 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000180153905 495882824 /nfs/dbraw/zinc/88/28/24/495882824.db2.gz QKAQGYKCHNTPOY-QGZVFWFLSA-N 2 1 364.852 3.111 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186271404 495922588 /nfs/dbraw/zinc/92/25/88/495922588.db2.gz YQRZXDLKTCBQDI-NRFANRHFSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000155594003 496006540 /nfs/dbraw/zinc/00/65/40/496006540.db2.gz RCDAXUVYANKJNV-UTKZUKDTSA-N 2 1 366.509 3.026 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000171766531 496027956 /nfs/dbraw/zinc/02/79/56/496027956.db2.gz IIYVAHPCNIPDFK-SFHVURJKSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000171766531 496027958 /nfs/dbraw/zinc/02/79/58/496027958.db2.gz IIYVAHPCNIPDFK-SFHVURJKSA-N 2 1 369.553 3.204 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(CC(C)C)C2CC2)cc1 ZINC000183680339 496075615 /nfs/dbraw/zinc/07/56/15/496075615.db2.gz OBZIQYVHJWASPD-INIZCTEOSA-N 2 1 354.498 3.478 20 0 FGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000180795927 496150387 /nfs/dbraw/zinc/15/03/87/496150387.db2.gz HQQXETQUJDTEDG-UHFFFAOYSA-N 2 1 368.525 3.401 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000172081365 496156800 /nfs/dbraw/zinc/15/68/00/496156800.db2.gz YPUWINZTPFXODO-OAQYLSRUSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C(=O)N(C)C)c1ccccc1 ZINC000172081365 496156805 /nfs/dbraw/zinc/15/68/05/496156805.db2.gz YPUWINZTPFXODO-OAQYLSRUSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)N1CCC[C@@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000175013540 496207512 /nfs/dbraw/zinc/20/75/12/496207512.db2.gz JMKSMDJECIITDY-OAQYLSRUSA-N 2 1 372.557 3.276 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000177846157 496220717 /nfs/dbraw/zinc/22/07/17/496220717.db2.gz VPGRAIPIQFJDEO-OAQYLSRUSA-N 2 1 372.557 3.156 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCC[C@@H]1CCC[NH2+]C1 ZINC000152691802 496227971 /nfs/dbraw/zinc/22/79/71/496227971.db2.gz SECGBCRSSXWBGR-FQEVSTJZSA-N 2 1 365.521 3.195 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000172258581 496232897 /nfs/dbraw/zinc/23/28/97/496232897.db2.gz UWLIVPBTWPJAJI-IRXDYDNUSA-N 2 1 371.529 3.256 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178033800 496296472 /nfs/dbraw/zinc/29/64/72/496296472.db2.gz AEZNJUXZZSOCFY-YESZJQIVSA-N 2 1 365.493 3.022 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000580776104 505835681 /nfs/dbraw/zinc/83/56/81/505835681.db2.gz MKWVOTCOIFPWKY-PGRDOPGGSA-N 2 1 357.542 3.364 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(-c3ccncc3)ccc2OC)CC1 ZINC000187188039 496330776 /nfs/dbraw/zinc/33/07/76/496330776.db2.gz QRDZHLBGBVRNKZ-UHFFFAOYSA-N 2 1 369.509 3.348 20 0 FGADMP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000162765610 496409298 /nfs/dbraw/zinc/40/92/98/496409298.db2.gz SMLKGKFZYLOLQR-REWPJTCUSA-N 2 1 366.553 3.404 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000178330769 496415047 /nfs/dbraw/zinc/41/50/47/496415047.db2.gz OCXCZTFLWSUDJF-LAUBAEHRSA-N 2 1 356.514 3.188 20 0 FGADMP CC(C)(C)C1CCC(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000578022158 505843418 /nfs/dbraw/zinc/84/34/18/505843418.db2.gz SFRNMCRGBLFAHS-CQJJOKNBSA-N 2 1 363.590 3.419 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000184566594 496442628 /nfs/dbraw/zinc/44/26/28/496442628.db2.gz YVTVJQATZMHCEW-NHCUHLMSSA-N 2 1 351.494 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2c(C)noc2C)CC1 ZINC000181635866 496480198 /nfs/dbraw/zinc/48/01/98/496480198.db2.gz RQSQZGPHTUJWLO-AWEZNQCLSA-N 2 1 360.477 3.423 20 0 FGADMP CC(C)N(C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000184740421 496513930 /nfs/dbraw/zinc/51/39/30/496513930.db2.gz DHJMNRYDTIEDNC-OALUTQOASA-N 2 1 359.558 3.378 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175732781 496520570 /nfs/dbraw/zinc/52/05/70/496520570.db2.gz CKWVEEOBLHHPPQ-UXHICEINSA-N 2 1 360.546 3.199 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665106 496525411 /nfs/dbraw/zinc/52/54/11/496525411.db2.gz DMBZTJBPBBBQOQ-OAHLLOKOSA-N 2 1 370.900 3.359 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc(C)c1O ZINC000574777143 505852933 /nfs/dbraw/zinc/85/29/33/505852933.db2.gz HPFNXHGWFXDYSK-SFHVURJKSA-N 2 1 359.539 3.149 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000184935353 496592132 /nfs/dbraw/zinc/59/21/32/496592132.db2.gz VDNJBYUMMPYMPZ-IBGZPJMESA-N 2 1 357.523 3.132 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000184935353 496592140 /nfs/dbraw/zinc/59/21/40/496592140.db2.gz VDNJBYUMMPYMPZ-IBGZPJMESA-N 2 1 357.523 3.132 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1cccc(O)c1 ZINC000184978644 496608320 /nfs/dbraw/zinc/60/83/20/496608320.db2.gz PJNGUWXMLLHGMZ-LAUBAEHRSA-N 2 1 369.509 3.194 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1cccc(O)c1 ZINC000184978644 496608324 /nfs/dbraw/zinc/60/83/24/496608324.db2.gz PJNGUWXMLLHGMZ-LAUBAEHRSA-N 2 1 369.509 3.194 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578069742 505855133 /nfs/dbraw/zinc/85/51/33/505855133.db2.gz UUQFIXZHHGUZIR-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578069742 505855135 /nfs/dbraw/zinc/85/51/35/505855135.db2.gz UUQFIXZHHGUZIR-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000153911760 496621858 /nfs/dbraw/zinc/62/18/58/496621858.db2.gz JEUANSOLJIHQFC-KDURUIRLSA-N 2 1 352.526 3.225 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960599 505855573 /nfs/dbraw/zinc/85/55/73/505855573.db2.gz PAIKRGVLVOPWOC-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000580865277 505855674 /nfs/dbraw/zinc/85/56/74/505855674.db2.gz RTAWSMNNOJHSAV-NRFANRHFSA-N 2 1 371.500 3.414 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158099909 496626320 /nfs/dbraw/zinc/62/63/20/496626320.db2.gz ZHIOMLWLAQWWCU-KBPBESRZSA-N 2 1 368.319 3.098 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccccc1 ZINC000179093068 496672732 /nfs/dbraw/zinc/67/27/32/496672732.db2.gz BXPHPYJJPGRYAX-ZWKOTPCHSA-N 2 1 358.530 3.040 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000173427667 496688787 /nfs/dbraw/zinc/68/87/87/496688787.db2.gz SMPNXZSLEAKSQP-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000173427667 496688794 /nfs/dbraw/zinc/68/87/94/496688794.db2.gz SMPNXZSLEAKSQP-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000168674467 496712201 /nfs/dbraw/zinc/71/22/01/496712201.db2.gz KURNYXAMJUJYSL-NQIIRXRSSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000168674467 496712206 /nfs/dbraw/zinc/71/22/06/496712206.db2.gz KURNYXAMJUJYSL-NQIIRXRSSA-N 2 1 351.494 3.200 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258921 496722234 /nfs/dbraw/zinc/72/22/34/496722234.db2.gz OIGOEJIPSGCMMQ-FCHUYYIVSA-N 2 1 366.505 3.429 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748871 496772896 /nfs/dbraw/zinc/77/28/96/496772896.db2.gz GUQQNHDWJYHMIC-JXFKEZNVSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748871 496772898 /nfs/dbraw/zinc/77/28/98/496772898.db2.gz GUQQNHDWJYHMIC-JXFKEZNVSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247094967 496777816 /nfs/dbraw/zinc/77/78/16/496777816.db2.gz QAENTNUNZIWAGP-IYWMVGAKSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000247109991 496781881 /nfs/dbraw/zinc/78/18/81/496781881.db2.gz SZQFLKACANKVEJ-CABCVRRESA-N 2 1 356.507 3.000 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000247109991 496781887 /nfs/dbraw/zinc/78/18/87/496781887.db2.gz SZQFLKACANKVEJ-CABCVRRESA-N 2 1 356.507 3.000 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273383401 496789602 /nfs/dbraw/zinc/78/96/02/496789602.db2.gz GJIQFWWXOPAUCG-HNNXBMFYSA-N 2 1 372.962 3.488 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273383401 496789605 /nfs/dbraw/zinc/78/96/05/496789605.db2.gz GJIQFWWXOPAUCG-HNNXBMFYSA-N 2 1 372.962 3.488 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)n1 ZINC000268804434 496790545 /nfs/dbraw/zinc/79/05/45/496790545.db2.gz CELCFVGIMWTQLZ-HOTGVXAUSA-N 2 1 354.498 3.165 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268808395 496791992 /nfs/dbraw/zinc/79/19/92/496791992.db2.gz JZFQGAAGZOKWHN-MRXNPFEDSA-N 2 1 363.571 3.084 20 0 FGADMP Cc1ccc(C)c([C@@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H](C)CO2)c1 ZINC000191512731 496792052 /nfs/dbraw/zinc/79/20/52/496792052.db2.gz OONIMEJUGNAGKP-GGAORHGYSA-N 2 1 373.585 3.481 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000191523159 496796957 /nfs/dbraw/zinc/79/69/57/496796957.db2.gz HIZLOQHAQANQQO-UHFFFAOYSA-N 2 1 372.517 3.108 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccnn1C1CCCC1 ZINC000191523159 496796960 /nfs/dbraw/zinc/79/69/60/496796960.db2.gz HIZLOQHAQANQQO-UHFFFAOYSA-N 2 1 372.517 3.108 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000268836253 496799280 /nfs/dbraw/zinc/79/92/80/496799280.db2.gz GWHVMQVGWIKAPE-INIZCTEOSA-N 2 1 353.470 3.245 20 0 FGADMP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000273462942 496812977 /nfs/dbraw/zinc/81/29/77/496812977.db2.gz OMBLEVZKLPLKJS-OAHLLOKOSA-N 2 1 372.962 3.345 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000273462942 496812983 /nfs/dbraw/zinc/81/29/83/496812983.db2.gz OMBLEVZKLPLKJS-OAHLLOKOSA-N 2 1 372.962 3.345 20 0 FGADMP C[C@@H](NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247247602 496815721 /nfs/dbraw/zinc/81/57/21/496815721.db2.gz ZIWIWOOZNSGNLR-OWCLPIDISA-N 2 1 370.534 3.248 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247247602 496815727 /nfs/dbraw/zinc/81/57/27/496815727.db2.gz ZIWIWOOZNSGNLR-OWCLPIDISA-N 2 1 370.534 3.248 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247247602 496815731 /nfs/dbraw/zinc/81/57/31/496815731.db2.gz ZIWIWOOZNSGNLR-OWCLPIDISA-N 2 1 370.534 3.248 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250361 496816859 /nfs/dbraw/zinc/81/68/59/496816859.db2.gz UKNXLLQJHDYGFA-UWJYYQICSA-N 2 1 369.509 3.372 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250361 496816864 /nfs/dbraw/zinc/81/68/64/496816864.db2.gz UKNXLLQJHDYGFA-UWJYYQICSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250361 496816875 /nfs/dbraw/zinc/81/68/75/496816875.db2.gz UKNXLLQJHDYGFA-UWJYYQICSA-N 2 1 369.509 3.372 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000247351047 496841863 /nfs/dbraw/zinc/84/18/63/496841863.db2.gz YDNIJMUQNDPPPX-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000247351047 496841868 /nfs/dbraw/zinc/84/18/68/496841868.db2.gz YDNIJMUQNDPPPX-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000247351047 496841872 /nfs/dbraw/zinc/84/18/72/496841872.db2.gz YDNIJMUQNDPPPX-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247428791 496856835 /nfs/dbraw/zinc/85/68/35/496856835.db2.gz VXNKCEYNMOPAOS-WOJBJXKFSA-N 2 1 364.578 3.158 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000191837952 496906234 /nfs/dbraw/zinc/90/62/34/496906234.db2.gz FXOLUGIETRMGQZ-MBDNFAEBSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000191837952 496906238 /nfs/dbraw/zinc/90/62/38/496906238.db2.gz FXOLUGIETRMGQZ-MBDNFAEBSA-N 2 1 370.537 3.215 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCO1 ZINC000277925438 496938156 /nfs/dbraw/zinc/93/81/56/496938156.db2.gz QEEGRKHEDRZSAG-LJQANCHMSA-N 2 1 369.509 3.251 20 0 FGADMP CC(C)C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248009995 496942471 /nfs/dbraw/zinc/94/24/71/496942471.db2.gz LEHJMGSNHMVDCW-PCCBWWKXSA-N 2 1 357.542 3.306 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000248036938 496946550 /nfs/dbraw/zinc/94/65/50/496946550.db2.gz RXZDXCRYJJKZMC-CKEIUWERSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000248036938 496946557 /nfs/dbraw/zinc/94/65/57/496946557.db2.gz RXZDXCRYJJKZMC-CKEIUWERSA-N 2 1 373.324 3.149 20 0 FGADMP CC[N@H+]1CC[C@H](NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000248121914 496956238 /nfs/dbraw/zinc/95/62/38/496956238.db2.gz NMGCXNJJQZBSOI-ZJOUEHCJSA-N 2 1 359.558 3.206 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000248151131 496964115 /nfs/dbraw/zinc/96/41/15/496964115.db2.gz QUDRFFYMBHCKJE-KNQAVFIVSA-N 2 1 364.537 3.469 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000248179270 496969722 /nfs/dbraw/zinc/96/97/22/496969722.db2.gz WCYDGBWYJKWGFQ-NVXWUHKLSA-N 2 1 360.889 3.349 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000248179270 496969725 /nfs/dbraw/zinc/96/97/25/496969725.db2.gz WCYDGBWYJKWGFQ-NVXWUHKLSA-N 2 1 360.889 3.349 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000248184684 496970321 /nfs/dbraw/zinc/97/03/21/496970321.db2.gz XBOBAKABPFSLPY-ZOBUZTSGSA-N 2 1 366.347 3.348 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC[C@@H]21 ZINC000248214942 496972646 /nfs/dbraw/zinc/97/26/46/496972646.db2.gz ZLRDVTANSLGBBP-GJYPPUQNSA-N 2 1 363.571 3.368 20 0 FGADMP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000248410867 497000972 /nfs/dbraw/zinc/00/09/72/497000972.db2.gz YPCYKCWHVFPUCA-KMQSCTNJSA-N 2 1 350.510 3.157 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000248436061 497009853 /nfs/dbraw/zinc/00/98/53/497009853.db2.gz GDJLOJCLNFIAOA-PKTZIBPZSA-N 2 1 350.506 3.364 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000248446447 497013767 /nfs/dbraw/zinc/01/37/67/497013767.db2.gz MYMAGBCBPVJQLT-VAMGGRTRSA-N 2 1 362.489 3.397 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000248545500 497035733 /nfs/dbraw/zinc/03/57/33/497035733.db2.gz DLDKSNKGRQTQTN-AOIWGVFYSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000248545500 497035735 /nfs/dbraw/zinc/03/57/35/497035735.db2.gz DLDKSNKGRQTQTN-AOIWGVFYSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000248545501 497035750 /nfs/dbraw/zinc/03/57/50/497035750.db2.gz DLDKSNKGRQTQTN-LMMKCTJWSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000248545501 497035752 /nfs/dbraw/zinc/03/57/52/497035752.db2.gz DLDKSNKGRQTQTN-LMMKCTJWSA-N 2 1 371.525 3.043 20 0 FGADMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000278314999 497072757 /nfs/dbraw/zinc/07/27/57/497072757.db2.gz DLWIIRBDGDQYCM-MOPGFXCFSA-N 2 1 350.478 3.082 20 0 FGADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352609 497083643 /nfs/dbraw/zinc/08/36/43/497083643.db2.gz AWOKRJVOIIRMND-IRXDYDNUSA-N 2 1 350.503 3.164 20 0 FGADMP CC[C@H](C)[N@H+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000248729545 497090015 /nfs/dbraw/zinc/09/00/15/497090015.db2.gz OBLCRRBHVGLZMB-IPELMVKDSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000248729545 497090019 /nfs/dbraw/zinc/09/00/19/497090019.db2.gz OBLCRRBHVGLZMB-IPELMVKDSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000248729545 497090024 /nfs/dbraw/zinc/09/00/24/497090024.db2.gz OBLCRRBHVGLZMB-IPELMVKDSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000248729545 497090028 /nfs/dbraw/zinc/09/00/28/497090028.db2.gz OBLCRRBHVGLZMB-IPELMVKDSA-N 2 1 353.938 3.032 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000248888396 497126813 /nfs/dbraw/zinc/12/68/13/497126813.db2.gz YGAIMBQLRZYVSM-NJDAHSKKSA-N 2 1 363.590 3.359 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236651955 497127663 /nfs/dbraw/zinc/12/76/63/497127663.db2.gz JQIGDRZFQPEOOC-SFTDATJTSA-N 2 1 351.494 3.276 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000236728297 497138575 /nfs/dbraw/zinc/13/85/75/497138575.db2.gz VCCKOQUYKLHXNC-HXUWFJFHSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000265570075 497141182 /nfs/dbraw/zinc/14/11/82/497141182.db2.gz HDEYBYNTYBYIHY-QGZVFWFLSA-N 2 1 355.482 3.447 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675579 497158840 /nfs/dbraw/zinc/15/88/40/497158840.db2.gz ZELVDOOGBPDTOJ-VQIMIIECSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675579 497158843 /nfs/dbraw/zinc/15/88/43/497158843.db2.gz ZELVDOOGBPDTOJ-VQIMIIECSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675579 497158847 /nfs/dbraw/zinc/15/88/47/497158847.db2.gz ZELVDOOGBPDTOJ-VQIMIIECSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675579 497158849 /nfs/dbraw/zinc/15/88/49/497158849.db2.gz ZELVDOOGBPDTOJ-VQIMIIECSA-N 2 1 370.497 3.297 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000249099447 497166793 /nfs/dbraw/zinc/16/67/93/497166793.db2.gz NHYWMCGDHYYZFI-FYZZASKESA-N 2 1 358.526 3.466 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000274817340 497174480 /nfs/dbraw/zinc/17/44/80/497174480.db2.gz JBHRSOWDULGABM-JENIJYKNSA-N 2 1 371.550 3.426 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000274817340 497174482 /nfs/dbraw/zinc/17/44/82/497174482.db2.gz JBHRSOWDULGABM-JENIJYKNSA-N 2 1 371.550 3.426 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000249426834 497202670 /nfs/dbraw/zinc/20/26/70/497202670.db2.gz IWXQLZLNYNEWEY-YOEHRIQHSA-N 2 1 368.543 3.070 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000249426834 497202673 /nfs/dbraw/zinc/20/26/73/497202673.db2.gz IWXQLZLNYNEWEY-YOEHRIQHSA-N 2 1 368.543 3.070 20 0 FGADMP CN1c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000249460261 497206297 /nfs/dbraw/zinc/20/62/97/497206297.db2.gz QSLAUKASBRLBSY-GHTZIAJQSA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2CCC1=O ZINC000249460261 497206300 /nfs/dbraw/zinc/20/63/00/497206300.db2.gz QSLAUKASBRLBSY-GHTZIAJQSA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2CCC1=O ZINC000249460261 497206306 /nfs/dbraw/zinc/20/63/06/497206306.db2.gz QSLAUKASBRLBSY-GHTZIAJQSA-N 2 1 353.510 3.044 20 0 FGADMP CC(C)[NH+]1CCN(CCC[NH2+][C@H](c2nccs2)c2ccccc2)CC1 ZINC000192765606 497207732 /nfs/dbraw/zinc/20/77/32/497207732.db2.gz UPKOIXMPTOICLT-IBGZPJMESA-N 2 1 358.555 3.238 20 0 FGADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237325049 497220269 /nfs/dbraw/zinc/22/02/69/497220269.db2.gz MSBFXYJGXAIOMJ-JLJPHGGASA-N 2 1 371.447 3.060 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2c(F)cccc2F)C2CC2)CC1 ZINC000192845063 497228182 /nfs/dbraw/zinc/22/81/82/497228182.db2.gz BMOGOMGDERBSFV-UHFFFAOYSA-N 2 1 351.485 3.345 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2c(F)cccc2F)C2CC2)CC1 ZINC000192845063 497228186 /nfs/dbraw/zinc/22/81/86/497228186.db2.gz BMOGOMGDERBSFV-UHFFFAOYSA-N 2 1 351.485 3.345 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000237452420 497239343 /nfs/dbraw/zinc/23/93/43/497239343.db2.gz PNHLBPYLDCTGST-VBKZILBWSA-N 2 1 366.440 3.272 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237565257 497255873 /nfs/dbraw/zinc/25/58/73/497255873.db2.gz RMTMNYAXHGZNRK-QMMLZNLJSA-N 2 1 351.494 3.198 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)nc(C)n1 ZINC000574972562 505894770 /nfs/dbraw/zinc/89/47/70/505894770.db2.gz VTGLPHULSQFSQN-LEWJYISDSA-N 2 1 365.525 3.145 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237673267 497274084 /nfs/dbraw/zinc/27/40/84/497274084.db2.gz UCTAFCXTTYZOCX-UHFFFAOYSA-N 2 1 363.933 3.154 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237673267 497274091 /nfs/dbraw/zinc/27/40/91/497274091.db2.gz UCTAFCXTTYZOCX-UHFFFAOYSA-N 2 1 363.933 3.154 20 0 FGADMP c1csc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000271248419 497302977 /nfs/dbraw/zinc/30/29/77/497302977.db2.gz GVDQVPYGHYTBHQ-FQEVSTJZSA-N 2 1 355.551 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000279142902 497347758 /nfs/dbraw/zinc/34/77/58/497347758.db2.gz SAXFQLWGSBNCLB-PWRODBHTSA-N 2 1 364.493 3.040 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444268 497351409 /nfs/dbraw/zinc/35/14/09/497351409.db2.gz CSYMODACVFMGMF-HSALFYBXSA-N 2 1 356.510 3.400 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@H+]1C ZINC000279192707 497363022 /nfs/dbraw/zinc/36/30/22/497363022.db2.gz LQWNSFHKANGLIU-IEZWGBDMSA-N 2 1 363.933 3.323 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558917 497383468 /nfs/dbraw/zinc/38/34/68/497383468.db2.gz WLVTWIVGHCHECA-KZNAEPCWSA-N 2 1 350.503 3.330 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000575007557 505904041 /nfs/dbraw/zinc/90/40/41/505904041.db2.gz FAACFFQGSJHXMG-NQIIRXRSSA-N 2 1 368.525 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427465 497399826 /nfs/dbraw/zinc/39/98/26/497399826.db2.gz MATSMJFRNRXIBD-RXVVDRJESA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427465 497399836 /nfs/dbraw/zinc/39/98/36/497399836.db2.gz MATSMJFRNRXIBD-RXVVDRJESA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427465 497399837 /nfs/dbraw/zinc/39/98/37/497399837.db2.gz MATSMJFRNRXIBD-RXVVDRJESA-N 2 1 357.542 3.475 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000275709843 497410466 /nfs/dbraw/zinc/41/04/66/497410466.db2.gz UNOIDRIYRVZBHI-WIYYLYMNSA-N 2 1 370.541 3.271 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261609897 497419153 /nfs/dbraw/zinc/41/91/53/497419153.db2.gz BUOAKXKIJNIQKE-KNQAVFIVSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261609897 497419156 /nfs/dbraw/zinc/41/91/56/497419156.db2.gz BUOAKXKIJNIQKE-KNQAVFIVSA-N 2 1 357.542 3.318 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245466355 497420570 /nfs/dbraw/zinc/42/05/70/497420570.db2.gz RDIKAWWXRGUYSO-SCTDSRPQSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000261778579 497449495 /nfs/dbraw/zinc/44/94/95/497449495.db2.gz JHTVPIVHUDUKRU-OTWHNJEPSA-N 2 1 357.542 3.170 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271892435 497481335 /nfs/dbraw/zinc/48/13/35/497481335.db2.gz SFVAKBJTRCANNM-CYBMUJFWSA-N 2 1 366.303 3.018 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000262022943 497494431 /nfs/dbraw/zinc/49/44/31/497494431.db2.gz YJUQVLHEXZUSDI-NRFANRHFSA-N 2 1 371.550 3.275 20 0 FGADMP C[NH2+]CCC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000262021971 497494501 /nfs/dbraw/zinc/49/45/01/497494501.db2.gz YDCSMPZTZREKSM-UHFFFAOYSA-N 2 1 366.571 3.079 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000245668808 497495582 /nfs/dbraw/zinc/49/55/82/497495582.db2.gz FCTXJPYNMWFTFH-CEXWTWQISA-N 2 1 374.529 3.075 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262136158 497514384 /nfs/dbraw/zinc/51/43/84/497514384.db2.gz YQCXTWYIMOYBDY-JOCHJYFZSA-N 2 1 352.526 3.414 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262136158 497514387 /nfs/dbraw/zinc/51/43/87/497514387.db2.gz YQCXTWYIMOYBDY-JOCHJYFZSA-N 2 1 352.526 3.414 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@@H]2CCOC2)C3)cc1 ZINC000245717301 497515451 /nfs/dbraw/zinc/51/54/51/497515451.db2.gz OFAUYXBMWHFLRH-MYGLTJDJSA-N 2 1 358.526 3.215 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267312986 497523728 /nfs/dbraw/zinc/52/37/28/497523728.db2.gz CFADBXQOUBJCIP-WIYYLYMNSA-N 2 1 372.557 3.069 20 0 FGADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245746946 497526730 /nfs/dbraw/zinc/52/67/30/497526730.db2.gz MZBGOPYXJSJITL-IEBWSBKVSA-N 2 1 360.498 3.077 20 0 FGADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245746946 497526735 /nfs/dbraw/zinc/52/67/35/497526735.db2.gz MZBGOPYXJSJITL-IEBWSBKVSA-N 2 1 360.498 3.077 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231822 497527123 /nfs/dbraw/zinc/52/71/23/497527123.db2.gz GXECRVLYAWGMDS-IKCASOAWSA-N 2 1 369.553 3.167 20 0 FGADMP CCc1nn(C)c(OC)c1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245753406 497527938 /nfs/dbraw/zinc/52/79/38/497527938.db2.gz ULOVGHRFYVWQFO-REPLKXPHSA-N 2 1 368.525 3.276 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394111 497549203 /nfs/dbraw/zinc/54/92/03/497549203.db2.gz ZCJKYPOTVTUFPH-JTVBLWFRSA-N 2 1 355.526 3.092 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1=CC[NH+](C)CC1 ZINC000272150343 497549659 /nfs/dbraw/zinc/54/96/59/497549659.db2.gz ZZNQGLXPLPOLKH-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272150343 497549664 /nfs/dbraw/zinc/54/96/64/497549664.db2.gz ZZNQGLXPLPOLKH-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC1=CC[N@@H+](C)CC1 ZINC000272150343 497549669 /nfs/dbraw/zinc/54/96/69/497549669.db2.gz ZZNQGLXPLPOLKH-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183040 497596157 /nfs/dbraw/zinc/59/61/57/497596157.db2.gz MLKJWVILSZPBDE-VQTJNVASSA-N 2 1 374.573 3.174 20 0 FGADMP CCOC(=O)c1ccc2c(c1)nc(C[NH+]1CCC(CC[NH2+]C)CC1)n2CC ZINC000581133011 505917125 /nfs/dbraw/zinc/91/71/25/505917125.db2.gz WELUJZNQVMPLKQ-UHFFFAOYSA-N 2 1 372.513 3.054 20 0 FGADMP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246054086 497606209 /nfs/dbraw/zinc/60/62/09/497606209.db2.gz CLBDFNVJSGNZME-BEFAXECRSA-N 2 1 355.486 3.025 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246054086 497606212 /nfs/dbraw/zinc/60/62/12/497606212.db2.gz CLBDFNVJSGNZME-BEFAXECRSA-N 2 1 355.486 3.025 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)on1 ZINC000246070401 497610489 /nfs/dbraw/zinc/61/04/89/497610489.db2.gz SDJQMPJDGOLSLT-SJORKVTESA-N 2 1 362.518 3.287 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000246083657 497616121 /nfs/dbraw/zinc/61/61/21/497616121.db2.gz LFQCWQVZMYVINS-JKSUJKDBSA-N 2 1 357.502 3.271 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246083657 497616124 /nfs/dbraw/zinc/61/61/24/497616124.db2.gz LFQCWQVZMYVINS-JKSUJKDBSA-N 2 1 357.502 3.271 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246083657 497616127 /nfs/dbraw/zinc/61/61/27/497616127.db2.gz LFQCWQVZMYVINS-JKSUJKDBSA-N 2 1 357.502 3.271 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000262772160 497617682 /nfs/dbraw/zinc/61/76/82/497617682.db2.gz JAZXHRYVFHNZKK-OFNKIYASSA-N 2 1 365.521 3.231 20 0 FGADMP C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000246109640 497625096 /nfs/dbraw/zinc/62/50/96/497625096.db2.gz DRKNUCIIBSJANS-MSOLQXFVSA-N 2 1 357.542 3.016 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246133664 497632831 /nfs/dbraw/zinc/63/28/31/497632831.db2.gz YJYZZECPRUQSKJ-OXQOHEQNSA-N 2 1 369.513 3.415 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246133664 497632837 /nfs/dbraw/zinc/63/28/37/497632837.db2.gz YJYZZECPRUQSKJ-OXQOHEQNSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000190946459 497656044 /nfs/dbraw/zinc/65/60/44/497656044.db2.gz USPFIVUEEUEHJM-UHFFFAOYSA-N 2 1 357.464 3.377 20 0 FGADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216792 497664282 /nfs/dbraw/zinc/66/42/82/497664282.db2.gz PVUQJBAXEDWADL-LSDHHAIUSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216792 497664284 /nfs/dbraw/zinc/66/42/84/497664284.db2.gz PVUQJBAXEDWADL-LSDHHAIUSA-N 2 1 373.324 3.151 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564210 497664379 /nfs/dbraw/zinc/66/43/79/497664379.db2.gz GZLMXJMIEJRDEW-NQIIRXRSSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564210 497664380 /nfs/dbraw/zinc/66/43/80/497664380.db2.gz GZLMXJMIEJRDEW-NQIIRXRSSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000246228390 497668785 /nfs/dbraw/zinc/66/87/85/497668785.db2.gz HMRUGEXOFPAZBH-RVKKMQEKSA-N 2 1 351.922 3.085 20 0 FGADMP Brc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000268144584 497686921 /nfs/dbraw/zinc/68/69/21/497686921.db2.gz QLYRXNKTUQVXHP-RYRKJORJSA-N 2 1 364.331 3.244 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330560 497696933 /nfs/dbraw/zinc/69/69/33/497696933.db2.gz IAMUQEWUXGMEGH-WSTZPKSXSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330560 497696939 /nfs/dbraw/zinc/69/69/39/497696939.db2.gz IAMUQEWUXGMEGH-WSTZPKSXSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330560 497696947 /nfs/dbraw/zinc/69/69/47/497696947.db2.gz IAMUQEWUXGMEGH-WSTZPKSXSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(F)cc2)C1 ZINC000246330560 497696952 /nfs/dbraw/zinc/69/69/52/497696952.db2.gz IAMUQEWUXGMEGH-WSTZPKSXSA-N 2 1 364.505 3.152 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246329933 497697333 /nfs/dbraw/zinc/69/73/33/497697333.db2.gz FZTXDPKCEJXGJP-SJORKVTESA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246329933 497697340 /nfs/dbraw/zinc/69/73/40/497697340.db2.gz FZTXDPKCEJXGJP-SJORKVTESA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000581162974 505923731 /nfs/dbraw/zinc/92/37/31/505923731.db2.gz HXSXUTGORYJMAT-DZFGPLHGSA-N 2 1 359.558 3.334 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246350417 497705148 /nfs/dbraw/zinc/70/51/48/497705148.db2.gz MLXTTWLSSZSKBS-ZWKOTPCHSA-N 2 1 354.583 3.020 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(F)c3F)CC2)CC1 ZINC000578376157 505925932 /nfs/dbraw/zinc/92/59/32/505925932.db2.gz RXKHPJDWTPCFEL-UHFFFAOYSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442724 497736068 /nfs/dbraw/zinc/73/60/68/497736068.db2.gz IACXPCXCHFMIQT-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272867534 497748523 /nfs/dbraw/zinc/74/85/23/497748523.db2.gz WBFPMQYMKPWRMJ-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246489039 497751264 /nfs/dbraw/zinc/75/12/64/497751264.db2.gz WCEYNTHKPFERNX-KSZLIROESA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246489039 497751267 /nfs/dbraw/zinc/75/12/67/497751267.db2.gz WCEYNTHKPFERNX-KSZLIROESA-N 2 1 352.567 3.011 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)[C@@H](C)C1 ZINC000246508314 497757925 /nfs/dbraw/zinc/75/79/25/497757925.db2.gz TYKJOGXDPAKYLF-FUHWJXTLSA-N 2 1 354.922 3.445 20 0 FGADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000246558866 497773958 /nfs/dbraw/zinc/77/39/58/497773958.db2.gz UHWZXYTYEQDNHX-KYNGSXCRSA-N 2 1 359.901 3.395 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246559136 497774158 /nfs/dbraw/zinc/77/41/58/497774158.db2.gz ZBDGJOLBJQTWGL-TZIWHRDSSA-N 2 1 372.557 3.243 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246833039 497814833 /nfs/dbraw/zinc/81/48/33/497814833.db2.gz OHEWOMSQVOCPRP-VCOUNFBDSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246833039 497814834 /nfs/dbraw/zinc/81/48/34/497814834.db2.gz OHEWOMSQVOCPRP-VCOUNFBDSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246833039 497814835 /nfs/dbraw/zinc/81/48/35/497814835.db2.gz OHEWOMSQVOCPRP-VCOUNFBDSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246833039 497814837 /nfs/dbraw/zinc/81/48/37/497814837.db2.gz OHEWOMSQVOCPRP-VCOUNFBDSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846192 497815887 /nfs/dbraw/zinc/81/58/87/497815887.db2.gz BVWMKNFTBAUHQP-GLHLROKDSA-N 2 1 351.535 3.235 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870337 497817722 /nfs/dbraw/zinc/81/77/22/497817722.db2.gz COHHZIMLAMQDDO-AVRDEDQJSA-N 3 1 359.558 3.227 20 0 FGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870337 497817723 /nfs/dbraw/zinc/81/77/23/497817723.db2.gz COHHZIMLAMQDDO-AVRDEDQJSA-N 2 1 359.558 3.227 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c2nccn21 ZINC000334108254 497874568 /nfs/dbraw/zinc/87/45/68/497874568.db2.gz ZSKQEPXUJUMUMO-BDXSIMOUSA-N 2 1 359.518 3.185 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000296078194 497912865 /nfs/dbraw/zinc/91/28/65/497912865.db2.gz SLICKGRLZPGGBX-CTNGQTDRSA-N 2 1 367.541 3.077 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292182945 497913269 /nfs/dbraw/zinc/91/32/69/497913269.db2.gz OQHONDCBOFCBKM-DZFGPLHGSA-N 2 1 364.505 3.120 20 0 FGADMP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357377 497917072 /nfs/dbraw/zinc/91/70/72/497917072.db2.gz RMQPRXLNLIHJDV-DYESRHJHSA-N 2 1 350.510 3.397 20 0 FGADMP COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360912 505950054 /nfs/dbraw/zinc/95/00/54/505950054.db2.gz QWARBZLADXEMST-DYESRHJHSA-N 2 1 369.509 3.146 20 0 FGADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000578592921 505974845 /nfs/dbraw/zinc/97/48/45/505974845.db2.gz QPAPVILRRDTPJC-ZPMCFJSWSA-N 2 1 359.558 3.050 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(C3OCCO3)s2)c1 ZINC000289255225 498079958 /nfs/dbraw/zinc/07/99/58/498079958.db2.gz MEUDERRBIKIYOQ-UHFFFAOYSA-N 2 1 361.511 3.319 20 0 FGADMP CN(CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1)Cc1ccco1 ZINC000285463145 498093948 /nfs/dbraw/zinc/09/39/48/498093948.db2.gz AIPHNBHBIOHDAX-IBGZPJMESA-N 2 1 369.509 3.196 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2ccccn2c1Br ZINC000289296532 498095422 /nfs/dbraw/zinc/09/54/22/498095422.db2.gz QHGFEWSJWLDNCR-LBPRGKRZSA-N 2 1 362.275 3.028 20 0 FGADMP COC(=O)c1oc([C@@H](C)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1C ZINC000364708164 498104017 /nfs/dbraw/zinc/10/40/17/498104017.db2.gz RLDSMXUUQBLJQP-AYBZRNKSSA-N 2 1 371.481 3.455 20 0 FGADMP COC(=O)c1oc([C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1C ZINC000364708164 498104020 /nfs/dbraw/zinc/10/40/20/498104020.db2.gz RLDSMXUUQBLJQP-AYBZRNKSSA-N 2 1 371.481 3.455 20 0 FGADMP CC(C)C[C@H](CNC(=O)c1csc(C[NH3+])n1)[NH2+][C@H](C)c1ccccc1 ZINC000578622989 505983386 /nfs/dbraw/zinc/98/33/86/505983386.db2.gz HMOQATBHKWBXOB-GDBMZVCRSA-N 2 1 360.527 3.097 20 0 FGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000281517017 498177797 /nfs/dbraw/zinc/17/77/97/498177797.db2.gz HOAUCEFJYRTESR-LJQANCHMSA-N 2 1 370.472 3.487 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000575759096 505997861 /nfs/dbraw/zinc/99/78/61/505997861.db2.gz KTDJFCPNZCKBMR-HKUYNNGSSA-N 2 1 363.933 3.133 20 0 FGADMP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975394 498219996 /nfs/dbraw/zinc/21/99/96/498219996.db2.gz QKVADTMLVXKXLJ-CRAIPNDOSA-N 2 1 371.481 3.285 20 0 FGADMP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975394 498220006 /nfs/dbraw/zinc/22/00/06/498220006.db2.gz QKVADTMLVXKXLJ-CRAIPNDOSA-N 2 1 371.481 3.285 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000364948170 498223692 /nfs/dbraw/zinc/22/36/92/498223692.db2.gz XKDPFFATUVZGDG-GOSISDBHSA-N 2 1 350.470 3.246 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000364948170 498223696 /nfs/dbraw/zinc/22/36/96/498223696.db2.gz XKDPFFATUVZGDG-GOSISDBHSA-N 2 1 350.470 3.246 20 0 FGADMP c1cc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000359979590 498233181 /nfs/dbraw/zinc/23/31/81/498233181.db2.gz UBBWVAXXTDTFON-NJDAHSKKSA-N 2 1 355.526 3.026 20 0 FGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000281753410 498257854 /nfs/dbraw/zinc/25/78/54/498257854.db2.gz WAEKZFKSHXMFAI-NQIIRXRSSA-N 2 1 370.468 3.178 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285990252 498261597 /nfs/dbraw/zinc/26/15/97/498261597.db2.gz GZFYWWXVFCHEGJ-ZOBUZTSGSA-N 2 1 357.498 3.321 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@H+]1C ZINC000289763522 498281419 /nfs/dbraw/zinc/28/14/19/498281419.db2.gz LTLPJZYFRPAZDL-SWLSCSKDSA-N 2 1 368.403 3.414 20 0 FGADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000569809356 506021983 /nfs/dbraw/zinc/02/19/83/506021983.db2.gz GMIYJZYGFNWXCM-MJGOQNOKSA-N 2 1 372.557 3.388 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)o1 ZINC000282032510 498366067 /nfs/dbraw/zinc/36/60/67/498366067.db2.gz LAJIQHGPGIAOAB-OAHLLOKOSA-N 2 1 357.454 3.369 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803236 506023424 /nfs/dbraw/zinc/02/34/24/506023424.db2.gz OPDKMXJHBSLZHD-LJQANCHMSA-N 3 1 358.574 3.037 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803236 506023426 /nfs/dbraw/zinc/02/34/26/506023426.db2.gz OPDKMXJHBSLZHD-LJQANCHMSA-N 2 1 358.574 3.037 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000578803236 506023427 /nfs/dbraw/zinc/02/34/27/506023427.db2.gz OPDKMXJHBSLZHD-LJQANCHMSA-N 2 1 358.574 3.037 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000365273122 498381945 /nfs/dbraw/zinc/38/19/45/498381945.db2.gz YSPTUYOPCINNJR-BVYCBKJFSA-N 2 1 368.525 3.160 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000569837391 506028520 /nfs/dbraw/zinc/02/85/20/506028520.db2.gz PLKPVXCQKDXHIK-MRXNPFEDSA-N 2 1 365.905 3.306 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685285 498418313 /nfs/dbraw/zinc/41/83/13/498418313.db2.gz MTONHLAJGSTDEZ-PKOBYXMFSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581634126 506032642 /nfs/dbraw/zinc/03/26/42/506032642.db2.gz AMGOQHXWQLFTHG-CEWLAPEOSA-N 2 1 369.553 3.420 20 0 FGADMP CCC(CC)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000361811618 498435119 /nfs/dbraw/zinc/43/51/19/498435119.db2.gz ISGWRBUFCMTGQC-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc[nH+]cc2C(N)=O)C1 ZINC000302207893 498443001 /nfs/dbraw/zinc/44/30/01/498443001.db2.gz FKOHBKSMESMPBA-IYBDPMFKSA-N 2 1 352.482 3.271 20 0 FGADMP CCC[N@H+](CCCn1ccnc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361988549 498449375 /nfs/dbraw/zinc/44/93/75/498449375.db2.gz WLKPMXGRHMRTFI-UHFFFAOYSA-N 2 1 356.518 3.061 20 0 FGADMP CCC[N@@H+](CCCn1ccnc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361988549 498449377 /nfs/dbraw/zinc/44/93/77/498449377.db2.gz WLKPMXGRHMRTFI-UHFFFAOYSA-N 2 1 356.518 3.061 20 0 FGADMP COCC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCOCC1 ZINC000293688429 498454693 /nfs/dbraw/zinc/45/46/93/498454693.db2.gz NOAAKDBXMDXARW-UHFFFAOYSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000293695906 498458055 /nfs/dbraw/zinc/45/80/55/498458055.db2.gz MUAKXBSGNPVUGC-GOSISDBHSA-N 2 1 355.526 3.229 20 0 FGADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000362252783 498481026 /nfs/dbraw/zinc/48/10/26/498481026.db2.gz BKRXTOGCGLBJQN-FQEVSTJZSA-N 2 1 352.526 3.144 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000365538549 498521562 /nfs/dbraw/zinc/52/15/62/498521562.db2.gz NEHRDZARCPFWFU-HBMCJLEFSA-N 2 1 355.526 3.085 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569924612 506049572 /nfs/dbraw/zinc/04/95/72/506049572.db2.gz AKUYBYIYONWYJU-FNHZYXHNSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569924612 506049573 /nfs/dbraw/zinc/04/95/73/506049573.db2.gz AKUYBYIYONWYJU-FNHZYXHNSA-N 2 1 367.896 3.261 20 0 FGADMP COc1ccc(C[N@@H+](CCc2cncn2C)CCc2ccccn2)cc1 ZINC000297818765 498577293 /nfs/dbraw/zinc/57/72/93/498577293.db2.gz YUBJXZJINGNOBS-UHFFFAOYSA-N 2 1 350.466 3.111 20 0 FGADMP C[C@@H](O)c1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519749 498583079 /nfs/dbraw/zinc/58/30/79/498583079.db2.gz XMSGLBUSGOQDDP-OLMMMNRUSA-N 2 1 359.539 3.443 20 0 FGADMP C[C@@H](O)c1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519749 498583087 /nfs/dbraw/zinc/58/30/87/498583087.db2.gz XMSGLBUSGOQDDP-OLMMMNRUSA-N 2 1 359.539 3.443 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000282628604 498586928 /nfs/dbraw/zinc/58/69/28/498586928.db2.gz KCNQFUPVOJNQHC-IBGZPJMESA-N 2 1 370.541 3.441 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000363061102 498629873 /nfs/dbraw/zinc/62/98/73/498629873.db2.gz HZVDJVALEMTINQ-LJQANCHMSA-N 2 1 373.545 3.055 20 0 FGADMP C[NH+](C)C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000576059183 506066749 /nfs/dbraw/zinc/06/67/49/506066749.db2.gz PWAWATKPAKZZFH-ICSRJNTNSA-N 2 1 373.928 3.404 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061327 498644636 /nfs/dbraw/zinc/64/46/36/498644636.db2.gz XOFQEMXJSNCCCK-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303061327 498644643 /nfs/dbraw/zinc/64/46/43/498644643.db2.gz XOFQEMXJSNCCCK-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000303061327 498644646 /nfs/dbraw/zinc/64/46/46/498644646.db2.gz XOFQEMXJSNCCCK-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000303434335 498673940 /nfs/dbraw/zinc/67/39/40/498673940.db2.gz CYHSNXKNSBYRSQ-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000303434335 498673947 /nfs/dbraw/zinc/67/39/47/498673947.db2.gz CYHSNXKNSBYRSQ-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000303524691 498686711 /nfs/dbraw/zinc/68/67/11/498686711.db2.gz DASURHIRSIYLBP-IBGZPJMESA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(C)c(C)c3)CC2)CC1 ZINC000572899151 506079206 /nfs/dbraw/zinc/07/92/06/506079206.db2.gz VCNUFUZGWPLFNT-UHFFFAOYSA-N 2 1 371.569 3.458 20 0 FGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000576124488 506083219 /nfs/dbraw/zinc/08/32/19/506083219.db2.gz HGLFNTNKWVGMKJ-OAQYLSRUSA-N 2 1 352.526 3.144 20 0 FGADMP COC(=O)c1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cc1F ZINC000311600202 498752984 /nfs/dbraw/zinc/75/29/84/498752984.db2.gz GNWIWPCEZQLVNF-QRWLVFNGSA-N 2 1 356.441 3.365 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc3sc(C)c(C)c3c(N)n2)CC1 ZINC000332665869 498758150 /nfs/dbraw/zinc/75/81/50/498758150.db2.gz YGVDUYFGUXVNNE-UHFFFAOYSA-N 2 1 361.559 3.444 20 0 FGADMP C[C@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)C[NH+]1CCCCC1 ZINC000314482949 498776499 /nfs/dbraw/zinc/77/64/99/498776499.db2.gz AHZBBNPBECQRKE-CYBMUJFWSA-N 2 1 369.303 3.389 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149329 506088407 /nfs/dbraw/zinc/08/84/07/506088407.db2.gz SZFMRPBTZBAQQI-CBQOVEMMSA-N 2 1 360.542 3.009 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000318289388 498797146 /nfs/dbraw/zinc/79/71/46/498797146.db2.gz KWPPRZLDFGUQLB-UHFFFAOYSA-N 2 1 369.303 3.009 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366149013 498798272 /nfs/dbraw/zinc/79/82/72/498798272.db2.gz WAVYGFYYDCITKC-ZACQAIPSSA-N 2 1 362.518 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618752 498816539 /nfs/dbraw/zinc/81/65/39/498816539.db2.gz JRJIIYSERAWAJR-UEXGIBASSA-N 2 1 371.529 3.055 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000570122077 506094658 /nfs/dbraw/zinc/09/46/58/506094658.db2.gz VFKRNYLIBDSVNM-WOJBJXKFSA-N 2 1 374.573 3.318 20 0 FGADMP CO[C@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221831 498821898 /nfs/dbraw/zinc/82/18/98/498821898.db2.gz SUOUCBHHSVEHSU-WOJBJXKFSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221831 498821903 /nfs/dbraw/zinc/82/19/03/498821903.db2.gz SUOUCBHHSVEHSU-WOJBJXKFSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221831 498821906 /nfs/dbraw/zinc/82/19/06/498821906.db2.gz SUOUCBHHSVEHSU-WOJBJXKFSA-N 2 1 365.949 3.129 20 0 FGADMP C[C@H](c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000294891811 498840465 /nfs/dbraw/zinc/84/04/65/498840465.db2.gz GHHWHCSSIYYUFL-MRXNPFEDSA-N 2 1 357.464 3.422 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(F)cn1 ZINC000287703993 498842434 /nfs/dbraw/zinc/84/24/34/498842434.db2.gz NSYUXDOVMGPFDD-HNNXBMFYSA-N 2 1 373.472 3.037 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)cc(OC)c1O ZINC000298703792 498854158 /nfs/dbraw/zinc/85/41/58/498854158.db2.gz QRQMTPISQGNNCO-UHFFFAOYSA-N 2 1 370.493 3.472 20 0 FGADMP CC(C)OC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000363508754 498854506 /nfs/dbraw/zinc/85/45/06/498854506.db2.gz RBFUCUGITSAIAQ-UHFFFAOYSA-N 2 1 374.525 3.327 20 0 FGADMP CC(C)OC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000363508754 498854510 /nfs/dbraw/zinc/85/45/10/498854510.db2.gz RBFUCUGITSAIAQ-UHFFFAOYSA-N 2 1 374.525 3.327 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ncn1 ZINC000332991908 498859781 /nfs/dbraw/zinc/85/97/81/498859781.db2.gz ABWTWSXDYPNQRM-IIMDRIAPSA-N 2 1 373.545 3.013 20 0 FGADMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000570153458 506103185 /nfs/dbraw/zinc/10/31/85/506103185.db2.gz GYNBBFBSHHMTRP-HSALFYBXSA-N 2 1 353.466 3.121 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581941826 506095816 /nfs/dbraw/zinc/09/58/16/506095816.db2.gz GUQYSUDORHQOAD-AEFFLSMTSA-N 2 1 355.885 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581941826 506095819 /nfs/dbraw/zinc/09/58/19/506095819.db2.gz GUQYSUDORHQOAD-AEFFLSMTSA-N 2 1 355.885 3.248 20 0 FGADMP COc1cccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881272 498906225 /nfs/dbraw/zinc/90/62/25/498906225.db2.gz KESXZMJLZNDWEA-DLBZAZTESA-N 2 1 359.514 3.266 20 0 FGADMP CC[NH+]1CCC([N@H+](Cc2ccc(Cl)cc2-n2cncn2)C2CC2)CC1 ZINC000366429959 498924154 /nfs/dbraw/zinc/92/41/54/498924154.db2.gz LYKYWEPZLAFOJB-UHFFFAOYSA-N 2 1 359.905 3.369 20 0 FGADMP CC[NH+]1CCC([N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C2CC2)CC1 ZINC000366429959 498924158 /nfs/dbraw/zinc/92/41/58/498924158.db2.gz LYKYWEPZLAFOJB-UHFFFAOYSA-N 2 1 359.905 3.369 20 0 FGADMP CCC[N@H+](Cc1ccnc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366459142 498936586 /nfs/dbraw/zinc/93/65/86/498936586.db2.gz MJTQHXLNYMAILF-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CCC[N@@H+](Cc1ccnc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366459142 498936591 /nfs/dbraw/zinc/93/65/91/498936591.db2.gz MJTQHXLNYMAILF-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000570207694 506115316 /nfs/dbraw/zinc/11/53/16/506115316.db2.gz MHZYKLQDKFUBQX-UIFIKXQLSA-N 2 1 365.521 3.492 20 0 FGADMP COC(=O)c1ccc(-c2nc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)cs2)cc1 ZINC000366479142 498944208 /nfs/dbraw/zinc/94/42/08/498944208.db2.gz GLLGRKSAQDELRB-FQEVSTJZSA-N 2 1 371.506 3.124 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000366507376 498957147 /nfs/dbraw/zinc/95/71/47/498957147.db2.gz APFUNKPAYDRSJE-WIYYLYMNSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000366507376 498957156 /nfs/dbraw/zinc/95/71/56/498957156.db2.gz APFUNKPAYDRSJE-WIYYLYMNSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000366507376 498957165 /nfs/dbraw/zinc/95/71/65/498957165.db2.gz APFUNKPAYDRSJE-WIYYLYMNSA-N 2 1 355.526 3.126 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532838 498968653 /nfs/dbraw/zinc/96/86/53/498968653.db2.gz TWQDKLOEIVSDKT-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532838 498968661 /nfs/dbraw/zinc/96/86/61/498968661.db2.gz TWQDKLOEIVSDKT-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000366532838 498968669 /nfs/dbraw/zinc/96/86/69/498968669.db2.gz TWQDKLOEIVSDKT-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000363794963 498996708 /nfs/dbraw/zinc/99/67/08/498996708.db2.gz FHIBEAMGVUETBG-WOUAJJJCSA-N 2 1 366.933 3.027 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cc(F)c(F)c(F)c3)no1)CC[NH2+]CC2 ZINC000333601144 499039598 /nfs/dbraw/zinc/03/95/98/499039598.db2.gz QLLKZKNVIHWXHT-NSHDSACASA-N 2 1 366.387 3.118 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(Nc3ncnc4cc(Cl)ccc43)CC2)CC1 ZINC000299477044 499071411 /nfs/dbraw/zinc/07/14/11/499071411.db2.gz XPHDKIHJIIHENU-UHFFFAOYSA-N 2 1 359.905 3.254 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329204969 499071900 /nfs/dbraw/zinc/07/19/00/499071900.db2.gz XUDQHILKGJHVMQ-HXUWFJFHSA-N 2 1 366.509 3.103 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329204969 499071904 /nfs/dbraw/zinc/07/19/04/499071904.db2.gz XUDQHILKGJHVMQ-HXUWFJFHSA-N 2 1 366.509 3.103 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333811698 499080695 /nfs/dbraw/zinc/08/06/95/499080695.db2.gz FUBJRLMZWRRITG-QWHCGFSZSA-N 2 1 363.449 3.189 20 0 FGADMP CCc1cccc(NC(=[NH2+])NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000364041868 499096924 /nfs/dbraw/zinc/09/69/24/499096924.db2.gz YKVLSMOBFUUJPV-UHFFFAOYSA-N 3 1 371.573 3.382 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000364051643 499100880 /nfs/dbraw/zinc/10/08/80/499100880.db2.gz KUEWVQNPEOMOOQ-FUHWJXTLSA-N 2 1 366.575 3.114 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071758 499143740 /nfs/dbraw/zinc/14/37/40/499143740.db2.gz CLPDRQPWJHGOLU-REWPJTCUSA-N 2 1 371.569 3.226 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000367071758 499143741 /nfs/dbraw/zinc/14/37/41/499143741.db2.gz CLPDRQPWJHGOLU-REWPJTCUSA-N 2 1 371.569 3.226 20 0 FGADMP CC[NH+](CC)Cc1cccc(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)c1 ZINC000369884249 499144964 /nfs/dbraw/zinc/14/49/64/499144964.db2.gz YFJUBGVHLXXVOK-UHFFFAOYSA-N 2 1 372.557 3.027 20 0 FGADMP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892262 499146578 /nfs/dbraw/zinc/14/65/78/499146578.db2.gz LPEKFJOXIFFIIZ-WIYYLYMNSA-N 2 1 372.557 3.084 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000367141515 499153698 /nfs/dbraw/zinc/15/36/98/499153698.db2.gz PVAXSXGBQKRCME-NRFANRHFSA-N 2 1 361.599 3.410 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367252184 499168362 /nfs/dbraw/zinc/16/83/62/499168362.db2.gz LKNHDXHWHYTBRD-FPOVZHCZSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252184 499168364 /nfs/dbraw/zinc/16/83/64/499168364.db2.gz LKNHDXHWHYTBRD-FPOVZHCZSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252184 499168365 /nfs/dbraw/zinc/16/83/65/499168365.db2.gz LKNHDXHWHYTBRD-FPOVZHCZSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367252184 499168367 /nfs/dbraw/zinc/16/83/67/499168367.db2.gz LKNHDXHWHYTBRD-FPOVZHCZSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367252184 499168368 /nfs/dbraw/zinc/16/83/68/499168368.db2.gz LKNHDXHWHYTBRD-FPOVZHCZSA-N 2 1 361.574 3.220 20 0 FGADMP CC1CC[NH+](CC2CC[NH+](Cc3cnc(C4OCCO4)s3)CC2)CC1 ZINC000367299476 499176234 /nfs/dbraw/zinc/17/62/34/499176234.db2.gz IDWRRRPAEKDWJK-UHFFFAOYSA-N 2 1 365.543 3.132 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812671 499178801 /nfs/dbraw/zinc/17/88/01/499178801.db2.gz QLHJFYRQQUGJIC-YZGWKJHDSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812671 499178805 /nfs/dbraw/zinc/17/88/05/499178805.db2.gz QLHJFYRQQUGJIC-YZGWKJHDSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812671 499178808 /nfs/dbraw/zinc/17/88/08/499178808.db2.gz QLHJFYRQQUGJIC-YZGWKJHDSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812671 499178811 /nfs/dbraw/zinc/17/88/11/499178811.db2.gz QLHJFYRQQUGJIC-YZGWKJHDSA-N 2 1 356.510 3.315 20 0 FGADMP c1nc2n(c1C[NH2+][C@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000367437860 499199033 /nfs/dbraw/zinc/19/90/33/499199033.db2.gz KADOQXTXINLRQF-TYPHKJRUSA-N 2 1 350.510 3.220 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000367690421 499224970 /nfs/dbraw/zinc/22/49/70/499224970.db2.gz YFKQXPVEXNHUIG-FQEVSTJZSA-N 2 1 374.960 3.397 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000367690421 499224972 /nfs/dbraw/zinc/22/49/72/499224972.db2.gz YFKQXPVEXNHUIG-FQEVSTJZSA-N 2 1 374.960 3.397 20 0 FGADMP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000370619678 499236073 /nfs/dbraw/zinc/23/60/73/499236073.db2.gz DOUCQTWVCBOTAD-CZUORRHYSA-N 2 1 361.477 3.357 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000370619678 499236074 /nfs/dbraw/zinc/23/60/74/499236074.db2.gz DOUCQTWVCBOTAD-CZUORRHYSA-N 2 1 361.477 3.357 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000370763381 499252289 /nfs/dbraw/zinc/25/22/89/499252289.db2.gz KANMKXICPVYXIT-SJBKTWHCSA-N 2 1 355.526 3.019 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000370763845 499252726 /nfs/dbraw/zinc/25/27/26/499252726.db2.gz PWJXGYVJMUVZPB-CZTZKLFOSA-N 2 1 365.521 3.351 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000368165084 499270558 /nfs/dbraw/zinc/27/05/58/499270558.db2.gz ONZYVNXVNICSGM-PMACEKPBSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000368165084 499270560 /nfs/dbraw/zinc/27/05/60/499270560.db2.gz ONZYVNXVNICSGM-PMACEKPBSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3(c4ccccc4)CC3)CC2)CC1 ZINC000371085085 499287074 /nfs/dbraw/zinc/28/70/74/499287074.db2.gz ILTVJIRXZQECRN-UHFFFAOYSA-N 2 1 369.553 3.031 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301595 499307418 /nfs/dbraw/zinc/30/74/18/499307418.db2.gz GIUNLJFRXJMONS-SIKLNZKXSA-N 2 1 367.537 3.176 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371349385 499313793 /nfs/dbraw/zinc/31/37/93/499313793.db2.gz IASWBAJQXVJIRL-BEFAXECRSA-N 2 1 358.917 3.350 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371466612 499330569 /nfs/dbraw/zinc/33/05/69/499330569.db2.gz QNLOAAASYMUWET-SLFFLAALSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371466612 499330571 /nfs/dbraw/zinc/33/05/71/499330571.db2.gz QNLOAAASYMUWET-SLFFLAALSA-N 2 1 354.498 3.069 20 0 FGADMP COC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001770 499355621 /nfs/dbraw/zinc/35/56/21/499355621.db2.gz QQLLRFRACXLZNF-RTWAWAEBSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001770 499355623 /nfs/dbraw/zinc/35/56/23/499355623.db2.gz QQLLRFRACXLZNF-RTWAWAEBSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001770 499355625 /nfs/dbraw/zinc/35/56/25/499355625.db2.gz QQLLRFRACXLZNF-RTWAWAEBSA-N 2 1 358.526 3.169 20 0 FGADMP CC(C)CC(C)(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371919933 499379600 /nfs/dbraw/zinc/37/96/00/499379600.db2.gz VFXMSQYHTYVIFT-UHFFFAOYSA-N 2 1 351.579 3.371 20 0 FGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cs1 ZINC000372066043 499395061 /nfs/dbraw/zinc/39/50/61/499395061.db2.gz KVIYBZFNKJZNOW-CGTJXYLNSA-N 2 1 351.560 3.288 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000369518765 499411645 /nfs/dbraw/zinc/41/16/45/499411645.db2.gz VOEXDCIGPAFFJK-GOSISDBHSA-N 2 1 361.534 3.229 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000369547573 499415812 /nfs/dbraw/zinc/41/58/12/499415812.db2.gz GEOWNMHUESTXSW-NEWSRXKRSA-N 2 1 357.523 3.160 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000369547573 499415814 /nfs/dbraw/zinc/41/58/14/499415814.db2.gz GEOWNMHUESTXSW-NEWSRXKRSA-N 2 1 357.523 3.160 20 0 FGADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369571209 499420055 /nfs/dbraw/zinc/42/00/55/499420055.db2.gz VRCBMAQBFUGWIE-GGPKGHCWSA-N 2 1 371.550 3.030 20 0 FGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CS1 ZINC000372980727 499445627 /nfs/dbraw/zinc/44/56/27/499445627.db2.gz PGZAYHCFIFPWDZ-QUCCMNQESA-N 3 1 353.620 3.302 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558668 499476941 /nfs/dbraw/zinc/47/69/41/499476941.db2.gz CQIXLAWLRPWUNY-SMMRIJLZSA-N 2 1 374.525 3.170 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558668 499476942 /nfs/dbraw/zinc/47/69/42/499476942.db2.gz CQIXLAWLRPWUNY-SMMRIJLZSA-N 2 1 374.525 3.170 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368304 499507667 /nfs/dbraw/zinc/50/76/67/499507667.db2.gz GLPKUACTOBAUAM-HJNYFJLDSA-N 2 1 351.494 3.432 20 0 FGADMP CC[C@@H]1CC[C@@H](C)N1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378388298 499510874 /nfs/dbraw/zinc/51/08/74/499510874.db2.gz HOZXMNRBMXLRDV-IEBWSBKVSA-N 2 1 364.578 3.155 20 0 FGADMP C[N@@H+](Cc1cc(Br)cs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425038 499515658 /nfs/dbraw/zinc/51/56/58/499515658.db2.gz FUOBBBSAOIRORZ-OAHLLOKOSA-N 2 1 372.376 3.111 20 0 FGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1OC ZINC000378510726 499526027 /nfs/dbraw/zinc/52/60/27/499526027.db2.gz INNAKQAZBCWEFN-KXBFYZLASA-N 2 1 356.514 3.468 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000388269795 499550307 /nfs/dbraw/zinc/55/03/07/499550307.db2.gz MZVARIDFYBMEQY-SFHVURJKSA-N 2 1 356.441 3.224 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765015 499553270 /nfs/dbraw/zinc/55/32/70/499553270.db2.gz TWNPUERXRWYSRI-XYPWUTKMSA-N 2 1 365.905 3.234 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375765015 499553272 /nfs/dbraw/zinc/55/32/72/499553272.db2.gz TWNPUERXRWYSRI-XYPWUTKMSA-N 2 1 365.905 3.234 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765015 499553273 /nfs/dbraw/zinc/55/32/73/499553273.db2.gz TWNPUERXRWYSRI-XYPWUTKMSA-N 2 1 365.905 3.234 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960960 499565514 /nfs/dbraw/zinc/56/55/14/499565514.db2.gz DZJHZXCAJIWAQY-KJXAQDMKSA-N 2 1 368.521 3.235 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCOCC1 ZINC000376461698 499610412 /nfs/dbraw/zinc/61/04/12/499610412.db2.gz DHWOTWIKBKDGGA-UHFFFAOYSA-N 2 1 367.331 3.396 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000376687946 499629301 /nfs/dbraw/zinc/62/93/01/499629301.db2.gz NJZFXMXDIRBKTQ-YOFSQIOKSA-N 2 1 364.578 3.011 20 0 FGADMP CN1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2CCC1=O ZINC000376940841 499647931 /nfs/dbraw/zinc/64/79/31/499647931.db2.gz KTJBPQNJFVQYEZ-NFBKMPQASA-N 2 1 363.505 3.378 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)CC2 ZINC000377199009 499670190 /nfs/dbraw/zinc/67/01/90/499670190.db2.gz SGSCRZHUALCRLY-UHFFFAOYSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000377618228 499710975 /nfs/dbraw/zinc/71/09/75/499710975.db2.gz BVJPLSBWCXCYNA-KRWDZBQOSA-N 2 1 371.447 3.045 20 0 FGADMP COc1ccc(O)cc1[C@@H](C)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377641336 499714192 /nfs/dbraw/zinc/71/41/92/499714192.db2.gz DHNNVGKPRODSNQ-AEFFLSMTSA-N 2 1 355.482 3.359 20 0 FGADMP COc1ccc(O)cc1[C@@H](C)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377641336 499714194 /nfs/dbraw/zinc/71/41/94/499714194.db2.gz DHNNVGKPRODSNQ-AEFFLSMTSA-N 2 1 355.482 3.359 20 0 FGADMP CCN1CC[N@@H+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ncc[nH]1 ZINC000377699675 499722105 /nfs/dbraw/zinc/72/21/05/499722105.db2.gz QMYXQRNMQMMUCS-OXQOHEQNSA-N 2 1 364.497 3.344 20 0 FGADMP CCN1CC[N@H+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ncc[nH]1 ZINC000377699675 499722106 /nfs/dbraw/zinc/72/21/06/499722106.db2.gz QMYXQRNMQMMUCS-OXQOHEQNSA-N 2 1 364.497 3.344 20 0 FGADMP C[N@H+]1CC[C@H](CNCc2nccn2CC(F)(F)F)[C@H]1c1ccccc1 ZINC000377763730 499730296 /nfs/dbraw/zinc/73/02/96/499730296.db2.gz RYKYTVZFMRBOBK-NVXWUHKLSA-N 2 1 352.404 3.228 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401796 499735121 /nfs/dbraw/zinc/73/51/21/499735121.db2.gz RHRMNIVFGULDLB-ZLNRFVROSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401796 499735123 /nfs/dbraw/zinc/73/51/23/499735123.db2.gz RHRMNIVFGULDLB-ZLNRFVROSA-N 3 1 371.569 3.356 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccc(F)nc3)CC2)c1C ZINC000377855354 499742322 /nfs/dbraw/zinc/74/23/22/499742322.db2.gz JYSCZMNCZQGDFQ-UHFFFAOYSA-N 2 1 372.488 3.338 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccc(F)nc3)CC2)c1C ZINC000377855354 499742324 /nfs/dbraw/zinc/74/23/24/499742324.db2.gz JYSCZMNCZQGDFQ-UHFFFAOYSA-N 2 1 372.488 3.338 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000411472178 499745049 /nfs/dbraw/zinc/74/50/49/499745049.db2.gz SRKGZMRMOQTMPL-GFCCVEGCSA-N 2 1 358.313 3.245 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515483 499750324 /nfs/dbraw/zinc/75/03/24/499750324.db2.gz HYEVZSZJASJAFT-FTRWYGJKSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515483 499750325 /nfs/dbraw/zinc/75/03/25/499750325.db2.gz HYEVZSZJASJAFT-FTRWYGJKSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000378149580 499761108 /nfs/dbraw/zinc/76/11/08/499761108.db2.gz JPYRYYVEVVZTSF-IRXDYDNUSA-N 2 1 371.529 3.357 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000411654960 499773569 /nfs/dbraw/zinc/77/35/69/499773569.db2.gz ZXTAEZUQDNFCDL-LBPRGKRZSA-N 2 1 358.313 3.245 20 0 FGADMP Cc1nccnc1N1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411668202 499775224 /nfs/dbraw/zinc/77/52/24/499775224.db2.gz CUKVZBFIAHNWDC-UHFFFAOYSA-N 2 1 365.525 3.093 20 0 FGADMP C[C@H]1OCC[C@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676848 499776630 /nfs/dbraw/zinc/77/66/30/499776630.db2.gz QGVUMJDIQJEZRO-KNKQGSTJSA-N 2 1 358.526 3.441 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(CC)nc3)CC2)cs1 ZINC000414354345 499780346 /nfs/dbraw/zinc/78/03/46/499780346.db2.gz UXSRRIQUDRWJGL-UHFFFAOYSA-N 2 1 359.543 3.060 20 0 FGADMP O=C([C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)N1CCCC1 ZINC000411743573 499785496 /nfs/dbraw/zinc/78/54/96/499785496.db2.gz SJMYMCPFZJZDCV-NRFANRHFSA-N 2 1 355.526 3.117 20 0 FGADMP COC(=O)c1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000411749210 499785979 /nfs/dbraw/zinc/78/59/79/499785979.db2.gz VBYHNOABTOSMQN-RBUKOAKNSA-N 2 1 370.518 3.489 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683485 499820461 /nfs/dbraw/zinc/82/04/61/499820461.db2.gz BGUVHNFOSZTNLF-LAUBAEHRSA-N 2 1 351.494 3.174 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738556 499825085 /nfs/dbraw/zinc/82/50/85/499825085.db2.gz PHEVJMGIKZHXQZ-QWHCGFSZSA-N 2 1 358.313 3.184 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787213 499831147 /nfs/dbraw/zinc/83/11/47/499831147.db2.gz VKCPAWIMLQYNNH-NHCUHLMSSA-N 2 1 352.526 3.370 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412188286 499832164 /nfs/dbraw/zinc/83/21/64/499832164.db2.gz VZJKHUWCOBFEAZ-HXUWFJFHSA-N 2 1 357.542 3.380 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414815091 499834175 /nfs/dbraw/zinc/83/41/75/499834175.db2.gz ZXGOVNHYCUKBDU-FZMZJTMJSA-N 2 1 354.285 3.181 20 0 FGADMP COc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000414878485 499840743 /nfs/dbraw/zinc/84/07/43/499840743.db2.gz NSWGJARIQZSTJJ-UHFFFAOYSA-N 2 1 364.287 3.122 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]3)c2)cc1 ZINC000414900023 499842950 /nfs/dbraw/zinc/84/29/50/499842950.db2.gz CVMCVYAOXLGUGK-GOSISDBHSA-N 2 1 353.466 3.179 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000414905591 499843591 /nfs/dbraw/zinc/84/35/91/499843591.db2.gz LMWUBKGOPSCNNP-UHFFFAOYSA-N 2 1 367.497 3.486 20 0 FGADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000414928849 499845613 /nfs/dbraw/zinc/84/56/13/499845613.db2.gz NNOAWAPCQSNCRY-GOSISDBHSA-N 2 1 363.933 3.312 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093853 499862765 /nfs/dbraw/zinc/86/27/65/499862765.db2.gz WIJORMCGBLJDMI-OXQOHEQNSA-N 3 1 362.562 3.404 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415120574 499866280 /nfs/dbraw/zinc/86/62/80/499866280.db2.gz GLXKGQSGWBEUER-FUHWJXTLSA-N 2 1 355.482 3.086 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415120574 499866281 /nfs/dbraw/zinc/86/62/81/499866281.db2.gz GLXKGQSGWBEUER-FUHWJXTLSA-N 2 1 355.482 3.086 20 0 FGADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413139685 499918558 /nfs/dbraw/zinc/91/85/58/499918558.db2.gz FEPFOJATRQHMOI-GOSISDBHSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413139685 499918559 /nfs/dbraw/zinc/91/85/59/499918559.db2.gz FEPFOJATRQHMOI-GOSISDBHSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000415920757 499928865 /nfs/dbraw/zinc/92/88/65/499928865.db2.gz PJBLSAFJBATREH-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415930017 499929717 /nfs/dbraw/zinc/92/97/17/499929717.db2.gz ZNHYUUIHQXVVRT-JXFKEZNVSA-N 2 1 352.482 3.048 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931043 499930038 /nfs/dbraw/zinc/93/00/38/499930038.db2.gz LFPPUUXMLSATFY-JXFKEZNVSA-N 2 1 352.482 3.191 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963465 499934454 /nfs/dbraw/zinc/93/44/54/499934454.db2.gz VPQRBQZMSNKJMP-OAHLLOKOSA-N 2 1 362.493 3.105 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415973113 499935836 /nfs/dbraw/zinc/93/58/36/499935836.db2.gz NTGVLCNOJDDPFC-JXFKEZNVSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415973903 499936050 /nfs/dbraw/zinc/93/60/50/499936050.db2.gz POUGOMQLGREWRF-KRWDZBQOSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415973903 499936051 /nfs/dbraw/zinc/93/60/51/499936051.db2.gz POUGOMQLGREWRF-KRWDZBQOSA-N 2 1 352.482 3.144 20 0 FGADMP C[N@@H+](CCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CC1 ZINC000415974781 499936301 /nfs/dbraw/zinc/93/63/01/499936301.db2.gz SFVWHYYJBYSMNX-UHFFFAOYSA-N 2 1 358.408 3.160 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413284447 499937055 /nfs/dbraw/zinc/93/70/55/499937055.db2.gz BGVRTIIAVIXPBL-ZACQAIPSSA-N 2 1 361.555 3.435 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc1 ZINC000415984558 499937422 /nfs/dbraw/zinc/93/74/22/499937422.db2.gz PVXWZTDYEZAWLF-SFHVURJKSA-N 2 1 366.509 3.392 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993627 499938576 /nfs/dbraw/zinc/93/85/76/499938576.db2.gz FKPWPGCXLAMXBK-MRXNPFEDSA-N 2 1 350.466 3.028 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993627 499938578 /nfs/dbraw/zinc/93/85/78/499938578.db2.gz FKPWPGCXLAMXBK-MRXNPFEDSA-N 2 1 350.466 3.028 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417041317 499956032 /nfs/dbraw/zinc/95/60/32/499956032.db2.gz KZWXILWXSCFCMM-ICSRJNTNSA-N 2 1 360.546 3.420 20 0 FGADMP COc1ccc2ccccc2c1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000570437451 506167543 /nfs/dbraw/zinc/16/75/43/506167543.db2.gz YICUTZWLLGRTQQ-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416231250 499988255 /nfs/dbraw/zinc/98/82/55/499988255.db2.gz AZOPOPNFJHSFQI-FQEVSTJZSA-N 2 1 357.498 3.253 20 0 FGADMP C(=C\C[N@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033362 499989395 /nfs/dbraw/zinc/98/93/95/499989395.db2.gz FXGXBHVOWWNDLV-KTAFUJLCSA-N 2 1 362.558 3.040 20 0 FGADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000417219056 500009194 /nfs/dbraw/zinc/00/91/94/500009194.db2.gz LZATWNMCRSVSRC-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000429192124 500022102 /nfs/dbraw/zinc/02/21/02/500022102.db2.gz ZGOFZFFCBLERKU-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421383835 500033244 /nfs/dbraw/zinc/03/32/44/500033244.db2.gz LYOATLOPRDSEDE-NVXWUHKLSA-N 2 1 370.497 3.375 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417375291 500053047 /nfs/dbraw/zinc/05/30/47/500053047.db2.gz BVCZPQIOSGCIFD-AZUAARDMSA-N 2 1 360.542 3.197 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000417375291 500053051 /nfs/dbraw/zinc/05/30/51/500053051.db2.gz BVCZPQIOSGCIFD-AZUAARDMSA-N 2 1 360.542 3.197 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000429413346 500073626 /nfs/dbraw/zinc/07/36/26/500073626.db2.gz UHZQBKIOWNUQTA-HDICACEKSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000429519383 500091944 /nfs/dbraw/zinc/09/19/44/500091944.db2.gz VWRMRJVEMCNIRQ-UWJYYQICSA-N 2 1 351.494 3.377 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000582281715 506175528 /nfs/dbraw/zinc/17/55/28/506175528.db2.gz XXASSBDLMSRUIA-HXUWFJFHSA-N 2 1 367.497 3.042 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000582281715 506175530 /nfs/dbraw/zinc/17/55/30/506175530.db2.gz XXASSBDLMSRUIA-HXUWFJFHSA-N 2 1 367.497 3.042 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CC[C@@H](C)C2)CC1 ZINC000429564625 500104051 /nfs/dbraw/zinc/10/40/51/500104051.db2.gz FNOHXQFKGIVHNO-UTKZUKDTSA-N 2 1 357.542 3.196 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417554807 500107018 /nfs/dbraw/zinc/10/70/18/500107018.db2.gz KKPXCSLHQZFKQJ-VQTJNVASSA-N 2 1 360.546 3.420 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417584008 500117144 /nfs/dbraw/zinc/11/71/44/500117144.db2.gz LSYXQCJCUVLYRK-GOSISDBHSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417591730 500119792 /nfs/dbraw/zinc/11/97/92/500119792.db2.gz SMKVUIZVKSVFFF-WIYYLYMNSA-N 2 1 368.525 3.286 20 0 FGADMP COc1cc(Cl)ccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000421823906 500159745 /nfs/dbraw/zinc/15/97/45/500159745.db2.gz FWXMTPKKBOFPPW-OAHLLOKOSA-N 2 1 353.938 3.273 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000416968388 500169363 /nfs/dbraw/zinc/16/93/63/500169363.db2.gz IXJMBLXHOPUVJZ-RXVVDRJESA-N 2 1 374.573 3.433 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416972859 500171474 /nfs/dbraw/zinc/17/14/74/500171474.db2.gz IUPTYJOIABUACO-ICSRJNTNSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416973754 500172323 /nfs/dbraw/zinc/17/23/23/500172323.db2.gz KFXUWRRMLKDVMY-UIFIKXQLSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000416975931 500172880 /nfs/dbraw/zinc/17/28/80/500172880.db2.gz NMNOHZHDSVKNOG-DYESRHJHSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000416983579 500174904 /nfs/dbraw/zinc/17/49/04/500174904.db2.gz XITSNQNXTLJVLW-QGZVFWFLSA-N 2 1 358.530 3.002 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417843637 500182697 /nfs/dbraw/zinc/18/26/97/500182697.db2.gz QVEGVOIPQSECDR-YZGWKJHDSA-N 2 1 360.546 3.054 20 0 FGADMP CCCN(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000417852231 500184455 /nfs/dbraw/zinc/18/44/55/500184455.db2.gz GYXDICIKJAFEGA-HNAYVOBHSA-N 2 1 355.486 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])cc1 ZINC000417857282 500185242 /nfs/dbraw/zinc/18/52/42/500185242.db2.gz NUKWLFGBBFVQGJ-ZRGWGRIASA-N 2 1 355.486 3.011 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCOC[C@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000430117682 500195488 /nfs/dbraw/zinc/19/54/88/500195488.db2.gz ZKKPCEVATSCENZ-OAQYLSRUSA-N 2 1 371.569 3.466 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417978806 500208127 /nfs/dbraw/zinc/20/81/27/500208127.db2.gz DJMKGMYKGOJEGP-VUCTXSBTSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417978806 500208128 /nfs/dbraw/zinc/20/81/28/500208128.db2.gz DJMKGMYKGOJEGP-VUCTXSBTSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418105975 500230696 /nfs/dbraw/zinc/23/06/96/500230696.db2.gz MHMLHOULZMCWSR-PXNSSMCTSA-N 2 1 366.509 3.028 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427360 500239214 /nfs/dbraw/zinc/23/92/14/500239214.db2.gz PLQHUBZTBBJVFJ-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427360 500239215 /nfs/dbraw/zinc/23/92/15/500239215.db2.gz PLQHUBZTBBJVFJ-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000430579013 500257777 /nfs/dbraw/zinc/25/77/77/500257777.db2.gz ZXBBVBAMPCWNSH-UHFFFAOYSA-N 2 1 369.431 3.498 20 0 FGADMP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418425233 500274805 /nfs/dbraw/zinc/27/48/05/500274805.db2.gz JEWQVWHNYQHHAO-YZGWKJHDSA-N 2 1 360.546 3.227 20 0 FGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000422564876 500275243 /nfs/dbraw/zinc/27/52/43/500275243.db2.gz WWBYRHNLGNNDAV-UWVAXJGDSA-N 2 1 369.509 3.474 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000430730949 500276460 /nfs/dbraw/zinc/27/64/60/500276460.db2.gz UIPOPPPWYKNFQW-HRAATJIYSA-N 2 1 367.493 3.037 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636395 500283895 /nfs/dbraw/zinc/28/38/95/500283895.db2.gz NCBPXQIIBOATBI-AESZEHBQSA-N 2 1 351.922 3.165 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636395 500283897 /nfs/dbraw/zinc/28/38/97/500283897.db2.gz NCBPXQIIBOATBI-AESZEHBQSA-N 2 1 351.922 3.165 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1)CC(C)C ZINC000418518561 500286661 /nfs/dbraw/zinc/28/66/61/500286661.db2.gz MZANISZGYBHBMS-UHFFFAOYSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422711823 500288638 /nfs/dbraw/zinc/28/86/38/500288638.db2.gz NIILPALPNPJJBC-MBSDFSHPSA-N 2 1 368.521 3.430 20 0 FGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422720936 500289916 /nfs/dbraw/zinc/28/99/16/500289916.db2.gz UFZCABQTIHDNFG-YPAWHYETSA-N 2 1 359.558 3.418 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418550148 500290554 /nfs/dbraw/zinc/29/05/54/500290554.db2.gz TUSBAQNTXQMWRW-KAGYGMCKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422769891 500295797 /nfs/dbraw/zinc/29/57/97/500295797.db2.gz VLWBBAVDWAZDPX-RHSMWYFYSA-N 2 1 356.432 3.341 20 0 FGADMP COc1ccc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422768530 500296024 /nfs/dbraw/zinc/29/60/24/500296024.db2.gz TXEGWROBHRZMMK-WWNPGLIZSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccc(Br)cc1 ZINC000422800359 500299776 /nfs/dbraw/zinc/29/97/76/500299776.db2.gz ZVAXKOBUHRZQIP-VXGBXAGGSA-N 2 1 350.260 3.375 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422837103 500304493 /nfs/dbraw/zinc/30/44/93/500304493.db2.gz LJKZHGXWWKAICH-ZJBJCVSYSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422837103 500304494 /nfs/dbraw/zinc/30/44/94/500304494.db2.gz LJKZHGXWWKAICH-ZJBJCVSYSA-N 3 1 352.526 3.410 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891660 500311648 /nfs/dbraw/zinc/31/16/48/500311648.db2.gz LGIHPAHGCFCZDJ-RDTXWAMCSA-N 2 1 366.347 3.001 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422907656 500314620 /nfs/dbraw/zinc/31/46/20/500314620.db2.gz BWRHTOUQACFDGY-BHIFYINESA-N 2 1 357.542 3.172 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909979 500315459 /nfs/dbraw/zinc/31/54/59/500315459.db2.gz HCDWNEMSSHTUQA-XXBNENTESA-N 3 1 367.537 3.209 20 0 FGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909979 500315464 /nfs/dbraw/zinc/31/54/64/500315464.db2.gz HCDWNEMSSHTUQA-XXBNENTESA-N 2 1 367.537 3.209 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])CC2)cs1 ZINC000422916089 500316547 /nfs/dbraw/zinc/31/65/47/500316547.db2.gz ZXVHSWMTJRILSK-AEFFLSMTSA-N 3 1 350.576 3.025 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])CC2)cs1 ZINC000422916090 500316558 /nfs/dbraw/zinc/31/65/58/500316558.db2.gz ZXVHSWMTJRILSK-FUHWJXTLSA-N 3 1 350.576 3.025 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422931749 500319042 /nfs/dbraw/zinc/31/90/42/500319042.db2.gz CSRIWYQPZNOPST-CABZTGNLSA-N 2 1 361.799 3.009 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422967968 500324725 /nfs/dbraw/zinc/32/47/25/500324725.db2.gz PZZRZACTHCSKDD-MBSDFSHPSA-N 2 1 368.521 3.430 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000422977166 500325730 /nfs/dbraw/zinc/32/57/30/500325730.db2.gz JPUGYLOKPWKMKH-IJXRJRJASA-N 2 1 361.530 3.142 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000431060888 500330118 /nfs/dbraw/zinc/33/01/18/500330118.db2.gz HEZPZEHFQJITEI-ZCLUNYJNSA-N 2 1 351.494 3.274 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889247 500333544 /nfs/dbraw/zinc/33/35/44/500333544.db2.gz LWKCIJHLLBQGDU-JRGCBEDISA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889247 500333548 /nfs/dbraw/zinc/33/35/48/500333548.db2.gz LWKCIJHLLBQGDU-JRGCBEDISA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889247 500333550 /nfs/dbraw/zinc/33/35/50/500333550.db2.gz LWKCIJHLLBQGDU-JRGCBEDISA-N 2 1 355.526 3.125 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)[C@H]3CCCC[NH2+]3)nc12 ZINC000423038254 500333827 /nfs/dbraw/zinc/33/38/27/500333827.db2.gz ODMQMOLOUISWOD-CZUORRHYSA-N 2 1 365.319 3.068 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423063275 500337472 /nfs/dbraw/zinc/33/74/72/500337472.db2.gz ONLOFOFCJRHQDQ-NMNUPHIUSA-N 2 1 351.538 3.445 20 0 FGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423123131 500345145 /nfs/dbraw/zinc/34/51/45/500345145.db2.gz MGZFNAKGMFCPDL-BSDSXHPESA-N 2 1 356.432 3.154 20 0 FGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423123287 500345423 /nfs/dbraw/zinc/34/54/23/500345423.db2.gz MGZFNAKGMFCPDL-MLHJIOFPSA-N 2 1 356.432 3.154 20 0 FGADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423128859 500346580 /nfs/dbraw/zinc/34/65/80/500346580.db2.gz QQJVIBXTIXFKGY-IPMKNSEASA-N 2 1 361.530 3.143 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419286763 500349578 /nfs/dbraw/zinc/34/95/78/500349578.db2.gz FWPSAQBVHHNQCK-GOSISDBHSA-N 2 1 357.542 3.419 20 0 FGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423161489 500349863 /nfs/dbraw/zinc/34/98/63/500349863.db2.gz RZRRKDWKCVTXDO-MAUKXSAKSA-N 2 1 363.383 3.446 20 0 FGADMP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423169135 500350763 /nfs/dbraw/zinc/35/07/63/500350763.db2.gz ZGBLMFAGFIERFF-QILLFSRXSA-N 2 1 369.347 3.029 20 0 FGADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423187813 500353359 /nfs/dbraw/zinc/35/33/59/500353359.db2.gz MVHZZBNKPOQBAU-SFTDATJTSA-N 2 1 367.493 3.333 20 0 FGADMP Brc1cccc2c1C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423190892 500353506 /nfs/dbraw/zinc/35/35/06/500353506.db2.gz RZWYLQSGCVDOGY-QGZVFWFLSA-N 2 1 374.326 3.471 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281412 500358378 /nfs/dbraw/zinc/35/83/78/500358378.db2.gz FNMQVXGKHMAONW-QMMLZNLJSA-N 2 1 374.573 3.414 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423303536 500362576 /nfs/dbraw/zinc/36/25/76/500362576.db2.gz XFBAKSPXISZRNQ-BRWVUGGUSA-N 2 1 357.498 3.091 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000573422642 506191448 /nfs/dbraw/zinc/19/14/48/506191448.db2.gz KMGJHZWNYKETGU-ZNSVDHJPSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000573422642 506191451 /nfs/dbraw/zinc/19/14/51/506191451.db2.gz KMGJHZWNYKETGU-ZNSVDHJPSA-N 2 1 367.497 3.166 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423393720 500369628 /nfs/dbraw/zinc/36/96/28/500369628.db2.gz RFOJIAZMKJLDRL-IEBWSBKVSA-N 2 1 354.498 3.335 20 0 FGADMP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423400514 500370480 /nfs/dbraw/zinc/37/04/80/500370480.db2.gz FOSCDYSKVFWAHJ-FXAWDEMLSA-N 2 1 353.510 3.349 20 0 FGADMP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423400516 500370536 /nfs/dbraw/zinc/37/05/36/500370536.db2.gz FOSCDYSKVFWAHJ-PXNSSMCTSA-N 2 1 353.510 3.349 20 0 FGADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423621196 500390402 /nfs/dbraw/zinc/39/04/02/500390402.db2.gz XLEGTLHFAURPES-WMZOPIPTSA-N 2 1 358.530 3.081 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000579517036 506193367 /nfs/dbraw/zinc/19/33/67/506193367.db2.gz NXRBMGKBCRFZSI-UXHICEINSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000579517036 506193369 /nfs/dbraw/zinc/19/33/69/506193369.db2.gz NXRBMGKBCRFZSI-UXHICEINSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000579517036 506193371 /nfs/dbraw/zinc/19/33/71/506193371.db2.gz NXRBMGKBCRFZSI-UXHICEINSA-N 2 1 374.573 3.461 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423826031 500406374 /nfs/dbraw/zinc/40/63/74/500406374.db2.gz OBIUGWOBPQVWRP-NHCUHLMSSA-N 2 1 351.494 3.200 20 0 FGADMP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000423832474 500408143 /nfs/dbraw/zinc/40/81/43/500408143.db2.gz XWMQIHNWFGJRGT-NRFANRHFSA-N 2 1 365.521 3.185 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423898316 500417511 /nfs/dbraw/zinc/41/75/11/500417511.db2.gz IEJUKOSECBRXFA-HKBOAZHASA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423906556 500417824 /nfs/dbraw/zinc/41/78/24/500417824.db2.gz QLRJVGIIESFRLC-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1F ZINC000431743457 500418533 /nfs/dbraw/zinc/41/85/33/500418533.db2.gz WXNQLGNRVZFEKS-KRWDZBQOSA-N 2 1 358.461 3.201 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000431743457 500418535 /nfs/dbraw/zinc/41/85/35/500418535.db2.gz WXNQLGNRVZFEKS-KRWDZBQOSA-N 2 1 358.461 3.201 20 0 FGADMP CC[C@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423961101 500424859 /nfs/dbraw/zinc/42/48/59/500424859.db2.gz DLECGYWTCIKQQP-NHCUHLMSSA-N 2 1 353.510 3.493 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)[nH+]1 ZINC000431787370 500424961 /nfs/dbraw/zinc/42/49/61/500424961.db2.gz VRBKXXVZQCQIIL-FQEVSTJZSA-N 2 1 370.541 3.272 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)[nH+]1 ZINC000431787370 500424963 /nfs/dbraw/zinc/42/49/63/500424963.db2.gz VRBKXXVZQCQIIL-FQEVSTJZSA-N 2 1 370.541 3.272 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431796900 500425950 /nfs/dbraw/zinc/42/59/50/500425950.db2.gz VPCPAMDMUSYFLB-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431796900 500425951 /nfs/dbraw/zinc/42/59/51/500425951.db2.gz VPCPAMDMUSYFLB-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431796900 500425954 /nfs/dbraw/zinc/42/59/54/500425954.db2.gz VPCPAMDMUSYFLB-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@H+](C)Cc1ccccc1 ZINC000423980665 500429432 /nfs/dbraw/zinc/42/94/32/500429432.db2.gz UIDXYHRAFGYZMS-CQSZACIVSA-N 2 1 358.511 3.069 20 0 FGADMP C[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000423980665 500429433 /nfs/dbraw/zinc/42/94/33/500429433.db2.gz UIDXYHRAFGYZMS-CQSZACIVSA-N 2 1 358.511 3.069 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992370 500431416 /nfs/dbraw/zinc/43/14/16/500431416.db2.gz GCSMMQRTNUEVDN-VXKWHMMOSA-N 2 1 363.505 3.072 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccc2occc21 ZINC000431847975 500433347 /nfs/dbraw/zinc/43/33/47/500433347.db2.gz XUQPIACADACWKC-UHFFFAOYSA-N 2 1 356.514 3.460 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420293766 500434770 /nfs/dbraw/zinc/43/47/70/500434770.db2.gz AJXWBSNSGAWYCJ-REWPJTCUSA-N 2 1 368.521 3.500 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420293762 500434785 /nfs/dbraw/zinc/43/47/85/500434785.db2.gz AJXWBSNSGAWYCJ-NZQKXSOJSA-N 2 1 368.521 3.500 20 0 FGADMP Cc1ccc([C@H]2CSCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420299607 500436532 /nfs/dbraw/zinc/43/65/32/500436532.db2.gz JCHFANCMHGROAS-HBMCJLEFSA-N 2 1 356.535 3.016 20 0 FGADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420299607 500436534 /nfs/dbraw/zinc/43/65/34/500436534.db2.gz JCHFANCMHGROAS-HBMCJLEFSA-N 2 1 356.535 3.016 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297907 500436622 /nfs/dbraw/zinc/43/66/22/500436622.db2.gz GNZGOYJDCKGPST-IFMALSPDSA-N 2 1 356.510 3.257 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)[C@H](CO)C(C)C)cc1 ZINC000420297911 500436646 /nfs/dbraw/zinc/43/66/46/500436646.db2.gz GNZGOYJDCKGPST-RBBKRZOGSA-N 2 1 356.510 3.257 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420303060 500437269 /nfs/dbraw/zinc/43/72/69/500437269.db2.gz NAJMPDCQGOHLHQ-DENIHFKCSA-N 2 1 354.494 3.109 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420305632 500438622 /nfs/dbraw/zinc/43/86/22/500438622.db2.gz GTZWDHLYLTZEMR-OAHLLOKOSA-N 2 1 357.454 3.079 20 0 FGADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000420323360 500441553 /nfs/dbraw/zinc/44/15/53/500441553.db2.gz SZHLYUWJWNRODJ-AWEZNQCLSA-N 2 1 357.420 3.356 20 0 FGADMP CC(C)(C)c1cccc(OCCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329812 500442629 /nfs/dbraw/zinc/44/26/29/500442629.db2.gz PAFABPPJWQFSQE-LJQANCHMSA-N 2 1 360.542 3.440 20 0 FGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340624 500444911 /nfs/dbraw/zinc/44/49/11/500444911.db2.gz MXHYUCZGEBIBKA-NWANDNLSSA-N 2 1 360.527 3.396 20 0 FGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420366504 500448318 /nfs/dbraw/zinc/44/83/18/500448318.db2.gz RGPJISYZHYGIQR-LJQANCHMSA-N 2 1 353.510 3.245 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369395 500449277 /nfs/dbraw/zinc/44/92/77/500449277.db2.gz IVLUZHQZRYNWTD-OAQYLSRUSA-N 2 1 352.478 3.041 20 0 FGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420393726 500454781 /nfs/dbraw/zinc/45/47/81/500454781.db2.gz QUPCAYJRLSBNNW-JXFKEZNVSA-N 2 1 353.466 3.050 20 0 FGADMP C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420393726 500454784 /nfs/dbraw/zinc/45/47/84/500454784.db2.gz QUPCAYJRLSBNNW-JXFKEZNVSA-N 2 1 353.466 3.050 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116560 500456439 /nfs/dbraw/zinc/45/64/39/500456439.db2.gz XMDCLCFYOFJSSM-PXNSSMCTSA-N 2 1 357.542 3.408 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420407823 500456683 /nfs/dbraw/zinc/45/66/83/500456683.db2.gz VMXVCKRPBPGXBY-RHSMWYFYSA-N 2 1 353.304 3.292 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407853 500457021 /nfs/dbraw/zinc/45/70/21/500457021.db2.gz VOZMQQDRIQUFPM-RTWAWAEBSA-N 2 1 357.542 3.198 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407853 500457024 /nfs/dbraw/zinc/45/70/24/500457024.db2.gz VOZMQQDRIQUFPM-RTWAWAEBSA-N 2 1 357.542 3.198 20 0 FGADMP O=C(c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411103 500457444 /nfs/dbraw/zinc/45/74/44/500457444.db2.gz YEVFKWUAPSRXOX-NHCUHLMSSA-N 2 1 355.526 3.277 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411103 500457446 /nfs/dbraw/zinc/45/74/46/500457446.db2.gz YEVFKWUAPSRXOX-NHCUHLMSSA-N 2 1 355.526 3.277 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000428065478 500464457 /nfs/dbraw/zinc/46/44/57/500464457.db2.gz FNHBHPWABVPQBU-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065478 500464460 /nfs/dbraw/zinc/46/44/60/500464460.db2.gz FNHBHPWABVPQBU-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065478 500464461 /nfs/dbraw/zinc/46/44/61/500464461.db2.gz FNHBHPWABVPQBU-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270820 500478921 /nfs/dbraw/zinc/47/89/21/500478921.db2.gz OFWVCVZXBXEXFE-LLVBAIKDSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270820 500478924 /nfs/dbraw/zinc/47/89/24/500478924.db2.gz OFWVCVZXBXEXFE-LLVBAIKDSA-N 2 1 360.542 3.489 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000424275148 500479676 /nfs/dbraw/zinc/47/96/76/500479676.db2.gz ZVVCOZQLYAMTKX-BFRACDOUSA-N 2 1 371.569 3.158 20 0 FGADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000424296849 500483269 /nfs/dbraw/zinc/48/32/69/500483269.db2.gz SJBMSTRCAKDXRP-SJORKVTESA-N 2 1 361.505 3.199 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323796 500486311 /nfs/dbraw/zinc/48/63/11/500486311.db2.gz WGESRSZZBNHWIU-LJQANCHMSA-N 2 1 358.555 3.044 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424377473 500493706 /nfs/dbraw/zinc/49/37/06/500493706.db2.gz MDXVEPUWXKIHIW-ZIAGYGMSSA-N 2 1 357.292 3.216 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424416589 500500826 /nfs/dbraw/zinc/50/08/26/500500826.db2.gz KKOGBBJIROXIMY-QZTJIDSGSA-N 2 1 355.486 3.446 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000432341578 500501842 /nfs/dbraw/zinc/50/18/42/500501842.db2.gz BDSLQGOWTBHWHZ-IAGOWNOFSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000432341578 500501845 /nfs/dbraw/zinc/50/18/45/500501845.db2.gz BDSLQGOWTBHWHZ-IAGOWNOFSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000424427695 500503013 /nfs/dbraw/zinc/50/30/13/500503013.db2.gz QKHIZWHTQHSCJJ-OXQOHEQNSA-N 2 1 352.482 3.238 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420797163 500503375 /nfs/dbraw/zinc/50/33/75/500503375.db2.gz GQVDZBGHSZIZES-AFVILVPDSA-N 2 1 372.557 3.212 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425336 500514752 /nfs/dbraw/zinc/51/47/52/500514752.db2.gz MFGLZJRNZOHUKO-HNAYVOBHSA-N 2 1 361.486 3.321 20 0 FGADMP OCCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1 ZINC000420913738 500529525 /nfs/dbraw/zinc/52/95/25/500529525.db2.gz BCVMWPDBYKHTFV-JOCHJYFZSA-N 2 1 354.494 3.122 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](CCOC)c3ccccc3)CC2)CC1 ZINC000420975960 500545317 /nfs/dbraw/zinc/54/53/17/500545317.db2.gz GKAQUNCTOXHQJX-JOCHJYFZSA-N 2 1 359.558 3.256 20 0 FGADMP CC(C)(C)OC(=O)[C@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420981708 500547546 /nfs/dbraw/zinc/54/75/46/500547546.db2.gz YUKBVLJGGHXBPF-JOCHJYFZSA-N 2 1 374.525 3.073 20 0 FGADMP CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420981708 500547550 /nfs/dbraw/zinc/54/75/50/500547550.db2.gz YUKBVLJGGHXBPF-JOCHJYFZSA-N 2 1 374.525 3.073 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000437101978 500602212 /nfs/dbraw/zinc/60/22/12/500602212.db2.gz WYULHRUKAITVIS-ZYSHUDEJSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000437101978 500602214 /nfs/dbraw/zinc/60/22/14/500602214.db2.gz WYULHRUKAITVIS-ZYSHUDEJSA-N 2 1 350.478 3.376 20 0 FGADMP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC2(CCC2)C1 ZINC000433057154 500615540 /nfs/dbraw/zinc/61/55/40/500615540.db2.gz GEBXHJNSBSQFAS-PWRODBHTSA-N 2 1 354.538 3.429 20 0 FGADMP c1cc(-c2noc([C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)n2)ccc1C[NH+]1CCOCC1 ZINC000442750765 500619586 /nfs/dbraw/zinc/61/95/86/500619586.db2.gz PRHGKCBQSGMSSY-FHWLQOOXSA-N 2 1 368.481 3.162 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442864308 500636563 /nfs/dbraw/zinc/63/65/63/500636563.db2.gz CMFRJUFMZHRXRR-HNNXBMFYSA-N 2 1 373.570 3.190 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCS2 ZINC000442869584 500636896 /nfs/dbraw/zinc/63/68/96/500636896.db2.gz DSDUSVMUWLUQNM-SFHVURJKSA-N 2 1 363.571 3.238 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1(C)C ZINC000442876590 500638032 /nfs/dbraw/zinc/63/80/32/500638032.db2.gz RXZHQXUQQJVNTA-INIZCTEOSA-N 2 1 353.963 3.493 20 0 FGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000442877387 500638380 /nfs/dbraw/zinc/63/83/80/500638380.db2.gz TZYQAFOBFZNWHC-MRXNPFEDSA-N 2 1 355.473 3.355 20 0 FGADMP CCOc1c(Br)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442917262 500646594 /nfs/dbraw/zinc/64/65/94/500646594.db2.gz CVAFBBSESQBSQX-ZDUSSCGKSA-N 2 1 371.319 3.417 20 0 FGADMP CCOc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(Br)c1OC ZINC000442917139 500646837 /nfs/dbraw/zinc/64/68/37/500646837.db2.gz CGTDFISPMIFVPB-ZDUSSCGKSA-N 2 1 371.319 3.417 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(OC)c1 ZINC000442921548 500647799 /nfs/dbraw/zinc/64/77/99/500647799.db2.gz NRCXZYPPPFAFGF-LBPRGKRZSA-N 2 1 357.292 3.027 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447720150 500652344 /nfs/dbraw/zinc/65/23/44/500652344.db2.gz ATWBPQZPVYKYBF-MRXNPFEDSA-N 2 1 359.495 3.447 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000443068211 500673230 /nfs/dbraw/zinc/67/32/30/500673230.db2.gz VQIUJKSASXGMPI-NSHDSACASA-N 2 1 363.811 3.358 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000437696205 500682360 /nfs/dbraw/zinc/68/23/60/500682360.db2.gz KJGYUERYWPUVIM-HXUWFJFHSA-N 2 1 371.529 3.306 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000437701444 500683776 /nfs/dbraw/zinc/68/37/76/500683776.db2.gz FSOKTZZUBZOUGS-PXNSSMCTSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000437701444 500683779 /nfs/dbraw/zinc/68/37/79/500683779.db2.gz FSOKTZZUBZOUGS-PXNSSMCTSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000437701444 500683787 /nfs/dbraw/zinc/68/37/87/500683787.db2.gz FSOKTZZUBZOUGS-PXNSSMCTSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000437701451 500683867 /nfs/dbraw/zinc/68/38/67/500683867.db2.gz FSOKTZZUBZOUGS-YLJYHZDGSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000437701451 500683870 /nfs/dbraw/zinc/68/38/70/500683870.db2.gz FSOKTZZUBZOUGS-YLJYHZDGSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000437701451 500683872 /nfs/dbraw/zinc/68/38/72/500683872.db2.gz FSOKTZZUBZOUGS-YLJYHZDGSA-N 2 1 362.562 3.100 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447973892 500699150 /nfs/dbraw/zinc/69/91/50/500699150.db2.gz CBAHPIMEQGXQSQ-HXUWFJFHSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808955 500700056 /nfs/dbraw/zinc/70/00/56/500700056.db2.gz HEHYTTIUWVWDLN-FUHWJXTLSA-N 2 1 352.567 3.059 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1C)[NH+]1CCCC1 ZINC000437911250 500715855 /nfs/dbraw/zinc/71/58/55/500715855.db2.gz ATWNMUSZJOPHCS-LJQANCHMSA-N 2 1 363.550 3.124 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000433592035 500717722 /nfs/dbraw/zinc/71/77/22/500717722.db2.gz RLLRRMRTGFNOJS-RDAFOJIHSA-N 2 1 374.573 3.500 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608408 500720750 /nfs/dbraw/zinc/72/07/50/500720750.db2.gz KDIDVRRNSBTLKE-RTBURBONSA-N 2 1 374.529 3.041 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000438094919 500737509 /nfs/dbraw/zinc/73/75/09/500737509.db2.gz HLCCLPYFUWHYBA-OAQYLSRUSA-N 2 1 374.504 3.003 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619482 500745853 /nfs/dbraw/zinc/74/58/53/500745853.db2.gz QQMGVEFISVVENE-SJLPKXTDSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619482 500745856 /nfs/dbraw/zinc/74/58/56/500745856.db2.gz QQMGVEFISVVENE-SJLPKXTDSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619482 500745858 /nfs/dbraw/zinc/74/58/58/500745858.db2.gz QQMGVEFISVVENE-SJLPKXTDSA-N 2 1 370.459 3.273 20 0 FGADMP C[C@@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678816 500754562 /nfs/dbraw/zinc/75/45/62/500754562.db2.gz DIZWNERTNDYYSU-QUCCMNQESA-N 2 1 374.573 3.269 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433940155 500768275 /nfs/dbraw/zinc/76/82/75/500768275.db2.gz JZQDZAVSKMWICD-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccc(C)cc3C)CC2)CC1 ZINC000570737290 506216121 /nfs/dbraw/zinc/21/61/21/506216121.db2.gz MHXCXVFNXSGHGA-UHFFFAOYSA-N 2 1 371.569 3.158 20 0 FGADMP CC(C)[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438475997 500790375 /nfs/dbraw/zinc/79/03/75/500790375.db2.gz DRBACFPYSVFTQC-SFHVURJKSA-N 2 1 361.555 3.152 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000438479370 500790483 /nfs/dbraw/zinc/79/04/83/500790483.db2.gz PBCIPLJVBDNLCD-FQEVSTJZSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C(C)C)C2)CC1 ZINC000438479370 500790487 /nfs/dbraw/zinc/79/04/87/500790487.db2.gz PBCIPLJVBDNLCD-FQEVSTJZSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](C(C)C)C2)CC1 ZINC000438479370 500790490 /nfs/dbraw/zinc/79/04/90/500790490.db2.gz PBCIPLJVBDNLCD-FQEVSTJZSA-N 2 1 357.542 3.007 20 0 FGADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@H+]1CCCC[C@@H]1C ZINC000439177354 500866617 /nfs/dbraw/zinc/86/66/17/500866617.db2.gz LEYIMLYOUWIEEI-IRXDYDNUSA-N 2 1 366.575 3.084 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000434691000 500880664 /nfs/dbraw/zinc/88/06/64/500880664.db2.gz MIPMIQSJTYHMGP-JOQOYGCGSA-N 2 1 371.447 3.332 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449125121 500930672 /nfs/dbraw/zinc/93/06/72/500930672.db2.gz IIWOBCVRPUMFQH-IBGZPJMESA-N 2 1 361.917 3.030 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897719 500952608 /nfs/dbraw/zinc/95/26/08/500952608.db2.gz HQCDVLFKNLSXKD-QAPCUYQASA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897719 500952609 /nfs/dbraw/zinc/95/26/09/500952609.db2.gz HQCDVLFKNLSXKD-QAPCUYQASA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000439897719 500952613 /nfs/dbraw/zinc/95/26/13/500952613.db2.gz HQCDVLFKNLSXKD-QAPCUYQASA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000439897719 500952614 /nfs/dbraw/zinc/95/26/14/500952614.db2.gz HQCDVLFKNLSXKD-QAPCUYQASA-N 2 1 361.555 3.018 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378959 500963665 /nfs/dbraw/zinc/96/36/65/500963665.db2.gz KTGBLEXNEQOJGO-VQIMIIECSA-N 2 1 355.482 3.228 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000435380238 500963998 /nfs/dbraw/zinc/96/39/98/500963998.db2.gz QFYTXNDEBADGJJ-FFZOFVMBSA-N 2 1 368.525 3.483 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435384173 500964470 /nfs/dbraw/zinc/96/44/70/500964470.db2.gz KWXSYGJXKQFCJF-IBGZPJMESA-N 2 1 361.493 3.035 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435384173 500964473 /nfs/dbraw/zinc/96/44/73/500964473.db2.gz KWXSYGJXKQFCJF-IBGZPJMESA-N 2 1 361.493 3.035 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000435398676 500968162 /nfs/dbraw/zinc/96/81/62/500968162.db2.gz QLKNUTFQZXVVLF-IBGZPJMESA-N 2 1 355.482 3.101 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000435398676 500968164 /nfs/dbraw/zinc/96/81/64/500968164.db2.gz QLKNUTFQZXVVLF-IBGZPJMESA-N 2 1 355.482 3.101 20 0 FGADMP COC(=O)c1coc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435429513 500973908 /nfs/dbraw/zinc/97/39/08/500973908.db2.gz XIDZNUPJXXXGHV-KRWDZBQOSA-N 2 1 360.479 3.272 20 0 FGADMP COC(=O)c1coc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435429513 500973910 /nfs/dbraw/zinc/97/39/10/500973910.db2.gz XIDZNUPJXXXGHV-KRWDZBQOSA-N 2 1 360.479 3.272 20 0 FGADMP Cc1cccc(CC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000449323816 500977365 /nfs/dbraw/zinc/97/73/65/500977365.db2.gz AZEJZQRQZFWYFR-WOJBJXKFSA-N 2 1 360.542 3.128 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1cccc(F)c1 ZINC000449358704 500986346 /nfs/dbraw/zinc/98/63/46/500986346.db2.gz FZFMBHLJEGMANJ-XXTHSBEZSA-N 2 1 368.496 3.229 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC[N@H+]2CCCO)CC1 ZINC000449387943 500991433 /nfs/dbraw/zinc/99/14/33/500991433.db2.gz NPLBMMGLBSBECR-IBGZPJMESA-N 2 1 353.595 3.102 20 0 FGADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449413768 500998522 /nfs/dbraw/zinc/99/85/22/500998522.db2.gz IGFBCSSXYIOPNZ-CABCVRRESA-N 2 1 365.543 3.121 20 0 FGADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449413768 500998525 /nfs/dbraw/zinc/99/85/25/500998525.db2.gz IGFBCSSXYIOPNZ-CABCVRRESA-N 2 1 365.543 3.121 20 0 FGADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCC1 ZINC000435698533 501013879 /nfs/dbraw/zinc/01/38/79/501013879.db2.gz WXNQFRHLGNFYLO-GOSISDBHSA-N 2 1 361.555 3.141 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](OCC)[C@@H](C)C2)CC1 ZINC000449491490 501015583 /nfs/dbraw/zinc/01/55/83/501015583.db2.gz HCCWTKQUPVYVAK-SIKLNZKXSA-N 2 1 359.558 3.466 20 0 FGADMP FCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000449488440 501015861 /nfs/dbraw/zinc/01/58/61/501015861.db2.gz HDWWQDLOLQJSLP-UHFFFAOYSA-N 2 1 352.469 3.189 20 0 FGADMP CC[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494508 501017975 /nfs/dbraw/zinc/01/79/75/501017975.db2.gz GQSXTIPQZBXYST-FCHUYYIVSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494508 501017978 /nfs/dbraw/zinc/01/79/78/501017978.db2.gz GQSXTIPQZBXYST-FCHUYYIVSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494508 501017982 /nfs/dbraw/zinc/01/79/82/501017982.db2.gz GQSXTIPQZBXYST-FCHUYYIVSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494508 501017986 /nfs/dbraw/zinc/01/79/86/501017986.db2.gz GQSXTIPQZBXYST-FCHUYYIVSA-N 2 1 371.569 3.446 20 0 FGADMP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1)C1CC1 ZINC000449501464 501019118 /nfs/dbraw/zinc/01/91/18/501019118.db2.gz FNACVFZFPKGJGO-VJFDXUIRSA-N 2 1 354.538 3.284 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505783 501020670 /nfs/dbraw/zinc/02/06/70/501020670.db2.gz RULUJRXUYSGJIJ-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505783 501020671 /nfs/dbraw/zinc/02/06/71/501020671.db2.gz RULUJRXUYSGJIJ-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505783 501020672 /nfs/dbraw/zinc/02/06/72/501020672.db2.gz RULUJRXUYSGJIJ-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505783 501020674 /nfs/dbraw/zinc/02/06/74/501020674.db2.gz RULUJRXUYSGJIJ-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000445972478 501056614 /nfs/dbraw/zinc/05/66/14/501056614.db2.gz WMFOHYOAOJUQHA-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441245638 501108646 /nfs/dbraw/zinc/10/86/46/501108646.db2.gz NFYKZYXOMSOPMJ-DZFGPLHGSA-N 2 1 362.514 3.038 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441245638 501108648 /nfs/dbraw/zinc/10/86/48/501108648.db2.gz NFYKZYXOMSOPMJ-DZFGPLHGSA-N 2 1 362.514 3.038 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC/C=C/c3ccccc3)CC2)CC1 ZINC000450391088 501109633 /nfs/dbraw/zinc/10/96/33/501109633.db2.gz LRCUVLDCYPKHRQ-UXBLZVDNSA-N 2 1 369.553 3.356 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356278 501125938 /nfs/dbraw/zinc/12/59/38/501125938.db2.gz LOJBQAXDQSXBMK-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356278 501125942 /nfs/dbraw/zinc/12/59/42/501125942.db2.gz LOJBQAXDQSXBMK-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356278 501125947 /nfs/dbraw/zinc/12/59/47/501125947.db2.gz LOJBQAXDQSXBMK-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356278 501125952 /nfs/dbraw/zinc/12/59/52/501125952.db2.gz LOJBQAXDQSXBMK-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cn1 ZINC000582462507 506235656 /nfs/dbraw/zinc/23/56/56/506235656.db2.gz QUUPAKARQBIAQQ-AYHJJNSGSA-N 2 1 352.482 3.257 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000582462507 506235662 /nfs/dbraw/zinc/23/56/62/506235662.db2.gz QUUPAKARQBIAQQ-AYHJJNSGSA-N 2 1 352.482 3.257 20 0 FGADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643788 501173647 /nfs/dbraw/zinc/17/36/47/501173647.db2.gz RIEAGCIHMNBUIR-JOCHJYFZSA-N 2 1 353.510 3.488 20 0 FGADMP CCC1([NH2+]CC(=O)N2CCC[N@H+](Cc3ccc(OC)cc3)CC2)CCCC1 ZINC000451280320 501257137 /nfs/dbraw/zinc/25/71/37/501257137.db2.gz ZVIBASZSDQAQKZ-UHFFFAOYSA-N 2 1 373.541 3.042 20 0 FGADMP CCC1([NH2+]CC(=O)N2CCC[N@@H+](Cc3ccc(OC)cc3)CC2)CCCC1 ZINC000451280320 501257138 /nfs/dbraw/zinc/25/71/38/501257138.db2.gz ZVIBASZSDQAQKZ-UHFFFAOYSA-N 2 1 373.541 3.042 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453116353 501272276 /nfs/dbraw/zinc/27/22/76/501272276.db2.gz WBDJJSSZHAZDFB-ROUUACIJSA-N 2 1 368.525 3.239 20 0 FGADMP COC1([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000453123483 501274195 /nfs/dbraw/zinc/27/41/95/501274195.db2.gz YQEUCFFTPNFJCB-LBFURVHYSA-N 2 1 358.526 3.356 20 0 FGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453126528 501274579 /nfs/dbraw/zinc/27/45/79/501274579.db2.gz SQARMHWETBJXHQ-VSKRKVRLSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453126528 501274582 /nfs/dbraw/zinc/27/45/82/501274582.db2.gz SQARMHWETBJXHQ-VSKRKVRLSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453126528 501274585 /nfs/dbraw/zinc/27/45/85/501274585.db2.gz SQARMHWETBJXHQ-VSKRKVRLSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457648921 501277114 /nfs/dbraw/zinc/27/71/14/501277114.db2.gz LFMYCGZZDNJNAA-KRWDZBQOSA-N 2 1 360.546 3.200 20 0 FGADMP CC[C@H](CC(F)F)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457670606 501283151 /nfs/dbraw/zinc/28/31/51/501283151.db2.gz NMORBYAUCRIERJ-KBAYOESNSA-N 2 1 373.532 3.463 20 0 FGADMP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530684 501314398 /nfs/dbraw/zinc/31/43/98/501314398.db2.gz IMMYWCSLOXIOED-RBBKRZOGSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530684 501314400 /nfs/dbraw/zinc/31/44/00/501314400.db2.gz IMMYWCSLOXIOED-RBBKRZOGSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530684 501314403 /nfs/dbraw/zinc/31/44/03/501314403.db2.gz IMMYWCSLOXIOED-RBBKRZOGSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530684 501314404 /nfs/dbraw/zinc/31/44/04/501314404.db2.gz IMMYWCSLOXIOED-RBBKRZOGSA-N 2 1 357.542 3.404 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000457977006 501348785 /nfs/dbraw/zinc/34/87/85/501348785.db2.gz QCOSZSYWEHSAGV-UHFFFAOYSA-N 2 1 350.466 3.496 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519907 501464598 /nfs/dbraw/zinc/46/45/98/501464598.db2.gz WLBGTSFPDZBWPX-ICSRJNTNSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000458785445 501531285 /nfs/dbraw/zinc/53/12/85/501531285.db2.gz WMROUIWHIMNIFE-NSHGMRRFSA-N 2 1 360.546 3.017 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149638 501603825 /nfs/dbraw/zinc/60/38/25/501603825.db2.gz GLZQJPAPDQEACW-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000459149638 501603829 /nfs/dbraw/zinc/60/38/29/501603829.db2.gz GLZQJPAPDQEACW-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000459149638 501603830 /nfs/dbraw/zinc/60/38/30/501603830.db2.gz GLZQJPAPDQEACW-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000459262284 501620808 /nfs/dbraw/zinc/62/08/08/501620808.db2.gz LNSDQXVBZSJVJA-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357333 501638335 /nfs/dbraw/zinc/63/83/35/501638335.db2.gz CUJBKQICJHYNAI-UXHICEINSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357333 501638336 /nfs/dbraw/zinc/63/83/36/501638336.db2.gz CUJBKQICJHYNAI-UXHICEINSA-N 2 1 357.542 3.220 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1SC ZINC000459394767 501646028 /nfs/dbraw/zinc/64/60/28/501646028.db2.gz YBIXUHBNKBMIAZ-SPUZQDLCSA-N 2 1 354.585 3.459 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1SC ZINC000459394767 501646031 /nfs/dbraw/zinc/64/60/31/501646031.db2.gz YBIXUHBNKBMIAZ-SPUZQDLCSA-N 2 1 354.585 3.459 20 0 FGADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000459434027 501653057 /nfs/dbraw/zinc/65/30/57/501653057.db2.gz CIGKFBQDJJTXQN-AWEZNQCLSA-N 2 1 356.432 3.073 20 0 FGADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000459436908 501654141 /nfs/dbraw/zinc/65/41/41/501654141.db2.gz FZNACJXRVZOKRQ-HNNXBMFYSA-N 2 1 356.432 3.073 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000457435895 501697699 /nfs/dbraw/zinc/69/76/99/501697699.db2.gz GJMQPOVWPTZYPP-HZPDHXFCSA-N 2 1 359.474 3.083 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460107358 501727329 /nfs/dbraw/zinc/72/73/29/501727329.db2.gz IKJZPPMTXQEDCY-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460107358 501727334 /nfs/dbraw/zinc/72/73/34/501727334.db2.gz IKJZPPMTXQEDCY-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460107358 501727338 /nfs/dbraw/zinc/72/73/38/501727338.db2.gz IKJZPPMTXQEDCY-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)ccc1I ZINC000467373201 501780319 /nfs/dbraw/zinc/78/03/19/501780319.db2.gz KDMSIPYXOUPOIX-IUODEOHRSA-N 2 1 358.267 3.029 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1I ZINC000467373399 501780605 /nfs/dbraw/zinc/78/06/05/501780605.db2.gz LZSSPLBAFMUEJW-XJKCOSOUSA-N 2 1 372.294 3.418 20 0 FGADMP CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470748692 501790912 /nfs/dbraw/zinc/79/09/12/501790912.db2.gz YRSMOYWBEZKLBD-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000460400620 501816126 /nfs/dbraw/zinc/81/61/26/501816126.db2.gz LIZFGNZKULEANY-ZNLUXHQJSA-N 2 1 351.494 3.099 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1c1ccccc1 ZINC000460400620 501816134 /nfs/dbraw/zinc/81/61/34/501816134.db2.gz LIZFGNZKULEANY-ZNLUXHQJSA-N 2 1 351.494 3.099 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694943 501846780 /nfs/dbraw/zinc/84/67/80/501846780.db2.gz COMBQNMHSWCVNK-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694943 501846787 /nfs/dbraw/zinc/84/67/87/501846787.db2.gz COMBQNMHSWCVNK-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694943 501846793 /nfs/dbraw/zinc/84/67/93/501846793.db2.gz COMBQNMHSWCVNK-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694943 501846797 /nfs/dbraw/zinc/84/67/97/501846797.db2.gz COMBQNMHSWCVNK-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCCCCn1cc[nH+]c1C ZINC000460532566 501851936 /nfs/dbraw/zinc/85/19/36/501851936.db2.gz JWEAFTOACZQGJH-UHFFFAOYSA-N 2 1 363.550 3.269 20 0 FGADMP C([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000464078603 501892459 /nfs/dbraw/zinc/89/24/59/501892459.db2.gz RMJWYJJDNDTDBU-VAMGGRTRSA-N 2 1 350.547 3.206 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464092329 501897506 /nfs/dbraw/zinc/89/75/06/501897506.db2.gz BAXOIDYZWHLCPK-PMACEKPBSA-N 2 1 357.542 3.101 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474700695 501926323 /nfs/dbraw/zinc/92/63/23/501926323.db2.gz IDYRZESVSDTVIW-HXUWFJFHSA-N 2 1 363.521 3.418 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474700695 501926329 /nfs/dbraw/zinc/92/63/29/501926329.db2.gz IDYRZESVSDTVIW-HXUWFJFHSA-N 2 1 363.521 3.418 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000481952353 501926983 /nfs/dbraw/zinc/92/69/83/501926983.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952353 501926988 /nfs/dbraw/zinc/92/69/88/501926988.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952353 501926993 /nfs/dbraw/zinc/92/69/93/501926993.db2.gz ULHJETRTXULICO-ILWGZMRPSA-N 2 1 361.574 3.324 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000468029100 501934472 /nfs/dbraw/zinc/93/44/72/501934472.db2.gz JVRHHFVPIVIDJM-XLIONFOSSA-N 2 1 371.529 3.256 20 0 FGADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468028999 501934692 /nfs/dbraw/zinc/93/46/92/501934692.db2.gz XNVFQUGJZBUYEU-MISYRCLQSA-N 2 1 360.546 3.145 20 0 FGADMP C[NH+]1CCC(CC(=O)N[C@@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000485789764 501938651 /nfs/dbraw/zinc/93/86/51/501938651.db2.gz HJYPUJFHUPJDML-NRFANRHFSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048128 501940553 /nfs/dbraw/zinc/94/05/53/501940553.db2.gz DYGIRSFIZLIXTO-UYAOXDASSA-N 2 1 372.557 3.338 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087211 501971036 /nfs/dbraw/zinc/97/10/36/501971036.db2.gz GYKGOAWKNQBMRX-QAPCUYQASA-N 2 1 353.576 3.283 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478416634 501975219 /nfs/dbraw/zinc/97/52/19/501975219.db2.gz OZNSOUOZSBZRJG-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478416634 501975225 /nfs/dbraw/zinc/97/52/25/501975225.db2.gz OZNSOUOZSBZRJG-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999308 502017608 /nfs/dbraw/zinc/01/76/08/502017608.db2.gz YWVDMLVXWBXLDC-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999308 502017611 /nfs/dbraw/zinc/01/76/11/502017611.db2.gz YWVDMLVXWBXLDC-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474999308 502017614 /nfs/dbraw/zinc/01/76/14/502017614.db2.gz YWVDMLVXWBXLDC-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474999308 502017616 /nfs/dbraw/zinc/01/76/16/502017616.db2.gz YWVDMLVXWBXLDC-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999309 502017834 /nfs/dbraw/zinc/01/78/34/502017834.db2.gz YWVDMLVXWBXLDC-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999309 502017839 /nfs/dbraw/zinc/01/78/39/502017839.db2.gz YWVDMLVXWBXLDC-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474999309 502017845 /nfs/dbraw/zinc/01/78/45/502017845.db2.gz YWVDMLVXWBXLDC-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474999309 502017850 /nfs/dbraw/zinc/01/78/50/502017850.db2.gz YWVDMLVXWBXLDC-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468300411 502019046 /nfs/dbraw/zinc/01/90/46/502019046.db2.gz LAMKAJHPWBGMPF-QFIPXVFZSA-N 2 1 363.505 3.173 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000468300411 502019052 /nfs/dbraw/zinc/01/90/52/502019052.db2.gz LAMKAJHPWBGMPF-QFIPXVFZSA-N 2 1 363.505 3.173 20 0 FGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475018420 502022591 /nfs/dbraw/zinc/02/25/91/502022591.db2.gz UWNQRBIHSNGEHP-COPCDDAFSA-N 2 1 365.521 3.284 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464643971 502052680 /nfs/dbraw/zinc/05/26/80/502052680.db2.gz QCSYKHFQDSQGFS-QAPCUYQASA-N 2 1 351.922 3.133 20 0 FGADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269411 502057687 /nfs/dbraw/zinc/05/76/87/502057687.db2.gz XCIVBYKKDXHOPT-MSOLQXFVSA-N 2 1 351.922 3.276 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269411 502057691 /nfs/dbraw/zinc/05/76/91/502057691.db2.gz XCIVBYKKDXHOPT-MSOLQXFVSA-N 2 1 351.922 3.276 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468570 502077313 /nfs/dbraw/zinc/07/73/13/502077313.db2.gz LOCLMEDUBSEAIO-FCHUYYIVSA-N 2 1 365.521 3.316 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468570 502077318 /nfs/dbraw/zinc/07/73/18/502077318.db2.gz LOCLMEDUBSEAIO-FCHUYYIVSA-N 2 1 365.521 3.316 20 0 FGADMP CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475163169 502087845 /nfs/dbraw/zinc/08/78/45/502087845.db2.gz FWVDKWUCRSLSSJ-AZUAARDMSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615278 502089200 /nfs/dbraw/zinc/08/92/00/502089200.db2.gz QRMNGGYALXWZIX-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000471615278 502089208 /nfs/dbraw/zinc/08/92/08/502089208.db2.gz QRMNGGYALXWZIX-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000471615278 502089213 /nfs/dbraw/zinc/08/92/13/502089213.db2.gz QRMNGGYALXWZIX-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000468552032 502102461 /nfs/dbraw/zinc/10/24/61/502102461.db2.gz FTPCFBAXYSYNOW-CVDCTZTESA-N 2 1 368.521 3.243 20 0 FGADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000468552032 502102464 /nfs/dbraw/zinc/10/24/64/502102464.db2.gz FTPCFBAXYSYNOW-CVDCTZTESA-N 2 1 368.521 3.243 20 0 FGADMP COc1cc2c(cc1CNC[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000475285083 502118437 /nfs/dbraw/zinc/11/84/37/502118437.db2.gz ZVKVOXMLFQOLEP-KRWDZBQOSA-N 2 1 354.450 3.036 20 0 FGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000475285083 502118440 /nfs/dbraw/zinc/11/84/40/502118440.db2.gz ZVKVOXMLFQOLEP-KRWDZBQOSA-N 2 1 354.450 3.036 20 0 FGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000475285083 502118443 /nfs/dbraw/zinc/11/84/43/502118443.db2.gz ZVKVOXMLFQOLEP-KRWDZBQOSA-N 2 1 354.450 3.036 20 0 FGADMP COC(=O)c1coc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000602772825 506294560 /nfs/dbraw/zinc/29/45/60/506294560.db2.gz KXVRRWZSJLMTEB-MRXNPFEDSA-N 2 1 371.481 3.366 20 0 FGADMP COC(=O)c1coc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000602772825 506294568 /nfs/dbraw/zinc/29/45/68/506294568.db2.gz KXVRRWZSJLMTEB-MRXNPFEDSA-N 2 1 371.481 3.366 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833946 502149175 /nfs/dbraw/zinc/14/91/75/502149175.db2.gz DCPIPHHAXPWTIM-FCHUYYIVSA-N 2 1 365.521 3.218 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000475628625 502234313 /nfs/dbraw/zinc/23/43/13/502234313.db2.gz WWEJJFHCAZUNKY-UHFFFAOYSA-N 2 1 351.372 3.431 20 0 FGADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000479367311 502236502 /nfs/dbraw/zinc/23/65/02/502236502.db2.gz ZACRZFZRXPMYHZ-WMLDXEAASA-N 2 1 367.331 3.218 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000475639802 502239413 /nfs/dbraw/zinc/23/94/13/502239413.db2.gz QBULWJRSEAMZPW-UHFFFAOYSA-N 2 1 353.388 3.421 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000472143847 502247034 /nfs/dbraw/zinc/24/70/34/502247034.db2.gz ILSXXHLRHHBBLI-KRWDZBQOSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472195876 502265540 /nfs/dbraw/zinc/26/55/40/502265540.db2.gz VWJPWFLBMIUZNX-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000483084518 502266455 /nfs/dbraw/zinc/26/64/55/502266455.db2.gz DXIHHYXMQNQJGF-SFHVURJKSA-N 2 1 364.578 3.347 20 0 FGADMP C[C@@H]1C[C@@H](C)[C@H](C)[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725138 502266839 /nfs/dbraw/zinc/26/68/39/502266839.db2.gz XYMSWCQLKGLSGI-QRVBRYPASA-N 2 1 357.542 3.265 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462003254 502268914 /nfs/dbraw/zinc/26/89/14/502268914.db2.gz NXSNHASTBNBNCU-UXHICEINSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462004224 502270328 /nfs/dbraw/zinc/27/03/28/502270328.db2.gz QBAVOTFOAOOQEH-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462004224 502270333 /nfs/dbraw/zinc/27/03/33/502270333.db2.gz QBAVOTFOAOOQEH-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462004224 502270335 /nfs/dbraw/zinc/27/03/35/502270335.db2.gz QBAVOTFOAOOQEH-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@H]1c1ccccc1 ZINC000472236801 502280350 /nfs/dbraw/zinc/28/03/50/502280350.db2.gz CBQSQZADOYCYNR-WIYYLYMNSA-N 2 1 357.542 3.103 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267295 502290629 /nfs/dbraw/zinc/29/06/29/502290629.db2.gz DVLJDWBDSLQVBC-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267295 502290633 /nfs/dbraw/zinc/29/06/33/502290633.db2.gz DVLJDWBDSLQVBC-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000465545162 502300937 /nfs/dbraw/zinc/30/09/37/502300937.db2.gz BMIPOEZOIPBTCY-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000465545162 502300939 /nfs/dbraw/zinc/30/09/39/502300939.db2.gz BMIPOEZOIPBTCY-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000465545162 502300943 /nfs/dbraw/zinc/30/09/43/502300943.db2.gz BMIPOEZOIPBTCY-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000462102433 502307398 /nfs/dbraw/zinc/30/73/98/502307398.db2.gz BMTRIXDIGQPBGP-GOSISDBHSA-N 2 1 355.448 3.354 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312679 502311152 /nfs/dbraw/zinc/31/11/52/502311152.db2.gz JUFTWIQVDVZEBD-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312679 502311154 /nfs/dbraw/zinc/31/11/54/502311154.db2.gz JUFTWIQVDVZEBD-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312679 502311156 /nfs/dbraw/zinc/31/11/56/502311156.db2.gz JUFTWIQVDVZEBD-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462116928 502312840 /nfs/dbraw/zinc/31/28/40/502312840.db2.gz AABDNYRVTOVMBX-UHFFFAOYSA-N 2 1 353.514 3.297 20 0 FGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000479701060 502349725 /nfs/dbraw/zinc/34/97/25/502349725.db2.gz ONMFXZPBYZUQQJ-UHFFFAOYSA-N 2 1 357.542 3.393 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCc3ccncc3)CC2)CC1 ZINC000462316377 502390569 /nfs/dbraw/zinc/39/05/69/502390569.db2.gz APLSCGZMHFITKQ-UHFFFAOYSA-N 2 1 358.574 3.142 20 0 FGADMP C[N@H+](CCCc1ccncc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462316377 502390575 /nfs/dbraw/zinc/39/05/75/502390575.db2.gz APLSCGZMHFITKQ-UHFFFAOYSA-N 3 1 358.574 3.142 20 0 FGADMP C[N@@H+](CCCc1ccncc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000462316377 502390581 /nfs/dbraw/zinc/39/05/81/502390581.db2.gz APLSCGZMHFITKQ-UHFFFAOYSA-N 3 1 358.574 3.142 20 0 FGADMP CCCCCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484886 502405840 /nfs/dbraw/zinc/40/58/40/502405840.db2.gz QVJXCCZOWMGQGD-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000465861479 502406042 /nfs/dbraw/zinc/40/60/42/502406042.db2.gz DLWUKLLFEUWHNQ-AQNXPRMDSA-N 2 1 364.578 3.298 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000465861479 502406045 /nfs/dbraw/zinc/40/60/45/502406045.db2.gz DLWUKLLFEUWHNQ-AQNXPRMDSA-N 2 1 364.578 3.298 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000465861479 502406047 /nfs/dbraw/zinc/40/60/47/502406047.db2.gz DLWUKLLFEUWHNQ-AQNXPRMDSA-N 2 1 364.578 3.298 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1C ZINC000483494477 502410772 /nfs/dbraw/zinc/41/07/72/502410772.db2.gz ADIPZMYLHQZARA-JBACZVJFSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000483507138 502414862 /nfs/dbraw/zinc/41/48/62/502414862.db2.gz HWDCLKSUKSFUSL-UWJYYQICSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000483507138 502414866 /nfs/dbraw/zinc/41/48/66/502414866.db2.gz HWDCLKSUKSFUSL-UWJYYQICSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890954 502416828 /nfs/dbraw/zinc/41/68/28/502416828.db2.gz KPUPGCBDAUYLKO-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000465890954 502416833 /nfs/dbraw/zinc/41/68/33/502416833.db2.gz KPUPGCBDAUYLKO-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465890954 502416837 /nfs/dbraw/zinc/41/68/37/502416837.db2.gz KPUPGCBDAUYLKO-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000483546225 502427798 /nfs/dbraw/zinc/42/77/98/502427798.db2.gz CCRMSJVREGVPLY-FPOVZHCZSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000483546225 502427800 /nfs/dbraw/zinc/42/78/00/502427800.db2.gz CCRMSJVREGVPLY-FPOVZHCZSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000483546225 502427802 /nfs/dbraw/zinc/42/78/02/502427802.db2.gz CCRMSJVREGVPLY-FPOVZHCZSA-N 2 1 355.526 3.227 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561598 502432104 /nfs/dbraw/zinc/43/21/04/502432104.db2.gz NQSRSPWYICVXMQ-BHDDXSALSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561598 502432108 /nfs/dbraw/zinc/43/21/08/502432108.db2.gz NQSRSPWYICVXMQ-BHDDXSALSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561598 502432112 /nfs/dbraw/zinc/43/21/12/502432112.db2.gz NQSRSPWYICVXMQ-BHDDXSALSA-N 2 1 369.553 3.374 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465953260 502438670 /nfs/dbraw/zinc/43/86/70/502438670.db2.gz LVCDXBFMKOSEAY-HXUWFJFHSA-N 2 1 364.578 3.206 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000469497963 502441603 /nfs/dbraw/zinc/44/16/03/502441603.db2.gz QHLPMNUXZUSVSN-FQEVSTJZSA-N 2 1 373.928 3.363 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483684656 502462995 /nfs/dbraw/zinc/46/29/95/502462995.db2.gz NTPNPGLJYBWDCE-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483684656 502462997 /nfs/dbraw/zinc/46/29/97/502462997.db2.gz NTPNPGLJYBWDCE-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483684656 502462998 /nfs/dbraw/zinc/46/29/98/502462998.db2.gz NTPNPGLJYBWDCE-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000483700261 502467263 /nfs/dbraw/zinc/46/72/63/502467263.db2.gz JZNDNSFNMDABHP-PKOBYXMFSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000483700261 502467266 /nfs/dbraw/zinc/46/72/66/502467266.db2.gz JZNDNSFNMDABHP-PKOBYXMFSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000483700261 502467274 /nfs/dbraw/zinc/46/72/74/502467274.db2.gz JZNDNSFNMDABHP-PKOBYXMFSA-N 2 1 352.567 3.155 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1 ZINC000469585906 502472263 /nfs/dbraw/zinc/47/22/63/502472263.db2.gz XQGNIXXEGYIOEQ-UHFFFAOYSA-N 2 1 354.498 3.464 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1 ZINC000469585906 502472267 /nfs/dbraw/zinc/47/22/67/502472267.db2.gz XQGNIXXEGYIOEQ-UHFFFAOYSA-N 2 1 354.498 3.464 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000480099323 502472538 /nfs/dbraw/zinc/47/25/38/502472538.db2.gz XVRFGWWGNNMKFA-UHFFFAOYSA-N 2 1 352.413 3.413 20 0 FGADMP C[C@@H](CCNC(=O)NCCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472933868 502475627 /nfs/dbraw/zinc/47/56/27/502475627.db2.gz WXRCRCYUQZLWEH-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000483795822 502495291 /nfs/dbraw/zinc/49/52/91/502495291.db2.gz BMKWXYQISHFTDE-CEXWTWQISA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000483795822 502495294 /nfs/dbraw/zinc/49/52/94/502495294.db2.gz BMKWXYQISHFTDE-CEXWTWQISA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000483795822 502495295 /nfs/dbraw/zinc/49/52/95/502495295.db2.gz BMKWXYQISHFTDE-CEXWTWQISA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000483806060 502497724 /nfs/dbraw/zinc/49/77/24/502497724.db2.gz JQMPGYTZSRTRLI-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000469851547 502567651 /nfs/dbraw/zinc/56/76/51/502567651.db2.gz YWERBRJLUVIZLP-JSGCOSHPSA-N 2 1 363.303 3.112 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469860168 502571711 /nfs/dbraw/zinc/57/17/11/502571711.db2.gz DPYQLVXQVFJJLZ-APWZRJJASA-N 2 1 369.509 3.075 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132545 502578034 /nfs/dbraw/zinc/57/80/34/502578034.db2.gz OVOVURJDYQMJCX-DVXIDMMASA-N 2 1 354.538 3.284 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132545 502578038 /nfs/dbraw/zinc/57/80/38/502578038.db2.gz OVOVURJDYQMJCX-DVXIDMMASA-N 2 1 354.538 3.284 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000462812470 502584287 /nfs/dbraw/zinc/58/42/87/502584287.db2.gz NYQZWCGAEGIASI-QMMLZNLJSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812470 502584293 /nfs/dbraw/zinc/58/42/93/502584293.db2.gz NYQZWCGAEGIASI-QMMLZNLJSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000462812470 502584294 /nfs/dbraw/zinc/58/42/94/502584294.db2.gz NYQZWCGAEGIASI-QMMLZNLJSA-N 2 1 355.526 3.030 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000469980150 502616892 /nfs/dbraw/zinc/61/68/92/502616892.db2.gz BEMMNICTZMTFLS-YYKUARIBSA-N 2 1 364.505 3.196 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000480601479 502617250 /nfs/dbraw/zinc/61/72/50/502617250.db2.gz AHOYPXWUOMNVDH-CGXNFDGLSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000480601479 502617256 /nfs/dbraw/zinc/61/72/56/502617256.db2.gz AHOYPXWUOMNVDH-CGXNFDGLSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000480601479 502617262 /nfs/dbraw/zinc/61/72/62/502617262.db2.gz AHOYPXWUOMNVDH-CGXNFDGLSA-N 3 1 353.595 3.081 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H]([N@H+](C)C[C@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098207 502626008 /nfs/dbraw/zinc/62/60/08/502626008.db2.gz BSVRCDTZUGYBCD-LUYSREMJSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+](C)C[C@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098207 502626013 /nfs/dbraw/zinc/62/60/13/502626013.db2.gz BSVRCDTZUGYBCD-LUYSREMJSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C[C@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098207 502626019 /nfs/dbraw/zinc/62/60/19/502626019.db2.gz BSVRCDTZUGYBCD-LUYSREMJSA-N 2 1 352.563 3.403 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000476950511 502631156 /nfs/dbraw/zinc/63/11/56/502631156.db2.gz IJIVOLDXJQVHQG-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1O ZINC000470022024 502633280 /nfs/dbraw/zinc/63/32/80/502633280.db2.gz GDVICJWZTRWHAS-OAHLLOKOSA-N 2 1 369.303 3.127 20 0 FGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000473552931 502634777 /nfs/dbraw/zinc/63/47/77/502634777.db2.gz RMLKDHUTFXQBDR-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000473552931 502634783 /nfs/dbraw/zinc/63/47/83/502634783.db2.gz RMLKDHUTFXQBDR-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000480679630 502640638 /nfs/dbraw/zinc/64/06/38/502640638.db2.gz VPYIKTINHZBOTH-OLKYXYMISA-N 2 1 364.533 3.480 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@H]4C3)c2cc1OCC ZINC000488173136 502646401 /nfs/dbraw/zinc/64/64/01/502646401.db2.gz BTNLNPRLRZNCLH-HOTGVXAUSA-N 2 1 355.482 3.493 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463058426 502679103 /nfs/dbraw/zinc/67/91/03/502679103.db2.gz MAAUSQNHELFOOY-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463058426 502679105 /nfs/dbraw/zinc/67/91/05/502679105.db2.gz MAAUSQNHELFOOY-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463058426 502679108 /nfs/dbraw/zinc/67/91/08/502679108.db2.gz MAAUSQNHELFOOY-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463069122 502682413 /nfs/dbraw/zinc/68/24/13/502682413.db2.gz NVKJQGXAGITBQY-HMXCVIKNSA-N 2 1 363.505 3.435 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463069122 502682417 /nfs/dbraw/zinc/68/24/17/502682417.db2.gz NVKJQGXAGITBQY-HMXCVIKNSA-N 2 1 363.505 3.435 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077925 502686365 /nfs/dbraw/zinc/68/63/65/502686365.db2.gz MKEFLHDMFNOZAR-OIBXWCBGSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077925 502686370 /nfs/dbraw/zinc/68/63/70/502686370.db2.gz MKEFLHDMFNOZAR-OIBXWCBGSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000484668293 502703208 /nfs/dbraw/zinc/70/32/08/502703208.db2.gz GHRADWNPXYQEDR-GHTZIAJQSA-N 2 1 368.525 3.109 20 0 FGADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484788099 502739925 /nfs/dbraw/zinc/73/99/25/502739925.db2.gz ICTIZTVCPYYQPN-CZYKHXBRSA-N 2 1 358.526 3.217 20 0 FGADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000470367848 502751297 /nfs/dbraw/zinc/75/12/97/502751297.db2.gz UCWYGZRUPMMBIA-UHFFFAOYSA-N 2 1 371.484 3.401 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000470366030 502752023 /nfs/dbraw/zinc/75/20/23/502752023.db2.gz BGIQVTRBJSTEMK-LPHOPBHVSA-N 2 1 355.507 3.164 20 0 FGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000484842853 502752369 /nfs/dbraw/zinc/75/23/69/502752369.db2.gz AJLBXDZOJXOWNI-QRVBRYPASA-N 2 1 362.514 3.121 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188342 502777420 /nfs/dbraw/zinc/77/74/20/502777420.db2.gz HHFILUITAIDJPD-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188342 502777424 /nfs/dbraw/zinc/77/74/24/502777424.db2.gz HHFILUITAIDJPD-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188342 502777428 /nfs/dbraw/zinc/77/74/28/502777428.db2.gz HHFILUITAIDJPD-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932129 502781287 /nfs/dbraw/zinc/78/12/87/502781287.db2.gz CXQAUEKCXVRZQF-IRXDYDNUSA-N 2 1 353.466 3.477 20 0 FGADMP CCN(Cc1cccs1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040644 502807799 /nfs/dbraw/zinc/80/77/99/502807799.db2.gz COMOMCQPLAGHCW-HKUYNNGSSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040644 502807806 /nfs/dbraw/zinc/80/78/06/502807806.db2.gz COMOMCQPLAGHCW-HKUYNNGSSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040644 502807811 /nfs/dbraw/zinc/80/78/11/502807811.db2.gz COMOMCQPLAGHCW-HKUYNNGSSA-N 2 1 371.550 3.349 20 0 FGADMP CC[NH+](Cc1cccs1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040644 502807820 /nfs/dbraw/zinc/80/78/20/502807820.db2.gz COMOMCQPLAGHCW-HKUYNNGSSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877567 502817757 /nfs/dbraw/zinc/81/77/57/502817757.db2.gz VNVYHWIEBXWJKG-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504877567 502817758 /nfs/dbraw/zinc/81/77/58/502817758.db2.gz VNVYHWIEBXWJKG-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504877567 502817760 /nfs/dbraw/zinc/81/77/60/502817760.db2.gz VNVYHWIEBXWJKG-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccn1C1CCCC1 ZINC000488968427 502849588 /nfs/dbraw/zinc/84/95/88/502849588.db2.gz CVSZNAWSXGYUQV-LJQANCHMSA-N 2 1 360.546 3.091 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145418 502862447 /nfs/dbraw/zinc/86/24/47/502862447.db2.gz SUWZGWFCEZZCKE-WFVVYAPDSA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513145418 502862454 /nfs/dbraw/zinc/86/24/54/502862454.db2.gz SUWZGWFCEZZCKE-WFVVYAPDSA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513145418 502862457 /nfs/dbraw/zinc/86/24/57/502862457.db2.gz SUWZGWFCEZZCKE-WFVVYAPDSA-N 2 1 356.432 3.166 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076226 502874937 /nfs/dbraw/zinc/87/49/37/502874937.db2.gz POWOBAKYNYVWPB-RBBKRZOGSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489076226 502874941 /nfs/dbraw/zinc/87/49/41/502874941.db2.gz POWOBAKYNYVWPB-RBBKRZOGSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489076226 502874942 /nfs/dbraw/zinc/87/49/42/502874942.db2.gz POWOBAKYNYVWPB-RBBKRZOGSA-N 2 1 372.557 3.072 20 0 FGADMP CN(C(=O)c1sccc1F)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000489148589 502887656 /nfs/dbraw/zinc/88/76/56/502887656.db2.gz PQGGAYQOFWLISQ-DLBZAZTESA-N 2 1 367.534 3.296 20 0 FGADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032506 502916906 /nfs/dbraw/zinc/91/69/06/502916906.db2.gz PQKKDUCYZBFHPK-ROUUACIJSA-N 2 1 358.530 3.019 20 0 FGADMP COc1ccsc1C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000513442424 502940504 /nfs/dbraw/zinc/94/05/04/502940504.db2.gz GQXCTIXUXWETOR-UHFFFAOYSA-N 2 1 359.539 3.006 20 0 FGADMP COc1ccsc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000513442424 502940508 /nfs/dbraw/zinc/94/05/08/502940508.db2.gz GQXCTIXUXWETOR-UHFFFAOYSA-N 2 1 359.539 3.006 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]CC(c2ccccc2)c2ccccc2)CC1(C)C ZINC000513496232 502953447 /nfs/dbraw/zinc/95/34/47/502953447.db2.gz BLKLFBACQFINMV-UHFFFAOYSA-N 2 1 351.538 3.434 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000513525104 502958702 /nfs/dbraw/zinc/95/87/02/502958702.db2.gz NAYFSDUUEINULG-QGZVFWFLSA-N 2 1 360.542 3.315 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710983 502973639 /nfs/dbraw/zinc/97/36/39/502973639.db2.gz HFMDRCPVVNWALC-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710983 502973644 /nfs/dbraw/zinc/97/36/44/502973644.db2.gz HFMDRCPVVNWALC-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710983 502973648 /nfs/dbraw/zinc/97/36/48/502973648.db2.gz HFMDRCPVVNWALC-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000513665163 502994912 /nfs/dbraw/zinc/99/49/12/502994912.db2.gz BXHSXYHRPZRREN-OIISXLGYSA-N 2 1 353.304 3.420 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000513665163 502994915 /nfs/dbraw/zinc/99/49/15/502994915.db2.gz BXHSXYHRPZRREN-OIISXLGYSA-N 2 1 353.304 3.420 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000489604390 502996359 /nfs/dbraw/zinc/99/63/59/502996359.db2.gz XTOPQCROMAPFNT-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604390 502996361 /nfs/dbraw/zinc/99/63/61/502996361.db2.gz XTOPQCROMAPFNT-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489604390 502996364 /nfs/dbraw/zinc/99/63/64/502996364.db2.gz XTOPQCROMAPFNT-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513819732 503030174 /nfs/dbraw/zinc/03/01/74/503030174.db2.gz BUAODCMGDGZHQS-LJQANCHMSA-N 2 1 373.541 3.065 20 0 FGADMP COc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1Cl ZINC000489829448 503044262 /nfs/dbraw/zinc/04/42/62/503044262.db2.gz ZUZCVXKNHYCXBC-UHFFFAOYSA-N 2 1 353.894 3.128 20 0 FGADMP COc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1Cl ZINC000489829448 503044264 /nfs/dbraw/zinc/04/42/64/503044264.db2.gz ZUZCVXKNHYCXBC-UHFFFAOYSA-N 2 1 353.894 3.128 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000501619028 503050690 /nfs/dbraw/zinc/05/06/90/503050690.db2.gz PBGGMSZJRLAMBV-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP CCC[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497908184 503064741 /nfs/dbraw/zinc/06/47/41/503064741.db2.gz OBTUAZRXBOLHSK-KRWDZBQOSA-N 2 1 371.447 3.256 20 0 FGADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501742150 503070971 /nfs/dbraw/zinc/07/09/71/503070971.db2.gz MLBCWUCJKFKYJN-QGZVFWFLSA-N 2 1 367.484 3.120 20 0 FGADMP CC[N@@H+](CC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000514058439 503076875 /nfs/dbraw/zinc/07/68/75/503076875.db2.gz VVDKVBVUBBDNJA-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293703 503086604 /nfs/dbraw/zinc/08/66/04/503086604.db2.gz AKXBCWFZCURNGK-MSOLQXFVSA-N 2 1 351.922 3.323 20 0 FGADMP COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501876496 503100142 /nfs/dbraw/zinc/10/01/42/503100142.db2.gz NPTDFFZHVBSMKQ-HXUWFJFHSA-N 2 1 367.965 3.375 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC000510367906 503100955 /nfs/dbraw/zinc/10/09/55/503100955.db2.gz VIHLLTYCCDMFME-SFHVURJKSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC000510367906 503100958 /nfs/dbraw/zinc/10/09/58/503100958.db2.gz VIHLLTYCCDMFME-SFHVURJKSA-N 2 1 361.505 3.125 20 0 FGADMP COc1cc(N[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067713 503103110 /nfs/dbraw/zinc/10/31/10/503103110.db2.gz PIHGZFBDOVNIPS-IEBWSBKVSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc(OC)c1 ZINC000490067713 503103113 /nfs/dbraw/zinc/10/31/13/503103113.db2.gz PIHGZFBDOVNIPS-IEBWSBKVSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cc(OC)c1 ZINC000490067713 503103116 /nfs/dbraw/zinc/10/31/16/503103116.db2.gz PIHGZFBDOVNIPS-IEBWSBKVSA-N 2 1 361.530 3.455 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186298 503107620 /nfs/dbraw/zinc/10/76/20/503107620.db2.gz JMKFPPMYGZBBOK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000514186298 503107626 /nfs/dbraw/zinc/10/76/26/503107626.db2.gz JMKFPPMYGZBBOK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000514186298 503107628 /nfs/dbraw/zinc/10/76/28/503107628.db2.gz JMKFPPMYGZBBOK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510554391 503143730 /nfs/dbraw/zinc/14/37/30/503143730.db2.gz SPXNKACAEOHAMG-SFHVURJKSA-N 2 1 362.562 3.125 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000498259768 503145239 /nfs/dbraw/zinc/14/52/39/503145239.db2.gz OFGHLSBBNXDUED-ZWKOTPCHSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490775985 503226656 /nfs/dbraw/zinc/22/66/56/503226656.db2.gz ZBALNUVOGPSSHK-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@H](NC(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490775985 503226658 /nfs/dbraw/zinc/22/66/58/503226658.db2.gz ZBALNUVOGPSSHK-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(CC[NH+](C)C)CC2)cc1)C1CC1 ZINC000498636925 503229773 /nfs/dbraw/zinc/22/97/73/503229773.db2.gz DTFHTCAALQJBRV-UHFFFAOYSA-N 2 1 357.542 3.475 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000511019769 503236362 /nfs/dbraw/zinc/23/63/62/503236362.db2.gz WBPXJCNVRBWDDQ-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000507138212 503238047 /nfs/dbraw/zinc/23/80/47/503238047.db2.gz IMLNZKRYEANISL-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507138212 503238052 /nfs/dbraw/zinc/23/80/52/503238052.db2.gz IMLNZKRYEANISL-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507138212 503238054 /nfs/dbraw/zinc/23/80/54/503238054.db2.gz IMLNZKRYEANISL-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054832 503266198 /nfs/dbraw/zinc/26/61/98/503266198.db2.gz DQXLJCODNPIELU-RTWAWAEBSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054832 503266200 /nfs/dbraw/zinc/26/62/00/503266200.db2.gz DQXLJCODNPIELU-RTWAWAEBSA-N 2 1 360.542 3.323 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)[C@H]2C1 ZINC000515089189 503269216 /nfs/dbraw/zinc/26/92/16/503269216.db2.gz HKHBPJSFCWJXMA-CZIXKKEKSA-N 2 1 369.553 3.276 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)[C@H]2C1 ZINC000515089189 503269221 /nfs/dbraw/zinc/26/92/21/503269221.db2.gz HKHBPJSFCWJXMA-CZIXKKEKSA-N 2 1 369.553 3.276 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837432 503273291 /nfs/dbraw/zinc/27/32/91/503273291.db2.gz LGCLPBAIIGBXBK-ICSRJNTNSA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837432 503273295 /nfs/dbraw/zinc/27/32/95/503273295.db2.gz LGCLPBAIIGBXBK-ICSRJNTNSA-N 2 1 364.505 3.009 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215052 503281554 /nfs/dbraw/zinc/28/15/54/503281554.db2.gz GUKHUQATFNSFLZ-GHTZIAJQSA-N 2 1 370.541 3.082 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000502874157 503294861 /nfs/dbraw/zinc/29/48/61/503294861.db2.gz DTXXMXPMKNRBKM-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000502874157 503294863 /nfs/dbraw/zinc/29/48/63/503294863.db2.gz DTXXMXPMKNRBKM-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000502874157 503294865 /nfs/dbraw/zinc/29/48/65/503294865.db2.gz DTXXMXPMKNRBKM-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000507415175 503297119 /nfs/dbraw/zinc/29/71/19/503297119.db2.gz UCYRSCISSPFLMV-RTBURBONSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCc2cc3ccccc3n(C)c2=O)C1 ZINC000491473179 503311551 /nfs/dbraw/zinc/31/15/51/503311551.db2.gz ZZFWFNLZINJLFM-UTKZUKDTSA-N 2 1 361.489 3.464 20 0 FGADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[NH+](C)C ZINC000491597478 503323192 /nfs/dbraw/zinc/32/31/92/503323192.db2.gz VUBGLKIJYVGKLF-AWEZNQCLSA-N 2 1 354.420 3.238 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000499108880 503336377 /nfs/dbraw/zinc/33/63/77/503336377.db2.gz CRNINFCCNASHLI-JBACZVJFSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000503065141 503339599 /nfs/dbraw/zinc/33/95/99/503339599.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000503065141 503339604 /nfs/dbraw/zinc/33/96/04/503339604.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000503065141 503339609 /nfs/dbraw/zinc/33/96/09/503339609.db2.gz VAXDCPADSXNUEV-BWAGFHJFSA-N 2 1 358.574 3.407 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499186084 503351705 /nfs/dbraw/zinc/35/17/05/503351705.db2.gz AEQXIPWEXTXHPS-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC(C)C)c1 ZINC000511611604 503354495 /nfs/dbraw/zinc/35/44/95/503354495.db2.gz ANRPIAWODZFHDP-UHFFFAOYSA-N 2 1 359.558 3.442 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000503226983 503372369 /nfs/dbraw/zinc/37/23/69/503372369.db2.gz UJXXVQCQEMRORZ-SQNIBIBYSA-N 2 1 351.922 3.368 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000503226983 503372374 /nfs/dbraw/zinc/37/23/74/503372374.db2.gz UJXXVQCQEMRORZ-SQNIBIBYSA-N 2 1 351.922 3.368 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@H+]1C ZINC000511882871 503407302 /nfs/dbraw/zinc/40/73/02/503407302.db2.gz XOQSNOLBHDNJOI-MISYRCLQSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882871 503407305 /nfs/dbraw/zinc/40/73/05/503407305.db2.gz XOQSNOLBHDNJOI-MISYRCLQSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882871 503407307 /nfs/dbraw/zinc/40/73/07/503407307.db2.gz XOQSNOLBHDNJOI-MISYRCLQSA-N 2 1 372.557 3.069 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccccc1Cl ZINC000493233843 503414535 /nfs/dbraw/zinc/41/45/35/503414535.db2.gz FFBKBTLUSWVEQZ-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506637 503421023 /nfs/dbraw/zinc/42/10/23/503421023.db2.gz GMDATQMMEIMEHP-QGZVFWFLSA-N 2 1 371.447 3.194 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)CC1 ZINC000511954128 503422711 /nfs/dbraw/zinc/42/27/11/503422711.db2.gz IZXBCBNRXPGWGE-UHFFFAOYSA-N 2 1 350.388 3.243 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000508104428 503431345 /nfs/dbraw/zinc/43/13/45/503431345.db2.gz QSMNXHUKXRUXOX-HXUWFJFHSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000508104428 503431349 /nfs/dbraw/zinc/43/13/49/503431349.db2.gz QSMNXHUKXRUXOX-HXUWFJFHSA-N 2 1 361.505 3.172 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ncc(C[NH+](C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000511995569 503431412 /nfs/dbraw/zinc/43/14/12/503431412.db2.gz AQYHYZNCIDWRLG-AEFFLSMTSA-N 2 1 358.555 3.347 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ncc(C[NH+](C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000511995569 503431416 /nfs/dbraw/zinc/43/14/16/503431416.db2.gz AQYHYZNCIDWRLG-AEFFLSMTSA-N 2 1 358.555 3.347 20 0 FGADMP C[N@H+](CCCCC1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000499648458 503449443 /nfs/dbraw/zinc/44/94/43/503449443.db2.gz UHNSTIRAYUIPIH-QFIPXVFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[N@@H+](CCCCC1CCOCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000499648458 503449446 /nfs/dbraw/zinc/44/94/46/503449446.db2.gz UHNSTIRAYUIPIH-QFIPXVFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[NH+](CCCCC1CCOCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000499648458 503449449 /nfs/dbraw/zinc/44/94/49/503449449.db2.gz UHNSTIRAYUIPIH-QFIPXVFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[NH+](CCCCC1CCOCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000499648458 503449452 /nfs/dbraw/zinc/44/94/52/503449452.db2.gz UHNSTIRAYUIPIH-QFIPXVFZSA-N 2 1 360.542 3.152 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493887563 503453189 /nfs/dbraw/zinc/45/31/89/503453189.db2.gz FTJPTUIZFKXWIT-MJGOQNOKSA-N 2 1 367.896 3.217 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911315 503457290 /nfs/dbraw/zinc/45/72/90/503457290.db2.gz FWAOXDAMPLQTGL-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911315 503457293 /nfs/dbraw/zinc/45/72/93/503457293.db2.gz FWAOXDAMPLQTGL-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911315 503457296 /nfs/dbraw/zinc/45/72/96/503457296.db2.gz FWAOXDAMPLQTGL-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000516244462 503479575 /nfs/dbraw/zinc/47/95/75/503479575.db2.gz SSOKGGIMVGEMEX-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882169 503482549 /nfs/dbraw/zinc/48/25/49/503482549.db2.gz FQFVICPXNSBAJS-JBACZVJFSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503882169 503482553 /nfs/dbraw/zinc/48/25/53/503482553.db2.gz FQFVICPXNSBAJS-JBACZVJFSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503882169 503482555 /nfs/dbraw/zinc/48/25/55/503482555.db2.gz FQFVICPXNSBAJS-JBACZVJFSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCCCn2cc[nH+]c2C)CC1 ZINC000512251696 503498451 /nfs/dbraw/zinc/49/84/51/503498451.db2.gz GAXCQLLIYZWIFF-UHFFFAOYSA-N 2 1 363.550 3.125 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000512289940 503510206 /nfs/dbraw/zinc/51/02/06/503510206.db2.gz QUSNGGLTQGBTOG-HGHGUNKESA-N 2 1 369.484 3.242 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000504130426 503528495 /nfs/dbraw/zinc/52/84/95/503528495.db2.gz ZMKMPMSXIUIUPO-RLLQIKCJSA-N 2 1 362.562 3.052 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704739 503546956 /nfs/dbraw/zinc/54/69/56/503546956.db2.gz WXRVSAHDBCPKIT-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704739 503546961 /nfs/dbraw/zinc/54/69/61/503546961.db2.gz WXRVSAHDBCPKIT-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508704739 503546967 /nfs/dbraw/zinc/54/69/67/503546967.db2.gz WXRVSAHDBCPKIT-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508704739 503546972 /nfs/dbraw/zinc/54/69/72/503546972.db2.gz WXRVSAHDBCPKIT-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP C[C@@H]([NH2+]CCCNC(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717319 503549491 /nfs/dbraw/zinc/54/94/91/503549491.db2.gz LNEUPRDQWYDCTJ-MJGOQNOKSA-N 2 1 371.550 3.368 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000504307543 503553266 /nfs/dbraw/zinc/55/32/66/503553266.db2.gz RKGOJWDTPAQIOE-CQSZACIVSA-N 2 1 350.532 3.113 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000504307543 503553269 /nfs/dbraw/zinc/55/32/69/503553269.db2.gz RKGOJWDTPAQIOE-CQSZACIVSA-N 2 1 350.532 3.113 20 0 FGADMP CC(C)[NH+]1CCc2nc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)sc2C1 ZINC000504307543 503553272 /nfs/dbraw/zinc/55/32/72/503553272.db2.gz RKGOJWDTPAQIOE-CQSZACIVSA-N 2 1 350.532 3.113 20 0 FGADMP CC(C)[NH+]1CCc2nc(NC(=O)CC[C@H]3CCCC[N@H+]3C)sc2C1 ZINC000504307543 503553275 /nfs/dbraw/zinc/55/32/75/503553275.db2.gz RKGOJWDTPAQIOE-CQSZACIVSA-N 2 1 350.532 3.113 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000500103498 503554905 /nfs/dbraw/zinc/55/49/05/503554905.db2.gz TVVAGYZLDZZTSY-GIVPXCGWSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000500103498 503554908 /nfs/dbraw/zinc/55/49/08/503554908.db2.gz TVVAGYZLDZZTSY-GIVPXCGWSA-N 2 1 357.542 3.278 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645595 503559513 /nfs/dbraw/zinc/55/95/13/503559513.db2.gz IIVMHFFSKRQYAM-FPOVZHCZSA-N 2 1 358.913 3.355 20 0 FGADMP [NH3+]CC12CCC(CC1)CN2C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000516658401 503562816 /nfs/dbraw/zinc/56/28/16/503562816.db2.gz MBVKSIFKGUGSRH-OJCRERRGSA-N 2 1 370.541 3.223 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182980 503573085 /nfs/dbraw/zinc/57/30/85/503573085.db2.gz MIIOKXNGMYIKIJ-SFHLNBCPSA-N 2 1 374.573 3.345 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604673 503573307 /nfs/dbraw/zinc/57/33/07/503573307.db2.gz YPUWKAVCJAKJLF-NSHGMRRFSA-N 2 1 360.546 3.017 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869736 503583221 /nfs/dbraw/zinc/58/32/21/503583221.db2.gz YWTQARDQAIWNFM-NRDMVMEKSA-N 2 1 372.557 3.335 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890672 503590127 /nfs/dbraw/zinc/59/01/27/503590127.db2.gz KCFWNYCJODIBAD-HOCLYGCPSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890672 503590131 /nfs/dbraw/zinc/59/01/31/503590131.db2.gz KCFWNYCJODIBAD-HOCLYGCPSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890672 503590134 /nfs/dbraw/zinc/59/01/34/503590134.db2.gz KCFWNYCJODIBAD-HOCLYGCPSA-N 2 1 355.320 3.490 20 0 FGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610833 503594557 /nfs/dbraw/zinc/59/45/57/503594557.db2.gz FJIKJRSQZXWOTG-HSALFYBXSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512642489 503601264 /nfs/dbraw/zinc/60/12/64/503601264.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512642489 503601267 /nfs/dbraw/zinc/60/12/67/503601267.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512642489 503601270 /nfs/dbraw/zinc/60/12/70/503601270.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512642489 503601271 /nfs/dbraw/zinc/60/12/71/503601271.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512642489 503601274 /nfs/dbraw/zinc/60/12/74/503601274.db2.gz QDXYFIFXHXBJQO-CQASOGEESA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000508961426 503608735 /nfs/dbraw/zinc/60/87/35/503608735.db2.gz BPSPFRSXJTZBLB-QGZVFWFLSA-N 2 1 371.525 3.494 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000516971773 503634771 /nfs/dbraw/zinc/63/47/71/503634771.db2.gz JNMUHXLYSPHUBO-STZQEDGTSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000516971773 503634772 /nfs/dbraw/zinc/63/47/72/503634772.db2.gz JNMUHXLYSPHUBO-STZQEDGTSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1)C1CC1 ZINC000516973007 503635940 /nfs/dbraw/zinc/63/59/40/503635940.db2.gz NONGDSUYFBVMRV-QFIPXVFZSA-N 2 1 363.505 3.369 20 0 FGADMP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)co2)cc1 ZINC000517020553 503645608 /nfs/dbraw/zinc/64/56/08/503645608.db2.gz ICLMRNLUNXAJPF-VQTJNVASSA-N 2 1 371.481 3.069 20 0 FGADMP c1ccc(N2CCO[C@@H](C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038870 503649243 /nfs/dbraw/zinc/64/92/43/503649243.db2.gz PWSKNRLETFYSHU-GMAHTHKFSA-N 2 1 371.569 3.480 20 0 FGADMP c1ccc(N2CCO[C@@H](C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038870 503649245 /nfs/dbraw/zinc/64/92/45/503649245.db2.gz PWSKNRLETFYSHU-GMAHTHKFSA-N 2 1 371.569 3.480 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660018 503664991 /nfs/dbraw/zinc/66/49/91/503664991.db2.gz SHQPEUJZJKLZGG-MJGOQNOKSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660018 503664993 /nfs/dbraw/zinc/66/49/93/503664993.db2.gz SHQPEUJZJKLZGG-MJGOQNOKSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660018 503664997 /nfs/dbraw/zinc/66/49/97/503664997.db2.gz SHQPEUJZJKLZGG-MJGOQNOKSA-N 2 1 362.514 3.160 20 0 FGADMP COC(=O)[C@@H]1CC12CC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000536668375 503670944 /nfs/dbraw/zinc/67/09/44/503670944.db2.gz BCLDHWAJVCQUCB-IBGZPJMESA-N 2 1 358.526 3.420 20 0 FGADMP COC(=O)[C@@H]1CC12CC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000536668375 503670945 /nfs/dbraw/zinc/67/09/45/503670945.db2.gz BCLDHWAJVCQUCB-IBGZPJMESA-N 2 1 358.526 3.420 20 0 FGADMP C[C@@H](Cc1ccccc1F)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000527099071 503678661 /nfs/dbraw/zinc/67/86/61/503678661.db2.gz ZUAHLYOTMPOUHJ-LPHOPBHVSA-N 2 1 361.530 3.397 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000529721099 503680742 /nfs/dbraw/zinc/68/07/42/503680742.db2.gz YFSNWZJHPBPJPO-NRFANRHFSA-N 2 1 355.526 3.419 20 0 FGADMP C[C@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000527116702 503686388 /nfs/dbraw/zinc/68/63/88/503686388.db2.gz PLLWIZWCPPGNPB-GOSISDBHSA-N 2 1 355.501 3.466 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000517365940 503725619 /nfs/dbraw/zinc/72/56/19/503725619.db2.gz OMZODWPPCDDWMM-BEFAXECRSA-N 2 1 369.534 3.104 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000517365940 503725625 /nfs/dbraw/zinc/72/56/25/503725625.db2.gz OMZODWPPCDDWMM-BEFAXECRSA-N 2 1 369.534 3.104 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000517393507 503735206 /nfs/dbraw/zinc/73/52/06/503735206.db2.gz REDIHXCPWZVCCU-KDURUIRLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000536833994 503735697 /nfs/dbraw/zinc/73/56/97/503735697.db2.gz RWBCXJMVJHSKKA-STZQEDGTSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000517411256 503739394 /nfs/dbraw/zinc/73/93/94/503739394.db2.gz YKKCVFOBPNJZPG-ROUUACIJSA-N 2 1 352.567 3.203 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000543460441 503781292 /nfs/dbraw/zinc/78/12/92/503781292.db2.gz MYLRSDYFDSFSRG-JKSUJKDBSA-N 2 1 363.571 3.169 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000543460441 503781297 /nfs/dbraw/zinc/78/12/97/503781297.db2.gz MYLRSDYFDSFSRG-JKSUJKDBSA-N 2 1 363.571 3.169 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccsc1 ZINC000546567751 503791814 /nfs/dbraw/zinc/79/18/14/503791814.db2.gz JGXQVVZCLXRGFO-SFHVURJKSA-N 2 1 364.559 3.082 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000530023352 503796124 /nfs/dbraw/zinc/79/61/24/503796124.db2.gz UXMVBVKZZAXKJH-NRFANRHFSA-N 2 1 355.526 3.419 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685872 503806709 /nfs/dbraw/zinc/80/67/09/503806709.db2.gz KLPDITXMJNLHKV-RTBURBONSA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685872 503806712 /nfs/dbraw/zinc/80/67/12/503806712.db2.gz KLPDITXMJNLHKV-RTBURBONSA-N 2 1 365.949 3.397 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3CCCCC3)CC2)cc1 ZINC000540560259 503817017 /nfs/dbraw/zinc/81/70/17/503817017.db2.gz QEXBQFFDPRZSNR-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3CCCCC3)CC2)cc1 ZINC000540560259 503817021 /nfs/dbraw/zinc/81/70/21/503817021.db2.gz QEXBQFFDPRZSNR-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3CCCCC3)CC2)cc1 ZINC000540560259 503817025 /nfs/dbraw/zinc/81/70/25/503817025.db2.gz QEXBQFFDPRZSNR-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000537204482 503841260 /nfs/dbraw/zinc/84/12/60/503841260.db2.gz QIBNXCMGVSFVCZ-NRFANRHFSA-N 2 1 359.558 3.322 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNc2cc[nH+]c(N3CCCCC3)n2)c1 ZINC000543700106 503856505 /nfs/dbraw/zinc/85/65/05/503856505.db2.gz WKJCRLQUNLFCRD-UHFFFAOYSA-N 2 1 353.514 3.343 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527656714 503879849 /nfs/dbraw/zinc/87/98/49/503879849.db2.gz JDTYGKSQMZKDRT-LLVKDONJSA-N 2 1 369.332 3.332 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031227 503893870 /nfs/dbraw/zinc/89/38/70/503893870.db2.gz YRTXGSKCOQNHMQ-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518031227 503893875 /nfs/dbraw/zinc/89/38/75/503893875.db2.gz YRTXGSKCOQNHMQ-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+]1CCN(C(=O)NCC2(CC)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000533615918 503902885 /nfs/dbraw/zinc/90/28/85/503902885.db2.gz LIIWSOJRXJTLBU-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CC[N@@H+](C)CC13CCCCC3)CC2 ZINC000530286618 503910484 /nfs/dbraw/zinc/91/04/84/503910484.db2.gz IGWDWDXMAQELLN-INIZCTEOSA-N 2 1 358.530 3.115 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CC[N@H+](C)CC13CCCCC3)C2 ZINC000530286618 503910490 /nfs/dbraw/zinc/91/04/90/503910490.db2.gz IGWDWDXMAQELLN-INIZCTEOSA-N 2 1 358.530 3.115 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CC[N@@H+](C)CC13CCCCC3)C2 ZINC000530286618 503910495 /nfs/dbraw/zinc/91/04/95/503910495.db2.gz IGWDWDXMAQELLN-INIZCTEOSA-N 2 1 358.530 3.115 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccccc1C[NH+]1CCCCC1 ZINC000540849116 503913606 /nfs/dbraw/zinc/91/36/06/503913606.db2.gz FXMMJJXGFJQJBB-UHFFFAOYSA-N 2 1 366.509 3.064 20 0 FGADMP C[C@@H](Cc1ccc(Cl)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000533677563 503919763 /nfs/dbraw/zinc/91/97/63/503919763.db2.gz ZMNUJMXNUSKRIX-HNNXBMFYSA-N 2 1 372.900 3.304 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1 ZINC000540883068 503923896 /nfs/dbraw/zinc/92/38/96/503923896.db2.gz DMONGRPEBFWKHA-MRXNPFEDSA-N 2 1 354.498 3.008 20 0 FGADMP Oc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000518262701 503939236 /nfs/dbraw/zinc/93/92/36/503939236.db2.gz WAYVITDQQDBYQW-MSOLQXFVSA-N 2 1 372.431 3.269 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000540991596 503968402 /nfs/dbraw/zinc/96/84/02/503968402.db2.gz HMXMOEKJIDKPHI-RBQRDFNRSA-N 2 1 354.469 3.415 20 0 FGADMP CCCCN(C(=O)C[N@@H+](C)[C@H]1CCSC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000533872279 503975870 /nfs/dbraw/zinc/97/58/70/503975870.db2.gz KWKFXMUUVLLTLW-INIZCTEOSA-N 2 1 369.619 3.362 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C3CCOCC3)C2)CC1 ZINC000537650144 503992115 /nfs/dbraw/zinc/99/21/15/503992115.db2.gz HPZPLDRHECNVQR-OAQYLSRUSA-N 2 1 371.569 3.467 20 0 FGADMP C[N@H+](C[C@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000518621566 504029376 /nfs/dbraw/zinc/02/93/76/504029376.db2.gz ZBKCHGASHHLFGP-INIZCTEOSA-N 2 1 356.432 3.340 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000518621566 504029380 /nfs/dbraw/zinc/02/93/80/504029380.db2.gz ZBKCHGASHHLFGP-INIZCTEOSA-N 2 1 356.432 3.340 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H]3c4ccccc4C(=O)N3C)CC2)C1 ZINC000528008083 504037758 /nfs/dbraw/zinc/03/77/58/504037758.db2.gz WIKHDQKPUSVFAS-HGHGUNKESA-N 2 1 355.526 3.446 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC2CC[NH+](CC)CC2)CC1)CC1CC1 ZINC000537818220 504052706 /nfs/dbraw/zinc/05/27/06/504052706.db2.gz UZYDABIILJXHMB-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000530699134 504057304 /nfs/dbraw/zinc/05/73/04/504057304.db2.gz UFVJCVYOYHDWTF-IBGZPJMESA-N 2 1 363.933 3.498 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc(Cn3c[nH+]cc3C)n2)cc1 ZINC000528085206 504064149 /nfs/dbraw/zinc/06/41/49/504064149.db2.gz HUWMVETZSHPGRK-UHFFFAOYSA-N 2 1 355.442 3.010 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289592 504075743 /nfs/dbraw/zinc/07/57/43/504075743.db2.gz SIUFGXAARWIIKF-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000534282645 504094737 /nfs/dbraw/zinc/09/47/37/504094737.db2.gz LPSSWWKOFRGIMM-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP O=C1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc2N1 ZINC000544362012 504103615 /nfs/dbraw/zinc/10/36/15/504103615.db2.gz BVZCQONNMOVKOE-FQEVSTJZSA-N 2 1 365.477 3.082 20 0 FGADMP Cc1ccc(CC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000538046538 504123923 /nfs/dbraw/zinc/12/39/23/504123923.db2.gz XPUNSIJDYGZVSV-BGYRXZFFSA-N 2 1 360.542 3.128 20 0 FGADMP Cc1ccc(CC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000538046538 504123928 /nfs/dbraw/zinc/12/39/28/504123928.db2.gz XPUNSIJDYGZVSV-BGYRXZFFSA-N 2 1 360.542 3.128 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000541541840 504170825 /nfs/dbraw/zinc/17/08/25/504170825.db2.gz KSCZZVKUPJCWRH-FSSWDIPSSA-N 2 1 359.558 3.085 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000544605287 504188835 /nfs/dbraw/zinc/18/88/35/504188835.db2.gz JTURZJYRSNXYJB-MSOLQXFVSA-N 2 1 374.529 3.108 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000544622508 504195508 /nfs/dbraw/zinc/19/55/08/504195508.db2.gz FISXLEZIHRZDGX-GOSISDBHSA-N 2 1 360.546 3.154 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CCCCC1 ZINC000547733000 504203162 /nfs/dbraw/zinc/20/31/62/504203162.db2.gz GMWGGOUGIVOEKY-UHFFFAOYSA-N 2 1 373.541 3.236 20 0 FGADMP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000547733417 504204060 /nfs/dbraw/zinc/20/40/60/504204060.db2.gz WOGSJCKMFQWIPX-UHFFFAOYSA-N 2 1 374.529 3.170 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000519416632 504217096 /nfs/dbraw/zinc/21/70/96/504217096.db2.gz KMUHXSXNYYSUBJ-MRXNPFEDSA-N 2 1 364.449 3.307 20 0 FGADMP CCC[C@H]1CN(C(=O)N[C@H](C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000538388250 504230562 /nfs/dbraw/zinc/23/05/62/504230562.db2.gz XGUHXQCVOHOJKZ-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCC[C@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000538388248 504230785 /nfs/dbraw/zinc/23/07/85/504230785.db2.gz XGUHXQCVOHOJKZ-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000531288733 504252554 /nfs/dbraw/zinc/25/25/54/504252554.db2.gz KCZLEWICUITCEX-DLBZAZTESA-N 2 1 352.482 3.097 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528659695 504317811 /nfs/dbraw/zinc/31/78/11/504317811.db2.gz YEWDPINSTYNWHY-BDKRGJGYSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528659695 504317814 /nfs/dbraw/zinc/31/78/14/504317814.db2.gz YEWDPINSTYNWHY-BDKRGJGYSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528659695 504317817 /nfs/dbraw/zinc/31/78/17/504317817.db2.gz YEWDPINSTYNWHY-BDKRGJGYSA-N 2 1 371.569 3.380 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[NH+]2CCCCC2)CC1 ZINC000531532247 504336200 /nfs/dbraw/zinc/33/62/00/504336200.db2.gz QZTCOYLPVDIAHU-UHFFFAOYSA-N 3 1 358.574 3.184 20 0 FGADMP CC1(C)[C@H](c2cccc(F)c2)CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528764072 504370349 /nfs/dbraw/zinc/37/03/49/504370349.db2.gz CKYFQTAKXKMJDV-FQEVSTJZSA-N 2 1 373.516 3.137 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000519937782 504388671 /nfs/dbraw/zinc/38/86/71/504388671.db2.gz PVKUMEIEZYLLFW-PGRDOPGGSA-N 2 1 374.573 3.448 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1)CC1CC1 ZINC000538857694 504394619 /nfs/dbraw/zinc/39/46/19/504394619.db2.gz UVWNENMRMXQJAB-UHFFFAOYSA-N 2 1 355.530 3.302 20 0 FGADMP c1cc(N[C@H]2CCC[C@@H]2C2CC2)cc2nc(CCN3CCOCC3)[nH]c12 ZINC000545242242 504412246 /nfs/dbraw/zinc/41/22/46/504412246.db2.gz RCBFXOGKAQRETO-MSOLQXFVSA-N 2 1 354.498 3.428 20 0 FGADMP Cc1cccc(C[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC(C)C)c1 ZINC000520173166 504425820 /nfs/dbraw/zinc/42/58/20/504425820.db2.gz QSESQKBPVGMVSC-UHFFFAOYSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C(F)(F)F)o1 ZINC000545311621 504439784 /nfs/dbraw/zinc/43/97/84/504439784.db2.gz UGMHYPFRWQLTDO-UHFFFAOYSA-N 2 1 368.359 3.006 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000520280398 504453284 /nfs/dbraw/zinc/45/32/84/504453284.db2.gz GKGGTYOFNLJFJW-OALUTQOASA-N 2 1 374.573 3.306 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000545351095 504456284 /nfs/dbraw/zinc/45/62/84/504456284.db2.gz RPYKSRMTQXQSMQ-OAHLLOKOSA-N 2 1 367.415 3.107 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000539088901 504469646 /nfs/dbraw/zinc/46/96/46/504469646.db2.gz CIRLNYRJQNEZOH-STZQEDGTSA-N 2 1 369.553 3.420 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3ccccc3C2)c2cccs2)CC1 ZINC000531932298 504479125 /nfs/dbraw/zinc/47/91/25/504479125.db2.gz FBOVOYRAXRQZLF-WOJBJXKFSA-N 2 1 355.551 3.184 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980384 504493499 /nfs/dbraw/zinc/49/34/99/504493499.db2.gz ITJGGPSNWBSCQX-NFAWXSAZSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980384 504493503 /nfs/dbraw/zinc/49/35/03/504493503.db2.gz ITJGGPSNWBSCQX-NFAWXSAZSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450689 504493983 /nfs/dbraw/zinc/49/39/83/504493983.db2.gz IEWXRZYOQVAHIX-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP CCc1ccc([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C(C)C)cc1 ZINC000539201032 504495931 /nfs/dbraw/zinc/49/59/31/504495931.db2.gz KSIPVISBEVDRHR-QFIPXVFZSA-N 2 1 359.558 3.478 20 0 FGADMP Cn1cccc1C(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000535675872 504503385 /nfs/dbraw/zinc/50/33/85/504503385.db2.gz MKFXHUFWAGFSKX-UHFFFAOYSA-N 2 1 351.494 3.196 20 0 FGADMP Cn1cccc1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535675872 504503390 /nfs/dbraw/zinc/50/33/90/504503390.db2.gz MKFXHUFWAGFSKX-UHFFFAOYSA-N 2 1 351.494 3.196 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535678599 504504794 /nfs/dbraw/zinc/50/47/94/504504794.db2.gz CWELVUGEGRGHOG-FQEVSTJZSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539295053 504522513 /nfs/dbraw/zinc/52/25/13/504522513.db2.gz JENRHOVGSVOZDK-VGOFRKELSA-N 2 1 354.542 3.470 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539295053 504522520 /nfs/dbraw/zinc/52/25/20/504522520.db2.gz JENRHOVGSVOZDK-VGOFRKELSA-N 2 1 354.542 3.470 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749654 504529809 /nfs/dbraw/zinc/52/98/09/504529809.db2.gz DGNYETDWKVSMPM-IRFCIJBXSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749654 504529812 /nfs/dbraw/zinc/52/98/12/504529812.db2.gz DGNYETDWKVSMPM-IRFCIJBXSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749654 504529813 /nfs/dbraw/zinc/52/98/13/504529813.db2.gz DGNYETDWKVSMPM-IRFCIJBXSA-N 2 1 372.557 3.021 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663366 504551679 /nfs/dbraw/zinc/55/16/79/504551679.db2.gz JRPBUSHSKXWASR-KURKYZTESA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663366 504551683 /nfs/dbraw/zinc/55/16/83/504551683.db2.gz JRPBUSHSKXWASR-KURKYZTESA-N 2 1 356.432 3.386 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000539394143 504554138 /nfs/dbraw/zinc/55/41/38/504554138.db2.gz OBIJWZLYRDEXHZ-LLGFUMIMSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000539394143 504554141 /nfs/dbraw/zinc/55/41/41/504554141.db2.gz OBIJWZLYRDEXHZ-LLGFUMIMSA-N 2 1 374.504 3.128 20 0 FGADMP COC(=O)c1occc1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539528800 504599373 /nfs/dbraw/zinc/59/93/73/504599373.db2.gz RHGUQWBLNGANOE-FUHWJXTLSA-N 2 1 356.466 3.457 20 0 FGADMP C[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000520987081 504623702 /nfs/dbraw/zinc/62/37/02/504623702.db2.gz UZMCAJPWTIVPKM-FQEVSTJZSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000521001352 504627019 /nfs/dbraw/zinc/62/70/19/504627019.db2.gz QZOBISWQMAIEOO-HRAATJIYSA-N 2 1 364.493 3.117 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000521061071 504641039 /nfs/dbraw/zinc/64/10/39/504641039.db2.gz XCOGTOYFFWSSCH-MOPGFXCFSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000521061071 504641044 /nfs/dbraw/zinc/64/10/44/504641044.db2.gz XCOGTOYFFWSSCH-MOPGFXCFSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061071 504641049 /nfs/dbraw/zinc/64/10/49/504641049.db2.gz XCOGTOYFFWSSCH-MOPGFXCFSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061071 504641052 /nfs/dbraw/zinc/64/10/52/504641052.db2.gz XCOGTOYFFWSSCH-MOPGFXCFSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139641 504659371 /nfs/dbraw/zinc/65/93/71/504659371.db2.gz HZTXNLUZSXPVQV-HDAAZOAOSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000521139641 504659377 /nfs/dbraw/zinc/65/93/77/504659377.db2.gz HZTXNLUZSXPVQV-HDAAZOAOSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000521139641 504659381 /nfs/dbraw/zinc/65/93/81/504659381.db2.gz HZTXNLUZSXPVQV-HDAAZOAOSA-N 2 1 357.542 3.134 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521309022 504705851 /nfs/dbraw/zinc/70/58/51/504705851.db2.gz HLUCTBKMMUMBRB-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000521309022 504705858 /nfs/dbraw/zinc/70/58/58/504705858.db2.gz HLUCTBKMMUMBRB-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000521309022 504705864 /nfs/dbraw/zinc/70/58/64/504705864.db2.gz HLUCTBKMMUMBRB-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC000549166734 504708849 /nfs/dbraw/zinc/70/88/49/504708849.db2.gz VOMYGRSXELFASU-FQEVSTJZSA-N 2 1 369.553 3.182 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc3ncccc3c2)c2cccs2)CC1 ZINC000521332737 504711752 /nfs/dbraw/zinc/71/17/52/504711752.db2.gz OLCFZAWROGQHEP-HXUWFJFHSA-N 2 1 366.534 3.375 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546163661 504730964 /nfs/dbraw/zinc/73/09/64/504730964.db2.gz OPTXDFCCRZLOGI-OAQYLSRUSA-N 2 1 373.928 3.455 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000536535644 504756589 /nfs/dbraw/zinc/75/65/89/504756589.db2.gz SMOOQLUBQSUOCA-HXUWFJFHSA-N 2 1 361.505 3.373 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)[C@@H](C)[C@@H]3C)c2c1C ZINC000540026476 504762074 /nfs/dbraw/zinc/76/20/74/504762074.db2.gz FDEAXOWIJAWWLL-GJZGRUSLSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)[C@@H](C)[C@@H]3C)c2c1C ZINC000540026476 504762076 /nfs/dbraw/zinc/76/20/76/504762076.db2.gz FDEAXOWIJAWWLL-GJZGRUSLSA-N 2 1 373.570 3.433 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000559069551 504773310 /nfs/dbraw/zinc/77/33/10/504773310.db2.gz OWFZLDJAPCTZGZ-FQEVSTJZSA-N 2 1 370.541 3.328 20 0 FGADMP COc1ccc(F)cc1CN1CCN(C[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000556122830 504801064 /nfs/dbraw/zinc/80/10/64/504801064.db2.gz GSRQXGCETOQTHH-HXUWFJFHSA-N 2 1 363.521 3.215 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154338 504809176 /nfs/dbraw/zinc/80/91/76/504809176.db2.gz APYMPMZREHIDQE-ROUUACIJSA-N 2 1 374.488 3.378 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234658 504825056 /nfs/dbraw/zinc/82/50/56/504825056.db2.gz WLKZSPBRQKQNDA-MSOLQXFVSA-N 2 1 355.530 3.423 20 0 FGADMP CC[C@H]1C[NH+](Cc2cncc(C[N@H+]3CCCO[C@@H](CC)C3)c2)CCCO1 ZINC000556271405 504833621 /nfs/dbraw/zinc/83/36/21/504833621.db2.gz LDMLLTSLBFIHER-SFTDATJTSA-N 2 1 361.530 3.083 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000562523009 504845473 /nfs/dbraw/zinc/84/54/73/504845473.db2.gz SAUOMWFMBVGGEZ-KLHJMIIUSA-N 2 1 365.481 3.485 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326422 504884356 /nfs/dbraw/zinc/88/43/56/504884356.db2.gz DHGNYUBCWPDWTC-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553326422 504884358 /nfs/dbraw/zinc/88/43/58/504884358.db2.gz DHGNYUBCWPDWTC-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553326422 504884360 /nfs/dbraw/zinc/88/43/60/504884360.db2.gz DHGNYUBCWPDWTC-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP Cn1ccnc1CN1CCC[C@@H]([NH2+]Cc2cc(Cl)sc2Cl)C1=O ZINC000562654462 504896685 /nfs/dbraw/zinc/89/66/85/504896685.db2.gz OPLWJBQZOHKMQA-LLVKDONJSA-N 2 1 373.309 3.069 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000559740035 504920562 /nfs/dbraw/zinc/92/05/62/504920562.db2.gz JSOZEBHMXKXKSB-GOTSBHOMSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@H]1c1ccccc1 ZINC000559740035 504920563 /nfs/dbraw/zinc/92/05/63/504920563.db2.gz JSOZEBHMXKXKSB-GOTSBHOMSA-N 2 1 364.537 3.471 20 0 FGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000556663033 504932446 /nfs/dbraw/zinc/93/24/46/504932446.db2.gz ZUERJTSNMFHTPD-DNVCBOLYSA-N 2 1 369.912 3.320 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1n1cccn1 ZINC000559925332 504952061 /nfs/dbraw/zinc/95/20/61/504952061.db2.gz VYMZBKRWJVJUFR-MIUGBVLSSA-N 2 1 368.525 3.102 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1n1cccn1 ZINC000559925332 504952065 /nfs/dbraw/zinc/95/20/65/504952065.db2.gz VYMZBKRWJVJUFR-MIUGBVLSSA-N 2 1 368.525 3.102 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCO[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686133 504958190 /nfs/dbraw/zinc/95/81/90/504958190.db2.gz SLQMTUWQLFYXIH-BHIFYINESA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686133 504958194 /nfs/dbraw/zinc/95/81/94/504958194.db2.gz SLQMTUWQLFYXIH-BHIFYINESA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCO[C@@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686133 504958199 /nfs/dbraw/zinc/95/81/99/504958199.db2.gz SLQMTUWQLFYXIH-BHIFYINESA-N 2 1 358.526 3.374 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097518 504966558 /nfs/dbraw/zinc/96/65/58/504966558.db2.gz RMVUJIOZMXLRAM-GOTSBHOMSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550097518 504966560 /nfs/dbraw/zinc/96/65/60/504966560.db2.gz RMVUJIOZMXLRAM-GOTSBHOMSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550097518 504966563 /nfs/dbraw/zinc/96/65/63/504966563.db2.gz RMVUJIOZMXLRAM-GOTSBHOMSA-N 2 1 368.496 3.327 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4c(n3)CCC4)CC2)CC1 ZINC000556773645 504970561 /nfs/dbraw/zinc/97/05/61/504970561.db2.gz FKTBJFMWKRAPGJ-UHFFFAOYSA-N 2 1 370.585 3.198 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000565733677 504971409 /nfs/dbraw/zinc/97/14/09/504971409.db2.gz INOOTSYYRZSQQK-WIYYLYMNSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733677 504971413 /nfs/dbraw/zinc/97/14/13/504971413.db2.gz INOOTSYYRZSQQK-WIYYLYMNSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733677 504971414 /nfs/dbraw/zinc/97/14/14/504971414.db2.gz INOOTSYYRZSQQK-WIYYLYMNSA-N 2 1 357.542 3.230 20 0 FGADMP CN1CC[NH+](CCCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000556858311 504997231 /nfs/dbraw/zinc/99/72/31/504997231.db2.gz CKMBWJPOFIWQRI-UHFFFAOYSA-N 3 1 372.601 3.047 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239530 504999363 /nfs/dbraw/zinc/99/93/63/504999363.db2.gz UWEGISQTBOPHIC-KNQAVFIVSA-N 2 1 360.542 3.142 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239530 504999368 /nfs/dbraw/zinc/99/93/68/504999368.db2.gz UWEGISQTBOPHIC-KNQAVFIVSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239530 504999373 /nfs/dbraw/zinc/99/93/73/504999373.db2.gz UWEGISQTBOPHIC-KNQAVFIVSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239530 504999376 /nfs/dbraw/zinc/99/93/76/504999376.db2.gz UWEGISQTBOPHIC-KNQAVFIVSA-N 2 1 360.542 3.142 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000553768554 505004144 /nfs/dbraw/zinc/00/41/44/505004144.db2.gz PWQBPEGZYITJLP-UYWIDEMCSA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768554 505004146 /nfs/dbraw/zinc/00/41/46/505004146.db2.gz PWQBPEGZYITJLP-UYWIDEMCSA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768554 505004150 /nfs/dbraw/zinc/00/41/50/505004150.db2.gz PWQBPEGZYITJLP-UYWIDEMCSA-N 2 1 357.542 3.086 20 0 FGADMP O=C(CC[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984397 505009354 /nfs/dbraw/zinc/00/93/54/505009354.db2.gz KGDPSMORIFPDIY-HXUWFJFHSA-N 2 1 351.494 3.169 20 0 FGADMP C[N@H+]1CCC[C@H]1CCN1CCN(c2cccc(Br)c2)CC1 ZINC000560170094 505010006 /nfs/dbraw/zinc/01/00/06/505010006.db2.gz GFOIFGXTFGDOIO-INIZCTEOSA-N 2 1 352.320 3.055 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000565954028 505036938 /nfs/dbraw/zinc/03/69/38/505036938.db2.gz LIPODVXIMLCOGK-HXUWFJFHSA-N 2 1 369.553 3.033 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135152 505057796 /nfs/dbraw/zinc/05/77/96/505057796.db2.gz HTFGTUXNZVENKK-JKSUJKDBSA-N 2 1 372.431 3.458 20 0 FGADMP [NH3+]CCC1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566073212 505072762 /nfs/dbraw/zinc/07/27/62/505072762.db2.gz JRCXNSBDTBWASN-OAQYLSRUSA-N 2 1 372.557 3.059 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Nc3cccc(OC)c3)CC2)cc1 ZINC000563214858 505078289 /nfs/dbraw/zinc/07/82/89/505078289.db2.gz BLJVUJDROVBBHC-GOSISDBHSA-N 2 1 369.509 3.323 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069450 505080658 /nfs/dbraw/zinc/08/06/58/505080658.db2.gz RUZFUOTZCDCHEF-OKZBNKHCSA-N 2 1 374.447 3.396 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069450 505080661 /nfs/dbraw/zinc/08/06/61/505080661.db2.gz RUZFUOTZCDCHEF-OKZBNKHCSA-N 2 1 374.447 3.396 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550664867 505081008 /nfs/dbraw/zinc/08/10/08/505081008.db2.gz AAQBAOJFDHQHRF-FCHUYYIVSA-N 2 1 365.521 3.356 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550664867 505081013 /nfs/dbraw/zinc/08/10/13/505081013.db2.gz AAQBAOJFDHQHRF-FCHUYYIVSA-N 2 1 365.521 3.356 20 0 FGADMP O[C@H]1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000557272592 505102500 /nfs/dbraw/zinc/10/25/00/505102500.db2.gz BHZVYALTZFRRTD-GOTSBHOMSA-N 2 1 371.569 3.009 20 0 FGADMP O[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000557272592 505102504 /nfs/dbraw/zinc/10/25/04/505102504.db2.gz BHZVYALTZFRRTD-GOTSBHOMSA-N 2 1 371.569 3.009 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000557272633 505102805 /nfs/dbraw/zinc/10/28/05/505102805.db2.gz CLCWLFBFONJOPI-YHYVQYDKSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000557272633 505102807 /nfs/dbraw/zinc/10/28/07/505102807.db2.gz CLCWLFBFONJOPI-YHYVQYDKSA-N 2 1 356.485 3.229 20 0 FGADMP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566170687 505103518 /nfs/dbraw/zinc/10/35/18/505103518.db2.gz XQAFFPDYISTHGT-PKOBYXMFSA-N 2 1 363.571 3.374 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000560546640 505121712 /nfs/dbraw/zinc/12/17/12/505121712.db2.gz JFGBKPGVTUXHDY-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@@H](C)c1cccnc1 ZINC000563382180 505127444 /nfs/dbraw/zinc/12/74/44/505127444.db2.gz DUFDNLPCWLEKRQ-SFHVURJKSA-N 2 1 372.557 3.187 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465846 505142185 /nfs/dbraw/zinc/14/21/85/505142185.db2.gz SFULQYJXVMCYHY-YADHBBJMSA-N 2 1 363.505 3.024 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465846 505142190 /nfs/dbraw/zinc/14/21/90/505142190.db2.gz SFULQYJXVMCYHY-YADHBBJMSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465846 505142195 /nfs/dbraw/zinc/14/21/95/505142195.db2.gz SFULQYJXVMCYHY-YADHBBJMSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465846 505142200 /nfs/dbraw/zinc/14/22/00/505142200.db2.gz SFULQYJXVMCYHY-YADHBBJMSA-N 2 1 363.505 3.024 20 0 FGADMP c1cc2c(c([C@@H]3CCC[N@@H+]3Cc3ccc4c(c3)C[NH2+]CC4)c1)OCCO2 ZINC000566351795 505150374 /nfs/dbraw/zinc/15/03/74/505150374.db2.gz DKRXFKKOYAAFAG-FQEVSTJZSA-N 2 1 350.462 3.441 20 0 FGADMP CCc1nc(NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)cc(C)[nH+]1 ZINC000557576885 505171885 /nfs/dbraw/zinc/17/18/85/505171885.db2.gz ZTKRONRACMDNQG-KRWDZBQOSA-N 2 1 354.498 3.081 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000560754413 505178661 /nfs/dbraw/zinc/17/86/61/505178661.db2.gz ADUZTHNSGVCHPI-SFHVURJKSA-N 2 1 372.557 3.200 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3c(O)cccc3Cl)CC2)CC1 ZINC000566458020 505181618 /nfs/dbraw/zinc/18/16/18/505181618.db2.gz WJNFOZVLOLMOPY-UHFFFAOYSA-N 2 1 365.905 3.180 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000563618651 505193673 /nfs/dbraw/zinc/19/36/73/505193673.db2.gz ZOFZWFWICAFZME-MSOLQXFVSA-N 2 1 368.949 3.346 20 0 FGADMP CN(c1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696893 505214947 /nfs/dbraw/zinc/21/49/47/505214947.db2.gz KVFULSSBBOHRGY-XZOQPEGZSA-N 2 1 369.553 3.360 20 0 FGADMP CN(c1ccccc1C[N@H+]1C[C@]2(CCCO2)[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696893 505214951 /nfs/dbraw/zinc/21/49/51/505214951.db2.gz KVFULSSBBOHRGY-XZOQPEGZSA-N 2 1 369.553 3.360 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@H]2CCC[C@H]21 ZINC000563827617 505250703 /nfs/dbraw/zinc/25/07/03/505250703.db2.gz DTSYLZLVYXKSQW-TUFGIGEDSA-N 2 1 354.897 3.093 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000551580701 505259462 /nfs/dbraw/zinc/25/94/62/505259462.db2.gz VNZIZSRUHCSLTO-LJQANCHMSA-N 2 1 369.513 3.102 20 0 FGADMP CSc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000566937246 505315765 /nfs/dbraw/zinc/31/57/65/505315765.db2.gz SAXPTKFUKMHCBR-APWZRJJASA-N 2 1 363.571 3.392 20 0 FGADMP CCc1ccc2occ(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2c1 ZINC000551934974 505346164 /nfs/dbraw/zinc/34/61/64/505346164.db2.gz MCQZJIDUKRDEFM-UHFFFAOYSA-N 2 1 364.449 3.394 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2CCCNc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000558404910 505379313 /nfs/dbraw/zinc/37/93/13/505379313.db2.gz PGZGCYKKOSCSPY-FCHUYYIVSA-N 2 1 351.494 3.160 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2CCCNc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000558404910 505379316 /nfs/dbraw/zinc/37/93/16/505379316.db2.gz PGZGCYKKOSCSPY-FCHUYYIVSA-N 2 1 351.494 3.160 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H]2CCC[C@@H]21 ZINC000552044159 505380035 /nfs/dbraw/zinc/38/00/35/505380035.db2.gz SLDLZTPXPDEWTB-NCOADZHNSA-N 2 1 365.468 3.329 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC(F)F ZINC000552044760 505380290 /nfs/dbraw/zinc/38/02/90/505380290.db2.gz LYUNGIDWOIJOAR-OAGGEKHMSA-N 2 1 354.441 3.302 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552053980 505382969 /nfs/dbraw/zinc/38/29/69/505382969.db2.gz DMJFXZJOBZTTLU-IVAOSVALSA-N 2 1 359.583 3.066 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000552063727 505386745 /nfs/dbraw/zinc/38/67/45/505386745.db2.gz KMYHRXXUTPZXLN-CNFALQKSSA-N 2 1 359.480 3.254 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000552063727 505386750 /nfs/dbraw/zinc/38/67/50/505386750.db2.gz KMYHRXXUTPZXLN-CNFALQKSSA-N 2 1 359.480 3.254 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000552063727 505386754 /nfs/dbraw/zinc/38/67/54/505386754.db2.gz KMYHRXXUTPZXLN-CNFALQKSSA-N 2 1 359.480 3.254 20 0 FGADMP C[C@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564382843 505401226 /nfs/dbraw/zinc/40/12/26/505401226.db2.gz YYEHJCJKUBTTQY-BVYCBKJFSA-N 2 1 369.553 3.025 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccccc21 ZINC000567260302 505410965 /nfs/dbraw/zinc/41/09/65/505410965.db2.gz FZAYLTBTCCNPIO-QHAWAJNXSA-N 2 1 371.912 3.448 20 0 FGADMP CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000564447596 505422417 /nfs/dbraw/zinc/42/24/17/505422417.db2.gz IZNMDYUWFRPTGD-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H]2CCC[C@H]21 ZINC000552244949 505439937 /nfs/dbraw/zinc/43/99/37/505439937.db2.gz OCVLGVUCIWIDAZ-WWEWDKITSA-N 2 1 363.496 3.392 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284323 505450178 /nfs/dbraw/zinc/45/01/78/505450178.db2.gz WOJITBJWLKKGRR-KSZLIROESA-N 2 1 359.905 3.192 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000555612491 505474865 /nfs/dbraw/zinc/47/48/65/505474865.db2.gz OWKDPRNEUABSOB-NRFANRHFSA-N 2 1 351.494 3.100 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564644684 505481224 /nfs/dbraw/zinc/48/12/24/505481224.db2.gz VEOQTYCTHHNPLL-PWRODBHTSA-N 2 1 372.557 3.105 20 0 FGADMP CC(C)(C)c1nnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564656904 505484605 /nfs/dbraw/zinc/48/46/05/505484605.db2.gz ZGOBWYNFNHJENI-QGZVFWFLSA-N 2 1 353.514 3.389 20 0 FGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000564840586 505534681 /nfs/dbraw/zinc/53/46/81/505534681.db2.gz JCOVMOLPEBGIGF-LLVKDONJSA-N 2 1 353.392 3.141 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000562241334 505549732 /nfs/dbraw/zinc/54/97/32/505549732.db2.gz OZRZYPQPIXBAQS-UYAOXDASSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000562241334 505549734 /nfs/dbraw/zinc/54/97/34/505549734.db2.gz OZRZYPQPIXBAQS-UYAOXDASSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000562241334 505549735 /nfs/dbraw/zinc/54/97/35/505549735.db2.gz OZRZYPQPIXBAQS-UYAOXDASSA-N 2 1 357.542 3.150 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000564973405 505564823 /nfs/dbraw/zinc/56/48/23/505564823.db2.gz IECMVJPZNYLSQW-IBGZPJMESA-N 2 1 368.525 3.183 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCCC[NH+]3C)cc2)C1 ZINC000599312387 506406457 /nfs/dbraw/zinc/40/64/57/506406457.db2.gz JIHFDNXNGTXPOX-LVCYWYKZSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599312387 506406461 /nfs/dbraw/zinc/40/64/61/506406461.db2.gz JIHFDNXNGTXPOX-LVCYWYKZSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599312387 506406467 /nfs/dbraw/zinc/40/64/67/506406467.db2.gz JIHFDNXNGTXPOX-LVCYWYKZSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000603286612 506476415 /nfs/dbraw/zinc/47/64/15/506476415.db2.gz LOYZVQUYQRIDOM-SFHVURJKSA-N 2 1 361.530 3.011 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000603307832 506481628 /nfs/dbraw/zinc/48/16/28/506481628.db2.gz XMFOIRASVAGERK-ROUUACIJSA-N 2 1 361.530 3.010 20 0 FGADMP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517339 506539232 /nfs/dbraw/zinc/53/92/32/506539232.db2.gz PVJMOBSUKSSLGH-HSZRJFAPSA-N 3 1 371.569 3.406 20 0 FGADMP c1ccc(C[NH+]2CCCCC2)c(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517339 506539238 /nfs/dbraw/zinc/53/92/38/506539238.db2.gz PVJMOBSUKSSLGH-HSZRJFAPSA-N 2 1 371.569 3.406 20 0 FGADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC(F)F ZINC000603517183 506539282 /nfs/dbraw/zinc/53/92/82/506539282.db2.gz HTJRKOJEMZZUDL-MRXNPFEDSA-N 2 1 370.440 3.030 20 0 FGADMP FC(F)(F)Oc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517467 506540106 /nfs/dbraw/zinc/54/01/06/506540106.db2.gz YFMQYPHIPYKNTQ-KRWDZBQOSA-N 2 1 358.404 3.318 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593725 506569413 /nfs/dbraw/zinc/56/94/13/506569413.db2.gz XQNYUYYADBNWNN-HKUYNNGSSA-N 2 1 358.530 3.043 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CSc4ccccc43)CC2)CC1 ZINC000583272185 506689548 /nfs/dbraw/zinc/68/95/48/506689548.db2.gz BXWHPIYUHATEEQ-LJQANCHMSA-N 2 1 373.566 3.146 20 0 FGADMP CCCn1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000583290405 506697814 /nfs/dbraw/zinc/69/78/14/506697814.db2.gz UXRZZRVJTWXKJO-HSZRJFAPSA-N 2 1 366.553 3.290 20 0 FGADMP CCCn1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000583290405 506697818 /nfs/dbraw/zinc/69/78/18/506697818.db2.gz UXRZZRVJTWXKJO-HSZRJFAPSA-N 2 1 366.553 3.290 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000604073708 506703279 /nfs/dbraw/zinc/70/32/79/506703279.db2.gz IIXKPGXYDNHHEE-FQEVSTJZSA-N 2 1 372.557 3.215 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195898 506746799 /nfs/dbraw/zinc/74/67/99/506746799.db2.gz WYJMGMYGJJPOSM-NHCUHLMSSA-N 2 1 372.557 3.387 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000600121495 506787617 /nfs/dbraw/zinc/78/76/17/506787617.db2.gz VEIFCIQINDVULY-IBGZPJMESA-N 2 1 369.475 3.348 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc(F)c2F)c2cccs2)CC1 ZINC000594049898 506907940 /nfs/dbraw/zinc/90/79/40/506907940.db2.gz QGETWZKRLGWVHI-MRXNPFEDSA-N 2 1 351.466 3.105 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000594105049 506941916 /nfs/dbraw/zinc/94/19/16/506941916.db2.gz WYUQRGYNLLJWOF-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594105049 506941922 /nfs/dbraw/zinc/94/19/22/506941922.db2.gz WYUQRGYNLLJWOF-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594105049 506941927 /nfs/dbraw/zinc/94/19/27/506941927.db2.gz WYUQRGYNLLJWOF-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000590786517 506954383 /nfs/dbraw/zinc/95/43/83/506954383.db2.gz FMRODTYNCWIIPJ-RTBURBONSA-N 2 1 359.558 3.347 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000590786516 506956100 /nfs/dbraw/zinc/95/61/00/506956100.db2.gz FMRODTYNCWIIPJ-RBUKOAKNSA-N 2 1 359.558 3.347 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCC[NH+](CCc3ccccc3)C1)CC2 ZINC000613232263 506983999 /nfs/dbraw/zinc/98/39/99/506983999.db2.gz PJZTTXZEYCMSCN-OAQYLSRUSA-N 2 1 369.553 3.028 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCC[N@H+](CCc3ccccc3)C1)CC2 ZINC000613232263 506984009 /nfs/dbraw/zinc/98/40/09/506984009.db2.gz PJZTTXZEYCMSCN-OAQYLSRUSA-N 2 1 369.553 3.028 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000613232263 506984016 /nfs/dbraw/zinc/98/40/16/506984016.db2.gz PJZTTXZEYCMSCN-OAQYLSRUSA-N 2 1 369.553 3.028 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2C)cc1 ZINC000583934651 507058490 /nfs/dbraw/zinc/05/84/90/507058490.db2.gz PPTHDEYECCOUOM-JOCHJYFZSA-N 2 1 368.525 3.132 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2C)cc1 ZINC000583934651 507058498 /nfs/dbraw/zinc/05/84/98/507058498.db2.gz PPTHDEYECCOUOM-JOCHJYFZSA-N 2 1 368.525 3.132 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128288 507125965 /nfs/dbraw/zinc/12/59/65/507125965.db2.gz SDTCUMVTVLDZFZ-GHTZIAJQSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000600831856 507141591 /nfs/dbraw/zinc/14/15/91/507141591.db2.gz HCPDBMFDGDUYHB-VQTJNVASSA-N 2 1 360.546 3.243 20 0 FGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000601003535 507223890 /nfs/dbraw/zinc/22/38/90/507223890.db2.gz JTPFXDUSNYMNJJ-LJQANCHMSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584229988 507226424 /nfs/dbraw/zinc/22/64/24/507226424.db2.gz CUUVTZNKGWHXBI-JTDSTZFVSA-N 2 1 361.530 3.259 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584229988 507226432 /nfs/dbraw/zinc/22/64/32/507226432.db2.gz CUUVTZNKGWHXBI-JTDSTZFVSA-N 2 1 361.530 3.259 20 0 FGADMP CCC[NH+]1CCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591447127 507254524 /nfs/dbraw/zinc/25/45/24/507254524.db2.gz FDQJHFRWIMCPEY-LJQANCHMSA-N 2 1 373.541 3.108 20 0 FGADMP CCC[NH+]1CCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591447127 507254538 /nfs/dbraw/zinc/25/45/38/507254538.db2.gz FDQJHFRWIMCPEY-LJQANCHMSA-N 2 1 373.541 3.108 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591456241 507257253 /nfs/dbraw/zinc/25/72/53/507257253.db2.gz HFAOZPCVWRWKQF-MSOLQXFVSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000591456241 507257261 /nfs/dbraw/zinc/25/72/61/507257261.db2.gz HFAOZPCVWRWKQF-MSOLQXFVSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000591456241 507257269 /nfs/dbraw/zinc/25/72/69/507257269.db2.gz HFAOZPCVWRWKQF-MSOLQXFVSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591554164 507289016 /nfs/dbraw/zinc/28/90/16/507289016.db2.gz UWWONNPSCQXIIJ-ZWKOTPCHSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)[N@H+](C)C1CC1 ZINC000591554164 507289027 /nfs/dbraw/zinc/28/90/27/507289027.db2.gz UWWONNPSCQXIIJ-ZWKOTPCHSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000591554164 507289034 /nfs/dbraw/zinc/28/90/34/507289034.db2.gz UWWONNPSCQXIIJ-ZWKOTPCHSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000591559096 507291678 /nfs/dbraw/zinc/29/16/78/507291678.db2.gz GZAULUWIKRKENY-VAMGGRTRSA-N 2 1 366.594 3.164 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)n1 ZINC000584351248 507297129 /nfs/dbraw/zinc/29/71/29/507297129.db2.gz YFAGOZRTGWBYNJ-SFHVURJKSA-N 2 1 364.415 3.467 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000601285229 507321811 /nfs/dbraw/zinc/32/18/11/507321811.db2.gz GRSQNMXXNDTXIW-LEWJYISDSA-N 2 1 372.557 3.213 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000601290195 507324346 /nfs/dbraw/zinc/32/43/46/507324346.db2.gz IBQMKJVKWXYYAM-RTWAWAEBSA-N 2 1 372.557 3.306 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000601297588 507327369 /nfs/dbraw/zinc/32/73/69/507327369.db2.gz QDQKZPDKDXMBLU-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000601297588 507327374 /nfs/dbraw/zinc/32/73/74/507327374.db2.gz QDQKZPDKDXMBLU-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000584691742 507453373 /nfs/dbraw/zinc/45/33/73/507453373.db2.gz WDOLLBPXSBMECH-YPAWHYETSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691742 507453378 /nfs/dbraw/zinc/45/33/78/507453378.db2.gz WDOLLBPXSBMECH-YPAWHYETSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691742 507453383 /nfs/dbraw/zinc/45/33/83/507453383.db2.gz WDOLLBPXSBMECH-YPAWHYETSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000595378063 507476670 /nfs/dbraw/zinc/47/66/70/507476670.db2.gz VOFFOIZNNMTXOR-IBGZPJMESA-N 2 1 373.541 3.156 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704667 507489790 /nfs/dbraw/zinc/48/97/90/507489790.db2.gz BJPFAOSMCIHBAH-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n1C ZINC000602013182 507553308 /nfs/dbraw/zinc/55/33/08/507553308.db2.gz WTONCMHRIAXZAP-KSSFIOAISA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1C ZINC000602013182 507553315 /nfs/dbraw/zinc/55/33/15/507553315.db2.gz WTONCMHRIAXZAP-KSSFIOAISA-N 2 1 361.511 3.046 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057460 507599642 /nfs/dbraw/zinc/59/96/42/507599642.db2.gz RHVDUMVTAFNIFF-OAHLLOKOSA-N 2 1 370.900 3.359 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175902 507645533 /nfs/dbraw/zinc/64/55/33/507645533.db2.gz ZCKMJSKRBYWENB-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175902 507645540 /nfs/dbraw/zinc/64/55/40/507645540.db2.gz ZCKMJSKRBYWENB-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000607175902 507645544 /nfs/dbraw/zinc/64/55/44/507645544.db2.gz ZCKMJSKRBYWENB-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)CC(C)C ZINC000592483676 507674954 /nfs/dbraw/zinc/67/49/54/507674954.db2.gz HFJAFNRBCFCYGV-PKOBYXMFSA-N 2 1 352.567 3.059 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602487313 507724151 /nfs/dbraw/zinc/72/41/51/507724151.db2.gz WULBWGQQTNVWAB-LJQANCHMSA-N 2 1 369.475 3.392 20 0 FGADMP Cc1cnc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc1NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000532045709 562465072 /nfs/dbraw/zinc/46/50/72/562465072.db2.gz OLMWZFZRGHEGMB-OALUTQOASA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@@H]2CC[NH+](C(C)C)C2)nc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000532045709 562465073 /nfs/dbraw/zinc/46/50/73/562465073.db2.gz OLMWZFZRGHEGMB-OALUTQOASA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@@H]2CC[NH+](C(C)C)C2)nc1NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000532045709 562465074 /nfs/dbraw/zinc/46/50/74/562465074.db2.gz OLMWZFZRGHEGMB-OALUTQOASA-N 2 1 374.577 3.069 20 0 FGADMP COc1ccccc1-c1ncc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cn1 ZINC000644833524 567884499 /nfs/dbraw/zinc/88/44/99/567884499.db2.gz VPRHHTZSOLKEDE-VQIMIIECSA-N 2 1 363.465 3.432 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CC[NH+](C3CCCCC3)CC2)[nH+]1 ZINC000822192802 606142463 /nfs/dbraw/zinc/14/24/63/606142463.db2.gz BCOQTZSKVZLTOF-UHFFFAOYSA-N 2 1 355.490 3.088 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945769 608501747 /nfs/dbraw/zinc/50/17/47/608501747.db2.gz FLMDKWZZLDJQHP-JXFKEZNVSA-N 2 1 368.529 3.346 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824936086 608744016 /nfs/dbraw/zinc/74/40/16/608744016.db2.gz DSESQOJNTWLSKH-OAHLLOKOSA-N 2 1 374.558 3.405 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548370 609147619 /nfs/dbraw/zinc/14/76/19/609147619.db2.gz WMSCXRNKQZMQAA-AWEZNQCLSA-N 2 1 372.492 3.454 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825391466 609333315 /nfs/dbraw/zinc/33/33/15/609333315.db2.gz ZSTPIGCWRPRXSR-AWEZNQCLSA-N 2 1 368.460 3.308 20 0 FGADMP C[C@H](C1CC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000071838176 695958221 /nfs/dbraw/zinc/95/82/21/695958221.db2.gz CYBDALPBYRHZEZ-BEFAXECRSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H](C1CC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000071838176 695958223 /nfs/dbraw/zinc/95/82/23/695958223.db2.gz CYBDALPBYRHZEZ-BEFAXECRSA-N 2 1 363.933 3.323 20 0 FGADMP C[N@@H+](Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000088183159 700376785 /nfs/dbraw/zinc/37/67/85/700376785.db2.gz WYEMBGCFOCYOAS-YIONKMFJSA-N 2 1 356.251 3.006 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000116614397 700595450 /nfs/dbraw/zinc/59/54/50/700595450.db2.gz RHGKPSPJQFHGKF-UHFFFAOYSA-N 2 1 358.511 3.159 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000129722094 700791163 /nfs/dbraw/zinc/79/11/63/700791163.db2.gz YJQRGZSSXLVQJV-LPHOPBHVSA-N 2 1 360.527 3.233 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129722094 700791167 /nfs/dbraw/zinc/79/11/67/700791167.db2.gz YJQRGZSSXLVQJV-LPHOPBHVSA-N 2 1 360.527 3.233 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000156315671 705110969 /nfs/dbraw/zinc/11/09/69/705110969.db2.gz ADUZYUKGRXMJMN-IRXDYDNUSA-N 2 1 350.507 3.255 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cn2c3ccc(Cl)cc3oc2=O)CC1 ZINC000160032237 705241928 /nfs/dbraw/zinc/24/19/28/705241928.db2.gz GYAQLHNXPGZTHE-UHFFFAOYSA-N 2 1 351.878 3.259 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173340117 705455140 /nfs/dbraw/zinc/45/51/40/705455140.db2.gz QYBKHXODXIABOV-BQFCYCMXSA-N 2 1 351.535 3.144 20 0 FGADMP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000177488747 705624777 /nfs/dbraw/zinc/62/47/77/705624777.db2.gz UQMRLHPXKZXKFF-MAUKXSAKSA-N 2 1 351.535 3.381 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000183903493 705909574 /nfs/dbraw/zinc/90/95/74/705909574.db2.gz WQSKVTIAQRTQKQ-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000185303029 712691459 /nfs/dbraw/zinc/69/14/59/712691459.db2.gz BDASFFCYAZLKHY-ROUUACIJSA-N 2 1 367.877 3.106 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666246 713655928 /nfs/dbraw/zinc/65/59/28/713655928.db2.gz NMTRZMZFERQSSN-ABSDTBQOSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666246 713655933 /nfs/dbraw/zinc/65/59/33/713655933.db2.gz NMTRZMZFERQSSN-ABSDTBQOSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666246 713655936 /nfs/dbraw/zinc/65/59/36/713655936.db2.gz NMTRZMZFERQSSN-ABSDTBQOSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309053 713912529 /nfs/dbraw/zinc/91/25/29/713912529.db2.gz HZEASHHQVXRWLF-BEFAXECRSA-N 2 1 358.917 3.350 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418567775 714010191 /nfs/dbraw/zinc/01/01/91/714010191.db2.gz BFGHQIYPLCRWIQ-RTBURBONSA-N 2 1 352.567 3.046 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1C ZINC000525709046 714370665 /nfs/dbraw/zinc/37/06/65/714370665.db2.gz HWOKTCRGEOWGPK-BLLLJJGKSA-N 2 1 351.288 3.297 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@H+]1C ZINC000525709046 714370668 /nfs/dbraw/zinc/37/06/68/714370668.db2.gz HWOKTCRGEOWGPK-BLLLJJGKSA-N 2 1 351.288 3.297 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000577742888 714468811 /nfs/dbraw/zinc/46/88/11/714468811.db2.gz JBRSTJKCNREWMC-IBGZPJMESA-N 2 1 363.933 3.420 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000615951677 714558620 /nfs/dbraw/zinc/55/86/20/714558620.db2.gz YPKUYKVPQRYEJT-UHFFFAOYSA-N 2 1 354.583 3.259 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1Cl ZINC000642630285 717985710 /nfs/dbraw/zinc/98/57/10/717985710.db2.gz RXDFYWQYSQDEOQ-KRWDZBQOSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000617507075 714663232 /nfs/dbraw/zinc/66/32/32/714663232.db2.gz HCYUXTVJHIZIGD-INIZCTEOSA-N 2 1 365.949 3.051 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2ccccc2Cl)CC1 ZINC000617507075 714663234 /nfs/dbraw/zinc/66/32/34/714663234.db2.gz HCYUXTVJHIZIGD-INIZCTEOSA-N 2 1 365.949 3.051 20 0 FGADMP Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504583 714663387 /nfs/dbraw/zinc/66/33/87/714663387.db2.gz BAJWOIRXLRJCOH-ZDUSSCGKSA-N 2 1 365.518 3.351 20 0 FGADMP Cc1c2cc(F)ccc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504583 714663392 /nfs/dbraw/zinc/66/33/92/714663392.db2.gz BAJWOIRXLRJCOH-ZDUSSCGKSA-N 2 1 365.518 3.351 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000617507688 714663519 /nfs/dbraw/zinc/66/35/19/714663519.db2.gz FYQIWSDAEOSKRH-NSHDSACASA-N 2 1 364.292 3.134 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)c(F)cc1Cl ZINC000617507688 714663520 /nfs/dbraw/zinc/66/35/20/714663520.db2.gz FYQIWSDAEOSKRH-NSHDSACASA-N 2 1 364.292 3.134 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2ccc(Cl)s2)CC1 ZINC000619180508 714808849 /nfs/dbraw/zinc/80/88/49/714808849.db2.gz XHMHGWOLCDLOFQ-UHFFFAOYSA-N 2 1 364.902 3.120 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104811 714960372 /nfs/dbraw/zinc/96/03/72/714960372.db2.gz FJMBWJZFNUXMBR-APWZRJJASA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104811 714960373 /nfs/dbraw/zinc/96/03/73/714960373.db2.gz FJMBWJZFNUXMBR-APWZRJJASA-N 2 1 363.933 3.181 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC[NH2+]1 ZINC000643525826 718038174 /nfs/dbraw/zinc/03/81/74/718038174.db2.gz SAFORWGVZOWASL-VDNDLQMASA-N 2 1 353.304 3.399 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399246 715327789 /nfs/dbraw/zinc/32/77/89/715327789.db2.gz CZHQMBHTSSKPJV-CVEARBPZSA-N 2 1 366.347 3.490 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507281 715350485 /nfs/dbraw/zinc/35/04/85/715350485.db2.gz BNUBXQRXOWCFTP-GDBMZVCRSA-N 2 1 369.347 3.063 20 0 FGADMP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4scnc43)cc2)CC1 ZINC000623888570 715424868 /nfs/dbraw/zinc/42/48/68/715424868.db2.gz LGRQTQZKWBKMRG-SFHVURJKSA-N 2 1 357.523 3.267 20 0 FGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888671 715424920 /nfs/dbraw/zinc/42/49/20/715424920.db2.gz PKPATUGQOJOHCK-SJLPKXTDSA-N 2 1 351.560 3.383 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](C)[NH2+][C@@H](C)C3)c2c1C ZINC000624406090 715528125 /nfs/dbraw/zinc/52/81/25/715528125.db2.gz UVYBTBAKNWBKRW-BETUJISGSA-N 2 1 359.543 3.091 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CCC(F)(F)CC1 ZINC000625022836 715643899 /nfs/dbraw/zinc/64/38/99/715643899.db2.gz COICKLLANVMFPY-QGZVFWFLSA-N 2 1 359.505 3.077 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416148 /nfs/dbraw/zinc/41/61/48/724416148.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416149 /nfs/dbraw/zinc/41/61/49/724416149.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477313 724416150 /nfs/dbraw/zinc/41/61/50/724416150.db2.gz AREXPXWVGPWAAJ-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969535 716193851 /nfs/dbraw/zinc/19/38/51/716193851.db2.gz ULAFLODURHVKCH-LRDDRELGSA-N 2 1 358.313 3.054 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567214 716309964 /nfs/dbraw/zinc/30/99/64/716309964.db2.gz PGBPLOZGUPUQDY-NWDGAFQWSA-N 2 1 363.811 3.128 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567214 716309970 /nfs/dbraw/zinc/30/99/70/716309970.db2.gz PGBPLOZGUPUQDY-NWDGAFQWSA-N 2 1 363.811 3.128 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000629601008 716317216 /nfs/dbraw/zinc/31/72/16/716317216.db2.gz DDKXFENRZBIJQN-DPDLHNOKSA-N 2 1 356.897 3.061 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Cl)[C@@H]21 ZINC000629601008 716317219 /nfs/dbraw/zinc/31/72/19/716317219.db2.gz DDKXFENRZBIJQN-DPDLHNOKSA-N 2 1 356.897 3.061 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979445 717396829 /nfs/dbraw/zinc/39/68/29/717396829.db2.gz SKMMODNIACPTMM-HZPDHXFCSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979445 717396833 /nfs/dbraw/zinc/39/68/33/717396833.db2.gz SKMMODNIACPTMM-HZPDHXFCSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979445 717396836 /nfs/dbraw/zinc/39/68/36/717396836.db2.gz SKMMODNIACPTMM-HZPDHXFCSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979445 717396840 /nfs/dbraw/zinc/39/68/40/717396840.db2.gz SKMMODNIACPTMM-HZPDHXFCSA-N 2 1 353.457 3.330 20 0 FGADMP O=c1c(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccn1C(F)F ZINC000638025180 717402250 /nfs/dbraw/zinc/40/22/50/717402250.db2.gz XWKHCXNKMBOWLJ-INIZCTEOSA-N 2 1 353.457 3.331 20 0 FGADMP O=c1c(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cccn1C(F)F ZINC000638025180 717402257 /nfs/dbraw/zinc/40/22/57/717402257.db2.gz XWKHCXNKMBOWLJ-INIZCTEOSA-N 2 1 353.457 3.331 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639041518 717507435 /nfs/dbraw/zinc/50/74/35/717507435.db2.gz LXZOPYGAOLXJQE-ZFWWWQNUSA-N 2 1 368.319 3.158 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639062278 717510229 /nfs/dbraw/zinc/51/02/29/717510229.db2.gz WVJUUZMMLJTGJG-UYAOXDASSA-N 2 1 364.555 3.159 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639062278 717510236 /nfs/dbraw/zinc/51/02/36/717510236.db2.gz WVJUUZMMLJTGJG-UYAOXDASSA-N 2 1 364.555 3.159 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000644151335 718087965 /nfs/dbraw/zinc/08/79/65/718087965.db2.gz YQSTVACKMIMINS-MRXNPFEDSA-N 2 1 370.324 3.072 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017531 718258472 /nfs/dbraw/zinc/25/84/72/718258472.db2.gz YBNZZIRZZJKQJL-INIZCTEOSA-N 2 1 357.376 3.194 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975866 718391016 /nfs/dbraw/zinc/39/10/16/718391016.db2.gz HBJYRXWCUVRSIE-YESZJQIVSA-N 2 1 361.555 3.447 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)cc1 ZINC000649365409 718508001 /nfs/dbraw/zinc/50/80/01/718508001.db2.gz JNIHRJUBGOWLPX-UHFFFAOYSA-N 2 1 358.511 3.022 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000650013247 718603700 /nfs/dbraw/zinc/60/37/00/718603700.db2.gz FNAHWLPVMZKFSD-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)C1CCCCC1 ZINC000650013247 718603704 /nfs/dbraw/zinc/60/37/04/718603704.db2.gz FNAHWLPVMZKFSD-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)C1CCCCC1 ZINC000650013247 718603708 /nfs/dbraw/zinc/60/37/08/718603708.db2.gz FNAHWLPVMZKFSD-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706088 718716851 /nfs/dbraw/zinc/71/68/51/718716851.db2.gz CYPJWLKNUDHWSB-JFIYKMOQSA-N 2 1 354.441 3.049 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705608 718717006 /nfs/dbraw/zinc/71/70/06/718717006.db2.gz NSDQFDOPHYXUJQ-DJIMGWMZSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705471 718717045 /nfs/dbraw/zinc/71/70/45/718717045.db2.gz ICAHVLJCADIVBY-USXIJHARSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706373 718717180 /nfs/dbraw/zinc/71/71/80/718717180.db2.gz JMHHCIPJOLMINJ-OUCADQQQSA-N 2 1 359.333 3.229 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708146 718717320 /nfs/dbraw/zinc/71/73/20/718717320.db2.gz UIKRAZRBOYEEEF-XYJFISCASA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000650722690 718720544 /nfs/dbraw/zinc/72/05/44/718720544.db2.gz ZXYGJHPDYBWEGZ-BRWVUGGUSA-N 2 1 353.304 3.310 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723388 718720573 /nfs/dbraw/zinc/72/05/73/718720573.db2.gz NFNCZGRVGRYQNC-BPQIPLTHSA-N 2 1 358.511 3.066 20 0 FGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723543 718720742 /nfs/dbraw/zinc/72/07/42/718720742.db2.gz PUUMGSRRVQWOQF-YXJHDRRASA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723791 718721324 /nfs/dbraw/zinc/72/13/24/718721324.db2.gz UDLFVGMWTCTLRW-KBAYOESNSA-N 2 1 354.441 3.191 20 0 FGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000651666970 718848725 /nfs/dbraw/zinc/84/87/25/718848725.db2.gz UAALMPNSMLGKMA-IAGOWNOFSA-N 2 1 353.576 3.077 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC000652031104 718901911 /nfs/dbraw/zinc/90/19/11/718901911.db2.gz MCHOYUAUPRTDID-SFHVURJKSA-N 2 1 363.571 3.069 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348156 718934799 /nfs/dbraw/zinc/93/47/99/718934799.db2.gz WCZIDYVORULGJF-KVSKMBFKSA-N 2 1 352.906 3.327 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349261 718935357 /nfs/dbraw/zinc/93/53/57/718935357.db2.gz IHUFIZDGMMDCRB-YXJHDRRASA-N 2 1 361.511 3.430 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362551 718936791 /nfs/dbraw/zinc/93/67/91/718936791.db2.gz JOGASRKTJDCWPR-IPELMVKDSA-N 2 1 350.528 3.148 20 0 FGADMP C(C[NH+]1CCC[C@@H](OC2CCC2)C1)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812912 719094550 /nfs/dbraw/zinc/09/45/50/719094550.db2.gz TUUNOWLWVDLJQP-OYRHEFFESA-N 2 1 350.547 3.444 20 0 FGADMP C(C[NH+]1CCC[C@@H](OC2CCC2)C1)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812912 719094555 /nfs/dbraw/zinc/09/45/55/719094555.db2.gz TUUNOWLWVDLJQP-OYRHEFFESA-N 2 1 350.547 3.444 20 0 FGADMP C(C[NH+]1CCC[C@H](OC2CCC2)C1)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812912 719094559 /nfs/dbraw/zinc/09/45/59/719094559.db2.gz TUUNOWLWVDLJQP-OYRHEFFESA-N 2 1 350.547 3.444 20 0 FGADMP C(C[NH+]1CCC[C@H](OC2CCC2)C1)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812912 719094565 /nfs/dbraw/zinc/09/45/65/719094565.db2.gz TUUNOWLWVDLJQP-OYRHEFFESA-N 2 1 350.547 3.444 20 0 FGADMP C(C[NH+]1CCC[C@H](OC2CCC2)C1)C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812913 719094770 /nfs/dbraw/zinc/09/47/70/719094770.db2.gz TUUNOWLWVDLJQP-SFTDATJTSA-N 2 1 350.547 3.444 20 0 FGADMP C(C[NH+]1CCC[C@H](OC2CCC2)C1)C[N@H+]1CCC[C@H](OC2CCC2)C1 ZINC000653812913 719094773 /nfs/dbraw/zinc/09/47/73/719094773.db2.gz TUUNOWLWVDLJQP-SFTDATJTSA-N 2 1 350.547 3.444 20 0 FGADMP Fc1ccc(OCCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655688053 719325891 /nfs/dbraw/zinc/32/58/91/719325891.db2.gz HTCIPTVVIPGQSA-FQEVSTJZSA-N 2 1 350.478 3.218 20 0 FGADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655692369 719326394 /nfs/dbraw/zinc/32/63/94/719326394.db2.gz UYCNEZLLXZZOOE-SFHVURJKSA-N 2 1 356.432 3.481 20 0 FGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655735496 719331562 /nfs/dbraw/zinc/33/15/62/719331562.db2.gz IKDHZFWDYWBMCA-YSSFQJQWSA-N 2 1 350.478 3.135 20 0 FGADMP COCc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000657430835 719648415 /nfs/dbraw/zinc/64/84/15/719648415.db2.gz VFPNDKYUWJJERV-IBGZPJMESA-N 2 1 360.523 3.141 20 0 FGADMP C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658321083 719785457 /nfs/dbraw/zinc/78/54/57/719785457.db2.gz LHKKEGBPIJPCKF-FUHWJXTLSA-N 2 1 352.469 3.427 20 0 FGADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000659312395 719895143 /nfs/dbraw/zinc/89/51/43/719895143.db2.gz XVIGPIJGUXPCBU-MOPGFXCFSA-N 2 1 355.869 3.048 20 0 FGADMP CO[C@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000659863303 719947353 /nfs/dbraw/zinc/94/73/53/719947353.db2.gz HSJYSGLWCQLITO-SVFBPWRDSA-N 2 1 351.579 3.072 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660159450 719999426 /nfs/dbraw/zinc/99/94/26/719999426.db2.gz UJEQETVPKCOMSJ-PMACEKPBSA-N 2 1 353.595 3.035 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000661576780 720279240 /nfs/dbraw/zinc/27/92/40/720279240.db2.gz OWIPZUGXNHUUFO-UHFFFAOYSA-N 2 1 363.303 3.166 20 0 FGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCSc3ccccc3Cl)CC2)C1 ZINC000662157762 720385244 /nfs/dbraw/zinc/38/52/44/720385244.db2.gz QGOSUMYBRYYTKD-MRXNPFEDSA-N 2 1 354.947 3.353 20 0 FGADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCSc3ccccc3Cl)CC2)C1 ZINC000662157762 720385249 /nfs/dbraw/zinc/38/52/49/720385249.db2.gz QGOSUMYBRYYTKD-MRXNPFEDSA-N 2 1 354.947 3.353 20 0 FGADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320865 720415003 /nfs/dbraw/zinc/41/50/03/720415003.db2.gz XFSJWFZYGXFMHF-RHSMWYFYSA-N 2 1 356.432 3.479 20 0 FGADMP CCc1nc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cs1 ZINC000662327335 720415911 /nfs/dbraw/zinc/41/59/11/720415911.db2.gz NUQKKPXAWIVEDL-UHFFFAOYSA-N 2 1 359.543 3.275 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420348 720426555 /nfs/dbraw/zinc/42/65/55/720426555.db2.gz FPFKVPQDFFJVJO-CXAGYDPISA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420348 720426560 /nfs/dbraw/zinc/42/65/60/720426560.db2.gz FPFKVPQDFFJVJO-CXAGYDPISA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@@H](C(=O)NCC[N@H+](C)C1CCCC1)c1cccc(Cl)c1Cl ZINC000662447494 720429473 /nfs/dbraw/zinc/42/94/73/720429473.db2.gz XGQMOQNZBKRBJW-MRXNPFEDSA-N 2 1 358.313 3.245 20 0 FGADMP C[NH2+][C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(Cl)c1Cl ZINC000662447494 720429475 /nfs/dbraw/zinc/42/94/75/720429475.db2.gz XGQMOQNZBKRBJW-MRXNPFEDSA-N 2 1 358.313 3.245 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000662597769 720444772 /nfs/dbraw/zinc/44/47/72/720444772.db2.gz PCQPAGGMTWVIOP-HKUYNNGSSA-N 2 1 363.933 3.181 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001164836280 720542270 /nfs/dbraw/zinc/54/22/70/720542270.db2.gz JJRSIFZKFFEGCN-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164836280 720542280 /nfs/dbraw/zinc/54/22/80/720542280.db2.gz JJRSIFZKFFEGCN-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1 ZINC001164857249 720970644 /nfs/dbraw/zinc/97/06/44/720970644.db2.gz FGCVPRMGOHRCLG-MRXNPFEDSA-N 2 1 357.502 3.487 20 0 FGADMP CCC[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674325762 721687291 /nfs/dbraw/zinc/68/72/91/721687291.db2.gz DTJJASDHINVFSI-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(N)c1 ZINC001164908925 721719155 /nfs/dbraw/zinc/71/91/55/721719155.db2.gz ZMTQVHXSKAEQNI-LJQANCHMSA-N 2 1 373.451 3.105 20 0 FGADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(N)c1 ZINC001164908925 721719161 /nfs/dbraw/zinc/71/91/61/721719161.db2.gz ZMTQVHXSKAEQNI-LJQANCHMSA-N 2 1 373.451 3.105 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842948 721918833 /nfs/dbraw/zinc/91/88/33/721918833.db2.gz OLUSBPSTPITZJG-ZTFGCOKTSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842948 721918835 /nfs/dbraw/zinc/91/88/35/721918835.db2.gz OLUSBPSTPITZJG-ZTFGCOKTSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842948 721918836 /nfs/dbraw/zinc/91/88/36/721918836.db2.gz OLUSBPSTPITZJG-ZTFGCOKTSA-N 2 1 367.896 3.072 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000678080158 721937710 /nfs/dbraw/zinc/93/77/10/721937710.db2.gz QEHILLCJSMUSPY-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn2cc(Br)ccc2n1 ZINC000678080158 721937711 /nfs/dbraw/zinc/93/77/11/721937711.db2.gz QEHILLCJSMUSPY-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678599195 721966753 /nfs/dbraw/zinc/96/67/53/721966753.db2.gz XAGUHUUPAWWBMN-VAMGGRTRSA-N 2 1 350.453 3.310 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000678599196 721966782 /nfs/dbraw/zinc/96/67/82/721966782.db2.gz XAGUHUUPAWWBMN-XUVXKRRUSA-N 2 1 350.453 3.310 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486864 722413115 /nfs/dbraw/zinc/41/31/15/722413115.db2.gz NWJIFFHXSJMTOS-XDNAFOTISA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=S)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731492993 722475941 /nfs/dbraw/zinc/47/59/41/722475941.db2.gz SJRMODRZVDYXGW-SFHVURJKSA-N 2 1 368.635 3.083 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[NH+](CC)CC ZINC000736010261 722521145 /nfs/dbraw/zinc/52/11/45/722521145.db2.gz QHGQHCUUUAHSAX-QGZVFWFLSA-N 2 1 366.937 3.151 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855537 722571870 /nfs/dbraw/zinc/57/18/70/722571870.db2.gz QZHLYXBIPNBPEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855537 722571871 /nfs/dbraw/zinc/57/18/71/722571871.db2.gz QZHLYXBIPNBPEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855537 722571872 /nfs/dbraw/zinc/57/18/72/722571872.db2.gz QZHLYXBIPNBPEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(Br)cc1 ZINC000743855537 722571873 /nfs/dbraw/zinc/57/18/73/722571873.db2.gz QZHLYXBIPNBPEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)cc(C)c1 ZINC000751012610 722790502 /nfs/dbraw/zinc/79/05/02/722790502.db2.gz XQINUZHSFWTHDT-LJQANCHMSA-N 2 1 362.587 3.348 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(F)c1 ZINC000751012736 722790521 /nfs/dbraw/zinc/79/05/21/722790521.db2.gz YFFAETKRBNECGS-QGZVFWFLSA-N 2 1 366.550 3.179 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793330601 723425841 /nfs/dbraw/zinc/42/58/41/723425841.db2.gz JWKGZRVEADMBNL-FUHWJXTLSA-N 2 1 351.535 3.264 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102524 723563249 /nfs/dbraw/zinc/56/32/49/723563249.db2.gz URXVTQAOUMFKCM-KURKYZTESA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102524 723563251 /nfs/dbraw/zinc/56/32/51/723563251.db2.gz URXVTQAOUMFKCM-KURKYZTESA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102524 723563253 /nfs/dbraw/zinc/56/32/53/723563253.db2.gz URXVTQAOUMFKCM-KURKYZTESA-N 2 1 351.535 3.192 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144742 723623550 /nfs/dbraw/zinc/62/35/50/723623550.db2.gz YJPGLTKIBJLKLN-FUHWJXTLSA-N 2 1 356.432 3.342 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144742 723623552 /nfs/dbraw/zinc/62/35/52/723623552.db2.gz YJPGLTKIBJLKLN-FUHWJXTLSA-N 2 1 356.432 3.342 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768233685 723651269 /nfs/dbraw/zinc/65/12/69/723651269.db2.gz OEOCIFGOYKORON-UHFFFAOYSA-N 2 1 353.551 3.440 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000768233685 723651271 /nfs/dbraw/zinc/65/12/71/723651271.db2.gz OEOCIFGOYKORON-UHFFFAOYSA-N 2 1 353.551 3.440 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000796947187 723660499 /nfs/dbraw/zinc/66/04/99/723660499.db2.gz IXFSCVZLNQQOFE-VSZNYVQBSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769233302 723680144 /nfs/dbraw/zinc/68/01/44/723680144.db2.gz QRHJNRQLUBLAPQ-GOSISDBHSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769233302 723680145 /nfs/dbraw/zinc/68/01/45/723680145.db2.gz QRHJNRQLUBLAPQ-GOSISDBHSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)C2)CC1 ZINC000799178122 723995291 /nfs/dbraw/zinc/99/52/91/723995291.db2.gz LTWHMVAZJDDVJH-UHFFFAOYSA-N 2 1 360.889 3.297 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4cc(Cl)ccc4c(=O)[nH]3)C2)CC1 ZINC000799178122 723995293 /nfs/dbraw/zinc/99/52/93/723995293.db2.gz LTWHMVAZJDDVJH-UHFFFAOYSA-N 2 1 360.889 3.297 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1(C)C ZINC000799346950 724015874 /nfs/dbraw/zinc/01/58/74/724015874.db2.gz VLNSULRLHWYZKK-UHFFFAOYSA-N 2 1 361.477 3.414 20 0 FGADMP C[C@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000800373009 724188102 /nfs/dbraw/zinc/18/81/02/724188102.db2.gz GBYVRUFOZCJYFY-DOTOQJQBSA-N 2 1 351.535 3.096 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000778082655 724294727 /nfs/dbraw/zinc/29/47/27/724294727.db2.gz TVXPCDHSYTWEGN-CSNJMZFVSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000801925033 724346496 /nfs/dbraw/zinc/34/64/96/724346496.db2.gz YQVCKAHIJNASOC-KZNAEPCWSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000801925033 724346498 /nfs/dbraw/zinc/34/64/98/724346498.db2.gz YQVCKAHIJNASOC-KZNAEPCWSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925033 724346502 /nfs/dbraw/zinc/34/65/02/724346502.db2.gz YQVCKAHIJNASOC-KZNAEPCWSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925033 724346504 /nfs/dbraw/zinc/34/65/04/724346504.db2.gz YQVCKAHIJNASOC-KZNAEPCWSA-N 2 1 353.551 3.438 20 0 FGADMP C(CCCC[NH+]1CCOCC12CC2)CCCC[N@H+]1CCOCC12CC2 ZINC000801980475 724352626 /nfs/dbraw/zinc/35/26/26/724352626.db2.gz VXKZJNAIDCZPFO-UHFFFAOYSA-N 2 1 350.547 3.447 20 0 FGADMP Cn1nc(Br)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000785419846 724911730 /nfs/dbraw/zinc/91/17/30/724911730.db2.gz NASNLWBEKRSARA-UHFFFAOYSA-N 2 1 363.303 3.068 20 0 FGADMP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)CC1CC[NH+](C)CC1 ZINC000788472914 725066146 /nfs/dbraw/zinc/06/61/46/725066146.db2.gz DNNJHTRTXRASOA-UHFFFAOYSA-N 2 1 357.420 3.096 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788596245 725074628 /nfs/dbraw/zinc/07/46/28/725074628.db2.gz YCLMRUBDJAIGDQ-INIZCTEOSA-N 2 1 351.535 3.096 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)[C@H](C)C1 ZINC000806139318 725117729 /nfs/dbraw/zinc/11/77/29/725117729.db2.gz NUSOADUSPFDRNZ-HYVNUMGLSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(Cl)ccc32)[C@H](C)C1 ZINC000806139318 725117731 /nfs/dbraw/zinc/11/77/31/725117731.db2.gz NUSOADUSPFDRNZ-HYVNUMGLSA-N 2 1 351.922 3.449 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809752448 725264846 /nfs/dbraw/zinc/26/48/46/725264846.db2.gz CLRRIDSQKHXHII-IBGZPJMESA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809752448 725264849 /nfs/dbraw/zinc/26/48/49/725264849.db2.gz CLRRIDSQKHXHII-IBGZPJMESA-N 2 1 350.507 3.161 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000811869689 725383528 /nfs/dbraw/zinc/38/35/28/725383528.db2.gz VSINHBCWQLLQFB-KRWDZBQOSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000813604269 726896740 /nfs/dbraw/zinc/89/67/40/726896740.db2.gz CARPKDLAGKPAPO-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143575 727044704 /nfs/dbraw/zinc/04/47/04/727044704.db2.gz AUYCPEKSEAPRCH-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143575 727044707 /nfs/dbraw/zinc/04/47/07/727044707.db2.gz AUYCPEKSEAPRCH-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143575 727044709 /nfs/dbraw/zinc/04/47/09/727044709.db2.gz AUYCPEKSEAPRCH-HXUWFJFHSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817292637 727237140 /nfs/dbraw/zinc/23/71/40/727237140.db2.gz MKDTYSXHRZJJHT-INMHGKMJSA-N 2 1 350.507 3.063 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@H]1C ZINC000817292637 727237141 /nfs/dbraw/zinc/23/71/41/727237141.db2.gz MKDTYSXHRZJJHT-INMHGKMJSA-N 2 1 350.507 3.063 20 0 FGADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000817984212 727290303 /nfs/dbraw/zinc/29/03/03/727290303.db2.gz OQLIPHKZJSHFDB-INIZCTEOSA-N 2 1 358.917 3.379 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817981970 727290469 /nfs/dbraw/zinc/29/04/69/727290469.db2.gz AKNIPQJXXXMIIA-GRTSSRMGSA-N 2 1 371.356 3.443 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1Cc1nc3ccccn3c1Br)CC[NH2+]CC2 ZINC000818431925 727311371 /nfs/dbraw/zinc/31/13/71/727311371.db2.gz WMVFPNASEAQRNK-ZDUSSCGKSA-N 2 1 363.303 3.061 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3ccccn3c1Br)CC[NH2+]CC2 ZINC000818431925 727311375 /nfs/dbraw/zinc/31/13/75/727311375.db2.gz WMVFPNASEAQRNK-ZDUSSCGKSA-N 2 1 363.303 3.061 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666705 729297398 /nfs/dbraw/zinc/29/73/98/729297398.db2.gz QNVZJOAHEQMZCN-TVFCKZIOSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000824371299 729334283 /nfs/dbraw/zinc/33/42/83/729334283.db2.gz YTILWKZCYJHOPA-XNHLSEOASA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824371299 729334286 /nfs/dbraw/zinc/33/42/86/729334286.db2.gz YTILWKZCYJHOPA-XNHLSEOASA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824371299 729334288 /nfs/dbraw/zinc/33/42/88/729334288.db2.gz YTILWKZCYJHOPA-XNHLSEOASA-N 2 1 353.551 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824991886 729366930 /nfs/dbraw/zinc/36/69/30/729366930.db2.gz ATTDHHXVJFPTDT-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103210 729424310 /nfs/dbraw/zinc/42/43/10/729424310.db2.gz GUILKUUOSWDOMA-DOTOQJQBSA-N 2 1 366.937 3.204 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831510175 729647803 /nfs/dbraw/zinc/64/78/03/729647803.db2.gz IWUHJPWEOIMJOO-YJLNNSPDSA-N 2 1 367.896 3.263 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831510175 729647805 /nfs/dbraw/zinc/64/78/05/729647805.db2.gz IWUHJPWEOIMJOO-YJLNNSPDSA-N 2 1 367.896 3.263 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000834907283 729845229 /nfs/dbraw/zinc/84/52/29/729845229.db2.gz NBMYWARDLDOGPS-ADHGMGHFSA-N 2 1 351.535 3.142 20 0 FGADMP CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835253 730280029 /nfs/dbraw/zinc/28/00/29/730280029.db2.gz MPDZPLFIAWBLHJ-USSHROBNSA-N 2 1 364.559 3.042 20 0 FGADMP CN(C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835252 730280134 /nfs/dbraw/zinc/28/01/34/730280134.db2.gz MPDZPLFIAWBLHJ-MMIPBJDJSA-N 2 1 364.559 3.042 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000842472248 730506614 /nfs/dbraw/zinc/50/66/14/730506614.db2.gz AVWUTANWVYKZOD-MRXNPFEDSA-N 2 1 369.481 3.404 20 0 FGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125724 730588856 /nfs/dbraw/zinc/58/88/56/730588856.db2.gz GIHVWAFHIOGIBK-CABCVRRESA-N 2 1 361.921 3.487 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[N@H+](C)C3CCC([NH3+])CC3)n2)cc1 ZINC000843354619 730610059 /nfs/dbraw/zinc/61/00/59/730610059.db2.gz FLGYCBLQWDPPFB-UHFFFAOYSA-N 2 1 358.511 3.259 20 0 FGADMP [NH3+]CCC[N@@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)CC1CCCC1 ZINC000843385127 730612713 /nfs/dbraw/zinc/61/27/13/730612713.db2.gz ZYHSGLTXVDRASD-UHFFFAOYSA-N 2 1 360.470 3.024 20 0 FGADMP [NH3+]CCC[N@H+](Cc1ccc(S(=O)(=O)C(F)F)cc1)CC1CCCC1 ZINC000843385127 730612714 /nfs/dbraw/zinc/61/27/14/730612714.db2.gz ZYHSGLTXVDRASD-UHFFFAOYSA-N 2 1 360.470 3.024 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+](C)C3CCC([NH3+])CC3)c2)cs1 ZINC000844221418 730693209 /nfs/dbraw/zinc/69/32/09/730693209.db2.gz ZNXYJZXBFJSITO-UHFFFAOYSA-N 2 1 358.511 3.259 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304176 730700543 /nfs/dbraw/zinc/70/05/43/730700543.db2.gz MRBSSCOKGXWYOT-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304176 730700544 /nfs/dbraw/zinc/70/05/44/730700544.db2.gz MRBSSCOKGXWYOT-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304176 730700545 /nfs/dbraw/zinc/70/05/45/730700545.db2.gz MRBSSCOKGXWYOT-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP [NH3+]CCCCCC[NH+]1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 ZINC000846217444 730937415 /nfs/dbraw/zinc/93/74/15/730937415.db2.gz HXHIJDDJOJLLTK-UHFFFAOYSA-N 2 1 351.363 3.023 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000846856406 730988143 /nfs/dbraw/zinc/98/81/43/730988143.db2.gz GCODXDDDDFTNED-RDJZCZTQSA-N 2 1 350.507 3.026 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000846878670 730990387 /nfs/dbraw/zinc/99/03/87/730990387.db2.gz JTZMLEOPXOILTN-KRWDZBQOSA-N 2 1 350.507 3.026 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529044 731175864 /nfs/dbraw/zinc/17/58/64/731175864.db2.gz QRIRFJDVXUVUAO-ROUUACIJSA-N 2 1 373.324 3.260 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NCCc2cccs2)cc1F ZINC000849068581 731225754 /nfs/dbraw/zinc/22/57/54/731225754.db2.gz SYVMAPDVJOEXTB-UHFFFAOYSA-N 2 1 357.458 3.238 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079417 731226615 /nfs/dbraw/zinc/22/66/15/731226615.db2.gz NISZKFBCUFVTSE-XJKSGUPXSA-N 2 1 354.420 3.365 20 0 FGADMP CC[C@@H]1C[C@@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)CCO1 ZINC000849352270 731251731 /nfs/dbraw/zinc/25/17/31/731251731.db2.gz JWPNANARDLFLKF-KNIMUDFMSA-N 2 1 350.478 3.075 20 0 FGADMP Clc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)ccn1 ZINC000852762549 731631624 /nfs/dbraw/zinc/63/16/24/731631624.db2.gz OSZLABUMIIKZQK-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)ccn1 ZINC000852762549 731631626 /nfs/dbraw/zinc/63/16/26/731631626.db2.gz OSZLABUMIIKZQK-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168193 732188426 /nfs/dbraw/zinc/18/84/26/732188426.db2.gz GSNYAGMGSNMVPA-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500239 732220894 /nfs/dbraw/zinc/22/08/94/732220894.db2.gz YZGQURFCVAAJCH-UYTYNIKBSA-N 2 1 351.535 3.237 20 0 FGADMP C[NH2+]CCOCC[N@H+](C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000863552849 732976514 /nfs/dbraw/zinc/97/65/14/732976514.db2.gz XMGODRDEBKCKLP-UHFFFAOYSA-N 2 1 353.919 3.278 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc2ccc(SC)cc2nc1Cl ZINC000863552849 732976517 /nfs/dbraw/zinc/97/65/17/732976517.db2.gz XMGODRDEBKCKLP-UHFFFAOYSA-N 2 1 353.919 3.278 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(Cl)c(F)c3)c2)CCO1 ZINC000865430673 733198809 /nfs/dbraw/zinc/19/88/09/733198809.db2.gz LMOFUDATSPYSPK-CQSZACIVSA-N 2 1 363.864 3.385 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(Cl)c(F)c3)c2)CCO1 ZINC000865430673 733198823 /nfs/dbraw/zinc/19/88/23/733198823.db2.gz LMOFUDATSPYSPK-CQSZACIVSA-N 2 1 363.864 3.385 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449771 733203304 /nfs/dbraw/zinc/20/33/04/733203304.db2.gz FBAQDGAOHUOFPH-HUUCEWRRSA-N 2 1 363.493 3.245 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865525127 733219820 /nfs/dbraw/zinc/21/98/20/733219820.db2.gz TXIHJMAONKPRHK-QGZVFWFLSA-N 2 1 363.864 3.121 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872053791 735582147 /nfs/dbraw/zinc/58/21/47/735582147.db2.gz NDPUMUCOUXOKMM-FUHWJXTLSA-N 2 1 365.315 3.378 20 0 FGADMP Cc1ccc(S(=O)(=O)C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000872146172 735594472 /nfs/dbraw/zinc/59/44/72/735594472.db2.gz HMVPXGPNRJLFIU-UHFFFAOYSA-N 2 1 364.555 3.013 20 0 FGADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCCCC[NH3+])c(Br)c1 ZINC000872155444 735596810 /nfs/dbraw/zinc/59/68/10/735596810.db2.gz RXRKUZSAOVZJDZ-UHFFFAOYSA-N 2 1 356.308 3.147 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877089527 736186182 /nfs/dbraw/zinc/18/61/82/736186182.db2.gz NTULEBWEJUCEBQ-DLBZAZTESA-N 2 1 363.889 3.339 20 0 FGADMP CSC(C)(C)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877518885 736677959 /nfs/dbraw/zinc/67/79/59/736677959.db2.gz WMIZIAMAWUPGDC-HXUWFJFHSA-N 2 1 361.599 3.410 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(SC(F)F)cc3)CC2)CC1 ZINC000877746574 736713475 /nfs/dbraw/zinc/71/34/75/736713475.db2.gz RPZLNUDGHAKZJG-UHFFFAOYSA-N 2 1 355.498 3.213 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000878864086 736927099 /nfs/dbraw/zinc/92/70/99/736927099.db2.gz PMFRGNHKKHRQLN-QGZVFWFLSA-N 2 1 351.535 3.051 20 0 FGADMP Cn1nc2c(c1C[NH2+]C1CC[NH+](CC3CCCCC3)CC1)CSCC2 ZINC000882941530 737504924 /nfs/dbraw/zinc/50/49/24/737504924.db2.gz SQDUOAKHCQUCCF-UHFFFAOYSA-N 2 1 362.587 3.344 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000883192976 737533734 /nfs/dbraw/zinc/53/37/34/737533734.db2.gz LTBSRWPFUUZPTJ-MJQMVNBJSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000883192976 737533741 /nfs/dbraw/zinc/53/37/41/737533741.db2.gz LTBSRWPFUUZPTJ-MJQMVNBJSA-N 2 1 352.544 3.162 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886636083 739277736 /nfs/dbraw/zinc/27/77/36/739277736.db2.gz FWOAIFTYBMEPGV-BZMDMXPQSA-N 2 1 360.567 3.319 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000891597161 739919366 /nfs/dbraw/zinc/91/93/66/739919366.db2.gz LCFPLYAVFWHZGY-WBVHZDCISA-N 2 1 364.559 3.092 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328283 742140804 /nfs/dbraw/zinc/14/08/04/742140804.db2.gz WPJQOLHVXQOXLA-RBUKOAKNSA-N 2 1 350.478 3.250 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000894457375 742285899 /nfs/dbraw/zinc/28/58/99/742285899.db2.gz AKATWQONTCDTOD-CQSZACIVSA-N 2 1 368.319 3.227 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000894457375 742285903 /nfs/dbraw/zinc/28/59/03/742285903.db2.gz AKATWQONTCDTOD-CQSZACIVSA-N 2 1 368.319 3.227 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000894457375 742285905 /nfs/dbraw/zinc/28/59/05/742285905.db2.gz AKATWQONTCDTOD-CQSZACIVSA-N 2 1 368.319 3.227 20 0 FGADMP C[C@H]1C[N@H+](Cc2cnc(CC(F)(F)F)s2)CCN1c1cc[nH+]cc1 ZINC000896002262 742480116 /nfs/dbraw/zinc/48/01/16/742480116.db2.gz LGFXCDXMKGWZRC-LBPRGKRZSA-N 2 1 356.417 3.354 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnc(CC(F)(F)F)s2)CCN1c1cc[nH+]cc1 ZINC000896002262 742480119 /nfs/dbraw/zinc/48/01/19/742480119.db2.gz LGFXCDXMKGWZRC-LBPRGKRZSA-N 2 1 356.417 3.354 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896025112 742483924 /nfs/dbraw/zinc/48/39/24/742483924.db2.gz ZPNXNVONYDAQQB-GOSISDBHSA-N 2 1 361.555 3.355 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903120590 743809374 /nfs/dbraw/zinc/80/93/74/743809374.db2.gz PTBHQFDKZWUXDU-ONQFOCNCSA-N 2 1 354.416 3.486 20 0 FGADMP CC[C@@](O)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074330 743991631 /nfs/dbraw/zinc/99/16/31/743991631.db2.gz GQXYJUYOFFHFGO-DZGCQCFKSA-N 2 1 350.450 3.253 20 0 FGADMP CC[C@@](O)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074330 743991634 /nfs/dbraw/zinc/99/16/34/743991634.db2.gz GQXYJUYOFFHFGO-DZGCQCFKSA-N 2 1 350.450 3.253 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921774718 758793408 /nfs/dbraw/zinc/79/34/08/758793408.db2.gz LLUJXXCEKNPYQP-IRXDYDNUSA-N 2 1 350.507 3.255 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386202 758909390 /nfs/dbraw/zinc/90/93/90/758909390.db2.gz DHAHSJZKSZQMLX-RRCSTGOVSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390073 758910607 /nfs/dbraw/zinc/91/06/07/758910607.db2.gz XEKMQWTZGUCNLP-BRSBDYLESA-N 2 1 367.331 3.018 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@H]1C(C)C ZINC000922393591 758912424 /nfs/dbraw/zinc/91/24/24/758912424.db2.gz MCDQQGLWNYCZES-NCXUSEDFSA-N 2 1 356.432 3.063 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391402 759110230 /nfs/dbraw/zinc/11/02/30/759110230.db2.gz FEMXULDOYJNZIR-ZSGPHXLJSA-N 2 1 373.324 3.388 20 0 FGADMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc(Cc3ccccc3)n1)CC2 ZINC000923450438 759120651 /nfs/dbraw/zinc/12/06/51/759120651.db2.gz HILRIGYPUGUORH-GOSISDBHSA-N 2 1 357.523 3.064 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c1 ZINC000923499501 759131912 /nfs/dbraw/zinc/13/19/12/759131912.db2.gz RQXMHXHEACRJGW-BBRMVZONSA-N 2 1 359.495 3.013 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c1 ZINC000923499502 759132154 /nfs/dbraw/zinc/13/21/54/759132154.db2.gz RQXMHXHEACRJGW-CJNGLKHVSA-N 2 1 359.495 3.013 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508094 759135177 /nfs/dbraw/zinc/13/51/77/759135177.db2.gz UDPXXYFCSARLJJ-WMZOPIPTSA-N 2 1 364.555 3.253 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779968 759535509 /nfs/dbraw/zinc/53/55/09/759535509.db2.gz CNIQNNGGGBPDBA-SMDDNHRTSA-N 2 1 352.454 3.409 20 0 FGADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925802865 759545349 /nfs/dbraw/zinc/54/53/49/759545349.db2.gz SBTADFJVHVXDAP-HZPDHXFCSA-N 2 1 352.404 3.293 20 0 FGADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925802863 759545748 /nfs/dbraw/zinc/54/57/48/759545748.db2.gz SBTADFJVHVXDAP-CVEARBPZSA-N 2 1 352.404 3.293 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879520 759837019 /nfs/dbraw/zinc/83/70/19/759837019.db2.gz LJLXLLZRMRGDGK-WUOIFLIFSA-N 2 1 363.933 3.182 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926915712 759847979 /nfs/dbraw/zinc/84/79/79/759847979.db2.gz LTYCOPNZYQVUBL-QZWWFDLISA-N 2 1 366.468 3.213 20 0 FGADMP C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000927119288 759898585 /nfs/dbraw/zinc/89/85/85/759898585.db2.gz YZXOJVCUTVTFDK-CQSZACIVSA-N 2 1 361.511 3.007 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000930001831 760509287 /nfs/dbraw/zinc/50/92/87/760509287.db2.gz WZFWANIRMFOQSF-XWTMOSNGSA-N 2 1 353.551 3.342 20 0 FGADMP CCC(CC)[NH2+]CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000930030412 760515045 /nfs/dbraw/zinc/51/50/45/760515045.db2.gz CMOXUPPDOJXROG-UHFFFAOYSA-N 2 1 364.559 3.135 20 0 FGADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557652 760641339 /nfs/dbraw/zinc/64/13/39/760641339.db2.gz HYBGQQTWMXZWFN-JQHSSLGASA-N 2 1 354.416 3.196 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557652 760641346 /nfs/dbraw/zinc/64/13/46/760641346.db2.gz HYBGQQTWMXZWFN-JQHSSLGASA-N 2 1 354.416 3.196 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557652 760641356 /nfs/dbraw/zinc/64/13/56/760641356.db2.gz HYBGQQTWMXZWFN-JQHSSLGASA-N 2 1 354.416 3.196 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557652 760641362 /nfs/dbraw/zinc/64/13/62/760641362.db2.gz HYBGQQTWMXZWFN-JQHSSLGASA-N 2 1 354.416 3.196 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433559 760861261 /nfs/dbraw/zinc/86/12/61/760861261.db2.gz DGTSJQOILKDUSV-HZSPNIEDSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433559 760861275 /nfs/dbraw/zinc/86/12/75/760861275.db2.gz DGTSJQOILKDUSV-HZSPNIEDSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433559 760861285 /nfs/dbraw/zinc/86/12/85/760861285.db2.gz DGTSJQOILKDUSV-HZSPNIEDSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433559 760861294 /nfs/dbraw/zinc/86/12/94/760861294.db2.gz DGTSJQOILKDUSV-HZSPNIEDSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2sccc2Cl)CC[N@@H+]1C ZINC000960639397 762736890 /nfs/dbraw/zinc/73/68/90/762736890.db2.gz BFUNTTJLZSVJRB-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2sccc2Cl)CC[N@H+]1C ZINC000960639397 762736892 /nfs/dbraw/zinc/73/68/92/762736892.db2.gz BFUNTTJLZSVJRB-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000960639397 762736894 /nfs/dbraw/zinc/73/68/94/762736894.db2.gz BFUNTTJLZSVJRB-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000960639397 762736897 /nfs/dbraw/zinc/73/68/97/762736897.db2.gz BFUNTTJLZSVJRB-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000999200002 765145623 /nfs/dbraw/zinc/14/56/23/765145623.db2.gz KAJHCHSVLPYZHP-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(Cl)cc3C)C2)CC[N@H+]1C ZINC001014507877 765787101 /nfs/dbraw/zinc/78/71/01/765787101.db2.gz LPKHKXRWERDJAC-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(Cl)cc3C)C2)CC[NH+]1C ZINC001014507877 765787104 /nfs/dbraw/zinc/78/71/04/765787104.db2.gz LPKHKXRWERDJAC-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3C)C2)CC[NH+]1C ZINC001014507877 765787108 /nfs/dbraw/zinc/78/71/08/765787108.db2.gz LPKHKXRWERDJAC-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022103488 765973516 /nfs/dbraw/zinc/97/35/16/765973516.db2.gz HYDVALXSNCMSPH-SFKBXODTSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001022107419 765974322 /nfs/dbraw/zinc/97/43/22/765974322.db2.gz XCCSCBIWSWCQSJ-RBPQIDMKSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001028552124 766124617 /nfs/dbraw/zinc/12/46/17/766124617.db2.gz HIJQKOOPVZPWLH-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001028552124 766124626 /nfs/dbraw/zinc/12/46/26/766124626.db2.gz HIJQKOOPVZPWLH-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001028552124 766124633 /nfs/dbraw/zinc/12/46/33/766124633.db2.gz HIJQKOOPVZPWLH-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001031683854 766183792 /nfs/dbraw/zinc/18/37/92/766183792.db2.gz AMVKLOCYEUPOGW-ZOCIIQOWSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001031683854 766183801 /nfs/dbraw/zinc/18/38/01/766183801.db2.gz AMVKLOCYEUPOGW-ZOCIIQOWSA-N 2 1 363.933 3.179 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000573645657 505586016 /nfs/dbraw/zinc/58/60/16/505586016.db2.gz JNBHHSPPJRCMDX-RTBURBONSA-N 2 1 360.542 3.394 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000567987110 505590551 /nfs/dbraw/zinc/59/05/51/505590551.db2.gz QMVKYSXQPRRSMX-TZIWHRDSSA-N 2 1 371.550 3.452 20 0 FGADMP CN(c1ccccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049427 505603822 /nfs/dbraw/zinc/60/38/22/505603822.db2.gz AQPBHSXZQSOGDN-HSZRJFAPSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CC[NH+](C)CC1 ZINC000568049427 505603823 /nfs/dbraw/zinc/60/38/23/505603823.db2.gz AQPBHSXZQSOGDN-HSZRJFAPSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)C1CC[NH+](C)CC1 ZINC000568049427 505603824 /nfs/dbraw/zinc/60/38/24/505603824.db2.gz AQPBHSXZQSOGDN-HSZRJFAPSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049427 505603825 /nfs/dbraw/zinc/60/38/25/505603825.db2.gz AQPBHSXZQSOGDN-HSZRJFAPSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CC[NH+](C)CC1 ZINC000568049427 505603826 /nfs/dbraw/zinc/60/38/26/505603826.db2.gz AQPBHSXZQSOGDN-HSZRJFAPSA-N 3 1 370.585 3.135 20 0 FGADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000568050918 505604024 /nfs/dbraw/zinc/60/40/24/505604024.db2.gz NBHZTTYOXABLQA-GTNSWQLSSA-N 2 1 353.919 3.393 20 0 FGADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccc2c(c1)C[NH2+]C2 ZINC000570960375 505621419 /nfs/dbraw/zinc/62/14/19/505621419.db2.gz PZLFJGVZBKTTFZ-UHFFFAOYSA-N 2 1 356.495 3.375 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000568259583 505654862 /nfs/dbraw/zinc/65/48/62/505654862.db2.gz FEXXXLPLYFNVTI-ICSRJNTNSA-N 2 1 369.509 3.140 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577108557 505665888 /nfs/dbraw/zinc/66/58/88/505665888.db2.gz XWIIBKIMCODDIE-LJQANCHMSA-N 2 1 360.590 3.427 20 0 FGADMP CCCN(CC)C[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000577108557 505665891 /nfs/dbraw/zinc/66/58/91/505665891.db2.gz XWIIBKIMCODDIE-LJQANCHMSA-N 2 1 360.590 3.427 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573980778 505666352 /nfs/dbraw/zinc/66/63/52/505666352.db2.gz ZBNRHEPSPXASPR-UXHICEINSA-N 2 1 367.493 3.055 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nnc(C5CC5)o4)C3)CC2)cc1 ZINC000580060878 505671942 /nfs/dbraw/zinc/67/19/42/505671942.db2.gz PTSZWHIUYFLRHJ-UHFFFAOYSA-N 2 1 352.482 3.435 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nnc(C5CC5)o4)C3)CC2)cc1 ZINC000580060878 505671946 /nfs/dbraw/zinc/67/19/46/505671946.db2.gz PTSZWHIUYFLRHJ-UHFFFAOYSA-N 2 1 352.482 3.435 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083217 505674265 /nfs/dbraw/zinc/67/42/65/505674265.db2.gz KTBJCURVHTYQJN-CTNGQTDRSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083217 505674272 /nfs/dbraw/zinc/67/42/72/505674272.db2.gz KTBJCURVHTYQJN-CTNGQTDRSA-N 2 1 368.525 3.027 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000047968450 493767148 /nfs/dbraw/zinc/76/71/48/493767148.db2.gz RKYPUCAEXZWQEG-MRXNPFEDSA-N 2 1 363.933 3.325 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081333737 493873654 /nfs/dbraw/zinc/87/36/54/493873654.db2.gz LTCLVLOXUPNNRT-LEWJYISDSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060335613 493923302 /nfs/dbraw/zinc/92/33/02/493923302.db2.gz DLHWEWHTSZXNFR-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060335613 493923304 /nfs/dbraw/zinc/92/33/04/493923304.db2.gz DLHWEWHTSZXNFR-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2o1 ZINC000081635653 493934042 /nfs/dbraw/zinc/93/40/42/493934042.db2.gz NACVOZOKFMGEMU-QGZVFWFLSA-N 2 1 356.466 3.383 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc2o1 ZINC000081635653 493934044 /nfs/dbraw/zinc/93/40/44/493934044.db2.gz NACVOZOKFMGEMU-QGZVFWFLSA-N 2 1 356.466 3.383 20 0 FGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc2o1 ZINC000081635653 493934046 /nfs/dbraw/zinc/93/40/46/493934046.db2.gz NACVOZOKFMGEMU-QGZVFWFLSA-N 2 1 356.466 3.383 20 0 FGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc2o1 ZINC000081635653 493934049 /nfs/dbraw/zinc/93/40/49/493934049.db2.gz NACVOZOKFMGEMU-QGZVFWFLSA-N 2 1 356.466 3.383 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000081654509 493938628 /nfs/dbraw/zinc/93/86/28/493938628.db2.gz DDFLRHGCYPQEOH-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081654509 493938632 /nfs/dbraw/zinc/93/86/32/493938632.db2.gz DDFLRHGCYPQEOH-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081654509 493938635 /nfs/dbraw/zinc/93/86/35/493938635.db2.gz DDFLRHGCYPQEOH-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3c(n2)CCC3)[C@H](c2ccccc2)C1 ZINC000580165071 505692996 /nfs/dbraw/zinc/69/29/96/505692996.db2.gz UBPGROTUOGDODK-QHCPKHFHSA-N 2 1 364.537 3.039 20 0 FGADMP Clc1cccc(Cl)c1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957379 493994468 /nfs/dbraw/zinc/99/44/68/493994468.db2.gz RATXFGNQFCGIDX-UHFFFAOYSA-N 2 1 373.324 3.416 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCC[N@H+](C(C)C)CC2)CC1 ZINC000069766610 494008877 /nfs/dbraw/zinc/00/88/77/494008877.db2.gz OZTYFILTAHRSQK-UHFFFAOYSA-N 2 1 372.557 3.085 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000052559844 494040138 /nfs/dbraw/zinc/04/01/38/494040138.db2.gz IWYXDZWJGXBLOB-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000052559844 494040139 /nfs/dbraw/zinc/04/01/39/494040139.db2.gz IWYXDZWJGXBLOB-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](Cc1ccccc1CNC(=O)N[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000052559844 494040144 /nfs/dbraw/zinc/04/01/44/494040144.db2.gz IWYXDZWJGXBLOB-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295145 505700846 /nfs/dbraw/zinc/70/08/46/505700846.db2.gz PTXXUFOJMHYANS-CXAGYDPISA-N 2 1 352.404 3.262 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295145 505700850 /nfs/dbraw/zinc/70/08/50/505700850.db2.gz PTXXUFOJMHYANS-CXAGYDPISA-N 2 1 352.404 3.262 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000077644951 494131216 /nfs/dbraw/zinc/13/12/16/494131216.db2.gz LSOLXSRXCXSETJ-LJQANCHMSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000077644951 494131219 /nfs/dbraw/zinc/13/12/19/494131219.db2.gz LSOLXSRXCXSETJ-LJQANCHMSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000077644951 494131221 /nfs/dbraw/zinc/13/12/21/494131221.db2.gz LSOLXSRXCXSETJ-LJQANCHMSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000086393908 494151469 /nfs/dbraw/zinc/15/14/69/494151469.db2.gz KSGBKIVXKDOFML-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000086393908 494151473 /nfs/dbraw/zinc/15/14/73/494151473.db2.gz KSGBKIVXKDOFML-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000054509978 494242020 /nfs/dbraw/zinc/24/20/20/494242020.db2.gz DDLIGDJJIOQXJY-OAQYLSRUSA-N 2 1 372.557 3.204 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066187964 494285675 /nfs/dbraw/zinc/28/56/75/494285675.db2.gz RAOVEMBGTNTGQY-HDICACEKSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000073104926 494322749 /nfs/dbraw/zinc/32/27/49/494322749.db2.gz RVMFUOCFLZISSQ-UHFFFAOYSA-N 2 1 372.557 3.329 20 0 FGADMP CC[C@H](c1ccccc1)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568432 494357018 /nfs/dbraw/zinc/35/70/18/494357018.db2.gz RUKXYSIHQADASR-OAQYLSRUSA-N 2 1 357.542 3.404 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000090003353 494425271 /nfs/dbraw/zinc/42/52/71/494425271.db2.gz VCAALHKDZAIPBE-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000090003353 494425275 /nfs/dbraw/zinc/42/52/75/494425275.db2.gz VCAALHKDZAIPBE-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(=O)NCC(F)(F)F ZINC000079303714 494433567 /nfs/dbraw/zinc/43/35/67/494433567.db2.gz AEHJIOBGJZHYCO-GJZGRUSLSA-N 2 1 371.447 3.075 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2cccs2)CC1 ZINC000066960888 494446497 /nfs/dbraw/zinc/44/64/97/494446497.db2.gz SQQPFMORHQBGCA-INIZCTEOSA-N 2 1 351.560 3.197 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000090585903 494484387 /nfs/dbraw/zinc/48/43/87/494484387.db2.gz FZTXDPKCEJXGJP-IRXDYDNUSA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000090585903 494484388 /nfs/dbraw/zinc/48/43/88/494484388.db2.gz FZTXDPKCEJXGJP-IRXDYDNUSA-N 2 1 352.544 3.109 20 0 FGADMP O[C@H]1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000090914209 494503602 /nfs/dbraw/zinc/50/36/02/494503602.db2.gz BHZVYALTZFRRTD-PKTZIBPZSA-N 2 1 371.569 3.009 20 0 FGADMP O[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000090914209 494503607 /nfs/dbraw/zinc/50/36/07/494503607.db2.gz BHZVYALTZFRRTD-PKTZIBPZSA-N 2 1 371.569 3.009 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249908 494503861 /nfs/dbraw/zinc/50/38/61/494503861.db2.gz TUCHEROKCVMJQS-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000056522360 494520212 /nfs/dbraw/zinc/52/02/12/494520212.db2.gz UCJHELBDQRSDDY-UHFFFAOYSA-N 2 1 357.420 3.308 20 0 FGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447603 494539319 /nfs/dbraw/zinc/53/93/19/494539319.db2.gz KSTZNSXOJXYQQR-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067570991 494570495 /nfs/dbraw/zinc/57/04/95/494570495.db2.gz LSZQNCSSZPOQGU-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000080055567 494577666 /nfs/dbraw/zinc/57/76/66/494577666.db2.gz SHLIEIQVHQUJBG-PZJWPPBQSA-N 2 1 374.573 3.458 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000091306414 494579535 /nfs/dbraw/zinc/57/95/35/494579535.db2.gz HFVYGJAGHHFAMD-SFHVURJKSA-N 2 1 367.331 3.337 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000067773240 494643383 /nfs/dbraw/zinc/64/33/83/494643383.db2.gz POCLACBOANKHFD-LJQANCHMSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000126227332 494679410 /nfs/dbraw/zinc/67/94/10/494679410.db2.gz AIIWOGCXTIQBQM-UHFFFAOYSA-N 2 1 355.486 3.258 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000092587810 494679690 /nfs/dbraw/zinc/67/96/90/494679690.db2.gz XYZXMDFSJXUJPN-HXUWFJFHSA-N 2 1 353.514 3.211 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000092587810 494679696 /nfs/dbraw/zinc/67/96/96/494679696.db2.gz XYZXMDFSJXUJPN-HXUWFJFHSA-N 2 1 353.514 3.211 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000568608525 505735593 /nfs/dbraw/zinc/73/55/93/505735593.db2.gz DLYUKVOIVNGIPG-WBVHZDCISA-N 2 1 364.559 3.092 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000577481923 505737099 /nfs/dbraw/zinc/73/70/99/505737099.db2.gz KPIZKXOPJNIKDC-IBGZPJMESA-N 2 1 367.497 3.413 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000080496502 494719970 /nfs/dbraw/zinc/71/99/70/494719970.db2.gz HTXCKSRQKUJNAS-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000080496502 494719981 /nfs/dbraw/zinc/71/99/81/494719981.db2.gz HTXCKSRQKUJNAS-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP Cc1cc(C)cc(OCCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000116399715 494773132 /nfs/dbraw/zinc/77/31/32/494773132.db2.gz QPJHGRBKDXMQRP-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cc(C)cc(OCCC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000116399715 494773140 /nfs/dbraw/zinc/77/31/40/494773140.db2.gz QPJHGRBKDXMQRP-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070478 494778287 /nfs/dbraw/zinc/77/82/87/494778287.db2.gz DLTXJJYWPXJMBA-FQEVSTJZSA-N 2 1 355.530 3.148 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070478 494778292 /nfs/dbraw/zinc/77/82/92/494778292.db2.gz DLTXJJYWPXJMBA-FQEVSTJZSA-N 2 1 355.530 3.148 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000092070478 494778298 /nfs/dbraw/zinc/77/82/98/494778298.db2.gz DLTXJJYWPXJMBA-FQEVSTJZSA-N 2 1 355.530 3.148 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000080729059 494778464 /nfs/dbraw/zinc/77/84/64/494778464.db2.gz ZQJJVVBHWKHSIA-UHFFFAOYSA-N 2 1 354.583 3.257 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131957119 494784699 /nfs/dbraw/zinc/78/46/99/494784699.db2.gz YKFIXURDBOHBKK-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCCO2 ZINC000126664561 494814705 /nfs/dbraw/zinc/81/47/05/494814705.db2.gz IYOVGROIYWHBAP-IBGZPJMESA-N 2 1 365.949 3.479 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(C)cc4)o3)C2)CC1 ZINC000093133258 494829909 /nfs/dbraw/zinc/82/99/09/494829909.db2.gz IQOGSNSEEPVPOS-HXUWFJFHSA-N 2 1 353.510 3.467 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)C2)CC1 ZINC000093132991 494830455 /nfs/dbraw/zinc/83/04/55/494830455.db2.gz CRWBVVVWJSNQOQ-INIZCTEOSA-N 2 1 362.568 3.083 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(c2cccnn2)CC1 ZINC000093150626 494835915 /nfs/dbraw/zinc/83/59/15/494835915.db2.gz JQMRAXJSYKCEEN-UHFFFAOYSA-N 2 1 367.541 3.147 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(c2cccnn2)CC1 ZINC000093150626 494835920 /nfs/dbraw/zinc/83/59/20/494835920.db2.gz JQMRAXJSYKCEEN-UHFFFAOYSA-N 2 1 367.541 3.147 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCN(c2cccnn2)CC1 ZINC000093150626 494835922 /nfs/dbraw/zinc/83/59/22/494835922.db2.gz JQMRAXJSYKCEEN-UHFFFAOYSA-N 2 1 367.541 3.147 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCN(c2cccnn2)CC1 ZINC000093150626 494835926 /nfs/dbraw/zinc/83/59/26/494835926.db2.gz JQMRAXJSYKCEEN-UHFFFAOYSA-N 2 1 367.541 3.147 20 0 FGADMP CC(C)C[C@H]1COCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093340198 494873734 /nfs/dbraw/zinc/87/37/34/494873734.db2.gz BNXRRTAWSZYWQH-NRFANRHFSA-N 2 1 359.558 3.464 20 0 FGADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000122131840 494929213 /nfs/dbraw/zinc/92/92/13/494929213.db2.gz QUESMYGXIZZPRE-ROUUACIJSA-N 2 1 352.544 3.093 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132913526 494942124 /nfs/dbraw/zinc/94/21/24/494942124.db2.gz RHQYQXQTKPZZKF-HSZRJFAPSA-N 2 1 372.601 3.427 20 0 FGADMP CCC[N@@H+](CCCn1ccnc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000127435699 494943933 /nfs/dbraw/zinc/94/39/33/494943933.db2.gz XIGTZACNNFWREX-UHFFFAOYSA-N 2 1 370.545 3.369 20 0 FGADMP CCC[N@H+](CCCn1cc[nH+]c1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000127435699 494943935 /nfs/dbraw/zinc/94/39/35/494943935.db2.gz XIGTZACNNFWREX-UHFFFAOYSA-N 2 1 370.545 3.369 20 0 FGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000127435699 494943937 /nfs/dbraw/zinc/94/39/37/494943937.db2.gz XIGTZACNNFWREX-UHFFFAOYSA-N 3 1 370.545 3.369 20 0 FGADMP C[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Br)cc3)CC2)CC1 ZINC000127485047 494951424 /nfs/dbraw/zinc/95/14/24/494951424.db2.gz SAYRQKFHKBCYIT-UHFFFAOYSA-N 2 1 366.347 3.097 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000118030547 494971933 /nfs/dbraw/zinc/97/19/33/494971933.db2.gz VUMSURXAUGAYBB-QZTJIDSGSA-N 2 1 374.529 3.076 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568388 505754270 /nfs/dbraw/zinc/75/42/70/505754270.db2.gz RDNRXVXFDDIIPH-QGTPRVQTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568388 505754271 /nfs/dbraw/zinc/75/42/71/505754271.db2.gz RDNRXVXFDDIIPH-QGTPRVQTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568388 505754272 /nfs/dbraw/zinc/75/42/72/505754272.db2.gz RDNRXVXFDDIIPH-QGTPRVQTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568388 505754273 /nfs/dbraw/zinc/75/42/73/505754273.db2.gz RDNRXVXFDDIIPH-QGTPRVQTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(N(C)C(=O)c3ccncc3)cc2)CC1 ZINC000133389023 495008769 /nfs/dbraw/zinc/00/87/69/495008769.db2.gz XTNTXQYRHMAHPT-UHFFFAOYSA-N 2 1 366.509 3.321 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000571533820 505756423 /nfs/dbraw/zinc/75/64/23/505756423.db2.gz FGSXJLIHSANVFM-MRXNPFEDSA-N 2 1 367.331 3.007 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000097175771 495027635 /nfs/dbraw/zinc/02/76/35/495027635.db2.gz IEZBXKQFNDLSPU-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000097175771 495027638 /nfs/dbraw/zinc/02/76/38/495027638.db2.gz IEZBXKQFNDLSPU-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000097175771 495027640 /nfs/dbraw/zinc/02/76/40/495027640.db2.gz IEZBXKQFNDLSPU-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000118868074 495051040 /nfs/dbraw/zinc/05/10/40/495051040.db2.gz RLJIYXBMBRPBPL-UHFFFAOYSA-N 2 1 368.319 3.051 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000123037870 495071399 /nfs/dbraw/zinc/07/13/99/495071399.db2.gz UJEMXPCXDXQGEL-OALUTQOASA-N 2 1 352.526 3.225 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000111611986 495090412 /nfs/dbraw/zinc/09/04/12/495090412.db2.gz JGERSMHFWKRSNY-FJIDUMEYSA-N 2 1 359.514 3.280 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000123213159 495097203 /nfs/dbraw/zinc/09/72/03/495097203.db2.gz JDIFRVLQIIVSEA-UHFFFAOYSA-N 2 1 372.538 3.412 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000571535593 505757269 /nfs/dbraw/zinc/75/72/69/505757269.db2.gz RNNGTSNBFSLPSO-UHFFFAOYSA-N 2 1 367.537 3.431 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633476 495163439 /nfs/dbraw/zinc/16/34/39/495163439.db2.gz BCEHNENLPBYUSN-WEYGHZABSA-N 2 1 354.494 3.371 20 0 FGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410304 505766989 /nfs/dbraw/zinc/76/69/89/505766989.db2.gz FXWPQKKCTXMBSL-SWLSCSKDSA-N 2 1 361.287 3.218 20 0 FGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410304 505766993 /nfs/dbraw/zinc/76/69/93/505766993.db2.gz FXWPQKKCTXMBSL-SWLSCSKDSA-N 2 1 361.287 3.218 20 0 FGADMP COc1ccc2c(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861430 495211275 /nfs/dbraw/zinc/21/12/75/495211275.db2.gz JEKUCIRXRKPWPC-FOIQADDNSA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861430 495211278 /nfs/dbraw/zinc/21/12/78/495211278.db2.gz JEKUCIRXRKPWPC-FOIQADDNSA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861430 495211280 /nfs/dbraw/zinc/21/12/80/495211280.db2.gz JEKUCIRXRKPWPC-FOIQADDNSA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861430 495211283 /nfs/dbraw/zinc/21/12/83/495211283.db2.gz JEKUCIRXRKPWPC-FOIQADDNSA-N 2 1 368.477 3.250 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119705462 495222137 /nfs/dbraw/zinc/22/21/37/495222137.db2.gz CKXQBZVOMAHINE-OAHLLOKOSA-N 2 1 363.933 3.293 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112749881 495236285 /nfs/dbraw/zinc/23/62/85/495236285.db2.gz NZTPKQUPUMEMMB-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)CC(C)C ZINC000112915247 495256603 /nfs/dbraw/zinc/25/66/03/495256603.db2.gz ICMYZESAEPFMGR-HXUWFJFHSA-N 2 1 374.573 3.479 20 0 FGADMP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967520 495279205 /nfs/dbraw/zinc/27/92/05/495279205.db2.gz OEMXTDXDARIEKW-TZIWHRDSSA-N 2 1 357.542 3.230 20 0 FGADMP CSc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000124392113 495280118 /nfs/dbraw/zinc/28/01/18/495280118.db2.gz DAVKPDCZWMZUKX-OAHLLOKOSA-N 2 1 353.551 3.472 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000120068270 495300096 /nfs/dbraw/zinc/30/00/96/495300096.db2.gz GNRYTYQYVNVDHG-XVAXZDLZSA-N 2 1 372.557 3.071 20 0 FGADMP CCn1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000124572151 495309661 /nfs/dbraw/zinc/30/96/61/495309661.db2.gz PFHARKOCGOXPET-FGTMMUONSA-N 2 1 356.514 3.363 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105113327 495337940 /nfs/dbraw/zinc/33/79/40/495337940.db2.gz CMEHUFCPIDZTNU-SFHVURJKSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452637 505777006 /nfs/dbraw/zinc/77/70/06/505777006.db2.gz GTFDRTFNGCUREY-KURKYZTESA-N 2 1 373.566 3.225 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C(C)C ZINC000124988712 495375008 /nfs/dbraw/zinc/37/50/08/495375008.db2.gz TXUSAPVJFYATPV-UHFFFAOYSA-N 2 1 352.567 3.059 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000130354058 495378434 /nfs/dbraw/zinc/37/84/34/495378434.db2.gz YQYHHBMLVJSCQJ-NRFANRHFSA-N 2 1 360.448 3.295 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000130360146 495380045 /nfs/dbraw/zinc/38/00/45/495380045.db2.gz WWCXFZYEYAPKSW-GOSISDBHSA-N 2 1 362.543 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1cccs1)C(C)(C)C ZINC000130360146 495380047 /nfs/dbraw/zinc/38/00/47/495380047.db2.gz WWCXFZYEYAPKSW-GOSISDBHSA-N 2 1 362.543 3.479 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000136574468 495388127 /nfs/dbraw/zinc/38/81/27/495388127.db2.gz HAQJISBJNMJODU-RTWAWAEBSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000125086744 495388441 /nfs/dbraw/zinc/38/84/41/495388441.db2.gz VEQDQYVEGKQTLW-RTBURBONSA-N 3 1 362.562 3.183 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326634 495426990 /nfs/dbraw/zinc/42/69/90/495426990.db2.gz SILJVOLGSNXUBW-GGAORHGYSA-N 3 1 372.601 3.217 20 0 FGADMP CCN1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326634 495426991 /nfs/dbraw/zinc/42/69/91/495426991.db2.gz SILJVOLGSNXUBW-GGAORHGYSA-N 2 1 372.601 3.217 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000130738334 495437800 /nfs/dbraw/zinc/43/78/00/495437800.db2.gz LJSLIOMMYJUSBT-OALUTQOASA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000130738334 495437805 /nfs/dbraw/zinc/43/78/05/495437805.db2.gz LJSLIOMMYJUSBT-OALUTQOASA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000130738334 495437809 /nfs/dbraw/zinc/43/78/09/495437809.db2.gz LJSLIOMMYJUSBT-OALUTQOASA-N 2 1 364.578 3.013 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137588609 495446329 /nfs/dbraw/zinc/44/63/29/495446329.db2.gz FPKZUGLUGLXSNO-OAHLLOKOSA-N 2 1 369.431 3.452 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138120031 495455058 /nfs/dbraw/zinc/45/50/58/495455058.db2.gz FQUGFIRAXFLLQZ-LMDPOFIKSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554535 495468446 /nfs/dbraw/zinc/46/84/46/495468446.db2.gz MWSOCOQUWYZZBB-MJGOQNOKSA-N 2 1 374.529 3.041 20 0 FGADMP [NH3+]CC1(CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000577748736 505784981 /nfs/dbraw/zinc/78/49/81/505784981.db2.gz ODTFKUOYPJZXFY-UHFFFAOYSA-N 2 1 370.324 3.203 20 0 FGADMP Cc1sc2nc([C@H](C)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)nc(N)c2c1C ZINC000140023764 495487035 /nfs/dbraw/zinc/48/70/35/495487035.db2.gz ITDMPWZVAYNHHQ-NWANDNLSSA-N 2 1 359.543 3.367 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176264097 495569137 /nfs/dbraw/zinc/56/91/37/495569137.db2.gz LLDPWCNVCBJFSH-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP Clc1ccccc1CN1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000158764362 495584080 /nfs/dbraw/zinc/58/40/80/495584080.db2.gz GBLKZQLPBYTQJI-UHFFFAOYSA-N 3 1 365.949 3.006 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772806 495586499 /nfs/dbraw/zinc/58/64/99/495586499.db2.gz HITLBRSBWUIGKS-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772806 495586503 /nfs/dbraw/zinc/58/65/03/495586503.db2.gz HITLBRSBWUIGKS-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772806 495586509 /nfs/dbraw/zinc/58/65/09/495586509.db2.gz HITLBRSBWUIGKS-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772806 495586513 /nfs/dbraw/zinc/58/65/13/495586513.db2.gz HITLBRSBWUIGKS-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@@H]21 ZINC000158772806 495586521 /nfs/dbraw/zinc/58/65/21/495586521.db2.gz HITLBRSBWUIGKS-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@@H](c3cccs3)C(C)(C)C)CC[C@H]21 ZINC000158871648 495606292 /nfs/dbraw/zinc/60/62/92/495606292.db2.gz ZLRDVTANSLGBBP-MDZRGWNJSA-N 2 1 363.571 3.368 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000154414900 495609087 /nfs/dbraw/zinc/60/90/87/495609087.db2.gz UEKBDGTYJGJVIM-KRWDZBQOSA-N 2 1 366.303 3.400 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000154414900 495609088 /nfs/dbraw/zinc/60/90/88/495609088.db2.gz UEKBDGTYJGJVIM-KRWDZBQOSA-N 2 1 366.303 3.400 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000158909803 495613841 /nfs/dbraw/zinc/61/38/41/495613841.db2.gz FIDCVMPMNFEIPD-GCJKJVERSA-N 2 1 353.510 3.492 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182575368 495622664 /nfs/dbraw/zinc/62/26/64/495622664.db2.gz PTWXBUUHRQSWDT-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1 ZINC000159022386 495639302 /nfs/dbraw/zinc/63/93/02/495639302.db2.gz UEGDMWVYNQKXBA-GOSISDBHSA-N 2 1 361.530 3.215 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1 ZINC000159022386 495639306 /nfs/dbraw/zinc/63/93/06/495639306.db2.gz UEGDMWVYNQKXBA-GOSISDBHSA-N 2 1 361.530 3.215 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154531848 495644754 /nfs/dbraw/zinc/64/47/54/495644754.db2.gz FKEDSLITWYCXRX-INIZCTEOSA-N 2 1 353.938 3.417 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185669808 495670866 /nfs/dbraw/zinc/67/08/66/495670866.db2.gz IUEHZYLLXOVBEZ-TXPKVOOTSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185669808 495670868 /nfs/dbraw/zinc/67/08/68/495670868.db2.gz IUEHZYLLXOVBEZ-TXPKVOOTSA-N 2 1 371.525 3.459 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000173823428 495708232 /nfs/dbraw/zinc/70/82/32/495708232.db2.gz KGSCAEBYXFHCET-SQNIBIBYSA-N 2 1 364.559 3.009 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766315 495717320 /nfs/dbraw/zinc/71/73/20/495717320.db2.gz HWFLYORZGUOIAF-BQFCYCMXSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766315 495717326 /nfs/dbraw/zinc/71/73/26/495717326.db2.gz HWFLYORZGUOIAF-BQFCYCMXSA-N 2 1 371.525 3.459 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630964 505801745 /nfs/dbraw/zinc/80/17/45/505801745.db2.gz QKBJZEMCRZVTHD-VQIMIIECSA-N 2 1 364.493 3.322 20 0 FGADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173950564 495759307 /nfs/dbraw/zinc/75/93/07/495759307.db2.gz XMVAETZFUZLXKH-UHFFFAOYSA-N 2 1 373.541 3.325 20 0 FGADMP Cc1ccc(NC(=O)CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173976113 495772118 /nfs/dbraw/zinc/77/21/18/495772118.db2.gz WKTARHPXWIEGQE-FQEVSTJZSA-N 2 1 351.494 3.387 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000577846772 505803265 /nfs/dbraw/zinc/80/32/65/505803265.db2.gz ZIBWPFOJGITETD-UXLLHSPISA-N 2 1 351.560 3.271 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000577847180 505804278 /nfs/dbraw/zinc/80/42/78/505804278.db2.gz ZSZDVIOSQMDUFZ-BJLQDIEVSA-N 2 1 363.933 3.139 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000151389495 495825321 /nfs/dbraw/zinc/82/53/21/495825321.db2.gz NVJJBOUNXBBDKP-UHFFFAOYSA-N 3 1 358.574 3.181 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139533 495851105 /nfs/dbraw/zinc/85/11/05/495851105.db2.gz JBKLOUHWICZRSH-XPWALMASSA-N 2 1 369.553 3.135 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2C)cc1 ZINC000183139444 495851180 /nfs/dbraw/zinc/85/11/80/495851180.db2.gz BFSPLGXPNRHHDH-KRWDZBQOSA-N 2 1 362.477 3.456 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)N1CCSCC1 ZINC000151491197 495856725 /nfs/dbraw/zinc/85/67/25/495856725.db2.gz XJBMPBKEBYTDRU-DLBZAZTESA-N 2 1 361.555 3.437 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000174207448 495863811 /nfs/dbraw/zinc/86/38/11/495863811.db2.gz VGJXFHVAISBRAB-ZWOKBUDYSA-N 2 1 368.949 3.442 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000174207448 495863818 /nfs/dbraw/zinc/86/38/18/495863818.db2.gz VGJXFHVAISBRAB-ZWOKBUDYSA-N 2 1 368.949 3.442 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000177026141 495888676 /nfs/dbraw/zinc/88/86/76/495888676.db2.gz HHGIPXTWNNTVDK-LJQANCHMSA-N 2 1 369.475 3.350 20 0 FGADMP C[C@@H](CCC1CC1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000186260749 495918766 /nfs/dbraw/zinc/91/87/66/495918766.db2.gz BTKWTTGFBKXHQG-KRWDZBQOSA-N 2 1 359.514 3.016 20 0 FGADMP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183341143 495939102 /nfs/dbraw/zinc/93/91/02/495939102.db2.gz QSZRVWZMVLVSJR-JXFKEZNVSA-N 2 1 372.513 3.009 20 0 FGADMP Cc1ccc2c(c1)OCCC[C@@H]2NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151775673 495942707 /nfs/dbraw/zinc/94/27/07/495942707.db2.gz RQFZCMJNUSUZHC-IRLDBZIGSA-N 2 1 366.505 3.218 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571781335 505813967 /nfs/dbraw/zinc/81/39/67/505813967.db2.gz MPTFFTSJELRKMS-XFIJJGBISA-N 2 1 357.542 3.322 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000571781335 505813969 /nfs/dbraw/zinc/81/39/69/505813969.db2.gz MPTFFTSJELRKMS-XFIJJGBISA-N 2 1 357.542 3.322 20 0 FGADMP CC(C)c1nc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cs1 ZINC000186410482 495986998 /nfs/dbraw/zinc/98/69/98/495986998.db2.gz BOFBKRJPTNRJAE-HNNXBMFYSA-N 2 1 374.554 3.409 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000571815888 505820302 /nfs/dbraw/zinc/82/03/02/505820302.db2.gz MAQUVXASWYIAHD-JCGIZDLHSA-N 2 1 351.922 3.131 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000571815888 505820305 /nfs/dbraw/zinc/82/03/05/505820305.db2.gz MAQUVXASWYIAHD-JCGIZDLHSA-N 2 1 351.922 3.131 20 0 FGADMP Cc1cccc2nc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cn21 ZINC000177490061 496083830 /nfs/dbraw/zinc/08/38/30/496083830.db2.gz ODQADQSKUYNTQZ-RTBURBONSA-N 2 1 370.541 3.354 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4n3C)CC2)C[C@H](C)O1 ZINC000177500424 496087981 /nfs/dbraw/zinc/08/79/81/496087981.db2.gz KNFMSUKBYPGHIQ-ROUUACIJSA-N 2 1 370.541 3.285 20 0 FGADMP COc1ccc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000171909527 496088841 /nfs/dbraw/zinc/08/88/41/496088841.db2.gz VQJVUPANDJAYLT-UHFFFAOYSA-N 2 1 353.510 3.062 20 0 FGADMP Cc1c([C@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367654 496129052 /nfs/dbraw/zinc/12/90/52/496129052.db2.gz BUBIHEYTDNNRLP-ZFWWWQNUSA-N 2 1 359.905 3.364 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000177621715 496135946 /nfs/dbraw/zinc/13/59/46/496135946.db2.gz FMBIRSYAFBMERJ-TZIWHRDSSA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000177621715 496135951 /nfs/dbraw/zinc/13/59/51/496135951.db2.gz FMBIRSYAFBMERJ-TZIWHRDSSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000177621715 496135956 /nfs/dbraw/zinc/13/59/56/496135956.db2.gz FMBIRSYAFBMERJ-TZIWHRDSSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](c2ccccc2)C1 ZINC000177621715 496135958 /nfs/dbraw/zinc/13/59/58/496135958.db2.gz FMBIRSYAFBMERJ-TZIWHRDSSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000174903675 496157966 /nfs/dbraw/zinc/15/79/66/496157966.db2.gz LLLRMWDFUARWOQ-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000174903675 496157971 /nfs/dbraw/zinc/15/79/71/496157971.db2.gz LLLRMWDFUARWOQ-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156164248 496174437 /nfs/dbraw/zinc/17/44/37/496174437.db2.gz OEVFUIYVFMSOJF-QZTJIDSGSA-N 3 1 358.530 3.222 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156164248 496174444 /nfs/dbraw/zinc/17/44/44/496174444.db2.gz OEVFUIYVFMSOJF-QZTJIDSGSA-N 3 1 358.530 3.222 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000156393703 496233582 /nfs/dbraw/zinc/23/35/82/496233582.db2.gz SCOBRKBBAWDJEU-OAQYLSRUSA-N 2 1 374.573 3.306 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)[nH+]c1 ZINC000172265297 496235599 /nfs/dbraw/zinc/23/55/99/496235599.db2.gz ZBQFPZKZERKKHL-SFHVURJKSA-N 2 1 360.546 3.089 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000178007186 496284150 /nfs/dbraw/zinc/28/41/50/496284150.db2.gz YGSUJCILAPENII-YJBOKZPZSA-N 2 1 357.523 3.296 20 0 FGADMP COC(=O)c1ccccc1CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101921 496293863 /nfs/dbraw/zinc/29/38/63/496293863.db2.gz VQKDUZZFHVDPQS-FQEVSTJZSA-N 2 1 366.505 3.470 20 0 FGADMP COC(=O)c1ccccc1CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187101921 496293866 /nfs/dbraw/zinc/29/38/66/496293866.db2.gz VQKDUZZFHVDPQS-FQEVSTJZSA-N 2 1 366.505 3.470 20 0 FGADMP COC(=O)c1ccccc1CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187101921 496293867 /nfs/dbraw/zinc/29/38/67/496293867.db2.gz VQKDUZZFHVDPQS-FQEVSTJZSA-N 2 1 366.505 3.470 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000175417722 496383012 /nfs/dbraw/zinc/38/30/12/496383012.db2.gz ICLDGKLXGCOGJN-QZTJIDSGSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175417722 496383018 /nfs/dbraw/zinc/38/30/18/496383018.db2.gz ICLDGKLXGCOGJN-QZTJIDSGSA-N 2 1 371.529 3.037 20 0 FGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[NH+]1CCCCC1 ZINC000184502556 496414410 /nfs/dbraw/zinc/41/44/10/496414410.db2.gz BUMUHPRBYZHBEL-GJZGRUSLSA-N 2 1 356.507 3.144 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181518467 496429878 /nfs/dbraw/zinc/42/98/78/496429878.db2.gz OQLOBCVGXFALBK-ZDUSSCGKSA-N 2 1 356.308 3.075 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522109 496485869 /nfs/dbraw/zinc/48/58/69/496485869.db2.gz BFQOCSWSRYYGTH-SUMWQHHRSA-N 2 1 367.331 3.434 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000574750337 505847491 /nfs/dbraw/zinc/84/74/91/505847491.db2.gz OXUKERNCBWLJPD-WAOWUJCRSA-N 2 1 374.550 3.469 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)c1 ZINC000574750337 505847494 /nfs/dbraw/zinc/84/74/94/505847494.db2.gz OXUKERNCBWLJPD-WAOWUJCRSA-N 2 1 374.550 3.469 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000184744996 496516203 /nfs/dbraw/zinc/51/62/03/496516203.db2.gz ZGZXUQVWLNKSNL-RTBURBONSA-N 2 1 365.521 3.396 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000181740736 496524762 /nfs/dbraw/zinc/52/47/62/496524762.db2.gz SZVGLMKRWQCPLR-OALUTQOASA-N 2 1 361.530 3.441 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@@H+](CC(C)C)C3)CC2)[nH+]c1 ZINC000178646924 496528373 /nfs/dbraw/zinc/52/83/73/496528373.db2.gz LCXNEVIKAJYXBU-LJQANCHMSA-N 2 1 372.557 3.091 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NC[C@H]3CCC[N@H+](CC(C)C)C3)CC2)[nH+]c1 ZINC000178646924 496528381 /nfs/dbraw/zinc/52/83/81/496528381.db2.gz LCXNEVIKAJYXBU-LJQANCHMSA-N 2 1 372.557 3.091 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732366 496540561 /nfs/dbraw/zinc/54/05/61/496540561.db2.gz STWNRKNNTKHQDT-FQEVSTJZSA-N 2 1 358.530 3.055 20 0 FGADMP C[C@H](CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000184844570 496554052 /nfs/dbraw/zinc/55/40/52/496554052.db2.gz MOUJSFBHVYUQDB-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP CCCN1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000163926224 496570811 /nfs/dbraw/zinc/57/08/11/496570811.db2.gz IBMMBKVMXHWPTN-UHFFFAOYSA-N 2 1 372.601 3.048 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000164264367 496599341 /nfs/dbraw/zinc/59/93/41/496599341.db2.gz JXOQMYHSRFIRHI-OAHLLOKOSA-N 2 1 365.543 3.116 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000158013604 496609077 /nfs/dbraw/zinc/60/90/77/496609077.db2.gz VJUGHGSZYDOKFO-SJORKVTESA-N 2 1 366.575 3.018 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158100203 496627895 /nfs/dbraw/zinc/62/78/95/496627895.db2.gz ZHIOMLWLAQWWCU-UONOGXRCSA-N 2 1 368.319 3.098 20 0 FGADMP Cc1ccc(C)c(OCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000153981013 496643874 /nfs/dbraw/zinc/64/38/74/496643874.db2.gz RXBNHYVMQZBEKA-OYRHEFFESA-N 2 1 359.558 3.173 20 0 FGADMP Cc1ccc(C)c(OCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000153981013 496643876 /nfs/dbraw/zinc/64/38/76/496643876.db2.gz RXBNHYVMQZBEKA-OYRHEFFESA-N 2 1 359.558 3.173 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000182107781 496671589 /nfs/dbraw/zinc/67/15/89/496671589.db2.gz AGSGFORHWGVTLT-MSOLQXFVSA-N 2 1 357.523 3.304 20 0 FGADMP COc1ccc([C@@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969123 496674342 /nfs/dbraw/zinc/67/43/42/496674342.db2.gz FFEJLGMDGBTYBZ-KCZVDYSFSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969123 496674347 /nfs/dbraw/zinc/67/43/47/496674347.db2.gz FFEJLGMDGBTYBZ-KCZVDYSFSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969123 496674353 /nfs/dbraw/zinc/67/43/53/496674353.db2.gz FFEJLGMDGBTYBZ-KCZVDYSFSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000173405619 496678818 /nfs/dbraw/zinc/67/88/18/496678818.db2.gz AUHZBCNFQLSWCW-RHSMWYFYSA-N 2 1 355.320 3.337 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166343077 496684567 /nfs/dbraw/zinc/68/45/67/496684567.db2.gz PRQKYXAOBLFQNG-SPYBWZPUSA-N 2 1 359.514 3.436 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173428373 496688370 /nfs/dbraw/zinc/68/83/70/496688370.db2.gz NUSNKCQUQCNNCH-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000168556027 496710601 /nfs/dbraw/zinc/71/06/01/496710601.db2.gz VYYDJYRRZFXGDM-CQSZACIVSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176166212 496710713 /nfs/dbraw/zinc/71/07/13/496710713.db2.gz OBVVGYFJSBEDGI-GOSISDBHSA-N 2 1 364.578 3.347 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1 ZINC000185231641 496711873 /nfs/dbraw/zinc/71/18/73/496711873.db2.gz HFGOGIMVUAPSGE-UHFFFAOYSA-N 2 1 355.417 3.059 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182296452 496727161 /nfs/dbraw/zinc/72/71/61/496727161.db2.gz SISIBORJMFXIJB-OYRHEFFESA-N 2 1 359.558 3.084 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(O)c1 ZINC000194847193 496734120 /nfs/dbraw/zinc/73/41/20/496734120.db2.gz OCSPEMRDEAJQHJ-XMSQKQJNSA-N 2 1 353.510 3.422 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779109 496782714 /nfs/dbraw/zinc/78/27/14/496782714.db2.gz OZXLWELXHALSFP-FFZOFVMBSA-N 2 1 354.498 3.277 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779109 496782717 /nfs/dbraw/zinc/78/27/17/496782717.db2.gz OZXLWELXHALSFP-FFZOFVMBSA-N 2 1 354.498 3.277 20 0 FGADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000268786930 496785711 /nfs/dbraw/zinc/78/57/11/496785711.db2.gz VYHRUINUVQQZEV-CQSZACIVSA-N 2 1 374.497 3.454 20 0 FGADMP COc1ccc([C@H]2C[C@@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503203 496787426 /nfs/dbraw/zinc/78/74/26/496787426.db2.gz BWMYKQZIFKNIFO-CTNGQTDRSA-N 2 1 359.558 3.289 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191508072 496790068 /nfs/dbraw/zinc/79/00/68/496790068.db2.gz HCBMGJJZUMGWCU-SFHVURJKSA-N 2 1 350.528 3.323 20 0 FGADMP Cc1ccc(C)c([C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H](C)CO2)c1 ZINC000191512744 496792008 /nfs/dbraw/zinc/79/20/08/496792008.db2.gz OONIMEJUGNAGKP-FYYLOGMGSA-N 2 1 373.585 3.481 20 0 FGADMP COc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268825283 496796949 /nfs/dbraw/zinc/79/69/49/496796949.db2.gz YSWUMGWQPNYHPR-NRFANRHFSA-N 2 1 372.484 3.164 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247247032 496815906 /nfs/dbraw/zinc/81/59/06/496815906.db2.gz PXSGGUYLASFOMK-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000247247032 496815912 /nfs/dbraw/zinc/81/59/12/496815912.db2.gz PXSGGUYLASFOMK-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000247247032 496815918 /nfs/dbraw/zinc/81/59/18/496815918.db2.gz PXSGGUYLASFOMK-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250340 496816572 /nfs/dbraw/zinc/81/65/72/496816572.db2.gz UKNXLLQJHDYGFA-LAUBAEHRSA-N 2 1 369.509 3.372 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250340 496816577 /nfs/dbraw/zinc/81/65/77/496816577.db2.gz UKNXLLQJHDYGFA-LAUBAEHRSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000247250340 496816589 /nfs/dbraw/zinc/81/65/89/496816589.db2.gz UKNXLLQJHDYGFA-LAUBAEHRSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247398505 496851178 /nfs/dbraw/zinc/85/11/78/496851178.db2.gz RDALGCVXFLAXPH-QKNQBKEWSA-N 2 1 374.573 3.411 20 0 FGADMP OC1CC[NH+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000277687331 496853416 /nfs/dbraw/zinc/85/34/16/496853416.db2.gz VMRSJCLXULFYIK-UHFFFAOYSA-N 2 1 367.331 3.132 20 0 FGADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000247450399 496861115 /nfs/dbraw/zinc/86/11/15/496861115.db2.gz ZELBZDMANBQXNA-SJORKVTESA-N 2 1 370.497 3.101 20 0 FGADMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000247450399 496861116 /nfs/dbraw/zinc/86/11/16/496861116.db2.gz ZELBZDMANBQXNA-SJORKVTESA-N 2 1 370.497 3.101 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264312645 496869999 /nfs/dbraw/zinc/86/99/99/496869999.db2.gz NZXBNFKMWVSQLU-OAQYLSRUSA-N 2 1 365.521 3.043 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247687274 496905529 /nfs/dbraw/zinc/90/55/29/496905529.db2.gz VGJXFHVAISBRAB-FUHIMQAGSA-N 2 1 368.949 3.442 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247687274 496905533 /nfs/dbraw/zinc/90/55/33/496905533.db2.gz VGJXFHVAISBRAB-FUHIMQAGSA-N 2 1 368.949 3.442 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000188970740 496963699 /nfs/dbraw/zinc/96/36/99/496963699.db2.gz BKFCIPYXMITMGE-UHFFFAOYSA-N 2 1 371.569 3.405 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)CCCn1cc[nH+]c1C ZINC000269531548 496966257 /nfs/dbraw/zinc/96/62/57/496966257.db2.gz YSMPHKRUQKFFBN-UHFFFAOYSA-N 2 1 371.529 3.265 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000216525752 496989208 /nfs/dbraw/zinc/98/92/08/496989208.db2.gz MQQDJFAXUOFGKZ-LJQANCHMSA-N 2 1 359.901 3.191 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000216525752 496989213 /nfs/dbraw/zinc/98/92/13/496989213.db2.gz MQQDJFAXUOFGKZ-LJQANCHMSA-N 2 1 359.901 3.191 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248397630 496994292 /nfs/dbraw/zinc/99/42/92/496994292.db2.gz IFWTZSLJNIIYLZ-BHDDXSALSA-N 2 1 352.526 3.243 20 0 FGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000574917381 505882858 /nfs/dbraw/zinc/88/28/58/505882858.db2.gz UWDUZZVGBIDOET-HMFYCAOWSA-N 2 1 365.521 3.481 20 0 FGADMP c1c(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc2n1CCS2 ZINC000274432723 497096980 /nfs/dbraw/zinc/09/69/80/497096980.db2.gz WBOFHUZSWNXKFS-DFQSSKMNSA-N 2 1 368.550 3.032 20 0 FGADMP CC(C)N1CCC[C@H]([N@@H+](C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1=O ZINC000248787459 497104294 /nfs/dbraw/zinc/10/42/94/497104294.db2.gz WTUKFLTVEVLQOW-NRSPTQNISA-N 2 1 357.542 3.371 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1(C)C ZINC000248873715 497122278 /nfs/dbraw/zinc/12/22/78/497122278.db2.gz QVMQPKHDMIKSLX-PCCBWWKXSA-N 2 1 360.542 3.325 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]CCCc2c(F)cccc2Cl)CC1 ZINC000278571744 497156197 /nfs/dbraw/zinc/15/61/97/497156197.db2.gz CUNQSFBFHLKPIL-UHFFFAOYSA-N 2 1 355.929 3.419 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192582464 497156338 /nfs/dbraw/zinc/15/63/38/497156338.db2.gz KSKLUITWIFSOGF-AVRDEDQJSA-N 2 1 369.553 3.372 20 0 FGADMP O=C(c1ccc(Cn2ccnc2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265720189 497168408 /nfs/dbraw/zinc/16/84/08/497168408.db2.gz LIJUBLDSHULGGQ-UHFFFAOYSA-N 2 1 352.482 3.022 20 0 FGADMP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274889973 497191762 /nfs/dbraw/zinc/19/17/62/497191762.db2.gz JFQCWHRHYAOOIH-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000237123844 497194972 /nfs/dbraw/zinc/19/49/72/497194972.db2.gz PIKGCQYPVUWSAT-MBOZVWFJSA-N 2 1 357.523 3.337 20 0 FGADMP CC[C@]1(CO)CCC[NH+](CCCCC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000249549877 497219888 /nfs/dbraw/zinc/21/98/88/497219888.db2.gz HOMAUEJSXMHTON-SFTDATJTSA-N 2 1 354.579 3.126 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237343432 497222843 /nfs/dbraw/zinc/22/28/43/497222843.db2.gz ZNKVJGPEDPEMLN-GCJKJVERSA-N 2 1 365.521 3.247 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237343480 497222942 /nfs/dbraw/zinc/22/29/42/497222942.db2.gz GSYXDERYZLQDGF-UTKZUKDTSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237399127 497231289 /nfs/dbraw/zinc/23/12/89/497231289.db2.gz WMPYOIXGSBICLW-UTKZUKDTSA-N 2 1 367.493 3.499 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC[C@H]3CCCO3)CC2)c1C ZINC000189802163 497249378 /nfs/dbraw/zinc/24/93/78/497249378.db2.gz YFAZAYSUYWWUKZ-LJQANCHMSA-N 2 1 361.530 3.172 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC[C@H]3CCCO3)CC2)c1C ZINC000189802163 497249385 /nfs/dbraw/zinc/24/93/85/497249385.db2.gz YFAZAYSUYWWUKZ-LJQANCHMSA-N 2 1 361.530 3.172 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278871408 497250166 /nfs/dbraw/zinc/25/01/66/497250166.db2.gz WZQXWRZQCVGUDI-OQEHDIDLSA-N 2 1 369.553 3.419 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237520122 497250451 /nfs/dbraw/zinc/25/04/51/497250451.db2.gz GSYXDERYZLQDGF-UWJYYQICSA-N 2 1 351.494 3.377 20 0 FGADMP c1[nH+]c(C2CC[NH+](Cc3cccc4c3OCCO4)CC2)n2c1CCCC2 ZINC000278908683 497263837 /nfs/dbraw/zinc/26/38/37/497263837.db2.gz QETWUMKARDWUOT-UHFFFAOYSA-N 2 1 353.466 3.370 20 0 FGADMP C[C@H]1C[NH+](Cc2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2)C[C@H](C)O1 ZINC000237627678 497265463 /nfs/dbraw/zinc/26/54/63/497265463.db2.gz JEOWGGFKDVUYLL-ROUUACIJSA-N 2 1 373.541 3.077 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)C1 ZINC000251673161 497281265 /nfs/dbraw/zinc/28/12/65/497281265.db2.gz MEBFNELFJLEVQT-RXVVDRJESA-N 2 1 372.557 3.012 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237914587 497314034 /nfs/dbraw/zinc/31/40/34/497314034.db2.gz OMQNIPLXERYIBK-WMLDXEAASA-N 2 1 370.324 3.201 20 0 FGADMP [NH3+][C@@H](CCC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000237934408 497316210 /nfs/dbraw/zinc/31/62/10/497316210.db2.gz GWQWTCASMSREDI-NRFANRHFSA-N 2 1 351.494 3.031 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000237969308 497321442 /nfs/dbraw/zinc/32/14/42/497321442.db2.gz CBKWTBNYJBGXMO-YADHBBJMSA-N 2 1 363.505 3.135 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000578264460 505899977 /nfs/dbraw/zinc/89/99/77/505899977.db2.gz WPDMZELWEJISBJ-HZPDHXFCSA-N 2 1 352.544 3.147 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000275513121 497349189 /nfs/dbraw/zinc/34/91/89/497349189.db2.gz KNHDNWQCQXIVIC-CABCVRRESA-N 2 1 360.889 3.414 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@@H](C)C1 ZINC000271455735 497353575 /nfs/dbraw/zinc/35/35/75/497353575.db2.gz JEISOAWYHUSSBI-WMZOPIPTSA-N 2 1 350.503 3.018 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000255961340 497381905 /nfs/dbraw/zinc/38/19/05/497381905.db2.gz XNAXYLJFVZWENL-UYAOXDASSA-N 2 1 351.579 3.467 20 0 FGADMP O=C(NC1CC1)c1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000193466820 497386972 /nfs/dbraw/zinc/38/69/72/497386972.db2.gz VHHFINMYNKHIJT-UHFFFAOYSA-N 2 1 355.526 3.419 20 0 FGADMP O=C(NC1CC1)c1ccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000193466820 497386978 /nfs/dbraw/zinc/38/69/78/497386978.db2.gz VHHFINMYNKHIJT-UHFFFAOYSA-N 2 1 355.526 3.419 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccn1 ZINC000575007556 505904060 /nfs/dbraw/zinc/90/40/60/505904060.db2.gz FAACFFQGSJHXMG-GHTZIAJQSA-N 2 1 368.525 3.120 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245426863 497399622 /nfs/dbraw/zinc/39/96/22/497399622.db2.gz LQKVLJAIWBWACX-CTNGQTDRSA-N 2 1 359.558 3.396 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266742613 497410573 /nfs/dbraw/zinc/41/05/73/497410573.db2.gz ONQNOFFBCDVXNI-IBGZPJMESA-N 2 1 373.541 3.207 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728541 497415428 /nfs/dbraw/zinc/41/54/28/497415428.db2.gz ZOTCEWDBMAQDMQ-HZEGPAAWSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728541 497415432 /nfs/dbraw/zinc/41/54/32/497415432.db2.gz ZOTCEWDBMAQDMQ-HZEGPAAWSA-N 2 1 368.525 3.283 20 0 FGADMP CCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC1CC1 ZINC000193605180 497425523 /nfs/dbraw/zinc/42/55/23/497425523.db2.gz DFVUOSDDPCJGBK-UHFFFAOYSA-N 2 1 357.542 3.198 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261653898 497427501 /nfs/dbraw/zinc/42/75/01/497427501.db2.gz JWQCNHVQIRVGIH-PBHICJAKSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261653898 497427505 /nfs/dbraw/zinc/42/75/05/497427505.db2.gz JWQCNHVQIRVGIH-PBHICJAKSA-N 2 1 370.324 3.074 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(CCOc3ccccc3Br)CC[C@H]21 ZINC000245512947 497436485 /nfs/dbraw/zinc/43/64/85/497436485.db2.gz BLSWXNLJXFANJM-GOEBONIOSA-N 2 1 353.304 3.244 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261772482 497448066 /nfs/dbraw/zinc/44/80/66/497448066.db2.gz XAZQDBXMWRGOEU-XJKSGUPXSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261772482 497448069 /nfs/dbraw/zinc/44/80/69/497448069.db2.gz XAZQDBXMWRGOEU-XJKSGUPXSA-N 2 1 370.324 3.074 20 0 FGADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000190436144 497479573 /nfs/dbraw/zinc/47/95/73/497479573.db2.gz QXTDZARMWLLYGT-SFTDATJTSA-N 2 1 368.525 3.377 20 0 FGADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OCc1c(C)noc1C ZINC000271909902 497485905 /nfs/dbraw/zinc/48/59/05/497485905.db2.gz RXABJSURJFEPNJ-UHFFFAOYSA-N 2 1 371.481 3.231 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245652605 497489363 /nfs/dbraw/zinc/48/93/63/497489363.db2.gz CAWAJPFEYCRROI-SOLBZPMBSA-N 2 1 366.575 3.161 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000193831723 497495254 /nfs/dbraw/zinc/49/52/54/497495254.db2.gz FGHSFBDZMXTUNZ-UHFFFAOYSA-N 2 1 366.594 3.403 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245680734 497499889 /nfs/dbraw/zinc/49/98/89/497499889.db2.gz IUFROUYUABRAKG-KJJMTIBFSA-N 3 1 359.558 3.128 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245680734 497499891 /nfs/dbraw/zinc/49/98/91/497499891.db2.gz IUFROUYUABRAKG-KJJMTIBFSA-N 2 1 359.558 3.128 20 0 FGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262117918 497510327 /nfs/dbraw/zinc/51/03/27/497510327.db2.gz BRWAOLHPEJPGAE-KFKAGJAMSA-N 2 1 363.933 3.371 20 0 FGADMP Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000193889858 497512251 /nfs/dbraw/zinc/51/22/51/497512251.db2.gz FDLIMPBVXOSNDC-UHFFFAOYSA-N 2 1 363.933 3.025 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000262348261 497543270 /nfs/dbraw/zinc/54/32/70/497543270.db2.gz IEKZMJYOZMEHRY-UHFFFAOYSA-N 2 1 369.494 3.265 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)cc1 ZINC000262403771 497550300 /nfs/dbraw/zinc/55/03/00/497550300.db2.gz PURISNVABHJQTL-FYINFDKHSA-N 2 1 352.482 3.138 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206564 497563960 /nfs/dbraw/zinc/56/39/60/497563960.db2.gz PLQPETLNVDZCHW-XLIONFOSSA-N 2 1 372.534 3.090 20 0 FGADMP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245967189 497586879 /nfs/dbraw/zinc/58/68/79/497586879.db2.gz NOMRAYUNUJGPTQ-QRVBRYPASA-N 2 1 356.514 3.061 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246053892 497605848 /nfs/dbraw/zinc/60/58/48/497605848.db2.gz CIRXHBDXBJZFKY-IAGOWNOFSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246053892 497605853 /nfs/dbraw/zinc/60/58/53/497605853.db2.gz CIRXHBDXBJZFKY-IAGOWNOFSA-N 2 1 369.513 3.273 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000246146825 497637760 /nfs/dbraw/zinc/63/77/60/497637760.db2.gz JZCRVDMBUVNADG-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000267936056 497641739 /nfs/dbraw/zinc/64/17/39/497641739.db2.gz OGKQRGJFVYDMIT-HNNXBMFYSA-N 2 1 369.490 3.435 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCCC[C@H]1C)CC2 ZINC000246183333 497650892 /nfs/dbraw/zinc/65/08/92/497650892.db2.gz LXKTUHOMZWBNJY-AQNXPRMDSA-N 2 1 364.578 3.298 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000246183333 497650896 /nfs/dbraw/zinc/65/08/96/497650896.db2.gz LXKTUHOMZWBNJY-AQNXPRMDSA-N 2 1 364.578 3.298 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@H+]1CCCC[C@H]1C)CC2 ZINC000246183333 497650900 /nfs/dbraw/zinc/65/09/00/497650900.db2.gz LXKTUHOMZWBNJY-AQNXPRMDSA-N 2 1 364.578 3.298 20 0 FGADMP C[C@@H](NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272550640 497659280 /nfs/dbraw/zinc/65/92/80/497659280.db2.gz FENQLWKXDRZVPL-IFMALSPDSA-N 2 1 371.569 3.132 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262961452 497667232 /nfs/dbraw/zinc/66/72/32/497667232.db2.gz KTAZRVHQKVODQK-NRFANRHFSA-N 2 1 371.569 3.355 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC000246297783 497687330 /nfs/dbraw/zinc/68/73/30/497687330.db2.gz CTSNZVBIQOUZKU-GDIGMMSISA-N 2 1 350.478 3.253 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)[NH+](C)C)cc1 ZINC000246315041 497694032 /nfs/dbraw/zinc/69/40/32/497694032.db2.gz BOJUBRVKZALGFH-QMMLZNLJSA-N 2 1 374.573 3.223 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272695298 497704417 /nfs/dbraw/zinc/70/44/17/497704417.db2.gz XPXJXPKWYYMKLA-MJGOQNOKSA-N 2 1 359.514 3.108 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246367172 497710024 /nfs/dbraw/zinc/71/00/24/497710024.db2.gz LHLYEDDGIPZLGW-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000246367172 497710026 /nfs/dbraw/zinc/71/00/26/497710026.db2.gz LHLYEDDGIPZLGW-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000246367172 497710028 /nfs/dbraw/zinc/71/00/28/497710028.db2.gz LHLYEDDGIPZLGW-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000246380726 497714305 /nfs/dbraw/zinc/71/43/05/497714305.db2.gz HPDCILBTUXGVRD-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000272743654 497717773 /nfs/dbraw/zinc/71/77/73/497717773.db2.gz RJZKFLZVCQCJST-KRWDZBQOSA-N 2 1 374.529 3.179 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246397971 497720580 /nfs/dbraw/zinc/72/05/80/497720580.db2.gz JTRWKLKAUBCCDC-DYXWJJEUSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246397971 497720586 /nfs/dbraw/zinc/72/05/86/497720586.db2.gz JTRWKLKAUBCCDC-DYXWJJEUSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000246397971 497720593 /nfs/dbraw/zinc/72/05/93/497720593.db2.gz JTRWKLKAUBCCDC-DYXWJJEUSA-N 2 1 374.573 3.269 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432738 497731781 /nfs/dbraw/zinc/73/17/81/497731781.db2.gz MTTVVBYDNGVZKK-TYPHKJRUSA-N 2 1 372.557 3.195 20 0 FGADMP CCN(CCCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246446403 497737641 /nfs/dbraw/zinc/73/76/41/497737641.db2.gz NXZLHCNLOSNCDL-AZUAARDMSA-N 2 1 360.546 3.275 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246543615 497769149 /nfs/dbraw/zinc/76/91/49/497769149.db2.gz DAUFTOUMSPVBSG-IKGGRYGDSA-N 2 1 356.432 3.167 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246543615 497769155 /nfs/dbraw/zinc/76/91/55/497769155.db2.gz DAUFTOUMSPVBSG-IKGGRYGDSA-N 2 1 356.432 3.167 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000246543615 497769161 /nfs/dbraw/zinc/76/91/61/497769161.db2.gz DAUFTOUMSPVBSG-IKGGRYGDSA-N 2 1 356.432 3.167 20 0 FGADMP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1O ZINC000277204348 497775102 /nfs/dbraw/zinc/77/51/02/497775102.db2.gz KCZWQOLDNBDKPF-OAHLLOKOSA-N 2 1 366.465 3.401 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578995 497780710 /nfs/dbraw/zinc/78/07/10/497780710.db2.gz TVOQUUCESQAKBT-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578995 497780711 /nfs/dbraw/zinc/78/07/11/497780711.db2.gz TVOQUUCESQAKBT-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578995 497780713 /nfs/dbraw/zinc/78/07/13/497780713.db2.gz TVOQUUCESQAKBT-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000246583457 497781302 /nfs/dbraw/zinc/78/13/02/497781302.db2.gz YTMAKLPQQXFEJQ-ONGXBYRLSA-N 2 1 359.514 3.064 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000246590606 497783722 /nfs/dbraw/zinc/78/37/22/497783722.db2.gz OABUGFBPEZOOIS-NXHRZFHOSA-N 2 1 372.538 3.364 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000194827559 497784349 /nfs/dbraw/zinc/78/43/49/497784349.db2.gz KWTBHRLCVVAPLQ-CQSZACIVSA-N 2 1 358.511 3.129 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246638266 497792816 /nfs/dbraw/zinc/79/28/16/497792816.db2.gz JKMFYOLFOXIPGO-RDJZCZTQSA-N 2 1 358.448 3.273 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246638266 497792817 /nfs/dbraw/zinc/79/28/17/497792817.db2.gz JKMFYOLFOXIPGO-RDJZCZTQSA-N 2 1 358.448 3.273 20 0 FGADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263770857 497814443 /nfs/dbraw/zinc/81/44/43/497814443.db2.gz SUIAUQUETQQQTO-CEXWTWQISA-N 2 1 373.541 3.143 20 0 FGADMP Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263770857 497814444 /nfs/dbraw/zinc/81/44/44/497814444.db2.gz SUIAUQUETQQQTO-CEXWTWQISA-N 2 1 373.541 3.143 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000581202569 505932809 /nfs/dbraw/zinc/93/28/09/505932809.db2.gz YYAFSVVEUGNGGT-UHFFFAOYSA-N 2 1 352.482 3.210 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000581202569 505932812 /nfs/dbraw/zinc/93/28/12/505932812.db2.gz YYAFSVVEUGNGGT-UHFFFAOYSA-N 2 1 352.482 3.210 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Cl)cc1F ZINC000288576659 497835326 /nfs/dbraw/zinc/83/53/26/497835326.db2.gz NLUBEWFWRBCJDS-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP Cc1cn2c(n1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000364242257 497857746 /nfs/dbraw/zinc/85/77/46/497857746.db2.gz GNECIWDUYIEPCB-BURNTYAHSA-N 2 1 350.510 3.292 20 0 FGADMP C[C@@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357379 497917337 /nfs/dbraw/zinc/91/73/37/497917337.db2.gz RMQPRXLNLIHJDV-UTKZUKDTSA-N 2 1 350.510 3.397 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000364367821 497924037 /nfs/dbraw/zinc/92/40/37/497924037.db2.gz FOMRLXXEXHAEAX-HXUWFJFHSA-N 2 1 352.482 3.020 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000364367821 497924042 /nfs/dbraw/zinc/92/40/42/497924042.db2.gz FOMRLXXEXHAEAX-HXUWFJFHSA-N 2 1 352.482 3.020 20 0 FGADMP C[NH+](C)CCOc1ccccc1-c1noc([C@H](c2ccccc2)[NH+](C)C)n1 ZINC000288945249 497955035 /nfs/dbraw/zinc/95/50/35/497955035.db2.gz GBJLXNUDHYMJSY-IBGZPJMESA-N 2 1 366.465 3.328 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c(OC)c1 ZINC000364436528 497957066 /nfs/dbraw/zinc/95/70/66/497957066.db2.gz FQFJRUYJHQZFFY-NDUPCHFUSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(OC)c1 ZINC000364436528 497957073 /nfs/dbraw/zinc/95/70/73/497957073.db2.gz FQFJRUYJHQZFFY-NDUPCHFUSA-N 2 1 362.514 3.244 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449201 497962781 /nfs/dbraw/zinc/96/27/81/497962781.db2.gz RUJDDUVUXPVJKF-UHOSZYNNSA-N 2 1 354.498 3.277 20 0 FGADMP CCN1CC[C@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578521038 505959696 /nfs/dbraw/zinc/95/96/96/505959696.db2.gz KNGKEJLTQIFMKP-KKXDTOCCSA-N 2 1 367.896 3.071 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218672 498025128 /nfs/dbraw/zinc/02/51/28/498025128.db2.gz XKUQPDYAFXFGMU-PKOBYXMFSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586971 498037324 /nfs/dbraw/zinc/03/73/24/498037324.db2.gz ZCPXJUJXXPQRFY-VLKNYHPOSA-N 2 1 374.569 3.095 20 0 FGADMP [NH3+][C@@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000569599242 505973263 /nfs/dbraw/zinc/97/32/63/505973263.db2.gz FHASSUKKJWALSY-QFIPXVFZSA-N 2 1 365.521 3.244 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000364663915 498076259 /nfs/dbraw/zinc/07/62/59/498076259.db2.gz OYDAWQRYONHUIP-FFGOWVMKSA-N 2 1 360.546 3.366 20 0 FGADMP COC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(Cl)c1 ZINC000581399597 505978865 /nfs/dbraw/zinc/97/88/65/505978865.db2.gz WIYCQOBVEANQGY-SFHVURJKSA-N 2 1 363.889 3.153 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000281318691 498103031 /nfs/dbraw/zinc/10/30/31/498103031.db2.gz KJLHBFIMKMNLHE-QGZVFWFLSA-N 2 1 356.514 3.283 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000281318691 498103039 /nfs/dbraw/zinc/10/30/39/498103039.db2.gz KJLHBFIMKMNLHE-QGZVFWFLSA-N 2 1 356.514 3.283 20 0 FGADMP C[N@@H+](C[C@@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527595 498116746 /nfs/dbraw/zinc/11/67/46/498116746.db2.gz OWCJWTBJORXWJD-DVJFUJMWSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285527595 498116752 /nfs/dbraw/zinc/11/67/52/498116752.db2.gz OWCJWTBJORXWJD-DVJFUJMWSA-N 2 1 353.304 3.040 20 0 FGADMP C[N@H+](C[C@@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527595 498116739 /nfs/dbraw/zinc/11/67/39/498116739.db2.gz OWCJWTBJORXWJD-DVJFUJMWSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285527595 498116757 /nfs/dbraw/zinc/11/67/57/498116757.db2.gz OWCJWTBJORXWJD-DVJFUJMWSA-N 2 1 353.304 3.040 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000281353973 498116779 /nfs/dbraw/zinc/11/67/79/498116779.db2.gz MTGXTYXUSCVTJU-OAQYLSRUSA-N 2 1 356.514 3.019 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289404892 498135589 /nfs/dbraw/zinc/13/55/89/498135589.db2.gz LIFKVKNJSGQODK-KRWDZBQOSA-N 2 1 350.503 3.279 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000569675747 505990498 /nfs/dbraw/zinc/99/04/98/505990498.db2.gz TUFHCTRNXVLDDG-QZTJIDSGSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000569675748 505990632 /nfs/dbraw/zinc/99/06/32/505990632.db2.gz TUFHCTRNXVLDDG-ROUUACIJSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000364936137 498217724 /nfs/dbraw/zinc/21/77/24/498217724.db2.gz IXMHZIRFNXRAED-ZDUSSCGKSA-N 2 1 351.388 3.388 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000285848629 498218057 /nfs/dbraw/zinc/21/80/57/498218057.db2.gz XSWOPIBRLRFIJO-UHFFFAOYSA-N 2 1 358.486 3.327 20 0 FGADMP CC(C)N1CCc2nc(CN3CC[C@H](C(C)(C)C)[C@@H](O)C3)sc2C1 ZINC000359963192 498232585 /nfs/dbraw/zinc/23/25/85/498232585.db2.gz YFBOPPUIZYYMCJ-HOCLYGCPSA-N 2 1 351.560 3.139 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950852 498250617 /nfs/dbraw/zinc/25/06/17/498250617.db2.gz DXTAJXFISBNJHV-NHCUHLMSSA-N 2 1 368.525 3.388 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950852 498250610 /nfs/dbraw/zinc/25/06/10/498250610.db2.gz DXTAJXFISBNJHV-NHCUHLMSSA-N 2 1 368.525 3.388 20 0 FGADMP CCCc1cc(N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301769810 498256396 /nfs/dbraw/zinc/25/63/96/498256396.db2.gz CZLLYRQHZJYYQC-LJQANCHMSA-N 2 1 352.526 3.404 20 0 FGADMP Cc1[nH+]ccn1CC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000296947008 498262479 /nfs/dbraw/zinc/26/24/79/498262479.db2.gz ATIKTHWASOYMSW-UHFFFAOYSA-N 2 1 368.525 3.043 20 0 FGADMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc(OC)c1O ZINC000289719772 498262629 /nfs/dbraw/zinc/26/26/29/498262629.db2.gz OICPUEYQEAVNLD-UHFFFAOYSA-N 2 1 371.481 3.322 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000360345943 498268090 /nfs/dbraw/zinc/26/80/90/498268090.db2.gz RCSLDLYSSPJALK-UHFFFAOYSA-N 2 1 365.481 3.041 20 0 FGADMP c1c[nH]c([C@H](NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062834 498278244 /nfs/dbraw/zinc/27/82/44/498278244.db2.gz APHVFIKPSXKFLE-LEWJYISDSA-N 2 1 361.493 3.191 20 0 FGADMP Fc1ccc(CCN2CCC([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000360869497 498317044 /nfs/dbraw/zinc/31/70/44/498317044.db2.gz FHYPZHMPBHZVEO-UHFFFAOYSA-N 2 1 359.533 3.297 20 0 FGADMP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000360870019 498317766 /nfs/dbraw/zinc/31/77/66/498317766.db2.gz GBHPLQSTXQVDEV-UYAOXDASSA-N 2 1 364.505 3.297 20 0 FGADMP COCCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000282028195 498363119 /nfs/dbraw/zinc/36/31/19/498363119.db2.gz STRNTMVCGAYLHI-OAQYLSRUSA-N 2 1 365.537 3.157 20 0 FGADMP [NH3+]CC1(CC(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000575865294 506021806 /nfs/dbraw/zinc/02/18/06/506021806.db2.gz WVZNYQPOVJZGBM-SFHVURJKSA-N 2 1 369.534 3.093 20 0 FGADMP [NH3+]CC1(CC(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000575865294 506021809 /nfs/dbraw/zinc/02/18/09/506021809.db2.gz WVZNYQPOVJZGBM-SFHVURJKSA-N 2 1 369.534 3.093 20 0 FGADMP COCC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC000361717337 498422583 /nfs/dbraw/zinc/42/25/83/498422583.db2.gz DEVSWFMLZVSWAI-DYESRHJHSA-N 2 1 359.514 3.016 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+](C2CCC2)C1 ZINC000293695909 498457861 /nfs/dbraw/zinc/45/78/61/498457861.db2.gz MUAKXBSGNPVUGC-SFHVURJKSA-N 2 1 355.526 3.229 20 0 FGADMP CN(c1ccccc1C[NH2+]Cc1ccc2cncn2c1)C1CC[NH+](C)CC1 ZINC000297507003 498475077 /nfs/dbraw/zinc/47/50/77/498475077.db2.gz LXCPROKQPPOKLL-UHFFFAOYSA-N 2 1 363.509 3.155 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000293757346 498479072 /nfs/dbraw/zinc/47/90/72/498479072.db2.gz YQSIWABUYBUCCX-VQIMIIECSA-N 2 1 365.477 3.160 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000293757346 498479082 /nfs/dbraw/zinc/47/90/82/498479082.db2.gz YQSIWABUYBUCCX-VQIMIIECSA-N 2 1 365.477 3.160 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[N@H+]1C ZINC000293772394 498484116 /nfs/dbraw/zinc/48/41/16/498484116.db2.gz ADIRKJKUUSIGML-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000572773495 506048881 /nfs/dbraw/zinc/04/88/81/506048881.db2.gz SFBOWPJTFIBELX-GFCCVEGCSA-N 2 1 350.450 3.292 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000362686001 498537206 /nfs/dbraw/zinc/53/72/06/498537206.db2.gz GYINZLRNWHMJBH-UHFFFAOYSA-N 2 1 360.889 3.083 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000362686001 498537213 /nfs/dbraw/zinc/53/72/13/498537213.db2.gz GYINZLRNWHMJBH-UHFFFAOYSA-N 2 1 360.889 3.083 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290466178 498563678 /nfs/dbraw/zinc/56/36/78/498563678.db2.gz UKOMCKPMPGLIFV-RDJZCZTQSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290466178 498563681 /nfs/dbraw/zinc/56/36/81/498563681.db2.gz UKOMCKPMPGLIFV-RDJZCZTQSA-N 2 1 373.522 3.189 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282578398 498567671 /nfs/dbraw/zinc/56/76/71/498567671.db2.gz VTSPLTGRMUXKLC-LJQANCHMSA-N 2 1 368.525 3.320 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282578398 498567680 /nfs/dbraw/zinc/56/76/80/498567680.db2.gz VTSPLTGRMUXKLC-LJQANCHMSA-N 2 1 368.525 3.320 20 0 FGADMP COCCCn1nccc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000282594017 498572945 /nfs/dbraw/zinc/57/29/45/498572945.db2.gz HFXQMZZAXYBQQE-NGRWLJPCSA-N 2 1 370.541 3.166 20 0 FGADMP COCCCn1nccc1C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000282594017 498572951 /nfs/dbraw/zinc/57/29/51/498572951.db2.gz HFXQMZZAXYBQQE-NGRWLJPCSA-N 2 1 370.541 3.166 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000572829410 506062284 /nfs/dbraw/zinc/06/22/84/506062284.db2.gz FCLINCRBYXHJPL-HXUWFJFHSA-N 2 1 374.960 3.397 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000576043165 506062702 /nfs/dbraw/zinc/06/27/02/506062702.db2.gz DWTHYWGFKVJLFZ-PBASOCQRSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000302984601 498636358 /nfs/dbraw/zinc/63/63/58/498636358.db2.gz KGGCAMHHVLASAU-ZCNNSNEGSA-N 2 1 366.594 3.164 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCOCC2(C)C)CC1 ZINC000581778253 506066208 /nfs/dbraw/zinc/06/62/08/506066208.db2.gz DLABFOAPDAKKDP-UHFFFAOYSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000572852828 506067803 /nfs/dbraw/zinc/06/78/03/506067803.db2.gz OLTKBXJMLNZISP-RDJZCZTQSA-N 2 1 360.527 3.239 20 0 FGADMP O=C(NCCCCC[NH2+]C1CC[NH+](C2CC2)CC1)OCc1ccccc1 ZINC000298045048 498648421 /nfs/dbraw/zinc/64/84/21/498648421.db2.gz HUHYJZZKZFDKBZ-UHFFFAOYSA-N 2 1 359.514 3.300 20 0 FGADMP O[C@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303215065 498656257 /nfs/dbraw/zinc/65/62/57/498656257.db2.gz SUIXJASQCQQRJC-ICSRJNTNSA-N 2 1 364.505 3.153 20 0 FGADMP O[C@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303215065 498656262 /nfs/dbraw/zinc/65/62/62/498656262.db2.gz SUIXJASQCQQRJC-ICSRJNTNSA-N 2 1 364.505 3.153 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)c(OC(F)F)c1 ZINC000365828651 498658792 /nfs/dbraw/zinc/65/87/92/498658792.db2.gz GUQCSVYBSWQHKG-CQSZACIVSA-N 2 1 351.397 3.410 20 0 FGADMP COc1ccc(CN2CCC[C@@H](c3nccn3C)C2)c(OC(F)F)c1 ZINC000365828651 498658804 /nfs/dbraw/zinc/65/88/04/498658804.db2.gz GUQCSVYBSWQHKG-CQSZACIVSA-N 2 1 351.397 3.410 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@@H+](C)C1CC1 ZINC000303297280 498663038 /nfs/dbraw/zinc/66/30/38/498663038.db2.gz YCHXBXODQGFTQK-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP CCCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363126116 498663188 /nfs/dbraw/zinc/66/31/88/498663188.db2.gz BSNWAFLZGCKYTQ-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1)C(C)C ZINC000294354903 498667069 /nfs/dbraw/zinc/66/70/69/498667069.db2.gz YRDHXZPNWCRLSP-QFIPXVFZSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1)C(C)C ZINC000294354903 498667076 /nfs/dbraw/zinc/66/70/76/498667076.db2.gz YRDHXZPNWCRLSP-QFIPXVFZSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1)C(C)C ZINC000294354903 498667079 /nfs/dbraw/zinc/66/70/79/498667079.db2.gz YRDHXZPNWCRLSP-QFIPXVFZSA-N 2 1 357.542 3.475 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000570021949 506071213 /nfs/dbraw/zinc/07/12/13/506071213.db2.gz ZJWYJARMFIPEBL-MRXNPFEDSA-N 2 1 357.502 3.034 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881830 506074528 /nfs/dbraw/zinc/07/45/28/506074528.db2.gz WWVXKBOSBRXDRW-PZJWPPBQSA-N 2 1 367.493 3.040 20 0 FGADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1cccc(F)c1 ZINC000303602985 498696859 /nfs/dbraw/zinc/69/68/59/498696859.db2.gz ARIFQRSSGQTTEL-HXUWFJFHSA-N 2 1 359.489 3.129 20 0 FGADMP O=C(Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1)c1cccnc1 ZINC000298291335 498723278 /nfs/dbraw/zinc/72/32/78/498723278.db2.gz HGKDQNNHLDZHGM-UHFFFAOYSA-N 2 1 350.466 3.050 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000282970419 498731060 /nfs/dbraw/zinc/73/10/60/498731060.db2.gz DCEZEIMBSQPCTD-KFKAGJAMSA-N 2 1 353.466 3.217 20 0 FGADMP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311496205 498751801 /nfs/dbraw/zinc/75/18/01/498751801.db2.gz VSIYOHVPLXRUAO-RTWAWAEBSA-N 2 1 351.494 3.200 20 0 FGADMP c1c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ncccn12 ZINC000363324774 498762513 /nfs/dbraw/zinc/76/25/13/498762513.db2.gz SUALYEURCXUODB-QFIPXVFZSA-N 2 1 361.493 3.217 20 0 FGADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091761 506088244 /nfs/dbraw/zinc/08/82/44/506088244.db2.gz IGSSFQUEBHHNSA-IFMALSPDSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091761 506088249 /nfs/dbraw/zinc/08/82/49/506088249.db2.gz IGSSFQUEBHHNSA-IFMALSPDSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091761 506088254 /nfs/dbraw/zinc/08/82/54/506088254.db2.gz IGSSFQUEBHHNSA-IFMALSPDSA-N 2 1 371.569 3.274 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000576149333 506088577 /nfs/dbraw/zinc/08/85/77/506088577.db2.gz SZFMRPBTZBAQQI-UZKOGDIHSA-N 2 1 360.542 3.009 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)CC2)[nH+]c1 ZINC000363393373 498796877 /nfs/dbraw/zinc/79/68/77/498796877.db2.gz QORJXDKPMJFVMF-OALUTQOASA-N 2 1 372.557 3.091 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000332822108 498803981 /nfs/dbraw/zinc/80/39/81/498803981.db2.gz NYXCAJYPXAYWED-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332822108 498803985 /nfs/dbraw/zinc/80/39/85/498803985.db2.gz NYXCAJYPXAYWED-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298545258 498808241 /nfs/dbraw/zinc/80/82/41/498808241.db2.gz UBSUEKGQFQUJKN-QGZVFWFLSA-N 2 1 370.541 3.220 20 0 FGADMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000570153461 506103172 /nfs/dbraw/zinc/10/31/72/506103172.db2.gz GYNBBFBSHHMTRP-VAMGGRTRSA-N 2 1 353.466 3.121 20 0 FGADMP C[N@H+]1CCCC12CCN(C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000363678464 498939533 /nfs/dbraw/zinc/93/95/33/498939533.db2.gz QQCSUBVKBCPQLC-KRWDZBQOSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000363678464 498939537 /nfs/dbraw/zinc/93/95/37/498939537.db2.gz QQCSUBVKBCPQLC-KRWDZBQOSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000363678464 498939542 /nfs/dbraw/zinc/93/95/42/498939542.db2.gz QQCSUBVKBCPQLC-KRWDZBQOSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000363684087 498944146 /nfs/dbraw/zinc/94/41/46/498944146.db2.gz WIRXQHDPCNLLLI-KRWDZBQOSA-N 2 1 355.486 3.185 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000363684087 498944152 /nfs/dbraw/zinc/94/41/52/498944152.db2.gz WIRXQHDPCNLLLI-KRWDZBQOSA-N 2 1 355.486 3.185 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299029928 498945162 /nfs/dbraw/zinc/94/51/62/498945162.db2.gz RLFISDUWPHAVNL-FUHWJXTLSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299029928 498945172 /nfs/dbraw/zinc/94/51/72/498945172.db2.gz RLFISDUWPHAVNL-FUHWJXTLSA-N 2 1 361.505 3.027 20 0 FGADMP NC(=O)c1cccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000291454967 498946869 /nfs/dbraw/zinc/94/68/69/498946869.db2.gz MQIZTDWSRQQVDP-UHFFFAOYSA-N 2 1 363.505 3.274 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ncc(-c2ccccc2F)o1 ZINC000363703760 498951545 /nfs/dbraw/zinc/95/15/45/498951545.db2.gz GIXOUZQURGTSRU-JTDSTZFVSA-N 2 1 373.472 3.460 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ncc(-c2ccccc2F)o1 ZINC000363703759 498951598 /nfs/dbraw/zinc/95/15/98/498951598.db2.gz GIXOUZQURGTSRU-GPMSIDNRSA-N 2 1 373.472 3.460 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000363734579 498966137 /nfs/dbraw/zinc/96/61/37/498966137.db2.gz UVSMUUAUDBWRPG-INMHGKMJSA-N 2 1 365.543 3.340 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582052535 506122793 /nfs/dbraw/zinc/12/27/93/506122793.db2.gz FRFDKCROXSHOSY-CEWLAPEOSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782145 498989916 /nfs/dbraw/zinc/98/99/16/498989916.db2.gz GWBJPOYDVNPCMV-ZSZQSSIHSA-N 2 1 368.510 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782145 498989922 /nfs/dbraw/zinc/98/99/22/498989922.db2.gz GWBJPOYDVNPCMV-ZSZQSSIHSA-N 2 1 368.510 3.067 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2NC(=O)c2ccc3cncn3c2)C[C@H](C)O1 ZINC000283925547 499013120 /nfs/dbraw/zinc/01/31/20/499013120.db2.gz JIELHDJKODDCNL-IYBDPMFKSA-N 2 1 364.449 3.196 20 0 FGADMP Cc1noc(C2CCC([NH2+]C3CC[NH+](CCc4ccncc4)CC3)CC2)n1 ZINC000366680274 499030385 /nfs/dbraw/zinc/03/03/85/499030385.db2.gz QSEOOYYVTSTUGV-UHFFFAOYSA-N 2 1 369.513 3.096 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)cnc1N1CCCC[C@H]1C ZINC000333580945 499034426 /nfs/dbraw/zinc/03/44/26/499034426.db2.gz ZSQDDPHAIBPFBM-DYESRHJHSA-N 2 1 371.529 3.328 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000291742312 499053762 /nfs/dbraw/zinc/05/37/62/499053762.db2.gz JEQXLHSNFAAQHP-QAPCUYQASA-N 2 1 357.523 3.203 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000291742312 499053766 /nfs/dbraw/zinc/05/37/66/499053766.db2.gz JEQXLHSNFAAQHP-QAPCUYQASA-N 2 1 357.523 3.203 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(C[NH+]4CCCC4)on3)ccc21 ZINC000576322535 506129729 /nfs/dbraw/zinc/12/97/29/506129729.db2.gz QESOEDLYJFNALR-IBGZPJMESA-N 2 1 354.454 3.072 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C ZINC000299454447 499064039 /nfs/dbraw/zinc/06/40/39/499064039.db2.gz ZLBNLFUSMXVHOY-ZIAGYGMSSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@H+]1C ZINC000299454447 499064044 /nfs/dbraw/zinc/06/40/44/499064044.db2.gz ZLBNLFUSMXVHOY-ZIAGYGMSSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454447 499064048 /nfs/dbraw/zinc/06/40/48/499064048.db2.gz ZLBNLFUSMXVHOY-ZIAGYGMSSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454447 499064051 /nfs/dbraw/zinc/06/40/51/499064051.db2.gz ZLBNLFUSMXVHOY-ZIAGYGMSSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H](NCc1cnnn1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776810 499064269 /nfs/dbraw/zinc/06/42/69/499064269.db2.gz UJMNPEURMHLCIL-PKOBYXMFSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000291776810 499064272 /nfs/dbraw/zinc/06/42/72/499064272.db2.gz UJMNPEURMHLCIL-PKOBYXMFSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776810 499064274 /nfs/dbraw/zinc/06/42/74/499064274.db2.gz UJMNPEURMHLCIL-PKOBYXMFSA-N 2 1 353.514 3.069 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000366996883 499131880 /nfs/dbraw/zinc/13/18/80/499131880.db2.gz KLYALCJCFHVOND-QFIPXVFZSA-N 2 1 351.494 3.048 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N2CCC(c3cnc[nH]3)CC2)[NH+](C)C)cc1 ZINC000372685089 499160638 /nfs/dbraw/zinc/16/06/38/499160638.db2.gz NNFGACFKMBCECG-FQEVSTJZSA-N 2 1 369.513 3.164 20 0 FGADMP CO[C@@H](C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283947 499173344 /nfs/dbraw/zinc/17/33/44/499173344.db2.gz BKZFZDYLHSCZQB-UXHICEINSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@@H](C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283947 499173345 /nfs/dbraw/zinc/17/33/45/499173345.db2.gz BKZFZDYLHSCZQB-UXHICEINSA-N 2 1 365.949 3.129 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000372801726 499177401 /nfs/dbraw/zinc/17/74/01/499177401.db2.gz LNPBQPCRUNAXQH-HXUWFJFHSA-N 2 1 363.590 3.469 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c(C)nc2s1 ZINC000367334948 499183485 /nfs/dbraw/zinc/18/34/85/499183485.db2.gz SLFWGUHTFSCHCI-SJLPKXTDSA-N 2 1 355.511 3.190 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c(C)nc2s1 ZINC000367334948 499183487 /nfs/dbraw/zinc/18/34/87/499183487.db2.gz SLFWGUHTFSCHCI-SJLPKXTDSA-N 2 1 355.511 3.190 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)CC(C)(C)O2)C1CC[NH+](C2CCOCC2)CC1 ZINC000367432926 499198429 /nfs/dbraw/zinc/19/84/29/499198429.db2.gz RNVMNRBVXIRYGW-UHFFFAOYSA-N 2 1 358.526 3.475 20 0 FGADMP Cc1cccnc1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370266994 499204061 /nfs/dbraw/zinc/20/40/61/499204061.db2.gz CAOZZJMLNAZBHI-UHFFFAOYSA-N 2 1 373.545 3.050 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]2CCC[C@@H]21 ZINC000367610070 499217070 /nfs/dbraw/zinc/21/70/70/499217070.db2.gz ZXMGIMBIDNWAHJ-ACRUOGEOSA-N 2 1 367.493 3.172 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cn(C)nc3C(C)(C)C)CC2)nc(C)n1 ZINC000367748710 499230347 /nfs/dbraw/zinc/23/03/47/499230347.db2.gz JLOCXPWZNNSXSF-UHFFFAOYSA-N 2 1 370.545 3.225 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cn(C)nc3C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000367748710 499230350 /nfs/dbraw/zinc/23/03/50/499230350.db2.gz JLOCXPWZNNSXSF-UHFFFAOYSA-N 2 1 370.545 3.225 20 0 FGADMP COC[C@@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370661454 499241199 /nfs/dbraw/zinc/24/11/99/499241199.db2.gz GCBRUVVVXNPQAS-JOCHJYFZSA-N 3 1 373.585 3.030 20 0 FGADMP C[C@H](C1CC1)N(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000367888846 499242008 /nfs/dbraw/zinc/24/20/08/499242008.db2.gz ZBPHTWXDPSIFTH-QGZVFWFLSA-N 2 1 370.541 3.019 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676626 499243407 /nfs/dbraw/zinc/24/34/07/499243407.db2.gz MOROMUSSFUTGSW-KBAYOESNSA-N 2 1 363.933 3.293 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000367999480 499253601 /nfs/dbraw/zinc/25/36/01/499253601.db2.gz UYKZVRIQIBBSKD-IPMKNSEASA-N 2 1 357.498 3.256 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)CCC[N@@H+]2C)cc1 ZINC000368114916 499265862 /nfs/dbraw/zinc/26/58/62/499265862.db2.gz KMCLGCJVEJHZSP-IMFGXOCKSA-N 2 1 371.529 3.083 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+][C@H](C)C(C)(C)n3cncn3)CCC[N@H+]2C)cc1 ZINC000368114916 499265863 /nfs/dbraw/zinc/26/58/63/499265863.db2.gz KMCLGCJVEJHZSP-IMFGXOCKSA-N 2 1 371.529 3.083 20 0 FGADMP CN(C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCCC1 ZINC000371079862 499286783 /nfs/dbraw/zinc/28/67/83/499286783.db2.gz JCWALBSWXWDBJK-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](CCC(C)(C)C)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368367514 499289524 /nfs/dbraw/zinc/28/95/24/499289524.db2.gz REIYDSIOBRZJMF-SJLPKXTDSA-N 2 1 352.567 3.011 20 0 FGADMP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453742 499297404 /nfs/dbraw/zinc/29/74/04/499297404.db2.gz MJTSUHQGXQXPFH-DYESRHJHSA-N 2 1 351.494 3.443 20 0 FGADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000368480902 499300463 /nfs/dbraw/zinc/30/04/63/499300463.db2.gz CRQJTDWZULFYFJ-INDMIFKZSA-N 2 1 352.906 3.211 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000371258322 499303090 /nfs/dbraw/zinc/30/30/90/499303090.db2.gz NGSXPUJEKBKHJA-FNCFORQESA-N 2 1 364.505 3.117 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000371258322 499303092 /nfs/dbraw/zinc/30/30/92/499303092.db2.gz NGSXPUJEKBKHJA-FNCFORQESA-N 2 1 364.505 3.117 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368530691 499305109 /nfs/dbraw/zinc/30/51/09/499305109.db2.gz OVYIQQFCHPIJHG-HXUWFJFHSA-N 2 1 369.538 3.409 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@]3(C)CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368530691 499305112 /nfs/dbraw/zinc/30/51/12/499305112.db2.gz OVYIQQFCHPIJHG-HXUWFJFHSA-N 2 1 369.538 3.409 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371302987 499307627 /nfs/dbraw/zinc/30/76/27/499307627.db2.gz LXUAVRRDRQQFBO-LEWJYISDSA-N 2 1 359.558 3.030 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1ccccc1 ZINC000371521044 499337342 /nfs/dbraw/zinc/33/73/42/499337342.db2.gz YQAAHMBOZOGACJ-NZQKXSOJSA-N 2 1 364.537 3.329 20 0 FGADMP Cc1ncc(CN2CC[C@@H]([NH2+]CCCCn3cc[nH+]c3C)[C@H](C)C2)s1 ZINC000368949910 499349545 /nfs/dbraw/zinc/34/95/45/499349545.db2.gz KKPHLALHUMXUBA-DNVCBOLYSA-N 2 1 361.559 3.237 20 0 FGADMP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000369194355 499376042 /nfs/dbraw/zinc/37/60/42/499376042.db2.gz OZEHHSKOXHZUDU-SFTDATJTSA-N 2 1 358.574 3.279 20 0 FGADMP CCOc1c(OC)cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1OC ZINC000369205095 499377208 /nfs/dbraw/zinc/37/72/08/499377208.db2.gz QURVQIQZUWGJLZ-UHFFFAOYSA-N 2 1 362.514 3.410 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000372190505 499407059 /nfs/dbraw/zinc/40/70/59/499407059.db2.gz BNNWJBUESZYHAT-IFMALSPDSA-N 2 1 367.537 3.371 20 0 FGADMP C[N@@H+](C[C@H]1CC12CCN(C(=O)[C@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354461 499506351 /nfs/dbraw/zinc/50/63/51/499506351.db2.gz JVUHVVKOAIJRTD-RBUKOAKNSA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@H]1CC12CCN(C(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354461 499506352 /nfs/dbraw/zinc/50/63/52/499506352.db2.gz JVUHVVKOAIJRTD-RBUKOAKNSA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@H]1CC12CCN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354461 499506353 /nfs/dbraw/zinc/50/63/53/499506353.db2.gz JVUHVVKOAIJRTD-RBUKOAKNSA-N 2 1 373.585 3.364 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)[N@H+](C)Cc1ccccc1 ZINC000379624737 499542150 /nfs/dbraw/zinc/54/21/50/499542150.db2.gz DYBNQEHAHLGIFU-INIZCTEOSA-N 2 1 353.466 3.018 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)[N@@H+](C)Cc1ccccc1 ZINC000379624737 499542151 /nfs/dbraw/zinc/54/21/51/499542151.db2.gz DYBNQEHAHLGIFU-INIZCTEOSA-N 2 1 353.466 3.018 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660707 499542522 /nfs/dbraw/zinc/54/25/22/499542522.db2.gz CTACDIMKQYTZKU-PIPMEXSNSA-N 2 1 363.505 3.043 20 0 FGADMP Cn1ncc2c1ncnc2NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000388975278 499551839 /nfs/dbraw/zinc/55/18/39/499551839.db2.gz PLWFAOINSBFWFP-KRWDZBQOSA-N 2 1 350.470 3.078 20 0 FGADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586234 499554624 /nfs/dbraw/zinc/55/46/24/499554624.db2.gz FOMNDEZJUVGAIO-VLCRHTCISA-N 2 1 351.494 3.012 20 0 FGADMP Cc1ccnc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000376350088 499602293 /nfs/dbraw/zinc/60/22/93/499602293.db2.gz HRKQICAFKHCEMB-UHFFFAOYSA-N 2 1 373.545 3.050 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000410369364 499658038 /nfs/dbraw/zinc/65/80/38/499658038.db2.gz DTDNECPOLGJRRZ-IBGZPJMESA-N 2 1 372.557 3.297 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccs1 ZINC000579354137 506154781 /nfs/dbraw/zinc/15/47/81/506154781.db2.gz QTNYWYXVIULZFK-IRXDYDNUSA-N 2 1 358.507 3.377 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccs1 ZINC000579354137 506154784 /nfs/dbraw/zinc/15/47/84/506154784.db2.gz QTNYWYXVIULZFK-IRXDYDNUSA-N 2 1 358.507 3.377 20 0 FGADMP CCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000411166665 499705552 /nfs/dbraw/zinc/70/55/52/499705552.db2.gz MJRQZBTUERPGKN-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000411166665 499705553 /nfs/dbraw/zinc/70/55/53/499705553.db2.gz MJRQZBTUERPGKN-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CC[C@H](O)c3ccccc3)CC2)nc(C)n1 ZINC000377581343 499706712 /nfs/dbraw/zinc/70/67/12/499706712.db2.gz DKACDUOHRBDTMJ-FQEVSTJZSA-N 2 1 354.498 3.118 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CC[C@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000377581343 499706713 /nfs/dbraw/zinc/70/67/13/499706713.db2.gz DKACDUOHRBDTMJ-FQEVSTJZSA-N 2 1 354.498 3.118 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CC[C@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000377581343 499706715 /nfs/dbraw/zinc/70/67/15/499706715.db2.gz DKACDUOHRBDTMJ-FQEVSTJZSA-N 2 1 354.498 3.118 20 0 FGADMP C[N@H+](Cc1ccc(CSC(F)F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377619930 499711447 /nfs/dbraw/zinc/71/14/47/499711447.db2.gz DGYXFQKNYPQNLT-HNNXBMFYSA-N 2 1 373.513 3.336 20 0 FGADMP C[N@@H+](Cc1ccc(CSC(F)F)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377619930 499711449 /nfs/dbraw/zinc/71/14/49/499711449.db2.gz DGYXFQKNYPQNLT-HNNXBMFYSA-N 2 1 373.513 3.336 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377706852 499723023 /nfs/dbraw/zinc/72/30/23/499723023.db2.gz UHCZZXSGZHCGMM-AZUAARDMSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377706852 499723025 /nfs/dbraw/zinc/72/30/25/499723025.db2.gz UHCZZXSGZHCGMM-AZUAARDMSA-N 2 1 373.541 3.011 20 0 FGADMP O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410107 499736346 /nfs/dbraw/zinc/73/63/46/499736346.db2.gz CIMHSECIHBRJES-SFTDATJTSA-N 2 1 355.526 3.163 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377805786 499736855 /nfs/dbraw/zinc/73/68/55/499736855.db2.gz XWIQPELNMHJUOG-IEZWGBDMSA-N 2 1 367.493 3.051 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377805787 499736938 /nfs/dbraw/zinc/73/69/38/499736938.db2.gz XWIQPELNMHJUOG-KVSKMBFKSA-N 2 1 367.493 3.051 20 0 FGADMP Cc1cccc2ncc(C[N@@H+](C)C3CCN(CCc4ccncc4)CC3)n21 ZINC000377902893 499746675 /nfs/dbraw/zinc/74/66/75/499746675.db2.gz GNXAEDPWHGWEJC-UHFFFAOYSA-N 2 1 363.509 3.177 20 0 FGADMP Cc1cccc2ncc(C[N@H+](C)C3CCN(CCc4ccncc4)CC3)n21 ZINC000377902893 499746676 /nfs/dbraw/zinc/74/66/76/499746676.db2.gz GNXAEDPWHGWEJC-UHFFFAOYSA-N 2 1 363.509 3.177 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(CS(C)(=O)=O)CCC2)CC1 ZINC000414337996 499778827 /nfs/dbraw/zinc/77/88/27/499778827.db2.gz XVSNIJNZELYFPD-UHFFFAOYSA-N 2 1 372.619 3.470 20 0 FGADMP O=C([C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)N1CCCC1 ZINC000411743575 499785484 /nfs/dbraw/zinc/78/54/84/499785484.db2.gz SJMYMCPFZJZDCV-OAQYLSRUSA-N 2 1 355.526 3.117 20 0 FGADMP C[C@H](CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411767640 499788424 /nfs/dbraw/zinc/78/84/24/499788424.db2.gz ODXXQWCNWDVVKV-KOUNCHBCSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000411767640 499788425 /nfs/dbraw/zinc/78/84/25/499788425.db2.gz ODXXQWCNWDVVKV-KOUNCHBCSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000411767640 499788426 /nfs/dbraw/zinc/78/84/26/499788426.db2.gz ODXXQWCNWDVVKV-KOUNCHBCSA-N 2 1 364.574 3.408 20 0 FGADMP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785388 499790347 /nfs/dbraw/zinc/79/03/47/499790347.db2.gz JRVBQLZJLVXRLG-VSKRKVRLSA-N 2 1 358.526 3.034 20 0 FGADMP OC(C[NH+]1CCSC2(CCC2)CC1)C[N@H+]1CCSC2(CCC2)CC1 ZINC000411870137 499798189 /nfs/dbraw/zinc/79/81/89/499798189.db2.gz OMUGUNSKMJRFMB-UHFFFAOYSA-N 2 1 370.628 3.071 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@H]12 ZINC000414670769 499819116 /nfs/dbraw/zinc/81/91/16/499819116.db2.gz MRYBSYNYOAJBCB-ZYSHUDEJSA-N 2 1 351.498 3.229 20 0 FGADMP Cc1ccc(OCc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000414766962 499828469 /nfs/dbraw/zinc/82/84/69/499828469.db2.gz IWLIGLNUCCKQCJ-CALCHBBNSA-N 2 1 357.523 3.462 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414809926 499833561 /nfs/dbraw/zinc/83/35/61/499833561.db2.gz UVYAGGUWJIGPDT-ZFWWWQNUSA-N 2 1 363.303 3.446 20 0 FGADMP Clc1ccccc1CN1CCC([NH2+]CCC[NH2+]Cc2cccnc2)CC1 ZINC000414879630 499840675 /nfs/dbraw/zinc/84/06/75/499840675.db2.gz PJXALCIYTQWZAK-UHFFFAOYSA-N 2 1 372.944 3.469 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414896441 499842650 /nfs/dbraw/zinc/84/26/50/499842650.db2.gz BUDRJWDWRGBWHK-CRAIPNDOSA-N 2 1 355.486 3.317 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000414896022 499842676 /nfs/dbraw/zinc/84/26/76/499842676.db2.gz AODQQZAULPVYCM-UHFFFAOYSA-N 2 1 355.486 3.271 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000414904124 499843244 /nfs/dbraw/zinc/84/32/44/499843244.db2.gz MTJLVAZOXUKKKY-QGZVFWFLSA-N 2 1 355.486 3.318 20 0 FGADMP C[C@@]1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]C1 ZINC000414903072 499843406 /nfs/dbraw/zinc/84/34/06/499843406.db2.gz LJKVTPBRZAEFSS-QGZVFWFLSA-N 2 1 363.303 3.114 20 0 FGADMP C[C@]1(C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CCC[NH2+]C1 ZINC000414916518 499844352 /nfs/dbraw/zinc/84/43/52/499844352.db2.gz PUTIXJZDQHGNRT-SFHVURJKSA-N 2 1 366.431 3.430 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@H](C[NH3+])C2CC2)c1 ZINC000414919583 499844628 /nfs/dbraw/zinc/84/46/28/499844628.db2.gz XPZJNNYRKKRIFA-GOSISDBHSA-N 2 1 355.486 3.256 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414928567 499845647 /nfs/dbraw/zinc/84/56/47/499845647.db2.gz NLTMQIWUPBDNAL-GUYCJALGSA-N 2 1 367.921 3.434 20 0 FGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)CC1CCOCC1 ZINC000414936004 499846303 /nfs/dbraw/zinc/84/63/03/499846303.db2.gz BEBYVYLPGTXLOV-JNAXZKDPSA-N 2 1 352.469 3.453 20 0 FGADMP Cc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)sc1Br ZINC000415060737 499859807 /nfs/dbraw/zinc/85/98/07/499859807.db2.gz XKQPUSBTJGDMRT-UHFFFAOYSA-N 2 1 372.376 3.125 20 0 FGADMP O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415089738 499862408 /nfs/dbraw/zinc/86/24/08/499862408.db2.gz WRTWJFCTWDMLOE-FCHUYYIVSA-N 2 1 363.505 3.392 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3C[C@H](C)[NH2+]Cc4ccccc43)sc2C1 ZINC000415096553 499863025 /nfs/dbraw/zinc/86/30/25/499863025.db2.gz DRHZIFRZDHSONM-HNNXBMFYSA-N 2 1 356.539 3.408 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124000 499866803 /nfs/dbraw/zinc/86/68/03/499866803.db2.gz LXXUIDHGLNHPSK-FCHUYYIVSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124000 499866805 /nfs/dbraw/zinc/86/68/05/499866805.db2.gz LXXUIDHGLNHPSK-FCHUYYIVSA-N 2 1 373.585 3.363 20 0 FGADMP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@H]1C[NH3+] ZINC000415133616 499868393 /nfs/dbraw/zinc/86/83/93/499868393.db2.gz VGMBAQPJKAMXJP-PBHICJAKSA-N 2 1 366.431 3.367 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@H]1C[NH3+] ZINC000415133616 499868395 /nfs/dbraw/zinc/86/83/95/499868395.db2.gz VGMBAQPJKAMXJP-PBHICJAKSA-N 2 1 366.431 3.367 20 0 FGADMP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H]1C[NH3+] ZINC000415133618 499868467 /nfs/dbraw/zinc/86/84/67/499868467.db2.gz VGMBAQPJKAMXJP-WMLDXEAASA-N 2 1 366.431 3.367 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H]1C[NH3+] ZINC000415133618 499868468 /nfs/dbraw/zinc/86/84/68/499868468.db2.gz VGMBAQPJKAMXJP-WMLDXEAASA-N 2 1 366.431 3.367 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415901157 499926168 /nfs/dbraw/zinc/92/61/68/499926168.db2.gz UNHDJNAYWOWNQQ-NRFANRHFSA-N 2 1 364.493 3.071 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000415937034 499930681 /nfs/dbraw/zinc/93/06/81/499930681.db2.gz XBGYHHNPKHQXSM-OAQYLSRUSA-N 2 1 366.509 3.438 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000415963460 499934355 /nfs/dbraw/zinc/93/43/55/499934355.db2.gz VPQRBQZMSNKJMP-HNNXBMFYSA-N 2 1 362.493 3.105 20 0 FGADMP CCN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415964040 499934367 /nfs/dbraw/zinc/93/43/67/499934367.db2.gz VSUULWZWOFCIBN-HXUWFJFHSA-N 2 1 352.482 3.274 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000415966324 499934733 /nfs/dbraw/zinc/93/47/33/499934733.db2.gz ZGHFRXVEFOAPEY-QZTJIDSGSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000415966324 499934735 /nfs/dbraw/zinc/93/47/35/499934735.db2.gz ZGHFRXVEFOAPEY-QZTJIDSGSA-N 2 1 358.873 3.366 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415966565 499934853 /nfs/dbraw/zinc/93/48/53/499934853.db2.gz AHBQXPYAXIHZNX-IBGZPJMESA-N 2 1 352.482 3.131 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000415980625 499936796 /nfs/dbraw/zinc/93/67/96/499936796.db2.gz TUEVRGZBRUCVTM-SEJPIABJSA-N 2 1 364.493 3.462 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415979607 499936908 /nfs/dbraw/zinc/93/69/08/499936908.db2.gz DTCFKCOEYYGFDT-UZLBHIALSA-N 2 1 352.482 3.048 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996948 499939014 /nfs/dbraw/zinc/93/90/14/499939014.db2.gz OLJZXAMSHJMILF-SFHVURJKSA-N 2 1 364.493 3.276 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417037807 499954750 /nfs/dbraw/zinc/95/47/50/499954750.db2.gz IRQWWRBXNISLKV-AABGKKOBSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000428982969 499973208 /nfs/dbraw/zinc/97/32/08/499973208.db2.gz UJOZNQPLDOIJQJ-SIKLNZKXSA-N 2 1 365.521 3.193 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079781 500000047 /nfs/dbraw/zinc/00/00/47/500000047.db2.gz BFMXWCPXZXJNTP-SDEKRAFDSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417236577 500013851 /nfs/dbraw/zinc/01/38/51/500013851.db2.gz GDGYHVKFRYAEAZ-GUDVDZBRSA-N 2 1 364.578 3.061 20 0 FGADMP CSC[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CSC)C2)C1 ZINC000429289542 500044459 /nfs/dbraw/zinc/04/44/59/500044459.db2.gz BZSNMAKVYMEYAL-ROUUACIJSA-N 2 1 360.633 3.153 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000429317341 500051179 /nfs/dbraw/zinc/05/11/79/500051179.db2.gz KOYAEVURWZIMPR-HXUWFJFHSA-N 2 1 353.441 3.075 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000429317341 500051182 /nfs/dbraw/zinc/05/11/82/500051182.db2.gz KOYAEVURWZIMPR-HXUWFJFHSA-N 2 1 353.441 3.075 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385302 500056427 /nfs/dbraw/zinc/05/64/27/500056427.db2.gz LYROTRDAGPGRGY-IYWMVGAKSA-N 2 1 363.496 3.216 20 0 FGADMP CS[C@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350982 500082646 /nfs/dbraw/zinc/08/26/46/500082646.db2.gz LVFKMFRZKMZMIW-PMACEKPBSA-N 2 1 364.555 3.160 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccccc1 ZINC000413899549 500090511 /nfs/dbraw/zinc/09/05/11/500090511.db2.gz JDEDLWLWKFLSAR-HXUWFJFHSA-N 2 1 373.472 3.398 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccccc1 ZINC000413899549 500090516 /nfs/dbraw/zinc/09/05/16/500090516.db2.gz JDEDLWLWKFLSAR-HXUWFJFHSA-N 2 1 373.472 3.398 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000429515566 500092128 /nfs/dbraw/zinc/09/21/28/500092128.db2.gz BSCVZLOQSCOCLF-DYESRHJHSA-N 2 1 351.494 3.235 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429558940 500102335 /nfs/dbraw/zinc/10/23/35/500102335.db2.gz NKRJWCMSRDAJNN-VQTJNVASSA-N 2 1 362.558 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429558940 500102338 /nfs/dbraw/zinc/10/23/38/500102338.db2.gz NKRJWCMSRDAJNN-VQTJNVASSA-N 2 1 362.558 3.448 20 0 FGADMP CCCN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)C1CC[NH2+]CC1 ZINC000417583403 500116427 /nfs/dbraw/zinc/11/64/27/500116427.db2.gz KJDIHOOLHYDTPG-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1CC[NH2+]CC1 ZINC000416841454 500135063 /nfs/dbraw/zinc/13/50/63/500135063.db2.gz HGSYRRHDXMSHFG-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CC1(C)C[C@@H](c2ccccc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000425546242 500140633 /nfs/dbraw/zinc/14/06/33/500140633.db2.gz SZESDOHBTFOTTJ-FQEVSTJZSA-N 2 1 355.526 3.203 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000416870815 500143940 /nfs/dbraw/zinc/14/39/40/500143940.db2.gz IWNFFAYZHNKWTR-QGZVFWFLSA-N 2 1 354.498 3.028 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C1 ZINC000579454595 506178867 /nfs/dbraw/zinc/17/88/67/506178867.db2.gz OBQYJBDLIZPWCS-APWZRJJASA-N 2 1 372.538 3.027 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421823691 500159575 /nfs/dbraw/zinc/15/95/75/500159575.db2.gz DTWDZFPTTXCRLC-FQEVSTJZSA-N 2 1 350.478 3.376 20 0 FGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000421844928 500163123 /nfs/dbraw/zinc/16/31/23/500163123.db2.gz PCCPXPDLPFYFPH-VHSSKADRSA-N 2 1 352.906 3.377 20 0 FGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000421844927 500163249 /nfs/dbraw/zinc/16/32/49/500163249.db2.gz PCCPXPDLPFYFPH-MORSLUCNSA-N 2 1 352.906 3.377 20 0 FGADMP CCCN1C[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000421872462 500167463 /nfs/dbraw/zinc/16/74/63/500167463.db2.gz GUEHWVYSQZAGCJ-MWXLCCTBSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416967094 500168861 /nfs/dbraw/zinc/16/88/61/500168861.db2.gz GTGNUIZOSHDRSR-NQIIRXRSSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000416969165 500169299 /nfs/dbraw/zinc/16/92/99/500169299.db2.gz KIBQNYVLVUSNOD-ROUUACIJSA-N 2 1 360.546 3.235 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416969818 500170270 /nfs/dbraw/zinc/17/02/70/500170270.db2.gz CQXAEPLWHHWSSE-JRGCBEDISA-N 2 1 372.557 3.378 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000417860999 500186317 /nfs/dbraw/zinc/18/63/17/500186317.db2.gz WUOIMSILQDOQOI-UCLAIMLFSA-N 2 1 355.486 3.058 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000417870428 500188073 /nfs/dbraw/zinc/18/80/73/500188073.db2.gz FXXVAQKMPZVZDJ-PXNSSMCTSA-N 2 1 360.546 3.187 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872088 500188131 /nfs/dbraw/zinc/18/81/31/500188131.db2.gz IIEAVLCFRRRVPY-LAUBAEHRSA-N 2 1 368.525 3.117 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000417881812 500190776 /nfs/dbraw/zinc/19/07/76/500190776.db2.gz RJDMRPJPULENAR-GHTZIAJQSA-N 2 1 374.573 3.496 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417887144 500192190 /nfs/dbraw/zinc/19/21/90/500192190.db2.gz WRGGXEHGVIIEEP-LEWJYISDSA-N 2 1 372.557 3.060 20 0 FGADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccccc1 ZINC000430111003 500194488 /nfs/dbraw/zinc/19/44/88/500194488.db2.gz MXDVQLIRELMIHD-GOSISDBHSA-N 2 1 353.514 3.200 20 0 FGADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccccc1 ZINC000430111003 500194489 /nfs/dbraw/zinc/19/44/89/500194489.db2.gz MXDVQLIRELMIHD-GOSISDBHSA-N 2 1 353.514 3.200 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418008615 500213764 /nfs/dbraw/zinc/21/37/64/500213764.db2.gz RLJXGGBABNBWBB-HOTGVXAUSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418008615 500213765 /nfs/dbraw/zinc/21/37/65/500213765.db2.gz RLJXGGBABNBWBB-HOTGVXAUSA-N 2 1 370.900 3.039 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H](Cc2cccnc2)c2cccc(Cl)c2)CC1 ZINC000425952407 500216044 /nfs/dbraw/zinc/21/60/44/500216044.db2.gz HGYAFLGCLAHJJM-NRFANRHFSA-N 2 1 373.928 3.455 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1Cl ZINC000422130884 500217932 /nfs/dbraw/zinc/21/79/32/500217932.db2.gz BKSISAJJRAQHBH-JMLCCBQJSA-N 2 1 366.937 3.115 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150119 500237490 /nfs/dbraw/zinc/23/74/90/500237490.db2.gz CDXKXLLXAUJZOS-FXAWDEMLSA-N 2 1 372.557 3.056 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000418164486 500240452 /nfs/dbraw/zinc/24/04/52/500240452.db2.gz WYVVDSXGJOPBNS-HOJAQTOUSA-N 2 1 372.557 3.056 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418166074 500240492 /nfs/dbraw/zinc/24/04/92/500240492.db2.gz YWFVYJCAIZVTTM-MJGOQNOKSA-N 2 1 360.546 3.104 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418233513 500253841 /nfs/dbraw/zinc/25/38/41/500253841.db2.gz ISFXEAZSWPJCAC-AZUAARDMSA-N 2 1 360.546 3.105 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418402041 500272453 /nfs/dbraw/zinc/27/24/53/500272453.db2.gz ARDHSHKQEZRIKS-RLLQIKCJSA-N 2 1 364.578 3.190 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426455947 500273967 /nfs/dbraw/zinc/27/39/67/500273967.db2.gz VFOGIGDHIJJMKB-OAQYLSRUSA-N 2 1 355.526 3.306 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418429678 500275575 /nfs/dbraw/zinc/27/55/75/500275575.db2.gz SKCHWUYXZIAPKZ-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1)[NH+]1CCOCC1 ZINC000430726217 500276018 /nfs/dbraw/zinc/27/60/18/500276018.db2.gz UMZOQAOCNLGVHY-NSISKUIASA-N 2 1 359.514 3.316 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000430730950 500276521 /nfs/dbraw/zinc/27/65/21/500276521.db2.gz UIPOPPPWYKNFQW-IERDGZPVSA-N 2 1 367.493 3.037 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418441109 500277335 /nfs/dbraw/zinc/27/73/35/500277335.db2.gz HWPDXILPSPXULV-GOSISDBHSA-N 2 1 366.937 3.075 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418441109 500277338 /nfs/dbraw/zinc/27/73/38/500277338.db2.gz HWPDXILPSPXULV-GOSISDBHSA-N 2 1 366.937 3.075 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418461669 500280092 /nfs/dbraw/zinc/28/00/92/500280092.db2.gz JFBPMAYXMADVBS-PKOBYXMFSA-N 2 1 352.567 3.190 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418476443 500280989 /nfs/dbraw/zinc/28/09/89/500280989.db2.gz WUQDUWMAHDTZDJ-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486402 500282493 /nfs/dbraw/zinc/28/24/93/500282493.db2.gz JJUBWVKXYYCWEQ-HBGVWJBISA-N 2 1 368.525 3.211 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000430768999 500282900 /nfs/dbraw/zinc/28/29/00/500282900.db2.gz RBOBPGUYPOQYSF-YADHBBJMSA-N 2 1 370.562 3.392 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000430768999 500282901 /nfs/dbraw/zinc/28/29/01/500282901.db2.gz RBOBPGUYPOQYSF-YADHBBJMSA-N 2 1 370.562 3.392 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000418530077 500287834 /nfs/dbraw/zinc/28/78/34/500287834.db2.gz VHLHCNUNOPEAGK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422745363 500292814 /nfs/dbraw/zinc/29/28/14/500292814.db2.gz UWVWOFBKLGIZRN-RJGXRXQPSA-N 2 1 371.569 3.165 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745462 500293381 /nfs/dbraw/zinc/29/33/81/500293381.db2.gz VEMVSQWKBXMQCF-GGAORHGYSA-N 3 1 365.521 3.484 20 0 FGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745462 500293384 /nfs/dbraw/zinc/29/33/84/500293384.db2.gz VEMVSQWKBXMQCF-GGAORHGYSA-N 2 1 365.521 3.484 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745462 500293385 /nfs/dbraw/zinc/29/33/85/500293385.db2.gz VEMVSQWKBXMQCF-GGAORHGYSA-N 2 1 365.521 3.484 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590906 500294536 /nfs/dbraw/zinc/29/45/36/500294536.db2.gz UGLYKWSCXFRQRQ-PKOBYXMFSA-N 2 1 370.541 3.086 20 0 FGADMP CC[C@H]([NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC)[C@@H]1CCC[NH2+]1 ZINC000422822664 500302564 /nfs/dbraw/zinc/30/25/64/500302564.db2.gz KMMIUMUVSYVSCJ-GJZGRUSLSA-N 2 1 353.894 3.106 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1Br ZINC000422833958 500303386 /nfs/dbraw/zinc/30/33/86/500303386.db2.gz HFPXUVMWGHBCQR-NEPJUHHUSA-N 2 1 350.260 3.375 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422834540 500303537 /nfs/dbraw/zinc/30/35/37/500303537.db2.gz ZTGAOUHPMLCYDW-HZPDHXFCSA-N 2 1 359.857 3.412 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422852786 500305804 /nfs/dbraw/zinc/30/58/04/500305804.db2.gz BHVSGWWIFCXLHI-JENIJYKNSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873644 500308922 /nfs/dbraw/zinc/30/89/22/500308922.db2.gz AVOWLUDHUZJMDP-MXKPZRPRSA-N 2 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873644 500308923 /nfs/dbraw/zinc/30/89/23/500308923.db2.gz AVOWLUDHUZJMDP-MXKPZRPRSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873644 500308925 /nfs/dbraw/zinc/30/89/25/500308925.db2.gz AVOWLUDHUZJMDP-MXKPZRPRSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430932326 500309125 /nfs/dbraw/zinc/30/91/25/500309125.db2.gz DZMUFHBPDSURGG-OXFYSEKESA-N 2 1 357.523 3.013 20 0 FGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884145 500310449 /nfs/dbraw/zinc/31/04/49/500310449.db2.gz WIFAIPAXOWBTBT-WMLDXEAASA-N 2 1 367.331 3.085 20 0 FGADMP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888177 500310900 /nfs/dbraw/zinc/31/09/00/500310900.db2.gz MJSGNGAAVJUWCN-NJDAHSKKSA-N 2 1 363.590 3.310 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418716625 500311522 /nfs/dbraw/zinc/31/15/22/500311522.db2.gz JGFNRWJMCRUZLD-LEWJYISDSA-N 2 1 372.557 3.058 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418715874 500311925 /nfs/dbraw/zinc/31/19/25/500311925.db2.gz BPOYHTCFPUKGRB-HBMCJLEFSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422893389 500312480 /nfs/dbraw/zinc/31/24/80/500312480.db2.gz QHYGWXCJFHBOSG-RXVVDRJESA-N 2 1 352.526 3.366 20 0 FGADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422930418 500318242 /nfs/dbraw/zinc/31/82/42/500318242.db2.gz UHOYGYBCCAHDHJ-CVEARBPZSA-N 2 1 370.497 3.201 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422937626 500319682 /nfs/dbraw/zinc/31/96/82/500319682.db2.gz OLTBUFMMKLIJNO-USXIJHARSA-N 2 1 353.304 3.468 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418763179 500320180 /nfs/dbraw/zinc/32/01/80/500320180.db2.gz HUOTWGOXBBZXCW-QUCCMNQESA-N 2 1 364.578 3.205 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431004413 500321117 /nfs/dbraw/zinc/32/11/17/500321117.db2.gz QZUYTNAIVUSWOM-RTWAWAEBSA-N 2 1 372.557 3.060 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418788879 500323596 /nfs/dbraw/zinc/32/35/96/500323596.db2.gz LMSPVGSJNMROJC-NJYVYQBISA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000431018981 500324037 /nfs/dbraw/zinc/32/40/37/500324037.db2.gz ZEOMPCWULQLQMW-OVQGTLEDSA-N 2 1 371.525 3.266 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422979811 500326882 /nfs/dbraw/zinc/32/68/82/500326882.db2.gz KJIKTPXHKUMHQN-KBXCAEBGSA-N 2 1 370.884 3.481 20 0 FGADMP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423008114 500330180 /nfs/dbraw/zinc/33/01/80/500330180.db2.gz ZKULJPYAILEGHA-KSZLIROESA-N 2 1 352.544 3.139 20 0 FGADMP C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000423013716 500331170 /nfs/dbraw/zinc/33/11/70/500331170.db2.gz NKBIIZYDSLGFHR-GXFFZTMASA-N 2 1 351.800 3.253 20 0 FGADMP N[C@@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020084 500331460 /nfs/dbraw/zinc/33/14/60/500331460.db2.gz YQTPSKAALGTHBM-DHIUTWEWSA-N 2 1 365.521 3.438 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980427 500341053 /nfs/dbraw/zinc/34/10/53/500341053.db2.gz AHKNERIMXUDEEC-LMNJBCLMSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980427 500341055 /nfs/dbraw/zinc/34/10/55/500341055.db2.gz AHKNERIMXUDEEC-LMNJBCLMSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980427 500341057 /nfs/dbraw/zinc/34/10/57/500341057.db2.gz AHKNERIMXUDEEC-LMNJBCLMSA-N 2 1 355.526 3.030 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423110958 500343952 /nfs/dbraw/zinc/34/39/52/500343952.db2.gz VKXMKQNEFTYIKH-SOLBZPMBSA-N 2 1 352.544 3.442 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1OC ZINC000423146523 500348479 /nfs/dbraw/zinc/34/84/79/500348479.db2.gz ARLNKSWUABMCDE-NVXWUHKLSA-N 2 1 350.503 3.155 20 0 FGADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423169076 500350730 /nfs/dbraw/zinc/35/07/30/500350730.db2.gz YZJBBJIFMWMBEQ-RVKKMQEKSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182899 500352674 /nfs/dbraw/zinc/35/26/74/500352674.db2.gz LYRYSAUJCVATPJ-RDTXWAMCSA-N 2 1 366.347 3.001 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423184707 500352796 /nfs/dbraw/zinc/35/27/96/500352796.db2.gz IMLIEJPEAAINNM-QGZVFWFLSA-N 2 1 369.513 3.442 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000423301296 500362718 /nfs/dbraw/zinc/36/27/18/500362718.db2.gz HDRRBYVOVHTXMJ-MRXNPFEDSA-N 2 1 355.457 3.194 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000423301296 500362719 /nfs/dbraw/zinc/36/27/19/500362719.db2.gz HDRRBYVOVHTXMJ-MRXNPFEDSA-N 2 1 355.457 3.194 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423383816 500369082 /nfs/dbraw/zinc/36/90/82/500369082.db2.gz PQARVHDEIMIWQX-HXUWFJFHSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(I)c1 ZINC000423394061 500370633 /nfs/dbraw/zinc/37/06/33/500370633.db2.gz ZJQVPPWJADRQLP-SCVCMEIPSA-N 2 1 362.230 3.221 20 0 FGADMP C[N@@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000423436615 500374917 /nfs/dbraw/zinc/37/49/17/500374917.db2.gz PXSGGOFUUWFDIL-IBGZPJMESA-N 2 1 357.473 3.100 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277638 500376959 /nfs/dbraw/zinc/37/69/59/500376959.db2.gz YNXHYJFCEGMIJQ-RBUKOAKNSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423506923 500379958 /nfs/dbraw/zinc/37/99/58/500379958.db2.gz JAWKRWDGAYNUOD-ZLPCBKJTSA-N 2 1 369.475 3.442 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423515541 500381180 /nfs/dbraw/zinc/38/11/80/500381180.db2.gz AEHLVYNVQXEYMF-XPSJVXEXSA-N 2 1 372.509 3.043 20 0 FGADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000423525875 500382407 /nfs/dbraw/zinc/38/24/07/500382407.db2.gz YSXPPDQSGNAHPY-LBXVMSDZSA-N 2 1 351.485 3.468 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000570546045 506192570 /nfs/dbraw/zinc/19/25/70/506192570.db2.gz VILJNXOFARXORG-QUCCMNQESA-N 2 1 368.456 3.038 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423811141 500404318 /nfs/dbraw/zinc/40/43/18/500404318.db2.gz BRVGKBXAURJCTC-XFUTXVRSSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423811141 500404320 /nfs/dbraw/zinc/40/43/20/500404320.db2.gz BRVGKBXAURJCTC-XFUTXVRSSA-N 2 1 361.917 3.122 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423826032 500406548 /nfs/dbraw/zinc/40/65/48/500406548.db2.gz OBIUGWOBPQVWRP-RTWAWAEBSA-N 2 1 351.494 3.200 20 0 FGADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420295832 500435712 /nfs/dbraw/zinc/43/57/12/500435712.db2.gz AXPQIQOHUPDNRF-LLVKDONJSA-N 2 1 363.811 3.229 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@H]12 ZINC000420301454 500437416 /nfs/dbraw/zinc/43/74/16/500437416.db2.gz DUOLAVALFHXYOG-NMLACTOBSA-N 2 1 353.441 3.175 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@H]12 ZINC000420301454 500437420 /nfs/dbraw/zinc/43/74/20/500437420.db2.gz DUOLAVALFHXYOG-NMLACTOBSA-N 2 1 353.441 3.175 20 0 FGADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320255 500440844 /nfs/dbraw/zinc/44/08/44/500440844.db2.gz BCKQOAJZEKOTFM-LEWJYISDSA-N 2 1 351.494 3.482 20 0 FGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000420330050 500442412 /nfs/dbraw/zinc/44/24/12/500442412.db2.gz PIWKTOLMJWQDGI-INIZCTEOSA-N 2 1 352.906 3.315 20 0 FGADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000420330050 500442414 /nfs/dbraw/zinc/44/24/14/500442414.db2.gz PIWKTOLMJWQDGI-INIZCTEOSA-N 2 1 352.906 3.315 20 0 FGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341000 500444942 /nfs/dbraw/zinc/44/49/42/500444942.db2.gz POYXIWKNKBJUAG-BMFZPTHFSA-N 2 1 360.889 3.306 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369690 500449638 /nfs/dbraw/zinc/44/96/38/500449638.db2.gz BYYTZJORPQONHM-FZMZJTMJSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369690 500449641 /nfs/dbraw/zinc/44/96/41/500449641.db2.gz BYYTZJORPQONHM-FZMZJTMJSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420385658 500452868 /nfs/dbraw/zinc/45/28/68/500452868.db2.gz UCVPEVUWTZUJSS-LQWHRVPQSA-N 2 1 365.521 3.197 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420385658 500452870 /nfs/dbraw/zinc/45/28/70/500452870.db2.gz UCVPEVUWTZUJSS-LQWHRVPQSA-N 2 1 365.521 3.197 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388112 500453654 /nfs/dbraw/zinc/45/36/54/500453654.db2.gz WQJZCZQONIMRPT-HNNXBMFYSA-N 2 1 365.934 3.210 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408238 500457044 /nfs/dbraw/zinc/45/70/44/500457044.db2.gz VWUJFIRJYDZWIE-SUMWQHHRSA-N 2 1 353.869 3.272 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604195 506197055 /nfs/dbraw/zinc/19/70/55/506197055.db2.gz NTSUPCFDFQXMLJ-OAQYLSRUSA-N 2 1 355.526 3.134 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270828 500478756 /nfs/dbraw/zinc/47/87/56/500478756.db2.gz OFWVCVZXBXEXFE-POHUPDAJSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270828 500478758 /nfs/dbraw/zinc/47/87/58/500478758.db2.gz OFWVCVZXBXEXFE-POHUPDAJSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270830 500479283 /nfs/dbraw/zinc/47/92/83/500479283.db2.gz OFWVCVZXBXEXFE-PPGORRQASA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270830 500479286 /nfs/dbraw/zinc/47/92/86/500479286.db2.gz OFWVCVZXBXEXFE-PPGORRQASA-N 2 1 360.542 3.489 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(c3nc4cc(C)cc(C)c4o3)CC2)CC1 ZINC000420625035 500479476 /nfs/dbraw/zinc/47/94/76/500479476.db2.gz KAHQLKPYBPLHOQ-UHFFFAOYSA-N 2 1 356.514 3.441 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(c3nc4cc(C)cc(C)c4o3)CC2)CC1 ZINC000420625035 500479477 /nfs/dbraw/zinc/47/94/77/500479477.db2.gz KAHQLKPYBPLHOQ-UHFFFAOYSA-N 2 1 356.514 3.441 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424285991 500481969 /nfs/dbraw/zinc/48/19/69/500481969.db2.gz GPHOZNHVLJOXDE-MRXNPFEDSA-N 2 1 368.500 3.464 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432249556 500489147 /nfs/dbraw/zinc/48/91/47/500489147.db2.gz FXGCWPOVOXXUBD-UHFFFAOYSA-N 2 1 362.320 3.496 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420774172 500497319 /nfs/dbraw/zinc/49/73/19/500497319.db2.gz BZWFLEYLTMUIIT-UHFFFAOYSA-N 2 1 360.546 3.199 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000420782088 500500115 /nfs/dbraw/zinc/50/01/15/500500115.db2.gz QHTWQNCPNPUCSR-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@@H+]3C)cc2)C1 ZINC000420782088 500500120 /nfs/dbraw/zinc/50/01/20/500500120.db2.gz QHTWQNCPNPUCSR-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)C1 ZINC000420782088 500500123 /nfs/dbraw/zinc/50/01/23/500500123.db2.gz QHTWQNCPNPUCSR-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000432341579 500501574 /nfs/dbraw/zinc/50/15/74/500501574.db2.gz BDSLQGOWTBHWHZ-SJORKVTESA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000432341579 500501576 /nfs/dbraw/zinc/50/15/76/500501576.db2.gz BDSLQGOWTBHWHZ-SJORKVTESA-N 2 1 369.513 3.415 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](OCC3CC3)C2)CC1 ZINC000428383257 500503229 /nfs/dbraw/zinc/50/32/29/500503229.db2.gz UWNQAZUHBNTGSN-NRFANRHFSA-N 2 1 357.542 3.220 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424430912 500503972 /nfs/dbraw/zinc/50/39/72/500503972.db2.gz DVPAFHYBGNTXHB-LAUBAEHRSA-N 2 1 366.509 3.486 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424433130 500504733 /nfs/dbraw/zinc/50/47/33/500504733.db2.gz IDPBTXSDCMNAES-HXUWFJFHSA-N 2 1 352.482 3.192 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424435635 500505100 /nfs/dbraw/zinc/50/51/00/500505100.db2.gz LJDAVNMSDTVZCU-LJQANCHMSA-N 2 1 366.509 3.440 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2)CCCO1 ZINC000432364945 500505418 /nfs/dbraw/zinc/50/54/18/500505418.db2.gz OJORBXGVSZBHBY-CYBMUJFWSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Br)c(F)c2)CCCO1 ZINC000432364945 500505421 /nfs/dbraw/zinc/50/54/21/500505421.db2.gz OJORBXGVSZBHBY-CYBMUJFWSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[N@H+]3CCCO[C@@H](C)C3)CC2)C1 ZINC000432416956 500513568 /nfs/dbraw/zinc/51/35/68/500513568.db2.gz JSCHGIHDGOUFJB-SVFBPWRDSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420893464 500524092 /nfs/dbraw/zinc/52/40/92/500524092.db2.gz FBYZMWVRNLZWAP-PELRDEGISA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420922455 500531325 /nfs/dbraw/zinc/53/13/25/500531325.db2.gz OFTDKYASIPDDJH-AVRDEDQJSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420922455 500531327 /nfs/dbraw/zinc/53/13/27/500531327.db2.gz OFTDKYASIPDDJH-AVRDEDQJSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420941631 500536925 /nfs/dbraw/zinc/53/69/25/500536925.db2.gz TWNQTMDYPGZBKE-ZRCGQRJVSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420941631 500536928 /nfs/dbraw/zinc/53/69/28/500536928.db2.gz TWNQTMDYPGZBKE-ZRCGQRJVSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000420982341 500547519 /nfs/dbraw/zinc/54/75/19/500547519.db2.gz ZQUWSGJNLYHMBY-IERDGZPVSA-N 2 1 372.534 3.372 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000576631492 506202755 /nfs/dbraw/zinc/20/27/55/506202755.db2.gz OFSWESOYJSSXRJ-IEBWSBKVSA-N 2 1 363.505 3.395 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC2(C)CCC2)CC1)Cc1ccccc1 ZINC000432819735 500567392 /nfs/dbraw/zinc/56/73/92/500567392.db2.gz HCWMTJACSCCCRP-UHFFFAOYSA-N 2 1 357.542 3.137 20 0 FGADMP CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000442244138 500575351 /nfs/dbraw/zinc/57/53/51/500575351.db2.gz SKQWENJRHRPFQO-XVAXZDLZSA-N 2 1 372.557 3.023 20 0 FGADMP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC2(CCC2)C1 ZINC000433057152 500615370 /nfs/dbraw/zinc/61/53/70/500615370.db2.gz GEBXHJNSBSQFAS-NJDAHSKKSA-N 2 1 354.538 3.429 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761805 500622273 /nfs/dbraw/zinc/62/22/73/500622273.db2.gz YTFCPKVRZVSYBJ-ZIFCJYIRSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761805 500622277 /nfs/dbraw/zinc/62/22/77/500622277.db2.gz YTFCPKVRZVSYBJ-ZIFCJYIRSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783608 500625531 /nfs/dbraw/zinc/62/55/31/500625531.db2.gz QFOSKTVCFZUPQG-QINHECLXSA-N 2 1 357.523 3.013 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589072 500629906 /nfs/dbraw/zinc/62/99/06/500629906.db2.gz WWEWCFQJZGAWSL-KJJMTIBFSA-N 2 1 370.537 3.500 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000442920385 500647764 /nfs/dbraw/zinc/64/77/64/500647764.db2.gz LFHGFDDGQUJHFY-AWEZNQCLSA-N 2 1 363.303 3.196 20 0 FGADMP C[C@@H]1CCN(C(=O)CN(C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000437480002 500649153 /nfs/dbraw/zinc/64/91/53/500649153.db2.gz FFTPCFCJPAHFNH-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000437480002 500649155 /nfs/dbraw/zinc/64/91/55/500649155.db2.gz FFTPCFCJPAHFNH-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000437480002 500649157 /nfs/dbraw/zinc/64/91/57/500649157.db2.gz FFTPCFCJPAHFNH-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000437480002 500649161 /nfs/dbraw/zinc/64/91/61/500649161.db2.gz FFTPCFCJPAHFNH-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000443064487 500672194 /nfs/dbraw/zinc/67/21/94/500672194.db2.gz YIOFJUNTZBKWHS-LJQANCHMSA-N 2 1 365.521 3.295 20 0 FGADMP O=C(NCc1ccn2ccnc2c1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000443077934 500676252 /nfs/dbraw/zinc/67/62/52/500676252.db2.gz VJKYDPSVCWCNGY-NFBKMPQASA-N 2 1 374.488 3.253 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776803 500693610 /nfs/dbraw/zinc/69/36/10/500693610.db2.gz PXYYIDPNUWQEAU-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437776803 500693614 /nfs/dbraw/zinc/69/36/14/500693614.db2.gz PXYYIDPNUWQEAU-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437776803 500693616 /nfs/dbraw/zinc/69/36/16/500693616.db2.gz PXYYIDPNUWQEAU-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447982215 500701052 /nfs/dbraw/zinc/70/10/52/500701052.db2.gz JJWBSPPPHYOIHF-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447982215 500701053 /nfs/dbraw/zinc/70/10/53/500701053.db2.gz JJWBSPPPHYOIHF-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447982215 500701056 /nfs/dbraw/zinc/70/10/56/500701056.db2.gz JJWBSPPPHYOIHF-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000433592681 500717895 /nfs/dbraw/zinc/71/78/95/500717895.db2.gz USJPMRPMSAMSGC-FPOVZHCZSA-N 2 1 360.546 3.254 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000570656002 506210728 /nfs/dbraw/zinc/21/07/28/506210728.db2.gz WSOZQEQEVIWAMJ-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000570656002 506210730 /nfs/dbraw/zinc/21/07/30/506210730.db2.gz WSOZQEQEVIWAMJ-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000570656002 506210732 /nfs/dbraw/zinc/21/07/32/506210732.db2.gz WSOZQEQEVIWAMJ-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448247281 500738316 /nfs/dbraw/zinc/73/83/16/500738316.db2.gz DISVRRYXAXOCQM-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448247281 500738320 /nfs/dbraw/zinc/73/83/20/500738320.db2.gz DISVRRYXAXOCQM-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448247281 500738321 /nfs/dbraw/zinc/73/83/21/500738321.db2.gz DISVRRYXAXOCQM-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000438213216 500755560 /nfs/dbraw/zinc/75/55/60/500755560.db2.gz IRCMORKNJMHTBW-UNMCSNQZSA-N 2 1 357.542 3.029 20 0 FGADMP C[C@H](CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716193 506215055 /nfs/dbraw/zinc/21/50/55/506215055.db2.gz BYMBNKVNYRBKNF-SBHAEUEKSA-N 2 1 371.569 3.429 20 0 FGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3nccn3C)CC2)C1 ZINC000433952221 500770664 /nfs/dbraw/zinc/77/06/64/500770664.db2.gz WKDCSDTVZBADIT-LEAZDLGRSA-N 2 1 360.546 3.273 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000438344371 500773596 /nfs/dbraw/zinc/77/35/96/500773596.db2.gz GZYQDZGMEULNLB-PMACEKPBSA-N 2 1 362.562 3.053 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438571824 500802813 /nfs/dbraw/zinc/80/28/13/500802813.db2.gz BFKPROQUCDEGNR-NHCUHLMSSA-N 2 1 355.526 3.347 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2sccc21 ZINC000434189673 500809016 /nfs/dbraw/zinc/80/90/16/500809016.db2.gz OFSMSPGCJFIHLZ-AEFFLSMTSA-N 2 1 363.571 3.043 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000438834246 500824432 /nfs/dbraw/zinc/82/44/32/500824432.db2.gz ZUUKNWOIFGKSEV-JXFKEZNVSA-N 2 1 368.525 3.031 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829992 500824680 /nfs/dbraw/zinc/82/46/80/500824680.db2.gz SWJBPNSIPRXERV-UGGKCQTMSA-N 2 1 360.542 3.053 20 0 FGADMP C[C@H]([C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000438839808 500825181 /nfs/dbraw/zinc/82/51/81/500825181.db2.gz VXAFBPDZNFRJCO-LAXGTINGSA-N 2 1 359.558 3.128 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434355649 500830905 /nfs/dbraw/zinc/83/09/05/500830905.db2.gz PBVBIUUGEYXIMQ-RTBURBONSA-N 2 1 374.529 3.123 20 0 FGADMP C[C@@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1 ZINC000434696762 500880697 /nfs/dbraw/zinc/88/06/97/500880697.db2.gz HUAHRPNUTVFEOT-HTAPYJJXSA-N 2 1 361.489 3.476 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)CCOc2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434728553 500884113 /nfs/dbraw/zinc/88/41/13/500884113.db2.gz SJMLAKYYIYVVPH-GHTZIAJQSA-N 2 1 356.514 3.204 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000439327891 500885415 /nfs/dbraw/zinc/88/54/15/500885415.db2.gz LFHNWYOIRAPONQ-AZUAARDMSA-N 2 1 357.542 3.244 20 0 FGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449033946 500906245 /nfs/dbraw/zinc/90/62/45/500906245.db2.gz BIVQGDZNFKPJTG-PGRDOPGGSA-N 2 1 367.537 3.306 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449033946 500906246 /nfs/dbraw/zinc/90/62/46/500906246.db2.gz BIVQGDZNFKPJTG-PGRDOPGGSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444845290 500909822 /nfs/dbraw/zinc/90/98/22/500909822.db2.gz GDRJXIOLQWHYCB-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444845290 500909826 /nfs/dbraw/zinc/90/98/26/500909826.db2.gz GDRJXIOLQWHYCB-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063302 500915055 /nfs/dbraw/zinc/91/50/55/500915055.db2.gz OVCHPXCWHAKIJN-IRXDYDNUSA-N 2 1 352.544 3.048 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449091488 500922809 /nfs/dbraw/zinc/92/28/09/500922809.db2.gz JTHVRWHGOHMOAK-CQSZACIVSA-N 2 1 358.267 3.113 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[nH]c1C ZINC000449095760 500924262 /nfs/dbraw/zinc/92/42/62/500924262.db2.gz ATUIIOBJKILJRV-UHFFFAOYSA-N 2 1 370.428 3.423 20 0 FGADMP O[C@@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000449160605 500937457 /nfs/dbraw/zinc/93/74/57/500937457.db2.gz BYNKWFCXWBYWHF-IQWMQGJTSA-N 2 1 372.553 3.483 20 0 FGADMP O[C@@]1(C[NH2+]C2CCC(OC3CCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449160605 500937459 /nfs/dbraw/zinc/93/74/59/500937459.db2.gz BYNKWFCXWBYWHF-IQWMQGJTSA-N 2 1 372.553 3.483 20 0 FGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000449159775 500937478 /nfs/dbraw/zinc/93/74/78/500937478.db2.gz IQLWCLPTIXMLNX-UHFFFAOYSA-N 2 1 353.470 3.121 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168535 500939542 /nfs/dbraw/zinc/93/95/42/500939542.db2.gz DQSTXRZNDULIIK-VQIMIIECSA-N 2 1 364.555 3.048 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168535 500939547 /nfs/dbraw/zinc/93/95/47/500939547.db2.gz DQSTXRZNDULIIK-VQIMIIECSA-N 2 1 364.555 3.048 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435379801 500963435 /nfs/dbraw/zinc/96/34/35/500963435.db2.gz NNTYZXGIDJXNMW-IOMROCGXSA-N 2 1 365.477 3.117 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435387662 500965741 /nfs/dbraw/zinc/96/57/41/500965741.db2.gz AYEUMGCDEYNJDG-DZFGPLHGSA-N 2 1 359.477 3.103 20 0 FGADMP c1cn(-c2ccc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2)cn1 ZINC000435392762 500966668 /nfs/dbraw/zinc/96/66/68/500966668.db2.gz XMZSROWRICKTPL-NRFANRHFSA-N 2 1 361.493 3.412 20 0 FGADMP c1cn(-c2ccc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2)cn1 ZINC000435392762 500966670 /nfs/dbraw/zinc/96/66/70/500966670.db2.gz XMZSROWRICKTPL-NRFANRHFSA-N 3 1 361.493 3.412 20 0 FGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1=O ZINC000449291864 500968819 /nfs/dbraw/zinc/96/88/19/500968819.db2.gz ODAYUMNREMACGD-GOSISDBHSA-N 2 1 353.510 3.053 20 0 FGADMP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435447734 500979417 /nfs/dbraw/zinc/97/94/17/500979417.db2.gz QXFVIEIRGZRMKL-AWEZNQCLSA-N 2 1 369.303 3.184 20 0 FGADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197898 500986372 /nfs/dbraw/zinc/98/63/72/500986372.db2.gz WVKGLCVVNPEBAF-SOAISFHBSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCC[N@H+]2CCCO)CC1 ZINC000449387944 500991566 /nfs/dbraw/zinc/99/15/66/500991566.db2.gz NPLBMMGLBSBECR-LJQANCHMSA-N 2 1 353.595 3.102 20 0 FGADMP COc1ccc(CC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690616 501012452 /nfs/dbraw/zinc/01/24/52/501012452.db2.gz BKUZFGDRLGVYRR-SFHVURJKSA-N 2 1 357.523 3.339 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1SC ZINC000435697093 501014123 /nfs/dbraw/zinc/01/41/23/501014123.db2.gz MKBMDCNBNVQCFQ-HNNXBMFYSA-N 2 1 367.534 3.036 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491806 501016567 /nfs/dbraw/zinc/01/65/67/501016567.db2.gz AMISXVDJJSPEBQ-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491806 501016570 /nfs/dbraw/zinc/01/65/70/501016570.db2.gz AMISXVDJJSPEBQ-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491806 501016572 /nfs/dbraw/zinc/01/65/72/501016572.db2.gz AMISXVDJJSPEBQ-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491806 501016579 /nfs/dbraw/zinc/01/65/79/501016579.db2.gz AMISXVDJJSPEBQ-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000449557567 501032988 /nfs/dbraw/zinc/03/29/88/501032988.db2.gz UZNZMRBFURXMHP-WOIUINJBSA-N 2 1 371.569 3.200 20 0 FGADMP COC(=O)CC1(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000440799893 501049500 /nfs/dbraw/zinc/04/95/00/501049500.db2.gz MZTVDGFFEOBSBH-JOCHJYFZSA-N 2 1 356.510 3.318 20 0 FGADMP COC(=O)CC1(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000440799893 501049503 /nfs/dbraw/zinc/04/95/03/501049503.db2.gz MZTVDGFFEOBSBH-JOCHJYFZSA-N 2 1 356.510 3.318 20 0 FGADMP COC(=O)CC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC1 ZINC000440799893 501049507 /nfs/dbraw/zinc/04/95/07/501049507.db2.gz MZTVDGFFEOBSBH-JOCHJYFZSA-N 2 1 356.510 3.318 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC1 ZINC000440799893 501049508 /nfs/dbraw/zinc/04/95/08/501049508.db2.gz MZTVDGFFEOBSBH-JOCHJYFZSA-N 2 1 356.510 3.318 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C ZINC000440883010 501060013 /nfs/dbraw/zinc/06/00/13/501060013.db2.gz XNMIELJFWAXEFU-FQEVSTJZSA-N 2 1 371.529 3.272 20 0 FGADMP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282577 501101839 /nfs/dbraw/zinc/10/18/39/501101839.db2.gz HKYJQGNAFBRNOE-AZUAARDMSA-N 2 1 357.542 3.267 20 0 FGADMP c1cncc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000436288093 501102583 /nfs/dbraw/zinc/10/25/83/501102583.db2.gz UVRNHYBKBGZGIX-JOCHJYFZSA-N 2 1 356.558 3.433 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000441287929 501114559 /nfs/dbraw/zinc/11/45/59/501114559.db2.gz RYQJEZQMTFEEND-ZWKOTPCHSA-N 2 1 362.562 3.100 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441345523 501124265 /nfs/dbraw/zinc/12/42/65/501124265.db2.gz HDDTWTJKSAEJRU-UHFFFAOYSA-N 2 1 369.557 3.111 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1(C)C ZINC000441387613 501131682 /nfs/dbraw/zinc/13/16/82/501131682.db2.gz QKOMEUNPYKYHJX-UHFFFAOYSA-N 2 1 363.452 3.340 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC1CC(F)(F)C1 ZINC000450059042 501167389 /nfs/dbraw/zinc/16/73/89/501167389.db2.gz JCOMZRYDJLCXSS-UHFFFAOYSA-N 2 1 371.516 3.077 20 0 FGADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000446840434 501171844 /nfs/dbraw/zinc/17/18/44/501171844.db2.gz YYRHHMWQJJAKCS-NQIIRXRSSA-N 2 1 371.529 3.128 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C[C@@H](C)O1 ZINC000450648175 501175486 /nfs/dbraw/zinc/17/54/86/501175486.db2.gz KBECGNRPIVHWMU-KZNAEPCWSA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@](C)(O)C3)c2)C1 ZINC000450646910 501175503 /nfs/dbraw/zinc/17/55/03/501175503.db2.gz AMABJBQYIYCKST-WOJBJXKFSA-N 2 1 366.933 3.034 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000450730514 501195870 /nfs/dbraw/zinc/19/58/70/501195870.db2.gz WSQBLPHITVBZFY-WMZOPIPTSA-N 2 1 364.555 3.223 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000450730514 501195872 /nfs/dbraw/zinc/19/58/72/501195872.db2.gz WSQBLPHITVBZFY-WMZOPIPTSA-N 2 1 364.555 3.223 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450763577 501203424 /nfs/dbraw/zinc/20/34/24/501203424.db2.gz UEDSHYBUYZJFQM-UYAOXDASSA-N 2 1 366.571 3.470 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451014767 501239187 /nfs/dbraw/zinc/23/91/87/501239187.db2.gz DARARUBGRICANW-IBGZPJMESA-N 2 1 369.513 3.120 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451014767 501239188 /nfs/dbraw/zinc/23/91/88/501239188.db2.gz DARARUBGRICANW-IBGZPJMESA-N 2 1 369.513 3.120 20 0 FGADMP COC[C@]1(C)CC[N@@H+](Cc2cccc(C[NH+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251528 /nfs/dbraw/zinc/25/15/28/501251528.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251529 /nfs/dbraw/zinc/25/15/29/501251529.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2cccc(C[N@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201475 501251530 /nfs/dbraw/zinc/25/15/30/501251530.db2.gz KEMHKKDTBFVUKY-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@H](C)n3ccnc32)cc1OC ZINC000453062024 501261325 /nfs/dbraw/zinc/26/13/25/501261325.db2.gz OQCHVBRZSFTFAE-WMZOPIPTSA-N 2 1 372.513 3.408 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCCC1 ZINC000457621547 501269913 /nfs/dbraw/zinc/26/99/13/501269913.db2.gz QCQUSXXRMHUBTG-PZJWPPBQSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181000 501286450 /nfs/dbraw/zinc/28/64/50/501286450.db2.gz QXOYHOZOKXDEMK-LLVKDONJSA-N 2 1 374.241 3.343 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453183496 501287076 /nfs/dbraw/zinc/28/70/76/501287076.db2.gz SKZFFESDHXTDFU-PWRODBHTSA-N 2 1 357.542 3.182 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1=O ZINC000453208531 501291824 /nfs/dbraw/zinc/29/18/24/501291824.db2.gz BYLUZACOOSBVIP-BHDDXSALSA-N 2 1 365.521 3.401 20 0 FGADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@H+]1CCCC[C@@H]1C ZINC000457705953 501291852 /nfs/dbraw/zinc/29/18/52/501291852.db2.gz LNQGSCNFKDQEON-IRXDYDNUSA-N 2 1 366.575 3.084 20 0 FGADMP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530682 501314332 /nfs/dbraw/zinc/31/43/32/501314332.db2.gz IMMYWCSLOXIOED-IFMALSPDSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530682 501314334 /nfs/dbraw/zinc/31/43/34/501314334.db2.gz IMMYWCSLOXIOED-IFMALSPDSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530682 501314335 /nfs/dbraw/zinc/31/43/35/501314335.db2.gz IMMYWCSLOXIOED-IFMALSPDSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@H](c1ccccc1)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530682 501314337 /nfs/dbraw/zinc/31/43/37/501314337.db2.gz IMMYWCSLOXIOED-IFMALSPDSA-N 2 1 357.542 3.404 20 0 FGADMP COc1cccc([C@@H](C)N2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533023 501315093 /nfs/dbraw/zinc/31/50/93/501315093.db2.gz LRMYSLKLVSJRFP-UYAOXDASSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)N2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533023 501315094 /nfs/dbraw/zinc/31/50/94/501315094.db2.gz LRMYSLKLVSJRFP-UYAOXDASSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533023 501315098 /nfs/dbraw/zinc/31/50/98/501315098.db2.gz LRMYSLKLVSJRFP-UYAOXDASSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533023 501315101 /nfs/dbraw/zinc/31/51/01/501315101.db2.gz LRMYSLKLVSJRFP-UYAOXDASSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533023 501315104 /nfs/dbraw/zinc/31/51/04/501315104.db2.gz LRMYSLKLVSJRFP-UYAOXDASSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533023 501315107 /nfs/dbraw/zinc/31/51/07/501315107.db2.gz LRMYSLKLVSJRFP-UYAOXDASSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)N2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533020 501315436 /nfs/dbraw/zinc/31/54/36/501315436.db2.gz LRMYSLKLVSJRFP-AZUAARDMSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)N2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533020 501315439 /nfs/dbraw/zinc/31/54/39/501315439.db2.gz LRMYSLKLVSJRFP-AZUAARDMSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533020 501315442 /nfs/dbraw/zinc/31/54/42/501315442.db2.gz LRMYSLKLVSJRFP-AZUAARDMSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533020 501315445 /nfs/dbraw/zinc/31/54/45/501315445.db2.gz LRMYSLKLVSJRFP-AZUAARDMSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533020 501315446 /nfs/dbraw/zinc/31/54/46/501315446.db2.gz LRMYSLKLVSJRFP-AZUAARDMSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533020 501315449 /nfs/dbraw/zinc/31/54/49/501315449.db2.gz LRMYSLKLVSJRFP-AZUAARDMSA-N 2 1 373.541 3.022 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000451574686 501328781 /nfs/dbraw/zinc/32/87/81/501328781.db2.gz RUXGPSBUOFHTJR-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000451574686 501328784 /nfs/dbraw/zinc/32/87/84/501328784.db2.gz RUXGPSBUOFHTJR-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@@H]1C ZINC000451574686 501328785 /nfs/dbraw/zinc/32/87/85/501328785.db2.gz RUXGPSBUOFHTJR-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482282 506247893 /nfs/dbraw/zinc/24/78/93/506247893.db2.gz YXHDESLHEXQSRM-BVYCBKJFSA-N 2 1 368.521 3.226 20 0 FGADMP CC1(C)C[C@@H](O)CC[NH+](CCCCC[N@@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000451816918 501378744 /nfs/dbraw/zinc/37/87/44/501378744.db2.gz YNYIRGGGUUWKMF-OALUTQOASA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)ccc21 ZINC000455924885 501417123 /nfs/dbraw/zinc/41/71/23/501417123.db2.gz MTMYBHHPQOORRC-NSISKUIASA-N 2 1 356.514 3.184 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc21 ZINC000455936425 501420312 /nfs/dbraw/zinc/42/03/12/501420312.db2.gz RUYDZSJCWLKFSP-DLZDZTESSA-N 2 1 356.514 3.372 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455950533 501424072 /nfs/dbraw/zinc/42/40/72/501424072.db2.gz ZSDAHPKWYCSJMH-HBFSDRIKSA-N 2 1 356.514 3.326 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396857 501435543 /nfs/dbraw/zinc/43/55/43/501435543.db2.gz DCZLDQDXQLQRQD-RBUKOAKNSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456336149 501502302 /nfs/dbraw/zinc/50/23/02/501502302.db2.gz NGJXSDKGAKPELQ-IBGZPJMESA-N 2 1 368.525 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000456336149 501502304 /nfs/dbraw/zinc/50/23/04/501502304.db2.gz NGJXSDKGAKPELQ-IBGZPJMESA-N 2 1 368.525 3.377 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454383619 501529651 /nfs/dbraw/zinc/52/96/51/501529651.db2.gz FRMKUOLZYJSPRP-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000454383619 501529654 /nfs/dbraw/zinc/52/96/54/501529654.db2.gz FRMKUOLZYJSPRP-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000454383619 501529656 /nfs/dbraw/zinc/52/96/56/501529656.db2.gz FRMKUOLZYJSPRP-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680685 501608089 /nfs/dbraw/zinc/60/80/89/501608089.db2.gz ZDSJNNLEZFRWKL-MOPGFXCFSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459273305 501623167 /nfs/dbraw/zinc/62/31/67/501623167.db2.gz YCDLAFFLHICREO-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273305 501623169 /nfs/dbraw/zinc/62/31/69/501623169.db2.gz YCDLAFFLHICREO-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273305 501623170 /nfs/dbraw/zinc/62/31/70/501623170.db2.gz YCDLAFFLHICREO-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760928 501623766 /nfs/dbraw/zinc/62/37/66/501623766.db2.gz DOTQLIZFEWZWHT-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760928 501623769 /nfs/dbraw/zinc/62/37/69/501623769.db2.gz DOTQLIZFEWZWHT-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760928 501623772 /nfs/dbraw/zinc/62/37/72/501623772.db2.gz DOTQLIZFEWZWHT-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459367443 501640044 /nfs/dbraw/zinc/64/00/44/501640044.db2.gz FFQHEBXODBQOCN-UHFFFAOYSA-N 2 1 367.497 3.193 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)[C@@H]1SC ZINC000459400377 501647147 /nfs/dbraw/zinc/64/71/47/501647147.db2.gz HJOQSOVNZDXROP-LMMKCTJWSA-N 2 1 367.559 3.002 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454897794 501651457 /nfs/dbraw/zinc/65/14/57/501651457.db2.gz KEMNWCGYMXOYFS-HXUWFJFHSA-N 2 1 362.562 3.100 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1Br ZINC000459434990 501653491 /nfs/dbraw/zinc/65/34/91/501653491.db2.gz IAOWYZMVYAPDHW-CYBMUJFWSA-N 2 1 353.304 3.433 20 0 FGADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459445713 501655688 /nfs/dbraw/zinc/65/56/88/501655688.db2.gz SIHLZJIHJXYLJT-RTBURBONSA-N 2 1 351.897 3.441 20 0 FGADMP O[C@@H](C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000459459559 501657614 /nfs/dbraw/zinc/65/76/14/501657614.db2.gz DTPGGKMGQMDVNE-OUZREKFBSA-N 2 1 366.505 3.325 20 0 FGADMP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000454960840 501662027 /nfs/dbraw/zinc/66/20/27/501662027.db2.gz MLFVZIIXJKQQPC-FXAWDEMLSA-N 2 1 352.482 3.161 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459728032 501705129 /nfs/dbraw/zinc/70/51/29/501705129.db2.gz CKTZBTJRBPMTHJ-SJORKVTESA-N 2 1 365.949 3.399 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000459730579 501705303 /nfs/dbraw/zinc/70/53/03/501705303.db2.gz DVUOMGUGQVDZMS-CYBMUJFWSA-N 2 1 368.312 3.396 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000457492834 501709615 /nfs/dbraw/zinc/70/96/15/501709615.db2.gz PSEXQKOFIUSBPR-KRWDZBQOSA-N 2 1 364.559 3.059 20 0 FGADMP COC(=O)Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000596120336 506269179 /nfs/dbraw/zinc/26/91/79/506269179.db2.gz QNFBBZJGBVYSCJ-IHWFROFDSA-N 2 1 365.477 3.405 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672187 501761493 /nfs/dbraw/zinc/76/14/93/501761493.db2.gz BRADVQRYFWJSGI-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672187 501761499 /nfs/dbraw/zinc/76/14/99/501761499.db2.gz BRADVQRYFWJSGI-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672187 501761504 /nfs/dbraw/zinc/76/15/04/501761504.db2.gz BRADVQRYFWJSGI-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000467378238 501781931 /nfs/dbraw/zinc/78/19/31/501781931.db2.gz UJGXDGOBWAZJLG-YJBOKZPZSA-N 2 1 358.448 3.463 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300182 501782596 /nfs/dbraw/zinc/78/25/96/501782596.db2.gz XRSZIZZAUHZXBJ-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300182 501782600 /nfs/dbraw/zinc/78/26/00/501782600.db2.gz XRSZIZZAUHZXBJ-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736890 501787166 /nfs/dbraw/zinc/78/71/66/501787166.db2.gz KXUFGMLUJYGOQJ-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470736890 501787167 /nfs/dbraw/zinc/78/71/67/501787167.db2.gz KXUFGMLUJYGOQJ-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470736890 501787169 /nfs/dbraw/zinc/78/71/69/501787169.db2.gz KXUFGMLUJYGOQJ-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000460373384 501807249 /nfs/dbraw/zinc/80/72/49/501807249.db2.gz DUXVVOJYNNTIDW-YADHBBJMSA-N 2 1 365.521 3.113 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1C ZINC000460379825 501810387 /nfs/dbraw/zinc/81/03/87/501810387.db2.gz KCCFNWJTXHBEES-NRFANRHFSA-N 2 1 353.510 3.236 20 0 FGADMP C[C@H](C(=O)N1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485489550 501835271 /nfs/dbraw/zinc/83/52/71/501835271.db2.gz JNANQVONRKTMTE-HXUWFJFHSA-N 2 1 369.553 3.376 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520466 501848037 /nfs/dbraw/zinc/84/80/37/501848037.db2.gz ISDHUACJDLUNMT-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520466 501848042 /nfs/dbraw/zinc/84/80/42/501848042.db2.gz ISDHUACJDLUNMT-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520466 501848048 /nfs/dbraw/zinc/84/80/48/501848048.db2.gz ISDHUACJDLUNMT-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458776452 501869886 /nfs/dbraw/zinc/86/98/86/501869886.db2.gz NLTSJHTXULOFDN-IEBWSBKVSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474613994 501893870 /nfs/dbraw/zinc/89/38/70/501893870.db2.gz VPNXMLRICPLWBP-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474613994 501893874 /nfs/dbraw/zinc/89/38/74/501893874.db2.gz VPNXMLRICPLWBP-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474613994 501893877 /nfs/dbraw/zinc/89/38/77/501893877.db2.gz VPNXMLRICPLWBP-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474613994 501893881 /nfs/dbraw/zinc/89/38/81/501893881.db2.gz VPNXMLRICPLWBP-HXUWFJFHSA-N 2 1 361.505 3.123 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000467973651 501916899 /nfs/dbraw/zinc/91/68/99/501916899.db2.gz NUVGLEQACXCKCZ-ZVDOUQERSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000474708481 501928084 /nfs/dbraw/zinc/92/80/84/501928084.db2.gz LNQKXKORLHODNE-YQQAZPJKSA-N 2 1 351.922 3.009 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787943 501936831 /nfs/dbraw/zinc/93/68/31/501936831.db2.gz QQVVJCACVGHVAW-DOTOQJQBSA-N 2 1 367.497 3.113 20 0 FGADMP COc1c(Br)cccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000482010817 501946585 /nfs/dbraw/zinc/94/65/85/501946585.db2.gz RQPDMWZUCGRLIO-UHFFFAOYSA-N 2 1 371.319 3.000 20 0 FGADMP Cn1c2cc(Br)ccc2nc1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000485845273 501960342 /nfs/dbraw/zinc/96/03/42/501960342.db2.gz LIBXRSDMQLGXGE-GFCCVEGCSA-N 2 1 374.286 3.439 20 0 FGADMP CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478406978 501970590 /nfs/dbraw/zinc/97/05/90/501970590.db2.gz GHDQMDMORHQXMX-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474878623 501978952 /nfs/dbraw/zinc/97/89/52/501978952.db2.gz KTXWQFCZEYHSKM-INIZCTEOSA-N 2 1 361.921 3.378 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000474892120 501982203 /nfs/dbraw/zinc/98/22/03/501982203.db2.gz QUESNJIZMONDFS-UHFFFAOYSA-N 2 1 366.546 3.123 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000482159035 501993346 /nfs/dbraw/zinc/99/33/46/501993346.db2.gz VYHWNLIHFSBPPX-ICSRJNTNSA-N 2 1 363.521 3.274 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)nn1C ZINC000461098630 502012446 /nfs/dbraw/zinc/01/24/46/502012446.db2.gz PKWRGFIDJGNHJT-SESVDKBCSA-N 2 1 368.525 3.127 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)nn1C ZINC000461098630 502012453 /nfs/dbraw/zinc/01/24/53/502012453.db2.gz PKWRGFIDJGNHJT-SESVDKBCSA-N 2 1 368.525 3.127 20 0 FGADMP Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037315 502029568 /nfs/dbraw/zinc/02/95/68/502029568.db2.gz CSHLLXHTDMRUNB-IFMALSPDSA-N 2 1 365.521 3.203 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093621 502055010 /nfs/dbraw/zinc/05/50/10/502055010.db2.gz HAKRZJBRYPTNDV-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475093621 502055015 /nfs/dbraw/zinc/05/50/15/502055015.db2.gz HAKRZJBRYPTNDV-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475093621 502055021 /nfs/dbraw/zinc/05/50/21/502055021.db2.gz HAKRZJBRYPTNDV-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113240 502063741 /nfs/dbraw/zinc/06/37/41/502063741.db2.gz GBCLQSHWRBYMAO-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475113240 502063748 /nfs/dbraw/zinc/06/37/48/502063748.db2.gz GBCLQSHWRBYMAO-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475113240 502063752 /nfs/dbraw/zinc/06/37/52/502063752.db2.gz GBCLQSHWRBYMAO-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccc2nc(CSCC(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)cn2c1 ZINC000468495534 502081111 /nfs/dbraw/zinc/08/11/11/502081111.db2.gz IHGICDNSFAJENL-KRWDZBQOSA-N 2 1 374.554 3.113 20 0 FGADMP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475163173 502087886 /nfs/dbraw/zinc/08/78/86/502087886.db2.gz FWVDKWUCRSLSSJ-QUCCMNQESA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170325 502088386 /nfs/dbraw/zinc/08/83/86/502088386.db2.gz CGTKTFXKCATMID-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468556869 502104867 /nfs/dbraw/zinc/10/48/67/502104867.db2.gz WXNKPDJFUFLOSJ-GCJKJVERSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468556869 502104868 /nfs/dbraw/zinc/10/48/68/502104868.db2.gz WXNKPDJFUFLOSJ-GCJKJVERSA-N 2 1 356.485 3.373 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468676156 502142851 /nfs/dbraw/zinc/14/28/51/502142851.db2.gz SDRVGQXZNXIUDG-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000479063801 502151299 /nfs/dbraw/zinc/15/12/99/502151299.db2.gz PPFYSZYATYRZGD-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc2cc(F)ccc12 ZINC000475452006 502175750 /nfs/dbraw/zinc/17/57/50/502175750.db2.gz LZBVOBZEMMKZHL-INIZCTEOSA-N 2 1 361.461 3.060 20 0 FGADMP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486557888 502190205 /nfs/dbraw/zinc/19/02/05/502190205.db2.gz AAUVKPMNHLEJIA-WVFSIPRWSA-N 2 1 356.535 3.424 20 0 FGADMP [NH3+]C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227239 502198645 /nfs/dbraw/zinc/19/86/45/502198645.db2.gz SZALSALCEHLMRZ-LEWJYISDSA-N 2 1 369.484 3.039 20 0 FGADMP CC(C)[N@@H+]1C[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000465180154 502208256 /nfs/dbraw/zinc/20/82/56/502208256.db2.gz XIEZJSVYEYYMQW-LNLFQRSKSA-N 2 1 360.546 3.144 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472072554 502219787 /nfs/dbraw/zinc/21/97/87/502219787.db2.gz FIFVAWOVIZMDPE-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3cc4ccc(F)cc4[nH]3)CC2)nc(C)[nH+]1 ZINC000486706527 502238098 /nfs/dbraw/zinc/23/80/98/502238098.db2.gz AOSDKKLUMQHGEL-UHFFFAOYSA-N 2 1 353.445 3.472 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479408852 502249282 /nfs/dbraw/zinc/24/92/82/502249282.db2.gz DSGMSYZGMXCYOV-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268885 /nfs/dbraw/zinc/26/88/85/502268885.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268891 /nfs/dbraw/zinc/26/88/91/502268891.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268893 /nfs/dbraw/zinc/26/88/93/502268893.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268899 /nfs/dbraw/zinc/26/88/99/502268899.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268902 /nfs/dbraw/zinc/26/89/02/502268902.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268907 /nfs/dbraw/zinc/26/89/07/502268907.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468601 502268913 /nfs/dbraw/zinc/26/89/13/502268913.db2.gz YREZBCKAFRYYQI-PMVMPFDFSA-N 3 1 373.585 3.235 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491158 502277157 /nfs/dbraw/zinc/27/71/57/502277157.db2.gz OMMWYERZOBPELU-SFTDATJTSA-N 2 1 372.557 3.195 20 0 FGADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)CC1CCC1 ZINC000483125986 502282486 /nfs/dbraw/zinc/28/24/86/502282486.db2.gz XVOXFUDZYBBYFR-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)CC1CCC1 ZINC000483125986 502282492 /nfs/dbraw/zinc/28/24/92/502282492.db2.gz XVOXFUDZYBBYFR-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)CC1CCC1 ZINC000483125986 502282498 /nfs/dbraw/zinc/28/24/98/502282498.db2.gz XVOXFUDZYBBYFR-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CCn1c(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)nc2cc(F)ccc21 ZINC000472277552 502295935 /nfs/dbraw/zinc/29/59/35/502295935.db2.gz LUBOAMCDGRCDKR-KRWDZBQOSA-N 2 1 362.493 3.128 20 0 FGADMP CCn1c(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)nc2cc(F)ccc21 ZINC000472277552 502295937 /nfs/dbraw/zinc/29/59/37/502295937.db2.gz LUBOAMCDGRCDKR-KRWDZBQOSA-N 2 1 362.493 3.128 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000465559810 502308126 /nfs/dbraw/zinc/30/81/26/502308126.db2.gz BNEDNFIJULNIOI-WAOWUJCRSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000465559810 502308131 /nfs/dbraw/zinc/30/81/31/502308131.db2.gz BNEDNFIJULNIOI-WAOWUJCRSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000465559810 502308137 /nfs/dbraw/zinc/30/81/37/502308137.db2.gz BNEDNFIJULNIOI-WAOWUJCRSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465570641 502311825 /nfs/dbraw/zinc/31/18/25/502311825.db2.gz MWPYGAKCEZCZFW-LVCYWYKZSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465570641 502311830 /nfs/dbraw/zinc/31/18/30/502311830.db2.gz MWPYGAKCEZCZFW-LVCYWYKZSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465570641 502311837 /nfs/dbraw/zinc/31/18/37/502311837.db2.gz MWPYGAKCEZCZFW-LVCYWYKZSA-N 2 1 372.557 3.200 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000462117959 502313096 /nfs/dbraw/zinc/31/30/96/502313096.db2.gz NAMFEVBKXAMNQT-OAHLLOKOSA-N 2 1 357.420 3.238 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000465584510 502316670 /nfs/dbraw/zinc/31/66/70/502316670.db2.gz DOAVLXARLCFVGA-WOJBJXKFSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(CN[C@@H](C)C[NH+]3CCCCCC3)sc2C1 ZINC000479609844 502318106 /nfs/dbraw/zinc/31/81/06/502318106.db2.gz CNHLUSKTHXYLJX-INIZCTEOSA-N 2 1 350.576 3.264 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475902876 502327281 /nfs/dbraw/zinc/32/72/81/502327281.db2.gz XFPUBIOKFHDENK-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465669267 502342100 /nfs/dbraw/zinc/34/21/00/502342100.db2.gz WJUSKEUDBXWUAU-CEXWTWQISA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000462191205 502342495 /nfs/dbraw/zinc/34/24/95/502342495.db2.gz VDTNDGVPLWCKGE-DXIQSLLYSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000462191205 502342497 /nfs/dbraw/zinc/34/24/97/502342497.db2.gz VDTNDGVPLWCKGE-DXIQSLLYSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191205 502342502 /nfs/dbraw/zinc/34/25/02/502342502.db2.gz VDTNDGVPLWCKGE-DXIQSLLYSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191205 502342507 /nfs/dbraw/zinc/34/25/07/502342507.db2.gz VDTNDGVPLWCKGE-DXIQSLLYSA-N 2 1 365.521 3.144 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000479693627 502347298 /nfs/dbraw/zinc/34/72/98/502347298.db2.gz XVBVLGIVXNSFGX-QFIPXVFZSA-N 2 1 365.521 3.424 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686983 506308867 /nfs/dbraw/zinc/30/88/67/506308867.db2.gz JJHJCZQZQIKJPA-RBBKRZOGSA-N 2 1 356.510 3.475 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686983 506308874 /nfs/dbraw/zinc/30/88/74/506308874.db2.gz JJHJCZQZQIKJPA-RBBKRZOGSA-N 2 1 356.510 3.475 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000487142478 502370665 /nfs/dbraw/zinc/37/06/65/502370665.db2.gz USGUHDGOTZLUBA-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465762895 502374855 /nfs/dbraw/zinc/37/48/55/502374855.db2.gz RWEPZYZTFLYKOB-WJXKREEZSA-N 2 1 364.578 3.057 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000472568551 502386447 /nfs/dbraw/zinc/38/64/47/502386447.db2.gz JCBUJMMCYSAYQQ-SFHVURJKSA-N 2 1 371.529 3.151 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000469421104 502410525 /nfs/dbraw/zinc/41/05/25/502410525.db2.gz YLSBVKHNAGXPDB-NRFANRHFSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000469441307 502419538 /nfs/dbraw/zinc/41/95/38/502419538.db2.gz TUJFUAWBWZQXPD-LMNJBCLMSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000469441307 502419543 /nfs/dbraw/zinc/41/95/43/502419543.db2.gz TUJFUAWBWZQXPD-LMNJBCLMSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000469441307 502419547 /nfs/dbraw/zinc/41/95/47/502419547.db2.gz TUJFUAWBWZQXPD-LMNJBCLMSA-N 2 1 372.557 3.067 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469481086 502434154 /nfs/dbraw/zinc/43/41/54/502434154.db2.gz CYASJAVUMUYQAI-CHWSQXEVSA-N 2 1 368.319 3.322 20 0 FGADMP CC(C)[N@@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000469522146 502450828 /nfs/dbraw/zinc/45/08/28/502450828.db2.gz OHEONOOUDXTYMQ-NRFANRHFSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[N@H+]1CCO[C@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000469522146 502450831 /nfs/dbraw/zinc/45/08/31/502450831.db2.gz OHEONOOUDXTYMQ-NRFANRHFSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[NH+]1CCO[C@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000469522146 502450836 /nfs/dbraw/zinc/45/08/36/502450836.db2.gz OHEONOOUDXTYMQ-NRFANRHFSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[NH+]1CCO[C@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000469522146 502450840 /nfs/dbraw/zinc/45/08/40/502450840.db2.gz OHEONOOUDXTYMQ-NRFANRHFSA-N 2 1 373.541 3.499 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000466116024 502481963 /nfs/dbraw/zinc/48/19/63/502481963.db2.gz NBFRGNANCKJVAO-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000588708664 506315881 /nfs/dbraw/zinc/31/58/81/506315881.db2.gz BOJXVBMEJAERIW-ROUUACIJSA-N 2 1 373.541 3.009 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756147 502484352 /nfs/dbraw/zinc/48/43/52/502484352.db2.gz CFWQOAOELZCMNV-MMKMLUHNSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756147 502484355 /nfs/dbraw/zinc/48/43/55/502484355.db2.gz CFWQOAOELZCMNV-MMKMLUHNSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756147 502484360 /nfs/dbraw/zinc/48/43/60/502484360.db2.gz CFWQOAOELZCMNV-MMKMLUHNSA-N 2 1 372.557 3.336 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC000483767198 502486653 /nfs/dbraw/zinc/48/66/53/502486653.db2.gz GAYRENQBBYCMKW-YSIASYRMSA-N 2 1 360.546 3.112 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000473009788 502498395 /nfs/dbraw/zinc/49/83/95/502498395.db2.gz IKRNELYJLNTCPJ-LJQANCHMSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473009788 502498399 /nfs/dbraw/zinc/49/83/99/502498399.db2.gz IKRNELYJLNTCPJ-LJQANCHMSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473009788 502498403 /nfs/dbraw/zinc/49/84/03/502498403.db2.gz IKRNELYJLNTCPJ-LJQANCHMSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483888046 502513781 /nfs/dbraw/zinc/51/37/81/502513781.db2.gz SWXHMWLEMBIISR-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@H](C)C1 ZINC000480280325 502524210 /nfs/dbraw/zinc/52/42/10/502524210.db2.gz UBHVIOWLIBQQKB-NEWSRXKRSA-N 2 1 353.576 3.077 20 0 FGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466300247 502531039 /nfs/dbraw/zinc/53/10/39/502531039.db2.gz UPRDXYVXGXABBR-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850400 502547017 /nfs/dbraw/zinc/54/70/17/502547017.db2.gz KXUMYVRTFWVFMH-OALUTQOASA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850400 502547023 /nfs/dbraw/zinc/54/70/23/502547023.db2.gz KXUMYVRTFWVFMH-OALUTQOASA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850400 502547030 /nfs/dbraw/zinc/54/70/30/502547030.db2.gz KXUMYVRTFWVFMH-OALUTQOASA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487889866 502557455 /nfs/dbraw/zinc/55/74/55/502557455.db2.gz AKAXBQUETVBPTI-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000487922693 502567982 /nfs/dbraw/zinc/56/79/82/502567982.db2.gz XKQFXHNMPRLKEG-PZJWPPBQSA-N 2 1 357.542 3.404 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000469851546 502568283 /nfs/dbraw/zinc/56/82/83/502568283.db2.gz YWERBRJLUVIZLP-GXTWGEPZSA-N 2 1 363.303 3.112 20 0 FGADMP Cc1cc2cc(C[N@H+]3CCC[C@@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857794 502570266 /nfs/dbraw/zinc/57/02/66/502570266.db2.gz XRXZFHNYKWVTPJ-FXAWDEMLSA-N 2 1 369.509 3.130 20 0 FGADMP C[N@@H+](Cc1ccc(OC(F)F)c(Br)c1)CC(C)(C)C[NH3+] ZINC000469859908 502572466 /nfs/dbraw/zinc/57/24/66/502572466.db2.gz QHVMDHJXYIUDAC-UHFFFAOYSA-N 2 1 351.235 3.467 20 0 FGADMP CCOc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(Br)c1OC ZINC000469862456 502573660 /nfs/dbraw/zinc/57/36/60/502573660.db2.gz MMEYDQMGCXZUDU-UHFFFAOYSA-N 2 1 359.308 3.273 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132565 502578102 /nfs/dbraw/zinc/57/81/02/502578102.db2.gz OVOVURJDYQMJCX-XHFZOIRSSA-N 2 1 354.538 3.284 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132565 502578106 /nfs/dbraw/zinc/57/81/06/502578106.db2.gz OVOVURJDYQMJCX-XHFZOIRSSA-N 2 1 354.538 3.284 20 0 FGADMP Cc1ccc(N2CCC([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)[nH+]c1 ZINC000484172575 502592718 /nfs/dbraw/zinc/59/27/18/502592718.db2.gz HYTJLZCYCUGTDS-UHFFFAOYSA-N 2 1 365.525 3.008 20 0 FGADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480613789 502621776 /nfs/dbraw/zinc/62/17/76/502621776.db2.gz QDSSITXNPVFGEB-SFTDATJTSA-N 2 1 357.542 3.379 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463120505 502701330 /nfs/dbraw/zinc/70/13/30/502701330.db2.gz WNBUJTJSTNWARQ-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463120505 502701332 /nfs/dbraw/zinc/70/13/32/502701332.db2.gz WNBUJTJSTNWARQ-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240815 502716252 /nfs/dbraw/zinc/71/62/52/502716252.db2.gz AGDWQCQAYOORDB-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000477240815 502716256 /nfs/dbraw/zinc/71/62/56/502716256.db2.gz AGDWQCQAYOORDB-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000477240815 502716262 /nfs/dbraw/zinc/71/62/62/502716262.db2.gz AGDWQCQAYOORDB-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](c1ccccc1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000463226519 502727787 /nfs/dbraw/zinc/72/77/87/502727787.db2.gz KBARVFNBKKVACI-HXUWFJFHSA-N 2 1 365.521 3.414 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000463226519 502727790 /nfs/dbraw/zinc/72/77/90/502727790.db2.gz KBARVFNBKKVACI-HXUWFJFHSA-N 2 1 365.521 3.414 20 0 FGADMP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473883594 502737405 /nfs/dbraw/zinc/73/74/05/502737405.db2.gz ZVYVLHLFCNIPQE-WIYYLYMNSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470366101 502751530 /nfs/dbraw/zinc/75/15/30/502751530.db2.gz CFMQSJAGZFYPLD-INIZCTEOSA-N 2 1 365.477 3.263 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000481137757 502763750 /nfs/dbraw/zinc/76/37/50/502763750.db2.gz HMCDLRWRCRXBDS-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000481166565 502771000 /nfs/dbraw/zinc/77/10/00/502771000.db2.gz FOADEBGHVLUSRG-PMOQBDJRSA-N 2 1 368.521 3.064 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488642284 502772770 /nfs/dbraw/zinc/77/27/70/502772770.db2.gz IEAGRMPYQHLWRY-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000481175561 502773510 /nfs/dbraw/zinc/77/35/10/502773510.db2.gz WQJVSKIHWXWLRE-TZIWHRDSSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000481175561 502773517 /nfs/dbraw/zinc/77/35/17/502773517.db2.gz WQJVSKIHWXWLRE-TZIWHRDSSA-N 2 1 359.558 3.380 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918745 502775724 /nfs/dbraw/zinc/77/57/24/502775724.db2.gz IRBYNWXBBAXHOU-HFSMHLIXSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918745 502775730 /nfs/dbraw/zinc/77/57/30/502775730.db2.gz IRBYNWXBBAXHOU-HFSMHLIXSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918745 502775731 /nfs/dbraw/zinc/77/57/31/502775731.db2.gz IRBYNWXBBAXHOU-HFSMHLIXSA-N 2 1 357.542 3.375 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962115 502788172 /nfs/dbraw/zinc/78/81/72/502788172.db2.gz LFHORRUKMJUAJF-XERREHJYSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962115 502788176 /nfs/dbraw/zinc/78/81/76/502788176.db2.gz LFHORRUKMJUAJF-XERREHJYSA-N 2 1 371.912 3.215 20 0 FGADMP CC[C@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531042 502806732 /nfs/dbraw/zinc/80/67/32/502806732.db2.gz UFCYTULZMLNSLF-LEWJYISDSA-N 2 1 359.558 3.477 20 0 FGADMP COc1cc([C@@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000504899478 502820696 /nfs/dbraw/zinc/82/06/96/502820696.db2.gz HKLBACFIUXHSLA-IIBYNOLFSA-N 2 1 358.457 3.122 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000504899478 502820701 /nfs/dbraw/zinc/82/07/01/502820701.db2.gz HKLBACFIUXHSLA-IIBYNOLFSA-N 2 1 358.457 3.122 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000495728413 502860891 /nfs/dbraw/zinc/86/08/91/502860891.db2.gz NSZKAQNTJWLOPW-OALUTQOASA-N 2 1 363.571 3.035 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000500840850 502875192 /nfs/dbraw/zinc/87/51/92/502875192.db2.gz VLSDROHAORWXPK-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840850 502875196 /nfs/dbraw/zinc/87/51/96/502875196.db2.gz VLSDROHAORWXPK-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500840850 502875199 /nfs/dbraw/zinc/87/51/99/502875199.db2.gz VLSDROHAORWXPK-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500899596 502889044 /nfs/dbraw/zinc/88/90/44/502889044.db2.gz GUVNHDPLYIQIBJ-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCCCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985378 502905685 /nfs/dbraw/zinc/90/56/85/502905685.db2.gz RUJJJXWAEVAZCQ-WOJBJXKFSA-N 2 1 353.595 3.318 20 0 FGADMP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023698 502914382 /nfs/dbraw/zinc/91/43/82/502914382.db2.gz UNBIUPMITFQCBF-RXVVDRJESA-N 2 1 372.557 3.267 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045895 502921018 /nfs/dbraw/zinc/92/10/18/502921018.db2.gz OFXPEQHMUJEIJR-PMACEKPBSA-N 2 1 360.546 3.161 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049506 502922163 /nfs/dbraw/zinc/92/21/63/502922163.db2.gz JSKCLMHUMKMZGQ-UHFFFAOYSA-N 2 1 356.445 3.008 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066123 502926137 /nfs/dbraw/zinc/92/61/37/502926137.db2.gz CTPIUSXMLAMSBN-AZUAARDMSA-N 2 1 372.557 3.409 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000501080392 502931354 /nfs/dbraw/zinc/93/13/54/502931354.db2.gz XNXWHXMVSUSWRC-UHFFFAOYSA-N 2 1 368.363 3.297 20 0 FGADMP [NH3+][C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330718 502932932 /nfs/dbraw/zinc/93/29/32/502932932.db2.gz CNJQCZDAUPJECD-FYYLOGMGSA-N 2 1 363.505 3.201 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511260 502976958 /nfs/dbraw/zinc/97/69/58/502976958.db2.gz SINCLEKZXUHPLV-FXAWDEMLSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511260 502976962 /nfs/dbraw/zinc/97/69/62/502976962.db2.gz SINCLEKZXUHPLV-FXAWDEMLSA-N 2 1 359.514 3.283 20 0 FGADMP CC[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501327112 502985091 /nfs/dbraw/zinc/98/50/91/502985091.db2.gz BJTFNNPBKIOWFP-OAQYLSRUSA-N 2 1 374.573 3.241 20 0 FGADMP CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501377855 502996897 /nfs/dbraw/zinc/99/68/97/502996897.db2.gz SHNCEIHZFONPQS-NRFANRHFSA-N 2 1 374.573 3.053 20 0 FGADMP CC[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000513708591 503005624 /nfs/dbraw/zinc/00/56/24/503005624.db2.gz UMRUMRVVJQPNNT-HXUWFJFHSA-N 2 1 357.542 3.056 20 0 FGADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000501518349 503028118 /nfs/dbraw/zinc/02/81/18/503028118.db2.gz SAESUNJCNWCAQK-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489786368 503034648 /nfs/dbraw/zinc/03/46/48/503034648.db2.gz BGOFNMQLZNANLK-PCCBWWKXSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489794126 503036447 /nfs/dbraw/zinc/03/64/47/503036447.db2.gz SHIYNOGLIPLBBS-NJYVYQBISA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000501583924 503044738 /nfs/dbraw/zinc/04/47/38/503044738.db2.gz ZLZCEFFUNLXDAV-UHFFFAOYSA-N 2 1 366.594 3.404 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489904632 503060741 /nfs/dbraw/zinc/06/07/41/503060741.db2.gz FUAWEKKMNXVDHF-SFHVURJKSA-N 2 1 369.513 3.021 20 0 FGADMP CCC1(CNC(=O)NCC[N@@H+](C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000514003193 503065042 /nfs/dbraw/zinc/06/50/42/503065042.db2.gz IQEVZJYVGWVHGS-UHFFFAOYSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000501773846 503077398 /nfs/dbraw/zinc/07/73/98/503077398.db2.gz DYCKLMGJGKLTKE-SLFFLAALSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000501773846 503077403 /nfs/dbraw/zinc/07/74/03/503077403.db2.gz DYCKLMGJGKLTKE-SLFFLAALSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000501773846 503077407 /nfs/dbraw/zinc/07/74/07/503077407.db2.gz DYCKLMGJGKLTKE-SLFFLAALSA-N 2 1 366.594 3.166 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(C[NH2+]CCC[NH+]3CCCC3)cn2)cc1 ZINC000510250971 503079892 /nfs/dbraw/zinc/07/98/92/503079892.db2.gz AKFRAHHTHIZLKI-UHFFFAOYSA-N 2 1 352.404 3.467 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267036 503082082 /nfs/dbraw/zinc/08/20/82/503082082.db2.gz GPCUUEKVBVQQNS-RBBKRZOGSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506267036 503082087 /nfs/dbraw/zinc/08/20/87/503082087.db2.gz GPCUUEKVBVQQNS-RBBKRZOGSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506267036 503082088 /nfs/dbraw/zinc/08/20/88/503082088.db2.gz GPCUUEKVBVQQNS-RBBKRZOGSA-N 2 1 357.542 3.422 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000514098159 503087215 /nfs/dbraw/zinc/08/72/15/503087215.db2.gz DRQKDGOYCSJGIU-PWRODBHTSA-N 3 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000514098159 503087219 /nfs/dbraw/zinc/08/72/19/503087219.db2.gz DRQKDGOYCSJGIU-PWRODBHTSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000514098159 503087223 /nfs/dbraw/zinc/08/72/23/503087223.db2.gz DRQKDGOYCSJGIU-PWRODBHTSA-N 2 1 359.558 3.370 20 0 FGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@H]2CCC[C@@H]21 ZINC000514193700 503109675 /nfs/dbraw/zinc/10/96/75/503109675.db2.gz GYIBUZSNDBSMOR-MYGLTJDJSA-N 2 1 356.510 3.193 20 0 FGADMP c1cc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193700 503109676 /nfs/dbraw/zinc/10/96/76/503109676.db2.gz GYIBUZSNDBSMOR-MYGLTJDJSA-N 2 1 356.510 3.193 20 0 FGADMP c1cc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193700 503109677 /nfs/dbraw/zinc/10/96/77/503109677.db2.gz GYIBUZSNDBSMOR-MYGLTJDJSA-N 2 1 356.510 3.193 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514196678 503109699 /nfs/dbraw/zinc/10/96/99/503109699.db2.gz AHVPPERNFAOIMN-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000498163786 503122400 /nfs/dbraw/zinc/12/24/00/503122400.db2.gz RYIKOZXDRMLLML-YLJYHZDGSA-N 2 1 371.529 3.271 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1C ZINC000498229279 503136704 /nfs/dbraw/zinc/13/67/04/503136704.db2.gz VRXWGLINKSZJOO-RBUKOAKNSA-N 2 1 372.557 3.084 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000498358038 503166835 /nfs/dbraw/zinc/16/68/35/503166835.db2.gz CRRFXYHAPAKVRO-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000502386369 503190851 /nfs/dbraw/zinc/19/08/51/503190851.db2.gz ONBAAHPGUSIETM-UHFFFAOYSA-N 2 1 362.518 3.013 20 0 FGADMP Cc1cnc2cc(C(=O)N3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)ccn12 ZINC000514797363 503195813 /nfs/dbraw/zinc/19/58/13/503195813.db2.gz XKZITLZSWLQELG-RTWAWAEBSA-N 2 1 374.488 3.237 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514824273 503202098 /nfs/dbraw/zinc/20/20/98/503202098.db2.gz AFXUHLFFTWKTCE-UYAOXDASSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514824272 503202464 /nfs/dbraw/zinc/20/24/64/503202464.db2.gz AFXUHLFFTWKTCE-QUCCMNQESA-N 2 1 372.557 3.058 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000498597161 503223563 /nfs/dbraw/zinc/22/35/63/503223563.db2.gz DHIBBQNLZCFYQO-SFTDATJTSA-N 2 1 369.484 3.209 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000514939075 503231643 /nfs/dbraw/zinc/23/16/43/503231643.db2.gz KDOKUZOJKXQQGO-IBGZPJMESA-N 2 1 371.569 3.471 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000511037180 503239729 /nfs/dbraw/zinc/23/97/29/503239729.db2.gz WVTGGVGHFXCXQT-INIZCTEOSA-N 2 1 368.481 3.026 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000490898226 503243760 /nfs/dbraw/zinc/24/37/60/503243760.db2.gz QOUROCADAQQRPG-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1ccc([C@H](C)[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000507242965 503258343 /nfs/dbraw/zinc/25/83/43/503258343.db2.gz INOWWBKFNRHRPN-SFHVURJKSA-N 2 1 353.514 3.038 20 0 FGADMP Cc1ccc([C@H](C)[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000507242965 503258345 /nfs/dbraw/zinc/25/83/45/503258345.db2.gz INOWWBKFNRHRPN-SFHVURJKSA-N 2 1 353.514 3.038 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491020159 503261522 /nfs/dbraw/zinc/26/15/22/503261522.db2.gz NBHRIFJIGSBZDV-DENIHFKCSA-N 2 1 373.585 3.321 20 0 FGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000491021624 503262219 /nfs/dbraw/zinc/26/22/19/503262219.db2.gz QHSNKGZXJKKFHN-RTWAWAEBSA-N 2 1 359.558 3.030 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000502824597 503281583 /nfs/dbraw/zinc/28/15/83/503281583.db2.gz JGMRZXLJEOJDDO-ROUUACIJSA-N 2 1 364.534 3.226 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000507390728 503291951 /nfs/dbraw/zinc/29/19/51/503291951.db2.gz LRTPQVLKSMFAMO-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000507393526 503292736 /nfs/dbraw/zinc/29/27/36/503292736.db2.gz XUMWZJWITGVEQF-PZJWPPBQSA-N 2 1 372.557 3.163 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502878435 503296437 /nfs/dbraw/zinc/29/64/37/503296437.db2.gz ZYFVHESIPGPNQS-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000507443272 503300105 /nfs/dbraw/zinc/30/01/05/503300105.db2.gz QPNTZFFLEZUTDI-KDOFPFPSSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000515294259 503308179 /nfs/dbraw/zinc/30/81/79/503308179.db2.gz JBOSSAIGYORCNU-CTNGQTDRSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@H]1CC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000515303899 503310791 /nfs/dbraw/zinc/31/07/91/503310791.db2.gz DHROOFVEBIJCIW-KESTWPANSA-N 2 1 363.590 3.467 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502943020 503312203 /nfs/dbraw/zinc/31/22/03/503312203.db2.gz YJORUQUKKHVRPM-QZTJIDSGSA-N 2 1 360.546 3.147 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)cs1 ZINC000507515120 503312702 /nfs/dbraw/zinc/31/27/02/503312702.db2.gz URWIJHMGFSVWHH-DOTOQJQBSA-N 2 1 351.560 3.322 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1 ZINC000503065474 503339255 /nfs/dbraw/zinc/33/92/55/503339255.db2.gz VNHKIEZEMANNOD-UHFFFAOYSA-N 2 1 356.470 3.028 20 0 FGADMP CC[C@@H]1C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507814996 503372143 /nfs/dbraw/zinc/37/21/43/503372143.db2.gz NQNFTAJGMQUNLC-IFMALSPDSA-N 2 1 365.606 3.320 20 0 FGADMP CC[C@@H]1C[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507814996 503372146 /nfs/dbraw/zinc/37/21/46/503372146.db2.gz NQNFTAJGMQUNLC-IFMALSPDSA-N 3 1 365.606 3.320 20 0 FGADMP CC[C@@H]1C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507814996 503372148 /nfs/dbraw/zinc/37/21/48/503372148.db2.gz NQNFTAJGMQUNLC-IFMALSPDSA-N 3 1 365.606 3.320 20 0 FGADMP C[C@@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511920600 503415842 /nfs/dbraw/zinc/41/58/42/503415842.db2.gz XXIHFGMMXJTLLN-OTWHNJEPSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511920600 503415844 /nfs/dbraw/zinc/41/58/44/503415844.db2.gz XXIHFGMMXJTLLN-OTWHNJEPSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511920600 503415848 /nfs/dbraw/zinc/41/58/48/503415848.db2.gz XXIHFGMMXJTLLN-OTWHNJEPSA-N 2 1 369.553 3.297 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929251 503417852 /nfs/dbraw/zinc/41/78/52/503417852.db2.gz ZJPSEACYZWIMKX-GNAXCBTBSA-N 2 1 358.432 3.334 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccccc2c1C ZINC000499510448 503422051 /nfs/dbraw/zinc/42/20/51/503422051.db2.gz VPJCWPCFIARXNY-KRWDZBQOSA-N 2 1 357.498 3.229 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520792 503423960 /nfs/dbraw/zinc/42/39/60/503423960.db2.gz MORFRHWDJDXOGR-NRFANRHFSA-N 2 1 367.537 3.257 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987338 503429848 /nfs/dbraw/zinc/42/98/48/503429848.db2.gz DLAQUCHPPDNHJH-APWZRJJASA-N 2 1 358.555 3.205 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987338 503429852 /nfs/dbraw/zinc/42/98/52/503429852.db2.gz DLAQUCHPPDNHJH-APWZRJJASA-N 2 1 358.555 3.205 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c2cccs2)CC1 ZINC000493676764 503439589 /nfs/dbraw/zinc/43/95/89/503439589.db2.gz IZIXYUZHTPXUCP-ZWKOTPCHSA-N 2 1 361.555 3.264 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050612 503443957 /nfs/dbraw/zinc/44/39/57/503443957.db2.gz DGYKLKUBAFDEKY-SFTDATJTSA-N 2 1 350.462 3.405 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050612 503443959 /nfs/dbraw/zinc/44/39/59/503443959.db2.gz DGYKLKUBAFDEKY-SFTDATJTSA-N 2 1 350.462 3.405 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493887562 503453028 /nfs/dbraw/zinc/45/30/28/503453028.db2.gz FTJPTUIZFKXWIT-IEBWSBKVSA-N 2 1 367.896 3.217 20 0 FGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917845 503459075 /nfs/dbraw/zinc/45/90/75/503459075.db2.gz VHWITVMWAJJHDD-XRXFAXGQSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917845 503459078 /nfs/dbraw/zinc/45/90/78/503459078.db2.gz VHWITVMWAJJHDD-XRXFAXGQSA-N 2 1 358.526 3.243 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000516328775 503495119 /nfs/dbraw/zinc/49/51/19/503495119.db2.gz GMAAHKZBYCYOKO-NRFANRHFSA-N 2 1 357.542 3.404 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000516328775 503495123 /nfs/dbraw/zinc/49/51/23/503495123.db2.gz GMAAHKZBYCYOKO-NRFANRHFSA-N 2 1 357.542 3.404 20 0 FGADMP COc1cc(C)[nH+]c(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512249848 503499041 /nfs/dbraw/zinc/49/90/41/503499041.db2.gz ALSQHMZZJHHBMF-JOCHJYFZSA-N 2 1 351.494 3.497 20 0 FGADMP COc1cc(C)[nH+]c(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512249848 503499043 /nfs/dbraw/zinc/49/90/43/503499043.db2.gz ALSQHMZZJHHBMF-JOCHJYFZSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000512289941 503510677 /nfs/dbraw/zinc/51/06/77/503510677.db2.gz QUSNGGLTQGBTOG-MMOPVJDHSA-N 2 1 369.484 3.242 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494580167 503568320 /nfs/dbraw/zinc/56/83/20/503568320.db2.gz RUUFJJSPNWTHQI-INIZCTEOSA-N 2 1 366.431 3.382 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494580167 503568322 /nfs/dbraw/zinc/56/83/22/503568322.db2.gz RUUFJJSPNWTHQI-INIZCTEOSA-N 2 1 366.431 3.382 20 0 FGADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000504424988 503572306 /nfs/dbraw/zinc/57/23/06/503572306.db2.gz VZCMDXBEYPBWTO-GOSISDBHSA-N 2 1 355.448 3.008 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604671 503573131 /nfs/dbraw/zinc/57/31/31/503573131.db2.gz YPUWKAVCJAKJLF-GGPKGHCWSA-N 2 1 360.546 3.017 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508882797 503587549 /nfs/dbraw/zinc/58/75/49/503587549.db2.gz RHLGQADKOUEIBW-WERVVEIQSA-N 2 1 372.557 3.254 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670798 503608853 /nfs/dbraw/zinc/60/88/53/503608853.db2.gz BHWDUBYMJNSLDZ-ACRUOGEOSA-N 2 1 365.525 3.046 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000504779927 503614495 /nfs/dbraw/zinc/61/44/95/503614495.db2.gz WJIONJRSUMEGIU-FQEVSTJZSA-N 2 1 374.573 3.099 20 0 FGADMP CC[C@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000504805866 503617930 /nfs/dbraw/zinc/61/79/30/503617930.db2.gz WYTILIKLSLACBI-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826887 503620958 /nfs/dbraw/zinc/62/09/58/503620958.db2.gz UMXMOESAMBDOFN-NRFANRHFSA-N 2 1 363.505 3.377 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826887 503620962 /nfs/dbraw/zinc/62/09/62/503620962.db2.gz UMXMOESAMBDOFN-NRFANRHFSA-N 2 1 363.505 3.377 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826887 503620968 /nfs/dbraw/zinc/62/09/68/503620968.db2.gz UMXMOESAMBDOFN-NRFANRHFSA-N 2 1 363.505 3.377 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826887 503620972 /nfs/dbraw/zinc/62/09/72/503620972.db2.gz UMXMOESAMBDOFN-NRFANRHFSA-N 2 1 363.505 3.377 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C\c3ccncc3)CC2)CC1 ZINC000494975815 503644144 /nfs/dbraw/zinc/64/41/44/503644144.db2.gz KUFLHWKBMFDXKJ-ARJAWSKDSA-N 2 1 356.558 3.223 20 0 FGADMP C[N@@H+](C/C=C\c1ccncc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000494975815 503644147 /nfs/dbraw/zinc/64/41/47/503644147.db2.gz KUFLHWKBMFDXKJ-ARJAWSKDSA-N 3 1 356.558 3.223 20 0 FGADMP C[N@H+](C/C=C\c1ccncc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000494975815 503644148 /nfs/dbraw/zinc/64/41/48/503644148.db2.gz KUFLHWKBMFDXKJ-ARJAWSKDSA-N 3 1 356.558 3.223 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000543173327 503659835 /nfs/dbraw/zinc/65/98/35/503659835.db2.gz QZFMTFZLLCPGRK-SBHAEUEKSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CC=CCC1 ZINC000543173327 503659840 /nfs/dbraw/zinc/65/98/40/503659840.db2.gz QZFMTFZLLCPGRK-SBHAEUEKSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CC=CCC1 ZINC000543173327 503659844 /nfs/dbraw/zinc/65/98/44/503659844.db2.gz QZFMTFZLLCPGRK-SBHAEUEKSA-N 2 1 355.526 3.054 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1cccc(I)c1 ZINC000517105037 503670266 /nfs/dbraw/zinc/67/02/66/503670266.db2.gz ZRXLANHOHYQBAT-UHFFFAOYSA-N 2 1 358.267 3.209 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(I)c1 ZINC000517105037 503670272 /nfs/dbraw/zinc/67/02/72/503670272.db2.gz ZRXLANHOHYQBAT-UHFFFAOYSA-N 2 1 358.267 3.209 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000532950747 503671052 /nfs/dbraw/zinc/67/10/52/503671052.db2.gz FHSHSWCYLUDFGN-CQSZACIVSA-N 2 1 352.910 3.114 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000532950747 503671058 /nfs/dbraw/zinc/67/10/58/503671058.db2.gz FHSHSWCYLUDFGN-CQSZACIVSA-N 2 1 352.910 3.114 20 0 FGADMP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(F)cc1 ZINC000527116703 503686326 /nfs/dbraw/zinc/68/63/26/503686326.db2.gz PLLWIZWCPPGNPB-SFHVURJKSA-N 2 1 355.501 3.466 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000536706409 503690660 /nfs/dbraw/zinc/69/06/60/503690660.db2.gz PCRGWJYVXPSCNR-LJQANCHMSA-N 2 1 354.498 3.102 20 0 FGADMP CC(C)[C@H]1CN(C)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000536706409 503690664 /nfs/dbraw/zinc/69/06/64/503690664.db2.gz PCRGWJYVXPSCNR-LJQANCHMSA-N 2 1 354.498 3.102 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](C)C1 ZINC000540221314 503716485 /nfs/dbraw/zinc/71/64/85/503716485.db2.gz DWLBJASSHKBWKK-KMFMINBZSA-N 2 1 369.431 3.131 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](C)C1 ZINC000540221314 503716489 /nfs/dbraw/zinc/71/64/89/503716489.db2.gz DWLBJASSHKBWKK-KMFMINBZSA-N 2 1 369.431 3.131 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000540247199 503722726 /nfs/dbraw/zinc/72/27/26/503722726.db2.gz MFDPUGMXOKXSTM-HZPDHXFCSA-N 2 1 366.571 3.455 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000533107066 503733456 /nfs/dbraw/zinc/73/34/56/503733456.db2.gz AVSNAVOWMSOLRE-HDYDNRTBSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000543351732 503735404 /nfs/dbraw/zinc/73/54/04/503735404.db2.gz KQTIQDKGMFJJBK-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388948 503756534 /nfs/dbraw/zinc/75/65/34/503756534.db2.gz XQBADYLEJQQQKY-OXJNMPFZSA-N 2 1 352.482 3.469 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000543418287 503762220 /nfs/dbraw/zinc/76/22/20/503762220.db2.gz RZHCQVPREJWVGZ-XJKSGUPXSA-N 2 1 355.320 3.320 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000536933714 503765240 /nfs/dbraw/zinc/76/52/40/503765240.db2.gz JWLQPXAKRVVMNS-BGYRXZFFSA-N 2 1 360.542 3.209 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000536933714 503765244 /nfs/dbraw/zinc/76/52/44/503765244.db2.gz JWLQPXAKRVVMNS-BGYRXZFFSA-N 2 1 360.542 3.209 20 0 FGADMP Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220466 503766156 /nfs/dbraw/zinc/76/61/56/503766156.db2.gz KLFDVYFPOHRVEJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220466 503766160 /nfs/dbraw/zinc/76/61/60/503766160.db2.gz KLFDVYFPOHRVEJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000533220466 503766166 /nfs/dbraw/zinc/76/61/66/503766166.db2.gz KLFDVYFPOHRVEJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000533220466 503766170 /nfs/dbraw/zinc/76/61/70/503766170.db2.gz KLFDVYFPOHRVEJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458866 503780227 /nfs/dbraw/zinc/78/02/27/503780227.db2.gz NJTHTVQOHIXWSV-LRXVAGHRSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458866 503780230 /nfs/dbraw/zinc/78/02/30/503780230.db2.gz NJTHTVQOHIXWSV-LRXVAGHRSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458984 503780540 /nfs/dbraw/zinc/78/05/40/503780540.db2.gz MOXOAXSVILINGN-DLBZAZTESA-N 2 1 356.514 3.375 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000517720565 503817938 /nfs/dbraw/zinc/81/79/38/503817938.db2.gz NLXPYXNDBADXAL-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000517720565 503817944 /nfs/dbraw/zinc/81/79/44/503817944.db2.gz NLXPYXNDBADXAL-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000517720565 503817948 /nfs/dbraw/zinc/81/79/48/503817948.db2.gz NLXPYXNDBADXAL-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000517720565 503817952 /nfs/dbraw/zinc/81/79/52/503817952.db2.gz NLXPYXNDBADXAL-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193309 503835705 /nfs/dbraw/zinc/83/57/05/503835705.db2.gz BAYHYPRXKDHPPA-ICSRJNTNSA-N 2 1 357.542 3.439 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193309 503835708 /nfs/dbraw/zinc/83/57/08/503835708.db2.gz BAYHYPRXKDHPPA-ICSRJNTNSA-N 2 1 357.542 3.439 20 0 FGADMP Cc1cc(C)c(C(=O)NC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)o1 ZINC000527578096 503839688 /nfs/dbraw/zinc/83/96/88/503839688.db2.gz OFKFYAQVVNNBTD-UHFFFAOYSA-N 2 1 358.486 3.076 20 0 FGADMP C[C@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000543713759 503863305 /nfs/dbraw/zinc/86/33/05/503863305.db2.gz UTBKTEZWQLGFAU-AZUAARDMSA-N 2 1 366.509 3.077 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293535 503871686 /nfs/dbraw/zinc/87/16/86/503871686.db2.gz WAKVCMYSRBYSSS-KBPBESRZSA-N 2 1 363.889 3.324 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293535 503871687 /nfs/dbraw/zinc/87/16/87/503871687.db2.gz WAKVCMYSRBYSSS-KBPBESRZSA-N 2 1 363.889 3.324 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1CC1 ZINC000533527632 503876633 /nfs/dbraw/zinc/87/66/33/503876633.db2.gz ZWRJMSGBXSFNQZ-QZTJIDSGSA-N 2 1 357.542 3.265 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000517962114 503877045 /nfs/dbraw/zinc/87/70/45/503877045.db2.gz ZFZHXWGOBDFTPS-APWZRJJASA-N 2 1 363.933 3.277 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc(C(F)(F)F)c1 ZINC000527659936 503881850 /nfs/dbraw/zinc/88/18/50/503881850.db2.gz CDDFGABOXWFLLO-CQSZACIVSA-N 2 1 372.431 3.305 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011103 503888280 /nfs/dbraw/zinc/88/82/80/503888280.db2.gz DOOCZCUSAHKDQU-FPOVZHCZSA-N 2 1 372.557 3.386 20 0 FGADMP Fc1cc(Br)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240143 503889878 /nfs/dbraw/zinc/88/98/78/503889878.db2.gz YECKUZOBQNAYLS-MRXNPFEDSA-N 2 1 371.294 3.179 20 0 FGADMP COc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000543782276 503890913 /nfs/dbraw/zinc/89/09/13/503890913.db2.gz MVRKUVPJLZPAEM-UHFFFAOYSA-N 2 1 371.319 3.000 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864545 503921061 /nfs/dbraw/zinc/92/10/61/503921061.db2.gz HWFOREUMGMKYIV-MJGOQNOKSA-N 2 1 367.896 3.213 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913519 503936645 /nfs/dbraw/zinc/93/66/45/503936645.db2.gz SSNHUYWLFRSNHQ-HKUYNNGSSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000540991594 503967801 /nfs/dbraw/zinc/96/78/01/503967801.db2.gz HMXMOEKJIDKPHI-PDXHDDNESA-N 2 1 354.469 3.415 20 0 FGADMP C[NH+](C)CC[C@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046387 503985730 /nfs/dbraw/zinc/98/57/30/503985730.db2.gz VDECMTZAMUEDKW-HOTGVXAUSA-N 2 1 373.463 3.058 20 0 FGADMP C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892823 503987786 /nfs/dbraw/zinc/98/77/86/503987786.db2.gz BJFGOXRAEJBNMR-MSOLQXFVSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@H]1CCCC[C@H]1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000544190225 504042491 /nfs/dbraw/zinc/04/24/91/504042491.db2.gz HLZDVBIFVYQWBF-ICSRJNTNSA-N 2 1 373.541 3.263 20 0 FGADMP C[C@H](CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544252711 504061297 /nfs/dbraw/zinc/06/12/97/504061297.db2.gz DMLBSJYOJYDQSA-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1)CC1CC1 ZINC000537849809 504064552 /nfs/dbraw/zinc/06/45/52/504064552.db2.gz SUVYLCOBDDJUCN-KDURUIRLSA-N 2 1 363.590 3.325 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000518829537 504073442 /nfs/dbraw/zinc/07/34/42/504073442.db2.gz JJWPKNFFHITRGA-HXUWFJFHSA-N 2 1 355.482 3.259 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000518829537 504073446 /nfs/dbraw/zinc/07/34/46/504073446.db2.gz JJWPKNFFHITRGA-HXUWFJFHSA-N 2 1 355.482 3.259 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146439 504091039 /nfs/dbraw/zinc/09/10/39/504091039.db2.gz ACVZEHILZHBQMI-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000528146439 504091044 /nfs/dbraw/zinc/09/10/44/504091044.db2.gz ACVZEHILZHBQMI-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000528146439 504091048 /nfs/dbraw/zinc/09/10/48/504091048.db2.gz ACVZEHILZHBQMI-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 ZINC000530805283 504091835 /nfs/dbraw/zinc/09/18/35/504091835.db2.gz XQYNMCKUHWEXKY-JTDSTZFVSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000530805283 504091846 /nfs/dbraw/zinc/09/18/46/504091846.db2.gz XQYNMCKUHWEXKY-JTDSTZFVSA-N 2 1 363.933 3.466 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528151416 504093946 /nfs/dbraw/zinc/09/39/46/504093946.db2.gz ZGOJASSHBBCQKP-QMMLZNLJSA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151416 504093950 /nfs/dbraw/zinc/09/39/50/504093950.db2.gz ZGOJASSHBBCQKP-QMMLZNLJSA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528151416 504093956 /nfs/dbraw/zinc/09/39/56/504093956.db2.gz ZGOJASSHBBCQKP-QMMLZNLJSA-N 2 1 374.573 3.052 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424665 504128316 /nfs/dbraw/zinc/12/83/16/504128316.db2.gz NHOHQFDPAPOZHA-ZJOUEHCJSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424665 504128321 /nfs/dbraw/zinc/12/83/21/504128321.db2.gz NHOHQFDPAPOZHA-ZJOUEHCJSA-N 2 1 371.569 3.285 20 0 FGADMP CO[C@@]1(C)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@](C)(OC)C3)c2)C1 ZINC000519078865 504134955 /nfs/dbraw/zinc/13/49/55/504134955.db2.gz RHSSETFADXMQDA-SFTDATJTSA-N 2 1 361.530 3.083 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000534474165 504151761 /nfs/dbraw/zinc/15/17/61/504151761.db2.gz AITJRJBATWBDNT-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531107703 504191899 /nfs/dbraw/zinc/19/18/99/504191899.db2.gz IJISMRQRBWXEIG-IBGZPJMESA-N 2 1 359.558 3.394 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000544622278 504194894 /nfs/dbraw/zinc/19/48/94/504194894.db2.gz WJUPOWAGKKIZRM-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139521 504202807 /nfs/dbraw/zinc/20/28/07/504202807.db2.gz CBLKDEFQCJWYFC-BPQIPLTHSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139521 504202810 /nfs/dbraw/zinc/20/28/10/504202810.db2.gz CBLKDEFQCJWYFC-BPQIPLTHSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139521 504202814 /nfs/dbraw/zinc/20/28/14/504202814.db2.gz CBLKDEFQCJWYFC-BPQIPLTHSA-N 2 1 354.922 3.022 20 0 FGADMP Cc1cc(NC(=O)CC[N@H+](C)C2CCCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000547733502 504204253 /nfs/dbraw/zinc/20/42/53/504204253.db2.gz IUDKRGNAORYIBU-UHFFFAOYSA-N 2 1 361.534 3.051 20 0 FGADMP O=C(N1CC[NH+](Cc2cccc3ccccc32)CC1)C12CCC[NH+]1CCC2 ZINC000547752128 504211794 /nfs/dbraw/zinc/21/17/94/504211794.db2.gz LOPFHDZPSJVJHZ-UHFFFAOYSA-N 2 1 363.505 3.112 20 0 FGADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547754804 504213193 /nfs/dbraw/zinc/21/31/93/504213193.db2.gz JGXQUUYRLAAIJD-UHFFFAOYSA-N 2 1 363.505 3.071 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531190525 504220265 /nfs/dbraw/zinc/22/02/65/504220265.db2.gz HRGTTYNILNNVEE-QGZVFWFLSA-N 2 1 373.545 3.051 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191187 504221089 /nfs/dbraw/zinc/22/10/89/504221089.db2.gz DGXZTBQTHSRZQY-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191187 504221092 /nfs/dbraw/zinc/22/10/92/504221092.db2.gz DGXZTBQTHSRZQY-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191187 504221093 /nfs/dbraw/zinc/22/10/93/504221093.db2.gz DGXZTBQTHSRZQY-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP Cc1ccc([C@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787243 504225557 /nfs/dbraw/zinc/22/55/57/504225557.db2.gz RGBZATISTNPKFX-FCHUYYIVSA-N 2 1 365.521 3.203 20 0 FGADMP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519534738 504244807 /nfs/dbraw/zinc/24/48/07/504244807.db2.gz BDJOYLDMAVTURZ-HNAYVOBHSA-N 2 1 371.550 3.337 20 0 FGADMP C[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519534738 504244811 /nfs/dbraw/zinc/24/48/11/504244811.db2.gz BDJOYLDMAVTURZ-HNAYVOBHSA-N 2 1 371.550 3.337 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955515 504292815 /nfs/dbraw/zinc/29/28/15/504292815.db2.gz LNZHZMVYGDATPZ-INIZCTEOSA-N 2 1 374.451 3.095 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955515 504292821 /nfs/dbraw/zinc/29/28/21/504292821.db2.gz LNZHZMVYGDATPZ-INIZCTEOSA-N 2 1 374.451 3.095 20 0 FGADMP O=C(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CCCC1 ZINC000534964976 504296173 /nfs/dbraw/zinc/29/61/73/504296173.db2.gz HGPYJSDUECIIBR-UHFFFAOYSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616116 504304761 /nfs/dbraw/zinc/30/47/61/504304761.db2.gz VEOAHQAEELORNR-IEBWSBKVSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616116 504304770 /nfs/dbraw/zinc/30/47/70/504304770.db2.gz VEOAHQAEELORNR-IEBWSBKVSA-N 2 1 352.482 3.053 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528652062 504313517 /nfs/dbraw/zinc/31/35/17/504313517.db2.gz RYZFEAMOIKQBSE-BDKRGJGYSA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528652062 504313523 /nfs/dbraw/zinc/31/35/23/504313523.db2.gz RYZFEAMOIKQBSE-BDKRGJGYSA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528652062 504313528 /nfs/dbraw/zinc/31/35/28/504313528.db2.gz RYZFEAMOIKQBSE-BDKRGJGYSA-N 2 1 371.569 3.476 20 0 FGADMP Brc1c[nH+]ccc1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000548152492 504349430 /nfs/dbraw/zinc/34/94/30/504349430.db2.gz OFNSRFAVDOLCDC-MRXNPFEDSA-N 2 1 360.299 3.243 20 0 FGADMP Brc1c[nH+]ccc1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000548152492 504349432 /nfs/dbraw/zinc/34/94/32/504349432.db2.gz OFNSRFAVDOLCDC-MRXNPFEDSA-N 2 1 360.299 3.243 20 0 FGADMP COc1cc2c(cc1C[NH2+]Cc1ccccc1OCC[NH+](C)C)O[C@H](C)C2 ZINC000519910201 504381009 /nfs/dbraw/zinc/38/10/09/504381009.db2.gz JZWJBSMETRYJIO-MRXNPFEDSA-N 2 1 370.493 3.249 20 0 FGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678234 504390202 /nfs/dbraw/zinc/39/02/02/504390202.db2.gz QRUIXNVAUHMIMR-APWZRJJASA-N 2 1 361.530 3.397 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204704 504394660 /nfs/dbraw/zinc/39/46/60/504394660.db2.gz DQWCMVONBHMIGE-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204704 504394668 /nfs/dbraw/zinc/39/46/68/504394668.db2.gz DQWCMVONBHMIGE-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204704 504394672 /nfs/dbraw/zinc/39/46/72/504394672.db2.gz DQWCMVONBHMIGE-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723895 504404783 /nfs/dbraw/zinc/40/47/83/504404783.db2.gz RDYYEUNVSRQPNF-SUNKGSAMSA-N 2 1 364.843 3.484 20 0 FGADMP CN(C(=O)[C@H]1CCCC12CC2)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528892678 504437115 /nfs/dbraw/zinc/43/71/15/504437115.db2.gz IDJSKCNZIBWEFO-VAMGGRTRSA-N 2 1 361.574 3.362 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000520219445 504438408 /nfs/dbraw/zinc/43/84/08/504438408.db2.gz DQVIXQXQIXIQMP-MRXNPFEDSA-N 2 1 355.404 3.184 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057776 504460385 /nfs/dbraw/zinc/46/03/85/504460385.db2.gz DCAWLJADMYTXBS-GZOSKZMVSA-N 2 1 358.448 3.175 20 0 FGADMP C[C@H]([NH2+]CCC(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483287 504461930 /nfs/dbraw/zinc/46/19/30/504461930.db2.gz WAGWAPPDUDMGKI-SIKLNZKXSA-N 2 1 365.521 3.193 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339355 504470812 /nfs/dbraw/zinc/47/08/12/504470812.db2.gz QSUNDWAWWBQFAE-DENIHFKCSA-N 2 1 371.569 3.176 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346870 504473952 /nfs/dbraw/zinc/47/39/52/504473952.db2.gz FSLWHKPDVWRCNT-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520346870 504473957 /nfs/dbraw/zinc/47/39/57/504473957.db2.gz FSLWHKPDVWRCNT-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520346870 504473962 /nfs/dbraw/zinc/47/39/62/504473962.db2.gz FSLWHKPDVWRCNT-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528971780 504475460 /nfs/dbraw/zinc/47/54/60/504475460.db2.gz SHXCLFUYHCKMMY-IBGZPJMESA-N 2 1 374.529 3.156 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1)CC(C)C ZINC000539135548 504483870 /nfs/dbraw/zinc/48/38/70/504483870.db2.gz YIXHNPXZEAQVEF-GOSISDBHSA-N 2 1 369.619 3.030 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H](C)[NH+]2CCSCC2)CC1)CC(C)C ZINC000539135548 504483873 /nfs/dbraw/zinc/48/38/73/504483873.db2.gz YIXHNPXZEAQVEF-GOSISDBHSA-N 2 1 369.619 3.030 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000520386931 504486393 /nfs/dbraw/zinc/48/63/93/504486393.db2.gz KLXJWWYTMYVTKT-UHFFFAOYSA-N 2 1 365.521 3.405 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000531960795 504487900 /nfs/dbraw/zinc/48/79/00/504487900.db2.gz RPUHYCBBPPYAPJ-LMDPOFIKSA-N 2 1 370.459 3.377 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980386 504493462 /nfs/dbraw/zinc/49/34/62/504493462.db2.gz ITJGGPSNWBSCQX-VNHYZAJKSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980386 504493466 /nfs/dbraw/zinc/49/34/66/504493466.db2.gz ITJGGPSNWBSCQX-VNHYZAJKSA-N 2 1 373.419 3.375 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451782 504495482 /nfs/dbraw/zinc/49/54/82/504495482.db2.gz ORQMIQRSCKIAAK-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CCc1ccc([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C(C)C)cc1 ZINC000539201031 504496906 /nfs/dbraw/zinc/49/69/06/504496906.db2.gz KSIPVISBEVDRHR-JOCHJYFZSA-N 2 1 359.558 3.478 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000542472396 504504034 /nfs/dbraw/zinc/50/40/34/504504034.db2.gz KUWCCXNIELXZRH-XLIONFOSSA-N 2 1 363.452 3.396 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000542487444 504510408 /nfs/dbraw/zinc/51/04/08/504510408.db2.gz XZOMGEWZXRFVBO-OIBXWCBGSA-N 2 1 352.522 3.480 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174484 504566575 /nfs/dbraw/zinc/56/65/75/504566575.db2.gz PMYUSUXQWJOHHV-RBUKOAKNSA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174484 504566578 /nfs/dbraw/zinc/56/65/78/504566578.db2.gz PMYUSUXQWJOHHV-RBUKOAKNSA-N 2 1 363.933 3.247 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188202 504567039 /nfs/dbraw/zinc/56/70/39/504567039.db2.gz LQMJQTQXYQGEPJ-OALUTQOASA-N 2 1 371.550 3.322 20 0 FGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000542682649 504575315 /nfs/dbraw/zinc/57/53/15/504575315.db2.gz HHQMUWDXXLYUAN-KKSFZXQISA-N 2 1 355.526 3.105 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000520782533 504580464 /nfs/dbraw/zinc/58/04/64/504580464.db2.gz SVTUTAUASGLRNM-ZVDOUQERSA-N 2 1 372.557 3.386 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)c2ccccc2)CC1 ZINC000539485543 504586250 /nfs/dbraw/zinc/58/62/50/504586250.db2.gz GIKOCQNTGWHQCL-OAQYLSRUSA-N 2 1 370.541 3.021 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747283 504594437 /nfs/dbraw/zinc/59/44/37/504594437.db2.gz ZIPSYKIMASEBOM-ROUUACIJSA-N 2 1 366.594 3.259 20 0 FGADMP CN(CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784993 504609686 /nfs/dbraw/zinc/60/96/86/504609686.db2.gz KXLWLVMPSWBUAH-QUCCMNQESA-N 2 1 372.900 3.123 20 0 FGADMP CN(CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784993 504609689 /nfs/dbraw/zinc/60/96/89/504609689.db2.gz KXLWLVMPSWBUAH-QUCCMNQESA-N 2 1 372.900 3.123 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000548933414 504627023 /nfs/dbraw/zinc/62/70/23/504627023.db2.gz UANLTRUFNGBZBX-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000548933414 504627031 /nfs/dbraw/zinc/62/70/31/504627031.db2.gz UANLTRUFNGBZBX-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000542849807 504633307 /nfs/dbraw/zinc/63/33/07/504633307.db2.gz SFHCEMNKNSZSEF-YPAWHYETSA-N 2 1 372.553 3.471 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000536131133 504641830 /nfs/dbraw/zinc/64/18/30/504641830.db2.gz ZAWGVKPONJOZJM-QGZVFWFLSA-N 2 1 364.965 3.056 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000536131129 504642386 /nfs/dbraw/zinc/64/23/86/504642386.db2.gz ZAWGVKPONJOZJM-KRWDZBQOSA-N 2 1 364.965 3.056 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000532519066 504680930 /nfs/dbraw/zinc/68/09/30/504680930.db2.gz GKHMOKUPIRNTHE-INIZCTEOSA-N 2 1 362.481 3.290 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(Cl)cc3c2OCC3)C[C@H](C)O1 ZINC000543062318 504708837 /nfs/dbraw/zinc/70/88/37/504708837.db2.gz CJSMUXPUQFPKFG-GASCZTMLSA-N 2 1 352.906 3.254 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC(F)(F)C1 ZINC000529534757 504718132 /nfs/dbraw/zinc/71/81/32/504718132.db2.gz OYLFYKUKCQELDL-VQIMIIECSA-N 2 1 351.485 3.389 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3COCC[C@H]32)CC1 ZINC000539890768 504731943 /nfs/dbraw/zinc/73/19/43/504731943.db2.gz MMINEEQLQZNTHB-IFMALSPDSA-N 2 1 357.542 3.220 20 0 FGADMP CC1CCN(C(=O)C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000536488879 504747216 /nfs/dbraw/zinc/74/72/16/504747216.db2.gz WGHSDEDFKNZSNW-UHFFFAOYSA-N 2 1 369.553 3.233 20 0 FGADMP CN(C)c1nc(N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000536504180 504750461 /nfs/dbraw/zinc/75/04/61/504750461.db2.gz BCSBBFGKLOBMDR-UHFFFAOYSA-N 2 1 351.498 3.035 20 0 FGADMP CN(C)c1nc(N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000536504180 504750463 /nfs/dbraw/zinc/75/04/63/504750463.db2.gz BCSBBFGKLOBMDR-UHFFFAOYSA-N 2 1 351.498 3.035 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562287211 504773221 /nfs/dbraw/zinc/77/32/21/504773221.db2.gz WODMHFZNUNFGCB-QFBILLFUSA-N 2 1 368.481 3.109 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562287211 504773224 /nfs/dbraw/zinc/77/32/24/504773224.db2.gz WODMHFZNUNFGCB-QFBILLFUSA-N 2 1 368.481 3.109 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)cs1 ZINC000556092988 504795267 /nfs/dbraw/zinc/79/52/67/504795267.db2.gz HPFNVGDALLMMKK-KXBFYZLASA-N 2 1 351.560 3.465 20 0 FGADMP Cn1nnc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000565111115 504797257 /nfs/dbraw/zinc/79/72/57/504797257.db2.gz VAGYDDYNIYIZIZ-FQEVSTJZSA-N 2 1 363.509 3.360 20 0 FGADMP CCc1c2ccccc2oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000556128132 504802342 /nfs/dbraw/zinc/80/23/42/504802342.db2.gz GEOIYPXTIJTRQI-UHFFFAOYSA-N 2 1 364.449 3.394 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000549402788 504810505 /nfs/dbraw/zinc/81/05/05/504810505.db2.gz CAVXXYRHUKBCGM-NRFANRHFSA-N 2 1 370.541 3.328 20 0 FGADMP COc1cccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000559260739 504811746 /nfs/dbraw/zinc/81/17/46/504811746.db2.gz APMAIRCJLTYXPB-NQIIRXRSSA-N 2 1 373.541 3.213 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000562567653 504861224 /nfs/dbraw/zinc/86/12/24/504861224.db2.gz ABBKLKSBNDPDDM-ROUUACIJSA-N 2 1 374.529 3.206 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559743767 504920924 /nfs/dbraw/zinc/92/09/24/504920924.db2.gz UTVDMPDNXGCALB-RTWAWAEBSA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559743767 504920931 /nfs/dbraw/zinc/92/09/31/504920931.db2.gz UTVDMPDNXGCALB-RTWAWAEBSA-N 2 1 357.542 3.449 20 0 FGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879444 504923830 /nfs/dbraw/zinc/92/38/30/504923830.db2.gz BGQLGSNCMURZEB-HXUWFJFHSA-N 2 1 368.525 3.045 20 0 FGADMP CC(C)Cc1ccc(C(=O)C2CCN(C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000565664938 504953030 /nfs/dbraw/zinc/95/30/30/504953030.db2.gz VUKZOEQQKBVQJF-QFIPXVFZSA-N 2 1 372.553 3.235 20 0 FGADMP CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@@H](O)CN(C)C3CC3)CC2)cc1 ZINC000565664938 504953033 /nfs/dbraw/zinc/95/30/33/504953033.db2.gz VUKZOEQQKBVQJF-QFIPXVFZSA-N 2 1 372.553 3.235 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000556833523 504989261 /nfs/dbraw/zinc/98/92/61/504989261.db2.gz VEVGECGTRJGULE-JOCHJYFZSA-N 2 1 374.488 3.186 20 0 FGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000553780961 505008117 /nfs/dbraw/zinc/00/81/17/505008117.db2.gz DEOCVHBCQVMAAU-WJMWBRGCSA-N 2 1 357.542 3.136 20 0 FGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000550270261 505008303 /nfs/dbraw/zinc/00/83/03/505008303.db2.gz LFWVDAUXKQKXQB-JOCHJYFZSA-N 2 1 365.521 3.408 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939072 505032662 /nfs/dbraw/zinc/03/26/62/505032662.db2.gz JHTZTFTZKBKRBG-IKGGRYGDSA-N 2 1 362.493 3.047 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000565953516 505037156 /nfs/dbraw/zinc/03/71/56/505037156.db2.gz FHGUCJGUKRZALW-UHFFFAOYSA-N 2 1 354.285 3.135 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000565982632 505045016 /nfs/dbraw/zinc/04/50/16/505045016.db2.gz CCXOVOSCEUGFEE-ICSRJNTNSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000565982632 505045021 /nfs/dbraw/zinc/04/50/21/505045021.db2.gz CCXOVOSCEUGFEE-ICSRJNTNSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000565982632 505045022 /nfs/dbraw/zinc/04/50/22/505045022.db2.gz CCXOVOSCEUGFEE-ICSRJNTNSA-N 2 1 374.573 3.315 20 0 FGADMP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036126 505049310 /nfs/dbraw/zinc/04/93/10/505049310.db2.gz ZNGCVSKTFOYMNY-DOTOQJQBSA-N 2 1 356.514 3.107 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615101 505074015 /nfs/dbraw/zinc/07/40/15/505074015.db2.gz DTRXCQAPYBHGJE-FGZHOGPDSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615101 505074018 /nfs/dbraw/zinc/07/40/18/505074018.db2.gz DTRXCQAPYBHGJE-FGZHOGPDSA-N 2 1 361.493 3.252 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2CC[NH2+]CC2)c1 ZINC000557184627 505088058 /nfs/dbraw/zinc/08/80/58/505088058.db2.gz WNFPTSUTIXROPS-UHFFFAOYSA-N 2 1 360.546 3.107 20 0 FGADMP CCC[N@@H+](CC(=O)Nc1ccccc1OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563269230 505092698 /nfs/dbraw/zinc/09/26/98/505092698.db2.gz KWEDQBWWDRXZNU-UHFFFAOYSA-N 2 1 367.493 3.192 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550794963 505102853 /nfs/dbraw/zinc/10/28/53/505102853.db2.gz NOLKTQHHVWNMCZ-YVNJGZBMSA-N 2 1 368.525 3.406 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550794963 505102856 /nfs/dbraw/zinc/10/28/56/505102856.db2.gz NOLKTQHHVWNMCZ-YVNJGZBMSA-N 2 1 368.525 3.406 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000566181570 505106049 /nfs/dbraw/zinc/10/60/49/505106049.db2.gz PAVNGGVLQWQMMN-UXHICEINSA-N 2 1 359.558 3.381 20 0 FGADMP Cc1ccnc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000560514158 505110797 /nfs/dbraw/zinc/11/07/97/505110797.db2.gz SMTDRYINHVFMTB-KNQAVFIVSA-N 2 1 352.526 3.419 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccccc3Oc3ccccc3)C2)nn1 ZINC000557339634 505111327 /nfs/dbraw/zinc/11/13/27/505111327.db2.gz YHMXQEZJCWGVBH-IBGZPJMESA-N 2 1 363.465 3.366 20 0 FGADMP C[C@]1(c2ccccc2)CC[C@H]([N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)C1 ZINC000566230596 505119115 /nfs/dbraw/zinc/11/91/15/505119115.db2.gz INAUHNALLQIITH-DXKRWKNPSA-N 2 1 369.553 3.077 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000560548096 505123047 /nfs/dbraw/zinc/12/30/47/505123047.db2.gz KTTQGUKYYBRDBR-ULQDDVLXSA-N 2 1 352.320 3.323 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000554238408 505123373 /nfs/dbraw/zinc/12/33/73/505123373.db2.gz HHCUIMXYCJVUDE-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000554238408 505123377 /nfs/dbraw/zinc/12/33/77/505123377.db2.gz HHCUIMXYCJVUDE-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566250856 505123713 /nfs/dbraw/zinc/12/37/13/505123713.db2.gz FLVILTNWUGKQSL-PBHICJAKSA-N 2 1 369.912 3.353 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563383491 505128075 /nfs/dbraw/zinc/12/80/75/505128075.db2.gz QNYCRSZTMITBRZ-UHFFFAOYSA-N 2 1 359.558 3.375 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H]1c1ccccc1 ZINC000550995118 505138909 /nfs/dbraw/zinc/13/89/09/505138909.db2.gz BVHGCDHTCSCRKO-NHCUHLMSSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H]1c1ccccc1 ZINC000550995118 505138914 /nfs/dbraw/zinc/13/89/14/505138914.db2.gz BVHGCDHTCSCRKO-NHCUHLMSSA-N 2 1 367.493 3.309 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563439231 505141108 /nfs/dbraw/zinc/14/11/08/505141108.db2.gz FZGIONKCIXALAK-LJQANCHMSA-N 2 1 358.574 3.181 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551050141 505147751 /nfs/dbraw/zinc/14/77/51/505147751.db2.gz FSCDXQWLVWYBMM-PLACYPQZSA-N 2 1 357.542 3.495 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551050141 505147754 /nfs/dbraw/zinc/14/77/54/505147754.db2.gz FSCDXQWLVWYBMM-PLACYPQZSA-N 2 1 357.542 3.495 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500417 505158329 /nfs/dbraw/zinc/15/83/29/505158329.db2.gz DPDXAQUQYWBHAP-HRAATJIYSA-N 2 1 364.493 3.289 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563434 505168569 /nfs/dbraw/zinc/16/85/69/505168569.db2.gz MUCOCFCKHIZUKB-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557563434 505168575 /nfs/dbraw/zinc/16/85/75/505168575.db2.gz MUCOCFCKHIZUKB-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557563434 505168579 /nfs/dbraw/zinc/16/85/79/505168579.db2.gz MUCOCFCKHIZUKB-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554464624 505179653 /nfs/dbraw/zinc/17/96/53/505179653.db2.gz NUCBJKOHLWQAOL-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000563581357 505182744 /nfs/dbraw/zinc/18/27/44/505182744.db2.gz OSXGBGGJAXTGDT-NBOOPKSLSA-N 2 1 364.559 3.042 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000563669607 505206415 /nfs/dbraw/zinc/20/64/15/505206415.db2.gz HZJKJBVEIZYZLC-AZUAARDMSA-N 2 1 373.541 3.275 20 0 FGADMP C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000561131308 505258301 /nfs/dbraw/zinc/25/83/01/505258301.db2.gz BEWQAFFYNHJNQO-LAUBAEHRSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554864806 505284219 /nfs/dbraw/zinc/28/42/19/505284219.db2.gz GLBGILBWCVFRRQ-GHTZIAJQSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014075 505285289 /nfs/dbraw/zinc/28/52/89/505285289.db2.gz VBYNSCQHFRCXBW-UEXGIBASSA-N 2 1 355.526 3.085 20 0 FGADMP C[N@@H+]1CC[C@H](Nc2cc(N3CCCC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561238368 505289489 /nfs/dbraw/zinc/28/94/89/505289489.db2.gz PWGDTHVUZBLFDN-LPHOPBHVSA-N 2 1 359.424 3.212 20 0 FGADMP C[N@H+]1CC[C@H](Nc2cc(N3CCCC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000561238368 505289493 /nfs/dbraw/zinc/28/94/93/505289493.db2.gz PWGDTHVUZBLFDN-LPHOPBHVSA-N 2 1 359.424 3.212 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566917276 505310801 /nfs/dbraw/zinc/31/08/01/505310801.db2.gz CHLBQRXLOFBDKL-JOCHJYFZSA-N 2 1 372.557 3.215 20 0 FGADMP FC(F)Oc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)ccn1 ZINC000551811892 505315789 /nfs/dbraw/zinc/31/57/89/505315789.db2.gz IQEQLQCTGWZVOD-UHFFFAOYSA-N 2 1 361.436 3.480 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000558164251 505325242 /nfs/dbraw/zinc/32/52/42/505325242.db2.gz ACWUVRKLGNBPHY-QGZVFWFLSA-N 2 1 361.486 3.488 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000567052339 505350081 /nfs/dbraw/zinc/35/00/81/505350081.db2.gz WITXPMIUXXKWQF-KDOFPFPSSA-N 2 1 364.440 3.150 20 0 FGADMP C[C@@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147512 505376703 /nfs/dbraw/zinc/37/67/03/505376703.db2.gz PHOHSQCRIHRYOO-XMSQKQJNSA-N 2 1 350.506 3.017 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)Nc2ccccn2)CC1 ZINC000552049476 505381920 /nfs/dbraw/zinc/38/19/20/505381920.db2.gz WGEFDXJYOKRAGG-UHFFFAOYSA-N 2 1 366.509 3.443 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000558415961 505382931 /nfs/dbraw/zinc/38/29/31/505382931.db2.gz FSYVQRXQMQACKM-BHIFYINESA-N 2 1 364.489 3.473 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060591 505385875 /nfs/dbraw/zinc/38/58/75/505385875.db2.gz PJRDKGMTGHSBRM-WNPPMXKSSA-N 2 1 371.569 3.337 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000552102843 505401107 /nfs/dbraw/zinc/40/11/07/505401107.db2.gz XIYGWIXBPKTBGT-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000552102843 505401108 /nfs/dbraw/zinc/40/11/08/505401108.db2.gz XIYGWIXBPKTBGT-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228722 505401277 /nfs/dbraw/zinc/40/12/77/505401277.db2.gz RGNQTMZSKPACRN-HOTGVXAUSA-N 2 1 355.486 3.417 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228722 505401282 /nfs/dbraw/zinc/40/12/82/505401282.db2.gz RGNQTMZSKPACRN-HOTGVXAUSA-N 2 1 355.486 3.417 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000561740422 505423378 /nfs/dbraw/zinc/42/33/78/505423378.db2.gz MMINHLYJRHUWQA-CYBMUJFWSA-N 2 1 373.310 3.220 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H]2CCC[C@H]21 ZINC000552285705 505450969 /nfs/dbraw/zinc/45/09/69/505450969.db2.gz ZKFTWURATKVPPT-IXDOHACOSA-N 2 1 365.315 3.346 20 0 FGADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000552306356 505456196 /nfs/dbraw/zinc/45/61/96/505456196.db2.gz VZAACBRZHWPXIP-OAQYLSRUSA-N 2 1 353.510 3.318 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558095 505457366 /nfs/dbraw/zinc/45/73/66/505457366.db2.gz GEESCFMPFXLBPW-MSOLQXFVSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558095 505457369 /nfs/dbraw/zinc/45/73/69/505457369.db2.gz GEESCFMPFXLBPW-MSOLQXFVSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584930 505506075 /nfs/dbraw/zinc/50/60/75/505506075.db2.gz GERIIBXGBJUOIF-VIZSFHNOSA-N 2 1 369.553 3.031 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855215 505540604 /nfs/dbraw/zinc/54/06/04/505540604.db2.gz DPSROQBLNNOAHG-DZGCQCFKSA-N 2 1 361.313 3.055 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000564993635 505566236 /nfs/dbraw/zinc/56/62/36/505566236.db2.gz JECTVQPXTNMAAO-JOCHJYFZSA-N 2 1 365.521 3.162 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000564993635 505566237 /nfs/dbraw/zinc/56/62/37/505566237.db2.gz JECTVQPXTNMAAO-JOCHJYFZSA-N 2 1 365.521 3.162 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@]12CCCO2 ZINC000567851682 505568410 /nfs/dbraw/zinc/56/84/10/505568410.db2.gz WUCDLWOPVDJRMS-SRUXOGRHSA-N 2 1 370.537 3.500 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@]12CCCO2 ZINC000567851682 505568411 /nfs/dbraw/zinc/56/84/11/505568411.db2.gz WUCDLWOPVDJRMS-SRUXOGRHSA-N 2 1 370.537 3.500 20 0 FGADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000567871983 505569520 /nfs/dbraw/zinc/56/95/20/505569520.db2.gz MMVKVBRAYQEVPP-MRXNPFEDSA-N 2 1 364.559 3.010 20 0 FGADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000567871983 505569521 /nfs/dbraw/zinc/56/95/21/505569521.db2.gz MMVKVBRAYQEVPP-MRXNPFEDSA-N 2 1 364.559 3.010 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000589203512 506483649 /nfs/dbraw/zinc/48/36/49/506483649.db2.gz LYHSHWROLGIMBJ-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000589221102 506490868 /nfs/dbraw/zinc/49/08/68/506490868.db2.gz OZOWRKCTTRRQHF-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596649165 506510407 /nfs/dbraw/zinc/51/04/07/506510407.db2.gz CCZMBULWJIPETG-NOZJJQNGSA-N 2 1 364.658 3.162 20 0 FGADMP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517340 506540382 /nfs/dbraw/zinc/54/03/82/506540382.db2.gz PVJMOBSUKSSLGH-QHCPKHFHSA-N 3 1 371.569 3.406 20 0 FGADMP c1ccc(C[NH+]2CCCCC2)c(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517340 506540390 /nfs/dbraw/zinc/54/03/90/506540390.db2.gz PVJMOBSUKSSLGH-QHCPKHFHSA-N 2 1 371.569 3.406 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000608624034 506637045 /nfs/dbraw/zinc/63/70/45/506637045.db2.gz CDLLLKXSAQHVDW-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608674012 506659186 /nfs/dbraw/zinc/65/91/86/506659186.db2.gz NEMVRGDDQZGNER-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH+]1CC ZINC000608697770 506672756 /nfs/dbraw/zinc/67/27/56/506672756.db2.gz CVAIDGGIPXQZJZ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@@H+]1CC ZINC000608697770 506672760 /nfs/dbraw/zinc/67/27/60/506672760.db2.gz CVAIDGGIPXQZJZ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000608697770 506672765 /nfs/dbraw/zinc/67/27/65/506672765.db2.gz CVAIDGGIPXQZJZ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604116672 506720206 /nfs/dbraw/zinc/72/02/06/506720206.db2.gz XRPKYRZFFFTRMP-OAQYLSRUSA-N 2 1 372.557 3.263 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000612796710 506751576 /nfs/dbraw/zinc/75/15/76/506751576.db2.gz QQCLZWDOOFPQMK-ORFBVSJDSA-N 2 1 371.569 3.178 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2o1 ZINC000593730151 506752105 /nfs/dbraw/zinc/75/21/05/506752105.db2.gz KVQLZCCGLNVTDN-SCTDSRPQSA-N 2 1 372.465 3.080 20 0 FGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc(C(C)(C)C)c3)CC2)C1 ZINC000604388499 506815256 /nfs/dbraw/zinc/81/52/56/506815256.db2.gz DQGCNQROZICQCZ-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc(C(C)(C)C)c3)CC2)C1 ZINC000604388499 506815260 /nfs/dbraw/zinc/81/52/60/506815260.db2.gz DQGCNQROZICQCZ-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963358 506841920 /nfs/dbraw/zinc/84/19/20/506841920.db2.gz MWPIAEHQDUUWCT-YLJYHZDGSA-N 2 1 370.541 3.002 20 0 FGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000593959289 506850722 /nfs/dbraw/zinc/85/07/22/506850722.db2.gz KTIOBJUZIJJNMB-NRFANRHFSA-N 2 1 359.558 3.419 20 0 FGADMP CC(C)[N@@H+](Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1)C[C@H]1CCCCO1 ZINC000613249617 506993134 /nfs/dbraw/zinc/99/31/34/506993134.db2.gz NTKMSRITRKFPND-HXUWFJFHSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1)C[C@H]1CCCCO1 ZINC000613249617 506993139 /nfs/dbraw/zinc/99/31/39/506993139.db2.gz NTKMSRITRKFPND-HXUWFJFHSA-N 2 1 373.541 3.499 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844100 507144990 /nfs/dbraw/zinc/14/49/90/507144990.db2.gz SAWRZYJNOPXPIJ-QZTJIDSGSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000600843732 507145356 /nfs/dbraw/zinc/14/53/56/507145356.db2.gz CANOKINFZPXUER-HSALFYBXSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000600843732 507145364 /nfs/dbraw/zinc/14/53/64/507145364.db2.gz CANOKINFZPXUER-HSALFYBXSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000600843732 507145369 /nfs/dbraw/zinc/14/53/69/507145369.db2.gz CANOKINFZPXUER-HSALFYBXSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000600843732 507145371 /nfs/dbraw/zinc/14/53/71/507145371.db2.gz CANOKINFZPXUER-HSALFYBXSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)Cc1ccccc1 ZINC000600862673 507149713 /nfs/dbraw/zinc/14/97/13/507149713.db2.gz CGGWLDIKNBMYDS-LEWJYISDSA-N 2 1 374.573 3.113 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000605404300 507179579 /nfs/dbraw/zinc/17/95/79/507179579.db2.gz RZVDRGONVKQERS-HDICACEKSA-N 2 1 366.509 3.345 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@@H]2CNc3ccnn3C2)C1 ZINC000595139194 507405397 /nfs/dbraw/zinc/40/53/97/507405397.db2.gz GSZGPVXERSRNKA-CEXWTWQISA-N 2 1 367.541 3.193 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662074 507473587 /nfs/dbraw/zinc/47/35/87/507473587.db2.gz MAZQZGAFDJGXMT-LEWJYISDSA-N 2 1 372.557 3.114 20 0 FGADMP C[NH+]1CCN(CCCC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1 ZINC000584760964 507488394 /nfs/dbraw/zinc/48/83/94/507488394.db2.gz ZXLZPRVFLGTQBU-UHFFFAOYSA-N 2 1 372.582 3.046 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606897807 507546432 /nfs/dbraw/zinc/54/64/32/507546432.db2.gz CMULYUDUNBAFGV-LJQANCHMSA-N 2 1 363.933 3.498 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n1C ZINC000602002985 507548994 /nfs/dbraw/zinc/54/89/94/507548994.db2.gz COXWIGNTJSJKAP-MRXNPFEDSA-N 2 1 355.482 3.127 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000595657235 507617510 /nfs/dbraw/zinc/61/75/10/507617510.db2.gz CLCQGEJWLSXOQD-UXHICEINSA-N 2 1 360.546 3.243 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000592404581 507643395 /nfs/dbraw/zinc/64/33/95/507643395.db2.gz SPCOWGPUOBCIMV-OKYOBFRVSA-N 2 1 368.562 3.223 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433664 507656382 /nfs/dbraw/zinc/65/63/82/507656382.db2.gz OFTNTHRUZKCPDQ-WOJBJXKFSA-N 2 1 374.525 3.067 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000595810064 507697343 /nfs/dbraw/zinc/69/73/43/507697343.db2.gz IQQQHZYTCHCHEU-LJQANCHMSA-N 2 1 352.567 3.062 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358515 507699942 /nfs/dbraw/zinc/69/99/42/507699942.db2.gz XGDFHEZRCPZXRS-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358515 507699946 /nfs/dbraw/zinc/69/99/46/507699946.db2.gz XGDFHEZRCPZXRS-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358515 507699948 /nfs/dbraw/zinc/69/99/48/507699948.db2.gz XGDFHEZRCPZXRS-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000607391351 507718973 /nfs/dbraw/zinc/71/89/73/507718973.db2.gz ZTQZUNJRFXKRRP-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607391351 507718981 /nfs/dbraw/zinc/71/89/81/507718981.db2.gz ZTQZUNJRFXKRRP-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607391351 507718986 /nfs/dbraw/zinc/71/89/86/507718986.db2.gz ZTQZUNJRFXKRRP-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP Cc1c(NC[C@@H]2CC[NH+]2C(C)(C)C)ncnc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000630095186 522615730 /nfs/dbraw/zinc/61/57/30/522615730.db2.gz VPRUDMBMYSRSBL-IRXDYDNUSA-N 2 1 374.577 3.354 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000643293903 568735457 /nfs/dbraw/zinc/73/54/57/568735457.db2.gz DVZLSWMFDYTQDP-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000643293903 568735459 /nfs/dbraw/zinc/73/54/59/568735459.db2.gz DVZLSWMFDYTQDP-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000643293903 568735462 /nfs/dbraw/zinc/73/54/62/568735462.db2.gz DVZLSWMFDYTQDP-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820703026 606915265 /nfs/dbraw/zinc/91/52/65/606915265.db2.gz CIRPNVGFNYWSFB-QGZVFWFLSA-N 2 1 368.529 3.343 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000826330611 607910068 /nfs/dbraw/zinc/91/00/68/607910068.db2.gz ASEUISQMLOARLV-AWEZNQCLSA-N 2 1 359.437 3.212 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)CC1CC1 ZINC000825418965 608882695 /nfs/dbraw/zinc/88/26/95/608882695.db2.gz AWNBJOPLZBEDNM-UHFFFAOYSA-N 2 1 368.529 3.201 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000825391467 609333476 /nfs/dbraw/zinc/33/34/76/609333476.db2.gz ZSTPIGCWRPRXSR-CQSZACIVSA-N 2 1 368.460 3.308 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054539 724385354 /nfs/dbraw/zinc/38/53/54/724385354.db2.gz PZIOUIUIJNMXGZ-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109786178 700537068 /nfs/dbraw/zinc/53/70/68/700537068.db2.gz GTVDCRHDLBNROH-QGZVFWFLSA-N 2 1 353.551 3.440 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000186997716 712730473 /nfs/dbraw/zinc/73/04/73/712730473.db2.gz OOZDDFRGYOJXMA-ZDUSSCGKSA-N 2 1 359.308 3.082 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955067 713716321 /nfs/dbraw/zinc/71/63/21/713716321.db2.gz OOKQXYYAKMGISX-MDZRGWNJSA-N 2 1 363.933 3.024 20 0 FGADMP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000294716671 713775357 /nfs/dbraw/zinc/77/53/57/713775357.db2.gz BRNPTRCDXHOOSF-JXFKEZNVSA-N 2 1 364.555 3.017 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc(Cl)n3)CC2)CC1 ZINC000374188661 713904363 /nfs/dbraw/zinc/90/43/63/713904363.db2.gz CJCGXPSLLRANFF-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000522077271 714169182 /nfs/dbraw/zinc/16/91/82/714169182.db2.gz YOKJXOSSMZIMKD-SFHVURJKSA-N 2 1 354.583 3.305 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cccc(Cl)c1 ZINC000523484243 714236388 /nfs/dbraw/zinc/23/63/88/714236388.db2.gz CZQBHVHIRASWCM-IBGZPJMESA-N 2 1 365.949 3.147 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000524263709 714275638 /nfs/dbraw/zinc/27/56/38/714275638.db2.gz UWWRKDJDMOOWKD-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000524263709 714275642 /nfs/dbraw/zinc/27/56/42/714275642.db2.gz UWWRKDJDMOOWKD-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000524263709 714275644 /nfs/dbraw/zinc/27/56/44/714275644.db2.gz UWWRKDJDMOOWKD-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CC(C)C1 ZINC000577506020 714465881 /nfs/dbraw/zinc/46/58/81/714465881.db2.gz MNALXQXCKIHHSX-MRXNPFEDSA-N 2 1 363.933 3.008 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 ZINC000643489067 718036298 /nfs/dbraw/zinc/03/62/98/718036298.db2.gz QLHFEAZTIJYXOH-WQVCFCJDSA-N 2 1 355.404 3.054 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3scnc32)c2cccs2)CC1 ZINC000623848910 715414844 /nfs/dbraw/zinc/41/48/44/715414844.db2.gz OPGURAZVTDFDFZ-CABCVRRESA-N 2 1 362.568 3.160 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120661 715477763 /nfs/dbraw/zinc/47/77/63/715477763.db2.gz DPCQKGXKXCDBMD-DLBZAZTESA-N 2 1 365.949 3.399 20 0 FGADMP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000629530534 716303884 /nfs/dbraw/zinc/30/38/84/716303884.db2.gz JHOJWXJIJSNUPD-MRXNPFEDSA-N 2 1 371.250 3.096 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000632896436 716838400 /nfs/dbraw/zinc/83/84/00/716838400.db2.gz ASSUIDQZAWJIKL-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP CCOc1c(Cl)cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1OC ZINC000638389155 717442946 /nfs/dbraw/zinc/44/29/46/717442946.db2.gz DTBJFVNJIRJASY-UHFFFAOYSA-N 2 1 370.921 3.072 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000638749117 717482234 /nfs/dbraw/zinc/48/22/34/717482234.db2.gz JIWNSEHVFYUYLS-SJORKVTESA-N 2 1 372.340 3.433 20 0 FGADMP C[C@@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682382 717589643 /nfs/dbraw/zinc/58/96/43/717589643.db2.gz VJTDEASZTMKRGY-AWEZNQCLSA-N 2 1 355.467 3.466 20 0 FGADMP C[C@@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682382 717589648 /nfs/dbraw/zinc/58/96/48/717589648.db2.gz VJTDEASZTMKRGY-AWEZNQCLSA-N 2 1 355.467 3.466 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1Cl)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640992446 717842919 /nfs/dbraw/zinc/84/29/19/717842919.db2.gz WBEQTGDWFMQAAL-LBPRGKRZSA-N 2 1 368.312 3.160 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524199 718118488 /nfs/dbraw/zinc/11/84/88/718118488.db2.gz ZSHOCIRBABDEHA-ZBFHGGJFSA-N 2 1 355.404 3.250 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000647544971 718366935 /nfs/dbraw/zinc/36/69/35/718366935.db2.gz WQNUCKUKVGHBJF-ZBFHGGJFSA-N 2 1 360.832 3.270 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976444 718391210 /nfs/dbraw/zinc/39/12/10/718391210.db2.gz ONVPCKPZNIULBF-SJORKVTESA-N 2 1 361.555 3.449 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976715 718391268 /nfs/dbraw/zinc/39/12/68/718391268.db2.gz SKBQNDROFQATJE-RBSFLKMASA-N 2 1 351.441 3.003 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978027 718391700 /nfs/dbraw/zinc/39/17/00/718391700.db2.gz LKOBNKKKGVHGOP-GPMSIDNRSA-N 2 1 361.917 3.157 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977944 718391732 /nfs/dbraw/zinc/39/17/32/718391732.db2.gz KBGZJEWXBYJADM-BRWVUGGUSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977944 718391733 /nfs/dbraw/zinc/39/17/33/718391733.db2.gz KBGZJEWXBYJADM-BRWVUGGUSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648160449 718401942 /nfs/dbraw/zinc/40/19/42/718401942.db2.gz IFABYEXIYNZWPM-IRXDYDNUSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648160449 718401943 /nfs/dbraw/zinc/40/19/43/718401943.db2.gz IFABYEXIYNZWPM-IRXDYDNUSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161105 718402262 /nfs/dbraw/zinc/40/22/62/718402262.db2.gz XVIXTWCRAZPUSG-AEFFLSMTSA-N 2 1 353.457 3.122 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161105 718402264 /nfs/dbraw/zinc/40/22/64/718402264.db2.gz XVIXTWCRAZPUSG-AEFFLSMTSA-N 2 1 353.457 3.122 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000649343594 718505803 /nfs/dbraw/zinc/50/58/03/718505803.db2.gz JABQLMZYZZYFKA-CCKFTAQKSA-N 2 1 357.885 3.119 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000649343594 718505806 /nfs/dbraw/zinc/50/58/06/718505806.db2.gz JABQLMZYZZYFKA-CCKFTAQKSA-N 2 1 357.885 3.119 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706484 718716891 /nfs/dbraw/zinc/71/68/91/718716891.db2.gz LVQACFBLPCTRSF-BBWFWOEESA-N 2 1 350.528 3.135 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705863 718717148 /nfs/dbraw/zinc/71/71/48/718717148.db2.gz ZAONWZMPBOSSBY-YSVLISHTSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705863 718717150 /nfs/dbraw/zinc/71/71/50/718717150.db2.gz ZAONWZMPBOSSBY-YSVLISHTSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722278 718720173 /nfs/dbraw/zinc/72/01/73/718720173.db2.gz OPTOVPSALDWHMB-IXDOHACOSA-N 2 1 353.304 3.310 20 0 FGADMP Cn1nc(Br)cc1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000785511681 724918345 /nfs/dbraw/zinc/91/83/45/724918345.db2.gz MSCNPAWWGNAIGL-UHFFFAOYSA-N 2 1 357.340 3.317 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652354269 718936414 /nfs/dbraw/zinc/93/64/14/718936414.db2.gz RJBVKJLBEQMULB-XJKSGUPXSA-N 2 1 368.319 3.227 20 0 FGADMP C[N@@H+](Cc1ccc(N2CC[C@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619198 719048408 /nfs/dbraw/zinc/04/84/08/719048408.db2.gz BZSKMEWJJNDLGQ-GGAORHGYSA-N 2 1 362.521 3.259 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3sccc3C)CC2)CC1 ZINC000654396880 719197262 /nfs/dbraw/zinc/19/72/62/719197262.db2.gz GRDPTKCWBLJKRH-UHFFFAOYSA-N 2 1 363.571 3.211 20 0 FGADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845931 719239675 /nfs/dbraw/zinc/23/96/75/719239675.db2.gz MMLKZXDOAWABDX-QAPCUYQASA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845931 719239677 /nfs/dbraw/zinc/23/96/77/719239677.db2.gz MMLKZXDOAWABDX-QAPCUYQASA-N 2 1 351.922 3.133 20 0 FGADMP FC(F)Oc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655682424 719325307 /nfs/dbraw/zinc/32/53/07/719325307.db2.gz FHYHPINICFJDFR-GOSISDBHSA-N 2 1 354.441 3.064 20 0 FGADMP Cn1cc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c2ccc(Cl)cc21 ZINC000655756495 719335583 /nfs/dbraw/zinc/33/55/83/719335583.db2.gz UDEUHNVHJMHHCO-SFHVURJKSA-N 2 1 361.917 3.217 20 0 FGADMP Cc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655799511 719341360 /nfs/dbraw/zinc/34/13/60/719341360.db2.gz HFYVRNCIDIMEHJ-MRXNPFEDSA-N 2 1 353.304 3.100 20 0 FGADMP C[C@@]1(O)CCC[N@@H+](CCCCCCCCC[NH+]2CCC[C@](C)(O)C2)C1 ZINC000781903672 724609766 /nfs/dbraw/zinc/60/97/66/724609766.db2.gz GJSFAPDMVBWCGF-OYRHEFFESA-N 2 1 354.579 3.411 20 0 FGADMP C[C@@]1(O)CCC[NH+](CCCCCCCCC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000781903672 724609768 /nfs/dbraw/zinc/60/97/68/724609768.db2.gz GJSFAPDMVBWCGF-OYRHEFFESA-N 2 1 354.579 3.411 20 0 FGADMP C[C@@]1(O)CCC[NH+](CCCCCCCCC[N@H+]2CCC[C@](C)(O)C2)C1 ZINC000781903672 724609770 /nfs/dbraw/zinc/60/97/70/724609770.db2.gz GJSFAPDMVBWCGF-OYRHEFFESA-N 2 1 354.579 3.411 20 0 FGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000782094290 724628460 /nfs/dbraw/zinc/62/84/60/724628460.db2.gz ACLKKVCYUXQSLB-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCn1cc[nH+]c1C ZINC000782094290 724628462 /nfs/dbraw/zinc/62/84/62/724628462.db2.gz ACLKKVCYUXQSLB-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC2([NH3+])CCCC2)CC1)CC(C)C ZINC000659572789 719926127 /nfs/dbraw/zinc/92/61/27/719926127.db2.gz INAPPWMZBPRCBR-UHFFFAOYSA-N 2 1 352.567 3.048 20 0 FGADMP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978940 719967016 /nfs/dbraw/zinc/96/70/16/719967016.db2.gz IIOFKPKCVOELOP-RBUKOAKNSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978940 719967018 /nfs/dbraw/zinc/96/70/18/719967018.db2.gz IIOFKPKCVOELOP-RBUKOAKNSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659978940 719967021 /nfs/dbraw/zinc/96/70/21/719967021.db2.gz IIOFKPKCVOELOP-RBUKOAKNSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659978940 719967025 /nfs/dbraw/zinc/96/70/25/719967025.db2.gz IIOFKPKCVOELOP-RBUKOAKNSA-N 2 1 350.453 3.399 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660654137 720090356 /nfs/dbraw/zinc/09/03/56/720090356.db2.gz DMBWYCXADFABJI-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654137 720090360 /nfs/dbraw/zinc/09/03/60/720090360.db2.gz DMBWYCXADFABJI-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251092 720405216 /nfs/dbraw/zinc/40/52/16/720405216.db2.gz YOUNIVDGWJNCQN-INIZCTEOSA-N 2 1 353.304 3.181 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272043 720408005 /nfs/dbraw/zinc/40/80/05/720408005.db2.gz BYRYEEAUOXPTEB-KBPBESRZSA-N 2 1 368.319 3.064 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272043 720408010 /nfs/dbraw/zinc/40/80/10/720408010.db2.gz BYRYEEAUOXPTEB-KBPBESRZSA-N 2 1 368.319 3.064 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1F ZINC000662296767 720411435 /nfs/dbraw/zinc/41/14/35/720411435.db2.gz NAOMRSOJQWUTHZ-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1F ZINC000662296767 720411439 /nfs/dbraw/zinc/41/14/39/720411439.db2.gz NAOMRSOJQWUTHZ-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297889 720412041 /nfs/dbraw/zinc/41/20/41/720412041.db2.gz SSOYQDALPAZTEF-DOTOQJQBSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccc(Cl)cc1 ZINC000662312242 720414276 /nfs/dbraw/zinc/41/42/76/720414276.db2.gz AGTXXGRYIATATG-IIDMSEBBSA-N 2 1 351.922 3.357 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)[C@@H]1CCC[NH3+] ZINC000662314582 720414540 /nfs/dbraw/zinc/41/45/40/720414540.db2.gz OFNMSYVSUDGGBH-UKRRQHHQSA-N 2 1 357.951 3.199 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000662425837 720427205 /nfs/dbraw/zinc/42/72/05/720427205.db2.gz JGLCWGCSENMKDU-IRXDYDNUSA-N 2 1 351.560 3.087 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662470371 720431659 /nfs/dbraw/zinc/43/16/59/720431659.db2.gz GKLFYMSZBLOWHV-CXAGYDPISA-N 2 1 370.324 3.198 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000662474429 720432279 /nfs/dbraw/zinc/43/22/79/720432279.db2.gz WYYBFIOABVTVJM-FCEWJHQRSA-N 2 1 351.560 3.258 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662513414 720437165 /nfs/dbraw/zinc/43/71/65/720437165.db2.gz VVDSNSDVTCTNIF-XVSDVWIESA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662513414 720437166 /nfs/dbraw/zinc/43/71/66/720437166.db2.gz VVDSNSDVTCTNIF-XVSDVWIESA-N 2 1 367.896 3.119 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000662597770 720444788 /nfs/dbraw/zinc/44/47/88/720444788.db2.gz PCQPAGGMTWVIOP-IEBWSBKVSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1Cl ZINC000662663872 720450863 /nfs/dbraw/zinc/45/08/63/720450863.db2.gz LTTMLZQFHOIKRY-IBGZPJMESA-N 2 1 357.885 3.018 20 0 FGADMP C[NH2+][C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684733 720452361 /nfs/dbraw/zinc/45/23/61/720452361.db2.gz HPWKYTWQLKRWIZ-MLGOLLRUSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684733 720452364 /nfs/dbraw/zinc/45/23/64/720452364.db2.gz HPWKYTWQLKRWIZ-MLGOLLRUSA-N 2 1 358.313 3.054 20 0 FGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000665267048 720748751 /nfs/dbraw/zinc/74/87/51/720748751.db2.gz ORGIZUMZNUSFCG-MRVWCRGKSA-N 2 1 359.333 3.066 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665557049 720785435 /nfs/dbraw/zinc/78/54/35/720785435.db2.gz LISOETMIXJPLCD-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665557049 720785441 /nfs/dbraw/zinc/78/54/41/720785441.db2.gz LISOETMIXJPLCD-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665557049 720785448 /nfs/dbraw/zinc/78/54/48/720785448.db2.gz LISOETMIXJPLCD-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](CC)CC)Cc2cccs2)C1 ZINC000666928959 721001917 /nfs/dbraw/zinc/00/19/17/721001917.db2.gz XZAVFFXZVSHWHW-QGZVFWFLSA-N 2 1 366.575 3.086 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc4ccncc4s3)CC2)CC1 ZINC000667688197 721158656 /nfs/dbraw/zinc/15/86/56/721158656.db2.gz ISCKRRYTGIYBTJ-UHFFFAOYSA-N 2 1 358.555 3.287 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000668784551 721356566 /nfs/dbraw/zinc/35/65/66/721356566.db2.gz FHHIVDQFNJCQRO-WMZOPIPTSA-N 2 1 352.494 3.056 20 0 FGADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000675640868 721764709 /nfs/dbraw/zinc/76/47/09/721764709.db2.gz HMNAROKMVIYOAO-OAHLLOKOSA-N 2 1 371.294 3.321 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000677241229 721875929 /nfs/dbraw/zinc/87/59/29/721875929.db2.gz NUFCYBLATDCCIN-FVQBIDKESA-N 2 1 353.304 3.433 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000678594677 721966175 /nfs/dbraw/zinc/96/61/75/721966175.db2.gz JHBPJBMWYUBQTK-LSTHTHJFSA-N 2 1 352.494 3.240 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679676093 722039865 /nfs/dbraw/zinc/03/98/65/722039865.db2.gz UZZKSTADOCOAFM-QGZVFWFLSA-N 2 1 355.404 3.397 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000679676093 722039868 /nfs/dbraw/zinc/03/98/68/722039868.db2.gz UZZKSTADOCOAFM-QGZVFWFLSA-N 2 1 355.404 3.397 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CNc2cc[nH+]cc2Cl)cc1OC ZINC000685904427 722407750 /nfs/dbraw/zinc/40/77/50/722407750.db2.gz CDIWBBQFVNMBOJ-UHFFFAOYSA-N 2 1 363.889 3.498 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000709283461 722412888 /nfs/dbraw/zinc/41/28/88/722412888.db2.gz DKBHZRPBLMCYMO-RANZSIQMSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000720623445 722419417 /nfs/dbraw/zinc/41/94/17/722419417.db2.gz MBFLNOAIBGVGJB-IEBNGJLISA-N 2 1 351.535 3.237 20 0 FGADMP C[C@](O)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115762 722420923 /nfs/dbraw/zinc/42/09/23/722420923.db2.gz NJDRXQRYJWWFDT-GJZGRUSLSA-N 2 1 366.374 3.047 20 0 FGADMP CC(C)[C@H](C)[N@H+]1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000726496569 722435655 /nfs/dbraw/zinc/43/56/55/722435655.db2.gz ZIQYEICITHCGLR-HNNXBMFYSA-N 2 1 360.571 3.427 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000727469574 722444873 /nfs/dbraw/zinc/44/48/73/722444873.db2.gz ZMSSIPVBUDOZHH-GOSISDBHSA-N 2 1 353.551 3.345 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144746 723623592 /nfs/dbraw/zinc/62/35/92/723623592.db2.gz YJPGLTKIBJLKLN-SJLPKXTDSA-N 2 1 356.432 3.342 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144746 723623593 /nfs/dbraw/zinc/62/35/93/723623593.db2.gz YJPGLTKIBJLKLN-SJLPKXTDSA-N 2 1 356.432 3.342 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000796699873 723650885 /nfs/dbraw/zinc/65/08/85/723650885.db2.gz BFYVILBNYQXYDT-QGZVFWFLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000796699873 723650886 /nfs/dbraw/zinc/65/08/86/723650886.db2.gz BFYVILBNYQXYDT-QGZVFWFLSA-N 2 1 353.551 3.344 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)[C@H](C)C1 ZINC000773133645 723777350 /nfs/dbraw/zinc/77/73/50/723777350.db2.gz HLLYHHNYLKGNAY-WKULXVSPSA-N 2 1 358.617 3.093 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178912 723995497 /nfs/dbraw/zinc/99/54/97/723995497.db2.gz QRSAKSSPIVSJNV-MRXNPFEDSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000799178330 723995606 /nfs/dbraw/zinc/99/56/06/723995606.db2.gz MFMJTCGIDIHKMT-MRXNPFEDSA-N 2 1 363.933 3.325 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000775838845 724069860 /nfs/dbraw/zinc/06/98/60/724069860.db2.gz RDSMPQUHUZCCAK-SJORKVTESA-N 2 1 369.347 3.159 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000775838845 724069866 /nfs/dbraw/zinc/06/98/66/724069866.db2.gz RDSMPQUHUZCCAK-SJORKVTESA-N 2 1 369.347 3.159 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000775838822 724070016 /nfs/dbraw/zinc/07/00/16/724070016.db2.gz RDSMPQUHUZCCAK-DLBZAZTESA-N 2 1 369.347 3.159 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000775838822 724070022 /nfs/dbraw/zinc/07/00/22/724070022.db2.gz RDSMPQUHUZCCAK-DLBZAZTESA-N 2 1 369.347 3.159 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(Br)nn2C)c1 ZINC000785435353 724911913 /nfs/dbraw/zinc/91/19/13/724911913.db2.gz BESBYMXZPKTFMH-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP C[NH+]1CCC([NH2+][C@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788501617 725068297 /nfs/dbraw/zinc/06/82/97/725068297.db2.gz FWHZOMSWKXCOLO-ZWKOTPCHSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCCC[C@@H]1C ZINC000788526849 725070615 /nfs/dbraw/zinc/07/06/15/725070615.db2.gz FXCWZAMIEKLSAM-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCCC[C@@H]1C ZINC000788526849 725070617 /nfs/dbraw/zinc/07/06/17/725070617.db2.gz FXCWZAMIEKLSAM-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP Cn1c2ccc(C[N@@H+](C)Cc3ccc(C[NH+](C)C)cc3)cc2sc1=O ZINC000809738784 725264145 /nfs/dbraw/zinc/26/41/45/725264145.db2.gz JQJBYNPHLNZURH-UHFFFAOYSA-N 2 1 355.507 3.294 20 0 FGADMP CCC[NH+]1CCC([N@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000810246017 725299454 /nfs/dbraw/zinc/29/94/54/725299454.db2.gz LFEJVIHCDBFPIH-OXQOHEQNSA-N 2 1 353.551 3.344 20 0 FGADMP C[N@@H+](CCCOC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627608 725318619 /nfs/dbraw/zinc/31/86/19/725318619.db2.gz UTJUVCHZUXODGO-FQEVSTJZSA-N 2 1 350.478 3.264 20 0 FGADMP C[NH+](CCCOC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627608 725318621 /nfs/dbraw/zinc/31/86/21/725318621.db2.gz UTJUVCHZUXODGO-FQEVSTJZSA-N 2 1 350.478 3.264 20 0 FGADMP C[NH+](CCCOC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627608 725318622 /nfs/dbraw/zinc/31/86/22/725318622.db2.gz UTJUVCHZUXODGO-FQEVSTJZSA-N 2 1 350.478 3.264 20 0 FGADMP C[N@@H+](CCc1ccc(F)cc1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000811506800 725370730 /nfs/dbraw/zinc/37/07/30/725370730.db2.gz GGPMYPQRQUZOML-GOSISDBHSA-N 2 1 353.913 3.122 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819181793 727355497 /nfs/dbraw/zinc/35/54/97/727355497.db2.gz BAWMKILPXJPTKS-YJBOKZPZSA-N 2 1 369.347 3.440 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000819278026 727363800 /nfs/dbraw/zinc/36/38/00/727363800.db2.gz KETSLSPGUAAXAV-OFLPRAFFSA-N 2 1 353.304 3.089 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823414254 729278207 /nfs/dbraw/zinc/27/82/07/729278207.db2.gz SWMCLKNAUAJULG-OXQOHEQNSA-N 2 1 351.535 3.050 20 0 FGADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000823851545 729309174 /nfs/dbraw/zinc/30/91/74/729309174.db2.gz OKULQBUIDFGIJV-FBPXKMNZSA-N 2 1 350.547 3.490 20 0 FGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2F)CC1 ZINC000823961233 729313952 /nfs/dbraw/zinc/31/39/52/729313952.db2.gz PKNGUHDMAPWQOZ-UHFFFAOYSA-N 2 1 363.864 3.121 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000824384195 729335232 /nfs/dbraw/zinc/33/52/32/729335232.db2.gz ZGKSZFDHZOXSDX-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000838504386 730125296 /nfs/dbraw/zinc/12/52/96/730125296.db2.gz YMDTUOARSRWZLG-IBGZPJMESA-N 2 1 352.567 3.157 20 0 FGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810342 730177671 /nfs/dbraw/zinc/17/76/71/730177671.db2.gz RWAWHJQBEIXLAU-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000843352634 730609540 /nfs/dbraw/zinc/60/95/40/730609540.db2.gz POHAMIKBKCMJOG-UHFFFAOYSA-N 2 1 357.470 3.261 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363434 730610894 /nfs/dbraw/zinc/61/08/94/730610894.db2.gz GQTGVOMTHXFFDK-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363434 730610896 /nfs/dbraw/zinc/61/08/96/730610896.db2.gz GQTGVOMTHXFFDK-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000846812918 730983143 /nfs/dbraw/zinc/98/31/43/730983143.db2.gz WDJGPQYVCNOFQS-UHFFFAOYSA-N 2 1 350.507 3.120 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000846812918 730983147 /nfs/dbraw/zinc/98/31/47/730983147.db2.gz WDJGPQYVCNOFQS-UHFFFAOYSA-N 2 1 350.507 3.120 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(C)s3)CC2)CC1 ZINC000847379446 731050892 /nfs/dbraw/zinc/05/08/92/731050892.db2.gz GASHBTJVDGWNIQ-MRXNPFEDSA-N 2 1 363.571 3.430 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529045 731176049 /nfs/dbraw/zinc/17/60/49/731176049.db2.gz QRIRFJDVXUVUAO-ZWKOTPCHSA-N 2 1 373.324 3.260 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000848534075 731176739 /nfs/dbraw/zinc/17/67/39/731176739.db2.gz PDBFJNYBCFVABK-OHNRDTAOSA-N 2 1 370.896 3.134 20 0 FGADMP C[C@@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112952 731230620 /nfs/dbraw/zinc/23/06/20/731230620.db2.gz GFVIXMXNALNWEA-TZMCWYRMSA-N 2 1 373.328 3.015 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)C1 ZINC000850357354 731347997 /nfs/dbraw/zinc/34/79/97/731347997.db2.gz GRVVDYVDUKJQPY-INIZCTEOSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)C1 ZINC000850357354 731348004 /nfs/dbraw/zinc/34/80/04/731348004.db2.gz GRVVDYVDUKJQPY-INIZCTEOSA-N 2 1 366.292 3.245 20 0 FGADMP Cn1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cnc1Cl ZINC000850402642 731352957 /nfs/dbraw/zinc/35/29/57/731352957.db2.gz QXCXPARVTMATBG-KRWDZBQOSA-N 2 1 358.917 3.465 20 0 FGADMP Cn1c(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cnc1Cl ZINC000850402642 731352959 /nfs/dbraw/zinc/35/29/59/731352959.db2.gz QXCXPARVTMATBG-KRWDZBQOSA-N 2 1 358.917 3.465 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000852745974 731629315 /nfs/dbraw/zinc/62/93/15/731629315.db2.gz FYHAFPCQULJWMP-HOTGVXAUSA-N 2 1 366.937 3.159 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000853819859 731758600 /nfs/dbraw/zinc/75/86/00/731758600.db2.gz CVWMGZYAVJPNIG-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555040 732038270 /nfs/dbraw/zinc/03/82/70/732038270.db2.gz XZPVYPHIYBIXHE-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555040 732038275 /nfs/dbraw/zinc/03/82/75/732038275.db2.gz XZPVYPHIYBIXHE-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555040 732038282 /nfs/dbraw/zinc/03/82/82/732038282.db2.gz XZPVYPHIYBIXHE-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C)nc2Br)cc1 ZINC000858090877 732179618 /nfs/dbraw/zinc/17/96/18/732179618.db2.gz UVLSKJGKUQDTNN-UHFFFAOYSA-N 2 1 365.319 3.314 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911027 733901507 /nfs/dbraw/zinc/90/15/07/733901507.db2.gz PYUJYBWPUIILRG-DRRHNWJESA-N 2 1 367.896 3.106 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)n1 ZINC000872151785 735596557 /nfs/dbraw/zinc/59/65/57/735596557.db2.gz MWKTUDISOPQZPQ-DOTOQJQBSA-N 2 1 352.404 3.058 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)n1 ZINC000872151785 735596559 /nfs/dbraw/zinc/59/65/59/735596559.db2.gz MWKTUDISOPQZPQ-DOTOQJQBSA-N 2 1 352.404 3.058 20 0 FGADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cs1 ZINC000873243459 735743249 /nfs/dbraw/zinc/74/32/49/735743249.db2.gz LJVDQKBIRRVHFY-CYBMUJFWSA-N 2 1 356.499 3.157 20 0 FGADMP C[N@@H+](C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000876690559 736132059 /nfs/dbraw/zinc/13/20/59/736132059.db2.gz NBBYZXKMECKNIY-AWEZNQCLSA-N 2 1 367.456 3.106 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000876897877 736160127 /nfs/dbraw/zinc/16/01/27/736160127.db2.gz HRVOADQXHSITEX-JQHSSLGASA-N 2 1 351.535 3.238 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876951919 736167117 /nfs/dbraw/zinc/16/71/17/736167117.db2.gz RLGSARGQHUDMFV-SHACYNPGSA-N 2 1 350.403 3.388 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3CC(F)(F)F)CC2)CC1 ZINC000877746989 736713119 /nfs/dbraw/zinc/71/31/19/736713119.db2.gz QNAIGSPYRMOSBK-UHFFFAOYSA-N 2 1 355.448 3.003 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878020773 736758642 /nfs/dbraw/zinc/75/86/42/736758642.db2.gz QDLHPPVVALVMIB-OTWHNJEPSA-N 2 1 351.579 3.071 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247785 736972170 /nfs/dbraw/zinc/97/21/70/736972170.db2.gz GCWNNIHPMNIXAO-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCSC3)c1 ZINC000882932517 737504560 /nfs/dbraw/zinc/50/45/60/737504560.db2.gz ILQXJVRHPXWOQD-UHFFFAOYSA-N 2 1 358.555 3.339 20 0 FGADMP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000883279929 737545557 /nfs/dbraw/zinc/54/55/57/737545557.db2.gz LDKPUUCITLOQFB-IRXDYDNUSA-N 2 1 351.535 3.383 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)nc1C ZINC000883448304 737567379 /nfs/dbraw/zinc/56/73/79/737567379.db2.gz AGRLAMLSJRCUNH-INIZCTEOSA-N 2 1 365.543 3.197 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884206223 737643006 /nfs/dbraw/zinc/64/30/06/737643006.db2.gz PGNXFBDTQOBMCC-INIZCTEOSA-N 2 1 357.420 3.086 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000892510123 740009774 /nfs/dbraw/zinc/00/97/74/740009774.db2.gz HVOALRFRTOXBOJ-LBPRGKRZSA-N 2 1 355.408 3.097 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3C[C@@]3(C)Br)CCCC2)CC1 ZINC000892971769 740064283 /nfs/dbraw/zinc/06/42/83/740064283.db2.gz UFIDESVUXRUHRO-GDBMZVCRSA-N 2 1 359.352 3.173 20 0 FGADMP C[N@@H+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748500 742326979 /nfs/dbraw/zinc/32/69/79/742326979.db2.gz MVEHUYCBEPFNDJ-JKXDFHQYSA-N 2 1 361.477 3.092 20 0 FGADMP C[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748500 742326986 /nfs/dbraw/zinc/32/69/86/742326986.db2.gz MVEHUYCBEPFNDJ-JKXDFHQYSA-N 2 1 361.477 3.092 20 0 FGADMP C[NH+](C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748500 742326993 /nfs/dbraw/zinc/32/69/93/742326993.db2.gz MVEHUYCBEPFNDJ-JKXDFHQYSA-N 2 1 361.477 3.092 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2ccnc(Cl)c2s1 ZINC000894769269 742331486 /nfs/dbraw/zinc/33/14/86/742331486.db2.gz APIVKMPLUUMNSX-UHFFFAOYSA-N 2 1 352.935 3.019 20 0 FGADMP CCC1([NH+]2CCCCC2)CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000895554240 742426101 /nfs/dbraw/zinc/42/61/01/742426101.db2.gz UCXPUYUUXJQNLC-UHFFFAOYSA-N 2 1 350.576 3.435 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000895587366 742430179 /nfs/dbraw/zinc/43/01/79/742430179.db2.gz QBJJSHZDJLZRPY-JONQDZQNSA-N 2 1 364.452 3.218 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1C(F)(F)F ZINC000903082327 743803191 /nfs/dbraw/zinc/80/31/91/743803191.db2.gz YQOWCEGSBKEYCY-BDCDKBNASA-N 2 1 354.416 3.486 20 0 FGADMP [NH3+]CC1([C@@H]2CCCC[N@H+]2CCC(=O)N2CCc3sccc3C2)CCC1 ZINC000903813831 743885753 /nfs/dbraw/zinc/88/57/53/743885753.db2.gz IVLSDRXGBXUWFK-SFHVURJKSA-N 2 1 361.555 3.006 20 0 FGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903885665 743892424 /nfs/dbraw/zinc/89/24/24/743892424.db2.gz IOTJOYQRTMCQLO-DLBZAZTESA-N 2 1 359.905 3.063 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932831 743900511 /nfs/dbraw/zinc/90/05/11/743900511.db2.gz WECAQIZCLFNTDQ-WMLDXEAASA-N 2 1 359.905 3.018 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688963 758770959 /nfs/dbraw/zinc/77/09/59/758770959.db2.gz MVLBPIYLXOKYRU-KZNAEPCWSA-N 2 1 353.551 3.390 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921685717 758771083 /nfs/dbraw/zinc/77/10/83/758771083.db2.gz KVZSUXGYUXCOHE-OIISXLGYSA-N 2 1 350.507 3.111 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389306 758910573 /nfs/dbraw/zinc/91/05/73/758910573.db2.gz IPXJNQSUEAXXNG-GNSPCKGOSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@@H]1C(C)C ZINC000922392789 758912939 /nfs/dbraw/zinc/91/29/39/758912939.db2.gz OASSBASLNBMIRV-PDOICOKGSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@@H]1C(C)C ZINC000922392789 758912942 /nfs/dbraw/zinc/91/29/42/758912942.db2.gz OASSBASLNBMIRV-PDOICOKGSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@H]1C(C)C ZINC000922395338 758913554 /nfs/dbraw/zinc/91/35/54/758913554.db2.gz VMRVIQOTTLAANZ-PSBWJHGTSA-N 2 1 356.432 3.063 20 0 FGADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923291225 759095846 /nfs/dbraw/zinc/09/58/46/759095846.db2.gz CBLLXVIIHOFMME-GOSISDBHSA-N 2 1 356.432 3.073 20 0 FGADMP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc(Nc3ccccc3)n1)CC2 ZINC000923453022 759120973 /nfs/dbraw/zinc/12/09/73/759120973.db2.gz YDLBCALNVGNIEX-KRWDZBQOSA-N 2 1 358.511 3.217 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923499022 759131839 /nfs/dbraw/zinc/13/18/39/759131839.db2.gz QELHUEXAJCSHBJ-CJNGLKHVSA-N 2 1 359.495 3.013 20 0 FGADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923499975 759133534 /nfs/dbraw/zinc/13/35/34/759133534.db2.gz PIQWNJYFOBUYFP-WCQYABFASA-N 2 1 354.376 3.172 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@@H]1C[NH3+] ZINC000923499974 759133745 /nfs/dbraw/zinc/13/37/45/759133745.db2.gz PIQWNJYFOBUYFP-DGCLKSJQSA-N 2 1 354.376 3.172 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000924933568 759419788 /nfs/dbraw/zinc/41/97/88/759419788.db2.gz WCBCXWVYVCZJLD-CTXDPNEZSA-N 2 1 364.555 3.160 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925655105 759518508 /nfs/dbraw/zinc/51/85/08/759518508.db2.gz PTYOIYYBOBHSET-CVEARBPZSA-N 2 1 357.420 3.281 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Br)c1 ZINC000925777459 759535881 /nfs/dbraw/zinc/53/58/81/759535881.db2.gz DXAVESJUHQZVIU-GXSJLCMTSA-N 2 1 351.210 3.484 20 0 FGADMP Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)c1 ZINC000925900143 759571034 /nfs/dbraw/zinc/57/10/34/759571034.db2.gz UHKBGTNEBSFROY-IYBDPMFKSA-N 2 1 362.905 3.081 20 0 FGADMP Cc1cc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1Cl ZINC000926173729 759668460 /nfs/dbraw/zinc/66/84/60/759668460.db2.gz DZZIYHGKGRACAD-CALCHBBNSA-N 2 1 362.905 3.081 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)[C@@H]1C(C)C ZINC000926881270 759836638 /nfs/dbraw/zinc/83/66/38/759836638.db2.gz SPHUJNBLWXGACN-QKMNUUQDSA-N 2 1 363.933 3.182 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000927124892 759899712 /nfs/dbraw/zinc/89/97/12/759899712.db2.gz RFGYISHGIVZNQC-WKULXVSPSA-N 2 1 351.535 3.142 20 0 FGADMP C[N@@H+](CCSc1ccncc1)C1CCN(CCc2ccccn2)CC1 ZINC000929798896 760458568 /nfs/dbraw/zinc/45/85/68/760458568.db2.gz SEFUWZZSEKFKNJ-UHFFFAOYSA-N 2 1 356.539 3.208 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000929841084 760468184 /nfs/dbraw/zinc/46/81/84/760468184.db2.gz KBJFDBKFBPSICY-QUCCMNQESA-N 2 1 352.563 3.019 20 0 FGADMP C[N@@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930460009 760616366 /nfs/dbraw/zinc/61/63/66/760616366.db2.gz KJHHWXXZEPDLSO-WXCOAYGQSA-N 2 1 351.535 3.237 20 0 FGADMP C[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930460009 760616371 /nfs/dbraw/zinc/61/63/71/760616371.db2.gz KJHHWXXZEPDLSO-WXCOAYGQSA-N 2 1 351.535 3.237 20 0 FGADMP C[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930460009 760616376 /nfs/dbraw/zinc/61/63/76/760616376.db2.gz KJHHWXXZEPDLSO-WXCOAYGQSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccccc2Cl)CC[N@H+]1C ZINC000960007061 762730908 /nfs/dbraw/zinc/73/09/08/762730908.db2.gz AFLGKIIXCYFIGP-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[NH+](C/C=C/Cl)C3)CC2)CC[N@H+]1C ZINC000961373271 762746868 /nfs/dbraw/zinc/74/68/68/762746868.db2.gz NMFNAEPXAOTCIG-UTUZXDLFSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[N@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC000961373271 762746869 /nfs/dbraw/zinc/74/68/69/762746869.db2.gz NMFNAEPXAOTCIG-UTUZXDLFSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC000961373271 762746871 /nfs/dbraw/zinc/74/68/71/762746871.db2.gz NMFNAEPXAOTCIG-UTUZXDLFSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(Cl)Cl)CC[N@@H+]1C ZINC000968863900 762843334 /nfs/dbraw/zinc/84/33/34/762843334.db2.gz MDCUUMKWVOSOBC-RBSFLKMASA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[NH+]2CC=C(Cl)Cl)CC[N@H+]1C ZINC000968863900 762843348 /nfs/dbraw/zinc/84/33/48/762843348.db2.gz MDCUUMKWVOSOBC-RBSFLKMASA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CC=C(Cl)Cl)CC[NH+]1C ZINC000968863900 762843357 /nfs/dbraw/zinc/84/33/57/762843357.db2.gz MDCUUMKWVOSOBC-RBSFLKMASA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCCC[N@H+]2CC=C(Cl)Cl)CC[NH+]1C ZINC000968863900 762843366 /nfs/dbraw/zinc/84/33/66/762843366.db2.gz MDCUUMKWVOSOBC-RBSFLKMASA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000999200001 765145326 /nfs/dbraw/zinc/14/53/26/765145326.db2.gz KAJHCHSVLPYZHP-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001020174902 765866957 /nfs/dbraw/zinc/86/69/57/765866957.db2.gz XCCSCBIWSWCQSJ-QSGLGXSPSA-N 2 1 363.933 3.368 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2Cl)CC[N@@H+]1C ZINC001024446965 766052814 /nfs/dbraw/zinc/05/28/14/766052814.db2.gz MNFWPWXZZGNYHS-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2Cl)CC[N@H+]1C ZINC001024446965 766052822 /nfs/dbraw/zinc/05/28/22/766052822.db2.gz MNFWPWXZZGNYHS-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001024446965 766052829 /nfs/dbraw/zinc/05/28/29/766052829.db2.gz MNFWPWXZZGNYHS-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001024446965 766052832 /nfs/dbraw/zinc/05/28/32/766052832.db2.gz MNFWPWXZZGNYHS-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001024447627 766053637 /nfs/dbraw/zinc/05/36/37/766053637.db2.gz YWGGQAPDCRWXLZ-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001024447627 766053643 /nfs/dbraw/zinc/05/36/43/766053643.db2.gz YWGGQAPDCRWXLZ-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001024447627 766053649 /nfs/dbraw/zinc/05/36/49/766053649.db2.gz YWGGQAPDCRWXLZ-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001024447627 766053654 /nfs/dbraw/zinc/05/36/54/766053654.db2.gz YWGGQAPDCRWXLZ-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001026855740 766083580 /nfs/dbraw/zinc/08/35/80/766083580.db2.gz MOPNBXUQUAMQNN-NZSAHSFTSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001028551408 766124465 /nfs/dbraw/zinc/12/44/65/766124465.db2.gz OLSYTGZOQZKNCL-OFQRWUPVSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001028551408 766124470 /nfs/dbraw/zinc/12/44/70/766124470.db2.gz OLSYTGZOQZKNCL-OFQRWUPVSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001028551408 766124475 /nfs/dbraw/zinc/12/44/75/766124475.db2.gz OLSYTGZOQZKNCL-OFQRWUPVSA-N 2 1 369.962 3.070 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033090457 766204928 /nfs/dbraw/zinc/20/49/28/766204928.db2.gz AZWIPHMSUHWIMQ-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090457 766204932 /nfs/dbraw/zinc/20/49/32/766204932.db2.gz AZWIPHMSUHWIMQ-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033090457 766204937 /nfs/dbraw/zinc/20/49/37/766204937.db2.gz AZWIPHMSUHWIMQ-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001033096753 766206887 /nfs/dbraw/zinc/20/68/87/766206887.db2.gz PXYYNQLONSGNHJ-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001033096753 766206894 /nfs/dbraw/zinc/20/68/94/766206894.db2.gz PXYYNQLONSGNHJ-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001033096753 766206901 /nfs/dbraw/zinc/20/69/01/766206901.db2.gz PXYYNQLONSGNHJ-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001033096753 766206908 /nfs/dbraw/zinc/20/69/08/766206908.db2.gz PXYYNQLONSGNHJ-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001034214968 766232737 /nfs/dbraw/zinc/23/27/37/766232737.db2.gz SMULSQYBCDXBNB-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001034214968 766232739 /nfs/dbraw/zinc/23/27/39/766232739.db2.gz SMULSQYBCDXBNB-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001034214968 766232741 /nfs/dbraw/zinc/23/27/41/766232741.db2.gz SMULSQYBCDXBNB-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001045044574 766505728 /nfs/dbraw/zinc/50/57/28/766505728.db2.gz NWIRTHILSQDTSZ-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001045444812 766537628 /nfs/dbraw/zinc/53/76/28/766537628.db2.gz XQJFINKIENHYMK-ZWKOTPCHSA-N 2 1 363.571 3.258 20 0 FGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OCc3c(C)noc3C)c(OC)c2)CC1 ZINC000022778866 257334209 /nfs/dbraw/zinc/33/42/09/257334209.db2.gz OOPHOWIDSCNLPW-UHFFFAOYSA-N 2 1 373.497 3.453 20 0 FGADMP CCn1nc(C)c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000576750271 505585504 /nfs/dbraw/zinc/58/55/04/505585504.db2.gz WLRADASWNNNHNL-NHCUHLMSSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000576750271 505585510 /nfs/dbraw/zinc/58/55/10/505585510.db2.gz WLRADASWNNNHNL-NHCUHLMSSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000576750271 505585514 /nfs/dbraw/zinc/58/55/14/505585514.db2.gz WLRADASWNNNHNL-NHCUHLMSSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1C ZINC000576750271 505585517 /nfs/dbraw/zinc/58/55/17/505585517.db2.gz WLRADASWNNNHNL-NHCUHLMSSA-N 2 1 352.526 3.474 20 0 FGADMP COc1cc(Br)ccc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000576834648 505606125 /nfs/dbraw/zinc/60/61/25/505606125.db2.gz NGGLGZYECQJGSA-LBPRGKRZSA-N 2 1 352.276 3.475 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000568104014 505617064 /nfs/dbraw/zinc/61/70/64/505617064.db2.gz WMKWIAVLHZNZEX-UHFFFAOYSA-N 2 1 356.470 3.135 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000568104014 505617068 /nfs/dbraw/zinc/61/70/68/505617068.db2.gz WMKWIAVLHZNZEX-UHFFFAOYSA-N 2 1 356.470 3.135 20 0 FGADMP CC(C)[C@H](CNC(=O)c1ccccc1CC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000568153636 505628894 /nfs/dbraw/zinc/62/88/94/505628894.db2.gz PCZRILBTXWTPAD-QFIPXVFZSA-N 2 1 365.521 3.001 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000568159702 505630957 /nfs/dbraw/zinc/63/09/57/505630957.db2.gz AACILXUDKFQDQE-UHFFFAOYSA-N 2 1 374.529 3.065 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000571101866 505654254 /nfs/dbraw/zinc/65/42/54/505654254.db2.gz OSPPOOLRUIZIAK-YLJYHZDGSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000571101866 505654256 /nfs/dbraw/zinc/65/42/56/505654256.db2.gz OSPPOOLRUIZIAK-YLJYHZDGSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000571101866 505654259 /nfs/dbraw/zinc/65/42/59/505654259.db2.gz OSPPOOLRUIZIAK-YLJYHZDGSA-N 2 1 357.498 3.024 20 0 FGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000577106130 505665621 /nfs/dbraw/zinc/66/56/21/505665621.db2.gz HGYIVXCKVRJAOK-OAHLLOKOSA-N 2 1 374.356 3.386 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126690 493837672 /nfs/dbraw/zinc/83/76/72/493837672.db2.gz DSPSFIVPPCPUPZ-LEWJYISDSA-N 2 1 351.494 3.022 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126690 493837676 /nfs/dbraw/zinc/83/76/76/493837676.db2.gz DSPSFIVPPCPUPZ-LEWJYISDSA-N 2 1 351.494 3.022 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000050024755 493892055 /nfs/dbraw/zinc/89/20/55/493892055.db2.gz WIFFQQMRRGTFFD-MSOLQXFVSA-N 2 1 357.523 3.132 20 0 FGADMP Cc1ccc(-c2nnc([C@H](C)[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000069029686 493908524 /nfs/dbraw/zinc/90/85/24/493908524.db2.gz WZQPIZHHYCIDLJ-KRWDZBQOSA-N 2 1 370.497 3.150 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081523194 493910468 /nfs/dbraw/zinc/91/04/68/493910468.db2.gz AZZAXEVMQKBBCL-HXUWFJFHSA-N 2 1 355.457 3.490 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081523194 493910471 /nfs/dbraw/zinc/91/04/71/493910471.db2.gz AZZAXEVMQKBBCL-HXUWFJFHSA-N 2 1 355.457 3.490 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081565748 493918021 /nfs/dbraw/zinc/91/80/21/493918021.db2.gz QJRRGYKKJRSLEZ-PXNSSMCTSA-N 2 1 363.521 3.417 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081565748 493918027 /nfs/dbraw/zinc/91/80/27/493918027.db2.gz QJRRGYKKJRSLEZ-PXNSSMCTSA-N 2 1 363.521 3.417 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082132 505689253 /nfs/dbraw/zinc/68/92/53/505689253.db2.gz QDGXUOJTEYJBSE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082132 505689255 /nfs/dbraw/zinc/68/92/55/505689255.db2.gz QDGXUOJTEYJBSE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082132 505689258 /nfs/dbraw/zinc/68/92/58/505689258.db2.gz QDGXUOJTEYJBSE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082132 505689262 /nfs/dbraw/zinc/68/92/62/505689262.db2.gz QDGXUOJTEYJBSE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636263 493936028 /nfs/dbraw/zinc/93/60/28/493936028.db2.gz XYUTXHSTCPKDMJ-DENIHFKCSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636263 493936032 /nfs/dbraw/zinc/93/60/32/493936032.db2.gz XYUTXHSTCPKDMJ-DENIHFKCSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636263 493936035 /nfs/dbraw/zinc/93/60/35/493936035.db2.gz XYUTXHSTCPKDMJ-DENIHFKCSA-N 2 1 369.553 3.234 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000060894283 493957594 /nfs/dbraw/zinc/95/75/94/493957594.db2.gz JWGFVMFVINCBFI-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP COCCC[N@@H+](CCc1ccc(OC)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000577226393 505691166 /nfs/dbraw/zinc/69/11/66/505691166.db2.gz HXXPPQUWSNPWIN-UHFFFAOYSA-N 2 1 368.521 3.422 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081939843 493970368 /nfs/dbraw/zinc/97/03/68/493970368.db2.gz DXEQAMUSTMQOMS-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081939843 493970370 /nfs/dbraw/zinc/97/03/70/493970370.db2.gz DXEQAMUSTMQOMS-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CC1CC[NH+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000061558292 493983674 /nfs/dbraw/zinc/98/36/74/493983674.db2.gz TWNQCRLGBXYKDI-UHFFFAOYSA-N 2 1 369.303 3.389 20 0 FGADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000076893926 493985006 /nfs/dbraw/zinc/98/50/06/493985006.db2.gz PJNZCAPYYRNUPP-UHFFFAOYSA-N 2 1 363.864 3.060 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000083422532 494016370 /nfs/dbraw/zinc/01/63/70/494016370.db2.gz WWLGXNQJRIJDAN-UHFFFAOYSA-N 2 1 361.917 3.030 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000083422532 494016373 /nfs/dbraw/zinc/01/63/73/494016373.db2.gz WWLGXNQJRIJDAN-UHFFFAOYSA-N 2 1 361.917 3.030 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[NH+](C)C2)C1 ZINC000052524377 494035456 /nfs/dbraw/zinc/03/54/56/494035456.db2.gz ODMQUBDADLVYNW-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000052524377 494035457 /nfs/dbraw/zinc/03/54/57/494035457.db2.gz ODMQUBDADLVYNW-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000052524377 494035460 /nfs/dbraw/zinc/03/54/60/494035460.db2.gz ODMQUBDADLVYNW-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP COc1ccccc1-c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000568446950 505695844 /nfs/dbraw/zinc/69/58/44/505695844.db2.gz VVQZICQNSQLNAL-UHFFFAOYSA-N 2 1 367.537 3.432 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000568446778 505695861 /nfs/dbraw/zinc/69/58/61/505695861.db2.gz UMLCAUKEFVFXIH-UHFFFAOYSA-N 2 1 371.378 3.274 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)CC2)CC1 ZINC000063302380 494042128 /nfs/dbraw/zinc/04/21/28/494042128.db2.gz IPIUMULKSNBHFH-LJQANCHMSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C)CC2)CC1 ZINC000063302380 494042131 /nfs/dbraw/zinc/04/21/31/494042131.db2.gz IPIUMULKSNBHFH-LJQANCHMSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C)CC2)CC1 ZINC000063302380 494042133 /nfs/dbraw/zinc/04/21/33/494042133.db2.gz IPIUMULKSNBHFH-LJQANCHMSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ncc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1-c1ccccc1 ZINC000084018237 494043996 /nfs/dbraw/zinc/04/39/96/494043996.db2.gz PMNHCRPJSQSLNW-HDICACEKSA-N 2 1 356.514 3.160 20 0 FGADMP Cc1cc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc(N2CCCC2)[nH+]1 ZINC000568459941 505698885 /nfs/dbraw/zinc/69/88/85/505698885.db2.gz PNTWNFWWOSYSHG-UHFFFAOYSA-N 2 1 373.545 3.006 20 0 FGADMP Cc1cc(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc(N2CCCC2)[nH+]1 ZINC000568459941 505698887 /nfs/dbraw/zinc/69/88/87/505698887.db2.gz PNTWNFWWOSYSHG-UHFFFAOYSA-N 2 1 373.545 3.006 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085359344 494116473 /nfs/dbraw/zinc/11/64/73/494116473.db2.gz NJAJFJBTAIKBEJ-KRWDZBQOSA-N 2 1 362.562 3.302 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000064739108 494146056 /nfs/dbraw/zinc/14/60/56/494146056.db2.gz SNGBWACRZPKZTJ-UHFFFAOYSA-N 2 1 371.569 3.477 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000086361688 494149069 /nfs/dbraw/zinc/14/90/69/494149069.db2.gz ZUTGZOZIDWDYSV-OAHLLOKOSA-N 2 1 367.497 3.168 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000072694621 494235066 /nfs/dbraw/zinc/23/50/66/494235066.db2.gz GXWZKDMKTJNTHI-UHFFFAOYSA-N 2 1 367.921 3.101 20 0 FGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697621 494236516 /nfs/dbraw/zinc/23/65/16/494236516.db2.gz WQWIAEIARINEOC-APWZRJJASA-N 2 1 361.555 3.294 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718873 494239718 /nfs/dbraw/zinc/23/97/18/494239718.db2.gz LPNUVYAASJUJML-FQEVSTJZSA-N 2 1 368.525 3.307 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718873 494239721 /nfs/dbraw/zinc/23/97/21/494239721.db2.gz LPNUVYAASJUJML-FQEVSTJZSA-N 2 1 368.525 3.307 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000054509430 494242515 /nfs/dbraw/zinc/24/25/15/494242515.db2.gz PNCKPWKXPNRVMJ-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000042929583 494252423 /nfs/dbraw/zinc/25/24/23/494252423.db2.gz VPEAPUZRBFCNFR-OALUTQOASA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1cccs1 ZINC000072800716 494252896 /nfs/dbraw/zinc/25/28/96/494252896.db2.gz POYXEELIBIHNPG-PKOBYXMFSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800716 494252900 /nfs/dbraw/zinc/25/29/00/494252900.db2.gz POYXEELIBIHNPG-PKOBYXMFSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800716 494252904 /nfs/dbraw/zinc/25/29/04/494252904.db2.gz POYXEELIBIHNPG-PKOBYXMFSA-N 2 1 371.550 3.002 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)cc1 ZINC000072949903 494289119 /nfs/dbraw/zinc/28/91/19/494289119.db2.gz KDTXMPOUOUNKDP-RBUKOAKNSA-N 2 1 374.529 3.108 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000073215599 494339713 /nfs/dbraw/zinc/33/97/13/494339713.db2.gz OAWBYIOBMRLNBC-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000073215599 494339714 /nfs/dbraw/zinc/33/97/14/494339714.db2.gz OAWBYIOBMRLNBC-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000073215599 494339716 /nfs/dbraw/zinc/33/97/16/494339716.db2.gz OAWBYIOBMRLNBC-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2sccc2C1 ZINC000044276700 494346863 /nfs/dbraw/zinc/34/68/63/494346863.db2.gz IYQCFDFMANFOTN-HNNXBMFYSA-N 2 1 372.538 3.378 20 0 FGADMP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2sccc2C1 ZINC000044276700 494346866 /nfs/dbraw/zinc/34/68/66/494346866.db2.gz IYQCFDFMANFOTN-HNNXBMFYSA-N 2 1 372.538 3.378 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000044291904 494347820 /nfs/dbraw/zinc/34/78/20/494347820.db2.gz PJWBSRVARURCNW-FQEVSTJZSA-N 2 1 352.482 3.144 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000073621140 494401289 /nfs/dbraw/zinc/40/12/89/494401289.db2.gz ATDVXVXDFSNJHE-IBGZPJMESA-N 2 1 374.573 3.400 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000073621140 494401291 /nfs/dbraw/zinc/40/12/91/494401291.db2.gz ATDVXVXDFSNJHE-IBGZPJMESA-N 2 1 374.573 3.400 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000073621140 494401298 /nfs/dbraw/zinc/40/12/98/494401298.db2.gz ATDVXVXDFSNJHE-IBGZPJMESA-N 2 1 374.573 3.400 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045186685 494404232 /nfs/dbraw/zinc/40/42/32/494404232.db2.gz FMSGXCBUGNPVOK-LEWJYISDSA-N 2 1 370.541 3.099 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000073666516 494410112 /nfs/dbraw/zinc/41/01/12/494410112.db2.gz ZYSHLCVPDLNINK-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000079192881 494417410 /nfs/dbraw/zinc/41/74/10/494417410.db2.gz ZLPPRCSZCZMMDE-IBGZPJMESA-N 2 1 372.513 3.224 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082474 494438831 /nfs/dbraw/zinc/43/88/31/494438831.db2.gz NFGYMHNZSRUJIQ-SUNKGSAMSA-N 2 1 365.827 3.451 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521915 494477039 /nfs/dbraw/zinc/47/70/39/494477039.db2.gz KCDWMWOONJMWMO-SZXPJGKVSA-N 2 1 374.447 3.055 20 0 FGADMP CC[C@H](CNC(=O)CCn1cc[nH+]c1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000074199051 494496860 /nfs/dbraw/zinc/49/68/60/494496860.db2.gz KSUHSANOGRMFEY-HXUWFJFHSA-N 2 1 368.525 3.350 20 0 FGADMP CC[C@H](CNC(=O)CCn1cc[nH+]c1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000074199051 494496863 /nfs/dbraw/zinc/49/68/63/494496863.db2.gz KSUHSANOGRMFEY-HXUWFJFHSA-N 2 1 368.525 3.350 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000074320884 494518079 /nfs/dbraw/zinc/51/80/79/494518079.db2.gz ACTJLXZHSSYRPA-HXUWFJFHSA-N 2 1 355.526 3.086 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000067381649 494527804 /nfs/dbraw/zinc/52/78/04/494527804.db2.gz HDSWZHLSTUBFAR-IBGZPJMESA-N 2 1 372.513 3.176 20 0 FGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCCC1 ZINC000074582246 494562404 /nfs/dbraw/zinc/56/24/04/494562404.db2.gz ZCBMUNVXMGGTKJ-ZWKOTPCHSA-N 2 1 359.514 3.283 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247015 505728867 /nfs/dbraw/zinc/72/88/67/505728867.db2.gz FRRGJGMCHKOYMN-FPOVZHCZSA-N 2 1 363.505 3.345 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247015 505728872 /nfs/dbraw/zinc/72/88/72/505728872.db2.gz FRRGJGMCHKOYMN-FPOVZHCZSA-N 2 1 363.505 3.345 20 0 FGADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000107692286 494586343 /nfs/dbraw/zinc/58/63/43/494586343.db2.gz IISXKCWFAUOIPJ-PMACEKPBSA-N 2 1 360.542 3.403 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000568593900 505731380 /nfs/dbraw/zinc/73/13/80/505731380.db2.gz KUCOIIOIXFHMIW-VSKRKVRLSA-N 2 1 363.505 3.318 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000568593900 505731384 /nfs/dbraw/zinc/73/13/84/505731384.db2.gz KUCOIIOIXFHMIW-VSKRKVRLSA-N 2 1 363.505 3.318 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000080146338 494613383 /nfs/dbraw/zinc/61/33/83/494613383.db2.gz HNAFFFIIYRRECZ-IBGZPJMESA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164829 494619976 /nfs/dbraw/zinc/61/99/76/494619976.db2.gz PCWKGWVPBMTWJP-PZJWPPBQSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785781 494621737 /nfs/dbraw/zinc/62/17/37/494621737.db2.gz QKZQWNJTUUNPFB-UYAOXDASSA-N 2 1 360.546 3.053 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000115794926 494624011 /nfs/dbraw/zinc/62/40/11/494624011.db2.gz FMVCGKSMSZADLI-SFHVURJKSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115794926 494624016 /nfs/dbraw/zinc/62/40/16/494624016.db2.gz FMVCGKSMSZADLI-SFHVURJKSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115794926 494624022 /nfs/dbraw/zinc/62/40/22/494624022.db2.gz FMVCGKSMSZADLI-SFHVURJKSA-N 2 1 360.546 3.010 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)NC2CCCCC2)CC1 ZINC000126224907 494678041 /nfs/dbraw/zinc/67/80/41/494678041.db2.gz NVEWCEWQKJKDNT-UHFFFAOYSA-N 2 1 361.534 3.068 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338383 494681667 /nfs/dbraw/zinc/68/16/67/494681667.db2.gz RPEHNIVFRBLMPS-UWJYYQICSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338383 494681671 /nfs/dbraw/zinc/68/16/71/494681671.db2.gz RPEHNIVFRBLMPS-UWJYYQICSA-N 2 1 351.494 3.189 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428303 494705990 /nfs/dbraw/zinc/70/59/90/494705990.db2.gz GOUBILWGEOTUFB-OAHLLOKOSA-N 2 1 352.404 3.323 20 0 FGADMP Cc1nccn1-c1ccc(CN[C@@H](C)c2cnn(-c3ccccn3)c2C)cn1 ZINC000126330769 494712361 /nfs/dbraw/zinc/71/23/61/494712361.db2.gz ZLICKVSIRNVBNY-HNNXBMFYSA-N 2 1 373.464 3.316 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCN(C)c2ccccc2)CC1 ZINC000568623844 505739442 /nfs/dbraw/zinc/73/94/42/505739442.db2.gz WJBMBSABDYGZIT-OYRHEFFESA-N 2 1 358.574 3.003 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000121482334 494776947 /nfs/dbraw/zinc/77/69/47/494776947.db2.gz XIZZFIZIYHURGX-KGLIPLIRSA-N 2 1 356.449 3.207 20 0 FGADMP COC(=O)c1ccc(OCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000075681772 494815107 /nfs/dbraw/zinc/81/51/07/494815107.db2.gz XJMAGCNUYQDOQH-UHFFFAOYSA-N 2 1 368.905 3.310 20 0 FGADMP COC(=O)c1ccc(OCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c(Cl)c1 ZINC000075681772 494815110 /nfs/dbraw/zinc/81/51/10/494815110.db2.gz XJMAGCNUYQDOQH-UHFFFAOYSA-N 2 1 368.905 3.310 20 0 FGADMP COc1cc(Br)c(C[N@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000093088782 494824941 /nfs/dbraw/zinc/82/49/41/494824941.db2.gz FDGRBXGBUKYSES-UHFFFAOYSA-N 2 1 371.319 3.240 20 0 FGADMP COc1cc(Br)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OC)c1 ZINC000093088782 494824945 /nfs/dbraw/zinc/82/49/45/494824945.db2.gz FDGRBXGBUKYSES-UHFFFAOYSA-N 2 1 371.319 3.240 20 0 FGADMP C[C@@H]1CC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@H](C)C1 ZINC000126912890 494861243 /nfs/dbraw/zinc/86/12/43/494861243.db2.gz LDKKUSPHEJUVKF-ROUUACIJSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000574321623 505746767 /nfs/dbraw/zinc/74/67/67/505746767.db2.gz KITUDITUOGTSOL-KCZVDYSFSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000574321623 505746771 /nfs/dbraw/zinc/74/67/71/505746771.db2.gz KITUDITUOGTSOL-KCZVDYSFSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000574321630 505746808 /nfs/dbraw/zinc/74/68/08/505746808.db2.gz KITUDITUOGTSOL-VWPQPMDRSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@H](C)O1 ZINC000574321630 505746812 /nfs/dbraw/zinc/74/68/12/505746812.db2.gz KITUDITUOGTSOL-VWPQPMDRSA-N 2 1 371.569 3.273 20 0 FGADMP c1cnc(Oc2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000093537718 494898731 /nfs/dbraw/zinc/89/87/31/494898731.db2.gz KQAVONBXJAGRFP-MISYRCLQSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000093537718 494898733 /nfs/dbraw/zinc/89/87/33/494898733.db2.gz KQAVONBXJAGRFP-MISYRCLQSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000093537718 494898736 /nfs/dbraw/zinc/89/87/36/494898736.db2.gz KQAVONBXJAGRFP-MISYRCLQSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000093537718 494898739 /nfs/dbraw/zinc/89/87/39/494898739.db2.gz KQAVONBXJAGRFP-MISYRCLQSA-N 2 1 350.466 3.185 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)cc2)no1 ZINC000093660165 494908383 /nfs/dbraw/zinc/90/83/83/494908383.db2.gz CJUKWVOSCDMKGG-SFHVURJKSA-N 2 1 358.486 3.263 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)cc2)no1 ZINC000093660165 494908390 /nfs/dbraw/zinc/90/83/90/494908390.db2.gz CJUKWVOSCDMKGG-SFHVURJKSA-N 2 1 358.486 3.263 20 0 FGADMP Cc1nc(COc2ccc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)cc2)no1 ZINC000093660165 494908392 /nfs/dbraw/zinc/90/83/92/494908392.db2.gz CJUKWVOSCDMKGG-SFHVURJKSA-N 2 1 358.486 3.263 20 0 FGADMP Cc1nc(COc2ccc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)cc2)no1 ZINC000093660165 494908396 /nfs/dbraw/zinc/90/83/96/494908396.db2.gz CJUKWVOSCDMKGG-SFHVURJKSA-N 2 1 358.486 3.263 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000109789263 494918054 /nfs/dbraw/zinc/91/80/54/494918054.db2.gz HMDXVGLEFAUFJX-UHFFFAOYSA-N 2 1 365.521 3.216 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)CCc1nccs1)C1CC[NH+](C)CC1 ZINC000093843959 494926849 /nfs/dbraw/zinc/92/68/49/494926849.db2.gz MKUFJPGWQYJCRY-UHFFFAOYSA-N 2 1 358.555 3.348 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000127430325 494943946 /nfs/dbraw/zinc/94/39/46/494943946.db2.gz JLFLRDVQBONTJF-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP CCOc1ncccc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132933080 494945361 /nfs/dbraw/zinc/94/53/61/494945361.db2.gz VWUMGXZTIMATBO-UHFFFAOYSA-N 2 1 368.525 3.301 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122313053 494956665 /nfs/dbraw/zinc/95/66/65/494956665.db2.gz XQAMRAKHGABRPD-MRXNPFEDSA-N 2 1 357.502 3.273 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122313053 494956667 /nfs/dbraw/zinc/95/66/67/494956667.db2.gz XQAMRAKHGABRPD-MRXNPFEDSA-N 2 1 357.502 3.273 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000118031656 494971817 /nfs/dbraw/zinc/97/18/17/494971817.db2.gz XXLBSJZBJYRRRW-QGZVFWFLSA-N 2 1 374.529 3.074 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000133120483 494972907 /nfs/dbraw/zinc/97/29/07/494972907.db2.gz JAUBFDLUDRPABA-FQEVSTJZSA-N 2 1 372.601 3.429 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000118494351 495006518 /nfs/dbraw/zinc/00/65/18/495006518.db2.gz ZJCAGVPBIKLAIP-KRWDZBQOSA-N 2 1 367.493 3.012 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000118494351 495006523 /nfs/dbraw/zinc/00/65/23/495006523.db2.gz ZJCAGVPBIKLAIP-KRWDZBQOSA-N 2 1 367.493 3.012 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090108 495037829 /nfs/dbraw/zinc/03/78/29/495037829.db2.gz GSTLMSLOZUJYOX-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122962339 495060337 /nfs/dbraw/zinc/06/03/37/495060337.db2.gz MKDGWGZNUTZVEY-SFHVURJKSA-N 2 1 374.550 3.479 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(Br)c1 ZINC000128264465 495069412 /nfs/dbraw/zinc/06/94/12/495069412.db2.gz SYQPAEFPYZLUNS-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551443 505759930 /nfs/dbraw/zinc/75/99/30/505759930.db2.gz MXNGRDIKADRQCO-WMZOPIPTSA-N 2 1 358.448 3.319 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000128443094 495098129 /nfs/dbraw/zinc/09/81/29/495098129.db2.gz DTAHULUFNHJSSE-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000128443094 495098134 /nfs/dbraw/zinc/09/81/34/495098134.db2.gz DTAHULUFNHJSSE-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000128443094 495098138 /nfs/dbraw/zinc/09/81/38/495098138.db2.gz DTAHULUFNHJSSE-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP FC(F)(F)Oc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134122781 495109157 /nfs/dbraw/zinc/10/91/57/495109157.db2.gz HWYZPOQEYVIVDB-UHFFFAOYSA-N 2 1 358.404 3.129 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000111801114 495113178 /nfs/dbraw/zinc/11/31/78/495113178.db2.gz RRGJICCCLSBMLC-IRXDYDNUSA-N 2 1 364.559 3.059 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000123600531 495158570 /nfs/dbraw/zinc/15/85/70/495158570.db2.gz CZQCLSDQSFMAQF-YESZJQIVSA-N 2 1 372.488 3.080 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000123600531 495158574 /nfs/dbraw/zinc/15/85/74/495158574.db2.gz CZQCLSDQSFMAQF-YESZJQIVSA-N 2 1 372.488 3.080 20 0 FGADMP CC(C)[C@@H]1C[NH+](CC2(C[N@@H+]3CCS[C@H](C(C)C)C3)COC2)CCS1 ZINC000119448155 495169547 /nfs/dbraw/zinc/16/95/47/495169547.db2.gz LMMWAAYALRYCEO-ROUUACIJSA-N 2 1 372.644 3.150 20 0 FGADMP CC(C)[C@@H]1C[NH+](CC2(C[N@H+]3CCS[C@H](C(C)C)C3)COC2)CCS1 ZINC000119448155 495169548 /nfs/dbraw/zinc/16/95/48/495169548.db2.gz LMMWAAYALRYCEO-ROUUACIJSA-N 2 1 372.644 3.150 20 0 FGADMP COC(=O)c1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000119511985 495180478 /nfs/dbraw/zinc/18/04/78/495180478.db2.gz MMJBSYGSBKJAQD-QGZVFWFLSA-N 2 1 358.507 3.489 20 0 FGADMP C[N@H+](Cc1cccc(I)c1)C[C@H]1CCC[NH+](C)C1 ZINC000571587455 505767111 /nfs/dbraw/zinc/76/71/11/505767111.db2.gz MPSXGGLHOCTFGO-AWEZNQCLSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1cccc(I)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000571587455 505767115 /nfs/dbraw/zinc/76/71/15/505767115.db2.gz MPSXGGLHOCTFGO-AWEZNQCLSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1cccc(I)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000571587455 505767117 /nfs/dbraw/zinc/76/71/17/505767117.db2.gz MPSXGGLHOCTFGO-AWEZNQCLSA-N 2 1 358.267 3.065 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590871 505767726 /nfs/dbraw/zinc/76/77/26/505767726.db2.gz CVIWOWHGNKHDEY-BBTUJRGHSA-N 2 1 355.526 3.085 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134906818 495220691 /nfs/dbraw/zinc/22/06/91/495220691.db2.gz NORAWANWJWOMNF-UTKZUKDTSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134906818 495220697 /nfs/dbraw/zinc/22/06/97/495220697.db2.gz NORAWANWJWOMNF-UTKZUKDTSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134906818 495220699 /nfs/dbraw/zinc/22/06/99/495220699.db2.gz NORAWANWJWOMNF-UTKZUKDTSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134906818 495220704 /nfs/dbraw/zinc/22/07/04/495220704.db2.gz NORAWANWJWOMNF-UTKZUKDTSA-N 2 1 371.525 3.363 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000568760264 505772593 /nfs/dbraw/zinc/77/25/93/505772593.db2.gz QEMXHTRSMBCABY-XLIONFOSSA-N 2 1 351.494 3.176 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000104652505 495294447 /nfs/dbraw/zinc/29/44/47/495294447.db2.gz ABYJAFLIHFRGMG-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP Cc1nccn1CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000129833772 495302431 /nfs/dbraw/zinc/30/24/31/495302431.db2.gz VVKFFDNCHBPYPE-LJQANCHMSA-N 2 1 372.488 3.139 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000129833772 495302435 /nfs/dbraw/zinc/30/24/35/495302435.db2.gz VVKFFDNCHBPYPE-LJQANCHMSA-N 2 1 372.488 3.139 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113612713 495321100 /nfs/dbraw/zinc/32/11/00/495321100.db2.gz FARQEZXSECGGBN-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[N@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000124679529 495326756 /nfs/dbraw/zinc/32/67/56/495326756.db2.gz OWRCYQARYZUUBA-UHFFFAOYSA-N 2 1 368.403 3.350 20 0 FGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000124679529 495326760 /nfs/dbraw/zinc/32/67/60/495326760.db2.gz OWRCYQARYZUUBA-UHFFFAOYSA-N 2 1 368.403 3.350 20 0 FGADMP CC[N@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000568779479 505775533 /nfs/dbraw/zinc/77/55/33/505775533.db2.gz OEOFPXWFWHWOLE-UHFFFAOYSA-N 2 1 368.403 3.332 20 0 FGADMP CC[N@@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000568779479 505775537 /nfs/dbraw/zinc/77/55/37/505775537.db2.gz OEOFPXWFWHWOLE-UHFFFAOYSA-N 2 1 368.403 3.332 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124927256 495365280 /nfs/dbraw/zinc/36/52/80/495365280.db2.gz UDRBQWHEMAQHLP-LJQANCHMSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000114455433 495376256 /nfs/dbraw/zinc/37/62/56/495376256.db2.gz AYEGMXPKHFBFOS-HNNXBMFYSA-N 2 1 351.922 3.322 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000114455433 495376258 /nfs/dbraw/zinc/37/62/58/495376258.db2.gz AYEGMXPKHFBFOS-HNNXBMFYSA-N 2 1 351.922 3.322 20 0 FGADMP CCC[N@@H+](CCc1cccc(F)c1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114481331 495381673 /nfs/dbraw/zinc/38/16/73/495381673.db2.gz WGCBJHSTEGZBNR-UHFFFAOYSA-N 2 1 363.521 3.069 20 0 FGADMP CCN1CCC([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000125250711 495413461 /nfs/dbraw/zinc/41/34/61/495413461.db2.gz GPCOFEGHHARUAG-UHFFFAOYSA-N 2 1 358.574 3.133 20 0 FGADMP CCN1CCC([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000125250711 495413464 /nfs/dbraw/zinc/41/34/64/495413464.db2.gz GPCOFEGHHARUAG-UHFFFAOYSA-N 2 1 358.574 3.133 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670547 495431352 /nfs/dbraw/zinc/43/13/52/495431352.db2.gz COHHZIMLAMQDDO-XMSQKQJNSA-N 3 1 359.558 3.227 20 0 FGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670547 495431354 /nfs/dbraw/zinc/43/13/54/495431354.db2.gz COHHZIMLAMQDDO-XMSQKQJNSA-N 2 1 359.558 3.227 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000130720626 495434952 /nfs/dbraw/zinc/43/49/52/495434952.db2.gz RGUTVCSTLYZBJI-OAQYLSRUSA-N 2 1 368.525 3.240 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000137465118 495441373 /nfs/dbraw/zinc/44/13/73/495441373.db2.gz RIJVMZWNTDOBGM-UTKZUKDTSA-N 2 1 351.494 3.141 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[NH+](C)C1 ZINC000137477993 495442918 /nfs/dbraw/zinc/44/29/18/495442918.db2.gz VDPHCKMRGUHKFP-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[N@H+](C)C1 ZINC000137477993 495442919 /nfs/dbraw/zinc/44/29/19/495442919.db2.gz VDPHCKMRGUHKFP-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CCC[N@@H+](C)C1 ZINC000137477993 495442920 /nfs/dbraw/zinc/44/29/20/495442920.db2.gz VDPHCKMRGUHKFP-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000130780926 495444186 /nfs/dbraw/zinc/44/41/86/495444186.db2.gz LBDPVQSDJSQPSV-LBPRGKRZSA-N 2 1 352.841 3.333 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1Cl ZINC000130780926 495444191 /nfs/dbraw/zinc/44/41/91/495444191.db2.gz LBDPVQSDJSQPSV-LBPRGKRZSA-N 2 1 352.841 3.333 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106388566 495450139 /nfs/dbraw/zinc/45/01/39/495450139.db2.gz HCUZSMSADXZTNA-AWEZNQCLSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000106388566 495450143 /nfs/dbraw/zinc/45/01/43/495450143.db2.gz HCUZSMSADXZTNA-AWEZNQCLSA-N 2 1 361.313 3.149 20 0 FGADMP COCCOc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000130894344 495462412 /nfs/dbraw/zinc/46/24/12/495462412.db2.gz BWTHEPQXORHGJM-GOSISDBHSA-N 2 1 350.503 3.027 20 0 FGADMP COCCOc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1OC ZINC000130894344 495462414 /nfs/dbraw/zinc/46/24/14/495462414.db2.gz BWTHEPQXORHGJM-GOSISDBHSA-N 2 1 350.503 3.027 20 0 FGADMP COCCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000130894344 495462417 /nfs/dbraw/zinc/46/24/17/495462417.db2.gz BWTHEPQXORHGJM-GOSISDBHSA-N 2 1 350.503 3.027 20 0 FGADMP COCCOc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000130894344 495462420 /nfs/dbraw/zinc/46/24/20/495462420.db2.gz BWTHEPQXORHGJM-GOSISDBHSA-N 2 1 350.503 3.027 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)C[C@@H]1c1ccccc1 ZINC000577748464 505784807 /nfs/dbraw/zinc/78/48/07/505784807.db2.gz ZATDCJVMILXAKP-PLACYPQZSA-N 2 1 355.526 3.345 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)C[C@@H]1c1ccccc1 ZINC000577748464 505784810 /nfs/dbraw/zinc/78/48/10/505784810.db2.gz ZATDCJVMILXAKP-PLACYPQZSA-N 2 1 355.526 3.345 20 0 FGADMP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910397 495484764 /nfs/dbraw/zinc/48/47/64/495484764.db2.gz ZJZVKPQTTGIBOY-LJQANCHMSA-N 2 1 371.550 3.208 20 0 FGADMP C[N@@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910397 495484769 /nfs/dbraw/zinc/48/47/69/495484769.db2.gz ZJZVKPQTTGIBOY-LJQANCHMSA-N 2 1 371.550 3.208 20 0 FGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910397 495484772 /nfs/dbraw/zinc/48/47/72/495484772.db2.gz ZJZVKPQTTGIBOY-LJQANCHMSA-N 2 1 371.550 3.208 20 0 FGADMP C[NH+](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910397 495484774 /nfs/dbraw/zinc/48/47/74/495484774.db2.gz ZJZVKPQTTGIBOY-LJQANCHMSA-N 2 1 371.550 3.208 20 0 FGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125922293 495519546 /nfs/dbraw/zinc/51/95/46/495519546.db2.gz ATXOWAFSTWXXDE-CXAGYDPISA-N 2 1 358.523 3.246 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000107371929 495526257 /nfs/dbraw/zinc/52/62/57/495526257.db2.gz XKBQGJPDURLDCA-DOTOQJQBSA-N 2 1 371.447 3.358 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263231 495561924 /nfs/dbraw/zinc/56/19/24/495561924.db2.gz WHUOPOFIDLBMQG-FUHWJXTLSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263231 495561929 /nfs/dbraw/zinc/56/19/29/495561929.db2.gz WHUOPOFIDLBMQG-FUHWJXTLSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263231 495561934 /nfs/dbraw/zinc/56/19/34/495561934.db2.gz WHUOPOFIDLBMQG-FUHWJXTLSA-N 2 1 358.448 3.273 20 0 FGADMP COC(=O)c1coc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000179397318 495575608 /nfs/dbraw/zinc/57/56/08/495575608.db2.gz MAGRFPQOOZBQNC-UHFFFAOYSA-N 2 1 357.454 3.200 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000173540234 495580779 /nfs/dbraw/zinc/58/07/79/495580779.db2.gz FUQSRWAIVHCCAV-OAQYLSRUSA-N 2 1 372.557 3.156 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](COCC)C2)C1 ZINC000176346400 495612324 /nfs/dbraw/zinc/61/23/24/495612324.db2.gz QSXCIBPJCGFDOZ-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP CCOC[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](COCC)C2)C1 ZINC000176346400 495612332 /nfs/dbraw/zinc/61/23/32/495612332.db2.gz QSXCIBPJCGFDOZ-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP CCOC[C@@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@H](COCC)C2)C1 ZINC000176346400 495612336 /nfs/dbraw/zinc/61/23/36/495612336.db2.gz QSXCIBPJCGFDOZ-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375062 495625235 /nfs/dbraw/zinc/62/52/35/495625235.db2.gz RPBWFGKBGFXEDE-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375062 495625243 /nfs/dbraw/zinc/62/52/43/495625243.db2.gz RPBWFGKBGFXEDE-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2OC(F)F)CC1 ZINC000154481607 495630652 /nfs/dbraw/zinc/63/06/52/495630652.db2.gz ZFZWFTPRCDJPIW-MRXNPFEDSA-N 2 1 355.473 3.356 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000159212079 495685095 /nfs/dbraw/zinc/68/50/95/495685095.db2.gz UWNJQLSJBLGOQT-FQEVSTJZSA-N 2 1 360.477 3.166 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C ZINC000159212079 495685099 /nfs/dbraw/zinc/68/50/99/495685099.db2.gz UWNJQLSJBLGOQT-FQEVSTJZSA-N 2 1 360.477 3.166 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccc(F)cc1 ZINC000185706542 495690703 /nfs/dbraw/zinc/69/07/03/495690703.db2.gz LDDNRUFSYNUHMY-BQFCYCMXSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccc(F)cc1 ZINC000185706542 495690710 /nfs/dbraw/zinc/69/07/10/495690710.db2.gz LDDNRUFSYNUHMY-BQFCYCMXSA-N 2 1 361.505 3.073 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719631 495695603 /nfs/dbraw/zinc/69/56/03/495695603.db2.gz CNXCTTLTEWITGR-QKNQBKEWSA-N 2 1 360.542 3.286 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735861 495703814 /nfs/dbraw/zinc/70/38/14/495703814.db2.gz NTBYTHCDOQVNOM-SJORKVTESA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735861 495703818 /nfs/dbraw/zinc/70/38/18/495703818.db2.gz NTBYTHCDOQVNOM-SJORKVTESA-N 2 1 359.514 3.266 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000173827831 495709867 /nfs/dbraw/zinc/70/98/67/495709867.db2.gz KCJBFWJDCRQLKO-NRSPTQNISA-N 2 1 374.573 3.064 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751416 495709889 /nfs/dbraw/zinc/70/98/89/495709889.db2.gz PWGWUPIOVBYTFS-LNLFQRSKSA-N 2 1 371.525 3.150 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756828 495714032 /nfs/dbraw/zinc/71/40/32/495714032.db2.gz ACTTWQCHSHJQKG-PKOBYXMFSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756828 495714038 /nfs/dbraw/zinc/71/40/38/495714038.db2.gz ACTTWQCHSHJQKG-PKOBYXMFSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817814 495714709 /nfs/dbraw/zinc/71/47/09/495714709.db2.gz BTIRCVOJKWGJPO-GOEBONIOSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817814 495714715 /nfs/dbraw/zinc/71/47/15/495714715.db2.gz BTIRCVOJKWGJPO-GOEBONIOSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817814 495714717 /nfs/dbraw/zinc/71/47/17/495714717.db2.gz BTIRCVOJKWGJPO-GOEBONIOSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817814 495714722 /nfs/dbraw/zinc/71/47/22/495714722.db2.gz BTIRCVOJKWGJPO-GOEBONIOSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817850 495714971 /nfs/dbraw/zinc/71/49/71/495714971.db2.gz BTIRCVOJKWGJPO-HOCLYGCPSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817850 495714974 /nfs/dbraw/zinc/71/49/74/495714974.db2.gz BTIRCVOJKWGJPO-HOCLYGCPSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817850 495714978 /nfs/dbraw/zinc/71/49/78/495714978.db2.gz BTIRCVOJKWGJPO-HOCLYGCPSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817850 495714982 /nfs/dbraw/zinc/71/49/82/495714982.db2.gz BTIRCVOJKWGJPO-HOCLYGCPSA-N 2 1 352.906 3.458 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897355 495737432 /nfs/dbraw/zinc/73/74/32/495737432.db2.gz UEDRPJOCORKLPS-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897355 495737439 /nfs/dbraw/zinc/73/74/39/495737439.db2.gz UEDRPJOCORKLPS-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897355 495737446 /nfs/dbraw/zinc/73/74/46/495737446.db2.gz UEDRPJOCORKLPS-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897355 495737452 /nfs/dbraw/zinc/73/74/52/495737452.db2.gz UEDRPJOCORKLPS-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182918137 495756659 /nfs/dbraw/zinc/75/66/59/495756659.db2.gz BGRDTBAYVPUNNM-OTWHNJEPSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182918137 495756665 /nfs/dbraw/zinc/75/66/65/495756665.db2.gz BGRDTBAYVPUNNM-OTWHNJEPSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182918137 495756668 /nfs/dbraw/zinc/75/66/68/495756668.db2.gz BGRDTBAYVPUNNM-OTWHNJEPSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948912 495759604 /nfs/dbraw/zinc/75/96/04/495759604.db2.gz LSMNWIIAEULAFY-KRWDZBQOSA-N 2 1 370.497 3.374 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173959429 495765097 /nfs/dbraw/zinc/76/50/97/495765097.db2.gz QNVALASQSZRWNB-LJQANCHMSA-N 2 1 373.541 3.207 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000574565641 505803601 /nfs/dbraw/zinc/80/36/01/505803601.db2.gz ZGTZFNTWSQSKRW-APWZRJJASA-N 2 1 353.466 3.010 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000174316193 495906958 /nfs/dbraw/zinc/90/69/58/495906958.db2.gz OCIUQOPRYIFGRP-WOJBJXKFSA-N 3 1 359.558 3.130 20 0 FGADMP C[C@H](CCC1CC1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000186260767 495918513 /nfs/dbraw/zinc/91/85/13/495918513.db2.gz BTKWTTGFBKXHQG-QGZVFWFLSA-N 2 1 359.514 3.016 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571781336 505813921 /nfs/dbraw/zinc/81/39/21/505813921.db2.gz MPTFFTSJELRKMS-XLBJILASSA-N 2 1 357.542 3.322 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000571781336 505813923 /nfs/dbraw/zinc/81/39/23/505813923.db2.gz MPTFFTSJELRKMS-XLBJILASSA-N 2 1 357.542 3.322 20 0 FGADMP C[NH+]1CCC([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000177291368 496007936 /nfs/dbraw/zinc/00/79/36/496007936.db2.gz XWXJFPYHAUKMKB-LJQANCHMSA-N 2 1 365.949 3.176 20 0 FGADMP C[C@@H](CCN[C@@H](C(=O)N(C)C)c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000177465474 496073202 /nfs/dbraw/zinc/07/32/02/496073202.db2.gz GNCIODIWUREYHL-GHTZIAJQSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000177507543 496091139 /nfs/dbraw/zinc/09/11/39/496091139.db2.gz SQUPBNDXJDYLNM-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000174828869 496123294 /nfs/dbraw/zinc/12/32/94/496123294.db2.gz YQFVYZKSVCYSMR-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@@H+]1C ZINC000156063284 496147904 /nfs/dbraw/zinc/14/79/04/496147904.db2.gz QGOOKKIAFTXBNH-XJKSGUPXSA-N 2 1 356.436 3.142 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@H+]1C ZINC000156063284 496147908 /nfs/dbraw/zinc/14/79/08/496147908.db2.gz QGOOKKIAFTXBNH-XJKSGUPXSA-N 2 1 356.436 3.142 20 0 FGADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000174949401 496178855 /nfs/dbraw/zinc/17/88/55/496178855.db2.gz VQERHWQVQFBNBW-IFMALSPDSA-N 2 1 365.521 3.270 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000174949401 496178858 /nfs/dbraw/zinc/17/88/58/496178858.db2.gz VQERHWQVQFBNBW-IFMALSPDSA-N 2 1 365.521 3.270 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Oc3ccccc3)o2)CC1 ZINC000180878348 496181962 /nfs/dbraw/zinc/18/19/62/496181962.db2.gz JHGLVKWGZLPMEA-UHFFFAOYSA-N 2 1 357.498 3.435 20 0 FGADMP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177751472 496182714 /nfs/dbraw/zinc/18/27/14/496182714.db2.gz SJXLYBDFYUEXAL-BBWFWOEESA-N 2 1 356.514 3.189 20 0 FGADMP C[C@H](CC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000156223941 496192085 /nfs/dbraw/zinc/19/20/85/496192085.db2.gz HTLQUSXUILEQOS-QZTJIDSGSA-N 2 1 364.497 3.224 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175010624 496205435 /nfs/dbraw/zinc/20/54/35/496205435.db2.gz UNPLYNKNDKULQO-MRXNPFEDSA-N 2 1 357.498 3.489 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000181028844 496246957 /nfs/dbraw/zinc/24/69/57/496246957.db2.gz FZHHIILRILZHSQ-QGZVFWFLSA-N 2 1 354.498 3.390 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000156516645 496266506 /nfs/dbraw/zinc/26/65/06/496266506.db2.gz VKDABNFMWMWQCS-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175173368 496277486 /nfs/dbraw/zinc/27/74/86/496277486.db2.gz YGHAIYIKCIRNQH-GOSISDBHSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccsc1 ZINC000178007198 496284316 /nfs/dbraw/zinc/28/43/16/496284316.db2.gz YGSUJCILAPENII-QAPCUYQASA-N 2 1 357.523 3.296 20 0 FGADMP COC1([C@@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881656 505837070 /nfs/dbraw/zinc/83/70/70/505837070.db2.gz WUEHYMYUZKFPOC-QUCCMNQESA-N 2 1 358.526 3.357 20 0 FGADMP COC1([C@@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881656 505837074 /nfs/dbraw/zinc/83/70/74/505837074.db2.gz WUEHYMYUZKFPOC-QUCCMNQESA-N 2 1 358.526 3.357 20 0 FGADMP CCn1nc(C)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000162298974 496331347 /nfs/dbraw/zinc/33/13/47/496331347.db2.gz PQPHVXKUUMLHQP-CQSZACIVSA-N 2 1 356.518 3.246 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000157094862 496404311 /nfs/dbraw/zinc/40/43/11/496404311.db2.gz AEOPNMVSORCVLG-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357117 496407640 /nfs/dbraw/zinc/40/76/40/496407640.db2.gz SYSKEFJKEZYGEK-LPHOPBHVSA-N 2 1 355.526 3.338 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000184506725 496415757 /nfs/dbraw/zinc/41/57/57/496415757.db2.gz FSEYWOINUQMXDG-JKSUJKDBSA-N 2 1 368.543 3.014 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869562 496425602 /nfs/dbraw/zinc/42/56/02/496425602.db2.gz BDAAQIQEBIMBNE-JBYIUTFZSA-N 2 1 364.537 3.463 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869562 496425607 /nfs/dbraw/zinc/42/56/07/496425607.db2.gz BDAAQIQEBIMBNE-JBYIUTFZSA-N 2 1 364.537 3.463 20 0 FGADMP CC(C)[C@@H](C[NH2+]C1CCN(C(=O)c2ccco2)CC1)[NH+]1CCC(C)CC1 ZINC000153428159 496452301 /nfs/dbraw/zinc/45/23/01/496452301.db2.gz RBAZSWZEWFSKEQ-LJQANCHMSA-N 2 1 361.530 3.230 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187481072 496460075 /nfs/dbraw/zinc/46/00/75/496460075.db2.gz ITRYATCGAQXHOH-NRFANRHFSA-N 2 1 374.573 3.315 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614053 496465255 /nfs/dbraw/zinc/46/52/55/496465255.db2.gz UUBHIPNKUXHOCZ-SFHVURJKSA-N 2 1 364.578 3.205 20 0 FGADMP COc1ccc([C@H](C)[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000157456687 496480435 /nfs/dbraw/zinc/48/04/35/496480435.db2.gz ZOGSASRCHWOOPF-UWJYYQICSA-N 2 1 369.509 3.107 20 0 FGADMP COc1ccc([C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000157456687 496480443 /nfs/dbraw/zinc/48/04/43/496480443.db2.gz ZOGSASRCHWOOPF-UWJYYQICSA-N 2 1 369.509 3.107 20 0 FGADMP CC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000163292831 496494246 /nfs/dbraw/zinc/49/42/46/496494246.db2.gz NQBOJLCZAOWJMW-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175673276 496494733 /nfs/dbraw/zinc/49/47/33/496494733.db2.gz CTFBRQQQSLSHMV-KRWDZBQOSA-N 2 1 364.578 3.203 20 0 FGADMP COCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000163426950 496513886 /nfs/dbraw/zinc/51/38/86/496513886.db2.gz MVJCHWFMZUBXEL-ZIAGYGMSSA-N 2 1 356.894 3.119 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175753365 496529146 /nfs/dbraw/zinc/52/91/46/496529146.db2.gz GEDGMDWCJUFRQP-SFHVURJKSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000175773255 496539516 /nfs/dbraw/zinc/53/95/16/496539516.db2.gz DFRFPSUXVJFZLJ-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000157732240 496540170 /nfs/dbraw/zinc/54/01/70/496540170.db2.gz STWNRKNNTKHQDT-HXUWFJFHSA-N 2 1 358.530 3.055 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000157766094 496549266 /nfs/dbraw/zinc/54/92/66/496549266.db2.gz DXLDIWINAHGDRI-UTKZUKDTSA-N 2 1 366.509 3.390 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000569095513 505851324 /nfs/dbraw/zinc/85/13/24/505851324.db2.gz RNMQRLNQESPGCA-WIYYLYMNSA-N 2 1 354.494 3.242 20 0 FGADMP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953272 505853892 /nfs/dbraw/zinc/85/38/92/505853892.db2.gz OILQMCWWBMJPIC-HKUYNNGSSA-N 2 1 365.587 3.457 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000164655971 496625563 /nfs/dbraw/zinc/62/55/63/496625563.db2.gz VHULAYBJPAVBJA-CQSZACIVSA-N 2 1 356.449 3.351 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574786828 505855728 /nfs/dbraw/zinc/85/57/28/505855728.db2.gz BCMHQSJEFGCLSG-IIBYNOLFSA-N 2 1 367.497 3.027 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153931222 496626952 /nfs/dbraw/zinc/62/69/52/496626952.db2.gz RTLXWWHRCSXNDI-WERVVEIQSA-N 2 1 359.558 3.205 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000164727727 496629866 /nfs/dbraw/zinc/62/98/66/496629866.db2.gz UCZKOIAVMFNMAG-NUEKZKHPSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000164727727 496629868 /nfs/dbraw/zinc/62/98/68/496629868.db2.gz UCZKOIAVMFNMAG-NUEKZKHPSA-N 2 1 352.320 3.100 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H](C)C2)CC1 ZINC000187987891 496641477 /nfs/dbraw/zinc/64/14/77/496641477.db2.gz AYZYWDBECNGYIG-GOSISDBHSA-N 2 1 357.542 3.198 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H](C)C2)CC1 ZINC000187987861 496641696 /nfs/dbraw/zinc/64/16/96/496641696.db2.gz AYZYWDBECNGYIG-SFHVURJKSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158210322 496650681 /nfs/dbraw/zinc/65/06/81/496650681.db2.gz BYNKIZRFNWZJBM-CVEARBPZSA-N 2 1 351.922 3.008 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCn2ccnc2C1 ZINC000578084516 505857783 /nfs/dbraw/zinc/85/77/83/505857783.db2.gz QZPQIMIZGWIREX-CRAIPNDOSA-N 2 1 372.900 3.052 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000179062888 496663213 /nfs/dbraw/zinc/66/32/13/496663213.db2.gz OUBFBMYTNFBHGB-UHFFFAOYSA-N 2 1 369.513 3.019 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803133 505858791 /nfs/dbraw/zinc/85/87/91/505858791.db2.gz IIFMIVIKVKPCGX-DHJUGAMNSA-N 2 1 363.505 3.372 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803133 505858794 /nfs/dbraw/zinc/85/87/94/505858794.db2.gz IIFMIVIKVKPCGX-DHJUGAMNSA-N 2 1 363.505 3.372 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000173422405 496686509 /nfs/dbraw/zinc/68/65/09/496686509.db2.gz DHZJORUGURJMMD-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(F)c(Br)c1 ZINC000185168931 496689771 /nfs/dbraw/zinc/68/97/71/496689771.db2.gz BUARGSPAAZCHBC-UHFFFAOYSA-N 2 1 352.251 3.382 20 0 FGADMP CC1(C)CC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000176124266 496693872 /nfs/dbraw/zinc/69/38/72/496693872.db2.gz LNNNCNYHNUPPLM-SFHVURJKSA-N 2 1 361.505 3.216 20 0 FGADMP CC1(C)CC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000176124266 496693878 /nfs/dbraw/zinc/69/38/78/496693878.db2.gz LNNNCNYHNUPPLM-SFHVURJKSA-N 2 1 361.505 3.216 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882056 505860256 /nfs/dbraw/zinc/86/02/56/505860256.db2.gz JAIOHGXTFFMBHQ-NHCUHLMSSA-N 2 1 368.525 3.355 20 0 FGADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000167546706 496703196 /nfs/dbraw/zinc/70/31/96/496703196.db2.gz BQUKQVOTBIUDBL-OPYAIIAOSA-N 2 1 357.542 3.182 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000185289569 496724792 /nfs/dbraw/zinc/72/47/92/496724792.db2.gz ZELPBXSHRCFGNV-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000182305453 496728900 /nfs/dbraw/zinc/72/89/00/496728900.db2.gz ZZYNDSFGLMSRKI-RTWAWAEBSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000182305453 496728902 /nfs/dbraw/zinc/72/89/02/496728902.db2.gz ZZYNDSFGLMSRKI-RTWAWAEBSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182305453 496728904 /nfs/dbraw/zinc/72/89/04/496728904.db2.gz ZZYNDSFGLMSRKI-RTWAWAEBSA-N 2 1 372.557 3.153 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246959533 496736135 /nfs/dbraw/zinc/73/61/35/496736135.db2.gz HTDXBVAICWYVMR-KBPBESRZSA-N 2 1 353.894 3.058 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967437 496738328 /nfs/dbraw/zinc/73/83/28/496738328.db2.gz IYWOJRSXHVGZOV-WBVHZDCISA-N 2 1 351.922 3.008 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246975950 496740433 /nfs/dbraw/zinc/74/04/33/496740433.db2.gz VQLCFCBNPFTUAB-HBGVWJBISA-N 2 1 371.525 3.361 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1CC ZINC000247000556 496748409 /nfs/dbraw/zinc/74/84/09/496748409.db2.gz QCSUTTCWOYGYFG-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000247000556 496748410 /nfs/dbraw/zinc/74/84/10/496748410.db2.gz QCSUTTCWOYGYFG-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000247000556 496748411 /nfs/dbraw/zinc/74/84/11/496748411.db2.gz QCSUTTCWOYGYFG-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000273254292 496754626 /nfs/dbraw/zinc/75/46/26/496754626.db2.gz WQPYKRMOAXUPLL-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000247051539 496762808 /nfs/dbraw/zinc/76/28/08/496762808.db2.gz OXAHTTPRAWSVII-IXDOHACOSA-N 2 1 350.503 3.244 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766328 /nfs/dbraw/zinc/76/63/28/496766328.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766331 /nfs/dbraw/zinc/76/63/31/496766331.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766334 /nfs/dbraw/zinc/76/63/34/496766334.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766336 /nfs/dbraw/zinc/76/63/36/496766336.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059907 496766339 /nfs/dbraw/zinc/76/63/39/496766339.db2.gz NSUJBXLGGBIWBB-XAPVIXHLSA-N 2 1 358.574 3.250 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761646 496777301 /nfs/dbraw/zinc/77/73/01/496777301.db2.gz OEQFXZBODTVUJE-RBDMOPTHSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761646 496777303 /nfs/dbraw/zinc/77/73/03/496777303.db2.gz OEQFXZBODTVUJE-RBDMOPTHSA-N 2 1 354.494 3.371 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000247115507 496783816 /nfs/dbraw/zinc/78/38/16/496783816.db2.gz UCZKOIAVMFNMAG-BMFZPTHFSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000247115507 496783823 /nfs/dbraw/zinc/78/38/23/496783823.db2.gz UCZKOIAVMFNMAG-BMFZPTHFSA-N 2 1 352.320 3.100 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268785892 496785505 /nfs/dbraw/zinc/78/55/05/496785505.db2.gz CQOJXYHRGUDSRT-UTKZUKDTSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268785892 496785511 /nfs/dbraw/zinc/78/55/11/496785511.db2.gz CQOJXYHRGUDSRT-UTKZUKDTSA-N 2 1 351.494 3.189 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528177 496799278 /nfs/dbraw/zinc/79/92/78/496799278.db2.gz QSRWPCXIFNGTRU-QFIPXVFZSA-N 2 1 358.574 3.003 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000574850101 505867959 /nfs/dbraw/zinc/86/79/59/505867959.db2.gz HBDAZBRCWQTNTA-RTWAWAEBSA-N 2 1 357.542 3.087 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Cc2cn3ccccc3n2)[C@H]1c1cccs1 ZINC000247265494 496819603 /nfs/dbraw/zinc/81/96/03/496819603.db2.gz FGSMFQNBJYDHOF-QRWLVFNGSA-N 2 1 368.506 3.138 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268962066 496836367 /nfs/dbraw/zinc/83/63/67/496836367.db2.gz XOKKZMSTAPIUNA-MTNREXPMSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1C[C@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268976391 496840200 /nfs/dbraw/zinc/84/02/00/496840200.db2.gz BSUNOSSQXKVJCB-UNWVZKJWSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000273803269 496913304 /nfs/dbraw/zinc/91/33/04/496913304.db2.gz VXIFXBVRGDOJMZ-GOSISDBHSA-N 2 1 365.537 3.020 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1Cc1nc3c4ccccc4oc3c(=O)[nH]1)CC[NH2+]CC2 ZINC000572028467 505873269 /nfs/dbraw/zinc/87/32/69/505873269.db2.gz WCTVEGQANOZQNX-ZDUSSCGKSA-N 2 1 352.438 3.046 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3c4ccccc4oc3c(=O)[nH]1)CC[NH2+]CC2 ZINC000572028467 505873270 /nfs/dbraw/zinc/87/32/70/505873270.db2.gz WCTVEGQANOZQNX-ZDUSSCGKSA-N 2 1 352.438 3.046 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccccc1 ZINC000247964220 496933205 /nfs/dbraw/zinc/93/32/05/496933205.db2.gz DKMMZSRHXKSLRP-VQTJNVASSA-N 2 1 358.530 3.043 20 0 FGADMP CC[N@H+]1CC[C@H](NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000248121910 496956549 /nfs/dbraw/zinc/95/65/49/496956549.db2.gz NMGCXNJJQZBSOI-SBHAEUEKSA-N 2 1 359.558 3.206 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccsc1 ZINC000248199692 496971782 /nfs/dbraw/zinc/97/17/82/496971782.db2.gz YGSUJCILAPENII-CRAIPNDOSA-N 2 1 357.523 3.296 20 0 FGADMP O=C(C[NH+]1CCC(n2ccnc2)CC1)N(Cc1ccco1)c1ccccc1 ZINC000264746274 496976451 /nfs/dbraw/zinc/97/64/51/496976451.db2.gz VCYJYBIEAWAMAP-UHFFFAOYSA-N 2 1 364.449 3.346 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000273975989 496978855 /nfs/dbraw/zinc/97/88/55/496978855.db2.gz SVBNRBFZVLQOMS-INIZCTEOSA-N 2 1 353.466 3.118 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248402565 496996737 /nfs/dbraw/zinc/99/67/37/496996737.db2.gz NIOQFGQOFDNZPC-XUVXKRRUSA-N 2 1 357.542 3.039 20 0 FGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248409237 497000695 /nfs/dbraw/zinc/00/06/95/497000695.db2.gz FVVMZCTVRZRYIV-HZUHNNHMSA-N 2 1 366.553 3.468 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435583 497010356 /nfs/dbraw/zinc/01/03/56/497010356.db2.gz FQTSRNKBWJZBKU-OXJNMPFZSA-N 2 1 370.493 3.121 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000248433636 497010417 /nfs/dbraw/zinc/01/04/17/497010417.db2.gz DIUJRIKQWGBJKM-CTNGQTDRSA-N 2 1 370.468 3.396 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248546712 497035430 /nfs/dbraw/zinc/03/54/30/497035430.db2.gz DXRHALSWTMDFSY-IKGGRYGDSA-N 2 1 361.534 3.034 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546712 497035432 /nfs/dbraw/zinc/03/54/32/497035432.db2.gz DXRHALSWTMDFSY-IKGGRYGDSA-N 2 1 361.534 3.034 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000274232899 497047365 /nfs/dbraw/zinc/04/73/65/497047365.db2.gz VIKMXVVBSFSYSE-GCJKJVERSA-N 2 1 374.488 3.182 20 0 FGADMP c1cn(C2CCCC2)nc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569228359 505884047 /nfs/dbraw/zinc/88/40/47/505884047.db2.gz RNECPPHFVCFXKK-FPOVZHCZSA-N 2 1 352.482 3.344 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@@H](C)N3CCOCC3)cc2)CC1 ZINC000265428723 497118252 /nfs/dbraw/zinc/11/82/52/497118252.db2.gz ZUYTXZVWYIFJBX-GOSISDBHSA-N 2 1 374.529 3.028 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000265428723 497118259 /nfs/dbraw/zinc/11/82/59/497118259.db2.gz ZUYTXZVWYIFJBX-GOSISDBHSA-N 2 1 374.529 3.028 20 0 FGADMP CC1(C)CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000236635520 497124311 /nfs/dbraw/zinc/12/43/11/497124311.db2.gz XXVNBXBNJANOKF-FQEVSTJZSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]1C[C@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278471059 497126478 /nfs/dbraw/zinc/12/64/78/497126478.db2.gz JURMOCJZIAWDDK-KCZVDYSFSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@@H]1C[C@H](NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278471059 497126484 /nfs/dbraw/zinc/12/64/84/497126484.db2.gz JURMOCJZIAWDDK-KCZVDYSFSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@@H]1C[C@H](NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278471059 497126489 /nfs/dbraw/zinc/12/64/89/497126489.db2.gz JURMOCJZIAWDDK-KCZVDYSFSA-N 2 1 359.558 3.130 20 0 FGADMP CC1(C)CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000236743249 497140485 /nfs/dbraw/zinc/14/04/85/497140485.db2.gz SWPKRSLXQUZXPF-LJQANCHMSA-N 2 1 357.542 3.442 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000236834687 497153447 /nfs/dbraw/zinc/15/34/47/497153447.db2.gz WSKXTVIYCDZPCN-RCCFBDPRSA-N 2 1 353.457 3.122 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000236834687 497153454 /nfs/dbraw/zinc/15/34/54/497153454.db2.gz WSKXTVIYCDZPCN-RCCFBDPRSA-N 2 1 353.457 3.122 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911324 497197673 /nfs/dbraw/zinc/19/76/73/497197673.db2.gz NFQXQIJJGTYZQD-FYZZASKESA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000192746336 497202557 /nfs/dbraw/zinc/20/25/57/497202557.db2.gz DTQRJRABYPYYNW-WIYYLYMNSA-N 2 1 363.521 3.004 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000192746336 497202564 /nfs/dbraw/zinc/20/25/64/497202564.db2.gz DTQRJRABYPYYNW-WIYYLYMNSA-N 2 1 363.521 3.004 20 0 FGADMP COc1ccc([C@H]2[C@@H](CNC(=O)CCCCCC[NH3+])CCC[N@H+]2C)cc1 ZINC000237278892 497214369 /nfs/dbraw/zinc/21/43/69/497214369.db2.gz OEQJIHKOMZSZLC-NQIIRXRSSA-N 2 1 361.530 3.104 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000237344402 497222904 /nfs/dbraw/zinc/22/29/04/497222904.db2.gz BBCFNZPSPAAFCZ-QGZVFWFLSA-N 2 1 351.494 3.450 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000249686887 497232081 /nfs/dbraw/zinc/23/20/81/497232081.db2.gz JLFLRDVQBONTJF-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCC(F)(F)F ZINC000249773186 497246667 /nfs/dbraw/zinc/24/66/67/497246667.db2.gz USPFKVJOZNSJTK-HUUCEWRRSA-N 2 1 371.447 3.218 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000237529710 497251165 /nfs/dbraw/zinc/25/11/65/497251165.db2.gz OHKAUDZTXLFGCK-HZEGPAAWSA-N 2 1 355.526 3.030 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)cc1F ZINC000249907619 497256794 /nfs/dbraw/zinc/25/67/94/497256794.db2.gz VFITWXCWIHQLGN-KFWWJZLASA-N 2 1 358.461 3.197 20 0 FGADMP CC[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000192959825 497260823 /nfs/dbraw/zinc/26/08/23/497260823.db2.gz LZXJBCKFYMRYPJ-FBVQUNGASA-N 2 1 367.331 3.262 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250292259 497264876 /nfs/dbraw/zinc/26/48/76/497264876.db2.gz UYABDRQOUVHPIA-LEWJYISDSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250292259 497264880 /nfs/dbraw/zinc/26/48/80/497264880.db2.gz UYABDRQOUVHPIA-LEWJYISDSA-N 2 1 360.542 3.179 20 0 FGADMP CC(C)(O)C[NH+](Cc1ccccc1C[N@H+](CC(C)(C)O)C1CC1)C1CC1 ZINC000189901833 497286542 /nfs/dbraw/zinc/28/65/42/497286542.db2.gz CYARHFAZXSPZBF-UHFFFAOYSA-N 2 1 360.542 3.157 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000278994619 497294705 /nfs/dbraw/zinc/29/47/05/497294705.db2.gz FZJAKDQZRCMDAZ-NRFANRHFSA-N 2 1 367.493 3.155 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000278994619 497294710 /nfs/dbraw/zinc/29/47/10/497294710.db2.gz FZJAKDQZRCMDAZ-NRFANRHFSA-N 2 1 367.493 3.155 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278994619 497294716 /nfs/dbraw/zinc/29/47/16/497294716.db2.gz FZJAKDQZRCMDAZ-NRFANRHFSA-N 2 1 367.493 3.155 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278994619 497294719 /nfs/dbraw/zinc/29/47/19/497294719.db2.gz FZJAKDQZRCMDAZ-NRFANRHFSA-N 2 1 367.493 3.155 20 0 FGADMP C[C@@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933488 497298110 /nfs/dbraw/zinc/29/81/10/497298110.db2.gz MRXJVAJNMIQLLX-OLZOCXBDSA-N 2 1 358.395 3.443 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC2(C1)CCOCC2)C1CC[NH+](C)CC1 ZINC000271242169 497301087 /nfs/dbraw/zinc/30/10/87/497301087.db2.gz ZCCVGUOMIOBKAD-UHFFFAOYSA-N 2 1 357.542 3.220 20 0 FGADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccccc1C[NH+]1CCSCC1 ZINC000237894683 497309062 /nfs/dbraw/zinc/30/90/62/497309062.db2.gz OATOTLKZXMBTEQ-ZNXRZULTSA-N 2 1 359.539 3.095 20 0 FGADMP CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052228 497317272 /nfs/dbraw/zinc/31/72/72/497317272.db2.gz KFWMXPRQDDQTGG-OXQOHEQNSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052228 497317273 /nfs/dbraw/zinc/31/72/73/497317273.db2.gz KFWMXPRQDDQTGG-OXQOHEQNSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052228 497317275 /nfs/dbraw/zinc/31/72/75/497317275.db2.gz KFWMXPRQDDQTGG-OXQOHEQNSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000279052228 497317276 /nfs/dbraw/zinc/31/72/76/497317276.db2.gz KFWMXPRQDDQTGG-OXQOHEQNSA-N 2 1 352.482 3.040 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423330 497320693 /nfs/dbraw/zinc/32/06/93/497320693.db2.gz DRZUUWFXSGDAFR-AGOPTVSRSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423330 497320700 /nfs/dbraw/zinc/32/07/00/497320700.db2.gz DRZUUWFXSGDAFR-AGOPTVSRSA-N 2 1 368.525 3.283 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275634672 497389404 /nfs/dbraw/zinc/38/94/04/497389404.db2.gz SOFBXTPQUQGEQK-HZEGPAAWSA-N 2 1 368.525 3.376 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275634672 497389409 /nfs/dbraw/zinc/38/94/09/497389409.db2.gz SOFBXTPQUQGEQK-HZEGPAAWSA-N 2 1 368.525 3.376 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427463 497399160 /nfs/dbraw/zinc/39/91/60/497399160.db2.gz MATSMJFRNRXIBD-GHTZIAJQSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427463 497399175 /nfs/dbraw/zinc/39/91/75/497399175.db2.gz MATSMJFRNRXIBD-GHTZIAJQSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@@H](C)C1 ZINC000245427463 497399179 /nfs/dbraw/zinc/39/91/79/497399179.db2.gz MATSMJFRNRXIBD-GHTZIAJQSA-N 2 1 357.542 3.475 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccn1 ZINC000575007559 505904374 /nfs/dbraw/zinc/90/43/74/505904374.db2.gz FAACFFQGSJHXMG-WIYYLYMNSA-N 2 1 368.525 3.120 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261626341 497422588 /nfs/dbraw/zinc/42/25/88/497422588.db2.gz GSPIFMSELBLGGN-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261626341 497422592 /nfs/dbraw/zinc/42/25/92/497422592.db2.gz GSPIFMSELBLGGN-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000245595742 497469105 /nfs/dbraw/zinc/46/91/05/497469105.db2.gz BTWJFCHXTIWBPA-IXDOHACOSA-N 2 1 364.559 3.009 20 0 FGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1)C1CCCC1 ZINC000575038306 505908974 /nfs/dbraw/zinc/90/89/74/505908974.db2.gz PIXGSRLKGUKCKE-PCCBWWKXSA-N 2 1 371.525 3.062 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C)CC2)n[nH]1 ZINC000275967553 497471993 /nfs/dbraw/zinc/47/19/93/497471993.db2.gz WOOITTQRPOVMGW-UWJYYQICSA-N 2 1 367.541 3.187 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C)CC2)n[nH]1 ZINC000275967553 497471996 /nfs/dbraw/zinc/47/19/96/497471996.db2.gz WOOITTQRPOVMGW-UWJYYQICSA-N 2 1 367.541 3.187 20 0 FGADMP CCc1ccc([C@@H]2CNCCN2C(=O)Cn2c(C)nc3ccccc32)cc1 ZINC000261908943 497473558 /nfs/dbraw/zinc/47/35/58/497473558.db2.gz HHFRSLIXTYSHDL-NRFANRHFSA-N 2 1 362.477 3.080 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193775762 497477603 /nfs/dbraw/zinc/47/76/03/497477603.db2.gz AZPAOPZMVWVYHV-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000267071924 497480589 /nfs/dbraw/zinc/48/05/89/497480589.db2.gz ZBYMZCJJABMISP-LJQANCHMSA-N 2 1 370.472 3.310 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245657746 497490678 /nfs/dbraw/zinc/49/06/78/497490678.db2.gz CUDZEBFMOYYPBP-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000245672446 497497164 /nfs/dbraw/zinc/49/71/64/497497164.db2.gz FNDBJKQQYXMQRR-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245672446 497497169 /nfs/dbraw/zinc/49/71/69/497497169.db2.gz FNDBJKQQYXMQRR-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245672446 497497172 /nfs/dbraw/zinc/49/71/72/497497172.db2.gz FNDBJKQQYXMQRR-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000262082501 497506520 /nfs/dbraw/zinc/50/65/20/497506520.db2.gz QQHGPBGCEZMYMP-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000262082501 497506522 /nfs/dbraw/zinc/50/65/22/497506522.db2.gz QQHGPBGCEZMYMP-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000262094742 497506847 /nfs/dbraw/zinc/50/68/47/497506847.db2.gz SEZBPYLWVQKBOF-QGZVFWFLSA-N 2 1 370.522 3.213 20 0 FGADMP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000262094742 497506851 /nfs/dbraw/zinc/50/68/51/497506851.db2.gz SEZBPYLWVQKBOF-QGZVFWFLSA-N 2 1 370.522 3.213 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710054 497512547 /nfs/dbraw/zinc/51/25/47/497512547.db2.gz NAJSUWRUAOHWRS-GPJHCHHRSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710054 497512551 /nfs/dbraw/zinc/51/25/51/497512551.db2.gz NAJSUWRUAOHWRS-GPJHCHHRSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710054 497512555 /nfs/dbraw/zinc/51/25/55/497512555.db2.gz NAJSUWRUAOHWRS-GPJHCHHRSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710054 497512558 /nfs/dbraw/zinc/51/25/58/497512558.db2.gz NAJSUWRUAOHWRS-GPJHCHHRSA-N 2 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710054 497512562 /nfs/dbraw/zinc/51/25/62/497512562.db2.gz NAJSUWRUAOHWRS-GPJHCHHRSA-N 2 1 371.569 3.009 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000578312770 505911852 /nfs/dbraw/zinc/91/18/52/505911852.db2.gz NVJKUVXSWGPPHP-SAWYMBPVSA-N 2 1 368.525 3.116 20 0 FGADMP CC1(C)CC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000193923244 497520758 /nfs/dbraw/zinc/52/07/58/497520758.db2.gz LDFNDWMIYKZIIW-SFHVURJKSA-N 2 1 372.557 3.117 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262202389 497523482 /nfs/dbraw/zinc/52/34/82/497523482.db2.gz WEQYLQUZFQLZBQ-DYESRHJHSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262261727 497531321 /nfs/dbraw/zinc/53/13/21/497531321.db2.gz JLXOJAMMAFNCGQ-WPJATSFPSA-N 2 1 369.553 3.309 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)oc1C ZINC000245915406 497569634 /nfs/dbraw/zinc/56/96/34/497569634.db2.gz PYJRQFYIOCFXEB-DFQSSKMNSA-N 2 1 361.530 3.297 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2)CCO1 ZINC000245933571 497577579 /nfs/dbraw/zinc/57/75/79/497577579.db2.gz SVNTYSBTRJVTHF-OTNPHJDUSA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)c2)CCO1 ZINC000245933571 497577582 /nfs/dbraw/zinc/57/75/82/497577582.db2.gz SVNTYSBTRJVTHF-OTNPHJDUSA-N 2 1 358.526 3.201 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000245983798 497589572 /nfs/dbraw/zinc/58/95/72/497589572.db2.gz HGQZOIDVSCZPMR-AZUAARDMSA-N 2 1 364.530 3.134 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000262670166 497595575 /nfs/dbraw/zinc/59/55/75/497595575.db2.gz RHCLPBANUKSOSI-QFBILLFUSA-N 2 1 357.523 3.085 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262687541 497601144 /nfs/dbraw/zinc/60/11/44/497601144.db2.gz YIQZFLSURXVQAY-UNMCSNQZSA-N 2 1 365.521 3.365 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000194260123 497616705 /nfs/dbraw/zinc/61/67/05/497616705.db2.gz VMIACRSBUJCQFW-FGZHOGPDSA-N 2 1 352.526 3.033 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)c1n[nH]c2c1C[NH2+]CC2)C1CCCCC1 ZINC000262806226 497625296 /nfs/dbraw/zinc/62/52/96/497625296.db2.gz SHQUSKKECXVBPH-UHFFFAOYSA-N 2 1 367.497 3.072 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000246132234 497632246 /nfs/dbraw/zinc/63/22/46/497632246.db2.gz AACQUNNDLFMAKU-ILXRZTDVSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC[N@H+]1C ZINC000246132234 497632250 /nfs/dbraw/zinc/63/22/50/497632250.db2.gz AACQUNNDLFMAKU-ILXRZTDVSA-N 2 1 352.320 3.100 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000246193198 497655544 /nfs/dbraw/zinc/65/55/44/497655544.db2.gz IOCZNUSWXBBTRK-FXAWDEMLSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000246193198 497655546 /nfs/dbraw/zinc/65/55/46/497655546.db2.gz IOCZNUSWXBBTRK-FXAWDEMLSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246193198 497655550 /nfs/dbraw/zinc/65/55/50/497655550.db2.gz IOCZNUSWXBBTRK-FXAWDEMLSA-N 2 1 360.546 3.008 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272672769 497697822 /nfs/dbraw/zinc/69/78/22/497697822.db2.gz PYJKHURBSPSPKH-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246346543 497703414 /nfs/dbraw/zinc/70/34/14/497703414.db2.gz FGBVLTZPOCIWOJ-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP CN(c1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000246367184 497709776 /nfs/dbraw/zinc/70/97/76/497709776.db2.gz GOJDWNWFYWSRNT-PZJWPPBQSA-N 3 1 358.574 3.179 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393455 497719543 /nfs/dbraw/zinc/71/95/43/497719543.db2.gz SNLXBRZIFHLUJZ-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393455 497719548 /nfs/dbraw/zinc/71/95/48/497719548.db2.gz SNLXBRZIFHLUJZ-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393455 497719555 /nfs/dbraw/zinc/71/95/55/497719555.db2.gz SNLXBRZIFHLUJZ-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000246421393 497729095 /nfs/dbraw/zinc/72/90/95/497729095.db2.gz BVTGVTJXXJRPEP-HMXCVIKNSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000246421393 497729103 /nfs/dbraw/zinc/72/91/03/497729103.db2.gz BVTGVTJXXJRPEP-HMXCVIKNSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000246421393 497729111 /nfs/dbraw/zinc/72/91/11/497729111.db2.gz BVTGVTJXXJRPEP-HMXCVIKNSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000246421393 497729117 /nfs/dbraw/zinc/72/91/17/497729117.db2.gz BVTGVTJXXJRPEP-HMXCVIKNSA-N 2 1 372.509 3.142 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000246456849 497739530 /nfs/dbraw/zinc/73/95/30/497739530.db2.gz UWCPZISPQWPPET-FHWLQOOXSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246461562 497742020 /nfs/dbraw/zinc/74/20/20/497742020.db2.gz FLVMBVJWBVJAJI-TYILLQQXSA-N 2 1 363.452 3.241 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853204 497745663 /nfs/dbraw/zinc/74/56/63/497745663.db2.gz SWVXKWLQWPZPCV-ICSRJNTNSA-N 2 1 369.509 3.208 20 0 FGADMP C[C@@H]1CCCN(C(=O)CN(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246482969 497749977 /nfs/dbraw/zinc/74/99/77/497749977.db2.gz HTESLEAPSNVOLW-DYXWJJEUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000194812424 497779802 /nfs/dbraw/zinc/77/98/02/497779802.db2.gz FWDPTUIWMHQXMW-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000194812424 497779806 /nfs/dbraw/zinc/77/98/06/497779806.db2.gz FWDPTUIWMHQXMW-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000194812424 497779811 /nfs/dbraw/zinc/77/98/11/497779811.db2.gz FWDPTUIWMHQXMW-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246608033 497788041 /nfs/dbraw/zinc/78/80/41/497788041.db2.gz WPDHAAVPTKDPCJ-NSHGMRRFSA-N 2 1 360.546 3.069 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246608033 497788043 /nfs/dbraw/zinc/78/80/43/497788043.db2.gz WPDHAAVPTKDPCJ-NSHGMRRFSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000246610913 497788567 /nfs/dbraw/zinc/78/85/67/497788567.db2.gz GRKFBJQSNYRZPH-GHTZIAJQSA-N 2 1 357.542 3.101 20 0 FGADMP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000246750996 497808007 /nfs/dbraw/zinc/80/80/07/497808007.db2.gz ZVZSKLIPLNJNEK-DWLFOUALSA-N 2 1 365.521 3.303 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836882 497815185 /nfs/dbraw/zinc/81/51/85/497815185.db2.gz BZZWEQSMSGWWDU-AEFFLSMTSA-N 2 1 365.949 3.399 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000296078205 497913463 /nfs/dbraw/zinc/91/34/63/497913463.db2.gz SLICKGRLZPGGBX-PZJWPPBQSA-N 2 1 367.541 3.077 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000296308017 497992775 /nfs/dbraw/zinc/99/27/75/497992775.db2.gz GMKWPOPXYSEUDE-UHFFFAOYSA-N 2 1 352.438 3.057 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000569559363 505964925 /nfs/dbraw/zinc/96/49/25/505964925.db2.gz FUJNVBFEQCMQJH-HLAWJBBLSA-N 2 1 366.509 3.266 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000569559363 505964929 /nfs/dbraw/zinc/96/49/29/505964929.db2.gz FUJNVBFEQCMQJH-HLAWJBBLSA-N 2 1 366.509 3.266 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000581340093 505965394 /nfs/dbraw/zinc/96/53/94/505965394.db2.gz DOUBVKZKGPCQPH-FDFHNCONSA-N 2 1 352.526 3.243 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000330114584 498027181 /nfs/dbraw/zinc/02/71/81/498027181.db2.gz DZRHUTAHBNCZKZ-LXZJYRNTSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000330114584 498027186 /nfs/dbraw/zinc/02/71/86/498027186.db2.gz DZRHUTAHBNCZKZ-LXZJYRNTSA-N 2 1 373.545 3.013 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCc3cncn3C2)c1 ZINC000569579826 505969626 /nfs/dbraw/zinc/96/96/26/505969626.db2.gz ZDLNGZWSIWVWDO-HXUWFJFHSA-N 2 1 368.525 3.384 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699550 498097610 /nfs/dbraw/zinc/09/76/10/498097610.db2.gz TZGFXXAWXQOWHF-MSYGRNIXSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699550 498097616 /nfs/dbraw/zinc/09/76/16/498097616.db2.gz TZGFXXAWXQOWHF-MSYGRNIXSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699550 498097620 /nfs/dbraw/zinc/09/76/20/498097620.db2.gz TZGFXXAWXQOWHF-MSYGRNIXSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699550 498097623 /nfs/dbraw/zinc/09/76/23/498097623.db2.gz TZGFXXAWXQOWHF-MSYGRNIXSA-N 2 1 364.537 3.500 20 0 FGADMP C[N@@H+](C[C@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285495207 498106159 /nfs/dbraw/zinc/10/61/59/498106159.db2.gz MHXOVVPGXIYDAI-XNMUZJSGSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285495207 498106166 /nfs/dbraw/zinc/10/61/66/498106166.db2.gz MHXOVVPGXIYDAI-XNMUZJSGSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285495207 498106175 /nfs/dbraw/zinc/10/61/75/498106175.db2.gz MHXOVVPGXIYDAI-XNMUZJSGSA-N 2 1 354.494 3.137 20 0 FGADMP C[N@H+](C[C@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527591 498116818 /nfs/dbraw/zinc/11/68/18/498116818.db2.gz OWCJWTBJORXWJD-CKQIIDDLSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285527591 498116826 /nfs/dbraw/zinc/11/68/26/498116826.db2.gz OWCJWTBJORXWJD-CKQIIDDLSA-N 2 1 353.304 3.040 20 0 FGADMP C[N@@H+](C[C@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527591 498116823 /nfs/dbraw/zinc/11/68/23/498116823.db2.gz OWCJWTBJORXWJD-CKQIIDDLSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@H](O)c1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285527591 498116831 /nfs/dbraw/zinc/11/68/31/498116831.db2.gz OWCJWTBJORXWJD-CKQIIDDLSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000569650144 505983641 /nfs/dbraw/zinc/98/36/41/505983641.db2.gz IIROGBWKSXPCBD-CQSZACIVSA-N 2 1 353.304 3.318 20 0 FGADMP c1ccc(O[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000578646857 505989048 /nfs/dbraw/zinc/98/90/48/505989048.db2.gz PEFZRFFQKNHBOZ-QFIPXVFZSA-N 2 1 352.478 3.172 20 0 FGADMP c1ccc(O[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000578646857 505989053 /nfs/dbraw/zinc/98/90/53/505989053.db2.gz PEFZRFFQKNHBOZ-QFIPXVFZSA-N 2 1 352.478 3.172 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000569675634 505990604 /nfs/dbraw/zinc/99/06/04/505990604.db2.gz FUHDLLNKWXDJAF-BJLQDIEVSA-N 2 1 372.557 3.330 20 0 FGADMP OCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000285924222 498241804 /nfs/dbraw/zinc/24/18/04/498241804.db2.gz CNVJNMODKIDQND-YPAWHYETSA-N 2 1 372.553 3.056 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790280 498309562 /nfs/dbraw/zinc/30/95/62/498309562.db2.gz DJHJGXWRYBHPQO-SJBKTWHCSA-N 2 1 359.477 3.206 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790280 498309571 /nfs/dbraw/zinc/30/95/71/498309571.db2.gz DJHJGXWRYBHPQO-SJBKTWHCSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790280 498309580 /nfs/dbraw/zinc/30/95/80/498309580.db2.gz DJHJGXWRYBHPQO-SJBKTWHCSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790280 498309589 /nfs/dbraw/zinc/30/95/89/498309589.db2.gz DJHJGXWRYBHPQO-SJBKTWHCSA-N 2 1 359.477 3.206 20 0 FGADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000302051382 498385755 /nfs/dbraw/zinc/38/57/55/498385755.db2.gz OUHGVIOABARISZ-GOSISDBHSA-N 2 1 352.526 3.322 20 0 FGADMP CC(=O)Nc1nc(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282148575 498400388 /nfs/dbraw/zinc/40/03/88/498400388.db2.gz SNKVXRHYWXGLPU-CQSZACIVSA-N 2 1 359.499 3.014 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCCc2c[nH+]cn2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000581615765 506028782 /nfs/dbraw/zinc/02/87/82/506028782.db2.gz SDTNIRNIFCUVJS-IEBWSBKVSA-N 2 1 366.431 3.195 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000365391433 498441438 /nfs/dbraw/zinc/44/14/38/498441438.db2.gz FKWFSGLQKLAWIA-ZWKOTPCHSA-N 2 1 358.530 3.046 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000365430776 498463682 /nfs/dbraw/zinc/46/36/82/498463682.db2.gz PQUQIOYHHLPWDR-QNGMFEMESA-N 2 1 355.526 3.032 20 0 FGADMP Cc1cnccc1OC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000575947253 506038976 /nfs/dbraw/zinc/03/89/76/506038976.db2.gz CKWBPHKBPCWZBL-SJLPKXTDSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000575947253 506038981 /nfs/dbraw/zinc/03/89/81/506038981.db2.gz CKWBPHKBPCWZBL-SJLPKXTDSA-N 2 1 374.529 3.063 20 0 FGADMP CC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290253951 498484346 /nfs/dbraw/zinc/48/43/46/498484346.db2.gz ULKDFTBRSKFNIZ-ITAUSPCMSA-N 2 1 357.542 3.326 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCS(=O)(=O)C(C)C)cc1F ZINC000362290781 498489225 /nfs/dbraw/zinc/48/92/25/498489225.db2.gz SSJSTUFYPRBKNM-CQSZACIVSA-N 2 1 367.490 3.184 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000581681333 506043779 /nfs/dbraw/zinc/04/37/79/506043779.db2.gz KSKPQHNIMRYIBG-VSKRKVRLSA-N 2 1 372.553 3.320 20 0 FGADMP C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CC[N@@H+]1C ZINC000293879354 498521101 /nfs/dbraw/zinc/52/11/01/498521101.db2.gz YYBFEYLDQQJDSG-WMZOPIPTSA-N 2 1 364.493 3.313 20 0 FGADMP C[C@H]1C[C@@H](C(=O)Nc2cc[nH+]c(N3CCc4ccccc4C3)c2)CC[N@H+]1C ZINC000293879354 498521104 /nfs/dbraw/zinc/52/11/04/498521104.db2.gz YYBFEYLDQQJDSG-WMZOPIPTSA-N 2 1 364.493 3.313 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4c3cccc4F)CC2)CC1 ZINC000569940456 506052890 /nfs/dbraw/zinc/05/28/90/506052890.db2.gz ZIRTVZPIDBZVOG-NRFANRHFSA-N 2 1 373.516 3.126 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000297762042 498560513 /nfs/dbraw/zinc/56/05/13/498560513.db2.gz UZOGVADMLRUXHC-UHFFFAOYSA-N 2 1 369.387 3.157 20 0 FGADMP CCCn1c(C)nnc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282601439 498576569 /nfs/dbraw/zinc/57/65/69/498576569.db2.gz YBVYGNUPCCHQKW-LJQANCHMSA-N 2 1 355.530 3.387 20 0 FGADMP C[C@H](O)c1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)s1 ZINC000290519729 498583312 /nfs/dbraw/zinc/58/33/12/498583312.db2.gz XMSGLBUSGOQDDP-OAGGEKHMSA-N 2 1 359.539 3.443 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(CNCc3c(F)ccc(O)c3F)c2)CCO1 ZINC000294167027 498608401 /nfs/dbraw/zinc/60/84/01/498608401.db2.gz IZLGADCYUQTBBM-CQSZACIVSA-N 2 1 362.420 3.181 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000576043166 506062659 /nfs/dbraw/zinc/06/26/59/506062659.db2.gz DWTHYWGFKVJLFZ-PMXSJFBMSA-N 2 1 357.542 3.311 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000365775926 498636659 /nfs/dbraw/zinc/63/66/59/498636659.db2.gz CIHBZMIRZWQDLZ-LJQANCHMSA-N 2 1 373.545 3.055 20 0 FGADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Oc1ccccc1 ZINC000578988773 506068969 /nfs/dbraw/zinc/06/89/69/506068969.db2.gz OMLVOBZNGNSTNB-HDICACEKSA-N 2 1 365.477 3.349 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000294367043 498672337 /nfs/dbraw/zinc/67/23/37/498672337.db2.gz ZFOQUDANHYCVAH-QHCPKHFHSA-N 2 1 369.553 3.233 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294380423 498676366 /nfs/dbraw/zinc/67/63/66/498676366.db2.gz HIBIUDNSOAYYNL-UHFFFAOYSA-N 2 1 363.465 3.038 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294380423 498676374 /nfs/dbraw/zinc/67/63/74/498676374.db2.gz HIBIUDNSOAYYNL-UHFFFAOYSA-N 2 1 363.465 3.038 20 0 FGADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000298204505 498693249 /nfs/dbraw/zinc/69/32/49/498693249.db2.gz YIDZRJHOSXPNKO-INIZCTEOSA-N 2 1 363.465 3.375 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCCC1 ZINC000303567235 498693567 /nfs/dbraw/zinc/69/35/67/498693567.db2.gz OFRJPWKGLHZMMQ-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)cn1 ZINC000287265604 498694949 /nfs/dbraw/zinc/69/49/49/498694949.db2.gz ARFVJIMCPYWPSX-MAUKXSAKSA-N 2 1 373.472 3.037 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)cn1 ZINC000287265604 498694954 /nfs/dbraw/zinc/69/49/54/498694954.db2.gz ARFVJIMCPYWPSX-MAUKXSAKSA-N 2 1 373.472 3.037 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000282970417 498731340 /nfs/dbraw/zinc/73/13/40/498731340.db2.gz DCEZEIMBSQPCTD-ATZDWAIDSA-N 2 1 353.466 3.217 20 0 FGADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000576115351 506080960 /nfs/dbraw/zinc/08/09/60/506080960.db2.gz VUWJNAAZYWTILB-HXUWFJFHSA-N 2 1 369.509 3.310 20 0 FGADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000576115351 506080967 /nfs/dbraw/zinc/08/09/67/506080967.db2.gz VUWJNAAZYWTILB-HXUWFJFHSA-N 2 1 369.509 3.310 20 0 FGADMP O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000303987672 498733760 /nfs/dbraw/zinc/73/37/60/498733760.db2.gz LYOSIEWEFOKDMI-PMACEKPBSA-N 2 1 357.498 3.004 20 0 FGADMP C[C@@H](N(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1(C)CC1 ZINC000363317888 498759839 /nfs/dbraw/zinc/75/98/39/498759839.db2.gz HLFGOZQLUMOTED-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294719365 498782334 /nfs/dbraw/zinc/78/23/34/498782334.db2.gz BSMLQSYSBPKALI-QFBILLFUSA-N 2 1 357.523 3.085 20 0 FGADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209438 498824433 /nfs/dbraw/zinc/82/44/33/498824433.db2.gz KDAILCGKBBPRQE-RCCFBDPRSA-N 2 1 357.498 3.158 20 0 FGADMP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275131 498853343 /nfs/dbraw/zinc/85/33/43/498853343.db2.gz ARPZSJMBIVNUHC-KSSFIOAISA-N 2 1 373.547 3.444 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000579138733 506102637 /nfs/dbraw/zinc/10/26/37/506102637.db2.gz VIENHFLSWNHRJU-IBGZPJMESA-N 2 1 371.525 3.272 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000579138733 506102640 /nfs/dbraw/zinc/10/26/40/506102640.db2.gz VIENHFLSWNHRJU-IBGZPJMESA-N 2 1 371.525 3.272 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000579138733 506102642 /nfs/dbraw/zinc/10/26/42/506102642.db2.gz VIENHFLSWNHRJU-IBGZPJMESA-N 2 1 371.525 3.272 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000579138733 506102646 /nfs/dbraw/zinc/10/26/46/506102646.db2.gz VIENHFLSWNHRJU-IBGZPJMESA-N 2 1 371.525 3.272 20 0 FGADMP COc1cc(Br)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000295031219 498885982 /nfs/dbraw/zinc/88/59/82/498885982.db2.gz NXLVTXGCECEIAU-YHWZYXNKSA-N 2 1 369.303 3.181 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000295174398 498931917 /nfs/dbraw/zinc/93/19/17/498931917.db2.gz LVWIDYAUXSZWEE-GFSYIJCISA-N 2 1 363.505 3.307 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000363673547 498937214 /nfs/dbraw/zinc/93/72/14/498937214.db2.gz PXTRQMBHXUTKIB-YESZJQIVSA-N 2 1 362.518 3.119 20 0 FGADMP CSc1cccc(NC(=O)CN(C)C2CCN(c3ccccn3)CC2)c1 ZINC000363678423 498939974 /nfs/dbraw/zinc/93/99/74/498939974.db2.gz QXZQYEZADOGIFZ-UHFFFAOYSA-N 2 1 370.522 3.343 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467135 498940894 /nfs/dbraw/zinc/94/08/94/498940894.db2.gz BFJCCOSBIXQIGQ-NSHGMRRFSA-N 2 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467135 498940899 /nfs/dbraw/zinc/94/08/99/498940899.db2.gz BFJCCOSBIXQIGQ-NSHGMRRFSA-N 3 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467135 498940901 /nfs/dbraw/zinc/94/09/01/498940901.db2.gz BFJCCOSBIXQIGQ-NSHGMRRFSA-N 3 1 355.526 3.191 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299149520 498979111 /nfs/dbraw/zinc/97/91/11/498979111.db2.gz YRHTZJJJHSWRLS-IXDOHACOSA-N 2 1 358.530 3.393 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582052537 506122557 /nfs/dbraw/zinc/12/25/57/506122557.db2.gz FRFDKCROXSHOSY-SESVDKBCSA-N 2 1 372.557 3.058 20 0 FGADMP CC(C)c1cnc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000363868213 499032439 /nfs/dbraw/zinc/03/24/39/499032439.db2.gz MVHQWBVCVNESOP-UHFFFAOYSA-N 2 1 350.576 3.116 20 0 FGADMP CC(=O)N1CCC(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284028623 499033314 /nfs/dbraw/zinc/03/33/14/499033314.db2.gz JDVPIGMXNGBOBY-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[C@@H](CC)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363990659 499076974 /nfs/dbraw/zinc/07/69/74/499076974.db2.gz ADLCLGUHYCVKGT-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000284302153 499085216 /nfs/dbraw/zinc/08/52/16/499085216.db2.gz ZFOJZJKTNZAFQD-QHCPKHFHSA-N 2 1 371.569 3.228 20 0 FGADMP c1ccc(C[NH+]2CCCO[C@@H](CN3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000284302153 499085217 /nfs/dbraw/zinc/08/52/17/499085217.db2.gz ZFOJZJKTNZAFQD-QHCPKHFHSA-N 2 1 371.569 3.228 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000372463349 499130413 /nfs/dbraw/zinc/13/04/13/499130413.db2.gz ICVBJECAVHSVKL-WMZOPIPTSA-N 2 1 368.525 3.275 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)C2 ZINC000372463349 499130414 /nfs/dbraw/zinc/13/04/14/499130414.db2.gz ICVBJECAVHSVKL-WMZOPIPTSA-N 2 1 368.525 3.275 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000372463349 499130416 /nfs/dbraw/zinc/13/04/16/499130416.db2.gz ICVBJECAVHSVKL-WMZOPIPTSA-N 2 1 368.525 3.275 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000367065918 499142794 /nfs/dbraw/zinc/14/27/94/499142794.db2.gz HKOUCANVAFCYOT-JFIYKMOQSA-N 2 1 351.535 3.096 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2cccc(F)c2)CC1 ZINC000367215614 499162983 /nfs/dbraw/zinc/16/29/83/499162983.db2.gz JYBQHKNFWRRGPT-UHFFFAOYSA-N 2 1 358.461 3.462 20 0 FGADMP CCC[N@H+](Cc1c(C)cnn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367306918 499177701 /nfs/dbraw/zinc/17/77/01/499177701.db2.gz BNZIRMBPTXSFQQ-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CCC[N@@H+](Cc1c(C)cnn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367306918 499177704 /nfs/dbraw/zinc/17/77/04/499177704.db2.gz BNZIRMBPTXSFQQ-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000370113938 499182604 /nfs/dbraw/zinc/18/26/04/499182604.db2.gz SMKSKEFGQHYPBI-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[C@]1(CO)CC[NH+](CCCCC[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367369954 499189634 /nfs/dbraw/zinc/18/96/34/499189634.db2.gz JJAKQVMIRVQXIE-SFTDATJTSA-N 2 1 354.579 3.126 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CCN(c3ccccn3)CC2)o1 ZINC000367422344 499197297 /nfs/dbraw/zinc/19/72/97/499197297.db2.gz JTSQKQHHABEEPZ-UHFFFAOYSA-N 2 1 351.454 3.474 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCc1ccccc1 ZINC000370259346 499203143 /nfs/dbraw/zinc/20/31/43/499203143.db2.gz GETSYOIQEWSCRB-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300074 499207092 /nfs/dbraw/zinc/20/70/92/499207092.db2.gz HYGAPDSBOFXYBV-ZOBUZTSGSA-N 2 1 366.575 3.016 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000367675336 499223777 /nfs/dbraw/zinc/22/37/77/499223777.db2.gz ZEMTYSZHTFITOQ-HXUWFJFHSA-N 2 1 367.537 3.178 20 0 FGADMP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775630 499253392 /nfs/dbraw/zinc/25/33/92/499253392.db2.gz WYENJKFOSKOQHC-YJBOKZPZSA-N 2 1 371.447 3.204 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000368062842 499260675 /nfs/dbraw/zinc/26/06/75/499260675.db2.gz LJHQCVPIQFIQME-GOSISDBHSA-N 2 1 356.470 3.120 20 0 FGADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccn4ccnc4c3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000368116579 499266072 /nfs/dbraw/zinc/26/60/72/499266072.db2.gz XCWPBCNAWJNFPU-KPFFTGBYSA-N 2 1 361.449 3.101 20 0 FGADMP Cc1cccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000368163852 499270385 /nfs/dbraw/zinc/27/03/85/499270385.db2.gz SUZUHKGLDAISAF-UHFFFAOYSA-N 2 1 373.545 3.050 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000371021656 499281029 /nfs/dbraw/zinc/28/10/29/499281029.db2.gz FNGNZFYDKHRAOJ-LJQANCHMSA-N 2 1 354.498 3.373 20 0 FGADMP C[C@@H](CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000371086471 499287291 /nfs/dbraw/zinc/28/72/91/499287291.db2.gz LFIPHCRXPONOJD-IBGZPJMESA-N 2 1 371.569 3.493 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@H]3C)cc(=O)oc2c1 ZINC000368417926 499293903 /nfs/dbraw/zinc/29/39/03/499293903.db2.gz VEKOOQNLLSVGHN-YVWKXTFCSA-N 2 1 370.493 3.080 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@H]3C)cc(=O)oc2c1 ZINC000368417926 499293905 /nfs/dbraw/zinc/29/39/05/499293905.db2.gz VEKOOQNLLSVGHN-YVWKXTFCSA-N 2 1 370.493 3.080 20 0 FGADMP Cc1cccc(NC2CCN(c3ncnc4c3cnn4C(C)(C)C)CC2)[nH+]1 ZINC000371309985 499308490 /nfs/dbraw/zinc/30/84/90/499308490.db2.gz FHYANHZDPACEEZ-UHFFFAOYSA-N 2 1 365.485 3.366 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000368575174 499309280 /nfs/dbraw/zinc/30/92/80/499309280.db2.gz INWCAZYRLQOQIR-RDTXWAMCSA-N 2 1 362.495 3.254 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc(OC)c1O ZINC000368575171 499309336 /nfs/dbraw/zinc/30/93/36/499309336.db2.gz INWCAZYRLQOQIR-KBXCAEBGSA-N 2 1 362.495 3.254 20 0 FGADMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368584253 499310475 /nfs/dbraw/zinc/31/04/75/499310475.db2.gz VUWHJROGFUPOSN-DOMZBBRYSA-N 2 1 365.524 3.033 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368584253 499310477 /nfs/dbraw/zinc/31/04/77/499310477.db2.gz VUWHJROGFUPOSN-DOMZBBRYSA-N 2 1 365.524 3.033 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460001 499329591 /nfs/dbraw/zinc/32/95/91/499329591.db2.gz WRQSMLPFOZRALZ-DYESRHJHSA-N 2 1 350.510 3.397 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470432 499331231 /nfs/dbraw/zinc/33/12/31/499331231.db2.gz LKRQXBQHSUVBSQ-CEXWTWQISA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470432 499331232 /nfs/dbraw/zinc/33/12/32/499331232.db2.gz LKRQXBQHSUVBSQ-CEXWTWQISA-N 2 1 374.916 3.414 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)cc1 ZINC000371486640 499333253 /nfs/dbraw/zinc/33/32/53/499333253.db2.gz YRXVUGHGHQMKJO-VQIMIIECSA-N 2 1 362.481 3.290 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514896 499336611 /nfs/dbraw/zinc/33/66/11/499336611.db2.gz QTEMSFAKMBODGT-LRQRDZAKSA-N 2 1 362.481 3.006 20 0 FGADMP CCC[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)ccc3OC)CC2)CC1 ZINC000369153733 499371710 /nfs/dbraw/zinc/37/17/10/499371710.db2.gz FDASSFXCVAXPEG-UHFFFAOYSA-N 2 1 365.949 3.341 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372079898 499396822 /nfs/dbraw/zinc/39/68/22/499396822.db2.gz JBVHVUVXEACUQU-SFHVURJKSA-N 2 1 355.526 3.371 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424839 499433315 /nfs/dbraw/zinc/43/33/15/499433315.db2.gz IMVIRSMFJMGYQC-NHCUHLMSSA-N 2 1 361.574 3.364 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424841 499433375 /nfs/dbraw/zinc/43/33/75/499433375.db2.gz IMVIRSMFJMGYQC-SFTDATJTSA-N 2 1 361.574 3.364 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000369766949 499441729 /nfs/dbraw/zinc/44/17/29/499441729.db2.gz PACVCTHEXWMSEQ-IRLDBZIGSA-N 2 1 359.558 3.030 20 0 FGADMP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000375246006 499498850 /nfs/dbraw/zinc/49/88/50/499498850.db2.gz QXIIQQLXFLXADQ-KOUNCHBCSA-N 2 1 363.505 3.170 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000375520557 499528159 /nfs/dbraw/zinc/52/81/59/499528159.db2.gz BCUIZVWDFXTKQP-MSOLQXFVSA-N 2 1 374.529 3.394 20 0 FGADMP C[NH+](C)CCOc1ccccc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000378530544 499528767 /nfs/dbraw/zinc/52/87/67/499528767.db2.gz RDSZTXGCGJHOGO-UHFFFAOYSA-N 2 1 365.477 3.357 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614914 499537696 /nfs/dbraw/zinc/53/76/96/499537696.db2.gz FQIYGMWCFFYTPK-SNHGZMDHSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614914 499537698 /nfs/dbraw/zinc/53/76/98/499537698.db2.gz FQIYGMWCFFYTPK-SNHGZMDHSA-N 2 1 359.514 3.185 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000379622625 499542043 /nfs/dbraw/zinc/54/20/43/499542043.db2.gz GYVHAXRMWVBKMW-HOJAQTOUSA-N 2 1 374.550 3.268 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000379622625 499542045 /nfs/dbraw/zinc/54/20/45/499542045.db2.gz GYVHAXRMWVBKMW-HOJAQTOUSA-N 2 1 374.550 3.268 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000379638494 499542391 /nfs/dbraw/zinc/54/23/91/499542391.db2.gz ZZZKTLXKRRPQJZ-LPHOPBHVSA-N 2 1 369.509 3.263 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000379638494 499542392 /nfs/dbraw/zinc/54/23/92/499542392.db2.gz ZZZKTLXKRRPQJZ-LPHOPBHVSA-N 2 1 369.509 3.263 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676785 499542938 /nfs/dbraw/zinc/54/29/38/499542938.db2.gz AWNBERMDCQDTBD-DUXKGJEZSA-N 2 1 357.542 3.453 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852675 499544102 /nfs/dbraw/zinc/54/41/02/499544102.db2.gz CNDHNLOOIKWDFU-FCHUYYIVSA-N 2 1 368.521 3.318 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1Cl ZINC000381583115 499544782 /nfs/dbraw/zinc/54/47/82/499544782.db2.gz CBOAIIBJRLTMSP-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000382765296 499546188 /nfs/dbraw/zinc/54/61/88/499546188.db2.gz RSCHOORJDWIVSN-IBGZPJMESA-N 2 1 365.521 3.185 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000382732934 499546217 /nfs/dbraw/zinc/54/62/17/499546217.db2.gz DAHIGKXNTKNVRO-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330963 499550710 /nfs/dbraw/zinc/55/07/10/499550710.db2.gz RNEFQWAQLJCCAR-QUCCMNQESA-N 2 1 374.912 3.191 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375814142 499558327 /nfs/dbraw/zinc/55/83/27/499558327.db2.gz KUOXUVPYUQDBLO-MAUKXSAKSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375814142 499558329 /nfs/dbraw/zinc/55/83/29/499558329.db2.gz KUOXUVPYUQDBLO-MAUKXSAKSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000375894661 499566073 /nfs/dbraw/zinc/56/60/73/499566073.db2.gz GAQOJDDBFPOWRD-ZCDKGFTFSA-N 2 1 352.482 3.134 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000375894661 499566074 /nfs/dbraw/zinc/56/60/74/499566074.db2.gz GAQOJDDBFPOWRD-ZCDKGFTFSA-N 2 1 352.482 3.134 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000375907125 499567575 /nfs/dbraw/zinc/56/75/75/499567575.db2.gz RJRFMSJHHPYAHF-IBGZPJMESA-N 2 1 365.949 3.209 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C12CCC2 ZINC000376168587 499588493 /nfs/dbraw/zinc/58/84/93/499588493.db2.gz XLQDJWUOHLCIFI-LEWJYISDSA-N 3 1 363.590 3.120 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000376803061 499635446 /nfs/dbraw/zinc/63/54/46/499635446.db2.gz UJJYFBILCFTYJH-ITAUSPCMSA-N 2 1 353.510 3.190 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000377044558 499656628 /nfs/dbraw/zinc/65/66/28/499656628.db2.gz HEXSHRWOHJEFBL-RBUKOAKNSA-N 2 1 360.546 3.233 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377336616 499681089 /nfs/dbraw/zinc/68/10/89/499681089.db2.gz KUDZPQOCWJCHKN-KRWDZBQOSA-N 2 1 356.466 3.021 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000377404323 499687221 /nfs/dbraw/zinc/68/72/21/499687221.db2.gz YDOGOQIZVNZOQY-JOCHJYFZSA-N 2 1 368.525 3.366 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550176 499703509 /nfs/dbraw/zinc/70/35/09/499703509.db2.gz OCELXKRLEFRUBM-CVAIRZPRSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550176 499703511 /nfs/dbraw/zinc/70/35/11/499703511.db2.gz OCELXKRLEFRUBM-CVAIRZPRSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550176 499703512 /nfs/dbraw/zinc/70/35/12/499703512.db2.gz OCELXKRLEFRUBM-CVAIRZPRSA-N 2 1 352.482 3.232 20 0 FGADMP CN1CC[NH+](C[C@@H]2CCCN(c3cc[nH+]c4ccc(Cl)cc43)C2)CC1 ZINC000377680135 499719163 /nfs/dbraw/zinc/71/91/63/499719163.db2.gz PHMIQGGHBXCUHH-INIZCTEOSA-N 2 1 358.917 3.352 20 0 FGADMP Cc1cnc2cc(C(=O)NC(C)(C)C[N@@H+](C)Cc3ccccc3)ccn12 ZINC000573264628 506157089 /nfs/dbraw/zinc/15/70/89/506157089.db2.gz DXGIGZYMGOZIJR-UHFFFAOYSA-N 2 1 350.466 3.283 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328807 499726357 /nfs/dbraw/zinc/72/63/57/499726357.db2.gz QGQPVYIVLCEJJH-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000411328807 499726358 /nfs/dbraw/zinc/72/63/58/499726358.db2.gz QGQPVYIVLCEJJH-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000411328807 499726359 /nfs/dbraw/zinc/72/63/59/499726359.db2.gz QGQPVYIVLCEJJH-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP COC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741913 499727197 /nfs/dbraw/zinc/72/71/97/499727197.db2.gz XDNQMJAOJYITLK-IRLDBZIGSA-N 2 1 360.542 3.320 20 0 FGADMP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411402999 499735422 /nfs/dbraw/zinc/73/54/22/499735422.db2.gz ADJRPPPZWDGWLC-BHIFYINESA-N 2 1 358.526 3.441 20 0 FGADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000411402999 499735424 /nfs/dbraw/zinc/73/54/24/499735424.db2.gz ADJRPPPZWDGWLC-BHIFYINESA-N 2 1 358.526 3.441 20 0 FGADMP CCN1C[C@H](C)[NH+](CC[C@@H](C)CC[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000411416649 499737251 /nfs/dbraw/zinc/73/72/51/499737251.db2.gz CZYUWGLSEBCWCI-CUUWFGFTSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[N@H+](CC[C@@H](C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000411416649 499737253 /nfs/dbraw/zinc/73/72/53/499737253.db2.gz CZYUWGLSEBCWCI-CUUWFGFTSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[N@@H+](CC[C@@H](C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@H]1C ZINC000411416649 499737254 /nfs/dbraw/zinc/73/72/54/499737254.db2.gz CZYUWGLSEBCWCI-CUUWFGFTSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CCN1C1CC[NH+](C)CC1 ZINC000377870592 499743883 /nfs/dbraw/zinc/74/38/83/499743883.db2.gz VTRVNWBIZZYXDY-QGZVFWFLSA-N 2 1 374.960 3.395 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000411548606 499753825 /nfs/dbraw/zinc/75/38/25/499753825.db2.gz FLLXEMIRZHBCQQ-AEFFLSMTSA-N 2 1 351.560 3.197 20 0 FGADMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558929 499763123 /nfs/dbraw/zinc/76/31/23/499763123.db2.gz MQCOVKUEJSLFRX-SFTDATJTSA-N 2 1 374.525 3.215 20 0 FGADMP CCOC(=O)C[C@@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561809 499763438 /nfs/dbraw/zinc/76/34/38/499763438.db2.gz RNAQQPVIHMLLDL-SFTDATJTSA-N 2 1 374.525 3.215 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414313330 499776852 /nfs/dbraw/zinc/77/68/52/499776852.db2.gz OSXOQWPOIIIYTA-AGHHOFFYSA-N 2 1 356.485 3.402 20 0 FGADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(-c2ncco2)cc1F ZINC000411738190 499785004 /nfs/dbraw/zinc/78/50/04/499785004.db2.gz SMKLQPBLSAYTAV-UHFFFAOYSA-N 2 1 374.504 3.330 20 0 FGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(-c2ncco2)cc1F ZINC000411738190 499785005 /nfs/dbraw/zinc/78/50/05/499785005.db2.gz SMKLQPBLSAYTAV-UHFFFAOYSA-N 2 1 374.504 3.330 20 0 FGADMP OCC1([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000414553271 499807636 /nfs/dbraw/zinc/80/76/36/499807636.db2.gz KTYWVWNFIBNHGX-UHFFFAOYSA-N 2 1 354.538 3.428 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412039166 499815828 /nfs/dbraw/zinc/81/58/28/499815828.db2.gz PSMIXSWFBIWWRI-FQEVSTJZSA-N 2 1 355.526 3.419 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714845 499822170 /nfs/dbraw/zinc/82/21/70/499822170.db2.gz VYWYIVUEWAKVJA-RTWAWAEBSA-N 2 1 357.542 3.061 20 0 FGADMP c1cc(COc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773215 499829481 /nfs/dbraw/zinc/82/94/81/499829481.db2.gz DDZLCMLOQIVSHG-NHCUHLMSSA-N 2 1 351.494 3.482 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(Br)c1O ZINC000414815869 499834056 /nfs/dbraw/zinc/83/40/56/499834056.db2.gz YPDNVNIXXAEBJE-NSHDSACASA-N 2 1 365.271 3.473 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)c1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000412229354 499836380 /nfs/dbraw/zinc/83/63/80/499836380.db2.gz MMXFVVSZKFKTRJ-UHFFFAOYSA-N 2 1 355.526 3.373 20 0 FGADMP C[C@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000414882921 499841007 /nfs/dbraw/zinc/84/10/07/499841007.db2.gz SNTZURXPEWJGKC-SIKLNZKXSA-N 2 1 352.526 3.204 20 0 FGADMP [NH3+][C@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)C1CC1 ZINC000414888652 499841771 /nfs/dbraw/zinc/84/17/71/499841771.db2.gz KJLCQNZKZOBVOT-GOSISDBHSA-N 2 1 352.507 3.487 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414896444 499842681 /nfs/dbraw/zinc/84/26/81/499842681.db2.gz BUDRJWDWRGBWHK-YJBOKZPZSA-N 2 1 355.486 3.317 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000414898049 499843108 /nfs/dbraw/zinc/84/31/08/499843108.db2.gz FSWRCWOLKCDAPW-CRAIPNDOSA-N 2 1 355.486 3.256 20 0 FGADMP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414906471 499843556 /nfs/dbraw/zinc/84/35/56/499843556.db2.gz PUNACAFCUUDDIC-SFHVURJKSA-N 2 1 355.486 3.271 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000414914319 499844368 /nfs/dbraw/zinc/84/43/68/499844368.db2.gz XYBYJMJIIQYJCM-RDJZCZTQSA-N 2 1 355.486 3.256 20 0 FGADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931391 499845663 /nfs/dbraw/zinc/84/56/63/499845663.db2.gz BRMZFSJCQVOAJH-SUMWQHHRSA-N 2 1 352.404 3.038 20 0 FGADMP COc1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058736 499859442 /nfs/dbraw/zinc/85/94/42/499859442.db2.gz WCYLZCZXXNCFLE-HOCLYGCPSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058736 499859444 /nfs/dbraw/zinc/85/94/44/499859444.db2.gz WCYLZCZXXNCFLE-HOCLYGCPSA-N 2 1 350.528 3.390 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000415073204 499860974 /nfs/dbraw/zinc/86/09/74/499860974.db2.gz YBPRJADSXRAKPU-UHFFFAOYSA-N 2 1 357.292 3.088 20 0 FGADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415084700 499861959 /nfs/dbraw/zinc/86/19/59/499861959.db2.gz HIYLMMJHLUIFHO-SFTDATJTSA-N 2 1 369.484 3.245 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3NCC4)c2)CCO1 ZINC000415089479 499862237 /nfs/dbraw/zinc/86/22/37/499862237.db2.gz XZASIAPMIAXEDF-QGZVFWFLSA-N 2 1 351.494 3.165 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3NCC4)c2)CCO1 ZINC000415089479 499862238 /nfs/dbraw/zinc/86/22/38/499862238.db2.gz XZASIAPMIAXEDF-QGZVFWFLSA-N 2 1 351.494 3.165 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000415123252 499866606 /nfs/dbraw/zinc/86/66/06/499866606.db2.gz PJTOUZFMWJMJQP-HOJAQTOUSA-N 2 1 372.557 3.107 20 0 FGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@H](C)[NH3+])cc3)c2C1 ZINC000415465700 499894723 /nfs/dbraw/zinc/89/47/23/499894723.db2.gz PWUIEYAPNRHAIE-AWEZNQCLSA-N 2 1 366.465 3.009 20 0 FGADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@H](C)[NH3+])cc3)c2C1 ZINC000415465700 499894724 /nfs/dbraw/zinc/89/47/24/499894724.db2.gz PWUIEYAPNRHAIE-AWEZNQCLSA-N 2 1 366.465 3.009 20 0 FGADMP COc1cc2[nH+]ccc(N3CC[NH+](Cc4ccco4)CC3)c2cc1OC ZINC000413037370 499905828 /nfs/dbraw/zinc/90/58/28/499905828.db2.gz RUHILYNHFJVDKO-UHFFFAOYSA-N 2 1 353.422 3.167 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000415899134 499925946 /nfs/dbraw/zinc/92/59/46/499925946.db2.gz JATZQHMUTHAVDL-QFBILLFUSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415903794 499926451 /nfs/dbraw/zinc/92/64/51/499926451.db2.gz QRERYCVKIVAPEW-IBGZPJMESA-N 2 1 352.482 3.192 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415910071 499927432 /nfs/dbraw/zinc/92/74/32/499927432.db2.gz AVNFCQBLWZYJSI-LAUBAEHRSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000415929389 499929787 /nfs/dbraw/zinc/92/97/87/499929787.db2.gz GVQXYIVLSONGPF-OAQYLSRUSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000415929389 499929788 /nfs/dbraw/zinc/92/97/88/499929788.db2.gz GVQXYIVLSONGPF-OAQYLSRUSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000415944240 499931576 /nfs/dbraw/zinc/93/15/76/499931576.db2.gz OIKDPKFOHHDVAA-UHFFFAOYSA-N 2 1 354.498 3.440 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415949489 499932536 /nfs/dbraw/zinc/93/25/36/499932536.db2.gz BZMVJRYYFNALIX-ZDUSSCGKSA-N 2 1 372.435 3.264 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977785 499936509 /nfs/dbraw/zinc/93/65/09/499936509.db2.gz YRNRNGCKNNAFER-LAUBAEHRSA-N 2 1 366.509 3.438 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000416121641 499950372 /nfs/dbraw/zinc/95/03/72/499950372.db2.gz HFALVTUXYJWECH-PMACEKPBSA-N 2 1 369.509 3.107 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000429007389 499980532 /nfs/dbraw/zinc/98/05/32/499980532.db2.gz JSPWXBIIWPYBQS-MRXNPFEDSA-N 2 1 370.266 3.197 20 0 FGADMP Cc1cc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000416235695 499990236 /nfs/dbraw/zinc/99/02/36/499990236.db2.gz VWIQNRFXYLQFMB-HXUWFJFHSA-N 2 1 366.509 3.299 20 0 FGADMP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417229979 500011719 /nfs/dbraw/zinc/01/17/19/500011719.db2.gz YMXFWBXEPMFJMS-QGZVFWFLSA-N 2 1 360.546 3.378 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000429163665 500017138 /nfs/dbraw/zinc/01/71/38/500017138.db2.gz NUWZQUSLCUGGKS-NHCUHLMSSA-N 2 1 351.494 3.176 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]C3CC4(C3)CCCCC4)cc2)CC1 ZINC000421333732 500019913 /nfs/dbraw/zinc/01/99/13/500019913.db2.gz OVIXQZRMZXEQLZ-UHFFFAOYSA-N 2 1 355.526 3.277 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000421373013 500031000 /nfs/dbraw/zinc/03/10/00/500031000.db2.gz LWVRRLDNUNCDNB-UHFFFAOYSA-N 2 1 373.570 3.130 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311222 500036544 /nfs/dbraw/zinc/03/65/44/500036544.db2.gz LNUVASHHJRMHBV-XFIJJGBISA-N 2 1 356.535 3.467 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311222 500036548 /nfs/dbraw/zinc/03/65/48/500036548.db2.gz LNUVASHHJRMHBV-XFIJJGBISA-N 2 1 356.535 3.467 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cc(C)n1 ZINC000421575380 500085670 /nfs/dbraw/zinc/08/56/70/500085670.db2.gz JYUBGIJFDXUJBC-HUUCEWRRSA-N 2 1 357.420 3.223 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)C[C@@H]3c3ccccc3)cn2)CC1 ZINC000425371730 500087321 /nfs/dbraw/zinc/08/73/21/500087321.db2.gz MBNJRSJEIKBNLQ-HXUWFJFHSA-N 2 1 365.525 3.202 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)C[C@@H]3c3ccccc3)cn2)CC1 ZINC000425371730 500087324 /nfs/dbraw/zinc/08/73/24/500087324.db2.gz MBNJRSJEIKBNLQ-HXUWFJFHSA-N 2 1 365.525 3.202 20 0 FGADMP O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000573339641 506175158 /nfs/dbraw/zinc/17/51/58/506175158.db2.gz RLLWQLKGXOKHSX-RTWAWAEBSA-N 2 1 355.526 3.174 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CC3(OC)CCC3)cc2)CC1 ZINC000429522936 500092632 /nfs/dbraw/zinc/09/26/32/500092632.db2.gz QQGTYAODMXISFH-IBGZPJMESA-N 2 1 359.558 3.261 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400050 500094873 /nfs/dbraw/zinc/09/48/73/500094873.db2.gz XHJTXRJPSNOKFB-HXUWFJFHSA-N 2 1 357.542 3.230 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000425445780 500108643 /nfs/dbraw/zinc/10/86/43/500108643.db2.gz NKIRJJURZDKTIV-ZLNRFVROSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000425445780 500108646 /nfs/dbraw/zinc/10/86/46/500108646.db2.gz NKIRJJURZDKTIV-ZLNRFVROSA-N 2 1 350.506 3.044 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C1 ZINC000579454597 506178920 /nfs/dbraw/zinc/17/89/20/506178920.db2.gz OBQYJBDLIZPWCS-QFBILLFUSA-N 2 1 372.538 3.027 20 0 FGADMP COc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)c(F)c1 ZINC000421825641 500160280 /nfs/dbraw/zinc/16/02/80/500160280.db2.gz OOVWXUQBBKOAMI-OAQYLSRUSA-N 2 1 363.521 3.149 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842370 500162768 /nfs/dbraw/zinc/16/27/68/500162768.db2.gz KVBNPGIQIBOOAE-PWRODBHTSA-N 2 1 362.489 3.253 20 0 FGADMP CCCN1C[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000421872468 500167585 /nfs/dbraw/zinc/16/75/85/500167585.db2.gz GUEHWVYSQZAGCJ-QNGMFEMESA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@H+](Cc1cc(C)nn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417777583 500169793 /nfs/dbraw/zinc/16/97/93/500169793.db2.gz RRTLOHXYWOFBFL-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CCC[N@@H+](Cc1cc(C)nn1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417777583 500169795 /nfs/dbraw/zinc/16/97/95/500169795.db2.gz RRTLOHXYWOFBFL-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416983946 500175120 /nfs/dbraw/zinc/17/51/20/500175120.db2.gz GJTZTCVTGLQGLL-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000417852269 500184190 /nfs/dbraw/zinc/18/41/90/500184190.db2.gz GZLAOXUEYSPXMA-HUUCEWRRSA-N 2 1 355.486 3.011 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000417854005 500184234 /nfs/dbraw/zinc/18/42/34/500184234.db2.gz JGEFVVRVEVBEJV-MRXNPFEDSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000417855835 500185137 /nfs/dbraw/zinc/18/51/37/500185137.db2.gz LXIPSVAAAAILKD-NVXWUHKLSA-N 2 1 355.486 3.012 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])cc1 ZINC000417857280 500185377 /nfs/dbraw/zinc/18/53/77/500185377.db2.gz NUKWLFGBBFVQGJ-YZVOILCLSA-N 2 1 355.486 3.011 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000422004623 500195675 /nfs/dbraw/zinc/19/56/75/500195675.db2.gz GZYVRDHUXBBXID-QHGAOEGBSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417998102 500211815 /nfs/dbraw/zinc/21/18/15/500211815.db2.gz HYORHPIJCMOAFL-JKSUJKDBSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417998102 500211817 /nfs/dbraw/zinc/21/18/17/500211817.db2.gz HYORHPIJCMOAFL-JKSUJKDBSA-N 2 1 370.900 3.039 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425950064 500215787 /nfs/dbraw/zinc/21/57/87/500215787.db2.gz IRIVXZBTDZGXCO-BHIFYINESA-N 2 1 372.553 3.320 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163603 500240267 /nfs/dbraw/zinc/24/02/67/500240267.db2.gz DRMJMVYGZVQVAT-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000418164487 500240296 /nfs/dbraw/zinc/24/02/96/500240296.db2.gz WYVVDSXGJOPBNS-MISYRCLQSA-N 2 1 372.557 3.056 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175461 500243040 /nfs/dbraw/zinc/24/30/40/500243040.db2.gz FWXHRCWCAMTOOZ-QAPCUYQASA-N 2 1 366.937 3.022 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000418192426 500246932 /nfs/dbraw/zinc/24/69/32/500246932.db2.gz YRBXTEAUXYKWML-ZTFGCOKTSA-N 2 1 366.937 3.102 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000582314781 506184705 /nfs/dbraw/zinc/18/47/05/506184705.db2.gz NVKKUEJZDDFIOJ-KBXCAEBGSA-N 2 1 369.431 3.450 20 0 FGADMP CCCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000418227716 500252839 /nfs/dbraw/zinc/25/28/39/500252839.db2.gz AMPSGUQIPPEUNE-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418228821 500253062 /nfs/dbraw/zinc/25/30/62/500253062.db2.gz BWOXYWRFBJECPK-LJQANCHMSA-N 2 1 360.546 3.105 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418228819 500253165 /nfs/dbraw/zinc/25/31/65/500253165.db2.gz BWOXYWRFBJECPK-IBGZPJMESA-N 2 1 360.546 3.105 20 0 FGADMP Cc1cc(-c2noc([C@@H](C)[NH+]3CCC(OCCC[NH3+])CC3)n2)ccc1F ZINC000430564391 500255156 /nfs/dbraw/zinc/25/51/56/500255156.db2.gz ZSBYIDBSYIVPMD-CQSZACIVSA-N 2 1 362.449 3.075 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574371 500256628 /nfs/dbraw/zinc/25/66/28/500256628.db2.gz SFXSOJXBSSUBNP-GUYCJALGSA-N 2 1 357.901 3.131 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574371 500256629 /nfs/dbraw/zinc/25/66/29/500256629.db2.gz SFXSOJXBSSUBNP-GUYCJALGSA-N 2 1 357.901 3.131 20 0 FGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1ccc(Cl)cc1F ZINC000430577304 500257267 /nfs/dbraw/zinc/25/72/67/500257267.db2.gz XIQZEFZGFIOVSW-UHFFFAOYSA-N 2 1 353.869 3.272 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418298929 500260194 /nfs/dbraw/zinc/26/01/94/500260194.db2.gz RBAFAVMKPVIZPG-QUCCMNQESA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418311197 500260437 /nfs/dbraw/zinc/26/04/37/500260437.db2.gz LMRCANDHKNZKRF-YXYSEUPNSA-N 2 1 372.557 3.069 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CC12CCCC2 ZINC000430673494 500268509 /nfs/dbraw/zinc/26/85/09/500268509.db2.gz DBNOPHLNFKPORM-HXUWFJFHSA-N 2 1 361.574 3.221 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413485 500270832 /nfs/dbraw/zinc/27/08/32/500270832.db2.gz WWDUZCUOTOCZRG-FXAWDEMLSA-N 2 1 355.526 3.393 20 0 FGADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2s1 ZINC000426422820 500271160 /nfs/dbraw/zinc/27/11/60/500271160.db2.gz YCCSFSBOQXDYSX-BEFAXECRSA-N 2 1 358.555 3.063 20 0 FGADMP Cc1nc2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2s1 ZINC000426422820 500271163 /nfs/dbraw/zinc/27/11/63/500271163.db2.gz YCCSFSBOQXDYSX-BEFAXECRSA-N 2 1 358.555 3.063 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1)CC(C)C ZINC000418426053 500274600 /nfs/dbraw/zinc/27/46/00/500274600.db2.gz JEBNXMZHGKQUTN-NRFANRHFSA-N 2 1 374.573 3.476 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418426732 500275272 /nfs/dbraw/zinc/27/52/72/500275272.db2.gz MNEMAXVEDPAFKJ-UXHICEINSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418429867 500275458 /nfs/dbraw/zinc/27/54/58/500275458.db2.gz SUHUNQSBIUUVIT-FQEVSTJZSA-N 2 1 372.557 3.058 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482516 500282122 /nfs/dbraw/zinc/28/21/22/500282122.db2.gz FBTWXGLEMKFHDN-NDXORKPFSA-N 2 1 368.525 3.354 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422703499 500288030 /nfs/dbraw/zinc/28/80/30/500288030.db2.gz HWJWRMODJUJYTG-JSGCOSHPSA-N 2 1 361.287 3.186 20 0 FGADMP C[C@@H](CC[NH3+])NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418554938 500290804 /nfs/dbraw/zinc/29/08/04/500290804.db2.gz NHPZVGDYWULHDG-IBGZPJMESA-N 2 1 368.525 3.068 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000422781149 500296751 /nfs/dbraw/zinc/29/67/51/500296751.db2.gz DTSZGGWELQQDMO-CRAIPNDOSA-N 2 1 358.530 3.079 20 0 FGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802659 500299455 /nfs/dbraw/zinc/29/94/55/500299455.db2.gz HTNKYUIAFHQWSD-DNVJHFABSA-N 2 1 371.569 3.165 20 0 FGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000422836814 500304472 /nfs/dbraw/zinc/30/44/72/500304472.db2.gz SEOCKDPBRRIZEI-HOTGVXAUSA-N 2 1 350.388 3.059 20 0 FGADMP C[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000418671034 500305225 /nfs/dbraw/zinc/30/52/25/500305225.db2.gz LEJGSCGJDYMSAH-LEWJYISDSA-N 2 1 366.509 3.165 20 0 FGADMP C[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000418671034 500305228 /nfs/dbraw/zinc/30/52/28/500305228.db2.gz LEJGSCGJDYMSAH-LEWJYISDSA-N 2 1 366.509 3.165 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924799 500307812 /nfs/dbraw/zinc/30/78/12/500307812.db2.gz JOBYCVKQWRLZGF-NQIIRXRSSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1Cl ZINC000426723044 500311139 /nfs/dbraw/zinc/31/11/39/500311139.db2.gz KISVJMCEQFZQBZ-GFCCVEGCSA-N 2 1 370.324 3.387 20 0 FGADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892873 500311570 /nfs/dbraw/zinc/31/15/70/500311570.db2.gz NZWFDQWLUXIRRP-SJBKTWHCSA-N 2 1 357.542 3.342 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422904702 500314032 /nfs/dbraw/zinc/31/40/32/500314032.db2.gz XYAFVGQQOPQCJP-MORSLUCNSA-N 2 1 366.383 3.180 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000418744916 500316663 /nfs/dbraw/zinc/31/66/63/500316663.db2.gz FTZNDZOXMKZBKR-NRFANRHFSA-N 2 1 372.557 3.169 20 0 FGADMP CC[C@@H]([NH2+]CCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CCC[NH2+]1 ZINC000422953052 500323473 /nfs/dbraw/zinc/32/34/73/500323473.db2.gz CVBIZPFIQISMAP-CABCVRRESA-N 2 1 368.319 3.206 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000422990736 500327934 /nfs/dbraw/zinc/32/79/34/500327934.db2.gz OPGNTUYBZJULIA-KBRIMQKVSA-N 2 1 355.320 3.383 20 0 FGADMP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423014392 500331048 /nfs/dbraw/zinc/33/10/48/500331048.db2.gz IIDCXKHMGRRVQY-ZJOUEHCJSA-N 2 1 374.431 3.498 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000431070434 500331324 /nfs/dbraw/zinc/33/13/24/500331324.db2.gz KZQAEDJXIWXSHO-QGZVFWFLSA-N 2 1 353.510 3.481 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000431070434 500331325 /nfs/dbraw/zinc/33/13/25/500331325.db2.gz KZQAEDJXIWXSHO-QGZVFWFLSA-N 2 1 353.510 3.481 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000423039257 500334326 /nfs/dbraw/zinc/33/43/26/500334326.db2.gz FFRWYGNJTIHVRD-LZLYRXPVSA-N 2 1 356.514 3.440 20 0 FGADMP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051038 500335748 /nfs/dbraw/zinc/33/57/48/500335748.db2.gz ZOMYQKVSCIBFDZ-KQKOIIKASA-N 2 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051038 500335750 /nfs/dbraw/zinc/33/57/50/500335750.db2.gz ZOMYQKVSCIBFDZ-KQKOIIKASA-N 3 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051038 500335751 /nfs/dbraw/zinc/33/57/51/500335751.db2.gz ZOMYQKVSCIBFDZ-KQKOIIKASA-N 3 1 369.553 3.485 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423060406 500336849 /nfs/dbraw/zinc/33/68/49/500336849.db2.gz IBHHNNMQIJHAAE-KSFYIVLOSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423060406 500336851 /nfs/dbraw/zinc/33/68/51/500336851.db2.gz IBHHNNMQIJHAAE-KSFYIVLOSA-N 2 1 352.526 3.410 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423087750 500340412 /nfs/dbraw/zinc/34/04/12/500340412.db2.gz QGJBDAWMBAODSX-NUUXYWTLSA-N 2 1 359.480 3.302 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@H]1CCCC[NH2+]1 ZINC000423158742 500350187 /nfs/dbraw/zinc/35/01/87/500350187.db2.gz XDYNSIKSKMGUNH-JCKWVBRZSA-N 2 1 360.452 3.263 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182897 500352843 /nfs/dbraw/zinc/35/28/43/500352843.db2.gz LYRYSAUJCVATPJ-KDOFPFPSSA-N 2 1 366.347 3.001 20 0 FGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc(N2CCCC2=O)c1 ZINC000423192517 500354222 /nfs/dbraw/zinc/35/42/22/500354222.db2.gz VQEQOQBTCIXDGV-KRWDZBQOSA-N 2 1 352.482 3.039 20 0 FGADMP Brc1cccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423236890 500357526 /nfs/dbraw/zinc/35/75/26/500357526.db2.gz OZSOLMDVOOLYLV-SJORKVTESA-N 2 1 353.304 3.258 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@H](C)[C@H]1C ZINC000419378548 500359450 /nfs/dbraw/zinc/35/94/50/500359450.db2.gz VUNAFDSGINCCRM-FCGDIQPGSA-N 2 1 357.542 3.132 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000427152499 500359981 /nfs/dbraw/zinc/35/99/81/500359981.db2.gz KEMIVMLDPKVOPG-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000423317906 500364082 /nfs/dbraw/zinc/36/40/82/500364082.db2.gz BFHRQWUKUXDLEF-RTWAWAEBSA-N 2 1 358.526 3.470 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000427226826 500370730 /nfs/dbraw/zinc/37/07/30/500370730.db2.gz JNNQZVJXVWAQFG-UHFFFAOYSA-N 2 1 365.428 3.009 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427286949 500377784 /nfs/dbraw/zinc/37/77/84/500377784.db2.gz IAZVHJUOARWNPX-CTNGQTDRSA-N 2 1 357.542 3.137 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1NC(C)=O ZINC000423524723 500382421 /nfs/dbraw/zinc/38/24/21/500382421.db2.gz JYIQPZJZPCUFGD-JKRDBQBOSA-N 2 1 371.525 3.458 20 0 FGADMP COc1ccc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000423579070 500386100 /nfs/dbraw/zinc/38/61/00/500386100.db2.gz VQIXEQHWDGMVNS-QGZVFWFLSA-N 2 1 371.500 3.478 20 0 FGADMP Cc1c([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000423573580 500386138 /nfs/dbraw/zinc/38/61/38/500386138.db2.gz OVRWTBAMGYAEFG-SFHVURJKSA-N 2 1 369.557 3.417 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000431571918 500393538 /nfs/dbraw/zinc/39/35/38/500393538.db2.gz UJFBPJXHXDJKDX-LJQANCHMSA-N 2 1 371.569 3.308 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000431571918 500393539 /nfs/dbraw/zinc/39/35/39/500393539.db2.gz UJFBPJXHXDJKDX-LJQANCHMSA-N 2 1 371.569 3.308 20 0 FGADMP COc1cccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000431655078 500403570 /nfs/dbraw/zinc/40/35/70/500403570.db2.gz WGZZQMFTDMQPJQ-PZJWPPBQSA-N 2 1 373.541 3.213 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423838653 500409861 /nfs/dbraw/zinc/40/98/61/500409861.db2.gz XSWJJHGMQBLLBI-VQTJNVASSA-N 2 1 371.912 3.277 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000423838653 500409863 /nfs/dbraw/zinc/40/98/63/500409863.db2.gz XSWJJHGMQBLLBI-VQTJNVASSA-N 2 1 371.912 3.277 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000427598038 500410206 /nfs/dbraw/zinc/41/02/06/500410206.db2.gz AUMSTUHIVSQCAA-DYESRHJHSA-N 2 1 351.494 3.046 20 0 FGADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914463 500418834 /nfs/dbraw/zinc/41/88/34/500418834.db2.gz XXGGPQXHVAPLRY-WOJBJXKFSA-N 2 1 355.526 3.161 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)[nH+]1 ZINC000431787371 500425163 /nfs/dbraw/zinc/42/51/63/500425163.db2.gz VRBKXXVZQCQIIL-HXUWFJFHSA-N 2 1 370.541 3.272 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)[nH+]1 ZINC000431787371 500425164 /nfs/dbraw/zinc/42/51/64/500425164.db2.gz VRBKXXVZQCQIIL-HXUWFJFHSA-N 2 1 370.541 3.272 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431830263 500430268 /nfs/dbraw/zinc/43/02/68/500430268.db2.gz JHKPEYRKIMGKRU-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000424003510 500433385 /nfs/dbraw/zinc/43/33/85/500433385.db2.gz RGXPLBMXJTYWKL-XMSQKQJNSA-N 2 1 365.521 3.376 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431852935 500434533 /nfs/dbraw/zinc/43/45/33/500434533.db2.gz CEIJEPHYIODHLW-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431852935 500434535 /nfs/dbraw/zinc/43/45/35/500434535.db2.gz CEIJEPHYIODHLW-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431852935 500434537 /nfs/dbraw/zinc/43/45/37/500434537.db2.gz CEIJEPHYIODHLW-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000420296603 500435634 /nfs/dbraw/zinc/43/56/34/500435634.db2.gz XGABAMFFUSTWGX-BLLLJJGKSA-N 2 1 361.287 3.075 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000420296603 500435637 /nfs/dbraw/zinc/43/56/37/500435637.db2.gz XGABAMFFUSTWGX-BLLLJJGKSA-N 2 1 361.287 3.075 20 0 FGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420298447 500436995 /nfs/dbraw/zinc/43/69/95/500436995.db2.gz FHPJSNASLZWZOT-QFIPXVFZSA-N 2 1 353.510 3.245 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420305639 500438565 /nfs/dbraw/zinc/43/85/65/500438565.db2.gz GURLKGMUQNZFNK-UKRRQHHQSA-N 2 1 357.454 3.023 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420305639 500438567 /nfs/dbraw/zinc/43/85/67/500438567.db2.gz GURLKGMUQNZFNK-UKRRQHHQSA-N 2 1 357.454 3.023 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420311471 500439248 /nfs/dbraw/zinc/43/92/48/500439248.db2.gz HCIQXLCTFJYJFO-GUXCAODWSA-N 2 1 353.466 3.044 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000420311471 500439251 /nfs/dbraw/zinc/43/92/51/500439251.db2.gz HCIQXLCTFJYJFO-GUXCAODWSA-N 2 1 353.466 3.044 20 0 FGADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420323437 500441704 /nfs/dbraw/zinc/44/17/04/500441704.db2.gz UGPZMZGMPYMQTG-GOSISDBHSA-N 2 1 358.482 3.277 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323901 500441781 /nfs/dbraw/zinc/44/17/81/500441781.db2.gz UOSQXGXLYAYHCZ-UNMCSNQZSA-N 2 1 354.494 3.419 20 0 FGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328392 500442844 /nfs/dbraw/zinc/44/28/44/500442844.db2.gz MJHTXSGDJJKYEW-HIFRSBDPSA-N 2 1 353.304 3.197 20 0 FGADMP Brc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420332755 500443341 /nfs/dbraw/zinc/44/33/41/500443341.db2.gz SHWYTTIWRBSKMY-LSDHHAIUSA-N 2 1 353.304 3.149 20 0 FGADMP CC[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000424048721 500443518 /nfs/dbraw/zinc/44/35/18/500443518.db2.gz ZICCUKFOFKLSKX-WOJBJXKFSA-N 2 1 357.542 3.134 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000431926191 500444214 /nfs/dbraw/zinc/44/42/14/500444214.db2.gz VJIUXNURPYEVIT-SFTDATJTSA-N 2 1 359.558 3.320 20 0 FGADMP CC(C)(C)C[C@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000420355955 500447190 /nfs/dbraw/zinc/44/71/90/500447190.db2.gz FTQOTAWPQQKEGU-ROUUACIJSA-N 2 1 363.521 3.397 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000431983957 500451744 /nfs/dbraw/zinc/45/17/44/500451744.db2.gz WDZLTFPVJIMBKZ-AABGKKOBSA-N 2 1 366.594 3.307 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C1 ZINC000420395890 500454850 /nfs/dbraw/zinc/45/48/50/500454850.db2.gz UUAHFZSJWNOWHE-MAUKXSAKSA-N 2 1 359.445 3.199 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034275 500460797 /nfs/dbraw/zinc/46/07/97/500460797.db2.gz NUVOCRATDJGJLE-DYESRHJHSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034275 500460800 /nfs/dbraw/zinc/46/08/00/500460800.db2.gz NUVOCRATDJGJLE-DYESRHJHSA-N 2 1 365.477 3.491 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000424295059 500482205 /nfs/dbraw/zinc/48/22/05/500482205.db2.gz QOOGEMULUASODL-SFHVURJKSA-N 2 1 371.569 3.107 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292127 500482468 /nfs/dbraw/zinc/48/24/68/500482468.db2.gz OCRPFMINDWNQRU-MSOLQXFVSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nn(-c3ccccc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424301149 500483079 /nfs/dbraw/zinc/48/30/79/500483079.db2.gz XFHKTDYTDLVJTI-QGZVFWFLSA-N 2 1 350.510 3.325 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424297516 500483204 /nfs/dbraw/zinc/48/32/04/500483204.db2.gz SUSXLQOTKLDLQI-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(SC)cc1OC ZINC000424380504 500494186 /nfs/dbraw/zinc/49/41/86/500494186.db2.gz PSIKRTMCHOXLCJ-AWEZNQCLSA-N 2 1 350.528 3.390 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[NH+]3C)cc2)C1 ZINC000420782085 500500063 /nfs/dbraw/zinc/50/00/63/500500063.db2.gz QHTWQNCPNPUCSR-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)C1 ZINC000420782085 500500067 /nfs/dbraw/zinc/50/00/67/500500067.db2.gz QHTWQNCPNPUCSR-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)C1 ZINC000420782085 500500070 /nfs/dbraw/zinc/50/00/70/500500070.db2.gz QHTWQNCPNPUCSR-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580080 506199378 /nfs/dbraw/zinc/19/93/78/506199378.db2.gz LKFBKWYBYQIZPL-PGRDOPGGSA-N 2 1 365.521 3.356 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(Cl)c1OC ZINC000432347702 500502096 /nfs/dbraw/zinc/50/20/96/500502096.db2.gz OKRWZJREGXKQPG-HNNXBMFYSA-N 2 1 370.921 3.338 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(Cl)c1OC ZINC000432347702 500502098 /nfs/dbraw/zinc/50/20/98/500502098.db2.gz OKRWZJREGXKQPG-HNNXBMFYSA-N 2 1 370.921 3.338 20 0 FGADMP COc1ccc(Br)cc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432349818 500502934 /nfs/dbraw/zinc/50/29/34/500502934.db2.gz XCRCIERWVVQBJX-AWEZNQCLSA-N 2 1 371.319 3.048 20 0 FGADMP C[C@@H]1C[N@@H+](CCCNCc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349108 500502954 /nfs/dbraw/zinc/50/29/54/500502954.db2.gz VYBIXNUAFARXLE-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@@H]1CN(CCC[NH2+]Cc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349108 500502957 /nfs/dbraw/zinc/50/29/57/500502957.db2.gz VYBIXNUAFARXLE-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349108 500502959 /nfs/dbraw/zinc/50/29/59/500502959.db2.gz VYBIXNUAFARXLE-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349108 500502963 /nfs/dbraw/zinc/50/29/63/500502963.db2.gz VYBIXNUAFARXLE-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP c1ccc(N[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420938179 500535906 /nfs/dbraw/zinc/53/59/06/500535906.db2.gz PDBDABDJAOEHAS-JOCHJYFZSA-N 2 1 351.494 3.205 20 0 FGADMP c1ccc(N[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420938179 500535907 /nfs/dbraw/zinc/53/59/07/500535907.db2.gz PDBDABDJAOEHAS-JOCHJYFZSA-N 2 1 351.494 3.205 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984870 500548792 /nfs/dbraw/zinc/54/87/92/500548792.db2.gz UYUZTEGFIMYTRS-TZIWHRDSSA-N 2 1 351.579 3.074 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432797072 500565534 /nfs/dbraw/zinc/56/55/34/500565534.db2.gz KDKZGWOCPMXEEH-HNNXBMFYSA-N 2 1 360.454 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000432797072 500565535 /nfs/dbraw/zinc/56/55/35/500565535.db2.gz KDKZGWOCPMXEEH-HNNXBMFYSA-N 2 1 360.454 3.144 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513861 500615114 /nfs/dbraw/zinc/61/51/14/500615114.db2.gz ZLRISHPPEOAFOT-UWJYYQICSA-N 2 1 351.494 3.189 20 0 FGADMP C[NH+](C)CCOCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000447594757 500631435 /nfs/dbraw/zinc/63/14/35/500631435.db2.gz IDAKNOVLKCDFRH-QGZVFWFLSA-N 2 1 367.287 3.299 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1(C)C ZINC000442866858 500636505 /nfs/dbraw/zinc/63/65/05/500636505.db2.gz JJJSQIHCELIFHE-QGZVFWFLSA-N 2 1 351.922 3.169 20 0 FGADMP Cc1cc([C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2cccnc2)ccc1F ZINC000442872637 500637861 /nfs/dbraw/zinc/63/78/61/500637861.db2.gz JXBPIWROWIIWHO-NRFANRHFSA-N 2 1 370.516 3.234 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000442875960 500638167 /nfs/dbraw/zinc/63/81/67/500638167.db2.gz XGIWSRMMPWSZFL-MRXNPFEDSA-N 2 1 358.555 3.487 20 0 FGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724780 500653744 /nfs/dbraw/zinc/65/37/44/500653744.db2.gz YHJFCIGMXAAOTC-MOPGFXCFSA-N 2 1 357.498 3.417 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570849 500661861 /nfs/dbraw/zinc/66/18/61/500661861.db2.gz RDKIOPZXAMHJDJ-WBAXXEDZSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570849 500661862 /nfs/dbraw/zinc/66/18/62/500661862.db2.gz RDKIOPZXAMHJDJ-WBAXXEDZSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570849 500661863 /nfs/dbraw/zinc/66/18/63/500661863.db2.gz RDKIOPZXAMHJDJ-WBAXXEDZSA-N 2 1 358.448 3.413 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575777 500663149 /nfs/dbraw/zinc/66/31/49/500663149.db2.gz BGMBAAOITOSVFS-MJGOQNOKSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575777 500663152 /nfs/dbraw/zinc/66/31/52/500663152.db2.gz BGMBAAOITOSVFS-MJGOQNOKSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575777 500663155 /nfs/dbraw/zinc/66/31/55/500663155.db2.gz BGMBAAOITOSVFS-MJGOQNOKSA-N 2 1 370.459 3.273 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443057758 500670355 /nfs/dbraw/zinc/67/03/55/500670355.db2.gz LDENMZYTPDFOAW-DYESRHJHSA-N 2 1 371.550 3.405 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000433322770 500672289 /nfs/dbraw/zinc/67/22/89/500672289.db2.gz ZAQGJEMMKKSMNZ-HXUWFJFHSA-N 2 1 359.514 3.363 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000443073241 500675132 /nfs/dbraw/zinc/67/51/32/500675132.db2.gz PFKHANPVABFPNY-FQEVSTJZSA-N 2 1 351.494 3.281 20 0 FGADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1Br ZINC000447944130 500694119 /nfs/dbraw/zinc/69/41/19/500694119.db2.gz ZHVWNHBRAFEAGL-OKILXGFUSA-N 2 1 371.367 3.339 20 0 FGADMP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808958 500699996 /nfs/dbraw/zinc/69/99/96/500699996.db2.gz HEHYTTIUWVWDLN-SJLPKXTDSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@H+]1C1CC1 ZINC000443275573 500703046 /nfs/dbraw/zinc/70/30/46/500703046.db2.gz PVJFGJMJYSSFJJ-JBYGMCGMSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275573 500703048 /nfs/dbraw/zinc/70/30/48/500703048.db2.gz PVJFGJMJYSSFJJ-JBYGMCGMSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275573 500703051 /nfs/dbraw/zinc/70/30/51/500703051.db2.gz PVJFGJMJYSSFJJ-JBYGMCGMSA-N 2 1 367.537 3.030 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000447993110 500703085 /nfs/dbraw/zinc/70/30/85/500703085.db2.gz YLJZHBSRJNTUDQ-LJQANCHMSA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437835645 500703700 /nfs/dbraw/zinc/70/37/00/500703700.db2.gz BFKWOFQMORXFLX-IBGZPJMESA-N 2 1 373.541 3.154 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235574 500737173 /nfs/dbraw/zinc/73/71/73/500737173.db2.gz YUQMQFADIXRUHY-UTKZUKDTSA-N 2 1 367.493 3.436 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438327297 500770280 /nfs/dbraw/zinc/77/02/80/500770280.db2.gz LNUFYWKQQPZGQZ-QUCCMNQESA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327297 500770281 /nfs/dbraw/zinc/77/02/81/500770281.db2.gz LNUFYWKQQPZGQZ-QUCCMNQESA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327297 500770284 /nfs/dbraw/zinc/77/02/84/500770284.db2.gz LNUFYWKQQPZGQZ-QUCCMNQESA-N 2 1 364.578 3.299 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433962123 500772933 /nfs/dbraw/zinc/77/29/33/500772933.db2.gz MJJNQHJDQQTSMB-HXUWFJFHSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000433962122 500772971 /nfs/dbraw/zinc/77/29/71/500772971.db2.gz MJJNQHJDQQTSMB-FQEVSTJZSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664868 506219698 /nfs/dbraw/zinc/21/96/98/506219698.db2.gz LJPKKGIINCOKLR-DXIQSLLYSA-N 2 1 371.569 3.271 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449037124 500907662 /nfs/dbraw/zinc/90/76/62/500907662.db2.gz MJRBWXMGNKYERY-AVRDEDQJSA-N 2 1 367.537 3.306 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044750 500910131 /nfs/dbraw/zinc/91/01/31/500910131.db2.gz FMYRZOZXBVMTKI-LPHOPBHVSA-N 2 1 363.933 3.093 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044750 500910133 /nfs/dbraw/zinc/91/01/33/500910133.db2.gz FMYRZOZXBVMTKI-LPHOPBHVSA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044750 500910136 /nfs/dbraw/zinc/91/01/36/500910136.db2.gz FMYRZOZXBVMTKI-LPHOPBHVSA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044750 500910138 /nfs/dbraw/zinc/91/01/38/500910138.db2.gz FMYRZOZXBVMTKI-LPHOPBHVSA-N 2 1 363.933 3.093 20 0 FGADMP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000439596822 500917663 /nfs/dbraw/zinc/91/76/63/500917663.db2.gz OJARSVLYTZDYDJ-QGZVFWFLSA-N 2 1 357.498 3.258 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449095875 500924304 /nfs/dbraw/zinc/92/43/04/500924304.db2.gz CEILHYIKIGIGOQ-MHORFTMASA-N 2 1 366.571 3.150 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449095875 500924307 /nfs/dbraw/zinc/92/43/07/500924307.db2.gz CEILHYIKIGIGOQ-MHORFTMASA-N 2 1 366.571 3.150 20 0 FGADMP C[C@@H](C[NH2+]CC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449103698 500925951 /nfs/dbraw/zinc/92/59/51/500925951.db2.gz RRYFLQSHWQXSNK-INIZCTEOSA-N 2 1 352.544 3.048 20 0 FGADMP C[C@@H](C[NH2+]CC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449103698 500925953 /nfs/dbraw/zinc/92/59/53/500925953.db2.gz RRYFLQSHWQXSNK-INIZCTEOSA-N 2 1 352.544 3.048 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000607686994 506225293 /nfs/dbraw/zinc/22/52/93/506225293.db2.gz PPZPKNTXTLLKAF-RBUKOAKNSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000607686994 506225300 /nfs/dbraw/zinc/22/53/00/506225300.db2.gz PPZPKNTXTLLKAF-RBUKOAKNSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000607686994 506225302 /nfs/dbraw/zinc/22/53/02/506225302.db2.gz PPZPKNTXTLLKAF-RBUKOAKNSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCCO)CC1 ZINC000449173126 500940551 /nfs/dbraw/zinc/94/05/51/500940551.db2.gz WNHLBRJNPWHMGQ-LJQANCHMSA-N 2 1 368.521 3.243 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449193547 500944804 /nfs/dbraw/zinc/94/48/04/500944804.db2.gz RCSXUIWDQZFESZ-OAHLLOKOSA-N 2 1 369.490 3.435 20 0 FGADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195893 500945950 /nfs/dbraw/zinc/94/59/50/500945950.db2.gz WTPCWBMUJVJXIX-SJORKVTESA-N 2 1 371.294 3.056 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C)CC1 ZINC000449243199 500956233 /nfs/dbraw/zinc/95/62/33/500956233.db2.gz IXOZHSJPLSNQJK-OAQYLSRUSA-N 2 1 370.578 3.348 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449255440 500958803 /nfs/dbraw/zinc/95/88/03/500958803.db2.gz DJDKWTHWFNYJPS-SJORKVTESA-N 2 1 352.544 3.048 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@H]12 ZINC000435379307 500963773 /nfs/dbraw/zinc/96/37/73/500963773.db2.gz LZMXTPUUJGYJNO-YSIASYRMSA-N 2 1 350.510 3.394 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435389028 500965911 /nfs/dbraw/zinc/96/59/11/500965911.db2.gz KIGMFVASVNMKGC-SOUVJXGZSA-N 2 1 358.404 3.196 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(CCc3ccccc3)s2)CC1(C)C ZINC000449305293 500971921 /nfs/dbraw/zinc/97/19/21/500971921.db2.gz ROXITOCBCSEYTP-UHFFFAOYSA-N 2 1 372.582 3.044 20 0 FGADMP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435437531 500976863 /nfs/dbraw/zinc/97/68/63/500976863.db2.gz LGYSHFRNIPEMJA-MRXNPFEDSA-N 2 1 363.303 3.209 20 0 FGADMP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435437531 500976866 /nfs/dbraw/zinc/97/68/66/500976866.db2.gz LGYSHFRNIPEMJA-MRXNPFEDSA-N 2 1 363.303 3.209 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440168732 500983455 /nfs/dbraw/zinc/98/34/55/500983455.db2.gz KTSKKXOIMCHJQI-OAQYLSRUSA-N 2 1 355.526 3.306 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165713 500983577 /nfs/dbraw/zinc/98/35/77/500983577.db2.gz UXHINKHLIFYTMY-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165713 500983578 /nfs/dbraw/zinc/98/35/78/500983578.db2.gz UXHINKHLIFYTMY-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP COC(=O)[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611606863 506228401 /nfs/dbraw/zinc/22/84/01/506228401.db2.gz XQGURFDPYDWVSU-HXUWFJFHSA-N 2 1 360.498 3.079 20 0 FGADMP COC(=O)[C@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611606863 506228408 /nfs/dbraw/zinc/22/84/08/506228408.db2.gz XQGURFDPYDWVSU-HXUWFJFHSA-N 2 1 360.498 3.079 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@H]2CCCC[N@H+]2CCO)CC1 ZINC000449398588 500993966 /nfs/dbraw/zinc/99/39/66/500993966.db2.gz VUERYVODCPMBPX-LJQANCHMSA-N 2 1 353.595 3.102 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000449398588 500993970 /nfs/dbraw/zinc/99/39/70/500993970.db2.gz VUERYVODCPMBPX-LJQANCHMSA-N 2 1 353.595 3.102 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000440323904 500996247 /nfs/dbraw/zinc/99/62/47/500996247.db2.gz DXAPELDWOVHGJM-VQIMIIECSA-N 2 1 374.554 3.432 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000440323904 500996249 /nfs/dbraw/zinc/99/62/49/500996249.db2.gz DXAPELDWOVHGJM-VQIMIIECSA-N 2 1 374.554 3.432 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611710 501001642 /nfs/dbraw/zinc/00/16/42/501001642.db2.gz CDDDOEBPMUXWAM-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611710 501001644 /nfs/dbraw/zinc/00/16/44/501001644.db2.gz CDDDOEBPMUXWAM-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP O=C(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1ccccc1F ZINC000435614170 501002379 /nfs/dbraw/zinc/00/23/79/501002379.db2.gz DRSNDOSVNCIZGU-SFHVURJKSA-N 2 1 370.472 3.194 20 0 FGADMP O=C(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1ccccc1F ZINC000435614170 501002382 /nfs/dbraw/zinc/00/23/82/501002382.db2.gz DRSNDOSVNCIZGU-SFHVURJKSA-N 2 1 370.472 3.194 20 0 FGADMP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500685 501019166 /nfs/dbraw/zinc/01/91/66/501019166.db2.gz NDSRULFYPWQHQW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500685 501019167 /nfs/dbraw/zinc/01/91/67/501019167.db2.gz NDSRULFYPWQHQW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500685 501019169 /nfs/dbraw/zinc/01/91/69/501019169.db2.gz NDSRULFYPWQHQW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500685 501019172 /nfs/dbraw/zinc/01/91/72/501019172.db2.gz NDSRULFYPWQHQW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538762 501021086 /nfs/dbraw/zinc/02/10/86/501021086.db2.gz RPOMDJASFIBYIM-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538762 501021089 /nfs/dbraw/zinc/02/10/89/501021089.db2.gz RPOMDJASFIBYIM-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538762 501021091 /nfs/dbraw/zinc/02/10/91/501021091.db2.gz RPOMDJASFIBYIM-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 ZINC000449548278 501030298 /nfs/dbraw/zinc/03/02/98/501030298.db2.gz MFVULIAASJUEHV-MRXNPFEDSA-N 2 1 360.452 3.217 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000449578694 501036587 /nfs/dbraw/zinc/03/65/87/501036587.db2.gz QCVICRLKVVLWTD-DXIQSLLYSA-N 2 1 371.569 3.367 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000449578847 501036662 /nfs/dbraw/zinc/03/66/62/501036662.db2.gz SCJVJHLGNYRXJT-XQBPLPMBSA-N 2 1 371.569 3.367 20 0 FGADMP Cn1nccc1[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449582001 501037335 /nfs/dbraw/zinc/03/73/35/501037335.db2.gz DAYPHODWHFEADI-PZJWPPBQSA-N 2 1 370.541 3.388 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449586669 501038876 /nfs/dbraw/zinc/03/88/76/501038876.db2.gz GMCKTACZPSGGKE-RYTRXMBJSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449588933 501039198 /nfs/dbraw/zinc/03/91/98/501039198.db2.gz JHQKELRBXTZFFZ-RPUPUWCGSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449588933 501039201 /nfs/dbraw/zinc/03/92/01/501039201.db2.gz JHQKELRBXTZFFZ-RPUPUWCGSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445851231 501040883 /nfs/dbraw/zinc/04/08/83/501040883.db2.gz BKVIKXHXJOINLN-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000441276332 501112780 /nfs/dbraw/zinc/11/27/80/501112780.db2.gz HIOVKFCIONKMDJ-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000441276332 501112784 /nfs/dbraw/zinc/11/27/84/501112784.db2.gz HIOVKFCIONKMDJ-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CC1 ZINC000441276332 501112785 /nfs/dbraw/zinc/11/27/85/501112785.db2.gz HIOVKFCIONKMDJ-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000441382161 501130808 /nfs/dbraw/zinc/13/08/08/501130808.db2.gz NKEROCDJCOCAJY-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1(C)C ZINC000441377363 501130934 /nfs/dbraw/zinc/13/09/34/501130934.db2.gz GIRVVSZKPHGCBQ-UHFFFAOYSA-N 2 1 374.754 3.218 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000450531975 501146798 /nfs/dbraw/zinc/14/67/98/501146798.db2.gz VSZKBQFGOXXJLP-IAGOWNOFSA-N 2 1 355.482 3.321 20 0 FGADMP C[C@H]1CCC[C@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450119315 501185719 /nfs/dbraw/zinc/18/57/19/501185719.db2.gz POLZADZOMKAEGP-AVRDEDQJSA-N 2 1 363.590 3.467 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450763573 501203742 /nfs/dbraw/zinc/20/37/42/501203742.db2.gz UEDSHYBUYZJFQM-ICSRJNTNSA-N 2 1 366.571 3.470 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)nc1 ZINC000450785549 501208864 /nfs/dbraw/zinc/20/88/64/501208864.db2.gz OBDOQOGSSHGHAM-GOSISDBHSA-N 2 1 368.481 3.089 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)nc1 ZINC000450785549 501208866 /nfs/dbraw/zinc/20/88/66/501208866.db2.gz OBDOQOGSSHGHAM-GOSISDBHSA-N 2 1 368.481 3.089 20 0 FGADMP OCC[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000450801238 501211260 /nfs/dbraw/zinc/21/12/60/501211260.db2.gz YXCUPDRKLAMNQU-WOJBJXKFSA-N 2 1 366.933 3.034 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)s1 ZINC000453251126 501299016 /nfs/dbraw/zinc/29/90/16/501299016.db2.gz LCQQHDNVQNXGQY-GUDVDZBRSA-N 2 1 356.539 3.422 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)s1 ZINC000453251128 501299414 /nfs/dbraw/zinc/29/94/14/501299414.db2.gz LCQQHDNVQNXGQY-IPMKNSEASA-N 2 1 356.539 3.422 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000455476749 501313281 /nfs/dbraw/zinc/31/32/81/501313281.db2.gz SRYLETGDKLCZFQ-KURKYZTESA-N 2 1 369.513 3.268 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000455476749 501313283 /nfs/dbraw/zinc/31/32/83/501313283.db2.gz SRYLETGDKLCZFQ-KURKYZTESA-N 2 1 369.513 3.268 20 0 FGADMP CCc1cccc(C[N@H+]2CCC[C@H](CN3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529602 501313546 /nfs/dbraw/zinc/31/35/46/501313546.db2.gz NKWIECFQXSSBNW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1cccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529602 501313549 /nfs/dbraw/zinc/31/35/49/501313549.db2.gz NKWIECFQXSSBNW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1cccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529602 501313551 /nfs/dbraw/zinc/31/35/51/501313551.db2.gz NKWIECFQXSSBNW-JOCHJYFZSA-N 2 1 357.542 3.015 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453318810 501314041 /nfs/dbraw/zinc/31/40/41/501314041.db2.gz LMZZSLMJSYRUQU-OQEHDIDLSA-N 2 1 358.526 3.071 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327808 /nfs/dbraw/zinc/32/78/08/501327808.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327811 /nfs/dbraw/zinc/32/78/11/501327811.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@H]1C ZINC000451572627 501327813 /nfs/dbraw/zinc/32/78/13/501327813.db2.gz QTKAJVSDUXXEQI-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@@H]1C ZINC000451574683 501328848 /nfs/dbraw/zinc/32/88/48/501328848.db2.gz RUXGPSBUOFHTJR-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@@H]1C ZINC000451574683 501328850 /nfs/dbraw/zinc/32/88/50/501328850.db2.gz RUXGPSBUOFHTJR-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@@H]1C ZINC000451574683 501328851 /nfs/dbraw/zinc/32/88/51/501328851.db2.gz RUXGPSBUOFHTJR-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP C[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455607777 501345973 /nfs/dbraw/zinc/34/59/73/501345973.db2.gz JKITWEWDZLIJLM-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CN(c1ccccc1C[NH2+]CCCC[N@@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000453592458 501356127 /nfs/dbraw/zinc/35/61/27/501356127.db2.gz FIUCUIGZJBQZCF-UHFFFAOYSA-N 3 1 358.574 3.181 20 0 FGADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)ccc1OCC[NH+](C)C ZINC000458206653 501392872 /nfs/dbraw/zinc/39/28/72/501392872.db2.gz ZVFFQULPCHANFQ-LJQANCHMSA-N 2 1 359.514 3.281 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458575543 501478225 /nfs/dbraw/zinc/47/82/25/501478225.db2.gz XVJXSSODRJRUEB-HKUYNNGSSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458625452 501492466 /nfs/dbraw/zinc/49/24/66/501492466.db2.gz DYRWRWVZZQPRIU-IAGOWNOFSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285645 506261063 /nfs/dbraw/zinc/26/10/63/506261063.db2.gz WSRCFSQTRJZGFY-IYBDPMFKSA-N 2 1 361.534 3.055 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000459262286 501620814 /nfs/dbraw/zinc/62/08/14/501620814.db2.gz LNSDQXVBZSJVJA-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456998676 501632867 /nfs/dbraw/zinc/63/28/67/501632867.db2.gz SGOQRTFGICDRCT-FCHUYYIVSA-N 2 1 363.505 3.072 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456998676 501632869 /nfs/dbraw/zinc/63/28/69/501632869.db2.gz SGOQRTFGICDRCT-FCHUYYIVSA-N 2 1 363.505 3.072 20 0 FGADMP CC[NH+](CC)CCOC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459350535 501637385 /nfs/dbraw/zinc/63/73/85/501637385.db2.gz FWZCWLRRYXJUPQ-NRFANRHFSA-N 2 1 359.558 3.084 20 0 FGADMP CC[NH+](CC)CCOC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459350535 501637388 /nfs/dbraw/zinc/63/73/88/501637388.db2.gz FWZCWLRRYXJUPQ-NRFANRHFSA-N 2 1 359.558 3.084 20 0 FGADMP Cn1cncc1CCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000459350991 501637471 /nfs/dbraw/zinc/63/74/71/501637471.db2.gz PUMSELIIKPBIPR-MRXNPFEDSA-N 2 1 367.280 3.373 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099147 501650637 /nfs/dbraw/zinc/65/06/37/501650637.db2.gz UXHUZCDCMAXGCP-OALUTQOASA-N 2 1 372.557 3.434 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099147 501650640 /nfs/dbraw/zinc/65/06/40/501650640.db2.gz UXHUZCDCMAXGCP-OALUTQOASA-N 2 1 372.557 3.434 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454897792 501651485 /nfs/dbraw/zinc/65/14/85/501651485.db2.gz KEMNWCGYMXOYFS-FQEVSTJZSA-N 2 1 362.562 3.100 20 0 FGADMP CC[N@H+](CCC1CC[NH+](Cc2ncccc2C(=O)OC)CC1)CC(C)C ZINC000459460605 501657886 /nfs/dbraw/zinc/65/78/86/501657886.db2.gz FWDUUZRARPCTDI-UHFFFAOYSA-N 2 1 361.530 3.448 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncccc2C(=O)OC)CC1)CC(C)C ZINC000459460605 501657887 /nfs/dbraw/zinc/65/78/87/501657887.db2.gz FWDUUZRARPCTDI-UHFFFAOYSA-N 2 1 361.530 3.448 20 0 FGADMP Cn1ccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)c2ccc(F)cc2)n1 ZINC000459472328 501659411 /nfs/dbraw/zinc/65/94/11/501659411.db2.gz VYMXUTMQZVCDRV-NRFANRHFSA-N 2 1 365.456 3.302 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000457367207 501688269 /nfs/dbraw/zinc/68/82/69/501688269.db2.gz DZENNIMNUPHMHD-IRXDYDNUSA-N 2 1 367.493 3.315 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474271361 501769556 /nfs/dbraw/zinc/76/95/56/501769556.db2.gz XPHUDTALWJWTMP-HXUWFJFHSA-N 2 1 356.514 3.113 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1I ZINC000467381974 501781167 /nfs/dbraw/zinc/78/11/67/501781167.db2.gz OBPFMBHLBTZHGT-HUUCEWRRSA-N 2 1 370.278 3.316 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470726053 501783171 /nfs/dbraw/zinc/78/31/71/501783171.db2.gz KIMCGVFZCKEQGP-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470726053 501783174 /nfs/dbraw/zinc/78/31/74/501783174.db2.gz KIMCGVFZCKEQGP-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470726053 501783175 /nfs/dbraw/zinc/78/31/75/501783175.db2.gz KIMCGVFZCKEQGP-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470746721 501789458 /nfs/dbraw/zinc/78/94/58/501789458.db2.gz OXMLRBHRQNJZOQ-ICSRJNTNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470746721 501789463 /nfs/dbraw/zinc/78/94/63/501789463.db2.gz OXMLRBHRQNJZOQ-ICSRJNTNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470746721 501789470 /nfs/dbraw/zinc/78/94/70/501789470.db2.gz OXMLRBHRQNJZOQ-ICSRJNTNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470758275 501794301 /nfs/dbraw/zinc/79/43/01/501794301.db2.gz WDYVGTHCHNRCFX-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000481542455 501808909 /nfs/dbraw/zinc/80/89/09/501808909.db2.gz LRUGWWZDZZJCCP-QGZVFWFLSA-N 2 1 373.516 3.138 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](c2ccco2)C1 ZINC000460394892 501813974 /nfs/dbraw/zinc/81/39/74/501813974.db2.gz PVMCAIVFGRXMAQ-YZGWKJHDSA-N 2 1 369.509 3.472 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](c2ccco2)C1 ZINC000460394892 501813979 /nfs/dbraw/zinc/81/39/79/501813979.db2.gz PVMCAIVFGRXMAQ-YZGWKJHDSA-N 2 1 369.509 3.472 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000485417640 501814880 /nfs/dbraw/zinc/81/48/80/501814880.db2.gz WZKAOBYRWQLWRR-IPJJNNNSSA-N 2 1 365.521 3.192 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000485417640 501814884 /nfs/dbraw/zinc/81/48/84/501814884.db2.gz WZKAOBYRWQLWRR-IPJJNNNSSA-N 2 1 365.521 3.192 20 0 FGADMP O=C(C[N@H+]1CCCC2(CCC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000470866861 501833979 /nfs/dbraw/zinc/83/39/79/501833979.db2.gz PZKCBTKLABRBPB-UHFFFAOYSA-N 2 1 355.526 3.165 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000485489748 501836003 /nfs/dbraw/zinc/83/60/03/501836003.db2.gz JXJWUTPUYRWWHP-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000474467833 501845548 /nfs/dbraw/zinc/84/55/48/501845548.db2.gz LIUIFKVEQVUUMJ-FKBYEOEOSA-N 2 1 359.558 3.160 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000481784483 501882409 /nfs/dbraw/zinc/88/24/09/501882409.db2.gz TUMDPJVYJCDGGG-UHFFFAOYSA-N 2 1 361.917 3.030 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3cccc(Cl)c3)CC2)CC1 ZINC000481784483 501882414 /nfs/dbraw/zinc/88/24/14/501882414.db2.gz TUMDPJVYJCDGGG-UHFFFAOYSA-N 2 1 361.917 3.030 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647447 501885120 /nfs/dbraw/zinc/88/51/20/501885120.db2.gz HULRIERMGNHXIF-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647447 501885124 /nfs/dbraw/zinc/88/51/24/501885124.db2.gz HULRIERMGNHXIF-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647447 501885132 /nfs/dbraw/zinc/88/51/32/501885132.db2.gz HULRIERMGNHXIF-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647453 501885542 /nfs/dbraw/zinc/88/55/42/501885542.db2.gz HULRIERMGNHXIF-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647453 501885544 /nfs/dbraw/zinc/88/55/44/501885544.db2.gz HULRIERMGNHXIF-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647453 501885546 /nfs/dbraw/zinc/88/55/46/501885546.db2.gz HULRIERMGNHXIF-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000468029101 501934138 /nfs/dbraw/zinc/93/41/38/501934138.db2.gz JVRHHFVPIVIDJM-YLJYHZDGSA-N 2 1 371.529 3.256 20 0 FGADMP C[NH+]1CCC(CC(=O)N[C@H](C[N@H+]2CCc3ccccc3C2)C(C)(C)C)CC1 ZINC000485789765 501938448 /nfs/dbraw/zinc/93/84/48/501938448.db2.gz HJYPUJFHUPJDML-OAQYLSRUSA-N 2 1 371.569 3.308 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007432 501945388 /nfs/dbraw/zinc/94/53/88/501945388.db2.gz PHZNYNFTCOXFCG-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007432 501945393 /nfs/dbraw/zinc/94/53/93/501945393.db2.gz PHZNYNFTCOXFCG-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007432 501945402 /nfs/dbraw/zinc/94/54/02/501945402.db2.gz PHZNYNFTCOXFCG-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478407321 501971361 /nfs/dbraw/zinc/97/13/61/501971361.db2.gz PFCXSFGRZWWKPK-UHFFFAOYSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000478412566 501973906 /nfs/dbraw/zinc/97/39/06/501973906.db2.gz DHSNPPKJQDKBGP-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513527 502005467 /nfs/dbraw/zinc/00/54/67/502005467.db2.gz BZRBJHNWDPWXKA-FPOVZHCZSA-N 2 1 366.509 3.082 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000471390047 502008500 /nfs/dbraw/zinc/00/85/00/502008500.db2.gz LUTPOJOGNHLMGQ-GOSISDBHSA-N 2 1 357.542 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000471390047 502008507 /nfs/dbraw/zinc/00/85/07/502008507.db2.gz LUTPOJOGNHLMGQ-GOSISDBHSA-N 2 1 357.542 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000471390047 502008513 /nfs/dbraw/zinc/00/85/13/502008513.db2.gz LUTPOJOGNHLMGQ-GOSISDBHSA-N 2 1 357.542 3.062 20 0 FGADMP O=C(CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1cccnc1 ZINC000478560582 502018654 /nfs/dbraw/zinc/01/86/54/502018654.db2.gz YCMUFQHBBNIXKV-GOSISDBHSA-N 2 1 370.522 3.116 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(Cc2cnc(C(=O)OCC)s2)CC1 ZINC000602763177 506288783 /nfs/dbraw/zinc/28/87/83/506288783.db2.gz BNWWQMZQSCULCU-UHFFFAOYSA-N 2 1 353.532 3.264 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc(C(=O)OCC)s2)CC1 ZINC000602763177 506288787 /nfs/dbraw/zinc/28/87/87/506288787.db2.gz BNWWQMZQSCULCU-UHFFFAOYSA-N 2 1 353.532 3.264 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(C(=O)OCC)s2)CC1 ZINC000602763177 506288789 /nfs/dbraw/zinc/28/87/89/506288789.db2.gz BNWWQMZQSCULCU-UHFFFAOYSA-N 2 1 353.532 3.264 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042314 502032207 /nfs/dbraw/zinc/03/22/07/502032207.db2.gz WVVAEXPYWMVXNA-JTHBVZDNSA-N 2 1 365.521 3.069 20 0 FGADMP C[C@@H](CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)OCc1ccccc1 ZINC000475044593 502032970 /nfs/dbraw/zinc/03/29/70/502032970.db2.gz CKQCWQBVISYSOS-BDTNDASRSA-N 2 1 373.585 3.472 20 0 FGADMP C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000475055603 502039270 /nfs/dbraw/zinc/03/92/70/502039270.db2.gz WPOFFYCCTWWFPP-QGZVFWFLSA-N 2 1 370.324 3.372 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000468466654 502067026 /nfs/dbraw/zinc/06/70/26/502067026.db2.gz KQFOTGLQFYMMJU-GOSISDBHSA-N 2 1 357.498 3.345 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000475157363 502085746 /nfs/dbraw/zinc/08/57/46/502085746.db2.gz YOTIBRMZRFYRIM-PZJWPPBQSA-N 2 1 357.542 3.198 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771283 502087876 /nfs/dbraw/zinc/08/78/76/502087876.db2.gz CSVPUUHDEJCPNC-UYAOXDASSA-N 2 1 362.558 3.388 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771283 502087885 /nfs/dbraw/zinc/08/78/85/502087885.db2.gz CSVPUUHDEJCPNC-UYAOXDASSA-N 2 1 362.558 3.388 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000464881103 502136861 /nfs/dbraw/zinc/13/68/61/502136861.db2.gz QTZRLDIFUTURTN-SFTDATJTSA-N 2 1 357.542 3.163 20 0 FGADMP C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486532911 502183634 /nfs/dbraw/zinc/18/36/34/502183634.db2.gz GHRAAAUHTLSYRL-PXNSSMCTSA-N 2 1 361.493 3.472 20 0 FGADMP C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486532911 502183640 /nfs/dbraw/zinc/18/36/40/502183640.db2.gz GHRAAAUHTLSYRL-PXNSSMCTSA-N 2 1 361.493 3.472 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000479186674 502187325 /nfs/dbraw/zinc/18/73/25/502187325.db2.gz MKVHWAYJENXYRJ-FQEVSTJZSA-N 2 1 357.473 3.025 20 0 FGADMP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864475 502202051 /nfs/dbraw/zinc/20/20/51/502202051.db2.gz HYJVOLIQWIVNNQ-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864475 502202059 /nfs/dbraw/zinc/20/20/59/502202059.db2.gz HYJVOLIQWIVNNQ-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000482864475 502202062 /nfs/dbraw/zinc/20/20/62/502202062.db2.gz HYJVOLIQWIVNNQ-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000482864475 502202069 /nfs/dbraw/zinc/20/20/69/502202069.db2.gz HYJVOLIQWIVNNQ-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185594 502209120 /nfs/dbraw/zinc/20/91/20/502209120.db2.gz DVYGBVWZRBFZGB-CRAIPNDOSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185594 502209121 /nfs/dbraw/zinc/20/91/21/502209121.db2.gz DVYGBVWZRBFZGB-CRAIPNDOSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475551060 502210963 /nfs/dbraw/zinc/21/09/63/502210963.db2.gz PUMGUBSEAQMYFA-IBGZPJMESA-N 2 1 354.498 3.130 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475551060 502210969 /nfs/dbraw/zinc/21/09/69/502210969.db2.gz PUMGUBSEAQMYFA-IBGZPJMESA-N 2 1 354.498 3.130 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672251 502226666 /nfs/dbraw/zinc/22/66/66/502226666.db2.gz CBLRVOOXMKNPCK-NQIIRXRSSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672251 502226670 /nfs/dbraw/zinc/22/66/70/502226670.db2.gz CBLRVOOXMKNPCK-NQIIRXRSSA-N 2 1 367.468 3.280 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000472095776 502230056 /nfs/dbraw/zinc/23/00/56/502230056.db2.gz PWFNERKRXWRABX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP Fc1ccc2cc(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)[nH]c2c1 ZINC000486684628 502230883 /nfs/dbraw/zinc/23/08/83/502230883.db2.gz CAAAPKBELKEFMB-UHFFFAOYSA-N 2 1 353.441 3.429 20 0 FGADMP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000461908865 502232341 /nfs/dbraw/zinc/23/23/41/502232341.db2.gz RQLXLCZOUCOSKK-IBGZPJMESA-N 2 1 353.466 3.477 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000461908865 502232346 /nfs/dbraw/zinc/23/23/46/502232346.db2.gz RQLXLCZOUCOSKK-IBGZPJMESA-N 2 1 353.466 3.477 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000486729399 502244515 /nfs/dbraw/zinc/24/45/15/502244515.db2.gz UZWONIXUFUDCJP-UHFFFAOYSA-N 2 1 371.525 3.160 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434096 502260456 /nfs/dbraw/zinc/26/04/56/502260456.db2.gz PHJKTMIBUCFDOV-TZIWHRDSSA-N 2 1 374.573 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000475721875 502263453 /nfs/dbraw/zinc/26/34/53/502263453.db2.gz OXUCMCPBAHLHRA-MRXNPFEDSA-N 2 1 363.527 3.238 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000475721875 502263457 /nfs/dbraw/zinc/26/34/57/502263457.db2.gz OXUCMCPBAHLHRA-MRXNPFEDSA-N 2 1 363.527 3.238 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491156 502277300 /nfs/dbraw/zinc/27/73/00/502277300.db2.gz OMMWYERZOBPELU-NHCUHLMSSA-N 2 1 372.557 3.195 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000483126124 502282567 /nfs/dbraw/zinc/28/25/67/502282567.db2.gz BQUDJADNPFJEKG-VWPQPMDRSA-N 2 1 359.558 3.382 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000469064415 502283722 /nfs/dbraw/zinc/28/37/22/502283722.db2.gz PLLIGTXJQKKJTF-CALCHBBNSA-N 2 1 361.555 3.355 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261071 502288082 /nfs/dbraw/zinc/28/80/82/502288082.db2.gz BVNDHETXBGPUND-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261071 502288088 /nfs/dbraw/zinc/28/80/88/502288088.db2.gz BVNDHETXBGPUND-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC[NH+]1C ZINC000479537711 502289829 /nfs/dbraw/zinc/28/98/29/502289829.db2.gz OHAIULJYAAXFIP-QWFCFKBJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000479537711 502289834 /nfs/dbraw/zinc/28/98/34/502289834.db2.gz OHAIULJYAAXFIP-QWFCFKBJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000479537711 502289837 /nfs/dbraw/zinc/28/98/37/502289837.db2.gz OHAIULJYAAXFIP-QWFCFKBJSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000472266917 502290893 /nfs/dbraw/zinc/29/08/93/502290893.db2.gz YCJASORBXIRBQK-QFIPXVFZSA-N 2 1 370.541 3.422 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000472272323 502293229 /nfs/dbraw/zinc/29/32/29/502293229.db2.gz DFSQPPCCDSXVEQ-QGZVFWFLSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000472272323 502293231 /nfs/dbraw/zinc/29/32/31/502293231.db2.gz DFSQPPCCDSXVEQ-QGZVFWFLSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000472279462 502297277 /nfs/dbraw/zinc/29/72/77/502297277.db2.gz QOEFRQLEWPFSAC-LJQANCHMSA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(OC)cc3)o2)C1 ZINC000472279462 502297281 /nfs/dbraw/zinc/29/72/81/502297281.db2.gz QOEFRQLEWPFSAC-LJQANCHMSA-N 2 1 373.497 3.283 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540491 502298042 /nfs/dbraw/zinc/29/80/42/502298042.db2.gz LFKBTUYVGODXJK-WOJBJXKFSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000469138020 502311941 /nfs/dbraw/zinc/31/19/41/502311941.db2.gz QHTQZIPLPHBVBM-CTNGQTDRSA-N 2 1 372.557 3.159 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)CC(C)C ZINC000465581042 502315398 /nfs/dbraw/zinc/31/53/98/502315398.db2.gz XKIXPHIIOMIBLT-RBUKOAKNSA-N 2 1 354.583 3.259 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)C[C@H](C)O1 ZINC000486960155 502316379 /nfs/dbraw/zinc/31/63/79/502316379.db2.gz AYFWFTJJHQCDGA-QCUQMOABSA-N 2 1 351.494 3.494 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(CN[C@H](C)C[NH+]3CCCCCC3)sc2C1 ZINC000479609850 502318130 /nfs/dbraw/zinc/31/81/30/502318130.db2.gz CNHLUSKTHXYLJX-MRXNPFEDSA-N 2 1 350.576 3.264 20 0 FGADMP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351538 502326839 /nfs/dbraw/zinc/32/68/39/502326839.db2.gz SWRCIVZITVWYOX-HKUYNNGSSA-N 2 1 358.555 3.381 20 0 FGADMP C[N@@H+](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)C1CCCCC1 ZINC000475907699 502328020 /nfs/dbraw/zinc/32/80/20/502328020.db2.gz TUXXHIQJFYUFSX-UHFFFAOYSA-N 2 1 364.578 3.347 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCC1 ZINC000465627790 502330254 /nfs/dbraw/zinc/33/02/54/502330254.db2.gz HFGYUFMRMXKNOR-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000472453267 502355401 /nfs/dbraw/zinc/35/54/01/502355401.db2.gz ZCJDCIIYPSXNNB-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000472453267 502355408 /nfs/dbraw/zinc/35/54/08/502355408.db2.gz ZCJDCIIYPSXNNB-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000472453267 502355415 /nfs/dbraw/zinc/35/54/15/502355415.db2.gz ZCJDCIIYPSXNNB-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000472453267 502355420 /nfs/dbraw/zinc/35/54/20/502355420.db2.gz ZCJDCIIYPSXNNB-INIZCTEOSA-N 2 1 367.331 3.492 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000472453708 502355452 /nfs/dbraw/zinc/35/54/52/502355452.db2.gz MUXGJZVJPQBOPY-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H](C)c1ccccc1 ZINC000476010597 502357489 /nfs/dbraw/zinc/35/74/89/502357489.db2.gz KGGBILDORSNZTE-QKNQBKEWSA-N 2 1 374.573 3.236 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479762136 502369544 /nfs/dbraw/zinc/36/95/44/502369544.db2.gz HGCUVFZVUWSBCT-KDURUIRLSA-N 2 1 374.488 3.199 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479762136 502369549 /nfs/dbraw/zinc/36/95/49/502369549.db2.gz HGCUVFZVUWSBCT-KDURUIRLSA-N 2 1 374.488 3.199 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498476 502370847 /nfs/dbraw/zinc/37/08/47/502370847.db2.gz KAERJWKXOCJSNO-CTNGQTDRSA-N 2 1 374.569 3.388 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498476 502370852 /nfs/dbraw/zinc/37/08/52/502370852.db2.gz KAERJWKXOCJSNO-CTNGQTDRSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498476 502370858 /nfs/dbraw/zinc/37/08/58/502370858.db2.gz KAERJWKXOCJSNO-CTNGQTDRSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498476 502370861 /nfs/dbraw/zinc/37/08/61/502370861.db2.gz KAERJWKXOCJSNO-CTNGQTDRSA-N 2 1 374.569 3.388 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465773196 502379835 /nfs/dbraw/zinc/37/98/35/502379835.db2.gz YTSKRIUWWONLNO-MOPGFXCFSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809759 502391610 /nfs/dbraw/zinc/39/16/10/502391610.db2.gz JTSMRUPBZRBSNS-MSOLQXFVSA-N 2 1 364.534 3.036 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000476190479 502408434 /nfs/dbraw/zinc/40/84/34/502408434.db2.gz MBIDMCYSDCHJBN-IAGOWNOFSA-N 2 1 358.530 3.019 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c2nccn21 ZINC000582589096 506311737 /nfs/dbraw/zinc/31/17/37/506311737.db2.gz DYJYCHURHXNAQZ-MMOPVJDHSA-N 2 1 367.497 3.243 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730379 502427264 /nfs/dbraw/zinc/42/72/64/502427264.db2.gz BCSCPERPTYTBLW-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730379 502427268 /nfs/dbraw/zinc/42/72/68/502427268.db2.gz BCSCPERPTYTBLW-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730379 502427274 /nfs/dbraw/zinc/42/72/74/502427274.db2.gz BCSCPERPTYTBLW-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730379 502427279 /nfs/dbraw/zinc/42/72/79/502427279.db2.gz BCSCPERPTYTBLW-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000483566132 502433124 /nfs/dbraw/zinc/43/31/24/502433124.db2.gz VZVKQPINYFHAIW-LEWJYISDSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483566132 502433132 /nfs/dbraw/zinc/43/31/32/502433132.db2.gz VZVKQPINYFHAIW-LEWJYISDSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483566132 502433136 /nfs/dbraw/zinc/43/31/36/502433136.db2.gz VZVKQPINYFHAIW-LEWJYISDSA-N 2 1 357.542 3.475 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1C ZINC000483683316 502461985 /nfs/dbraw/zinc/46/19/85/502461985.db2.gz KZVSKJIPYUEOES-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483684649 502463639 /nfs/dbraw/zinc/46/36/39/502463639.db2.gz NTPNPGLJYBWDCE-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483684649 502463647 /nfs/dbraw/zinc/46/36/47/502463647.db2.gz NTPNPGLJYBWDCE-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483684649 502463655 /nfs/dbraw/zinc/46/36/55/502463655.db2.gz NTPNPGLJYBWDCE-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462744939 502555334 /nfs/dbraw/zinc/55/53/34/502555334.db2.gz NOMUQUSIKWWVCF-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CCC1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000582598488 506318163 /nfs/dbraw/zinc/31/81/63/506318163.db2.gz BHFRQQUFLSYSAQ-JOCHJYFZSA-N 2 1 371.569 3.085 20 0 FGADMP O[C@@]1(CN[C@H]2CCCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484171633 502593132 /nfs/dbraw/zinc/59/31/32/502593132.db2.gz FYKASGXSSHGPFW-RBBKRZOGSA-N 2 1 352.478 3.127 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000484171633 502593137 /nfs/dbraw/zinc/59/31/37/502593137.db2.gz FYKASGXSSHGPFW-RBBKRZOGSA-N 2 1 352.478 3.127 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496763 502610364 /nfs/dbraw/zinc/61/03/64/502610364.db2.gz IKLMYSSXBKBJJI-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496763 502610368 /nfs/dbraw/zinc/61/03/68/502610368.db2.gz IKLMYSSXBKBJJI-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496763 502610373 /nfs/dbraw/zinc/61/03/73/502610373.db2.gz IKLMYSSXBKBJJI-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)c1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000480589249 502613164 /nfs/dbraw/zinc/61/31/64/502613164.db2.gz MXQYEOPMGHEOHB-KDURUIRLSA-N 2 1 365.525 3.234 20 0 FGADMP CC(C)c1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(N(C)C)[nH+]1 ZINC000480589249 502613167 /nfs/dbraw/zinc/61/31/67/502613167.db2.gz MXQYEOPMGHEOHB-KDURUIRLSA-N 2 1 365.525 3.234 20 0 FGADMP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000484305572 502620722 /nfs/dbraw/zinc/62/07/22/502620722.db2.gz IKSJSLRRHIGYKX-NRFANRHFSA-N 2 1 355.482 3.222 20 0 FGADMP CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000484305572 502620725 /nfs/dbraw/zinc/62/07/25/502620725.db2.gz IKSJSLRRHIGYKX-NRFANRHFSA-N 2 1 355.482 3.222 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001530 502626453 /nfs/dbraw/zinc/62/64/53/502626453.db2.gz XLODUVWEUUCCRR-HIFRSBDPSA-N 2 1 363.303 3.194 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001530 502626456 /nfs/dbraw/zinc/62/64/56/502626456.db2.gz XLODUVWEUUCCRR-HIFRSBDPSA-N 2 1 363.303 3.194 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000470004412 502628409 /nfs/dbraw/zinc/62/84/09/502628409.db2.gz RKWPSZYMJSDYNO-UHFFFAOYSA-N 2 1 365.319 3.227 20 0 FGADMP Brc1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc2c1OCO2 ZINC000470009887 502629226 /nfs/dbraw/zinc/62/92/26/502629226.db2.gz VEBNEBOJWILXAD-OAHLLOKOSA-N 2 1 367.287 3.142 20 0 FGADMP COc1cc(Br)ccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000470016209 502631107 /nfs/dbraw/zinc/63/11/07/502631107.db2.gz DBYALSMXIQEMLU-MRXNPFEDSA-N 2 1 353.304 3.422 20 0 FGADMP CCC[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1CC[NH2+]CC1 ZINC000470022009 502633978 /nfs/dbraw/zinc/63/39/78/502633978.db2.gz FYHSQPUBBQXIQF-UHFFFAOYSA-N 2 1 355.276 3.142 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000599111968 506326487 /nfs/dbraw/zinc/32/64/87/506326487.db2.gz PYONOCLKWLCXAS-SFHVURJKSA-N 2 1 351.922 3.153 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000599111968 506326493 /nfs/dbraw/zinc/32/64/93/506326493.db2.gz PYONOCLKWLCXAS-SFHVURJKSA-N 2 1 351.922 3.153 20 0 FGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000599111968 506326498 /nfs/dbraw/zinc/32/64/98/506326498.db2.gz PYONOCLKWLCXAS-SFHVURJKSA-N 2 1 351.922 3.153 20 0 FGADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000599111968 506326499 /nfs/dbraw/zinc/32/64/99/506326499.db2.gz PYONOCLKWLCXAS-SFHVURJKSA-N 2 1 351.922 3.153 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809839 502676795 /nfs/dbraw/zinc/67/67/95/502676795.db2.gz ZSBOWZJYEJLQFT-PXNSSMCTSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809839 502676801 /nfs/dbraw/zinc/67/68/01/502676801.db2.gz ZSBOWZJYEJLQFT-PXNSSMCTSA-N 2 1 373.541 3.069 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000463123585 502701774 /nfs/dbraw/zinc/70/17/74/502701774.db2.gz ORZHRSURMKSGMB-YOEHRIQHSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000463123585 502701779 /nfs/dbraw/zinc/70/17/79/502701779.db2.gz ORZHRSURMKSGMB-YOEHRIQHSA-N 2 1 359.436 3.327 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000488393413 502702586 /nfs/dbraw/zinc/70/25/86/502702586.db2.gz SRIUBYNDULZVQZ-QGZVFWFLSA-N 2 1 361.530 3.384 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C)C1 ZINC000481033787 502735405 /nfs/dbraw/zinc/73/54/05/502735405.db2.gz HVDXLFVPOVCXEY-NCYKPQTJSA-N 2 1 367.622 3.470 20 0 FGADMP CO[C@@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(F)(F)F ZINC000463277957 502743662 /nfs/dbraw/zinc/74/36/62/502743662.db2.gz ATSXWYVSQCRBMA-KRWDZBQOSA-N 2 1 362.411 3.390 20 0 FGADMP C[C@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000477342551 502748301 /nfs/dbraw/zinc/74/83/01/502748301.db2.gz RYGZVIVVBKVFBN-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000477396942 502764156 /nfs/dbraw/zinc/76/41/56/502764156.db2.gz WBMAOINNWDVLAA-GOSISDBHSA-N 2 1 360.546 3.119 20 0 FGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000484890074 502766356 /nfs/dbraw/zinc/76/63/56/502766356.db2.gz FBLDKFZKVOLUSQ-TVFCKZIOSA-N 2 1 364.555 3.170 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907472 502772339 /nfs/dbraw/zinc/77/23/39/502772339.db2.gz OSZULBFXGWMPOE-RVSPLBMKSA-N 2 1 370.324 3.326 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907472 502772344 /nfs/dbraw/zinc/77/23/44/502772344.db2.gz OSZULBFXGWMPOE-RVSPLBMKSA-N 2 1 370.324 3.326 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000481187183 502777251 /nfs/dbraw/zinc/77/72/51/502777251.db2.gz FKPNARPFKTVTTO-SBHAEUEKSA-N 2 1 359.558 3.164 20 0 FGADMP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974577 502790681 /nfs/dbraw/zinc/79/06/81/502790681.db2.gz SNJIQAINPFGLSB-IRFCIJBXSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974577 502790689 /nfs/dbraw/zinc/79/06/89/502790689.db2.gz SNJIQAINPFGLSB-IRFCIJBXSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974577 502790695 /nfs/dbraw/zinc/79/06/95/502790695.db2.gz SNJIQAINPFGLSB-IRFCIJBXSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000500684543 502839661 /nfs/dbraw/zinc/83/96/61/502839661.db2.gz IPMAIQBPMCMASU-OALUTQOASA-N 2 1 372.557 3.012 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489076228 502874571 /nfs/dbraw/zinc/87/45/71/502874571.db2.gz POWOBAKYNYVWPB-UNMCSNQZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489076228 502874575 /nfs/dbraw/zinc/87/45/75/502874575.db2.gz POWOBAKYNYVWPB-UNMCSNQZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489076228 502874579 /nfs/dbraw/zinc/87/45/79/502874579.db2.gz POWOBAKYNYVWPB-UNMCSNQZSA-N 2 1 372.557 3.072 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C3CCN(c4ccccn4)CC3)CCCC2)CC1 ZINC000513204284 502877104 /nfs/dbraw/zinc/87/71/04/502877104.db2.gz PNGHHRBOMPXXLV-UHFFFAOYSA-N 2 1 372.557 3.064 20 0 FGADMP O=C([C@H]1CC[N@@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505270077 502880024 /nfs/dbraw/zinc/88/00/24/502880024.db2.gz FGTJIAYJWRRQKR-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CC[N@H+]1Cc1ccccc1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000505270077 502880026 /nfs/dbraw/zinc/88/00/26/502880026.db2.gz FGTJIAYJWRRQKR-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP COC(=O)c1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501043288 502920762 /nfs/dbraw/zinc/92/07/62/502920762.db2.gz BTPGDEHOULVXNM-UHFFFAOYSA-N 2 1 353.466 3.217 20 0 FGADMP CCc1ccc([C@@H]2CCC[N@H+](CC(=O)NC3CC[NH+](CC)CC3)C2)cc1 ZINC000513406414 502929350 /nfs/dbraw/zinc/92/93/50/502929350.db2.gz RGMQULKWTHBPHQ-HXUWFJFHSA-N 2 1 357.542 3.029 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298229 502930752 /nfs/dbraw/zinc/93/07/52/502930752.db2.gz XYUNVEYDKXHZFY-OXJNMPFZSA-N 2 1 353.466 3.046 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc3c(c2)oc(=O)n3C)CC1)CC1CC1 ZINC000509560306 502935128 /nfs/dbraw/zinc/93/51/28/502935128.db2.gz OBBLDWDAVQDXMG-UHFFFAOYSA-N 2 1 371.525 3.466 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH2+][C@H](C)CC)c2ccco2)C1 ZINC000509569607 502937287 /nfs/dbraw/zinc/93/72/87/502937287.db2.gz NOKWTPRYXOMSFF-SQNIBIBYSA-N 2 1 364.534 3.082 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493903 502952673 /nfs/dbraw/zinc/95/26/73/502952673.db2.gz DLPZZRGLMZTVIQ-HKUYNNGSSA-N 2 1 368.525 3.107 20 0 FGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000513499544 502953346 /nfs/dbraw/zinc/95/33/46/502953346.db2.gz GXJZOAVSTKXRJT-PEZBUJJGSA-N 2 1 363.933 3.276 20 0 FGADMP C[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000497417609 502954085 /nfs/dbraw/zinc/95/40/85/502954085.db2.gz ODNLVOSBJUMSET-YADHBBJMSA-N 2 1 363.505 3.110 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(OC)cc2)CC1 ZINC000505746114 502977160 /nfs/dbraw/zinc/97/71/60/502977160.db2.gz RZCOVAMBFMOTMD-UHFFFAOYSA-N 2 1 353.510 3.469 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cc2ccccc2o1 ZINC000505782304 502984803 /nfs/dbraw/zinc/98/48/03/502984803.db2.gz FHAJEGVSFADBFR-IBGZPJMESA-N 2 1 371.525 3.240 20 0 FGADMP CC(C)Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000513659916 502993708 /nfs/dbraw/zinc/99/37/08/502993708.db2.gz DZNNGQXRSNNGDK-UHFFFAOYSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402456 503002217 /nfs/dbraw/zinc/00/22/17/503002217.db2.gz ZJQVFPORTKCJKT-AZUAARDMSA-N 2 1 366.594 3.308 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1)[C@H](CO)C(C)(C)C ZINC000489686824 503011395 /nfs/dbraw/zinc/01/13/95/503011395.db2.gz RPCLDNABRSOZRC-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)[C@H](CO)C(C)(C)C)c1)[C@@H](CO)C(C)(C)C ZINC000489686824 503011401 /nfs/dbraw/zinc/01/14/01/503011401.db2.gz RPCLDNABRSOZRC-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[NH+](Cc1cccc(C[N@@H+](C)[C@H](CO)C(C)(C)C)c1)[C@@H](CO)C(C)(C)C ZINC000489686824 503011407 /nfs/dbraw/zinc/01/14/07/503011407.db2.gz RPCLDNABRSOZRC-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501490215 503019620 /nfs/dbraw/zinc/01/96/20/503019620.db2.gz JOAYXPKQEQRDAH-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000510003954 503028383 /nfs/dbraw/zinc/02/83/83/503028383.db2.gz BVNIXLSGEQYWFU-UHFFFAOYSA-N 2 1 365.268 3.259 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836878 503045919 /nfs/dbraw/zinc/04/59/19/503045919.db2.gz BOGAVVIJLKXASA-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836878 503045921 /nfs/dbraw/zinc/04/59/21/503045921.db2.gz BOGAVVIJLKXASA-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836878 503045923 /nfs/dbraw/zinc/04/59/23/503045923.db2.gz BOGAVVIJLKXASA-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000489867980 503053531 /nfs/dbraw/zinc/05/35/31/503053531.db2.gz AJDBBPFTAGRFKM-OAHLLOKOSA-N 2 1 358.452 3.494 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000489867980 503053534 /nfs/dbraw/zinc/05/35/34/503053534.db2.gz AJDBBPFTAGRFKM-OAHLLOKOSA-N 2 1 358.452 3.494 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000489909529 503063027 /nfs/dbraw/zinc/06/30/27/503063027.db2.gz QUNHWUKYFILVQV-PZJWPPBQSA-N 2 1 373.541 3.342 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000489909529 503063030 /nfs/dbraw/zinc/06/30/30/503063030.db2.gz QUNHWUKYFILVQV-PZJWPPBQSA-N 2 1 373.541 3.342 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000514010132 503067806 /nfs/dbraw/zinc/06/78/06/503067806.db2.gz SUJIXHGUPLERCI-IRLDBZIGSA-N 2 1 360.542 3.246 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514010490 503068024 /nfs/dbraw/zinc/06/80/24/503068024.db2.gz AQDNZKIPAKPACW-LJQANCHMSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514010490 503068028 /nfs/dbraw/zinc/06/80/28/503068028.db2.gz AQDNZKIPAKPACW-LJQANCHMSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514010490 503068032 /nfs/dbraw/zinc/06/80/32/503068032.db2.gz AQDNZKIPAKPACW-LJQANCHMSA-N 2 1 374.573 3.318 20 0 FGADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501734555 503069678 /nfs/dbraw/zinc/06/96/78/503069678.db2.gz KUCNDEQFZGBRGO-SFHVURJKSA-N 2 1 367.484 3.120 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCNc2ccccn2)C1 ZINC000514051027 503075376 /nfs/dbraw/zinc/07/53/76/503075376.db2.gz SXVOEEZIRPWATM-PKOBYXMFSA-N 2 1 367.497 3.018 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293706 503086684 /nfs/dbraw/zinc/08/66/84/503086684.db2.gz AKXBCWFZCURNGK-ROUUACIJSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305148 503088802 /nfs/dbraw/zinc/08/88/02/503088802.db2.gz DLIIYFNOJJFHCG-GGPKGHCWSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000510305148 503088806 /nfs/dbraw/zinc/08/88/06/503088806.db2.gz DLIIYFNOJJFHCG-GGPKGHCWSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](CNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000510305148 503088810 /nfs/dbraw/zinc/08/88/10/503088810.db2.gz DLIIYFNOJJFHCG-GGPKGHCWSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000514122699 503093633 /nfs/dbraw/zinc/09/36/33/503093633.db2.gz NANVGXGAGAEWGS-OALUTQOASA-N 2 1 366.594 3.308 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000514122699 503093636 /nfs/dbraw/zinc/09/36/36/503093636.db2.gz NANVGXGAGAEWGS-OALUTQOASA-N 2 1 366.594 3.308 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000514122699 503093638 /nfs/dbraw/zinc/09/36/38/503093638.db2.gz NANVGXGAGAEWGS-OALUTQOASA-N 2 1 366.594 3.308 20 0 FGADMP CCN(C)[C@H](C(=O)NCc1cccc(Cn2ccnc2)c1)c1ccccc1 ZINC000490157275 503119647 /nfs/dbraw/zinc/11/96/47/503119647.db2.gz ZWLJIULFJTVIDZ-NRFANRHFSA-N 2 1 362.477 3.241 20 0 FGADMP [NH3+][C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000498176342 503124825 /nfs/dbraw/zinc/12/48/25/503124825.db2.gz MAGJMOFCBCZHPR-NRFANRHFSA-N 2 1 363.505 3.201 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506711943 503159539 /nfs/dbraw/zinc/15/95/39/503159539.db2.gz RZHOCVNCQSZIAR-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893293 503220863 /nfs/dbraw/zinc/22/08/63/503220863.db2.gz NOBNVICXPBMJGC-GGAORHGYSA-N 2 1 350.506 3.284 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893293 503220867 /nfs/dbraw/zinc/22/08/67/503220867.db2.gz NOBNVICXPBMJGC-GGAORHGYSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893293 503220870 /nfs/dbraw/zinc/22/08/70/503220870.db2.gz NOBNVICXPBMJGC-GGAORHGYSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@@H](O)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893293 503220872 /nfs/dbraw/zinc/22/08/72/503220872.db2.gz NOBNVICXPBMJGC-GGAORHGYSA-N 2 1 350.506 3.284 20 0 FGADMP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980980 503228932 /nfs/dbraw/zinc/22/89/32/503228932.db2.gz RGRTXMSXHGGRQZ-BHIFYINESA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980980 503228937 /nfs/dbraw/zinc/22/89/37/503228937.db2.gz RGRTXMSXHGGRQZ-BHIFYINESA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000510980980 503228942 /nfs/dbraw/zinc/22/89/42/503228942.db2.gz RGRTXMSXHGGRQZ-BHIFYINESA-N 3 1 352.526 3.472 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000502793395 503273992 /nfs/dbraw/zinc/27/39/92/503273992.db2.gz JNLGWSOIWAFPTL-KRWDZBQOSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000502876290 503296080 /nfs/dbraw/zinc/29/60/80/503296080.db2.gz MTJKRDNOVWUQOJ-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000502896129 503301940 /nfs/dbraw/zinc/30/19/40/503301940.db2.gz UCDSDARZPALGCU-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP COCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000582685312 506363971 /nfs/dbraw/zinc/36/39/71/506363971.db2.gz PTEUWZKBIRIITM-UHFFFAOYSA-N 2 1 359.514 3.158 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418873 503318015 /nfs/dbraw/zinc/31/80/15/503318015.db2.gz UWSUBCJMVGQNQO-AKHDSKFASA-N 2 1 364.578 3.202 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423276 503319173 /nfs/dbraw/zinc/31/91/73/503319173.db2.gz VUNQNHGWRQLZJQ-FQEVSTJZSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423276 503319177 /nfs/dbraw/zinc/31/91/77/503319177.db2.gz VUNQNHGWRQLZJQ-FQEVSTJZSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423276 503319182 /nfs/dbraw/zinc/31/91/82/503319182.db2.gz VUNQNHGWRQLZJQ-FQEVSTJZSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1[nH+]ccn1CCN1CC[NH+](CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000499047475 503320192 /nfs/dbraw/zinc/32/01/92/503320192.db2.gz GKMJEPJLUAQVCZ-UHFFFAOYSA-N 2 1 356.558 3.416 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)C1 ZINC000515352525 503322162 /nfs/dbraw/zinc/32/21/62/503322162.db2.gz GLVNJJKWWKQACM-AZUAARDMSA-N 2 1 371.550 3.452 20 0 FGADMP CCCN(C(=O)NCC[NH+](C)C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000491837533 503333190 /nfs/dbraw/zinc/33/31/90/503333190.db2.gz LWLGERFHVQWFQI-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCCN(C(=O)NCC[N@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000491837533 503333194 /nfs/dbraw/zinc/33/31/94/503333194.db2.gz LWLGERFHVQWFQI-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCCN(C(=O)NCC[N@@H+](C)C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000491837533 503333197 /nfs/dbraw/zinc/33/31/97/503333197.db2.gz LWLGERFHVQWFQI-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184130 503362565 /nfs/dbraw/zinc/36/25/65/503362565.db2.gz ZZXAHLKGILVBRX-SIKLNZKXSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184130 503362569 /nfs/dbraw/zinc/36/25/69/503362569.db2.gz ZZXAHLKGILVBRX-SIKLNZKXSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184130 503362572 /nfs/dbraw/zinc/36/25/72/503362572.db2.gz ZZXAHLKGILVBRX-SIKLNZKXSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184130 503362575 /nfs/dbraw/zinc/36/25/75/503362575.db2.gz ZZXAHLKGILVBRX-SIKLNZKXSA-N 2 1 367.537 3.305 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668290 503367116 /nfs/dbraw/zinc/36/71/16/503367116.db2.gz SIHXMFWPGOTAKN-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820016 503407030 /nfs/dbraw/zinc/40/70/30/503407030.db2.gz BJZNIDZHCKRORB-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000515838039 503410126 /nfs/dbraw/zinc/41/01/26/503410126.db2.gz MCGYPLPYWLJBRI-LJQANCHMSA-N 2 1 372.488 3.139 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000515838039 503410130 /nfs/dbraw/zinc/41/01/30/503410130.db2.gz MCGYPLPYWLJBRI-LJQANCHMSA-N 2 1 372.488 3.139 20 0 FGADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)sc1C ZINC000499512876 503422556 /nfs/dbraw/zinc/42/25/56/503422556.db2.gz IHLCIAQAQDYAEI-KRWDZBQOSA-N 2 1 351.560 3.107 20 0 FGADMP CCn1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000499526532 503425804 /nfs/dbraw/zinc/42/58/04/503425804.db2.gz JERLYSGZABJDCC-SFHVURJKSA-N 2 1 370.541 3.149 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000493887564 503453014 /nfs/dbraw/zinc/45/30/14/503453014.db2.gz FTJPTUIZFKXWIT-PKOBYXMFSA-N 2 1 367.896 3.217 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cc(F)ccc3s2)CC1 ZINC000516207979 503471252 /nfs/dbraw/zinc/47/12/52/503471252.db2.gz OVDKVFFNHOVGBX-UHFFFAOYSA-N 2 1 370.453 3.440 20 0 FGADMP C[C@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182631 503479648 /nfs/dbraw/zinc/47/96/48/503479648.db2.gz FLJJRJJQOIAFOQ-UWJYYQICSA-N 2 1 355.526 3.203 20 0 FGADMP Cn1cnnc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000516254639 503483222 /nfs/dbraw/zinc/48/32/22/503483222.db2.gz XNTQFRPHTWZHGT-OAQYLSRUSA-N 2 1 367.541 3.472 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(SC)c1 ZINC000499928605 503513231 /nfs/dbraw/zinc/51/32/31/503513231.db2.gz VXVVYVHIBXIOGQ-INIZCTEOSA-N 2 1 367.534 3.036 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000504130428 503527844 /nfs/dbraw/zinc/52/78/44/503527844.db2.gz ZMKMPMSXIUIUPO-YZGWKJHDSA-N 2 1 362.562 3.052 20 0 FGADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCc2ccccc21 ZINC000508606519 503528615 /nfs/dbraw/zinc/52/86/15/503528615.db2.gz XKOTXXXCBRJTQI-OAQYLSRUSA-N 2 1 365.525 3.128 20 0 FGADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCc2ccccc21 ZINC000508606519 503528618 /nfs/dbraw/zinc/52/86/18/503528618.db2.gz XKOTXXXCBRJTQI-OAQYLSRUSA-N 2 1 365.525 3.128 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560119 503535935 /nfs/dbraw/zinc/53/59/35/503535935.db2.gz GYPDXUFQNLYJPZ-SYYKKAFVSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560119 503535936 /nfs/dbraw/zinc/53/59/36/503535936.db2.gz GYPDXUFQNLYJPZ-SYYKKAFVSA-N 2 1 372.557 3.195 20 0 FGADMP Brc1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000512395408 503536123 /nfs/dbraw/zinc/53/61/23/503536123.db2.gz UYBPYUHMVSNBJP-UHFFFAOYSA-N 2 1 373.360 3.445 20 0 FGADMP C[C@H]([NH2+]CCCNC(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717320 503549585 /nfs/dbraw/zinc/54/95/85/503549585.db2.gz LNEUPRDQWYDCTJ-PKOBYXMFSA-N 2 1 371.550 3.368 20 0 FGADMP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508852705 503578194 /nfs/dbraw/zinc/57/81/94/503578194.db2.gz NDJWLKYKWXFTFO-DSKINZAPSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512545455 503581443 /nfs/dbraw/zinc/58/14/43/503581443.db2.gz OFIRUMFPSOCHCU-PZJWPPBQSA-N 2 1 357.542 3.135 20 0 FGADMP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512637199 503600607 /nfs/dbraw/zinc/60/06/07/503600607.db2.gz SMWWXZIEEAUFAU-KZNAEPCWSA-N 2 1 356.432 3.456 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494890987 503630469 /nfs/dbraw/zinc/63/04/69/503630469.db2.gz OREUHRRJHIGNQN-QKLQHJQFSA-N 2 1 357.542 3.311 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1 ZINC000527117338 503686012 /nfs/dbraw/zinc/68/60/12/503686012.db2.gz HJRAYDKGIHZDHN-KRWDZBQOSA-N 2 1 358.530 3.094 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000540147205 503688034 /nfs/dbraw/zinc/68/80/34/503688034.db2.gz QNDKPEBAKCIPDC-HKBOAZHASA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC000540147205 503688038 /nfs/dbraw/zinc/68/80/38/503688038.db2.gz QNDKPEBAKCIPDC-HKBOAZHASA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC000540147205 503688043 /nfs/dbraw/zinc/68/80/43/503688043.db2.gz QNDKPEBAKCIPDC-HKBOAZHASA-N 2 1 353.595 3.224 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1 ZINC000540260726 503727138 /nfs/dbraw/zinc/72/71/38/503727138.db2.gz KASZBQVPVNKNPO-QUCCMNQESA-N 2 1 358.555 3.419 20 0 FGADMP C[C@@H](CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000543351635 503735220 /nfs/dbraw/zinc/73/52/20/503735220.db2.gz MAVNLUGOYFTRHM-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000543397057 503752846 /nfs/dbraw/zinc/75/28/46/503752846.db2.gz VZUQZYHXXIGDOC-FVJLSDCUSA-N 2 1 353.514 3.413 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388947 503756403 /nfs/dbraw/zinc/75/64/03/503756403.db2.gz XQBADYLEJQQQKY-JXFKEZNVSA-N 2 1 352.482 3.469 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000536933716 503765338 /nfs/dbraw/zinc/76/53/38/503765338.db2.gz JWLQPXAKRVVMNS-WOJBJXKFSA-N 2 1 360.542 3.209 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccc(CO)o3)cc2)C[C@H]1C ZINC000537024414 503779778 /nfs/dbraw/zinc/77/97/78/503779778.db2.gz KPXUGSMNHTVXSH-HDICACEKSA-N 2 1 372.509 3.071 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460347 503779847 /nfs/dbraw/zinc/77/98/47/503779847.db2.gz MAYOCCAZOXWBAP-IXDOHACOSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460347 503779853 /nfs/dbraw/zinc/77/98/53/503779853.db2.gz MAYOCCAZOXWBAP-IXDOHACOSA-N 2 1 359.514 3.265 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024186 503797888 /nfs/dbraw/zinc/79/78/88/503797888.db2.gz KVFRDBBOIYTCLD-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024186 503797894 /nfs/dbraw/zinc/79/78/94/503797894.db2.gz KVFRDBBOIYTCLD-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024186 503797898 /nfs/dbraw/zinc/79/78/98/503797898.db2.gz KVFRDBBOIYTCLD-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093265 503800092 /nfs/dbraw/zinc/80/00/92/503800092.db2.gz FPRCQRBTQFYCSE-ISHFTEKXSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093265 503800096 /nfs/dbraw/zinc/80/00/96/503800096.db2.gz FPRCQRBTQFYCSE-ISHFTEKXSA-N 2 1 373.585 3.126 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cn3ccc(C)cc3n2)C1 ZINC000517703981 503812387 /nfs/dbraw/zinc/81/23/87/503812387.db2.gz WYTGLMAANJQUNX-KRWDZBQOSA-N 2 1 371.529 3.343 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000540573280 503821122 /nfs/dbraw/zinc/82/11/22/503821122.db2.gz VUSULWKASODIKQ-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573280 503821128 /nfs/dbraw/zinc/82/11/28/503821128.db2.gz VUSULWKASODIKQ-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573280 503821133 /nfs/dbraw/zinc/82/11/33/503821133.db2.gz VUSULWKASODIKQ-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCCCC2 ZINC000540595635 503828611 /nfs/dbraw/zinc/82/86/11/503828611.db2.gz CZCNOJSJHZTTGH-RTBURBONSA-N 2 1 350.547 3.349 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCC4)c2)C1 ZINC000517850615 503850466 /nfs/dbraw/zinc/85/04/66/503850466.db2.gz XEABBQHVNCGREF-PMACEKPBSA-N 2 1 355.526 3.196 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543740910 503875010 /nfs/dbraw/zinc/87/50/10/503875010.db2.gz BMQJLFAKMGRPEM-FUHWJXTLSA-N 2 1 358.555 3.345 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000543807386 503899417 /nfs/dbraw/zinc/89/94/17/503899417.db2.gz NSBMYJANTMXGRJ-MRXNPFEDSA-N 2 1 352.276 3.057 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926270 503941167 /nfs/dbraw/zinc/94/11/67/503941167.db2.gz GBVWCUKDPDOBDI-IBGZPJMESA-N 2 1 366.509 3.031 20 0 FGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000530407294 503955367 /nfs/dbraw/zinc/95/53/67/503955367.db2.gz NATHKBAITDSNOW-OAHLLOKOSA-N 2 1 361.511 3.030 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000527812243 503955563 /nfs/dbraw/zinc/95/55/63/503955563.db2.gz VVDOVYWGOOFTCH-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000527812243 503955571 /nfs/dbraw/zinc/95/55/71/503955571.db2.gz VVDOVYWGOOFTCH-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(C)ccc1C ZINC000527822259 503960128 /nfs/dbraw/zinc/96/01/28/503960128.db2.gz PKVAZCUZYZXDSU-HXUWFJFHSA-N 2 1 353.514 3.086 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000540988817 503966507 /nfs/dbraw/zinc/96/65/07/503966507.db2.gz QELLTYXAMYSQGY-CTNGQTDRSA-N 2 1 357.473 3.274 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614846 503975005 /nfs/dbraw/zinc/97/50/05/503975005.db2.gz DUVLNNGWJNMDDA-PBHICJAKSA-N 2 1 356.470 3.110 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614846 503975010 /nfs/dbraw/zinc/97/50/10/503975010.db2.gz DUVLNNGWJNMDDA-PBHICJAKSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614846 503975017 /nfs/dbraw/zinc/97/50/17/503975017.db2.gz DUVLNNGWJNMDDA-PBHICJAKSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614846 503975024 /nfs/dbraw/zinc/97/50/24/503975024.db2.gz DUVLNNGWJNMDDA-PBHICJAKSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000541097383 504006597 /nfs/dbraw/zinc/00/65/97/504006597.db2.gz UVXCELBXBMWTOH-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000541120855 504015720 /nfs/dbraw/zinc/01/57/20/504015720.db2.gz RGNRQKPRRKDLMR-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000518633491 504032910 /nfs/dbraw/zinc/03/29/10/504032910.db2.gz ZLTKERLHUVEGIG-SFHVURJKSA-N 2 1 355.526 3.299 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000518633491 504032913 /nfs/dbraw/zinc/03/29/13/504032913.db2.gz ZLTKERLHUVEGIG-SFHVURJKSA-N 2 1 355.526 3.299 20 0 FGADMP CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547271324 504041770 /nfs/dbraw/zinc/04/17/70/504041770.db2.gz DUBOISDKCYWSEG-INIZCTEOSA-N 2 1 373.360 3.106 20 0 FGADMP CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547271324 504041777 /nfs/dbraw/zinc/04/17/77/504041777.db2.gz DUBOISDKCYWSEG-INIZCTEOSA-N 2 1 373.360 3.106 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000547367963 504078381 /nfs/dbraw/zinc/07/83/81/504078381.db2.gz XSMCCTZKSPJJFH-DLBZAZTESA-N 2 1 371.525 3.161 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000547367963 504078386 /nfs/dbraw/zinc/07/83/86/504078386.db2.gz XSMCCTZKSPJJFH-DLBZAZTESA-N 2 1 371.525 3.161 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)c1 ZINC000528150673 504094350 /nfs/dbraw/zinc/09/43/50/504094350.db2.gz SELVFBABDWTYOX-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528150673 504094354 /nfs/dbraw/zinc/09/43/54/504094354.db2.gz SELVFBABDWTYOX-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528150673 504094360 /nfs/dbraw/zinc/09/43/60/504094360.db2.gz SELVFBABDWTYOX-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000530820700 504096452 /nfs/dbraw/zinc/09/64/52/504096452.db2.gz LKAJGWRDEOLSPM-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000530820700 504096453 /nfs/dbraw/zinc/09/64/53/504096453.db2.gz LKAJGWRDEOLSPM-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000547430122 504103002 /nfs/dbraw/zinc/10/30/02/504103002.db2.gz GTHGJDSSQPNUBP-IBGZPJMESA-N 2 1 361.530 3.069 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000547430122 504103006 /nfs/dbraw/zinc/10/30/06/504103006.db2.gz GTHGJDSSQPNUBP-IBGZPJMESA-N 2 1 361.530 3.069 20 0 FGADMP CC(C)c1nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000544487108 504151883 /nfs/dbraw/zinc/15/18/83/504151883.db2.gz MWYDUGZOSBQPDM-UHFFFAOYSA-N 2 1 350.576 3.116 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538216271 504165572 /nfs/dbraw/zinc/16/55/72/504165572.db2.gz QDDVUKYVENSDRW-IBGZPJMESA-N 2 1 365.949 3.417 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000544622279 504195456 /nfs/dbraw/zinc/19/54/56/504195456.db2.gz WJUPOWAGKKIZRM-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528431379 504221859 /nfs/dbraw/zinc/22/18/59/504221859.db2.gz LXLTUPFZRYHMSS-UHFFFAOYSA-N 2 1 355.885 3.471 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000519571428 504257675 /nfs/dbraw/zinc/25/76/75/504257675.db2.gz QNUVHAPCVSKBKD-GHTZIAJQSA-N 2 1 374.573 3.217 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+]3CCC(C)(C)C3)cc2)C1 ZINC000519574836 504258842 /nfs/dbraw/zinc/25/88/42/504258842.db2.gz STPMKEYWGBTLHR-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)cc2)C1 ZINC000519574836 504258848 /nfs/dbraw/zinc/25/88/48/504258848.db2.gz STPMKEYWGBTLHR-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+]3CCC(C)(C)C3)cc2)C1 ZINC000519574836 504258852 /nfs/dbraw/zinc/25/88/52/504258852.db2.gz STPMKEYWGBTLHR-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000519580968 504260844 /nfs/dbraw/zinc/26/08/44/504260844.db2.gz UCVOFGQCVPFZNO-XXBNENTESA-N 2 1 352.522 3.448 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000531343703 504273920 /nfs/dbraw/zinc/27/39/20/504273920.db2.gz XLPBCNUGQXRIRQ-MRXNPFEDSA-N 2 1 368.905 3.044 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000531343703 504273925 /nfs/dbraw/zinc/27/39/25/504273925.db2.gz XLPBCNUGQXRIRQ-MRXNPFEDSA-N 2 1 368.905 3.044 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541895444 504293810 /nfs/dbraw/zinc/29/38/10/504293810.db2.gz VUMDTNLKUGVXCO-CSODHUTKSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541895444 504293813 /nfs/dbraw/zinc/29/38/13/504293813.db2.gz VUMDTNLKUGVXCO-CSODHUTKSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541895444 504293817 /nfs/dbraw/zinc/29/38/17/504293817.db2.gz VUMDTNLKUGVXCO-CSODHUTKSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541895444 504293822 /nfs/dbraw/zinc/29/38/22/504293822.db2.gz VUMDTNLKUGVXCO-CSODHUTKSA-N 2 1 370.541 3.125 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000542007043 504332790 /nfs/dbraw/zinc/33/27/90/504332790.db2.gz LFWYLWIPQYRQSG-CQSZACIVSA-N 2 1 353.869 3.047 20 0 FGADMP c1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000535086510 504339982 /nfs/dbraw/zinc/33/99/82/504339982.db2.gz AYLDFBVSTQGSBA-CTNGQTDRSA-N 2 1 358.526 3.389 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)CC2 ZINC000531677272 504390246 /nfs/dbraw/zinc/39/02/46/504390246.db2.gz DJBDWKHXOHJVLO-UXHICEINSA-N 2 1 371.550 3.322 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC12CC2 ZINC000528803236 504390344 /nfs/dbraw/zinc/39/03/44/504390344.db2.gz YZGYREBMVNXBHG-HXUWFJFHSA-N 2 1 361.574 3.221 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@@H](O)C5(CC5)C4)cc3)nc12 ZINC000548317266 504397139 /nfs/dbraw/zinc/39/71/39/504397139.db2.gz LIEDMDGSLGDWMY-HXUWFJFHSA-N 2 1 363.461 3.178 20 0 FGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531723267 504403562 /nfs/dbraw/zinc/40/35/62/504403562.db2.gz PBPFJTYENBDANG-PGRDOPGGSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531723267 504403568 /nfs/dbraw/zinc/40/35/68/504403568.db2.gz PBPFJTYENBDANG-PGRDOPGGSA-N 2 1 356.485 3.373 20 0 FGADMP C[N@@H+](CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCCCC1 ZINC000548388035 504426354 /nfs/dbraw/zinc/42/63/54/504426354.db2.gz KSGNUHARIGOGRU-UHFFFAOYSA-N 2 1 371.569 3.464 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192374 504430947 /nfs/dbraw/zinc/43/09/47/504430947.db2.gz OYCSAFZQFJMLJG-XLIONFOSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCOCC1 ZINC000531940004 504481907 /nfs/dbraw/zinc/48/19/07/504481907.db2.gz LITBUYRIUFECNS-FGZHOGPDSA-N 2 1 359.558 3.160 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000520379655 504483951 /nfs/dbraw/zinc/48/39/51/504483951.db2.gz ITKZNYYNHDBCLB-HXUWFJFHSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000520379655 504483954 /nfs/dbraw/zinc/48/39/54/504483954.db2.gz ITKZNYYNHDBCLB-HXUWFJFHSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000520379655 504483957 /nfs/dbraw/zinc/48/39/57/504483957.db2.gz ITKZNYYNHDBCLB-HXUWFJFHSA-N 2 1 360.546 3.200 20 0 FGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)c1 ZINC000531963446 504487793 /nfs/dbraw/zinc/48/77/93/504487793.db2.gz SRHXKLTUGHTJSY-QGZVFWFLSA-N 2 1 371.554 3.009 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)c1 ZINC000531963446 504487798 /nfs/dbraw/zinc/48/77/98/504487798.db2.gz SRHXKLTUGHTJSY-QGZVFWFLSA-N 2 1 371.554 3.009 20 0 FGADMP Cc1ccc(C)c(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000539150276 504488566 /nfs/dbraw/zinc/48/85/66/504488566.db2.gz XFJIWXRTIVFSPR-WOJBJXKFSA-N 2 1 360.542 3.394 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520403304 504491171 /nfs/dbraw/zinc/49/11/71/504491171.db2.gz TVICNOXUAIJBGH-IEBWSBKVSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520403304 504491176 /nfs/dbraw/zinc/49/11/76/504491176.db2.gz TVICNOXUAIJBGH-IEBWSBKVSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454713 504495075 /nfs/dbraw/zinc/49/50/75/504495075.db2.gz MWJLLOKPZZFAPZ-XLIONFOSSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454713 504495079 /nfs/dbraw/zinc/49/50/79/504495079.db2.gz MWJLLOKPZZFAPZ-XLIONFOSSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000520577840 504532461 /nfs/dbraw/zinc/53/24/61/504532461.db2.gz DGIGSUVQOGEJMY-DLBZAZTESA-N 2 1 360.546 3.376 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+]1CCCC1 ZINC000520614123 504540786 /nfs/dbraw/zinc/54/07/86/504540786.db2.gz SZVUNLSTQRJHSL-OAQYLSRUSA-N 2 1 374.573 3.446 20 0 FGADMP COc1ccc([C@@H](C)C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000539381633 504548976 /nfs/dbraw/zinc/54/89/76/504548976.db2.gz JNVXDXJWZXGQTP-PXNSSMCTSA-N 2 1 373.566 3.439 20 0 FGADMP COc1ccccc1C[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187396 504566535 /nfs/dbraw/zinc/56/65/35/504566535.db2.gz BUWCQAIJVUKIHI-PKOBYXMFSA-N 2 1 373.566 3.266 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000520782532 504580783 /nfs/dbraw/zinc/58/07/83/504580783.db2.gz SVTUTAUASGLRNM-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP CCC(CC)(CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539474211 504583526 /nfs/dbraw/zinc/58/35/26/504583526.db2.gz IWIFKXUMPQSSDA-GOSISDBHSA-N 2 1 372.557 3.457 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CCCC2)CC1 ZINC000539495513 504590758 /nfs/dbraw/zinc/59/07/58/504590758.db2.gz VEQVDRMADNDTFK-OTWHNJEPSA-N 2 1 350.547 3.203 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000542851499 504635169 /nfs/dbraw/zinc/63/51/69/504635169.db2.gz INTXEGDSKUYZGA-PMACEKPBSA-N 2 1 357.473 3.418 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000542851499 504635176 /nfs/dbraw/zinc/63/51/76/504635176.db2.gz INTXEGDSKUYZGA-PMACEKPBSA-N 2 1 357.473 3.418 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000529360031 504645274 /nfs/dbraw/zinc/64/52/74/504645274.db2.gz SCERPFHBTPVLMJ-MISYRCLQSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000521167212 504666919 /nfs/dbraw/zinc/66/69/19/504666919.db2.gz HCOICWPOUIJIML-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505483 504674401 /nfs/dbraw/zinc/67/44/01/504674401.db2.gz DKIJRVVVFHDJAL-CHWSQXEVSA-N 2 1 361.349 3.398 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532517010 504679708 /nfs/dbraw/zinc/67/97/08/504679708.db2.gz JQMQFYQQSFZTEB-GOTSBHOMSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532517010 504679712 /nfs/dbraw/zinc/67/97/12/504679712.db2.gz JQMQFYQQSFZTEB-GOTSBHOMSA-N 2 1 366.505 3.299 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529498674 504699814 /nfs/dbraw/zinc/69/98/14/504699814.db2.gz MNZBCTYEDZTIGX-CTWPCTMYSA-N 2 1 363.933 3.293 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529498674 504699819 /nfs/dbraw/zinc/69/98/19/504699819.db2.gz MNZBCTYEDZTIGX-CTWPCTMYSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825903 504705341 /nfs/dbraw/zinc/70/53/41/504705341.db2.gz VYJVWDNHUHAFHI-KRWDZBQOSA-N 2 1 355.530 3.445 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000532741698 504749529 /nfs/dbraw/zinc/74/95/29/504749529.db2.gz AVXUTWAAMNKZRX-UHFFFAOYSA-N 2 1 370.516 3.364 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000549261200 504776444 /nfs/dbraw/zinc/77/64/44/504776444.db2.gz JTEOQUNDJLJHJD-SFTDATJTSA-N 2 1 374.569 3.302 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000556104784 504797871 /nfs/dbraw/zinc/79/78/71/504797871.db2.gz LDJHIQACLMXXKT-CBPXPLCBSA-N 2 1 357.542 3.055 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000556104784 504797874 /nfs/dbraw/zinc/79/78/74/504797874.db2.gz LDJHIQACLMXXKT-CBPXPLCBSA-N 2 1 357.542 3.055 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCC2)CC1 ZINC000559256185 504810810 /nfs/dbraw/zinc/81/08/10/504810810.db2.gz IZMJQDCBUNZVIT-QFIPXVFZSA-N 2 1 369.553 3.233 20 0 FGADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000559256185 504810815 /nfs/dbraw/zinc/81/08/15/504810815.db2.gz IZMJQDCBUNZVIT-QFIPXVFZSA-N 2 1 369.553 3.233 20 0 FGADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000559256185 504810821 /nfs/dbraw/zinc/81/08/21/504810821.db2.gz IZMJQDCBUNZVIT-QFIPXVFZSA-N 2 1 369.553 3.233 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553048474 504813407 /nfs/dbraw/zinc/81/34/07/504813407.db2.gz MWQSWYBASSKLBD-HXUWFJFHSA-N 2 1 355.526 3.419 20 0 FGADMP CCc1nc(C)c(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000565194889 504822716 /nfs/dbraw/zinc/82/27/16/504822716.db2.gz LHAJMTMYEUZUCD-UHFFFAOYSA-N 2 1 364.559 3.149 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270138 504832562 /nfs/dbraw/zinc/83/25/62/504832562.db2.gz ZVYIWHXRMUDYMG-MIUGBVLSSA-N 2 1 368.525 3.102 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356104 504863838 /nfs/dbraw/zinc/86/38/38/504863838.db2.gz TYOJBJWJYZLIDO-RBBKRZOGSA-N 2 1 358.526 3.408 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000549646676 504866993 /nfs/dbraw/zinc/86/69/93/504866993.db2.gz IKVYHMFMLKXURH-ICSRJNTNSA-N 2 1 369.553 3.278 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@]4(C3)CCC[NH+](C)C4)CC2)c1 ZINC000549840427 504912602 /nfs/dbraw/zinc/91/26/02/504912602.db2.gz XWQBTHMEZGAGFZ-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@]4(C3)CCC[N@H+](C)C4)CC2)c1 ZINC000549840427 504912605 /nfs/dbraw/zinc/91/26/05/504912605.db2.gz XWQBTHMEZGAGFZ-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@]4(C3)CCC[N@@H+](C)C4)CC2)c1 ZINC000549840427 504912608 /nfs/dbraw/zinc/91/26/08/504912608.db2.gz XWQBTHMEZGAGFZ-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732274 504918536 /nfs/dbraw/zinc/91/85/36/504918536.db2.gz FKDSTQSCDWRBBA-YADHBBJMSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732274 504918542 /nfs/dbraw/zinc/91/85/42/504918542.db2.gz FKDSTQSCDWRBBA-YADHBBJMSA-N 2 1 361.493 3.252 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599112 504934110 /nfs/dbraw/zinc/93/41/10/504934110.db2.gz KOHPGCZEHJGYKZ-GHTZIAJQSA-N 2 1 365.521 3.484 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599112 504934113 /nfs/dbraw/zinc/93/41/13/504934113.db2.gz KOHPGCZEHJGYKZ-GHTZIAJQSA-N 2 1 365.521 3.484 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1n1cccn1 ZINC000559925330 504951829 /nfs/dbraw/zinc/95/18/29/504951829.db2.gz VYMZBKRWJVJUFR-AOIWZFSPSA-N 2 1 368.525 3.102 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1n1cccn1 ZINC000559925330 504951832 /nfs/dbraw/zinc/95/18/32/504951832.db2.gz VYMZBKRWJVJUFR-AOIWZFSPSA-N 2 1 368.525 3.102 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212248 504993344 /nfs/dbraw/zinc/99/33/44/504993344.db2.gz VXGKJOKTZITLOU-WIYYLYMNSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212248 504993345 /nfs/dbraw/zinc/99/33/45/504993345.db2.gz VXGKJOKTZITLOU-WIYYLYMNSA-N 2 1 369.484 3.034 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238381 504999548 /nfs/dbraw/zinc/99/95/48/504999548.db2.gz CYFLTURBGBUFRW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238381 504999552 /nfs/dbraw/zinc/99/95/52/504999552.db2.gz CYFLTURBGBUFRW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238381 504999553 /nfs/dbraw/zinc/99/95/53/504999553.db2.gz CYFLTURBGBUFRW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238381 504999558 /nfs/dbraw/zinc/99/95/58/504999558.db2.gz CYFLTURBGBUFRW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@H]([NH2+]CCNc1ncc(C(F)(F)F)cc1Cl)c1c[nH+]ccc1N ZINC000562958603 505000657 /nfs/dbraw/zinc/00/06/57/505000657.db2.gz BHIKFTMLEIORNY-VIFPVBQESA-N 2 1 359.783 3.324 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000550244591 505001307 /nfs/dbraw/zinc/00/13/07/505001307.db2.gz KQYHAACJDSKOSK-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550244591 505001309 /nfs/dbraw/zinc/00/13/09/505001309.db2.gz KQYHAACJDSKOSK-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550244591 505001312 /nfs/dbraw/zinc/00/13/12/505001312.db2.gz KQYHAACJDSKOSK-JOCHJYFZSA-N 2 1 369.553 3.376 20 0 FGADMP COCC[N@@H+](C)CCCN[C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002100 /nfs/dbraw/zinc/00/21/00/505002100.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002102 /nfs/dbraw/zinc/00/21/02/505002102.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002105 /nfs/dbraw/zinc/00/21/05/505002105.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002108 /nfs/dbraw/zinc/00/21/08/505002108.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002111 /nfs/dbraw/zinc/00/21/11/505002111.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002113 /nfs/dbraw/zinc/00/21/13/505002113.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556874129 505002115 /nfs/dbraw/zinc/00/21/15/505002115.db2.gz WMRFDQJEDAQCHY-DNVJHFABSA-N 3 1 373.585 3.235 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886894 505006688 /nfs/dbraw/zinc/00/66/88/505006688.db2.gz PUONXEXFERFYTF-FGTMMUONSA-N 2 1 356.514 3.270 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553777734 505007127 /nfs/dbraw/zinc/00/71/27/505007127.db2.gz HFBDFWOEKSGTIA-RXVVDRJESA-N 2 1 372.557 3.295 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)Cc3ccccc3)CC2)cs1 ZINC000562993723 505013308 /nfs/dbraw/zinc/01/33/08/505013308.db2.gz MWCZJMCSHPUYMG-FQEVSTJZSA-N 2 1 373.566 3.111 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000556933023 505022508 /nfs/dbraw/zinc/02/25/08/505022508.db2.gz GSUQNMGPBBLSBR-JOCHJYFZSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000556933023 505022511 /nfs/dbraw/zinc/02/25/11/505022511.db2.gz GSUQNMGPBBLSBR-JOCHJYFZSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933023 505022513 /nfs/dbraw/zinc/02/25/13/505022513.db2.gz GSUQNMGPBBLSBR-JOCHJYFZSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000556933023 505022517 /nfs/dbraw/zinc/02/25/17/505022517.db2.gz GSUQNMGPBBLSBR-JOCHJYFZSA-N 2 1 352.526 3.466 20 0 FGADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H]1Oc1ccccc1 ZINC000560245079 505027617 /nfs/dbraw/zinc/02/76/17/505027617.db2.gz GVUAAOYOJJEFCY-WOJBJXKFSA-N 2 1 358.526 3.467 20 0 FGADMP CC1(C)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1Oc1ccccc1 ZINC000560245073 505027679 /nfs/dbraw/zinc/02/76/79/505027679.db2.gz GVUAAOYOJJEFCY-UXHICEINSA-N 2 1 358.526 3.467 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000557038905 505050058 /nfs/dbraw/zinc/05/00/58/505050058.db2.gz OSLFCTQIUXBWLD-CQSZACIVSA-N 2 1 362.493 3.103 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005004 505052593 /nfs/dbraw/zinc/05/25/93/505052593.db2.gz NSJFYWUJLNRIMR-FQEVSTJZSA-N 2 1 374.475 3.163 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005004 505052599 /nfs/dbraw/zinc/05/25/99/505052599.db2.gz NSJFYWUJLNRIMR-FQEVSTJZSA-N 2 1 374.475 3.163 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550621731 505074454 /nfs/dbraw/zinc/07/44/54/505074454.db2.gz FKJDPWRONCTAAP-NHCUHLMSSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550621731 505074456 /nfs/dbraw/zinc/07/44/56/505074456.db2.gz FKJDPWRONCTAAP-NHCUHLMSSA-N 2 1 372.534 3.156 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1 ZINC000563211202 505077121 /nfs/dbraw/zinc/07/71/21/505077121.db2.gz QCUGLFOCOSNWHZ-IBGZPJMESA-N 2 1 366.509 3.382 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1cccs1 ZINC000550665144 505082027 /nfs/dbraw/zinc/08/20/27/505082027.db2.gz DVPQKVSIINVRHI-RDTXWAMCSA-N 2 1 354.479 3.209 20 0 FGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)c2ccccc21 ZINC000566104059 505082257 /nfs/dbraw/zinc/08/22/57/505082257.db2.gz YTOYMQHKSHEVIB-CYBMUJFWSA-N 2 1 353.445 3.415 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000566151327 505098820 /nfs/dbraw/zinc/09/88/20/505098820.db2.gz WPSGHIUVUJCBOH-GOSISDBHSA-N 2 1 363.505 3.061 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCO1 ZINC000563300011 505101218 /nfs/dbraw/zinc/10/12/18/505101218.db2.gz ABLMWMQYJISVSS-TYPHKJRUSA-N 2 1 358.526 3.072 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000557279442 505103663 /nfs/dbraw/zinc/10/36/63/505103663.db2.gz HXNJFQJSAQGHQG-OAQYLSRUSA-N 2 1 358.526 3.011 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1F ZINC000566242601 505121819 /nfs/dbraw/zinc/12/18/19/505121819.db2.gz CXTSZMDGOVDCHN-FQEVSTJZSA-N 2 1 358.461 3.192 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(O)cc3C)CC2)CC1 ZINC000563393485 505131091 /nfs/dbraw/zinc/13/10/91/505131091.db2.gz HEVFNQAUTRZDKW-UHFFFAOYSA-N 2 1 359.514 3.144 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000566299184 505138054 /nfs/dbraw/zinc/13/80/54/505138054.db2.gz UHKBVUFLEAHURC-BWPNAZKDSA-N 2 1 359.558 3.283 20 0 FGADMP O=S(=O)(CC[NH2+]Cc1ccccc1CN1CCCCC1)c1ccccc1 ZINC000551003324 505140397 /nfs/dbraw/zinc/14/03/97/505140397.db2.gz XRAQIMXOMOVUNM-UHFFFAOYSA-N 2 1 372.534 3.236 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000554318322 505143828 /nfs/dbraw/zinc/14/38/28/505143828.db2.gz XHVTZGIOXJVOJY-IYBDPMFKSA-N 2 1 351.922 3.446 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000554318322 505143833 /nfs/dbraw/zinc/14/38/33/505143833.db2.gz XHVTZGIOXJVOJY-IYBDPMFKSA-N 2 1 351.922 3.446 20 0 FGADMP CC(C)C[C@@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000560729546 505172096 /nfs/dbraw/zinc/17/20/96/505172096.db2.gz GLLSSRGESBUKRP-LJQANCHMSA-N 2 1 359.558 3.381 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(C)C)CC3)CC2)CC1 ZINC000557618687 505183771 /nfs/dbraw/zinc/18/37/71/505183771.db2.gz QWWQVOJVSNSVNL-LJQANCHMSA-N 2 1 363.590 3.467 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H](N[C@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614384 505223275 /nfs/dbraw/zinc/22/32/75/505223275.db2.gz NXIVUXJISGLTSH-USCONSEESA-N 2 1 367.493 3.013 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N[C@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614384 505223281 /nfs/dbraw/zinc/22/32/81/505223281.db2.gz NXIVUXJISGLTSH-USCONSEESA-N 2 1 367.493 3.013 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242711 /nfs/dbraw/zinc/24/27/11/505242711.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242718 /nfs/dbraw/zinc/24/27/18/505242718.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000561070194 505242723 /nfs/dbraw/zinc/24/27/23/505242723.db2.gz NEPSHCSPLDLBCQ-YPAWHYETSA-N 2 1 368.606 3.226 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000557837737 505243345 /nfs/dbraw/zinc/24/33/45/505243345.db2.gz WPVIWTXDCUFJAH-UGKGYDQZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837737 505243349 /nfs/dbraw/zinc/24/33/49/505243349.db2.gz WPVIWTXDCUFJAH-UGKGYDQZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837737 505243353 /nfs/dbraw/zinc/24/33/53/505243353.db2.gz WPVIWTXDCUFJAH-UGKGYDQZSA-N 2 1 369.553 3.374 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1Br ZINC000566795485 505274836 /nfs/dbraw/zinc/27/48/36/505274836.db2.gz PJEZPWYQSWOALL-UHFFFAOYSA-N 2 1 368.319 3.229 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)cn1C ZINC000554858688 505282719 /nfs/dbraw/zinc/28/27/19/505282719.db2.gz UJEBBXGJOFKHBN-KRWDZBQOSA-N 2 1 369.509 3.333 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc2ccc(F)cc12 ZINC000566857024 505292434 /nfs/dbraw/zinc/29/24/34/505292434.db2.gz NBMZZOYPOGEGFM-MRXNPFEDSA-N 2 1 361.461 3.060 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000563985703 505294782 /nfs/dbraw/zinc/29/47/82/505294782.db2.gz BHHPKNLQODYEEC-NHCUHLMSSA-N 2 1 370.541 3.021 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H](O)C(C)(C)C)CC2)c1C ZINC000558054926 505297203 /nfs/dbraw/zinc/29/72/03/505297203.db2.gz UKDVPJBPVKKMTG-LJQANCHMSA-N 2 1 363.546 3.010 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H](O)C(C)(C)C)CC2)c1C ZINC000558054926 505297208 /nfs/dbraw/zinc/29/72/08/505297208.db2.gz UKDVPJBPVKKMTG-LJQANCHMSA-N 2 1 363.546 3.010 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309542 505311125 /nfs/dbraw/zinc/31/11/25/505311125.db2.gz NOEQJZYPYRCIIV-BHIFYINESA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309542 505311129 /nfs/dbraw/zinc/31/11/29/505311129.db2.gz NOEQJZYPYRCIIV-BHIFYINESA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1c1ccccc1 ZINC000561309542 505311134 /nfs/dbraw/zinc/31/11/34/505311134.db2.gz NOEQJZYPYRCIIV-BHIFYINESA-N 2 1 363.505 3.070 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000551908427 505339640 /nfs/dbraw/zinc/33/96/40/505339640.db2.gz QTFLQYQFLCJECR-QZTJIDSGSA-N 2 1 357.542 3.405 20 0 FGADMP CCc1nn(C)c(OC)c1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567048016 505348566 /nfs/dbraw/zinc/34/85/66/505348566.db2.gz HBTQWSODJAUUJC-SFHVURJKSA-N 2 1 368.525 3.278 20 0 FGADMP CCc1nn(C)c(OC)c1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567048016 505348571 /nfs/dbraw/zinc/34/85/71/505348571.db2.gz HBTQWSODJAUUJC-SFHVURJKSA-N 2 1 368.525 3.278 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552043958 505380535 /nfs/dbraw/zinc/38/05/35/505380535.db2.gz IERNONIFXQDNEQ-GBESFXJTSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552043958 505380537 /nfs/dbraw/zinc/38/05/37/505380537.db2.gz IERNONIFXQDNEQ-GBESFXJTSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H]2CCC[C@H]21 ZINC000552043958 505380539 /nfs/dbraw/zinc/38/05/39/505380539.db2.gz IERNONIFXQDNEQ-GBESFXJTSA-N 2 1 351.604 3.201 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000564315660 505381328 /nfs/dbraw/zinc/38/13/28/505381328.db2.gz PYFNXCQFCJUCEJ-PZJWPPBQSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000564315660 505381333 /nfs/dbraw/zinc/38/13/33/505381333.db2.gz PYFNXCQFCJUCEJ-PZJWPPBQSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000564315660 505381335 /nfs/dbraw/zinc/38/13/35/505381335.db2.gz PYFNXCQFCJUCEJ-PZJWPPBQSA-N 2 1 374.573 3.269 20 0 FGADMP CC[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000564447595 505422311 /nfs/dbraw/zinc/42/23/11/505422311.db2.gz IZNMDYUWFRPTGD-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(Cc3ccccn3)CC2)c1 ZINC000555419821 505428645 /nfs/dbraw/zinc/42/86/45/505428645.db2.gz HQQXACDHWZVABU-UHFFFAOYSA-N 2 1 352.526 3.288 20 0 FGADMP O=C(C[NH2+]Cc1cc(Cl)cc(Cl)c1)NCC[NH+]1CCCCCC1 ZINC000552279323 505449239 /nfs/dbraw/zinc/44/92/39/505449239.db2.gz AJHZBHAMACMTPB-UHFFFAOYSA-N 2 1 358.313 3.075 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000555548751 505454199 /nfs/dbraw/zinc/45/41/99/505454199.db2.gz MGEOMQCAOWXJKY-NRFANRHFSA-N 2 1 371.569 3.418 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000555548751 505454202 /nfs/dbraw/zinc/45/42/02/505454202.db2.gz MGEOMQCAOWXJKY-NRFANRHFSA-N 2 1 371.569 3.418 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000555548751 505454207 /nfs/dbraw/zinc/45/42/07/505454207.db2.gz MGEOMQCAOWXJKY-NRFANRHFSA-N 2 1 371.569 3.418 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597521 505468193 /nfs/dbraw/zinc/46/81/93/505468193.db2.gz JMUCXPLSZFVPNV-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597521 505468198 /nfs/dbraw/zinc/46/81/98/505468198.db2.gz JMUCXPLSZFVPNV-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597521 505468204 /nfs/dbraw/zinc/46/82/04/505468204.db2.gz JMUCXPLSZFVPNV-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597521 505468209 /nfs/dbraw/zinc/46/82/09/505468209.db2.gz JMUCXPLSZFVPNV-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561953248 505477005 /nfs/dbraw/zinc/47/70/05/505477005.db2.gz NHJNDDCAMNWKJA-BNDYYXHWSA-N 2 1 357.542 3.276 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@@H]21 ZINC000564728490 505504870 /nfs/dbraw/zinc/50/48/70/505504870.db2.gz BLPIOGNIOLNHQZ-AEGPPILISA-N 2 1 366.387 3.315 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@@H]21 ZINC000564728490 505504875 /nfs/dbraw/zinc/50/48/75/505504875.db2.gz BLPIOGNIOLNHQZ-AEGPPILISA-N 2 1 366.387 3.315 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000562138647 505526898 /nfs/dbraw/zinc/52/68/98/505526898.db2.gz FFWMZPJBPZWXKP-HBFSDRIKSA-N 2 1 360.546 3.016 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000564825712 505530268 /nfs/dbraw/zinc/53/02/68/505530268.db2.gz DPZDHQXYSHISGZ-XOYOTBSWSA-N 2 1 371.550 3.258 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c2ccccc21 ZINC000564825636 505530806 /nfs/dbraw/zinc/53/08/06/505530806.db2.gz YYQNUURBNUOVAS-QHAWAJNXSA-N 2 1 371.912 3.448 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671113 505530840 /nfs/dbraw/zinc/53/08/40/505530840.db2.gz LUFYETKRURJIBS-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671113 505530842 /nfs/dbraw/zinc/53/08/42/505530842.db2.gz LUFYETKRURJIBS-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671113 505530843 /nfs/dbraw/zinc/53/08/43/505530843.db2.gz LUFYETKRURJIBS-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564828585 505531551 /nfs/dbraw/zinc/53/15/51/505531551.db2.gz UJXRILWGGZZGHT-OXQOHEQNSA-N 2 1 364.555 3.443 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC[C@H](O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000567706552 505544415 /nfs/dbraw/zinc/54/44/15/505544415.db2.gz WBHUBIHCDFRIKX-GMAHTHKFSA-N 2 1 365.521 3.067 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000567731122 505551788 /nfs/dbraw/zinc/55/17/88/505551788.db2.gz CRZQUJBKABELLU-XUVXKRRUSA-N 2 1 373.541 3.113 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000567731122 505551792 /nfs/dbraw/zinc/55/17/92/505551792.db2.gz CRZQUJBKABELLU-XUVXKRRUSA-N 2 1 373.541 3.113 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000567817474 505565696 /nfs/dbraw/zinc/56/56/96/505565696.db2.gz SKCSHRKZTFGFRS-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1cccnc1 ZINC000608061145 506402783 /nfs/dbraw/zinc/40/27/83/506402783.db2.gz AKAKICCLWBBBMI-LPHOPBHVSA-N 2 1 355.482 3.242 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1cccnc1 ZINC000608061145 506402786 /nfs/dbraw/zinc/40/27/86/506402786.db2.gz AKAKICCLWBBBMI-LPHOPBHVSA-N 2 1 355.482 3.242 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000599312992 506407562 /nfs/dbraw/zinc/40/75/62/506407562.db2.gz XQMNDPDYAASGTE-AQNXPRMDSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000599312992 506407566 /nfs/dbraw/zinc/40/75/66/506407566.db2.gz XQMNDPDYAASGTE-AQNXPRMDSA-N 2 1 371.569 3.308 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000582845104 506451440 /nfs/dbraw/zinc/45/14/40/506451440.db2.gz GNZCCTIIGMUKDJ-CVEARBPZSA-N 2 1 373.722 3.431 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000589203518 506483760 /nfs/dbraw/zinc/48/37/60/506483760.db2.gz LYHSHWROLGIMBJ-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000608301995 506499091 /nfs/dbraw/zinc/49/90/91/506499091.db2.gz BZKHLQOYPQXWGQ-YQQQUEKLSA-N 2 1 374.529 3.154 20 0 FGADMP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000589262857 506501139 /nfs/dbraw/zinc/50/11/39/506501139.db2.gz XSZMZEHQVMTMPW-CQSZACIVSA-N 2 1 369.387 3.355 20 0 FGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000589262857 506501148 /nfs/dbraw/zinc/50/11/48/506501148.db2.gz XSZMZEHQVMTMPW-CQSZACIVSA-N 2 1 369.387 3.355 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000582972056 506517262 /nfs/dbraw/zinc/51/72/62/506517262.db2.gz CEQGPLHYQQVOGQ-DYESRHJHSA-N 2 1 351.494 3.270 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)C1 ZINC000608500658 506589328 /nfs/dbraw/zinc/58/93/28/506589328.db2.gz QGKVMERACPHEFG-ROUUACIJSA-N 2 1 357.542 3.265 20 0 FGADMP Cc1sc2nc(C)nc(N(C)[C@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c1C ZINC000603927402 506661308 /nfs/dbraw/zinc/66/13/08/506661308.db2.gz GNWFEEDVAJOXSX-KRWDZBQOSA-N 2 1 373.570 3.221 20 0 FGADMP Cc1sc2nc(C)nc(N(C)[C@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c1C ZINC000603927402 506661313 /nfs/dbraw/zinc/66/13/13/506661313.db2.gz GNWFEEDVAJOXSX-KRWDZBQOSA-N 2 1 373.570 3.221 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688416 506665368 /nfs/dbraw/zinc/66/53/68/506665368.db2.gz IZSXOWCBIOPRFL-WOJBJXKFSA-N 2 1 374.573 3.269 20 0 FGADMP CCc1ccc([C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000589947526 506685127 /nfs/dbraw/zinc/68/51/27/506685127.db2.gz KMJHRDQACDBTIE-RXVVDRJESA-N 2 1 359.558 3.227 20 0 FGADMP O[C@@]1(C[NH2+]CCc2ccc(F)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000583328021 506719174 /nfs/dbraw/zinc/71/91/74/506719174.db2.gz OYWHVPQIUSKHAV-HXUWFJFHSA-N 2 1 362.876 3.248 20 0 FGADMP O[C@@]1(C[NH2+]CCc2ccc(F)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000583328021 506719176 /nfs/dbraw/zinc/71/91/76/506719176.db2.gz OYWHVPQIUSKHAV-HXUWFJFHSA-N 2 1 362.876 3.248 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189278 506743814 /nfs/dbraw/zinc/74/38/14/506743814.db2.gz XNQVDVMIHDWUHH-UYAOXDASSA-N 2 1 360.546 3.243 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604199990 506748836 /nfs/dbraw/zinc/74/88/36/506748836.db2.gz UIGRTNHVMIMYOD-HXUWFJFHSA-N 2 1 360.546 3.245 20 0 FGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc(C(C)(C)C)c3)CC2)C1 ZINC000604388507 506814315 /nfs/dbraw/zinc/81/43/15/506814315.db2.gz DQGCNQROZICQCZ-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc(C(C)(C)C)c3)CC2)C1 ZINC000604388507 506814319 /nfs/dbraw/zinc/81/43/19/506814319.db2.gz DQGCNQROZICQCZ-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP COC(=O)c1ccc(Cl)c(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000597255327 506864184 /nfs/dbraw/zinc/86/41/84/506864184.db2.gz HYOFCYJBUZXXNT-HNNXBMFYSA-N 2 1 350.890 3.338 20 0 FGADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017275 506866337 /nfs/dbraw/zinc/86/63/37/506866337.db2.gz IMJSXJSBVZHKOT-YADHBBJMSA-N 2 1 363.505 3.169 20 0 FGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017275 506866339 /nfs/dbraw/zinc/86/63/39/506866339.db2.gz IMJSXJSBVZHKOT-YADHBBJMSA-N 2 1 363.505 3.169 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)CC1 ZINC000590786509 506955435 /nfs/dbraw/zinc/95/54/35/506955435.db2.gz FMRODTYNCWIIPJ-MOPGFXCFSA-N 2 1 359.558 3.347 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@@H]2C)CC1 ZINC000590787017 506957863 /nfs/dbraw/zinc/95/78/63/506957863.db2.gz QPGHUPIUHZBUAO-SFHVURJKSA-N 2 1 357.542 3.407 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)c1ccco1 ZINC000594296375 507068635 /nfs/dbraw/zinc/06/86/35/507068635.db2.gz RVMFUDQOEKFBNZ-FGTMMUONSA-N 2 1 364.534 3.225 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584042153 507118911 /nfs/dbraw/zinc/11/89/11/507118911.db2.gz DQFPGWFDSKBDRI-OPYAIIAOSA-N 2 1 372.557 3.235 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000600831855 507140888 /nfs/dbraw/zinc/14/08/88/507140888.db2.gz HCPDBMFDGDUYHB-UXHICEINSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000600843075 507144153 /nfs/dbraw/zinc/14/41/53/507144153.db2.gz YPNJXALKHOQZRA-QFBILLFUSA-N 2 1 374.554 3.171 20 0 FGADMP C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000600843738 507144674 /nfs/dbraw/zinc/14/46/74/507144674.db2.gz CANOKINFZPXUER-VAMGGRTRSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000600843738 507144692 /nfs/dbraw/zinc/14/46/92/507144692.db2.gz CANOKINFZPXUER-VAMGGRTRSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000600843738 507144702 /nfs/dbraw/zinc/14/47/02/507144702.db2.gz CANOKINFZPXUER-VAMGGRTRSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000600843738 507144711 /nfs/dbraw/zinc/14/47/11/507144711.db2.gz CANOKINFZPXUER-VAMGGRTRSA-N 2 1 372.557 3.165 20 0 FGADMP CSCc1cc(F)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594495832 507155926 /nfs/dbraw/zinc/15/59/26/507155926.db2.gz DAYWHMFLKUTXGC-LJQANCHMSA-N 2 1 352.519 3.422 20 0 FGADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000605374243 507164423 /nfs/dbraw/zinc/16/44/23/507164423.db2.gz SQXAHKKCIFZTBS-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1Br ZINC000584121510 507165008 /nfs/dbraw/zinc/16/50/08/507165008.db2.gz OHSFPIXQACRIHI-GFCCVEGCSA-N 2 1 352.276 3.475 20 0 FGADMP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000601016921 507228703 /nfs/dbraw/zinc/22/87/03/507228703.db2.gz URTLNWRCALQRNX-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000601016921 507228711 /nfs/dbraw/zinc/22/87/11/507228711.db2.gz URTLNWRCALQRNX-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000601016921 507228717 /nfs/dbraw/zinc/22/87/17/507228717.db2.gz URTLNWRCALQRNX-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000601016921 507228723 /nfs/dbraw/zinc/22/87/23/507228723.db2.gz URTLNWRCALQRNX-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2CCCC[C@@H]2CC)CC1 ZINC000605988037 507319711 /nfs/dbraw/zinc/31/97/11/507319711.db2.gz JYKIADXACFPJSY-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)CC1 ZINC000605988037 507319718 /nfs/dbraw/zinc/31/97/18/507319718.db2.gz JYKIADXACFPJSY-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000605988037 507319722 /nfs/dbraw/zinc/31/97/22/507319722.db2.gz JYKIADXACFPJSY-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000601296288 507326142 /nfs/dbraw/zinc/32/61/42/507326142.db2.gz IZQZKHYJTSBMRE-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCC[NH+](C)C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000601296288 507326146 /nfs/dbraw/zinc/32/61/46/507326146.db2.gz IZQZKHYJTSBMRE-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCC[NH+](C)C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000601296288 507326150 /nfs/dbraw/zinc/32/61/50/507326150.db2.gz IZQZKHYJTSBMRE-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CSCCF)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000595007474 507352100 /nfs/dbraw/zinc/35/21/00/507352100.db2.gz OECPRKLYLZSMFM-IEBWSBKVSA-N 2 1 353.551 3.046 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015365 507355663 /nfs/dbraw/zinc/35/56/63/507355663.db2.gz CQTTUJQKKRONGT-MLGOLLRUSA-N 2 1 370.278 3.210 20 0 FGADMP CC(C)C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(=O)OC(C)(C)C ZINC000595095467 507388557 /nfs/dbraw/zinc/38/85/57/507388557.db2.gz PAUVPFMGJCLQTP-HKUYNNGSSA-N 2 1 368.562 3.223 20 0 FGADMP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623232 507455611 /nfs/dbraw/zinc/45/56/11/507455611.db2.gz DKYCXPINIZYREW-RXVVDRJESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660222 507471685 /nfs/dbraw/zinc/47/16/85/507471685.db2.gz YEPXZIVGPJFHGM-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606702066 507488073 /nfs/dbraw/zinc/48/80/73/507488073.db2.gz PFPMLCAEIVBDMF-SFHVURJKSA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000584782112 507501275 /nfs/dbraw/zinc/50/12/75/507501275.db2.gz LJJQCBNYGVGRSB-UHFFFAOYSA-N 2 1 368.312 3.396 20 0 FGADMP C[N@@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000607358489 507698866 /nfs/dbraw/zinc/69/88/66/507698866.db2.gz NLKBPERSSBANLM-OALUTQOASA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000607358489 507698870 /nfs/dbraw/zinc/69/88/70/507698870.db2.gz NLKBPERSSBANLM-OALUTQOASA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358489 507698876 /nfs/dbraw/zinc/69/88/76/507698876.db2.gz NLKBPERSSBANLM-OALUTQOASA-N 2 1 365.521 3.429 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000595825545 507702235 /nfs/dbraw/zinc/70/22/35/507702235.db2.gz DNHXYHNVACRNDK-HXUWFJFHSA-N 2 1 364.578 3.158 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000595825543 507702338 /nfs/dbraw/zinc/70/23/38/507702338.db2.gz DNHXYHNVACRNDK-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000595826146 507702911 /nfs/dbraw/zinc/70/29/11/507702911.db2.gz WWGFFUFQHFZVTM-NRFANRHFSA-N 2 1 374.573 3.414 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc2o1 ZINC000595901495 507733635 /nfs/dbraw/zinc/73/36/35/507733635.db2.gz XGAVAWMAIRMKGT-QGZVFWFLSA-N 2 1 356.466 3.431 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)[nH+]c1 ZINC000502862659 514815629 /nfs/dbraw/zinc/81/56/29/514815629.db2.gz TVDQMEAHSQPJCW-GOSISDBHSA-N 2 1 361.534 3.146 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[nH+]c1 ZINC000502862659 514815638 /nfs/dbraw/zinc/81/56/38/514815638.db2.gz TVDQMEAHSQPJCW-GOSISDBHSA-N 2 1 361.534 3.146 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1)CC(C)C ZINC000539098875 517910309 /nfs/dbraw/zinc/91/03/09/517910309.db2.gz NCEWQQFIKADKNV-UHFFFAOYSA-N 2 1 364.534 3.392 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033778 568314179 /nfs/dbraw/zinc/31/41/79/568314179.db2.gz LYYWVVMTZRAWLX-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP Fc1cccc(O[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643251874 568352518 /nfs/dbraw/zinc/35/25/18/568352518.db2.gz NBMCGSAGFATEJG-QFIPXVFZSA-N 2 1 370.468 3.311 20 0 FGADMP Fc1cccc(O[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643251874 568352519 /nfs/dbraw/zinc/35/25/19/568352519.db2.gz NBMCGSAGFATEJG-QFIPXVFZSA-N 2 1 370.468 3.311 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC[C@H]1C ZINC000643257921 568417020 /nfs/dbraw/zinc/41/70/20/568417020.db2.gz FQJKZTPSJBVVDM-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000643257921 568417021 /nfs/dbraw/zinc/41/70/21/568417021.db2.gz FQJKZTPSJBVVDM-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000643257921 568417022 /nfs/dbraw/zinc/41/70/22/568417022.db2.gz FQJKZTPSJBVVDM-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054537 724385219 /nfs/dbraw/zinc/38/52/19/724385219.db2.gz PZIOUIUIJNMXGZ-FGTMMUONSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820703719 606915188 /nfs/dbraw/zinc/91/51/88/606915188.db2.gz JVGGTDUXCFDJEU-KRWDZBQOSA-N 2 1 368.529 3.343 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337702 /nfs/dbraw/zinc/33/77/02/700337702.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337707 /nfs/dbraw/zinc/33/77/07/700337707.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571753 700337712 /nfs/dbraw/zinc/33/77/12/700337712.db2.gz OEYSXLABUXXKRE-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091592784 700422370 /nfs/dbraw/zinc/42/23/70/700422370.db2.gz PWSQBUGXARHLRK-OAHLLOKOSA-N 2 1 363.468 3.032 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000155607527 705084918 /nfs/dbraw/zinc/08/49/18/705084918.db2.gz PUNCLDIGPLVPIF-YOEHRIQHSA-N 2 1 367.896 3.072 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000173340149 705455174 /nfs/dbraw/zinc/45/51/74/705455174.db2.gz QYBKHXODXIABOV-XYJFISCASA-N 2 1 351.535 3.144 20 0 FGADMP C[N@H+](CCCO)C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177732411 705637149 /nfs/dbraw/zinc/63/71/49/705637149.db2.gz MFKNNGNQWJADHU-UHFFFAOYSA-N 2 1 358.448 3.417 20 0 FGADMP C[N@@H+](CCCO)C1CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000177732411 705637151 /nfs/dbraw/zinc/63/71/51/705637151.db2.gz MFKNNGNQWJADHU-UHFFFAOYSA-N 2 1 358.448 3.417 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000194011232 713507616 /nfs/dbraw/zinc/50/76/16/713507616.db2.gz KSOJCVWIUVECQI-UHFFFAOYSA-N 2 1 350.419 3.057 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261969948 713716377 /nfs/dbraw/zinc/71/63/77/713716377.db2.gz ICCKKJGGUOCAOA-UHFFFAOYSA-N 2 1 369.303 3.042 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000317665653 713807881 /nfs/dbraw/zinc/80/78/81/713807881.db2.gz DXAPSZKOCHCFSW-SYNTWQANSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000317665653 713807887 /nfs/dbraw/zinc/80/78/87/713807887.db2.gz DXAPSZKOCHCFSW-SYNTWQANSA-N 2 1 365.315 3.148 20 0 FGADMP Cc1nn2c(C[NH+]3CCC4(C[C@@H]4C[N@H+](C)C4CC4)CC3)c(C)nc2s1 ZINC000374285046 713910467 /nfs/dbraw/zinc/91/04/67/713910467.db2.gz XJUONYPGQPWREZ-OAHLLOKOSA-N 2 1 359.543 3.104 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000374412039 713920722 /nfs/dbraw/zinc/92/07/22/713920722.db2.gz PIKGCQYPVUWSAT-HLIPFELVSA-N 2 1 357.523 3.337 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603215 714195062 /nfs/dbraw/zinc/19/50/62/714195062.db2.gz PCAXNGVGJIGIRS-DLBZAZTESA-N 2 1 354.583 3.163 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCCCCC1 ZINC000524667614 714294511 /nfs/dbraw/zinc/29/45/11/714294511.db2.gz LNWORTGCXLOKOT-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000524966423 714312968 /nfs/dbraw/zinc/31/29/68/714312968.db2.gz LXAFDSWBROIQDK-IBGZPJMESA-N 2 1 363.933 3.277 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000525372918 714347544 /nfs/dbraw/zinc/34/75/44/714347544.db2.gz HMYHVPJNYHPDKR-HNNXBMFYSA-N 2 1 370.900 3.359 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992399 714448950 /nfs/dbraw/zinc/44/89/50/714448950.db2.gz JFGRTNDOSXVUNS-DOTOQJQBSA-N 2 1 358.448 3.319 20 0 FGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000579729937 714496312 /nfs/dbraw/zinc/49/63/12/714496312.db2.gz ZJNSVQUABZJKNX-MRXNPFEDSA-N 2 1 360.420 3.077 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000579729937 714496314 /nfs/dbraw/zinc/49/63/14/714496314.db2.gz ZJNSVQUABZJKNX-MRXNPFEDSA-N 2 1 360.420 3.077 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC1 ZINC000615616605 714539235 /nfs/dbraw/zinc/53/92/35/714539235.db2.gz ZMDZZEBZCRZDOQ-QGZVFWFLSA-N 2 1 366.575 3.113 20 0 FGADMP CC(C)Sc1ccccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504569 714663213 /nfs/dbraw/zinc/66/32/13/714663213.db2.gz AQHGTSZNIMKANT-INIZCTEOSA-N 2 1 351.560 3.189 20 0 FGADMP CC(C)Sc1ccccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504569 714663216 /nfs/dbraw/zinc/66/32/16/714663216.db2.gz AQHGTSZNIMKANT-INIZCTEOSA-N 2 1 351.560 3.189 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000617507205 714663357 /nfs/dbraw/zinc/66/33/57/714663357.db2.gz MGRRIJMBTGUELC-NSHDSACASA-N 2 1 364.292 3.134 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cc(F)cc1Cl ZINC000617507205 714663361 /nfs/dbraw/zinc/66/33/61/714663361.db2.gz MGRRIJMBTGUELC-NSHDSACASA-N 2 1 364.292 3.134 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000619177181 714808613 /nfs/dbraw/zinc/80/86/13/714808613.db2.gz WMPLTTKBRNFFAD-UHFFFAOYSA-N 2 1 365.264 3.393 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000643482135 718036482 /nfs/dbraw/zinc/03/64/82/718036482.db2.gz OCYGAWJMYAWSJR-NWANDNLSSA-N 2 1 357.479 3.398 20 0 FGADMP CCC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397215 715326904 /nfs/dbraw/zinc/32/69/04/715326904.db2.gz YMIRBMSNOZWDMS-DLBZAZTESA-N 2 1 363.571 3.264 20 0 FGADMP CCC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397215 715326914 /nfs/dbraw/zinc/32/69/14/715326914.db2.gz YMIRBMSNOZWDMS-DLBZAZTESA-N 2 1 363.571 3.264 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507282 715350256 /nfs/dbraw/zinc/35/02/56/715350256.db2.gz BNUBXQRXOWCFTP-GOEBONIOSA-N 2 1 369.347 3.063 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507475 715350647 /nfs/dbraw/zinc/35/06/47/715350647.db2.gz MCRGLSRDUPPHBQ-DOTOQJQBSA-N 2 1 369.347 3.063 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655315 715379914 /nfs/dbraw/zinc/37/99/14/715379914.db2.gz URZDXWUZEUJCCB-FUHWJXTLSA-N 2 1 351.922 3.008 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCc2scnc21 ZINC000623957474 715439904 /nfs/dbraw/zinc/43/99/04/715439904.db2.gz KQQNCTBECZBVPW-ZWKOTPCHSA-N 2 1 357.523 3.267 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255875 715500617 /nfs/dbraw/zinc/50/06/17/715500617.db2.gz WNLBGFKUWDSSGZ-GUDVDZBRSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000624255875 715500625 /nfs/dbraw/zinc/50/06/25/715500625.db2.gz WNLBGFKUWDSSGZ-GUDVDZBRSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000624255875 715500633 /nfs/dbraw/zinc/50/06/33/715500633.db2.gz WNLBGFKUWDSSGZ-GUDVDZBRSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255875 715500639 /nfs/dbraw/zinc/50/06/39/715500639.db2.gz WNLBGFKUWDSSGZ-GUDVDZBRSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255875 715500646 /nfs/dbraw/zinc/50/06/46/715500646.db2.gz WNLBGFKUWDSSGZ-GUDVDZBRSA-N 2 1 361.917 3.047 20 0 FGADMP CN(CC[N@@H+](C)CCc1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000628277824 716133830 /nfs/dbraw/zinc/13/38/30/716133830.db2.gz LDUICUVZQJQYLN-UHFFFAOYSA-N 2 1 357.464 3.206 20 0 FGADMP [NH3+]CCCOCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000629539003 716304556 /nfs/dbraw/zinc/30/45/56/716304556.db2.gz OSJBQFIKHWNJOB-INIZCTEOSA-N 2 1 353.260 3.087 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631194705 716583111 /nfs/dbraw/zinc/58/31/11/716583111.db2.gz ONBZEACSZWLPOY-AEFFLSMTSA-N 2 1 359.539 3.190 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)s1 ZINC000631194705 716583112 /nfs/dbraw/zinc/58/31/12/716583112.db2.gz ONBZEACSZWLPOY-AEFFLSMTSA-N 2 1 359.539 3.190 20 0 FGADMP COc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c(C(F)(F)F)c1 ZINC000638482964 717450969 /nfs/dbraw/zinc/45/09/69/717450969.db2.gz ADMMHLUTQJBRGT-UHFFFAOYSA-N 2 1 360.420 3.039 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638675593 717475480 /nfs/dbraw/zinc/47/54/80/717475480.db2.gz XRELVKRKPUBRSW-UHFFFAOYSA-N 2 1 355.408 3.313 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167105 717869697 /nfs/dbraw/zinc/86/96/97/717869697.db2.gz BMMXZLPLTJHWJI-RDTXWAMCSA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167105 717869702 /nfs/dbraw/zinc/86/97/02/717869702.db2.gz BMMXZLPLTJHWJI-RDTXWAMCSA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167105 717869704 /nfs/dbraw/zinc/86/97/04/717869704.db2.gz BMMXZLPLTJHWJI-RDTXWAMCSA-N 2 1 365.884 3.382 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000644424116 718110755 /nfs/dbraw/zinc/11/07/55/718110755.db2.gz UKSYHMDVFUFWAX-DDBAPUKQSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@](O)(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000644424116 718110757 /nfs/dbraw/zinc/11/07/57/718110757.db2.gz UKSYHMDVFUFWAX-DDBAPUKQSA-N 2 1 356.432 3.475 20 0 FGADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235887 718341852 /nfs/dbraw/zinc/34/18/52/718341852.db2.gz JBTDDCMWHBSONU-ZOBUZTSGSA-N 2 1 358.404 3.225 20 0 FGADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235887 718341854 /nfs/dbraw/zinc/34/18/54/718341854.db2.gz JBTDDCMWHBSONU-ZOBUZTSGSA-N 2 1 358.404 3.225 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(Br)cc1O ZINC000647361098 718352450 /nfs/dbraw/zinc/35/24/50/718352450.db2.gz CQNJZXMFKGLWAS-YUELXQCFSA-N 2 1 369.303 3.126 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(Br)cc1O ZINC000647361098 718352453 /nfs/dbraw/zinc/35/24/53/718352453.db2.gz CQNJZXMFKGLWAS-YUELXQCFSA-N 2 1 369.303 3.126 20 0 FGADMP Oc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543706 718366463 /nfs/dbraw/zinc/36/64/63/718366463.db2.gz RFHQPAKKRPHWAQ-KGLIPLIRSA-N 2 1 353.304 3.366 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903619 718385518 /nfs/dbraw/zinc/38/55/18/718385518.db2.gz NCVMDPRIEMUQDU-WBVHZDCISA-N 2 1 360.889 3.397 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306877 718502914 /nfs/dbraw/zinc/50/29/14/718502914.db2.gz WFVFGPLMZKBBSX-IBGZPJMESA-N 2 1 359.901 3.496 20 0 FGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000649641534 718542723 /nfs/dbraw/zinc/54/27/23/718542723.db2.gz TYBINSPRRXJXRC-CQSZACIVSA-N 2 1 358.873 3.229 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708120 718717784 /nfs/dbraw/zinc/71/77/84/718717784.db2.gz TYGVBLVOWZSIQB-LZLYRXPVSA-N 2 1 367.331 3.476 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722592 718720710 /nfs/dbraw/zinc/72/07/10/718720710.db2.gz XMARWODZYYCWNU-USXIJHARSA-N 2 1 368.905 3.218 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363642 718937127 /nfs/dbraw/zinc/93/71/27/718937127.db2.gz JWYONGVTZRXCBD-UWWQBHOKSA-N 2 1 356.869 3.219 20 0 FGADMP c1cn(-c2cc[nH+]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@H]43)c2)cn1 ZINC001164629618 719106602 /nfs/dbraw/zinc/10/66/02/719106602.db2.gz SWAPGAQODLAZLK-TZIWHRDSSA-N 2 1 359.477 3.368 20 0 FGADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1ccccc1Cl ZINC000655718437 719329401 /nfs/dbraw/zinc/32/94/01/719329401.db2.gz JKRPIFULUJQNSD-SJORKVTESA-N 2 1 352.906 3.340 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccc(Cl)cc1 ZINC000655718387 719329474 /nfs/dbraw/zinc/32/94/74/719329474.db2.gz MXLJIQINKOJFSZ-DNVCBOLYSA-N 2 1 352.906 3.340 20 0 FGADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000655720850 719329863 /nfs/dbraw/zinc/32/98/63/719329863.db2.gz HNOWMJWTAKZFMY-ZDUSSCGKSA-N 2 1 365.319 3.373 20 0 FGADMP Cn1cc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c2ccc(Cl)cc21 ZINC000655756494 719335439 /nfs/dbraw/zinc/33/54/39/719335439.db2.gz UDEUHNVHJMHHCO-GOSISDBHSA-N 2 1 361.917 3.217 20 0 FGADMP Oc1ccc(Br)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784774 719471303 /nfs/dbraw/zinc/47/13/03/719471303.db2.gz HEGVQEOBAJQPED-AWEZNQCLSA-N 2 1 353.304 3.366 20 0 FGADMP Cc1c[nH]c2nc(Cl)cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680674 719635538 /nfs/dbraw/zinc/63/55/38/719635538.db2.gz ZWRPSRABIBUTLR-UHFFFAOYSA-N 2 1 372.904 3.196 20 0 FGADMP Cc1c[nH]c2nc(Cl)cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164680674 719635551 /nfs/dbraw/zinc/63/55/51/719635551.db2.gz ZWRPSRABIBUTLR-UHFFFAOYSA-N 2 1 372.904 3.196 20 0 FGADMP C[NH+]1CCN(c2cccc(Cl)c2CN[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000657563377 719674615 /nfs/dbraw/zinc/67/46/15/719674615.db2.gz NPKGSNZSSVUZQK-MRXNPFEDSA-N 2 1 364.965 3.054 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657842840 719719560 /nfs/dbraw/zinc/71/95/60/719719560.db2.gz BFRPLCQXHRWZHU-QGZVFWFLSA-N 2 1 369.347 3.207 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)c(Cl)c1 ZINC000657847993 719720240 /nfs/dbraw/zinc/72/02/40/719720240.db2.gz ZEUPJJANADPCRA-YPMHNXCESA-N 2 1 361.711 3.210 20 0 FGADMP CCOc1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164694972 719892272 /nfs/dbraw/zinc/89/22/72/719892272.db2.gz IOHLRPADYXXFTK-UHFFFAOYSA-N 2 1 373.522 3.413 20 0 FGADMP CC[C@@H](CC(F)F)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659911009 719955251 /nfs/dbraw/zinc/95/52/51/719955251.db2.gz BACCDLJWCJSQNY-SFHVURJKSA-N 2 1 353.501 3.417 20 0 FGADMP CO[C@@H](C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993375 /nfs/dbraw/zinc/99/33/75/719993375.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@@H](C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993378 /nfs/dbraw/zinc/99/33/78/719993378.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@@H](C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124244 719993379 /nfs/dbraw/zinc/99/33/79/719993379.db2.gz GPCMFSVUDFRCOY-PCCBWWKXSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660155206 719998515 /nfs/dbraw/zinc/99/85/15/719998515.db2.gz MMYHILCRGXOSGZ-QAPCUYQASA-N 2 1 369.525 3.015 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660155206 719998516 /nfs/dbraw/zinc/99/85/16/719998516.db2.gz MMYHILCRGXOSGZ-QAPCUYQASA-N 2 1 369.525 3.015 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312048 720027672 /nfs/dbraw/zinc/02/76/72/720027672.db2.gz NQKXRSCKJDCTSN-AEFFLSMTSA-N 2 1 364.559 3.057 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)ccc1Br ZINC000660586830 720078281 /nfs/dbraw/zinc/07/82/81/720078281.db2.gz JXSFPUVHMAFLMD-OAHLLOKOSA-N 2 1 357.336 3.283 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)ccc1Br ZINC000660586830 720078287 /nfs/dbraw/zinc/07/82/87/720078287.db2.gz JXSFPUVHMAFLMD-OAHLLOKOSA-N 2 1 357.336 3.283 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656951 720092207 /nfs/dbraw/zinc/09/22/07/720092207.db2.gz CHMMIDRHWHQTQJ-QZTJIDSGSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656951 720092211 /nfs/dbraw/zinc/09/22/11/720092211.db2.gz CHMMIDRHWHQTQJ-QZTJIDSGSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656951 720092224 /nfs/dbraw/zinc/09/22/24/720092224.db2.gz CHMMIDRHWHQTQJ-QZTJIDSGSA-N 2 1 356.432 3.027 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660659139 720093468 /nfs/dbraw/zinc/09/34/68/720093468.db2.gz KMDCGHVEVSZIEG-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000660659139 720093471 /nfs/dbraw/zinc/09/34/71/720093471.db2.gz KMDCGHVEVSZIEG-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000660659139 720093478 /nfs/dbraw/zinc/09/34/78/720093478.db2.gz KMDCGHVEVSZIEG-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817220 720155363 /nfs/dbraw/zinc/15/53/63/720155363.db2.gz PAEAJMVHIZPUDA-UTKZUKDTSA-N 2 1 354.498 3.056 20 0 FGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817216 720155535 /nfs/dbraw/zinc/15/55/35/720155535.db2.gz PAEAJMVHIZPUDA-DYESRHJHSA-N 2 1 354.498 3.056 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284205 720410043 /nfs/dbraw/zinc/41/00/43/720410043.db2.gz GDZMNCSZPLFJHM-BJJXKVORSA-N 2 1 358.404 3.145 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298687 720412058 /nfs/dbraw/zinc/41/20/58/720412058.db2.gz WUZRWQBVFGMARQ-MAUKXSAKSA-N 2 1 363.933 3.056 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1Cl ZINC000662393599 720424484 /nfs/dbraw/zinc/42/44/84/720424484.db2.gz HPNBTJIRBCTTNC-QGZVFWFLSA-N 2 1 370.324 3.245 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1cccs1 ZINC000662474071 720432172 /nfs/dbraw/zinc/43/21/72/720432172.db2.gz RYWNGVVWLARIPY-KXBFYZLASA-N 2 1 355.507 3.164 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512892 720437181 /nfs/dbraw/zinc/43/71/81/720437181.db2.gz MPZQXWKSKRPIKX-SJLPKXTDSA-N 2 1 355.885 3.117 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512892 720437183 /nfs/dbraw/zinc/43/71/83/720437183.db2.gz MPZQXWKSKRPIKX-SJLPKXTDSA-N 2 1 355.885 3.117 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662579604 720442993 /nfs/dbraw/zinc/44/29/93/720442993.db2.gz ZHHGEUFLEFFVHT-UHFFFAOYSA-N 2 1 366.284 3.133 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662704281 720453336 /nfs/dbraw/zinc/45/33/36/720453336.db2.gz YGTYANYDRNXLDW-MEDUHNTESA-N 2 1 358.313 3.100 20 0 FGADMP CC[N@H+](CCCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000662828421 720462215 /nfs/dbraw/zinc/46/22/15/720462215.db2.gz JFJSHWDXFDMCOJ-GOSISDBHSA-N 2 1 353.457 3.126 20 0 FGADMP CC[N@@H+](CCCNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000662828421 720462217 /nfs/dbraw/zinc/46/22/17/720462217.db2.gz JFJSHWDXFDMCOJ-GOSISDBHSA-N 2 1 353.457 3.126 20 0 FGADMP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841207 720509343 /nfs/dbraw/zinc/50/93/43/720509343.db2.gz XYCOINLIELVVEQ-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663467100 720517986 /nfs/dbraw/zinc/51/79/86/720517986.db2.gz CTQCHEIHSWIAHQ-WMLDXEAASA-N 2 1 351.560 3.413 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000663620730 720530896 /nfs/dbraw/zinc/53/08/96/720530896.db2.gz RLNKEVLYQLYHQL-QZTJIDSGSA-N 2 1 366.575 3.257 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000664292624 720619145 /nfs/dbraw/zinc/61/91/45/720619145.db2.gz OVAHKJNLKJZWGZ-MSOLQXFVSA-N 2 1 366.937 3.068 20 0 FGADMP Fc1cncc(Br)c1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667708369 721161580 /nfs/dbraw/zinc/16/15/80/721161580.db2.gz AFEUKALRTQYTTB-YVEFUNNKSA-N 2 1 368.294 3.432 20 0 FGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000668784550 721356265 /nfs/dbraw/zinc/35/62/65/721356265.db2.gz FHHIVDQFNJCQRO-SJLPKXTDSA-N 2 1 352.494 3.056 20 0 FGADMP CCC[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674325761 721687314 /nfs/dbraw/zinc/68/73/14/721687314.db2.gz DTJJASDHINVFSI-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(C)[nH+]1 ZINC001165019733 721824789 /nfs/dbraw/zinc/82/47/89/721824789.db2.gz BIOOBQHCFJFNAP-YSIASYRMSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(C)[nH+]1 ZINC001165019733 721824791 /nfs/dbraw/zinc/82/47/91/721824791.db2.gz BIOOBQHCFJFNAP-YSIASYRMSA-N 2 1 365.525 3.479 20 0 FGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C[C@H]3CCCO3)CC2)nc1 ZINC001165041625 721924344 /nfs/dbraw/zinc/92/43/44/721924344.db2.gz AKTIASNUAHLVBE-NHCUHLMSSA-N 2 1 372.557 3.320 20 0 FGADMP FC(F)O[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679739315 722046172 /nfs/dbraw/zinc/04/61/72/722046172.db2.gz CTJSFQIBNSQHFH-SFHVURJKSA-N 2 1 354.441 3.365 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000700804668 722409890 /nfs/dbraw/zinc/40/98/90/722409890.db2.gz QATUSDFUSSZRHF-OOKSDGMUSA-N 2 1 351.535 3.238 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000742385865 722556754 /nfs/dbraw/zinc/55/67/54/722556754.db2.gz ZAORDRRSKBIJJJ-WMZOPIPTSA-N 2 1 353.551 3.344 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000746753995 722617105 /nfs/dbraw/zinc/61/71/05/722617105.db2.gz IQQONQSXSPZFFE-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP CN(CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000760835256 723096805 /nfs/dbraw/zinc/09/68/05/723096805.db2.gz LWCNDSUEFJUGDY-SFHVURJKSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000760840212 723097299 /nfs/dbraw/zinc/09/72/99/723097299.db2.gz GRSYRBNLYHNVAU-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760905354 723103859 /nfs/dbraw/zinc/10/38/59/723103859.db2.gz AYSVEZYYVUFZTK-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760905354 723103862 /nfs/dbraw/zinc/10/38/62/723103862.db2.gz AYSVEZYYVUFZTK-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760905354 723103867 /nfs/dbraw/zinc/10/38/67/723103867.db2.gz AYSVEZYYVUFZTK-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024675 723471137 /nfs/dbraw/zinc/47/11/37/723471137.db2.gz GYSGTXAORAWBNR-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024675 723471139 /nfs/dbraw/zinc/47/11/39/723471139.db2.gz GYSGTXAORAWBNR-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024675 723471142 /nfs/dbraw/zinc/47/11/42/723471142.db2.gz GYSGTXAORAWBNR-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@H]21 ZINC000795126447 723565642 /nfs/dbraw/zinc/56/56/42/723565642.db2.gz WJRBJCJIGHDRSD-QZTJIDSGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)s1 ZINC000796276523 723629743 /nfs/dbraw/zinc/62/97/43/723629743.db2.gz OKELPRSERPLXCY-CYBMUJFWSA-N 2 1 366.481 3.099 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000796694382 723650434 /nfs/dbraw/zinc/65/04/34/723650434.db2.gz IPZKRMFKPRUMLO-LJQANCHMSA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000796736796 723652621 /nfs/dbraw/zinc/65/26/21/723652621.db2.gz HPMCCPJLPMLPMW-NXOAAHMSSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000796753244 723653527 /nfs/dbraw/zinc/65/35/27/723653527.db2.gz CZINIIOWZWITGU-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(Br)c(F)c1 ZINC000768513415 723659973 /nfs/dbraw/zinc/65/99/73/723659973.db2.gz ZKEOJGXNAWJJKF-UBHSHLNASA-N 2 1 357.267 3.102 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000772875725 723770400 /nfs/dbraw/zinc/77/04/00/723770400.db2.gz WIAXFOZQEWAITC-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178167 723995301 /nfs/dbraw/zinc/99/53/01/723995301.db2.gz OPKQCOIRBHGGAP-QGZVFWFLSA-N 2 1 366.933 3.196 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009054 724352745 /nfs/dbraw/zinc/35/27/45/724352745.db2.gz LNKHOPJPEHDSJH-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009054 724352749 /nfs/dbraw/zinc/35/27/49/724352749.db2.gz LNKHOPJPEHDSJH-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009054 724352752 /nfs/dbraw/zinc/35/27/52/724352752.db2.gz LNKHOPJPEHDSJH-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000788508961 725068906 /nfs/dbraw/zinc/06/89/06/725068906.db2.gz WIDSVEWUZUIOEJ-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805763403 725092540 /nfs/dbraw/zinc/09/25/40/725092540.db2.gz LAQMZGQGRWIBKY-KRWDZBQOSA-N 2 1 350.507 3.351 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000805763403 725092544 /nfs/dbraw/zinc/09/25/44/725092544.db2.gz LAQMZGQGRWIBKY-KRWDZBQOSA-N 2 1 350.507 3.351 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000808726322 725214987 /nfs/dbraw/zinc/21/49/87/725214987.db2.gz YEENGUVCRISIQS-XLAORIBOSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H]1CCN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000809587311 725249864 /nfs/dbraw/zinc/24/98/64/725249864.db2.gz ZBZBTQPDKGAYPJ-QGZVFWFLSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@@H]1CCN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000809587311 725249865 /nfs/dbraw/zinc/24/98/65/725249865.db2.gz ZBZBTQPDKGAYPJ-QGZVFWFLSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@H]1CCN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000809587310 725250032 /nfs/dbraw/zinc/25/00/32/725250032.db2.gz ZBZBTQPDKGAYPJ-KRWDZBQOSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@H]1CCN(Cc2ncc(C[NH+](C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000809587310 725250035 /nfs/dbraw/zinc/25/00/35/725250035.db2.gz ZBZBTQPDKGAYPJ-KRWDZBQOSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765035 725266270 /nfs/dbraw/zinc/26/62/70/725266270.db2.gz KQPBKRATEZRTHU-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765035 725266272 /nfs/dbraw/zinc/26/62/72/725266272.db2.gz KQPBKRATEZRTHU-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765035 725266275 /nfs/dbraw/zinc/26/62/75/725266275.db2.gz KQPBKRATEZRTHU-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765035 725266278 /nfs/dbraw/zinc/26/62/78/725266278.db2.gz KQPBKRATEZRTHU-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122397 725389150 /nfs/dbraw/zinc/38/91/50/725389150.db2.gz JQJGCQCXLXYKCA-LMDPOFIKSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337035 726862620 /nfs/dbraw/zinc/86/26/20/726862620.db2.gz VLUGLWBIPSEEPJ-BRSBDYLESA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337035 726862625 /nfs/dbraw/zinc/86/26/25/726862625.db2.gz VLUGLWBIPSEEPJ-BRSBDYLESA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337035 726862627 /nfs/dbraw/zinc/86/26/27/726862627.db2.gz VLUGLWBIPSEEPJ-BRSBDYLESA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337035 726862630 /nfs/dbraw/zinc/86/26/30/726862630.db2.gz VLUGLWBIPSEEPJ-BRSBDYLESA-N 2 1 353.551 3.437 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535012 727172547 /nfs/dbraw/zinc/17/25/47/727172547.db2.gz CBUOFOAXBVPLHQ-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)C[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642506 727183917 /nfs/dbraw/zinc/18/39/17/727183917.db2.gz BIVGEIGJSAWLSB-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642506 727183919 /nfs/dbraw/zinc/18/39/19/727183919.db2.gz BIVGEIGJSAWLSB-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642506 727183921 /nfs/dbraw/zinc/18/39/21/727183921.db2.gz BIVGEIGJSAWLSB-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642506 727183922 /nfs/dbraw/zinc/18/39/22/727183922.db2.gz BIVGEIGJSAWLSB-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000821387741 729082464 /nfs/dbraw/zinc/08/24/64/729082464.db2.gz WTOOGTAYDRFMJY-FGTMMUONSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000821387741 729082466 /nfs/dbraw/zinc/08/24/66/729082466.db2.gz WTOOGTAYDRFMJY-FGTMMUONSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000821387741 729082469 /nfs/dbraw/zinc/08/24/69/729082469.db2.gz WTOOGTAYDRFMJY-FGTMMUONSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823465420 729283245 /nfs/dbraw/zinc/28/32/45/729283245.db2.gz YBRDNZXHMOTDCC-MSOLQXFVSA-N 2 1 353.551 3.201 20 0 FGADMP C[NH+](C)C1(C[NH2+]C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CCCCC1 ZINC000823578883 729290286 /nfs/dbraw/zinc/29/02/86/729290286.db2.gz JNNQRNAGOGDQPJ-LPHOPBHVSA-N 2 1 351.535 3.098 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823736472 729301864 /nfs/dbraw/zinc/30/18/64/729301864.db2.gz CNYUQLGSXCHQEI-FGTMMUONSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292940 729329081 /nfs/dbraw/zinc/32/90/81/729329081.db2.gz WOLVWIVIEINHRA-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000824384194 729334830 /nfs/dbraw/zinc/33/48/30/729334830.db2.gz ZGKSZFDHZOXSDX-OKZBNKHCSA-N 2 1 353.551 3.342 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCc3ccc(F)cc3Cl)cc2)C1 ZINC000826943703 729419639 /nfs/dbraw/zinc/41/96/39/729419639.db2.gz YOLDMKFNKYCTDR-LJQANCHMSA-N 2 1 362.876 3.378 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831480911 729645329 /nfs/dbraw/zinc/64/53/29/729645329.db2.gz JMBDHADBXTWNDN-DNVCBOLYSA-N 2 1 369.912 3.497 20 0 FGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834518029 729809297 /nfs/dbraw/zinc/80/92/97/729809297.db2.gz CUEASJOAERBREH-DLBZAZTESA-N 2 1 350.507 3.349 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834893082 729844413 /nfs/dbraw/zinc/84/44/13/729844413.db2.gz NSNDMAIEOHKTNC-VGUREELVSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000834908401 729845489 /nfs/dbraw/zinc/84/54/89/729845489.db2.gz JQRFQKHVWDIKMC-INIZCTEOSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000841057717 730206830 /nfs/dbraw/zinc/20/68/30/730206830.db2.gz MIBRMRHLKRZBPF-JKSUJKDBSA-N 2 1 350.869 3.392 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128893 730589192 /nfs/dbraw/zinc/58/91/92/730589192.db2.gz YOSXAXPFCDUIMQ-HUUCEWRRSA-N 2 1 361.921 3.142 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364003 730610860 /nfs/dbraw/zinc/61/08/60/730610860.db2.gz JJGKEGYMEPRRMB-AWEZNQCLSA-N 2 1 365.905 3.060 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487704 730624383 /nfs/dbraw/zinc/62/43/83/730624383.db2.gz UECDZNNGJGHQLB-KRWDZBQOSA-N 2 1 366.937 3.156 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCCCCC[NH3+])CC1 ZINC000846222499 730937427 /nfs/dbraw/zinc/93/74/27/730937427.db2.gz FAORZTANQMJLLP-KRWDZBQOSA-N 2 1 350.526 3.137 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@]3(C)C[C@]3(F)Cl)CC2)CC1 ZINC000848241279 731148364 /nfs/dbraw/zinc/14/83/64/731148364.db2.gz LULJBFGLKAKPSH-RBUKOAKNSA-N 2 1 373.944 3.004 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000848534216 731177260 /nfs/dbraw/zinc/17/72/60/731177260.db2.gz PTLIBJSIEQLXRG-YOEHRIQHSA-N 2 1 373.324 3.260 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1cccc(C(F)(F)F)c1 ZINC000849066438 731225724 /nfs/dbraw/zinc/22/57/24/731225724.db2.gz FCXLIWMZQGXVLD-MRXNPFEDSA-N 2 1 356.436 3.236 20 0 FGADMP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H](C)C1 ZINC000849091047 731228164 /nfs/dbraw/zinc/22/81/64/731228164.db2.gz DTIFGYUBYMSLCT-UONOGXRCSA-N 2 1 356.436 3.440 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc2ccccc2c1 ZINC000849276227 731240591 /nfs/dbraw/zinc/24/05/91/731240591.db2.gz DAIPEWIXKOULCF-INIZCTEOSA-N 2 1 358.555 3.398 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc2ccccc2c1 ZINC000849276227 731240593 /nfs/dbraw/zinc/24/05/93/731240593.db2.gz DAIPEWIXKOULCF-INIZCTEOSA-N 2 1 358.555 3.398 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000849349893 731250988 /nfs/dbraw/zinc/25/09/88/731250988.db2.gz BAPRBPSEBBKDBE-QGZVFWFLSA-N 2 1 351.535 3.383 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000849349893 731250993 /nfs/dbraw/zinc/25/09/93/731250993.db2.gz BAPRBPSEBBKDBE-QGZVFWFLSA-N 2 1 351.535 3.383 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850434006 731357061 /nfs/dbraw/zinc/35/70/61/731357061.db2.gz TWQRAYWKSVXOTH-KZNAEPCWSA-N 2 1 367.331 3.223 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850434006 731357062 /nfs/dbraw/zinc/35/70/62/731357062.db2.gz TWQRAYWKSVXOTH-KZNAEPCWSA-N 2 1 367.331 3.223 20 0 FGADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)n1 ZINC000854233004 731806873 /nfs/dbraw/zinc/80/68/73/731806873.db2.gz WBSPVTMPFBXSPN-CQSZACIVSA-N 2 1 366.437 3.123 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585113 732039703 /nfs/dbraw/zinc/03/97/03/732039703.db2.gz ZMIRUKMHQBUCJQ-YJBOKZPZSA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585113 732039705 /nfs/dbraw/zinc/03/97/05/732039705.db2.gz ZMIRUKMHQBUCJQ-YJBOKZPZSA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585113 732039708 /nfs/dbraw/zinc/03/97/08/732039708.db2.gz ZMIRUKMHQBUCJQ-YJBOKZPZSA-N 2 1 353.457 3.422 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183357 732190341 /nfs/dbraw/zinc/19/03/41/732190341.db2.gz CTHPKMVGLSJHCX-HRCADAONSA-N 2 1 351.535 3.285 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490777 732220310 /nfs/dbraw/zinc/22/03/10/732220310.db2.gz OHNQKNNUDKJFGT-FGTMMUONSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000865414330 733194141 /nfs/dbraw/zinc/19/41/41/733194141.db2.gz BFUFIZWVXLZJNF-MJBXVCDLSA-N 2 1 365.440 3.049 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000865414330 733194147 /nfs/dbraw/zinc/19/41/47/733194147.db2.gz BFUFIZWVXLZJNF-MJBXVCDLSA-N 2 1 365.440 3.049 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868103222 733556554 /nfs/dbraw/zinc/55/65/54/733556554.db2.gz QBGVEYXGONVFNP-ZJRDLVKKSA-N 2 1 352.567 3.061 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150377 735595804 /nfs/dbraw/zinc/59/58/04/735595804.db2.gz QKIZKVNVLUQVOG-DGCLKSJQSA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150377 735595805 /nfs/dbraw/zinc/59/58/05/735595805.db2.gz QKIZKVNVLUQVOG-DGCLKSJQSA-N 2 1 356.310 3.197 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156178 735597132 /nfs/dbraw/zinc/59/71/32/735597132.db2.gz FZOSWHOZPLNSIL-PXNSSMCTSA-N 2 1 364.555 3.210 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156178 735597134 /nfs/dbraw/zinc/59/71/34/735597134.db2.gz FZOSWHOZPLNSIL-PXNSSMCTSA-N 2 1 364.555 3.210 20 0 FGADMP C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155735 735597244 /nfs/dbraw/zinc/59/72/44/735597244.db2.gz VCQGRQZXTFOERZ-OAHLLOKOSA-N 2 1 362.543 3.094 20 0 FGADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2)CC1 ZINC000876875591 736156901 /nfs/dbraw/zinc/15/69/01/736156901.db2.gz WQRPKQSORWUHDG-UHFFFAOYSA-N 2 1 351.903 3.043 20 0 FGADMP C[N@@H+](Cc1cc2c(ccnc2Cl)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525471 736678528 /nfs/dbraw/zinc/67/85/28/736678528.db2.gz DMQUYRDVTIDUPL-OAHLLOKOSA-N 2 1 362.905 3.082 20 0 FGADMP C(=C/C[N@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319180 737154366 /nfs/dbraw/zinc/15/43/66/737154366.db2.gz CCPUHYXATKEPEP-POHSLCEDSA-N 2 1 360.552 3.435 20 0 FGADMP CCC1(NC(=O)OC(C)(C)C)CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC000883283408 737546903 /nfs/dbraw/zinc/54/69/03/737546903.db2.gz DMKDJFHJLLWHCK-UHFFFAOYSA-N 2 1 351.535 3.383 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000884346842 737657304 /nfs/dbraw/zinc/65/73/04/737657304.db2.gz CFLVOKZWVGGLKJ-OALUTQOASA-N 2 1 362.587 3.018 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000891725806 739931578 /nfs/dbraw/zinc/93/15/78/739931578.db2.gz BCJBKVSWHXNTNN-ZWKOTPCHSA-N 2 1 366.937 3.246 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000891725806 739931580 /nfs/dbraw/zinc/93/15/80/739931580.db2.gz BCJBKVSWHXNTNN-ZWKOTPCHSA-N 2 1 366.937 3.246 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000892510122 740009904 /nfs/dbraw/zinc/00/99/04/740009904.db2.gz HVOALRFRTOXBOJ-GFCCVEGCSA-N 2 1 355.408 3.097 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Br)cc2O)c1 ZINC000892938498 740060610 /nfs/dbraw/zinc/06/06/10/740060610.db2.gz NZICXKRFMJQOBW-UHFFFAOYSA-N 2 1 364.287 3.291 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845267 742461668 /nfs/dbraw/zinc/46/16/68/742461668.db2.gz URYLMNHTCJDUNH-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845267 742461670 /nfs/dbraw/zinc/46/16/70/742461670.db2.gz URYLMNHTCJDUNH-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000895845267 742461675 /nfs/dbraw/zinc/46/16/75/742461675.db2.gz URYLMNHTCJDUNH-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)s1 ZINC000896930829 742617129 /nfs/dbraw/zinc/61/71/29/742617129.db2.gz BQQSSRNKFPSONB-GOEBONIOSA-N 2 1 365.543 3.105 20 0 FGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734476 743879975 /nfs/dbraw/zinc/87/99/75/743879975.db2.gz RLSMFQVUXIQGBG-XFKSJGNHSA-N 2 1 364.555 3.185 20 0 FGADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903885667 743892597 /nfs/dbraw/zinc/89/25/97/743892597.db2.gz IOTJOYQRTMCQLO-IRXDYDNUSA-N 2 1 359.905 3.063 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709354 744045849 /nfs/dbraw/zinc/04/58/49/744045849.db2.gz LNSVMNNEOVIHIJ-XDNAFOTISA-N 2 1 356.432 3.190 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncsc3C3CC3)CC2)CC1 ZINC000914119443 757698212 /nfs/dbraw/zinc/69/82/12/757698212.db2.gz RRMBWWDFAWHUBO-UHFFFAOYSA-N 2 1 362.543 3.155 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/Sc2ccccc2)CC1 ZINC000919860610 758481998 /nfs/dbraw/zinc/48/19/98/758481998.db2.gz FBMHPSYPIYIDBD-RIYZIHGNSA-N 2 1 354.479 3.078 20 0 FGADMP CC(C)c1cccc(NC(=S)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1 ZINC000920995354 758628366 /nfs/dbraw/zinc/62/83/66/758628366.db2.gz PSOVFJVZORRMRF-UHFFFAOYSA-N 2 1 362.587 3.465 20 0 FGADMP CC(C)c1cccc(NC(=S)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000920995354 758628376 /nfs/dbraw/zinc/62/83/76/758628376.db2.gz PSOVFJVZORRMRF-UHFFFAOYSA-N 2 1 362.587 3.465 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386379 758909174 /nfs/dbraw/zinc/90/91/74/758909174.db2.gz GZXQAZRZOIODQC-ZJPYXAASSA-N 2 1 356.432 3.275 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488976 759130569 /nfs/dbraw/zinc/13/05/69/759130569.db2.gz VNEXPWAABHETDC-MNOVXSKESA-N 2 1 363.811 3.357 20 0 FGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925737164 759528237 /nfs/dbraw/zinc/52/82/37/759528237.db2.gz PTIGBZXFVSAQOT-OKZBNKHCSA-N 2 1 352.906 3.374 20 0 FGADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925786594 759539444 /nfs/dbraw/zinc/53/94/44/759539444.db2.gz XANHOFIRSVPWMY-SMDDNHRTSA-N 2 1 350.331 3.407 20 0 FGADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925786593 759539653 /nfs/dbraw/zinc/53/96/53/759539653.db2.gz XANHOFIRSVPWMY-RISCZKNCSA-N 2 1 350.331 3.407 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000925834117 759555135 /nfs/dbraw/zinc/55/51/35/759555135.db2.gz VLKABRTXTCQZEQ-OXQOHEQNSA-N 2 1 355.507 3.367 20 0 FGADMP Cc1ccc(Cl)c(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000926067243 759633984 /nfs/dbraw/zinc/63/39/84/759633984.db2.gz WFTOXSNPBFPJRC-IYBDPMFKSA-N 2 1 362.905 3.081 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930458597 760616026 /nfs/dbraw/zinc/61/60/26/760616026.db2.gz ADBGSDIUVAQQGS-VQVIJEGRSA-N 2 1 351.535 3.046 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000930458597 760616029 /nfs/dbraw/zinc/61/60/29/760616029.db2.gz ADBGSDIUVAQQGS-VQVIJEGRSA-N 2 1 351.535 3.046 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000930458597 760616032 /nfs/dbraw/zinc/61/60/32/760616032.db2.gz ADBGSDIUVAQQGS-VQVIJEGRSA-N 2 1 351.535 3.046 20 0 FGADMP COC/C(C)=C/C[NH+]1CCCC2(CCC[N@H+](C/C=C(/C)COC)C2)C1 ZINC000930512528 760629362 /nfs/dbraw/zinc/62/93/62/760629362.db2.gz UUFDYGHIYKCZEP-NORIJPHCSA-N 2 1 350.547 3.350 20 0 FGADMP COC/C(C)=C/C[N@H+]1CCCC2(CCC[NH+](C/C=C(/C)COC)C2)C1 ZINC000930512528 760629365 /nfs/dbraw/zinc/62/93/65/760629365.db2.gz UUFDYGHIYKCZEP-NORIJPHCSA-N 2 1 350.547 3.350 20 0 FGADMP COC/C(C)=C/C[N@@H+]1CCCC2(CCC[NH+](C/C=C(/C)COC)C2)C1 ZINC000930512528 760629368 /nfs/dbraw/zinc/62/93/68/760629368.db2.gz UUFDYGHIYKCZEP-NORIJPHCSA-N 2 1 350.547 3.350 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309688 760824198 /nfs/dbraw/zinc/82/41/98/760824198.db2.gz SCKASTWVYFDGRM-MVJPYGJCSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309688 760824211 /nfs/dbraw/zinc/82/42/11/760824211.db2.gz SCKASTWVYFDGRM-MVJPYGJCSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309688 760824226 /nfs/dbraw/zinc/82/42/26/760824226.db2.gz SCKASTWVYFDGRM-MVJPYGJCSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309688 760824237 /nfs/dbraw/zinc/82/42/37/760824237.db2.gz SCKASTWVYFDGRM-MVJPYGJCSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932207596 761087219 /nfs/dbraw/zinc/08/72/19/761087219.db2.gz VFDXUQRSNOHKCR-HNNXBMFYSA-N 2 1 350.260 3.458 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000961854780 762753448 /nfs/dbraw/zinc/75/34/48/762753448.db2.gz HOBRBWFVVDFWDY-FPCDFSMTSA-N 2 1 369.962 3.116 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000969689614 762860536 /nfs/dbraw/zinc/86/05/36/762860536.db2.gz JWKHHOWMADPUOI-ZOCIIQOWSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000969689614 762860554 /nfs/dbraw/zinc/86/05/54/762860554.db2.gz JWKHHOWMADPUOI-ZOCIIQOWSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3Cl)CC2(C)C)CC[N@@H+]1C ZINC000974608295 763037254 /nfs/dbraw/zinc/03/72/54/763037254.db2.gz YNOCLJBGTCDGEF-KYJSFNMBSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3Cl)CC2(C)C)CC[N@H+]1C ZINC000974608295 763037255 /nfs/dbraw/zinc/03/72/55/763037255.db2.gz YNOCLJBGTCDGEF-KYJSFNMBSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974608295 763037264 /nfs/dbraw/zinc/03/72/64/763037264.db2.gz YNOCLJBGTCDGEF-KYJSFNMBSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974608295 763037272 /nfs/dbraw/zinc/03/72/72/763037272.db2.gz YNOCLJBGTCDGEF-KYJSFNMBSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000983714761 763663621 /nfs/dbraw/zinc/66/36/21/763663621.db2.gz XIGXYDGXKIBLJM-PCODUJHASA-N 2 1 363.933 3.055 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000997784177 765082856 /nfs/dbraw/zinc/08/28/56/765082856.db2.gz CEQVEVQQUOYADT-DNVCBOLYSA-N 2 1 363.933 3.008 20 0 FGADMP Cc1cc(Cl)ccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191286 765144586 /nfs/dbraw/zinc/14/45/86/765144586.db2.gz XDASYGCIIXJPAL-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC001022103935 765973412 /nfs/dbraw/zinc/97/34/12/765973412.db2.gz OWNUECBKXPULQU-REBRKWNGSA-N 2 1 370.324 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001026855713 766083185 /nfs/dbraw/zinc/08/31/85/766083185.db2.gz MCTRERQRMGQRQY-VDZJLULYSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001027416757 766092588 /nfs/dbraw/zinc/09/25/88/766092588.db2.gz LMRGKZJPJZGONN-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001027416757 766092592 /nfs/dbraw/zinc/09/25/92/766092592.db2.gz LMRGKZJPJZGONN-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC001027416757 766092597 /nfs/dbraw/zinc/09/25/97/766092597.db2.gz LMRGKZJPJZGONN-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC001027416757 766092602 /nfs/dbraw/zinc/09/26/02/766092602.db2.gz LMRGKZJPJZGONN-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cc(C)sc2C)CC[N@H+]1C ZINC001027892712 766104206 /nfs/dbraw/zinc/10/42/06/766104206.db2.gz CJHWCUGCCZGVQC-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cc(C)sc2C)CC[NH+]1C ZINC001027892712 766104209 /nfs/dbraw/zinc/10/42/09/766104209.db2.gz CJHWCUGCCZGVQC-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cc(C)sc2C)CC[NH+]1C ZINC001027892712 766104212 /nfs/dbraw/zinc/10/42/12/766104212.db2.gz CJHWCUGCCZGVQC-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001031683942 766184115 /nfs/dbraw/zinc/18/41/15/766184115.db2.gz DPBNOBAGKNVEAT-MDASCCDHSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001031683942 766184120 /nfs/dbraw/zinc/18/41/20/766184120.db2.gz DPBNOBAGKNVEAT-MDASCCDHSA-N 2 1 363.933 3.179 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095240 766206227 /nfs/dbraw/zinc/20/62/27/766206227.db2.gz VBIJWIZWGYOKAM-AYOQOUSVSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095240 766206230 /nfs/dbraw/zinc/20/62/30/766206230.db2.gz VBIJWIZWGYOKAM-AYOQOUSVSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095240 766206232 /nfs/dbraw/zinc/20/62/32/766206232.db2.gz VBIJWIZWGYOKAM-AYOQOUSVSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092717 766206306 /nfs/dbraw/zinc/20/63/06/766206306.db2.gz UIIGRIYHJHHLHJ-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092717 766206310 /nfs/dbraw/zinc/20/63/10/766206310.db2.gz UIIGRIYHJHHLHJ-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092717 766206311 /nfs/dbraw/zinc/20/63/11/766206311.db2.gz UIIGRIYHJHHLHJ-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092717 766206313 /nfs/dbraw/zinc/20/63/13/766206313.db2.gz UIIGRIYHJHHLHJ-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001052393860 766898977 /nfs/dbraw/zinc/89/89/77/766898977.db2.gz RTSJXRSUZSTWFV-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC001052393860 766898991 /nfs/dbraw/zinc/89/89/91/766898991.db2.gz RTSJXRSUZSTWFV-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC001052393860 766899003 /nfs/dbraw/zinc/89/90/03/766899003.db2.gz RTSJXRSUZSTWFV-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2CC[NH+](C)CC2)c1 ZINC000043180079 208302208 /nfs/dbraw/zinc/30/22/08/208302208.db2.gz FYVIKRVDNJDMJD-UHFFFAOYSA-N 2 1 355.486 3.271 20 0 FGADMP COc1ccccc1[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000249031017 257371270 /nfs/dbraw/zinc/37/12/70/257371270.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N1CCCCC1 ZINC000249031017 257371271 /nfs/dbraw/zinc/37/12/71/257371271.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccccc1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCCCC1 ZINC000249031017 257371272 /nfs/dbraw/zinc/37/12/72/257371272.db2.gz RCHRFUIQOIBPKB-SMLSOGCJSA-N 2 1 357.542 3.437 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)C1 ZINC000302129152 257384582 /nfs/dbraw/zinc/38/45/82/257384582.db2.gz BNSZAKZGSHNDHU-IYBDPMFKSA-N 2 1 352.482 3.271 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H](C)C1 ZINC000536848873 503739608 /nfs/dbraw/zinc/73/96/08/503739608.db2.gz YMIRATWKUISEQZ-QRVBRYPASA-N 2 1 370.603 3.158 20 0 FGADMP CC[C@@H](CNC(=O)c1ccccc1CC[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000567972652 505587264 /nfs/dbraw/zinc/58/72/64/505587264.db2.gz DNCIJYDJAGZIHT-NRFANRHFSA-N 2 1 365.521 3.015 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3c4ccccc4C[C@@H]3C)CC2)CC1 ZINC000568199677 505641836 /nfs/dbraw/zinc/64/18/36/505641836.db2.gz FLOWAPBGVYRLMA-HTAPYJJXSA-N 2 1 369.553 3.232 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000580111028 505679777 /nfs/dbraw/zinc/67/97/77/505679777.db2.gz NENIMLBONFHYAG-IBGZPJMESA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000580111028 505679781 /nfs/dbraw/zinc/67/97/81/505679781.db2.gz NENIMLBONFHYAG-IBGZPJMESA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000580111028 505679785 /nfs/dbraw/zinc/67/97/85/505679785.db2.gz NENIMLBONFHYAG-IBGZPJMESA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000047978698 493768304 /nfs/dbraw/zinc/76/83/04/493768304.db2.gz TVWINQMTJUYAOD-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000047978701 493769268 /nfs/dbraw/zinc/76/92/68/493769268.db2.gz XIFUDSMTKBGEQH-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000577163542 505677664 /nfs/dbraw/zinc/67/76/64/505677664.db2.gz ICTCGPQWQUKDPZ-LQWHRVPQSA-N 2 1 372.557 3.472 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000075768751 493777466 /nfs/dbraw/zinc/77/74/66/493777466.db2.gz TXYRFDHEZQQASB-KNQAVFIVSA-N 2 1 369.553 3.340 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000075842836 493784575 /nfs/dbraw/zinc/78/45/75/493784575.db2.gz ZZJWYGNUFIRTGX-UZLBHIALSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2cccc(F)c2)CC1 ZINC000075842836 493784579 /nfs/dbraw/zinc/78/45/79/493784579.db2.gz ZZJWYGNUFIRTGX-UZLBHIALSA-N 2 1 361.505 3.198 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000081293810 493861958 /nfs/dbraw/zinc/86/19/58/493861958.db2.gz MLFNGCRMAKBBKB-QFIPXVFZSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2c(F)cccc2F)cc1 ZINC000076331150 493866983 /nfs/dbraw/zinc/86/69/83/493866983.db2.gz MWTQWBBGTPFNRG-UHFFFAOYSA-N 2 1 373.447 3.080 20 0 FGADMP C[N@@H+](CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000069070705 493914804 /nfs/dbraw/zinc/91/48/04/493914804.db2.gz XJPUBFLRKNLPCV-UHFFFAOYSA-N 2 1 372.557 3.215 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630085 493932866 /nfs/dbraw/zinc/93/28/66/493932866.db2.gz HERASVMBABJPEI-MRXNPFEDSA-N 2 1 360.527 3.394 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630085 493932868 /nfs/dbraw/zinc/93/28/68/493932868.db2.gz HERASVMBABJPEI-MRXNPFEDSA-N 2 1 360.527 3.394 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630085 493932871 /nfs/dbraw/zinc/93/28/71/493932871.db2.gz HERASVMBABJPEI-MRXNPFEDSA-N 2 1 360.527 3.394 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630085 493932872 /nfs/dbraw/zinc/93/28/72/493932872.db2.gz HERASVMBABJPEI-MRXNPFEDSA-N 2 1 360.527 3.394 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000577226096 505691288 /nfs/dbraw/zinc/69/12/88/505691288.db2.gz BMAJLLXCJGQVJT-HXUWFJFHSA-N 2 1 369.896 3.223 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000577226096 505691291 /nfs/dbraw/zinc/69/12/91/505691291.db2.gz BMAJLLXCJGQVJT-HXUWFJFHSA-N 2 1 369.896 3.223 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000580171380 505694872 /nfs/dbraw/zinc/69/48/72/505694872.db2.gz DAZKVBODRCXTIC-XMSQKQJNSA-N 2 1 372.557 3.250 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000052442197 494026220 /nfs/dbraw/zinc/02/62/20/494026220.db2.gz SEPGBIQPHZPJKU-UHFFFAOYSA-N 2 1 361.559 3.488 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2csc(-c3cnn(C)c3)n2)CC1 ZINC000052442197 494026223 /nfs/dbraw/zinc/02/62/23/494026223.db2.gz SEPGBIQPHZPJKU-UHFFFAOYSA-N 2 1 361.559 3.488 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064227506 494106894 /nfs/dbraw/zinc/10/68/94/494106894.db2.gz YNMIYLPYXRAHEK-CEXWTWQISA-N 2 1 374.573 3.304 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064227506 494106897 /nfs/dbraw/zinc/10/68/97/494106897.db2.gz YNMIYLPYXRAHEK-CEXWTWQISA-N 2 1 374.573 3.304 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000064227506 494106902 /nfs/dbraw/zinc/10/69/02/494106902.db2.gz YNMIYLPYXRAHEK-CEXWTWQISA-N 2 1 374.573 3.304 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)c1 ZINC000064229420 494107598 /nfs/dbraw/zinc/10/75/98/494107598.db2.gz KGWKOYGXAVPQIO-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000064229420 494107600 /nfs/dbraw/zinc/10/76/00/494107600.db2.gz KGWKOYGXAVPQIO-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000064229420 494107603 /nfs/dbraw/zinc/10/76/03/494107603.db2.gz KGWKOYGXAVPQIO-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000085388337 494119850 /nfs/dbraw/zinc/11/98/50/494119850.db2.gz WWEYGNBJGSQPCN-PXNSSMCTSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000065441815 494197808 /nfs/dbraw/zinc/19/78/08/494197808.db2.gz RLXCWQJFKRSKFT-LJQANCHMSA-N 2 1 372.557 3.202 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000043036292 494259167 /nfs/dbraw/zinc/25/91/67/494259167.db2.gz KPGIJJRLQBQGCL-UHFFFAOYSA-N 2 1 372.557 3.046 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000043239793 494279317 /nfs/dbraw/zinc/27/93/17/494279317.db2.gz IJYHRNBGWZSYLH-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239793 494279320 /nfs/dbraw/zinc/27/93/20/494279320.db2.gz IJYHRNBGWZSYLH-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239793 494279324 /nfs/dbraw/zinc/27/93/24/494279324.db2.gz IJYHRNBGWZSYLH-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000078484780 494304418 /nfs/dbraw/zinc/30/44/18/494304418.db2.gz DXGUMXTVRLADGX-OALUTQOASA-N 2 1 372.513 3.265 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000580250755 505713267 /nfs/dbraw/zinc/71/32/67/505713267.db2.gz NOAHFRFHIPMUPF-UYAOXDASSA-N 3 1 361.599 3.457 20 0 FGADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000580250755 505713272 /nfs/dbraw/zinc/71/32/72/505713272.db2.gz NOAHFRFHIPMUPF-UYAOXDASSA-N 2 1 361.599 3.457 20 0 FGADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594440 494327567 /nfs/dbraw/zinc/32/75/67/494327567.db2.gz AZDOSTDZLOJTNH-LJQANCHMSA-N 2 1 373.541 3.053 20 0 FGADMP CC1CC[NH+](CCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000078948177 494383447 /nfs/dbraw/zinc/38/34/47/494383447.db2.gz IGTFIYTVTLMQOY-LJQANCHMSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CC)CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000073643866 494406799 /nfs/dbraw/zinc/40/67/99/494406799.db2.gz IQBIRYIAOWRUMY-UHFFFAOYSA-N 2 1 371.447 3.082 20 0 FGADMP CC[NH+](CC)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000073643866 494406804 /nfs/dbraw/zinc/40/68/04/494406804.db2.gz IQBIRYIAOWRUMY-UHFFFAOYSA-N 2 1 371.447 3.082 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079393783 494445867 /nfs/dbraw/zinc/44/58/67/494445867.db2.gz DTLYKSXBBBWYBO-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960855 494446416 /nfs/dbraw/zinc/44/64/16/494446416.db2.gz ZVRCNSRWHFMNID-LJQANCHMSA-N 2 1 371.569 3.404 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000079576895 494484756 /nfs/dbraw/zinc/48/47/56/494484756.db2.gz WVYQDVSNZRQBKO-UHFFFAOYSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000074224683 494500933 /nfs/dbraw/zinc/50/09/33/494500933.db2.gz FKKYKQDMDBMPFP-UHFFFAOYSA-N 2 1 372.488 3.317 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000574226590 505724644 /nfs/dbraw/zinc/72/46/44/505724644.db2.gz AQVURYUQJUCMIX-INIZCTEOSA-N 2 1 352.320 3.102 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000079688444 494508524 /nfs/dbraw/zinc/50/85/24/494508524.db2.gz AAKSDALZISRVNP-LJQANCHMSA-N 2 1 366.594 3.262 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000079710119 494512549 /nfs/dbraw/zinc/51/25/49/494512549.db2.gz RMZASWFNNBIZFW-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056503511 494516852 /nfs/dbraw/zinc/51/68/52/494516852.db2.gz FXWKIGPZYNSPGJ-RBUKOAKNSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000079849876 494535959 /nfs/dbraw/zinc/53/59/59/494535959.db2.gz YBAXVJQYSUWSMN-GOSISDBHSA-N 2 1 364.534 3.036 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1 ZINC000079849876 494535960 /nfs/dbraw/zinc/53/59/60/494535960.db2.gz YBAXVJQYSUWSMN-GOSISDBHSA-N 2 1 364.534 3.036 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237727 505726924 /nfs/dbraw/zinc/72/69/24/505726924.db2.gz UREYGUHRULNIOU-WMZOPIPTSA-N 2 1 351.560 3.197 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080056165 494577676 /nfs/dbraw/zinc/57/76/76/494577676.db2.gz LNNJMSQVJDOQIO-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000056864302 494579020 /nfs/dbraw/zinc/57/90/20/494579020.db2.gz FPNBGZZPDUGOCZ-HXUWFJFHSA-N 2 1 366.594 3.259 20 0 FGADMP COc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000091333549 494583693 /nfs/dbraw/zinc/58/36/93/494583693.db2.gz AMIBHMKXAGCKQX-RXVVDRJESA-N 2 1 373.541 3.104 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091333627 494584067 /nfs/dbraw/zinc/58/40/67/494584067.db2.gz CSBVSOOTKDMKFD-GOSISDBHSA-N 2 1 366.347 3.054 20 0 FGADMP Cc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000092360834 494605164 /nfs/dbraw/zinc/60/51/64/494605164.db2.gz BVMSHIJNCAMODY-OAQYLSRUSA-N 2 1 365.525 3.182 20 0 FGADMP Cc1ccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000092360834 494605172 /nfs/dbraw/zinc/60/51/72/494605172.db2.gz BVMSHIJNCAMODY-OAQYLSRUSA-N 2 1 365.525 3.182 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000568593899 505731045 /nfs/dbraw/zinc/73/10/45/505731045.db2.gz KUCOIIOIXFHMIW-BHDDXSALSA-N 2 1 363.505 3.318 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000568593899 505731050 /nfs/dbraw/zinc/73/10/50/505731050.db2.gz KUCOIIOIXFHMIW-BHDDXSALSA-N 2 1 363.505 3.318 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080161649 494619634 /nfs/dbraw/zinc/61/96/34/494619634.db2.gz DYTCHRQKVKHOJN-WLRLJWMZSA-N 2 1 372.557 3.212 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796604 494626237 /nfs/dbraw/zinc/62/62/37/494626237.db2.gz VYNCROKJFJGMBH-FUHWJXTLSA-N 2 1 366.575 3.114 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321972 505732237 /nfs/dbraw/zinc/73/22/37/505732237.db2.gz KZKQFCMXZHGGRN-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580321972 505732239 /nfs/dbraw/zinc/73/22/39/505732239.db2.gz KZKQFCMXZHGGRN-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580321972 505732243 /nfs/dbraw/zinc/73/22/43/505732243.db2.gz KZKQFCMXZHGGRN-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CC1(C)CC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000057152606 494658385 /nfs/dbraw/zinc/65/83/85/494658385.db2.gz WAYFGNXGWQHPTA-SFHVURJKSA-N 2 1 357.542 3.324 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000075007504 494671925 /nfs/dbraw/zinc/67/19/25/494671925.db2.gz AEFSZTJTDSUIFA-UHFFFAOYSA-N 2 1 372.513 3.368 20 0 FGADMP CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022649 494675900 /nfs/dbraw/zinc/67/59/00/494675900.db2.gz KLXIDJYUNXKABF-UWJYYQICSA-N 2 1 357.542 3.196 20 0 FGADMP CCn1c2ccccc2nc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587484 494678527 /nfs/dbraw/zinc/67/85/27/494678527.db2.gz LYICZHZGLVRPKV-HDICACEKSA-N 2 1 370.541 3.377 20 0 FGADMP CCn1c2ccccc2nc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587484 494678532 /nfs/dbraw/zinc/67/85/32/494678532.db2.gz LYICZHZGLVRPKV-HDICACEKSA-N 2 1 370.541 3.377 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000108368127 494690389 /nfs/dbraw/zinc/69/03/89/494690389.db2.gz VLXXXGUYZDBUSY-UHFFFAOYSA-N 2 1 368.319 3.240 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000057279937 494702020 /nfs/dbraw/zinc/70/20/20/494702020.db2.gz RERXCENPZNVAPW-PRJVBOEPSA-N 2 1 372.557 3.199 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000057279937 494702026 /nfs/dbraw/zinc/70/20/26/494702026.db2.gz RERXCENPZNVAPW-PRJVBOEPSA-N 2 1 372.557 3.199 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000057279937 494702032 /nfs/dbraw/zinc/70/20/32/494702032.db2.gz RERXCENPZNVAPW-PRJVBOEPSA-N 2 1 372.557 3.199 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1 ZINC000108427903 494704980 /nfs/dbraw/zinc/70/49/80/494704980.db2.gz POUNCXHSRILHSE-QGZVFWFLSA-N 2 1 355.482 3.101 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000108427903 494704986 /nfs/dbraw/zinc/70/49/86/494704986.db2.gz POUNCXHSRILHSE-QGZVFWFLSA-N 2 1 355.482 3.101 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4ccncc43)CC2)CC1 ZINC000580343626 505737167 /nfs/dbraw/zinc/73/71/67/505737167.db2.gz TUHMOYWZOWEGJI-UHFFFAOYSA-N 2 1 366.509 3.370 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]C3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000121351781 494715458 /nfs/dbraw/zinc/71/54/58/494715458.db2.gz LSIQUGZHFUHSHG-UHFFFAOYSA-N 2 1 350.510 3.305 20 0 FGADMP CC(C)c1ccc(CC[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000121372590 494726326 /nfs/dbraw/zinc/72/63/26/494726326.db2.gz VOGJPZIYDUYGNO-UHFFFAOYSA-N 2 1 371.569 3.229 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cn1 ZINC000092738673 494733146 /nfs/dbraw/zinc/73/31/46/494733146.db2.gz UEEFWXBRXIEOGD-LAUBAEHRSA-N 2 1 356.489 3.250 20 0 FGADMP CC(C)[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C)C(C)C ZINC000047683527 494758769 /nfs/dbraw/zinc/75/87/69/494758769.db2.gz DLEZJQUMKSVMEJ-UHFFFAOYSA-N 2 1 362.562 3.445 20 0 FGADMP Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000571469484 505740510 /nfs/dbraw/zinc/74/05/10/505740510.db2.gz ZIWHFBKFTOHUQG-GOSISDBHSA-N 2 1 357.498 3.047 20 0 FGADMP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000571469484 505740514 /nfs/dbraw/zinc/74/05/14/505740514.db2.gz ZIWHFBKFTOHUQG-GOSISDBHSA-N 2 1 357.498 3.047 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000121482632 494776439 /nfs/dbraw/zinc/77/64/39/494776439.db2.gz XIZZFIZIYHURGX-KBPBESRZSA-N 2 1 356.449 3.207 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)c(OC(F)F)c(C)c3)C2)CC1 ZINC000093132845 494830662 /nfs/dbraw/zinc/83/06/62/494830662.db2.gz HPAZAQDCYSNQAE-SFHVURJKSA-N 2 1 367.484 3.117 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000109338886 494862106 /nfs/dbraw/zinc/86/21/06/494862106.db2.gz GTAPBPBYIIDGRV-LJQANCHMSA-N 2 1 373.516 3.125 20 0 FGADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccsc2)cn2cc[nH+]c12 ZINC000571500506 505748002 /nfs/dbraw/zinc/74/80/02/505748002.db2.gz JCILYXYNGVVJKK-UHFFFAOYSA-N 2 1 357.483 3.300 20 0 FGADMP CCOC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093419259 494890721 /nfs/dbraw/zinc/89/07/21/494890721.db2.gz UTZJAYZTACGFRE-LJQANCHMSA-N 2 1 359.558 3.466 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093693731 494913903 /nfs/dbraw/zinc/91/39/03/494913903.db2.gz GAROPEKXIKENMM-SFHVURJKSA-N 2 1 358.486 3.121 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093693731 494913905 /nfs/dbraw/zinc/91/39/05/494913905.db2.gz GAROPEKXIKENMM-SFHVURJKSA-N 2 1 358.486 3.121 20 0 FGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000110032069 494941109 /nfs/dbraw/zinc/94/11/09/494941109.db2.gz ADJQCMGESYOEAW-MRXNPFEDSA-N 2 1 363.933 3.277 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1)CC1CC1 ZINC000577575593 505756119 /nfs/dbraw/zinc/75/61/19/505756119.db2.gz QPVVGQYFQWNBTD-UHFFFAOYSA-N 2 1 359.514 3.202 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000128162048 495054550 /nfs/dbraw/zinc/05/45/50/495054550.db2.gz DBRCFGHCMAJWNW-INIZCTEOSA-N 2 1 353.466 3.481 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000118964083 495059547 /nfs/dbraw/zinc/05/95/47/495059547.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118964083 495059552 /nfs/dbraw/zinc/05/95/52/495059552.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000118964083 495059555 /nfs/dbraw/zinc/05/95/55/495059555.db2.gz ULHJETRTXULICO-HJNYFJLDSA-N 2 1 361.574 3.324 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000119018372 495071786 /nfs/dbraw/zinc/07/17/86/495071786.db2.gz VUDURCCLDONQDH-HXUWFJFHSA-N 2 1 367.541 3.013 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000111453130 495076180 /nfs/dbraw/zinc/07/61/80/495076180.db2.gz ZPYKBMLDZHVXNY-GOSISDBHSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111474121 495079875 /nfs/dbraw/zinc/07/98/75/495079875.db2.gz NWTSSQOJPOGMFS-QGZVFWFLSA-N 2 1 360.546 3.069 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(CCc3ccccc3)no2)CC1 ZINC000123355744 495119233 /nfs/dbraw/zinc/11/92/33/495119233.db2.gz VODZPSUSMZTYSV-UHFFFAOYSA-N 2 1 356.514 3.409 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccc(Cl)cc4)CCC3)cn2)CC1 ZINC000134259717 495127413 /nfs/dbraw/zinc/12/74/13/495127413.db2.gz ZUSAUBBMOFVEDT-UHFFFAOYSA-N 2 1 371.916 3.051 20 0 FGADMP COc1cccc2c(N3CCC(OCCC[NH+](C)C)CC3)cc(C)[nH+]c12 ZINC000128681360 495135081 /nfs/dbraw/zinc/13/50/81/495135081.db2.gz ZYJRZRSMDDYWPT-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP COc1ccc(Oc2ccc(C[NH2+]C3(CCO)CC[NH+](C)CC3)cc2)cc1 ZINC000571580947 505765803 /nfs/dbraw/zinc/76/58/03/505765803.db2.gz FMEOIHGCUGXNJQ-UHFFFAOYSA-N 2 1 370.493 3.424 20 0 FGADMP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000134652563 495181493 /nfs/dbraw/zinc/18/14/93/495181493.db2.gz ZVYVLHLFCNIPQE-GHTZIAJQSA-N 2 1 372.557 3.338 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000129161823 495205165 /nfs/dbraw/zinc/20/51/65/495205165.db2.gz CJECOLLCWWUJNZ-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000129161823 495205167 /nfs/dbraw/zinc/20/51/67/495205167.db2.gz CJECOLLCWWUJNZ-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000129161823 495205171 /nfs/dbraw/zinc/20/51/71/495205171.db2.gz CJECOLLCWWUJNZ-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159543 495205201 /nfs/dbraw/zinc/20/52/01/495205201.db2.gz CUYIHLDVASZGRX-PBHICJAKSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159543 495205204 /nfs/dbraw/zinc/20/52/04/495205204.db2.gz CUYIHLDVASZGRX-PBHICJAKSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159543 495205208 /nfs/dbraw/zinc/20/52/08/495205208.db2.gz CUYIHLDVASZGRX-PBHICJAKSA-N 2 1 353.304 3.244 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000103228002 495206055 /nfs/dbraw/zinc/20/60/55/495206055.db2.gz MSMYGYJBIQIPOA-NRFANRHFSA-N 2 1 372.509 3.001 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000103236751 495207465 /nfs/dbraw/zinc/20/74/65/495207465.db2.gz XXSIUFGSVIDIMF-VQTJNVASSA-N 2 1 364.578 3.016 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCC[NH+](C)C1 ZINC000112657752 495218416 /nfs/dbraw/zinc/21/84/16/495218416.db2.gz ROBCIILNHGIMFU-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCC[N@H+](C)C1 ZINC000112657752 495218419 /nfs/dbraw/zinc/21/84/19/495218419.db2.gz ROBCIILNHGIMFU-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1Br)C[C@H]1CCC[N@@H+](C)C1 ZINC000112657752 495218422 /nfs/dbraw/zinc/21/84/22/495218422.db2.gz ROBCIILNHGIMFU-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000129272002 495220743 /nfs/dbraw/zinc/22/07/43/495220743.db2.gz VBRQDOJYBZFBMD-HBFSDRIKSA-N 2 1 374.573 3.488 20 0 FGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000129406848 495241089 /nfs/dbraw/zinc/24/10/89/495241089.db2.gz CPXDSFSQACXWNZ-MRXNPFEDSA-N 2 1 372.431 3.128 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1Cl ZINC000568749280 505769364 /nfs/dbraw/zinc/76/93/64/505769364.db2.gz HXCZRLIHWMLTAX-VQIMIIECSA-N 2 1 361.917 3.157 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000120072973 495300749 /nfs/dbraw/zinc/30/07/49/495300749.db2.gz WBVXOLWIKUVVCF-UHFFFAOYSA-N 2 1 371.529 3.263 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000120072973 495300752 /nfs/dbraw/zinc/30/07/52/495300752.db2.gz WBVXOLWIKUVVCF-UHFFFAOYSA-N 2 1 371.529 3.263 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000120097883 495306347 /nfs/dbraw/zinc/30/63/47/495306347.db2.gz HZEUACGLYUJYGI-UTKZUKDTSA-N 2 1 356.514 3.188 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120107110 495308436 /nfs/dbraw/zinc/30/84/36/495308436.db2.gz QHSHZYVNPRKMCE-GTYQWKCWSA-N 2 1 364.574 3.257 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)[C@H](C)c3ccccc3)CC2)oc1C ZINC000574445315 505775120 /nfs/dbraw/zinc/77/51/20/505775120.db2.gz YTHNJLVGAFETHM-IIBYNOLFSA-N 2 1 371.525 3.258 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)cc1 ZINC000105093571 495335825 /nfs/dbraw/zinc/33/58/25/495335825.db2.gz CARCCDGHNAZIML-HXUWFJFHSA-N 2 1 360.546 3.060 20 0 FGADMP COC(=O)[C@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130105169 495342537 /nfs/dbraw/zinc/34/25/37/495342537.db2.gz UEPPSPNOEUNELG-FQEVSTJZSA-N 2 1 353.466 3.144 20 0 FGADMP COC(=O)[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130105169 495342540 /nfs/dbraw/zinc/34/25/40/495342540.db2.gz UEPPSPNOEUNELG-FQEVSTJZSA-N 2 1 353.466 3.144 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)c1 ZINC000105207316 495345037 /nfs/dbraw/zinc/34/50/37/495345037.db2.gz AEJASLMXYHBIKS-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105207316 495345043 /nfs/dbraw/zinc/34/50/43/495345043.db2.gz AEJASLMXYHBIKS-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000105207316 495345044 /nfs/dbraw/zinc/34/50/44/495345044.db2.gz AEJASLMXYHBIKS-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000105207397 495345065 /nfs/dbraw/zinc/34/50/65/495345065.db2.gz SSWQCSMOLJCZGY-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000105293927 495353480 /nfs/dbraw/zinc/35/34/80/495353480.db2.gz XHBNKIAWGQQCFS-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105293927 495353482 /nfs/dbraw/zinc/35/34/82/495353482.db2.gz XHBNKIAWGQQCFS-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000105293927 495353486 /nfs/dbraw/zinc/35/34/86/495353486.db2.gz XHBNKIAWGQQCFS-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCSc3ccccc3F)C2)CC1 ZINC000136064858 495353989 /nfs/dbraw/zinc/35/39/89/495353989.db2.gz UOLWRGOVBFDRKQ-KRWDZBQOSA-N 2 1 351.535 3.020 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCSc3ccccc3F)C2)CC1 ZINC000136064858 495353995 /nfs/dbraw/zinc/35/39/95/495353995.db2.gz UOLWRGOVBFDRKQ-KRWDZBQOSA-N 2 1 351.535 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000124994881 495375796 /nfs/dbraw/zinc/37/57/96/495375796.db2.gz JGLVUJOMXPUFDJ-IBGZPJMESA-N 2 1 354.498 3.114 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000124994881 495375801 /nfs/dbraw/zinc/37/58/01/495375801.db2.gz JGLVUJOMXPUFDJ-IBGZPJMESA-N 2 1 354.498 3.114 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2cccc3ccccc32)CC1 ZINC000114456192 495376707 /nfs/dbraw/zinc/37/67/07/495376707.db2.gz BZWUGCQSWKYAOR-UHFFFAOYSA-N 2 1 367.537 3.303 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136577346 495387581 /nfs/dbraw/zinc/38/75/81/495387581.db2.gz XKHHZOJXYYFEMH-NHCUHLMSSA-N 2 1 372.557 3.154 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130432507 495391058 /nfs/dbraw/zinc/39/10/58/495391058.db2.gz JLDIKXVJKOYZJI-CYBMUJFWSA-N 2 1 364.877 3.203 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130432507 495391061 /nfs/dbraw/zinc/39/10/61/495391061.db2.gz JLDIKXVJKOYZJI-CYBMUJFWSA-N 2 1 364.877 3.203 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114644616 495404033 /nfs/dbraw/zinc/40/40/33/495404033.db2.gz YLJXQYQQBHEZMQ-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000120556207 495404472 /nfs/dbraw/zinc/40/44/72/495404472.db2.gz WQUNGSXIKOGKCH-KRWDZBQOSA-N 2 1 354.542 3.265 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000130548357 495409536 /nfs/dbraw/zinc/40/95/36/495409536.db2.gz XAKOLSHWILWXEJ-GJZGRUSLSA-N 2 1 362.905 3.433 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000130548357 495409539 /nfs/dbraw/zinc/40/95/39/495409539.db2.gz XAKOLSHWILWXEJ-GJZGRUSLSA-N 2 1 362.905 3.433 20 0 FGADMP C[N@@H+](C[C@H](O)CN[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543615 505782701 /nfs/dbraw/zinc/78/27/01/505782701.db2.gz LMFBAAUUAIOWHC-WIYYLYMNSA-N 2 1 352.478 3.222 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000130880698 495460932 /nfs/dbraw/zinc/46/09/32/495460932.db2.gz FGBVLTZPOCIWOJ-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP c1ccc(-n2nc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)c3c2CCC3)cc1 ZINC000154156876 495530485 /nfs/dbraw/zinc/53/04/85/495530485.db2.gz XLXACVQVZNWHPR-LJQANCHMSA-N 2 1 360.461 3.409 20 0 FGADMP c1ccc(-n2nc(C[N@H+]3CC[C@@H](Oc4ccncc4)C3)c3c2CCC3)cc1 ZINC000154156876 495530488 /nfs/dbraw/zinc/53/04/88/495530488.db2.gz XLXACVQVZNWHPR-LJQANCHMSA-N 2 1 360.461 3.409 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580569169 505788503 /nfs/dbraw/zinc/78/85/03/505788503.db2.gz CAGDHRGXVOFXQE-RBBKRZOGSA-N 2 1 355.526 3.033 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000182405183 495551497 /nfs/dbraw/zinc/55/14/97/495551497.db2.gz SMAZPDUHRVPAJI-UHFFFAOYSA-N 2 1 367.484 3.025 20 0 FGADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000170689710 495567752 /nfs/dbraw/zinc/56/77/52/495567752.db2.gz ITEVEJHNLQXSJV-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000170689710 495567755 /nfs/dbraw/zinc/56/77/55/495567755.db2.gz ITEVEJHNLQXSJV-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000150751247 495621656 /nfs/dbraw/zinc/62/16/56/495621656.db2.gz QFVCBVSMAYVICF-OAQYLSRUSA-N 2 1 374.573 3.046 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182576982 495622271 /nfs/dbraw/zinc/62/22/71/495622271.db2.gz GRZBQRBRWACTDA-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769847 495628649 /nfs/dbraw/zinc/62/86/49/495628649.db2.gz RRHSYSAYOPYLRA-SFTDATJTSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000176431321 495647964 /nfs/dbraw/zinc/64/79/64/495647964.db2.gz LNOSDIMEONXBTI-UXPWSPDFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000176431321 495647969 /nfs/dbraw/zinc/64/79/69/495647969.db2.gz LNOSDIMEONXBTI-UXPWSPDFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000176431321 495647977 /nfs/dbraw/zinc/64/79/77/495647977.db2.gz LNOSDIMEONXBTI-UXPWSPDFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000176431321 495647981 /nfs/dbraw/zinc/64/79/81/495647981.db2.gz LNOSDIMEONXBTI-UXPWSPDFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669422 495670854 /nfs/dbraw/zinc/67/08/54/495670854.db2.gz PUGGRQMPCHFFGT-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669422 495670856 /nfs/dbraw/zinc/67/08/56/495670856.db2.gz PUGGRQMPCHFFGT-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678402 495675281 /nfs/dbraw/zinc/67/52/81/495675281.db2.gz ZMWRCPWGYPIJBV-WSTZPKSXSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678402 495675286 /nfs/dbraw/zinc/67/52/86/495675286.db2.gz ZMWRCPWGYPIJBV-WSTZPKSXSA-N 2 1 357.542 3.276 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1 ZINC000182751643 495689367 /nfs/dbraw/zinc/68/93/67/495689367.db2.gz UUMRPGYHOSOUTP-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000171013884 495689896 /nfs/dbraw/zinc/68/98/96/495689896.db2.gz SARQPVAZVXOBNM-NRFANRHFSA-N 2 1 353.510 3.400 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000185711448 495691845 /nfs/dbraw/zinc/69/18/45/495691845.db2.gz DLDKSNKGRQTQTN-ZIFCJYIRSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000185711448 495691850 /nfs/dbraw/zinc/69/18/50/495691850.db2.gz DLDKSNKGRQTQTN-ZIFCJYIRSA-N 2 1 371.525 3.043 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722808 495697501 /nfs/dbraw/zinc/69/75/01/495697501.db2.gz ZZZVBNUMEQZTDT-OALUTQOASA-N 2 1 369.553 3.077 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722808 495697505 /nfs/dbraw/zinc/69/75/05/495697505.db2.gz ZZZVBNUMEQZTDT-OALUTQOASA-N 2 1 369.553 3.077 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902310 495739526 /nfs/dbraw/zinc/73/95/26/495739526.db2.gz NKLONAQDHHOQRK-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902310 495739528 /nfs/dbraw/zinc/73/95/28/495739528.db2.gz NKLONAQDHHOQRK-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902310 495739531 /nfs/dbraw/zinc/73/95/31/495739531.db2.gz NKLONAQDHHOQRK-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902310 495739534 /nfs/dbraw/zinc/73/95/34/495739534.db2.gz NKLONAQDHHOQRK-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902310 495739535 /nfs/dbraw/zinc/73/95/35/495739535.db2.gz NKLONAQDHHOQRK-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955008 495762392 /nfs/dbraw/zinc/76/23/92/495762392.db2.gz NEYVYTKQPXHSLW-UHFFFAOYSA-N 2 1 373.541 3.325 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000179903339 495776690 /nfs/dbraw/zinc/77/66/90/495776690.db2.gz VKAVMJYPGBTMQU-TZMCWYRMSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1C ZINC000179903339 495776695 /nfs/dbraw/zinc/77/66/95/495776695.db2.gz VKAVMJYPGBTMQU-TZMCWYRMSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903339 495776699 /nfs/dbraw/zinc/77/66/99/495776699.db2.gz VKAVMJYPGBTMQU-TZMCWYRMSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903339 495776703 /nfs/dbraw/zinc/77/67/03/495776703.db2.gz VKAVMJYPGBTMQU-TZMCWYRMSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568897737 505803036 /nfs/dbraw/zinc/80/30/36/505803036.db2.gz ALGXCJGSJQMJEG-PGRDOPGGSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568897737 505803038 /nfs/dbraw/zinc/80/30/38/505803038.db2.gz ALGXCJGSJQMJEG-PGRDOPGGSA-N 2 1 366.509 3.103 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174148897 495837914 /nfs/dbraw/zinc/83/79/14/495837914.db2.gz WMUMMTIHHGGKRM-IBGZPJMESA-N 2 1 372.557 3.154 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2C)cc1 ZINC000183139462 495850237 /nfs/dbraw/zinc/85/02/37/495850237.db2.gz BFSPLGXPNRHHDH-QGZVFWFLSA-N 2 1 362.477 3.456 20 0 FGADMP CCN(C(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C1CCCCC1 ZINC000155173256 495861707 /nfs/dbraw/zinc/86/17/07/495861707.db2.gz BDALQSSPVXYSEU-KRWDZBQOSA-N 2 1 360.546 3.244 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000183187125 495872868 /nfs/dbraw/zinc/87/28/68/495872868.db2.gz ILXRSRDEWYLDFF-SOLBZPMBSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000183187125 495872869 /nfs/dbraw/zinc/87/28/69/495872869.db2.gz ILXRSRDEWYLDFF-SOLBZPMBSA-N 2 1 364.555 3.394 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264594 495887092 /nfs/dbraw/zinc/88/70/92/495887092.db2.gz UWCPZISPQWPPET-OTWHNJEPSA-N 2 1 366.594 3.116 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264594 495887095 /nfs/dbraw/zinc/88/70/95/495887095.db2.gz UWCPZISPQWPPET-OTWHNJEPSA-N 2 1 366.594 3.116 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264594 495887100 /nfs/dbraw/zinc/88/71/00/495887100.db2.gz UWCPZISPQWPPET-OTWHNJEPSA-N 2 1 366.594 3.116 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000177051163 495902129 /nfs/dbraw/zinc/90/21/29/495902129.db2.gz PNVFRLJDIVZLAH-GOSISDBHSA-N 2 1 354.922 3.024 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)cc1 ZINC000571773783 505812130 /nfs/dbraw/zinc/81/21/30/505812130.db2.gz BQXRBXBMOUQBJV-ZWKOTPCHSA-N 2 1 354.841 3.163 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000174354817 495925276 /nfs/dbraw/zinc/92/52/76/495925276.db2.gz LUBDIGFKDNALRI-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP Cc1nn(C)c2ncc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000174401902 495943319 /nfs/dbraw/zinc/94/33/19/495943319.db2.gz GLJSOUQCBHSWTA-IBGZPJMESA-N 2 1 363.509 3.231 20 0 FGADMP Cc1nn(C)c2ncc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000174401902 495943325 /nfs/dbraw/zinc/94/33/25/495943325.db2.gz GLJSOUQCBHSWTA-IBGZPJMESA-N 2 1 363.509 3.231 20 0 FGADMP Cc1nn(C)c2ncc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000174401902 495943332 /nfs/dbraw/zinc/94/33/32/495943332.db2.gz GLJSOUQCBHSWTA-IBGZPJMESA-N 2 1 363.509 3.231 20 0 FGADMP Cc1nn(C)c2ncc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000174401902 495943335 /nfs/dbraw/zinc/94/33/35/495943335.db2.gz GLJSOUQCBHSWTA-IBGZPJMESA-N 2 1 363.509 3.231 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000177325559 496018408 /nfs/dbraw/zinc/01/84/08/496018408.db2.gz MYISPCDRALIAET-GOSISDBHSA-N 2 1 359.514 3.028 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000571815026 505819631 /nfs/dbraw/zinc/81/96/31/505819631.db2.gz OUNRGADKHVGYDF-ICSRJNTNSA-N 2 1 365.521 3.218 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000174688030 496063439 /nfs/dbraw/zinc/06/34/39/496063439.db2.gz XXIAVKYBCBWFQZ-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc4nccn43)CC2)C[C@H](C)O1 ZINC000180633257 496078922 /nfs/dbraw/zinc/07/89/22/496078922.db2.gz JNYUSUHOYHDQRL-HDICACEKSA-N 2 1 356.514 3.046 20 0 FGADMP C[C@@H](c1ccccc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000171931713 496098066 /nfs/dbraw/zinc/09/80/66/496098066.db2.gz JXOVTGXJJNCMGB-INIZCTEOSA-N 2 1 363.933 3.277 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709622 496167483 /nfs/dbraw/zinc/16/74/83/496167483.db2.gz YMZNQZVTUPHHRH-UYAOXDASSA-N 2 1 373.541 3.496 20 0 FGADMP CN(CC[N@@H+](C)CCOc1ccccc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000180930877 496205157 /nfs/dbraw/zinc/20/51/57/496205157.db2.gz RGOWNENCKLBRRM-UHFFFAOYSA-N 2 1 373.463 3.042 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187056400 496272978 /nfs/dbraw/zinc/27/29/78/496272978.db2.gz UESCYAGBMNXTID-OAQYLSRUSA-N 2 1 372.557 3.069 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)c2)cc1 ZINC000574700339 505835322 /nfs/dbraw/zinc/83/53/22/505835322.db2.gz NVLZGFXCHLJAGN-MAUKXSAKSA-N 2 1 353.466 3.259 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)c2)cc1 ZINC000574700339 505835327 /nfs/dbraw/zinc/83/53/27/505835327.db2.gz NVLZGFXCHLJAGN-MAUKXSAKSA-N 2 1 353.466 3.259 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000178036609 496297946 /nfs/dbraw/zinc/29/79/46/496297946.db2.gz GQCIQDHXRUBPRY-KSZLIROESA-N 2 1 362.514 3.388 20 0 FGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C3CCOCC3)c2C1 ZINC000162157746 496305469 /nfs/dbraw/zinc/30/54/69/496305469.db2.gz INLHKBQPEACHPN-OAQYLSRUSA-N 2 1 371.525 3.240 20 0 FGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)c2C1 ZINC000162157746 496305474 /nfs/dbraw/zinc/30/54/74/496305474.db2.gz INLHKBQPEACHPN-OAQYLSRUSA-N 2 1 371.525 3.240 20 0 FGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCOCC3)c2C1 ZINC000162157746 496305480 /nfs/dbraw/zinc/30/54/80/496305480.db2.gz INLHKBQPEACHPN-OAQYLSRUSA-N 2 1 371.525 3.240 20 0 FGADMP COc1c(C)cnc(CN(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000178168064 496354097 /nfs/dbraw/zinc/35/40/97/496354097.db2.gz HQXDCUMDLMEPQB-QGZVFWFLSA-N 2 1 359.514 3.320 20 0 FGADMP COc1c(C)cnc(CN(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1C ZINC000178168078 496354462 /nfs/dbraw/zinc/35/44/62/496354462.db2.gz HQXDCUMDLMEPQB-KRWDZBQOSA-N 2 1 359.514 3.320 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187290940 496379707 /nfs/dbraw/zinc/37/97/07/496379707.db2.gz LIATVERUHKLUNA-LSDHHAIUSA-N 2 1 361.511 3.045 20 0 FGADMP COC(=O)[C@H](c1cccnc1)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157078364 496400999 /nfs/dbraw/zinc/40/09/99/496400999.db2.gz CTLUSEVMYQZEED-PXNSSMCTSA-N 2 1 359.514 3.272 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796697 496414071 /nfs/dbraw/zinc/41/40/71/496414071.db2.gz UJSBPJQXZPIVSN-SLYNCCJLSA-N 2 1 360.542 3.140 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796697 496414074 /nfs/dbraw/zinc/41/40/74/496414074.db2.gz UJSBPJQXZPIVSN-SLYNCCJLSA-N 2 1 360.542 3.140 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796697 496414078 /nfs/dbraw/zinc/41/40/78/496414078.db2.gz UJSBPJQXZPIVSN-SLYNCCJLSA-N 2 1 360.542 3.140 20 0 FGADMP C[C@@H](OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418177 /nfs/dbraw/zinc/41/81/77/496418177.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418183 /nfs/dbraw/zinc/41/81/83/496418183.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820779 496418187 /nfs/dbraw/zinc/41/81/87/496418187.db2.gz MEJMZKUHMRWOGG-WSTLGDPDSA-N 2 1 366.933 3.195 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccc(F)cc2C1 ZINC000184516640 496419362 /nfs/dbraw/zinc/41/93/62/496419362.db2.gz IFTPBMZVXLOVNQ-FQEVSTJZSA-N 2 1 361.505 3.472 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000162841760 496420327 /nfs/dbraw/zinc/42/03/27/496420327.db2.gz OGEWKWCRZSLAFF-HXUWFJFHSA-N 2 1 364.578 3.014 20 0 FGADMP CC1(C)CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000178405631 496444770 /nfs/dbraw/zinc/44/47/70/496444770.db2.gz XVVOAAYJESSYFM-LJQANCHMSA-N 2 1 359.514 3.016 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000163310806 496496815 /nfs/dbraw/zinc/49/68/15/496496815.db2.gz HTKJYCXHNLXZDQ-IRXDYDNUSA-N 2 1 364.555 3.395 20 0 FGADMP C[C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000178662451 496532829 /nfs/dbraw/zinc/53/28/29/496532829.db2.gz HMRUGEXOFPAZBH-IIDMSEBBSA-N 2 1 351.922 3.085 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175781866 496543636 /nfs/dbraw/zinc/54/36/36/496543636.db2.gz YQNWSCWHFIRWGE-CTNGQTDRSA-N 2 1 374.573 3.413 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178697307 496544434 /nfs/dbraw/zinc/54/44/34/496544434.db2.gz SEYJOBGCNUIQES-HUUCEWRRSA-N 2 1 355.486 3.462 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCn3cccn3)CC2)cs1 ZINC000157786189 496554698 /nfs/dbraw/zinc/55/46/98/496554698.db2.gz NOPBRHFBQWLDLP-MRXNPFEDSA-N 2 1 361.559 3.182 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000184967913 496604621 /nfs/dbraw/zinc/60/46/21/496604621.db2.gz XNXIFQFBOQXNBB-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158100356 496627466 /nfs/dbraw/zinc/62/74/66/496627466.db2.gz ZHIOMLWLAQWWCU-ZIAGYGMSSA-N 2 1 368.319 3.098 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158134458 496635686 /nfs/dbraw/zinc/63/56/86/496635686.db2.gz ULIMMLGCRQCRSK-KBPBESRZSA-N 2 1 357.420 3.354 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000158186415 496645917 /nfs/dbraw/zinc/64/59/17/496645917.db2.gz OJZFVQIPGROSJH-JOCHJYFZSA-N 2 1 356.485 3.026 20 0 FGADMP C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182054140 496651735 /nfs/dbraw/zinc/65/17/35/496651735.db2.gz XVGIDGCSTIRONA-OPYAIIAOSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000173387884 496669810 /nfs/dbraw/zinc/66/98/10/496669810.db2.gz QWRGLMNUFPHUMB-OAHLLOKOSA-N 2 1 368.363 3.373 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000182107804 496671931 /nfs/dbraw/zinc/67/19/31/496671931.db2.gz AGSGFORHWGVTLT-QZTJIDSGSA-N 2 1 357.523 3.304 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166559118 496689536 /nfs/dbraw/zinc/68/95/36/496689536.db2.gz GPZIRHNZOPXUMP-LPHOPBHVSA-N 2 1 364.497 3.234 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000182270959 496724345 /nfs/dbraw/zinc/72/43/45/496724345.db2.gz SDQDTXYNEZCLDL-BEFAXECRSA-N 2 1 358.457 3.252 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000268560197 496735206 /nfs/dbraw/zinc/73/52/06/496735206.db2.gz OUUSQDNQBZIMAP-IBGZPJMESA-N 2 1 362.493 3.286 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000246993850 496745386 /nfs/dbraw/zinc/74/53/86/496745386.db2.gz OJWXLTDPNLAXIS-GUDVDZBRSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993850 496745391 /nfs/dbraw/zinc/74/53/91/496745391.db2.gz OJWXLTDPNLAXIS-GUDVDZBRSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993850 496745393 /nfs/dbraw/zinc/74/53/93/496745393.db2.gz OJWXLTDPNLAXIS-GUDVDZBRSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993850 496745396 /nfs/dbraw/zinc/74/53/96/496745396.db2.gz OJWXLTDPNLAXIS-GUDVDZBRSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993850 496745399 /nfs/dbraw/zinc/74/53/99/496745399.db2.gz OJWXLTDPNLAXIS-GUDVDZBRSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997371 496746602 /nfs/dbraw/zinc/74/66/02/496746602.db2.gz KNYQOTRMZBPFNF-SFHLNBCPSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997371 496746606 /nfs/dbraw/zinc/74/66/06/496746606.db2.gz KNYQOTRMZBPFNF-SFHLNBCPSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997371 496746611 /nfs/dbraw/zinc/74/66/11/496746611.db2.gz KNYQOTRMZBPFNF-SFHLNBCPSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997371 496746617 /nfs/dbraw/zinc/74/66/17/496746617.db2.gz KNYQOTRMZBPFNF-SFHLNBCPSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000247001663 496748327 /nfs/dbraw/zinc/74/83/27/496748327.db2.gz OYZHXBMXPRFVQH-HKUYNNGSSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000247021432 496754518 /nfs/dbraw/zinc/75/45/18/496754518.db2.gz PEFWJYHAMGTHRM-SWLSCSKDSA-N 2 1 371.319 3.286 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000247021432 496754523 /nfs/dbraw/zinc/75/45/23/496754523.db2.gz PEFWJYHAMGTHRM-SWLSCSKDSA-N 2 1 371.319 3.286 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000247026902 496756492 /nfs/dbraw/zinc/75/64/92/496756492.db2.gz NHDIJKSOXAQBRU-NPPFBWRTSA-N 3 1 359.558 3.226 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000247026902 496756495 /nfs/dbraw/zinc/75/64/95/496756495.db2.gz NHDIJKSOXAQBRU-NPPFBWRTSA-N 2 1 359.558 3.226 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748620 496772870 /nfs/dbraw/zinc/77/28/70/496772870.db2.gz ISLSTFOLDCLMII-QUCCMNQESA-N 2 1 367.541 3.047 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774329 496781070 /nfs/dbraw/zinc/78/10/70/496781070.db2.gz RCZPPBLMGVIICR-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774329 496781075 /nfs/dbraw/zinc/78/10/75/496781075.db2.gz RCZPPBLMGVIICR-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000268784384 496784241 /nfs/dbraw/zinc/78/42/41/496784241.db2.gz AWUNYDMIWHHNOA-JTSKRJEESA-N 2 1 367.541 3.123 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)c1ccccc1 ZINC000247122584 496785573 /nfs/dbraw/zinc/78/55/73/496785573.db2.gz UUFAIBCCHJKLLU-YYWHXJBOSA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)c1ccccc1 ZINC000247122584 496785578 /nfs/dbraw/zinc/78/55/78/496785578.db2.gz UUFAIBCCHJKLLU-YYWHXJBOSA-N 2 1 357.542 3.244 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000268784708 496785693 /nfs/dbraw/zinc/78/56/93/496785693.db2.gz JVVMSZKXDHIXSK-QFBILLFUSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000268784708 496785697 /nfs/dbraw/zinc/78/56/97/496785697.db2.gz JVVMSZKXDHIXSK-QFBILLFUSA-N 2 1 352.482 3.154 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000273371474 496786219 /nfs/dbraw/zinc/78/62/19/496786219.db2.gz GWKDJYMIYBWTLY-GOSISDBHSA-N 2 1 374.573 3.399 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000191513403 496792557 /nfs/dbraw/zinc/79/25/57/496792557.db2.gz QSNQUGOGMFBSNV-CRAIPNDOSA-N 2 1 350.528 3.059 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843044 496801993 /nfs/dbraw/zinc/80/19/93/496801993.db2.gz BAKBMVVAZYJMID-PIPMEXSNSA-N 2 1 354.494 3.371 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843044 496801997 /nfs/dbraw/zinc/80/19/97/496801997.db2.gz BAKBMVVAZYJMID-PIPMEXSNSA-N 2 1 354.494 3.371 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCC1 ZINC000268856975 496805905 /nfs/dbraw/zinc/80/59/05/496805905.db2.gz LPXQUTILNDOXHF-ZIAGYGMSSA-N 2 1 360.470 3.065 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000268857018 496805976 /nfs/dbraw/zinc/80/59/76/496805976.db2.gz LTDDPADTJHZVFA-CYBMUJFWSA-N 2 1 358.877 3.475 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1SC(F)F ZINC000268871156 496810238 /nfs/dbraw/zinc/81/02/38/496810238.db2.gz VIPGTDSVKASJOU-JSGCOSHPSA-N 2 1 360.470 3.117 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247351098 496842354 /nfs/dbraw/zinc/84/23/54/496842354.db2.gz BCRQKHQDYPDZBI-MAUKXSAKSA-N 2 1 352.906 3.329 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247351098 496842358 /nfs/dbraw/zinc/84/23/58/496842358.db2.gz BCRQKHQDYPDZBI-MAUKXSAKSA-N 2 1 352.906 3.329 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000269061927 496862098 /nfs/dbraw/zinc/86/20/98/496862098.db2.gz XYKDZTOACCULNS-FQEVSTJZSA-N 2 1 373.541 3.211 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247459900 496863200 /nfs/dbraw/zinc/86/32/00/496863200.db2.gz QJQRPXAVIHSRJL-XIBWBMNSSA-N 2 1 364.578 3.059 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C1 ZINC000578134853 505870659 /nfs/dbraw/zinc/87/06/59/505870659.db2.gz HPAPORODQRGCJY-WMLDXEAASA-N 2 1 364.440 3.150 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000247518605 496879168 /nfs/dbraw/zinc/87/91/68/496879168.db2.gz NDQXJCNVUYPSIP-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000247518605 496879164 /nfs/dbraw/zinc/87/91/64/496879164.db2.gz NDQXJCNVUYPSIP-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000269138114 496879241 /nfs/dbraw/zinc/87/92/41/496879241.db2.gz WPAASULJTMENKL-KRWDZBQOSA-N 2 1 373.476 3.254 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000269138114 496879246 /nfs/dbraw/zinc/87/92/46/496879246.db2.gz WPAASULJTMENKL-KRWDZBQOSA-N 2 1 373.476 3.254 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000191831425 496903431 /nfs/dbraw/zinc/90/34/31/496903431.db2.gz MPUGYQTZQMSXAM-NRFANRHFSA-N 2 1 359.558 3.130 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000247944553 496930535 /nfs/dbraw/zinc/93/05/35/496930535.db2.gz DKOOSTOFZUYZBG-XMSQKQJNSA-N 2 1 364.537 3.469 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000269491988 496959007 /nfs/dbraw/zinc/95/90/07/496959007.db2.gz OHWJJVHOLJORSB-UHFFFAOYSA-N 2 1 371.529 3.265 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000248141977 496961881 /nfs/dbraw/zinc/96/18/81/496961881.db2.gz YRNZPOOZNMKPDG-BDTNDASRSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000248141977 496961885 /nfs/dbraw/zinc/96/18/85/496961885.db2.gz YRNZPOOZNMKPDG-BDTNDASRSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000248141977 496961891 /nfs/dbraw/zinc/96/18/91/496961891.db2.gz YRNZPOOZNMKPDG-BDTNDASRSA-N 2 1 363.505 3.213 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248402563 496997241 /nfs/dbraw/zinc/99/72/41/496997241.db2.gz NIOQFGQOFDNZPC-VAMGGRTRSA-N 2 1 357.542 3.039 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248406396 496999986 /nfs/dbraw/zinc/99/99/86/496999986.db2.gz SICLVNLENVDZGT-OTWHNJEPSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000248406396 496999987 /nfs/dbraw/zinc/99/99/87/496999987.db2.gz SICLVNLENVDZGT-OTWHNJEPSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000248406396 496999990 /nfs/dbraw/zinc/99/99/90/496999990.db2.gz SICLVNLENVDZGT-OTWHNJEPSA-N 2 1 364.578 3.059 20 0 FGADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248420616 497004881 /nfs/dbraw/zinc/00/48/81/497004881.db2.gz XGOGOFZBQIGTSY-BRKWEVRTSA-N 2 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248420616 497004885 /nfs/dbraw/zinc/00/48/85/497004885.db2.gz XGOGOFZBQIGTSY-BRKWEVRTSA-N 3 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248420616 497004886 /nfs/dbraw/zinc/00/48/86/497004886.db2.gz XGOGOFZBQIGTSY-BRKWEVRTSA-N 3 1 352.526 3.328 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185204 497035381 /nfs/dbraw/zinc/03/53/81/497035381.db2.gz DVFZZOMPPPFECP-QAPCUYQASA-N 2 1 357.523 3.060 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185204 497035384 /nfs/dbraw/zinc/03/53/84/497035384.db2.gz DVFZZOMPPPFECP-QAPCUYQASA-N 2 1 357.523 3.060 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000248568021 497042933 /nfs/dbraw/zinc/04/29/33/497042933.db2.gz LJHPQGAYHIVTRX-YCPHGPKFSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000248568021 497042939 /nfs/dbraw/zinc/04/29/39/497042939.db2.gz LJHPQGAYHIVTRX-YCPHGPKFSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248605524 497053981 /nfs/dbraw/zinc/05/39/81/497053981.db2.gz WELCGGRTYVMQNK-BJLQDIEVSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248605524 497053983 /nfs/dbraw/zinc/05/39/83/497053983.db2.gz WELCGGRTYVMQNK-BJLQDIEVSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248605524 497053987 /nfs/dbraw/zinc/05/39/87/497053987.db2.gz WELCGGRTYVMQNK-BJLQDIEVSA-N 2 1 357.542 3.242 20 0 FGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000574917383 505882537 /nfs/dbraw/zinc/88/25/37/505882537.db2.gz UWDUZZVGBIDOET-KGVIQGDOSA-N 2 1 365.521 3.481 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000278334769 497078615 /nfs/dbraw/zinc/07/86/15/497078615.db2.gz ZQGQYHJQLQNQPJ-SFHVURJKSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000278334769 497078616 /nfs/dbraw/zinc/07/86/16/497078616.db2.gz ZQGQYHJQLQNQPJ-SFHVURJKSA-N 2 1 374.529 3.063 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNCc2cc(Br)cc3c2OCC3)C1 ZINC000228474746 497094466 /nfs/dbraw/zinc/09/44/66/497094466.db2.gz RVWOKMHMKHUSGP-CYBMUJFWSA-N 2 1 353.304 3.204 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000228474746 497094469 /nfs/dbraw/zinc/09/44/69/497094469.db2.gz RVWOKMHMKHUSGP-CYBMUJFWSA-N 2 1 353.304 3.204 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000228474746 497094475 /nfs/dbraw/zinc/09/44/75/497094475.db2.gz RVWOKMHMKHUSGP-CYBMUJFWSA-N 2 1 353.304 3.204 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248795614 497106107 /nfs/dbraw/zinc/10/61/07/497106107.db2.gz YTTQYTTYBLZRCV-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248795614 497106109 /nfs/dbraw/zinc/10/61/09/497106109.db2.gz YTTQYTTYBLZRCV-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248795614 497106111 /nfs/dbraw/zinc/10/61/11/497106111.db2.gz YTTQYTTYBLZRCV-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](C)CCC[NH2+]Cc1cc(Br)cc(Br)c1 ZINC000234217623 497112096 /nfs/dbraw/zinc/11/20/96/497112096.db2.gz WLNFIIOEVBDIJZ-UHFFFAOYSA-N 2 1 350.098 3.253 20 0 FGADMP CCC1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000236663280 497128454 /nfs/dbraw/zinc/12/84/54/497128454.db2.gz WQYXRXZUODYMGH-SGDIKTSBSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502239 497135914 /nfs/dbraw/zinc/13/59/14/497135914.db2.gz LRLGRLOHZVFDGW-MOPGFXCFSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502239 497135918 /nfs/dbraw/zinc/13/59/18/497135918.db2.gz LRLGRLOHZVFDGW-MOPGFXCFSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502239 497135920 /nfs/dbraw/zinc/13/59/20/497135920.db2.gz LRLGRLOHZVFDGW-MOPGFXCFSA-N 2 1 356.514 3.083 20 0 FGADMP CC1(C)CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000236750182 497141467 /nfs/dbraw/zinc/14/14/67/497141467.db2.gz AQRGQOCSCHHHQY-IHWFROFDSA-N 2 1 355.526 3.030 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278539109 497147941 /nfs/dbraw/zinc/14/79/41/497147941.db2.gz UULSCCHELWNWGY-QFBILLFUSA-N 2 1 364.497 3.234 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236828908 497152946 /nfs/dbraw/zinc/15/29/46/497152946.db2.gz JFGLJXHCSQJGGP-MSOLQXFVSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236828908 497152950 /nfs/dbraw/zinc/15/29/50/497152950.db2.gz JFGLJXHCSQJGGP-MSOLQXFVSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@H](C)O1 ZINC000249044953 497153189 /nfs/dbraw/zinc/15/31/89/497153189.db2.gz VSGAQPBJBAJZIP-ZDOXGEDHSA-N 2 1 371.569 3.271 20 0 FGADMP COc1cccc([C@H]2[C@@H](NC(=O)Nc3ccnc(C)c3)CC[N@H+]2C2CC2)c1 ZINC000249065470 497158307 /nfs/dbraw/zinc/15/83/07/497158307.db2.gz QDUFQSQUJVXTGP-PMACEKPBSA-N 2 1 366.465 3.498 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675570 497158732 /nfs/dbraw/zinc/15/87/32/497158732.db2.gz ZELVDOOGBPDTOJ-LPHOPBHVSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675570 497158735 /nfs/dbraw/zinc/15/87/35/497158735.db2.gz ZELVDOOGBPDTOJ-LPHOPBHVSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675570 497158736 /nfs/dbraw/zinc/15/87/36/497158736.db2.gz ZELVDOOGBPDTOJ-LPHOPBHVSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675570 497158739 /nfs/dbraw/zinc/15/87/39/497158739.db2.gz ZELVDOOGBPDTOJ-LPHOPBHVSA-N 2 1 370.497 3.297 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236895653 497165358 /nfs/dbraw/zinc/16/53/58/497165358.db2.gz IBZVANBDCUZPTL-CTNGQTDRSA-N 2 1 351.494 3.057 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000270630109 497166266 /nfs/dbraw/zinc/16/62/66/497166266.db2.gz LMCPZNNSVHLUAF-UHFFFAOYSA-N 2 1 359.449 3.007 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887391 497191984 /nfs/dbraw/zinc/19/19/84/497191984.db2.gz ITEXHGAKQHNKQE-FBBABVLZSA-N 2 1 354.494 3.229 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(CSC(F)F)o2)ccn1 ZINC000270739849 497192811 /nfs/dbraw/zinc/19/28/11/497192811.db2.gz UQOSHDQPMOJJIB-UHFFFAOYSA-N 2 1 371.453 3.361 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237348569 497224108 /nfs/dbraw/zinc/22/41/08/497224108.db2.gz WEQYLQUZFQLZBQ-UTKZUKDTSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@H](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237456086 497240425 /nfs/dbraw/zinc/24/04/25/497240425.db2.gz XAIRAYXSWWRYGA-WIYYLYMNSA-N 2 1 353.510 3.493 20 0 FGADMP CC(C)(C)C(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192932966 497250660 /nfs/dbraw/zinc/25/06/60/497250660.db2.gz ZRUXUNMVOKRYIA-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP c1cn2c(n1)CC[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010210 497302841 /nfs/dbraw/zinc/30/28/41/497302841.db2.gz SUTQMPGNAUMPSO-BURNTYAHSA-N 2 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010210 497302847 /nfs/dbraw/zinc/30/28/47/497302847.db2.gz SUTQMPGNAUMPSO-BURNTYAHSA-N 3 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010210 497302849 /nfs/dbraw/zinc/30/28/49/497302849.db2.gz SUTQMPGNAUMPSO-BURNTYAHSA-N 3 1 350.510 3.231 20 0 FGADMP [NH3+][C@@H](CC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccccc1 ZINC000237881462 497307052 /nfs/dbraw/zinc/30/70/52/497307052.db2.gz ZHBDPKJHSXSBAL-FQEVSTJZSA-N 2 1 373.447 3.136 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000252656387 497315939 /nfs/dbraw/zinc/31/59/39/497315939.db2.gz CZQCLSDQSFMAQF-ULQDDVLXSA-N 2 1 372.488 3.080 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1)c1ccc(F)cc1 ZINC000252656387 497315943 /nfs/dbraw/zinc/31/59/43/497315943.db2.gz CZQCLSDQSFMAQF-ULQDDVLXSA-N 2 1 372.488 3.080 20 0 FGADMP [NH3+][C@@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000237957833 497320185 /nfs/dbraw/zinc/32/01/85/497320185.db2.gz LWXIAWYXJGZRQW-UONOGXRCSA-N 2 1 370.324 3.201 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000271424752 497344901 /nfs/dbraw/zinc/34/49/01/497344901.db2.gz PHULXYAEECYWIQ-UHFFFAOYSA-N 2 1 369.513 3.288 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC000266606344 497381140 /nfs/dbraw/zinc/38/11/40/497381140.db2.gz OWGQYADCGGGQPR-UHFFFAOYSA-N 2 1 371.529 3.313 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000245424958 497398465 /nfs/dbraw/zinc/39/84/65/497398465.db2.gz SQUPBNDXJDYLNM-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](C(=O)Nc1cccc2ncccc21)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245443333 497409898 /nfs/dbraw/zinc/40/98/98/497409898.db2.gz IRSNYNKAEYNOOJ-DLBZAZTESA-N 2 1 354.498 3.368 20 0 FGADMP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266897035 497441360 /nfs/dbraw/zinc/44/13/60/497441360.db2.gz FMXCSTOWBHGBCV-IAGOWNOFSA-N 2 1 367.497 3.217 20 0 FGADMP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266897035 497441361 /nfs/dbraw/zinc/44/13/61/497441361.db2.gz FMXCSTOWBHGBCV-IAGOWNOFSA-N 2 1 367.497 3.217 20 0 FGADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCc1cccnc1 ZINC000271773432 497445470 /nfs/dbraw/zinc/44/54/70/497445470.db2.gz CDAOPOBORGPWRF-UHFFFAOYSA-N 2 1 353.466 3.021 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765770 497447276 /nfs/dbraw/zinc/44/72/76/497447276.db2.gz GFGYVOHUDXHGOV-ZIAGYGMSSA-N 2 1 368.319 3.098 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828897 497458138 /nfs/dbraw/zinc/45/81/38/497458138.db2.gz YQJRGNOOFMODSS-OAQYLSRUSA-N 2 1 353.466 3.478 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271842347 497467494 /nfs/dbraw/zinc/46/74/94/497467494.db2.gz GXWFFPHPXUEADM-CYBMUJFWSA-N 2 1 366.303 3.018 20 0 FGADMP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)oc21 ZINC000271854466 497470953 /nfs/dbraw/zinc/47/09/53/497470953.db2.gz JDMRCZXUGYOJRG-JCGIZDLHSA-N 2 1 358.482 3.470 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000245629449 497480595 /nfs/dbraw/zinc/48/05/95/497480595.db2.gz HHMWMWOJWOWXPL-SFTDATJTSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@]1(C[N@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080890 497505100 /nfs/dbraw/zinc/50/51/00/497505100.db2.gz TTZSGCKVBILMTH-IAGOWNOFSA-N 2 1 352.320 3.325 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193872894 497508512 /nfs/dbraw/zinc/50/85/12/497508512.db2.gz IHYOFTBBCKBEJB-GOSISDBHSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C[C@H]1n1ccnc1 ZINC000245706986 497510881 /nfs/dbraw/zinc/51/08/81/497510881.db2.gz SFCNCYKKBPSQIB-MBOZVWFJSA-N 2 1 352.482 3.134 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H](C)c3ccccc3)CC2)CC1 ZINC000193889659 497512599 /nfs/dbraw/zinc/51/25/99/497512599.db2.gz WISUFEWHZOPQAW-FQEVSTJZSA-N 2 1 371.569 3.446 20 0 FGADMP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000276185479 497515258 /nfs/dbraw/zinc/51/52/58/497515258.db2.gz HIPMJSKCDLZJFW-GOSISDBHSA-N 2 1 374.435 3.059 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000262169440 497519236 /nfs/dbraw/zinc/51/92/36/497519236.db2.gz QGILKMIGPBSXKH-XMSQKQJNSA-N 2 1 365.521 3.105 20 0 FGADMP CC1(C)CC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000193923257 497520850 /nfs/dbraw/zinc/52/08/50/497520850.db2.gz LDFNDWMIYKZIIW-GOSISDBHSA-N 2 1 372.557 3.117 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000262202390 497523790 /nfs/dbraw/zinc/52/37/90/497523790.db2.gz WEQYLQUZFQLZBQ-LAUBAEHRSA-N 2 1 351.494 3.377 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262234675 497527414 /nfs/dbraw/zinc/52/74/14/497527414.db2.gz HFHSVMFECXHLQW-AGXSTUJCSA-N 2 1 357.542 3.297 20 0 FGADMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277939 497533310 /nfs/dbraw/zinc/53/33/10/497533310.db2.gz KDRXWUVVQJBRPN-ZBFHGGJFSA-N 2 1 354.420 3.027 20 0 FGADMP OC1CC[NH+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193990775 497542253 /nfs/dbraw/zinc/54/22/53/497542253.db2.gz KUCIWMZDVWZYJE-UHFFFAOYSA-N 2 1 367.331 3.132 20 0 FGADMP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000245919532 497571223 /nfs/dbraw/zinc/57/12/23/497571223.db2.gz WQVSTJMVJXQRJO-GPHNJDIKSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000272232141 497572658 /nfs/dbraw/zinc/57/26/58/497572658.db2.gz URPGBWVNWFIPSJ-OXQOHEQNSA-N 2 1 363.509 3.277 20 0 FGADMP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272243539 497574444 /nfs/dbraw/zinc/57/44/44/497574444.db2.gz HAVOOSKRZRCXMG-FUHWJXTLSA-N 2 1 371.550 3.450 20 0 FGADMP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272243541 497574624 /nfs/dbraw/zinc/57/46/24/497574624.db2.gz HAVOOSKRZRCXMG-SJLPKXTDSA-N 2 1 371.550 3.450 20 0 FGADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@H]2CCCOC2)c1)C[C@@H]1CCCOC1 ZINC000245929565 497574998 /nfs/dbraw/zinc/57/49/98/497574998.db2.gz PLUHKUWFODIWDR-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)C[C@@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000245929565 497575002 /nfs/dbraw/zinc/57/50/02/497575002.db2.gz PLUHKUWFODIWDR-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000245929565 497575007 /nfs/dbraw/zinc/57/50/07/497575007.db2.gz PLUHKUWFODIWDR-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272265299 497580824 /nfs/dbraw/zinc/58/08/24/497580824.db2.gz NBXLRXBIJGWRGO-ICSRJNTNSA-N 2 1 372.557 3.069 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000262670713 497595184 /nfs/dbraw/zinc/59/51/84/497595184.db2.gz RKPUTHRXXICXGV-YYWHXJBOSA-N 2 1 351.494 3.164 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000262670710 497595600 /nfs/dbraw/zinc/59/56/00/497595600.db2.gz RKPUTHRXXICXGV-UIFIKXQLSA-N 2 1 351.494 3.164 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194184774 497596808 /nfs/dbraw/zinc/59/68/08/497596808.db2.gz YTTQYTTYBLZRCV-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194184774 497596812 /nfs/dbraw/zinc/59/68/12/497596812.db2.gz YTTQYTTYBLZRCV-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194184774 497596816 /nfs/dbraw/zinc/59/68/16/497596816.db2.gz YTTQYTTYBLZRCV-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262674397 497597322 /nfs/dbraw/zinc/59/73/22/497597322.db2.gz TTWCDKHHJYCGTR-NYVOZVTQSA-N 2 1 365.521 3.446 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262676511 497597601 /nfs/dbraw/zinc/59/76/01/497597601.db2.gz SOVBVZNYXKSMGC-LVUFRCMMSA-N 2 1 369.553 3.419 20 0 FGADMP C[C@H](C(=O)NCC(F)(F)F)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000246030546 497600307 /nfs/dbraw/zinc/60/03/07/497600307.db2.gz NOIBBHNIMBJWPQ-LSDHHAIUSA-N 2 1 363.468 3.030 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000581138201 505918553 /nfs/dbraw/zinc/91/85/53/505918553.db2.gz KITOXGAPAJZFHZ-ZWOKBUDYSA-N 2 1 368.949 3.143 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246132478 497632443 /nfs/dbraw/zinc/63/24/43/497632443.db2.gz BBGRFBMUOVIIMV-LVCYWYKZSA-N 2 1 372.557 3.194 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467423 497637061 /nfs/dbraw/zinc/63/70/61/497637061.db2.gz ZUVIUEGWZWIPTE-BURNTYAHSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467423 497637065 /nfs/dbraw/zinc/63/70/65/497637065.db2.gz ZUVIUEGWZWIPTE-BURNTYAHSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467423 497637069 /nfs/dbraw/zinc/63/70/69/497637069.db2.gz ZUVIUEGWZWIPTE-BURNTYAHSA-N 2 1 359.583 3.209 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272532337 497654246 /nfs/dbraw/zinc/65/42/46/497654246.db2.gz OXZDRZCCSABTGM-QUCCMNQESA-N 2 1 372.557 3.069 20 0 FGADMP CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262959822 497666627 /nfs/dbraw/zinc/66/66/27/497666627.db2.gz KOVGWZHAKUJVAP-WIYYLYMNSA-N 2 1 357.542 3.450 20 0 FGADMP C[NH+](C)CCCOc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000268127091 497683183 /nfs/dbraw/zinc/68/31/83/497683183.db2.gz OOBTUHADLQIQPG-UHFFFAOYSA-N 2 1 361.511 3.393 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000246367160 497709994 /nfs/dbraw/zinc/70/99/94/497709994.db2.gz LHLYEDDGIPZLGW-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000246367160 497709998 /nfs/dbraw/zinc/70/99/98/497709998.db2.gz LHLYEDDGIPZLGW-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000246367160 497710002 /nfs/dbraw/zinc/71/00/02/497710002.db2.gz LHLYEDDGIPZLGW-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cc2)C1 ZINC000263122447 497710462 /nfs/dbraw/zinc/71/04/62/497710462.db2.gz BAWCILLNFXKSPI-BSIFCXSSSA-N 2 1 359.514 3.253 20 0 FGADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000575125256 505926270 /nfs/dbraw/zinc/92/62/70/505926270.db2.gz KJNZFQKDLJJFNC-SFHVURJKSA-N 2 1 374.529 3.207 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000575125256 505926274 /nfs/dbraw/zinc/92/62/74/505926274.db2.gz KJNZFQKDLJJFNC-SFHVURJKSA-N 2 1 374.529 3.207 20 0 FGADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000575125255 505926445 /nfs/dbraw/zinc/92/64/45/505926445.db2.gz KJNZFQKDLJJFNC-GOSISDBHSA-N 2 1 374.529 3.207 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000575125255 505926446 /nfs/dbraw/zinc/92/64/46/505926446.db2.gz KJNZFQKDLJJFNC-GOSISDBHSA-N 2 1 374.529 3.207 20 0 FGADMP C[C@@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734644 497754254 /nfs/dbraw/zinc/75/42/54/497754254.db2.gz YSARIFWNUTUMEN-SFHVURJKSA-N 2 1 355.526 3.162 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533958 497767163 /nfs/dbraw/zinc/76/71/63/497767163.db2.gz XWQOPLREEPZNLB-DFQSSKMNSA-N 2 1 360.546 3.194 20 0 FGADMP COc1cc(-c2nc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)cs2)ccc1O ZINC000246752328 497807946 /nfs/dbraw/zinc/80/79/46/497807946.db2.gz HHANRZRVIIBMNZ-NVXWUHKLSA-N 2 1 373.522 3.440 20 0 FGADMP NC(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246774153 497809884 /nfs/dbraw/zinc/80/98/84/497809884.db2.gz IEQBPRDSGZEZSJ-BDTNDASRSA-N 2 1 363.505 3.200 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846234 497815905 /nfs/dbraw/zinc/81/59/05/497815905.db2.gz BVWMKNFTBAUHQP-WVDLQDBSSA-N 2 1 351.535 3.235 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)cc1F ZINC000364205553 497839986 /nfs/dbraw/zinc/83/99/86/497839986.db2.gz GMXAWNSPCKNQKE-ZIAGYGMSSA-N 2 1 361.465 3.020 20 0 FGADMP CC(C)CCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364214087 497842847 /nfs/dbraw/zinc/84/28/47/497842847.db2.gz OMRJAPMURLVHLF-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)c2cccs2)CC1 ZINC000572301242 505937245 /nfs/dbraw/zinc/93/72/45/505937245.db2.gz OUAGAEYYDVXUTG-WOJBJXKFSA-N 2 1 371.550 3.409 20 0 FGADMP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1C ZINC000364249541 497861289 /nfs/dbraw/zinc/86/12/89/497861289.db2.gz GXVWMNFUQFISMQ-APWZRJJASA-N 2 1 354.502 3.056 20 0 FGADMP CC(C)O[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@@H](OC(C)C)C3)c2)C1 ZINC000569481709 505945442 /nfs/dbraw/zinc/94/54/42/505945442.db2.gz OLWJVYCVZGFBBA-NHCUHLMSSA-N 2 1 361.530 3.080 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169409 497908251 /nfs/dbraw/zinc/90/82/51/497908251.db2.gz PLIHPINDGMWOML-KRWDZBQOSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169409 497908261 /nfs/dbraw/zinc/90/82/61/497908261.db2.gz PLIHPINDGMWOML-KRWDZBQOSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169409 497908270 /nfs/dbraw/zinc/90/82/70/497908270.db2.gz PLIHPINDGMWOML-KRWDZBQOSA-N 2 1 355.404 3.062 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000296078211 497913626 /nfs/dbraw/zinc/91/36/26/497913626.db2.gz SLICKGRLZPGGBX-TZIWHRDSSA-N 2 1 367.541 3.077 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000572350343 505947735 /nfs/dbraw/zinc/94/77/35/505947735.db2.gz DKNMXYFJIZZMBO-TZIWHRDSSA-N 2 1 352.526 3.484 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000572350343 505947737 /nfs/dbraw/zinc/94/77/37/505947737.db2.gz DKNMXYFJIZZMBO-TZIWHRDSSA-N 2 1 352.526 3.484 20 0 FGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CS1 ZINC000575235346 505948307 /nfs/dbraw/zinc/94/83/07/505948307.db2.gz PEUJPMRAGGXPNQ-RYRKJORJSA-N 2 1 353.601 3.156 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000569493486 505948367 /nfs/dbraw/zinc/94/83/67/505948367.db2.gz SFHKCDOVAYEBFA-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000569493486 505948370 /nfs/dbraw/zinc/94/83/70/505948370.db2.gz SFHKCDOVAYEBFA-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000569493486 505948371 /nfs/dbraw/zinc/94/83/71/505948371.db2.gz SFHKCDOVAYEBFA-RTBURBONSA-N 2 1 360.546 3.021 20 0 FGADMP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000281001671 497982164 /nfs/dbraw/zinc/98/21/64/497982164.db2.gz MPECHPJGXMDOCW-QFIPXVFZSA-N 2 1 352.478 3.392 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)C2 ZINC000364566158 498026810 /nfs/dbraw/zinc/02/68/10/498026810.db2.gz WOXKXYKVSMKUEC-QGZVFWFLSA-N 2 1 354.498 3.016 20 0 FGADMP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301283241 498036875 /nfs/dbraw/zinc/03/68/75/498036875.db2.gz LNVWZPMOSFZOCF-MRXNPFEDSA-N 2 1 365.456 3.392 20 0 FGADMP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586970 498037272 /nfs/dbraw/zinc/03/72/72/498037272.db2.gz ZCPXJUJXXPQRFY-VBRDFVIOSA-N 2 1 374.569 3.095 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCc1ccccc1 ZINC000581369469 505973145 /nfs/dbraw/zinc/97/31/45/505973145.db2.gz BZOLSQOJTJRVIE-PMACEKPBSA-N 2 1 352.478 3.316 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCc1ccccc1 ZINC000581369469 505973148 /nfs/dbraw/zinc/97/31/48/505973148.db2.gz BZOLSQOJTJRVIE-PMACEKPBSA-N 2 1 352.478 3.316 20 0 FGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000281273924 498084483 /nfs/dbraw/zinc/08/44/83/498084483.db2.gz PLNHOSZCQQBMDV-OAQYLSRUSA-N 2 1 370.468 3.444 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296597312 498114704 /nfs/dbraw/zinc/11/47/04/498114704.db2.gz YEYJRVSVLLUNHV-OAQYLSRUSA-N 2 1 357.542 3.015 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285560848 498129467 /nfs/dbraw/zinc/12/94/67/498129467.db2.gz RPCLRDHTXZOZQL-WFFDWFOESA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285560848 498129473 /nfs/dbraw/zinc/12/94/73/498129473.db2.gz RPCLRDHTXZOZQL-WFFDWFOESA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285560848 498129477 /nfs/dbraw/zinc/12/94/77/498129477.db2.gz RPCLRDHTXZOZQL-WFFDWFOESA-N 2 1 356.432 3.166 20 0 FGADMP Cc1ccc2ncc(CN[C@](C)(CO)c3ccc(Br)cc3)n2c1 ZINC000285644322 498157965 /nfs/dbraw/zinc/15/79/65/498157965.db2.gz XXDBLFRJAUEKDM-GOSISDBHSA-N 2 1 374.282 3.403 20 0 FGADMP CC[NH+](Cc1cncc(C[N@@H+](CC)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000569674120 505990299 /nfs/dbraw/zinc/99/02/99/505990299.db2.gz WAYAWBUNOIUXRB-NHCUHLMSSA-N 2 1 361.530 3.083 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532551 505991025 /nfs/dbraw/zinc/99/10/25/505991025.db2.gz UCOVTUZURLPQQY-SQNIBIBYSA-N 2 1 371.525 3.302 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532551 505991027 /nfs/dbraw/zinc/99/10/27/505991027.db2.gz UCOVTUZURLPQQY-SQNIBIBYSA-N 2 1 371.525 3.302 20 0 FGADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@H]2CCn3ccnc32)c1 ZINC000296763296 498186169 /nfs/dbraw/zinc/18/61/69/498186169.db2.gz KEIIKVYBJXIIMO-YOEHRIQHSA-N 2 1 371.460 3.392 20 0 FGADMP C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@H]2CCn3ccnc32)c1 ZINC000296763296 498186173 /nfs/dbraw/zinc/18/61/73/498186173.db2.gz KEIIKVYBJXIIMO-YOEHRIQHSA-N 2 1 371.460 3.392 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950716 498208572 /nfs/dbraw/zinc/20/85/72/498208572.db2.gz KPRYCIAWUBAILO-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950716 498208579 /nfs/dbraw/zinc/20/85/79/498208579.db2.gz KPRYCIAWUBAILO-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950716 498208584 /nfs/dbraw/zinc/20/85/84/498208584.db2.gz KPRYCIAWUBAILO-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Br)CC1(C)C ZINC000572562973 505997963 /nfs/dbraw/zinc/99/79/63/505997963.db2.gz JYIIMBLWEURGPN-QGZVFWFLSA-N 2 1 366.347 3.052 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000572566005 505998646 /nfs/dbraw/zinc/99/86/46/505998646.db2.gz VOFDABLFBVUQJN-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000572566005 505998648 /nfs/dbraw/zinc/99/86/48/505998648.db2.gz VOFDABLFBVUQJN-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000572566005 505998651 /nfs/dbraw/zinc/99/86/51/505998651.db2.gz VOFDABLFBVUQJN-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000572566005 505998653 /nfs/dbraw/zinc/99/86/53/505998653.db2.gz VOFDABLFBVUQJN-FGZHOGPDSA-N 2 1 364.489 3.427 20 0 FGADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000285856900 498220463 /nfs/dbraw/zinc/22/04/63/498220463.db2.gz IHVHMDNYSNVPPS-UHFFFAOYSA-N 2 1 370.493 3.467 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000572590824 506005719 /nfs/dbraw/zinc/00/57/19/506005719.db2.gz OTOHJRXWMIRKFL-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000572590824 506005722 /nfs/dbraw/zinc/00/57/22/506005722.db2.gz OTOHJRXWMIRKFL-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569720729 506000727 /nfs/dbraw/zinc/00/07/27/506000727.db2.gz ROJPUFHVKJCKOQ-UNMCSNQZSA-N 2 1 369.553 3.409 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289791380 498294956 /nfs/dbraw/zinc/29/49/56/498294956.db2.gz NFBNFYVZZZUUGH-GUDVDZBRSA-N 2 1 356.539 3.279 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000360871161 498317420 /nfs/dbraw/zinc/31/74/20/498317420.db2.gz KTSSBQWHEWWVSC-PVIWCNJMSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000360871161 498317426 /nfs/dbraw/zinc/31/74/26/498317426.db2.gz KTSSBQWHEWWVSC-PVIWCNJMSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000360871161 498317429 /nfs/dbraw/zinc/31/74/29/498317429.db2.gz KTSSBQWHEWWVSC-PVIWCNJMSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000360871161 498317434 /nfs/dbraw/zinc/31/74/34/498317434.db2.gz KTSSBQWHEWWVSC-PVIWCNJMSA-N 2 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000360871161 498317436 /nfs/dbraw/zinc/31/74/36/498317436.db2.gz KTSSBQWHEWWVSC-PVIWCNJMSA-N 2 1 365.606 3.224 20 0 FGADMP COc1cc(CNCCC[N@@H+](C)C(C)C)cc(OC)c1OCC(F)F ZINC000289861521 498327938 /nfs/dbraw/zinc/32/79/38/498327938.db2.gz VZHAUEWZNGIRBE-UHFFFAOYSA-N 2 1 360.445 3.168 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(OC)c1OCC(F)F ZINC000289861521 498327945 /nfs/dbraw/zinc/32/79/45/498327945.db2.gz VZHAUEWZNGIRBE-UHFFFAOYSA-N 2 1 360.445 3.168 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(OC)c1OCC(F)F ZINC000289861521 498327948 /nfs/dbraw/zinc/32/79/48/498327948.db2.gz VZHAUEWZNGIRBE-UHFFFAOYSA-N 2 1 360.445 3.168 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007370 498354519 /nfs/dbraw/zinc/35/45/19/498354519.db2.gz VRYQNRRKISXXSS-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1nccn1CCC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000361187852 498358035 /nfs/dbraw/zinc/35/80/35/498358035.db2.gz BJJAVZBLODZCCT-HKUYNNGSSA-N 2 1 358.461 3.097 20 0 FGADMP Cn1cc([C@H]2[C@@H](CNCc3coc(-c4ccccc4)n3)CCC[N@H+]2C)cn1 ZINC000361354796 498378211 /nfs/dbraw/zinc/37/82/11/498378211.db2.gz VOMGLWASHWADEJ-YLJYHZDGSA-N 2 1 365.481 3.248 20 0 FGADMP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3coc(-c4ccccc4)n3)CCCN2C)cn1 ZINC000361354796 498378217 /nfs/dbraw/zinc/37/82/17/498378217.db2.gz VOMGLWASHWADEJ-YLJYHZDGSA-N 2 1 365.481 3.248 20 0 FGADMP Cn1cc([C@@H]2[C@H](CNCc3coc(-c4ccccc4)n3)CCC[N@H+]2C)cn1 ZINC000361354794 498378520 /nfs/dbraw/zinc/37/85/20/498378520.db2.gz VOMGLWASHWADEJ-PXNSSMCTSA-N 2 1 365.481 3.248 20 0 FGADMP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3coc(-c4ccccc4)n3)CCCN2C)cn1 ZINC000361354794 498378525 /nfs/dbraw/zinc/37/85/25/498378525.db2.gz VOMGLWASHWADEJ-PXNSSMCTSA-N 2 1 365.481 3.248 20 0 FGADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2c(C)c(C)[nH+]c3ccccc32)CC1 ZINC000302084263 498400115 /nfs/dbraw/zinc/40/01/15/498400115.db2.gz MTQYVVCPWLBWNW-UHFFFAOYSA-N 2 1 368.525 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000361730807 498423713 /nfs/dbraw/zinc/42/37/13/498423713.db2.gz ZFNAUFODZREQME-KUHUBIRLSA-N 2 1 366.440 3.067 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000581640843 506033983 /nfs/dbraw/zinc/03/39/83/506033983.db2.gz UEGHZFIUCVFVRT-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000581640843 506033985 /nfs/dbraw/zinc/03/39/85/506033985.db2.gz UEGHZFIUCVFVRT-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000581640843 506033988 /nfs/dbraw/zinc/03/39/88/506033988.db2.gz UEGHZFIUCVFVRT-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000572745018 506042727 /nfs/dbraw/zinc/04/27/27/506042727.db2.gz AVTGPMDERFTSNS-UHFFFAOYSA-N 2 1 371.378 3.470 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1OC(F)F ZINC000282407087 498499103 /nfs/dbraw/zinc/49/91/03/498499103.db2.gz RZYBYHPBZGRLBH-ZDUSSCGKSA-N 2 1 359.436 3.104 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890947 506045802 /nfs/dbraw/zinc/04/58/02/506045802.db2.gz BWDKPFXJJFTMAO-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890947 506045807 /nfs/dbraw/zinc/04/58/07/506045807.db2.gz BWDKPFXJJFTMAO-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981219 506048353 /nfs/dbraw/zinc/04/83/53/506048353.db2.gz BVKYCKIFHGYPNQ-HOTGVXAUSA-N 2 1 374.447 3.155 20 0 FGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999460 498597126 /nfs/dbraw/zinc/59/71/26/498597126.db2.gz FKJORHXWGNQVFG-PMACEKPBSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999460 498597136 /nfs/dbraw/zinc/59/71/36/498597136.db2.gz FKJORHXWGNQVFG-PMACEKPBSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999460 498597143 /nfs/dbraw/zinc/59/71/43/498597143.db2.gz FKJORHXWGNQVFG-PMACEKPBSA-N 2 1 367.493 3.386 20 0 FGADMP C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365795879 498644644 /nfs/dbraw/zinc/64/46/44/498644644.db2.gz OHXSSEZMMJJBSS-OXQOHEQNSA-N 2 1 367.940 3.370 20 0 FGADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365795879 498644651 /nfs/dbraw/zinc/64/46/51/498644651.db2.gz OHXSSEZMMJJBSS-OXQOHEQNSA-N 2 1 367.940 3.370 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303462663 498679237 /nfs/dbraw/zinc/67/92/37/498679237.db2.gz LVIDNEIKQBCBCA-VQTJNVASSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H]1CCC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365911698 498696241 /nfs/dbraw/zinc/69/62/41/498696241.db2.gz LEZRCXFBKBDFCF-ICSRJNTNSA-N 2 1 363.590 3.467 20 0 FGADMP COCc1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)no1 ZINC000298245272 498708959 /nfs/dbraw/zinc/70/89/59/498708959.db2.gz CVSNIPWXZMILOE-UHFFFAOYSA-N 2 1 358.486 3.211 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000570051487 506079271 /nfs/dbraw/zinc/07/92/71/506079271.db2.gz ZAWVNCMXGGHEPX-UHFFFAOYSA-N 2 1 369.303 3.171 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000283021541 498747797 /nfs/dbraw/zinc/74/77/97/498747797.db2.gz GWSKLPZZXGRRSH-CTNGQTDRSA-N 2 1 355.526 3.099 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424415 498752005 /nfs/dbraw/zinc/75/20/05/498752005.db2.gz FQZZBEBSUQEYHA-MOPGFXCFSA-N 2 1 374.912 3.191 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312938480 498764411 /nfs/dbraw/zinc/76/44/11/498764411.db2.gz PCVPIXSGTWLFJP-OAQYLSRUSA-N 2 1 365.521 3.438 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098756 506090513 /nfs/dbraw/zinc/09/05/13/506090513.db2.gz WKHHPVAJVQXRTB-FUHWJXTLSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098756 506090516 /nfs/dbraw/zinc/09/05/16/506090516.db2.gz WKHHPVAJVQXRTB-FUHWJXTLSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098756 506090520 /nfs/dbraw/zinc/09/05/20/506090520.db2.gz WKHHPVAJVQXRTB-FUHWJXTLSA-N 2 1 363.571 3.211 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167750 498803807 /nfs/dbraw/zinc/80/38/07/498803807.db2.gz PIDKRZBWGPDQRU-UZKOGDIHSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000283167750 498803813 /nfs/dbraw/zinc/80/38/13/498803813.db2.gz PIDKRZBWGPDQRU-UZKOGDIHSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000283167750 498803820 /nfs/dbraw/zinc/80/38/20/498803820.db2.gz PIDKRZBWGPDQRU-UZKOGDIHSA-N 2 1 367.537 3.097 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000581934561 506093953 /nfs/dbraw/zinc/09/39/53/506093953.db2.gz YFEQWKLPYWFEJX-INIZCTEOSA-N 2 1 365.905 3.060 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298606830 498827433 /nfs/dbraw/zinc/82/74/33/498827433.db2.gz ZQZTZNNQNIRWDG-OAQYLSRUSA-N 3 1 364.537 3.205 20 0 FGADMP COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000581971263 506102281 /nfs/dbraw/zinc/10/22/81/506102281.db2.gz OOJXTJMCAFDIEL-OAHLLOKOSA-N 2 1 354.441 3.460 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629921 498880546 /nfs/dbraw/zinc/88/05/46/498880546.db2.gz ITYYAZABHDWTSL-IITNATTFSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629921 498880553 /nfs/dbraw/zinc/88/05/53/498880553.db2.gz ITYYAZABHDWTSL-IITNATTFSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629921 498880562 /nfs/dbraw/zinc/88/05/62/498880562.db2.gz ITYYAZABHDWTSL-IITNATTFSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328629921 498880566 /nfs/dbraw/zinc/88/05/66/498880566.db2.gz ITYYAZABHDWTSL-IITNATTFSA-N 2 1 364.537 3.185 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581944287 506096000 /nfs/dbraw/zinc/09/60/00/506096000.db2.gz BEMYCGZYFIXXSF-QHAWAJNXSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000333162300 498919444 /nfs/dbraw/zinc/91/94/44/498919444.db2.gz GQGGVHTYCHFYMM-ZMWHVPEISA-N 2 1 370.541 3.093 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000576253431 506114314 /nfs/dbraw/zinc/11/43/14/506114314.db2.gz GKBRBYHFSMPKNN-LQWHRVPQSA-N 2 1 372.557 3.248 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H](O)CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000295203040 498942115 /nfs/dbraw/zinc/94/21/15/498942115.db2.gz KKMUDWPCRFVXHZ-HXUWFJFHSA-N 2 1 359.558 3.200 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299029930 498946171 /nfs/dbraw/zinc/94/61/71/498946171.db2.gz RLFISDUWPHAVNL-SJLPKXTDSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000299029930 498946175 /nfs/dbraw/zinc/94/61/75/498946175.db2.gz RLFISDUWPHAVNL-SJLPKXTDSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485379 498947694 /nfs/dbraw/zinc/94/76/94/498947694.db2.gz VQWVOOYUAJMZCW-DYVFJYSZSA-N 2 1 355.404 3.060 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000295233543 498950829 /nfs/dbraw/zinc/95/08/29/498950829.db2.gz DDIFBECQFPVCGF-FUHWJXTLSA-N 2 1 357.498 3.104 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000366580852 498988218 /nfs/dbraw/zinc/98/82/18/498988218.db2.gz LWWQKTIFZHYJRE-SJLPKXTDSA-N 2 1 359.518 3.157 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)[C@H](C)c1ccccc1 ZINC000363788814 498993831 /nfs/dbraw/zinc/99/38/31/498993831.db2.gz YCZJUKVZTNXMFM-ZWKOTPCHSA-N 2 1 369.557 3.152 20 0 FGADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000333529424 499024244 /nfs/dbraw/zinc/02/42/44/499024244.db2.gz XVTUIYCAUJVECW-LJQANCHMSA-N 3 1 362.481 3.098 20 0 FGADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000333529424 499024249 /nfs/dbraw/zinc/02/42/49/499024249.db2.gz XVTUIYCAUJVECW-LJQANCHMSA-N 3 1 362.481 3.098 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(C)(C)n1cncn1 ZINC000284033764 499034708 /nfs/dbraw/zinc/03/47/08/499034708.db2.gz JLFVAPGMLAMRSL-QGZVFWFLSA-N 2 1 367.497 3.417 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)c1ccccc1Cl ZINC000570263737 506128039 /nfs/dbraw/zinc/12/80/39/506128039.db2.gz KKOVPADUJLEZHD-IBGZPJMESA-N 2 1 372.900 3.410 20 0 FGADMP C[C@H](NCc1cnnn1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776800 499064324 /nfs/dbraw/zinc/06/43/24/499064324.db2.gz UJMNPEURMHLCIL-HKUYNNGSSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000291776800 499064327 /nfs/dbraw/zinc/06/43/27/499064327.db2.gz UJMNPEURMHLCIL-HKUYNNGSSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776800 499064331 /nfs/dbraw/zinc/06/43/31/499064331.db2.gz UJMNPEURMHLCIL-HKUYNNGSSA-N 2 1 353.514 3.069 20 0 FGADMP CCOc1ccc([C@H](O)C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000291797614 499070952 /nfs/dbraw/zinc/07/09/52/499070952.db2.gz MYVOCZXUEMOJKF-NRFANRHFSA-N 2 1 357.498 3.426 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)NC2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000284328849 499089207 /nfs/dbraw/zinc/08/92/07/499089207.db2.gz KPWIJCRGFZAXIZ-SFHVURJKSA-N 2 1 373.463 3.304 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284358084 499094454 /nfs/dbraw/zinc/09/44/54/499094454.db2.gz NQJYXRYCQVOFKC-VLCRHTCISA-N 2 1 359.558 3.195 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2C1 ZINC000369839399 499136545 /nfs/dbraw/zinc/13/65/45/499136545.db2.gz FBSSABCQFWJRIN-SVMVAKDDSA-N 2 1 357.542 3.438 20 0 FGADMP CC(C)[NH+]1CCC(Nc2ccc(C(=O)N(C)[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000367040394 499138577 /nfs/dbraw/zinc/13/85/77/499138577.db2.gz IZJXIAGGZMCZPC-OAQYLSRUSA-N 2 1 372.557 3.138 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000367117862 499150726 /nfs/dbraw/zinc/15/07/26/499150726.db2.gz UXTQRDSIOMGWHE-QGZVFWFLSA-N 2 1 372.944 3.348 20 0 FGADMP CCOC1CC(C[N@H+]2CCC3(C2)CC[NH+](CC2CC(OCC)C2)CC3)C1 ZINC000367143025 499153752 /nfs/dbraw/zinc/15/37/52/499153752.db2.gz DOBIWTMBIITCRS-UHFFFAOYSA-N 2 1 364.574 3.405 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]CCCc3cnccc3C)cc2)CC1 ZINC000573166646 506133944 /nfs/dbraw/zinc/13/39/44/506133944.db2.gz CQPRPQBUXOHFJS-UHFFFAOYSA-N 2 1 366.553 3.250 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(-c3cnn(C)c3)c2)C[C@H](C)O1 ZINC000372841099 499183003 /nfs/dbraw/zinc/18/30/03/499183003.db2.gz WXPPNJGKVJPYRD-HDICACEKSA-N 2 1 356.514 3.066 20 0 FGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867397 499186708 /nfs/dbraw/zinc/18/67/08/499186708.db2.gz COXFWRLDPMTLJU-QKNQBKEWSA-N 2 1 351.579 3.120 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000370163120 499190438 /nfs/dbraw/zinc/19/04/38/499190438.db2.gz RDRKNGSMPORERC-ICSRJNTNSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370163120 499190440 /nfs/dbraw/zinc/19/04/40/499190440.db2.gz RDRKNGSMPORERC-ICSRJNTNSA-N 2 1 368.525 3.423 20 0 FGADMP c1cnc(Oc2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000367472404 499203288 /nfs/dbraw/zinc/20/32/88/499203288.db2.gz KQAVONBXJAGRFP-YZGWKJHDSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000367472404 499203289 /nfs/dbraw/zinc/20/32/89/499203289.db2.gz KQAVONBXJAGRFP-YZGWKJHDSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000367472404 499203291 /nfs/dbraw/zinc/20/32/91/499203291.db2.gz KQAVONBXJAGRFP-YZGWKJHDSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000367472404 499203293 /nfs/dbraw/zinc/20/32/93/499203293.db2.gz KQAVONBXJAGRFP-YZGWKJHDSA-N 2 1 350.466 3.185 20 0 FGADMP CN(Cc1nc2cc(Br)ccc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367603418 499216406 /nfs/dbraw/zinc/21/64/06/499216406.db2.gz LBOLEYKRHFMYBA-PBWFPOADSA-N 2 1 363.303 3.382 20 0 FGADMP CN(Cc1nc2ccc(Br)cc2[nH]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367603418 499216408 /nfs/dbraw/zinc/21/64/08/499216408.db2.gz LBOLEYKRHFMYBA-PBWFPOADSA-N 2 1 363.303 3.382 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000367620110 499218645 /nfs/dbraw/zinc/21/86/45/499218645.db2.gz PZYIAVMCNLAVFS-QEXNXIHPSA-N 2 1 351.535 3.285 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000367690422 499224963 /nfs/dbraw/zinc/22/49/63/499224963.db2.gz YFKQXPVEXNHUIG-HXUWFJFHSA-N 2 1 374.960 3.397 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000367690422 499224965 /nfs/dbraw/zinc/22/49/65/499224965.db2.gz YFKQXPVEXNHUIG-HXUWFJFHSA-N 2 1 374.960 3.397 20 0 FGADMP O[C@@H]1c2ccccc2C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000370616184 499235908 /nfs/dbraw/zinc/23/59/08/499235908.db2.gz PNXXNGYJXRJLJV-FCHUYYIVSA-N 2 1 354.469 3.081 20 0 FGADMP Cc1ccccc1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884979 499241662 /nfs/dbraw/zinc/24/16/62/499241662.db2.gz JCWOCFBTZPNWHT-UHFFFAOYSA-N 2 1 352.482 3.177 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@@H](C)C1 ZINC000368041489 499258701 /nfs/dbraw/zinc/25/87/01/499258701.db2.gz KKLISWSCVITCPN-ULQDDVLXSA-N 2 1 351.535 3.096 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000370844596 499261219 /nfs/dbraw/zinc/26/12/19/499261219.db2.gz DBUYYOSYXWLBGS-OAQYLSRUSA-N 2 1 371.569 3.383 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)C1 ZINC000368130825 499267390 /nfs/dbraw/zinc/26/73/90/499267390.db2.gz GTFSLCAJXVWTRV-IBGZPJMESA-N 2 1 360.933 3.007 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000368158135 499269966 /nfs/dbraw/zinc/26/99/66/499269966.db2.gz GPZFXKGSMBETEO-INIZCTEOSA-N 2 1 350.576 3.073 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+]1C ZINC000368249526 499278249 /nfs/dbraw/zinc/27/82/49/499278249.db2.gz LYXYONHQONEEAN-TXZRGUEPSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000368249526 499278251 /nfs/dbraw/zinc/27/82/51/499278251.db2.gz LYXYONHQONEEAN-TXZRGUEPSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000368249526 499278252 /nfs/dbraw/zinc/27/82/52/499278252.db2.gz LYXYONHQONEEAN-TXZRGUEPSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371034109 499282153 /nfs/dbraw/zinc/28/21/53/499282153.db2.gz MVALZRUUJKABLY-UYAOXDASSA-N 2 1 364.578 3.014 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000371125620 499290821 /nfs/dbraw/zinc/29/08/21/499290821.db2.gz BWMVHTWMAMZAHG-FQEVSTJZSA-N 2 1 366.509 3.346 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000368416098 499293601 /nfs/dbraw/zinc/29/36/01/499293601.db2.gz HRXSMFAWRZMZLM-JYAXBFRTSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000368416098 499293602 /nfs/dbraw/zinc/29/36/02/499293602.db2.gz HRXSMFAWRZMZLM-JYAXBFRTSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368440643 499296237 /nfs/dbraw/zinc/29/62/37/499296237.db2.gz GDJSTTZAWQKMBL-KRWDZBQOSA-N 2 1 355.511 3.019 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368440643 499296239 /nfs/dbraw/zinc/29/62/39/499296239.db2.gz GDJSTTZAWQKMBL-KRWDZBQOSA-N 2 1 355.511 3.019 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241530 499301480 /nfs/dbraw/zinc/30/14/80/499301480.db2.gz CRXKSABLTPNTSY-ZVDOUQERSA-N 2 1 373.516 3.028 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505031 499302981 /nfs/dbraw/zinc/30/29/81/499302981.db2.gz TYIPWITXDJVLLQ-PKTZIBPZSA-N 2 1 371.569 3.228 20 0 FGADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000371296209 499306860 /nfs/dbraw/zinc/30/68/60/499306860.db2.gz XRTDATUJWXJMJZ-CMKODMSKSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000371296209 499306861 /nfs/dbraw/zinc/30/68/61/499306861.db2.gz XRTDATUJWXJMJZ-CMKODMSKSA-N 2 1 362.514 3.168 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1SC ZINC000371296169 499307095 /nfs/dbraw/zinc/30/70/95/499307095.db2.gz XKJUPTQEQVECTN-IXDOHACOSA-N 2 1 350.528 3.101 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1SC ZINC000371296169 499307097 /nfs/dbraw/zinc/30/70/97/499307097.db2.gz XKJUPTQEQVECTN-IXDOHACOSA-N 2 1 350.528 3.101 20 0 FGADMP Cc1[nH+]c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)c2n1CCCC2 ZINC000371300565 499307166 /nfs/dbraw/zinc/30/71/66/499307166.db2.gz PVEDBJUASDBNSF-UHFFFAOYSA-N 2 1 352.482 3.054 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1 ZINC000371521045 499337496 /nfs/dbraw/zinc/33/74/96/499337496.db2.gz YQAAHMBOZOGACJ-OFNKIYASSA-N 2 1 364.537 3.329 20 0 FGADMP C[C@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000371589707 499345099 /nfs/dbraw/zinc/34/50/99/499345099.db2.gz VCRXYXKOFOINAZ-ROUUACIJSA-N 2 1 370.541 3.162 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)[C@H]([NH3+])c1ccccc1 ZINC000372099330 499399112 /nfs/dbraw/zinc/39/91/12/499399112.db2.gz SZMMAGWYXRNEDC-OYSPMZIOSA-N 2 1 357.523 3.193 20 0 FGADMP CC[C@H]1[C@H](C)CCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372320771 499420500 /nfs/dbraw/zinc/42/05/00/499420500.db2.gz OAYNMVSPJXYZEK-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP [NH3+]Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC000372436272 499434551 /nfs/dbraw/zinc/43/45/51/499434551.db2.gz IBTBKVRQXXVXFN-UXHICEINSA-N 2 1 353.466 3.008 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372947191 499444138 /nfs/dbraw/zinc/44/41/38/499444138.db2.gz LTHJHYVOYUOKRQ-QGZVFWFLSA-N 2 1 370.497 3.232 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000373157255 499454293 /nfs/dbraw/zinc/45/42/93/499454293.db2.gz ZJERWQSOLDAMKE-LZQZEXGQSA-N 2 1 368.468 3.310 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373386140 499466909 /nfs/dbraw/zinc/46/69/09/499466909.db2.gz RQOVPLQTIAKLFD-HMXCVIKNSA-N 2 1 368.525 3.160 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373386140 499466910 /nfs/dbraw/zinc/46/69/10/499466910.db2.gz RQOVPLQTIAKLFD-HMXCVIKNSA-N 2 1 368.525 3.160 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](C)c3cccc(C)c3)CC2)CC1 ZINC000573219136 506147183 /nfs/dbraw/zinc/14/71/83/506147183.db2.gz ZYIOIFDCYQTDMR-LJQANCHMSA-N 2 1 371.569 3.411 20 0 FGADMP C[C@H]1[N@@H+](CCC[NH+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497842 /nfs/dbraw/zinc/49/78/42/499497842.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@H]1[NH+](CCC[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497844 /nfs/dbraw/zinc/49/78/44/499497844.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@H]1[NH+](CCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237597 499497845 /nfs/dbraw/zinc/49/78/45/499497845.db2.gz AITNWEVMZYKHFR-KDURUIRLSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000378403546 499512743 /nfs/dbraw/zinc/51/27/43/499512743.db2.gz NKCHPAKIXJIKES-IXDOHACOSA-N 2 1 363.571 3.043 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518739 499526834 /nfs/dbraw/zinc/52/68/34/499526834.db2.gz LIYLYDFOVNQWOC-IEBWSBKVSA-N 2 1 372.557 3.293 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518739 499526836 /nfs/dbraw/zinc/52/68/36/499526836.db2.gz LIYLYDFOVNQWOC-IEBWSBKVSA-N 2 1 372.557 3.293 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643771 499542085 /nfs/dbraw/zinc/54/20/85/499542085.db2.gz GBULNRXBMDNLFF-HLAWJBBLSA-N 2 1 354.494 3.069 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643771 499542087 /nfs/dbraw/zinc/54/20/87/499542087.db2.gz GBULNRXBMDNLFF-HLAWJBBLSA-N 2 1 354.494 3.069 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626611 499542426 /nfs/dbraw/zinc/54/24/26/499542426.db2.gz MEOAFJBDLVVUMG-BAGYTPMASA-N 2 1 368.521 3.377 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626611 499542428 /nfs/dbraw/zinc/54/24/28/499542428.db2.gz MEOAFJBDLVVUMG-BAGYTPMASA-N 2 1 368.521 3.377 20 0 FGADMP COc1cc(OC)c(OC)cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000380101698 499543163 /nfs/dbraw/zinc/54/31/63/499543163.db2.gz NEGRRBADIIKKBR-QFBILLFUSA-N 2 1 370.493 3.465 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383806469 499546956 /nfs/dbraw/zinc/54/69/56/499546956.db2.gz ZXLRQKVQJGDQNL-HLAWJBBLSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740232 499550548 /nfs/dbraw/zinc/55/05/48/499550548.db2.gz FDHFDYHZRHAOBL-HLVDAAOLSA-N 2 1 350.453 3.457 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000397962201 499565522 /nfs/dbraw/zinc/56/55/22/499565522.db2.gz FOADEBGHVLUSRG-PTUXOGIPSA-N 2 1 368.521 3.064 20 0 FGADMP CC[N@H+]1CCCN(C(=O)Nc2cnc(N3CCCC[C@@H]3C)c(C)c2)CC1 ZINC000408160026 499578408 /nfs/dbraw/zinc/57/84/08/499578408.db2.gz SWGBMAZISDTBDG-KRWDZBQOSA-N 2 1 359.518 3.328 20 0 FGADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H](c4nccn4C)C3)n2)cc1 ZINC000376430966 499608397 /nfs/dbraw/zinc/60/83/97/499608397.db2.gz ZZCYIECECPJPOS-KRWDZBQOSA-N 2 1 351.454 3.412 20 0 FGADMP CCc1ccc(-c2noc(CN3CCC[C@H](c4nccn4C)C3)n2)cc1 ZINC000376430966 499608399 /nfs/dbraw/zinc/60/83/99/499608399.db2.gz ZZCYIECECPJPOS-KRWDZBQOSA-N 2 1 351.454 3.412 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000410360656 499657525 /nfs/dbraw/zinc/65/75/25/499657525.db2.gz SCUOMPBFSDMWMJ-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000377404325 499687327 /nfs/dbraw/zinc/68/73/27/499687327.db2.gz YDOGOQIZVNZOQY-QFIPXVFZSA-N 2 1 368.525 3.366 20 0 FGADMP FC(F)(F)c1ccc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000377454417 499692131 /nfs/dbraw/zinc/69/21/31/499692131.db2.gz KMVNZJULELGBEZ-UHFFFAOYSA-N 2 1 356.436 3.098 20 0 FGADMP FC(F)(F)c1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000377454417 499692133 /nfs/dbraw/zinc/69/21/33/499692133.db2.gz KMVNZJULELGBEZ-UHFFFAOYSA-N 2 1 356.436 3.098 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[NH+]2CCCCC2)c1)c1ccco1 ZINC000411150071 499703179 /nfs/dbraw/zinc/70/31/79/499703179.db2.gz UWMQRDNNYUYGPI-IBGZPJMESA-N 2 1 355.482 3.298 20 0 FGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626249 499712286 /nfs/dbraw/zinc/71/22/86/499712286.db2.gz MJMPTUFSSLTXEP-INIZCTEOSA-N 2 1 371.447 3.027 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@H]2COCC[C@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315150 499725167 /nfs/dbraw/zinc/72/51/67/499725167.db2.gz HDTRVCCAJIVQNM-XETXSBNLSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000411315150 499725168 /nfs/dbraw/zinc/72/51/68/499725168.db2.gz HDTRVCCAJIVQNM-XETXSBNLSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000411315150 499725170 /nfs/dbraw/zinc/72/51/70/499725170.db2.gz HDTRVCCAJIVQNM-XETXSBNLSA-N 2 1 364.574 3.405 20 0 FGADMP COC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741912 499727249 /nfs/dbraw/zinc/72/72/49/499727249.db2.gz XDNQMJAOJYITLK-IFMALSPDSA-N 2 1 360.542 3.320 20 0 FGADMP Cc1ccc2ncc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cc2c1 ZINC000411406510 499736080 /nfs/dbraw/zinc/73/60/80/499736080.db2.gz JGFOGOFDQGRYRU-CBQGHPETSA-N 2 1 364.537 3.286 20 0 FGADMP Cc1ccc2ncc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cc2c1 ZINC000411406510 499736081 /nfs/dbraw/zinc/73/60/81/499736081.db2.gz JGFOGOFDQGRYRU-CBQGHPETSA-N 2 1 364.537 3.286 20 0 FGADMP CCN1C[C@H](C)[NH+](CC[C@@H](C)CC[N@H+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000411416654 499737435 /nfs/dbraw/zinc/73/74/35/499737435.db2.gz CZYUWGLSEBCWCI-QGJCJDORSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[N@H+](CC[C@@H](C)CC[NH+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000411416654 499737437 /nfs/dbraw/zinc/73/74/37/499737437.db2.gz CZYUWGLSEBCWCI-QGJCJDORSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[N@@H+](CC[C@@H](C)CC[NH+]2C[C@H](C)N(CC)C[C@H]2C)C[C@H]1C ZINC000411416654 499737439 /nfs/dbraw/zinc/73/74/39/499737439.db2.gz CZYUWGLSEBCWCI-QGJCJDORSA-N 2 1 366.638 3.232 20 0 FGADMP CSc1cc2c(cc1C[N@H+](C)C[C@H]1CCn3cc[nH+]c3C1)OCCO2 ZINC000377862541 499743294 /nfs/dbraw/zinc/74/32/94/499743294.db2.gz XSMOEBQEQWXQHK-AWEZNQCLSA-N 2 1 359.495 3.071 20 0 FGADMP CSc1cc2c(cc1C[N@@H+](C)C[C@H]1CCn3cc[nH+]c3C1)OCCO2 ZINC000377862541 499743296 /nfs/dbraw/zinc/74/32/96/499743296.db2.gz XSMOEBQEQWXQHK-AWEZNQCLSA-N 2 1 359.495 3.071 20 0 FGADMP Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414128433 499762920 /nfs/dbraw/zinc/76/29/20/499762920.db2.gz RZAWVNUSZXVOGI-BAGYTPMASA-N 2 1 352.526 3.243 20 0 FGADMP O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411598784 499767641 /nfs/dbraw/zinc/76/76/41/499767641.db2.gz ATDPVKGAXKVHBL-UHFFFAOYSA-N 2 1 355.526 3.117 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000414261480 499772535 /nfs/dbraw/zinc/77/25/35/499772535.db2.gz ICWMLTSFFLNTKJ-UHFFFAOYSA-N 2 1 364.536 3.037 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Cl)cc2Cl)CC1 ZINC000411654959 499773463 /nfs/dbraw/zinc/77/34/63/499773463.db2.gz ZXTAEZUQDNFCDL-GFCCVEGCSA-N 2 1 358.313 3.245 20 0 FGADMP O[C@H]([C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798837 499791883 /nfs/dbraw/zinc/79/18/83/499791883.db2.gz JQANEXUZYYQDHC-ZWKOTPCHSA-N 2 1 356.432 3.418 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000414443654 499792996 /nfs/dbraw/zinc/79/29/96/499792996.db2.gz ODRMYFPYIRSFAT-SFHVURJKSA-N 2 1 356.489 3.484 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(CC)s1 ZINC000414532354 499804270 /nfs/dbraw/zinc/80/42/70/499804270.db2.gz UVTAQXMLFLACCY-IEBWSBKVSA-N 2 1 359.539 3.332 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc(CC)s1 ZINC000414532354 499804271 /nfs/dbraw/zinc/80/42/71/499804271.db2.gz UVTAQXMLFLACCY-IEBWSBKVSA-N 2 1 359.539 3.332 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674614 499819377 /nfs/dbraw/zinc/81/93/77/499819377.db2.gz KVBZWGSZNJRDJR-SFHVURJKSA-N 2 1 351.494 3.002 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CCCCC1 ZINC000414716185 499822390 /nfs/dbraw/zinc/82/23/90/499822390.db2.gz RSJNILZSVJSIPW-UZLBHIALSA-N 2 1 356.514 3.277 20 0 FGADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414729911 499823848 /nfs/dbraw/zinc/82/38/48/499823848.db2.gz GBTWGHAQMKRRMB-KGLIPLIRSA-N 2 1 357.420 3.354 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC12CCOCC2 ZINC000414776021 499829675 /nfs/dbraw/zinc/82/96/75/499829675.db2.gz CTVFEBQQPDTFEJ-OAHLLOKOSA-N 2 1 361.486 3.137 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC12CCOCC2 ZINC000414776021 499829677 /nfs/dbraw/zinc/82/96/77/499829677.db2.gz CTVFEBQQPDTFEJ-OAHLLOKOSA-N 2 1 361.486 3.137 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]C2CC[NH2+]CC2)cc1OCC ZINC000414781308 499830533 /nfs/dbraw/zinc/83/05/33/499830533.db2.gz CFXSTDRKAPJAHJ-UHFFFAOYSA-N 2 1 371.319 3.478 20 0 FGADMP COc1ccc(OCc2nc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cs2)cc1 ZINC000414801909 499832989 /nfs/dbraw/zinc/83/29/89/499832989.db2.gz MJEMHGZNYXLWTC-RDTXWAMCSA-N 2 1 361.511 3.338 20 0 FGADMP COc1cc(Br)c(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414809025 499833508 /nfs/dbraw/zinc/83/35/08/499833508.db2.gz TUMGWPCNMOSACN-SMDDNHRTSA-N 2 1 357.292 3.073 20 0 FGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813850 499833689 /nfs/dbraw/zinc/83/36/89/499833689.db2.gz MZSIJLZCSXZPPD-WFASDCNBSA-N 2 1 356.308 3.273 20 0 FGADMP C[C@@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000414882918 499841026 /nfs/dbraw/zinc/84/10/26/499841026.db2.gz SNTZURXPEWJGKC-KNQAVFIVSA-N 2 1 352.526 3.204 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000414902694 499843442 /nfs/dbraw/zinc/84/34/42/499843442.db2.gz LHBBGWIQIOJMKI-FQEVSTJZSA-N 2 1 355.486 3.304 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414939826 499846651 /nfs/dbraw/zinc/84/66/51/499846651.db2.gz JWGLVYUUPUYJEB-APWZRJJASA-N 2 1 370.493 3.370 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000415005086 499853963 /nfs/dbraw/zinc/85/39/63/499853963.db2.gz OTUUCHCNBSJASP-FXAWDEMLSA-N 2 1 358.457 3.326 20 0 FGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037892 499856807 /nfs/dbraw/zinc/85/68/07/499856807.db2.gz LMKHWNZFKMZEOH-FEBNOMPUSA-N 2 1 352.478 3.247 20 0 FGADMP Fc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C(F)(F)F)c1 ZINC000415061119 499859683 /nfs/dbraw/zinc/85/96/83/499859683.db2.gz XYTJMIABMCKPIY-UHFFFAOYSA-N 2 1 359.411 3.151 20 0 FGADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1CCCC1 ZINC000415061712 499859713 /nfs/dbraw/zinc/85/97/13/499859713.db2.gz DDHXRYDEPNRHDY-OAHLLOKOSA-N 2 1 369.303 3.218 20 0 FGADMP O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415077413 499861118 /nfs/dbraw/zinc/86/11/18/499861118.db2.gz FBGCJYXEGZYWKD-FCHUYYIVSA-N 2 1 363.505 3.392 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415086472 499861869 /nfs/dbraw/zinc/86/18/69/499861869.db2.gz JREGZEWUOBOJAY-UYAOXDASSA-N 2 1 352.482 3.132 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101898 499863720 /nfs/dbraw/zinc/86/37/20/499863720.db2.gz BUHQDQOOQYTXNK-ZFWWWQNUSA-N 2 1 360.420 3.443 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122870 499866405 /nfs/dbraw/zinc/86/64/05/499866405.db2.gz IUXVHCIUWYJDKC-APWZRJJASA-N 2 1 355.482 3.086 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122872 499866596 /nfs/dbraw/zinc/86/65/96/499866596.db2.gz IUXVHCIUWYJDKC-LPHOPBHVSA-N 2 1 355.482 3.086 20 0 FGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000415125353 499866825 /nfs/dbraw/zinc/86/68/25/499866825.db2.gz DMMMEWBTNKTXPT-UHFFFAOYSA-N 2 1 352.482 3.263 20 0 FGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCc2cn3cccc(C)c3n2)cc1 ZINC000415125353 499866826 /nfs/dbraw/zinc/86/68/26/499866826.db2.gz DMMMEWBTNKTXPT-UHFFFAOYSA-N 2 1 352.482 3.263 20 0 FGADMP O=C1CCCN1C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415129056 499867870 /nfs/dbraw/zinc/86/78/70/499867870.db2.gz YIKMHPXAKXVFON-SJORKVTESA-N 2 1 369.431 3.101 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000415132426 499868317 /nfs/dbraw/zinc/86/83/17/499868317.db2.gz UEQVGAUVTXPYGI-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000415132431 499868365 /nfs/dbraw/zinc/86/83/65/499868365.db2.gz UEQVGAUVTXPYGI-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@H]1C[NH3+] ZINC000415133352 499868374 /nfs/dbraw/zinc/86/83/74/499868374.db2.gz VBXYAQQZSQMUOW-UKRRQHHQSA-N 2 1 352.404 3.308 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000415905345 499926459 /nfs/dbraw/zinc/92/64/59/499926459.db2.gz ICGYMXGPXHTDEU-UHFFFAOYSA-N 2 1 367.497 3.290 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000415905506 499926613 /nfs/dbraw/zinc/92/66/13/499926613.db2.gz UXTPOSMMGWYYMW-SFHVURJKSA-N 2 1 366.509 3.392 20 0 FGADMP CC[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000415907062 499926931 /nfs/dbraw/zinc/92/69/31/499926931.db2.gz ZLQOLQZLWPMGSF-HXUWFJFHSA-N 2 1 366.509 3.364 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000415915595 499927816 /nfs/dbraw/zinc/92/78/16/499927816.db2.gz ZJYLHMGSYAFTLR-YLJYHZDGSA-N 2 1 356.514 3.277 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000415920665 499928670 /nfs/dbraw/zinc/92/86/70/499928670.db2.gz KGZYEKISJMQPQT-BGYRXZFFSA-N 2 1 364.493 3.002 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415944238 499931402 /nfs/dbraw/zinc/93/14/02/499931402.db2.gz OHJOADFXYIGWKC-IBGZPJMESA-N 2 1 352.482 3.192 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417041319 499956059 /nfs/dbraw/zinc/95/60/59/499956059.db2.gz KZWXILWXSCFCMM-UYAOXDASSA-N 2 1 360.546 3.420 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573305655 506167119 /nfs/dbraw/zinc/16/71/19/506167119.db2.gz GTZBPKYWLWYFCV-ROUUACIJSA-N 2 1 367.497 3.128 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)C[C@H](c3ccccc3)[NH+](C)C)CC2)[nH+]c1 ZINC000416157147 499962460 /nfs/dbraw/zinc/96/24/60/499962460.db2.gz QMRIEQTUXSUHLQ-HXUWFJFHSA-N 2 1 366.509 3.168 20 0 FGADMP CC(C)(C)OC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)C1CCOCC1 ZINC000570448032 506169934 /nfs/dbraw/zinc/16/99/34/506169934.db2.gz IGNTUXQRORMLQH-UHFFFAOYSA-N 2 1 354.535 3.075 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000417229880 500011987 /nfs/dbraw/zinc/01/19/87/500011987.db2.gz YCUKOZGROBSOKC-YLJYHZDGSA-N 2 1 372.557 3.378 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240868 500015476 /nfs/dbraw/zinc/01/54/76/500015476.db2.gz QDEDDZLHOZIGCI-HKUYNNGSSA-N 2 1 360.546 3.276 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000429163667 500017065 /nfs/dbraw/zinc/01/70/65/500017065.db2.gz NUWZQUSLCUGGKS-SFTDATJTSA-N 2 1 351.494 3.176 20 0 FGADMP CC(C)[C@](C)(C[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429266584 500038380 /nfs/dbraw/zinc/03/83/80/500038380.db2.gz JDQGDJWQPIVCFG-QFIPXVFZSA-N 2 1 353.510 3.422 20 0 FGADMP COC1(C[C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000429520488 500092954 /nfs/dbraw/zinc/09/29/54/500092954.db2.gz SONZZJAVRMSRSY-PZJWPPBQSA-N 2 1 359.558 3.303 20 0 FGADMP COC(=O)[C@@H](CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414306 500098053 /nfs/dbraw/zinc/09/80/53/500098053.db2.gz FTICISHXRUZRTM-ICSRJNTNSA-N 2 1 367.493 3.471 20 0 FGADMP COC(=O)[C@@H](CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414306 500098058 /nfs/dbraw/zinc/09/80/58/500098058.db2.gz FTICISHXRUZRTM-ICSRJNTNSA-N 2 1 367.493 3.471 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537155 500100459 /nfs/dbraw/zinc/10/04/59/500100459.db2.gz CPKXFPHIKWNIOF-XLIONFOSSA-N 2 1 360.546 3.229 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000417644544 500136063 /nfs/dbraw/zinc/13/60/63/500136063.db2.gz AJPUHKOZRFJMOM-LAUBAEHRSA-N 2 1 366.509 3.170 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000414054551 500140280 /nfs/dbraw/zinc/14/02/80/500140280.db2.gz BRIVCYSKVFDMME-GOSISDBHSA-N 2 1 353.510 3.318 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H]1CC1(C)C ZINC000414065194 500142747 /nfs/dbraw/zinc/14/27/47/500142747.db2.gz GTXQGZAFTDTXBU-VQTJNVASSA-N 2 1 373.541 3.262 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552964 500143856 /nfs/dbraw/zinc/14/38/56/500143856.db2.gz LNGUYNOMOHZUJR-QFIPXVFZSA-N 2 1 370.537 3.300 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425552964 500143861 /nfs/dbraw/zinc/14/38/61/500143861.db2.gz LNGUYNOMOHZUJR-QFIPXVFZSA-N 2 1 370.537 3.300 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785226 500144824 /nfs/dbraw/zinc/14/48/24/500144824.db2.gz LLCYZXOAQFBAPO-QFUCXCTJSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785226 500144829 /nfs/dbraw/zinc/14/48/29/500144829.db2.gz LLCYZXOAQFBAPO-QFUCXCTJSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785226 500144834 /nfs/dbraw/zinc/14/48/34/500144834.db2.gz LLCYZXOAQFBAPO-QFUCXCTJSA-N 2 1 362.558 3.386 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417740014 500160984 /nfs/dbraw/zinc/16/09/84/500160984.db2.gz RGSXMZCQAMAYBA-IBGZPJMESA-N 2 1 357.502 3.094 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1 ZINC000416966665 500168694 /nfs/dbraw/zinc/16/86/94/500168694.db2.gz FVCQXCROPHUIST-RBUKOAKNSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000416968898 500169140 /nfs/dbraw/zinc/16/91/40/500169140.db2.gz BADPLZOGYSNKPW-ZWKOTPCHSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000416968381 500169253 /nfs/dbraw/zinc/16/92/53/500169253.db2.gz IXJMBLXHOPUVJZ-GHTZIAJQSA-N 2 1 374.573 3.433 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000416970820 500170671 /nfs/dbraw/zinc/17/06/71/500170671.db2.gz OGGJVWWDLSPCQL-IBGZPJMESA-N 2 1 360.546 3.104 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000416970829 500170678 /nfs/dbraw/zinc/17/06/78/500170678.db2.gz OIMRFSTZFBYVNW-GOSISDBHSA-N 2 1 370.541 3.028 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000416970555 500170984 /nfs/dbraw/zinc/17/09/84/500170984.db2.gz NYYUPILFTZNANH-NRFANRHFSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416981028 500173990 /nfs/dbraw/zinc/17/39/90/500173990.db2.gz UOYDHABDMWFVMY-NQIIRXRSSA-N 2 1 372.557 3.392 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416985033 500175718 /nfs/dbraw/zinc/17/57/18/500175718.db2.gz YJBONBJTOYRJQI-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)C1 ZINC000417001205 500180911 /nfs/dbraw/zinc/18/09/11/500180911.db2.gz ZOHCNIMDMURZBF-IIMDRIAPSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000417001527 500180953 /nfs/dbraw/zinc/18/09/53/500180953.db2.gz MVZSZRGIUHRLLL-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)C1 ZINC000417001207 500181201 /nfs/dbraw/zinc/18/12/01/500181201.db2.gz ZOHCNIMDMURZBF-TWFHAPMSSA-N 2 1 372.557 3.043 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417843636 500182511 /nfs/dbraw/zinc/18/25/11/500182511.db2.gz QVEGVOIPQSECDR-YSIASYRMSA-N 2 1 360.546 3.054 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417843037 500182779 /nfs/dbraw/zinc/18/27/79/500182779.db2.gz QDEREZIVFKRAMQ-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000417855837 500184852 /nfs/dbraw/zinc/18/48/52/500184852.db2.gz LXIPSVAAAAILKD-WBVHZDCISA-N 2 1 355.486 3.012 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000417873350 500188634 /nfs/dbraw/zinc/18/86/34/500188634.db2.gz JDYSUQLTWOKMDE-LEWJYISDSA-N 2 1 372.557 3.060 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000417879476 500190243 /nfs/dbraw/zinc/19/02/43/500190243.db2.gz PQEDXZRPCKQVJM-FXAWDEMLSA-N 2 1 360.546 3.187 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417933591 500200579 /nfs/dbraw/zinc/20/05/79/500200579.db2.gz XYRPJSIMCFQZDK-HKUYNNGSSA-N 2 1 360.546 3.104 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035352 500203155 /nfs/dbraw/zinc/20/31/55/500203155.db2.gz LCVGWFTXNJQZBP-ROUUACIJSA-N 2 1 358.530 3.046 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035352 500203157 /nfs/dbraw/zinc/20/31/57/500203157.db2.gz LCVGWFTXNJQZBP-ROUUACIJSA-N 2 1 358.530 3.046 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417984127 500209351 /nfs/dbraw/zinc/20/93/51/500209351.db2.gz OMGCILFJCWKMGD-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP CCCN(C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987103 500209976 /nfs/dbraw/zinc/20/99/76/500209976.db2.gz GBECJEPSYBAWIR-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417992487 500211158 /nfs/dbraw/zinc/21/11/58/500211158.db2.gz MQAJLQMTXYSWET-MJGOQNOKSA-N 2 1 364.578 3.190 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418017106 500214822 /nfs/dbraw/zinc/21/48/22/500214822.db2.gz RZMWDELSLZMSMY-LLGFUMIMSA-N 2 1 366.509 3.026 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000418035358 500217517 /nfs/dbraw/zinc/21/75/17/500217517.db2.gz AIWOALXENFQUEU-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)(C)OC(=O)CC[N@@H+](Cc1cccc2nccn21)C1CCOCC1 ZINC000579474179 506183635 /nfs/dbraw/zinc/18/36/35/506183635.db2.gz JBYAXBHKMBBMLU-UHFFFAOYSA-N 2 1 359.470 3.047 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418156872 500238798 /nfs/dbraw/zinc/23/87/98/500238798.db2.gz NUDDEDGIHRBRJJ-AQNXPRMDSA-N 2 1 372.557 3.104 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427357 500239285 /nfs/dbraw/zinc/23/92/85/500239285.db2.gz PLQHUBZTBBJVFJ-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427357 500239290 /nfs/dbraw/zinc/23/92/90/500239290.db2.gz PLQHUBZTBBJVFJ-PMACEKPBSA-N 2 1 361.505 3.123 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418233515 500253689 /nfs/dbraw/zinc/25/36/89/500253689.db2.gz ISFXEAZSWPJCAC-QUCCMNQESA-N 2 1 360.546 3.105 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430570095 500255819 /nfs/dbraw/zinc/25/58/19/500255819.db2.gz IJCHMZFYKVEQTC-NRFANRHFSA-N 2 1 371.550 3.275 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574369 500256315 /nfs/dbraw/zinc/25/63/15/500256315.db2.gz SFXSOJXBSSUBNP-CXAGYDPISA-N 2 1 357.901 3.131 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574369 500256318 /nfs/dbraw/zinc/25/63/18/500256318.db2.gz SFXSOJXBSSUBNP-CXAGYDPISA-N 2 1 357.901 3.131 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288633 500256958 /nfs/dbraw/zinc/25/69/58/500256958.db2.gz KIOLDJJFSHMMLN-BJLQDIEVSA-N 2 1 363.521 3.131 20 0 FGADMP Clc1cccc(-c2noc(CC[NH+]3CCC([NH2+]CC4CC4)CC3)n2)c1 ZINC000430597858 500260520 /nfs/dbraw/zinc/26/05/20/500260520.db2.gz QYNQOIQWSVPCCK-UHFFFAOYSA-N 2 1 360.889 3.397 20 0 FGADMP CCCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418308491 500260801 /nfs/dbraw/zinc/26/08/01/500260801.db2.gz BTNCTBOGGKXYQN-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH2+]CC1CC[NH+](CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000430603361 500260912 /nfs/dbraw/zinc/26/09/12/500260912.db2.gz YJDDDXGZTHMRPY-UHFFFAOYSA-N 2 1 366.571 3.079 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430610087 500261553 /nfs/dbraw/zinc/26/15/53/500261553.db2.gz JTBAEHNQTHEYAR-XLIONFOSSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430610087 500261554 /nfs/dbraw/zinc/26/15/54/500261554.db2.gz JTBAEHNQTHEYAR-XLIONFOSSA-N 2 1 357.542 3.318 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418350122 500266716 /nfs/dbraw/zinc/26/67/16/500266716.db2.gz QPVDRDFTONZCDT-SVFBPWRDSA-N 2 1 372.557 3.243 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418355007 500267780 /nfs/dbraw/zinc/26/77/80/500267780.db2.gz FJGADPTVKXTTNO-CTNGQTDRSA-N 2 1 372.557 3.058 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430704602 500272667 /nfs/dbraw/zinc/27/26/67/500272667.db2.gz IQTWHEHSEOHBKZ-PWRODBHTSA-N 2 1 357.542 3.265 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1)CC1CC1 ZINC000418407028 500272838 /nfs/dbraw/zinc/27/28/38/500272838.db2.gz FPBDPAFXEJOPAX-UXHICEINSA-N 2 1 364.578 3.048 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1)CC(C)C ZINC000418427559 500275337 /nfs/dbraw/zinc/27/53/37/500275337.db2.gz OEWAAKQIAVBUDP-IBGZPJMESA-N 2 1 354.583 3.149 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418525176 500287057 /nfs/dbraw/zinc/28/70/57/500287057.db2.gz XODPHFWVZBONKY-NQIIRXRSSA-N 2 1 364.578 3.062 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422746930 500293774 /nfs/dbraw/zinc/29/37/74/500293774.db2.gz XOBIJLYGILMIIZ-IRXDYDNUSA-N 2 1 350.526 3.136 20 0 FGADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422779899 500296852 /nfs/dbraw/zinc/29/68/52/500296852.db2.gz JOTRDXPKMYSCIS-XPWALMASSA-N 2 1 371.569 3.309 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000422837102 500304058 /nfs/dbraw/zinc/30/40/58/500304058.db2.gz LJKZHGXWWKAICH-TVTNDZMWSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000422837102 500304059 /nfs/dbraw/zinc/30/40/59/500304059.db2.gz LJKZHGXWWKAICH-TVTNDZMWSA-N 3 1 352.526 3.410 20 0 FGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837643 500304091 /nfs/dbraw/zinc/30/40/91/500304091.db2.gz MQTFMTLELFSHGW-RXVVDRJESA-N 2 1 359.558 3.044 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678432 500306448 /nfs/dbraw/zinc/30/64/48/500306448.db2.gz CKCAPESTJKMLCM-UAFMIMERSA-N 2 1 364.578 3.048 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000430936184 500309575 /nfs/dbraw/zinc/30/95/75/500309575.db2.gz XVENOPOBKVXFMH-SNVBAGLBSA-N 2 1 363.811 3.357 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878225 500309712 /nfs/dbraw/zinc/30/97/12/500309712.db2.gz JPVQZBSQVBDNNW-FIEIAYSHSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878225 500309715 /nfs/dbraw/zinc/30/97/15/500309715.db2.gz JPVQZBSQVBDNNW-FIEIAYSHSA-N 2 1 357.542 3.198 20 0 FGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884059 500310468 /nfs/dbraw/zinc/31/04/68/500310468.db2.gz RNHZPLHZZFXWIG-SFTDATJTSA-N 2 1 367.493 3.454 20 0 FGADMP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892057 500311744 /nfs/dbraw/zinc/31/17/44/500311744.db2.gz LWSXYYQAJKBPSC-WEMPKCCASA-N 2 1 359.558 3.021 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430951668 500312566 /nfs/dbraw/zinc/31/25/66/500312566.db2.gz WCCUSAKBSLMLJM-UHFFFAOYSA-N 2 1 353.466 3.349 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422904383 500314017 /nfs/dbraw/zinc/31/40/17/500314017.db2.gz XHCKJFLTUPDLGG-HKUYNNGSSA-N 2 1 360.546 3.325 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430965013 500314213 /nfs/dbraw/zinc/31/42/13/500314213.db2.gz HHOOPZHZCBUGQJ-INIZCTEOSA-N 2 1 353.466 3.477 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CCOCC1 ZINC000422906242 500314813 /nfs/dbraw/zinc/31/48/13/500314813.db2.gz UURMHZKFQYDNSN-PBHICJAKSA-N 2 1 352.906 3.127 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000431011176 500322683 /nfs/dbraw/zinc/32/26/83/500322683.db2.gz BILPCBYOCHPUOA-QYZOEREBSA-N 2 1 373.541 3.372 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000431011175 500322752 /nfs/dbraw/zinc/32/27/52/500322752.db2.gz BILPCBYOCHPUOA-QRVBRYPASA-N 2 1 373.541 3.372 20 0 FGADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H]1OCc1ccccc1 ZINC000423047808 500335174 /nfs/dbraw/zinc/33/51/74/500335174.db2.gz HDNRBWKOUNHCIT-QGLKVJOYSA-N 2 1 358.526 3.117 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101498 500342766 /nfs/dbraw/zinc/34/27/66/500342766.db2.gz IYLILIVNMLWSGZ-VXKWHMMOSA-N 3 1 351.494 3.394 20 0 FGADMP CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423161354 500350008 /nfs/dbraw/zinc/35/00/08/500350008.db2.gz NMZQNLIKPHFGQQ-NJAFHUGGSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197396 500365600 /nfs/dbraw/zinc/36/56/00/500365600.db2.gz CPNOXWGZCBBILI-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423361975 500367583 /nfs/dbraw/zinc/36/75/83/500367583.db2.gz HIDGPIQFFOUUAN-AXVVYFOYSA-N 2 1 374.479 3.460 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000427274545 500376533 /nfs/dbraw/zinc/37/65/33/500376533.db2.gz MUVIKHYWGZUDPO-KURKYZTESA-N 2 1 359.514 3.014 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCS2 ZINC000423523256 500381740 /nfs/dbraw/zinc/38/17/40/500381740.db2.gz VRKSCYBHSHKREW-LADRWXRNSA-N 2 1 361.555 3.038 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431621260 500399597 /nfs/dbraw/zinc/39/95/97/500399597.db2.gz LPUPFFBWOMWAFP-JOCHJYFZSA-N 2 1 365.521 3.414 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423862238 500413542 /nfs/dbraw/zinc/41/35/42/500413542.db2.gz FUDPBXUTJJCGJZ-WJMWBRGCSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423892531 500416803 /nfs/dbraw/zinc/41/68/03/500416803.db2.gz CBGFGNIWOPQCEJ-IWLVTHKOSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910741 500418488 /nfs/dbraw/zinc/41/84/88/500418488.db2.gz VERFXEGEKXWINU-YZGWKJHDSA-N 2 1 357.542 3.182 20 0 FGADMP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)ccc1F ZINC000431767940 500421845 /nfs/dbraw/zinc/42/18/45/500421845.db2.gz HYLQZYQVBCKFSU-FQEVSTJZSA-N 2 1 361.505 3.301 20 0 FGADMP CC[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423961092 500425107 /nfs/dbraw/zinc/42/51/07/500425107.db2.gz DLECGYWTCIKQQP-LEWJYISDSA-N 2 1 353.510 3.493 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000431845532 500433359 /nfs/dbraw/zinc/43/33/59/500433359.db2.gz OVGRWIWGKYZVMO-WMQCIHAUSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845532 500433362 /nfs/dbraw/zinc/43/33/62/500433362.db2.gz OVGRWIWGKYZVMO-WMQCIHAUSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000431845532 500433364 /nfs/dbraw/zinc/43/33/64/500433364.db2.gz OVGRWIWGKYZVMO-WMQCIHAUSA-N 2 1 359.558 3.259 20 0 FGADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420297887 500436063 /nfs/dbraw/zinc/43/60/63/500436063.db2.gz DTHKXXYTMPSQRA-WBMJQRKESA-N 2 1 356.297 3.396 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302902 500437448 /nfs/dbraw/zinc/43/74/48/500437448.db2.gz JYIICFWVYQBYNW-RBUKOAKNSA-N 2 1 367.493 3.088 20 0 FGADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H](O)COc1cccc2ccccc21 ZINC000420303013 500437465 /nfs/dbraw/zinc/43/74/65/500437465.db2.gz KFRUBGFJNUJXOI-UYAOXDASSA-N 2 1 356.510 3.290 20 0 FGADMP CCC[N@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH2+]CC1 ZINC000420312497 500439106 /nfs/dbraw/zinc/43/91/06/500439106.db2.gz HWDBRBLCSIIQRR-QGZVFWFLSA-N 2 1 353.869 3.048 20 0 FGADMP CCC[N@@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH2+]CC1 ZINC000420312497 500439107 /nfs/dbraw/zinc/43/91/07/500439107.db2.gz HWDBRBLCSIIQRR-QGZVFWFLSA-N 2 1 353.869 3.048 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420311476 500439204 /nfs/dbraw/zinc/43/92/04/500439204.db2.gz HCIQXLCTFJYJFO-QINHECLXSA-N 2 1 353.466 3.044 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000420311476 500439206 /nfs/dbraw/zinc/43/92/06/500439206.db2.gz HCIQXLCTFJYJFO-QINHECLXSA-N 2 1 353.466 3.044 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CCC2)c1 ZINC000420314230 500440095 /nfs/dbraw/zinc/44/00/95/500440095.db2.gz VJLJOMZQQMSJFZ-TYPHKJRUSA-N 2 1 358.526 3.441 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000420316689 500440224 /nfs/dbraw/zinc/44/02/24/500440224.db2.gz MDZLZQYCXBWXJX-IRFCIJBXSA-N 2 1 359.558 3.324 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329440 500442405 /nfs/dbraw/zinc/44/24/05/500442405.db2.gz GURGDBIEDCHOBT-RWMBFGLXSA-N 2 1 356.297 3.252 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328844 500442366 /nfs/dbraw/zinc/44/23/66/500442366.db2.gz NCJAZGRHXBJNBF-HOTGVXAUSA-N 2 1 360.889 3.254 20 0 FGADMP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000427884787 500442630 /nfs/dbraw/zinc/44/26/30/500442630.db2.gz HEESBUKEVJTIPN-BURNTYAHSA-N 2 1 350.510 3.088 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337936 500443909 /nfs/dbraw/zinc/44/39/09/500443909.db2.gz XLOPQOAHUQJNPL-DZGCQCFKSA-N 2 1 358.404 3.334 20 0 FGADMP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339940 500444834 /nfs/dbraw/zinc/44/48/34/500444834.db2.gz ZKDVAICXSJEXIW-OIISXLGYSA-N 2 1 358.461 3.182 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000420377395 500451127 /nfs/dbraw/zinc/45/11/27/500451127.db2.gz KXKRZPDKBADDEK-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420385655 500452643 /nfs/dbraw/zinc/45/26/43/500452643.db2.gz UCVPEVUWTZUJSS-DBXWQHBBSA-N 2 1 365.521 3.197 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420385655 500452646 /nfs/dbraw/zinc/45/26/46/500452646.db2.gz UCVPEVUWTZUJSS-DBXWQHBBSA-N 2 1 365.521 3.197 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2cc(Cl)cc(I)c2)CC1 ZINC000424179610 500463884 /nfs/dbraw/zinc/46/38/84/500463884.db2.gz ZDNNQLGESOSLMY-UHFFFAOYSA-N 2 1 364.658 3.128 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000424244322 500474531 /nfs/dbraw/zinc/47/45/31/500474531.db2.gz QYNNTCVNGKELIH-SFHVURJKSA-N 2 1 355.457 3.444 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288086 500481951 /nfs/dbraw/zinc/48/19/51/500481951.db2.gz KCTRYLXNUUNCGL-MSOLQXFVSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCOc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424293640 500482484 /nfs/dbraw/zinc/48/24/84/500482484.db2.gz PJQJWLKLSNDKDU-AWEZNQCLSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Cl)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424298992 500483070 /nfs/dbraw/zinc/48/30/70/500483070.db2.gz VFRBTFJCMVHQNJ-AWEZNQCLSA-N 2 1 350.890 3.465 20 0 FGADMP COc1ccc(Br)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424298161 500483430 /nfs/dbraw/zinc/48/34/30/500483430.db2.gz TZKPNZVGDSOYTR-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2csc(Cl)c2Cl)CC1 ZINC000432249738 500488949 /nfs/dbraw/zinc/48/89/49/500488949.db2.gz GVOUBOWGXOYPBR-UHFFFAOYSA-N 2 1 350.359 3.418 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cnn(Cc2ccccc2)c1 ZINC000424370310 500492539 /nfs/dbraw/zinc/49/25/39/500492539.db2.gz DOVBAMKINXEEQN-MRXNPFEDSA-N 2 1 365.481 3.237 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(Cl)c1OC ZINC000432347703 500502128 /nfs/dbraw/zinc/50/21/28/500502128.db2.gz OKRWZJREGXKQPG-OAHLLOKOSA-N 2 1 370.921 3.338 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(Cl)c1OC ZINC000432347703 500502131 /nfs/dbraw/zinc/50/21/31/500502131.db2.gz OKRWZJREGXKQPG-OAHLLOKOSA-N 2 1 370.921 3.338 20 0 FGADMP COc1cc(Br)ccc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432350906 500503146 /nfs/dbraw/zinc/50/31/46/500503146.db2.gz GNAJZGUKORKYHG-AWEZNQCLSA-N 2 1 371.319 3.048 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420798394 500503890 /nfs/dbraw/zinc/50/38/90/500503890.db2.gz XGLNQJICKIAVPQ-WWDZGPRUSA-N 2 1 352.567 3.059 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424439139 500505924 /nfs/dbraw/zinc/50/59/24/500505924.db2.gz REWNTOFNAUQFBB-OXJNMPFZSA-N 2 1 352.482 3.238 20 0 FGADMP C[C@@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929936 500533748 /nfs/dbraw/zinc/53/37/48/500533748.db2.gz FCALBFDTYFMQBA-FQEVSTJZSA-N 2 1 368.521 3.292 20 0 FGADMP C[C@@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929936 500533751 /nfs/dbraw/zinc/53/37/51/500533751.db2.gz FCALBFDTYFMQBA-FQEVSTJZSA-N 2 1 368.521 3.292 20 0 FGADMP FC(F)O[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420959090 500541437 /nfs/dbraw/zinc/54/14/37/500541437.db2.gz FQIUMJJQLNSFSW-QZTJIDSGSA-N 2 1 354.441 3.159 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000420986463 500548523 /nfs/dbraw/zinc/54/85/23/500548523.db2.gz YMSNPJICMDNRPR-UHFFFAOYSA-N 2 1 371.569 3.392 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@@H]1CCC[NH2+]1 ZINC000582400593 506202345 /nfs/dbraw/zinc/20/23/45/506202345.db2.gz OHDSWCKYGRSFPL-FXICIYEWSA-N 2 1 373.585 3.173 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@@H](CCO)CC1)CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421015974 500554703 /nfs/dbraw/zinc/55/47/03/500554703.db2.gz LXURDWRTLCXYAB-DKUWSORSSA-N 2 1 368.606 3.372 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@H](CCO)CC1)CC[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421015974 500554705 /nfs/dbraw/zinc/55/47/05/500554705.db2.gz LXURDWRTLCXYAB-DKUWSORSSA-N 2 1 368.606 3.372 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@H](CCO)CC1)CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421015974 500554707 /nfs/dbraw/zinc/55/47/07/500554707.db2.gz LXURDWRTLCXYAB-DKUWSORSSA-N 2 1 368.606 3.372 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000432797206 500565364 /nfs/dbraw/zinc/56/53/64/500565364.db2.gz KLZZBVKGGHQWQR-BHIFYINESA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000432797206 500565366 /nfs/dbraw/zinc/56/53/66/500565366.db2.gz KLZZBVKGGHQWQR-BHIFYINESA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000432797206 500565368 /nfs/dbraw/zinc/56/53/68/500565368.db2.gz KLZZBVKGGHQWQR-BHIFYINESA-N 2 1 369.553 3.135 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)c2C)cc1 ZINC000432800885 500565859 /nfs/dbraw/zinc/56/58/59/500565859.db2.gz RQNVPBQALVJTIH-HXUWFJFHSA-N 2 1 370.541 3.473 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)c2C)cc1 ZINC000432800885 500565860 /nfs/dbraw/zinc/56/58/60/500565860.db2.gz RQNVPBQALVJTIH-HXUWFJFHSA-N 2 1 370.541 3.473 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000437092053 500601407 /nfs/dbraw/zinc/60/14/07/500601407.db2.gz YPHWWENMHOCMFY-DYXWJJEUSA-N 2 1 359.558 3.022 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CCCO1 ZINC000433021954 500608042 /nfs/dbraw/zinc/60/80/42/500608042.db2.gz SHKZNMSXBIQCLE-KRWDZBQOSA-N 2 1 362.514 3.232 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)cc2)CC1 ZINC000442720239 500614154 /nfs/dbraw/zinc/61/41/54/500614154.db2.gz SUGGKYGNOZDCMA-HXUWFJFHSA-N 2 1 374.532 3.172 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442864312 500636373 /nfs/dbraw/zinc/63/63/73/500636373.db2.gz CMFRJUFMZHRXRR-OAHLLOKOSA-N 2 1 373.570 3.190 20 0 FGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCC1 ZINC000433174224 500638903 /nfs/dbraw/zinc/63/89/03/500638903.db2.gz KKYWXRIIRXRLDI-UHFFFAOYSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1Br ZINC000442893272 500642505 /nfs/dbraw/zinc/64/25/05/500642505.db2.gz XJPURFLVSAXUBK-CYBMUJFWSA-N 2 1 372.326 3.265 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OCc1ccncc1 ZINC000442928525 500648450 /nfs/dbraw/zinc/64/84/50/500648450.db2.gz PPDAQOLJTQKBAA-KRWDZBQOSA-N 2 1 355.482 3.230 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442945899 500651505 /nfs/dbraw/zinc/65/15/05/500651505.db2.gz PJISTLPVOMSQBS-FYYLOGMGSA-N 2 1 369.553 3.137 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443057759 500670417 /nfs/dbraw/zinc/67/04/17/500670417.db2.gz LDENMZYTPDFOAW-LAUBAEHRSA-N 2 1 371.550 3.405 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1OC ZINC000443056181 500670623 /nfs/dbraw/zinc/67/06/23/500670623.db2.gz CEDYIKHCXZEVAS-AWEZNQCLSA-N 2 1 361.511 3.388 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058653 500670732 /nfs/dbraw/zinc/67/07/32/500670732.db2.gz KWOQZIGIDVLUKD-RXVVDRJESA-N 2 1 373.541 3.200 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055349 500670912 /nfs/dbraw/zinc/67/09/12/500670912.db2.gz BGLVOXFOMPGWBC-UTKZUKDTSA-N 2 1 371.550 3.323 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064952 500672397 /nfs/dbraw/zinc/67/23/97/500672397.db2.gz ZCJTZXWZRQBSIT-UNMCSNQZSA-N 2 1 365.521 3.147 20 0 FGADMP Cc1cc(NC[C@@](C)(O)C[NH+]2CCOCC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000433398734 500686813 /nfs/dbraw/zinc/68/68/13/500686813.db2.gz HDZBSJYQMXECGH-LJQANCHMSA-N 2 1 363.889 3.000 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000437994918 500725946 /nfs/dbraw/zinc/72/59/46/500725946.db2.gz CTTGASZMHAHIMO-XLIONFOSSA-N 2 1 369.513 3.059 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000437994918 500725949 /nfs/dbraw/zinc/72/59/49/500725949.db2.gz CTTGASZMHAHIMO-XLIONFOSSA-N 2 1 369.513 3.059 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438051474 500731551 /nfs/dbraw/zinc/73/15/51/500731551.db2.gz QWQWSTPOKCDBSC-SJLPKXTDSA-N 2 1 362.518 3.011 20 0 FGADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)s1 ZINC000443633955 500747299 /nfs/dbraw/zinc/74/72/99/500747299.db2.gz WRTPWSOEJDMQTN-HUUCEWRRSA-N 2 1 351.560 3.471 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000438186832 500751599 /nfs/dbraw/zinc/75/15/99/500751599.db2.gz GDLCJQCTASWONB-NQSCKRDGSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000438186832 500751601 /nfs/dbraw/zinc/75/16/01/500751601.db2.gz GDLCJQCTASWONB-NQSCKRDGSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H](CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716196 506215107 /nfs/dbraw/zinc/21/51/07/506215107.db2.gz BYMBNKVNYRBKNF-SVFBPWRDSA-N 2 1 371.569 3.429 20 0 FGADMP CN(CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)c1ccccc1 ZINC000444264741 500826272 /nfs/dbraw/zinc/82/62/72/500826272.db2.gz DQLPHMRILVDFIW-UHFFFAOYSA-N 2 1 372.601 3.251 20 0 FGADMP CN(CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000444264741 500826274 /nfs/dbraw/zinc/82/62/74/500826274.db2.gz DQLPHMRILVDFIW-UHFFFAOYSA-N 3 1 372.601 3.251 20 0 FGADMP CN(CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000444264741 500826275 /nfs/dbraw/zinc/82/62/75/500826275.db2.gz DQLPHMRILVDFIW-UHFFFAOYSA-N 3 1 372.601 3.251 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660294 506219258 /nfs/dbraw/zinc/21/92/58/506219258.db2.gz DVQKBLGEIRCFQL-KNKQGSTJSA-N 2 1 371.569 3.128 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]c1C ZINC000602573065 506220811 /nfs/dbraw/zinc/22/08/11/506220811.db2.gz XZQFMSVRNVVWKY-CYBMUJFWSA-N 2 1 352.438 3.455 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000444622858 500868486 /nfs/dbraw/zinc/86/84/86/500868486.db2.gz IBLBHNGMUCDWII-QGZVFWFLSA-N 2 1 374.447 3.253 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000444622858 500868488 /nfs/dbraw/zinc/86/84/88/500868488.db2.gz IBLBHNGMUCDWII-QGZVFWFLSA-N 2 1 374.447 3.253 20 0 FGADMP COc1cccc2c(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cccc12 ZINC000449036096 500907552 /nfs/dbraw/zinc/90/75/52/500907552.db2.gz ITDSQXBZDHQPNQ-GCJKJVERSA-N 2 1 367.537 3.306 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038740 500908265 /nfs/dbraw/zinc/90/82/65/500908265.db2.gz WXPUXHDZJWHHBE-KRWDZBQOSA-N 2 1 356.489 3.390 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038740 500908271 /nfs/dbraw/zinc/90/82/71/500908271.db2.gz WXPUXHDZJWHHBE-KRWDZBQOSA-N 2 1 356.489 3.390 20 0 FGADMP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038740 500908273 /nfs/dbraw/zinc/90/82/73/500908273.db2.gz WXPUXHDZJWHHBE-KRWDZBQOSA-N 2 1 356.489 3.390 20 0 FGADMP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038740 500908277 /nfs/dbraw/zinc/90/82/77/500908277.db2.gz WXPUXHDZJWHHBE-KRWDZBQOSA-N 2 1 356.489 3.390 20 0 FGADMP CC(C)C[N@H+]1CCO[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058826 500913562 /nfs/dbraw/zinc/91/35/62/500913562.db2.gz MHFGMWSDTDRNMP-REWPJTCUSA-N 2 1 373.585 3.028 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000449075282 500918805 /nfs/dbraw/zinc/91/88/05/500918805.db2.gz MOKSOGCPSSOWHV-DYESRHJHSA-N 2 1 352.526 3.483 20 0 FGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084826 500921273 /nfs/dbraw/zinc/92/12/73/500921273.db2.gz ZBCPPLCGVDBKON-CALCHBBNSA-N 2 1 355.530 3.374 20 0 FGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000449084826 500921275 /nfs/dbraw/zinc/92/12/75/500921275.db2.gz ZBCPPLCGVDBKON-CALCHBBNSA-N 2 1 355.530 3.374 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145484 500934674 /nfs/dbraw/zinc/93/46/74/500934674.db2.gz LKQHEMSJLBPTMY-RTWAWAEBSA-N 2 1 357.542 3.442 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000435125879 500936300 /nfs/dbraw/zinc/93/63/00/500936300.db2.gz HJFCTQITBYHZPA-UHFFFAOYSA-N 2 1 360.502 3.240 20 0 FGADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847039 500945434 /nfs/dbraw/zinc/94/54/34/500945434.db2.gz SISBNTALZYJUKZ-UWJYYQICSA-N 2 1 371.525 3.425 20 0 FGADMP C[C@@H](c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847039 500945435 /nfs/dbraw/zinc/94/54/35/500945435.db2.gz SISBNTALZYJUKZ-UWJYYQICSA-N 2 1 371.525 3.425 20 0 FGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435297147 500952776 /nfs/dbraw/zinc/95/27/76/500952776.db2.gz HBSFDTTYMMWEJA-FQEVSTJZSA-N 2 1 371.504 3.197 20 0 FGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000435297147 500952779 /nfs/dbraw/zinc/95/27/79/500952779.db2.gz HBSFDTTYMMWEJA-FQEVSTJZSA-N 2 1 371.504 3.197 20 0 FGADMP COc1cccc(Sc2ccccc2C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000449244427 500955655 /nfs/dbraw/zinc/95/56/55/500955655.db2.gz SJQPXYCAUZSAQQ-FQEVSTJZSA-N 2 1 358.507 3.003 20 0 FGADMP COc1cccc(Sc2ccccc2C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000449244427 500955658 /nfs/dbraw/zinc/95/56/58/500955658.db2.gz SJQPXYCAUZSAQQ-FQEVSTJZSA-N 2 1 358.507 3.003 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000435375286 500962129 /nfs/dbraw/zinc/96/21/29/500962129.db2.gz LMKWSTPALKHAEV-DOTOQJQBSA-N 2 1 356.514 3.483 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)cc1 ZINC000435379802 500963542 /nfs/dbraw/zinc/96/35/42/500963542.db2.gz NNTYZXGIDJXNMW-WMQCIHAUSA-N 2 1 365.477 3.117 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449283369 500965801 /nfs/dbraw/zinc/96/58/01/500965801.db2.gz LMOLOPMQHQPPQT-SFTDATJTSA-N 2 1 373.585 3.173 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435387030 500965861 /nfs/dbraw/zinc/96/58/61/500965861.db2.gz WKCDPZPPVMIYGQ-QSFXBCCZSA-N 2 1 358.917 3.371 20 0 FGADMP c1cnn(-c2ccc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2)c1 ZINC000435393124 500967562 /nfs/dbraw/zinc/96/75/62/500967562.db2.gz ZDMJLOBTGBUYFL-OAQYLSRUSA-N 2 1 361.493 3.412 20 0 FGADMP c1cnn(-c2ccc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2)c1 ZINC000435393124 500967564 /nfs/dbraw/zinc/96/75/64/500967564.db2.gz ZDMJLOBTGBUYFL-OAQYLSRUSA-N 2 1 361.493 3.412 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435626797 501004809 /nfs/dbraw/zinc/00/48/09/501004809.db2.gz LKUHSDOJTOECGT-IEBWSBKVSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435626797 501004811 /nfs/dbraw/zinc/00/48/11/501004811.db2.gz LKUHSDOJTOECGT-IEBWSBKVSA-N 2 1 353.510 3.481 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435699423 501014370 /nfs/dbraw/zinc/01/43/70/501014370.db2.gz ZTAVFLAPXFOMEJ-GOSISDBHSA-N 2 1 355.507 3.331 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435699423 501014375 /nfs/dbraw/zinc/01/43/75/501014375.db2.gz ZTAVFLAPXFOMEJ-GOSISDBHSA-N 2 1 355.507 3.331 20 0 FGADMP OC[C@@H]([C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1)C1CC1 ZINC000449514052 501022886 /nfs/dbraw/zinc/02/28/86/501022886.db2.gz XLAUIOJJKJBGHU-FGZHOGPDSA-N 2 1 360.517 3.219 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C)C(C)C ZINC000440799200 501049682 /nfs/dbraw/zinc/04/96/82/501049682.db2.gz JTOOMBYFAKHQCM-FQEVSTJZSA-N 2 1 371.529 3.271 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@]3(CCOC3)C2)CC1 ZINC000449681990 501061633 /nfs/dbraw/zinc/06/16/33/501061633.db2.gz FOFMGLURMKCNJK-JOCHJYFZSA-N 2 1 357.542 3.221 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000449781600 501084858 /nfs/dbraw/zinc/08/48/58/501084858.db2.gz ISQDUEZXODJSPD-CTNGQTDRSA-N 2 1 357.542 3.074 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4c(cccc4F)[nH]3)cc2)CC1 ZINC000436273214 501099327 /nfs/dbraw/zinc/09/93/27/501099327.db2.gz ISUIHZPSIGNFTI-UHFFFAOYSA-N 2 1 366.484 3.344 20 0 FGADMP C[N@H+](CCc1cccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1)C1CC1 ZINC000450402999 501113241 /nfs/dbraw/zinc/11/32/41/501113241.db2.gz KCKYAZSXZOKLBV-UHFFFAOYSA-N 2 1 361.449 3.156 20 0 FGADMP C[N@@H+](CCc1cccc(NC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1)C1CC1 ZINC000450402999 501113246 /nfs/dbraw/zinc/11/32/46/501113246.db2.gz KCKYAZSXZOKLBV-UHFFFAOYSA-N 2 1 361.449 3.156 20 0 FGADMP C[C@@H](c1ccc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1)C(F)(F)F ZINC000450410363 501114519 /nfs/dbraw/zinc/11/45/19/501114519.db2.gz YTBQGSRGLUHWSK-AWEZNQCLSA-N 2 1 352.404 3.393 20 0 FGADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1Oc1cccnc1 ZINC000441329741 501121367 /nfs/dbraw/zinc/12/13/67/501121367.db2.gz DFCFEHKBIYGVQW-UHFFFAOYSA-N 2 1 368.525 3.298 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448178 501140967 /nfs/dbraw/zinc/14/09/67/501140967.db2.gz KLEWMRYFXYJZSN-LEWJYISDSA-N 2 1 360.542 3.159 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448178 501140972 /nfs/dbraw/zinc/14/09/72/501140972.db2.gz KLEWMRYFXYJZSN-LEWJYISDSA-N 2 1 360.542 3.159 20 0 FGADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640438 501173283 /nfs/dbraw/zinc/17/32/83/501173283.db2.gz MDPJSPKMELDCSK-GCJKJVERSA-N 2 1 353.510 3.394 20 0 FGADMP CCn1ccnc1[C@@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000453062462 501261157 /nfs/dbraw/zinc/26/11/57/501261157.db2.gz MPSNRNGHTAZDGJ-HXUWFJFHSA-N 2 1 369.557 3.152 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453064638 501261597 /nfs/dbraw/zinc/26/15/97/501261597.db2.gz UDYCIVDWZLNCQB-LJQANCHMSA-N 2 1 369.557 3.155 20 0 FGADMP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453098666 501268313 /nfs/dbraw/zinc/26/83/13/501268313.db2.gz VOAPIFZKWREIID-PWRODBHTSA-N 2 1 355.526 3.032 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110746 501270795 /nfs/dbraw/zinc/27/07/95/501270795.db2.gz OIMCPZDARSPLHT-FCHUYYIVSA-N 2 1 369.553 3.442 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119896 501272861 /nfs/dbraw/zinc/27/28/61/501272861.db2.gz JPSVQRUMAIEFFN-UPVQGACJSA-N 2 1 364.533 3.407 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119896 501272862 /nfs/dbraw/zinc/27/28/62/501272862.db2.gz JPSVQRUMAIEFFN-UPVQGACJSA-N 2 1 364.533 3.407 20 0 FGADMP CN(C)c1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453167456 501282996 /nfs/dbraw/zinc/28/29/96/501282996.db2.gz RPUXVDFAFJUAEI-NJYVYQBISA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453167456 501282998 /nfs/dbraw/zinc/28/29/98/501282998.db2.gz RPUXVDFAFJUAEI-NJYVYQBISA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453167456 501283001 /nfs/dbraw/zinc/28/30/01/501283001.db2.gz RPUXVDFAFJUAEI-NJYVYQBISA-N 2 1 365.525 3.075 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000453274773 501305550 /nfs/dbraw/zinc/30/55/50/501305550.db2.gz DHBGFEFGEANFGI-BURNTYAHSA-N 2 1 357.542 3.275 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453287831 501309088 /nfs/dbraw/zinc/30/90/88/501309088.db2.gz OPVYVFPJKFRCQT-GOEBONIOSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453287831 501309091 /nfs/dbraw/zinc/30/90/91/501309091.db2.gz OPVYVFPJKFRCQT-GOEBONIOSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H](C)C1 ZINC000453361090 501320527 /nfs/dbraw/zinc/32/05/27/501320527.db2.gz QGTGXOKUTMKJAM-PBASOCQRSA-N 2 1 361.530 3.028 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000453385042 501323078 /nfs/dbraw/zinc/32/30/78/501323078.db2.gz DBCPRSWBQREMPY-HZEGPAAWSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2nccn2C)C1 ZINC000453385042 501323082 /nfs/dbraw/zinc/32/30/82/501323082.db2.gz DBCPRSWBQREMPY-HZEGPAAWSA-N 2 1 368.525 3.140 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cn2ccc(Br)cc2n1)C1CC1 ZINC000453596426 501357302 /nfs/dbraw/zinc/35/73/02/501357302.db2.gz LEGZDKPQNDETAE-UHFFFAOYSA-N 2 1 351.292 3.061 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681550 501363852 /nfs/dbraw/zinc/36/38/52/501363852.db2.gz PTXIALATWCUZBQ-LJQANCHMSA-N 2 1 373.545 3.229 20 0 FGADMP CC1(C)C[C@H](O)CC[NH+](CCCCC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451816920 501378510 /nfs/dbraw/zinc/37/85/10/501378510.db2.gz YNYIRGGGUUWKMF-RTBURBONSA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc21 ZINC000455864515 501402407 /nfs/dbraw/zinc/40/24/07/501402407.db2.gz SYYXJAJUFQVAGU-FPOVZHCZSA-N 2 1 356.514 3.185 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492317 506252696 /nfs/dbraw/zinc/25/26/96/506252696.db2.gz KRDWRWPOICLSSM-MXEMCNAFSA-N 2 1 358.526 3.386 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492317 506252702 /nfs/dbraw/zinc/25/27/02/506252702.db2.gz KRDWRWPOICLSSM-MXEMCNAFSA-N 2 1 358.526 3.386 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000456177243 501470005 /nfs/dbraw/zinc/47/00/05/501470005.db2.gz XQYHKPOAERNZMG-UHFFFAOYSA-N 2 1 365.428 3.055 20 0 FGADMP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456333550 501501050 /nfs/dbraw/zinc/50/10/50/501501050.db2.gz LQUXPVTUQPESDY-LJQANCHMSA-N 2 1 365.521 3.342 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458836896 501541085 /nfs/dbraw/zinc/54/10/85/501541085.db2.gz BNJAAOJYCGNHCZ-GOSISDBHSA-N 2 1 361.534 3.058 20 0 FGADMP C[C@@H]1CN(c2ccccc2CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348705 501636572 /nfs/dbraw/zinc/63/65/72/501636572.db2.gz WUKJNDXWQXIVQI-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348705 501636574 /nfs/dbraw/zinc/63/65/74/501636574.db2.gz WUKJNDXWQXIVQI-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348705 501636575 /nfs/dbraw/zinc/63/65/75/501636575.db2.gz WUKJNDXWQXIVQI-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000459348705 501636576 /nfs/dbraw/zinc/63/65/76/501636576.db2.gz WUKJNDXWQXIVQI-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348705 501636577 /nfs/dbraw/zinc/63/65/77/501636577.db2.gz WUKJNDXWQXIVQI-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP C[N@H+](CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000457173955 501661676 /nfs/dbraw/zinc/66/16/76/501661676.db2.gz VWXOZZKXVOFHRD-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000457173955 501661679 /nfs/dbraw/zinc/66/16/79/501661679.db2.gz VWXOZZKXVOFHRD-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccncc1 ZINC000459723807 501704404 /nfs/dbraw/zinc/70/44/04/501704404.db2.gz CXDUUZBHPUVHAE-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)cnc12 ZINC000459775991 501712481 /nfs/dbraw/zinc/71/24/81/501712481.db2.gz JTIRNBWZJVXCGW-CQSZACIVSA-N 2 1 365.319 3.227 20 0 FGADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1O ZINC000459791712 501714782 /nfs/dbraw/zinc/71/47/82/501714782.db2.gz RPMCUKNIRBYAAA-ZDUSSCGKSA-N 2 1 371.319 3.375 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611718123 506271439 /nfs/dbraw/zinc/27/14/39/506271439.db2.gz XEFVOUHGPFWGMK-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000485262702 501772886 /nfs/dbraw/zinc/77/28/86/501772886.db2.gz UQIHBUSSOGDTGP-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(n2c(C)nc3ccccc32)CC1 ZINC000474289448 501776881 /nfs/dbraw/zinc/77/68/81/501776881.db2.gz AXHDHWOGRRNVEB-INIZCTEOSA-N 2 1 371.529 3.422 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1I ZINC000467388544 501784094 /nfs/dbraw/zinc/78/40/94/501784094.db2.gz LWVXYWJAVGJSNH-TZMCWYRMSA-N 2 1 358.267 3.172 20 0 FGADMP C[C@H](CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000474309977 501785727 /nfs/dbraw/zinc/78/57/27/501785727.db2.gz ONNQOIIJHHVJEU-GOSISDBHSA-N 2 1 365.521 3.015 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322920 501789975 /nfs/dbraw/zinc/78/99/75/501789975.db2.gz HMJPXTNUZMUSJK-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322920 501789981 /nfs/dbraw/zinc/78/99/81/501789981.db2.gz HMJPXTNUZMUSJK-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375083 501807318 /nfs/dbraw/zinc/80/73/18/501807318.db2.gz KCOSFPBKDFUGQG-SFTDATJTSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375083 501807323 /nfs/dbraw/zinc/80/73/23/501807323.db2.gz KCOSFPBKDFUGQG-SFTDATJTSA-N 2 1 369.484 3.382 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@H+](C)C(C)C)c2C)cc1 ZINC000463751366 501812458 /nfs/dbraw/zinc/81/24/58/501812458.db2.gz UVMHBWOFUFXWGI-UHFFFAOYSA-N 2 1 358.530 3.377 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[N@@H+](C)C(C)C)c2C)cc1 ZINC000463751366 501812459 /nfs/dbraw/zinc/81/24/59/501812459.db2.gz UVMHBWOFUFXWGI-UHFFFAOYSA-N 2 1 358.530 3.377 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000477903547 501824407 /nfs/dbraw/zinc/82/44/07/501824407.db2.gz CWTNMKFHTOGSMJ-RXVVDRJESA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743218 501858338 /nfs/dbraw/zinc/85/83/38/501858338.db2.gz JDWSYIJTIQSPSK-RYUDHWBXSA-N 2 1 351.438 3.049 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042039 501863874 /nfs/dbraw/zinc/86/38/74/501863874.db2.gz PJQLHGFVYKUPBO-QUCCMNQESA-N 2 1 362.558 3.388 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042039 501863879 /nfs/dbraw/zinc/86/38/79/501863879.db2.gz PJQLHGFVYKUPBO-QUCCMNQESA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042039 501863882 /nfs/dbraw/zinc/86/38/82/501863882.db2.gz PJQLHGFVYKUPBO-QUCCMNQESA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042039 501863885 /nfs/dbraw/zinc/86/38/85/501863885.db2.gz PJQLHGFVYKUPBO-QUCCMNQESA-N 2 1 362.558 3.388 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474557221 501876202 /nfs/dbraw/zinc/87/62/02/501876202.db2.gz NBDBPEGKFWYPPB-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474557221 501876212 /nfs/dbraw/zinc/87/62/12/501876212.db2.gz NBDBPEGKFWYPPB-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474557221 501876217 /nfs/dbraw/zinc/87/62/17/501876217.db2.gz NBDBPEGKFWYPPB-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474557221 501876224 /nfs/dbraw/zinc/87/62/24/501876224.db2.gz NBDBPEGKFWYPPB-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980383 501881429 /nfs/dbraw/zinc/88/14/29/501881429.db2.gz XYUTXHSTCPKDMJ-KNQAVFIVSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980383 501881435 /nfs/dbraw/zinc/88/14/35/501881435.db2.gz XYUTXHSTCPKDMJ-KNQAVFIVSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980383 501881438 /nfs/dbraw/zinc/88/14/38/501881438.db2.gz XYUTXHSTCPKDMJ-KNQAVFIVSA-N 2 1 369.553 3.234 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460659754 501887974 /nfs/dbraw/zinc/88/79/74/501887974.db2.gz XQDUFRQYZIHUKV-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460659754 501887977 /nfs/dbraw/zinc/88/79/77/501887977.db2.gz XQDUFRQYZIHUKV-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460659754 501887984 /nfs/dbraw/zinc/88/79/84/501887984.db2.gz XQDUFRQYZIHUKV-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474599107 501889086 /nfs/dbraw/zinc/88/90/86/501889086.db2.gz MRUIJTFRUOSONF-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474599107 501889090 /nfs/dbraw/zinc/88/90/90/501889090.db2.gz MRUIJTFRUOSONF-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000468014049 501929181 /nfs/dbraw/zinc/92/91/81/501929181.db2.gz NIJTXJJOMZCMOR-NSHGMRRFSA-N 2 1 373.541 3.211 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007430 501945150 /nfs/dbraw/zinc/94/51/50/501945150.db2.gz PHZNYNFTCOXFCG-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007430 501945152 /nfs/dbraw/zinc/94/51/52/501945152.db2.gz PHZNYNFTCOXFCG-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccc(F)cc1 ZINC000482007430 501945154 /nfs/dbraw/zinc/94/51/54/501945154.db2.gz PHZNYNFTCOXFCG-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)c1ccccc1 ZINC000482080340 501968915 /nfs/dbraw/zinc/96/89/15/501968915.db2.gz JNWVZQMVWHUGDA-QMMLZNLJSA-N 2 1 357.542 3.497 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000482146899 501988747 /nfs/dbraw/zinc/98/87/47/501988747.db2.gz PXKALRSFMWJNAP-BZSNNMDCSA-N 2 1 363.550 3.281 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000482147949 501989994 /nfs/dbraw/zinc/98/99/94/501989994.db2.gz SBFVFLSRBDHMDU-YOEHRIQHSA-N 2 1 353.457 3.394 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756661 506286651 /nfs/dbraw/zinc/28/66/51/506286651.db2.gz BFGYTZVPTFWKCQ-IFMALSPDSA-N 2 1 369.553 3.056 20 0 FGADMP CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000471372734 502002471 /nfs/dbraw/zinc/00/24/71/502002471.db2.gz HZUZPHOJQQLEFF-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP COCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cc(Br)ccc1F ZINC000482235269 502015230 /nfs/dbraw/zinc/01/52/30/502015230.db2.gz PTDIBYVDSLGXJH-JSGCOSHPSA-N 2 1 359.283 3.350 20 0 FGADMP COCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cc(Br)ccc1F ZINC000482235269 502015234 /nfs/dbraw/zinc/01/52/34/502015234.db2.gz PTDIBYVDSLGXJH-JSGCOSHPSA-N 2 1 359.283 3.350 20 0 FGADMP C[NH+](C)CCN(C(=O)NCCC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000468321132 502023552 /nfs/dbraw/zinc/02/35/52/502023552.db2.gz RBOOLCKWXJEUJQ-UHFFFAOYSA-N 2 1 352.567 3.157 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000461245613 502050105 /nfs/dbraw/zinc/05/01/05/502050105.db2.gz UHDLAYSMFQBYOK-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP Cc1cccc([C@@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141659 502077533 /nfs/dbraw/zinc/07/75/33/502077533.db2.gz VRHOBGDYRAEYKL-FGZHOGPDSA-N 2 1 365.521 3.203 20 0 FGADMP CC(C)[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468510976 502086420 /nfs/dbraw/zinc/08/64/20/502086420.db2.gz JSMYJBXIZBMTKS-NHCUHLMSSA-N 2 1 373.541 3.262 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394892 502092189 /nfs/dbraw/zinc/09/21/89/502092189.db2.gz QMWWXYOCOMRTDM-MSOLQXFVSA-N 2 1 358.530 3.161 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000468532959 502094553 /nfs/dbraw/zinc/09/45/53/502094553.db2.gz RPYRYDVBDOAUOQ-AZUAARDMSA-N 2 1 360.546 3.195 20 0 FGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000475344318 502143119 /nfs/dbraw/zinc/14/31/19/502143119.db2.gz VXSLWWBYHBVKPQ-SZPZYZBQSA-N 2 1 373.504 3.140 20 0 FGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000475344318 502143126 /nfs/dbraw/zinc/14/31/26/502143126.db2.gz VXSLWWBYHBVKPQ-SZPZYZBQSA-N 2 1 373.504 3.140 20 0 FGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)ccc1-n1cncn1 ZINC000475344318 502143133 /nfs/dbraw/zinc/14/31/33/502143133.db2.gz VXSLWWBYHBVKPQ-SZPZYZBQSA-N 2 1 373.504 3.140 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468749595 502169967 /nfs/dbraw/zinc/16/99/67/502169967.db2.gz NNUKJOXJVPCLQM-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCc1csc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000465053278 502181292 /nfs/dbraw/zinc/18/12/92/502181292.db2.gz QQDQFFGKJZOGLP-UHFFFAOYSA-N 2 1 350.576 3.338 20 0 FGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)N3Cc4ccccc4C3)CC2)C1 ZINC000475504959 502194064 /nfs/dbraw/zinc/19/40/64/502194064.db2.gz QSRKGCCNFYABNC-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)N3Cc4ccccc4C3)CC2)C1 ZINC000475504957 502194581 /nfs/dbraw/zinc/19/45/81/502194581.db2.gz QSRKGCCNFYABNC-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc2ccccc21 ZINC000482889047 502207911 /nfs/dbraw/zinc/20/79/11/502207911.db2.gz STQKSOIUZYIZJX-QGZVFWFLSA-N 2 1 353.510 3.433 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000482886045 502207963 /nfs/dbraw/zinc/20/79/63/502207963.db2.gz IGFWEWCGHSJLFY-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216814 502216988 /nfs/dbraw/zinc/21/69/88/502216988.db2.gz VYSAPOWRKDGDGM-ICSRJNTNSA-N 2 1 366.594 3.164 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc4ccc(F)cc4[nH]3)cc2)CC1 ZINC000486677306 502227932 /nfs/dbraw/zinc/22/79/32/502227932.db2.gz PDZFMNZOIQMARN-UHFFFAOYSA-N 2 1 366.484 3.344 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000475615485 502228461 /nfs/dbraw/zinc/22/84/61/502228461.db2.gz LDENWAJRAIXOLH-UHFFFAOYSA-N 2 1 367.371 3.311 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000468959114 502243188 /nfs/dbraw/zinc/24/31/88/502243188.db2.gz JMCOKQNEKDSEPH-SQNIBIBYSA-N 2 1 361.530 3.186 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000468959114 502243191 /nfs/dbraw/zinc/24/31/91/502243191.db2.gz JMCOKQNEKDSEPH-SQNIBIBYSA-N 2 1 361.530 3.186 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000582575604 506303355 /nfs/dbraw/zinc/30/33/55/506303355.db2.gz YYVIFXDBFZCMTJ-ILWGZMRPSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000582575604 506303363 /nfs/dbraw/zinc/30/33/63/506303363.db2.gz YYVIFXDBFZCMTJ-ILWGZMRPSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582575604 506303368 /nfs/dbraw/zinc/30/33/68/506303368.db2.gz YYVIFXDBFZCMTJ-ILWGZMRPSA-N 2 1 369.553 3.087 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462004462 502270549 /nfs/dbraw/zinc/27/05/49/502270549.db2.gz CZXAVGGQRVWCGM-WOJBJXKFSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582575604 506303373 /nfs/dbraw/zinc/30/33/73/506303373.db2.gz YYVIFXDBFZCMTJ-ILWGZMRPSA-N 2 1 369.553 3.087 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230592 502278327 /nfs/dbraw/zinc/27/83/27/502278327.db2.gz GQSBFJVLEIDADJ-APWZRJJASA-N 2 1 361.917 3.109 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000469064478 502283554 /nfs/dbraw/zinc/28/35/54/502283554.db2.gz SNLBQGVDEFQZJT-UHFFFAOYSA-N 2 1 365.428 3.057 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144582 502289056 /nfs/dbraw/zinc/28/90/56/502289056.db2.gz RSUNUXFSWKDHLA-CPUCHLNUSA-N 2 1 357.420 3.094 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144582 502289059 /nfs/dbraw/zinc/28/90/59/502289059.db2.gz RSUNUXFSWKDHLA-CPUCHLNUSA-N 2 1 357.420 3.094 20 0 FGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000479537775 502289432 /nfs/dbraw/zinc/28/94/32/502289432.db2.gz AMNGZBVMGSQJRM-FTWXPCQCSA-N 2 1 357.542 3.055 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000472281085 502297048 /nfs/dbraw/zinc/29/70/48/502297048.db2.gz XBRHYGQOINFNQT-GOSISDBHSA-N 2 1 374.481 3.152 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000483221821 502317696 /nfs/dbraw/zinc/31/76/96/502317696.db2.gz RXOWFFSVLKTWHZ-INIZCTEOSA-N 2 1 357.420 3.186 20 0 FGADMP CN(C)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351540 502326822 /nfs/dbraw/zinc/32/68/22/502326822.db2.gz SWRCIVZITVWYOX-IEBWSBKVSA-N 2 1 358.555 3.381 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475902878 502327222 /nfs/dbraw/zinc/32/72/22/502327222.db2.gz XFPUBIOKFHDENK-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C(C)C ZINC000465620080 502328429 /nfs/dbraw/zinc/32/84/29/502328429.db2.gz UNBZDUHOTRFQHG-NHCUHLMSSA-N 2 1 374.573 3.441 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037742 502337335 /nfs/dbraw/zinc/33/73/35/502337335.db2.gz ROLCXHWICBQVMV-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487037742 502337339 /nfs/dbraw/zinc/33/73/39/502337339.db2.gz ROLCXHWICBQVMV-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487037742 502337344 /nfs/dbraw/zinc/33/73/44/502337344.db2.gz ROLCXHWICBQVMV-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479698184 502348899 /nfs/dbraw/zinc/34/88/99/502348899.db2.gz CFAVDGLOQHMYPU-LJQANCHMSA-N 2 1 358.530 3.218 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465692839 502349214 /nfs/dbraw/zinc/34/92/14/502349214.db2.gz KKJVUXRQPXMTJE-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465692839 502349217 /nfs/dbraw/zinc/34/92/17/502349217.db2.gz KKJVUXRQPXMTJE-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000469255217 502352258 /nfs/dbraw/zinc/35/22/58/502352258.db2.gz FEPDSQLBKNMWPO-CALCHBBNSA-N 2 1 352.482 3.240 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000472453707 502355505 /nfs/dbraw/zinc/35/55/05/502355505.db2.gz MUXGJZVJPQBOPY-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472467255 502361338 /nfs/dbraw/zinc/36/13/38/502361338.db2.gz YDCFWTOJQUJJLK-MOPGFXCFSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451384 502396909 /nfs/dbraw/zinc/39/69/09/502396909.db2.gz CPDMWYAHERJMJB-ANQUJSFKSA-N 2 1 374.447 3.055 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837346 502399392 /nfs/dbraw/zinc/39/93/92/502399392.db2.gz OHPWWIQYAHWODI-AEFFLSMTSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837346 502399396 /nfs/dbraw/zinc/39/93/96/502399396.db2.gz OHPWWIQYAHWODI-AEFFLSMTSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837346 502399401 /nfs/dbraw/zinc/39/94/01/502399401.db2.gz OHPWWIQYAHWODI-AEFFLSMTSA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000469433665 502415627 /nfs/dbraw/zinc/41/56/27/502415627.db2.gz HAFBNRAVDWZWBP-RXVVDRJESA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000469433665 502415634 /nfs/dbraw/zinc/41/56/34/502415634.db2.gz HAFBNRAVDWZWBP-RXVVDRJESA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000469433665 502415640 /nfs/dbraw/zinc/41/56/40/502415640.db2.gz HAFBNRAVDWZWBP-RXVVDRJESA-N 2 1 372.557 3.093 20 0 FGADMP CCC(C)(C)NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483511976 502416095 /nfs/dbraw/zinc/41/60/95/502416095.db2.gz KOCFQNOAXIPPGU-UXHICEINSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950161 502438028 /nfs/dbraw/zinc/43/80/28/502438028.db2.gz MBCBGCFRYRHKOY-PZJWPPBQSA-N 2 1 374.573 3.156 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953365 502439372 /nfs/dbraw/zinc/43/93/72/502439372.db2.gz ADUGBGYKXUIIEX-PZJWPPBQSA-N 2 1 374.573 3.156 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000466030877 502459089 /nfs/dbraw/zinc/45/90/89/502459089.db2.gz DESPVTYPXONRSX-JYRKZWEQSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000466030877 502459092 /nfs/dbraw/zinc/45/90/92/502459092.db2.gz DESPVTYPXONRSX-JYRKZWEQSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000466030877 502459096 /nfs/dbraw/zinc/45/90/96/502459096.db2.gz DESPVTYPXONRSX-JYRKZWEQSA-N 2 1 372.557 3.164 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000466041097 502464351 /nfs/dbraw/zinc/46/43/51/502464351.db2.gz WCLCCOBXBDDQDV-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466041097 502464355 /nfs/dbraw/zinc/46/43/55/502464355.db2.gz WCLCCOBXBDDQDV-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466041097 502464358 /nfs/dbraw/zinc/46/43/58/502464358.db2.gz WCLCCOBXBDDQDV-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000483698691 502467483 /nfs/dbraw/zinc/46/74/83/502467483.db2.gz PAABYPPERWTEFO-OAQYLSRUSA-N 2 1 357.542 3.202 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000466096068 502477053 /nfs/dbraw/zinc/47/70/53/502477053.db2.gz QOPGMXDRJKJSDV-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000462532466 502478350 /nfs/dbraw/zinc/47/83/50/502478350.db2.gz DYKTVLIPDJBPDP-LRDDRELGSA-N 2 1 353.304 3.204 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H](C)C1 ZINC000462532466 502478356 /nfs/dbraw/zinc/47/83/56/502478356.db2.gz DYKTVLIPDJBPDP-LRDDRELGSA-N 2 1 353.304 3.204 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018818 502500906 /nfs/dbraw/zinc/50/09/06/502500906.db2.gz DPCJSDQRYOFLIB-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000473018818 502500909 /nfs/dbraw/zinc/50/09/09/502500909.db2.gz DPCJSDQRYOFLIB-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000473018818 502500912 /nfs/dbraw/zinc/50/09/12/502500912.db2.gz DPCJSDQRYOFLIB-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1)C(C)C ZINC000480368520 502548965 /nfs/dbraw/zinc/54/89/65/502548965.db2.gz ZNDHAMVSSCJIFM-FQEVSTJZSA-N 2 1 363.571 3.084 20 0 FGADMP CCCOc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000469833253 502561048 /nfs/dbraw/zinc/56/10/48/502561048.db2.gz XSVFLOQAAZODNQ-UHFFFAOYSA-N 2 1 371.319 3.417 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000473298287 502562181 /nfs/dbraw/zinc/56/21/81/502562181.db2.gz DEOZSDCAEBAZRA-WMZOPIPTSA-N 2 1 351.560 3.243 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790803 502574992 /nfs/dbraw/zinc/57/49/92/502574992.db2.gz IYJYTVXHBFJIFE-AQNXPRMDSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790803 502574996 /nfs/dbraw/zinc/57/49/96/502574996.db2.gz IYJYTVXHBFJIFE-AQNXPRMDSA-N 2 1 374.525 3.325 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000469884059 502583196 /nfs/dbraw/zinc/58/31/96/502583196.db2.gz YHQCDOVDMVNNRR-NORZTCDRSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(OC)c1 ZINC000469884059 502583200 /nfs/dbraw/zinc/58/32/00/502583200.db2.gz YHQCDOVDMVNNRR-NORZTCDRSA-N 2 1 369.303 3.026 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785875 502585568 /nfs/dbraw/zinc/58/55/68/502585568.db2.gz BIVSGRWWPUUECI-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000476785875 502585579 /nfs/dbraw/zinc/58/55/79/502585579.db2.gz BIVSGRWWPUUECI-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476785875 502585584 /nfs/dbraw/zinc/58/55/84/502585584.db2.gz BIVSGRWWPUUECI-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476785875 502585588 /nfs/dbraw/zinc/58/55/88/502585588.db2.gz BIVSGRWWPUUECI-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000480504206 502586180 /nfs/dbraw/zinc/58/61/80/502586180.db2.gz HIRPJIXAEYYLSL-IBGZPJMESA-N 2 1 362.481 3.293 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000480504206 502586182 /nfs/dbraw/zinc/58/61/82/502586182.db2.gz HIRPJIXAEYYLSL-IBGZPJMESA-N 2 1 362.481 3.293 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553628 502601131 /nfs/dbraw/zinc/60/11/31/502601131.db2.gz KXLKSGMJWBUGFK-NHCUHLMSSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553628 502601138 /nfs/dbraw/zinc/60/11/38/502601138.db2.gz KXLKSGMJWBUGFK-NHCUHLMSSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553628 502601143 /nfs/dbraw/zinc/60/11/43/502601143.db2.gz KXLKSGMJWBUGFK-NHCUHLMSSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480613694 502621517 /nfs/dbraw/zinc/62/15/17/502621517.db2.gz PNAWQJXCRZWQKD-ONTIZHBOSA-N 2 1 359.558 3.303 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+](CC)CC)cc1 ZINC000476934479 502625190 /nfs/dbraw/zinc/62/51/90/502625190.db2.gz WVCSIAVDZQIQBQ-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654470 502633483 /nfs/dbraw/zinc/63/34/83/502633483.db2.gz SUDDGDKSFCAAGB-BAGYTPMASA-N 2 1 359.558 3.158 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000473674497 502674134 /nfs/dbraw/zinc/67/41/34/502674134.db2.gz IGYXIPHUZYGGCU-UHFFFAOYSA-N 2 1 358.530 3.273 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809841 502677411 /nfs/dbraw/zinc/67/74/11/502677411.db2.gz ZSBOWZJYEJLQFT-YLJYHZDGSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809841 502677416 /nfs/dbraw/zinc/67/74/16/502677416.db2.gz ZSBOWZJYEJLQFT-YLJYHZDGSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484668295 502702940 /nfs/dbraw/zinc/70/29/40/502702940.db2.gz GHRADWNPXYQEDR-NQIIRXRSSA-N 2 1 368.525 3.109 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477216177 502709957 /nfs/dbraw/zinc/70/99/57/502709957.db2.gz CFGZJGYJOHDSJG-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H](c1ccsc1)N1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000463173216 502711721 /nfs/dbraw/zinc/71/17/21/502711721.db2.gz SAWFFGPCABOVJM-QFBILLFUSA-N 2 1 361.555 3.360 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243762 502714214 /nfs/dbraw/zinc/71/42/14/502714214.db2.gz PJDPPGLAYVAELC-DAYGRLMNSA-N 2 1 371.447 3.484 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCO)CC[N@@H+]1Cc1ccccc1 ZINC000463193327 502716523 /nfs/dbraw/zinc/71/65/23/502716523.db2.gz RYXRPOVVTLLVNQ-RXVVDRJESA-N 2 1 354.494 3.200 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCCO)CC[N@H+]1Cc1ccccc1 ZINC000463193327 502716531 /nfs/dbraw/zinc/71/65/31/502716531.db2.gz RYXRPOVVTLLVNQ-RXVVDRJESA-N 2 1 354.494 3.200 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463204003 502718517 /nfs/dbraw/zinc/71/85/17/502718517.db2.gz HTVIDDGTQJMMKU-NRSPTQNISA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463204003 502718524 /nfs/dbraw/zinc/71/85/24/502718524.db2.gz HTVIDDGTQJMMKU-NRSPTQNISA-N 2 1 367.541 3.032 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000477266889 502724702 /nfs/dbraw/zinc/72/47/02/502724702.db2.gz PTNBYMUIJCBGQE-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022233 502730933 /nfs/dbraw/zinc/73/09/33/502730933.db2.gz JZDFOVDHQUBTRO-GHTZIAJQSA-N 2 1 354.494 3.373 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481047524 502740308 /nfs/dbraw/zinc/74/03/08/502740308.db2.gz AUKQSZANZKZVAT-AWEZNQCLSA-N 2 1 367.921 3.258 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000470352617 502746683 /nfs/dbraw/zinc/74/66/83/502746683.db2.gz GOXMRBRFMOCVMZ-VGOFRKELSA-N 2 1 363.505 3.415 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@H]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000481164816 502770044 /nfs/dbraw/zinc/77/00/44/502770044.db2.gz HYKXDIDUCZOMJZ-QEUPLWARSA-N 2 1 357.542 3.180 20 0 FGADMP CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+](C)C ZINC000467058441 502774676 /nfs/dbraw/zinc/77/46/76/502774676.db2.gz PYSAMMMQIVXKGU-OAHLLOKOSA-N 2 1 356.308 3.035 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474006775 502777129 /nfs/dbraw/zinc/77/71/29/502777129.db2.gz BZGSKCMSSFGCNS-KXTWHKPSSA-N 2 1 374.573 3.173 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474006775 502777131 /nfs/dbraw/zinc/77/71/31/502777131.db2.gz BZGSKCMSSFGCNS-KXTWHKPSSA-N 2 1 374.573 3.173 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474006775 502777134 /nfs/dbraw/zinc/77/71/34/502777134.db2.gz BZGSKCMSSFGCNS-KXTWHKPSSA-N 2 1 374.573 3.173 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000484983146 502792437 /nfs/dbraw/zinc/79/24/37/502792437.db2.gz AOPGJUSJIRSOSD-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000484983146 502792442 /nfs/dbraw/zinc/79/24/42/502792442.db2.gz AOPGJUSJIRSOSD-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504913186 502822300 /nfs/dbraw/zinc/82/23/00/502822300.db2.gz CEQPGIMXIGVPQX-GOSISDBHSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000513070147 502844292 /nfs/dbraw/zinc/84/42/92/502844292.db2.gz OJYDOEBUVKAGCA-QHAWAJNXSA-N 2 1 371.569 3.415 20 0 FGADMP C[C@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000513070147 502844296 /nfs/dbraw/zinc/84/42/96/502844296.db2.gz OJYDOEBUVKAGCA-QHAWAJNXSA-N 2 1 371.569 3.415 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000513070147 502844299 /nfs/dbraw/zinc/84/42/99/502844299.db2.gz OJYDOEBUVKAGCA-QHAWAJNXSA-N 2 1 371.569 3.415 20 0 FGADMP CN(C(=O)c1sccc1F)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000489148592 502887581 /nfs/dbraw/zinc/88/75/81/502887581.db2.gz PQGGAYQOFWLISQ-SJORKVTESA-N 2 1 367.534 3.296 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000496411287 502888224 /nfs/dbraw/zinc/88/82/24/502888224.db2.gz LQTZKWGNTBPIAS-AZUAARDMSA-N 2 1 373.541 3.165 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000496411287 502888226 /nfs/dbraw/zinc/88/82/26/502888226.db2.gz LQTZKWGNTBPIAS-AZUAARDMSA-N 2 1 373.541 3.165 20 0 FGADMP CC(C)Cc1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](C)C)cc1 ZINC000513381355 502920793 /nfs/dbraw/zinc/92/07/93/502920793.db2.gz AUROQCOXIHFVND-NRFANRHFSA-N 2 1 372.557 3.049 20 0 FGADMP CC(C)[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000489347939 502934433 /nfs/dbraw/zinc/93/44/33/502934433.db2.gz LEMSEGAGEDZVFG-HXUWFJFHSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccsc1 ZINC000501178285 502953402 /nfs/dbraw/zinc/95/34/02/502953402.db2.gz YGQPJXCQRUFMMD-OKZBNKHCSA-N 2 1 364.559 3.057 20 0 FGADMP CCN(CC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1Cl ZINC000497482276 502969253 /nfs/dbraw/zinc/96/92/53/502969253.db2.gz OREYMEQZQRQWMX-QGZVFWFLSA-N 2 1 363.933 3.295 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710547 502973409 /nfs/dbraw/zinc/97/34/09/502973409.db2.gz FINFHZIXKMGYJR-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000509710547 502973412 /nfs/dbraw/zinc/97/34/12/502973412.db2.gz FINFHZIXKMGYJR-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000509710547 502973416 /nfs/dbraw/zinc/97/34/16/502973416.db2.gz FINFHZIXKMGYJR-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731127 502974716 /nfs/dbraw/zinc/97/47/16/502974716.db2.gz HUNWJLXFGAHUFU-OAQYLSRUSA-N 2 1 353.510 3.328 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000497511595 502976446 /nfs/dbraw/zinc/97/64/46/502976446.db2.gz RDARHYVIWPZQGR-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000497511595 502976452 /nfs/dbraw/zinc/97/64/52/502976452.db2.gz RDARHYVIWPZQGR-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CCOc1cc(C[NH2+]CCC[NH+](CC)CC)cc(Br)c1O ZINC000497684089 503015155 /nfs/dbraw/zinc/01/51/55/503015155.db2.gz WFPKKVMJKMUYJX-UHFFFAOYSA-N 2 1 359.308 3.375 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501494163 503020375 /nfs/dbraw/zinc/02/03/75/503020375.db2.gz FUDRNCQQXDTVLB-SOLBZPMBSA-N 2 1 366.575 3.018 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OCCO ZINC000489795869 503037553 /nfs/dbraw/zinc/03/75/53/503037553.db2.gz KTWZETFQISVKTI-NJDAHSKKSA-N 2 1 360.542 3.054 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCCCC1 ZINC000513932032 503051511 /nfs/dbraw/zinc/05/15/11/503051511.db2.gz QVWANVPAMPZXFE-NRFANRHFSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000510169522 503063702 /nfs/dbraw/zinc/06/37/02/503063702.db2.gz MAXZHFFHKBBBSU-QZTJIDSGSA-N 2 1 354.494 3.334 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000510169522 503063707 /nfs/dbraw/zinc/06/37/07/503063707.db2.gz MAXZHFFHKBBBSU-QZTJIDSGSA-N 2 1 354.494 3.334 20 0 FGADMP CCN(C)[C@@H](C(=O)NCc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC000490156903 503119619 /nfs/dbraw/zinc/11/96/19/503119619.db2.gz XKYNNEGPNZDEAA-HXUWFJFHSA-N 2 1 354.498 3.237 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC12CCOCC2 ZINC000582666090 506354602 /nfs/dbraw/zinc/35/46/02/506354602.db2.gz IWUVLWIAFZZKSI-OAQYLSRUSA-N 2 1 366.505 3.453 20 0 FGADMP Cc1ccc2nc(CN3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)n2c1 ZINC000506475287 503122557 /nfs/dbraw/zinc/12/25/57/503122557.db2.gz UYWPQURVGDSYNQ-RTBURBONSA-N 2 1 368.525 3.089 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000498163785 503122641 /nfs/dbraw/zinc/12/26/41/503122641.db2.gz RYIKOZXDRMLLML-XLIONFOSSA-N 2 1 371.529 3.271 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506490894 503125387 /nfs/dbraw/zinc/12/53/87/503125387.db2.gz YNXQHRJRUCAXBS-MOPGFXCFSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506490894 503125394 /nfs/dbraw/zinc/12/53/94/503125394.db2.gz YNXQHRJRUCAXBS-MOPGFXCFSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506490894 503125397 /nfs/dbraw/zinc/12/53/97/503125397.db2.gz YNXQHRJRUCAXBS-MOPGFXCFSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506490894 503125403 /nfs/dbraw/zinc/12/54/03/503125403.db2.gz YNXQHRJRUCAXBS-MOPGFXCFSA-N 2 1 374.525 3.438 20 0 FGADMP Cc1[nH+]ccc(N2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1Cl ZINC000502012909 503126960 /nfs/dbraw/zinc/12/69/60/503126960.db2.gz FYLJWPPBKCQLOC-HUUCEWRRSA-N 2 1 367.921 3.138 20 0 FGADMP [NH3+][C@H](CC(F)F)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000498198172 503128759 /nfs/dbraw/zinc/12/87/59/503128759.db2.gz JXNLTNOLTHUMLS-QGZVFWFLSA-N 2 1 365.468 3.016 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000498220598 503133662 /nfs/dbraw/zinc/13/36/62/503133662.db2.gz BCDHYHIDIHLTKT-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000502170214 503155194 /nfs/dbraw/zinc/15/51/94/503155194.db2.gz QQQHXAOASZAJNZ-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000498379283 503174155 /nfs/dbraw/zinc/17/41/55/503174155.db2.gz YDHVWBBGBYHNJM-IBGZPJMESA-N 2 1 363.521 3.276 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000510778977 503191247 /nfs/dbraw/zinc/19/12/47/503191247.db2.gz BOTQZJJZZVZWFW-KSZLIROESA-N 2 1 357.542 3.201 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000510778977 503191250 /nfs/dbraw/zinc/19/12/50/503191250.db2.gz BOTQZJJZZVZWFW-KSZLIROESA-N 2 1 357.542 3.201 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000510778977 503191252 /nfs/dbraw/zinc/19/12/52/503191252.db2.gz BOTQZJJZZVZWFW-KSZLIROESA-N 2 1 357.542 3.201 20 0 FGADMP CCN(C(=O)[C@@H]1CCn2cncc2C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000490538140 503191422 /nfs/dbraw/zinc/19/14/22/503191422.db2.gz DPILYKYPHOSPNO-MISYRCLQSA-N 2 1 366.509 3.130 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000506927797 503196525 /nfs/dbraw/zinc/19/65/25/503196525.db2.gz BKYQRVBGAJVVBZ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927797 503196528 /nfs/dbraw/zinc/19/65/28/503196528.db2.gz BKYQRVBGAJVVBZ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000506927797 503196531 /nfs/dbraw/zinc/19/65/31/503196531.db2.gz BKYQRVBGAJVVBZ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP CCN(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000514896219 503221463 /nfs/dbraw/zinc/22/14/63/503221463.db2.gz KHEIEZGNGXLLBT-FGZHOGPDSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000514896219 503221467 /nfs/dbraw/zinc/22/14/67/503221467.db2.gz KHEIEZGNGXLLBT-FGZHOGPDSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000514896219 503221469 /nfs/dbraw/zinc/22/14/69/503221469.db2.gz KHEIEZGNGXLLBT-FGZHOGPDSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000514896219 503221472 /nfs/dbraw/zinc/22/14/72/503221472.db2.gz KHEIEZGNGXLLBT-FGZHOGPDSA-N 2 1 364.537 3.492 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000507054339 503221903 /nfs/dbraw/zinc/22/19/03/503221903.db2.gz RHYVXPAXAOSACI-OAQYLSRUSA-N 2 1 371.569 3.383 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000507054339 503221906 /nfs/dbraw/zinc/22/19/06/503221906.db2.gz RHYVXPAXAOSACI-OAQYLSRUSA-N 2 1 371.569 3.383 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000507054339 503221910 /nfs/dbraw/zinc/22/19/10/503221910.db2.gz RHYVXPAXAOSACI-OAQYLSRUSA-N 2 1 371.569 3.383 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000498599344 503223515 /nfs/dbraw/zinc/22/35/15/503223515.db2.gz WEDIZRJKDGHGIQ-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815590 503231767 /nfs/dbraw/zinc/23/17/67/503231767.db2.gz RLWGGGLXYKJTHH-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815590 503231771 /nfs/dbraw/zinc/23/17/71/503231771.db2.gz RLWGGGLXYKJTHH-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490815590 503231776 /nfs/dbraw/zinc/23/17/76/503231776.db2.gz RLWGGGLXYKJTHH-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490815590 503231780 /nfs/dbraw/zinc/23/17/80/503231780.db2.gz RLWGGGLXYKJTHH-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837434 503273272 /nfs/dbraw/zinc/27/32/72/503273272.db2.gz LGCLPBAIIGBXBK-QUCCMNQESA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837434 503273275 /nfs/dbraw/zinc/27/32/75/503273275.db2.gz LGCLPBAIIGBXBK-QUCCMNQESA-N 2 1 364.505 3.009 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860023 503277419 /nfs/dbraw/zinc/27/74/19/503277419.db2.gz YOJXTVASCYAGMI-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860023 503277423 /nfs/dbraw/zinc/27/74/23/503277423.db2.gz YOJXTVASCYAGMI-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000502842850 503286270 /nfs/dbraw/zinc/28/62/70/503286270.db2.gz MFYLJUIHONPKNY-AZUAARDMSA-N 2 1 360.546 3.101 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000502848125 503288230 /nfs/dbraw/zinc/28/82/30/503288230.db2.gz VDAPSIIYXXXAQB-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000502862466 503291522 /nfs/dbraw/zinc/29/15/22/503291522.db2.gz NLULWRGWUWLEBH-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491308480 503295339 /nfs/dbraw/zinc/29/53/39/503295339.db2.gz IANXDRMDOGQWRJ-TZIWHRDSSA-N 2 1 355.530 3.317 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000507410382 503295832 /nfs/dbraw/zinc/29/58/32/503295832.db2.gz UGTSZAFVEFUBBP-IBGZPJMESA-N 2 1 364.578 3.206 20 0 FGADMP CC(C)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000515290442 503307168 /nfs/dbraw/zinc/30/71/68/503307168.db2.gz UAGBDAWBARDOBI-ROUUACIJSA-N 2 1 364.534 3.082 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677201 503367812 /nfs/dbraw/zinc/36/78/12/503367812.db2.gz HWARWAYOFKBGHD-LAUBAEHRSA-N 2 1 351.494 3.314 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCc4c3c(F)ccc4F)cn2)CC1 ZINC000507844176 503378854 /nfs/dbraw/zinc/37/88/54/503378854.db2.gz JWRIWTRDYJESOA-LJQANCHMSA-N 2 1 372.463 3.279 20 0 FGADMP Cc1cnn(C)c1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000511978162 503427335 /nfs/dbraw/zinc/42/73/35/503427335.db2.gz LWKMYPUUAILDGQ-KDURUIRLSA-N 2 1 370.541 3.027 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987340 503429619 /nfs/dbraw/zinc/42/96/19/503429619.db2.gz DLAQUCHPPDNHJH-QFBILLFUSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987340 503429621 /nfs/dbraw/zinc/42/96/21/503429621.db2.gz DLAQUCHPPDNHJH-QFBILLFUSA-N 2 1 358.555 3.205 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000512016584 503435107 /nfs/dbraw/zinc/43/51/07/503435107.db2.gz STBAFSBGYPUGOU-RDTXWAMCSA-N 2 1 364.584 3.439 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000512016584 503435112 /nfs/dbraw/zinc/43/51/12/503435112.db2.gz STBAFSBGYPUGOU-RDTXWAMCSA-N 2 1 364.584 3.439 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612172 503442900 /nfs/dbraw/zinc/44/29/00/503442900.db2.gz ZDPTVEJNGNIKKL-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612172 503442903 /nfs/dbraw/zinc/44/29/03/503442903.db2.gz ZDPTVEJNGNIKKL-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612172 503442906 /nfs/dbraw/zinc/44/29/06/503442906.db2.gz ZDPTVEJNGNIKKL-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512050835 503443993 /nfs/dbraw/zinc/44/39/93/503443993.db2.gz DRSYCKLMXMLVKZ-ANFMQWFKSA-N 2 1 372.459 3.451 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000512050835 503443996 /nfs/dbraw/zinc/44/39/96/503443996.db2.gz DRSYCKLMXMLVKZ-ANFMQWFKSA-N 2 1 372.459 3.451 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512050838 503444499 /nfs/dbraw/zinc/44/44/99/503444499.db2.gz DRSYCKLMXMLVKZ-XEULDKCWSA-N 2 1 372.459 3.451 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512050838 503444503 /nfs/dbraw/zinc/44/45/03/503444503.db2.gz DRSYCKLMXMLVKZ-XEULDKCWSA-N 2 1 372.459 3.451 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940654 503462252 /nfs/dbraw/zinc/46/22/52/503462252.db2.gz JOWNEJGUQMQDTD-NLWGTHIKSA-N 2 1 360.546 3.097 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000503867328 503480986 /nfs/dbraw/zinc/48/09/86/503480986.db2.gz BLFOMQRSHLATHY-HKBOAZHASA-N 2 1 373.541 3.256 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000494247895 503512473 /nfs/dbraw/zinc/51/24/73/503512473.db2.gz NGFZWAUARMPACK-UWJYYQICSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494247895 503512475 /nfs/dbraw/zinc/51/24/75/503512475.db2.gz NGFZWAUARMPACK-UWJYYQICSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494247895 503512476 /nfs/dbraw/zinc/51/24/76/503512476.db2.gz NGFZWAUARMPACK-UWJYYQICSA-N 2 1 355.526 3.304 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000499966214 503523441 /nfs/dbraw/zinc/52/34/41/503523441.db2.gz APTXHKJAMCUORA-FQEVSTJZSA-N 2 1 366.594 3.262 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000504130421 503528318 /nfs/dbraw/zinc/52/83/18/503528318.db2.gz ZMKMPMSXIUIUPO-HOJAQTOUSA-N 2 1 362.562 3.052 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699861 503545783 /nfs/dbraw/zinc/54/57/83/503545783.db2.gz SBFQBXURBNAMSH-SRUXOGRHSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699861 503545795 /nfs/dbraw/zinc/54/57/95/503545795.db2.gz SBFQBXURBNAMSH-SRUXOGRHSA-N 2 1 373.585 3.376 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434987 503550043 /nfs/dbraw/zinc/55/00/43/503550043.db2.gz CYUGUICEWSWAEN-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434987 503550048 /nfs/dbraw/zinc/55/00/48/503550048.db2.gz CYUGUICEWSWAEN-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504324423 503556602 /nfs/dbraw/zinc/55/66/02/503556602.db2.gz LCHVJACXGXFRBU-NHCUHLMSSA-N 2 1 370.541 3.099 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512545456 503581331 /nfs/dbraw/zinc/58/13/31/503581331.db2.gz OFIRUMFPSOCHCU-TZIWHRDSSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508862152 503581687 /nfs/dbraw/zinc/58/16/87/503581687.db2.gz WATHXBTUJSXDNK-FQEVSTJZSA-N 2 1 357.498 3.198 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625914 503598167 /nfs/dbraw/zinc/59/81/67/503598167.db2.gz QWRFTLFFIBWKGQ-KJJMTIBFSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625914 503598170 /nfs/dbraw/zinc/59/81/70/503598170.db2.gz QWRFTLFFIBWKGQ-KJJMTIBFSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625914 503598175 /nfs/dbraw/zinc/59/81/75/503598175.db2.gz QWRFTLFFIBWKGQ-KJJMTIBFSA-N 2 1 373.610 3.314 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000516900459 503612707 /nfs/dbraw/zinc/61/27/07/503612707.db2.gz UIFHFKOLIHHGKO-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000504805868 503618077 /nfs/dbraw/zinc/61/80/77/503618077.db2.gz WYTILIKLSLACBI-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927833 503621483 /nfs/dbraw/zinc/62/14/83/503621483.db2.gz HSNJMWSQDPSYMJ-BULFRSBZSA-N 2 1 369.553 3.064 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000516971770 503634671 /nfs/dbraw/zinc/63/46/71/503634671.db2.gz JNMUHXLYSPHUBO-BVYCBKJFSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000516971770 503634674 /nfs/dbraw/zinc/63/46/74/503634674.db2.gz JNMUHXLYSPHUBO-BVYCBKJFSA-N 2 1 365.521 3.316 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000517071196 503656886 /nfs/dbraw/zinc/65/68/86/503656886.db2.gz TZXLLYAVKFOBJE-JKSUJKDBSA-N 2 1 370.884 3.229 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccnn2C2CCCC2)c2cccs2)CC1 ZINC000517071126 503657073 /nfs/dbraw/zinc/65/70/73/503657073.db2.gz HIXQQAAJUKDOSS-LJQANCHMSA-N 2 1 373.570 3.138 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000540137806 503685788 /nfs/dbraw/zinc/68/57/88/503685788.db2.gz RDPOVVOIZXUWED-KNQAVFIVSA-N 2 1 374.573 3.025 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000540167749 503695854 /nfs/dbraw/zinc/69/58/54/503695854.db2.gz SHAUGUWETIXABW-KXBFYZLASA-N 2 1 356.457 3.070 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257773 503701932 /nfs/dbraw/zinc/70/19/32/503701932.db2.gz ZLRYQMBFRYERJN-IEBWSBKVSA-N 2 1 372.557 3.340 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257773 503701939 /nfs/dbraw/zinc/70/19/39/503701939.db2.gz ZLRYQMBFRYERJN-IEBWSBKVSA-N 2 1 372.557 3.340 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000527212136 503721028 /nfs/dbraw/zinc/72/10/28/503721028.db2.gz BYQRFKDIUONVLO-UHFFFAOYSA-N 2 1 374.573 3.053 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1 ZINC000540260727 503726905 /nfs/dbraw/zinc/72/69/05/503726905.db2.gz KASZBQVPVNKNPO-UYAOXDASSA-N 2 1 358.555 3.419 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000536846540 503738420 /nfs/dbraw/zinc/73/84/20/503738420.db2.gz PORUJNRALZZJIR-HKBOAZHASA-N 2 1 358.526 3.485 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543704 503766962 /nfs/dbraw/zinc/76/69/62/503766962.db2.gz ZLBUZDUJYAIFEF-PXNSSMCTSA-N 2 1 372.557 3.384 20 0 FGADMP CC(C)[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536998329 503773757 /nfs/dbraw/zinc/77/37/57/503773757.db2.gz PPYFGGDGIHTFBH-IBGZPJMESA-N 2 1 373.497 3.465 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000540506040 503797785 /nfs/dbraw/zinc/79/77/85/503797785.db2.gz YCXVNZNODSKCRX-INIZCTEOSA-N 2 1 362.543 3.206 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096134 503801735 /nfs/dbraw/zinc/80/17/35/503801735.db2.gz IMCCKLZGCURXHR-NXLVEIQXSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096134 503801739 /nfs/dbraw/zinc/80/17/39/503801739.db2.gz IMCCKLZGCURXHR-NXLVEIQXSA-N 2 1 373.585 3.268 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000543563757 503813458 /nfs/dbraw/zinc/81/34/58/503813458.db2.gz LAFRVXIHOLNVRV-MSOLQXFVSA-N 2 1 358.530 3.271 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)C2 ZINC000527512439 503819316 /nfs/dbraw/zinc/81/93/16/503819316.db2.gz HTWTYYPUQSTNEL-PXNSSMCTSA-N 2 1 366.509 3.153 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)nc(C)[nH+]1 ZINC000546653609 503824943 /nfs/dbraw/zinc/82/49/43/503824943.db2.gz LBDVXBLAMUDVMA-QWFCFKBJSA-N 2 1 358.530 3.247 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540607482 503832881 /nfs/dbraw/zinc/83/28/81/503832881.db2.gz UARUFJSFMHAACC-ZDUSSCGKSA-N 2 1 355.404 3.274 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000517814463 503844880 /nfs/dbraw/zinc/84/48/80/503844880.db2.gz QEYCEIUCEIIXLY-UYAOXDASSA-N 2 1 361.530 3.352 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510640 503870031 /nfs/dbraw/zinc/87/00/31/503870031.db2.gz NKCZTQPJWUQSCN-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031226 503894085 /nfs/dbraw/zinc/89/40/85/503894085.db2.gz YRTXGSKCOQNHMQ-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518031226 503894092 /nfs/dbraw/zinc/89/40/92/503894092.db2.gz YRTXGSKCOQNHMQ-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1Cc1ccccc1 ZINC000546855940 503903137 /nfs/dbraw/zinc/90/31/37/503903137.db2.gz NIOCGAFGXSZTPK-PKOBYXMFSA-N 2 1 366.509 3.178 20 0 FGADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000518081832 503904527 /nfs/dbraw/zinc/90/45/27/503904527.db2.gz YZKXMFCFSWYIDM-PMACEKPBSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864546 503920455 /nfs/dbraw/zinc/92/04/55/503920455.db2.gz HWFOREUMGMKYIV-PKOBYXMFSA-N 2 1 367.896 3.213 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000518271001 503940946 /nfs/dbraw/zinc/94/09/46/503940946.db2.gz ZCQPLXDXDVAXFE-LZLYRXPVSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000518271001 503940954 /nfs/dbraw/zinc/94/09/54/503940954.db2.gz ZCQPLXDXDVAXFE-LZLYRXPVSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000518271001 503940962 /nfs/dbraw/zinc/94/09/62/503940962.db2.gz ZCQPLXDXDVAXFE-LZLYRXPVSA-N 2 1 366.575 3.159 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614848 503975732 /nfs/dbraw/zinc/97/57/32/503975732.db2.gz DUVLNNGWJNMDDA-WMLDXEAASA-N 2 1 356.470 3.110 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614848 503975736 /nfs/dbraw/zinc/97/57/36/503975736.db2.gz DUVLNNGWJNMDDA-WMLDXEAASA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614848 503975740 /nfs/dbraw/zinc/97/57/40/503975740.db2.gz DUVLNNGWJNMDDA-WMLDXEAASA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614848 503975744 /nfs/dbraw/zinc/97/57/44/503975744.db2.gz DUVLNNGWJNMDDA-WMLDXEAASA-N 2 1 356.470 3.110 20 0 FGADMP COCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000530513198 503994539 /nfs/dbraw/zinc/99/45/39/503994539.db2.gz QUMXOTANSIRGLS-QGZVFWFLSA-N 2 1 366.303 3.483 20 0 FGADMP CC[N@H+](Cc1ccc2c(c1)nnn2C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661290 503996123 /nfs/dbraw/zinc/99/61/23/503996123.db2.gz NRDMHQYLMWIMHJ-HXUWFJFHSA-N 2 1 363.509 3.312 20 0 FGADMP CC[NH+](Cc1ccc2c(c1)nnn2C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661290 503996125 /nfs/dbraw/zinc/99/61/25/503996125.db2.gz NRDMHQYLMWIMHJ-HXUWFJFHSA-N 2 1 363.509 3.312 20 0 FGADMP CC[NH+](Cc1ccc2c(c1)nnn2C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661290 503996127 /nfs/dbraw/zinc/99/61/27/503996127.db2.gz NRDMHQYLMWIMHJ-HXUWFJFHSA-N 2 1 363.509 3.312 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000541120853 504016499 /nfs/dbraw/zinc/01/64/99/504016499.db2.gz RGNRQKPRRKDLMR-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000518598012 504025033 /nfs/dbraw/zinc/02/50/33/504025033.db2.gz ZPMMMXIXWBOOKV-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598012 504025035 /nfs/dbraw/zinc/02/50/35/504025035.db2.gz ZPMMMXIXWBOOKV-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598012 504025037 /nfs/dbraw/zinc/02/50/37/504025037.db2.gz ZPMMMXIXWBOOKV-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP NC(=O)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626522 504031252 /nfs/dbraw/zinc/03/12/52/504031252.db2.gz ZYAGDNYUUKVUBU-HSZRJFAPSA-N 2 1 363.505 3.274 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626522 504031255 /nfs/dbraw/zinc/03/12/55/504031255.db2.gz ZYAGDNYUUKVUBU-HSZRJFAPSA-N 2 1 363.505 3.274 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000530626522 504031260 /nfs/dbraw/zinc/03/12/60/504031260.db2.gz ZYAGDNYUUKVUBU-HSZRJFAPSA-N 2 1 363.505 3.274 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000530626522 504031262 /nfs/dbraw/zinc/03/12/62/504031262.db2.gz ZYAGDNYUUKVUBU-HSZRJFAPSA-N 2 1 363.505 3.274 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000547367964 504078643 /nfs/dbraw/zinc/07/86/43/504078643.db2.gz XSMCCTZKSPJJFH-IAGOWNOFSA-N 2 1 371.525 3.161 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000547367964 504078647 /nfs/dbraw/zinc/07/86/47/504078647.db2.gz XSMCCTZKSPJJFH-IAGOWNOFSA-N 2 1 371.525 3.161 20 0 FGADMP CC[C@H](C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812502 504094181 /nfs/dbraw/zinc/09/41/81/504094181.db2.gz RXBWATHCTLJQKZ-NHCUHLMSSA-N 2 1 359.558 3.306 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000544359838 504102924 /nfs/dbraw/zinc/10/29/24/504102924.db2.gz NTQCZOPFQUEGNA-OPYAIIAOSA-N 2 1 373.541 3.262 20 0 FGADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000530862414 504111765 /nfs/dbraw/zinc/11/17/65/504111765.db2.gz YTHWMVNXLDUIJK-IBGZPJMESA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000530862414 504111768 /nfs/dbraw/zinc/11/17/68/504111768.db2.gz YTHWMVNXLDUIJK-IBGZPJMESA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000530862414 504111772 /nfs/dbraw/zinc/11/17/72/504111772.db2.gz YTHWMVNXLDUIJK-IBGZPJMESA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000530862414 504111777 /nfs/dbraw/zinc/11/17/77/504111777.db2.gz YTHWMVNXLDUIJK-IBGZPJMESA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541433328 504128155 /nfs/dbraw/zinc/12/81/55/504128155.db2.gz DJLSJUTUDUMLGS-QZTJIDSGSA-N 2 1 358.530 3.046 20 0 FGADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000530913668 504128773 /nfs/dbraw/zinc/12/87/73/504128773.db2.gz BWIYHMNEQUIUDW-QGZVFWFLSA-N 2 1 373.545 3.133 20 0 FGADMP CN(CC[N@@H+](C)CCOc1ccc2ccccc2c1)C1CC[NH+](C)CC1 ZINC000538134811 504141132 /nfs/dbraw/zinc/14/11/32/504141132.db2.gz CRQNACHVCBIBBL-UHFFFAOYSA-N 2 1 355.526 3.176 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC000534612992 504192267 /nfs/dbraw/zinc/19/22/67/504192267.db2.gz WCSXXSJYADMOPW-OTWHNJEPSA-N 2 1 372.538 3.095 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CCC[NH+](C)C)cc1 ZINC000544622509 504195321 /nfs/dbraw/zinc/19/53/21/504195321.db2.gz FISXLEZIHRZDGX-SFHVURJKSA-N 2 1 360.546 3.154 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602157 504195364 /nfs/dbraw/zinc/19/53/64/504195364.db2.gz GAXXXQYLEJJYIF-VQIMIIECSA-N 2 1 355.526 3.356 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602157 504195366 /nfs/dbraw/zinc/19/53/66/504195366.db2.gz GAXXXQYLEJJYIF-VQIMIIECSA-N 2 1 355.526 3.356 20 0 FGADMP C[N@H+](CCC(=O)N1CC[NH+](CCc2cccs2)CC1)C1CCCCC1 ZINC000547732926 504203256 /nfs/dbraw/zinc/20/32/56/504203256.db2.gz RKBUTKKAPKFJDM-UHFFFAOYSA-N 2 1 363.571 3.089 20 0 FGADMP C[N@@H+](CCC(=O)N1CC[NH+](CCc2cccs2)CC1)C1CCCCC1 ZINC000547732926 504203259 /nfs/dbraw/zinc/20/32/59/504203259.db2.gz RKBUTKKAPKFJDM-UHFFFAOYSA-N 2 1 363.571 3.089 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398023 504233892 /nfs/dbraw/zinc/23/38/92/504233892.db2.gz AVKMSFGGGZWCPQ-VXKWHMMOSA-N 2 1 371.569 3.261 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296648 504255931 /nfs/dbraw/zinc/25/59/31/504255931.db2.gz YKWJXTSAODOLPJ-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000531296648 504255937 /nfs/dbraw/zinc/25/59/37/504255937.db2.gz YKWJXTSAODOLPJ-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000531296648 504255942 /nfs/dbraw/zinc/25/59/42/504255942.db2.gz YKWJXTSAODOLPJ-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[NH+]3CCC(C)(C)C3)cc2)C1 ZINC000519574825 504258403 /nfs/dbraw/zinc/25/84/03/504258403.db2.gz STPMKEYWGBTLHR-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)cc2)C1 ZINC000519574825 504258410 /nfs/dbraw/zinc/25/84/10/504258410.db2.gz STPMKEYWGBTLHR-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)C[N@H+]3CCC(C)(C)C3)cc2)C1 ZINC000519574825 504258418 /nfs/dbraw/zinc/25/84/18/504258418.db2.gz STPMKEYWGBTLHR-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000519620777 504276419 /nfs/dbraw/zinc/27/64/19/504276419.db2.gz FEWXOTYZJNRGNA-SFHVURJKSA-N 2 1 354.922 3.028 20 0 FGADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000519620777 504276424 /nfs/dbraw/zinc/27/64/24/504276424.db2.gz FEWXOTYZJNRGNA-SFHVURJKSA-N 2 1 354.922 3.028 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000519658430 504292631 /nfs/dbraw/zinc/29/26/31/504292631.db2.gz ZGNNSRIBMAQIEV-SOAGJPPSSA-N 2 1 357.542 3.419 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCCc2ccccc21)c1ccccc1 ZINC000548113650 504336104 /nfs/dbraw/zinc/33/61/04/504336104.db2.gz GVSAVYFFLKOGCO-VXKWHMMOSA-N 2 1 365.521 3.415 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698688 504337390 /nfs/dbraw/zinc/33/73/90/504337390.db2.gz BHWQWVPUWFZIAD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698688 504337392 /nfs/dbraw/zinc/33/73/92/504337392.db2.gz BHWQWVPUWFZIAD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698688 504337396 /nfs/dbraw/zinc/33/73/96/504337396.db2.gz BHWQWVPUWFZIAD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698688 504337398 /nfs/dbraw/zinc/33/73/98/504337398.db2.gz BHWQWVPUWFZIAD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP c1nc([C@H]2CCCO2)sc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000538721533 504342176 /nfs/dbraw/zinc/34/21/76/504342176.db2.gz OULLPIIVHFDYIK-GOSISDBHSA-N 2 1 365.543 3.071 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528718387 504347026 /nfs/dbraw/zinc/34/70/26/504347026.db2.gz XQFJGUVNMXKJHS-UHFFFAOYSA-N 2 1 374.529 3.144 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796303 504374088 /nfs/dbraw/zinc/37/40/88/504374088.db2.gz ZGGOHLVLIJTINI-DJIMGWMZSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796303 504374095 /nfs/dbraw/zinc/37/40/95/504374095.db2.gz ZGGOHLVLIJTINI-DJIMGWMZSA-N 2 1 358.404 3.269 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H](C)C1 ZINC000531738239 504408636 /nfs/dbraw/zinc/40/86/36/504408636.db2.gz BJHLGTQCLLMNSI-MAUKXSAKSA-N 2 1 356.457 3.070 20 0 FGADMP c1cc(N[C@H]2CCC[C@H]2C2CC2)cc2nc(CCN3CCOCC3)[nH]c12 ZINC000545242244 504411944 /nfs/dbraw/zinc/41/19/44/504411944.db2.gz RCBFXOGKAQRETO-ROUUACIJSA-N 2 1 354.498 3.428 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185718 504430245 /nfs/dbraw/zinc/43/02/45/504430245.db2.gz WEASFEAPMBWHLV-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520185718 504430247 /nfs/dbraw/zinc/43/02/47/504430247.db2.gz WEASFEAPMBWHLV-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520185718 504430248 /nfs/dbraw/zinc/43/02/48/504430248.db2.gz WEASFEAPMBWHLV-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP O=C1[C@@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000520230372 504441590 /nfs/dbraw/zinc/44/15/90/504441590.db2.gz MPVPHCZYDCCAOI-INIZCTEOSA-N 2 1 368.308 3.174 20 0 FGADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@@H]1c1cccs1 ZINC000545344418 504452360 /nfs/dbraw/zinc/45/23/60/504452360.db2.gz DXPIXFAHXSRMLW-VQIMIIECSA-N 2 1 371.554 3.445 20 0 FGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@@H]1c1cccs1 ZINC000545344418 504452365 /nfs/dbraw/zinc/45/23/65/504452365.db2.gz DXPIXFAHXSRMLW-VQIMIIECSA-N 2 1 371.554 3.445 20 0 FGADMP CC[N@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000542358915 504461324 /nfs/dbraw/zinc/46/13/24/504461324.db2.gz LAOQHKIKLRGEFT-GOSISDBHSA-N 2 1 360.546 3.340 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000542358915 504461329 /nfs/dbraw/zinc/46/13/29/504461329.db2.gz LAOQHKIKLRGEFT-GOSISDBHSA-N 2 1 360.546 3.340 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1[C@H]1C[C@H]1c1ccccc1 ZINC000539085963 504468052 /nfs/dbraw/zinc/46/80/52/504468052.db2.gz AUNPHWYKJJVTEC-BVSLBCMMSA-N 2 1 367.537 3.140 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548514031 504473739 /nfs/dbraw/zinc/47/37/39/504473739.db2.gz IDHUOOYGEVJWIL-HXUWFJFHSA-N 2 1 357.542 3.135 20 0 FGADMP CCc1ccc(CC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539147322 504487077 /nfs/dbraw/zinc/48/70/77/504487077.db2.gz RBWHYFYAJRCGLT-BGYRXZFFSA-N 2 1 374.569 3.382 20 0 FGADMP CCc1ccc(CC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539147322 504487080 /nfs/dbraw/zinc/48/70/80/504487080.db2.gz RBWHYFYAJRCGLT-BGYRXZFFSA-N 2 1 374.569 3.382 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435841 504489457 /nfs/dbraw/zinc/48/94/57/504489457.db2.gz PGVXHTKMUPTWQO-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000539215585 504499709 /nfs/dbraw/zinc/49/97/09/504499709.db2.gz LFOWYGSCVKFLKD-DYESRHJHSA-N 2 1 358.913 3.498 20 0 FGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000539215585 504499711 /nfs/dbraw/zinc/49/97/11/504499711.db2.gz LFOWYGSCVKFLKD-DYESRHJHSA-N 2 1 358.913 3.498 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1cn2ccccc2n1 ZINC000548713676 504536677 /nfs/dbraw/zinc/53/66/77/504536677.db2.gz ZYTRZYSKMDCDCU-QGZVFWFLSA-N 2 1 364.493 3.142 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000535818661 504554033 /nfs/dbraw/zinc/55/40/33/504554033.db2.gz GBWBKUIKBWDCJJ-PMACEKPBSA-N 2 1 359.558 3.464 20 0 FGADMP COc1ccccc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188694 504567192 /nfs/dbraw/zinc/56/71/92/504567192.db2.gz ZUQLDYLMBUMENV-FUHWJXTLSA-N 2 1 359.539 3.396 20 0 FGADMP CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532226032 504578845 /nfs/dbraw/zinc/57/88/45/504578845.db2.gz QGMWKCICLRWUNC-WOJBJXKFSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532235200 504582623 /nfs/dbraw/zinc/58/26/23/504582623.db2.gz PZRRPRRELDYLAB-VKJFTORMSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532235200 504582626 /nfs/dbraw/zinc/58/26/26/504582626.db2.gz PZRRPRRELDYLAB-VKJFTORMSA-N 2 1 351.922 3.149 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520806289 504586199 /nfs/dbraw/zinc/58/61/99/504586199.db2.gz NFAKUTALODYROM-JENIJYKNSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520806289 504586202 /nfs/dbraw/zinc/58/62/02/504586202.db2.gz NFAKUTALODYROM-JENIJYKNSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758360 504597753 /nfs/dbraw/zinc/59/77/53/504597753.db2.gz ARLUIDINUROGPE-LNLFQRSKSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529290691 504621572 /nfs/dbraw/zinc/62/15/72/504621572.db2.gz VHXZWLIWWGVHLN-XLIONFOSSA-N 2 1 370.541 3.002 20 0 FGADMP Cc1ccc2c(c1)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C2 ZINC000521076127 504644248 /nfs/dbraw/zinc/64/42/48/504644248.db2.gz JBHRFBCTGXHUBA-UHFFFAOYSA-N 2 1 357.542 3.121 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000539821257 504702227 /nfs/dbraw/zinc/70/22/27/504702227.db2.gz ZNDNMUNVPWHXRO-LJQANCHMSA-N 2 1 370.566 3.410 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)cs3)C2)CC1 ZINC000539821257 504702233 /nfs/dbraw/zinc/70/22/33/504702233.db2.gz ZNDNMUNVPWHXRO-LJQANCHMSA-N 2 1 370.566 3.410 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000521309788 504706412 /nfs/dbraw/zinc/70/64/12/504706412.db2.gz WJRZMLFLKCEKSG-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000521319756 504708535 /nfs/dbraw/zinc/70/85/35/504708535.db2.gz LKBSCEXGRSVQCY-RBBKRZOGSA-N 2 1 354.494 3.025 20 0 FGADMP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000539849825 504716956 /nfs/dbraw/zinc/71/69/56/504716956.db2.gz XNFNDAXFOBHWRL-GOSISDBHSA-N 2 1 358.530 3.379 20 0 FGADMP CCCn1c2ccccc2nc1C[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000539849825 504716961 /nfs/dbraw/zinc/71/69/61/504716961.db2.gz XNFNDAXFOBHWRL-GOSISDBHSA-N 2 1 358.530 3.379 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851693 504718068 /nfs/dbraw/zinc/71/80/68/504718068.db2.gz YKEWZQMHYDALIO-LJQANCHMSA-N 2 1 352.482 3.433 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851693 504718075 /nfs/dbraw/zinc/71/80/75/504718075.db2.gz YKEWZQMHYDALIO-LJQANCHMSA-N 2 1 352.482 3.433 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851693 504718077 /nfs/dbraw/zinc/71/80/77/504718077.db2.gz YKEWZQMHYDALIO-LJQANCHMSA-N 2 1 352.482 3.433 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851693 504718084 /nfs/dbraw/zinc/71/80/84/504718084.db2.gz YKEWZQMHYDALIO-LJQANCHMSA-N 2 1 352.482 3.433 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549206547 504723478 /nfs/dbraw/zinc/72/34/78/504723478.db2.gz KEOMSXLHOABBHM-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549206547 504723482 /nfs/dbraw/zinc/72/34/82/504723482.db2.gz KEOMSXLHOABBHM-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP CC1CCC([N@@H+](C)CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000532899285 504772245 /nfs/dbraw/zinc/77/22/45/504772245.db2.gz WKKVMEZVPRCSCX-UHFFFAOYSA-N 2 1 357.542 3.409 20 0 FGADMP COc1cccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000559260740 504811893 /nfs/dbraw/zinc/81/18/93/504811893.db2.gz APMAIRCJLTYXPB-RXVVDRJESA-N 2 1 373.541 3.213 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)CC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000559261218 504812614 /nfs/dbraw/zinc/81/26/14/504812614.db2.gz LBINZIZOJDNPIU-UYAOXDASSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](CC(C)C)C3)CC2)CC1 ZINC000565185395 504820924 /nfs/dbraw/zinc/82/09/24/504820924.db2.gz JNBWKBVJGSWNMZ-IBGZPJMESA-N 2 1 363.590 3.467 20 0 FGADMP Cc1nocc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000559294010 504822572 /nfs/dbraw/zinc/82/25/72/504822572.db2.gz ABRNNPXOELHNMB-CALCHBBNSA-N 2 1 357.498 3.282 20 0 FGADMP CC[C@H](c1ccncc1)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553143257 504836990 /nfs/dbraw/zinc/83/69/90/504836990.db2.gz DSUXFTANZXEQGQ-OAQYLSRUSA-N 2 1 372.557 3.187 20 0 FGADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000549774783 504894690 /nfs/dbraw/zinc/89/46/90/504894690.db2.gz NEABJQALKDALKC-OAQYLSRUSA-N 2 1 373.541 3.040 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000559636042 504901663 /nfs/dbraw/zinc/90/16/63/504901663.db2.gz FPBBRKWVYGZKLN-PZJWPPBQSA-N 2 1 366.509 3.257 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000559636042 504901666 /nfs/dbraw/zinc/90/16/66/504901666.db2.gz FPBBRKWVYGZKLN-PZJWPPBQSA-N 2 1 366.509 3.257 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536208 504915702 /nfs/dbraw/zinc/91/57/02/504915702.db2.gz YCQXNADRLBJLEZ-NQIIRXRSSA-N 2 1 356.510 3.290 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H]1c1ccccc1 ZINC000559737446 504919620 /nfs/dbraw/zinc/91/96/20/504919620.db2.gz WUCVHCJNVLNJLU-PMACEKPBSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@H]1c1ccccc1 ZINC000559737446 504919623 /nfs/dbraw/zinc/91/96/23/504919623.db2.gz WUCVHCJNVLNJLU-PMACEKPBSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559741802 504920043 /nfs/dbraw/zinc/92/00/43/504920043.db2.gz WTMVUWYDOONUHS-COPCDDAFSA-N 2 1 356.485 3.402 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559741802 504920046 /nfs/dbraw/zinc/92/00/46/504920046.db2.gz WTMVUWYDOONUHS-COPCDDAFSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553525478 504940010 /nfs/dbraw/zinc/94/00/10/504940010.db2.gz BGTOQGNRGHJXFN-CTNGQTDRSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525478 504940015 /nfs/dbraw/zinc/94/00/15/504940015.db2.gz BGTOQGNRGHJXFN-CTNGQTDRSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525478 504940019 /nfs/dbraw/zinc/94/00/19/504940019.db2.gz BGTOQGNRGHJXFN-CTNGQTDRSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705083 504964149 /nfs/dbraw/zinc/96/41/49/504964149.db2.gz FULKMLNGRYOQQU-ROUUACIJSA-N 2 1 370.541 3.451 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000565733671 504971913 /nfs/dbraw/zinc/97/19/13/504971913.db2.gz INOOTSYYRZSQQK-GHTZIAJQSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733671 504971914 /nfs/dbraw/zinc/97/19/14/504971914.db2.gz INOOTSYYRZSQQK-GHTZIAJQSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733671 504971917 /nfs/dbraw/zinc/97/19/17/504971917.db2.gz INOOTSYYRZSQQK-GHTZIAJQSA-N 2 1 357.542 3.230 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H]2CCC[C@H]21 ZINC000556862782 504998894 /nfs/dbraw/zinc/99/88/94/504998894.db2.gz ALSVUGNJYWYESK-JRGCBEDISA-N 2 1 363.496 3.392 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987326 505010601 /nfs/dbraw/zinc/01/06/01/505010601.db2.gz GTMBCVTXSZYRSR-XMSQKQJNSA-N 2 1 366.505 3.167 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000562994210 505013104 /nfs/dbraw/zinc/01/31/04/505013104.db2.gz AQLHCYTXKCZAAY-LAUBAEHRSA-N 2 1 372.484 3.381 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000556924138 505018264 /nfs/dbraw/zinc/01/82/64/505018264.db2.gz HAJHQFMORITHJT-ZDUSSCGKSA-N 2 1 374.286 3.491 20 0 FGADMP CC(C)[C@]1(CO)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000556958337 505030279 /nfs/dbraw/zinc/03/02/79/505030279.db2.gz CYUSTIHVCAVFPV-HSZRJFAPSA-N 2 1 373.585 3.448 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939071 505032676 /nfs/dbraw/zinc/03/26/76/505032676.db2.gz JHTZTFTZKBKRBG-BRWVUGGUSA-N 2 1 362.493 3.047 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000557032908 505048255 /nfs/dbraw/zinc/04/82/55/505048255.db2.gz RPSWCOFXVXUHDR-UHFFFAOYSA-N 2 1 366.465 3.111 20 0 FGADMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120112 505052849 /nfs/dbraw/zinc/05/28/49/505052849.db2.gz RVGBHRWABMLBSN-ROUUACIJSA-N 2 1 367.459 3.410 20 0 FGADMP FC(F)(F)CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120112 505052850 /nfs/dbraw/zinc/05/28/50/505052850.db2.gz RVGBHRWABMLBSN-ROUUACIJSA-N 2 1 367.459 3.410 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Nc3cccc(OC)c3)CC2)cc1 ZINC000563214863 505078322 /nfs/dbraw/zinc/07/83/22/505078322.db2.gz BLJVUJDROVBBHC-SFHVURJKSA-N 2 1 369.509 3.323 20 0 FGADMP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566170685 505103198 /nfs/dbraw/zinc/10/31/98/505103198.db2.gz XQAFFPDYISTHGT-IEBWSBKVSA-N 2 1 363.571 3.374 20 0 FGADMP FC(F)Cn1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000560533578 505117150 /nfs/dbraw/zinc/11/71/50/505117150.db2.gz QQQHLJSBYNUBDZ-RTBURBONSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000560533578 505117154 /nfs/dbraw/zinc/11/71/54/505117154.db2.gz QQQHLJSBYNUBDZ-RTBURBONSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000560533578 505117158 /nfs/dbraw/zinc/11/71/58/505117158.db2.gz QQQHLJSBYNUBDZ-RTBURBONSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000560533578 505117162 /nfs/dbraw/zinc/11/71/62/505117162.db2.gz QQQHLJSBYNUBDZ-RTBURBONSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000560533578 505117167 /nfs/dbraw/zinc/11/71/67/505117167.db2.gz QQQHLJSBYNUBDZ-RTBURBONSA-N 2 1 360.452 3.102 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245801 505122478 /nfs/dbraw/zinc/12/24/78/505122478.db2.gz SYWHPNPFUXIMCW-ONIAQPFYSA-N 2 1 363.933 3.227 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000566383047 505160316 /nfs/dbraw/zinc/16/03/16/505160316.db2.gz FTCFGYCTFMQLOD-GOSISDBHSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000557548675 505164326 /nfs/dbraw/zinc/16/43/26/505164326.db2.gz RFIYUJUZBVJXBR-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000557548675 505164330 /nfs/dbraw/zinc/16/43/30/505164330.db2.gz RFIYUJUZBVJXBR-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000557548675 505164333 /nfs/dbraw/zinc/16/43/33/505164333.db2.gz RFIYUJUZBVJXBR-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CCOCc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000557590748 505176653 /nfs/dbraw/zinc/17/66/53/505176653.db2.gz LXHWBMVLFXGFNR-UHFFFAOYSA-N 2 1 373.541 3.358 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC000563655099 505203017 /nfs/dbraw/zinc/20/30/17/505203017.db2.gz HELRXOZRONJHPX-VQTJNVASSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC000563655099 505203020 /nfs/dbraw/zinc/20/30/20/505203020.db2.gz HELRXOZRONJHPX-VQTJNVASSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC000563655099 505203024 /nfs/dbraw/zinc/20/30/24/505203024.db2.gz HELRXOZRONJHPX-VQTJNVASSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1O ZINC000563655099 505203028 /nfs/dbraw/zinc/20/30/28/505203028.db2.gz HELRXOZRONJHPX-VQTJNVASSA-N 2 1 352.478 3.355 20 0 FGADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000554550049 505204604 /nfs/dbraw/zinc/20/46/04/505204604.db2.gz ATFMPNFADVHJFT-CTNGQTDRSA-N 2 1 374.573 3.129 20 0 FGADMP CC[N@@H+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@H](C)C1 ZINC000557696935 505206282 /nfs/dbraw/zinc/20/62/82/505206282.db2.gz ZDHZHZXNNMDLQX-CQSZACIVSA-N 2 1 373.570 3.434 20 0 FGADMP CC[N@H+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@H](C)C1 ZINC000557696935 505206288 /nfs/dbraw/zinc/20/62/88/505206288.db2.gz ZDHZHZXNNMDLQX-CQSZACIVSA-N 2 1 373.570 3.434 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690897 505213151 /nfs/dbraw/zinc/21/31/51/505213151.db2.gz DQMUFXKAYSJGQZ-YLJYHZDGSA-N 2 1 372.557 3.391 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632034 505227318 /nfs/dbraw/zinc/22/73/18/505227318.db2.gz JREABFSNKGLCTK-SQGPQFPESA-N 2 1 369.509 3.272 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632034 505227320 /nfs/dbraw/zinc/22/73/20/505227320.db2.gz JREABFSNKGLCTK-SQGPQFPESA-N 2 1 369.509 3.272 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3c(Cl)cccc3Cl)CC2)CC1 ZINC000566646685 505231286 /nfs/dbraw/zinc/23/12/86/505231286.db2.gz QZMUSQRENPJTCN-UHFFFAOYSA-N 2 1 356.341 3.453 20 0 FGADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@H]1[NH3+] ZINC000561131303 505258847 /nfs/dbraw/zinc/25/88/47/505258847.db2.gz BEWQAFFYNHJNQO-DYESRHJHSA-N 2 1 372.557 3.330 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)cn1C ZINC000554858689 505283079 /nfs/dbraw/zinc/28/30/79/505283079.db2.gz UJEBBXGJOFKHBN-QGZVFWFLSA-N 2 1 369.509 3.333 20 0 FGADMP Cc1ccnc(NCC2CCN(CC(=O)NC(C)(C)C)CC2)c1Cl ZINC000561224183 505284742 /nfs/dbraw/zinc/28/47/42/505284742.db2.gz MWAQWEIJMMSEFF-UHFFFAOYSA-N 2 1 352.910 3.082 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279260 505301898 /nfs/dbraw/zinc/30/18/98/505301898.db2.gz NANSNWHYMWPCKG-RBUKOAKNSA-N 2 1 368.525 3.150 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000555011024 505327928 /nfs/dbraw/zinc/32/79/28/505327928.db2.gz JZANIHXVQNWKJO-HXUWFJFHSA-N 2 1 357.542 3.380 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000567052340 505350178 /nfs/dbraw/zinc/35/01/78/505350178.db2.gz WITXPMIUXXKWQF-KSSFIOAISA-N 2 1 364.440 3.150 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000551985348 505362833 /nfs/dbraw/zinc/36/28/33/505362833.db2.gz WOPKXJCAXBWZHD-DNVCBOLYSA-N 2 1 365.905 3.306 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000551985348 505362836 /nfs/dbraw/zinc/36/28/36/505362836.db2.gz WOPKXJCAXBWZHD-DNVCBOLYSA-N 2 1 365.905 3.306 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000551988319 505363968 /nfs/dbraw/zinc/36/39/68/505363968.db2.gz MNZILAPLJHLNKP-JKSUJKDBSA-N 2 1 368.481 3.295 20 0 FGADMP CC[C@@H]1C[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147730 505376962 /nfs/dbraw/zinc/37/69/62/505376962.db2.gz YPMGXXYPLAVZOH-RJGXRXQPSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452938 505468286 /nfs/dbraw/zinc/46/82/86/505468286.db2.gz BCTCMNVWFCMWDC-HRAATJIYSA-N 2 1 364.493 3.322 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555598412 505468852 /nfs/dbraw/zinc/46/88/52/505468852.db2.gz SLEMGQSMDIKFSO-HLIPFELVSA-N 2 1 361.555 3.218 20 0 FGADMP CC[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598500 505469032 /nfs/dbraw/zinc/46/90/32/505469032.db2.gz WCSDLSASDVHYAX-ICSRJNTNSA-N 2 1 363.933 3.325 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458212 505496454 /nfs/dbraw/zinc/49/64/54/505496454.db2.gz WUOQSLLWERBZKT-IRLDBZIGSA-N 2 1 369.553 3.026 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458212 505496460 /nfs/dbraw/zinc/49/64/60/505496460.db2.gz WUOQSLLWERBZKT-IRLDBZIGSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458212 505496461 /nfs/dbraw/zinc/49/64/61/505496461.db2.gz WUOQSLLWERBZKT-IRLDBZIGSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458212 505496467 /nfs/dbraw/zinc/49/64/67/505496467.db2.gz WUOQSLLWERBZKT-IRLDBZIGSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC(C(F)F)CC2)c2cccs2)CC1 ZINC000567566756 505500262 /nfs/dbraw/zinc/50/02/62/505500262.db2.gz BKANBDQJIBOPLY-GPANFISMSA-N 2 1 357.514 3.450 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Cl)cc1Cl ZINC000567605913 505512337 /nfs/dbraw/zinc/51/23/37/505512337.db2.gz KLQMETYVFLTSSJ-GPANFISMSA-N 2 1 373.324 3.340 20 0 FGADMP Cc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000567650801 505525425 /nfs/dbraw/zinc/52/54/25/505525425.db2.gz UCJKADFBBXDMDN-FQEVSTJZSA-N 2 1 355.551 3.449 20 0 FGADMP Cc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000567650801 505525426 /nfs/dbraw/zinc/52/54/26/505525426.db2.gz UCJKADFBBXDMDN-FQEVSTJZSA-N 2 1 355.551 3.449 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CC[NH+](Cc4nc(C)c(C)o4)CC3)C[C@H]2C1 ZINC000567662331 505528495 /nfs/dbraw/zinc/52/84/95/505528495.db2.gz LXLVEGGXVNMTNX-AVCFWEGKSA-N 2 1 361.530 3.297 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000562181585 505534407 /nfs/dbraw/zinc/53/44/07/505534407.db2.gz SVOKZIUGJHFCBY-DZFGPLHGSA-N 2 1 359.558 3.478 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1)CC(C)C ZINC000552695117 505537312 /nfs/dbraw/zinc/53/73/12/505537312.db2.gz VUWQPUSFCWAMNB-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1)CC(C)C ZINC000552695117 505537313 /nfs/dbraw/zinc/53/73/13/505537313.db2.gz VUWQPUSFCWAMNB-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1)CC(C)C ZINC000552695117 505537316 /nfs/dbraw/zinc/53/73/16/505537316.db2.gz VUWQPUSFCWAMNB-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cc(Cl)ccc1Cl ZINC000564862484 505543218 /nfs/dbraw/zinc/54/32/18/505543218.db2.gz OIZWPVOHCNDLOF-UYSNPLJNSA-N 2 1 373.324 3.340 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870484 505569403 /nfs/dbraw/zinc/56/94/03/505569403.db2.gz DFDMABOFUSPJGB-PKOBYXMFSA-N 2 1 352.478 3.412 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000608061190 506403082 /nfs/dbraw/zinc/40/30/82/506403082.db2.gz GCKDFHPAJCUNGT-GXTWGEPZSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000608061190 506403087 /nfs/dbraw/zinc/40/30/87/506403087.db2.gz GCKDFHPAJCUNGT-GXTWGEPZSA-N 2 1 371.319 3.429 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165573 506448818 /nfs/dbraw/zinc/44/88/18/506448818.db2.gz RPSVLQUXZLDYIK-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165573 506448827 /nfs/dbraw/zinc/44/88/27/506448827.db2.gz RPSVLQUXZLDYIK-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165573 506448832 /nfs/dbraw/zinc/44/88/32/506448832.db2.gz RPSVLQUXZLDYIK-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000582995597 506528488 /nfs/dbraw/zinc/52/84/88/506528488.db2.gz CPVIEYABDWUTPP-HSZRJFAPSA-N 2 1 350.506 3.282 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000582995597 506528494 /nfs/dbraw/zinc/52/84/94/506528494.db2.gz CPVIEYABDWUTPP-HSZRJFAPSA-N 2 1 350.506 3.282 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688415 506665966 /nfs/dbraw/zinc/66/59/66/506665966.db2.gz IZSXOWCBIOPRFL-VQTJNVASSA-N 2 1 374.573 3.269 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608691526 506667126 /nfs/dbraw/zinc/66/71/26/506667126.db2.gz DTBSWKCIDJQGKZ-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608691526 506667131 /nfs/dbraw/zinc/66/71/31/506667131.db2.gz DTBSWKCIDJQGKZ-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583264274 506684935 /nfs/dbraw/zinc/68/49/35/506684935.db2.gz HCXDXBZPMPSFPJ-ZTFGCOKTSA-N 2 1 367.896 3.120 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107050 506715805 /nfs/dbraw/zinc/71/58/05/506715805.db2.gz YQHKZYVYPMVJTC-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604107050 506715811 /nfs/dbraw/zinc/71/58/11/506715811.db2.gz YQHKZYVYPMVJTC-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604107050 506715815 /nfs/dbraw/zinc/71/58/15/506715815.db2.gz YQHKZYVYPMVJTC-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000583343846 506728233 /nfs/dbraw/zinc/72/82/33/506728233.db2.gz MFYJMPGLYPTWKX-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000583343846 506728238 /nfs/dbraw/zinc/72/82/38/506728238.db2.gz MFYJMPGLYPTWKX-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000583343846 506728243 /nfs/dbraw/zinc/72/82/43/506728243.db2.gz MFYJMPGLYPTWKX-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CN(C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000604201705 506748585 /nfs/dbraw/zinc/74/85/85/506748585.db2.gz GYKGJFXZJVCLIK-LEWJYISDSA-N 2 1 370.541 3.092 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)ccc2o1 ZINC000593730152 506751869 /nfs/dbraw/zinc/75/18/69/506751869.db2.gz KVQLZCCGLNVTDN-YQVWRLOYSA-N 2 1 372.465 3.080 20 0 FGADMP COC(=O)c1oc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C ZINC000597054882 506752708 /nfs/dbraw/zinc/75/27/08/506752708.db2.gz WJIPIXZOBCSEKL-GOSISDBHSA-N 2 1 356.466 3.029 20 0 FGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000604390294 506814817 /nfs/dbraw/zinc/81/48/17/506814817.db2.gz UOKKXOWVAOKYCD-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000604390294 506814824 /nfs/dbraw/zinc/81/48/24/506814824.db2.gz UOKKXOWVAOKYCD-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000600197589 506837694 /nfs/dbraw/zinc/83/76/94/506837694.db2.gz SABUGFIMPWVXFZ-BEFAXECRSA-N 2 1 370.497 3.375 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1)C(C)C ZINC000597216973 506841666 /nfs/dbraw/zinc/84/16/66/506841666.db2.gz XRZVFEUKGSBDSZ-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C(C)C ZINC000597216973 506841672 /nfs/dbraw/zinc/84/16/72/506841672.db2.gz XRZVFEUKGSBDSZ-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C(C)C ZINC000597216973 506841675 /nfs/dbraw/zinc/84/16/75/506841675.db2.gz XRZVFEUKGSBDSZ-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP O[C@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)C[NH+]1CCCC1 ZINC000590611551 506881560 /nfs/dbraw/zinc/88/15/60/506881560.db2.gz OXWLHIMFWPWKRJ-OAQYLSRUSA-N 2 1 363.505 3.236 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)c1 ZINC000583698378 506923797 /nfs/dbraw/zinc/92/37/97/506923797.db2.gz YCBMRUCVZMUDRW-IBGZPJMESA-N 2 1 358.457 3.081 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000583698378 506923803 /nfs/dbraw/zinc/92/38/03/506923803.db2.gz YCBMRUCVZMUDRW-IBGZPJMESA-N 2 1 358.457 3.081 20 0 FGADMP CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613383692 507060893 /nfs/dbraw/zinc/06/08/93/507060893.db2.gz ICXBRJGGHMNPQF-WSTZPKSXSA-N 2 1 374.569 3.291 20 0 FGADMP CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613383692 507060895 /nfs/dbraw/zinc/06/08/95/507060895.db2.gz ICXBRJGGHMNPQF-WSTZPKSXSA-N 2 1 374.569 3.291 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000591063954 507096688 /nfs/dbraw/zinc/09/66/88/507096688.db2.gz PINWEHWMZMFSPW-GOSISDBHSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000591063955 507097530 /nfs/dbraw/zinc/09/75/30/507097530.db2.gz PINWEHWMZMFSPW-SFHVURJKSA-N 2 1 373.541 3.106 20 0 FGADMP Cc1cccc(OCC[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000591083624 507107309 /nfs/dbraw/zinc/10/73/09/507107309.db2.gz GBPBWZSHSXPFDI-UHFFFAOYSA-N 2 1 367.537 3.123 20 0 FGADMP Cc1cccc(OCC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000591083624 507107316 /nfs/dbraw/zinc/10/73/16/507107316.db2.gz GBPBWZSHSXPFDI-UHFFFAOYSA-N 2 1 367.537 3.123 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000591096438 507114306 /nfs/dbraw/zinc/11/43/06/507114306.db2.gz NZQAZQCNBDJWKE-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000591096438 507114308 /nfs/dbraw/zinc/11/43/08/507114308.db2.gz NZQAZQCNBDJWKE-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000591096438 507114311 /nfs/dbraw/zinc/11/43/11/507114311.db2.gz NZQAZQCNBDJWKE-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000584044201 507120226 /nfs/dbraw/zinc/12/02/26/507120226.db2.gz FTVRVUBJVFIQAD-FQEVSTJZSA-N 2 1 353.466 3.107 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc2ccccc2c1 ZINC000584044201 507120229 /nfs/dbraw/zinc/12/02/29/507120229.db2.gz FTVRVUBJVFIQAD-FQEVSTJZSA-N 2 1 353.466 3.107 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nn(C)c4ccccc34)CC2)oc1C ZINC000600815650 507133621 /nfs/dbraw/zinc/13/36/21/507133621.db2.gz JOMDFLSGSIUDSM-UHFFFAOYSA-N 2 1 367.497 3.180 20 0 FGADMP C[C@H](CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000600843076 507144319 /nfs/dbraw/zinc/14/43/19/507144319.db2.gz YPNJXALKHOQZRA-VQIMIIECSA-N 2 1 374.554 3.171 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000584180311 507197373 /nfs/dbraw/zinc/19/73/73/507197373.db2.gz JEACNLHTKMVJOG-SFHVURJKSA-N 2 1 357.498 3.026 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000584180311 507197381 /nfs/dbraw/zinc/19/73/81/507197381.db2.gz JEACNLHTKMVJOG-SFHVURJKSA-N 2 1 357.498 3.026 20 0 FGADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCN1c1ccccc1 ZINC000597964181 507199026 /nfs/dbraw/zinc/19/90/26/507199026.db2.gz RFJRSVKNEFZPMG-NRFANRHFSA-N 2 1 355.526 3.380 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000600960425 507208075 /nfs/dbraw/zinc/20/80/75/507208075.db2.gz XKZZKOYKOWXCEM-VQQMMKBISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000600960425 507208079 /nfs/dbraw/zinc/20/80/79/507208079.db2.gz XKZZKOYKOWXCEM-VQQMMKBISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000600960425 507208085 /nfs/dbraw/zinc/20/80/85/507208085.db2.gz XKZZKOYKOWXCEM-VQQMMKBISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000600960425 507208089 /nfs/dbraw/zinc/20/80/89/507208089.db2.gz XKZZKOYKOWXCEM-VQQMMKBISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591456243 507257447 /nfs/dbraw/zinc/25/74/47/507257447.db2.gz HFAOZPCVWRWKQF-ROUUACIJSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C)[N@H+](C)C1CC1 ZINC000591456243 507257450 /nfs/dbraw/zinc/25/74/50/507257450.db2.gz HFAOZPCVWRWKQF-ROUUACIJSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000591456243 507257455 /nfs/dbraw/zinc/25/74/55/507257455.db2.gz HFAOZPCVWRWKQF-ROUUACIJSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000591457603 507258911 /nfs/dbraw/zinc/25/89/11/507258911.db2.gz BBEWITHXYAMQNI-IBGZPJMESA-N 2 1 373.541 3.108 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346151 507293196 /nfs/dbraw/zinc/29/31/96/507293196.db2.gz UTDHIHFHKLDYMQ-AEFFLSMTSA-N 2 1 358.448 3.176 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000601290197 507325106 /nfs/dbraw/zinc/32/51/06/507325106.db2.gz IBQMKJVKWXYYAM-SFTDATJTSA-N 2 1 372.557 3.306 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1 ZINC000595061530 507373320 /nfs/dbraw/zinc/37/33/20/507373320.db2.gz ORAFYRDFXOBDHL-GIMAVKCBSA-N 2 1 362.583 3.361 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670686 507441417 /nfs/dbraw/zinc/44/14/17/507441417.db2.gz LSZDVFLECWJYKW-BLKABHOGSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703613 507488006 /nfs/dbraw/zinc/48/80/06/507488006.db2.gz YBKAJQJVAHYSSQ-GBESFXJTSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000584787856 507504742 /nfs/dbraw/zinc/50/47/42/507504742.db2.gz SEBMUUJIXHPFOR-GOSISDBHSA-N 2 1 358.505 3.222 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1C ZINC000602013183 507553909 /nfs/dbraw/zinc/55/39/09/507553909.db2.gz WTONCMHRIAXZAP-RDTXWAMCSA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1C ZINC000602013183 507553917 /nfs/dbraw/zinc/55/39/17/507553917.db2.gz WTONCMHRIAXZAP-RDTXWAMCSA-N 2 1 361.511 3.046 20 0 FGADMP Fc1cccc(F)c1C[N@@H+]1CCC[C@H](Nc2cc(-n3ccnc3)ncn2)C1 ZINC000607145639 507629754 /nfs/dbraw/zinc/62/97/54/507629754.db2.gz NFANYWDXNFDWPD-AWEZNQCLSA-N 2 1 370.407 3.017 20 0 FGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@H](Nc2cc(-n3ccnc3)ncn2)C1 ZINC000607145639 507629757 /nfs/dbraw/zinc/62/97/57/507629757.db2.gz NFANYWDXNFDWPD-AWEZNQCLSA-N 2 1 370.407 3.017 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614836529 507670370 /nfs/dbraw/zinc/67/03/70/507670370.db2.gz VQHSGBKTGYVAST-BAGYTPMASA-N 2 1 369.553 3.026 20 0 FGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000614959689 507704793 /nfs/dbraw/zinc/70/47/93/507704793.db2.gz GYPFHRYKHZDHRM-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000614959689 507704800 /nfs/dbraw/zinc/70/48/00/507704800.db2.gz GYPFHRYKHZDHRM-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000614959689 507704805 /nfs/dbraw/zinc/70/48/05/507704805.db2.gz GYPFHRYKHZDHRM-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000614959689 507704809 /nfs/dbraw/zinc/70/48/09/507704809.db2.gz GYPFHRYKHZDHRM-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP O[C@]1(C[NH2+]Cc2ccccc2N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366578 507705796 /nfs/dbraw/zinc/70/57/96/507705796.db2.gz OYQJKLBMKRFFCC-QHCPKHFHSA-N 2 1 365.521 3.013 20 0 FGADMP O[C@]1(C[NH2+]Cc2ccccc2N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366578 507705803 /nfs/dbraw/zinc/70/58/03/507705803.db2.gz OYQJKLBMKRFFCC-QHCPKHFHSA-N 2 1 365.521 3.013 20 0 FGADMP COc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962524 507706143 /nfs/dbraw/zinc/70/61/43/507706143.db2.gz LFJZBVNEBXJYQW-UXHICEINSA-N 2 1 359.558 3.473 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCc3ccc(C)c(C)c3)CC2)CC1 ZINC000618165553 568143969 /nfs/dbraw/zinc/14/39/69/568143969.db2.gz ZZDNPRZUUCUGPH-UHFFFAOYSA-N 2 1 371.569 3.158 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000820112556 606408519 /nfs/dbraw/zinc/40/85/19/606408519.db2.gz YERVOLYDPFQQHO-UHFFFAOYSA-N 2 1 356.499 3.058 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936015 608496880 /nfs/dbraw/zinc/49/68/80/608496880.db2.gz DMHRKGMDXZNHSU-KXBFYZLASA-N 2 1 354.502 3.098 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261873 608524264 /nfs/dbraw/zinc/52/42/64/608524264.db2.gz SNQSQFNPCKPVJM-OXQOHEQNSA-N 2 1 368.529 3.202 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824530624 609350614 /nfs/dbraw/zinc/35/06/14/609350614.db2.gz MINBKFWLNUCBDE-HDMKZQKVSA-N 2 1 354.502 3.170 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(Cl)c2)C(C)C)CC1 ZINC000047959107 695871472 /nfs/dbraw/zinc/87/14/72/695871472.db2.gz GTKQXUSLPSQLHB-UHFFFAOYSA-N 2 1 351.922 3.151 20 0 FGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000131600668 700817232 /nfs/dbraw/zinc/81/72/32/700817232.db2.gz SCAOXGLYWPZILN-XNHLSEOASA-N 2 1 351.535 3.333 20 0 FGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000131600668 700817235 /nfs/dbraw/zinc/81/72/35/700817235.db2.gz SCAOXGLYWPZILN-XNHLSEOASA-N 2 1 351.535 3.333 20 0 FGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000131600668 700817240 /nfs/dbraw/zinc/81/72/40/700817240.db2.gz SCAOXGLYWPZILN-XNHLSEOASA-N 2 1 351.535 3.333 20 0 FGADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@@H](C)[NH2+]CCC[NH+](C)C ZINC000134661170 704829324 /nfs/dbraw/zinc/82/93/24/704829324.db2.gz YACXKICSTHAWGM-CQSZACIVSA-N 2 1 350.507 3.017 20 0 FGADMP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@@H](C)C1 ZINC000192801023 712873870 /nfs/dbraw/zinc/87/38/70/712873870.db2.gz NRSGOUXWCSXVNN-QWHCGFSZSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@@H](C)C1 ZINC000192801023 712873872 /nfs/dbraw/zinc/87/38/72/712873872.db2.gz NRSGOUXWCSXVNN-QWHCGFSZSA-N 2 1 353.388 3.145 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195208042 713549512 /nfs/dbraw/zinc/54/95/12/713549512.db2.gz BIMHEYQEHRJXNH-LJQANCHMSA-N 2 1 350.507 3.208 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420312 713605024 /nfs/dbraw/zinc/60/50/24/713605024.db2.gz HMENNNJJZLMANN-KSZLIROESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420312 713605026 /nfs/dbraw/zinc/60/50/26/713605026.db2.gz HMENNNJJZLMANN-KSZLIROESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420312 713605028 /nfs/dbraw/zinc/60/50/28/713605028.db2.gz HMENNNJJZLMANN-KSZLIROESA-N 2 1 353.551 3.296 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885006 713613199 /nfs/dbraw/zinc/61/31/99/713613199.db2.gz OKBWXXQWXXOKFG-FGTMMUONSA-N 2 1 353.551 3.390 20 0 FGADMP Cc1cnc(CC[NH+](C)C/C=C\C[N@@H+](C)CCc2ncc(C)s2)s1 ZINC000255872461 713708748 /nfs/dbraw/zinc/70/87/48/713708748.db2.gz MVHBEZSRAPAWAD-WAYWQWQTSA-N 2 1 364.584 3.421 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000317840128 713808194 /nfs/dbraw/zinc/80/81/94/713808194.db2.gz XKUCNGNQDCSYBR-SYNTWQANSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000317840128 713808199 /nfs/dbraw/zinc/80/81/99/713808199.db2.gz XKUCNGNQDCSYBR-SYNTWQANSA-N 2 1 365.315 3.148 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000385979340 713984263 /nfs/dbraw/zinc/98/42/63/713984263.db2.gz NWBRRJIRQYMPMU-SQGPQFPESA-N 2 1 351.535 3.240 20 0 FGADMP CCCC[C@@H](CC)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000438127681 714028257 /nfs/dbraw/zinc/02/82/57/714028257.db2.gz NHVZEEPEKXJENZ-LJQANCHMSA-N 2 1 351.579 3.469 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H]1c1ccccc1 ZINC000453241283 714057459 /nfs/dbraw/zinc/05/74/59/714057459.db2.gz UEQDSLSUOSSWIC-QUDVFMAMSA-N 2 1 364.555 3.015 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H]1c1ccccc1 ZINC000453241283 714057463 /nfs/dbraw/zinc/05/74/63/714057463.db2.gz UEQDSLSUOSSWIC-QUDVFMAMSA-N 2 1 364.555 3.015 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000464860419 714074807 /nfs/dbraw/zinc/07/48/07/714074807.db2.gz ZXGDYQIXNJBTQO-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CCC[C@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860419 714074810 /nfs/dbraw/zinc/07/48/10/714074810.db2.gz ZXGDYQIXNJBTQO-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CCC[C@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860419 714074813 /nfs/dbraw/zinc/07/48/13/714074813.db2.gz ZXGDYQIXNJBTQO-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521895117 714154686 /nfs/dbraw/zinc/15/46/86/714154686.db2.gz CHKQDVGNSZWGJY-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000521895117 714154687 /nfs/dbraw/zinc/15/46/87/714154687.db2.gz CHKQDVGNSZWGJY-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000521895117 714154688 /nfs/dbraw/zinc/15/46/88/714154688.db2.gz CHKQDVGNSZWGJY-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603217 714194989 /nfs/dbraw/zinc/19/49/89/714194989.db2.gz PCAXNGVGJIGIRS-IRXDYDNUSA-N 2 1 354.583 3.163 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cc(Cl)cs1 ZINC000522956320 714213527 /nfs/dbraw/zinc/21/35/27/714213527.db2.gz WCLPMFQEZSPZNA-MRXNPFEDSA-N 2 1 371.978 3.209 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000523202791 714222674 /nfs/dbraw/zinc/22/26/74/714222674.db2.gz ASNQXMWPOOYVRS-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372963 714457515 /nfs/dbraw/zinc/45/75/15/714457515.db2.gz MQKJVSBCLXZURR-ZVZYQTTQSA-N 2 1 355.448 3.257 20 0 FGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372963 714457516 /nfs/dbraw/zinc/45/75/16/714457516.db2.gz MQKJVSBCLXZURR-ZVZYQTTQSA-N 2 1 355.448 3.257 20 0 FGADMP Cc1c2ccc(F)cc2sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507577 714663179 /nfs/dbraw/zinc/66/31/79/714663179.db2.gz AVLBHFWGZVUTOK-ZDUSSCGKSA-N 2 1 365.518 3.351 20 0 FGADMP Cc1c2ccc(F)cc2sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507577 714663183 /nfs/dbraw/zinc/66/31/83/714663183.db2.gz AVLBHFWGZVUTOK-ZDUSSCGKSA-N 2 1 365.518 3.351 20 0 FGADMP Brc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)[C@H]2CCCO2)cc1 ZINC000643545118 718038839 /nfs/dbraw/zinc/03/88/39/718038839.db2.gz UZRZPQVKLUGKTJ-SJORKVTESA-N 2 1 353.304 3.401 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccsc2Br)CC1 ZINC000623356800 715317677 /nfs/dbraw/zinc/31/76/77/715317677.db2.gz HZMYPSQJPPTGLS-UHFFFAOYSA-N 2 1 360.365 3.018 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623625064 715374136 /nfs/dbraw/zinc/37/41/36/715374136.db2.gz IOHIGJWSFPRHNP-BHIYHBOVSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623625064 715374142 /nfs/dbraw/zinc/37/41/42/715374142.db2.gz IOHIGJWSFPRHNP-BHIYHBOVSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120664 715477378 /nfs/dbraw/zinc/47/73/78/715477378.db2.gz DPCQKGXKXCDBMD-SJORKVTESA-N 2 1 365.949 3.399 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132023 724394084 /nfs/dbraw/zinc/39/40/84/724394084.db2.gz XCTANHWIWKUYQI-ROUUACIJSA-N 2 1 353.551 3.344 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Cn1c[nH+]cc1C ZINC000628075074 716105854 /nfs/dbraw/zinc/10/58/54/716105854.db2.gz RHBUNANQQNMSAI-UHFFFAOYSA-N 2 1 362.905 3.216 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628280232 716134331 /nfs/dbraw/zinc/13/43/31/716134331.db2.gz WTIJFCYTIDQYHV-HNNXBMFYSA-N 2 1 352.320 3.316 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969539 716194024 /nfs/dbraw/zinc/19/40/24/716194024.db2.gz ULAFLODURHVKCH-WBMJQRKESA-N 2 1 358.313 3.054 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000628969640 716194033 /nfs/dbraw/zinc/19/40/33/716194033.db2.gz WDQCCQAQEBHMJX-MRXNPFEDSA-N 2 1 358.313 3.197 20 0 FGADMP C[NH2+]CCOCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000629530533 716303803 /nfs/dbraw/zinc/30/38/03/716303803.db2.gz JHOJWXJIJSNUPD-INIZCTEOSA-N 2 1 371.250 3.096 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634953192 717134811 /nfs/dbraw/zinc/13/48/11/717134811.db2.gz UQDLLCVGEYCSNH-PXNSSMCTSA-N 2 1 364.555 3.118 20 0 FGADMP FC(F)(F)c1cccc(CN2CCC([NH2+]CC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634996598 717139241 /nfs/dbraw/zinc/13/92/41/717139241.db2.gz ORKCNFQISAUQQF-UHFFFAOYSA-N 2 1 353.432 3.011 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H](C)C(C)(C)C)CC2)CC1 ZINC000636429433 717283252 /nfs/dbraw/zinc/28/32/52/717283252.db2.gz HJHPOCAAECIVDH-KRWDZBQOSA-N 2 1 351.579 3.323 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639062275 717510328 /nfs/dbraw/zinc/51/03/28/717510328.db2.gz WVJUUZMMLJTGJG-AZUAARDMSA-N 2 1 364.555 3.159 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639062275 717510335 /nfs/dbraw/zinc/51/03/35/717510335.db2.gz WVJUUZMMLJTGJG-AZUAARDMSA-N 2 1 364.555 3.159 20 0 FGADMP C[C@H]1OCC[C@@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646325 717584757 /nfs/dbraw/zinc/58/47/57/717584757.db2.gz ORPQOAAEILWMCP-FDKIHUSFSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@H]1OCC[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646325 717584762 /nfs/dbraw/zinc/58/47/62/717584762.db2.gz ORPQOAAEILWMCP-FDKIHUSFSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@H]1OCC[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646325 717584769 /nfs/dbraw/zinc/58/47/69/717584769.db2.gz ORPQOAAEILWMCP-FDKIHUSFSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757694 717599071 /nfs/dbraw/zinc/59/90/71/717599071.db2.gz ONFMLDIFVRHHFT-CYBMUJFWSA-N 2 1 353.869 3.224 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757694 717599075 /nfs/dbraw/zinc/59/90/75/717599075.db2.gz ONFMLDIFVRHHFT-CYBMUJFWSA-N 2 1 353.869 3.224 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000640533507 717760937 /nfs/dbraw/zinc/76/09/37/717760937.db2.gz TYUXESGAKZQFLK-UHFFFAOYSA-N 2 1 351.579 3.469 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000644424118 718110926 /nfs/dbraw/zinc/11/09/26/718110926.db2.gz UKSYHMDVFUFWAX-NRSFXHEJSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@](O)(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000644424118 718110929 /nfs/dbraw/zinc/11/09/29/718110929.db2.gz UKSYHMDVFUFWAX-NRSFXHEJSA-N 2 1 356.432 3.475 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000644525386 718119209 /nfs/dbraw/zinc/11/92/09/718119209.db2.gz CPQFTRPPWDRXAQ-OCCSQVGLSA-N 2 1 372.296 3.164 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000644585921 718129060 /nfs/dbraw/zinc/12/90/60/718129060.db2.gz JPUNJCSHDLOOFP-FGTMMUONSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000644585921 718129062 /nfs/dbraw/zinc/12/90/62/718129062.db2.gz JPUNJCSHDLOOFP-FGTMMUONSA-N 2 1 358.448 3.438 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c(Br)cc1O ZINC000647361069 718352368 /nfs/dbraw/zinc/35/23/68/718352368.db2.gz CQNJZXMFKGLWAS-CFVMTHIKSA-N 2 1 369.303 3.126 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(Br)cc1O ZINC000647361069 718352369 /nfs/dbraw/zinc/35/23/69/718352369.db2.gz CQNJZXMFKGLWAS-CFVMTHIKSA-N 2 1 369.303 3.126 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976221 718391165 /nfs/dbraw/zinc/39/11/65/718391165.db2.gz LRESLCGWAJOMDU-KBPBESRZSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976221 718391166 /nfs/dbraw/zinc/39/11/66/718391166.db2.gz LRESLCGWAJOMDU-KBPBESRZSA-N 2 1 360.889 3.200 20 0 FGADMP FC(F)Oc1cccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647990200 718392968 /nfs/dbraw/zinc/39/29/68/718392968.db2.gz FJOWHOAVCFUOKJ-GOSISDBHSA-N 2 1 354.441 3.441 20 0 FGADMP FC(F)Oc1cccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647990200 718392970 /nfs/dbraw/zinc/39/29/70/718392970.db2.gz FJOWHOAVCFUOKJ-GOSISDBHSA-N 2 1 354.441 3.441 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1Cc1noc(-c3c(F)cccc3Cl)n1)CC[NH2+]CC2 ZINC000647995435 718393098 /nfs/dbraw/zinc/39/30/98/718393098.db2.gz YDJZAWYTQCTKKC-LBPRGKRZSA-N 2 1 364.852 3.493 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1noc(-c3c(F)cccc3Cl)n1)CC[NH2+]CC2 ZINC000647995435 718393100 /nfs/dbraw/zinc/39/31/00/718393100.db2.gz YDJZAWYTQCTKKC-LBPRGKRZSA-N 2 1 364.852 3.493 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705270 718716569 /nfs/dbraw/zinc/71/65/69/718716569.db2.gz ASOBALZSUJJYDI-UXIGCNINSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708444 718718236 /nfs/dbraw/zinc/71/82/36/718718236.db2.gz ZPVVGPRVOSLIFC-AHIWAGSCSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)c(F)c1 ZINC000650718816 718719527 /nfs/dbraw/zinc/71/95/27/718719527.db2.gz WYIDNHFDPWHMHM-UHFFFAOYSA-N 2 1 367.218 3.065 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000650721883 718720009 /nfs/dbraw/zinc/72/00/09/718720009.db2.gz FAHYUVNGDQGMHY-BNOWGMLFSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722659 718720750 /nfs/dbraw/zinc/72/07/50/718720750.db2.gz YTAGWNGZQYVFRJ-KBRIMQKVSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722659 718720753 /nfs/dbraw/zinc/72/07/53/718720753.db2.gz YTAGWNGZQYVFRJ-KBRIMQKVSA-N 2 1 371.294 3.449 20 0 FGADMP C[N@@H+](Cc1ccc(N2[C@@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1)C1CC1 ZINC001164413462 718881459 /nfs/dbraw/zinc/88/14/59/718881459.db2.gz ISHBAYVVWZHPKX-MRXNPFEDSA-N 2 1 368.447 3.329 20 0 FGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348478 718934830 /nfs/dbraw/zinc/93/48/30/718934830.db2.gz FKUFBPDHEAUPJY-DAYGRLMNSA-N 2 1 361.511 3.430 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362935 718936874 /nfs/dbraw/zinc/93/68/74/718936874.db2.gz SYQWOANSLMKLEB-IXDOHACOSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362935 718936876 /nfs/dbraw/zinc/93/68/76/718936876.db2.gz SYQWOANSLMKLEB-IXDOHACOSA-N 2 1 371.294 3.449 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164631049 719180883 /nfs/dbraw/zinc/18/08/83/719180883.db2.gz ADUJXSUMFMTPGN-ZWKOTPCHSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164631049 719180891 /nfs/dbraw/zinc/18/08/91/719180891.db2.gz ADUJXSUMFMTPGN-ZWKOTPCHSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164631049 719180900 /nfs/dbraw/zinc/18/09/00/719180900.db2.gz ADUJXSUMFMTPGN-ZWKOTPCHSA-N 2 1 350.510 3.169 20 0 FGADMP Clc1cnc(NCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655714744 719329057 /nfs/dbraw/zinc/32/90/57/719329057.db2.gz BZJDRPCSOASFME-HNNXBMFYSA-N 2 1 373.328 3.033 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551348 719407661 /nfs/dbraw/zinc/40/76/61/719407661.db2.gz JPMIUHMDLYHVFJ-DOTOQJQBSA-N 2 1 364.559 3.057 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2nccc3c(F)cccc32)c2c1CC[NH2+]C2 ZINC001164683638 719624833 /nfs/dbraw/zinc/62/48/33/719624833.db2.gz UGOBHQSAVWPYNR-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc3c(F)cccc32)c2c1CC[NH2+]C2 ZINC001164683638 719624837 /nfs/dbraw/zinc/62/48/37/719624837.db2.gz UGOBHQSAVWPYNR-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP Cc1c(Cl)cnc(Cl)c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679779 719634999 /nfs/dbraw/zinc/63/49/99/719634999.db2.gz MUTNUDLOMXVYPR-UHFFFAOYSA-N 2 1 368.312 3.368 20 0 FGADMP Cc1c(Cl)cnc(Cl)c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679779 719635001 /nfs/dbraw/zinc/63/50/01/719635001.db2.gz MUTNUDLOMXVYPR-UHFFFAOYSA-N 2 1 368.312 3.368 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@H+](CCC[NH+]2CCCCC2)C2CC2)C1 ZINC000781901283 724609311 /nfs/dbraw/zinc/60/93/11/724609311.db2.gz RXSPPHSEMLDSEH-GOSISDBHSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H]([N@@H+](CCC[NH+]2CCCCC2)C2CC2)C1 ZINC000781901283 724609318 /nfs/dbraw/zinc/60/93/18/724609318.db2.gz RXSPPHSEMLDSEH-GOSISDBHSA-N 2 1 351.535 3.336 20 0 FGADMP C[C@]1(O)CCC[NH+](CCCCCCCCC[N@@H+]2CCC[C@](C)(O)C2)C1 ZINC000781903673 724610055 /nfs/dbraw/zinc/61/00/55/724610055.db2.gz GJSFAPDMVBWCGF-SFTDATJTSA-N 2 1 354.579 3.411 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657924541 719731688 /nfs/dbraw/zinc/73/16/88/719731688.db2.gz BHJLJKUVRXZXPB-MORSLUCNSA-N 2 1 353.457 3.438 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781983831 724617708 /nfs/dbraw/zinc/61/77/08/724617708.db2.gz HFOSZXOGMFGPTO-QGZVFWFLSA-N 2 1 350.507 3.159 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C(C)C)C1 ZINC000781983831 724617710 /nfs/dbraw/zinc/61/77/10/724617710.db2.gz HFOSZXOGMFGPTO-QGZVFWFLSA-N 2 1 350.507 3.159 20 0 FGADMP COc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1Cl ZINC000660151713 719997850 /nfs/dbraw/zinc/99/78/50/719997850.db2.gz WHJAWCRNUQDBMT-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP C[C@@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660155204 719998562 /nfs/dbraw/zinc/99/85/62/719998562.db2.gz MMYHILCRGXOSGZ-CRAIPNDOSA-N 2 1 369.525 3.015 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660155204 719998566 /nfs/dbraw/zinc/99/85/66/719998566.db2.gz MMYHILCRGXOSGZ-CRAIPNDOSA-N 2 1 369.525 3.015 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338741 720033009 /nfs/dbraw/zinc/03/30/09/720033009.db2.gz LWZJAZDUXPHLBE-IAGOWNOFSA-N 2 1 366.575 3.303 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656127 720092945 /nfs/dbraw/zinc/09/29/45/720092945.db2.gz PZLIBCIZSPSSPY-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656127 720092952 /nfs/dbraw/zinc/09/29/52/720092952.db2.gz PZLIBCIZSPSSPY-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656127 720092954 /nfs/dbraw/zinc/09/29/54/720092954.db2.gz PZLIBCIZSPSSPY-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656127 720092960 /nfs/dbraw/zinc/09/29/60/720092960.db2.gz PZLIBCIZSPSSPY-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817222 720154938 /nfs/dbraw/zinc/15/49/38/720154938.db2.gz PAEAJMVHIZPUDA-UWJYYQICSA-N 2 1 354.498 3.056 20 0 FGADMP Clc1ccc(O[C@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257485 720405538 /nfs/dbraw/zinc/40/55/38/720405538.db2.gz CZWRCBZHBYTPDY-LSDHHAIUSA-N 2 1 371.308 3.358 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662281719 720409438 /nfs/dbraw/zinc/40/94/38/720409438.db2.gz LFKQGGMQKHDUDU-DOTOQJQBSA-N 2 1 358.404 3.145 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294599 720410929 /nfs/dbraw/zinc/41/09/29/720410929.db2.gz CPSAWXXLAKWKRA-HNNXBMFYSA-N 2 1 369.962 3.072 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000662321373 720415548 /nfs/dbraw/zinc/41/55/48/720415548.db2.gz HOJOHNGCNXLVPI-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000662321373 720415551 /nfs/dbraw/zinc/41/55/51/720415551.db2.gz HOJOHNGCNXLVPI-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422041 720427018 /nfs/dbraw/zinc/42/70/18/720427018.db2.gz ZBELNANQUQDOLH-MLGOLLRUSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422041 720427021 /nfs/dbraw/zinc/42/70/21/720427021.db2.gz ZBELNANQUQDOLH-MLGOLLRUSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498550 720435396 /nfs/dbraw/zinc/43/53/96/720435396.db2.gz QHFJZIRLNSOASC-CXAGYDPISA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498550 720435398 /nfs/dbraw/zinc/43/53/98/720435398.db2.gz QHFJZIRLNSOASC-CXAGYDPISA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662582918 720443423 /nfs/dbraw/zinc/44/34/23/720443423.db2.gz IDLPCKXMUOSRJL-KRWDZBQOSA-N 2 1 366.292 3.290 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662664334 720450942 /nfs/dbraw/zinc/45/09/42/720450942.db2.gz RPKBHCXFICIVRA-SFHVURJKSA-N 2 1 361.917 3.268 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662798045 720459603 /nfs/dbraw/zinc/45/96/03/720459603.db2.gz PUIPLBXIDKECHH-RDJZCZTQSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662798045 720459606 /nfs/dbraw/zinc/45/96/06/720459606.db2.gz PUIPLBXIDKECHH-RDJZCZTQSA-N 2 1 353.869 3.001 20 0 FGADMP CC[N@H+](CCCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000662828422 720462188 /nfs/dbraw/zinc/46/21/88/720462188.db2.gz JFJSHWDXFDMCOJ-SFHVURJKSA-N 2 1 353.457 3.126 20 0 FGADMP CC[N@@H+](CCCNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)C1CCCCC1 ZINC000662828422 720462189 /nfs/dbraw/zinc/46/21/89/720462189.db2.gz JFJSHWDXFDMCOJ-SFHVURJKSA-N 2 1 353.457 3.126 20 0 FGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c([nH+]3)CCC4)CC[C@@H]21 ZINC001164833591 720531224 /nfs/dbraw/zinc/53/12/24/720531224.db2.gz ANQJXBQBHISILI-DYXWJJEUSA-N 2 1 365.525 3.145 20 0 FGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc4c([nH+]3)CCC4)CC[C@@H]21 ZINC001164833591 720531228 /nfs/dbraw/zinc/53/12/28/720531228.db2.gz ANQJXBQBHISILI-DYXWJJEUSA-N 2 1 365.525 3.145 20 0 FGADMP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000668784947 721356389 /nfs/dbraw/zinc/35/63/89/721356389.db2.gz KZUXPLTYAXIMAO-QGZVFWFLSA-N 2 1 356.457 3.447 20 0 FGADMP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000668784947 721356394 /nfs/dbraw/zinc/35/63/94/721356394.db2.gz KZUXPLTYAXIMAO-QGZVFWFLSA-N 2 1 356.457 3.447 20 0 FGADMP Cc1nc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000676840014 721834843 /nfs/dbraw/zinc/83/48/43/721834843.db2.gz VMFJASGLTIRYCP-BBRMVZONSA-N 2 1 364.584 3.461 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000784251917 724836296 /nfs/dbraw/zinc/83/62/96/724836296.db2.gz JYPJFLBKCGHOKK-INIZCTEOSA-N 2 1 353.304 3.043 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)c1ccc(Br)cc1)CC2 ZINC000784251917 724836298 /nfs/dbraw/zinc/83/62/98/724836298.db2.gz JYPJFLBKCGHOKK-INIZCTEOSA-N 2 1 353.304 3.043 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC(F)F ZINC000685463071 722386237 /nfs/dbraw/zinc/38/62/37/722386237.db2.gz BFDHIKWCLGFPNS-MRXNPFEDSA-N 2 1 354.441 3.460 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000709283449 722412818 /nfs/dbraw/zinc/41/28/18/722412818.db2.gz DKBHZRPBLMCYMO-DDBAPUKQSA-N 2 1 351.535 3.237 20 0 FGADMP OC1(CC[NH2+]Cc2ncc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000718002635 722417902 /nfs/dbraw/zinc/41/79/02/722417902.db2.gz HDBLXBXAHCCCLV-UHFFFAOYSA-N 2 1 365.930 3.303 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000796358604 723634398 /nfs/dbraw/zinc/63/43/98/723634398.db2.gz OZPZVDGQRUETDJ-CQSZACIVSA-N 2 1 368.547 3.084 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796523978 723641539 /nfs/dbraw/zinc/64/15/39/723641539.db2.gz WQYOJSPBKSCCDV-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000796523978 723641540 /nfs/dbraw/zinc/64/15/40/723641540.db2.gz WQYOJSPBKSCCDV-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CN3CCC[C@@H]3CO1)CCCO2 ZINC000768511834 723659740 /nfs/dbraw/zinc/65/97/40/723659740.db2.gz KEVGBMUUADDRMA-IIDMSEBBSA-N 2 1 350.890 3.315 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000796947191 723660448 /nfs/dbraw/zinc/66/04/48/723660448.db2.gz IXFSCVZLNQQOFE-ZJPYXAASSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000769466585 723686419 /nfs/dbraw/zinc/68/64/19/723686419.db2.gz MKKHQTQPBJKYSV-MSOLQXFVSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000769466585 723686420 /nfs/dbraw/zinc/68/64/20/723686420.db2.gz MKKHQTQPBJKYSV-MSOLQXFVSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000769466586 723686450 /nfs/dbraw/zinc/68/64/50/723686450.db2.gz MKKHQTQPBJKYSV-ROUUACIJSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000769466586 723686451 /nfs/dbraw/zinc/68/64/51/723686451.db2.gz MKKHQTQPBJKYSV-ROUUACIJSA-N 2 1 351.535 3.336 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000774992824 723949411 /nfs/dbraw/zinc/94/94/11/723949411.db2.gz UVKKNPDQIMIWOZ-KRWDZBQOSA-N 2 1 355.320 3.084 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801923820 724346258 /nfs/dbraw/zinc/34/62/58/724346258.db2.gz FVOYVVFEUMCIQN-QGZVFWFLSA-N 2 1 353.551 3.440 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801923820 724346260 /nfs/dbraw/zinc/34/62/60/724346260.db2.gz FVOYVVFEUMCIQN-QGZVFWFLSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000801925034 724346308 /nfs/dbraw/zinc/34/63/08/724346308.db2.gz YQVCKAHIJNASOC-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000801925034 724346312 /nfs/dbraw/zinc/34/63/12/724346312.db2.gz YQVCKAHIJNASOC-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925034 724346318 /nfs/dbraw/zinc/34/63/18/724346318.db2.gz YQVCKAHIJNASOC-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925034 724346321 /nfs/dbraw/zinc/34/63/21/724346321.db2.gz YQVCKAHIJNASOC-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443378 724912903 /nfs/dbraw/zinc/91/29/03/724912903.db2.gz IMHQCTYBOIFLQE-ZWKOTPCHSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443378 724912906 /nfs/dbraw/zinc/91/29/06/724912906.db2.gz IMHQCTYBOIFLQE-ZWKOTPCHSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ncc(C[NH+](C)C)s1 ZINC000809581740 725249517 /nfs/dbraw/zinc/24/95/17/725249517.db2.gz OCWMGYSJNIRAHJ-QGZVFWFLSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ncc(C[NH+](C)C)s1 ZINC000809581740 725249519 /nfs/dbraw/zinc/24/95/19/725249519.db2.gz OCWMGYSJNIRAHJ-QGZVFWFLSA-N 2 1 358.555 3.301 20 0 FGADMP O=C(NC1CCCC1)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000810036267 725283767 /nfs/dbraw/zinc/28/37/67/725283767.db2.gz ZIPIKLBGKABFEN-LJQANCHMSA-N 2 1 351.535 3.386 20 0 FGADMP O=C(NC1CCCC1)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000810036267 725283768 /nfs/dbraw/zinc/28/37/68/725283768.db2.gz ZIPIKLBGKABFEN-LJQANCHMSA-N 2 1 351.535 3.386 20 0 FGADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[N@@H+]1C ZINC000811357974 725359079 /nfs/dbraw/zinc/35/90/79/725359079.db2.gz JWDJUSJSTRATOM-STQMWFEESA-N 2 1 368.319 3.180 20 0 FGADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[N@H+]1C ZINC000811357974 725359081 /nfs/dbraw/zinc/35/90/81/725359081.db2.gz JWDJUSJSTRATOM-STQMWFEESA-N 2 1 368.319 3.180 20 0 FGADMP C[N@@H+](CCOC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448562 725365951 /nfs/dbraw/zinc/36/59/51/725365951.db2.gz XFHKKXWIRHWDRN-LJQANCHMSA-N 2 1 354.441 3.013 20 0 FGADMP C[NH+](CCOC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448562 725365953 /nfs/dbraw/zinc/36/59/53/725365953.db2.gz XFHKKXWIRHWDRN-LJQANCHMSA-N 2 1 354.441 3.013 20 0 FGADMP C[NH+](CCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448562 725365957 /nfs/dbraw/zinc/36/59/57/725365957.db2.gz XFHKKXWIRHWDRN-LJQANCHMSA-N 2 1 354.441 3.013 20 0 FGADMP CC(C)C[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642508 727183825 /nfs/dbraw/zinc/18/38/25/727183825.db2.gz BIVGEIGJSAWLSB-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642508 727183828 /nfs/dbraw/zinc/18/38/28/727183828.db2.gz BIVGEIGJSAWLSB-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642508 727183830 /nfs/dbraw/zinc/18/38/30/727183830.db2.gz BIVGEIGJSAWLSB-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642508 727183832 /nfs/dbraw/zinc/18/38/32/727183832.db2.gz BIVGEIGJSAWLSB-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286830 727236305 /nfs/dbraw/zinc/23/63/05/727236305.db2.gz NFQUVPYNZYSQCY-KRWDZBQOSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000818985784 727334853 /nfs/dbraw/zinc/33/48/53/727334853.db2.gz VYEOARFCKIYSJR-WMLDXEAASA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819181792 727355404 /nfs/dbraw/zinc/35/54/04/727355404.db2.gz BAWMKILPXJPTKS-QAPCUYQASA-N 2 1 369.347 3.440 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822451569 729176432 /nfs/dbraw/zinc/17/64/32/729176432.db2.gz MDJDWUDVBKFKID-VYDXJSESSA-N 2 1 350.507 3.205 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659712 729296951 /nfs/dbraw/zinc/29/69/51/729296951.db2.gz OGKJRAHTMNBHCV-ZJPYXAASSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659712 729296953 /nfs/dbraw/zinc/29/69/53/729296953.db2.gz OGKJRAHTMNBHCV-ZJPYXAASSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000824559765 729347169 /nfs/dbraw/zinc/34/71/69/729347169.db2.gz YROXNOVOHDOTLM-WMZOPIPTSA-N 2 1 353.551 3.342 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc(Cl)n1 ZINC000827103211 729424244 /nfs/dbraw/zinc/42/42/44/729424244.db2.gz GUILKUUOSWDOMA-NVXWUHKLSA-N 2 1 366.937 3.204 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522428 729648807 /nfs/dbraw/zinc/64/88/07/729648807.db2.gz MGONBEUNVQKHGO-AOIWGVFYSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522428 729648809 /nfs/dbraw/zinc/64/88/09/729648809.db2.gz MGONBEUNVQKHGO-AOIWGVFYSA-N 2 1 367.896 3.247 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508759 729808469 /nfs/dbraw/zinc/80/84/69/729808469.db2.gz QGJVHUTVIFZPAZ-SZMVWBNQSA-N 2 1 351.535 3.238 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513343 729808926 /nfs/dbraw/zinc/80/89/26/729808926.db2.gz KYBYIXLCGXZHLA-MHORFTMASA-N 2 1 351.535 3.381 20 0 FGADMP C[N@@H+](CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CC1 ZINC000834909095 729845567 /nfs/dbraw/zinc/84/55/67/729845567.db2.gz LAMGBODMJOCPMO-ZNXRZULTSA-N 2 1 351.535 3.381 20 0 FGADMP C[N@H+](CC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000840397572 730142228 /nfs/dbraw/zinc/14/22/28/730142228.db2.gz XWFKIXXGOIKSNB-LJQANCHMSA-N 2 1 362.539 3.153 20 0 FGADMP C[N@@H+](CC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000840397572 730142231 /nfs/dbraw/zinc/14/22/31/730142231.db2.gz XWFKIXXGOIKSNB-LJQANCHMSA-N 2 1 362.539 3.153 20 0 FGADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108493 730586467 /nfs/dbraw/zinc/58/64/67/730586467.db2.gz OPGYIUNXWNCVTP-VDZJLULYSA-N 2 1 359.539 3.369 20 0 FGADMP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108493 730586471 /nfs/dbraw/zinc/58/64/71/730586471.db2.gz OPGYIUNXWNCVTP-VDZJLULYSA-N 2 1 359.539 3.369 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128402 730589317 /nfs/dbraw/zinc/58/93/17/730589317.db2.gz XGJDZPHUFLTKJS-RYUDHWBXSA-N 2 1 364.843 3.304 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128402 730589319 /nfs/dbraw/zinc/58/93/19/730589319.db2.gz XGJDZPHUFLTKJS-RYUDHWBXSA-N 2 1 364.843 3.304 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1SC(F)F ZINC000843386782 730612578 /nfs/dbraw/zinc/61/25/78/730612578.db2.gz LZQUGJIYYQXMAJ-CQSZACIVSA-N 2 1 369.481 3.261 20 0 FGADMP [NH3+]CCCCCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000846219927 730937446 /nfs/dbraw/zinc/93/74/46/730937446.db2.gz CHQRVXOTBMLBAD-UHFFFAOYSA-N 2 1 364.843 3.395 20 0 FGADMP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074203 731226107 /nfs/dbraw/zinc/22/61/07/731226107.db2.gz GIPOAACIHYYRKW-IACUBPJLSA-N 2 1 371.312 3.032 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000849349507 731251160 /nfs/dbraw/zinc/25/11/60/731251160.db2.gz BSGUEFXZAKENSL-GFCCVEGCSA-N 2 1 364.843 3.304 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000849349507 731251161 /nfs/dbraw/zinc/25/11/61/731251161.db2.gz BSGUEFXZAKENSL-GFCCVEGCSA-N 2 1 364.843 3.304 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cncs3)C2)ccn1 ZINC000856607016 732040766 /nfs/dbraw/zinc/04/07/66/732040766.db2.gz SMUSVUKQWXCRTG-SFHVURJKSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cncs3)C2)ccn1 ZINC000856607016 732040768 /nfs/dbraw/zinc/04/07/68/732040768.db2.gz SMUSVUKQWXCRTG-SFHVURJKSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cncs3)C2)ccn1 ZINC000856607016 732040775 /nfs/dbraw/zinc/04/07/75/732040775.db2.gz SMUSVUKQWXCRTG-SFHVURJKSA-N 2 1 360.527 3.074 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1CC[Si](C)(C)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000859205136 732289609 /nfs/dbraw/zinc/28/96/09/732289609.db2.gz VQBMZFAYDNPYBE-YRPNKDGESA-N 2 1 370.654 3.165 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205136 732289611 /nfs/dbraw/zinc/28/96/11/732289611.db2.gz VQBMZFAYDNPYBE-YRPNKDGESA-N 2 1 370.654 3.165 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1CC[Si](C)(C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205136 732289614 /nfs/dbraw/zinc/28/96/14/732289614.db2.gz VQBMZFAYDNPYBE-YRPNKDGESA-N 2 1 370.654 3.165 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1CC[Si](C)(C)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000859205133 732289810 /nfs/dbraw/zinc/28/98/10/732289810.db2.gz VQBMZFAYDNPYBE-FGYAAKKASA-N 2 1 370.654 3.165 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205133 732289811 /nfs/dbraw/zinc/28/98/11/732289811.db2.gz VQBMZFAYDNPYBE-FGYAAKKASA-N 2 1 370.654 3.165 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1CC[Si](C)(C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205133 732289814 /nfs/dbraw/zinc/28/98/14/732289814.db2.gz VQBMZFAYDNPYBE-FGYAAKKASA-N 2 1 370.654 3.165 20 0 FGADMP C[C@]1(O)CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000859285575 732304099 /nfs/dbraw/zinc/30/40/99/732304099.db2.gz ZICQIINDKTUZGU-PMACEKPBSA-N 2 1 370.654 3.169 20 0 FGADMP O[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)[C@@H]1c1ccc(Br)cc1 ZINC000863564677 732977293 /nfs/dbraw/zinc/97/72/93/732977293.db2.gz YEBWLKRAHAGKPH-QZTJIDSGSA-N 2 1 367.331 3.337 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866261158 733330525 /nfs/dbraw/zinc/33/05/25/733330525.db2.gz QGHBAKBBYYGCAE-AWEZNQCLSA-N 2 1 350.894 3.159 20 0 FGADMP C[NH+]1CCC([NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872017888 735576699 /nfs/dbraw/zinc/57/66/99/735576699.db2.gz GIDLCPALQMAHLU-WMLDXEAASA-N 2 1 353.304 3.211 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)c2cccs2)CC1 ZINC000872016954 735576721 /nfs/dbraw/zinc/57/67/21/735576721.db2.gz RGDGYCKHBXNSMS-MSOLQXFVSA-N 2 1 363.571 3.118 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128899 735593470 /nfs/dbraw/zinc/59/34/70/735593470.db2.gz NIOJONYLTAOMGQ-YVSFHVDLSA-N 2 1 351.535 3.237 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2)n1 ZINC000872151788 735596537 /nfs/dbraw/zinc/59/65/37/735596537.db2.gz MWKTUDISOPQZPQ-WBVHZDCISA-N 2 1 352.404 3.058 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C3)cc2)n1 ZINC000872151788 735596540 /nfs/dbraw/zinc/59/65/40/735596540.db2.gz MWKTUDISOPQZPQ-WBVHZDCISA-N 2 1 352.404 3.058 20 0 FGADMP Cc1sc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1Br ZINC000873055160 735714987 /nfs/dbraw/zinc/71/49/87/735714987.db2.gz DXCFXGWUQIEVGZ-ZDUSSCGKSA-N 2 1 373.360 3.410 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)CC(F)(F)F ZINC000873208623 735737796 /nfs/dbraw/zinc/73/77/96/735737796.db2.gz YNHYKCGILNTOAZ-ZDUSSCGKSA-N 2 1 361.477 3.100 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000877190846 736197128 /nfs/dbraw/zinc/19/71/28/736197128.db2.gz BDTXIBYDWJDCEV-WEVXLUSXSA-N 2 1 368.458 3.066 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(c3ccc(F)cc3F)C2)CC1 ZINC000892562517 740017376 /nfs/dbraw/zinc/01/73/76/740017376.db2.gz FXHAAYRXCPXTPH-UHFFFAOYSA-N 2 1 351.485 3.218 20 0 FGADMP CO[C@H]1C[C@@H](C[NH+]2CCCC3(CCC[N@H+](C[C@H]4C[C@@H](OC)C4)C3)C2)C1 ZINC000878629323 736901754 /nfs/dbraw/zinc/90/17/54/736901754.db2.gz VDUQOAIREGAVPW-KGLOJCAVSA-N 2 1 350.547 3.014 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582514 737011084 /nfs/dbraw/zinc/01/10/84/737011084.db2.gz SEHYKCSAFYKIID-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582514 737011088 /nfs/dbraw/zinc/01/10/88/737011088.db2.gz SEHYKCSAFYKIID-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000879582514 737011094 /nfs/dbraw/zinc/01/10/94/737011094.db2.gz SEHYKCSAFYKIID-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP COC(=O)c1cnc(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000880272325 737145862 /nfs/dbraw/zinc/14/58/62/737145862.db2.gz QGGDGRAOLMNYIF-MRXNPFEDSA-N 2 1 365.543 3.059 20 0 FGADMP COC(=O)c1cnc(CC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000880272325 737145864 /nfs/dbraw/zinc/14/58/64/737145864.db2.gz QGGDGRAOLMNYIF-MRXNPFEDSA-N 2 1 365.543 3.059 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCc2ccccc2Br)C1 ZINC000883435587 737566386 /nfs/dbraw/zinc/56/63/86/737566386.db2.gz WRRBBYRSPMFGCF-NXHRZFHOSA-N 2 1 367.331 3.352 20 0 FGADMP Cn1cc(Br)c(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n1 ZINC000886618960 739276297 /nfs/dbraw/zinc/27/62/97/739276297.db2.gz PIJZIIIUSANOBB-UHFFFAOYSA-N 2 1 355.324 3.069 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC[NH+]1CCCCC1 ZINC000892461251 740003144 /nfs/dbraw/zinc/00/31/44/740003144.db2.gz FKJHOKXCFFKFIM-UHFFFAOYSA-N 2 1 368.319 3.373 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892608983 740022189 /nfs/dbraw/zinc/02/21/89/740022189.db2.gz SYMXLXSRLVAVDU-HZPDHXFCSA-N 2 1 366.303 3.124 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892608983 740022196 /nfs/dbraw/zinc/02/21/96/740022196.db2.gz SYMXLXSRLVAVDU-HZPDHXFCSA-N 2 1 366.303 3.124 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894550629 742297853 /nfs/dbraw/zinc/29/78/53/742297853.db2.gz ZSDMNWKQFWDJIC-LXTVHRRPSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894550629 742297854 /nfs/dbraw/zinc/29/78/54/742297854.db2.gz ZSDMNWKQFWDJIC-LXTVHRRPSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894550627 742297879 /nfs/dbraw/zinc/29/78/79/742297879.db2.gz ZSDMNWKQFWDJIC-BARDWOONSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894550627 742297881 /nfs/dbraw/zinc/29/78/81/742297881.db2.gz ZSDMNWKQFWDJIC-BARDWOONSA-N 2 1 352.441 3.215 20 0 FGADMP CCO/C=C\[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000895709595 742444182 /nfs/dbraw/zinc/44/41/82/742444182.db2.gz HBBGEIRDNOKAQY-QFSNBGPKSA-N 2 1 364.452 3.217 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845266 742461968 /nfs/dbraw/zinc/46/19/68/742461968.db2.gz URYLMNHTCJDUNH-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845266 742461970 /nfs/dbraw/zinc/46/19/70/742461970.db2.gz URYLMNHTCJDUNH-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845266 742461974 /nfs/dbraw/zinc/46/19/74/742461974.db2.gz URYLMNHTCJDUNH-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)s1 ZINC000896930830 742617104 /nfs/dbraw/zinc/61/71/04/742617104.db2.gz BQQSSRNKFPSONB-HOCLYGCPSA-N 2 1 365.543 3.105 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@@H]1c1cccs1 ZINC000900829723 743180577 /nfs/dbraw/zinc/18/05/77/743180577.db2.gz XNKVZTWGDCHEMD-VUHPKUFZSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@@H]1c1cccs1 ZINC000900829723 743180583 /nfs/dbraw/zinc/18/05/83/743180583.db2.gz XNKVZTWGDCHEMD-VUHPKUFZSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@@H]1c1cccs1 ZINC000900829723 743180589 /nfs/dbraw/zinc/18/05/89/743180589.db2.gz XNKVZTWGDCHEMD-VUHPKUFZSA-N 2 1 361.555 3.264 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902794457 743776391 /nfs/dbraw/zinc/77/63/91/743776391.db2.gz WAKYMRCHNRNZII-AWEZNQCLSA-N 2 1 358.452 3.025 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902832360 743778701 /nfs/dbraw/zinc/77/87/01/743778701.db2.gz UMKVLAAKFGFWSC-TZIWHRDSSA-N 2 1 352.563 3.451 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000903293462 743834954 /nfs/dbraw/zinc/83/49/54/743834954.db2.gz SMIQQLCUZBINGF-DZKIICNBSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000903293462 743834958 /nfs/dbraw/zinc/83/49/58/743834958.db2.gz SMIQQLCUZBINGF-DZKIICNBSA-N 2 1 351.288 3.489 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460440 743853044 /nfs/dbraw/zinc/85/30/44/743853044.db2.gz CKQIPCDIGKOLAF-FVQBIDKESA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460440 743853049 /nfs/dbraw/zinc/85/30/49/743853049.db2.gz CKQIPCDIGKOLAF-FVQBIDKESA-N 2 1 371.294 3.449 20 0 FGADMP Fc1ccc([C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769291 743881889 /nfs/dbraw/zinc/88/18/89/743881889.db2.gz BQGSJDGWTQLZBO-IRXDYDNUSA-N 2 1 350.453 3.303 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969829 743906557 /nfs/dbraw/zinc/90/65/57/743906557.db2.gz LXNFTMXFGUDDEF-YOEHRIQHSA-N 2 1 367.331 3.128 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904406935 743952812 /nfs/dbraw/zinc/95/28/12/743952812.db2.gz XVZYTFLHGJEJRE-AWEZNQCLSA-N 2 1 371.319 3.035 20 0 FGADMP CCc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000919718597 758466171 /nfs/dbraw/zinc/46/61/71/758466171.db2.gz HJJGQPZHZLDUPL-UHFFFAOYSA-N 2 1 355.511 3.205 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921685713 758770810 /nfs/dbraw/zinc/77/08/10/758770810.db2.gz KVZSUXGYUXCOHE-DJIMGWMZSA-N 2 1 350.507 3.111 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386806 758909562 /nfs/dbraw/zinc/90/95/62/758909562.db2.gz IRWZCYPOXMOFAU-VDERGJSUSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390427 758911504 /nfs/dbraw/zinc/91/15/04/758911504.db2.gz MNIMXBDREDRJJG-HGTKMLMNSA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@H]1C(C)C ZINC000922394679 758913757 /nfs/dbraw/zinc/91/37/57/758913757.db2.gz RCDLODIPIWTJMF-SRABZTEZSA-N 2 1 371.319 3.002 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@H]1C(C)C ZINC000922394679 758913761 /nfs/dbraw/zinc/91/37/61/758913761.db2.gz RCDLODIPIWTJMF-SRABZTEZSA-N 2 1 371.319 3.002 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000924698459 759372940 /nfs/dbraw/zinc/37/29/40/759372940.db2.gz ZNRDOAZLIOIJAE-GRDNDAEWSA-N 2 1 350.304 3.438 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000924698459 759372952 /nfs/dbraw/zinc/37/29/52/759372952.db2.gz ZNRDOAZLIOIJAE-GRDNDAEWSA-N 2 1 350.304 3.438 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1csc2ccccc21 ZINC000925017923 759431289 /nfs/dbraw/zinc/43/12/89/759431289.db2.gz AHKCKMOPUMJNHM-HNNXBMFYSA-N 2 1 359.539 3.495 20 0 FGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000925775574 759534339 /nfs/dbraw/zinc/53/43/39/759534339.db2.gz HNJNXZVRSSLDII-PSASIEDQSA-N 2 1 351.260 3.332 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926124615 759657510 /nfs/dbraw/zinc/65/75/10/759657510.db2.gz HSEGRRWCXMGOPZ-LPHOPBHVSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926124615 759657516 /nfs/dbraw/zinc/65/75/16/759657516.db2.gz HSEGRRWCXMGOPZ-LPHOPBHVSA-N 2 1 357.885 3.079 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000929694549 760435616 /nfs/dbraw/zinc/43/56/16/760435616.db2.gz BRFYLNCZHFXFOQ-RCCFBDPRSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000931481843 760872207 /nfs/dbraw/zinc/87/22/07/760872207.db2.gz WABMIDKVBPFPNQ-UHFFFAOYSA-N 2 1 350.812 3.247 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545141 760888781 /nfs/dbraw/zinc/88/87/81/760888781.db2.gz AGTYSUCJCMRBPS-LISAXSMJSA-N 2 1 354.416 3.195 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545141 760888794 /nfs/dbraw/zinc/88/87/94/760888794.db2.gz AGTYSUCJCMRBPS-LISAXSMJSA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545141 760888810 /nfs/dbraw/zinc/88/88/10/760888810.db2.gz AGTYSUCJCMRBPS-LISAXSMJSA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545141 760888826 /nfs/dbraw/zinc/88/88/26/760888826.db2.gz AGTYSUCJCMRBPS-LISAXSMJSA-N 2 1 354.416 3.195 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2sccc2Cl)CC[N@H+]1C ZINC000960011538 762730865 /nfs/dbraw/zinc/73/08/65/762730865.db2.gz SHSSMXXZYQZBBN-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[NH+](Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761481 764560992 /nfs/dbraw/zinc/56/09/92/764560992.db2.gz IUIQUHJLAPGCMD-DMUMMCEESA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761481 764560995 /nfs/dbraw/zinc/56/09/95/764560995.db2.gz IUIQUHJLAPGCMD-DMUMMCEESA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@@H]2[N@@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761481 764561004 /nfs/dbraw/zinc/56/10/04/764561004.db2.gz IUIQUHJLAPGCMD-DMUMMCEESA-N 2 1 361.555 3.092 20 0 FGADMP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000996603554 765019755 /nfs/dbraw/zinc/01/97/55/765019755.db2.gz ONIWGZRILAYLPG-QMTMVMCOSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001007370167 765589277 /nfs/dbraw/zinc/58/92/77/765589277.db2.gz WNQYQCYNELILOJ-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001007370167 765589283 /nfs/dbraw/zinc/58/92/83/765589283.db2.gz WNQYQCYNELILOJ-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001007370167 765589288 /nfs/dbraw/zinc/58/92/88/765589288.db2.gz WNQYQCYNELILOJ-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092719 766206012 /nfs/dbraw/zinc/20/60/12/766206012.db2.gz UIIGRIYHJHHLHJ-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092719 766206017 /nfs/dbraw/zinc/20/60/17/766206017.db2.gz UIIGRIYHJHHLHJ-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092719 766206022 /nfs/dbraw/zinc/20/60/22/766206022.db2.gz UIIGRIYHJHHLHJ-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001033092719 766206025 /nfs/dbraw/zinc/20/60/25/766206025.db2.gz UIIGRIYHJHHLHJ-KBAYOESNSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cc(C)sc2C)CC[N@H+]1C ZINC001045044680 766505666 /nfs/dbraw/zinc/50/56/66/766505666.db2.gz QPDCYUULDGYRLG-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]Cc3ccsc3)CC2)CC[N@H+]1C ZINC001048607474 766723921 /nfs/dbraw/zinc/72/39/21/766723921.db2.gz CZDNJXOERMFNGR-YWTNHNAXSA-N 2 1 363.571 3.101 20 0 FGADMP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555316 257380185 /nfs/dbraw/zinc/38/01/85/257380185.db2.gz FLQSRXSSCODFFR-WMQCIHAUSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597378 505574916 /nfs/dbraw/zinc/57/49/16/505574916.db2.gz VUJHBQYKUWIXOJ-APWZRJJASA-N 2 1 351.485 3.216 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597378 505574920 /nfs/dbraw/zinc/57/49/20/505574920.db2.gz VUJHBQYKUWIXOJ-APWZRJJASA-N 2 1 351.485 3.216 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000570814232 505586890 /nfs/dbraw/zinc/58/68/90/505586890.db2.gz NRVHBFBEGLVYBL-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651572 505587457 /nfs/dbraw/zinc/58/74/57/505587457.db2.gz KPPBWUZYQLRUJQ-CTNGQTDRSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573651572 505587459 /nfs/dbraw/zinc/58/74/59/505587459.db2.gz KPPBWUZYQLRUJQ-CTNGQTDRSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573651572 505587462 /nfs/dbraw/zinc/58/74/62/505587462.db2.gz KPPBWUZYQLRUJQ-CTNGQTDRSA-N 2 1 374.573 3.318 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1 ZINC000567982437 505590202 /nfs/dbraw/zinc/59/02/02/505590202.db2.gz ZRNRGRJQILRAHS-NRFANRHFSA-N 2 1 366.509 3.100 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1 ZINC000567982437 505590203 /nfs/dbraw/zinc/59/02/03/505590203.db2.gz ZRNRGRJQILRAHS-NRFANRHFSA-N 2 1 366.509 3.100 20 0 FGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCC1 ZINC000570836420 505591994 /nfs/dbraw/zinc/59/19/94/505591994.db2.gz HAUCKFRJZZPGDB-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000568045788 505603129 /nfs/dbraw/zinc/60/31/29/505603129.db2.gz JEQHVVPYDVNDLI-HKUYNNGSSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045788 505603130 /nfs/dbraw/zinc/60/31/30/505603130.db2.gz JEQHVVPYDVNDLI-HKUYNNGSSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045788 505603131 /nfs/dbraw/zinc/60/31/31/505603131.db2.gz JEQHVVPYDVNDLI-HKUYNNGSSA-N 2 1 363.571 3.211 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000568053148 505604315 /nfs/dbraw/zinc/60/43/15/505604315.db2.gz SRKJLQKGGFGIMI-GOSISDBHSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721307 505604316 /nfs/dbraw/zinc/60/43/16/505604316.db2.gz JMAMARFKGIMVFY-HNNXBMFYSA-N 2 1 356.352 3.325 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000579703235 505605377 /nfs/dbraw/zinc/60/53/77/505605377.db2.gz GVXMKVCFYYKHFR-ICSRJNTNSA-N 2 1 356.510 3.147 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000570896134 505605646 /nfs/dbraw/zinc/60/56/46/505605646.db2.gz LDAUGQUKXZVJOV-QGZVFWFLSA-N 2 1 363.571 3.369 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746308 505611460 /nfs/dbraw/zinc/61/14/60/505611460.db2.gz OCLJPIBLZNSBMI-AVRDEDQJSA-N 2 1 365.521 3.041 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@H](C)O1 ZINC000573763785 505613918 /nfs/dbraw/zinc/61/39/18/505613918.db2.gz KFACBVSNAUFTPA-ROUUACIJSA-N 2 1 371.525 3.258 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1nccc2ccccc21 ZINC000579779628 505618358 /nfs/dbraw/zinc/61/83/58/505618358.db2.gz FYDYRSQREKVVJD-INIZCTEOSA-N 2 1 350.466 3.421 20 0 FGADMP CN(C(=O)Nc1cccc2c1CC[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576925932 505626234 /nfs/dbraw/zinc/62/62/34/505626234.db2.gz WYVNIVNCLMOVOH-LJQANCHMSA-N 2 1 364.493 3.071 20 0 FGADMP C[N@H+]1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178092 505635836 /nfs/dbraw/zinc/63/58/36/505635836.db2.gz GWHZCYDNMILLJL-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178092 505635838 /nfs/dbraw/zinc/63/58/38/505635838.db2.gz GWHZCYDNMILLJL-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178092 505635840 /nfs/dbraw/zinc/63/58/40/505635840.db2.gz GWHZCYDNMILLJL-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3c4ccccc4C[C@H]3C)CC2)CC1 ZINC000568199680 505641923 /nfs/dbraw/zinc/64/19/23/505641923.db2.gz FLOWAPBGVYRLMA-VGSWGCGISA-N 2 1 369.553 3.232 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000571101863 505654048 /nfs/dbraw/zinc/65/40/48/505654048.db2.gz OSPPOOLRUIZIAK-FXAWDEMLSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000571101863 505654052 /nfs/dbraw/zinc/65/40/52/505654052.db2.gz OSPPOOLRUIZIAK-FXAWDEMLSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000571101863 505654055 /nfs/dbraw/zinc/65/40/55/505654055.db2.gz OSPPOOLRUIZIAK-FXAWDEMLSA-N 2 1 357.498 3.024 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086709 505661340 /nfs/dbraw/zinc/66/13/40/505661340.db2.gz AVBPKZYFVCNSNR-QUCCMNQESA-N 2 1 361.505 3.151 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000580024608 505663916 /nfs/dbraw/zinc/66/39/16/505663916.db2.gz FHOQYVBWOTVHCV-ZNMIVQPWSA-N 2 1 370.335 3.384 20 0 FGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000580063983 505672588 /nfs/dbraw/zinc/67/25/88/505672588.db2.gz DXGVSPUOEZZCJV-PWHSHALESA-N 2 1 368.521 3.162 20 0 FGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000580063983 505672592 /nfs/dbraw/zinc/67/25/92/505672592.db2.gz DXGVSPUOEZZCJV-PWHSHALESA-N 2 1 368.521 3.162 20 0 FGADMP Cc1ccccc1[C@H](N)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000571204377 505678958 /nfs/dbraw/zinc/67/89/58/505678958.db2.gz WLQOESHBFYKQDY-NRFANRHFSA-N 2 1 362.477 3.352 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000574038807 505679577 /nfs/dbraw/zinc/67/95/77/505679577.db2.gz OWIRQJOCCPKUCV-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CCC1CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000075820211 493782027 /nfs/dbraw/zinc/78/20/27/493782027.db2.gz WYVDAHMKTXQXGW-UHFFFAOYSA-N 2 1 373.541 3.406 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000048193571 493800047 /nfs/dbraw/zinc/80/00/47/493800047.db2.gz AQLCTZSBCDTMHC-UHFFFAOYSA-N 2 1 368.525 3.070 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568388230 505682567 /nfs/dbraw/zinc/68/25/67/505682567.db2.gz LAWDBCSEIKTEET-ODZKNYGOSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568388230 505682568 /nfs/dbraw/zinc/68/25/68/505682568.db2.gz LAWDBCSEIKTEET-ODZKNYGOSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000068597347 493846412 /nfs/dbraw/zinc/84/64/12/493846412.db2.gz AUOQBHJRGCXOPA-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000068636288 493848910 /nfs/dbraw/zinc/84/89/10/493848910.db2.gz MVEQRNTYWLNQCU-OALUTQOASA-N 2 1 372.557 3.060 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000050024757 493891528 /nfs/dbraw/zinc/89/15/28/493891528.db2.gz WIFFQQMRRGTFFD-QZTJIDSGSA-N 2 1 357.523 3.132 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028921 493893251 /nfs/dbraw/zinc/89/32/51/493893251.db2.gz AOUQWEDFNWNRCP-QUCCMNQESA-N 2 1 371.550 3.379 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571006 493919738 /nfs/dbraw/zinc/91/97/38/493919738.db2.gz XZWUHUPAXCQJNU-RDJZCZTQSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571006 493919741 /nfs/dbraw/zinc/91/97/41/493919741.db2.gz XZWUHUPAXCQJNU-RDJZCZTQSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571006 493919744 /nfs/dbraw/zinc/91/97/44/493919744.db2.gz XZWUHUPAXCQJNU-RDJZCZTQSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571006 493919748 /nfs/dbraw/zinc/91/97/48/493919748.db2.gz XZWUHUPAXCQJNU-RDJZCZTQSA-N 2 1 374.447 3.109 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000060368502 493927753 /nfs/dbraw/zinc/92/77/53/493927753.db2.gz OBKWKRLFZVBWAI-CALCHBBNSA-N 2 1 350.478 3.026 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000062357880 494009934 /nfs/dbraw/zinc/00/99/34/494009934.db2.gz KQVFRTJVIPGQFS-OALUTQOASA-N 2 1 359.901 3.362 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000052209925 494011108 /nfs/dbraw/zinc/01/11/08/494011108.db2.gz UCFVVRNCZAMFTL-UHFFFAOYSA-N 2 1 361.530 3.386 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000052209925 494011112 /nfs/dbraw/zinc/01/11/12/494011112.db2.gz UCFVVRNCZAMFTL-UHFFFAOYSA-N 2 1 361.530 3.386 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(F)cc2)CC1 ZINC000052209168 494011486 /nfs/dbraw/zinc/01/14/86/494011486.db2.gz UUENLCFQOUUKGI-UHFFFAOYSA-N 2 1 363.521 3.228 20 0 FGADMP O=C(C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000083422326 494017119 /nfs/dbraw/zinc/01/71/19/494017119.db2.gz PJRUUWHFJFMFJZ-UHFFFAOYSA-N 2 1 373.928 3.172 20 0 FGADMP O=C(C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000083422326 494017123 /nfs/dbraw/zinc/01/71/23/494017123.db2.gz PJRUUWHFJFMFJZ-UHFFFAOYSA-N 2 1 373.928 3.172 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000577280663 505699511 /nfs/dbraw/zinc/69/95/11/505699511.db2.gz CPUDEEUIBGGVGA-QRQLOZEOSA-N 2 1 369.509 3.274 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000064229294 494107313 /nfs/dbraw/zinc/10/73/13/494107313.db2.gz JVDRUYMGHUOIBG-UHFFFAOYSA-N 2 1 374.573 3.402 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC3CC[NH+](CC(C)C)CC3)CC2)[nH+]1 ZINC000077759921 494170197 /nfs/dbraw/zinc/17/01/97/494170197.db2.gz RSAJQZYLVXJQIL-UHFFFAOYSA-N 2 1 373.545 3.096 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000088174442 494211641 /nfs/dbraw/zinc/21/16/41/494211641.db2.gz LRUNSZKJZLDSJG-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000088174442 494211645 /nfs/dbraw/zinc/21/16/45/494211645.db2.gz LRUNSZKJZLDSJG-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718870 494239509 /nfs/dbraw/zinc/23/95/09/494239509.db2.gz LPNUVYAASJUJML-HXUWFJFHSA-N 2 1 368.525 3.307 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718870 494239513 /nfs/dbraw/zinc/23/95/13/494239513.db2.gz LPNUVYAASJUJML-HXUWFJFHSA-N 2 1 368.525 3.307 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718473 494239822 /nfs/dbraw/zinc/23/98/22/494239822.db2.gz MWFMXJJKDGIRMH-GOSISDBHSA-N 2 1 357.498 3.026 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718473 494239825 /nfs/dbraw/zinc/23/98/25/494239825.db2.gz MWFMXJJKDGIRMH-GOSISDBHSA-N 2 1 357.498 3.026 20 0 FGADMP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)cc21 ZINC000073102800 494322765 /nfs/dbraw/zinc/32/27/65/494322765.db2.gz DHXKGGNYIZEVHN-NRFANRHFSA-N 2 1 364.493 3.444 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212430 494338704 /nfs/dbraw/zinc/33/87/04/494338704.db2.gz RXSHYKMSGHJNMP-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212430 494338707 /nfs/dbraw/zinc/33/87/07/494338707.db2.gz RXSHYKMSGHJNMP-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212430 494338709 /nfs/dbraw/zinc/33/87/09/494338709.db2.gz RXSHYKMSGHJNMP-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000073215597 494339409 /nfs/dbraw/zinc/33/94/09/494339409.db2.gz OAWBYIOBMRLNBC-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000073215597 494339415 /nfs/dbraw/zinc/33/94/15/494339415.db2.gz OAWBYIOBMRLNBC-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000073215597 494339418 /nfs/dbraw/zinc/33/94/18/494339418.db2.gz OAWBYIOBMRLNBC-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP CC1CC[NH+](CCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000078948171 494383265 /nfs/dbraw/zinc/38/32/65/494383265.db2.gz IGTFIYTVTLMQOY-IBGZPJMESA-N 2 1 352.567 3.062 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536062 494384623 /nfs/dbraw/zinc/38/46/23/494384623.db2.gz NIGSHUUAGAHOAY-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000044907391 494388351 /nfs/dbraw/zinc/38/83/51/494388351.db2.gz RGQPCUFTIVTNAD-KCZVDYSFSA-N 2 1 371.569 3.383 20 0 FGADMP FC(F)(F)c1cnc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000090082440 494438533 /nfs/dbraw/zinc/43/85/33/494438533.db2.gz YODCPFWZVZNLFF-CHWSQXEVSA-N 2 1 363.811 3.349 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000073898586 494445578 /nfs/dbraw/zinc/44/55/78/494445578.db2.gz AOTUYINVWGVNGO-QZTJIDSGSA-N 2 1 364.534 3.178 20 0 FGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090524009 494478382 /nfs/dbraw/zinc/47/83/82/494478382.db2.gz YTMAKLPQQXFEJQ-NQERJWCQSA-N 2 1 359.514 3.064 20 0 FGADMP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000056294089 494483420 /nfs/dbraw/zinc/48/34/20/494483420.db2.gz BWCPZEQBJRDWEI-UHFFFAOYSA-N 2 1 372.340 3.416 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000056294089 494483423 /nfs/dbraw/zinc/48/34/23/494483423.db2.gz BWCPZEQBJRDWEI-UHFFFAOYSA-N 2 1 372.340 3.416 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)Cc1ccccc1 ZINC000090655991 494490885 /nfs/dbraw/zinc/49/08/85/494490885.db2.gz FJTBLVKLLZJZNM-AUSIDOKSSA-N 2 1 352.522 3.275 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000090803057 494497878 /nfs/dbraw/zinc/49/78/78/494497878.db2.gz WMRGAIJNTJMUDN-HMXCVIKNSA-N 2 1 350.510 3.303 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000090803057 494497881 /nfs/dbraw/zinc/49/78/81/494497881.db2.gz WMRGAIJNTJMUDN-HMXCVIKNSA-N 2 1 350.510 3.303 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCC[N@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000074232976 494502270 /nfs/dbraw/zinc/50/22/70/494502270.db2.gz OJERTPUVYSYUJQ-GOSISDBHSA-N 2 1 373.541 3.466 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000074319597 494518522 /nfs/dbraw/zinc/51/85/22/494518522.db2.gz DWWHRPDWTNTCFU-KRWDZBQOSA-N 2 1 361.530 3.466 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067381142 494527464 /nfs/dbraw/zinc/52/74/64/494527464.db2.gz RMAQZNBEOXQEAH-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CC[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000067383218 494527571 /nfs/dbraw/zinc/52/75/71/494527571.db2.gz WWTHXTFMWLFABP-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000080055569 494577863 /nfs/dbraw/zinc/57/78/63/494577863.db2.gz SHLIEIQVHQUJBG-FPOVZHCZSA-N 2 1 374.573 3.458 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074714759 494581466 /nfs/dbraw/zinc/58/14/66/494581466.db2.gz DZKIWAOPTJYZLY-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813816 494628846 /nfs/dbraw/zinc/62/88/46/494628846.db2.gz APTJRHPKVSMNKG-CTNGQTDRSA-N 2 1 372.557 3.115 20 0 FGADMP COc1ccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000092644880 494693535 /nfs/dbraw/zinc/69/35/35/494693535.db2.gz VPOSZFLOQCTCLP-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP COc1ccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000092644880 494693536 /nfs/dbraw/zinc/69/35/36/494693536.db2.gz VPOSZFLOQCTCLP-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP Cc1ccc(C)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000108420615 494703602 /nfs/dbraw/zinc/70/36/02/494703602.db2.gz PDBAHBAOCDWARY-OAQYLSRUSA-N 2 1 365.521 3.291 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cn1 ZINC000092738674 494734119 /nfs/dbraw/zinc/73/41/19/494734119.db2.gz UEEFWXBRXIEOGD-DYESRHJHSA-N 2 1 356.489 3.250 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000108567447 494741654 /nfs/dbraw/zinc/74/16/54/494741654.db2.gz QNRCXDBTTFZLSL-NRFANRHFSA-N 2 1 372.557 3.204 20 0 FGADMP COCc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092821181 494763900 /nfs/dbraw/zinc/76/39/00/494763900.db2.gz RHNHOGYZUBLUIU-UHFFFAOYSA-N 2 1 360.527 3.423 20 0 FGADMP COCc1nc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000092821181 494763908 /nfs/dbraw/zinc/76/39/08/494763908.db2.gz RHNHOGYZUBLUIU-UHFFFAOYSA-N 2 1 360.527 3.423 20 0 FGADMP CCC[N@H+](Cc1ccnn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126511237 494776447 /nfs/dbraw/zinc/77/64/47/494776447.db2.gz ZPAICEOBDCURKJ-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP CCC[N@@H+](Cc1ccnn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000126511237 494776453 /nfs/dbraw/zinc/77/64/53/494776453.db2.gz ZPAICEOBDCURKJ-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP c1ncn(-c2ccc(C[N@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)n1 ZINC000093016800 494808562 /nfs/dbraw/zinc/80/85/62/494808562.db2.gz RHIQTCGHQNJMSQ-FQEVSTJZSA-N 2 1 353.514 3.355 20 0 FGADMP c1ncn(-c2ccc(C[N@@H+]3CCC[C@@H](C[NH+]4CCCCCC4)C3)cc2)n1 ZINC000093016800 494808565 /nfs/dbraw/zinc/80/85/65/494808565.db2.gz RHIQTCGHQNJMSQ-FQEVSTJZSA-N 2 1 353.514 3.355 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000132074616 494814118 /nfs/dbraw/zinc/81/41/18/494814118.db2.gz VZSWTKBXHIQBNZ-JOCHJYFZSA-N 2 1 356.485 3.026 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000126745961 494831116 /nfs/dbraw/zinc/83/11/16/494831116.db2.gz PZEJEZRHMWMSJG-QGZVFWFLSA-N 2 1 367.493 3.014 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000093147275 494835025 /nfs/dbraw/zinc/83/50/25/494835025.db2.gz LCOWNERHEGBVPL-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000093147275 494835029 /nfs/dbraw/zinc/83/50/29/494835029.db2.gz LCOWNERHEGBVPL-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329117 494871226 /nfs/dbraw/zinc/87/12/26/494871226.db2.gz LVQZXXBDJPFYHG-OAHLLOKOSA-N 2 1 354.376 3.149 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329117 494871230 /nfs/dbraw/zinc/87/12/30/494871230.db2.gz LVQZXXBDJPFYHG-OAHLLOKOSA-N 2 1 354.376 3.149 20 0 FGADMP CC[C@@H](Cc1ccccc1)[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093704658 494913146 /nfs/dbraw/zinc/91/31/46/494913146.db2.gz QRNZTQMWSWQSJA-NRFANRHFSA-N 2 1 367.541 3.072 20 0 FGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093704658 494913148 /nfs/dbraw/zinc/91/31/48/494913148.db2.gz QRNZTQMWSWQSJA-NRFANRHFSA-N 2 1 367.541 3.072 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093693410 494913713 /nfs/dbraw/zinc/91/37/13/494913713.db2.gz JMDYYLOFEDDLHY-HXUWFJFHSA-N 3 1 372.601 3.381 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093693410 494913717 /nfs/dbraw/zinc/91/37/17/494913717.db2.gz JMDYYLOFEDDLHY-HXUWFJFHSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753193 494917331 /nfs/dbraw/zinc/91/73/31/494917331.db2.gz AZVQQMXQNJHVCD-SFHVURJKSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753193 494917335 /nfs/dbraw/zinc/91/73/35/494917335.db2.gz AZVQQMXQNJHVCD-SFHVURJKSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753193 494917338 /nfs/dbraw/zinc/91/73/38/494917338.db2.gz AZVQQMXQNJHVCD-SFHVURJKSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753193 494917340 /nfs/dbraw/zinc/91/73/40/494917340.db2.gz AZVQQMXQNJHVCD-SFHVURJKSA-N 2 1 362.514 3.019 20 0 FGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCS2 ZINC000132744089 494918050 /nfs/dbraw/zinc/91/80/50/494918050.db2.gz WZBXXOMVIYTDNW-KDOFPFPSSA-N 2 1 350.503 3.453 20 0 FGADMP CC(=O)Nc1ccccc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844427 494926973 /nfs/dbraw/zinc/92/69/73/494926973.db2.gz LPYQGWDYRMJQHW-HDICACEKSA-N 2 1 373.541 3.356 20 0 FGADMP CC1CC[NH+](CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132993913 494954137 /nfs/dbraw/zinc/95/41/37/494954137.db2.gz ZHEIPRXNDOUDDG-UHFFFAOYSA-N 2 1 358.574 3.039 20 0 FGADMP CCC[N@@H+]1CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000118029845 494971234 /nfs/dbraw/zinc/97/12/34/494971234.db2.gz OMCZGDZWXPWGLN-SFHVURJKSA-N 2 1 374.529 3.029 20 0 FGADMP CCC[N@H+]1CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000118029845 494971238 /nfs/dbraw/zinc/97/12/38/494971238.db2.gz OMCZGDZWXPWGLN-SFHVURJKSA-N 2 1 374.529 3.029 20 0 FGADMP CCc1ccc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000110545146 494988045 /nfs/dbraw/zinc/98/80/45/494988045.db2.gz YIHPFUXPRZYVTP-HDICACEKSA-N 2 1 373.541 3.009 20 0 FGADMP CCc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000110545146 494988048 /nfs/dbraw/zinc/98/80/48/494988048.db2.gz YIHPFUXPRZYVTP-HDICACEKSA-N 2 1 373.541 3.009 20 0 FGADMP Cc1cccc(C[NH+]2CCC(NC(=O)CCn3cc[nH+]c3C(C)C)CC2)c1 ZINC000118774080 495034067 /nfs/dbraw/zinc/03/40/67/495034067.db2.gz DNMWXFPHMKNWHS-UHFFFAOYSA-N 2 1 368.525 3.486 20 0 FGADMP C[C@@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868405 495051349 /nfs/dbraw/zinc/05/13/49/495051349.db2.gz ILOKILLXZVRCLO-AWEZNQCLSA-N 2 1 360.527 3.287 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000128190628 495058490 /nfs/dbraw/zinc/05/84/90/495058490.db2.gz GJFDVVRDYDCWRJ-BBRMVZONSA-N 2 1 367.946 3.054 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)C1 ZINC000128190628 495058493 /nfs/dbraw/zinc/05/84/93/495058493.db2.gz GJFDVVRDYDCWRJ-BBRMVZONSA-N 2 1 367.946 3.054 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000128191107 495058598 /nfs/dbraw/zinc/05/85/98/495058598.db2.gz MRIAFPLPSYOYEV-STQMWFEESA-N 2 1 358.313 3.231 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000128191107 495058602 /nfs/dbraw/zinc/05/86/02/495058602.db2.gz MRIAFPLPSYOYEV-STQMWFEESA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111474119 495080009 /nfs/dbraw/zinc/08/00/09/495080009.db2.gz NWTSSQOJPOGMFS-KRWDZBQOSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000111505142 495083653 /nfs/dbraw/zinc/08/36/53/495083653.db2.gz ZHLZNQIFFKUGKY-AEFFLSMTSA-N 2 1 374.554 3.171 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000123318075 495113866 /nfs/dbraw/zinc/11/38/66/495113866.db2.gz PCJUIIHNUYSMAK-OAQYLSRUSA-N 2 1 367.493 3.026 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000123318075 495113868 /nfs/dbraw/zinc/11/38/68/495113868.db2.gz PCJUIIHNUYSMAK-OAQYLSRUSA-N 2 1 367.493 3.026 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000119315488 495140156 /nfs/dbraw/zinc/14/01/56/495140156.db2.gz WIOKWDGLPMHGFK-UHFFFAOYSA-N 2 1 374.510 3.042 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000119315488 495140158 /nfs/dbraw/zinc/14/01/58/495140158.db2.gz WIOKWDGLPMHGFK-UHFFFAOYSA-N 2 1 374.510 3.042 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000128782316 495149953 /nfs/dbraw/zinc/14/99/53/495149953.db2.gz CKZFLWOMTBAQOB-PMACEKPBSA-N 2 1 366.594 3.310 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123578376 495154993 /nfs/dbraw/zinc/15/49/93/495154993.db2.gz CPDILXNWOQBBFY-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123578376 495154994 /nfs/dbraw/zinc/15/49/94/495154994.db2.gz CPDILXNWOQBBFY-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123578376 495154996 /nfs/dbraw/zinc/15/49/96/495154996.db2.gz CPDILXNWOQBBFY-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123578376 495154999 /nfs/dbraw/zinc/15/49/99/495154999.db2.gz CPDILXNWOQBBFY-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000128839899 495157599 /nfs/dbraw/zinc/15/75/99/495157599.db2.gz PPWFZSXPTQCKAJ-SFHVURJKSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633726 495163512 /nfs/dbraw/zinc/16/35/12/495163512.db2.gz BCEHNENLPBYUSN-AGHHOFFYSA-N 2 1 354.494 3.371 20 0 FGADMP c1ccc(CN2CCOCC23CCC3)c(CN2CCOCC23CCC3)c1 ZINC000119607689 495200818 /nfs/dbraw/zinc/20/08/18/495200818.db2.gz YDPFBNDCECOXMD-UHFFFAOYSA-N 2 1 356.510 3.196 20 0 FGADMP Cn1ccnc1[C@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)C1CC1 ZINC000129170508 495205908 /nfs/dbraw/zinc/20/59/08/495205908.db2.gz MFSABNMXPHEZIZ-LJQANCHMSA-N 2 1 354.498 3.112 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113620856 495322033 /nfs/dbraw/zinc/32/20/33/495322033.db2.gz APOSJACQTSGNSL-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105134689 495339953 /nfs/dbraw/zinc/33/99/53/495339953.db2.gz BERYCLKKYGRIOD-VQTJNVASSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113997805 495342081 /nfs/dbraw/zinc/34/20/81/495342081.db2.gz NZAJTBWUPWDCLF-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000113997805 495342083 /nfs/dbraw/zinc/34/20/83/495342083.db2.gz NZAJTBWUPWDCLF-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000113997805 495342086 /nfs/dbraw/zinc/34/20/86/495342086.db2.gz NZAJTBWUPWDCLF-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000113997805 495342089 /nfs/dbraw/zinc/34/20/89/495342089.db2.gz NZAJTBWUPWDCLF-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105276431 495351540 /nfs/dbraw/zinc/35/15/40/495351540.db2.gz LMFCTLLGPOSNMW-OAQYLSRUSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571625010 505776528 /nfs/dbraw/zinc/77/65/28/505776528.db2.gz RYRKCXTXKCUGRL-RBUKOAKNSA-N 2 1 372.557 3.331 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789889 505777540 /nfs/dbraw/zinc/77/75/40/505777540.db2.gz MMDGMCJCBGSHAK-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568789889 505777545 /nfs/dbraw/zinc/77/75/45/505777545.db2.gz MMDGMCJCBGSHAK-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568789889 505777549 /nfs/dbraw/zinc/77/75/49/505777549.db2.gz MMDGMCJCBGSHAK-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@H](C)C2CC2)CC1 ZINC000114455167 495376857 /nfs/dbraw/zinc/37/68/57/495376857.db2.gz KQCIYQXTYAYSOY-GOSISDBHSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)CC1 ZINC000114455607 495376871 /nfs/dbraw/zinc/37/68/71/495376871.db2.gz ODMUOULKMGQCID-OAQYLSRUSA-N 2 1 355.526 3.127 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000114475665 495380534 /nfs/dbraw/zinc/38/05/34/495380534.db2.gz MSWDTPGEBZVISR-UHFFFAOYSA-N 2 1 355.530 3.426 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)n2C)CC1 ZINC000114475665 495380539 /nfs/dbraw/zinc/38/05/39/495380539.db2.gz MSWDTPGEBZVISR-UHFFFAOYSA-N 2 1 355.530 3.426 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000130562922 495411011 /nfs/dbraw/zinc/41/10/11/495411011.db2.gz ATZDYRZAAPVNOR-CYBMUJFWSA-N 2 1 366.412 3.142 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000130562922 495411015 /nfs/dbraw/zinc/41/10/15/495411015.db2.gz ATZDYRZAAPVNOR-CYBMUJFWSA-N 2 1 366.412 3.142 20 0 FGADMP C[C@@H](C(=O)N(C)C)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136960787 495413327 /nfs/dbraw/zinc/41/33/27/495413327.db2.gz YRUHIHOIPHKDOQ-AWEZNQCLSA-N 2 1 371.447 3.078 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000130747306 495439180 /nfs/dbraw/zinc/43/91/80/495439180.db2.gz NACAPKPGUFMGBJ-FQEVSTJZSA-N 2 1 354.498 3.095 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000130747306 495439184 /nfs/dbraw/zinc/43/91/84/495439184.db2.gz NACAPKPGUFMGBJ-FQEVSTJZSA-N 2 1 354.498 3.095 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000137570152 495445409 /nfs/dbraw/zinc/44/54/09/495445409.db2.gz KOFZAWXJPKMFSX-SFHVURJKSA-N 2 1 359.514 3.364 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000106388493 495450535 /nfs/dbraw/zinc/45/05/35/495450535.db2.gz FLEVLUONGOAUEK-HNNXBMFYSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000106388493 495450541 /nfs/dbraw/zinc/45/05/41/495450541.db2.gz FLEVLUONGOAUEK-HNNXBMFYSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106528753 495463397 /nfs/dbraw/zinc/46/33/97/495463397.db2.gz PTIDKHDFSMBZHY-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccoc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000130907173 495465036 /nfs/dbraw/zinc/46/50/36/495465036.db2.gz ARKMWRYQGJRBPE-UHFFFAOYSA-N 2 1 369.509 3.048 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158572767 495541376 /nfs/dbraw/zinc/54/13/76/495541376.db2.gz KLSPSKTUWYULIT-YOEHRIQHSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158572767 495541380 /nfs/dbraw/zinc/54/13/80/495541380.db2.gz KLSPSKTUWYULIT-YOEHRIQHSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158572767 495541383 /nfs/dbraw/zinc/54/13/83/495541383.db2.gz KLSPSKTUWYULIT-YOEHRIQHSA-N 2 1 365.905 3.093 20 0 FGADMP Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OCC[NH+](C)C)c1 ZINC000173476450 495548132 /nfs/dbraw/zinc/54/81/32/495548132.db2.gz CEKNUNUZOYAALA-AYHJJNSGSA-N 2 1 374.529 3.072 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263319 495561698 /nfs/dbraw/zinc/56/16/98/495561698.db2.gz WHUOPOFIDLBMQG-SJLPKXTDSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263319 495561700 /nfs/dbraw/zinc/56/17/00/495561700.db2.gz WHUOPOFIDLBMQG-SJLPKXTDSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154263319 495561705 /nfs/dbraw/zinc/56/17/05/495561705.db2.gz WHUOPOFIDLBMQG-SJLPKXTDSA-N 2 1 358.448 3.273 20 0 FGADMP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444017 495566124 /nfs/dbraw/zinc/56/61/24/495566124.db2.gz DDOJEGUDKUBSNE-FXAWDEMLSA-N 2 1 372.557 3.200 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000154286251 495569850 /nfs/dbraw/zinc/56/98/50/495569850.db2.gz NDHWTMYKODPRFV-GOSISDBHSA-N 2 1 358.448 3.415 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154327473 495582529 /nfs/dbraw/zinc/58/25/29/495582529.db2.gz XSNSBVVCEGXMFF-UWJYYQICSA-N 2 1 368.525 3.236 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154327473 495582532 /nfs/dbraw/zinc/58/25/32/495582532.db2.gz XSNSBVVCEGXMFF-UWJYYQICSA-N 2 1 368.525 3.236 20 0 FGADMP C[N@H+]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000577775862 505790930 /nfs/dbraw/zinc/79/09/30/505790930.db2.gz XNTBBHNBSCYUPP-RTWAWAEBSA-N 2 1 357.542 3.057 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182577018 495622504 /nfs/dbraw/zinc/62/25/04/495622504.db2.gz GRZBQRBRWACTDA-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000158997717 495634668 /nfs/dbraw/zinc/63/46/68/495634668.db2.gz SQPTXROXMNOTCJ-GCJKJVERSA-N 2 1 353.510 3.492 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185661598 495668404 /nfs/dbraw/zinc/66/84/04/495668404.db2.gz HMQGZNANVSNICT-QKNQBKEWSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693975 495682159 /nfs/dbraw/zinc/68/21/59/495682159.db2.gz IXCVMVRLZQXSHP-FRQCXROJSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693975 495682163 /nfs/dbraw/zinc/68/21/63/495682163.db2.gz IXCVMVRLZQXSHP-FRQCXROJSA-N 2 1 359.489 3.174 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000159213425 495685230 /nfs/dbraw/zinc/68/52/30/495685230.db2.gz YAFRMXCTKNCZCA-QGZVFWFLSA-N 2 1 360.527 3.111 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159213425 495685233 /nfs/dbraw/zinc/68/52/33/495685233.db2.gz YAFRMXCTKNCZCA-QGZVFWFLSA-N 2 1 360.527 3.111 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2cccc(OC)c2)CC1 ZINC000182762357 495694506 /nfs/dbraw/zinc/69/45/06/495694506.db2.gz KMQOFAJWVXZBGH-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718017 495695847 /nfs/dbraw/zinc/69/58/47/495695847.db2.gz HOIGIKVCODXMDY-RTBURBONSA-N 2 1 351.579 3.370 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718017 495695853 /nfs/dbraw/zinc/69/58/53/495695853.db2.gz HOIGIKVCODXMDY-RTBURBONSA-N 2 1 351.579 3.370 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725889 495698411 /nfs/dbraw/zinc/69/84/11/495698411.db2.gz WRMZMHHJCHPLFM-OALUTQOASA-N 2 1 369.553 3.425 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725889 495698413 /nfs/dbraw/zinc/69/84/13/495698413.db2.gz WRMZMHHJCHPLFM-OALUTQOASA-N 2 1 369.553 3.425 20 0 FGADMP COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730949 495701442 /nfs/dbraw/zinc/70/14/42/495701442.db2.gz NOUJJJVFBXCWTG-IAGOWNOFSA-N 2 1 360.498 3.095 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000154738200 495712335 /nfs/dbraw/zinc/71/23/35/495712335.db2.gz SQVCAGFEOFZCAY-RTWAWAEBSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000154738200 495712340 /nfs/dbraw/zinc/71/23/40/495712340.db2.gz SQVCAGFEOFZCAY-RTWAWAEBSA-N 2 1 360.542 3.179 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834553 495712807 /nfs/dbraw/zinc/71/28/07/495712807.db2.gz ZZJZIQLQOBSBGT-LJQANCHMSA-N 2 1 371.529 3.058 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388219 495851223 /nfs/dbraw/zinc/85/12/23/495851223.db2.gz RDLVNOSPZBFHKW-QGZVFWFLSA-N 2 1 359.514 3.138 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000183141158 495851845 /nfs/dbraw/zinc/85/18/45/495851845.db2.gz IMAGARSYBCZFCW-INIZCTEOSA-N 2 1 373.460 3.348 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)Nc2nccs2)cc1 ZINC000183157476 495859568 /nfs/dbraw/zinc/85/95/68/495859568.db2.gz SARAQNRSOAMTEG-QWHCGFSZSA-N 2 1 355.467 3.315 20 0 FGADMP CCN(CC)C(=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180126981 495869517 /nfs/dbraw/zinc/86/95/17/495869517.db2.gz GJZRIGNUQADAGK-SEJPIABJSA-N 2 1 357.542 3.420 20 0 FGADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000180182861 495894627 /nfs/dbraw/zinc/89/46/27/495894627.db2.gz GLKHGZLVHJBNFG-LJQANCHMSA-N 2 1 369.484 3.121 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060787 495905674 /nfs/dbraw/zinc/90/56/74/495905674.db2.gz NELHAWVUPSXVPB-SAKMYQHLSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060787 495905681 /nfs/dbraw/zinc/90/56/81/495905681.db2.gz NELHAWVUPSXVPB-SAKMYQHLSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060787 495905688 /nfs/dbraw/zinc/90/56/88/495905688.db2.gz NELHAWVUPSXVPB-SAKMYQHLSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060787 495905692 /nfs/dbraw/zinc/90/56/92/495905692.db2.gz NELHAWVUPSXVPB-SAKMYQHLSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000177298327 496010466 /nfs/dbraw/zinc/01/04/66/496010466.db2.gz YLJUUSPNFXFZFE-OAHLLOKOSA-N 2 1 368.363 3.373 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@H](C)C1 ZINC000174629425 496038446 /nfs/dbraw/zinc/03/84/46/496038446.db2.gz JQAWCDPGOPXXOX-HIFRSBDPSA-N 2 1 360.420 3.456 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@H](C)C1 ZINC000174629425 496038447 /nfs/dbraw/zinc/03/84/47/496038447.db2.gz JQAWCDPGOPXXOX-HIFRSBDPSA-N 2 1 360.420 3.456 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@H](C)C1 ZINC000174629442 496038652 /nfs/dbraw/zinc/03/86/52/496038652.db2.gz JQAWCDPGOPXXOX-UKRRQHHQSA-N 2 1 360.420 3.456 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@H](C)C1 ZINC000174629442 496038653 /nfs/dbraw/zinc/03/86/53/496038653.db2.gz JQAWCDPGOPXXOX-UKRRQHHQSA-N 2 1 360.420 3.456 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000183653755 496064241 /nfs/dbraw/zinc/06/42/41/496064241.db2.gz QHNNUKHUMDYRIN-QFIPXVFZSA-N 2 1 370.541 3.197 20 0 FGADMP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000177458661 496070190 /nfs/dbraw/zinc/07/01/90/496070190.db2.gz ZIBRXUMVZYLPSG-FQEVSTJZSA-N 2 1 355.482 3.011 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@@H](C)O1 ZINC000177506866 496090143 /nfs/dbraw/zinc/09/01/43/496090143.db2.gz SSFXBTXYJXAOKU-HZPDHXFCSA-N 2 1 351.922 3.446 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000183803222 496122595 /nfs/dbraw/zinc/12/25/95/496122595.db2.gz MKTILWYURQBUKH-ZWKOTPCHSA-N 2 1 362.514 3.257 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000183803222 496122599 /nfs/dbraw/zinc/12/25/99/496122599.db2.gz MKTILWYURQBUKH-ZWKOTPCHSA-N 2 1 362.514 3.257 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1Br)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152370576 496130250 /nfs/dbraw/zinc/13/02/50/496130250.db2.gz ICJYFNLWLTZDMG-ZIAGYGMSSA-N 2 1 368.319 3.050 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699711 496163811 /nfs/dbraw/zinc/16/38/11/496163811.db2.gz LDYJNBQKFQEBPW-PKOBYXMFSA-N 2 1 361.530 3.433 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000156393581 496233259 /nfs/dbraw/zinc/23/32/59/496233259.db2.gz SCOBRKBBAWDJEU-NRFANRHFSA-N 2 1 374.573 3.306 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@H](C)C1 ZINC000181101762 496270671 /nfs/dbraw/zinc/27/06/71/496270671.db2.gz FILMHHAJJCRGSP-LZQZEXGQSA-N 2 1 354.922 3.100 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000156670186 496308169 /nfs/dbraw/zinc/30/81/69/496308169.db2.gz PIQFZTBGMQQBFE-FGTMMUONSA-N 2 1 356.432 3.167 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000156670186 496308173 /nfs/dbraw/zinc/30/81/73/496308173.db2.gz PIQFZTBGMQQBFE-FGTMMUONSA-N 2 1 356.432 3.167 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172544239 496335913 /nfs/dbraw/zinc/33/59/13/496335913.db2.gz ZETIIWMCFYDWOY-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172544239 496335917 /nfs/dbraw/zinc/33/59/17/496335917.db2.gz ZETIIWMCFYDWOY-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172544239 496335925 /nfs/dbraw/zinc/33/59/25/496335925.db2.gz ZETIIWMCFYDWOY-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000181279549 496337666 /nfs/dbraw/zinc/33/76/66/496337666.db2.gz DIIFDLLYJHIVGN-AOIWGVFYSA-N 2 1 361.530 3.115 20 0 FGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187229175 496349776 /nfs/dbraw/zinc/34/97/76/496349776.db2.gz KFAHTLDADWPCLK-OAQYLSRUSA-N 2 1 369.509 3.084 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(O)ccc2Br)C[C@H](C)O1 ZINC000178162616 496351841 /nfs/dbraw/zinc/35/18/41/496351841.db2.gz KCYGDGPMQPABJF-OKILXGFUSA-N 2 1 371.319 3.134 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000153101522 496353844 /nfs/dbraw/zinc/35/38/44/496353844.db2.gz VXSCIWKUNMLRCK-UHFFFAOYSA-N 2 1 356.514 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000153101522 496353850 /nfs/dbraw/zinc/35/38/50/496353850.db2.gz VXSCIWKUNMLRCK-UHFFFAOYSA-N 2 1 356.514 3.423 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCCc2ccccc2)cc1 ZINC000181409704 496383470 /nfs/dbraw/zinc/38/34/70/496383470.db2.gz JYYGUCKBLVHOCB-KRWDZBQOSA-N 2 1 362.477 3.190 20 0 FGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CCCC[NH+]1CCOCC1 ZINC000178303959 496405014 /nfs/dbraw/zinc/40/50/14/496405014.db2.gz JBCDRXRZEJGHMB-UHFFFAOYSA-N 2 1 359.514 3.032 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508816 496417294 /nfs/dbraw/zinc/41/72/94/496417294.db2.gz JUSYTSMOPFCOCC-FGTMMUONSA-N 2 1 358.530 3.028 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848525 496421513 /nfs/dbraw/zinc/42/15/13/496421513.db2.gz LCWSSZRXXQBCJL-OYRHEFFESA-N 2 1 373.585 3.173 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848525 496421517 /nfs/dbraw/zinc/42/15/17/496421517.db2.gz LCWSSZRXXQBCJL-OYRHEFFESA-N 3 1 373.585 3.173 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848525 496421520 /nfs/dbraw/zinc/42/15/20/496421520.db2.gz LCWSSZRXXQBCJL-OYRHEFFESA-N 3 1 373.585 3.173 20 0 FGADMP COCc1noc([C@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702693 496508409 /nfs/dbraw/zinc/50/84/09/496508409.db2.gz VIMNGRHEUYTZAC-INIZCTEOSA-N 2 1 358.486 3.121 20 0 FGADMP COCc1noc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702693 496508412 /nfs/dbraw/zinc/50/84/12/496508412.db2.gz VIMNGRHEUYTZAC-INIZCTEOSA-N 2 1 358.486 3.121 20 0 FGADMP COCc1noc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702693 496508416 /nfs/dbraw/zinc/50/84/16/496508416.db2.gz VIMNGRHEUYTZAC-INIZCTEOSA-N 2 1 358.486 3.121 20 0 FGADMP COCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000163426640 496514418 /nfs/dbraw/zinc/51/44/18/496514418.db2.gz MVJCHWFMZUBXEL-KBPBESRZSA-N 2 1 356.894 3.119 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCc1ccccc1 ZINC000184745217 496516681 /nfs/dbraw/zinc/51/66/81/496516681.db2.gz QIOJYILPHGNKKX-RTBURBONSA-N 2 1 365.521 3.049 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000571952056 505853991 /nfs/dbraw/zinc/85/39/91/505853991.db2.gz BLBMPDGXBBHFCW-WOJBJXKFSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[N@@H+](CC)CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000574781455 505854229 /nfs/dbraw/zinc/85/42/29/505854229.db2.gz YJZCVKFGHHSMNL-HXUWFJFHSA-N 2 1 361.530 3.070 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000175946371 496612611 /nfs/dbraw/zinc/61/26/11/496612611.db2.gz PTZDGROXPMVPEK-HXUWFJFHSA-N 2 1 361.505 3.169 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000175946371 496612620 /nfs/dbraw/zinc/61/26/20/496612620.db2.gz PTZDGROXPMVPEK-HXUWFJFHSA-N 2 1 361.505 3.169 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000153934611 496629081 /nfs/dbraw/zinc/62/90/81/496629081.db2.gz FOTCHHDLRWRHAI-MXEMCNAFSA-N 2 1 351.579 3.072 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000153934611 496629084 /nfs/dbraw/zinc/62/90/84/496629084.db2.gz FOTCHHDLRWRHAI-MXEMCNAFSA-N 2 1 351.579 3.072 20 0 FGADMP C[C@H](c1ccccc1Cl)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000580867482 505855989 /nfs/dbraw/zinc/85/59/89/505855989.db2.gz LUODTBLDVMFRIC-MRXNPFEDSA-N 2 1 363.933 3.277 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Nc1ccccc1 ZINC000164980328 496642676 /nfs/dbraw/zinc/64/26/76/496642676.db2.gz AKMGYRJPVOQCTI-UHFFFAOYSA-N 2 1 369.484 3.451 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000176014050 496642777 /nfs/dbraw/zinc/64/27/77/496642777.db2.gz HFSJWBNSOWXDPM-UHFFFAOYSA-N 2 1 362.562 3.053 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H](C)C1 ZINC000165529432 496661257 /nfs/dbraw/zinc/66/12/57/496661257.db2.gz SHWBERJFESXBDR-WIYYLYMNSA-N 2 1 369.509 3.359 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H](C)C1 ZINC000165529432 496661260 /nfs/dbraw/zinc/66/12/60/496661260.db2.gz SHWBERJFESXBDR-WIYYLYMNSA-N 2 1 369.509 3.359 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000182225606 496713585 /nfs/dbraw/zinc/71/35/85/496713585.db2.gz BPEJVMKONJSOFQ-NFBKMPQASA-N 2 1 366.505 3.429 20 0 FGADMP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182345085 496730658 /nfs/dbraw/zinc/73/06/58/496730658.db2.gz ZWPMNHHKSFJTDA-JKSUJKDBSA-N 2 1 364.578 3.248 20 0 FGADMP CS[C@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354694 496731102 /nfs/dbraw/zinc/73/11/02/496731102.db2.gz CAIDHYHLEMBAEU-ROUUACIJSA-N 2 1 372.644 3.438 20 0 FGADMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246964871 496736957 /nfs/dbraw/zinc/73/69/57/496736957.db2.gz OJKDNOKXHUMHBC-KVPLUYHFSA-N 2 1 355.526 3.159 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000273218801 496744059 /nfs/dbraw/zinc/74/40/59/496744059.db2.gz MRGCAQPCYPWWMO-VOBGVNJCSA-N 2 1 357.542 3.465 20 0 FGADMP c1cn(Cc2ccccc2)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000247008389 496750320 /nfs/dbraw/zinc/75/03/20/496750320.db2.gz XFMNDYQJCXXFMT-PZJWPPBQSA-N 2 1 350.510 3.380 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000247028947 496756715 /nfs/dbraw/zinc/75/67/15/496756715.db2.gz QWPONJCDNGIKOA-RTBURBONSA-N 2 1 364.578 3.155 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247061976 496767543 /nfs/dbraw/zinc/76/75/43/496767543.db2.gz PONDWBPJYRNQDB-NXNVCVFFSA-N 2 1 351.922 3.246 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000247067857 496769881 /nfs/dbraw/zinc/76/98/81/496769881.db2.gz MLHCXDCPPDEFTC-RTWAWAEBSA-N 2 1 360.542 3.302 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000247067857 496769883 /nfs/dbraw/zinc/76/98/83/496769883.db2.gz MLHCXDCPPDEFTC-RTWAWAEBSA-N 2 1 360.542 3.302 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000247120702 496785165 /nfs/dbraw/zinc/78/51/65/496785165.db2.gz PRQKYXAOBLFQNG-QMTMVMCOSA-N 2 1 359.514 3.436 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788977 496786689 /nfs/dbraw/zinc/78/66/89/496786689.db2.gz LEARRUCMKKAGAA-GQIGUUNPSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788977 496786694 /nfs/dbraw/zinc/78/66/94/496786694.db2.gz LEARRUCMKKAGAA-GQIGUUNPSA-N 2 1 352.482 3.152 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000191505704 496789044 /nfs/dbraw/zinc/78/90/44/496789044.db2.gz YFEDGMNPHLJLMY-UHFFFAOYSA-N 2 1 372.538 3.296 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCSc2ccccc21 ZINC000191505704 496789047 /nfs/dbraw/zinc/78/90/47/496789047.db2.gz YFEDGMNPHLJLMY-UHFFFAOYSA-N 2 1 372.538 3.296 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140799 496791301 /nfs/dbraw/zinc/79/13/01/496791301.db2.gz SILJVOLGSNXUBW-GMAHTHKFSA-N 3 1 372.601 3.217 20 0 FGADMP CCN1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140799 496791308 /nfs/dbraw/zinc/79/13/08/496791308.db2.gz SILJVOLGSNXUBW-GMAHTHKFSA-N 2 1 372.601 3.217 20 0 FGADMP COC[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000247146736 496792603 /nfs/dbraw/zinc/79/26/03/496792603.db2.gz YEPOFGYSAPNOBW-WOJBJXKFSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+]1CCC(C[NH2+][C@@H](c2cccs2)c2ncc[nH]2)(N2CCCCC2)CC1 ZINC000195046954 496802735 /nfs/dbraw/zinc/80/27/35/496802735.db2.gz MDIKNEHSBGCBSC-SFHVURJKSA-N 2 1 373.570 3.101 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000273444993 496807909 /nfs/dbraw/zinc/80/79/09/496807909.db2.gz HTWYTDPIEJRJHD-KRWDZBQOSA-N 2 1 360.546 3.010 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000273444994 496808500 /nfs/dbraw/zinc/80/85/00/496808500.db2.gz HTWYTDPIEJRJHD-QGZVFWFLSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cnccn2)cc1OC ZINC000268874440 496811625 /nfs/dbraw/zinc/81/16/25/496811625.db2.gz PZAPUGIYVBUWKN-INIZCTEOSA-N 2 1 358.486 3.057 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[NH+](C)C2)cc1 ZINC000247240743 496812584 /nfs/dbraw/zinc/81/25/84/496812584.db2.gz VGNPQBPWTBIBBT-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000247240743 496812589 /nfs/dbraw/zinc/81/25/89/496812589.db2.gz VGNPQBPWTBIBBT-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000247240743 496812593 /nfs/dbraw/zinc/81/25/93/496812593.db2.gz VGNPQBPWTBIBBT-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)nc12 ZINC000273492682 496821483 /nfs/dbraw/zinc/82/14/83/496821483.db2.gz XDVNDQODGWXBFI-HIFRSBDPSA-N 2 1 365.319 3.020 20 0 FGADMP COC(=O)[C@@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000191591016 496823824 /nfs/dbraw/zinc/82/38/24/496823824.db2.gz DYDKJIDCROLFPP-QHCPKHFHSA-N 2 1 366.505 3.372 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000268972591 496839547 /nfs/dbraw/zinc/83/95/47/496839547.db2.gz ATZFHJXLBGEYST-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000247540967 496883750 /nfs/dbraw/zinc/88/37/50/496883750.db2.gz QUZCTRPKKCWOLR-TXPKVOOTSA-N 2 1 363.546 3.217 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]2CCCO[C@@H]21 ZINC000191837208 496905839 /nfs/dbraw/zinc/90/58/39/496905839.db2.gz NDPBQSUUJISSPS-MHTWAQMVSA-N 2 1 358.526 3.071 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]2CCCO[C@@H]21 ZINC000191837208 496905843 /nfs/dbraw/zinc/90/58/43/496905843.db2.gz NDPBQSUUJISSPS-MHTWAQMVSA-N 2 1 358.526 3.071 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)CC2)cs1 ZINC000247979356 496937086 /nfs/dbraw/zinc/93/70/86/496937086.db2.gz IETMZUHPKHEASP-VQIMIIECSA-N 2 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)CC2)cs1 ZINC000247979356 496937091 /nfs/dbraw/zinc/93/70/91/496937091.db2.gz IETMZUHPKHEASP-VQIMIIECSA-N 3 1 364.603 3.237 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)CC2)cs1 ZINC000247979356 496937096 /nfs/dbraw/zinc/93/70/96/496937096.db2.gz IETMZUHPKHEASP-VQIMIIECSA-N 3 1 364.603 3.237 20 0 FGADMP CC(C)C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248009989 496942984 /nfs/dbraw/zinc/94/29/84/496942984.db2.gz LEHJMGSNHMVDCW-ACRUOGEOSA-N 2 1 357.542 3.306 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000248200197 496972600 /nfs/dbraw/zinc/97/26/00/496972600.db2.gz YKUAJWRSYRZHDQ-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248217394 496973440 /nfs/dbraw/zinc/97/34/40/496973440.db2.gz ZWJJSIKSZPROHZ-NRDMVMEKSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248217394 496973445 /nfs/dbraw/zinc/97/34/45/496973445.db2.gz ZWJJSIKSZPROHZ-NRDMVMEKSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248217394 496973450 /nfs/dbraw/zinc/97/34/50/496973450.db2.gz ZWJJSIKSZPROHZ-NRDMVMEKSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248217394 496973451 /nfs/dbraw/zinc/97/34/51/496973451.db2.gz ZWJJSIKSZPROHZ-NRDMVMEKSA-N 2 1 357.542 3.449 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248410509 497001044 /nfs/dbraw/zinc/00/10/44/497001044.db2.gz XZVGXXMNMQEQLW-SSGKUCQKSA-N 3 1 373.585 3.234 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248554112 497036864 /nfs/dbraw/zinc/03/68/64/497036864.db2.gz HPHGWECGPKZWOY-FRQCXROJSA-N 2 1 366.933 3.322 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000248563299 497041242 /nfs/dbraw/zinc/04/12/42/497041242.db2.gz NUXKTRBALRCMTD-AZUAARDMSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248563299 497041245 /nfs/dbraw/zinc/04/12/45/497041245.db2.gz NUXKTRBALRCMTD-AZUAARDMSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248563299 497041250 /nfs/dbraw/zinc/04/12/50/497041250.db2.gz NUXKTRBALRCMTD-AZUAARDMSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000248563299 497041252 /nfs/dbraw/zinc/04/12/52/497041252.db2.gz NUXKTRBALRCMTD-AZUAARDMSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000248563299 497041255 /nfs/dbraw/zinc/04/12/55/497041255.db2.gz NUXKTRBALRCMTD-AZUAARDMSA-N 2 1 361.574 3.220 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000274232897 497046804 /nfs/dbraw/zinc/04/68/04/497046804.db2.gz VIKMXVVBSFSYSE-AVRDEDQJSA-N 2 1 374.488 3.182 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574911190 505882004 /nfs/dbraw/zinc/88/20/04/505882004.db2.gz MOJJWFMXUVKHNC-XXHMAFKTSA-N 2 1 356.489 3.032 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCC5)[C@H]3C2)cc1 ZINC000248722691 497088438 /nfs/dbraw/zinc/08/84/38/497088438.db2.gz MJQPIFTUYSZUNZ-LLTZGFESSA-N 2 1 352.522 3.444 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OC(F)F ZINC000278371208 497091314 /nfs/dbraw/zinc/09/13/14/497091314.db2.gz BXCLYNHXNDZCCE-CABCVRRESA-N 2 1 372.456 3.448 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000569231016 505884516 /nfs/dbraw/zinc/88/45/16/505884516.db2.gz ZUPNWPXKJQJXLP-RXVVDRJESA-N 2 1 372.557 3.058 20 0 FGADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000278433735 497112360 /nfs/dbraw/zinc/11/23/60/497112360.db2.gz SLLPAOBGDIJANP-UHFFFAOYSA-N 2 1 363.303 3.068 20 0 FGADMP CCOC(=O)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828294 497113103 /nfs/dbraw/zinc/11/31/03/497113103.db2.gz GTSPNQWSAKCTJB-HAGHYFMRSA-N 2 1 357.498 3.002 20 0 FGADMP C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200224 505885288 /nfs/dbraw/zinc/88/52/88/505885288.db2.gz LADQFUNPOAICBC-NQIIRXRSSA-N 2 1 368.481 3.258 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCS2 ZINC000248854378 497118586 /nfs/dbraw/zinc/11/85/86/497118586.db2.gz QSNQUGOGMFBSNV-MAUKXSAKSA-N 2 1 350.528 3.059 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000192472649 497125381 /nfs/dbraw/zinc/12/53/81/497125381.db2.gz IQUUYHTUKFPZRT-UHFFFAOYSA-N 2 1 372.326 3.096 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000192537029 497143587 /nfs/dbraw/zinc/14/35/87/497143587.db2.gz XRKOHLGXBLCGHV-MOXGXCLJSA-N 2 1 357.523 3.121 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000236804243 497149098 /nfs/dbraw/zinc/14/90/98/497149098.db2.gz ADZOPEXJRWMQOZ-LEWJYISDSA-N 3 1 358.574 3.181 20 0 FGADMP Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278685876 497189372 /nfs/dbraw/zinc/18/93/72/497189372.db2.gz RYWKSRJNBJCQSZ-LEWJYISDSA-N 2 1 368.525 3.455 20 0 FGADMP Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278685876 497189376 /nfs/dbraw/zinc/18/93/76/497189376.db2.gz RYWKSRJNBJCQSZ-LEWJYISDSA-N 2 1 368.525 3.455 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301492 497190483 /nfs/dbraw/zinc/19/04/83/497190483.db2.gz SAJPEXBBCWGWOP-RBUKOAKNSA-N 2 1 365.587 3.052 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249438330 497204069 /nfs/dbraw/zinc/20/40/69/497204069.db2.gz SPQFXBBPUOSCDZ-TZMCWYRMSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249438330 497204071 /nfs/dbraw/zinc/20/40/71/497204071.db2.gz SPQFXBBPUOSCDZ-TZMCWYRMSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249438330 497204073 /nfs/dbraw/zinc/20/40/73/497204073.db2.gz SPQFXBBPUOSCDZ-TZMCWYRMSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249438330 497204076 /nfs/dbraw/zinc/20/40/76/497204076.db2.gz SPQFXBBPUOSCDZ-TZMCWYRMSA-N 2 1 356.379 3.149 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000265946149 497214675 /nfs/dbraw/zinc/21/46/75/497214675.db2.gz JQMGSCIQJIHHTF-NQIIRXRSSA-N 2 1 357.542 3.475 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192925221 497248276 /nfs/dbraw/zinc/24/82/76/497248276.db2.gz PFRODOWWGLUFMH-LJQANCHMSA-N 2 1 370.493 3.290 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192925221 497248280 /nfs/dbraw/zinc/24/82/80/497248280.db2.gz PFRODOWWGLUFMH-LJQANCHMSA-N 2 1 370.493 3.290 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237520154 497249821 /nfs/dbraw/zinc/24/98/21/497249821.db2.gz CNSCVAMSUQNALV-PXNSSMCTSA-N 2 1 355.526 3.067 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000266094167 497254031 /nfs/dbraw/zinc/25/40/31/497254031.db2.gz QDPPWWLNWLKQSY-UHFFFAOYSA-N 2 1 354.498 3.000 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271166016 497278727 /nfs/dbraw/zinc/27/87/27/497278727.db2.gz CHEMINDTEAQEKD-GOSISDBHSA-N 2 1 368.481 3.256 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000271166016 497278736 /nfs/dbraw/zinc/27/87/36/497278736.db2.gz CHEMINDTEAQEKD-GOSISDBHSA-N 2 1 368.481 3.256 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ncc(Br)cc1F ZINC000278955913 497281475 /nfs/dbraw/zinc/28/14/75/497281475.db2.gz LUXNLZBIDLIGAN-WDEREUQCSA-N 2 1 353.239 3.093 20 0 FGADMP Clc1ccc2ncc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2c1 ZINC000271191007 497285848 /nfs/dbraw/zinc/28/58/48/497285848.db2.gz POWDXTOSYYQEEB-UHFFFAOYSA-N 2 1 362.905 3.065 20 0 FGADMP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccccc1 ZINC000237889252 497308211 /nfs/dbraw/zinc/30/82/11/497308211.db2.gz JMYVXIDRLQATOM-LPHOPBHVSA-N 2 1 357.523 3.166 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000252663256 497316984 /nfs/dbraw/zinc/31/69/84/497316984.db2.gz SKSKGACQAQDVLX-RKVPGOIHSA-N 2 1 360.889 3.124 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000238009946 497327552 /nfs/dbraw/zinc/32/75/52/497327552.db2.gz ILRSQLDIHWSLEE-BDTNDASRSA-N 2 1 363.505 3.200 20 0 FGADMP Cc1cc(N2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)nc(C)[nH+]1 ZINC000193309942 497346230 /nfs/dbraw/zinc/34/62/30/497346230.db2.gz KQFRKDAUNRNHOS-UHFFFAOYSA-N 2 1 366.509 3.220 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000279157999 497351680 /nfs/dbraw/zinc/35/16/80/497351680.db2.gz TWRFWJJMNLMCOQ-WKCHPHFGSA-N 2 1 364.493 3.325 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000279157999 497351687 /nfs/dbraw/zinc/35/16/87/497351687.db2.gz TWRFWJJMNLMCOQ-WKCHPHFGSA-N 2 1 364.493 3.325 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)c4ccccc43)CC2)CC1 ZINC000575000622 505902185 /nfs/dbraw/zinc/90/21/85/505902185.db2.gz IOFMLISGBLYLHF-QGZVFWFLSA-N 2 1 355.526 3.333 20 0 FGADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000279209918 497368909 /nfs/dbraw/zinc/36/89/09/497368909.db2.gz OZOJHDNKZOPQPO-NRFANRHFSA-N 2 1 370.541 3.030 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558921 497383246 /nfs/dbraw/zinc/38/32/46/497383246.db2.gz WLVTWIVGHCHECA-RCCFBDPRSA-N 2 1 350.503 3.330 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000245424513 497398625 /nfs/dbraw/zinc/39/86/25/497398625.db2.gz KDOCJDKORXASOS-WMLDXEAASA-N 2 1 367.921 3.258 20 0 FGADMP CCOc1ccc(-c2noc(CN(C)[C@H]3CC[N@@H+](CC)C[C@@H]3C)n2)cc1 ZINC000245429092 497400658 /nfs/dbraw/zinc/40/06/58/497400658.db2.gz MWHDHYPQZZQSOT-YJBOKZPZSA-N 2 1 358.486 3.297 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190211783 497401430 /nfs/dbraw/zinc/40/14/30/497401430.db2.gz UPTHUHFDENMWNO-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccc2)cs1 ZINC000261681728 497432223 /nfs/dbraw/zinc/43/22/23/497432223.db2.gz AHHBKGYTARSBEH-SFHVURJKSA-N 2 1 357.523 3.235 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245586045 497464840 /nfs/dbraw/zinc/46/48/40/497464840.db2.gz MHMUYOFMZXBCCZ-OALUTQOASA-N 2 1 363.933 3.322 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245586045 497464845 /nfs/dbraw/zinc/46/48/45/497464845.db2.gz MHMUYOFMZXBCCZ-OALUTQOASA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261966811 497484133 /nfs/dbraw/zinc/48/41/33/497484133.db2.gz AXQUUYUONHIPPG-ALVUQRRPSA-N 2 1 369.553 3.167 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000261978475 497486667 /nfs/dbraw/zinc/48/66/67/497486667.db2.gz BVCPVCPREFWRGT-QGZVFWFLSA-N 2 1 351.494 3.187 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245652602 497489975 /nfs/dbraw/zinc/48/99/75/497489975.db2.gz CAWAJPFEYCRROI-JFIYKMOQSA-N 2 1 366.575 3.161 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000262009433 497491047 /nfs/dbraw/zinc/49/10/47/497491047.db2.gz HEIDLTCBXWMCRZ-KRWDZBQOSA-N 2 1 358.511 3.242 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000262009433 497491052 /nfs/dbraw/zinc/49/10/52/497491052.db2.gz HEIDLTCBXWMCRZ-KRWDZBQOSA-N 2 1 358.511 3.242 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245665622 497494451 /nfs/dbraw/zinc/49/44/51/497494451.db2.gz GOZAPRZHRYXTST-WKCHPHFGSA-N 2 1 371.525 3.393 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1OC1CCCC1 ZINC000262025516 497494657 /nfs/dbraw/zinc/49/46/57/497494657.db2.gz WYYWMLVAEBIGQO-ZCNNSNEGSA-N 2 1 374.525 3.263 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670574 497495078 /nfs/dbraw/zinc/49/50/78/497495078.db2.gz HHEFVXZJJJAXOS-MYGLTJDJSA-N 2 1 362.521 3.446 20 0 FGADMP O=C(CC[N@@H+]1CCCC[C@@H]1c1ccccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000262120718 497511871 /nfs/dbraw/zinc/51/18/71/497511871.db2.gz NIUZBCUDVBSPQL-QGZVFWFLSA-N 2 1 369.431 3.054 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000279703047 497514009 /nfs/dbraw/zinc/51/40/09/497514009.db2.gz JPHOSOINZFDADX-IBGZPJMESA-N 2 1 361.917 3.047 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000262141314 497514070 /nfs/dbraw/zinc/51/40/70/497514070.db2.gz MKFANUDPLHBXHQ-UHFFFAOYSA-N 2 1 368.319 3.018 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262236930 497527573 /nfs/dbraw/zinc/52/75/73/497527573.db2.gz OQOPDPURJWHSPL-DOTOQJQBSA-N 2 1 363.571 3.126 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245883062 497559160 /nfs/dbraw/zinc/55/91/60/497559160.db2.gz LENYTBJVOQXQHQ-BHDDXSALSA-N 2 1 371.569 3.117 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000268042119 497666583 /nfs/dbraw/zinc/66/65/83/497666583.db2.gz YNHUBPCPPRHFJE-NRSPTQNISA-N 2 1 372.557 3.114 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccn3ccnc3c2)C1 ZINC000246280325 497682022 /nfs/dbraw/zinc/68/20/22/497682022.db2.gz UHBKNZGLBNKIIZ-PKOBYXMFSA-N 2 1 369.513 3.130 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000246330543 497696981 /nfs/dbraw/zinc/69/69/81/497696981.db2.gz IAMUQEWUXGMEGH-HBFSDRIKSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000246330543 497696988 /nfs/dbraw/zinc/69/69/88/497696988.db2.gz IAMUQEWUXGMEGH-HBFSDRIKSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000246330543 497696990 /nfs/dbraw/zinc/69/69/90/497696990.db2.gz IAMUQEWUXGMEGH-HBFSDRIKSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000246330543 497696998 /nfs/dbraw/zinc/69/69/98/497696998.db2.gz IAMUQEWUXGMEGH-HBFSDRIKSA-N 2 1 364.505 3.152 20 0 FGADMP COc1ccc(C[N@H+](CCc2ccccn2)CCn2ccnc2C)cc1 ZINC000280277098 497704814 /nfs/dbraw/zinc/70/48/14/497704814.db2.gz DEMKVXTXVKTVTR-UHFFFAOYSA-N 2 1 350.466 3.340 20 0 FGADMP COc1ccc(C[N@H+](CCc2ccccn2)CCn2cc[nH+]c2C)cc1 ZINC000280277098 497704820 /nfs/dbraw/zinc/70/48/20/497704820.db2.gz DEMKVXTXVKTVTR-UHFFFAOYSA-N 2 1 350.466 3.340 20 0 FGADMP CCN(Cc1nccc(OC)c1OC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191106776 497711925 /nfs/dbraw/zinc/71/19/25/497711925.db2.gz QWZBYLBTGWMHTG-GOSISDBHSA-N 2 1 355.482 3.195 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246392195 497718554 /nfs/dbraw/zinc/71/85/54/497718554.db2.gz JEQVRXKEUOBWSA-SLFFLAALSA-N 2 1 366.594 3.115 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000246404606 497723222 /nfs/dbraw/zinc/72/32/22/497723222.db2.gz QICCZRLGASRNGR-VQTJNVASSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000246404606 497723228 /nfs/dbraw/zinc/72/32/28/497723228.db2.gz QICCZRLGASRNGR-VQTJNVASSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000246404606 497723233 /nfs/dbraw/zinc/72/32/33/497723233.db2.gz QICCZRLGASRNGR-VQTJNVASSA-N 2 1 366.594 3.166 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000246422798 497729615 /nfs/dbraw/zinc/72/96/15/497729615.db2.gz NHQUTAGPMZUQAA-RRQGHBQHSA-N 2 1 351.560 3.432 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246427034 497731015 /nfs/dbraw/zinc/73/10/15/497731015.db2.gz MHITVUGLDPKZFK-YRPNKDGESA-N 2 1 366.594 3.116 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246427034 497731017 /nfs/dbraw/zinc/73/10/17/497731017.db2.gz MHITVUGLDPKZFK-YRPNKDGESA-N 2 1 366.594 3.116 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246427034 497731020 /nfs/dbraw/zinc/73/10/20/497731020.db2.gz MHITVUGLDPKZFK-YRPNKDGESA-N 2 1 366.594 3.116 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)[C@@H](C)C1 ZINC000246521998 497762422 /nfs/dbraw/zinc/76/24/22/497762422.db2.gz URFLCNSNSZFDFA-KNBMTAEXSA-N 2 1 373.545 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)[C@@H](C)C1 ZINC000246521998 497762425 /nfs/dbraw/zinc/76/24/25/497762425.db2.gz URFLCNSNSZFDFA-KNBMTAEXSA-N 2 1 373.545 3.134 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246546003 497769724 /nfs/dbraw/zinc/76/97/24/497769724.db2.gz WWPAWKMESDBCEW-VXKWHMMOSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246546003 497769727 /nfs/dbraw/zinc/76/97/27/497769727.db2.gz WWPAWKMESDBCEW-VXKWHMMOSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246546003 497769729 /nfs/dbraw/zinc/76/97/29/497769729.db2.gz WWPAWKMESDBCEW-VXKWHMMOSA-N 2 1 371.569 3.383 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000246579370 497780094 /nfs/dbraw/zinc/78/00/94/497780094.db2.gz SBBPGSYGNYDTRT-RBBKRZOGSA-N 2 1 365.521 3.447 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246704729 497802097 /nfs/dbraw/zinc/80/20/97/497802097.db2.gz WOCNUTYVFFAQDK-RMVXJAJNSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246750985 497808072 /nfs/dbraw/zinc/80/80/72/497808072.db2.gz ZVZSKLIPLNJNEK-CZTZKLFOSA-N 2 1 365.521 3.303 20 0 FGADMP c1nnn(Cc2ccccc2)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000292042096 497852527 /nfs/dbraw/zinc/85/25/27/497852527.db2.gz ZNESOVATELASTQ-UHFFFAOYSA-N 2 1 361.493 3.212 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@H]21 ZINC000569487155 505946533 /nfs/dbraw/zinc/94/65/33/505946533.db2.gz FEMULMMWFBSUMK-RQGSJKACSA-N 2 1 373.516 3.232 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@H]21 ZINC000569487155 505946534 /nfs/dbraw/zinc/94/65/34/505946534.db2.gz FEMULMMWFBSUMK-RQGSJKACSA-N 2 1 373.516 3.232 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000569473877 505943695 /nfs/dbraw/zinc/94/36/95/505943695.db2.gz YQULFJAEAKHNON-WOJBJXKFSA-N 2 1 361.574 3.220 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)nn1 ZINC000578486601 505951792 /nfs/dbraw/zinc/95/17/92/505951792.db2.gz XSOFMGXDHOGOGP-MRXNPFEDSA-N 2 1 371.485 3.442 20 0 FGADMP C[NH+]1CCN(C(=O)Nc2ccc(SCC[NH+]3CCCCC3)cc2)CC1 ZINC000581308800 505957717 /nfs/dbraw/zinc/95/77/17/505957717.db2.gz GYPDHNYGCGOZDZ-UHFFFAOYSA-N 2 1 362.543 3.044 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC3(CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000330112681 498025621 /nfs/dbraw/zinc/02/56/21/498025621.db2.gz CEUQHCFCKNSVSW-MJGOQNOKSA-N 2 1 373.545 3.157 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC3(CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000330112681 498025627 /nfs/dbraw/zinc/02/56/27/498025627.db2.gz CEUQHCFCKNSVSW-MJGOQNOKSA-N 2 1 373.545 3.157 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cncc(F)c3)C3CC3)cc2)CC1 ZINC000281162023 498038726 /nfs/dbraw/zinc/03/87/26/498038726.db2.gz HFYKCTIQPLCEQC-JOCHJYFZSA-N 2 1 368.500 3.209 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000285330037 498054102 /nfs/dbraw/zinc/05/41/02/498054102.db2.gz UFJIWCJRWWNBNI-HWELCPFYSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000569596214 505972811 /nfs/dbraw/zinc/97/28/11/505972811.db2.gz ZVCMODVMNWWHHU-FXAWDEMLSA-N 2 1 372.484 3.381 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2ccco2)CC1 ZINC000285379541 498067414 /nfs/dbraw/zinc/06/74/14/498067414.db2.gz WIKOTJPEZWDJPI-UHFFFAOYSA-N 2 1 355.482 3.042 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000364663929 498076387 /nfs/dbraw/zinc/07/63/87/498076387.db2.gz OYDAWQRYONHUIP-MDNKFWRPSA-N 2 1 360.546 3.366 20 0 FGADMP C[NH+](C)CCOc1cccc(-c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000289249983 498077913 /nfs/dbraw/zinc/07/79/13/498077913.db2.gz XDLSGUZVSCANND-LJQANCHMSA-N 2 1 366.465 3.328 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000289272027 498086806 /nfs/dbraw/zinc/08/68/06/498086806.db2.gz PHMDDLRDGPDCSK-HTAPYJJXSA-N 2 1 363.505 3.412 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483604 505979620 /nfs/dbraw/zinc/97/96/20/505979620.db2.gz HJHSAIPQGXFNER-MTNREXPMSA-N 2 1 365.521 3.339 20 0 FGADMP CC(C)C[C@@H](CNC(=O)c1csc(C[NH3+])n1)[NH2+][C@H](C)c1ccccc1 ZINC000578622992 505983525 /nfs/dbraw/zinc/98/35/25/505983525.db2.gz HMOQATBHKWBXOB-ZBFHGGJFSA-N 2 1 360.527 3.097 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578627866 505984596 /nfs/dbraw/zinc/98/45/96/505984596.db2.gz HJNRCUDGLQNGBX-KSZLIROESA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578627866 505984598 /nfs/dbraw/zinc/98/45/98/505984598.db2.gz HJNRCUDGLQNGBX-KSZLIROESA-N 2 1 367.896 3.261 20 0 FGADMP CC[N@@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289547292 498188394 /nfs/dbraw/zinc/18/83/94/498188394.db2.gz XJHVRZLIUUBLBQ-UHFFFAOYSA-N 2 1 374.554 3.063 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486900 505999404 /nfs/dbraw/zinc/99/94/04/505999404.db2.gz INBXPRHVAXFWSU-YJBOKZPZSA-N 2 1 371.447 3.334 20 0 FGADMP C(CC[NH+]1CCCO[C@H]2CCC[C@H]21)CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359870132 498226410 /nfs/dbraw/zinc/22/64/10/498226410.db2.gz LMWCVYULDMBYGC-UJOPUZHASA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359870132 498226414 /nfs/dbraw/zinc/22/64/14/498226414.db2.gz LMWCVYULDMBYGC-UJOPUZHASA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359870132 498226418 /nfs/dbraw/zinc/22/64/18/498226418.db2.gz LMWCVYULDMBYGC-UJOPUZHASA-N 2 1 350.547 3.444 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ncc(Cl)n2C)cc1 ZINC000281828509 498284917 /nfs/dbraw/zinc/28/49/17/498284917.db2.gz XOFGBSJJOFSRLS-UHFFFAOYSA-N 2 1 350.894 3.084 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3[C@H](C[NH+](C)[C@@H]3c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000360790250 498309110 /nfs/dbraw/zinc/30/91/10/498309110.db2.gz CSKYTYHDWZGURB-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3[C@H](C[NH+](C)[C@@H]3c3ccccc3)C2)c(-c2ccncc2)n1 ZINC000360790250 498309117 /nfs/dbraw/zinc/30/91/17/498309117.db2.gz CSKYTYHDWZGURB-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)C[N@H+](C)[C@@H]3c2ccccc2)c(-c2ccncc2)n1 ZINC000360790250 498309124 /nfs/dbraw/zinc/30/91/24/498309124.db2.gz CSKYTYHDWZGURB-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)C[N@@H+](C)[C@@H]3c2ccccc2)c(-c2ccncc2)n1 ZINC000360790250 498309130 /nfs/dbraw/zinc/30/91/30/498309130.db2.gz CSKYTYHDWZGURB-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cc1nccn1CCCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365194975 498345441 /nfs/dbraw/zinc/34/54/41/498345441.db2.gz DQMJGUNCQRQDAM-WIYYLYMNSA-N 2 1 369.513 3.361 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365194975 498345444 /nfs/dbraw/zinc/34/54/44/498345444.db2.gz DQMJGUNCQRQDAM-WIYYLYMNSA-N 2 1 369.513 3.361 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000365194975 498345448 /nfs/dbraw/zinc/34/54/48/498345448.db2.gz DQMJGUNCQRQDAM-WIYYLYMNSA-N 2 1 369.513 3.361 20 0 FGADMP C[NH+]1CCN(C(=O)C2CC[NH+](CC3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000572647074 506019973 /nfs/dbraw/zinc/01/99/73/506019973.db2.gz YXAMTHITWDAFFI-UHFFFAOYSA-N 2 1 363.590 3.325 20 0 FGADMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233699 498365585 /nfs/dbraw/zinc/36/55/85/498365585.db2.gz KHSFPTCREVTUPC-WOJBJXKFSA-N 2 1 356.510 3.459 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233699 498365590 /nfs/dbraw/zinc/36/55/90/498365590.db2.gz KHSFPTCREVTUPC-WOJBJXKFSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233699 498365594 /nfs/dbraw/zinc/36/55/94/498365594.db2.gz KHSFPTCREVTUPC-WOJBJXKFSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233699 498365600 /nfs/dbraw/zinc/36/56/00/498365600.db2.gz KHSFPTCREVTUPC-WOJBJXKFSA-N 2 1 356.510 3.459 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000289984595 498381348 /nfs/dbraw/zinc/38/13/48/498381348.db2.gz YATSNUPKWJSSTL-CEMLEFRQSA-N 2 1 369.553 3.134 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)COc1ncccc1C(F)(F)F ZINC000575878568 506024735 /nfs/dbraw/zinc/02/47/35/506024735.db2.gz TVTKWMFACVJAIU-UHFFFAOYSA-N 2 1 356.392 3.214 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCOC3CCOCC3)CC23CC3)cc1 ZINC000581607127 506026997 /nfs/dbraw/zinc/02/69/97/506026997.db2.gz JDAONRVCMRZNNZ-HXUWFJFHSA-N 2 1 358.526 3.359 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCOC3CCOCC3)CC23CC3)cc1 ZINC000581607127 506027002 /nfs/dbraw/zinc/02/70/02/506027002.db2.gz JDAONRVCMRZNNZ-HXUWFJFHSA-N 2 1 358.526 3.359 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000286477716 498410345 /nfs/dbraw/zinc/41/03/45/498410345.db2.gz VAWIBXWBDKBEHQ-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000569846276 506029868 /nfs/dbraw/zinc/02/98/68/506029868.db2.gz HQDQXWGNNBYNQP-RTBURBONSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1=O ZINC000297363970 498421241 /nfs/dbraw/zinc/42/12/41/498421241.db2.gz HAOTYFHRMVGJLG-YWZLYKJASA-N 2 1 359.489 3.094 20 0 FGADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000293608179 498426756 /nfs/dbraw/zinc/42/67/56/498426756.db2.gz PKDAZELFGWJBSM-UHFFFAOYSA-N 2 1 358.457 3.081 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000362104222 498463836 /nfs/dbraw/zinc/46/38/36/498463836.db2.gz XBMNOOHCMUFARS-SFHVURJKSA-N 2 1 368.529 3.169 20 0 FGADMP Cn1ccnc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000297566441 498495510 /nfs/dbraw/zinc/49/55/10/498495510.db2.gz HNBDEKJQCVIZFS-HXUWFJFHSA-N 2 1 365.456 3.302 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293824748 498501920 /nfs/dbraw/zinc/50/19/20/498501920.db2.gz AHMCLVAEBHNSDO-OAQYLSRUSA-N 2 1 367.537 3.128 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890946 506045687 /nfs/dbraw/zinc/04/56/87/506045687.db2.gz BWDKPFXJJFTMAO-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890946 506045689 /nfs/dbraw/zinc/04/56/89/506045689.db2.gz BWDKPFXJJFTMAO-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3sc(Br)cc32)CC1 ZINC000293889186 498523435 /nfs/dbraw/zinc/52/34/35/498523435.db2.gz VTUURLUYZUFXRY-AWEZNQCLSA-N 2 1 372.376 3.115 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569924611 506049537 /nfs/dbraw/zinc/04/95/37/506049537.db2.gz AKUYBYIYONWYJU-DKSSEZFCSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569924611 506049540 /nfs/dbraw/zinc/04/95/40/506049540.db2.gz AKUYBYIYONWYJU-DKSSEZFCSA-N 2 1 367.896 3.261 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000581715383 506051776 /nfs/dbraw/zinc/05/17/76/506051776.db2.gz YDXOWFBUWRZGOV-PKOBYXMFSA-N 2 1 372.557 3.330 20 0 FGADMP CN(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(F)(F)F ZINC000581725683 506054337 /nfs/dbraw/zinc/05/43/37/506054337.db2.gz BYBKWAUDKGATHM-KRWDZBQOSA-N 2 1 355.448 3.267 20 0 FGADMP CN(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(F)(F)F ZINC000581725683 506054338 /nfs/dbraw/zinc/05/43/38/506054338.db2.gz BYBKWAUDKGATHM-KRWDZBQOSA-N 2 1 355.448 3.267 20 0 FGADMP COc1cc(Br)c(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000290540097 498590177 /nfs/dbraw/zinc/59/01/77/498590177.db2.gz REUHYBSYBZVDBR-DOMZBBRYSA-N 2 1 371.319 3.238 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000365672665 498590634 /nfs/dbraw/zinc/59/06/34/498590634.db2.gz ICVBJECAVHSVKL-SJLPKXTDSA-N 2 1 368.525 3.275 20 0 FGADMP Cc1cc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000290556049 498595181 /nfs/dbraw/zinc/59/51/81/498595181.db2.gz MWUZRPYPVFTOLQ-LJQANCHMSA-N 2 1 356.514 3.013 20 0 FGADMP Cc1cc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000290556049 498595189 /nfs/dbraw/zinc/59/51/89/498595189.db2.gz MWUZRPYPVFTOLQ-LJQANCHMSA-N 2 1 356.514 3.013 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000365709726 498608522 /nfs/dbraw/zinc/60/85/22/498608522.db2.gz FLLRHUXDRSZUIK-CAOKTKFFSA-N 2 1 364.578 3.154 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)n1 ZINC000298047146 498648745 /nfs/dbraw/zinc/64/87/45/498648745.db2.gz IBJDLWXYEVFTCY-UHFFFAOYSA-N 2 1 371.506 3.313 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000303277909 498661229 /nfs/dbraw/zinc/66/12/29/498661229.db2.gz SXFIKRNKGYQEOF-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000298106615 498666367 /nfs/dbraw/zinc/66/63/67/498666367.db2.gz NVTYSBOFVPKEGX-AWEZNQCLSA-N 2 1 362.543 3.172 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000298106615 498666373 /nfs/dbraw/zinc/66/63/73/498666373.db2.gz NVTYSBOFVPKEGX-AWEZNQCLSA-N 2 1 362.543 3.172 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CSC(C)(C)C ZINC000365911116 498696491 /nfs/dbraw/zinc/69/64/91/498696491.db2.gz DRALHZKGIOEVBS-UHFFFAOYSA-N 2 1 369.619 3.173 20 0 FGADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303602987 498697000 /nfs/dbraw/zinc/69/70/00/498697000.db2.gz ARJADULCPNSWAP-NRFANRHFSA-N 2 1 360.461 3.500 20 0 FGADMP CN(Cc1ccc(-n2ccnc2)cc1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000303602987 498697006 /nfs/dbraw/zinc/69/70/06/498697006.db2.gz ARJADULCPNSWAP-NRFANRHFSA-N 2 1 360.461 3.500 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366001226 498725858 /nfs/dbraw/zinc/72/58/58/498725858.db2.gz NUFVMKNMCIRPCO-KXBFYZLASA-N 2 1 357.523 3.233 20 0 FGADMP CCOc1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC000298348350 498741188 /nfs/dbraw/zinc/74/11/88/498741188.db2.gz JPVWDDLBRIRHTI-UHFFFAOYSA-N 2 1 358.526 3.350 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCCCO4)C2)cc1 ZINC000311783492 498754440 /nfs/dbraw/zinc/75/44/40/498754440.db2.gz LASXDGCOGBKBTA-IBGZPJMESA-N 2 1 352.478 3.460 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3OCCCO4)C2)cc1 ZINC000311783492 498754443 /nfs/dbraw/zinc/75/44/43/498754443.db2.gz LASXDGCOGBKBTA-IBGZPJMESA-N 2 1 352.478 3.460 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000313115931 498765895 /nfs/dbraw/zinc/76/58/95/498765895.db2.gz ZSEVLTPXKUEDOQ-YPAWHYETSA-N 2 1 364.489 3.473 20 0 FGADMP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291113140 498801067 /nfs/dbraw/zinc/80/10/67/498801067.db2.gz KOIBLAPAZFMQTC-HWHRFOGPSA-N 2 1 371.569 3.007 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827796 498806549 /nfs/dbraw/zinc/80/65/49/498806549.db2.gz ZBMZONWECAFUEN-MSOLQXFVSA-N 2 1 358.530 3.094 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827796 498806556 /nfs/dbraw/zinc/80/65/56/498806556.db2.gz ZBMZONWECAFUEN-MSOLQXFVSA-N 2 1 358.530 3.094 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827682 498806901 /nfs/dbraw/zinc/80/69/01/498806901.db2.gz MDOPCBOTQSMJNF-RLLQIKCJSA-N 2 1 370.541 3.236 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827682 498806904 /nfs/dbraw/zinc/80/69/04/498806904.db2.gz MDOPCBOTQSMJNF-RLLQIKCJSA-N 2 1 370.541 3.236 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827682 498806909 /nfs/dbraw/zinc/80/69/09/498806909.db2.gz MDOPCBOTQSMJNF-RLLQIKCJSA-N 2 1 370.541 3.236 20 0 FGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332831849 498808285 /nfs/dbraw/zinc/80/82/85/498808285.db2.gz UGOXLXSWCMWTBY-WRWLIDTKSA-N 2 1 370.541 3.092 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937850 506094727 /nfs/dbraw/zinc/09/47/27/506094727.db2.gz YKACNDAUIOKBAF-BHDDXSALSA-N 2 1 371.569 3.165 20 0 FGADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C)nc21 ZINC000366209437 498824574 /nfs/dbraw/zinc/82/45/74/498824574.db2.gz KDAILCGKBBPRQE-OKZBNKHCSA-N 2 1 357.498 3.158 20 0 FGADMP CCOc1ccccc1CN(CCCn1ccnc1)Cc1ccnc(N)c1 ZINC000298653894 498840804 /nfs/dbraw/zinc/84/08/04/498840804.db2.gz QNGNMTNASUKQDT-UHFFFAOYSA-N 2 1 365.481 3.352 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000576201543 506100264 /nfs/dbraw/zinc/10/02/64/506100264.db2.gz BPYNOUBMXQXBRM-CTNGQTDRSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283394500 498873144 /nfs/dbraw/zinc/87/31/44/498873144.db2.gz PVULMHRBIVAHGV-PSWRPDDJSA-N 2 1 372.553 3.054 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000295036697 498889038 /nfs/dbraw/zinc/88/90/38/498889038.db2.gz PCFMZLVQKKCNOS-XLNTUCKNSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000295036697 498889043 /nfs/dbraw/zinc/88/90/43/498889043.db2.gz PCFMZLVQKKCNOS-XLNTUCKNSA-N 2 1 359.489 3.094 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H](O)CC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000295203038 498943007 /nfs/dbraw/zinc/94/30/07/498943007.db2.gz KKMUDWPCRFVXHZ-FQEVSTJZSA-N 2 1 359.558 3.200 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000295233548 498951349 /nfs/dbraw/zinc/95/13/49/498951349.db2.gz DDIFBECQFPVCGF-SJLPKXTDSA-N 2 1 357.498 3.104 20 0 FGADMP Cc1csc(=O)n1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366582120 498988992 /nfs/dbraw/zinc/98/89/92/498988992.db2.gz NUSZFIQQUXKACA-UHFFFAOYSA-N 2 1 371.550 3.206 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362795 498992131 /nfs/dbraw/zinc/99/21/31/498992131.db2.gz XUEMVKZANZUOAB-VQTJNVASSA-N 2 1 374.525 3.096 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)[C@H](C)c1ccccc1 ZINC000363788813 498993611 /nfs/dbraw/zinc/99/36/11/498993611.db2.gz YCZJUKVZTNXMFM-ROUUACIJSA-N 2 1 369.557 3.152 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000363811391 499005423 /nfs/dbraw/zinc/00/54/23/499005423.db2.gz CQLODYIKNFSURL-NRFANRHFSA-N 2 1 361.505 3.331 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@H]3CC34CCCCC4)CC2)CC1 ZINC000363840409 499021039 /nfs/dbraw/zinc/02/10/39/499021039.db2.gz CGIAMYWGQVQUEP-HXUWFJFHSA-N 2 1 361.574 3.269 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877670 499035523 /nfs/dbraw/zinc/03/55/23/499035523.db2.gz DUMFWMDSNIMMMH-RBUKOAKNSA-N 2 1 371.573 3.448 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877670 499035531 /nfs/dbraw/zinc/03/55/31/499035531.db2.gz DUMFWMDSNIMMMH-RBUKOAKNSA-N 2 1 371.573 3.448 20 0 FGADMP Cc1cccc(N2CCC([NH2+]C3CCN(CCC(F)(F)F)CC3)CC2)[nH+]1 ZINC000366716621 499046531 /nfs/dbraw/zinc/04/65/31/499046531.db2.gz BJMNCSFXJCMPIK-UHFFFAOYSA-N 2 1 370.463 3.365 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C ZINC000299454444 499064003 /nfs/dbraw/zinc/06/40/03/499064003.db2.gz ZLBNLFUSMXVHOY-KBPBESRZSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@H+]1C ZINC000299454444 499064005 /nfs/dbraw/zinc/06/40/05/499064005.db2.gz ZLBNLFUSMXVHOY-KBPBESRZSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454444 499064007 /nfs/dbraw/zinc/06/40/07/499064007.db2.gz ZLBNLFUSMXVHOY-KBPBESRZSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454444 499064011 /nfs/dbraw/zinc/06/40/11/499064011.db2.gz ZLBNLFUSMXVHOY-KBPBESRZSA-N 2 1 368.319 3.192 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC000366795886 499076542 /nfs/dbraw/zinc/07/65/42/499076542.db2.gz PGRNUUFIVNUIER-PMACEKPBSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC000366795886 499076546 /nfs/dbraw/zinc/07/65/46/499076546.db2.gz PGRNUUFIVNUIER-PMACEKPBSA-N 2 1 355.457 3.063 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1nccc2cc(F)ccc21 ZINC000570276221 506130812 /nfs/dbraw/zinc/13/08/12/506130812.db2.gz RVLGUVBYNXSWJL-FQEVSTJZSA-N 2 1 365.452 3.365 20 0 FGADMP Cc1ccc(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000367027595 499136024 /nfs/dbraw/zinc/13/60/24/499136024.db2.gz GGJOUXVTUNTGMU-RBBKRZOGSA-N 2 1 359.558 3.030 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852762 499139430 /nfs/dbraw/zinc/13/94/30/499139430.db2.gz OMYZBEQLDZHEEJ-SCWSEQNSSA-N 2 1 372.534 3.434 20 0 FGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537280 499142214 /nfs/dbraw/zinc/14/22/14/499142214.db2.gz BMUIGPMCDVQTHT-FFGOWVMKSA-N 2 1 360.546 3.273 20 0 FGADMP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)c1 ZINC000369892260 499146819 /nfs/dbraw/zinc/14/68/19/499146819.db2.gz LPEKFJOXIFFIIZ-NQIIRXRSSA-N 2 1 372.557 3.084 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c2C)cc1 ZINC000573167737 506133978 /nfs/dbraw/zinc/13/39/78/506133978.db2.gz VWJOCMMUZAMPLC-HXUWFJFHSA-N 2 1 370.541 3.377 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c2C)cc1 ZINC000573167737 506133980 /nfs/dbraw/zinc/13/39/80/506133980.db2.gz VWJOCMMUZAMPLC-HXUWFJFHSA-N 2 1 370.541 3.377 20 0 FGADMP COc1ccc(O)cc1[C@@H](C)[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367357615 499187689 /nfs/dbraw/zinc/18/76/89/499187689.db2.gz XPYAXYYCUJAUHN-OAHLLOKOSA-N 2 1 370.497 3.469 20 0 FGADMP COc1ccc(O)cc1[C@@H](C)[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367357615 499187690 /nfs/dbraw/zinc/18/76/90/499187690.db2.gz XPYAXYYCUJAUHN-OAHLLOKOSA-N 2 1 370.497 3.469 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000370632437 499237590 /nfs/dbraw/zinc/23/75/90/499237590.db2.gz ASOWUEZBYLUNNQ-IXDOHACOSA-N 2 1 365.587 3.462 20 0 FGADMP c1ccc(-c2noc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)n2)nc1 ZINC000370950727 499273833 /nfs/dbraw/zinc/27/38/33/499273833.db2.gz PPNJWQGGQVRCLF-UHFFFAOYSA-N 2 1 355.486 3.220 20 0 FGADMP C[C@@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000371092829 499287780 /nfs/dbraw/zinc/28/77/80/499287780.db2.gz HDCDTAQYOJGUEG-MRXNPFEDSA-N 2 1 363.571 3.164 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000582124924 506140028 /nfs/dbraw/zinc/14/00/28/506140028.db2.gz YXOYTWZEAAMAFF-SFHVURJKSA-N 2 1 355.457 3.396 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000368473537 499299435 /nfs/dbraw/zinc/29/94/35/499299435.db2.gz ICRFCYVCSQKGFN-ZWKOTPCHSA-N 2 1 357.498 3.114 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300392 499307261 /nfs/dbraw/zinc/30/72/61/499307261.db2.gz PCEWVBVMVDBYOT-NJAFHUGGSA-N 2 1 372.431 3.311 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300392 499307262 /nfs/dbraw/zinc/30/72/62/499307262.db2.gz PCEWVBVMVDBYOT-NJAFHUGGSA-N 2 1 372.431 3.311 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2cc(C)ccn2)CC1 ZINC000371325405 499310087 /nfs/dbraw/zinc/31/00/87/499310087.db2.gz FCOVILSDVYUMJZ-UHFFFAOYSA-N 2 1 355.486 3.026 20 0 FGADMP COc1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371337993 499312546 /nfs/dbraw/zinc/31/25/46/499312546.db2.gz XTHCSHHOYXASAY-FQEVSTJZSA-N 2 1 367.537 3.449 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466613 499330787 /nfs/dbraw/zinc/33/07/87/499330787.db2.gz QNLOAAASYMUWET-VAMGGRTRSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466613 499330789 /nfs/dbraw/zinc/33/07/89/499330789.db2.gz QNLOAAASYMUWET-VAMGGRTRSA-N 2 1 354.498 3.069 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nnc(C3CC3)n1C1CC1)CC2)C1CC1 ZINC000371694665 499355950 /nfs/dbraw/zinc/35/59/50/499355950.db2.gz UOFQSAOWGAASAN-MRXNPFEDSA-N 2 1 355.530 3.187 20 0 FGADMP CCOC(CCC[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)OCC ZINC000371708575 499357857 /nfs/dbraw/zinc/35/78/57/499357857.db2.gz GZPKQZHBZNMFBO-UHFFFAOYSA-N 2 1 355.548 3.179 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369047786 499360236 /nfs/dbraw/zinc/36/02/36/499360236.db2.gz LMXVPFQTIIQNEV-JOCHJYFZSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccoc3C3CC3)CC2)CC1 ZINC000369046700 499360392 /nfs/dbraw/zinc/36/03/92/499360392.db2.gz GOXFRWLNPHBJFG-UHFFFAOYSA-N 2 1 359.514 3.083 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985875 499387235 /nfs/dbraw/zinc/38/72/35/499387235.db2.gz WNRCFBJEIIKGFZ-UEVCKROQSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985875 499387236 /nfs/dbraw/zinc/38/72/36/499387236.db2.gz WNRCFBJEIIKGFZ-UEVCKROQSA-N 2 1 371.569 3.261 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+][C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000372056748 499394164 /nfs/dbraw/zinc/39/41/64/499394164.db2.gz VSIWIPSFPJLDQK-IBGZPJMESA-N 3 1 351.579 3.118 20 0 FGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cs1 ZINC000372066045 499395214 /nfs/dbraw/zinc/39/52/14/499395214.db2.gz KVIYBZFNKJZNOW-KBAYOESNSA-N 2 1 351.560 3.288 20 0 FGADMP C(C[NH+]1CCCC2(CCOCC2)C1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000369368624 499396150 /nfs/dbraw/zinc/39/61/50/499396150.db2.gz HNCRTQBDICNSCQ-UHFFFAOYSA-N 2 1 350.547 3.162 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399204 499399660 /nfs/dbraw/zinc/39/96/60/499399660.db2.gz SFHCUUCGQQLMIX-HXUWFJFHSA-N 2 1 368.525 3.250 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399204 499399661 /nfs/dbraw/zinc/39/96/61/499399661.db2.gz SFHCUUCGQQLMIX-HXUWFJFHSA-N 2 1 368.525 3.250 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000369680669 499435538 /nfs/dbraw/zinc/43/55/38/499435538.db2.gz WEZSCSOIDQCBPW-OAHLLOKOSA-N 2 1 355.482 3.241 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000369744589 499440043 /nfs/dbraw/zinc/44/00/43/499440043.db2.gz GYJNBMFZVMPIIP-OAQYLSRUSA-N 2 1 356.514 3.153 20 0 FGADMP C[N@H+]1CC[C@@H](CNCc2cnc(C(F)(F)F)s2)[C@@H]1c1cccnc1 ZINC000373060324 499449520 /nfs/dbraw/zinc/44/95/20/499449520.db2.gz STCMBSVBQWFVEB-JSGCOSHPSA-N 2 1 356.417 3.340 20 0 FGADMP COc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000378297014 499499120 /nfs/dbraw/zinc/49/91/20/499499120.db2.gz SICPMNRGLRTEQI-SFHVURJKSA-N 2 1 363.571 3.017 20 0 FGADMP Cc1cnccc1NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378353830 499505929 /nfs/dbraw/zinc/50/59/29/499505929.db2.gz GZQOFCCADFPMME-UHFFFAOYSA-N 2 1 364.493 3.332 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375356713 499510376 /nfs/dbraw/zinc/51/03/76/499510376.db2.gz OIVLFXPCFBCGHB-IFMALSPDSA-N 2 1 359.558 3.194 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cccnc1Cl ZINC000375381837 499512295 /nfs/dbraw/zinc/51/22/95/499512295.db2.gz UGEHIYNASLVPPE-NVXWUHKLSA-N 2 1 372.900 3.174 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231145 506148994 /nfs/dbraw/zinc/14/89/94/506148994.db2.gz UOOWDJOSPRSPMO-AZUAARDMSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231145 506148997 /nfs/dbraw/zinc/14/89/97/506148997.db2.gz UOOWDJOSPRSPMO-AZUAARDMSA-N 2 1 366.594 3.259 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)n(C)c1C ZINC000379615818 499542173 /nfs/dbraw/zinc/54/21/73/499542173.db2.gz BFHDMMMYWSCQIQ-INIZCTEOSA-N 2 1 357.498 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)n(C)c1C ZINC000379615818 499542174 /nfs/dbraw/zinc/54/21/74/499542174.db2.gz BFHDMMMYWSCQIQ-INIZCTEOSA-N 2 1 357.498 3.120 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660706 499542560 /nfs/dbraw/zinc/54/25/60/499542560.db2.gz CTACDIMKQYTZKU-NQSCKRDGSA-N 2 1 363.505 3.043 20 0 FGADMP COc1cc(OC)c(OC)cc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000380101699 499543065 /nfs/dbraw/zinc/54/30/65/499543065.db2.gz NEGRRBADIIKKBR-VQIMIIECSA-N 2 1 370.493 3.465 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176188 506151367 /nfs/dbraw/zinc/15/13/67/506151367.db2.gz HCINFNRCZSOSOS-MSOLQXFVSA-N 2 1 359.514 3.009 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000382724671 499546230 /nfs/dbraw/zinc/54/62/30/499546230.db2.gz RCNGBJKGQMIDAK-SFTDATJTSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383805262 499547139 /nfs/dbraw/zinc/54/71/39/499547139.db2.gz ZSDOBLPGCQDBHJ-NRSPTQNISA-N 2 1 363.505 3.468 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000389845320 499553114 /nfs/dbraw/zinc/55/31/14/499553114.db2.gz NEKWVQHRFYZBFZ-QMMLZNLJSA-N 2 1 351.494 3.103 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000390886806 499556298 /nfs/dbraw/zinc/55/62/98/499556298.db2.gz WUUHVSYKVIZWLR-TZIWHRDSSA-N 2 1 372.509 3.047 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1ccco1 ZINC000390886806 499556299 /nfs/dbraw/zinc/55/62/99/499556299.db2.gz WUUHVSYKVIZWLR-TZIWHRDSSA-N 2 1 372.509 3.047 20 0 FGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(I)cc1 ZINC000392298561 499558467 /nfs/dbraw/zinc/55/84/67/499558467.db2.gz XRSDNIREPPYBCB-GFCCVEGCSA-N 2 1 356.251 3.204 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000396337299 499562777 /nfs/dbraw/zinc/56/27/77/499562777.db2.gz VTAKCSHPTFMTEK-AOCRQIFASA-N 2 1 356.432 3.334 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959360 499565821 /nfs/dbraw/zinc/56/58/21/499565821.db2.gz DCWQVHBKICWDCE-KSEOMHKRSA-N 2 1 368.521 3.235 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000375907129 499567507 /nfs/dbraw/zinc/56/75/07/499567507.db2.gz RJRFMSJHHPYAHF-LJQANCHMSA-N 2 1 365.949 3.209 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000375907710 499567550 /nfs/dbraw/zinc/56/75/50/499567550.db2.gz SVBTUQKYRXLNJG-LJQANCHMSA-N 2 1 372.488 3.081 20 0 FGADMP Cc1nccn1CCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446119 499596637 /nfs/dbraw/zinc/59/66/37/499596637.db2.gz DCHPIHQZOAFLEW-FGZHOGPDSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446119 499596638 /nfs/dbraw/zinc/59/66/38/499596638.db2.gz DCHPIHQZOAFLEW-FGZHOGPDSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446119 499596639 /nfs/dbraw/zinc/59/66/39/499596639.db2.gz DCHPIHQZOAFLEW-FGZHOGPDSA-N 2 1 352.526 3.426 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000576420096 506153589 /nfs/dbraw/zinc/15/35/89/506153589.db2.gz IDONTSXDWLXJHE-OAQYLSRUSA-N 2 1 372.557 3.018 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000410349444 499656958 /nfs/dbraw/zinc/65/69/58/499656958.db2.gz PVVQECGDUZCFHX-KDURUIRLSA-N 2 1 352.563 3.405 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000377393491 499686403 /nfs/dbraw/zinc/68/64/03/499686403.db2.gz SFDGVXKOCUGJSV-KKSFZXQISA-N 2 1 361.505 3.473 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000377393491 499686404 /nfs/dbraw/zinc/68/64/04/499686404.db2.gz SFDGVXKOCUGJSV-KKSFZXQISA-N 2 1 361.505 3.473 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N2CCC[N@H+](CC(C)(C)O)CC2)cc1 ZINC000377671792 499718102 /nfs/dbraw/zinc/71/81/02/499718102.db2.gz KOIVBKIHTRZEML-KRWDZBQOSA-N 2 1 356.514 3.020 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N2CCC[N@@H+](CC(C)(C)O)CC2)cc1 ZINC000377671792 499718103 /nfs/dbraw/zinc/71/81/03/499718103.db2.gz KOIVBKIHTRZEML-KRWDZBQOSA-N 2 1 356.514 3.020 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680460 499718892 /nfs/dbraw/zinc/71/88/92/499718892.db2.gz QCXGNGXFBYIGCV-IERDGZPVSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680460 499718893 /nfs/dbraw/zinc/71/88/93/499718893.db2.gz QCXGNGXFBYIGCV-IERDGZPVSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680460 499718894 /nfs/dbraw/zinc/71/88/94/499718894.db2.gz QCXGNGXFBYIGCV-IERDGZPVSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000377694661 499721206 /nfs/dbraw/zinc/72/12/06/499721206.db2.gz HFVXXBJDBCRGMJ-UHFFFAOYSA-N 2 1 351.454 3.474 20 0 FGADMP C[N@H+](CCN1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1)Cc1ccccc1 ZINC000411282497 499721381 /nfs/dbraw/zinc/72/13/81/499721381.db2.gz UZPZGOMGMISNTB-XZOQPEGZSA-N 2 1 367.512 3.431 20 0 FGADMP C[N@@H+](CCN1CC[NH+]([C@@H]2C[C@H]2c2cccc(F)c2)CC1)Cc1ccccc1 ZINC000411282497 499721382 /nfs/dbraw/zinc/72/13/82/499721382.db2.gz UZPZGOMGMISNTB-XZOQPEGZSA-N 2 1 367.512 3.431 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1 ZINC000377704078 499722537 /nfs/dbraw/zinc/72/25/37/499722537.db2.gz VTMQCQWGUQEZIA-ZIPUMODLSA-N 2 1 369.509 3.494 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)cc1 ZINC000377704078 499722539 /nfs/dbraw/zinc/72/25/39/499722539.db2.gz VTMQCQWGUQEZIA-ZIPUMODLSA-N 2 1 369.509 3.494 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000411315149 499725113 /nfs/dbraw/zinc/72/51/13/499725113.db2.gz HDTRVCCAJIVQNM-WIYBCGNWSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315149 499725114 /nfs/dbraw/zinc/72/51/14/499725114.db2.gz HDTRVCCAJIVQNM-WIYBCGNWSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315149 499725115 /nfs/dbraw/zinc/72/51/15/499725115.db2.gz HDTRVCCAJIVQNM-WIYBCGNWSA-N 2 1 364.574 3.405 20 0 FGADMP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cn2)cn1 ZINC000377756890 499729316 /nfs/dbraw/zinc/72/93/16/499729316.db2.gz BAJRIZVAYIBOEI-FCHUYYIVSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cn2)cn1 ZINC000377756890 499729317 /nfs/dbraw/zinc/72/93/17/499729317.db2.gz BAJRIZVAYIBOEI-FCHUYYIVSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cn2)cn1 ZINC000377756890 499729318 /nfs/dbraw/zinc/72/93/18/499729318.db2.gz BAJRIZVAYIBOEI-FCHUYYIVSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cn2)cn1 ZINC000377756890 499729319 /nfs/dbraw/zinc/72/93/19/499729319.db2.gz BAJRIZVAYIBOEI-FCHUYYIVSA-N 2 1 373.504 3.221 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399706 499734571 /nfs/dbraw/zinc/73/45/71/499734571.db2.gz LZVNZLXXDJDPCY-VJBWXMMDSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399706 499734572 /nfs/dbraw/zinc/73/45/72/499734572.db2.gz LZVNZLXXDJDPCY-VJBWXMMDSA-N 2 1 371.569 3.356 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1cc3ccccc3o1)C2 ZINC000377822833 499738866 /nfs/dbraw/zinc/73/88/66/499738866.db2.gz CSPKHCVMPSQMMG-UXLLHSPISA-N 2 1 366.465 3.108 20 0 FGADMP O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544408 499753098 /nfs/dbraw/zinc/75/30/98/499753098.db2.gz NNCCRZFXXYULLE-SFTDATJTSA-N 2 1 356.510 3.243 20 0 FGADMP O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544408 499753100 /nfs/dbraw/zinc/75/31/00/499753100.db2.gz NNCCRZFXXYULLE-SFTDATJTSA-N 2 1 356.510 3.243 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2cccc(Cl)c2F)CC1 ZINC000411546512 499753533 /nfs/dbraw/zinc/75/35/33/499753533.db2.gz SZJUSHJFNDCISG-UHFFFAOYSA-N 2 1 369.912 3.293 20 0 FGADMP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377992429 499753971 /nfs/dbraw/zinc/75/39/71/499753971.db2.gz HIKJMJYWOYIQRR-IBGZPJMESA-N 2 1 368.481 3.264 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411638270 499771920 /nfs/dbraw/zinc/77/19/20/499771920.db2.gz ZTMQFOLIFMJDJH-RTBURBONSA-N 2 1 360.546 3.339 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000411638270 499771922 /nfs/dbraw/zinc/77/19/22/499771922.db2.gz ZTMQFOLIFMJDJH-RTBURBONSA-N 2 1 360.546 3.339 20 0 FGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258373 499771978 /nfs/dbraw/zinc/77/19/78/499771978.db2.gz GAEGHCSCWBLRKT-DXBBTUNJSA-N 2 1 360.542 3.318 20 0 FGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258373 499771981 /nfs/dbraw/zinc/77/19/81/499771981.db2.gz GAEGHCSCWBLRKT-DXBBTUNJSA-N 2 1 360.542 3.318 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(F)(F)F)c2ccccc2C)CC1 ZINC000411649241 499773090 /nfs/dbraw/zinc/77/30/90/499773090.db2.gz UKDZPCBFJZZTGF-QGZVFWFLSA-N 2 1 371.447 3.179 20 0 FGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411660015 499774113 /nfs/dbraw/zinc/77/41/13/499774113.db2.gz IRGXQIKXSXVUAE-JOCHJYFZSA-N 2 1 358.526 3.442 20 0 FGADMP Cc1cc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1C ZINC000414361521 499780849 /nfs/dbraw/zinc/78/08/49/499780849.db2.gz CPFJCFRGPICAPP-HDICACEKSA-N 2 1 370.541 3.027 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000412014822 499813184 /nfs/dbraw/zinc/81/31/84/499813184.db2.gz RBMSLBPWJTTYDF-FCHUYYIVSA-N 2 1 369.553 3.388 20 0 FGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677133 499819846 /nfs/dbraw/zinc/81/98/46/499819846.db2.gz ONIVOMAZJKUWSG-CHWSQXEVSA-N 2 1 358.313 3.184 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc3)nc12 ZINC000414800644 499832628 /nfs/dbraw/zinc/83/26/28/499832628.db2.gz SJSQEHIJCUNBHT-FQEVSTJZSA-N 2 1 352.482 3.295 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898486 499843123 /nfs/dbraw/zinc/84/31/23/499843123.db2.gz AMJVDYJRZUIXKQ-MRXNPFEDSA-N 2 1 371.319 3.096 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000414914312 499844378 /nfs/dbraw/zinc/84/43/78/499844378.db2.gz XYBYJMJIIQYJCM-DOTOQJQBSA-N 2 1 355.486 3.256 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946704 499847498 /nfs/dbraw/zinc/84/74/98/499847498.db2.gz JWBIXJBBHKOGND-CZUORRHYSA-N 2 1 371.319 3.095 20 0 FGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1OC(F)F ZINC000414955639 499848641 /nfs/dbraw/zinc/84/86/41/499848641.db2.gz MISAXJZTUPSSFG-ZWNOBZJWSA-N 2 1 363.246 3.447 20 0 FGADMP Fc1cccc(Cl)c1C[NH+]1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415003166 499853865 /nfs/dbraw/zinc/85/38/65/499853865.db2.gz OKRKWAFLWXAGAA-MRXNPFEDSA-N 2 1 361.839 3.030 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)c2)cc1 ZINC000415050459 499858373 /nfs/dbraw/zinc/85/83/73/499858373.db2.gz CRTISSMZYKFCPR-OPAMFIHVSA-N 2 1 367.493 3.364 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073041 499861016 /nfs/dbraw/zinc/86/10/16/499861016.db2.gz YVVDOQVXHDBIHO-WBMJQRKESA-N 2 1 368.319 3.273 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000415111379 499865020 /nfs/dbraw/zinc/86/50/20/499865020.db2.gz QVBCNRDYINPVPA-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133203 499868296 /nfs/dbraw/zinc/86/82/96/499868296.db2.gz UYIAXEMEWMGMQZ-APWZRJJASA-N 2 1 355.482 3.086 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000415133723 499868494 /nfs/dbraw/zinc/86/84/94/499868494.db2.gz VLGDPZDFQSDSOP-ZFWWWQNUSA-N 2 1 359.333 3.229 20 0 FGADMP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C[NH3+] ZINC000415135937 499868826 /nfs/dbraw/zinc/86/88/26/499868826.db2.gz WVMCERLCONFIBC-HIFRSBDPSA-N 2 1 363.303 3.052 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@H]1C[NH3+] ZINC000415135937 499868827 /nfs/dbraw/zinc/86/88/27/499868827.db2.gz WVMCERLCONFIBC-HIFRSBDPSA-N 2 1 363.303 3.052 20 0 FGADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413091334 499912414 /nfs/dbraw/zinc/91/24/14/499912414.db2.gz CELUHUNFGSPBAC-KSZLIROESA-N 2 1 358.530 3.028 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415898082 499925581 /nfs/dbraw/zinc/92/55/81/499925581.db2.gz GXGWXRJCRPGCGG-VQIMIIECSA-N 2 1 352.482 3.363 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415922337 499928690 /nfs/dbraw/zinc/92/86/90/499928690.db2.gz SHPSVKBQFFUTDF-DYESRHJHSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000415938770 499931082 /nfs/dbraw/zinc/93/10/82/499931082.db2.gz BATSCUHMQRKZHP-QGZVFWFLSA-N 2 1 366.509 3.364 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000421092799 499950920 /nfs/dbraw/zinc/95/09/20/499950920.db2.gz ODLYNVIDDWUMNW-HXUWFJFHSA-N 2 1 358.530 3.273 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428895581 499955373 /nfs/dbraw/zinc/95/53/73/499955373.db2.gz PZHDIWCQLGIEFM-IBGZPJMESA-N 2 1 367.468 3.174 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428895581 499955374 /nfs/dbraw/zinc/95/53/74/499955374.db2.gz PZHDIWCQLGIEFM-IBGZPJMESA-N 2 1 367.468 3.174 20 0 FGADMP C[C@@H](NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000428957372 499968568 /nfs/dbraw/zinc/96/85/68/499968568.db2.gz QONOHFBVXYUOIE-ZWKOTPCHSA-N 2 1 362.562 3.173 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417238293 500014616 /nfs/dbraw/zinc/01/46/16/500014616.db2.gz LEALSKUWRQLMSC-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(O)CCOCC1 ZINC000417383501 500055329 /nfs/dbraw/zinc/05/53/29/500055329.db2.gz OUOOMYVOZBIWLU-WKCHPHFGSA-N 2 1 372.553 3.339 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)cc1 ZINC000429415231 500074234 /nfs/dbraw/zinc/07/42/34/500074234.db2.gz DNFOWEMLZXUXJU-BXXSPATCSA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)C2)cc1 ZINC000429415231 500074240 /nfs/dbraw/zinc/07/42/40/500074240.db2.gz DNFOWEMLZXUXJU-BXXSPATCSA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)cc1 ZINC000429415234 500074520 /nfs/dbraw/zinc/07/45/20/500074520.db2.gz DNFOWEMLZXUXJU-WBADGQHESA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)C2)cc1 ZINC000429415234 500074522 /nfs/dbraw/zinc/07/45/22/500074522.db2.gz DNFOWEMLZXUXJU-WBADGQHESA-N 2 1 372.553 3.462 20 0 FGADMP O=C(c1ccc2cncn2c1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000425326644 500074824 /nfs/dbraw/zinc/07/48/24/500074824.db2.gz YSJHEDFHQMBZGO-UHFFFAOYSA-N 2 1 359.433 3.306 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)c(F)cc3F)CC2)CC1 ZINC000573336200 506174311 /nfs/dbraw/zinc/17/43/11/506174311.db2.gz IXZXODBLRUYDRN-UHFFFAOYSA-N 2 1 369.431 3.239 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C(C)C)c(F)c1 ZINC000421825810 500160289 /nfs/dbraw/zinc/16/02/89/500160289.db2.gz PITCRJJQZKTUQK-FQEVSTJZSA-N 2 1 351.510 3.149 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416966946 500168847 /nfs/dbraw/zinc/16/88/47/500168847.db2.gz GAIJTGULSHUZNJ-WIYYLYMNSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000416969119 500169485 /nfs/dbraw/zinc/16/94/85/500169485.db2.gz KEZJBEGZYFNCRP-ZWKOTPCHSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971862 500170761 /nfs/dbraw/zinc/17/07/61/500170761.db2.gz QKTTVEYQPVLOFT-LQWHRVPQSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H](CCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416984451 500174985 /nfs/dbraw/zinc/17/49/85/500174985.db2.gz HFKQBCIMACPELC-KSZLIROESA-N 2 1 360.546 3.091 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416984994 500175487 /nfs/dbraw/zinc/17/54/87/500175487.db2.gz YHOQYYPWBRAHGN-RTBURBONSA-N 2 1 372.557 3.250 20 0 FGADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416989113 500176925 /nfs/dbraw/zinc/17/69/25/500176925.db2.gz AGDRJTXJNAAWEI-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417835740 500181000 /nfs/dbraw/zinc/18/10/00/500181000.db2.gz LDHMYGSWROQHAY-UIFIKXQLSA-N 2 1 372.557 3.246 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417837482 500181236 /nfs/dbraw/zinc/18/12/36/500181236.db2.gz MKWAUYMQIVSMSR-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])cc1 ZINC000417857278 500185368 /nfs/dbraw/zinc/18/53/68/500185368.db2.gz NUKWLFGBBFVQGJ-VCBZYWHSSA-N 2 1 355.486 3.011 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872090 500187953 /nfs/dbraw/zinc/18/79/53/500187953.db2.gz IIEAVLCFRRRVPY-UWJYYQICSA-N 2 1 368.525 3.117 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430116904 500195328 /nfs/dbraw/zinc/19/53/28/500195328.db2.gz DMWBGQYKLSZTSM-QFIPXVFZSA-N 2 1 371.569 3.467 20 0 FGADMP C[C@H]1C[C@H](NCc2ccc(F)cc2I)CC[N@H+]1C ZINC000417959121 500204588 /nfs/dbraw/zinc/20/45/88/500204588.db2.gz LKKHPAJBLSYUAY-GXFFZTMASA-N 2 1 362.230 3.003 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983787 500209340 /nfs/dbraw/zinc/20/93/40/500209340.db2.gz CPRAXSFFPLJQRX-KNXALSJPSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983787 500209343 /nfs/dbraw/zinc/20/93/43/500209343.db2.gz CPRAXSFFPLJQRX-KNXALSJPSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156837 500238954 /nfs/dbraw/zinc/23/89/54/500238954.db2.gz NPJYOHPLXKPHEN-DFQSSKMNSA-N 2 1 372.557 3.056 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418185661 500244816 /nfs/dbraw/zinc/24/48/16/500244816.db2.gz RBHCLVAFZWSMTL-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1)[C@@H]1CCCC[C@H]1O ZINC000426197495 500245842 /nfs/dbraw/zinc/24/58/42/500245842.db2.gz CNJXTQULLIDVFU-GXRSIYKFSA-N 2 1 360.542 3.157 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])ccc2c1 ZINC000430546147 500251778 /nfs/dbraw/zinc/25/17/78/500251778.db2.gz JCYFGURVMJOTGT-INIZCTEOSA-N 2 1 371.525 3.112 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])ccc2c1 ZINC000430546147 500251779 /nfs/dbraw/zinc/25/17/79/500251779.db2.gz JCYFGURVMJOTGT-INIZCTEOSA-N 2 1 371.525 3.112 20 0 FGADMP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418246030 500255322 /nfs/dbraw/zinc/25/53/22/500255322.db2.gz SVJYAZXJPZGMID-LEWJYISDSA-N 2 1 372.557 3.120 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595675 500260187 /nfs/dbraw/zinc/26/01/87/500260187.db2.gz YFWNKLCDGMGQDP-MXTNKPTQSA-N 2 1 357.542 3.190 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595675 500260188 /nfs/dbraw/zinc/26/01/88/500260188.db2.gz YFWNKLCDGMGQDP-MXTNKPTQSA-N 2 1 357.542 3.190 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC12CCCC2 ZINC000430673493 500268458 /nfs/dbraw/zinc/26/84/58/500268458.db2.gz DBNOPHLNFKPORM-FQEVSTJZSA-N 2 1 361.574 3.221 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000422564725 500275283 /nfs/dbraw/zinc/27/52/83/500275283.db2.gz WSJWJVUQLOLGDQ-NFAWXSAZSA-N 2 1 360.420 3.442 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418466763 500280496 /nfs/dbraw/zinc/28/04/96/500280496.db2.gz ROHVHCJCKXOZFD-KRWDZBQOSA-N 2 1 360.546 3.360 20 0 FGADMP C[N@@H+](CCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1)C1CCCCC1 ZINC000430762251 500281606 /nfs/dbraw/zinc/28/16/06/500281606.db2.gz LMCDXVKQZWZVLQ-UHFFFAOYSA-N 2 1 370.541 3.375 20 0 FGADMP [NH3+]CCc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000579488020 506187046 /nfs/dbraw/zinc/18/70/46/506187046.db2.gz XQYBWGYFCGSZGV-UHFFFAOYSA-N 2 1 371.912 3.189 20 0 FGADMP [NH3+]CCc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000579488020 506187050 /nfs/dbraw/zinc/18/70/50/506187050.db2.gz XQYBWGYFCGSZGV-UHFFFAOYSA-N 2 1 371.912 3.189 20 0 FGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422720935 500289810 /nfs/dbraw/zinc/28/98/10/500289810.db2.gz UFZCABQTIHDNFG-FDFHNCONSA-N 2 1 359.558 3.418 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cn2cc(Br)ccc2n1 ZINC000422732477 500291226 /nfs/dbraw/zinc/29/12/26/500291226.db2.gz OMVIXGKEQJTBEE-NSHDSACASA-N 2 1 374.286 3.110 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739825 500292469 /nfs/dbraw/zinc/29/24/69/500292469.db2.gz LXOYWDHRNHOLGP-KAGYGMCKSA-N 2 1 357.542 3.487 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739825 500292471 /nfs/dbraw/zinc/29/24/71/500292471.db2.gz LXOYWDHRNHOLGP-KAGYGMCKSA-N 2 1 357.542 3.487 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c[nH+]ccc1N ZINC000422738026 500292654 /nfs/dbraw/zinc/29/26/54/500292654.db2.gz YGVNCOHZPPAEHC-STQMWFEESA-N 2 1 366.387 3.322 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745454 500293212 /nfs/dbraw/zinc/29/32/12/500293212.db2.gz VEMVSQWKBXMQCF-FYYLOGMGSA-N 3 1 365.521 3.484 20 0 FGADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745454 500293214 /nfs/dbraw/zinc/29/32/14/500293214.db2.gz VEMVSQWKBXMQCF-FYYLOGMGSA-N 2 1 365.521 3.484 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745454 500293216 /nfs/dbraw/zinc/29/32/16/500293216.db2.gz VEMVSQWKBXMQCF-FYYLOGMGSA-N 2 1 365.521 3.484 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745465 500293232 /nfs/dbraw/zinc/29/32/32/500293232.db2.gz VEMVSQWKBXMQCF-JTHBVZDNSA-N 3 1 365.521 3.484 20 0 FGADMP CC[N@H+](C)Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745465 500293234 /nfs/dbraw/zinc/29/32/34/500293234.db2.gz VEMVSQWKBXMQCF-JTHBVZDNSA-N 2 1 365.521 3.484 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422745465 500293236 /nfs/dbraw/zinc/29/32/36/500293236.db2.gz VEMVSQWKBXMQCF-JTHBVZDNSA-N 2 1 365.521 3.484 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590904 500294342 /nfs/dbraw/zinc/29/43/42/500294342.db2.gz UGLYKWSCXFRQRQ-MJGOQNOKSA-N 2 1 370.541 3.086 20 0 FGADMP C[NH+](C)Cc1cccc(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806102 500300648 /nfs/dbraw/zinc/30/06/48/500300648.db2.gz KAHDOAXSYKUGLS-IFMALSPDSA-N 2 1 351.494 3.094 20 0 FGADMP C[NH+](C)Cc1cccc(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806104 500300652 /nfs/dbraw/zinc/30/06/52/500300652.db2.gz KAHDOAXSYKUGLS-RBBKRZOGSA-N 2 1 351.494 3.094 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000418652620 500301250 /nfs/dbraw/zinc/30/12/50/500301250.db2.gz MYLHCLPILLARQK-FQEVSTJZSA-N 2 1 372.513 3.005 20 0 FGADMP c1cc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824677 500302963 /nfs/dbraw/zinc/30/29/63/500302963.db2.gz HVJLFYSAVVFJLT-RJGXRXQPSA-N 2 1 371.569 3.309 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678430 500306757 /nfs/dbraw/zinc/30/67/57/500306757.db2.gz CKCAPESTJKMLCM-LWYYNNOASA-N 2 1 364.578 3.048 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@@H]1[NH3+] ZINC000430932327 500309327 /nfs/dbraw/zinc/30/93/27/500309327.db2.gz DZMUFHBPDSURGG-SYNHAJSKSA-N 2 1 357.523 3.013 20 0 FGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422878517 500309393 /nfs/dbraw/zinc/30/93/93/500309393.db2.gz KCRZUZHXMTVHJL-VHRCFOOQSA-N 2 1 370.541 3.267 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422878617 500309418 /nfs/dbraw/zinc/30/94/18/500309418.db2.gz TYDLHXYAERXXOV-LJUAHTATSA-N 2 1 369.239 3.437 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430937786 500309789 /nfs/dbraw/zinc/30/97/89/500309789.db2.gz FKTHCEUDYBWFIL-HUUCEWRRSA-N 2 1 364.559 3.257 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430937787 500309981 /nfs/dbraw/zinc/30/99/81/500309981.db2.gz FKTHCEUDYBWFIL-LSDHHAIUSA-N 2 1 364.559 3.257 20 0 FGADMP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888280 500311895 /nfs/dbraw/zinc/31/18/95/500311895.db2.gz MJSGNGAAVJUWCN-QHAWAJNXSA-N 2 1 363.590 3.310 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c(C(F)(F)F)c2)n1 ZINC000422907606 500314339 /nfs/dbraw/zinc/31/43/39/500314339.db2.gz XFDAHOKNCKBEEE-IRXDYDNUSA-N 2 1 352.404 3.477 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1)CC(C)C ZINC000418766890 500319974 /nfs/dbraw/zinc/31/99/74/500319974.db2.gz KTCDRHOHERBBMH-FQEVSTJZSA-N 2 1 366.594 3.308 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768413 500320887 /nfs/dbraw/zinc/32/08/87/500320887.db2.gz MBHMTWDGFKYZRI-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418780671 500322577 /nfs/dbraw/zinc/32/25/77/500322577.db2.gz YOPKGHFXYGCZDJ-JBACZVJFSA-N 2 1 372.557 3.386 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000431014851 500323092 /nfs/dbraw/zinc/32/30/92/500323092.db2.gz QBPUGNKAMVCPPT-KTGNWYGMSA-N 2 1 352.482 3.279 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000431018982 500324125 /nfs/dbraw/zinc/32/41/25/500324125.db2.gz ZEOMPCWULQLQMW-SEONNTABSA-N 2 1 371.525 3.266 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000423001137 500330048 /nfs/dbraw/zinc/33/00/48/500330048.db2.gz WSEJMZIXTOPSGI-BBRMVZONSA-N 2 1 353.388 3.027 20 0 FGADMP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000423008115 500330405 /nfs/dbraw/zinc/33/04/05/500330405.db2.gz ZKULJPYAILEGHA-KURKYZTESA-N 2 1 352.544 3.139 20 0 FGADMP CCC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000431074312 500331913 /nfs/dbraw/zinc/33/19/13/500331913.db2.gz SEOLGRVJSKHKIY-UHFFFAOYSA-N 2 1 371.447 3.042 20 0 FGADMP CCC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)C1CC[NH2+]CC1 ZINC000431074312 500331915 /nfs/dbraw/zinc/33/19/15/500331915.db2.gz SEOLGRVJSKHKIY-UHFFFAOYSA-N 2 1 371.447 3.042 20 0 FGADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@@H]1OCc1ccccc1 ZINC000423047807 500335067 /nfs/dbraw/zinc/33/50/67/500335067.db2.gz HDNRBWKOUNHCIT-LUYSREMJSA-N 2 1 358.526 3.117 20 0 FGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1Br ZINC000423054452 500336217 /nfs/dbraw/zinc/33/62/17/500336217.db2.gz UOXXWRVJUYEIRJ-BDAKNGLRSA-N 2 1 350.098 3.427 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104676 500343184 /nfs/dbraw/zinc/34/31/84/500343184.db2.gz MKHNCYONXXCRCG-WQANXHIZSA-N 2 1 353.938 3.065 20 0 FGADMP CCCN(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104676 500343185 /nfs/dbraw/zinc/34/31/85/500343185.db2.gz MKHNCYONXXCRCG-WQANXHIZSA-N 2 1 353.938 3.065 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423104856 500343489 /nfs/dbraw/zinc/34/34/89/500343489.db2.gz QHRPHDXBZHENRJ-LLVKDONJSA-N 2 1 354.376 3.036 20 0 FGADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127649 500345877 /nfs/dbraw/zinc/34/58/77/500345877.db2.gz CGTQQNWQFLFDLL-HJNYFJLDSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127808 500356576 /nfs/dbraw/zinc/35/65/76/500356576.db2.gz HQXMBCMLYCZHAQ-FPOVZHCZSA-N 2 1 351.494 3.461 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127808 500356579 /nfs/dbraw/zinc/35/65/79/500356579.db2.gz HQXMBCMLYCZHAQ-FPOVZHCZSA-N 2 1 351.494 3.461 20 0 FGADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314767 500363081 /nfs/dbraw/zinc/36/30/81/500363081.db2.gz HRRHUIKZNRWAQX-MGPUTAFESA-N 2 1 350.466 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427273107 500376330 /nfs/dbraw/zinc/37/63/30/500376330.db2.gz HLPNRNCDOTUPAQ-RTBURBONSA-N 2 1 357.542 3.457 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2)C[C@@H](C)O1 ZINC000427274697 500376621 /nfs/dbraw/zinc/37/66/21/500376621.db2.gz MUVIKHYWGZUDPO-KZNAEPCWSA-N 2 1 359.514 3.014 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423490283 500378533 /nfs/dbraw/zinc/37/85/33/500378533.db2.gz HQOOJLQCBWXCHQ-SFTDATJTSA-N 2 1 358.457 3.086 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000423518028 500381401 /nfs/dbraw/zinc/38/14/01/500381401.db2.gz ZAUXIEQGGAXLRR-YHYVQYDKSA-N 2 1 352.526 3.144 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423811316 500404446 /nfs/dbraw/zinc/40/44/46/500404446.db2.gz NQGHOMVGPMBPGJ-IYVPYFHTSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423811316 500404447 /nfs/dbraw/zinc/40/44/47/500404447.db2.gz NQGHOMVGPMBPGJ-IYVPYFHTSA-N 2 1 355.885 3.102 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811139 500404508 /nfs/dbraw/zinc/40/45/08/500404508.db2.gz BRVGKBXAURJCTC-GBBGEASQSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811139 500404510 /nfs/dbraw/zinc/40/45/10/500404510.db2.gz BRVGKBXAURJCTC-GBBGEASQSA-N 2 1 361.917 3.122 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000423813284 500405055 /nfs/dbraw/zinc/40/50/55/500405055.db2.gz SEALQGFBVKDVBT-HNNXBMFYSA-N 2 1 368.319 3.227 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423819377 500405978 /nfs/dbraw/zinc/40/59/78/500405978.db2.gz FUKJKHXKVQSPJB-WIYYLYMNSA-N 2 1 357.542 3.135 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779983 500424002 /nfs/dbraw/zinc/42/40/02/500424002.db2.gz WBRLTKGGCGIANK-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431779983 500424006 /nfs/dbraw/zinc/42/40/06/500424006.db2.gz WBRLTKGGCGIANK-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431779983 500424010 /nfs/dbraw/zinc/42/40/10/500424010.db2.gz WBRLTKGGCGIANK-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957653 500424246 /nfs/dbraw/zinc/42/42/46/500424246.db2.gz AULNIBMPEGENIA-TZIWHRDSSA-N 2 1 355.526 3.275 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H](C)C[C@H]3C[NH3+])c2c1C ZINC000420268778 500430911 /nfs/dbraw/zinc/43/09/11/500430911.db2.gz ZLCUVKKMQBLASR-CJNGLKHVSA-N 2 1 373.570 3.468 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420295728 500435916 /nfs/dbraw/zinc/43/59/16/500435916.db2.gz CNMXMLWSOYEVPM-BBRMVZONSA-N 2 1 370.278 3.428 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420295729 500436080 /nfs/dbraw/zinc/43/60/80/500436080.db2.gz CNMXMLWSOYEVPM-CJNGLKHVSA-N 2 1 370.278 3.428 20 0 FGADMP CCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420294192 500436198 /nfs/dbraw/zinc/43/61/98/500436198.db2.gz AVOCTJLQLHPPOQ-PKOBYXMFSA-N 2 1 369.509 3.477 20 0 FGADMP CCC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420294192 500436200 /nfs/dbraw/zinc/43/62/00/500436200.db2.gz AVOCTJLQLHPPOQ-PKOBYXMFSA-N 2 1 369.509 3.477 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317022 500439636 /nfs/dbraw/zinc/43/96/36/500439636.db2.gz UHBFRXMNPKBCLC-MLGOLLRUSA-N 2 1 356.297 3.160 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317022 500439640 /nfs/dbraw/zinc/43/96/40/500439640.db2.gz UHBFRXMNPKBCLC-MLGOLLRUSA-N 2 1 356.297 3.160 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324627 500442019 /nfs/dbraw/zinc/44/20/19/500442019.db2.gz HLAUOAOGWDZMQS-XMTFNYHQSA-N 2 1 361.555 3.122 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000427884784 500442591 /nfs/dbraw/zinc/44/25/91/500442591.db2.gz HEESBUKEVJTIPN-BQJUDKOJSA-N 2 1 350.510 3.088 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332147 500443009 /nfs/dbraw/zinc/44/30/09/500443009.db2.gz RJXRQYHJCRQUMC-LJQANCHMSA-N 2 1 354.494 3.296 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1Cl ZINC000420337042 500444292 /nfs/dbraw/zinc/44/42/92/500444292.db2.gz NAZFIPQIACEVID-MJGOQNOKSA-N 2 1 361.917 3.299 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc2S1 ZINC000420346078 500445242 /nfs/dbraw/zinc/44/52/42/500445242.db2.gz XJIMLTRMEQZECD-FUHWJXTLSA-N 2 1 373.566 3.368 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420362076 500447723 /nfs/dbraw/zinc/44/77/23/500447723.db2.gz HLYCWTRTYXINJG-INIZCTEOSA-N 2 1 357.267 3.043 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000420362076 500447725 /nfs/dbraw/zinc/44/77/25/500447725.db2.gz HLYCWTRTYXINJG-INIZCTEOSA-N 2 1 357.267 3.043 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000420359389 500447887 /nfs/dbraw/zinc/44/78/87/500447887.db2.gz JZBOHGZRZZHYLT-NHCUHLMSSA-N 2 1 365.521 3.064 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420364016 500448840 /nfs/dbraw/zinc/44/88/40/500448840.db2.gz OPQHCUZOWCNRCE-NHYWBVRUSA-N 2 1 358.313 3.148 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402054 500456275 /nfs/dbraw/zinc/45/62/75/500456275.db2.gz PXXMTFWMFKLBGZ-WTOYTKOKSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402054 500456277 /nfs/dbraw/zinc/45/62/77/500456277.db2.gz PXXMTFWMFKLBGZ-WTOYTKOKSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000428215169 500482157 /nfs/dbraw/zinc/48/21/57/500482157.db2.gz JUKSYKOZTDRMJC-HUUCEWRRSA-N 2 1 350.532 3.044 20 0 FGADMP COc1cc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c(SC)cc1OC ZINC000432349587 500502778 /nfs/dbraw/zinc/50/27/78/500502778.db2.gz YEIINYHUDLKKBD-HNNXBMFYSA-N 2 1 368.543 3.016 20 0 FGADMP COc1cc(C[NH2+]CCCN2CCCO[C@@H](C)C2)c(SC)cc1OC ZINC000432349587 500502781 /nfs/dbraw/zinc/50/27/81/500502781.db2.gz YEIINYHUDLKKBD-HNNXBMFYSA-N 2 1 368.543 3.016 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(SC)cc1OC ZINC000432349587 500502784 /nfs/dbraw/zinc/50/27/84/500502784.db2.gz YEIINYHUDLKKBD-HNNXBMFYSA-N 2 1 368.543 3.016 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(SC)cc1OC ZINC000432349587 500502787 /nfs/dbraw/zinc/50/27/87/500502787.db2.gz YEIINYHUDLKKBD-HNNXBMFYSA-N 2 1 368.543 3.016 20 0 FGADMP C[C@H]1C[N@@H+](CCCNCc2csc(-c3cccs3)n2)CCCO1 ZINC000432363066 500504912 /nfs/dbraw/zinc/50/49/12/500504912.db2.gz RXWHEWQZHWUWHV-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432364641 500505403 /nfs/dbraw/zinc/50/54/03/500505403.db2.gz KRUGGIWPYLGOBR-HNNXBMFYSA-N 2 1 355.320 3.348 20 0 FGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OCC(C)C ZINC000432364362 500505745 /nfs/dbraw/zinc/50/57/45/500505745.db2.gz HWRGNQIHLGSSKU-GOSISDBHSA-N 2 1 364.530 3.321 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000424443373 500506727 /nfs/dbraw/zinc/50/67/27/500506727.db2.gz JYWGPSBSSAZFEO-VQIMIIECSA-N 2 1 352.482 3.411 20 0 FGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425107 500514453 /nfs/dbraw/zinc/51/44/53/500514453.db2.gz LBGFXSFZKZABIV-WMZOPIPTSA-N 2 1 350.503 3.245 20 0 FGADMP COC(=O)C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420955076 500540255 /nfs/dbraw/zinc/54/02/55/500540255.db2.gz XDFFRSHUTQOFSN-NRFANRHFSA-N 2 1 374.525 3.120 20 0 FGADMP OCC[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020639 500555814 /nfs/dbraw/zinc/55/58/14/500555814.db2.gz RIJPEFXORBKODN-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP OCC[C@@H]1CCC[N@@H+](CCCCC[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020639 500555816 /nfs/dbraw/zinc/55/58/16/500555816.db2.gz RIJPEFXORBKODN-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP OCC[C@@H]1CCC[N@H+](CCCCC[NH+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020639 500555821 /nfs/dbraw/zinc/55/58/21/500555821.db2.gz RIJPEFXORBKODN-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000437101974 500601926 /nfs/dbraw/zinc/60/19/26/500601926.db2.gz WYULHRUKAITVIS-AYOQOUSVSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000437101974 500601928 /nfs/dbraw/zinc/60/19/28/500601928.db2.gz WYULHRUKAITVIS-AYOQOUSVSA-N 2 1 350.478 3.376 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766329 500622688 /nfs/dbraw/zinc/62/26/88/500622688.db2.gz NZZOAMLMZLXSRN-IIYDPXPESA-N 2 1 370.324 3.326 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766329 500622692 /nfs/dbraw/zinc/62/26/92/500622692.db2.gz NZZOAMLMZLXSRN-IIYDPXPESA-N 2 1 370.324 3.326 20 0 FGADMP CCn1cc(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000433124411 500631371 /nfs/dbraw/zinc/63/13/71/500631371.db2.gz CCXHBSQHSBWWEU-UHFFFAOYSA-N 2 1 352.526 3.434 20 0 FGADMP C[C@@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000447673235 500642705 /nfs/dbraw/zinc/64/27/05/500642705.db2.gz SNKZYSXDEAOJBQ-BBWFWOEESA-N 2 1 358.530 3.187 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443058246 500670251 /nfs/dbraw/zinc/67/02/51/500670251.db2.gz JVPBFVOYOIAZMC-UZLBHIALSA-N 2 1 357.523 3.015 20 0 FGADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](CCc4ccccc4)C3)o2)n[nH]1 ZINC000433326601 500673390 /nfs/dbraw/zinc/67/33/90/500673390.db2.gz OLBDKHSQCVJWSC-GOSISDBHSA-N 2 1 350.466 3.324 20 0 FGADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)o2)n[nH]1 ZINC000433326601 500673395 /nfs/dbraw/zinc/67/33/95/500673395.db2.gz OLBDKHSQCVJWSC-GOSISDBHSA-N 2 1 350.466 3.324 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2ccccc2c1 ZINC000443068986 500674376 /nfs/dbraw/zinc/67/43/76/500674376.db2.gz JCZYCQUZCPRHJL-BZSNNMDCSA-N 2 1 353.510 3.466 20 0 FGADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cc2)cc1 ZINC000443070147 500674450 /nfs/dbraw/zinc/67/44/50/500674450.db2.gz KSYGFTXAUMZSOF-SFHVURJKSA-N 2 1 372.534 3.389 20 0 FGADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc2)cc1 ZINC000443070147 500674451 /nfs/dbraw/zinc/67/44/51/500674451.db2.gz KSYGFTXAUMZSOF-SFHVURJKSA-N 2 1 372.534 3.389 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437657920 500677087 /nfs/dbraw/zinc/67/70/87/500677087.db2.gz DKHBYYAQMPJOHV-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)c1 ZINC000437657919 500677290 /nfs/dbraw/zinc/67/72/90/500677290.db2.gz DKHBYYAQMPJOHV-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573564313 506212547 /nfs/dbraw/zinc/21/25/47/506212547.db2.gz DIMVJCONAZRGBP-BZZMCLGOSA-N 2 1 355.482 3.011 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573564313 506212549 /nfs/dbraw/zinc/21/25/49/506212549.db2.gz DIMVJCONAZRGBP-BZZMCLGOSA-N 2 1 355.482 3.011 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437749495 500689923 /nfs/dbraw/zinc/68/99/23/500689923.db2.gz NLPQMWMJMNPCLX-LJQANCHMSA-N 2 1 361.534 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437749495 500689924 /nfs/dbraw/zinc/68/99/24/500689924.db2.gz NLPQMWMJMNPCLX-LJQANCHMSA-N 2 1 361.534 3.068 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447966826 500697891 /nfs/dbraw/zinc/69/78/91/500697891.db2.gz LDOHNGADPUTPAA-FQEVSTJZSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447966826 500697895 /nfs/dbraw/zinc/69/78/95/500697895.db2.gz LDOHNGADPUTPAA-FQEVSTJZSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447966826 500697898 /nfs/dbraw/zinc/69/78/98/500697898.db2.gz LDOHNGADPUTPAA-FQEVSTJZSA-N 2 1 374.573 3.446 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCCc2ccccc2)CC1 ZINC000443640860 500748646 /nfs/dbraw/zinc/74/86/46/500748646.db2.gz OHDRRFHITRLLJQ-QFIPXVFZSA-N 2 1 371.569 3.464 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCCC(C)(C)C3)sc2C1 ZINC000438322343 500769527 /nfs/dbraw/zinc/76/95/27/500769527.db2.gz CFDXGYSFANISPJ-LJQANCHMSA-N 2 1 351.560 3.331 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCCC(C)(C)C3)sc2C1 ZINC000438322343 500769528 /nfs/dbraw/zinc/76/95/28/500769528.db2.gz CFDXGYSFANISPJ-LJQANCHMSA-N 2 1 351.560 3.331 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000438565369 500802277 /nfs/dbraw/zinc/80/22/77/500802277.db2.gz CFEFOFZGMXESHV-FPOVZHCZSA-N 2 1 361.574 3.364 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000438576818 500803776 /nfs/dbraw/zinc/80/37/76/500803776.db2.gz KLUNFHVDBKMKIJ-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000438576818 500803778 /nfs/dbraw/zinc/80/37/78/500803778.db2.gz KLUNFHVDBKMKIJ-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000438576818 500803781 /nfs/dbraw/zinc/80/37/81/500803781.db2.gz KLUNFHVDBKMKIJ-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434348021 500829461 /nfs/dbraw/zinc/82/94/61/500829461.db2.gz CXVJSNWVLCKYJQ-YLJYHZDGSA-N 2 1 372.557 3.432 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000444687307 500879472 /nfs/dbraw/zinc/87/94/72/500879472.db2.gz GFSFYDWDXORRRP-PMACEKPBSA-N 2 1 374.569 3.382 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449037125 500907346 /nfs/dbraw/zinc/90/73/46/500907346.db2.gz MJRBWXMGNKYERY-GCJKJVERSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@@H](C[NH2+]CC(C)(C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449065161 500915754 /nfs/dbraw/zinc/91/57/54/500915754.db2.gz RYSJZZMHUJOBGN-INIZCTEOSA-N 2 1 352.544 3.048 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C[C@H](C)O1 ZINC000449105570 500926683 /nfs/dbraw/zinc/92/66/83/500926683.db2.gz YYLQRKFFITZWPL-CALCHBBNSA-N 2 1 374.504 3.205 20 0 FGADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000449115338 500928643 /nfs/dbraw/zinc/92/86/43/500928643.db2.gz HCAMQHOBWQPOBL-SFHVURJKSA-N 2 1 372.509 3.490 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccccc2OCCO)CC1 ZINC000449173125 500940617 /nfs/dbraw/zinc/94/06/17/500940617.db2.gz WNHLBRJNPWHMGQ-IBGZPJMESA-N 2 1 368.521 3.243 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@@H]2O)CC1 ZINC000449188724 500943650 /nfs/dbraw/zinc/94/36/50/500943650.db2.gz OETNXGKMXOHTSR-VSDWSMLSSA-N 2 1 350.506 3.330 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203609 500947056 /nfs/dbraw/zinc/94/70/56/500947056.db2.gz HMENSNWPWXEHGO-ROUUACIJSA-N 2 1 366.571 3.151 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@@H](C[NH3+])C[C@@H]4C)cc3)nc12 ZINC000435375410 500962081 /nfs/dbraw/zinc/96/20/81/500962081.db2.gz UXIRBTGNXWXYOW-PKOBYXMFSA-N 2 1 364.493 3.391 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000435375570 500962464 /nfs/dbraw/zinc/96/24/64/500962464.db2.gz VLMXVFOVQABQMM-HNAYVOBHSA-N 2 1 356.514 3.483 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000435375570 500962466 /nfs/dbraw/zinc/96/24/66/500962466.db2.gz VLMXVFOVQABQMM-HNAYVOBHSA-N 2 1 356.514 3.483 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCc1ccccc1 ZINC000435379200 500963443 /nfs/dbraw/zinc/96/34/43/500963443.db2.gz LNDRSDPNURCVAN-UFYCRDLUSA-N 2 1 352.478 3.443 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1ccncc1 ZINC000435379598 500963950 /nfs/dbraw/zinc/96/39/50/500963950.db2.gz JUNDVIRGXCUBEE-ZCNNSNEGSA-N 2 1 367.493 3.228 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384220 500965360 /nfs/dbraw/zinc/96/53/60/500965360.db2.gz LNYLTJZOOHPFGV-LPHOPBHVSA-N 2 1 355.482 3.228 20 0 FGADMP Cc1ncsc1C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CC[NH2+]C1 ZINC000435441540 500978163 /nfs/dbraw/zinc/97/81/63/500978163.db2.gz COUNWHVDLZNGIY-HNNXBMFYSA-N 2 1 373.551 3.310 20 0 FGADMP Cc1ncsc1C[N@H+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CC[NH2+]C1 ZINC000435441540 500978165 /nfs/dbraw/zinc/97/81/65/500978165.db2.gz COUNWHVDLZNGIY-HNNXBMFYSA-N 2 1 373.551 3.310 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364940 500987632 /nfs/dbraw/zinc/98/76/32/500987632.db2.gz UKZNWJHZADQPKM-ZPMCFJSWSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272020 500993371 /nfs/dbraw/zinc/99/33/71/500993371.db2.gz TVMINCPKRFQLFF-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000440272020 500993374 /nfs/dbraw/zinc/99/33/74/500993374.db2.gz TVMINCPKRFQLFF-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000440272020 500993378 /nfs/dbraw/zinc/99/33/78/500993378.db2.gz TVMINCPKRFQLFF-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435626799 501004440 /nfs/dbraw/zinc/00/44/40/501004440.db2.gz LKUHSDOJTOECGT-MJGOQNOKSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435626799 501004444 /nfs/dbraw/zinc/00/44/44/501004444.db2.gz LKUHSDOJTOECGT-MJGOQNOKSA-N 2 1 353.510 3.481 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)[C@@H](CO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000449456874 501007237 /nfs/dbraw/zinc/00/72/37/501007237.db2.gz TVQAGRPACRCMMT-QHCPKHFHSA-N 2 1 367.537 3.382 20 0 FGADMP Cn1ccnc1C[N@H+](CCSc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683864 501010604 /nfs/dbraw/zinc/01/06/04/501010604.db2.gz SMHQTYVWZCXSLU-GOSISDBHSA-N 2 1 356.539 3.157 20 0 FGADMP Cn1ccnc1C[N@@H+](CCSc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683864 501010607 /nfs/dbraw/zinc/01/06/07/501010607.db2.gz SMHQTYVWZCXSLU-GOSISDBHSA-N 2 1 356.539 3.157 20 0 FGADMP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500687 501019245 /nfs/dbraw/zinc/01/92/45/501019245.db2.gz NDSRULFYPWQHQW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500687 501019248 /nfs/dbraw/zinc/01/92/48/501019248.db2.gz NDSRULFYPWQHQW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500687 501019251 /nfs/dbraw/zinc/01/92/51/501019251.db2.gz NDSRULFYPWQHQW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449500687 501019252 /nfs/dbraw/zinc/01/92/52/501019252.db2.gz NDSRULFYPWQHQW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP C[C@H](C[S@@](C)=O)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602608066 506230083 /nfs/dbraw/zinc/23/00/83/506230083.db2.gz LSDVJTREPINVDV-VWQFJMCTSA-N 2 1 350.572 3.281 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000449525728 501025804 /nfs/dbraw/zinc/02/58/04/501025804.db2.gz UFEIUEZUVIGTLN-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@H+](CC1(CC(=O)OC)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440777664 501047290 /nfs/dbraw/zinc/04/72/90/501047290.db2.gz WGGFUGSXCJJKEE-UHFFFAOYSA-N 2 1 374.529 3.118 20 0 FGADMP CCC[N@@H+](CC1(CC(=O)OC)CC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440777664 501047293 /nfs/dbraw/zinc/04/72/93/501047293.db2.gz WGGFUGSXCJJKEE-UHFFFAOYSA-N 2 1 374.529 3.118 20 0 FGADMP COC(=O)CC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000440789211 501048575 /nfs/dbraw/zinc/04/85/75/501048575.db2.gz YNQIETFLWRTUAO-UHFFFAOYSA-N 2 1 356.510 3.318 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000436304169 501104876 /nfs/dbraw/zinc/10/48/76/501104876.db2.gz CZHTVIMZROYFNT-XDWAVFMPSA-N 2 1 356.510 3.218 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000441287927 501114402 /nfs/dbraw/zinc/11/44/02/501114402.db2.gz RYQJEZQMTFEEND-ROUUACIJSA-N 2 1 362.562 3.100 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000607721816 506237469 /nfs/dbraw/zinc/23/74/69/506237469.db2.gz VDAPBCUJGQUSAS-SJORKVTESA-N 2 1 362.518 3.011 20 0 FGADMP CC(C)C[C@@H]1C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450058683 501167726 /nfs/dbraw/zinc/16/77/26/501167726.db2.gz IDFMSCLXJUOWFY-TZIWHRDSSA-N 2 1 363.590 3.323 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818264 501168187 /nfs/dbraw/zinc/16/81/87/501168187.db2.gz MURFKZOSXBINEK-LEWJYISDSA-N 2 1 357.542 3.403 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCC3=CCCCC3)CC2)C[C@@H](C)O1 ZINC000450643362 501173634 /nfs/dbraw/zinc/17/36/34/501173634.db2.gz BFTWFBIUQWKUHP-RTBURBONSA-N 2 1 350.547 3.467 20 0 FGADMP CC[NH+](Cc1cc(C[N@H+](CC)[C@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000451047666 501241795 /nfs/dbraw/zinc/24/17/95/501241795.db2.gz CZIXMKMQOZJZJU-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451047666 501241796 /nfs/dbraw/zinc/24/17/96/501241796.db2.gz CZIXMKMQOZJZJU-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451047666 501241797 /nfs/dbraw/zinc/24/17/97/501241797.db2.gz CZIXMKMQOZJZJU-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000451254710 501255150 /nfs/dbraw/zinc/25/51/50/501255150.db2.gz PHLSGQUDRAWQPM-UHFFFAOYSA-N 2 1 370.965 3.241 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)CC1 ZINC000453059232 501260637 /nfs/dbraw/zinc/26/06/37/501260637.db2.gz MDLHDPTZSQRLPX-OAQYLSRUSA-N 2 1 355.526 3.133 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)CC1 ZINC000453070147 501262805 /nfs/dbraw/zinc/26/28/05/501262805.db2.gz MODGQLSAEYGMBJ-UXHICEINSA-N 2 1 366.933 3.131 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2ccncn2)CC1 ZINC000453089373 501266537 /nfs/dbraw/zinc/26/65/37/501266537.db2.gz AZHXPBDBRFDUSE-CVEARBPZSA-N 2 1 357.477 3.169 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000457643643 501275390 /nfs/dbraw/zinc/27/53/90/501275390.db2.gz GCPIVYFBJULMHS-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453234861 501295515 /nfs/dbraw/zinc/29/55/15/501295515.db2.gz XECXJBMXLVESJT-FCEUIQTBSA-N 2 1 350.510 3.360 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000453252478 501300116 /nfs/dbraw/zinc/30/01/16/501300116.db2.gz IRYKKNCAFYGAML-LPHOPBHVSA-N 2 1 367.559 3.219 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@@H+]1C ZINC000453344824 501317813 /nfs/dbraw/zinc/31/78/13/501317813.db2.gz JQLLAZJVNZTGSK-FVQBIDKESA-N 2 1 360.452 3.215 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@H+]1C ZINC000453344824 501317816 /nfs/dbraw/zinc/31/78/16/501317816.db2.gz JQLLAZJVNZTGSK-FVQBIDKESA-N 2 1 360.452 3.215 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000453369257 501321169 /nfs/dbraw/zinc/32/11/69/501321169.db2.gz SXLKOULKDVJOIQ-XLIONFOSSA-N 2 1 374.504 3.238 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000453369257 501321172 /nfs/dbraw/zinc/32/11/72/501321172.db2.gz SXLKOULKDVJOIQ-XLIONFOSSA-N 2 1 374.504 3.238 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000453428929 501330316 /nfs/dbraw/zinc/33/03/16/501330316.db2.gz IAOSQTJILXFPPW-JSRAGOMMSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000453448751 501334473 /nfs/dbraw/zinc/33/44/73/501334473.db2.gz QCVICRLKVVLWTD-KNKQGSTJSA-N 2 1 371.569 3.367 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000453455147 501336584 /nfs/dbraw/zinc/33/65/84/501336584.db2.gz UJVNAAXMFYGKJT-HSZRJFAPSA-N 2 1 352.522 3.461 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455612240 501346756 /nfs/dbraw/zinc/34/67/56/501346756.db2.gz AWGVNGJSHSJPJG-QAPCUYQASA-N 2 1 351.454 3.456 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cn(-c2ccc(F)c(Cl)c2)nn1)C1CC1 ZINC000453590080 501355823 /nfs/dbraw/zinc/35/58/23/501355823.db2.gz AHJVKUJOZNKBJC-UHFFFAOYSA-N 2 1 351.857 3.024 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CC3CC[NH2+]CC3)C4)n2)cc1 ZINC000455659074 501359014 /nfs/dbraw/zinc/35/90/14/501359014.db2.gz OMMVNWBZCQPWMD-WIYYLYMNSA-N 2 1 352.482 3.090 20 0 FGADMP CCN(CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)Cc1ccccc1Cl ZINC000458170901 501384402 /nfs/dbraw/zinc/38/44/02/501384402.db2.gz AGPYLUILWOQQPL-MRXNPFEDSA-N 2 1 351.922 3.010 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)ccc21 ZINC000455863799 501402334 /nfs/dbraw/zinc/40/23/34/501402334.db2.gz SIJIVVSVHNHVOQ-MOPGFXCFSA-N 2 1 358.530 3.477 20 0 FGADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451964980 501409659 /nfs/dbraw/zinc/40/96/59/501409659.db2.gz CIDWJKACMDGAIG-HXUWFJFHSA-N 2 1 361.505 3.260 20 0 FGADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451964980 501409663 /nfs/dbraw/zinc/40/96/63/501409663.db2.gz CIDWJKACMDGAIG-HXUWFJFHSA-N 2 1 361.505 3.260 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000456177179 501469938 /nfs/dbraw/zinc/46/99/38/501469938.db2.gz XBQULXKFEKKRQP-ZIAGYGMSSA-N 2 1 365.484 3.132 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096675 506255486 /nfs/dbraw/zinc/25/54/86/506255486.db2.gz WZOZXFMYEIOMPE-WMZOPIPTSA-N 2 1 360.498 3.011 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096675 506255490 /nfs/dbraw/zinc/25/54/90/506255490.db2.gz WZOZXFMYEIOMPE-WMZOPIPTSA-N 2 1 360.498 3.011 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458655023 501499794 /nfs/dbraw/zinc/49/97/94/501499794.db2.gz CDQPATXUPYIDEE-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456791725 501599379 /nfs/dbraw/zinc/59/93/79/501599379.db2.gz NWRGUALCFSRZOM-UHFFFAOYSA-N 2 1 353.894 3.092 20 0 FGADMP CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1 ZINC000456795236 501600295 /nfs/dbraw/zinc/60/02/95/501600295.db2.gz SWJBCZHOJIEIPD-UHFFFAOYSA-N 2 1 353.894 3.093 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459267039 501621973 /nfs/dbraw/zinc/62/19/73/501621973.db2.gz QKPLCUPGLCYUSM-SFHVURJKSA-N 2 1 360.546 3.012 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454828291 501638803 /nfs/dbraw/zinc/63/88/03/501638803.db2.gz DIGBXGFNMXRVNM-JOCHJYFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000454828291 501638804 /nfs/dbraw/zinc/63/88/04/501638804.db2.gz DIGBXGFNMXRVNM-JOCHJYFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000454828291 501638807 /nfs/dbraw/zinc/63/88/07/501638807.db2.gz DIGBXGFNMXRVNM-JOCHJYFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]Cc2cn3cccnc3n2)C1 ZINC000459387091 501644217 /nfs/dbraw/zinc/64/42/17/501644217.db2.gz JHMCFJDTJUOXNP-HDICACEKSA-N 2 1 363.509 3.497 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cn3cccnc3n2)C1 ZINC000459387091 501644219 /nfs/dbraw/zinc/64/42/19/501644219.db2.gz JHMCFJDTJUOXNP-HDICACEKSA-N 2 1 363.509 3.497 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459428028 501652019 /nfs/dbraw/zinc/65/20/19/501652019.db2.gz AXWCHQCFDNKOIP-MSOLQXFVSA-N 2 1 350.869 3.180 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000459436196 501653665 /nfs/dbraw/zinc/65/36/65/501653665.db2.gz FLXZGVGAIKEHCA-LPHOPBHVSA-N 2 1 374.554 3.049 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442173 501654675 /nfs/dbraw/zinc/65/46/75/501654675.db2.gz WVGNTUXGVCZFPE-PZJWPPBQSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442173 501654676 /nfs/dbraw/zinc/65/46/76/501654676.db2.gz WVGNTUXGVCZFPE-PZJWPPBQSA-N 2 1 358.913 3.355 20 0 FGADMP O=C(C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1)N1CCC1 ZINC000459540457 501672843 /nfs/dbraw/zinc/67/28/43/501672843.db2.gz YLCRPFQYZAPABK-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459728031 501705449 /nfs/dbraw/zinc/70/54/49/501705449.db2.gz CKTZBTJRBPMTHJ-IRXDYDNUSA-N 2 1 365.949 3.399 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000457524620 501716498 /nfs/dbraw/zinc/71/64/98/501716498.db2.gz IPVQMNUGNBIWHS-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457538930 501718679 /nfs/dbraw/zinc/71/86/79/501718679.db2.gz XZYUEBWGOFMXJH-FQEVSTJZSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470600720 501739810 /nfs/dbraw/zinc/73/98/10/501739810.db2.gz MXYSTELQSAKUJP-VBQJREDUSA-N 2 1 371.447 3.297 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000460217135 501762270 /nfs/dbraw/zinc/76/22/70/501762270.db2.gz PWLNSDPVEFHNBR-SFHVURJKSA-N 2 1 358.530 3.067 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324326 501790535 /nfs/dbraw/zinc/79/05/35/501790535.db2.gz DLVAMUQMKYMNQN-SFTDATJTSA-N 2 1 369.484 3.209 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324326 501790541 /nfs/dbraw/zinc/79/05/41/501790541.db2.gz DLVAMUQMKYMNQN-SFTDATJTSA-N 2 1 369.484 3.209 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2C)cc1 ZINC000463736561 501806373 /nfs/dbraw/zinc/80/63/73/501806373.db2.gz WKAOHZYGOZJVMA-UXHICEINSA-N 2 1 368.525 3.273 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2C)cc1 ZINC000463736561 501806378 /nfs/dbraw/zinc/80/63/78/501806378.db2.gz WKAOHZYGOZJVMA-UXHICEINSA-N 2 1 368.525 3.273 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000460481125 501835155 /nfs/dbraw/zinc/83/51/55/501835155.db2.gz RJGHQIOATYVVMK-QKNQBKEWSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460481125 501835161 /nfs/dbraw/zinc/83/51/61/501835161.db2.gz RJGHQIOATYVVMK-QKNQBKEWSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460481125 501835166 /nfs/dbraw/zinc/83/51/66/501835166.db2.gz RJGHQIOATYVVMK-QKNQBKEWSA-N 2 1 374.573 3.459 20 0 FGADMP Cc1cnn(CCCCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471002841 501887516 /nfs/dbraw/zinc/88/75/16/501887516.db2.gz BADHTDCBWVKTQW-SZPZYZBQSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471002841 501887518 /nfs/dbraw/zinc/88/75/18/501887518.db2.gz BADHTDCBWVKTQW-SZPZYZBQSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000471002841 501887523 /nfs/dbraw/zinc/88/75/23/501887523.db2.gz BADHTDCBWVKTQW-SZPZYZBQSA-N 2 1 352.526 3.426 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(Cl)c1 ZINC000467866044 501894364 /nfs/dbraw/zinc/89/43/64/501894364.db2.gz SGMGYZBRFKJTLZ-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000471023394 501894322 /nfs/dbraw/zinc/89/43/22/501894322.db2.gz UOLFCOUNWQFBCY-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000471023394 501894325 /nfs/dbraw/zinc/89/43/25/501894325.db2.gz UOLFCOUNWQFBCY-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000471023394 501894327 /nfs/dbraw/zinc/89/43/27/501894327.db2.gz UOLFCOUNWQFBCY-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000471023394 501894330 /nfs/dbraw/zinc/89/43/30/501894330.db2.gz UOLFCOUNWQFBCY-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677633 501898615 /nfs/dbraw/zinc/89/86/15/501898615.db2.gz GFNBQKYECNNKIY-WMLDXEAASA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677633 501898619 /nfs/dbraw/zinc/89/86/19/501898619.db2.gz GFNBQKYECNNKIY-WMLDXEAASA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677633 501898622 /nfs/dbraw/zinc/89/86/22/501898622.db2.gz GFNBQKYECNNKIY-WMLDXEAASA-N 2 1 367.921 3.339 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707714 501928446 /nfs/dbraw/zinc/92/84/46/501928446.db2.gz DJNSIDTZIJEDEF-ZQDZILKHSA-N 2 1 369.962 3.071 20 0 FGADMP COC(=O)CC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000599020792 506282357 /nfs/dbraw/zinc/28/23/57/506282357.db2.gz XVTPHAVHTMPECA-UHFFFAOYSA-N 2 1 358.526 3.405 20 0 FGADMP CCCc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c1 ZINC000481991689 501937804 /nfs/dbraw/zinc/93/78/04/501937804.db2.gz PFIYGDAHBGSVLT-UHFFFAOYSA-N 2 1 371.569 3.405 20 0 FGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c(C)c1 ZINC000482011479 501946394 /nfs/dbraw/zinc/94/63/94/501946394.db2.gz ANEZHGVHBCMQBJ-GCJKJVERSA-N 2 1 354.542 3.243 20 0 FGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c(C)c1 ZINC000482011479 501946397 /nfs/dbraw/zinc/94/63/97/501946397.db2.gz ANEZHGVHBCMQBJ-GCJKJVERSA-N 2 1 354.542 3.243 20 0 FGADMP CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000478412507 501974149 /nfs/dbraw/zinc/97/41/49/501974149.db2.gz CWGFZUFEWVJJAQ-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000482169290 501996936 /nfs/dbraw/zinc/99/69/36/501996936.db2.gz ZSYZLSJMOABFKS-KDURUIRLSA-N 2 1 372.553 3.375 20 0 FGADMP CCN(C(=O)NCCC[NH+]1CCCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000471372732 502002438 /nfs/dbraw/zinc/00/24/38/502002438.db2.gz HZUZPHOJQQLEFF-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999311 502017570 /nfs/dbraw/zinc/01/75/70/502017570.db2.gz YWVDMLVXWBXLDC-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999311 502017574 /nfs/dbraw/zinc/01/75/74/502017574.db2.gz YWVDMLVXWBXLDC-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474999311 502017579 /nfs/dbraw/zinc/01/75/79/502017579.db2.gz YWVDMLVXWBXLDC-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474999311 502017583 /nfs/dbraw/zinc/01/75/83/502017583.db2.gz YWVDMLVXWBXLDC-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468300410 502019674 /nfs/dbraw/zinc/01/96/74/502019674.db2.gz LAMKAJHPWBGMPF-JOCHJYFZSA-N 2 1 363.505 3.173 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000468300410 502019675 /nfs/dbraw/zinc/01/96/75/502019675.db2.gz LAMKAJHPWBGMPF-JOCHJYFZSA-N 2 1 363.505 3.173 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026048 502026044 /nfs/dbraw/zinc/02/60/44/502026044.db2.gz KTKSDJRGQMXNMX-LEWJYISDSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026048 502026047 /nfs/dbraw/zinc/02/60/47/502026047.db2.gz KTKSDJRGQMXNMX-LEWJYISDSA-N 2 1 369.484 3.382 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[NH+]1CCCCCC1 ZINC000461445749 502116965 /nfs/dbraw/zinc/11/69/65/502116965.db2.gz FQHPGMZJXSCTET-FCEUIQTBSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595108 502121149 /nfs/dbraw/zinc/12/11/49/502121149.db2.gz WQMGAEWIUPXZSW-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000461467832 502125694 /nfs/dbraw/zinc/12/56/94/502125694.db2.gz VQXLFNHWTVYABB-IFMALSPDSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000461469554 502126930 /nfs/dbraw/zinc/12/69/30/502126930.db2.gz LSHQWYRJVPTSNF-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000461469554 502126932 /nfs/dbraw/zinc/12/69/32/502126932.db2.gz LSHQWYRJVPTSNF-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000461469554 502126935 /nfs/dbraw/zinc/12/69/35/502126935.db2.gz LSHQWYRJVPTSNF-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000461469557 502127132 /nfs/dbraw/zinc/12/71/32/502127132.db2.gz LSHQWYRJVPTSNF-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000461469557 502127138 /nfs/dbraw/zinc/12/71/38/502127138.db2.gz LSHQWYRJVPTSNF-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CC1 ZINC000461469557 502127141 /nfs/dbraw/zinc/12/71/41/502127141.db2.gz LSHQWYRJVPTSNF-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H](CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)OCc1ccccc1 ZINC000475320523 502132915 /nfs/dbraw/zinc/13/29/15/502132915.db2.gz JXNFNIGSGXINBK-WOJBJXKFSA-N 2 1 359.558 3.082 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461790083 502202196 /nfs/dbraw/zinc/20/21/96/502202196.db2.gz GYVYOEMTVVTZPL-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000461790083 502202199 /nfs/dbraw/zinc/20/21/99/502202199.db2.gz GYVYOEMTVVTZPL-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000461790083 502202202 /nfs/dbraw/zinc/20/22/02/502202202.db2.gz GYVYOEMTVVTZPL-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475546693 502209700 /nfs/dbraw/zinc/20/97/00/502209700.db2.gz DXHFZBDTARLKES-UNMCSNQZSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546693 502209705 /nfs/dbraw/zinc/20/97/05/502209705.db2.gz DXHFZBDTARLKES-UNMCSNQZSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546693 502209708 /nfs/dbraw/zinc/20/97/08/502209708.db2.gz DXHFZBDTARLKES-UNMCSNQZSA-N 2 1 369.553 3.374 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000475623991 502233280 /nfs/dbraw/zinc/23/32/80/502233280.db2.gz LKTFSFKVIHUVAK-UHFFFAOYSA-N 2 1 353.466 3.201 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000472110105 502235446 /nfs/dbraw/zinc/23/54/46/502235446.db2.gz HMEBYFWBMLPWCT-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000482982203 502236355 /nfs/dbraw/zinc/23/63/55/502236355.db2.gz PVKQYPWKXNDLPI-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482982203 502236362 /nfs/dbraw/zinc/23/63/62/502236362.db2.gz PVKQYPWKXNDLPI-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482982203 502236371 /nfs/dbraw/zinc/23/63/71/502236371.db2.gz PVKQYPWKXNDLPI-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000465431615 502259000 /nfs/dbraw/zinc/25/90/00/502259000.db2.gz KKWJZMHEXUYPIZ-RTWAWAEBSA-N 2 1 374.573 3.368 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582575606 506303785 /nfs/dbraw/zinc/30/37/85/506303785.db2.gz YYVIFXDBFZCMTJ-NNWRFLSQSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582575606 506303790 /nfs/dbraw/zinc/30/37/90/506303790.db2.gz YYVIFXDBFZCMTJ-NNWRFLSQSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582575606 506303797 /nfs/dbraw/zinc/30/37/97/506303797.db2.gz YYVIFXDBFZCMTJ-NNWRFLSQSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582575606 506303803 /nfs/dbraw/zinc/30/38/03/506303803.db2.gz YYVIFXDBFZCMTJ-NNWRFLSQSA-N 2 1 369.553 3.087 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273337 502294614 /nfs/dbraw/zinc/29/46/14/502294614.db2.gz GWIXGAOEKCEZJX-QAPCUYQASA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273337 502294617 /nfs/dbraw/zinc/29/46/17/502294617.db2.gz GWIXGAOEKCEZJX-QAPCUYQASA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000472276592 502296025 /nfs/dbraw/zinc/29/60/25/502296025.db2.gz NPJBXWBJRBSMII-HXUWFJFHSA-N 2 1 361.530 3.181 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000472276592 502296029 /nfs/dbraw/zinc/29/60/29/502296029.db2.gz NPJBXWBJRBSMII-HXUWFJFHSA-N 2 1 361.530 3.181 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC2(C)C)CC1 ZINC000472279930 502296988 /nfs/dbraw/zinc/29/69/88/502296988.db2.gz QUJHIUNGTSCYOX-QGZVFWFLSA-N 2 1 357.542 3.196 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000483176028 502303154 /nfs/dbraw/zinc/30/31/54/502303154.db2.gz JKXGSEYVWPLUHJ-RXVVDRJESA-N 3 1 374.573 3.085 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000465555468 502306939 /nfs/dbraw/zinc/30/69/39/502306939.db2.gz XKTCWXXKYBJZBL-GHTZIAJQSA-N 2 1 372.557 3.200 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000465564655 502309832 /nfs/dbraw/zinc/30/98/32/502309832.db2.gz FVCOPFDVJLLUCE-QRVBRYPASA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000469138067 502312191 /nfs/dbraw/zinc/31/21/91/502312191.db2.gz QHTQZIPLPHBVBM-FPOVZHCZSA-N 2 1 372.557 3.159 20 0 FGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)n2)c1 ZINC000479671768 502340047 /nfs/dbraw/zinc/34/00/47/502340047.db2.gz HQCHTGLFQRGKLP-QGZVFWFLSA-N 2 1 358.461 3.445 20 0 FGADMP CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000465669270 502341916 /nfs/dbraw/zinc/34/19/16/502341916.db2.gz WJUSKEUDBXWUAU-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP O=C(c1cc2sccc2s1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479691043 502346398 /nfs/dbraw/zinc/34/63/98/502346398.db2.gz UKTCRGVKGFZAJG-UHFFFAOYSA-N 2 1 363.552 3.110 20 0 FGADMP CCN(C)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000483311924 502346762 /nfs/dbraw/zinc/34/67/62/502346762.db2.gz QWBACPVRQHPDGN-UHFFFAOYSA-N 2 1 353.514 3.281 20 0 FGADMP Cc1c([C@@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000469254467 502351462 /nfs/dbraw/zinc/35/14/62/502351462.db2.gz XDVPHPDLJAUJGJ-DYESRHJHSA-N 2 1 356.514 3.060 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000469254467 502351466 /nfs/dbraw/zinc/35/14/66/502351466.db2.gz XDVPHPDLJAUJGJ-DYESRHJHSA-N 2 1 356.514 3.060 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC(C)=C(C)C3)CC2)cc1 ZINC000483365242 502363182 /nfs/dbraw/zinc/36/31/82/502363182.db2.gz JNLRORUQYMYKRG-UHFFFAOYSA-N 2 1 355.526 3.071 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC(C)=C(C)C3)CC2)cc1 ZINC000483365242 502363186 /nfs/dbraw/zinc/36/31/86/502363186.db2.gz JNLRORUQYMYKRG-UHFFFAOYSA-N 2 1 355.526 3.071 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743216 502365944 /nfs/dbraw/zinc/36/59/44/502365944.db2.gz PMCYLVWTIVQEAW-IVDHNXQLSA-N 2 1 364.578 3.010 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743216 502365949 /nfs/dbraw/zinc/36/59/49/502365949.db2.gz PMCYLVWTIVQEAW-IVDHNXQLSA-N 2 1 364.578 3.010 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743216 502365953 /nfs/dbraw/zinc/36/59/53/502365953.db2.gz PMCYLVWTIVQEAW-IVDHNXQLSA-N 2 1 364.578 3.010 20 0 FGADMP CO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000469321220 502374958 /nfs/dbraw/zinc/37/49/58/502374958.db2.gz HDHZWBJAEWDUNE-WNRNVDISSA-N 2 1 356.432 3.454 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000469326867 502375866 /nfs/dbraw/zinc/37/58/66/502375866.db2.gz ZHJDCQIUYJCQJK-MSOLQXFVSA-N 2 1 361.530 3.043 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000469326892 502376597 /nfs/dbraw/zinc/37/65/97/502376597.db2.gz ZHJDCQIUYJCQJK-QZTJIDSGSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000465769582 502378599 /nfs/dbraw/zinc/37/85/99/502378599.db2.gz HNXCNSCAESQKIH-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CCO[C@@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581820 502390859 /nfs/dbraw/zinc/39/08/59/502390859.db2.gz PYTFCCYRCAONGT-LEWJYISDSA-N 2 1 365.606 3.462 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000465817613 502393751 /nfs/dbraw/zinc/39/37/51/502393751.db2.gz SZKRXQWEBLCJSP-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487261681 502404373 /nfs/dbraw/zinc/40/43/73/502404373.db2.gz BYHDJNBWGVWTQK-QZTJIDSGSA-N 2 1 352.906 3.206 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000465864218 502407453 /nfs/dbraw/zinc/40/74/53/502407453.db2.gz CMAROHBQTMJSTI-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000465864218 502407458 /nfs/dbraw/zinc/40/74/58/502407458.db2.gz CMAROHBQTMJSTI-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000465864218 502407463 /nfs/dbraw/zinc/40/74/63/502407463.db2.gz CMAROHBQTMJSTI-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886183 502416202 /nfs/dbraw/zinc/41/62/02/502416202.db2.gz ITWONGWREMGOBD-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465886183 502416206 /nfs/dbraw/zinc/41/62/06/502416206.db2.gz ITWONGWREMGOBD-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465886183 502416210 /nfs/dbraw/zinc/41/62/10/502416210.db2.gz ITWONGWREMGOBD-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000465910795 502424548 /nfs/dbraw/zinc/42/45/48/502424548.db2.gz ONOLGRUPURGMMJ-AZUAARDMSA-N 2 1 372.557 3.434 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000483546227 502427456 /nfs/dbraw/zinc/42/74/56/502427456.db2.gz CCRMSJVREGVPLY-PZJWPPBQSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000483546227 502427459 /nfs/dbraw/zinc/42/74/59/502427459.db2.gz CCRMSJVREGVPLY-PZJWPPBQSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000483546227 502427464 /nfs/dbraw/zinc/42/74/64/502427464.db2.gz CCRMSJVREGVPLY-PZJWPPBQSA-N 2 1 355.526 3.227 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@H](C)C1 ZINC000483628927 502447373 /nfs/dbraw/zinc/44/73/73/502447373.db2.gz RYINXQQEIJFZGO-UWVAXJGDSA-N 2 1 352.494 3.320 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1scc(C)c1Cl ZINC000480029898 502451093 /nfs/dbraw/zinc/45/10/93/502451093.db2.gz GPHQVLIXAJLVKS-AWEZNQCLSA-N 2 1 357.951 3.198 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000483646085 502451771 /nfs/dbraw/zinc/45/17/71/502451771.db2.gz RYPCTYNYKJFVKG-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019031 502455819 /nfs/dbraw/zinc/45/58/19/502455819.db2.gz GONPCYCOVHWVDU-PMACEKPBSA-N 2 1 374.573 3.422 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC1 ZINC000483676509 502460150 /nfs/dbraw/zinc/46/01/50/502460150.db2.gz CNEUPWNUEFMQHR-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC1 ZINC000483676509 502460153 /nfs/dbraw/zinc/46/01/53/502460153.db2.gz CNEUPWNUEFMQHR-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000483676509 502460158 /nfs/dbraw/zinc/46/01/58/502460158.db2.gz CNEUPWNUEFMQHR-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466033978 502461260 /nfs/dbraw/zinc/46/12/60/502461260.db2.gz DPMZHCZMIKTJNN-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000487589650 502485915 /nfs/dbraw/zinc/48/59/15/502485915.db2.gz JLSMGTNVUMHIAX-UHFFFAOYSA-N 2 1 365.521 3.486 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000483927535 502522850 /nfs/dbraw/zinc/52/28/50/502522850.db2.gz LIRQMTIFRRCGHI-GHTZIAJQSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000483927535 502522858 /nfs/dbraw/zinc/52/28/58/502522858.db2.gz LIRQMTIFRRCGHI-GHTZIAJQSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927535 502522862 /nfs/dbraw/zinc/52/28/62/502522862.db2.gz LIRQMTIFRRCGHI-GHTZIAJQSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927535 502522868 /nfs/dbraw/zinc/52/28/68/502522868.db2.gz LIRQMTIFRRCGHI-GHTZIAJQSA-N 2 1 366.509 3.395 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000473170113 502534394 /nfs/dbraw/zinc/53/43/94/502534394.db2.gz DVXNZNDXAFBLDJ-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000473170113 502534399 /nfs/dbraw/zinc/53/43/99/502534399.db2.gz DVXNZNDXAFBLDJ-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000473170113 502534404 /nfs/dbraw/zinc/53/44/04/502534404.db2.gz DVXNZNDXAFBLDJ-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000466358397 502546459 /nfs/dbraw/zinc/54/64/59/502546459.db2.gz BRICLKAIVOZPDJ-MYDTUXCISA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000466358397 502546464 /nfs/dbraw/zinc/54/64/64/502546464.db2.gz BRICLKAIVOZPDJ-MYDTUXCISA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858948 502549421 /nfs/dbraw/zinc/54/94/21/502549421.db2.gz NDEYCPQZJVTESS-BJLQDIEVSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858948 502549426 /nfs/dbraw/zinc/54/94/26/502549426.db2.gz NDEYCPQZJVTESS-BJLQDIEVSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473277995 502556790 /nfs/dbraw/zinc/55/67/90/502556790.db2.gz CWGXCKUSMVCSPN-AISZHWQLSA-N 2 1 357.542 3.132 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473277995 502556796 /nfs/dbraw/zinc/55/67/96/502556796.db2.gz CWGXCKUSMVCSPN-AISZHWQLSA-N 2 1 357.542 3.132 20 0 FGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000473309711 502563714 /nfs/dbraw/zinc/56/37/14/502563714.db2.gz VAFCCDIALLFASZ-FQEVSTJZSA-N 2 1 357.542 3.137 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000487922694 502568731 /nfs/dbraw/zinc/56/87/31/502568731.db2.gz XKQFXHNMPRLKEG-TZIWHRDSSA-N 2 1 357.542 3.404 20 0 FGADMP CCC[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870497 502577021 /nfs/dbraw/zinc/57/70/21/502577021.db2.gz JJAFNXJPMMVUNV-TYPHKJRUSA-N 2 1 357.542 3.151 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000476762188 502580738 /nfs/dbraw/zinc/58/07/38/502580738.db2.gz MURFWNCJQFCKCA-INMHGKMJSA-N 2 1 351.560 3.414 20 0 FGADMP Cc1ncc(CNc2cccc(C[N@H+]3CC[C@H](O)C3)c2)n1-c1ccccc1 ZINC000462879167 502610414 /nfs/dbraw/zinc/61/04/14/502610414.db2.gz WHYMGCBXPJCRSZ-QFIPXVFZSA-N 2 1 362.477 3.359 20 0 FGADMP Cc1nc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000462885930 502614516 /nfs/dbraw/zinc/61/45/16/502614516.db2.gz WMYPLEPCJCTOLU-UZLBHIALSA-N 2 1 358.555 3.481 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462888607 502615282 /nfs/dbraw/zinc/61/52/82/502615282.db2.gz OVPIMXYMVLMAGD-SFHVURJKSA-N 2 1 365.477 3.019 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2cccc(Br)c2OC(F)F)CC1 ZINC000469994228 502622809 /nfs/dbraw/zinc/62/28/09/502622809.db2.gz YJFKVHBVRYQYHB-UHFFFAOYSA-N 2 1 363.246 3.482 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476928188 502624101 /nfs/dbraw/zinc/62/41/01/502624101.db2.gz GIQMEAUAIUBBGE-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725583 502653977 /nfs/dbraw/zinc/65/39/77/502653977.db2.gz YPNZTPULAKUQPO-FPOVZHCZSA-N 2 1 357.542 3.369 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2)C1 ZINC000470117912 502666227 /nfs/dbraw/zinc/66/62/27/502666227.db2.gz RBVMGDMJNOWRQZ-KZNAEPCWSA-N 2 1 359.514 3.219 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000463063984 502681316 /nfs/dbraw/zinc/68/13/16/502681316.db2.gz XFGJCSFINFRHCK-PMACEKPBSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077928 502686630 /nfs/dbraw/zinc/68/66/30/502686630.db2.gz MKEFLHDMFNOZAR-WTIAFYNJSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077928 502686632 /nfs/dbraw/zinc/68/66/32/502686632.db2.gz MKEFLHDMFNOZAR-WTIAFYNJSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639087 502691634 /nfs/dbraw/zinc/69/16/34/502691634.db2.gz CPPHQOULIRDXIS-CTLHLVSWSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639087 502691641 /nfs/dbraw/zinc/69/16/41/502691641.db2.gz CPPHQOULIRDXIS-CTLHLVSWSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639087 502691647 /nfs/dbraw/zinc/69/16/47/502691647.db2.gz CPPHQOULIRDXIS-CTLHLVSWSA-N 2 1 370.541 3.089 20 0 FGADMP Cc1ccc2nc(CSCC(=O)NC[C@@H]3CCCC[N@H+]3C3CC3)cn2c1 ZINC000470173498 502693568 /nfs/dbraw/zinc/69/35/68/502693568.db2.gz LQSLHVKOPCQVFU-SFHVURJKSA-N 2 1 372.538 3.009 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463126673 502702399 /nfs/dbraw/zinc/70/23/99/502702399.db2.gz KBNDTZRKGVJLDZ-PGRDOPGGSA-N 2 1 365.521 3.231 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463126673 502702402 /nfs/dbraw/zinc/70/24/02/502702402.db2.gz KBNDTZRKGVJLDZ-PGRDOPGGSA-N 2 1 365.521 3.231 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488416307 502709139 /nfs/dbraw/zinc/70/91/39/502709139.db2.gz QKOYXIYKLNJIOH-SFTDATJTSA-N 2 1 361.599 3.444 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000488422806 502711135 /nfs/dbraw/zinc/71/11/35/502711135.db2.gz WEUVZZNEXHHOHL-AWEZNQCLSA-N 2 1 352.910 3.116 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499215 502733067 /nfs/dbraw/zinc/73/30/67/502733067.db2.gz NQPBZSHQGDKOOS-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP CC(C)[NH+]1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000463240244 502733070 /nfs/dbraw/zinc/73/30/70/502733070.db2.gz MDTUCMDSPBLQCX-FRIKZZABSA-N 3 1 371.569 3.007 20 0 FGADMP CC(C)[NH+]1CCC(O)(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000463240244 502733076 /nfs/dbraw/zinc/73/30/76/502733076.db2.gz MDTUCMDSPBLQCX-FRIKZZABSA-N 2 1 371.569 3.007 20 0 FGADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481036960 502736620 /nfs/dbraw/zinc/73/66/20/502736620.db2.gz OSJHWTALMQEYEN-GFCCVEGCSA-N 2 1 364.490 3.036 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000463270298 502742454 /nfs/dbraw/zinc/74/24/54/502742454.db2.gz FZDFAIQALYXMBS-LLMJNHHCSA-N 2 1 360.542 3.195 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000463270298 502742461 /nfs/dbraw/zinc/74/24/61/502742461.db2.gz FZDFAIQALYXMBS-LLMJNHHCSA-N 2 1 360.542 3.195 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000466975892 502743775 /nfs/dbraw/zinc/74/37/75/502743775.db2.gz GAWHFUGJVDZXEV-UHFFFAOYSA-N 2 1 374.573 3.245 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536959 502744545 /nfs/dbraw/zinc/74/45/45/502744545.db2.gz XRWLMGDQLQMSBD-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536959 502744550 /nfs/dbraw/zinc/74/45/50/502744550.db2.gz XRWLMGDQLQMSBD-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536959 502744553 /nfs/dbraw/zinc/74/45/53/502744553.db2.gz XRWLMGDQLQMSBD-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000488536959 502744561 /nfs/dbraw/zinc/74/45/61/502744561.db2.gz XRWLMGDQLQMSBD-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000477396943 502763687 /nfs/dbraw/zinc/76/36/87/502763687.db2.gz WBMAOINNWDVLAA-SFHVURJKSA-N 2 1 360.546 3.119 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481194361 502779672 /nfs/dbraw/zinc/77/96/72/502779672.db2.gz WFNJMXNSJRTBCD-IRFCIJBXSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481194361 502779674 /nfs/dbraw/zinc/77/96/74/502779674.db2.gz WFNJMXNSJRTBCD-IRFCIJBXSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481194362 502779690 /nfs/dbraw/zinc/77/96/90/502779690.db2.gz WFNJMXNSJRTBCD-SVFBPWRDSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481194362 502779693 /nfs/dbraw/zinc/77/96/93/502779693.db2.gz WFNJMXNSJRTBCD-SVFBPWRDSA-N 2 1 359.558 3.380 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000501024920 502914854 /nfs/dbraw/zinc/91/48/54/502914854.db2.gz OVKGEXGBJIRAIT-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000501024920 502914860 /nfs/dbraw/zinc/91/48/60/502914860.db2.gz OVKGEXGBJIRAIT-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000501024920 502914863 /nfs/dbraw/zinc/91/48/63/502914863.db2.gz OVKGEXGBJIRAIT-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066129 502926508 /nfs/dbraw/zinc/92/65/08/502926508.db2.gz CTPIUSXMLAMSBN-UYAOXDASSA-N 2 1 372.557 3.409 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568550 502936788 /nfs/dbraw/zinc/93/67/88/502936788.db2.gz MBHYJCNFFOQUQN-OKZBNKHCSA-N 2 1 364.534 3.225 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1)C1CC1 ZINC000505607840 502948840 /nfs/dbraw/zinc/94/88/40/502948840.db2.gz MVCNDOUONOSYDF-JOCHJYFZSA-N 2 1 355.526 3.229 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1)C1CC1 ZINC000505607840 502948843 /nfs/dbraw/zinc/94/88/43/502948843.db2.gz MVCNDOUONOSYDF-JOCHJYFZSA-N 2 1 355.526 3.229 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1)C1CC1 ZINC000505607840 502948848 /nfs/dbraw/zinc/94/88/48/502948848.db2.gz MVCNDOUONOSYDF-JOCHJYFZSA-N 2 1 355.526 3.229 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178284 502953711 /nfs/dbraw/zinc/95/37/11/502953711.db2.gz YGQPJXCQRUFMMD-KZNAEPCWSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@H+]1Cc1ccccc1 ZINC000513504708 502954324 /nfs/dbraw/zinc/95/43/24/502954324.db2.gz FACIIPMIVNGSSY-PXNSSMCTSA-N 2 1 363.509 3.359 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccc2OC)CC1 ZINC000505636894 502956491 /nfs/dbraw/zinc/95/64/91/502956491.db2.gz MRIHZBUYGCHURI-UHFFFAOYSA-N 2 1 353.510 3.469 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000489535967 502980853 /nfs/dbraw/zinc/98/08/53/502980853.db2.gz IHUJCSAPCDCFLV-MSOLQXFVSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000509846612 502997728 /nfs/dbraw/zinc/99/77/28/502997728.db2.gz BOEXOQJKBABNGW-XXBNENTESA-N 2 1 367.537 3.292 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489613825 502998912 /nfs/dbraw/zinc/99/89/12/502998912.db2.gz TVZKXLMJAALQSQ-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402457 503002344 /nfs/dbraw/zinc/00/23/44/503002344.db2.gz ZJQVFPORTKCJKT-ICSRJNTNSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501490214 503019639 /nfs/dbraw/zinc/01/96/39/503019639.db2.gz JOAYXPKQEQRDAH-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000501495859 503021471 /nfs/dbraw/zinc/02/14/71/503021471.db2.gz QAWHLOQQRWFCBS-WOJBJXKFSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000501495859 503021472 /nfs/dbraw/zinc/02/14/72/503021472.db2.gz QAWHLOQQRWFCBS-WOJBJXKFSA-N 2 1 372.557 3.085 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000497745109 503030271 /nfs/dbraw/zinc/03/02/71/503030271.db2.gz IDCCMZLTTXZVKN-SFHVURJKSA-N 2 1 367.603 3.119 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861513 503051038 /nfs/dbraw/zinc/05/10/38/503051038.db2.gz OJZZYGKEWVDAKL-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(OC(F)F)cc1)CC1CCCC1 ZINC000489885927 503056409 /nfs/dbraw/zinc/05/64/09/503056409.db2.gz PCDWXRIXHAWQEP-UHFFFAOYSA-N 2 1 355.429 3.068 20 0 FGADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(OC(F)F)cc1)CC1CCCC1 ZINC000489885927 503056414 /nfs/dbraw/zinc/05/64/14/503056414.db2.gz PCDWXRIXHAWQEP-UHFFFAOYSA-N 2 1 355.429 3.068 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904824 503061111 /nfs/dbraw/zinc/06/11/11/503061111.db2.gz CTVMWKZLMYCYOB-GXTWGEPZSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904824 503061115 /nfs/dbraw/zinc/06/11/15/503061115.db2.gz CTVMWKZLMYCYOB-GXTWGEPZSA-N 2 1 358.313 3.374 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000514023286 503070346 /nfs/dbraw/zinc/07/03/46/503070346.db2.gz VZGWIOXEYAVFQJ-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000514122700 503093525 /nfs/dbraw/zinc/09/35/25/503093525.db2.gz NANVGXGAGAEWGS-RBUKOAKNSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000514122700 503093528 /nfs/dbraw/zinc/09/35/28/503093528.db2.gz NANVGXGAGAEWGS-RBUKOAKNSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000514122700 503093531 /nfs/dbraw/zinc/09/35/31/503093531.db2.gz NANVGXGAGAEWGS-RBUKOAKNSA-N 2 1 366.594 3.308 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856511 503094852 /nfs/dbraw/zinc/09/48/52/503094852.db2.gz JPLVJOWZOGFTQB-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000501863441 503096334 /nfs/dbraw/zinc/09/63/34/503096334.db2.gz PPGSNPWODNXXJJ-FGTMMUONSA-N 2 1 358.530 3.018 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCCC[C@@H]2/C=C\c2cccs2)CC1 ZINC000514238935 503122154 /nfs/dbraw/zinc/12/21/54/503122154.db2.gz ITMSLDAIHCOIQR-CNZFZVQHSA-N 2 1 361.555 3.170 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCCC[C@@H]2/C=C\c2cccs2)CC1 ZINC000514238935 503122157 /nfs/dbraw/zinc/12/21/57/503122157.db2.gz ITMSLDAIHCOIQR-CNZFZVQHSA-N 2 1 361.555 3.170 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000498220601 503134059 /nfs/dbraw/zinc/13/40/59/503134059.db2.gz BCDHYHIDIHLTKT-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000514640597 503155367 /nfs/dbraw/zinc/15/53/67/503155367.db2.gz VXRGKNXVPSUQJA-ZVDOUQERSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514640597 503155370 /nfs/dbraw/zinc/15/53/70/503155370.db2.gz VXRGKNXVPSUQJA-ZVDOUQERSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514640597 503155372 /nfs/dbraw/zinc/15/53/72/503155372.db2.gz VXRGKNXVPSUQJA-ZVDOUQERSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640596 503155861 /nfs/dbraw/zinc/15/58/61/503155861.db2.gz VXRGKNXVPSUQJA-ZJOUEHCJSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640596 503155864 /nfs/dbraw/zinc/15/58/64/503155864.db2.gz VXRGKNXVPSUQJA-ZJOUEHCJSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640596 503155866 /nfs/dbraw/zinc/15/58/66/503155866.db2.gz VXRGKNXVPSUQJA-ZJOUEHCJSA-N 2 1 374.573 3.459 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510687724 503172710 /nfs/dbraw/zinc/17/27/10/503172710.db2.gz PJNSVQOLMWHCGJ-FUHWJXTLSA-N 2 1 367.331 3.119 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490577391 503198621 /nfs/dbraw/zinc/19/86/21/503198621.db2.gz GEWDABHZXHKSGB-UHFFFAOYSA-N 2 1 363.509 3.456 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000510872218 503207822 /nfs/dbraw/zinc/20/78/22/503207822.db2.gz LJSOVUQNUBKKLQ-CYVLTUHYSA-N 2 1 359.558 3.100 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1(C)C ZINC000510946054 503223008 /nfs/dbraw/zinc/22/30/08/503223008.db2.gz DWRZMHZORDALMY-QGZVFWFLSA-N 2 1 366.347 3.052 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000490762095 503224084 /nfs/dbraw/zinc/22/40/84/503224084.db2.gz WWVPNSUGECKGTC-NQIIRXRSSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000498625414 503227903 /nfs/dbraw/zinc/22/79/03/503227903.db2.gz FHDGZGYSUDPJBG-FUHIMQAGSA-N 2 1 361.530 3.401 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000498625414 503227904 /nfs/dbraw/zinc/22/79/04/503227904.db2.gz FHDGZGYSUDPJBG-FUHIMQAGSA-N 2 1 361.530 3.401 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC[C@H]3CCCC[NH+]3C)c2)C[C@H](C)O1 ZINC000498634902 503229003 /nfs/dbraw/zinc/22/90/03/503229003.db2.gz CNGVWYFKBDGKSI-LVCYWYKZSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC[C@H]3CCCC[NH+]3C)c2)C[C@H](C)O1 ZINC000498634902 503229007 /nfs/dbraw/zinc/22/90/07/503229007.db2.gz CNGVWYFKBDGKSI-LVCYWYKZSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)C[C@H](C)O1 ZINC000498634902 503229012 /nfs/dbraw/zinc/22/90/12/503229012.db2.gz CNGVWYFKBDGKSI-LVCYWYKZSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)C[C@H](C)O1 ZINC000498634902 503229017 /nfs/dbraw/zinc/22/90/17/503229017.db2.gz CNGVWYFKBDGKSI-LVCYWYKZSA-N 2 1 373.541 3.499 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000502628024 503241524 /nfs/dbraw/zinc/24/15/24/503241524.db2.gz ODYVYTUBHBXXOU-HDYDNRTBSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987784 503256128 /nfs/dbraw/zinc/25/61/28/503256128.db2.gz MXZHDHGSDDAPQF-XLIONFOSSA-N 2 1 370.566 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987784 503256131 /nfs/dbraw/zinc/25/61/31/503256131.db2.gz MXZHDHGSDDAPQF-XLIONFOSSA-N 2 1 370.566 3.268 20 0 FGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000491021619 503261626 /nfs/dbraw/zinc/26/16/26/503261626.db2.gz QHSNKGZXJKKFHN-LEWJYISDSA-N 2 1 359.558 3.030 20 0 FGADMP O[C@H](COc1ccccc1F)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060358 503266850 /nfs/dbraw/zinc/26/68/50/503266850.db2.gz WPHCXGCSRZGJRA-MOPGFXCFSA-N 2 1 364.505 3.153 20 0 FGADMP O[C@H](COc1ccccc1F)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060358 503266852 /nfs/dbraw/zinc/26/68/52/503266852.db2.gz WPHCXGCSRZGJRA-MOPGFXCFSA-N 2 1 364.505 3.153 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[C@H]2C1 ZINC000515089194 503269038 /nfs/dbraw/zinc/26/90/38/503269038.db2.gz HKHBPJSFCWJXMA-IDINPZAYSA-N 2 1 369.553 3.276 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[C@H]2C1 ZINC000515089194 503269041 /nfs/dbraw/zinc/26/90/41/503269041.db2.gz HKHBPJSFCWJXMA-IDINPZAYSA-N 2 1 369.553 3.276 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000502824592 503281559 /nfs/dbraw/zinc/28/15/59/503281559.db2.gz JGMRZXLJEOJDDO-MSOLQXFVSA-N 2 1 364.534 3.226 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215062 503281596 /nfs/dbraw/zinc/28/15/96/503281596.db2.gz GUKHUQATFNSFLZ-WIYYLYMNSA-N 2 1 370.541 3.082 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000502841592 503286306 /nfs/dbraw/zinc/28/63/06/503286306.db2.gz IJYHRNBGWZSYLH-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000502841592 503286311 /nfs/dbraw/zinc/28/63/11/503286311.db2.gz IJYHRNBGWZSYLH-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000502841592 503286316 /nfs/dbraw/zinc/28/63/16/503286316.db2.gz IJYHRNBGWZSYLH-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000502861704 503291731 /nfs/dbraw/zinc/29/17/31/503291731.db2.gz LHTZGGZSWOQVIH-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502861704 503291734 /nfs/dbraw/zinc/29/17/34/503291734.db2.gz LHTZGGZSWOQVIH-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP COCCC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353073 503322497 /nfs/dbraw/zinc/32/24/97/503322497.db2.gz ACWAOZIYSWXJPY-TZIWHRDSSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441901 503323270 /nfs/dbraw/zinc/32/32/70/503323270.db2.gz VMAJHGOKSKTSDQ-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NCC[N@@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000503021997 503327850 /nfs/dbraw/zinc/32/78/50/503327850.db2.gz DJBSRHCANFJXKL-KRWDZBQOSA-N 2 1 358.530 3.043 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(CC[NH+](C)C)cc2)c1 ZINC000515388127 503328653 /nfs/dbraw/zinc/32/86/53/503328653.db2.gz RDYLVYADFOMWNM-UHFFFAOYSA-N 2 1 353.510 3.172 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503043877 503333204 /nfs/dbraw/zinc/33/32/04/503333204.db2.gz LRTSNGFYKRPLDM-LDVJMBRRSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000503043877 503333207 /nfs/dbraw/zinc/33/32/07/503333207.db2.gz LRTSNGFYKRPLDM-LDVJMBRRSA-N 2 1 350.506 3.263 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)c2ccccc2)CC1 ZINC000503055758 503337754 /nfs/dbraw/zinc/33/77/54/503337754.db2.gz PIPAKZCBXKNJJH-FPOVZHCZSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000511564742 503344621 /nfs/dbraw/zinc/34/46/21/503344621.db2.gz GZSDCFQBNOJJRI-HOTGVXAUSA-N 2 1 362.468 3.394 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499156386 503345806 /nfs/dbraw/zinc/34/58/06/503345806.db2.gz LFMUPMUGBYFKFV-WKCHPHFGSA-N 2 1 355.526 3.174 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499187136 503351947 /nfs/dbraw/zinc/35/19/47/503351947.db2.gz IEPZTKSEJPEHDU-REPLKXPHSA-N 2 1 355.457 3.385 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000499200487 503353701 /nfs/dbraw/zinc/35/37/01/503353701.db2.gz BZGIWVHVSMOXHS-SBHAEUEKSA-N 2 1 374.573 3.263 20 0 FGADMP C[C@@H]1CN(CCCNC(=O)c2cccc(Oc3ccncc3)c2)C[C@H](C)O1 ZINC000492461574 503370212 /nfs/dbraw/zinc/37/02/12/503370212.db2.gz DBWIUKRLKQHCJE-CALCHBBNSA-N 2 1 369.465 3.103 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492580725 503375730 /nfs/dbraw/zinc/37/57/30/503375730.db2.gz PJVGFCOOCZWOTB-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492580725 503375734 /nfs/dbraw/zinc/37/57/34/503375734.db2.gz PJVGFCOOCZWOTB-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000499505804 503421012 /nfs/dbraw/zinc/42/10/12/503421012.db2.gz CZPAWGQZMMVUCR-OAHLLOKOSA-N 2 1 372.340 3.482 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc2ccccc21 ZINC000499520794 503424184 /nfs/dbraw/zinc/42/41/84/503424184.db2.gz MORFRHWDJDXOGR-OAQYLSRUSA-N 2 1 367.537 3.257 20 0 FGADMP C[C@@H](NCc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511990222 503430478 /nfs/dbraw/zinc/43/04/78/503430478.db2.gz OAKFWIBYMPEAMG-AEFFLSMTSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@@H](NCc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511990222 503430481 /nfs/dbraw/zinc/43/04/81/503430481.db2.gz OAKFWIBYMPEAMG-AEFFLSMTSA-N 2 1 358.555 3.205 20 0 FGADMP COc1cccc(OC)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000512013883 503434524 /nfs/dbraw/zinc/43/45/24/503434524.db2.gz GYBRFTRMOWFNOW-UHFFFAOYSA-N 2 1 370.493 3.468 20 0 FGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000493668197 503438198 /nfs/dbraw/zinc/43/81/98/503438198.db2.gz CDSMFNPVDDDJQV-VGSWGCGISA-N 2 1 353.510 3.484 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000512042712 503441562 /nfs/dbraw/zinc/44/15/62/503441562.db2.gz YIKRCJOPXQVEGS-QGZVFWFLSA-N 2 1 350.576 3.339 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000512042712 503441563 /nfs/dbraw/zinc/44/15/63/503441563.db2.gz YIKRCJOPXQVEGS-QGZVFWFLSA-N 2 1 350.576 3.339 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612174 503442689 /nfs/dbraw/zinc/44/26/89/503442689.db2.gz ZDPTVEJNGNIKKL-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612174 503442691 /nfs/dbraw/zinc/44/26/91/503442691.db2.gz ZDPTVEJNGNIKKL-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000499612174 503442694 /nfs/dbraw/zinc/44/26/94/503442694.db2.gz ZDPTVEJNGNIKKL-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(Br)c1 ZINC000512050627 503444356 /nfs/dbraw/zinc/44/43/56/503444356.db2.gz CWACURKKCHGNLF-GFCCVEGCSA-N 2 1 352.276 3.389 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Br)cc2)s1 ZINC000512050840 503444369 /nfs/dbraw/zinc/44/43/69/503444369.db2.gz DSOIMEKXTCBRDU-UHFFFAOYSA-N 2 1 354.317 3.300 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000493835820 503449228 /nfs/dbraw/zinc/44/92/28/503449228.db2.gz NSVPOYUYFZWFRS-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)CC1 ZINC000516183726 503465552 /nfs/dbraw/zinc/46/55/52/503465552.db2.gz TWRYZPKDBOPIHM-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000516183726 503465555 /nfs/dbraw/zinc/46/55/55/503465555.db2.gz TWRYZPKDBOPIHM-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000516183726 503465558 /nfs/dbraw/zinc/46/55/58/503465558.db2.gz TWRYZPKDBOPIHM-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493961611 503465953 /nfs/dbraw/zinc/46/59/53/503465953.db2.gz QPLLMWDUZLGAKW-GCJKJVERSA-N 2 1 354.494 3.385 20 0 FGADMP CC(C)COc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516207765 503470574 /nfs/dbraw/zinc/47/05/74/503470574.db2.gz KFBQYDNTXOLXBX-UHFFFAOYSA-N 2 1 368.481 3.121 20 0 FGADMP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000494000584 503472830 /nfs/dbraw/zinc/47/28/30/503472830.db2.gz SLVDMWWCAAFOOY-UWJYYQICSA-N 2 1 351.494 3.141 20 0 FGADMP C[NH2+]C[C@](C)(O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000516300598 503490539 /nfs/dbraw/zinc/49/05/39/503490539.db2.gz DTDPJVZAZJXXDR-FQEVSTJZSA-N 2 1 370.522 3.003 20 0 FGADMP C[NH2+]C[C@](C)(O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000516300598 503490542 /nfs/dbraw/zinc/49/05/42/503490542.db2.gz DTDPJVZAZJXXDR-FQEVSTJZSA-N 2 1 370.522 3.003 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCC[N@H+]1CCc2ccccc2C1)C(C)C ZINC000503964203 503500299 /nfs/dbraw/zinc/50/02/99/503500299.db2.gz UHSIZFWUMXQZPK-UHFFFAOYSA-N 2 1 374.573 3.195 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494248352 503512373 /nfs/dbraw/zinc/51/23/73/503512373.db2.gz QXZCYDYCCWUGFY-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494248352 503512376 /nfs/dbraw/zinc/51/23/76/503512376.db2.gz QXZCYDYCCWUGFY-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000494248352 503512381 /nfs/dbraw/zinc/51/23/81/503512381.db2.gz QXZCYDYCCWUGFY-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3CC3CCCCC3)cn2)CC1 ZINC000512379030 503531676 /nfs/dbraw/zinc/53/16/76/503531676.db2.gz DHZFZKHKWPVVQR-FQEVSTJZSA-N 2 1 357.546 3.163 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3CC3CCCCC3)cn2)CC1 ZINC000512379030 503531678 /nfs/dbraw/zinc/53/16/78/503531678.db2.gz DHZFZKHKWPVVQR-FQEVSTJZSA-N 2 1 357.546 3.163 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570878 503539660 /nfs/dbraw/zinc/53/96/60/503539660.db2.gz ISCZWVHADFVSCG-MSOLQXFVSA-N 2 1 372.488 3.438 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718613 503550374 /nfs/dbraw/zinc/55/03/74/503550374.db2.gz OAYQZDJIDHIINS-DUXKGJEZSA-N 2 1 366.505 3.499 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645594 503559028 /nfs/dbraw/zinc/55/90/28/503559028.db2.gz IIVMHFFSKRQYAM-CTNGQTDRSA-N 2 1 358.913 3.355 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604672 503572940 /nfs/dbraw/zinc/57/29/40/503572940.db2.gz YPUWKAVCJAKJLF-NLWGTHIKSA-N 2 1 360.546 3.017 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516767038 503582923 /nfs/dbraw/zinc/58/29/23/503582923.db2.gz MZWAFSMFSHGHFC-ZTFGCOKTSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516767038 503582928 /nfs/dbraw/zinc/58/29/28/503582928.db2.gz MZWAFSMFSHGHFC-ZTFGCOKTSA-N 2 1 367.896 3.119 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000516770949 503583691 /nfs/dbraw/zinc/58/36/91/503583691.db2.gz UTRHQGMGQGEYRZ-JQHSSLGASA-N 2 1 367.493 3.279 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000516770949 503583693 /nfs/dbraw/zinc/58/36/93/503583693.db2.gz UTRHQGMGQGEYRZ-JQHSSLGASA-N 2 1 367.493 3.279 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](OCC2CC2)C1)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704628 503596873 /nfs/dbraw/zinc/59/68/73/503596873.db2.gz SVJFEACUVHXWEO-RGPKIKJVSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](OCC2CC2)C1)C[N@@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704628 503596877 /nfs/dbraw/zinc/59/68/77/503596877.db2.gz SVJFEACUVHXWEO-RGPKIKJVSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](OCC2CC2)C1)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704628 503596881 /nfs/dbraw/zinc/59/68/81/503596881.db2.gz SVJFEACUVHXWEO-RGPKIKJVSA-N 2 1 364.574 3.405 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653206 503603776 /nfs/dbraw/zinc/60/37/76/503603776.db2.gz DEORUCWNVZYMNV-IPMKNSEASA-N 2 1 369.475 3.371 20 0 FGADMP COc1c(C)cc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1C ZINC000512667571 503607980 /nfs/dbraw/zinc/60/79/80/503607980.db2.gz DTOLHNKSRYBUBS-WOJBJXKFSA-N 2 1 359.558 3.302 20 0 FGADMP COc1c(C)cc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000512667569 503608402 /nfs/dbraw/zinc/60/84/02/503608402.db2.gz DTOLHNKSRYBUBS-BGYRXZFFSA-N 2 1 359.558 3.302 20 0 FGADMP COc1c(C)cc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1C ZINC000512667569 503608407 /nfs/dbraw/zinc/60/84/07/503608407.db2.gz DTOLHNKSRYBUBS-BGYRXZFFSA-N 2 1 359.558 3.302 20 0 FGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H]1C ZINC000512673588 503609242 /nfs/dbraw/zinc/60/92/42/503609242.db2.gz RHLUEXBYSPLZFO-SEONNTABSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516959363 503631326 /nfs/dbraw/zinc/63/13/26/503631326.db2.gz LJTYAIKPIXTFOB-UWJYYQICSA-N 2 1 372.557 3.248 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930955 503637879 /nfs/dbraw/zinc/63/78/79/503637879.db2.gz BHIOXRLGYDECAI-SJLPKXTDSA-N 2 1 350.915 3.342 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930955 503637885 /nfs/dbraw/zinc/63/78/85/503637885.db2.gz BHIOXRLGYDECAI-SJLPKXTDSA-N 2 1 350.915 3.342 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(F)ccc2F)[C@@H](c2ccccc2)C1 ZINC000512819887 503639609 /nfs/dbraw/zinc/63/96/09/503639609.db2.gz FHLRIUOEVZFHMM-OAQYLSRUSA-N 2 1 359.464 3.433 20 0 FGADMP COc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)co2)cc1 ZINC000517020554 503645714 /nfs/dbraw/zinc/64/57/14/503645714.db2.gz ICLMRNLUNXAJPF-WOJBJXKFSA-N 2 1 371.481 3.069 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025127 503646563 /nfs/dbraw/zinc/64/65/63/503646563.db2.gz JEYCXCIWIUASOJ-DENIHFKCSA-N 2 1 368.521 3.415 20 0 FGADMP CCc1cc(CC)nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000517192673 503667291 /nfs/dbraw/zinc/66/72/91/503667291.db2.gz RVMQXUSFBDQBTK-UHFFFAOYSA-N 2 1 373.589 3.234 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CCC1 ZINC000532977473 503683254 /nfs/dbraw/zinc/68/32/54/503683254.db2.gz IIECLFYDKRKWMF-NRFANRHFSA-N 2 1 373.541 3.213 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000540180710 503698823 /nfs/dbraw/zinc/69/88/23/503698823.db2.gz BGFGVYYLNXSJLB-POZUXBRTSA-N 2 1 361.511 3.187 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)o1 ZINC000543282661 503710647 /nfs/dbraw/zinc/71/06/47/503710647.db2.gz GKHDFWSAZOUMHZ-IBGZPJMESA-N 2 1 369.509 3.435 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000533181662 503752401 /nfs/dbraw/zinc/75/24/01/503752401.db2.gz NYCTUJOCKVUJCC-MJGOQNOKSA-N 2 1 374.529 3.156 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000536934197 503766150 /nfs/dbraw/zinc/76/61/50/503766150.db2.gz DCBPIIJZCPONJD-KDURUIRLSA-N 2 1 372.553 3.266 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000536934197 503766154 /nfs/dbraw/zinc/76/61/54/503766154.db2.gz DCBPIIJZCPONJD-KDURUIRLSA-N 2 1 372.553 3.266 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCCC1 ZINC000540469672 503780701 /nfs/dbraw/zinc/78/07/01/503780701.db2.gz YNZPAEPBVHSKLF-LJQANCHMSA-N 2 1 357.542 3.439 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000527458212 503795481 /nfs/dbraw/zinc/79/54/81/503795481.db2.gz RONVNOHNZCRNMD-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000527458212 503795486 /nfs/dbraw/zinc/79/54/86/503795486.db2.gz RONVNOHNZCRNMD-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527458212 503795494 /nfs/dbraw/zinc/79/54/94/503795494.db2.gz RONVNOHNZCRNMD-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000540504446 503795711 /nfs/dbraw/zinc/79/57/11/503795711.db2.gz FUYRPEAYDPEPRQ-DENIHFKCSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000540504446 503795716 /nfs/dbraw/zinc/79/57/16/503795716.db2.gz FUYRPEAYDPEPRQ-DENIHFKCSA-N 2 1 359.558 3.179 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000530023199 503796096 /nfs/dbraw/zinc/79/60/96/503796096.db2.gz CRYWQYUSHJGCMN-NQIIRXRSSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023199 503796100 /nfs/dbraw/zinc/79/61/00/503796100.db2.gz CRYWQYUSHJGCMN-NQIIRXRSSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023199 503796105 /nfs/dbraw/zinc/79/61/05/503796105.db2.gz CRYWQYUSHJGCMN-NQIIRXRSSA-N 2 1 373.516 3.171 20 0 FGADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543563770 503812939 /nfs/dbraw/zinc/81/29/39/503812939.db2.gz LAFRVXIHOLNVRV-ZWKOTPCHSA-N 2 1 358.530 3.271 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NCC3=CC[N@@H+](C)CC3)c2)CC1 ZINC000537226143 503848478 /nfs/dbraw/zinc/84/84/78/503848478.db2.gz RCVZNXYGWXWGHB-UHFFFAOYSA-N 2 1 370.541 3.344 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000517924980 503868591 /nfs/dbraw/zinc/86/85/91/503868591.db2.gz CPDQGTFSJWLAAZ-FLQRSKGTSA-N 2 1 358.526 3.048 20 0 FGADMP CC[C@@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(C)(C)C ZINC000537291764 503871538 /nfs/dbraw/zinc/87/15/38/503871538.db2.gz WXRFKXUMMYAPNV-HXUWFJFHSA-N 2 1 359.558 3.444 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530217745 503881278 /nfs/dbraw/zinc/88/12/78/503881278.db2.gz HJFMWWAMTJLWIJ-DOMZBBRYSA-N 2 1 355.404 3.297 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000543777032 503887429 /nfs/dbraw/zinc/88/74/29/503887429.db2.gz IOIIPWUXLCFYJB-DYESRHJHSA-N 2 1 353.510 3.452 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000543777032 503887432 /nfs/dbraw/zinc/88/74/32/503887432.db2.gz IOIIPWUXLCFYJB-DYESRHJHSA-N 2 1 353.510 3.452 20 0 FGADMP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238452 503888303 /nfs/dbraw/zinc/88/83/03/503888303.db2.gz NSOBBDVKIMBNKV-FQEVSTJZSA-N 2 1 373.541 3.013 20 0 FGADMP Brc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530240974 503889731 /nfs/dbraw/zinc/88/97/31/503889731.db2.gz OPDMFZKIFPKXAY-CYBMUJFWSA-N 2 1 359.333 3.101 20 0 FGADMP Brc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC2)s1 ZINC000527687218 503896464 /nfs/dbraw/zinc/89/64/64/503896464.db2.gz RVZVOZHNPLYKOA-UHFFFAOYSA-N 2 1 355.305 3.086 20 0 FGADMP CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)CC1 ZINC000527717212 503911653 /nfs/dbraw/zinc/91/16/53/503911653.db2.gz SQRGWDCFJQNYSZ-IFMALSPDSA-N 2 1 371.569 3.381 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cn3c(n2)SCC3)cc1 ZINC000530327441 503927363 /nfs/dbraw/zinc/92/73/63/503927363.db2.gz MKXJSDDFTBMCOH-AWEZNQCLSA-N 2 1 353.495 3.376 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000537585780 503962678 /nfs/dbraw/zinc/96/26/78/503962678.db2.gz CSRLIYYNPMSOMZ-GOSISDBHSA-N 2 1 372.557 3.265 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000537585780 503962683 /nfs/dbraw/zinc/96/26/83/503962683.db2.gz CSRLIYYNPMSOMZ-GOSISDBHSA-N 2 1 372.557 3.265 20 0 FGADMP CCn1nncc1C[NH2+][C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000527920307 503999324 /nfs/dbraw/zinc/99/93/24/503999324.db2.gz NSWBIWRCNAMGSD-MRXNPFEDSA-N 2 1 357.502 3.143 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000541120856 504015957 /nfs/dbraw/zinc/01/59/57/504015957.db2.gz RGNRQKPRRKDLMR-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144819 504026256 /nfs/dbraw/zinc/02/62/56/504026256.db2.gz ABVHLQFGULJBJM-INIZCTEOSA-N 2 1 374.447 3.250 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144819 504026260 /nfs/dbraw/zinc/02/62/60/504026260.db2.gz ABVHLQFGULJBJM-INIZCTEOSA-N 2 1 374.447 3.250 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055227 504027576 /nfs/dbraw/zinc/02/75/76/504027576.db2.gz HWQDGNZBWKIYIW-ZWKOTPCHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055227 504027582 /nfs/dbraw/zinc/02/75/82/504027582.db2.gz HWQDGNZBWKIYIW-ZWKOTPCHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055227 504027587 /nfs/dbraw/zinc/02/75/87/504027587.db2.gz HWQDGNZBWKIYIW-ZWKOTPCHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055227 504027591 /nfs/dbraw/zinc/02/75/91/504027591.db2.gz HWQDGNZBWKIYIW-ZWKOTPCHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055227 504027597 /nfs/dbraw/zinc/02/75/97/504027597.db2.gz HWQDGNZBWKIYIW-ZWKOTPCHSA-N 2 1 366.937 3.115 20 0 FGADMP CCN1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541175963 504031951 /nfs/dbraw/zinc/03/19/51/504031951.db2.gz MEMCZBYDKAPRBW-HKUYNNGSSA-N 2 1 355.448 3.313 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547281519 504046870 /nfs/dbraw/zinc/04/68/70/504046870.db2.gz BWPMGYXGUXZLEQ-KPZWWZAWSA-N 2 1 365.930 3.489 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547281519 504046872 /nfs/dbraw/zinc/04/68/72/504046872.db2.gz BWPMGYXGUXZLEQ-KPZWWZAWSA-N 2 1 365.930 3.489 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000518723664 504049723 /nfs/dbraw/zinc/04/97/23/504049723.db2.gz KLXLKBCDYHBFOO-LJQANCHMSA-N 2 1 352.567 3.253 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784205 504063105 /nfs/dbraw/zinc/06/31/05/504063105.db2.gz URRHRNFUGUJJTF-KNQAVFIVSA-N 2 1 372.553 3.320 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000547367969 504079113 /nfs/dbraw/zinc/07/91/13/504079113.db2.gz YFTAGQFMSWSJDJ-ROUUACIJSA-N 2 1 371.525 3.163 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000547387774 504087605 /nfs/dbraw/zinc/08/76/05/504087605.db2.gz ZBYXPXDAJPVTEA-SFTDATJTSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000547387774 504087609 /nfs/dbraw/zinc/08/76/09/504087609.db2.gz ZBYXPXDAJPVTEA-SFTDATJTSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000547387774 504087614 /nfs/dbraw/zinc/08/76/14/504087614.db2.gz ZBYXPXDAJPVTEA-SFTDATJTSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840630 504104072 /nfs/dbraw/zinc/10/40/72/504104072.db2.gz BHUCVKBVCFMMSE-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000518969658 504106355 /nfs/dbraw/zinc/10/63/55/504106355.db2.gz MOYPAFXISQIESO-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969658 504106357 /nfs/dbraw/zinc/10/63/57/504106357.db2.gz MOYPAFXISQIESO-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969658 504106360 /nfs/dbraw/zinc/10/63/60/504106360.db2.gz MOYPAFXISQIESO-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000519011594 504118212 /nfs/dbraw/zinc/11/82/12/504118212.db2.gz BGRIKJQUWCVQAI-OAQYLSRUSA-N 2 1 351.494 3.029 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544419706 504125746 /nfs/dbraw/zinc/12/57/46/504125746.db2.gz KBUSGLRJEARAOP-NQIIRXRSSA-N 2 1 371.569 3.450 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419706 504125756 /nfs/dbraw/zinc/12/57/56/504125756.db2.gz KBUSGLRJEARAOP-NQIIRXRSSA-N 2 1 371.569 3.450 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000519172656 504156140 /nfs/dbraw/zinc/15/61/40/504156140.db2.gz JWUIQXKRBUPLBE-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@H]1CCOC1 ZINC000538198250 504159203 /nfs/dbraw/zinc/15/92/03/504159203.db2.gz VVLFXHVFVJGOQE-HDAAZOAOSA-N 2 1 360.542 3.210 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000538216927 504165504 /nfs/dbraw/zinc/16/55/04/504165504.db2.gz WKDPVXOTJOPWSB-VXKWHMMOSA-N 2 1 354.469 3.430 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000538216927 504165509 /nfs/dbraw/zinc/16/55/09/504165509.db2.gz WKDPVXOTJOPWSB-VXKWHMMOSA-N 2 1 354.469 3.430 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2cccnc12 ZINC000541536716 504169720 /nfs/dbraw/zinc/16/97/20/504169720.db2.gz JJTIIAJFUZQRDC-WIYYLYMNSA-N 2 1 352.526 3.001 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000519356824 504201062 /nfs/dbraw/zinc/20/10/62/504201062.db2.gz XEBSXIABUMKZFM-HMXCVIKNSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000519382361 504208300 /nfs/dbraw/zinc/20/83/00/504208300.db2.gz XUCHZYVWWFQULJ-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191188 504221969 /nfs/dbraw/zinc/22/19/69/504221969.db2.gz DGXZTBQTHSRZQY-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191188 504221975 /nfs/dbraw/zinc/22/19/75/504221975.db2.gz DGXZTBQTHSRZQY-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531191188 504221981 /nfs/dbraw/zinc/22/19/81/504221981.db2.gz DGXZTBQTHSRZQY-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787244 504224961 /nfs/dbraw/zinc/22/49/61/504224961.db2.gz RGBZATISTNPKFX-FGZHOGPDSA-N 2 1 365.521 3.203 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700667 504225011 /nfs/dbraw/zinc/22/50/11/504225011.db2.gz DAAZRNQNDPAMRD-ICSRJNTNSA-N 2 1 365.525 3.211 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700667 504225017 /nfs/dbraw/zinc/22/50/17/504225017.db2.gz DAAZRNQNDPAMRD-ICSRJNTNSA-N 2 1 365.525 3.211 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528461023 504233964 /nfs/dbraw/zinc/23/39/64/504233964.db2.gz ZOHZPMPQHBNOSX-GDBMZVCRSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528461023 504233970 /nfs/dbraw/zinc/23/39/70/504233970.db2.gz ZOHZPMPQHBNOSX-GDBMZVCRSA-N 2 1 359.436 3.327 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800315 504258710 /nfs/dbraw/zinc/25/87/10/504258710.db2.gz WUPGOEHIUKIQBD-GCJKJVERSA-N 2 1 365.521 3.105 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000531343702 504274277 /nfs/dbraw/zinc/27/42/77/504274277.db2.gz XLPBCNUGQXRIRQ-INIZCTEOSA-N 2 1 368.905 3.044 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000531343702 504274280 /nfs/dbraw/zinc/27/42/80/504274280.db2.gz XLPBCNUGQXRIRQ-INIZCTEOSA-N 2 1 368.905 3.044 20 0 FGADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654289 504290539 /nfs/dbraw/zinc/29/05/39/504290539.db2.gz REWFKCXRMZLGSU-HKUYNNGSSA-N 2 1 351.494 3.045 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000538685333 504327441 /nfs/dbraw/zinc/32/74/41/504327441.db2.gz WOUOKEVLQYNBGU-UHFFFAOYSA-N 2 1 358.530 3.067 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000538752153 504358012 /nfs/dbraw/zinc/35/80/12/504358012.db2.gz MDPJKDYVRKYVRH-FQEVSTJZSA-N 2 1 370.497 3.202 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000538773416 504364933 /nfs/dbraw/zinc/36/49/33/504364933.db2.gz NHBHLQSLMRKFQK-HXUWFJFHSA-N 2 1 372.557 3.424 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000548297097 504389569 /nfs/dbraw/zinc/38/95/69/504389569.db2.gz JFILBPXSAHFYQC-INIZCTEOSA-N 2 1 366.431 3.382 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000548297097 504389576 /nfs/dbraw/zinc/38/95/76/504389576.db2.gz JFILBPXSAHFYQC-INIZCTEOSA-N 2 1 366.431 3.382 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725009 504404734 /nfs/dbraw/zinc/40/47/34/504404734.db2.gz SOWNBKZHRXKNEW-XJKCOSOUSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725009 504404741 /nfs/dbraw/zinc/40/47/41/504404741.db2.gz SOWNBKZHRXKNEW-XJKCOSOUSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725048 504405297 /nfs/dbraw/zinc/40/52/97/504405297.db2.gz GWSGCHGSHNBEDG-MGPQQGTHSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725048 504405299 /nfs/dbraw/zinc/40/52/99/504405299.db2.gz GWSGCHGSHNBEDG-MGPQQGTHSA-N 2 1 357.420 3.495 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1)CC(C)C ZINC000542252325 504423610 /nfs/dbraw/zinc/42/36/10/504423610.db2.gz CWJGIEVQBPKPJY-INIZCTEOSA-N 2 1 352.523 3.357 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1)CC(C)C ZINC000542252325 504423615 /nfs/dbraw/zinc/42/36/15/504423615.db2.gz CWJGIEVQBPKPJY-INIZCTEOSA-N 2 1 352.523 3.357 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178249 504427731 /nfs/dbraw/zinc/42/77/31/504427731.db2.gz WTDLZVWEZHXCTQ-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520178249 504427734 /nfs/dbraw/zinc/42/77/34/504427734.db2.gz WTDLZVWEZHXCTQ-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000520178249 504427739 /nfs/dbraw/zinc/42/77/39/504427739.db2.gz WTDLZVWEZHXCTQ-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545305711 504436882 /nfs/dbraw/zinc/43/68/82/504436882.db2.gz PHDRZGHYUZLFFJ-OAQYLSRUSA-N 2 1 368.525 3.181 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242381 504444334 /nfs/dbraw/zinc/44/43/34/504444334.db2.gz LDBWXVXNMDBQRJ-MJGOQNOKSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520242381 504444338 /nfs/dbraw/zinc/44/43/38/504444338.db2.gz LDBWXVXNMDBQRJ-MJGOQNOKSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520242381 504444341 /nfs/dbraw/zinc/44/43/41/504444341.db2.gz LDBWXVXNMDBQRJ-MJGOQNOKSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000520301694 504459361 /nfs/dbraw/zinc/45/93/61/504459361.db2.gz QURNICZUOXWTSS-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069945 504463278 /nfs/dbraw/zinc/46/32/78/504463278.db2.gz AXBIKQKOVWSFOG-GCJKJVERSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000545377819 504466424 /nfs/dbraw/zinc/46/64/24/504466424.db2.gz JNHVVHCKLBEFPO-KRWDZBQOSA-N 2 1 366.509 3.310 20 0 FGADMP CC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCOCC1 ZINC000531940003 504482050 /nfs/dbraw/zinc/48/20/50/504482050.db2.gz LITBUYRIUFECNS-FCHUYYIVSA-N 2 1 359.558 3.160 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378585 504483209 /nfs/dbraw/zinc/48/32/09/504483209.db2.gz JRPRCORTCBCAJY-WOJBJXKFSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000520378585 504483214 /nfs/dbraw/zinc/48/32/14/504483214.db2.gz JRPRCORTCBCAJY-WOJBJXKFSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000520378585 504483220 /nfs/dbraw/zinc/48/32/20/504483220.db2.gz JRPRCORTCBCAJY-WOJBJXKFSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@@H](C)O1 ZINC000539148221 504488041 /nfs/dbraw/zinc/48/80/41/504488041.db2.gz VTOIGCLWRNRRQO-WOPDUGCTSA-N 2 1 358.526 3.290 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200340 504496576 /nfs/dbraw/zinc/49/65/76/504496576.db2.gz FQHGIUBUGQGDIK-QUCCMNQESA-N 2 1 361.505 3.234 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657654 504497057 /nfs/dbraw/zinc/49/70/57/504497057.db2.gz DFAJHIYXWOEBRG-KSZLIROESA-N 2 1 351.922 3.322 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657654 504497062 /nfs/dbraw/zinc/49/70/62/504497062.db2.gz DFAJHIYXWOEBRG-KSZLIROESA-N 2 1 351.922 3.322 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000531995371 504498386 /nfs/dbraw/zinc/49/83/86/504498386.db2.gz UGABKDQCMHELLM-MTNREXPMSA-N 2 1 368.525 3.475 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000542495356 504513726 /nfs/dbraw/zinc/51/37/26/504513726.db2.gz VJVRPUHRVPFFLH-JTHBVZDNSA-N 2 1 373.585 3.326 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000542495356 504513731 /nfs/dbraw/zinc/51/37/31/504513731.db2.gz VJVRPUHRVPFFLH-JTHBVZDNSA-N 2 1 373.585 3.326 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C12CCC[NH+]1CCC2 ZINC000548738774 504547212 /nfs/dbraw/zinc/54/72/12/504547212.db2.gz OSNOFTIVAWPNAQ-GOSISDBHSA-N 2 1 361.917 3.222 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000520756148 504575150 /nfs/dbraw/zinc/57/51/50/504575150.db2.gz FCUMQOPHXSNHJR-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000532224543 504578655 /nfs/dbraw/zinc/57/86/55/504578655.db2.gz LERMQLYTIREVEL-JXFKEZNVSA-N 2 1 352.494 3.199 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CCCC2)CC1 ZINC000539495512 504590858 /nfs/dbraw/zinc/59/08/58/504590858.db2.gz VEQVDRMADNDTFK-IPMKNSEASA-N 2 1 350.547 3.203 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C12CCCC2 ZINC000539499797 504591235 /nfs/dbraw/zinc/59/12/35/504591235.db2.gz KLGFHNVYWLPIJD-NHCUHLMSSA-N 2 1 358.526 3.346 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000520892998 504604662 /nfs/dbraw/zinc/60/46/62/504604662.db2.gz NBSQOIMSZIALCA-AMEVOLBXSA-N 2 1 372.553 3.380 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC000520931419 504612128 /nfs/dbraw/zinc/61/21/28/504612128.db2.gz DKCWMXAZHYHFDK-QGZVFWFLSA-N 2 1 351.466 3.105 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290643 504621641 /nfs/dbraw/zinc/62/16/41/504621641.db2.gz UJBRJIVYRJXHGC-FXAWDEMLSA-N 2 1 370.541 3.002 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139644 504659083 /nfs/dbraw/zinc/65/90/83/504659083.db2.gz HZTXNLUZSXPVQV-YOUFYPILSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000521139644 504659087 /nfs/dbraw/zinc/65/90/87/504659087.db2.gz HZTXNLUZSXPVQV-YOUFYPILSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000521139644 504659093 /nfs/dbraw/zinc/65/90/93/504659093.db2.gz HZTXNLUZSXPVQV-YOUFYPILSA-N 2 1 357.542 3.134 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536200720 504663571 /nfs/dbraw/zinc/66/35/71/504663571.db2.gz JTIDMQJDKNXPBJ-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000536200720 504663576 /nfs/dbraw/zinc/66/35/76/504663576.db2.gz JTIDMQJDKNXPBJ-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505490 504673768 /nfs/dbraw/zinc/67/37/68/504673768.db2.gz DKIJRVVVFHDJAL-STQMWFEESA-N 2 1 361.349 3.398 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3cccc(C)n23)CC1 ZINC000539852807 504718652 /nfs/dbraw/zinc/71/86/52/504718652.db2.gz SNHCPDFMGSWUPE-UHFFFAOYSA-N 2 1 358.530 3.213 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1)CC1CC1 ZINC000540012193 504759040 /nfs/dbraw/zinc/75/90/40/504759040.db2.gz GABHVFLTPFYHKU-UHFFFAOYSA-N 2 1 364.578 3.016 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050345 504787413 /nfs/dbraw/zinc/78/74/13/504787413.db2.gz CHYSSPXBEWYEBI-VSKRKVRLSA-N 2 1 359.558 3.158 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050345 504787417 /nfs/dbraw/zinc/78/74/17/504787417.db2.gz CHYSSPXBEWYEBI-VSKRKVRLSA-N 2 1 359.558 3.158 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1 ZINC000552981211 504797713 /nfs/dbraw/zinc/79/77/13/504797713.db2.gz HCLJUJCXLHBDHW-FXAWDEMLSA-N 2 1 366.509 3.136 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556117687 504799563 /nfs/dbraw/zinc/79/95/63/504799563.db2.gz FMQMQHAVHZDAQZ-DENIHFKCSA-N 2 1 367.493 3.449 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556117687 504799567 /nfs/dbraw/zinc/79/95/67/504799567.db2.gz FMQMQHAVHZDAQZ-DENIHFKCSA-N 2 1 367.493 3.449 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311268 504829116 /nfs/dbraw/zinc/82/91/16/504829116.db2.gz IFFZXZQMJWIHOX-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311268 504829120 /nfs/dbraw/zinc/82/91/20/504829120.db2.gz IFFZXZQMJWIHOX-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311268 504829123 /nfs/dbraw/zinc/82/91/23/504829123.db2.gz IFFZXZQMJWIHOX-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311268 504829126 /nfs/dbraw/zinc/82/91/26/504829126.db2.gz IFFZXZQMJWIHOX-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472592 504831884 /nfs/dbraw/zinc/83/18/84/504831884.db2.gz SRALUNYUWBLFHD-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)C[NH+]1CCCC1 ZINC000549523471 504841710 /nfs/dbraw/zinc/84/17/10/504841710.db2.gz ULAMKGICCROHGU-SJLPKXTDSA-N 2 1 367.331 3.263 20 0 FGADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000559628950 504900034 /nfs/dbraw/zinc/90/00/34/504900034.db2.gz OKVPSSWFOXLSHY-MRXNPFEDSA-N 2 1 363.465 3.375 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742850 504921420 /nfs/dbraw/zinc/92/14/20/504921420.db2.gz GQLYLJCLAMNTAR-CZAYHTPWSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742850 504921421 /nfs/dbraw/zinc/92/14/21/504921421.db2.gz GQLYLJCLAMNTAR-CZAYHTPWSA-N 3 1 359.558 3.301 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000553492679 504931305 /nfs/dbraw/zinc/93/13/05/504931305.db2.gz GXPZZGKDLYSTGU-PGRDOPGGSA-N 2 1 369.553 3.402 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772911 504940850 /nfs/dbraw/zinc/94/08/50/504940850.db2.gz FLHZDEPHAIEGPG-HXUWFJFHSA-N 2 1 356.514 3.456 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC000556762268 504966323 /nfs/dbraw/zinc/96/63/23/504966323.db2.gz WCCMJAUSMGQFKA-LJQANCHMSA-N 2 1 353.466 3.107 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1cccc2ccccc21 ZINC000556762268 504966325 /nfs/dbraw/zinc/96/63/25/504966325.db2.gz WCCMJAUSMGQFKA-LJQANCHMSA-N 2 1 353.466 3.107 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cscc1C(F)(F)F ZINC000562905696 504982479 /nfs/dbraw/zinc/98/24/79/504982479.db2.gz URCJZWFOVRKLJM-UHFFFAOYSA-N 2 1 359.417 3.392 20 0 FGADMP CC(C)[C@@]1(CO)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000556958338 505031187 /nfs/dbraw/zinc/03/11/87/505031187.db2.gz CYUSTIHVCAVFPV-QHCPKHFHSA-N 2 1 373.585 3.448 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000565982615 505045301 /nfs/dbraw/zinc/04/53/01/505045301.db2.gz CCXOVOSCEUGFEE-AZUAARDMSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000565982615 505045306 /nfs/dbraw/zinc/04/53/06/505045306.db2.gz CCXOVOSCEUGFEE-AZUAARDMSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000565982615 505045309 /nfs/dbraw/zinc/04/53/09/505045309.db2.gz CCXOVOSCEUGFEE-AZUAARDMSA-N 2 1 374.573 3.315 20 0 FGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)c2ccccc21 ZINC000566104060 505081979 /nfs/dbraw/zinc/08/19/79/505081979.db2.gz YTOYMQHKSHEVIB-ZDUSSCGKSA-N 2 1 353.445 3.415 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1cccs1 ZINC000550665143 505082244 /nfs/dbraw/zinc/08/22/44/505082244.db2.gz DVPQKVSIINVRHI-KSSFIOAISA-N 2 1 354.479 3.209 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336483 505109307 /nfs/dbraw/zinc/10/93/07/505109307.db2.gz TYQJUSSDMXRGGT-OALUTQOASA-N 2 1 358.530 3.218 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000566244374 505121971 /nfs/dbraw/zinc/12/19/71/505121971.db2.gz UWRPCEAHAMJTFC-BAGYTPMASA-N 2 1 363.505 3.279 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000566244374 505121975 /nfs/dbraw/zinc/12/19/75/505121975.db2.gz UWRPCEAHAMJTFC-BAGYTPMASA-N 2 1 363.505 3.279 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551070111 505152310 /nfs/dbraw/zinc/15/23/10/505152310.db2.gz TXYYTGWGJBVSOE-SBHAEUEKSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551070111 505152314 /nfs/dbraw/zinc/15/23/14/505152314.db2.gz TXYYTGWGJBVSOE-SBHAEUEKSA-N 2 1 351.579 3.071 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4ccccc4n(C)c3=O)C2)CC1 ZINC000566419073 505170539 /nfs/dbraw/zinc/17/05/39/505170539.db2.gz PEBZNWGKVOPOOO-IBGZPJMESA-N 2 1 367.537 3.482 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4n(C)c3=O)C2)CC1 ZINC000566419073 505170544 /nfs/dbraw/zinc/17/05/44/505170544.db2.gz PEBZNWGKVOPOOO-IBGZPJMESA-N 2 1 367.537 3.482 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577161 505172820 /nfs/dbraw/zinc/17/28/20/505172820.db2.gz RWJIDSAPMPUKGL-PMACEKPBSA-N 2 1 369.509 3.301 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccccc4C[C@@H]3C)CC2)CC1 ZINC000566445100 505178801 /nfs/dbraw/zinc/17/88/01/505178801.db2.gz NQAJKVKHPJJBRC-SFHVURJKSA-N 2 1 369.553 3.156 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459990 505182261 /nfs/dbraw/zinc/18/22/61/505182261.db2.gz NNRWPPMFBFXETR-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459990 505182265 /nfs/dbraw/zinc/18/22/65/505182265.db2.gz NNRWPPMFBFXETR-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP CC1(C)CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459990 505182270 /nfs/dbraw/zinc/18/22/70/505182270.db2.gz NNRWPPMFBFXETR-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)C[C@H](C)O1 ZINC000551387142 505215552 /nfs/dbraw/zinc/21/55/52/505215552.db2.gz STEFCTGQBXSERJ-GASCZTMLSA-N 2 1 371.447 3.422 20 0 FGADMP C[C@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676523 505241509 /nfs/dbraw/zinc/24/15/09/505241509.db2.gz RCUWVGWUYDSETP-OALUTQOASA-N 2 1 350.547 3.444 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727237 505256758 /nfs/dbraw/zinc/25/67/58/505256758.db2.gz DCSWLSWQYNSEKT-HLNWXESRSA-N 2 1 372.557 3.043 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000566741217 505260677 /nfs/dbraw/zinc/26/06/77/505260677.db2.gz UJSCUMHFLLOKRX-DENIHFKCSA-N 2 1 367.537 3.334 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952123 505286704 /nfs/dbraw/zinc/28/67/04/505286704.db2.gz BRRUSHLHSPJRIH-ZPMCFJSWSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952123 505286708 /nfs/dbraw/zinc/28/67/08/505286708.db2.gz BRRUSHLHSPJRIH-ZPMCFJSWSA-N 2 1 356.485 3.372 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F)CC[NH+](C)C ZINC000554889458 505291787 /nfs/dbraw/zinc/29/17/87/505291787.db2.gz OIZPYYGZSRTBML-UHFFFAOYSA-N 2 1 358.505 3.203 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000564005410 505299885 /nfs/dbraw/zinc/29/98/85/505299885.db2.gz FVJSPZITPONWGX-OAQYLSRUSA-N 2 1 372.557 3.159 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000564005410 505299891 /nfs/dbraw/zinc/29/98/91/505299891.db2.gz FVJSPZITPONWGX-OAQYLSRUSA-N 2 1 372.557 3.159 20 0 FGADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000551842532 505324341 /nfs/dbraw/zinc/32/43/41/505324341.db2.gz JSHBCMFGHIWCTL-CQSZACIVSA-N 2 1 370.324 3.026 20 0 FGADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000551842532 505324344 /nfs/dbraw/zinc/32/43/44/505324344.db2.gz JSHBCMFGHIWCTL-CQSZACIVSA-N 2 1 370.324 3.026 20 0 FGADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000555148555 505363853 /nfs/dbraw/zinc/36/38/53/505363853.db2.gz MMDBMPWTVPFCPG-IBGZPJMESA-N 2 1 373.545 3.054 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000555148555 505363859 /nfs/dbraw/zinc/36/38/59/505363859.db2.gz MMDBMPWTVPFCPG-IBGZPJMESA-N 2 1 373.545 3.054 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000551988393 505364353 /nfs/dbraw/zinc/36/43/53/505364353.db2.gz TZDGPJYFQYIYCH-BPQIPLTHSA-N 2 1 368.481 3.152 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552043959 505380449 /nfs/dbraw/zinc/38/04/49/505380449.db2.gz IERNONIFXQDNEQ-QYZOEREBSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552043959 505380452 /nfs/dbraw/zinc/38/04/52/505380452.db2.gz IERNONIFXQDNEQ-QYZOEREBSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H]2CCC[C@@H]21 ZINC000552043959 505380457 /nfs/dbraw/zinc/38/04/57/505380457.db2.gz IERNONIFXQDNEQ-QYZOEREBSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000552244948 505439610 /nfs/dbraw/zinc/43/96/10/505439610.db2.gz OCVLGVUCIWIDAZ-RFZJPIJTSA-N 2 1 363.496 3.392 20 0 FGADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552250876 505441634 /nfs/dbraw/zinc/44/16/34/505441634.db2.gz DHWGHFHNDAPSNQ-WBADGQHESA-N 2 1 374.569 3.300 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000564529433 505443184 /nfs/dbraw/zinc/44/31/84/505443184.db2.gz PKISDSKPRSEDJD-SFHVURJKSA-N 2 1 353.913 3.122 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H]2CCC[C@H]21 ZINC000552285707 505450927 /nfs/dbraw/zinc/45/09/27/505450927.db2.gz ZKFTWURATKVPPT-YESZJQIVSA-N 2 1 365.315 3.346 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546560 505494464 /nfs/dbraw/zinc/49/44/64/505494464.db2.gz VJWQICRNKUCMBX-PKOBYXMFSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546560 505494470 /nfs/dbraw/zinc/49/44/70/505494470.db2.gz VJWQICRNKUCMBX-PKOBYXMFSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546560 505494475 /nfs/dbraw/zinc/49/44/75/505494475.db2.gz VJWQICRNKUCMBX-PKOBYXMFSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546560 505494481 /nfs/dbraw/zinc/49/44/81/505494481.db2.gz VJWQICRNKUCMBX-PKOBYXMFSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567608922 505512977 /nfs/dbraw/zinc/51/29/77/505512977.db2.gz URWIDIHDQSROQN-RTWAWAEBSA-N 2 1 357.542 3.455 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)nc1 ZINC000555832262 505522892 /nfs/dbraw/zinc/52/28/92/505522892.db2.gz BCHDOIRLQKZAFF-UHFFFAOYSA-N 2 1 367.497 3.131 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000562138645 505526946 /nfs/dbraw/zinc/52/69/46/505526946.db2.gz FFWMZPJBPZWXKP-BJLQDIEVSA-N 2 1 360.546 3.016 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000562237975 505547817 /nfs/dbraw/zinc/54/78/17/505547817.db2.gz UVLSNDGEVIJROR-LJQANCHMSA-N 2 1 374.573 3.113 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000589208509 506484904 /nfs/dbraw/zinc/48/49/04/506484904.db2.gz AQNXATKEUJAHMY-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510645 506595226 /nfs/dbraw/zinc/59/52/26/506595226.db2.gz KBGDTSQACCYHDL-WOJBJXKFSA-N 2 1 352.478 3.280 20 0 FGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510645 506595228 /nfs/dbraw/zinc/59/52/28/506595228.db2.gz KBGDTSQACCYHDL-WOJBJXKFSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510645 506595230 /nfs/dbraw/zinc/59/52/30/506595230.db2.gz KBGDTSQACCYHDL-WOJBJXKFSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510645 506595231 /nfs/dbraw/zinc/59/52/31/506595231.db2.gz KBGDTSQACCYHDL-WOJBJXKFSA-N 2 1 352.478 3.280 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000583123508 506601853 /nfs/dbraw/zinc/60/18/53/506601853.db2.gz BHANPXHCHAFFGJ-LEWJYISDSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634591 506641243 /nfs/dbraw/zinc/64/12/43/506641243.db2.gz QENDFSIMLWAROU-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634591 506641245 /nfs/dbraw/zinc/64/12/45/506641245.db2.gz QENDFSIMLWAROU-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204492 506647886 /nfs/dbraw/zinc/64/78/86/506647886.db2.gz XANUUAILDWTIQL-QZTJIDSGSA-N 2 1 370.497 3.087 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204492 506647892 /nfs/dbraw/zinc/64/78/92/506647892.db2.gz XANUUAILDWTIQL-QZTJIDSGSA-N 2 1 370.497 3.087 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112286 506718360 /nfs/dbraw/zinc/71/83/60/506718360.db2.gz SMQCXFBCEHBARD-PZJWPPBQSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092937 506772856 /nfs/dbraw/zinc/77/28/56/506772856.db2.gz SGXDGJYPJCYSOD-RTBURBONSA-N 2 1 359.558 3.176 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491480 506808345 /nfs/dbraw/zinc/80/83/45/506808345.db2.gz YWSKTVTVJDTPMV-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491480 506808352 /nfs/dbraw/zinc/80/83/52/506808352.db2.gz YWSKTVTVJDTPMV-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491480 506808359 /nfs/dbraw/zinc/80/83/59/506808359.db2.gz YWSKTVTVJDTPMV-FYYLOGMGSA-N 2 1 369.553 3.374 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727782 506920234 /nfs/dbraw/zinc/92/02/34/506920234.db2.gz KMNNISKDQATGCJ-UXHICEINSA-N 2 1 359.558 3.381 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000594099583 506938801 /nfs/dbraw/zinc/93/88/01/506938801.db2.gz INGDZCBMYMBNNV-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863987 506968351 /nfs/dbraw/zinc/96/83/51/506968351.db2.gz RBXKLRHVNJVNTJ-SFHVURJKSA-N 2 1 370.541 3.273 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000583920678 507050607 /nfs/dbraw/zinc/05/06/07/507050607.db2.gz XNUZMVHHNUEFTQ-WSTZPKSXSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000591083674 507105355 /nfs/dbraw/zinc/10/53/55/507105355.db2.gz ZCWAOVJXAPCCIL-GMAHTHKFSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000591083674 507105365 /nfs/dbraw/zinc/10/53/65/507105365.db2.gz ZCWAOVJXAPCCIL-GMAHTHKFSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000600831713 507141791 /nfs/dbraw/zinc/14/17/91/507141791.db2.gz AJNHYPRJCLZXFF-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000591178803 507144762 /nfs/dbraw/zinc/14/47/62/507144762.db2.gz RVUVHAAZEAQGTA-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000591178803 507144768 /nfs/dbraw/zinc/14/47/68/507144768.db2.gz RVUVHAAZEAQGTA-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000591178803 507144777 /nfs/dbraw/zinc/14/47/77/507144777.db2.gz RVUVHAAZEAQGTA-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000584113989 507160551 /nfs/dbraw/zinc/16/05/51/507160551.db2.gz VGPIFOBSRIMLIW-BHYGNILZSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000584113989 507160555 /nfs/dbraw/zinc/16/05/55/507160555.db2.gz VGPIFOBSRIMLIW-BHYGNILZSA-N 2 1 373.522 3.387 20 0 FGADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000605374242 507164250 /nfs/dbraw/zinc/16/42/50/507164250.db2.gz SQXAHKKCIFZTBS-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP O=C(CCN[C@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167501 507190341 /nfs/dbraw/zinc/19/03/41/507190341.db2.gz OQTFAGJXRWMFMX-HOTGVXAUSA-N 2 1 355.404 3.250 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167501 507190351 /nfs/dbraw/zinc/19/03/51/507190351.db2.gz OQTFAGJXRWMFMX-HOTGVXAUSA-N 2 1 355.404 3.250 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591427787 507245996 /nfs/dbraw/zinc/24/59/96/507245996.db2.gz PCONYDHQDYMUQB-IBGZPJMESA-N 2 1 373.541 3.106 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591427787 507246002 /nfs/dbraw/zinc/24/60/02/507246002.db2.gz PCONYDHQDYMUQB-IBGZPJMESA-N 2 1 373.541 3.106 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000591437388 507249548 /nfs/dbraw/zinc/24/95/48/507249548.db2.gz GXQSUIBFUASFED-QAPCUYQASA-N 2 1 353.466 3.217 20 0 FGADMP CCC[NH+]1CCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000591447126 507254067 /nfs/dbraw/zinc/25/40/67/507254067.db2.gz FDQJHFRWIMCPEY-IBGZPJMESA-N 2 1 373.541 3.108 20 0 FGADMP CCC[NH+]1CCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591447126 507254072 /nfs/dbraw/zinc/25/40/72/507254072.db2.gz FDQJHFRWIMCPEY-IBGZPJMESA-N 2 1 373.541 3.108 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591456242 507256561 /nfs/dbraw/zinc/25/65/61/507256561.db2.gz HFAOZPCVWRWKQF-QZTJIDSGSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000591456242 507256568 /nfs/dbraw/zinc/25/65/68/507256568.db2.gz HFAOZPCVWRWKQF-QZTJIDSGSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000591456242 507256575 /nfs/dbraw/zinc/25/65/75/507256575.db2.gz HFAOZPCVWRWKQF-QZTJIDSGSA-N 2 1 373.541 3.152 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613880136 507287431 /nfs/dbraw/zinc/28/74/31/507287431.db2.gz KERGXKJZJBLLEQ-UHFFFAOYSA-N 2 1 368.525 3.104 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613880136 507287436 /nfs/dbraw/zinc/28/74/36/507287436.db2.gz KERGXKJZJBLLEQ-UHFFFAOYSA-N 2 1 368.525 3.104 20 0 FGADMP C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000605887830 507297433 /nfs/dbraw/zinc/29/74/33/507297433.db2.gz SNQCYQWIOZTPNA-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000605887830 507297439 /nfs/dbraw/zinc/29/74/39/507297439.db2.gz SNQCYQWIOZTPNA-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000605887830 507297447 /nfs/dbraw/zinc/29/74/47/507297447.db2.gz SNQCYQWIOZTPNA-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000605887830 507297452 /nfs/dbraw/zinc/29/74/52/507297452.db2.gz SNQCYQWIOZTPNA-AQNXPRMDSA-N 2 1 372.557 3.023 20 0 FGADMP Ic1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000594993440 507344846 /nfs/dbraw/zinc/34/48/46/507344846.db2.gz GJYIBLVTSSZGTK-HZPDHXFCSA-N 2 1 370.278 3.050 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000595059568 507371983 /nfs/dbraw/zinc/37/19/83/507371983.db2.gz IXEWIAVAXZCOMG-DQBUSCJJSA-N 2 1 360.567 3.461 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000595059568 507371992 /nfs/dbraw/zinc/37/19/92/507371992.db2.gz IXEWIAVAXZCOMG-DQBUSCJJSA-N 2 1 360.567 3.461 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+](C)CC1 ZINC000584559563 507410014 /nfs/dbraw/zinc/41/00/14/507410014.db2.gz WUCYGKZMVCHUOG-PCCBWWKXSA-N 3 1 373.610 3.314 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000606640228 507463065 /nfs/dbraw/zinc/46/30/65/507463065.db2.gz NMWRGSKWCZCLRJ-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606640406 507463369 /nfs/dbraw/zinc/46/33/69/507463369.db2.gz XVNFQAZEKNRLRP-IBGZPJMESA-N 2 1 364.578 3.301 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606640406 507463372 /nfs/dbraw/zinc/46/33/72/507463372.db2.gz XVNFQAZEKNRLRP-IBGZPJMESA-N 2 1 364.578 3.301 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606640406 507463374 /nfs/dbraw/zinc/46/33/74/507463374.db2.gz XVNFQAZEKNRLRP-IBGZPJMESA-N 2 1 364.578 3.301 20 0 FGADMP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660223 507472218 /nfs/dbraw/zinc/47/22/18/507472218.db2.gz YEPXZIVGPJFHGM-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684806 507479289 /nfs/dbraw/zinc/47/92/89/507479289.db2.gz OKFOFKLBMVPMGH-PXNSSMCTSA-N 2 1 364.578 3.061 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000584853593 507541103 /nfs/dbraw/zinc/54/11/03/507541103.db2.gz IGUPUYXXLYYJNY-WMZOPIPTSA-N 2 1 373.522 3.287 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000584853593 507541110 /nfs/dbraw/zinc/54/11/10/507541110.db2.gz IGUPUYXXLYYJNY-WMZOPIPTSA-N 2 1 373.522 3.287 20 0 FGADMP COC(=O)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000611274467 507598957 /nfs/dbraw/zinc/59/89/57/507598957.db2.gz HYZMVMGNWQBJED-UHFFFAOYSA-N 2 1 360.498 3.079 20 0 FGADMP COC(=O)C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCCC1 ZINC000611274467 507598963 /nfs/dbraw/zinc/59/89/63/507598963.db2.gz HYZMVMGNWQBJED-UHFFFAOYSA-N 2 1 360.498 3.079 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000614716124 507631867 /nfs/dbraw/zinc/63/18/67/507631867.db2.gz HFBVTHYOXABNNK-UHFFFAOYSA-N 2 1 368.525 3.104 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614726069 507636885 /nfs/dbraw/zinc/63/68/85/507636885.db2.gz WHKRLBQUGSNOLT-FCEUIQTBSA-N 2 1 369.553 3.026 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000607227762 507659174 /nfs/dbraw/zinc/65/91/74/507659174.db2.gz NIHCVAGVAMLUDW-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000607231426 507662582 /nfs/dbraw/zinc/66/25/82/507662582.db2.gz RXGLVBMWJRBLCR-UXHICEINSA-N 2 1 372.557 3.167 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)on1 ZINC000602524223 507736933 /nfs/dbraw/zinc/73/69/33/507736933.db2.gz LNNQRHNEFDOLAN-UHFFFAOYSA-N 2 1 357.454 3.127 20 0 FGADMP CCCC[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C(=O)Nc1cc(C)on1 ZINC000479498855 514607551 /nfs/dbraw/zinc/60/75/51/514607551.db2.gz GKEGXLADICWXKL-INIZCTEOSA-N 2 1 350.507 3.192 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662393 516708585 /nfs/dbraw/zinc/70/85/85/516708585.db2.gz VDCFAZCNGKFTBE-ACRUOGEOSA-N 2 1 365.525 3.169 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000643228247 568026832 /nfs/dbraw/zinc/02/68/32/568026832.db2.gz XNEYHUTXWDIVIA-QNGMFEMESA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)c1 ZINC000820112330 606412559 /nfs/dbraw/zinc/41/25/59/606412559.db2.gz RLNXEHQKBBJODF-UHFFFAOYSA-N 2 1 356.499 3.058 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000824894560 608362528 /nfs/dbraw/zinc/36/25/28/608362528.db2.gz YSWBLWYELVFXLT-CRAIPNDOSA-N 2 1 362.481 3.106 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948690 609133569 /nfs/dbraw/zinc/13/35/69/609133569.db2.gz UYJGLIFVQCKIIZ-CABCVRRESA-N 2 1 360.481 3.169 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(Br)cc1Cl)C1CCC([NH3+])CC1 ZINC000098002019 700464310 /nfs/dbraw/zinc/46/43/10/700464310.db2.gz FAIXGVBOSSCRRF-UHFFFAOYSA-N 2 1 374.710 3.243 20 0 FGADMP CCN(CC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000124827383 700725411 /nfs/dbraw/zinc/72/54/11/700725411.db2.gz PVMRHUCXSDSFLK-SFHVURJKSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401535 704961523 /nfs/dbraw/zinc/96/15/23/704961523.db2.gz PHDURXYTUYYTMG-HOTGVXAUSA-N 2 1 363.933 3.312 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401535 704961526 /nfs/dbraw/zinc/96/15/26/704961526.db2.gz PHDURXYTUYYTMG-HOTGVXAUSA-N 2 1 363.933 3.312 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000154922590 705055029 /nfs/dbraw/zinc/05/50/29/705055029.db2.gz RPUVMKNRUJKASC-QGZVFWFLSA-N 2 1 355.320 3.289 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000154922590 705055038 /nfs/dbraw/zinc/05/50/38/705055038.db2.gz RPUVMKNRUJKASC-QGZVFWFLSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000173955362 705479472 /nfs/dbraw/zinc/47/94/72/705479472.db2.gz LEDCYBWXUKNQSC-SFHVURJKSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000173955362 705479476 /nfs/dbraw/zinc/47/94/76/705479476.db2.gz LEDCYBWXUKNQSC-SFHVURJKSA-N 2 1 353.551 3.440 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000178005365 705650312 /nfs/dbraw/zinc/65/03/12/705650312.db2.gz IWEQLANQWVMBNK-SFHVURJKSA-N 2 1 351.535 3.370 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261793136 713714228 /nfs/dbraw/zinc/71/42/28/713714228.db2.gz ZCGTWKBIJUWDSA-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261793136 713714229 /nfs/dbraw/zinc/71/42/29/713714229.db2.gz ZCGTWKBIJUWDSA-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534057164 714428298 /nfs/dbraw/zinc/42/82/98/714428298.db2.gz WMLJGGFNJZRYTO-JCGIZDLHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534057164 714428302 /nfs/dbraw/zinc/42/83/02/714428302.db2.gz WMLJGGFNJZRYTO-JCGIZDLHSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000642650067 717986517 /nfs/dbraw/zinc/98/65/17/717986517.db2.gz WUFZEFJZYGHRLT-SFHVURJKSA-N 2 1 366.937 3.118 20 0 FGADMP [NH3+]CCC[C@@H]([NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000643543752 718038831 /nfs/dbraw/zinc/03/88/31/718038831.db2.gz KPUCHQRDHDNLEC-MSOLQXFVSA-N 2 1 362.470 3.114 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422996 715333093 /nfs/dbraw/zinc/33/30/93/715333093.db2.gz PFTBWVQDOKVHBP-LSDHHAIUSA-N 2 1 353.457 3.329 20 0 FGADMP COc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ccc1Cl ZINC000623526802 715354476 /nfs/dbraw/zinc/35/44/76/715354476.db2.gz TVBPTIPAHRAHPY-UHFFFAOYSA-N 2 1 363.889 3.364 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623625065 715374322 /nfs/dbraw/zinc/37/43/22/715374322.db2.gz IOHIGJWSFPRHNP-NEWSRXKRSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623625065 715374330 /nfs/dbraw/zinc/37/43/30/715374330.db2.gz IOHIGJWSFPRHNP-NEWSRXKRSA-N 2 1 351.485 3.359 20 0 FGADMP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4scnc43)cc2)CC1 ZINC000623888569 715424830 /nfs/dbraw/zinc/42/48/30/715424830.db2.gz LGRQTQZKWBKMRG-GOSISDBHSA-N 2 1 357.523 3.267 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626040506 715834883 /nfs/dbraw/zinc/83/48/83/715834883.db2.gz GUGQGHXPDPYYLK-DDUZABMNSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626040506 715834893 /nfs/dbraw/zinc/83/48/93/715834893.db2.gz GUGQGHXPDPYYLK-DDUZABMNSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000626040506 715834895 /nfs/dbraw/zinc/83/48/95/715834895.db2.gz GUGQGHXPDPYYLK-DDUZABMNSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000626040506 715834902 /nfs/dbraw/zinc/83/49/02/715834902.db2.gz GUGQGHXPDPYYLK-DDUZABMNSA-N 2 1 367.331 3.082 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704506 716057262 /nfs/dbraw/zinc/05/72/62/716057262.db2.gz WNAZNVLCRLNQMT-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP C[N@H+](CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704506 716057266 /nfs/dbraw/zinc/05/72/66/716057266.db2.gz WNAZNVLCRLNQMT-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704506 716057267 /nfs/dbraw/zinc/05/72/67/716057267.db2.gz WNAZNVLCRLNQMT-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704506 716057271 /nfs/dbraw/zinc/05/72/71/716057271.db2.gz WNAZNVLCRLNQMT-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704506 716057278 /nfs/dbraw/zinc/05/72/78/716057278.db2.gz WNAZNVLCRLNQMT-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP C[C@]1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272120 716133305 /nfs/dbraw/zinc/13/33/05/716133305.db2.gz DRXXXVFWIZSJSX-NHCUHLMSSA-N 2 1 359.583 3.164 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)c2ccccc21 ZINC000629522498 716302497 /nfs/dbraw/zinc/30/24/97/716302497.db2.gz BGWJXXKHSHHNBQ-NSISKUIASA-N 2 1 357.885 3.280 20 0 FGADMP [NH3+]CCCOCC[NH2+][C@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000629535989 716304437 /nfs/dbraw/zinc/30/44/37/716304437.db2.gz DQWPJKCVUZOEAT-INIZCTEOSA-N 2 1 371.250 3.226 20 0 FGADMP C[N@@H+](CCOCC[NH3+])Cc1c(-c2ccc(Cl)cc2)nc2sccn12 ZINC000629580687 716310767 /nfs/dbraw/zinc/31/07/67/716310767.db2.gz DMONLXFIHLEUIR-UHFFFAOYSA-N 2 1 364.902 3.123 20 0 FGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000629592848 716315050 /nfs/dbraw/zinc/31/50/50/716315050.db2.gz FFSCLJDIHJRPMI-CALCHBBNSA-N 2 1 356.297 3.253 20 0 FGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000629592848 716315051 /nfs/dbraw/zinc/31/50/51/716315051.db2.gz FFSCLJDIHJRPMI-CALCHBBNSA-N 2 1 356.297 3.253 20 0 FGADMP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631829538 716687752 /nfs/dbraw/zinc/68/77/52/716687752.db2.gz TUAGMXFGNXYRJF-CYBMUJFWSA-N 2 1 356.283 3.195 20 0 FGADMP Fc1cc(Br)cnc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631829538 716687756 /nfs/dbraw/zinc/68/77/56/716687756.db2.gz TUAGMXFGNXYRJF-CYBMUJFWSA-N 2 1 356.283 3.195 20 0 FGADMP C[C@@H](OC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759798 717599043 /nfs/dbraw/zinc/59/90/43/717599043.db2.gz JWLRXZDDVAMEPZ-APWZRJJASA-N 2 1 366.933 3.196 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000644558402 718123924 /nfs/dbraw/zinc/12/39/24/718123924.db2.gz POJGVIPOPCOLIA-LJQANCHMSA-N 2 1 356.535 3.394 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000644558402 718123928 /nfs/dbraw/zinc/12/39/28/718123928.db2.gz POJGVIPOPCOLIA-LJQANCHMSA-N 2 1 356.535 3.394 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000644619335 718134431 /nfs/dbraw/zinc/13/44/31/718134431.db2.gz CZPOCBFPPYSQJZ-VSZNYVQBSA-N 2 1 356.432 3.190 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000645159434 718188274 /nfs/dbraw/zinc/18/82/74/718188274.db2.gz ALONTSRWORKSLT-ZWKOTPCHSA-N 2 1 366.575 3.257 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188067 718191383 /nfs/dbraw/zinc/19/13/83/718191383.db2.gz IAOGPTLNHVUULK-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188067 718191385 /nfs/dbraw/zinc/19/13/85/718191385.db2.gz IAOGPTLNHVUULK-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188067 718191387 /nfs/dbraw/zinc/19/13/87/718191387.db2.gz IAOGPTLNHVUULK-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188067 718191389 /nfs/dbraw/zinc/19/13/89/718191389.db2.gz IAOGPTLNHVUULK-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[N@@H+](CCC[C@@H]1CCOC1)[C@H]1CCC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645839680 718245731 /nfs/dbraw/zinc/24/57/31/718245731.db2.gz XSLYWQBDBJCGRR-HKBOAZHASA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@H]1CCC[N@H+](CCC[C@H]2CCOC2)CC1 ZINC000645839680 718245734 /nfs/dbraw/zinc/24/57/34/718245734.db2.gz XSLYWQBDBJCGRR-HKBOAZHASA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CCC[C@H]2CCOC2)CC1 ZINC000645839680 718245737 /nfs/dbraw/zinc/24/57/37/718245737.db2.gz XSLYWQBDBJCGRR-HKBOAZHASA-N 2 1 352.563 3.406 20 0 FGADMP CC1(C)C[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000645957099 718254771 /nfs/dbraw/zinc/25/47/71/718254771.db2.gz PFTIMNAFFDLQAE-INIZCTEOSA-N 2 1 370.324 3.072 20 0 FGADMP OCC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000646017396 718258465 /nfs/dbraw/zinc/25/84/65/718258465.db2.gz POXAIZCXPRQFRK-QGZVFWFLSA-N 2 1 360.420 3.474 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000647497700 718364137 /nfs/dbraw/zinc/36/41/37/718364137.db2.gz RQFFLCWODHMLSM-ZBFHGGJFSA-N 2 1 352.404 3.450 20 0 FGADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000647498894 718364543 /nfs/dbraw/zinc/36/45/43/718364543.db2.gz STYHDHCBHGYELQ-WMLDXEAASA-N 2 1 363.303 3.194 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000647498894 718364544 /nfs/dbraw/zinc/36/45/44/718364544.db2.gz STYHDHCBHGYELQ-WMLDXEAASA-N 2 1 363.303 3.194 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978033 718391691 /nfs/dbraw/zinc/39/16/91/718391691.db2.gz LLLDLGNLQCEKJA-LSDHHAIUSA-N 2 1 351.441 3.005 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000647986546 718392690 /nfs/dbraw/zinc/39/26/90/718392690.db2.gz GBBIYXBXJNEHJY-CHWSQXEVSA-N 2 1 364.852 3.351 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000647986546 718392693 /nfs/dbraw/zinc/39/26/93/718392693.db2.gz GBBIYXBXJNEHJY-CHWSQXEVSA-N 2 1 364.852 3.351 20 0 FGADMP C[C@@H]1[C@H](C(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)CC[N@H+]1C ZINC000648924251 718459719 /nfs/dbraw/zinc/45/97/19/718459719.db2.gz GKJFEKFQGXCDAN-CZUORRHYSA-N 2 1 365.905 3.092 20 0 FGADMP [NH3+][C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000649268423 718499916 /nfs/dbraw/zinc/49/99/16/718499916.db2.gz FACQCHPCNWDVIJ-IBGZPJMESA-N 2 1 357.885 3.074 20 0 FGADMP [NH3+][C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000649268423 718499918 /nfs/dbraw/zinc/49/99/18/718499918.db2.gz FACQCHPCNWDVIJ-IBGZPJMESA-N 2 1 357.885 3.074 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCCC[NH+](CC)C2CCCCC2)C1 ZINC000650005811 718601871 /nfs/dbraw/zinc/60/18/71/718601871.db2.gz KMWXNCBOPACLEI-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@H+](CC)C2CCCCC2)C1 ZINC000650005811 718601876 /nfs/dbraw/zinc/60/18/76/718601876.db2.gz KMWXNCBOPACLEI-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NCCC[N@@H+](CC)C2CCCCC2)C1 ZINC000650005811 718601880 /nfs/dbraw/zinc/60/18/80/718601880.db2.gz KMWXNCBOPACLEI-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708144 718717795 /nfs/dbraw/zinc/71/77/95/718717795.db2.gz UIKRAZRBOYEEEF-JZXOWHBKSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723167 718720686 /nfs/dbraw/zinc/72/06/86/718720686.db2.gz IETRBIBSCDKGNS-ZTFGCOKTSA-N 2 1 358.511 3.066 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479518 718818465 /nfs/dbraw/zinc/81/84/65/718818465.db2.gz HHBVQGYOHSEUTI-LAVFITLUSA-N 2 1 355.448 3.089 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479518 718818471 /nfs/dbraw/zinc/81/84/71/718818471.db2.gz HHBVQGYOHSEUTI-LAVFITLUSA-N 2 1 355.448 3.089 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352050 718935956 /nfs/dbraw/zinc/93/59/56/718935956.db2.gz ZPFOUQNVDRWIDS-KSSFIOAISA-N 2 1 370.324 3.013 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352050 718935960 /nfs/dbraw/zinc/93/59/60/718935960.db2.gz ZPFOUQNVDRWIDS-KSSFIOAISA-N 2 1 370.324 3.013 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154454 719018434 /nfs/dbraw/zinc/01/84/34/719018434.db2.gz RZPSXRZHDUPRCP-PYNVLSHCSA-N 2 1 367.896 3.106 20 0 FGADMP [NH3+]Cc1nc(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)cs1 ZINC000653252957 719030508 /nfs/dbraw/zinc/03/05/08/719030508.db2.gz ANXXBUYDNIDBTM-UHFFFAOYSA-N 2 1 362.524 3.042 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618354 719051105 /nfs/dbraw/zinc/05/11/05/719051105.db2.gz ATUUHSNRDLNPIM-UXHICEINSA-N 2 1 365.525 3.342 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618354 719051109 /nfs/dbraw/zinc/05/11/09/719051109.db2.gz ATUUHSNRDLNPIM-UXHICEINSA-N 2 1 365.525 3.342 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655757139 719335519 /nfs/dbraw/zinc/33/55/19/719335519.db2.gz CKPHSIKHVGHJAD-SFHVURJKSA-N 2 1 367.331 3.491 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)ccc2OC(F)F)C[C@H](C)O1 ZINC000657368519 719634892 /nfs/dbraw/zinc/63/48/92/719634892.db2.gz XZWIWNJIPBPOQV-OKILXGFUSA-N 2 1 360.420 3.406 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(F)c(F)c3F)CC2)nc(C)[nH+]1 ZINC000657388570 719638338 /nfs/dbraw/zinc/63/83/38/719638338.db2.gz FKIASRWOOCFZIZ-UHFFFAOYSA-N 2 1 350.388 3.269 20 0 FGADMP Cn1ncc(Cl)c1CNC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657773896 719710191 /nfs/dbraw/zinc/71/01/91/719710191.db2.gz VSAQLMDXJRJSPH-QGZVFWFLSA-N 2 1 358.917 3.465 20 0 FGADMP COc1cc[nH+]c(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)c1 ZINC001164691704 719804105 /nfs/dbraw/zinc/80/41/05/719804105.db2.gz IZKKVJYJKBTNNU-UHFFFAOYSA-N 2 1 358.511 3.490 20 0 FGADMP C[C@H]1C[N@H+](CCSc2ccc(F)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660155205 719998484 /nfs/dbraw/zinc/99/84/84/719998484.db2.gz MMYHILCRGXOSGZ-MAUKXSAKSA-N 2 1 369.525 3.015 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2ccc(F)cc2F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660155205 719998485 /nfs/dbraw/zinc/99/84/85/719998485.db2.gz MMYHILCRGXOSGZ-MAUKXSAKSA-N 2 1 369.525 3.015 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCN2C[C@@H](C)O[C@@H](C)C2)CC1)CC(C)C ZINC000660170091 720001018 /nfs/dbraw/zinc/00/10/18/720001018.db2.gz DMCLTGJBPVSEOY-BGYRXZFFSA-N 2 1 353.595 3.176 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660422 720094630 /nfs/dbraw/zinc/09/46/30/720094630.db2.gz VDPSTKZAUVGFNA-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660422 720094634 /nfs/dbraw/zinc/09/46/34/720094634.db2.gz VDPSTKZAUVGFNA-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660422 720094638 /nfs/dbraw/zinc/09/46/38/720094638.db2.gz VDPSTKZAUVGFNA-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660422 720094642 /nfs/dbraw/zinc/09/46/42/720094642.db2.gz VDPSTKZAUVGFNA-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659896 720094677 /nfs/dbraw/zinc/09/46/77/720094677.db2.gz SARWNMQYLJTMSV-AEFFLSMTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659896 720094681 /nfs/dbraw/zinc/09/46/81/720094681.db2.gz SARWNMQYLJTMSV-AEFFLSMTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659896 720094689 /nfs/dbraw/zinc/09/46/89/720094689.db2.gz SARWNMQYLJTMSV-AEFFLSMTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404269 720242980 /nfs/dbraw/zinc/24/29/80/720242980.db2.gz VZSIHZBZVOVMLG-DLBZAZTESA-N 2 1 366.937 3.115 20 0 FGADMP Fc1cc(Br)cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281066 720409535 /nfs/dbraw/zinc/40/95/35/720409535.db2.gz SHCIFIKUKHNRPE-JKSUJKDBSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc(Br)cc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281066 720409537 /nfs/dbraw/zinc/40/95/37/720409537.db2.gz SHCIFIKUKHNRPE-JKSUJKDBSA-N 2 1 369.278 3.246 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662313726 720414010 /nfs/dbraw/zinc/41/40/10/720414010.db2.gz YQADYNRQLPVMHP-CZUORRHYSA-N 2 1 357.420 3.483 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CCC[NH3+] ZINC000662312965 720414029 /nfs/dbraw/zinc/41/40/29/720414029.db2.gz CMDUMZFSJRNVTL-CZUORRHYSA-N 2 1 357.420 3.483 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000662393332 720424301 /nfs/dbraw/zinc/42/43/01/720424301.db2.gz QHCMFGFUWUDRLC-LRDDRELGSA-N 2 1 358.313 3.102 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662470377 720431818 /nfs/dbraw/zinc/43/18/18/720431818.db2.gz GKLFYMSZBLOWHV-SUMWQHHRSA-N 2 1 370.324 3.198 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662474341 720432309 /nfs/dbraw/zinc/43/23/09/720432309.db2.gz VOUZAONEMJKQRF-IAQYHMDHSA-N 2 1 360.329 3.346 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c(C(C)C)nc2s1 ZINC000663346222 720503675 /nfs/dbraw/zinc/50/36/75/720503675.db2.gz QYGSVBGKXRZAMW-INIZCTEOSA-N 2 1 361.559 3.434 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c(C(C)C)nc2s1 ZINC000663346222 720503677 /nfs/dbraw/zinc/50/36/77/720503677.db2.gz QYGSVBGKXRZAMW-INIZCTEOSA-N 2 1 361.559 3.434 20 0 FGADMP COc1cc[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842476 720662532 /nfs/dbraw/zinc/66/25/32/720662532.db2.gz RRBFBCOTJFFGGI-LJQANCHMSA-N 2 1 367.493 3.350 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554067 720785057 /nfs/dbraw/zinc/78/50/57/720785057.db2.gz FFMJEZXRDYNJCX-IRXDYDNUSA-N 2 1 366.937 3.115 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164762006 721167621 /nfs/dbraw/zinc/16/76/21/721167621.db2.gz BRGIRPAXHHKHFU-PMACEKPBSA-N 2 1 361.493 3.235 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]1 ZINC001164762006 721167626 /nfs/dbraw/zinc/16/76/26/721167626.db2.gz BRGIRPAXHHKHFU-PMACEKPBSA-N 2 1 361.493 3.235 20 0 FGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1F ZINC000668784548 721356649 /nfs/dbraw/zinc/35/66/49/721356649.db2.gz FHHIVDQFNJCQRO-AEFFLSMTSA-N 2 1 352.494 3.056 20 0 FGADMP C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669937693 721503735 /nfs/dbraw/zinc/50/37/35/721503735.db2.gz OZWNBNXBILAZPZ-TXPKVOOTSA-N 2 1 357.523 3.178 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(C(C)C)C(C)C)CC2)CC1 ZINC000671305469 721585000 /nfs/dbraw/zinc/58/50/00/721585000.db2.gz IBWJTWXPNQRJSI-UHFFFAOYSA-N 2 1 351.579 3.181 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671761353 721612663 /nfs/dbraw/zinc/61/26/63/721612663.db2.gz XCYKEEKYHBJRCR-OAGGEKHMSA-N 2 1 353.304 3.420 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671761352 721612712 /nfs/dbraw/zinc/61/27/12/721612712.db2.gz XCYKEEKYHBJRCR-BZUAXINKSA-N 2 1 353.304 3.420 20 0 FGADMP FC(F)(F)c1ccccc1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675500532 721758356 /nfs/dbraw/zinc/75/83/56/721758356.db2.gz WMHWVNKJZUEKRI-UHFFFAOYSA-N 2 1 351.372 3.301 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165029395 721818056 /nfs/dbraw/zinc/81/80/56/721818056.db2.gz YUQKOHQIHFTQIT-IOMROCGXSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165029395 721818057 /nfs/dbraw/zinc/81/80/57/721818057.db2.gz YUQKOHQIHFTQIT-IOMROCGXSA-N 2 1 365.525 3.479 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842941 721918875 /nfs/dbraw/zinc/91/88/75/721918875.db2.gz OLUSBPSTPITZJG-BMGDILEWSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842941 721918878 /nfs/dbraw/zinc/91/88/78/721918878.db2.gz OLUSBPSTPITZJG-BMGDILEWSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000677842941 721918879 /nfs/dbraw/zinc/91/88/79/721918879.db2.gz OLUSBPSTPITZJG-BMGDILEWSA-N 2 1 367.896 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806703 721980111 /nfs/dbraw/zinc/98/01/11/721980111.db2.gz QBRUJFKYJSQLII-QAPCUYQASA-N 2 1 368.518 3.288 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C12CCCCC2 ZINC000678928750 721990716 /nfs/dbraw/zinc/99/07/16/721990716.db2.gz UJYIAUHBAIBZCJ-XUVXKRRUSA-N 2 1 350.547 3.347 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227225 722286627 /nfs/dbraw/zinc/28/66/27/722286627.db2.gz OUFICDQNNONNIZ-UONOGXRCSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227225 722286628 /nfs/dbraw/zinc/28/66/28/722286628.db2.gz OUFICDQNNONNIZ-UONOGXRCSA-N 2 1 361.313 3.149 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)(C)C)s1 ZINC000685456108 722385646 /nfs/dbraw/zinc/38/56/46/722385646.db2.gz QRBQRHBYFFRAOV-INIZCTEOSA-N 2 1 352.592 3.289 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789126 722409918 /nfs/dbraw/zinc/40/99/18/722409918.db2.gz SZKMREOUBPMTTN-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cccc(Cl)c1 ZINC000751010593 722790539 /nfs/dbraw/zinc/79/05/39/722790539.db2.gz IWSCOKKJXTWVHU-KRWDZBQOSA-N 2 1 368.978 3.385 20 0 FGADMP CCc1cccc(NC(=S)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000751010079 722790623 /nfs/dbraw/zinc/79/06/23/722790623.db2.gz HCCBNIWYXCRFKG-LJQANCHMSA-N 2 1 362.587 3.294 20 0 FGADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107194 722974701 /nfs/dbraw/zinc/97/47/01/722974701.db2.gz TZJKSYZRQHIOSH-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107194 722974702 /nfs/dbraw/zinc/97/47/02/722974702.db2.gz TZJKSYZRQHIOSH-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000757107194 722974703 /nfs/dbraw/zinc/97/47/03/722974703.db2.gz TZJKSYZRQHIOSH-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832275 723096280 /nfs/dbraw/zinc/09/62/80/723096280.db2.gz WXLIGPPMHBPHRW-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832275 723096282 /nfs/dbraw/zinc/09/62/82/723096282.db2.gz WXLIGPPMHBPHRW-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832275 723096286 /nfs/dbraw/zinc/09/62/86/723096286.db2.gz WXLIGPPMHBPHRW-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762915798 723291552 /nfs/dbraw/zinc/29/15/52/723291552.db2.gz FQAYWTKHPKKTPX-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762915798 723291554 /nfs/dbraw/zinc/29/15/54/723291554.db2.gz FQAYWTKHPKKTPX-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000764637168 723433417 /nfs/dbraw/zinc/43/34/17/723433417.db2.gz BIBLPOCDGQFEIN-CYBMUJFWSA-N 2 1 360.470 3.208 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000764747353 723442146 /nfs/dbraw/zinc/44/21/46/723442146.db2.gz HJWIQEONDUBUMR-SNRMKQJTSA-N 2 1 354.922 3.100 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426717 723618928 /nfs/dbraw/zinc/61/89/28/723618928.db2.gz LLAISSGKNHPTLB-INIZCTEOSA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426717 723618930 /nfs/dbraw/zinc/61/89/30/723618930.db2.gz LLAISSGKNHPTLB-INIZCTEOSA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426717 723618932 /nfs/dbraw/zinc/61/89/32/723618932.db2.gz LLAISSGKNHPTLB-INIZCTEOSA-N 2 1 351.535 3.335 20 0 FGADMP CC[C@H](C[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000768200992 723650379 /nfs/dbraw/zinc/65/03/79/723650379.db2.gz SBPRRVLIHAJCNS-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(Br)c1 ZINC000774208875 723869899 /nfs/dbraw/zinc/86/98/99/723869899.db2.gz KLUCVCIBARLANF-WWTUQBGBSA-N 2 1 353.304 3.431 20 0 FGADMP CN(CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975243 723893485 /nfs/dbraw/zinc/89/34/85/723893485.db2.gz YZYUDFBXYGNESQ-SJLPKXTDSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975243 723893488 /nfs/dbraw/zinc/89/34/88/723893488.db2.gz YZYUDFBXYGNESQ-SJLPKXTDSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975243 723893491 /nfs/dbraw/zinc/89/34/91/723893491.db2.gz YZYUDFBXYGNESQ-SJLPKXTDSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975243 723893495 /nfs/dbraw/zinc/89/34/95/723893495.db2.gz YZYUDFBXYGNESQ-SJLPKXTDSA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+](C)Cc1cc(NC(=S)NCC2CC[NH+](C)CC2)ccc1Cl ZINC000798378800 723927215 /nfs/dbraw/zinc/92/72/15/723927215.db2.gz KOCHSFSTBKNXPY-UHFFFAOYSA-N 2 1 354.951 3.030 20 0 FGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000774993983 723949365 /nfs/dbraw/zinc/94/93/65/723949365.db2.gz UJHDOOQNHCNOFI-INIZCTEOSA-N 2 1 367.559 3.465 20 0 FGADMP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000774993983 723949367 /nfs/dbraw/zinc/94/93/67/723949367.db2.gz UJHDOOQNHCNOFI-INIZCTEOSA-N 2 1 367.559 3.465 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000799177648 723995342 /nfs/dbraw/zinc/99/53/42/723995342.db2.gz ZGHPORNHLAEUHH-KRWDZBQOSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621012 724011522 /nfs/dbraw/zinc/01/15/22/724011522.db2.gz GXHMXTGEHRMGDC-XDNAFOTISA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000801925032 724346606 /nfs/dbraw/zinc/34/66/06/724346606.db2.gz YQVCKAHIJNASOC-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000801925032 724346609 /nfs/dbraw/zinc/34/66/09/724346609.db2.gz YQVCKAHIJNASOC-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925032 724346613 /nfs/dbraw/zinc/34/66/13/724346613.db2.gz YQVCKAHIJNASOC-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925032 724346616 /nfs/dbraw/zinc/34/66/16/724346616.db2.gz YQVCKAHIJNASOC-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000787034971 725014299 /nfs/dbraw/zinc/01/42/99/725014299.db2.gz MIBDGBAFHFGYHS-MDASCCDHSA-N 2 1 372.912 3.239 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000809548539 725246635 /nfs/dbraw/zinc/24/66/35/725246635.db2.gz FJUPYHJYKGSWTC-SFHVURJKSA-N 2 1 358.555 3.301 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000809548539 725246636 /nfs/dbraw/zinc/24/66/36/725246636.db2.gz FJUPYHJYKGSWTC-SFHVURJKSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)C1 ZINC000809605535 725251644 /nfs/dbraw/zinc/25/16/44/725251644.db2.gz DMMAGVDDNGLNKI-OQSMONGASA-N 2 1 353.551 3.390 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465277 725309330 /nfs/dbraw/zinc/30/93/30/725309330.db2.gz KWAIOOIRIFTGBN-QFBILLFUSA-N 2 1 369.912 3.271 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505149 725370342 /nfs/dbraw/zinc/37/03/42/725370342.db2.gz GVLJOQLCTKBMLR-LPHOPBHVSA-N 2 1 369.912 3.271 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678356 726992421 /nfs/dbraw/zinc/99/24/21/726992421.db2.gz RZYSODZKSLHCBE-FGTMMUONSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678356 726992422 /nfs/dbraw/zinc/99/24/22/726992422.db2.gz RZYSODZKSLHCBE-FGTMMUONSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678356 726992424 /nfs/dbraw/zinc/99/24/24/726992424.db2.gz RZYSODZKSLHCBE-FGTMMUONSA-N 2 1 351.535 3.050 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817292642 727236996 /nfs/dbraw/zinc/23/69/96/727236996.db2.gz MKDTYSXHRZJJHT-VYDXJSESSA-N 2 1 350.507 3.063 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C[C@@H]1C ZINC000817292642 727236998 /nfs/dbraw/zinc/23/69/98/727236998.db2.gz MKDTYSXHRZJJHT-VYDXJSESSA-N 2 1 350.507 3.063 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817292639 727237110 /nfs/dbraw/zinc/23/71/10/727237110.db2.gz MKDTYSXHRZJJHT-UXLLHSPISA-N 2 1 350.507 3.063 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@H]1C ZINC000817292639 727237111 /nfs/dbraw/zinc/23/71/11/727237111.db2.gz MKDTYSXHRZJJHT-UXLLHSPISA-N 2 1 350.507 3.063 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC000823464895 729282901 /nfs/dbraw/zinc/28/29/01/729282901.db2.gz OGWCSOCEFRXGKU-YLAKUSLOSA-N 2 1 351.535 3.048 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC000823464895 729282904 /nfs/dbraw/zinc/28/29/04/729282904.db2.gz OGWCSOCEFRXGKU-YLAKUSLOSA-N 2 1 351.535 3.048 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)C[C@H]1C ZINC000823464895 729282906 /nfs/dbraw/zinc/28/29/06/729282906.db2.gz OGWCSOCEFRXGKU-YLAKUSLOSA-N 2 1 351.535 3.048 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000823489257 729284913 /nfs/dbraw/zinc/28/49/13/729284913.db2.gz CNMGTRYOGRIFDP-KURKYZTESA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000823489257 729284917 /nfs/dbraw/zinc/28/49/17/729284917.db2.gz CNMGTRYOGRIFDP-KURKYZTESA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000823489257 729284920 /nfs/dbraw/zinc/28/49/20/729284920.db2.gz CNMGTRYOGRIFDP-KURKYZTESA-N 2 1 353.551 3.199 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823699075 729299562 /nfs/dbraw/zinc/29/95/62/729299562.db2.gz ZUDPOVAXFHZTKF-OKZBNKHCSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000823736473 729301939 /nfs/dbraw/zinc/30/19/39/729301939.db2.gz CNYUQLGSXCHQEI-KZNAEPCWSA-N 2 1 353.551 3.344 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533121 729431439 /nfs/dbraw/zinc/43/14/39/729431439.db2.gz CNTXKKGZZPQPIS-KRWDZBQOSA-N 2 1 366.937 3.012 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509610 729647914 /nfs/dbraw/zinc/64/79/14/729647914.db2.gz FMMGZIRNXAHMPK-WMZOPIPTSA-N 2 1 355.885 3.250 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509610 729647917 /nfs/dbraw/zinc/64/79/17/729647917.db2.gz FMMGZIRNXAHMPK-WMZOPIPTSA-N 2 1 355.885 3.250 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645073 729724662 /nfs/dbraw/zinc/72/46/62/729724662.db2.gz GPGNZYFQWYHBAS-ZBFHGGJFSA-N 2 1 350.507 3.205 20 0 FGADMP CC[NH+](CC)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F ZINC000834353806 729795667 /nfs/dbraw/zinc/79/56/67/729795667.db2.gz MZQIPORTXLEKKT-INIZCTEOSA-N 2 1 361.299 3.117 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566640 729814989 /nfs/dbraw/zinc/81/49/89/729814989.db2.gz PTLVZAFTUVTONT-RCCFBDPRSA-N 2 1 353.551 3.484 20 0 FGADMP CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835251 730280171 /nfs/dbraw/zinc/28/01/71/730280171.db2.gz MPDZPLFIAWBLHJ-IDMDMSBLSA-N 2 1 364.559 3.042 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000842472247 730506685 /nfs/dbraw/zinc/50/66/85/730506685.db2.gz AVWUTANWVYKZOD-INIZCTEOSA-N 2 1 369.481 3.404 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364221 730610729 /nfs/dbraw/zinc/61/07/29/730610729.db2.gz SRRUYRXNHWCTQU-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388444 730612727 /nfs/dbraw/zinc/61/27/27/730612727.db2.gz NUQFUMDWGKLYCL-KGLIPLIRSA-N 2 1 369.481 3.261 20 0 FGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844901394 730787011 /nfs/dbraw/zinc/78/70/11/730787011.db2.gz DVTQDVFZYNJQAA-LZLYRXPVSA-N 2 1 368.953 3.363 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846132160 730931438 /nfs/dbraw/zinc/93/14/38/730931438.db2.gz VSMLVKMVKWBNOW-QGZVFWFLSA-N 2 1 362.905 3.087 20 0 FGADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846176727 730933805 /nfs/dbraw/zinc/93/38/05/730933805.db2.gz HNMVHYDSXWVBMX-AWEZNQCLSA-N 2 1 362.486 3.311 20 0 FGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846176727 730933807 /nfs/dbraw/zinc/93/38/07/730933807.db2.gz HNMVHYDSXWVBMX-AWEZNQCLSA-N 2 1 362.486 3.311 20 0 FGADMP Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCCCCC[NH3+])CC1 ZINC000846219314 730937297 /nfs/dbraw/zinc/93/72/97/730937297.db2.gz NZKCDHLEJMAAPV-UHFFFAOYSA-N 2 1 359.539 3.487 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848529391 731175884 /nfs/dbraw/zinc/17/58/84/731175884.db2.gz MPLJFTIJYINKJW-IAGOWNOFSA-N 2 1 350.507 3.397 20 0 FGADMP C[C@@H](NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)c1ccc(Cl)cc1Cl ZINC000849079349 731226663 /nfs/dbraw/zinc/22/66/63/731226663.db2.gz JMWIPEOHIVDAED-CYBMUJFWSA-N 2 1 374.360 3.052 20 0 FGADMP C[C@@H](NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)c1ccc(Cl)cc1Cl ZINC000849079349 731226666 /nfs/dbraw/zinc/22/66/66/731226666.db2.gz JMWIPEOHIVDAED-CYBMUJFWSA-N 2 1 374.360 3.052 20 0 FGADMP C[C@@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112951 731230529 /nfs/dbraw/zinc/23/05/29/731230529.db2.gz GFVIXMXNALNWEA-OCCSQVGLSA-N 2 1 373.328 3.015 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C)c1OC(F)F ZINC000850397297 731352296 /nfs/dbraw/zinc/35/22/96/731352296.db2.gz VFSBAMFRRRDCBQ-QGZVFWFLSA-N 2 1 354.441 3.248 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584359 732040283 /nfs/dbraw/zinc/04/02/83/732040283.db2.gz IPEYUQFYWADEOD-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584359 732040287 /nfs/dbraw/zinc/04/02/87/732040287.db2.gz IPEYUQFYWADEOD-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584359 732040294 /nfs/dbraw/zinc/04/02/94/732040294.db2.gz IPEYUQFYWADEOD-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CCN(Cc3cncc(Cl)c3)C2)ccn1 ZINC000856765527 732056383 /nfs/dbraw/zinc/05/63/83/732056383.db2.gz HMCKGOGNKSKINE-IBGZPJMESA-N 2 1 360.889 3.235 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261985 733330146 /nfs/dbraw/zinc/33/01/46/733330146.db2.gz CUOYZMBRLATSSJ-KGLIPLIRSA-N 2 1 351.878 3.369 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@@H](C)C1 ZINC000872129287 735594095 /nfs/dbraw/zinc/59/40/95/735594095.db2.gz XIFZJXQONKHGAL-JCECYMMASA-N 2 1 351.535 3.094 20 0 FGADMP Cc1ccc(S(=O)(=O)C2CC[NH+](CCCCCCC[NH3+])CC2)cc1 ZINC000872146046 735594665 /nfs/dbraw/zinc/59/46/65/735594665.db2.gz CSMODWOGNFRKFT-UHFFFAOYSA-N 2 1 352.544 3.142 20 0 FGADMP CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156360 735597026 /nfs/dbraw/zinc/59/70/26/735597026.db2.gz ILZFMDARAHGPPG-WMLDXEAASA-N 2 1 365.543 3.439 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000873306692 735749000 /nfs/dbraw/zinc/74/90/00/735749000.db2.gz XCTIYPHFEZIXSM-UHFFFAOYSA-N 2 1 364.559 3.218 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000874433662 735869189 /nfs/dbraw/zinc/86/91/89/735869189.db2.gz NRASYLMGHFBEPX-KRWDZBQOSA-N 2 1 354.926 3.103 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876898065 736160311 /nfs/dbraw/zinc/16/03/11/736160311.db2.gz ZAIFLURXDJYVFL-NSYGIPOTSA-N 2 1 368.458 3.331 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877642793 736698926 /nfs/dbraw/zinc/69/89/26/736698926.db2.gz UMAPUYVUQWJVBQ-CYBMUJFWSA-N 2 1 353.919 3.492 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877642793 736698927 /nfs/dbraw/zinc/69/89/27/736698927.db2.gz UMAPUYVUQWJVBQ-CYBMUJFWSA-N 2 1 353.919 3.492 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)CC1 ZINC000878865749 736926988 /nfs/dbraw/zinc/92/69/88/736926988.db2.gz CLJLKFUAJSDWPJ-UHFFFAOYSA-N 2 1 351.535 3.051 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582508 737010683 /nfs/dbraw/zinc/01/06/83/737010683.db2.gz SEHYKCSAFYKIID-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582508 737010687 /nfs/dbraw/zinc/01/06/87/737010687.db2.gz SEHYKCSAFYKIID-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000879582508 737010691 /nfs/dbraw/zinc/01/06/91/737010691.db2.gz SEHYKCSAFYKIID-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000886813541 739305343 /nfs/dbraw/zinc/30/53/43/739305343.db2.gz ONKCTHKSNUFNAJ-GOSISDBHSA-N 2 1 356.432 3.419 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000891597160 739919456 /nfs/dbraw/zinc/91/94/56/739919456.db2.gz LCFPLYAVFWHZGY-RDJZCZTQSA-N 2 1 364.559 3.092 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000891597156 739919575 /nfs/dbraw/zinc/91/95/75/739919575.db2.gz LBLIWNYUTQRJRG-SJLPKXTDSA-N 2 1 366.575 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(CC(F)(F)F)s2)C1 ZINC000892142854 739970013 /nfs/dbraw/zinc/97/00/13/739970013.db2.gz FYMSBRDNAZFNSH-CYBMUJFWSA-N 2 1 365.465 3.181 20 0 FGADMP CC[N@H+](Cc1c2c(nn1C)CCSC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000894765993 742330151 /nfs/dbraw/zinc/33/01/51/742330151.db2.gz MVGFVPAMFPAPPC-UHFFFAOYSA-N 2 1 358.555 3.293 20 0 FGADMP CC[N@@H+](Cc1c2c(nn1C)CCSC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000894765993 742330155 /nfs/dbraw/zinc/33/01/55/742330155.db2.gz MVGFVPAMFPAPPC-UHFFFAOYSA-N 2 1 358.555 3.293 20 0 FGADMP CCO/C=C\[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000895709594 742444095 /nfs/dbraw/zinc/44/40/95/742444095.db2.gz HBBGEIRDNOKAQY-OJNOIJSXSA-N 2 1 364.452 3.217 20 0 FGADMP CC(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)NC(=O)OC(C)(C)C ZINC000903097249 743804464 /nfs/dbraw/zinc/80/44/64/743804464.db2.gz DWIHINNEGIGQLZ-ONQFOCNCSA-N 2 1 351.535 3.283 20 0 FGADMP FC(F)(F)c1cccnc1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903127502 743810412 /nfs/dbraw/zinc/81/04/12/743810412.db2.gz ZMURNJPJIFQORO-LQDVMPOASA-N 2 1 355.404 3.227 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3Br)CC2)C1 ZINC000903459055 743853193 /nfs/dbraw/zinc/85/31/93/743853193.db2.gz AERZCHJOESBVAP-GDBMZVCRSA-N 2 1 371.294 3.307 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905110297 743993560 /nfs/dbraw/zinc/99/35/60/743993560.db2.gz LYWSMFYXBRNYQD-GOSISDBHSA-N 2 1 374.356 3.034 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\Sc2ccccc2)CC1 ZINC000919860611 758482250 /nfs/dbraw/zinc/48/22/50/758482250.db2.gz FBMHPSYPIYIDBD-ZSOIEALJSA-N 2 1 354.479 3.078 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000921686119 758770625 /nfs/dbraw/zinc/77/06/25/758770625.db2.gz FXURPIILIWSSIP-UHFFFAOYSA-N 2 1 355.511 3.285 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(-c3ccn(C)n3)n2)c1 ZINC000921686119 758770631 /nfs/dbraw/zinc/77/06/31/758770631.db2.gz FXURPIILIWSSIP-UHFFFAOYSA-N 2 1 355.511 3.285 20 0 FGADMP CSCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000922239918 758877444 /nfs/dbraw/zinc/87/74/44/758877444.db2.gz LRPZLPSEYCRMPV-NRFANRHFSA-N 2 1 356.535 3.406 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393606 758912394 /nfs/dbraw/zinc/91/23/94/758912394.db2.gz MLGTYMRYLFNWBA-VXNCWWDNSA-N 2 1 351.922 3.003 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392066 758912975 /nfs/dbraw/zinc/91/29/75/758912975.db2.gz AZFZXNTVAQEXHY-XSYGEPLQSA-N 2 1 363.571 3.370 20 0 FGADMP Cc1nc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)sc1C(C)(C)C ZINC000923383682 759109232 /nfs/dbraw/zinc/10/92/32/759109232.db2.gz LRGVDCGGDSRNPO-UHFFFAOYSA-N 2 1 359.543 3.386 20 0 FGADMP CC[NH+]1CCC([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC1 ZINC000924569431 759355847 /nfs/dbraw/zinc/35/58/47/759355847.db2.gz HKBUVGAXCVUPMV-UHFFFAOYSA-N 2 1 351.535 3.240 20 0 FGADMP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924632636 759365776 /nfs/dbraw/zinc/36/57/76/759365776.db2.gz SEPJEUVYKHMPGS-QZTJIDSGSA-N 2 1 352.954 3.438 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc[nH]c(=O)c3)CC2)cs1 ZINC000925030798 759433545 /nfs/dbraw/zinc/43/35/45/759433545.db2.gz IWDWZKJFRAABKU-AWEZNQCLSA-N 2 1 360.527 3.369 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688619 759803350 /nfs/dbraw/zinc/80/33/50/759803350.db2.gz GCSMPQZPONHGPR-APWZRJJASA-N 2 1 357.885 3.079 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000927005812 759875044 /nfs/dbraw/zinc/87/50/44/759875044.db2.gz PJACHRNKWIHOLX-TVKQPGBESA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061141 760519834 /nfs/dbraw/zinc/51/98/34/760519834.db2.gz QQYVPNXDHKCMGH-ZSXDVEMLSA-N 2 1 350.453 3.219 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061141 760519842 /nfs/dbraw/zinc/51/98/42/760519842.db2.gz QQYVPNXDHKCMGH-ZSXDVEMLSA-N 2 1 350.453 3.219 20 0 FGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000931354262 760836759 /nfs/dbraw/zinc/83/67/59/760836759.db2.gz GCFFSIYCDZXMJZ-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2csc(C)c2)CC[N@H+]1C ZINC000960643185 762736872 /nfs/dbraw/zinc/73/68/72/762736872.db2.gz KUWSWJBATJWWNB-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2csc(C)c2)CC[NH+]1C ZINC000960643185 762736874 /nfs/dbraw/zinc/73/68/74/762736874.db2.gz KUWSWJBATJWWNB-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2csc(C)c2)CC[NH+]1C ZINC000960643185 762736877 /nfs/dbraw/zinc/73/68/77/762736877.db2.gz KUWSWJBATJWWNB-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1cccc(Cl)c1 ZINC000996603555 765019282 /nfs/dbraw/zinc/01/92/82/765019282.db2.gz ONIWGZRILAYLPG-SPYBWZPUSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C)sc3C)CC2)CC[N@H+]1C ZINC000996611339 765021194 /nfs/dbraw/zinc/02/11/94/765021194.db2.gz JDUVINDYXVUETJ-RBUKOAKNSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC001002852380 765347911 /nfs/dbraw/zinc/34/79/11/765347911.db2.gz OTPHRRNWKRKDCJ-CRAIPNDOSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001020174442 765866651 /nfs/dbraw/zinc/86/66/51/765866651.db2.gz BEBISUMFGHFSFU-LSTDLKDCSA-N 2 1 363.933 3.116 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001023380665 766035626 /nfs/dbraw/zinc/03/56/26/766035626.db2.gz DZEJWVAKBYIKCI-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001023380665 766035632 /nfs/dbraw/zinc/03/56/32/766035632.db2.gz DZEJWVAKBYIKCI-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001023380665 766035638 /nfs/dbraw/zinc/03/56/38/766035638.db2.gz DZEJWVAKBYIKCI-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001023994046 766047457 /nfs/dbraw/zinc/04/74/57/766047457.db2.gz XNDPNFNDYOVERZ-QLFBSQMISA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCc3cccs3)CC2)CC[N@H+]1C ZINC001026497407 766074733 /nfs/dbraw/zinc/07/47/33/766074733.db2.gz YFSDLRDSIHKBEI-YVZJPGBNSA-N 2 1 363.571 3.038 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001026856361 766083229 /nfs/dbraw/zinc/08/32/29/766083229.db2.gz YJICAPJPQVCWSJ-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555304 257380010 /nfs/dbraw/zinc/38/00/10/257380010.db2.gz FLQSRXSSCODFFR-DZFGPLHGSA-N 2 1 351.494 3.103 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000570799429 505583450 /nfs/dbraw/zinc/58/34/50/505583450.db2.gz ODPVUFILZBGMBW-UHFFFAOYSA-N 2 1 369.431 3.010 20 0 FGADMP [NH3+]CCCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000576821561 505602696 /nfs/dbraw/zinc/60/26/96/505602696.db2.gz RUHWUXDUUFFZDP-UHFFFAOYSA-N 2 1 358.313 3.203 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1nccc2ccccc21 ZINC000579779629 505618763 /nfs/dbraw/zinc/61/87/63/505618763.db2.gz FYDYRSQREKVVJD-MRXNPFEDSA-N 2 1 350.466 3.421 20 0 FGADMP CC[N@@H+](CCC1CC1)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000568147314 505627782 /nfs/dbraw/zinc/62/77/82/505627782.db2.gz ZFPKOUCBNMKGPZ-UHFFFAOYSA-N 2 1 357.542 3.198 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000571014741 505632830 /nfs/dbraw/zinc/63/28/30/505632830.db2.gz WDPXTHHXXGXORK-UHFFFAOYSA-N 2 1 367.493 3.212 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000580061659 505672714 /nfs/dbraw/zinc/67/27/14/505672714.db2.gz YGJZCLLKFNITHS-QGZVFWFLSA-N 2 1 374.529 3.065 20 0 FGADMP CC1(C)CCc2ccccc2[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000571196822 505677120 /nfs/dbraw/zinc/67/71/20/505677120.db2.gz WTVZNCUOJXLVEF-GOSISDBHSA-N 2 1 353.514 3.465 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000577163544 505677589 /nfs/dbraw/zinc/67/75/89/505677589.db2.gz ICTCGPQWQUKDPZ-WFXMLNOXSA-N 2 1 372.557 3.472 20 0 FGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075885838 493790762 /nfs/dbraw/zinc/79/07/62/493790762.db2.gz HVXIWAGMRALQOJ-NRFANRHFSA-N 2 1 359.558 3.237 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)CC[NH+](C)C)c2)cc1 ZINC000068353168 493803233 /nfs/dbraw/zinc/80/32/33/493803233.db2.gz GJFGYLXIFWAKSI-INIZCTEOSA-N 2 1 355.482 3.377 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000057843713 493807687 /nfs/dbraw/zinc/80/76/87/493807687.db2.gz QTYWZTAJMSUVHA-UHFFFAOYSA-N 2 1 365.521 3.147 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000068452617 493823424 /nfs/dbraw/zinc/82/34/24/493823424.db2.gz PTFUPZJNTHOZAO-UHFFFAOYSA-N 2 1 351.494 3.469 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000068452617 493823426 /nfs/dbraw/zinc/82/34/26/493823426.db2.gz PTFUPZJNTHOZAO-UHFFFAOYSA-N 2 1 351.494 3.469 20 0 FGADMP CC[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000030145061 493877732 /nfs/dbraw/zinc/87/77/32/493877732.db2.gz ASNHDFFNHGVXKQ-OALUTQOASA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)CC2)CC1 ZINC000068828729 493880253 /nfs/dbraw/zinc/88/02/53/493880253.db2.gz BHXPHESOHAJBIE-SFHVURJKSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000076387766 493880626 /nfs/dbraw/zinc/88/06/26/493880626.db2.gz CNMVLFCOEHDYBZ-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516515 493907632 /nfs/dbraw/zinc/90/76/32/493907632.db2.gz RDTLDHPRBDOWNI-IBGZPJMESA-N 2 1 356.514 3.163 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516515 493907635 /nfs/dbraw/zinc/90/76/35/493907635.db2.gz RDTLDHPRBDOWNI-IBGZPJMESA-N 2 1 356.514 3.163 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516515 493907638 /nfs/dbraw/zinc/90/76/38/493907638.db2.gz RDTLDHPRBDOWNI-IBGZPJMESA-N 2 1 356.514 3.163 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516515 493907641 /nfs/dbraw/zinc/90/76/41/493907641.db2.gz RDTLDHPRBDOWNI-IBGZPJMESA-N 2 1 356.514 3.163 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000060335515 493923207 /nfs/dbraw/zinc/92/32/07/493923207.db2.gz NFVLNUKEXQQCLK-PMACEKPBSA-N 2 1 361.530 3.069 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081597142 493925633 /nfs/dbraw/zinc/92/56/33/493925633.db2.gz XYEMPYJLJQCKMD-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081597142 493925636 /nfs/dbraw/zinc/92/56/36/493925636.db2.gz XYEMPYJLJQCKMD-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081597142 493925638 /nfs/dbraw/zinc/92/56/38/493925638.db2.gz XYEMPYJLJQCKMD-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081597142 493925641 /nfs/dbraw/zinc/92/56/41/493925641.db2.gz XYEMPYJLJQCKMD-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP COC(=O)c1oc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000574084884 505690041 /nfs/dbraw/zinc/69/00/41/505690041.db2.gz USCYTMBUYMFYJA-RBUKOAKNSA-N 2 1 368.477 3.329 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000568427422 505691457 /nfs/dbraw/zinc/69/14/57/505691457.db2.gz UUMVEMVBBVPROP-RLLQIKCJSA-N 2 1 352.478 3.327 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000069732937 494004559 /nfs/dbraw/zinc/00/45/59/494004559.db2.gz UBDGWTBKMJIJKB-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214656 494008447 /nfs/dbraw/zinc/00/84/47/494008447.db2.gz ULJASLYBQINFEB-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214656 494008451 /nfs/dbraw/zinc/00/84/51/494008451.db2.gz ULJASLYBQINFEB-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214656 494008455 /nfs/dbraw/zinc/00/84/55/494008455.db2.gz ULJASLYBQINFEB-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000063586597 494066732 /nfs/dbraw/zinc/06/67/32/494066732.db2.gz KSNLNFSTRYCMMI-FQEVSTJZSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085362699 494116398 /nfs/dbraw/zinc/11/63/98/494116398.db2.gz XSEBRIBWUWCXDT-HBFSDRIKSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065549604 494212254 /nfs/dbraw/zinc/21/22/54/494212254.db2.gz FHEWRQXTIBVZTG-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000065549604 494212257 /nfs/dbraw/zinc/21/22/57/494212257.db2.gz FHEWRQXTIBVZTG-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1 ZINC000568495063 505708536 /nfs/dbraw/zinc/70/85/36/505708536.db2.gz RHDKHRUXHQWCRA-LVCYWYKZSA-N 2 1 357.542 3.331 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000054509431 494242281 /nfs/dbraw/zinc/24/22/81/494242281.db2.gz PNCKPWKXPNRVMJ-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000042929581 494252955 /nfs/dbraw/zinc/25/29/55/494252955.db2.gz VPEAPUZRBFCNFR-MOPGFXCFSA-N 2 1 372.557 3.071 20 0 FGADMP C(CC[NH+]1CCC2(C1)CCOCC2)CC[N@H+]1CCC2(C1)CCOCC2 ZINC000072898821 494278484 /nfs/dbraw/zinc/27/84/84/494278484.db2.gz GKVPCIJTLOQKBV-UHFFFAOYSA-N 2 1 350.547 3.162 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000043239796 494279152 /nfs/dbraw/zinc/27/91/52/494279152.db2.gz IJYHRNBGWZSYLH-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000043239796 494279156 /nfs/dbraw/zinc/27/91/56/494279156.db2.gz IJYHRNBGWZSYLH-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000043239796 494279162 /nfs/dbraw/zinc/27/91/62/494279162.db2.gz IJYHRNBGWZSYLH-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)CC1 ZINC000571350403 505712300 /nfs/dbraw/zinc/71/23/00/505712300.db2.gz TZXLLYAVKFOBJE-HOTGVXAUSA-N 2 1 370.884 3.229 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000571350402 505712730 /nfs/dbraw/zinc/71/27/30/505712730.db2.gz TZXLLYAVKFOBJE-CVEARBPZSA-N 2 1 370.884 3.229 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512032 505712903 /nfs/dbraw/zinc/71/29/03/505712903.db2.gz GQEZXLCFSPIYHY-PLNCSYRRSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512032 505712904 /nfs/dbraw/zinc/71/29/04/505712904.db2.gz GQEZXLCFSPIYHY-PLNCSYRRSA-N 2 1 370.324 3.230 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000044291899 494347426 /nfs/dbraw/zinc/34/74/26/494347426.db2.gz PJWBSRVARURCNW-HXUWFJFHSA-N 2 1 352.482 3.144 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000580256989 505715508 /nfs/dbraw/zinc/71/55/08/505715508.db2.gz RUJRAGKOJJDLHU-HXUWFJFHSA-N 2 1 374.573 3.065 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000580256989 505715510 /nfs/dbraw/zinc/71/55/10/505715510.db2.gz RUJRAGKOJJDLHU-HXUWFJFHSA-N 2 1 374.573 3.065 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000580256989 505715513 /nfs/dbraw/zinc/71/55/13/505715513.db2.gz RUJRAGKOJJDLHU-HXUWFJFHSA-N 2 1 374.573 3.065 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000066568462 494357348 /nfs/dbraw/zinc/35/73/48/494357348.db2.gz VDBHRQKBXJFXNW-FQEVSTJZSA-N 2 1 371.569 3.274 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000078799684 494363992 /nfs/dbraw/zinc/36/39/92/494363992.db2.gz VPBBOICFRQISAP-SFTDATJTSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000078799684 494363995 /nfs/dbraw/zinc/36/39/95/494363995.db2.gz VPBBOICFRQISAP-SFTDATJTSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000078799684 494363999 /nfs/dbraw/zinc/36/39/99/494363999.db2.gz VPBBOICFRQISAP-SFTDATJTSA-N 2 1 357.542 3.420 20 0 FGADMP COc1cc(-c2noc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)ccc1C ZINC000577382646 505717603 /nfs/dbraw/zinc/71/76/03/505717603.db2.gz HGLKBMHMIFLZRK-OAHLLOKOSA-N 2 1 356.470 3.018 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)c1 ZINC000571372899 505717717 /nfs/dbraw/zinc/71/77/17/505717717.db2.gz UXFOUNGYOQNEEE-IBGZPJMESA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000571372899 505717721 /nfs/dbraw/zinc/71/77/21/505717721.db2.gz UXFOUNGYOQNEEE-IBGZPJMESA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000571372899 505717725 /nfs/dbraw/zinc/71/77/25/505717725.db2.gz UXFOUNGYOQNEEE-IBGZPJMESA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)C4(CCC4)C3)CC2)CC1 ZINC000574217806 505723052 /nfs/dbraw/zinc/72/30/52/505723052.db2.gz WCNINRUXDGRWOZ-GOSISDBHSA-N 2 1 361.574 3.221 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000073898580 494445463 /nfs/dbraw/zinc/44/54/63/494445463.db2.gz AOTUYINVWGVNGO-MSOLQXFVSA-N 2 1 364.534 3.178 20 0 FGADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079394212 494446160 /nfs/dbraw/zinc/44/61/60/494446160.db2.gz HKYYRDQFOVGSQG-HXUWFJFHSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079394212 494446162 /nfs/dbraw/zinc/44/61/62/494446162.db2.gz HKYYRDQFOVGSQG-HXUWFJFHSA-N 2 1 372.557 3.026 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000074162394 494490595 /nfs/dbraw/zinc/49/05/95/494490595.db2.gz AAPQMYFDXQOCBP-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000074162394 494490599 /nfs/dbraw/zinc/49/05/99/494490599.db2.gz AAPQMYFDXQOCBP-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000074162394 494490603 /nfs/dbraw/zinc/49/06/03/494490603.db2.gz AAPQMYFDXQOCBP-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074446645 494537904 /nfs/dbraw/zinc/53/79/04/494537904.db2.gz FMIOJPVDQQLDDP-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000074490524 494546563 /nfs/dbraw/zinc/54/65/63/494546563.db2.gz AECFSITVEWGELE-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000074490524 494546566 /nfs/dbraw/zinc/54/65/66/494546566.db2.gz AECFSITVEWGELE-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000074490524 494546568 /nfs/dbraw/zinc/54/65/68/494546568.db2.gz AECFSITVEWGELE-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccncc1 ZINC000067507192 494553684 /nfs/dbraw/zinc/55/36/84/494553684.db2.gz UYVBLISOEBCENA-HXUWFJFHSA-N 2 1 369.509 3.489 20 0 FGADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571416065 505728459 /nfs/dbraw/zinc/72/84/59/505728459.db2.gz GPXZIWHPOSOHMB-FQEVSTJZSA-N 2 1 371.550 3.160 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000092587141 494676776 /nfs/dbraw/zinc/67/67/76/494676776.db2.gz OKJINIIFUGQVJT-HDICACEKSA-N 2 1 368.525 3.398 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121414125 494746131 /nfs/dbraw/zinc/74/61/31/494746131.db2.gz NMGATNQLOJZVFS-HNNXBMFYSA-N 2 1 374.916 3.375 20 0 FGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080616922 494748607 /nfs/dbraw/zinc/74/86/07/494748607.db2.gz PELLDUHGPMFAFK-WMZOPIPTSA-N 2 1 356.514 3.006 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCCCCC1 ZINC000092821316 494763339 /nfs/dbraw/zinc/76/33/39/494763339.db2.gz VEOKVGXLNSQYJB-UHFFFAOYSA-N 2 1 358.530 3.023 20 0 FGADMP C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000075490926 494775648 /nfs/dbraw/zinc/77/56/48/494775648.db2.gz UUMWYWBBAAOHMX-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000116435249 494786084 /nfs/dbraw/zinc/78/60/84/494786084.db2.gz YPEROQFKBUDAAO-IBGZPJMESA-N 2 1 361.555 3.357 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000108811088 494790744 /nfs/dbraw/zinc/79/07/44/494790744.db2.gz SYNVGQQPYSYJIE-QUCCMNQESA-N 2 1 370.541 3.092 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000108884391 494799401 /nfs/dbraw/zinc/79/94/01/494799401.db2.gz IIWHGTLRNUCEDO-SFHVURJKSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560883 494814712 /nfs/dbraw/zinc/81/47/12/494814712.db2.gz SXMUPGBOZIQHPK-OALUTQOASA-N 2 1 372.557 3.195 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])[C@H]1c1cccs1 ZINC000577525882 505744666 /nfs/dbraw/zinc/74/46/66/505744666.db2.gz NZSVDSIBWZJSLT-LPHOPBHVSA-N 2 1 357.523 3.062 20 0 FGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000027003009 494848234 /nfs/dbraw/zinc/84/82/34/494848234.db2.gz PIZIVAMLQVPZLG-OAQYLSRUSA-N 2 1 351.494 3.235 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)CC1 ZINC000093639079 494906341 /nfs/dbraw/zinc/90/63/41/494906341.db2.gz XQWFPMUAOVTIRZ-RBBKRZOGSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000093639079 494906343 /nfs/dbraw/zinc/90/63/43/494906343.db2.gz XQWFPMUAOVTIRZ-RBBKRZOGSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000093639079 494906344 /nfs/dbraw/zinc/90/63/44/494906344.db2.gz XQWFPMUAOVTIRZ-RBBKRZOGSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000093639079 494906346 /nfs/dbraw/zinc/90/63/46/494906346.db2.gz XQWFPMUAOVTIRZ-RBBKRZOGSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000093639079 494906347 /nfs/dbraw/zinc/90/63/47/494906347.db2.gz XQWFPMUAOVTIRZ-RBBKRZOGSA-N 2 1 372.601 3.381 20 0 FGADMP CC(C)C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000132907099 494941160 /nfs/dbraw/zinc/94/11/60/494941160.db2.gz KCAYPYWYFDNXDC-OAQYLSRUSA-N 2 1 360.590 3.283 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000132922546 494943818 /nfs/dbraw/zinc/94/38/18/494943818.db2.gz MXHZHCYXUKVXRL-GJZGRUSLSA-N 2 1 354.441 3.440 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132931805 494945069 /nfs/dbraw/zinc/94/50/69/494945069.db2.gz RFTTZVMCWSLNLX-WBVHZDCISA-N 2 1 371.447 3.304 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cc(C(N)=O)cs1 ZINC000133037211 494959172 /nfs/dbraw/zinc/95/91/72/494959172.db2.gz CKUOXWKHIKCNFM-UHFFFAOYSA-N 2 1 369.490 3.362 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)C(C)C ZINC000127600593 494968374 /nfs/dbraw/zinc/96/83/74/494968374.db2.gz LVCGINOGLXSYFP-HXUWFJFHSA-N 2 1 357.542 3.475 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028784 /nfs/dbraw/zinc/02/87/84/495028784.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028788 /nfs/dbraw/zinc/02/87/88/495028788.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028791 /nfs/dbraw/zinc/02/87/91/495028791.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028794 /nfs/dbraw/zinc/02/87/94/495028794.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122774211 495028796 /nfs/dbraw/zinc/02/87/96/495028796.db2.gz YDAXFPWPTPOECV-NFBKMPQASA-N 2 1 373.585 3.161 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118842163 495046596 /nfs/dbraw/zinc/04/65/96/495046596.db2.gz ONCAOPIKQCMLIV-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118842163 495046598 /nfs/dbraw/zinc/04/65/98/495046598.db2.gz ONCAOPIKQCMLIV-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842163 495046599 /nfs/dbraw/zinc/04/65/99/495046599.db2.gz ONCAOPIKQCMLIV-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868097 495050946 /nfs/dbraw/zinc/05/09/46/495050946.db2.gz SCPBXRSRAQRSCB-AWEZNQCLSA-N 2 1 367.921 3.339 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000128146308 495052336 /nfs/dbraw/zinc/05/23/36/495052336.db2.gz SORUVBLNCOCWBS-SFHVURJKSA-N 2 1 359.449 3.007 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000128146308 495052339 /nfs/dbraw/zinc/05/23/39/495052339.db2.gz SORUVBLNCOCWBS-SFHVURJKSA-N 2 1 359.449 3.007 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241147 495053021 /nfs/dbraw/zinc/05/30/21/495053021.db2.gz LSTODCSXCJBFII-OAQYLSRUSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000098093311 495053508 /nfs/dbraw/zinc/05/35/08/495053508.db2.gz MTDCBCULCGKIPW-OAQYLSRUSA-N 2 1 351.494 3.029 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCCO4)CC2)[nH+]1 ZINC000128162260 495054567 /nfs/dbraw/zinc/05/45/67/495054567.db2.gz DBRCFGHCMAJWNW-MRXNPFEDSA-N 2 1 353.466 3.481 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000123137887 495086489 /nfs/dbraw/zinc/08/64/89/495086489.db2.gz ZMIOCQNYBPKQIH-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000123137887 495086491 /nfs/dbraw/zinc/08/64/91/495086491.db2.gz ZMIOCQNYBPKQIH-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123137887 495086493 /nfs/dbraw/zinc/08/64/93/495086493.db2.gz ZMIOCQNYBPKQIH-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123137887 495086494 /nfs/dbraw/zinc/08/64/94/495086494.db2.gz ZMIOCQNYBPKQIH-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP CN(c1ccccc1CN[C@@H]1CC[N@H+](C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134029235 495095727 /nfs/dbraw/zinc/09/57/27/495095727.db2.gz GZHMYNMERXUTOU-HXUWFJFHSA-N 2 1 370.585 3.324 20 0 FGADMP CN(c1ccccc1C[NH2+][C@@H]1CCN(C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134029235 495095730 /nfs/dbraw/zinc/09/57/30/495095730.db2.gz GZHMYNMERXUTOU-HXUWFJFHSA-N 2 1 370.585 3.324 20 0 FGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128514098 495109173 /nfs/dbraw/zinc/10/91/73/495109173.db2.gz MQZVLUDFEMOYDA-OAHLLOKOSA-N 2 1 352.592 3.427 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123327662 495115052 /nfs/dbraw/zinc/11/50/52/495115052.db2.gz RDYBNAUZJWDOAB-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123327662 495115054 /nfs/dbraw/zinc/11/50/54/495115054.db2.gz RDYBNAUZJWDOAB-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123327662 495115057 /nfs/dbraw/zinc/11/50/57/495115057.db2.gz RDYBNAUZJWDOAB-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123327662 495115060 /nfs/dbraw/zinc/11/50/60/495115060.db2.gz RDYBNAUZJWDOAB-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124449446 495289353 /nfs/dbraw/zinc/28/93/53/495289353.db2.gz BLZGQTKVJFEOLG-SFHVURJKSA-N 3 1 369.557 3.105 20 0 FGADMP COc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1SC ZINC000124491026 495296228 /nfs/dbraw/zinc/29/62/28/495296228.db2.gz FNZGNXLXZDNEJY-INIZCTEOSA-N 2 1 365.587 3.341 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000130021082 495329646 /nfs/dbraw/zinc/32/96/46/495329646.db2.gz ORRCJHWPENRTIW-RRWXTXHCSA-N 2 1 361.505 3.027 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000130021082 495329647 /nfs/dbraw/zinc/32/96/47/495329647.db2.gz ORRCJHWPENRTIW-RRWXTXHCSA-N 2 1 361.505 3.027 20 0 FGADMP c1csc(N2CCC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)CC2)n1 ZINC000124715692 495332033 /nfs/dbraw/zinc/33/20/33/495332033.db2.gz WXNUJUCGRURMHM-UHFFFAOYSA-N 2 1 356.539 3.366 20 0 FGADMP Brc1ccc2c(c1)[C@H](N[C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135574 495345862 /nfs/dbraw/zinc/34/58/62/495345862.db2.gz SMIQQLCUZBINGF-SQWLQELKSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135574 495345867 /nfs/dbraw/zinc/34/58/67/495345867.db2.gz SMIQQLCUZBINGF-SQWLQELKSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135574 495345870 /nfs/dbraw/zinc/34/58/70/495345870.db2.gz SMIQQLCUZBINGF-SQWLQELKSA-N 2 1 351.288 3.489 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2OCc2ccccc2)CC1 ZINC000105477072 495365620 /nfs/dbraw/zinc/36/56/20/495365620.db2.gz PHCGFKFGBSGPAM-UHFFFAOYSA-N 2 1 367.537 3.383 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000136307633 495371021 /nfs/dbraw/zinc/37/10/21/495371021.db2.gz SGLSFBBXWJWSCH-UHFFFAOYSA-N 2 1 357.376 3.491 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000136307633 495371026 /nfs/dbraw/zinc/37/10/26/495371026.db2.gz SGLSFBBXWJWSCH-UHFFFAOYSA-N 2 1 357.376 3.491 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000130397709 495386218 /nfs/dbraw/zinc/38/62/18/495386218.db2.gz KMSCBNPFDPMDHX-FQEVSTJZSA-N 2 1 356.514 3.417 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](CC(C)C)c1ccccc1 ZINC000130397709 495386222 /nfs/dbraw/zinc/38/62/22/495386222.db2.gz KMSCBNPFDPMDHX-FQEVSTJZSA-N 2 1 356.514 3.417 20 0 FGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC2OCCO2)CC1 ZINC000125159029 495399682 /nfs/dbraw/zinc/39/96/82/495399682.db2.gz ASQZPHVKCHQLRZ-UHFFFAOYSA-N 2 1 372.431 3.365 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](CCC2OCCO2)CC1 ZINC000125159029 495399687 /nfs/dbraw/zinc/39/96/87/495399687.db2.gz ASQZPHVKCHQLRZ-UHFFFAOYSA-N 2 1 372.431 3.365 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000130497182 495400838 /nfs/dbraw/zinc/40/08/38/495400838.db2.gz XCVRLKJBCZLNGL-MRXNPFEDSA-N 2 1 368.481 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1cc2ccccc2o1 ZINC000130497182 495400839 /nfs/dbraw/zinc/40/08/39/495400839.db2.gz XCVRLKJBCZLNGL-MRXNPFEDSA-N 2 1 368.481 3.479 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1 ZINC000106166276 495422966 /nfs/dbraw/zinc/42/29/66/495422966.db2.gz LPHMVEXYJHBQJU-HOTGVXAUSA-N 2 1 372.488 3.080 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656830 505784138 /nfs/dbraw/zinc/78/41/38/505784138.db2.gz KLSDZLNQRFASNN-LAUBAEHRSA-N 2 1 368.525 3.259 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000131112350 495493956 /nfs/dbraw/zinc/49/39/56/495493956.db2.gz RJVRXGVQPQCUOB-SFHVURJKSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791237 495497743 /nfs/dbraw/zinc/49/77/43/495497743.db2.gz DHPMDBHGGYJLCD-IBGZPJMESA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791237 495497746 /nfs/dbraw/zinc/49/77/46/495497746.db2.gz DHPMDBHGGYJLCD-IBGZPJMESA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791237 495497749 /nfs/dbraw/zinc/49/77/49/495497749.db2.gz DHPMDBHGGYJLCD-IBGZPJMESA-N 2 1 355.526 3.418 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000158909660 495613866 /nfs/dbraw/zinc/61/38/66/495613866.db2.gz FIDCVMPMNFEIPD-XMSQKQJNSA-N 2 1 353.510 3.492 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159012075 495637097 /nfs/dbraw/zinc/63/70/97/495637097.db2.gz YQCJCWISPZHLJX-ICSRJNTNSA-N 2 1 354.498 3.203 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000159012075 495637103 /nfs/dbraw/zinc/63/71/03/495637103.db2.gz YQCJCWISPZHLJX-ICSRJNTNSA-N 2 1 354.498 3.203 20 0 FGADMP Cc1ccncc1CCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000580602713 505794204 /nfs/dbraw/zinc/79/42/04/505794204.db2.gz MVAMENLNSCQIRO-LJQANCHMSA-N 2 1 353.510 3.333 20 0 FGADMP Cc1ccncc1CCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000580602713 505794207 /nfs/dbraw/zinc/79/42/07/505794207.db2.gz MVAMENLNSCQIRO-LJQANCHMSA-N 2 1 353.510 3.333 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000176399797 495638550 /nfs/dbraw/zinc/63/85/50/495638550.db2.gz KRCSEBJTVGQTNN-HKBOAZHASA-N 2 1 370.541 3.092 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000179587529 495650387 /nfs/dbraw/zinc/65/03/87/495650387.db2.gz BBIJFAACKAACLJ-IEBWSBKVSA-N 2 1 363.933 3.464 20 0 FGADMP COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c2ccccc12 ZINC000577800203 505795158 /nfs/dbraw/zinc/79/51/58/505795158.db2.gz LCAVLDQXYRIDEA-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000176476402 495664506 /nfs/dbraw/zinc/66/45/06/495664506.db2.gz ZZAPYLKNRNUJJR-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000176476402 495664512 /nfs/dbraw/zinc/66/45/12/495664512.db2.gz ZZAPYLKNRNUJJR-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000176476402 495664515 /nfs/dbraw/zinc/66/45/15/495664515.db2.gz ZZAPYLKNRNUJJR-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173747015 495674482 /nfs/dbraw/zinc/67/44/82/495674482.db2.gz ACWXGTISJHWHDG-NQIIRXRSSA-N 2 1 372.557 3.084 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680031 495676509 /nfs/dbraw/zinc/67/65/09/495676509.db2.gz MJENWZQSPKOPDI-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680031 495676514 /nfs/dbraw/zinc/67/65/14/495676514.db2.gz MJENWZQSPKOPDI-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(C[NH+](C)C)c(F)c1)c1ccccc1 ZINC000154638461 495680794 /nfs/dbraw/zinc/68/07/94/495680794.db2.gz VNMHBCLGNZUERF-FQEVSTJZSA-N 2 1 357.473 3.197 20 0 FGADMP COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730966 495701543 /nfs/dbraw/zinc/70/15/43/495701543.db2.gz NOUJJJVFBXCWTG-IRXDYDNUSA-N 2 1 360.498 3.095 20 0 FGADMP c1cnn(-c2cc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)ccn2)c1 ZINC000151091404 495734615 /nfs/dbraw/zinc/73/46/15/495734615.db2.gz GJWPMYFZQAARFO-UHFFFAOYSA-N 2 1 361.493 3.064 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Cl)CC2)CC1 ZINC000154836490 495743304 /nfs/dbraw/zinc/74/33/04/495743304.db2.gz BVEZUNCSXPVEIF-UHFFFAOYSA-N 2 1 365.949 3.005 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000182900385 495747651 /nfs/dbraw/zinc/74/76/51/495747651.db2.gz OODKKABMJIXQGN-NRFANRHFSA-N 2 1 361.599 3.412 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000182900385 495747660 /nfs/dbraw/zinc/74/76/60/495747660.db2.gz OODKKABMJIXQGN-NRFANRHFSA-N 2 1 361.599 3.412 20 0 FGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182953386 495773240 /nfs/dbraw/zinc/77/32/40/495773240.db2.gz AJASCEUHHWVXAI-OAHLLOKOSA-N 2 1 354.336 3.079 20 0 FGADMP Cc1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182965602 495778571 /nfs/dbraw/zinc/77/85/71/495778571.db2.gz QKIJROAGSPTBDX-VQTJNVASSA-N 2 1 370.541 3.458 20 0 FGADMP Cc1ccc(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182965602 495778574 /nfs/dbraw/zinc/77/85/74/495778574.db2.gz QKIJROAGSPTBDX-VQTJNVASSA-N 2 1 370.541 3.458 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000577846770 505803218 /nfs/dbraw/zinc/80/32/18/505803218.db2.gz ZIBWPFOJGITETD-BFYDXBDKSA-N 2 1 351.560 3.271 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1F ZINC000179939869 495792598 /nfs/dbraw/zinc/79/25/98/495792598.db2.gz GRWVBUOANRKQPW-INIZCTEOSA-N 2 1 350.482 3.014 20 0 FGADMP O=C1[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)cc1Cl ZINC000580646513 505805182 /nfs/dbraw/zinc/80/51/82/505805182.db2.gz JBUZYZSTGHXYJV-IIYDPXPESA-N 2 1 368.308 3.030 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(-n4cccn4)cc3)CC2)C[C@H](C)O1 ZINC000171303644 495812082 /nfs/dbraw/zinc/81/20/82/495812082.db2.gz JUSINGJLQRPJSB-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cn3ccccc3n2)CC1 ZINC000151366264 495816626 /nfs/dbraw/zinc/81/66/26/495816626.db2.gz ZCHCWFQNLUHGEW-UHFFFAOYSA-N 2 1 363.509 3.156 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151381379 495822267 /nfs/dbraw/zinc/82/22/67/495822267.db2.gz WNGURDVHNWYJKV-QGZVFWFLSA-N 2 1 358.404 3.009 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155070035 495823937 /nfs/dbraw/zinc/82/39/37/495823937.db2.gz HZWNWDRQKBWUMF-TZIWHRDSSA-N 2 1 374.573 3.413 20 0 FGADMP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156719 495840947 /nfs/dbraw/zinc/84/09/47/495840947.db2.gz APFPAXFVNYVGNN-SJORKVTESA-N 2 1 357.498 3.304 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000183135821 495848985 /nfs/dbraw/zinc/84/89/85/495848985.db2.gz IFWTZSLJNIIYLZ-FDFHNCONSA-N 2 1 352.526 3.243 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000577869718 505809040 /nfs/dbraw/zinc/80/90/40/505809040.db2.gz YYCHYIGUZWGQDC-UHFFFAOYSA-N 2 1 351.292 3.032 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000577869718 505809043 /nfs/dbraw/zinc/80/90/43/505809043.db2.gz YYCHYIGUZWGQDC-UHFFFAOYSA-N 2 1 351.292 3.032 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000177051276 495901418 /nfs/dbraw/zinc/90/14/18/495901418.db2.gz CGPFEWXSQWOYOO-RBBKRZOGSA-N 2 1 360.542 3.248 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180242627 495922050 /nfs/dbraw/zinc/92/20/50/495922050.db2.gz XIUKRBJLFFHLII-AYHJJNSGSA-N 2 1 362.518 3.492 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC3 ZINC000180452864 496002296 /nfs/dbraw/zinc/00/22/96/496002296.db2.gz DCOQHHCJHVAJDK-IBGZPJMESA-N 2 1 368.569 3.197 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1C ZINC000577918814 505817268 /nfs/dbraw/zinc/81/72/68/505817268.db2.gz GKYMADFHFZSIOJ-FQEVSTJZSA-N 2 1 369.509 3.202 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1C ZINC000577918814 505817271 /nfs/dbraw/zinc/81/72/71/505817271.db2.gz GKYMADFHFZSIOJ-FQEVSTJZSA-N 2 1 369.509 3.202 20 0 FGADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCc1ccccc1C[NH+]1CCCC1)C2 ZINC000174576563 496017532 /nfs/dbraw/zinc/01/75/32/496017532.db2.gz LIKCNWCWGIPJGK-SEJPIABJSA-N 2 1 370.541 3.097 20 0 FGADMP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000177427455 496058212 /nfs/dbraw/zinc/05/82/12/496058212.db2.gz GBIMPNXRTRDKNV-LVCYWYKZSA-N 2 1 357.542 3.263 20 0 FGADMP Brc1cncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000186619527 496075131 /nfs/dbraw/zinc/07/51/31/496075131.db2.gz INUWWJMSIFPQHC-KRWDZBQOSA-N 2 1 374.326 3.498 20 0 FGADMP Brc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000186619527 496075134 /nfs/dbraw/zinc/07/51/34/496075134.db2.gz INUWWJMSIFPQHC-KRWDZBQOSA-N 2 1 374.326 3.498 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000568979947 505822877 /nfs/dbraw/zinc/82/28/77/505822877.db2.gz QMDHAVMGLGNYET-LVCYWYKZSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000568979941 505823205 /nfs/dbraw/zinc/82/32/05/505823205.db2.gz QMDHAVMGLGNYET-DBXWQHBBSA-N 2 1 357.542 3.442 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838571 496132036 /nfs/dbraw/zinc/13/20/36/496132036.db2.gz DYKYPCJYGJYYGY-BBWFWOEESA-N 2 1 374.529 3.085 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)Nc3cccc(C[NH+](C)C)c3)CC2)[nH+]1 ZINC000172049178 496140880 /nfs/dbraw/zinc/14/08/80/496140880.db2.gz ZJRDBLKTGJRDAI-UHFFFAOYSA-N 2 1 367.497 3.242 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000177716898 496170457 /nfs/dbraw/zinc/17/04/57/496170457.db2.gz OBKLOCJPGTZLLL-OAQYLSRUSA-N 2 1 373.516 3.079 20 0 FGADMP C[C@H](CC[NH2+]C1CCN(C(=O)c2ccco2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000156231557 496194062 /nfs/dbraw/zinc/19/40/62/496194062.db2.gz OUUNELCYZNZSGC-GOSISDBHSA-N 2 1 369.509 3.384 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000152627984 496207506 /nfs/dbraw/zinc/20/75/06/496207506.db2.gz VKBAABLKMLLAGT-CMKODMSKSA-N 2 1 360.542 3.370 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000574684408 505831390 /nfs/dbraw/zinc/83/13/90/505831390.db2.gz MPEVTRLDUZKSDW-OALUTQOASA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000574684408 505831394 /nfs/dbraw/zinc/83/13/94/505831394.db2.gz MPEVTRLDUZKSDW-OALUTQOASA-N 2 1 374.550 3.298 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000152756677 496247544 /nfs/dbraw/zinc/24/75/44/496247544.db2.gz INKQQJSJXVOLSY-FVELJTHGSA-N 2 1 364.578 3.011 20 0 FGADMP C[NH+]1CCC([NH2+]CC2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000177913773 496249520 /nfs/dbraw/zinc/24/95/20/496249520.db2.gz KSRBLJHHQKDCCF-UHFFFAOYSA-N 2 1 367.331 3.181 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187056378 496272817 /nfs/dbraw/zinc/27/28/17/496272817.db2.gz UESCYAGBMNXTID-NRFANRHFSA-N 2 1 372.557 3.069 20 0 FGADMP Clc1cnn2cc(CC[NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)cnc12 ZINC000580768030 505833906 /nfs/dbraw/zinc/83/39/06/505833906.db2.gz JGKAWXHWPDLBBG-SJLPKXTDSA-N 2 1 355.873 3.008 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582475 496284016 /nfs/dbraw/zinc/28/40/16/496284016.db2.gz NIBMLDWLIRJZPN-HUBLWGQQSA-N 2 1 358.267 3.425 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582475 496284018 /nfs/dbraw/zinc/28/40/18/496284018.db2.gz NIBMLDWLIRJZPN-HUBLWGQQSA-N 2 1 358.267 3.425 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000172431662 496295213 /nfs/dbraw/zinc/29/52/13/496295213.db2.gz NRNYRUBRNSQSIA-UHFFFAOYSA-N 2 1 367.484 3.025 20 0 FGADMP [NH3+]CC1(CC(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCCC1 ZINC000184230470 496295910 /nfs/dbraw/zinc/29/59/10/496295910.db2.gz ATTCLQQMQFPNPF-UHFFFAOYSA-N 2 1 361.555 3.473 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000162183362 496310385 /nfs/dbraw/zinc/31/03/85/496310385.db2.gz LUGOOLKAEYTKAN-QGZVFWFLSA-N 2 1 355.320 3.290 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@H](CO)c1cccc(Br)c1 ZINC000162183362 496310390 /nfs/dbraw/zinc/31/03/90/496310390.db2.gz LUGOOLKAEYTKAN-QGZVFWFLSA-N 2 1 355.320 3.290 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn(C)nc3C)CC2)cs1 ZINC000178092455 496327144 /nfs/dbraw/zinc/32/71/44/496327144.db2.gz MDWMKUSYXIXRBK-AWEZNQCLSA-N 2 1 361.559 3.310 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000577998542 505838046 /nfs/dbraw/zinc/83/80/46/505838046.db2.gz VMAJFUPPKDUYPG-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000577998542 505838051 /nfs/dbraw/zinc/83/80/51/505838051.db2.gz VMAJFUPPKDUYPG-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1cccc(N2CCC([NH2+]Cc3ccc4c(c3)CCC(=O)N4C)CC2)[nH+]1 ZINC000187247683 496359256 /nfs/dbraw/zinc/35/92/56/496359256.db2.gz LHYJSRJHFGLOQI-UHFFFAOYSA-N 2 1 364.493 3.058 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C12CCCC2 ZINC000181415845 496385517 /nfs/dbraw/zinc/38/55/17/496385517.db2.gz DINOQUMMEUVERF-NHCUHLMSSA-N 2 1 358.526 3.346 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157055662 496394432 /nfs/dbraw/zinc/39/44/32/496394432.db2.gz RACRKCUZGZWPCF-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157055662 496394439 /nfs/dbraw/zinc/39/44/39/496394439.db2.gz RACRKCUZGZWPCF-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055662 496394443 /nfs/dbraw/zinc/39/44/43/496394443.db2.gz RACRKCUZGZWPCF-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055662 496394448 /nfs/dbraw/zinc/39/44/48/496394448.db2.gz RACRKCUZGZWPCF-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000162778916 496411702 /nfs/dbraw/zinc/41/17/02/496411702.db2.gz GCCBHWLFPFTKEB-HXUWFJFHSA-N 2 1 357.542 3.137 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000175533775 496430639 /nfs/dbraw/zinc/43/06/39/496430639.db2.gz NDDIUTDEMQMZJK-QZTJIDSGSA-N 2 1 363.550 3.029 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1 ZINC000178453261 496462090 /nfs/dbraw/zinc/46/20/90/496462090.db2.gz AOFKLYBHXKWYKO-HNNXBMFYSA-N 2 1 366.440 3.400 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000175631427 496474547 /nfs/dbraw/zinc/47/45/47/496474547.db2.gz OOWSRDOBLLZGHY-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000175641956 496479306 /nfs/dbraw/zinc/47/93/06/496479306.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000175641956 496479313 /nfs/dbraw/zinc/47/93/13/496479313.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000175641956 496479318 /nfs/dbraw/zinc/47/93/18/496479318.db2.gz QNTQDWKCCSDOGA-KOUHRCEDSA-N 2 1 372.557 3.164 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)[nH+]c1 ZINC000163508015 496525131 /nfs/dbraw/zinc/52/51/31/496525131.db2.gz XNBUSWORJTUAIF-CPJLOUKISA-N 2 1 357.523 3.447 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)cc1 ZINC000178653583 496530745 /nfs/dbraw/zinc/53/07/45/496530745.db2.gz OIFAOTUPEJTXHH-HTAPYJJXSA-N 2 1 365.477 3.409 20 0 FGADMP [NH3+]C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000178674558 496536332 /nfs/dbraw/zinc/53/63/32/496536332.db2.gz RBYXFCARGOORLC-HXUWFJFHSA-N 2 1 371.912 3.117 20 0 FGADMP [NH3+]C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000178674558 496536336 /nfs/dbraw/zinc/53/63/36/496536336.db2.gz RBYXFCARGOORLC-HXUWFJFHSA-N 2 1 371.912 3.117 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178697287 496544177 /nfs/dbraw/zinc/54/41/77/496544177.db2.gz SEYJOBGCNUIQES-CABCVRRESA-N 2 1 355.486 3.462 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000178734785 496555514 /nfs/dbraw/zinc/55/55/14/496555514.db2.gz HVYOQAROHXLSPY-XLIONFOSSA-N 2 1 361.530 3.069 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000157825582 496563485 /nfs/dbraw/zinc/56/34/85/496563485.db2.gz AWTGYYNCSARVBG-IBGZPJMESA-N 2 1 374.573 3.304 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000157825582 496563491 /nfs/dbraw/zinc/56/34/91/496563491.db2.gz AWTGYYNCSARVBG-IBGZPJMESA-N 2 1 374.573 3.304 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000157825582 496563495 /nfs/dbraw/zinc/56/34/95/496563495.db2.gz AWTGYYNCSARVBG-IBGZPJMESA-N 2 1 374.573 3.304 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136795 496565487 /nfs/dbraw/zinc/56/54/87/496565487.db2.gz MULAYHLHGBZNNJ-QKLQHJQFSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136795 496565495 /nfs/dbraw/zinc/56/54/95/496565495.db2.gz MULAYHLHGBZNNJ-QKLQHJQFSA-N 2 1 374.529 3.026 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CC[C@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000569096148 505852060 /nfs/dbraw/zinc/85/20/60/505852060.db2.gz NQIAFIWHEJVCNR-SFGWALBWSA-N 2 1 366.509 3.480 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000157929008 496588154 /nfs/dbraw/zinc/58/81/54/496588154.db2.gz UYOADKHDJJBDAD-CABCVRRESA-N 2 1 357.340 3.136 20 0 FGADMP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953277 505853967 /nfs/dbraw/zinc/85/39/67/505853967.db2.gz OILQMCWWBMJPIC-MJGOQNOKSA-N 2 1 365.587 3.457 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000574787591 505855479 /nfs/dbraw/zinc/85/54/79/505855479.db2.gz YTRBMXGIOOWLQI-IRXDYDNUSA-N 2 1 364.921 3.046 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000574787591 505855483 /nfs/dbraw/zinc/85/54/83/505855483.db2.gz YTRBMXGIOOWLQI-IRXDYDNUSA-N 2 1 364.921 3.046 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000574787590 505855688 /nfs/dbraw/zinc/85/56/88/505855688.db2.gz YTRBMXGIOOWLQI-IAGOWNOFSA-N 2 1 364.921 3.046 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000574787590 505855691 /nfs/dbraw/zinc/85/56/91/505855691.db2.gz YTRBMXGIOOWLQI-IAGOWNOFSA-N 2 1 364.921 3.046 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158089882 496625577 /nfs/dbraw/zinc/62/55/77/496625577.db2.gz OCXIYGRTKZUUJX-DOTOQJQBSA-N 2 1 351.922 3.008 20 0 FGADMP c1cc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@@H]2c2ccncc2)ccn1 ZINC000153935914 496629405 /nfs/dbraw/zinc/62/94/05/496629405.db2.gz IWFQBOOOXZWIJE-FGZHOGPDSA-N 2 1 366.509 3.467 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000164845923 496636199 /nfs/dbraw/zinc/63/61/99/496636199.db2.gz MLERKNRHTSETOK-HDICACEKSA-N 2 1 357.542 3.170 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173310938 496637245 /nfs/dbraw/zinc/63/72/45/496637245.db2.gz SCQLRMZBTRYQRB-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363410 496658982 /nfs/dbraw/zinc/65/89/82/496658982.db2.gz PEFWJYHAMGTHRM-IUODEOHRSA-N 2 1 371.319 3.286 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363410 496658987 /nfs/dbraw/zinc/65/89/87/496658987.db2.gz PEFWJYHAMGTHRM-IUODEOHRSA-N 2 1 371.319 3.286 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)NC[C@@H](c1cccs1)[NH+](C)C)C2 ZINC000173365177 496660681 /nfs/dbraw/zinc/66/06/81/496660681.db2.gz ZAQBGFMNUQHXMG-BBWFWOEESA-N 2 1 364.559 3.008 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165534810 496661001 /nfs/dbraw/zinc/66/10/01/496661001.db2.gz LSLFFVPCGZVDTD-OPYAIIAOSA-N 2 1 369.509 3.358 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165534810 496661006 /nfs/dbraw/zinc/66/10/06/496661006.db2.gz LSLFFVPCGZVDTD-OPYAIIAOSA-N 2 1 369.509 3.358 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000182082675 496663412 /nfs/dbraw/zinc/66/34/12/496663412.db2.gz RBTGVCJTVDZCBB-LLGFUMIMSA-N 2 1 361.530 3.433 20 0 FGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000188070066 496670978 /nfs/dbraw/zinc/67/09/78/496670978.db2.gz WXMWLUYFQOMFQG-ZIFCJYIRSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000188070066 496670981 /nfs/dbraw/zinc/67/09/81/496670981.db2.gz WXMWLUYFQOMFQG-ZIFCJYIRSA-N 2 1 352.544 3.162 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H]1c1ccccc1 ZINC000179093057 496672253 /nfs/dbraw/zinc/67/22/53/496672253.db2.gz BXPHPYJJPGRYAX-QZTJIDSGSA-N 2 1 358.530 3.040 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000574804638 505859087 /nfs/dbraw/zinc/85/90/87/505859087.db2.gz OAFMIFLAJVIZFV-AEFFLSMTSA-N 2 1 364.534 3.145 20 0 FGADMP CN(C(=O)c1ccncc1)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166646611 496690989 /nfs/dbraw/zinc/69/09/89/496690989.db2.gz KAGFVTZXVSMISQ-PZJWPPBQSA-N 2 1 364.493 3.075 20 0 FGADMP CN(C(=O)c1ccncc1)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166646611 496690995 /nfs/dbraw/zinc/69/09/95/496690995.db2.gz KAGFVTZXVSMISQ-PZJWPPBQSA-N 2 1 364.493 3.075 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc2c(s1)CCCC2 ZINC000182269960 496723994 /nfs/dbraw/zinc/72/39/94/496723994.db2.gz ULTFFGRSXLIVBH-YJBOKZPZSA-N 2 1 371.550 3.439 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc2c(s1)CCCC2 ZINC000182269960 496723997 /nfs/dbraw/zinc/72/39/97/496723997.db2.gz ULTFFGRSXLIVBH-YJBOKZPZSA-N 2 1 371.550 3.439 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000263814550 496733534 /nfs/dbraw/zinc/73/35/34/496733534.db2.gz OADDMFMDAIUSFK-UHFFFAOYSA-N 2 1 362.271 3.410 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000246989189 496744438 /nfs/dbraw/zinc/74/44/38/496744438.db2.gz NZAJTBWUPWDCLF-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246989189 496744441 /nfs/dbraw/zinc/74/44/41/496744441.db2.gz NZAJTBWUPWDCLF-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246989189 496744445 /nfs/dbraw/zinc/74/44/45/496744445.db2.gz NZAJTBWUPWDCLF-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246989189 496744449 /nfs/dbraw/zinc/74/44/49/496744449.db2.gz NZAJTBWUPWDCLF-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247019997 496754130 /nfs/dbraw/zinc/75/41/30/496754130.db2.gz XWUZYHWABVZZSP-KXTWHKPSSA-N 2 1 374.573 3.125 20 0 FGADMP Cc1ccc([C@H](C)NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000247049631 496762852 /nfs/dbraw/zinc/76/28/52/496762852.db2.gz ZGEFCTXOGDKZFP-DWLFOUALSA-N 2 1 369.553 3.429 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000247054958 496764567 /nfs/dbraw/zinc/76/45/67/496764567.db2.gz PDRMLQNCGVYKHP-HZPDHXFCSA-N 2 1 350.503 3.483 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000194941473 496769031 /nfs/dbraw/zinc/76/90/31/496769031.db2.gz BZEOOQZATHPETR-UHFFFAOYSA-N 2 1 365.521 3.390 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000247067839 496769967 /nfs/dbraw/zinc/76/99/67/496769967.db2.gz MLHCXDCPPDEFTC-NHCUHLMSSA-N 2 1 360.542 3.302 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000247067839 496769972 /nfs/dbraw/zinc/76/99/72/496769972.db2.gz MLHCXDCPPDEFTC-NHCUHLMSSA-N 2 1 360.542 3.302 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000191478429 496777253 /nfs/dbraw/zinc/77/72/53/496777253.db2.gz GAMKRDUBQVVUJD-GOSISDBHSA-N 2 1 356.470 3.183 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000191478429 496777258 /nfs/dbraw/zinc/77/72/58/496777258.db2.gz GAMKRDUBQVVUJD-GOSISDBHSA-N 2 1 356.470 3.183 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492098 496782047 /nfs/dbraw/zinc/78/20/47/496782047.db2.gz UAXKAHVWJSTFID-UZLBHIALSA-N 2 1 370.541 3.364 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268795890 496788169 /nfs/dbraw/zinc/78/81/69/496788169.db2.gz ZTRJCCAYYIUDKP-GHTZIAJQSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268795890 496788172 /nfs/dbraw/zinc/78/81/72/496788172.db2.gz ZTRJCCAYYIUDKP-GHTZIAJQSA-N 2 1 357.542 3.134 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCS2 ZINC000191510526 496791129 /nfs/dbraw/zinc/79/11/29/496791129.db2.gz DGXGQOWQOSUYCD-IBGZPJMESA-N 2 1 363.571 3.095 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000191512268 496792641 /nfs/dbraw/zinc/79/26/41/496792641.db2.gz YJCOQTMBPVKGGY-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000191512268 496792648 /nfs/dbraw/zinc/79/26/48/496792648.db2.gz YJCOQTMBPVKGGY-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000191528159 496799482 /nfs/dbraw/zinc/79/94/82/496799482.db2.gz QSRWPCXIFNGTRU-JOCHJYFZSA-N 2 1 358.574 3.003 20 0 FGADMP Cn1c2ccc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000195045729 496802537 /nfs/dbraw/zinc/80/25/37/496802537.db2.gz IVKJNBFTGBRPOB-NVXWUHKLSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000195045729 496802542 /nfs/dbraw/zinc/80/25/42/496802542.db2.gz IVKJNBFTGBRPOB-NVXWUHKLSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2sc1=O ZINC000195045729 496802547 /nfs/dbraw/zinc/80/25/47/496802547.db2.gz IVKJNBFTGBRPOB-NVXWUHKLSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2sc1=O ZINC000195045729 496802552 /nfs/dbraw/zinc/80/25/52/496802552.db2.gz IVKJNBFTGBRPOB-NVXWUHKLSA-N 2 1 357.523 3.049 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000247224421 496809578 /nfs/dbraw/zinc/80/95/78/496809578.db2.gz RMZASWFNNBIZFW-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000247240616 496812642 /nfs/dbraw/zinc/81/26/42/496812642.db2.gz YXXZQEPYVSBECA-BFYDXBDKSA-N 2 1 366.347 3.348 20 0 FGADMP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000191588270 496823283 /nfs/dbraw/zinc/82/32/83/496823283.db2.gz YCSUQKVYEBKFJE-QHCPKHFHSA-N 2 1 370.512 3.334 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134443 496830638 /nfs/dbraw/zinc/83/06/38/496830638.db2.gz GDGJNBQPUYRTAG-QUCCMNQESA-N 2 1 361.493 3.440 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247320837 496834588 /nfs/dbraw/zinc/83/45/88/496834588.db2.gz HZWNWDRQKBWUMF-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000247324576 496835378 /nfs/dbraw/zinc/83/53/78/496835378.db2.gz LTDOROZUKUZTET-RTBURBONSA-N 2 1 372.557 3.195 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195388982 496909562 /nfs/dbraw/zinc/90/95/62/496909562.db2.gz QCFFBGZHOFAYBB-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc4ccccc4s3)CC2)CC1 ZINC000580943649 505873974 /nfs/dbraw/zinc/87/39/74/505873974.db2.gz LEDCKHHXNOKDRQ-UHFFFAOYSA-N 2 1 372.538 3.431 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574878180 505874407 /nfs/dbraw/zinc/87/44/07/505874407.db2.gz XNJVKDCOYPNYEE-GXTWGEPZSA-N 2 1 353.869 3.128 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035721 496945007 /nfs/dbraw/zinc/94/50/07/496945007.db2.gz LESCQYBXQRKXJK-HLAWJBBLSA-N 2 1 355.526 3.203 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000248149535 496963961 /nfs/dbraw/zinc/96/39/61/496963961.db2.gz QPNBYOYWSWRGDQ-MRHSLFKSSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000248149535 496963965 /nfs/dbraw/zinc/96/39/65/496963965.db2.gz QPNBYOYWSWRGDQ-MRHSLFKSSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248149535 496963973 /nfs/dbraw/zinc/96/39/73/496963973.db2.gz QPNBYOYWSWRGDQ-MRHSLFKSSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248149535 496963976 /nfs/dbraw/zinc/96/39/76/496963976.db2.gz QPNBYOYWSWRGDQ-MRHSLFKSSA-N 2 1 363.933 3.322 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248155062 496965594 /nfs/dbraw/zinc/96/55/94/496965594.db2.gz RFVKTOMOPCOLHK-QAPCUYQASA-N 2 1 374.554 3.401 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248177951 496969085 /nfs/dbraw/zinc/96/90/85/496969085.db2.gz VWRHHWWORKBIEA-USNOLKROSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248177951 496969090 /nfs/dbraw/zinc/96/90/90/496969090.db2.gz VWRHHWWORKBIEA-USNOLKROSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248177951 496969097 /nfs/dbraw/zinc/96/90/97/496969097.db2.gz VWRHHWWORKBIEA-USNOLKROSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248177951 496969099 /nfs/dbraw/zinc/96/90/99/496969099.db2.gz VWRHHWWORKBIEA-USNOLKROSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](CCNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000580961149 505877848 /nfs/dbraw/zinc/87/78/48/505877848.db2.gz KWVDCWAKMJAMMI-LJQANCHMSA-N 2 1 367.537 3.431 20 0 FGADMP CN(CCC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)c1cc[nH+]cc1 ZINC000574901193 505879354 /nfs/dbraw/zinc/87/93/54/505879354.db2.gz XABZZWVKQBFOQF-UHFFFAOYSA-N 2 1 366.509 3.079 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H](C)C1 ZINC000248566670 497042350 /nfs/dbraw/zinc/04/23/50/497042350.db2.gz OZTGZOCRVXKYMN-RTBURBONSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576862 497046614 /nfs/dbraw/zinc/04/66/14/497046614.db2.gz NQAMXSJOHDDRIL-DYXWJJEUSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576862 497046615 /nfs/dbraw/zinc/04/66/15/497046615.db2.gz NQAMXSJOHDDRIL-DYXWJJEUSA-N 2 1 371.569 3.285 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911716 505882211 /nfs/dbraw/zinc/88/22/11/505882211.db2.gz BQZIXADYKPACGR-MJGOQNOKSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911716 505882213 /nfs/dbraw/zinc/88/22/13/505882213.db2.gz BQZIXADYKPACGR-MJGOQNOKSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)SCC2 ZINC000274326866 497071517 /nfs/dbraw/zinc/07/15/17/497071517.db2.gz ABRPQMNFCSLGMO-LPHOPBHVSA-N 2 1 356.539 3.032 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723831 497089516 /nfs/dbraw/zinc/08/95/16/497089516.db2.gz UAXKAHVWJSTFID-OXJNMPFZSA-N 2 1 370.541 3.364 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248795610 497105539 /nfs/dbraw/zinc/10/55/39/497105539.db2.gz YTTQYTTYBLZRCV-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248795610 497105543 /nfs/dbraw/zinc/10/55/43/497105543.db2.gz YTTQYTTYBLZRCV-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248795610 497105549 /nfs/dbraw/zinc/10/55/49/497105549.db2.gz YTTQYTTYBLZRCV-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2n1 ZINC000189427467 497114926 /nfs/dbraw/zinc/11/49/26/497114926.db2.gz HCTFVLMIOARDNP-JOCHJYFZSA-N 2 1 361.489 3.400 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)[C@H](C)C1 ZINC000192442668 497115498 /nfs/dbraw/zinc/11/54/98/497115498.db2.gz PAKILKUYEVJOKF-QFUCXCTJSA-N 2 1 360.542 3.279 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248855039 497118716 /nfs/dbraw/zinc/11/87/16/497118716.db2.gz VSYNJOLFBSDIBS-NCXUSEDFSA-N 2 1 362.562 3.487 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000248855039 497118722 /nfs/dbraw/zinc/11/87/22/497118722.db2.gz VSYNJOLFBSDIBS-NCXUSEDFSA-N 2 1 362.562 3.487 20 0 FGADMP CCC1CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000236663248 497128393 /nfs/dbraw/zinc/12/83/93/497128393.db2.gz WQYXRXZUODYMGH-TWMPVWRBSA-N 2 1 357.542 3.442 20 0 FGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278497586 497135444 /nfs/dbraw/zinc/13/54/44/497135444.db2.gz LJLVUAVHGOEPOI-MSOLQXFVSA-N 2 1 361.530 3.057 20 0 FGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278497586 497135449 /nfs/dbraw/zinc/13/54/49/497135449.db2.gz LJLVUAVHGOEPOI-MSOLQXFVSA-N 2 1 361.530 3.057 20 0 FGADMP CC1(C)CCC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)CC1 ZINC000236743282 497140705 /nfs/dbraw/zinc/14/07/05/497140705.db2.gz SWPKRSLXQUZXPF-IBGZPJMESA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192582423 497156447 /nfs/dbraw/zinc/15/64/47/497156447.db2.gz KSKLUITWIFSOGF-XMSQKQJNSA-N 2 1 369.553 3.372 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1 ZINC000236880008 497161222 /nfs/dbraw/zinc/16/12/22/497161222.db2.gz JIYRVDPEHDYYMS-UHFFFAOYSA-N 2 1 365.521 3.076 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236895245 497164972 /nfs/dbraw/zinc/16/49/72/497164972.db2.gz VRIZSFKEYWYDGX-TZIWHRDSSA-N 2 1 371.569 3.383 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236942170 497170418 /nfs/dbraw/zinc/17/04/18/497170418.db2.gz IVQHWTCKPZQKNZ-BPAFIMBUSA-N 2 1 371.550 3.337 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236942170 497170422 /nfs/dbraw/zinc/17/04/22/497170422.db2.gz IVQHWTCKPZQKNZ-BPAFIMBUSA-N 2 1 371.550 3.337 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911331 497197585 /nfs/dbraw/zinc/19/75/85/497197585.db2.gz NFQXQIJJGTYZQD-OYNPSCLESA-N 2 1 357.542 3.134 20 0 FGADMP CCCOc1ccc2c(c1)CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000192774778 497211348 /nfs/dbraw/zinc/21/13/48/497211348.db2.gz QQLBJHJIYYMPSJ-UHFFFAOYSA-N 2 1 359.558 3.250 20 0 FGADMP c1c(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nc2n1CCS2 ZINC000278762634 497213191 /nfs/dbraw/zinc/21/31/91/497213191.db2.gz OSTDVJUKCHHONA-ACDBMABISA-N 2 1 368.550 3.317 20 0 FGADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000265960289 497218247 /nfs/dbraw/zinc/21/82/47/497218247.db2.gz IVHSPMUMFHMYAP-STQMWFEESA-N 2 1 364.490 3.036 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000189760980 497235078 /nfs/dbraw/zinc/23/50/78/497235078.db2.gz SDUGTPCSAKQQCL-WMZOPIPTSA-N 2 1 366.575 3.114 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000249763079 497244153 /nfs/dbraw/zinc/24/41/53/497244153.db2.gz OASFBQNQCQYBRG-DYESRHJHSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000249763079 497244155 /nfs/dbraw/zinc/24/41/55/497244155.db2.gz OASFBQNQCQYBRG-DYESRHJHSA-N 2 1 351.494 3.377 20 0 FGADMP Brc1cncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192921391 497247596 /nfs/dbraw/zinc/24/75/96/497247596.db2.gz WWQXTUXHWDLXKY-MRXNPFEDSA-N 2 1 360.299 3.456 20 0 FGADMP Brc1cncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192921391 497247603 /nfs/dbraw/zinc/24/76/03/497247603.db2.gz WWQXTUXHWDLXKY-MRXNPFEDSA-N 2 1 360.299 3.456 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000237505878 497247971 /nfs/dbraw/zinc/24/79/71/497247971.db2.gz SQWSZKZXZVXKEK-TXPKVOOTSA-N 2 1 354.498 3.384 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)CC1 ZINC000249819213 497250061 /nfs/dbraw/zinc/25/00/61/497250061.db2.gz DZQDSBJCOZESET-RBUKOAKNSA-N 2 1 357.542 3.278 20 0 FGADMP O[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1F ZINC000278968346 497285793 /nfs/dbraw/zinc/28/57/93/497285793.db2.gz XMVAMLPIXBLOLB-IBGZPJMESA-N 2 1 361.436 3.411 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000189948773 497303126 /nfs/dbraw/zinc/30/31/26/497303126.db2.gz CFVPSUGJPMOERF-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP [NH3+]C1(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CCCC1 ZINC000237890462 497308501 /nfs/dbraw/zinc/30/85/01/497308501.db2.gz DYRGPMXELCTYCO-UHFFFAOYSA-N 2 1 363.505 3.192 20 0 FGADMP C[C@@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275392090 497310984 /nfs/dbraw/zinc/31/09/84/497310984.db2.gz COSIKWBHCREUHU-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP [NH3+][C@H](CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237926463 497314881 /nfs/dbraw/zinc/31/48/81/497314881.db2.gz AGANJRYKJXTELD-NHCUHLMSSA-N 2 1 351.494 3.247 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000238001919 497326326 /nfs/dbraw/zinc/32/63/26/497326326.db2.gz QDTMFIHFCSHCPU-HXUWFJFHSA-N 2 1 355.526 3.178 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000279105620 497334942 /nfs/dbraw/zinc/33/49/42/497334942.db2.gz JSGVTJYPXKCPJQ-UHFFFAOYSA-N 2 1 365.319 3.233 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Br)c(C)nn2C)c1 ZINC000279105620 497334948 /nfs/dbraw/zinc/33/49/48/497334948.db2.gz JSGVTJYPXKCPJQ-UHFFFAOYSA-N 2 1 365.319 3.233 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000193299920 497344095 /nfs/dbraw/zinc/34/40/95/497344095.db2.gz YYCCQQGNVITSKO-MAUKXSAKSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000193299920 497344100 /nfs/dbraw/zinc/34/41/00/497344100.db2.gz YYCCQQGNVITSKO-MAUKXSAKSA-N 2 1 357.523 3.091 20 0 FGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271476104 497358758 /nfs/dbraw/zinc/35/87/58/497358758.db2.gz IBGAVNRACAJMKI-KKXDTOCCSA-N 2 1 352.906 3.377 20 0 FGADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607883 497379742 /nfs/dbraw/zinc/37/97/42/497379742.db2.gz FUZYLNJWLNMMBN-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cc(C)c(Cl)cc2OC)[C@@H](C)C1 ZINC000245424515 497397721 /nfs/dbraw/zinc/39/77/21/497397721.db2.gz KDOCJDKORXASOS-YOEHRIQHSA-N 2 1 367.921 3.258 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000275667018 497398438 /nfs/dbraw/zinc/39/84/38/497398438.db2.gz VKVDNVATGIQTEB-HUUCEWRRSA-N 2 1 360.889 3.414 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190211763 497401346 /nfs/dbraw/zinc/40/13/46/497401346.db2.gz UPTHUHFDENMWNO-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261609888 497418301 /nfs/dbraw/zinc/41/83/01/497418301.db2.gz BUOAKXKIJNIQKE-DENIHFKCSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261609888 497418306 /nfs/dbraw/zinc/41/83/06/497418306.db2.gz BUOAKXKIJNIQKE-DENIHFKCSA-N 2 1 357.542 3.318 20 0 FGADMP NC(=O)c1csc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261608268 497418772 /nfs/dbraw/zinc/41/87/72/497418772.db2.gz BOWOWINLIMKEIB-INIZCTEOSA-N 2 1 361.536 3.053 20 0 FGADMP NC(=O)c1csc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000261608268 497418776 /nfs/dbraw/zinc/41/87/76/497418776.db2.gz BOWOWINLIMKEIB-INIZCTEOSA-N 2 1 361.536 3.053 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000572170477 505906281 /nfs/dbraw/zinc/90/62/81/505906281.db2.gz SMLXDJSNYJPEFH-OALUTQOASA-N 2 1 359.539 3.378 20 0 FGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000275845505 497444853 /nfs/dbraw/zinc/44/48/53/497444853.db2.gz KCURCLRCEAMYQY-CTNGQTDRSA-N 2 1 355.530 3.428 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261754400 497445488 /nfs/dbraw/zinc/44/54/88/497445488.db2.gz NGPBVFHUCFETES-NQIIRXRSSA-N 2 1 365.521 3.089 20 0 FGADMP CCN1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000245580057 497464188 /nfs/dbraw/zinc/46/41/88/497464188.db2.gz GSISTPGQCXZWNK-FUHWJXTLSA-N 2 1 355.885 3.071 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896486 497471005 /nfs/dbraw/zinc/47/10/05/497471005.db2.gz WAUHOHJTQXLOCT-VQTJNVASSA-N 2 1 357.523 3.015 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193762354 497472401 /nfs/dbraw/zinc/47/24/01/497472401.db2.gz QNUSPAGKPQBYDZ-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C[C@@H]1n1ccnc1 ZINC000245611909 497474149 /nfs/dbraw/zinc/47/41/49/497474149.db2.gz OGMUMTHAQJGQSD-MNEFBYGVSA-N 2 1 356.445 3.101 20 0 FGADMP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261987050 497488031 /nfs/dbraw/zinc/48/80/31/497488031.db2.gz XMFMUNOFAGGYKW-HOJAQTOUSA-N 2 1 355.526 3.060 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670572 497495818 /nfs/dbraw/zinc/49/58/18/497495818.db2.gz HHEFVXZJJJAXOS-KJJMTIBFSA-N 2 1 362.521 3.446 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193872905 497508831 /nfs/dbraw/zinc/50/88/31/497508831.db2.gz IHYOFTBBCKBEJB-SFHVURJKSA-N 2 1 364.578 3.014 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000262118007 497510359 /nfs/dbraw/zinc/51/03/59/497510359.db2.gz BTCPLRFJZQDDPV-NRFANRHFSA-N 2 1 351.494 3.034 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000193911660 497517444 /nfs/dbraw/zinc/51/74/44/497517444.db2.gz AWDPSTNPDODFGL-LJQANCHMSA-N 2 1 359.901 3.434 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245746949 497526651 /nfs/dbraw/zinc/52/66/51/497526651.db2.gz MZBGOPYXJSJITL-PKOBYXMFSA-N 2 1 360.498 3.077 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000245746949 497526655 /nfs/dbraw/zinc/52/66/55/497526655.db2.gz MZBGOPYXJSJITL-PKOBYXMFSA-N 2 1 360.498 3.077 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000245806228 497543524 /nfs/dbraw/zinc/54/35/24/497543524.db2.gz METSPRBWRLLYNA-QZTJIDSGSA-N 2 1 360.546 3.147 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272137035 497545347 /nfs/dbraw/zinc/54/53/47/497545347.db2.gz ARHWQELWLHQUOI-LAUBAEHRSA-N 2 1 351.494 3.046 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394112 497549428 /nfs/dbraw/zinc/54/94/28/497549428.db2.gz ZCJKYPOTVTUFPH-LKRQXQHHSA-N 2 1 355.526 3.092 20 0 FGADMP Clc1ccc(Cl)c(SCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262442072 497556967 /nfs/dbraw/zinc/55/69/67/497556967.db2.gz GVNHBEPEYHBGMV-CQSZACIVSA-N 2 1 360.354 3.065 20 0 FGADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000578324103 505914852 /nfs/dbraw/zinc/91/48/52/505914852.db2.gz QUKPKTWQKHWKRR-SXLOBPIMSA-N 2 1 351.494 3.252 20 0 FGADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000578324103 505914856 /nfs/dbraw/zinc/91/48/56/505914856.db2.gz QUKPKTWQKHWKRR-SXLOBPIMSA-N 2 1 351.494 3.252 20 0 FGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000569355524 505915117 /nfs/dbraw/zinc/91/51/17/505915117.db2.gz PSQODDANJSWHGX-GOSISDBHSA-N 2 1 357.523 3.497 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262626371 497586466 /nfs/dbraw/zinc/58/64/66/497586466.db2.gz BVDUDOGCLOJXCP-BDTNDASRSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126895 505916152 /nfs/dbraw/zinc/91/61/52/505916152.db2.gz FICFYIWAAPHXKR-UIFIKXQLSA-N 2 1 354.494 3.166 20 0 FGADMP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300463 497589848 /nfs/dbraw/zinc/58/98/48/497589848.db2.gz PRNBJGDBXCQMQH-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H](CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000262649653 497590857 /nfs/dbraw/zinc/59/08/57/497590857.db2.gz QERQZIWDJLMTIF-LQWHRVPQSA-N 2 1 353.510 3.349 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262659992 497594193 /nfs/dbraw/zinc/59/41/93/497594193.db2.gz FTAQLOHHQOOXHO-UTKZUKDTSA-N 2 1 353.510 3.479 20 0 FGADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246059653 497607666 /nfs/dbraw/zinc/60/76/66/497607666.db2.gz ARHIZGAMJDZELS-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]21 ZINC000569363930 505917716 /nfs/dbraw/zinc/91/77/16/505917716.db2.gz RDTCNXDKYOLVCU-TYCQWZJGSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@@H]21 ZINC000569363930 505917719 /nfs/dbraw/zinc/91/77/19/505917719.db2.gz RDTCNXDKYOLVCU-TYCQWZJGSA-N 2 1 365.477 3.477 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000572223218 505918392 /nfs/dbraw/zinc/91/83/92/505918392.db2.gz IOGBCBGPCPNKME-PZJWPPBQSA-N 2 1 374.573 3.273 20 0 FGADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262803821 497624821 /nfs/dbraw/zinc/62/48/21/497624821.db2.gz SADPGGGOMOHIBL-DKZVUGQWSA-N 2 1 373.541 3.390 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000246146820 497636930 /nfs/dbraw/zinc/63/69/30/497636930.db2.gz JZCRVDMBUVNADG-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@H](C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)c1ccccc1 ZINC000262924755 497657132 /nfs/dbraw/zinc/65/71/32/497657132.db2.gz FJKRHGXAWZKIDW-INIZCTEOSA-N 2 1 351.372 3.406 20 0 FGADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000190948554 497657155 /nfs/dbraw/zinc/65/71/55/497657155.db2.gz YJGOLCWGDUKJMV-OAQYLSRUSA-N 2 1 352.526 3.192 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000268037486 497664736 /nfs/dbraw/zinc/66/47/36/497664736.db2.gz WWEYGNBJGSQPCN-XLIONFOSSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586056 497671054 /nfs/dbraw/zinc/67/10/54/497671054.db2.gz WSBJXCRWSOTLPH-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000246297545 497687652 /nfs/dbraw/zinc/68/76/52/497687652.db2.gz DXWWCLVJWKLSIF-SFHLNBCPSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000246297545 497687657 /nfs/dbraw/zinc/68/76/57/497687657.db2.gz DXWWCLVJWKLSIF-SFHLNBCPSA-N 2 1 357.542 3.402 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)cc1 ZINC000572243883 505923924 /nfs/dbraw/zinc/92/39/24/505923924.db2.gz YPDDBVCGWZGDOU-UHFFFAOYSA-N 2 1 370.522 3.133 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246369172 497709848 /nfs/dbraw/zinc/70/98/48/497709848.db2.gz HFDXRQWAJZELAB-OKZBNKHCSA-N 2 1 364.534 3.034 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272721689 497712018 /nfs/dbraw/zinc/71/20/18/497712018.db2.gz JFJFWRQYMBPSJD-SJORKVTESA-N 2 1 358.530 3.065 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000272726805 497713911 /nfs/dbraw/zinc/71/39/11/497713911.db2.gz OFNFKDMDPKHDBO-WIYYLYMNSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000272726805 497713916 /nfs/dbraw/zinc/71/39/16/497713916.db2.gz OFNFKDMDPKHDBO-WIYYLYMNSA-N 2 1 357.542 3.276 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246384028 497716008 /nfs/dbraw/zinc/71/60/08/497716008.db2.gz NDKVJMMQIDJWSP-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393481 497719366 /nfs/dbraw/zinc/71/93/66/497719366.db2.gz SNLXBRZIFHLUJZ-ZFMNYDKASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393481 497719368 /nfs/dbraw/zinc/71/93/68/497719368.db2.gz SNLXBRZIFHLUJZ-ZFMNYDKASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246393481 497719370 /nfs/dbraw/zinc/71/93/70/497719370.db2.gz SNLXBRZIFHLUJZ-ZFMNYDKASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237870 497739656 /nfs/dbraw/zinc/73/96/56/497739656.db2.gz OGSZMGDNABTYGQ-QUCCMNQESA-N 2 1 363.933 3.282 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237870 497739661 /nfs/dbraw/zinc/73/96/61/497739661.db2.gz OGSZMGDNABTYGQ-QUCCMNQESA-N 2 1 363.933 3.282 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246500491 497754363 /nfs/dbraw/zinc/75/43/63/497754363.db2.gz TZELNWWDHFQUAI-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246521253 497761415 /nfs/dbraw/zinc/76/14/15/497761415.db2.gz CEBWXGUOKOPKIC-FUHWJXTLSA-N 2 1 370.459 3.417 20 0 FGADMP O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@@H](c1ccccc1)C1CC1 ZINC000246535757 497766494 /nfs/dbraw/zinc/76/64/94/497766494.db2.gz JPSRYXLQTQMTEF-WPYKKVEZSA-N 2 1 367.537 3.203 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CCN1C ZINC000246537379 497766923 /nfs/dbraw/zinc/76/69/23/497766923.db2.gz CPDILXNWOQBBFY-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000246537379 497766927 /nfs/dbraw/zinc/76/69/27/497766927.db2.gz CPDILXNWOQBBFY-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000246537379 497766933 /nfs/dbraw/zinc/76/69/33/497766933.db2.gz CPDILXNWOQBBFY-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000246537379 497766939 /nfs/dbraw/zinc/76/69/39/497766939.db2.gz CPDILXNWOQBBFY-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cnn1C(C)C ZINC000191329388 497782625 /nfs/dbraw/zinc/78/26/25/497782625.db2.gz RBSGSKPYPYHJJD-OAHLLOKOSA-N 2 1 356.518 3.499 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626169 497790990 /nfs/dbraw/zinc/79/09/90/497790990.db2.gz UVTRNGCKCLXNOJ-OXJNMPFZSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000246856738 497817107 /nfs/dbraw/zinc/81/71/07/497817107.db2.gz BSYUOYSJBOMWBN-CEXWTWQISA-N 2 1 373.541 3.353 20 0 FGADMP C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246877653 497818282 /nfs/dbraw/zinc/81/82/82/497818282.db2.gz QJRKSHDUODNYSV-SLYNCCJLSA-N 2 1 367.537 3.303 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C)cc1F ZINC000364205550 497839558 /nfs/dbraw/zinc/83/95/58/497839558.db2.gz GMXAWNSPCKNQKE-KGLIPLIRSA-N 2 1 361.465 3.020 20 0 FGADMP CC[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279809 497877225 /nfs/dbraw/zinc/87/72/25/497877225.db2.gz GVNZFLMTTHUNRF-LEWJYISDSA-N 2 1 372.557 3.256 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000329757651 497891098 /nfs/dbraw/zinc/89/10/98/497891098.db2.gz NCNOKPIJQACHOY-LJQANCHMSA-N 2 1 350.470 3.263 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470372 505946986 /nfs/dbraw/zinc/94/69/86/505946986.db2.gz BVCKQKHOJLCFPA-QFIPXVFZSA-N 2 1 369.557 3.029 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280868230 497929259 /nfs/dbraw/zinc/92/92/59/497929259.db2.gz NONOYGBGTXAUGL-HSZRJFAPSA-N 2 1 364.537 3.460 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285045820 497978788 /nfs/dbraw/zinc/97/87/88/497978788.db2.gz IGYROZGXXWNPFE-SFHVURJKSA-N 2 1 356.470 3.225 20 0 FGADMP C[C@@H]1C[N@H+](CCCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000575319210 505960631 /nfs/dbraw/zinc/96/06/31/505960631.db2.gz MAXGZFSQNAWQEM-WSTZPKSXSA-N 2 1 367.578 3.070 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000289132951 498029168 /nfs/dbraw/zinc/02/91/68/498029168.db2.gz ORYPTCSATQDMED-CQSZACIVSA-N 2 1 356.861 3.332 20 0 FGADMP C[C@@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586972 498037168 /nfs/dbraw/zinc/03/71/68/498037168.db2.gz ZCPXJUJXXPQRFY-XDOCFNAUSA-N 2 1 374.569 3.095 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-c2c(F)cccc2F)o1 ZINC000572444839 505970557 /nfs/dbraw/zinc/97/05/57/505970557.db2.gz HMZKOXQUVMGQNI-UHFFFAOYSA-N 2 1 363.452 3.294 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364227 505971384 /nfs/dbraw/zinc/97/13/84/505971384.db2.gz LFJRCOWHXKERLD-DBQOQBPJSA-N 2 1 359.558 3.006 20 0 FGADMP CC(C)C[C@@H](CNC(=O)c1csc(C[NH3+])n1)[NH2+][C@@H](C)c1ccccc1 ZINC000578622991 505983451 /nfs/dbraw/zinc/98/34/51/505983451.db2.gz HMOQATBHKWBXOB-HOCLYGCPSA-N 2 1 360.527 3.097 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281424318 498145359 /nfs/dbraw/zinc/14/53/59/498145359.db2.gz BXYQMXXQISXRQW-FCHUYYIVSA-N 2 1 369.484 3.418 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000569675635 505990897 /nfs/dbraw/zinc/99/08/97/505990897.db2.gz FUHDLLNKWXDJAF-CMKODMSKSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289585700 498204754 /nfs/dbraw/zinc/20/47/54/498204754.db2.gz IFWZCBCZMULQIX-VMXMFDLUSA-N 2 1 368.525 3.140 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccsc1 ZINC000296905707 498245170 /nfs/dbraw/zinc/24/51/70/498245170.db2.gz DTCHWKAUINEFCT-HQSKLWIPSA-N 2 1 364.559 3.055 20 0 FGADMP COC[C@@]1(C)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915528 498249876 /nfs/dbraw/zinc/24/98/76/498249876.db2.gz WMSMEDNKZVBMNH-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000296966950 498270586 /nfs/dbraw/zinc/27/05/86/498270586.db2.gz IHGCKVMUIPQUMF-VTHDOGFWSA-N 2 1 370.541 3.056 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1O ZINC000289754804 498279289 /nfs/dbraw/zinc/27/92/89/498279289.db2.gz MSSLNRCIAHIASA-INIZCTEOSA-N 2 1 356.466 3.084 20 0 FGADMP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OCC(F)F ZINC000289776864 498289507 /nfs/dbraw/zinc/28/95/07/498289507.db2.gz PRCJPBJUTAEYPW-GJZGRUSLSA-N 2 1 372.456 3.310 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000360898809 498320917 /nfs/dbraw/zinc/32/09/17/498320917.db2.gz GODUZYHAFVZXLX-UHFFFAOYSA-N 2 1 367.497 3.095 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000360960015 498327436 /nfs/dbraw/zinc/32/74/36/498327436.db2.gz OELVRYVWANPRMH-QFIPXVFZSA-N 2 1 351.538 3.484 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)COc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572594891 506006072 /nfs/dbraw/zinc/00/60/72/506006072.db2.gz ISFDZAKIFZDANY-BAGYTPMASA-N 2 1 368.521 3.317 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141963 498331050 /nfs/dbraw/zinc/33/10/50/498331050.db2.gz ZKIWSSOGPPRJJL-QAPCUYQASA-N 2 1 353.470 3.123 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141963 498331058 /nfs/dbraw/zinc/33/10/58/498331058.db2.gz ZKIWSSOGPPRJJL-QAPCUYQASA-N 2 1 353.470 3.123 20 0 FGADMP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233698 498365144 /nfs/dbraw/zinc/36/51/44/498365144.db2.gz KHSFPTCREVTUPC-VQTJNVASSA-N 2 1 356.510 3.459 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233698 498365150 /nfs/dbraw/zinc/36/51/50/498365150.db2.gz KHSFPTCREVTUPC-VQTJNVASSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233698 498365153 /nfs/dbraw/zinc/36/51/53/498365153.db2.gz KHSFPTCREVTUPC-VQTJNVASSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233698 498365160 /nfs/dbraw/zinc/36/51/60/498365160.db2.gz KHSFPTCREVTUPC-VQTJNVASSA-N 2 1 356.510 3.459 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)nc1 ZINC000289969638 498375781 /nfs/dbraw/zinc/37/57/81/498375781.db2.gz XJFKWRVNLWFSNH-QLFBSQMISA-N 2 1 370.335 3.384 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978542 498379454 /nfs/dbraw/zinc/37/94/54/498379454.db2.gz XSCVIMFWVTXIRP-NUJGCVRESA-N 2 1 350.503 3.188 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978542 498379464 /nfs/dbraw/zinc/37/94/64/498379464.db2.gz XSCVIMFWVTXIRP-NUJGCVRESA-N 2 1 350.503 3.188 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)cn1 ZINC000289996963 498388291 /nfs/dbraw/zinc/38/82/91/498388291.db2.gz YSAAOLLFQLAOTI-OAHLLOKOSA-N 2 1 373.501 3.359 20 0 FGADMP O=C(c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1)N1CCCCC1 ZINC000361479804 498397711 /nfs/dbraw/zinc/39/77/11/498397711.db2.gz XHJMVQNOEGYQIF-YPAWHYETSA-N 2 1 367.537 3.229 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000297344667 498413656 /nfs/dbraw/zinc/41/36/56/498413656.db2.gz HLTLKEBMBVPYET-JOCHJYFZSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000297344667 498413660 /nfs/dbraw/zinc/41/36/60/498413660.db2.gz HLTLKEBMBVPYET-JOCHJYFZSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000297344667 498413666 /nfs/dbraw/zinc/41/36/66/498413666.db2.gz HLTLKEBMBVPYET-JOCHJYFZSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685282 498418815 /nfs/dbraw/zinc/41/88/15/498418815.db2.gz MTONHLAJGSTDEZ-IEBWSBKVSA-N 2 1 366.509 3.103 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293631872 498435435 /nfs/dbraw/zinc/43/54/35/498435435.db2.gz RCROCGKUWVQXPH-OAHLLOKOSA-N 2 1 362.905 3.107 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463218 /nfs/dbraw/zinc/46/32/18/498463218.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 2 1 350.503 3.136 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463224 /nfs/dbraw/zinc/46/32/24/498463224.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 2 1 350.503 3.136 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201354 498463231 /nfs/dbraw/zinc/46/32/31/498463231.db2.gz GQPCYKWBSXAAEP-QGZVFWFLSA-N 2 1 350.503 3.136 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000575961834 506043312 /nfs/dbraw/zinc/04/33/12/506043312.db2.gz MTWRWZFYSAVBNP-HXUWFJFHSA-N 2 1 359.558 3.059 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000575961834 506043315 /nfs/dbraw/zinc/04/33/15/506043315.db2.gz MTWRWZFYSAVBNP-HXUWFJFHSA-N 2 1 359.558 3.059 20 0 FGADMP CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921156 506051712 /nfs/dbraw/zinc/05/17/12/506051712.db2.gz LMIBHEJEMUNLNW-RXVVDRJESA-N 2 1 357.542 3.339 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581724450 506053733 /nfs/dbraw/zinc/05/37/33/506053733.db2.gz FPIBBZJPLRJYQP-FUHWJXTLSA-N 2 1 355.885 3.119 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581724450 506053735 /nfs/dbraw/zinc/05/37/35/506053735.db2.gz FPIBBZJPLRJYQP-FUHWJXTLSA-N 2 1 355.885 3.119 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294010454 498561233 /nfs/dbraw/zinc/56/12/33/498561233.db2.gz DGNASMKUQPDUQG-HZPDHXFCSA-N 2 1 354.454 3.143 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000302785717 498574071 /nfs/dbraw/zinc/57/40/71/498574071.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000302785717 498574077 /nfs/dbraw/zinc/57/40/77/498574077.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000302785717 498574080 /nfs/dbraw/zinc/57/40/80/498574080.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785717 498574087 /nfs/dbraw/zinc/57/40/87/498574087.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785717 498574091 /nfs/dbraw/zinc/57/40/91/498574091.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000302785717 498574096 /nfs/dbraw/zinc/57/40/96/498574096.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000302785717 498574102 /nfs/dbraw/zinc/57/41/02/498574102.db2.gz VSFNRMDIKKGAST-ROUUACIJSA-N 3 1 374.577 3.107 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000282630134 498588700 /nfs/dbraw/zinc/58/87/00/498588700.db2.gz KCNQFUPVOJNQHC-LJQANCHMSA-N 2 1 370.541 3.441 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000581773659 506065553 /nfs/dbraw/zinc/06/55/53/506065553.db2.gz KHRQQBAQOLAIOJ-QGZVFWFLSA-N 2 1 371.872 3.487 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061322 498644329 /nfs/dbraw/zinc/64/43/29/498644329.db2.gz XOFQEMXJSNCCCK-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303061322 498644335 /nfs/dbraw/zinc/64/43/35/498644335.db2.gz XOFQEMXJSNCCCK-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000303061322 498644343 /nfs/dbraw/zinc/64/43/43/498644343.db2.gz XOFQEMXJSNCCCK-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127989 498649828 /nfs/dbraw/zinc/64/98/28/498649828.db2.gz OPFBZTYZEFLLIO-GOSISDBHSA-N 2 1 370.541 3.273 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000572857716 506069554 /nfs/dbraw/zinc/06/95/54/506069554.db2.gz ROTQSHMIRFKFOI-ICSRJNTNSA-N 2 1 360.546 3.069 20 0 FGADMP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000365835255 498661302 /nfs/dbraw/zinc/66/13/02/498661302.db2.gz DEBMHHSOPCVZAY-QWHCGFSZSA-N 2 1 354.853 3.241 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000579011834 506074447 /nfs/dbraw/zinc/07/44/47/506074447.db2.gz LMZQAXQYYVJKQL-GUDVDZBRSA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000579011834 506074451 /nfs/dbraw/zinc/07/44/51/506074451.db2.gz LMZQAXQYYVJKQL-GUDVDZBRSA-N 2 1 353.514 3.141 20 0 FGADMP CCOc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc(Cl)c1O ZINC000298275203 498718978 /nfs/dbraw/zinc/71/89/78/498718978.db2.gz GNSRPDZXALUJDT-AWEZNQCLSA-N 2 1 368.905 3.035 20 0 FGADMP Brc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298287060 498721190 /nfs/dbraw/zinc/72/11/90/498721190.db2.gz HCDBKRYGAWGIPR-MRXNPFEDSA-N 2 1 364.331 3.244 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000363239956 498722242 /nfs/dbraw/zinc/72/22/42/498722242.db2.gz FYIGPLPZRNKZQC-SFHVURJKSA-N 2 1 361.534 3.226 20 0 FGADMP c1cn2cc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)nc2s1 ZINC000311230432 498749634 /nfs/dbraw/zinc/74/96/34/498749634.db2.gz QXNLWKBXCTVJFY-QZTJIDSGSA-N 2 1 352.507 3.350 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000366149010 498797351 /nfs/dbraw/zinc/79/73/51/498797351.db2.gz WAVYGFYYDCITKC-BRWVUGGUSA-N 2 1 362.518 3.071 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366149011 498798199 /nfs/dbraw/zinc/79/81/99/498798199.db2.gz WAVYGFYYDCITKC-IKGGRYGDSA-N 2 1 362.518 3.071 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827683 498806347 /nfs/dbraw/zinc/80/63/47/498806347.db2.gz MDOPCBOTQSMJNF-SXLOBPIMSA-N 2 1 370.541 3.236 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827683 498806350 /nfs/dbraw/zinc/80/63/50/498806350.db2.gz MDOPCBOTQSMJNF-SXLOBPIMSA-N 2 1 370.541 3.236 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827683 498806358 /nfs/dbraw/zinc/80/63/58/498806358.db2.gz MDOPCBOTQSMJNF-SXLOBPIMSA-N 2 1 370.541 3.236 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cc2ccccc2o1 ZINC000573001511 506096926 /nfs/dbraw/zinc/09/69/26/506096926.db2.gz SAOUOFIZOCJDNJ-XWJBARJFSA-N 2 1 355.482 3.058 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1cc2ccccc2o1 ZINC000573001511 506096929 /nfs/dbraw/zinc/09/69/29/506096929.db2.gz SAOUOFIZOCJDNJ-XWJBARJFSA-N 2 1 355.482 3.058 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccccn3)C(C)C)CC2)CC1 ZINC000573017476 506099848 /nfs/dbraw/zinc/09/98/48/506099848.db2.gz GRVXJYOUSFSGLQ-UHFFFAOYSA-N 2 1 372.557 3.015 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294910228 498846496 /nfs/dbraw/zinc/84/64/96/498846496.db2.gz AFIHHMLFLCGQHD-LMNJBCLMSA-N 2 1 351.494 3.022 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000579137607 506102310 /nfs/dbraw/zinc/10/23/10/506102310.db2.gz FIGWFDFKAGYVAW-MXVIHJGJSA-N 2 1 357.498 3.483 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1 ZINC000579137607 506102314 /nfs/dbraw/zinc/10/23/14/506102314.db2.gz FIGWFDFKAGYVAW-MXVIHJGJSA-N 2 1 357.498 3.483 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000363543207 498870124 /nfs/dbraw/zinc/87/01/24/498870124.db2.gz FCFNTIHMONCVLA-PWIZWCRZSA-N 2 1 354.498 3.217 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000294998153 498875197 /nfs/dbraw/zinc/87/51/97/498875197.db2.gz LUNPOADPRZLNBN-OXJNMPFZSA-N 2 1 361.505 3.340 20 0 FGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000287889620 498893671 /nfs/dbraw/zinc/89/36/71/498893671.db2.gz YYDUVTNHRIZBKG-BZSNNMDCSA-N 2 1 356.432 3.251 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000328705384 498909292 /nfs/dbraw/zinc/90/92/92/498909292.db2.gz PFJVJFIXSXGJFV-NSHGMRRFSA-N 2 1 373.545 3.014 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003372 506110941 /nfs/dbraw/zinc/11/09/41/506110941.db2.gz HGOLYTUUAYBKFJ-MSOLQXFVSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003372 506110946 /nfs/dbraw/zinc/11/09/46/506110946.db2.gz HGOLYTUUAYBKFJ-MSOLQXFVSA-N 2 1 365.477 3.349 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000295174399 498931998 /nfs/dbraw/zinc/93/19/98/498931998.db2.gz LVWIDYAUXSZWEE-RKKYOWQMSA-N 2 1 363.505 3.307 20 0 FGADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1F ZINC000295171663 498932126 /nfs/dbraw/zinc/93/21/26/498932126.db2.gz LMPMCZFJVRSRGP-FQEVSTJZSA-N 2 1 369.484 3.121 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057829 506123841 /nfs/dbraw/zinc/12/38/41/506123841.db2.gz GWRLTRLUVQPFIM-OXQOHEQNSA-N 2 1 372.538 3.453 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057829 506123844 /nfs/dbraw/zinc/12/38/44/506123844.db2.gz GWRLTRLUVQPFIM-OXQOHEQNSA-N 2 1 372.538 3.453 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000363800105 498998397 /nfs/dbraw/zinc/99/83/97/498998397.db2.gz MSFCCYJVGGTVAF-UHFFFAOYSA-N 2 1 368.525 3.191 20 0 FGADMP Cc1c(-c2cc(C[N@H+]3CCC[C@H]3Cn3cc[nH+]c3C(C)C)on2)cnn1C ZINC000366721121 499048006 /nfs/dbraw/zinc/04/80/06/499048006.db2.gz KRWGUCOVVFFJGE-INIZCTEOSA-N 2 1 368.485 3.368 20 0 FGADMP Cc1c(-c2cc(C[N@@H+]3CCC[C@H]3Cn3cc[nH+]c3C(C)C)on2)cnn1C ZINC000366721121 499048011 /nfs/dbraw/zinc/04/80/11/499048011.db2.gz KRWGUCOVVFFJGE-INIZCTEOSA-N 2 1 368.485 3.368 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)[C@@H](C)C1 ZINC000366732337 499053166 /nfs/dbraw/zinc/05/31/66/499053166.db2.gz WJYHVUKNZAZZPD-HAGHYFMRSA-N 2 1 362.562 3.173 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000299471916 499069789 /nfs/dbraw/zinc/06/97/89/499069789.db2.gz YNQFLZAPDCDBAV-HKUYNNGSSA-N 2 1 372.513 3.006 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cc1 ZINC000366819490 499084051 /nfs/dbraw/zinc/08/40/51/499084051.db2.gz GJWQTZCTIFSQDU-NZSAHSFTSA-N 2 1 357.523 3.256 20 0 FGADMP C[NH+](C)CC1(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1 ZINC000366842156 499091575 /nfs/dbraw/zinc/09/15/75/499091575.db2.gz AWZZKUAJACOWFJ-QGZVFWFLSA-N 2 1 358.530 3.094 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364122181 499119159 /nfs/dbraw/zinc/11/91/59/499119159.db2.gz AYDOETGCYIEAEH-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000367065920 499142647 /nfs/dbraw/zinc/14/26/47/499142647.db2.gz HKOUCANVAFCYOT-RYRKJORJSA-N 2 1 351.535 3.096 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000369915531 499151572 /nfs/dbraw/zinc/15/15/72/499151572.db2.gz GMIQOTCWGRPSQZ-ZVDOUQERSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000369915531 499151574 /nfs/dbraw/zinc/15/15/74/499151574.db2.gz GMIQOTCWGRPSQZ-ZVDOUQERSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000369915530 499151753 /nfs/dbraw/zinc/15/17/53/499151753.db2.gz GMIQOTCWGRPSQZ-ZJOUEHCJSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000369915530 499151755 /nfs/dbraw/zinc/15/17/55/499151755.db2.gz GMIQOTCWGRPSQZ-ZJOUEHCJSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000369952048 499156897 /nfs/dbraw/zinc/15/68/97/499156897.db2.gz QWHHZQDXAZXXBA-UHFFFAOYSA-N 2 1 360.527 3.239 20 0 FGADMP Cc1ccc(N2CCC[C@@H](c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)C2)[nH+]c1 ZINC000367295623 499175110 /nfs/dbraw/zinc/17/51/10/499175110.db2.gz RFRHMVANHBMXTK-CSNJMZFVSA-N 2 1 367.497 3.497 20 0 FGADMP Cc1ccc(N2CCC[C@@H](c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)C2)[nH+]c1 ZINC000367295623 499175112 /nfs/dbraw/zinc/17/51/12/499175112.db2.gz RFRHMVANHBMXTK-CSNJMZFVSA-N 2 1 367.497 3.497 20 0 FGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCc2ccccc2NC1=O ZINC000372817511 499179734 /nfs/dbraw/zinc/17/97/34/499179734.db2.gz ZUELANYZMRYUHW-NRFANRHFSA-N 2 1 364.493 3.183 20 0 FGADMP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000367522313 499208777 /nfs/dbraw/zinc/20/87/77/499208777.db2.gz DSUPHQRHODLIJH-OPQOLIRYSA-N 2 1 351.535 3.286 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226245 /nfs/dbraw/zinc/22/62/45/499226245.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226247 /nfs/dbraw/zinc/22/62/47/499226247.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702034 499226249 /nfs/dbraw/zinc/22/62/49/499226249.db2.gz LNXSFSNLSRMDSI-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP CC(=O)Nc1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000367898849 499243246 /nfs/dbraw/zinc/24/32/46/499243246.db2.gz BFUMCLNUUIWMKY-UHFFFAOYSA-N 2 1 352.482 3.388 20 0 FGADMP Cc1nccn1CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000370712620 499246932 /nfs/dbraw/zinc/24/69/32/499246932.db2.gz WYDUTEGCNACYMH-NNZMDNLPSA-N 2 1 362.518 3.492 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000370712620 499246934 /nfs/dbraw/zinc/24/69/34/499246934.db2.gz WYDUTEGCNACYMH-NNZMDNLPSA-N 2 1 362.518 3.492 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C2 ZINC000370712620 499246935 /nfs/dbraw/zinc/24/69/35/499246935.db2.gz WYDUTEGCNACYMH-NNZMDNLPSA-N 2 1 362.518 3.492 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367962760 499250110 /nfs/dbraw/zinc/25/01/10/499250110.db2.gz KABLYVSBBNZPNO-RBBKRZOGSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367962760 499250112 /nfs/dbraw/zinc/25/01/12/499250112.db2.gz KABLYVSBBNZPNO-RBBKRZOGSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367962760 499250113 /nfs/dbraw/zinc/25/01/13/499250113.db2.gz KABLYVSBBNZPNO-RBBKRZOGSA-N 2 1 373.504 3.426 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368025676 499256724 /nfs/dbraw/zinc/25/67/24/499256724.db2.gz XWQXAEBGYBRNFO-RZXSNQJFSA-N 2 1 371.525 3.058 20 0 FGADMP CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370836388 499260454 /nfs/dbraw/zinc/26/04/54/499260454.db2.gz AJJQTSGNULKUIO-AWEZNQCLSA-N 2 1 370.324 3.234 20 0 FGADMP CN(C(=O)c1cccc(Cl)c1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370836388 499260455 /nfs/dbraw/zinc/26/04/55/499260455.db2.gz AJJQTSGNULKUIO-AWEZNQCLSA-N 2 1 370.324 3.234 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000368354032 499288201 /nfs/dbraw/zinc/28/82/01/499288201.db2.gz GDHFIRNMCCELLZ-NEYJZJCJSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000368354032 499288202 /nfs/dbraw/zinc/28/82/02/499288202.db2.gz GDHFIRNMCCELLZ-NEYJZJCJSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000368354032 499288203 /nfs/dbraw/zinc/28/82/03/499288203.db2.gz GDHFIRNMCCELLZ-NEYJZJCJSA-N 2 1 363.546 3.240 20 0 FGADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380948 499290605 /nfs/dbraw/zinc/29/06/05/499290605.db2.gz QREJAFOLQBYEKQ-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000582130078 506140158 /nfs/dbraw/zinc/14/01/58/506140158.db2.gz PPTDQKWRETWOCO-QZTJIDSGSA-N 2 1 350.869 3.180 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000371249923 499302615 /nfs/dbraw/zinc/30/26/15/499302615.db2.gz PXRAFQRPQDYWAR-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000371296211 499306849 /nfs/dbraw/zinc/30/68/49/499306849.db2.gz XRTDATUJWXJMJZ-QWFCFKBJSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000371296211 499306850 /nfs/dbraw/zinc/30/68/50/499306850.db2.gz XRTDATUJWXJMJZ-QWFCFKBJSA-N 2 1 362.514 3.168 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316551 499309445 /nfs/dbraw/zinc/30/94/45/499309445.db2.gz GMJXQVUDOOEPIT-LORHWOILSA-N 2 1 350.478 3.374 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316551 499309447 /nfs/dbraw/zinc/30/94/47/499309447.db2.gz GMJXQVUDOOEPIT-LORHWOILSA-N 2 1 350.478 3.374 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199286 506141849 /nfs/dbraw/zinc/14/18/49/506141849.db2.gz SCQGGGNTUOKMSV-QKLQHJQFSA-N 2 1 368.949 3.489 20 0 FGADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[NH+]1CCCCC1 ZINC000368744012 499327697 /nfs/dbraw/zinc/32/76/97/499327697.db2.gz XGAWVZPGECJMBM-HBMCJLEFSA-N 2 1 372.557 3.043 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371472453 499331593 /nfs/dbraw/zinc/33/15/93/499331593.db2.gz ZOSSTYCWHMGIBQ-CEMLEFRQSA-N 2 1 368.525 3.173 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371472453 499331594 /nfs/dbraw/zinc/33/15/94/499331594.db2.gz ZOSSTYCWHMGIBQ-CEMLEFRQSA-N 2 1 368.525 3.173 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1ccccc1 ZINC000371519748 499337424 /nfs/dbraw/zinc/33/74/24/499337424.db2.gz NBHJNOXLVSZWBX-MJGOQNOKSA-N 2 1 356.539 3.395 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000368858677 499340678 /nfs/dbraw/zinc/34/06/78/499340678.db2.gz BRTXJVICSJVEGC-LJQANCHMSA-N 2 1 357.523 3.132 20 0 FGADMP COC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001768 499355795 /nfs/dbraw/zinc/35/57/95/499355795.db2.gz QQLLRFRACXLZNF-LEWJYISDSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001768 499355797 /nfs/dbraw/zinc/35/57/97/499355797.db2.gz QQLLRFRACXLZNF-LEWJYISDSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001768 499355798 /nfs/dbraw/zinc/35/57/98/499355798.db2.gz QQLLRFRACXLZNF-LEWJYISDSA-N 2 1 358.526 3.169 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369198590 499376555 /nfs/dbraw/zinc/37/65/55/499376555.db2.gz PBKSMERCDVIEKV-UHFFFAOYSA-N 2 1 354.498 3.393 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000372054992 499393807 /nfs/dbraw/zinc/39/38/07/499393807.db2.gz JMDOOQAFEIJCKX-CEMLEFRQSA-N 3 1 365.606 3.224 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000372054992 499393808 /nfs/dbraw/zinc/39/38/08/499393808.db2.gz JMDOOQAFEIJCKX-CEMLEFRQSA-N 2 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066029 499395159 /nfs/dbraw/zinc/39/51/59/499395159.db2.gz VHSRFKBZAGFBCL-QHAWAJNXSA-N 3 1 351.579 3.122 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066029 499395161 /nfs/dbraw/zinc/39/51/61/499395161.db2.gz VHSRFKBZAGFBCL-QHAWAJNXSA-N 2 1 351.579 3.122 20 0 FGADMP Cc1ccc(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000369397998 499399620 /nfs/dbraw/zinc/39/96/20/499399620.db2.gz KXZIPICTQXZFOA-OAQYLSRUSA-N 2 1 359.558 3.173 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000369514114 499410963 /nfs/dbraw/zinc/41/09/63/499410963.db2.gz XRSBJGHMILIIBM-ROUUACIJSA-N 2 1 361.534 3.085 20 0 FGADMP CSc1ccc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000369646016 499431045 /nfs/dbraw/zinc/43/10/45/499431045.db2.gz GNWDCQOPHSHZBI-UHFFFAOYSA-N 2 1 361.555 3.089 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000369746935 499440294 /nfs/dbraw/zinc/44/02/94/499440294.db2.gz WCZYYSSMGFZJLR-SFHVURJKSA-N 2 1 361.534 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000369746935 499440295 /nfs/dbraw/zinc/44/02/95/499440295.db2.gz WCZYYSSMGFZJLR-SFHVURJKSA-N 2 1 361.534 3.068 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000373698964 499483927 /nfs/dbraw/zinc/48/39/27/499483927.db2.gz WFYXLTRAOKUMEG-BHIFYINESA-N 2 1 358.526 3.204 20 0 FGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)ccc1OC ZINC000378510725 499525954 /nfs/dbraw/zinc/52/59/54/499525954.db2.gz INNAKQAZBCWEFN-HNAYVOBHSA-N 2 1 356.514 3.468 20 0 FGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(SC)cc1OC ZINC000375505496 499526631 /nfs/dbraw/zinc/52/66/31/499526631.db2.gz HGVYMIJBJBIEKB-UHFFFAOYSA-N 2 1 350.528 3.486 20 0 FGADMP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000378568177 499532649 /nfs/dbraw/zinc/53/26/49/499532649.db2.gz JPTBJWKXWJLKLR-SJORKVTESA-N 2 1 359.514 3.127 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654832 499542649 /nfs/dbraw/zinc/54/26/49/499542649.db2.gz KCESAEXKOSOUFG-UIFIKXQLSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654832 499542651 /nfs/dbraw/zinc/54/26/51/499542651.db2.gz KCESAEXKOSOUFG-UIFIKXQLSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000383806467 499547254 /nfs/dbraw/zinc/54/72/54/499547254.db2.gz ZXLRQKVQJGDQNL-GIVPXCGWSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(=O)[nH]n1 ZINC000375894659 499565917 /nfs/dbraw/zinc/56/59/17/499565917.db2.gz GAQOJDDBFPOWRD-TXJVSEOTSA-N 2 1 352.482 3.134 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(=O)[nH]n1 ZINC000375894659 499565918 /nfs/dbraw/zinc/56/59/18/499565918.db2.gz GAQOJDDBFPOWRD-TXJVSEOTSA-N 2 1 352.482 3.134 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000579336786 506150120 /nfs/dbraw/zinc/15/01/20/506150120.db2.gz XDCVMMCCEDDVJL-RJGXRXQPSA-N 3 1 371.569 3.166 20 0 FGADMP CN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000579336786 506150125 /nfs/dbraw/zinc/15/01/25/506150125.db2.gz XDCVMMCCEDDVJL-RJGXRXQPSA-N 2 1 371.569 3.166 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000401766763 499569572 /nfs/dbraw/zinc/56/95/72/499569572.db2.gz LYPCEELYARUGQT-UHFFFAOYSA-N 2 1 373.092 3.277 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccccc1 ZINC000376161031 499587483 /nfs/dbraw/zinc/58/74/83/499587483.db2.gz GDOONDMIUUDJIM-FUHWJXTLSA-N 2 1 355.448 3.296 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC4(CCCO4)CC3)c2)CCO1 ZINC000376398081 499605774 /nfs/dbraw/zinc/60/57/74/499605774.db2.gz FXGSYYQVGDJNCD-XTWGIRIWSA-N 2 1 358.526 3.489 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CCCO4)CC3)c2)CCO1 ZINC000376398081 499605776 /nfs/dbraw/zinc/60/57/76/499605776.db2.gz FXGSYYQVGDJNCD-XTWGIRIWSA-N 2 1 358.526 3.489 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417071 499607303 /nfs/dbraw/zinc/60/73/03/499607303.db2.gz WLWXAYGQBROETK-BPQIPLTHSA-N 2 1 368.468 3.310 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633122 499624651 /nfs/dbraw/zinc/62/46/51/499624651.db2.gz CJRZGWBBQZNTHP-MJUUVYJYSA-N 2 1 355.526 3.030 20 0 FGADMP CN(C(=O)N[C@H]1CC[NH+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376676554 499627975 /nfs/dbraw/zinc/62/79/75/499627975.db2.gz BFFBPZKVKCNQTP-DAABDDCCSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376676554 499627976 /nfs/dbraw/zinc/62/79/76/499627976.db2.gz BFFBPZKVKCNQTP-DAABDDCCSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376676554 499627977 /nfs/dbraw/zinc/62/79/77/499627977.db2.gz BFFBPZKVKCNQTP-DAABDDCCSA-N 2 1 362.562 3.050 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573250824 506153256 /nfs/dbraw/zinc/15/32/56/506153256.db2.gz DUKISQSIYFRPDX-GVDBMIGSSA-N 2 1 369.912 3.493 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573250824 506153261 /nfs/dbraw/zinc/15/32/61/506153261.db2.gz DUKISQSIYFRPDX-GVDBMIGSSA-N 2 1 369.912 3.493 20 0 FGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000376940221 499648012 /nfs/dbraw/zinc/64/80/12/499648012.db2.gz FVVCAOWEHRULJR-VAMGGRTRSA-N 2 1 352.563 3.452 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355891 499657300 /nfs/dbraw/zinc/65/73/00/499657300.db2.gz AGZHTSJZLAOOGU-MSOLQXFVSA-N 2 1 359.514 3.405 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000377132169 499664706 /nfs/dbraw/zinc/66/47/06/499664706.db2.gz WUYFQUWGTPOBIB-JRRMTSHWSA-N 2 1 358.526 3.357 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000377168046 499667672 /nfs/dbraw/zinc/66/76/72/499667672.db2.gz HXOQEXYVQSFQDI-ZWKOTPCHSA-N 2 1 374.529 3.156 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nnc3cc(C)ccn32)CC1 ZINC000377242781 499673219 /nfs/dbraw/zinc/67/32/19/499673219.db2.gz SPGHDNVTJLSHIV-UHFFFAOYSA-N 2 1 352.486 3.202 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(OC)c1O ZINC000377617290 499710918 /nfs/dbraw/zinc/71/09/18/499710918.db2.gz AJNNIDHAXVMRSC-XLIONFOSSA-N 2 1 356.466 3.192 20 0 FGADMP Cn1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377617361 499710966 /nfs/dbraw/zinc/71/09/66/499710966.db2.gz ANDPCSJCPOPIER-OAQYLSRUSA-N 2 1 373.589 3.068 20 0 FGADMP Cn1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377617361 499710968 /nfs/dbraw/zinc/71/09/68/499710968.db2.gz ANDPCSJCPOPIER-OAQYLSRUSA-N 2 1 373.589 3.068 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377618191 499711127 /nfs/dbraw/zinc/71/11/27/499711127.db2.gz BRHOKMZDTDAEAF-GCJKJVERSA-N 2 1 357.542 3.032 20 0 FGADMP Cc1ccc2cc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377621143 499711401 /nfs/dbraw/zinc/71/14/01/499711401.db2.gz AWXZBJKMFFMPMA-OAQYLSRUSA-N 2 1 352.526 3.144 20 0 FGADMP CN1CCN([C@H]2CCCC[N@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680486 499718926 /nfs/dbraw/zinc/71/89/26/499718926.db2.gz VQARIAXDSISRBN-PZJWPPBQSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680486 499718928 /nfs/dbraw/zinc/71/89/28/499718928.db2.gz VQARIAXDSISRBN-PZJWPPBQSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680486 499718929 /nfs/dbraw/zinc/71/89/29/499718929.db2.gz VQARIAXDSISRBN-PZJWPPBQSA-N 2 1 359.583 3.119 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377817170 499738084 /nfs/dbraw/zinc/73/80/84/499738084.db2.gz PYDYZKGCGWJFGT-IBGZPJMESA-N 2 1 352.482 3.428 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)cc(Br)c1 ZINC000411434254 499739883 /nfs/dbraw/zinc/73/98/83/499739883.db2.gz YRHKJWIUXLLTII-UHFFFAOYSA-N 2 1 374.754 3.172 20 0 FGADMP COCCOc1cccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)c1 ZINC000377927771 499748723 /nfs/dbraw/zinc/74/87/23/499748723.db2.gz ZTWBXTVIDMSNAR-UHFFFAOYSA-N 2 1 369.509 3.203 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000414140723 499763921 /nfs/dbraw/zinc/76/39/21/499763921.db2.gz HZWRNONRFKZYLD-MNEFBYGVSA-N 2 1 363.521 3.444 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414198933 499767878 /nfs/dbraw/zinc/76/78/78/499767878.db2.gz XADVQTYTXACEKI-IRXDYDNUSA-N 2 1 350.503 3.103 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCCOC2)O1 ZINC000411674680 499776140 /nfs/dbraw/zinc/77/61/40/499776140.db2.gz IWKPIKIPJSBPBC-SIKLNZKXSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCCOC2)O1 ZINC000411674680 499776142 /nfs/dbraw/zinc/77/61/42/499776142.db2.gz IWKPIKIPJSBPBC-SIKLNZKXSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@@H]1OCC[C@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676845 499776652 /nfs/dbraw/zinc/77/66/52/499776652.db2.gz QGVUMJDIQJEZRO-DXIQSLLYSA-N 2 1 358.526 3.441 20 0 FGADMP COc1ccc(NC(=O)CC[NH2+]C(C)(C)C[NH+]2CCCC2)cc1Cl ZINC000411870859 499798340 /nfs/dbraw/zinc/79/83/40/499798340.db2.gz KUOVMFXTAQRFFO-UHFFFAOYSA-N 2 1 353.894 3.141 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010379 499812540 /nfs/dbraw/zinc/81/25/40/499812540.db2.gz LLSGRTVIQNKKMO-FQEVSTJZSA-N 2 1 357.498 3.092 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412043265 499816281 /nfs/dbraw/zinc/81/62/81/499816281.db2.gz NHZKGDCHQMCGDC-QZTJIDSGSA-N 2 1 357.542 3.276 20 0 FGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414662127 499818069 /nfs/dbraw/zinc/81/80/69/499818069.db2.gz YQJTVXDWAUVIPA-AAEUAGOBSA-N 2 1 356.310 3.339 20 0 FGADMP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741561 499825581 /nfs/dbraw/zinc/82/55/81/499825581.db2.gz RZSJIGLSIXPIDI-OLZOCXBDSA-N 2 1 357.420 3.143 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767716 499828567 /nfs/dbraw/zinc/82/85/67/499828567.db2.gz KHJHPTRQGTWTAL-BETUJISGSA-N 2 1 352.404 3.024 20 0 FGADMP COc1cc(Cl)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Cl ZINC000414791066 499831662 /nfs/dbraw/zinc/83/16/62/499831662.db2.gz QCPCODKIYUJRRJ-WBVHZDCISA-N 2 1 359.297 3.330 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000414895418 499842778 /nfs/dbraw/zinc/84/27/78/499842778.db2.gz WWLCGCTVGWPRJN-NRFANRHFSA-N 2 1 362.477 3.375 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414936091 499846393 /nfs/dbraw/zinc/84/63/93/499846393.db2.gz BGLXTZMIIUEXGB-IUODEOHRSA-N 2 1 371.319 3.334 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414940949 499847065 /nfs/dbraw/zinc/84/70/65/499847065.db2.gz CCHFWFNIWCSPTB-BLLLJJGKSA-N 2 1 363.303 3.173 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000414947633 499847598 /nfs/dbraw/zinc/84/75/98/499847598.db2.gz KYYLDQIKQPDUCX-ONGXEEELSA-N 2 1 362.109 3.442 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414963213 499849427 /nfs/dbraw/zinc/84/94/27/499849427.db2.gz CVHVCELDOOQGSI-QGZVFWFLSA-N 2 1 366.431 3.428 20 0 FGADMP Fc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1C(F)(F)F ZINC000415058104 499859416 /nfs/dbraw/zinc/85/94/16/499859416.db2.gz SJQGRUMGHBHHDD-UHFFFAOYSA-N 2 1 359.411 3.151 20 0 FGADMP Fc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(C(F)(F)F)c1 ZINC000415057701 499859473 /nfs/dbraw/zinc/85/94/73/499859473.db2.gz SGPYZMCMNBIFTQ-UHFFFAOYSA-N 2 1 359.411 3.151 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072083 499861025 /nfs/dbraw/zinc/86/10/25/499861025.db2.gz XOGDGKCMLTUMOP-MLGOLLRUSA-N 2 1 373.419 3.409 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000415116371 499865697 /nfs/dbraw/zinc/86/56/97/499865697.db2.gz XXCOSRQNFGWJAP-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@H]1C[NH3+] ZINC000415119988 499866193 /nfs/dbraw/zinc/86/61/93/499866193.db2.gz FPLXGKSFKOCFFO-PKOBYXMFSA-N 2 1 361.493 3.351 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H]1C[NH3+] ZINC000415123197 499866651 /nfs/dbraw/zinc/86/66/51/499866651.db2.gz JEBSBURDQUQRNM-IEBWSBKVSA-N 2 1 361.493 3.351 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127850 499867506 /nfs/dbraw/zinc/86/75/06/499867506.db2.gz NJWGEQCQGMROBG-CXAGYDPISA-N 2 1 367.419 3.196 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960583 499933687 /nfs/dbraw/zinc/93/36/87/499933687.db2.gz QIIHHJOFAVGVIL-XJKSGUPXSA-N 2 1 370.419 3.112 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415981475 499937233 /nfs/dbraw/zinc/93/72/33/499937233.db2.gz JIQGKEBPTSVXIM-HXUWFJFHSA-N 2 1 352.482 3.144 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417050382 499958241 /nfs/dbraw/zinc/95/82/41/499958241.db2.gz WUCHRMJCNWODRV-HSALFYBXSA-N 2 1 364.578 3.062 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416231251 499988764 /nfs/dbraw/zinc/98/87/64/499988764.db2.gz AZOPOPNFJHSFQI-HXUWFJFHSA-N 2 1 357.498 3.253 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417230584 500011643 /nfs/dbraw/zinc/01/16/43/500011643.db2.gz ZJUWZIVGETYTIW-SFHVURJKSA-N 2 1 372.557 3.250 20 0 FGADMP COCC[N@@H+](C)C[C@@H](O)CN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000570461644 506172431 /nfs/dbraw/zinc/17/24/31/506172431.db2.gz SPDZDQNSXKYOGA-MRXNPFEDSA-N 2 1 373.324 3.022 20 0 FGADMP COCCN(C)C[C@@H](O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000570461644 506172435 /nfs/dbraw/zinc/17/24/35/506172435.db2.gz SPDZDQNSXKYOGA-MRXNPFEDSA-N 2 1 373.324 3.022 20 0 FGADMP COCCN(C)C[C@@H](O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000570461644 506172438 /nfs/dbraw/zinc/17/24/38/506172438.db2.gz SPDZDQNSXKYOGA-MRXNPFEDSA-N 2 1 373.324 3.022 20 0 FGADMP Cc1cc(F)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(F)c1 ZINC000425337517 500078492 /nfs/dbraw/zinc/07/84/92/500078492.db2.gz NAYHGKMARAUFPH-UHFFFAOYSA-N 2 1 351.485 3.123 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000417585542 500117968 /nfs/dbraw/zinc/11/79/68/500117968.db2.gz PIQXGVYUEBYVOZ-SJORKVTESA-N 2 1 360.546 3.406 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1Cl ZINC000416863236 500141372 /nfs/dbraw/zinc/14/13/72/500141372.db2.gz ZEDYNQYNFVBAFD-IIDMSEBBSA-N 2 1 366.937 3.007 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000414065630 500143310 /nfs/dbraw/zinc/14/33/10/500143310.db2.gz GFHLXSLBXDIQPR-NQIIRXRSSA-N 2 1 353.510 3.175 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874313 500144482 /nfs/dbraw/zinc/14/44/82/500144482.db2.gz PIERSMKDQORVGZ-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC1CCC([NH3+])CC1 ZINC000417675613 500146073 /nfs/dbraw/zinc/14/60/73/500146073.db2.gz CDTOVFIJIQTUEU-MHJFOBGBSA-N 2 1 372.557 3.029 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000416969804 500169962 /nfs/dbraw/zinc/16/99/62/500169962.db2.gz COOFFKZYSDHBLW-DZFGPLHGSA-N 2 1 370.541 3.097 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416977562 500173185 /nfs/dbraw/zinc/17/31/85/500173185.db2.gz QDBINEZWTRWUEE-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000416985555 500175574 /nfs/dbraw/zinc/17/55/74/500175574.db2.gz YOJBUPDOFZJIJT-RBUKOAKNSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416990508 500177561 /nfs/dbraw/zinc/17/75/61/500177561.db2.gz NFFGSOKIVAOCNR-CEXWTWQISA-N 2 1 374.573 3.481 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417827168 500179660 /nfs/dbraw/zinc/17/96/60/500179660.db2.gz CWIYCZHVDJVQBV-IEBWSBKVSA-N 2 1 358.530 3.000 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417843635 500182420 /nfs/dbraw/zinc/18/24/20/500182420.db2.gz QVEGVOIPQSECDR-MISYRCLQSA-N 2 1 360.546 3.054 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000417859679 500185890 /nfs/dbraw/zinc/18/58/90/500185890.db2.gz SGWKWDFIKMPJEL-INIZCTEOSA-N 2 1 369.513 3.273 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000417874485 500189462 /nfs/dbraw/zinc/18/94/62/500189462.db2.gz KLRLDQJJBLNAEG-FXAWDEMLSA-N 2 1 360.546 3.187 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)c3ccc(Cl)c(C)c3)CC2)CC1 ZINC000422013160 500197948 /nfs/dbraw/zinc/19/79/48/500197948.db2.gz DZVSRSDAHALZNV-UHFFFAOYSA-N 2 1 363.933 3.281 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417978807 500208071 /nfs/dbraw/zinc/20/80/71/500208071.db2.gz DJMKGMYKGOJEGP-ZLIFDBKOSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417978807 500208072 /nfs/dbraw/zinc/20/80/72/500208072.db2.gz DJMKGMYKGOJEGP-ZLIFDBKOSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417984013 500209438 /nfs/dbraw/zinc/20/94/38/500209438.db2.gz CCFIKUODZPJMSJ-YYWHXJBOSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417996479 500211740 /nfs/dbraw/zinc/21/17/40/500211740.db2.gz GSLBVFDPBYFFBH-SJORKVTESA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417996479 500211743 /nfs/dbraw/zinc/21/17/43/500211743.db2.gz GSLBVFDPBYFFBH-SJORKVTESA-N 2 1 370.900 3.041 20 0 FGADMP C[N@H+](CCCc1cccc(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941320 500214742 /nfs/dbraw/zinc/21/47/42/500214742.db2.gz JSOJBNAADMRREK-JOCHJYFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[N@@H+](CCCc1cccc(F)c1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941320 500214744 /nfs/dbraw/zinc/21/47/44/500214744.db2.gz JSOJBNAADMRREK-JOCHJYFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[NH+](CCCc1cccc(F)c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941320 500214745 /nfs/dbraw/zinc/21/47/45/500214745.db2.gz JSOJBNAADMRREK-JOCHJYFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[NH+](CCCc1cccc(F)c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941320 500214748 /nfs/dbraw/zinc/21/47/48/500214748.db2.gz JSOJBNAADMRREK-JOCHJYFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186674 500229620 /nfs/dbraw/zinc/22/96/20/500229620.db2.gz RTEUHSYUROVOIU-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000422186674 500229621 /nfs/dbraw/zinc/22/96/21/500229621.db2.gz RTEUHSYUROVOIU-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000422186674 500229622 /nfs/dbraw/zinc/22/96/22/500229622.db2.gz RTEUHSYUROVOIU-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418106213 500230705 /nfs/dbraw/zinc/23/07/05/500230705.db2.gz MWMGVEWLEXTSQH-OAQYLSRUSA-N 2 1 372.557 3.059 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418154266 500238926 /nfs/dbraw/zinc/23/89/26/500238926.db2.gz JMVSLZZKZNFCOJ-UXHICEINSA-N 2 1 372.557 3.119 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174862 500242878 /nfs/dbraw/zinc/24/28/78/500242878.db2.gz FHIUSKUVSNDGET-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541422 500251367 /nfs/dbraw/zinc/25/13/67/500251367.db2.gz INSUKFFQODKULL-GXTWGEPZSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541422 500251369 /nfs/dbraw/zinc/25/13/69/500251369.db2.gz INSUKFFQODKULL-GXTWGEPZSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559640 500254001 /nfs/dbraw/zinc/25/40/01/500254001.db2.gz UCAUJVVLTAXNBY-NQIIRXRSSA-N 2 1 365.521 3.294 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559640 500254004 /nfs/dbraw/zinc/25/40/04/500254004.db2.gz UCAUJVVLTAXNBY-NQIIRXRSSA-N 2 1 365.521 3.294 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317795 500260946 /nfs/dbraw/zinc/26/09/46/500260946.db2.gz BCXFPYDJLBEMDZ-WIYYLYMNSA-N 2 1 372.557 3.183 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615277 500262464 /nfs/dbraw/zinc/26/24/64/500262464.db2.gz AYSKEXVOSSVMEZ-ZFWWWQNUSA-N 2 1 370.324 3.198 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642358 500265653 /nfs/dbraw/zinc/26/56/53/500265653.db2.gz JZLWNKFYZZXLQQ-DYESRHJHSA-N 2 1 351.494 3.045 20 0 FGADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418356150 500267829 /nfs/dbraw/zinc/26/78/29/500267829.db2.gz XLHQOSQMYAYQNF-UKAVVXHISA-N 2 1 372.557 3.242 20 0 FGADMP CCC(C)(C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000430678980 500269187 /nfs/dbraw/zinc/26/91/87/500269187.db2.gz UKOUFPWUYLUPLZ-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000422704685 500287994 /nfs/dbraw/zinc/28/79/94/500287994.db2.gz QFZSTNJQOSLAFP-GCJKJVERSA-N 2 1 351.538 3.371 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000422711969 500288583 /nfs/dbraw/zinc/28/85/83/500288583.db2.gz NOLHEGBYRNDKHJ-KBMXLJTQSA-N 2 1 352.320 3.148 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721868 500289993 /nfs/dbraw/zinc/28/99/93/500289993.db2.gz WFDBEUMCWQOURP-WZYRSQIMSA-N 3 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721868 500289998 /nfs/dbraw/zinc/28/99/98/500289998.db2.gz WFDBEUMCWQOURP-WZYRSQIMSA-N 2 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721868 500290002 /nfs/dbraw/zinc/29/00/02/500290002.db2.gz WFDBEUMCWQOURP-WZYRSQIMSA-N 2 1 355.570 3.451 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418550150 500290638 /nfs/dbraw/zinc/29/06/38/500290638.db2.gz TUSBAQNTXQMWRW-UZKOGDIHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000422781152 500296915 /nfs/dbraw/zinc/29/69/15/500296915.db2.gz DTSZGGWELQQDMO-YJBOKZPZSA-N 2 1 358.530 3.079 20 0 FGADMP CCCN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000422802385 500299529 /nfs/dbraw/zinc/29/95/29/500299529.db2.gz HLBJLRXLNLGEMK-ROUUACIJSA-N 2 1 358.530 3.094 20 0 FGADMP CCCN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000422802381 500299581 /nfs/dbraw/zinc/29/95/81/500299581.db2.gz HLBJLRXLNLGEMK-MSOLQXFVSA-N 2 1 358.530 3.094 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418665363 500304074 /nfs/dbraw/zinc/30/40/74/500304074.db2.gz CAGCFYHIHKCMNR-ZWKOTPCHSA-N 2 1 352.567 3.190 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000430910740 500306021 /nfs/dbraw/zinc/30/60/21/500306021.db2.gz XJHOCHLDPSYLMW-CWJKEVGVSA-N 2 1 357.542 3.453 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422874811 500308956 /nfs/dbraw/zinc/30/89/56/500308956.db2.gz DGFHINUXFQRWBU-RLLPEYFOSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422874811 500308957 /nfs/dbraw/zinc/30/89/57/500308957.db2.gz DGFHINUXFQRWBU-RLLPEYFOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422874811 500308959 /nfs/dbraw/zinc/30/89/59/500308959.db2.gz DGFHINUXFQRWBU-RLLPEYFOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891659 500311714 /nfs/dbraw/zinc/31/17/14/500311714.db2.gz LGIHPAHGCFCZDJ-KSSFIOAISA-N 2 1 366.347 3.001 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721215 500312395 /nfs/dbraw/zinc/31/23/95/500312395.db2.gz MAGFFIMCTNXGAZ-PMACEKPBSA-N 2 1 364.578 3.048 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418788878 500323549 /nfs/dbraw/zinc/32/35/49/500323549.db2.gz LMSPVGSJNMROJC-NJDAHSKKSA-N 2 1 372.557 3.200 20 0 FGADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1Oc1ccccc1 ZINC000431040422 500326940 /nfs/dbraw/zinc/32/69/40/500326940.db2.gz MBLHSFXMQASWMR-UHFFFAOYSA-N 2 1 365.477 3.493 20 0 FGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014492 500331040 /nfs/dbraw/zinc/33/10/40/500331040.db2.gz PFRBAHPMAXRNDY-GWCFXTLKSA-N 2 1 351.800 3.110 20 0 FGADMP Cc1cc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)ccc1I ZINC000423095279 500342041 /nfs/dbraw/zinc/34/20/41/500342041.db2.gz LXMHMXGLGQJBEF-NSHDSACASA-N 2 1 367.234 3.258 20 0 FGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136765 500347442 /nfs/dbraw/zinc/34/74/42/500347442.db2.gz ZHOOESGEJQZFIN-ACESQOTJSA-N 2 1 373.585 3.235 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1Br ZINC000423158819 500349698 /nfs/dbraw/zinc/34/96/98/500349698.db2.gz DLTJMAWPWVLYCW-USXIJHARSA-N 2 1 353.304 3.004 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@H]1CCCC[NH2+]1 ZINC000423158744 500349940 /nfs/dbraw/zinc/34/99/40/500349940.db2.gz XDYNSIKSKMGUNH-QIIPPGSGSA-N 2 1 360.452 3.263 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2[nH]c(=O)oc2c1 ZINC000423189515 500353429 /nfs/dbraw/zinc/35/34/29/500353429.db2.gz POVYYEGUTAHCEN-LJQANCHMSA-N 2 1 354.454 3.395 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)CC1 ZINC000419331548 500354682 /nfs/dbraw/zinc/35/46/82/500354682.db2.gz CYGCMRDOOKLUQF-IPMKNSEASA-N 2 1 357.542 3.052 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)CC1 ZINC000419331550 500354832 /nfs/dbraw/zinc/35/48/32/500354832.db2.gz CYGCMRDOOKLUQF-OTWHNJEPSA-N 2 1 357.542 3.052 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000427135212 500357535 /nfs/dbraw/zinc/35/75/35/500357535.db2.gz IBGBVYCZVPDBEG-GOEBONIOSA-N 2 1 350.388 3.075 20 0 FGADMP [NH3+][C@@H](C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C1CCC1 ZINC000423298548 500362291 /nfs/dbraw/zinc/36/22/91/500362291.db2.gz ONCUYBVWOGHNQW-OAQYLSRUSA-N 2 1 363.505 3.048 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423303538 500362533 /nfs/dbraw/zinc/36/25/33/500362533.db2.gz XFBAKSPXISZRNQ-ZACQAIPSSA-N 2 1 357.498 3.091 20 0 FGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423303397 500362672 /nfs/dbraw/zinc/36/26/72/500362672.db2.gz XAWYKTCNTSKOID-WMZOPIPTSA-N 2 1 367.559 3.029 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000423332292 500364550 /nfs/dbraw/zinc/36/45/50/500364550.db2.gz QSJZDTCJFNOILL-MRXNPFEDSA-N 2 1 351.494 3.273 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000423361234 500367368 /nfs/dbraw/zinc/36/73/68/500367368.db2.gz MHVLGRJYRRHDJL-UHFFFAOYSA-N 2 1 353.510 3.219 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423366817 500367457 /nfs/dbraw/zinc/36/74/57/500367457.db2.gz CHOOADZIBBIAAK-ZVDOUQERSA-N 2 1 372.534 3.347 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(I)c1 ZINC000423394059 500370124 /nfs/dbraw/zinc/37/01/24/500370124.db2.gz ZJQVPPWJADRQLP-JFGNBEQYSA-N 2 1 362.230 3.221 20 0 FGADMP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423400518 500370637 /nfs/dbraw/zinc/37/06/37/500370637.db2.gz FOSCDYSKVFWAHJ-XLIONFOSSA-N 2 1 353.510 3.349 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275916 500376968 /nfs/dbraw/zinc/37/69/68/500376968.db2.gz VEEMTODHOQMPIP-ROUUACIJSA-N 2 1 359.514 3.126 20 0 FGADMP Clc1ccccc1C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000423511399 500380468 /nfs/dbraw/zinc/38/04/68/500380468.db2.gz OVSMNVUWBQZRLS-GRERDSQWSA-N 2 1 361.961 3.467 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423513384 500381377 /nfs/dbraw/zinc/38/13/77/500381377.db2.gz LHRZRCKPUQMOPT-IERDGZPVSA-N 2 1 358.457 3.434 20 0 FGADMP CC[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[N@@H+](C)Cc1ccccc1 ZINC000423651778 500392416 /nfs/dbraw/zinc/39/24/16/500392416.db2.gz QFCWVTCQMXAMMQ-LJQANCHMSA-N 2 1 353.466 3.018 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000427444877 500394088 /nfs/dbraw/zinc/39/40/88/500394088.db2.gz VJYFHQXQAOJNNV-NRFANRHFSA-N 2 1 355.526 3.419 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805303 500403282 /nfs/dbraw/zinc/40/32/82/500403282.db2.gz CVRPGOIQKFXAJO-HZPDHXFCSA-N 2 1 355.885 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805303 500403285 /nfs/dbraw/zinc/40/32/85/500403285.db2.gz CVRPGOIQKFXAJO-HZPDHXFCSA-N 2 1 355.885 3.104 20 0 FGADMP CCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423811458 500404331 /nfs/dbraw/zinc/40/43/31/500404331.db2.gz PLPNZTUHGUOOMF-INIZCTEOSA-N 2 1 358.313 3.201 20 0 FGADMP CC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897080 500417386 /nfs/dbraw/zinc/41/73/86/500417386.db2.gz HCEDBTFJYJIMHT-RZUBCFFCSA-N 2 1 355.526 3.032 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907639 500418526 /nfs/dbraw/zinc/41/85/26/500418526.db2.gz RONUYNURHYDODC-UWHLTILDSA-N 2 1 355.526 3.017 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423917977 500419063 /nfs/dbraw/zinc/41/90/63/500419063.db2.gz ZRORKTWXNMFHGS-PMXSJFBMSA-N 2 1 357.542 3.119 20 0 FGADMP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000431778002 500423143 /nfs/dbraw/zinc/42/31/43/500423143.db2.gz FXKIAJAOVLPSCG-AVRDEDQJSA-N 2 1 365.521 3.242 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cc1)C1CC1 ZINC000424011810 500436091 /nfs/dbraw/zinc/43/60/91/500436091.db2.gz ZFJDIPPBCIMXHI-JOCHJYFZSA-N 2 1 363.505 3.458 20 0 FGADMP O=C(c1cc2sccc2s1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420300257 500436557 /nfs/dbraw/zinc/43/65/57/500436557.db2.gz JTVBOZQLPAVQLF-AWEZNQCLSA-N 2 1 363.552 3.110 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000420299946 500436864 /nfs/dbraw/zinc/43/68/64/500436864.db2.gz BYHRAXCUBGWFPG-HFBAOOFYSA-N 2 1 357.267 3.026 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000420321286 500440853 /nfs/dbraw/zinc/44/08/53/500440853.db2.gz RCYNXMGOGNPMJO-IBGZPJMESA-N 2 1 350.466 3.055 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000420321286 500440855 /nfs/dbraw/zinc/44/08/55/500440855.db2.gz RCYNXMGOGNPMJO-IBGZPJMESA-N 2 1 350.466 3.055 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317828 500441063 /nfs/dbraw/zinc/44/10/63/500441063.db2.gz NGHGNKGDWREZMC-PZJWPPBQSA-N 2 1 353.510 3.338 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324177 500441625 /nfs/dbraw/zinc/44/16/25/500441625.db2.gz GWVLTTJEYZNXKJ-NHCUHLMSSA-N 2 1 355.526 3.134 20 0 FGADMP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420366127 500448629 /nfs/dbraw/zinc/44/86/29/500448629.db2.gz FNBASCBSCVLGBH-CKEIUWERSA-N 2 1 353.304 3.211 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000420377847 500451280 /nfs/dbraw/zinc/45/12/80/500451280.db2.gz LKDBHFCLPXRMGL-MJGOQNOKSA-N 2 1 351.560 3.450 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420376779 500451377 /nfs/dbraw/zinc/45/13/77/500451377.db2.gz RJRBOERTFUVHQH-YLJYHZDGSA-N 2 1 372.488 3.001 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420376779 500451378 /nfs/dbraw/zinc/45/13/78/500451378.db2.gz RJRBOERTFUVHQH-YLJYHZDGSA-N 2 1 372.488 3.001 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420387171 500453676 /nfs/dbraw/zinc/45/36/76/500453676.db2.gz JWOZQUUCRNUMOU-TZIWHRDSSA-N 2 1 360.498 3.006 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401286 500455650 /nfs/dbraw/zinc/45/56/50/500455650.db2.gz PEOZZJCQVREIFO-KPLVRAHFSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401286 500455654 /nfs/dbraw/zinc/45/56/54/500455654.db2.gz PEOZZJCQVREIFO-KPLVRAHFSA-N 2 1 365.521 3.481 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411132 500457469 /nfs/dbraw/zinc/45/74/69/500457469.db2.gz XFJYUQMEDIBUQO-DQLDELGASA-N 2 1 370.541 3.091 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420412610 500457730 /nfs/dbraw/zinc/45/77/30/500457730.db2.gz ZKABXZGEXWUQLG-COPCDDAFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420412610 500457732 /nfs/dbraw/zinc/45/77/32/500457732.db2.gz ZKABXZGEXWUQLG-COPCDDAFSA-N 2 1 369.553 3.278 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424258949 500476261 /nfs/dbraw/zinc/47/62/61/500476261.db2.gz CLWYTDUWSGDXFS-FQEVSTJZSA-N 2 1 372.582 3.434 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCOc1cc(F)cc(Br)c1)CC[NH2+]CC2 ZINC000424286680 500481930 /nfs/dbraw/zinc/48/19/30/500481930.db2.gz HRPILWIFVRQQFJ-ZDUSSCGKSA-N 2 1 371.294 3.431 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)N[C@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301161 500483290 /nfs/dbraw/zinc/48/32/90/500483290.db2.gz XHHLCPNPYQRNCE-PXNSSMCTSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424371675 500493363 /nfs/dbraw/zinc/49/33/63/500493363.db2.gz DXYSZXUNPCBDQJ-LJQANCHMSA-N 3 1 370.585 3.181 20 0 FGADMP COc1sc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Br ZINC000424388058 500495488 /nfs/dbraw/zinc/49/54/88/500495488.db2.gz ZBWVJFJONRLOJQ-LLVKDONJSA-N 2 1 359.333 3.483 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424441259 500505887 /nfs/dbraw/zinc/50/58/87/500505887.db2.gz WNUUEISSXGTDTA-KRWDZBQOSA-N 2 1 352.482 3.192 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424441259 500505888 /nfs/dbraw/zinc/50/58/88/500505888.db2.gz WNUUEISSXGTDTA-KRWDZBQOSA-N 2 1 352.482 3.192 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)sc1Br ZINC000432369522 500506400 /nfs/dbraw/zinc/50/64/00/500506400.db2.gz WDECULXNQHKKSW-CYBMUJFWSA-N 2 1 361.349 3.410 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)sc1Br ZINC000432369522 500506403 /nfs/dbraw/zinc/50/64/03/500506403.db2.gz WDECULXNQHKKSW-CYBMUJFWSA-N 2 1 361.349 3.410 20 0 FGADMP C[C@@H](CC1CCOCC1)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442078 500510461 /nfs/dbraw/zinc/51/04/61/500510461.db2.gz ZAIVUJOLRYGSBP-SIKLNZKXSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442078 500510463 /nfs/dbraw/zinc/51/04/63/500510463.db2.gz ZAIVUJOLRYGSBP-SIKLNZKXSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428442078 500510466 /nfs/dbraw/zinc/51/04/66/500510466.db2.gz ZAIVUJOLRYGSBP-SIKLNZKXSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428442078 500510468 /nfs/dbraw/zinc/51/04/68/500510468.db2.gz ZAIVUJOLRYGSBP-SIKLNZKXSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420941613 500536936 /nfs/dbraw/zinc/53/69/36/500536936.db2.gz TVWYWTINUFOZKT-ZRCGQRJVSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420941613 500536939 /nfs/dbraw/zinc/53/69/39/500536939.db2.gz TVWYWTINUFOZKT-ZRCGQRJVSA-N 2 1 371.569 3.356 20 0 FGADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000420948244 500538639 /nfs/dbraw/zinc/53/86/39/500538639.db2.gz PMYTUZLBEVMPQL-UHFFFAOYSA-N 2 1 374.912 3.152 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OC(C)C)cc3)CC2)CC1 ZINC000420984380 500547916 /nfs/dbraw/zinc/54/79/16/500547916.db2.gz SVDNFTIQQHRBAL-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000428800286 500558784 /nfs/dbraw/zinc/55/87/84/500558784.db2.gz LKYHWEZRRXLXGU-OALUTQOASA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593979 500602807 /nfs/dbraw/zinc/60/28/07/500602807.db2.gz KAZLKAZFSRWKIN-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593971 500602857 /nfs/dbraw/zinc/60/28/57/500602857.db2.gz KAZLKAZFSRWKIN-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)N1CCC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433048151 500613580 /nfs/dbraw/zinc/61/35/80/500613580.db2.gz MCMOHTHJTCUNEK-NRFANRHFSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Br)ccc1F ZINC000442880224 500638522 /nfs/dbraw/zinc/63/85/22/500638522.db2.gz WZUTZWPKQVPHEV-CYBMUJFWSA-N 2 1 372.326 3.265 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OCc1cccnc1 ZINC000442932600 500649030 /nfs/dbraw/zinc/64/90/30/500649030.db2.gz YDKCWMMLUGDZPX-KRWDZBQOSA-N 2 1 355.482 3.230 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061206 500671443 /nfs/dbraw/zinc/67/14/43/500671443.db2.gz RDLHVWLPSWMXCB-ZIAGYGMSSA-N 2 1 353.894 3.045 20 0 FGADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1Br ZINC000447934966 500692689 /nfs/dbraw/zinc/69/26/89/500692689.db2.gz CPMQPABVPBJYED-ZDUSSCGKSA-N 2 1 357.340 3.093 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000437857910 500708037 /nfs/dbraw/zinc/70/80/37/500708037.db2.gz IZNMKSADGJIJRF-SKINQDTJSA-N 2 1 362.562 3.100 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000433588796 500717281 /nfs/dbraw/zinc/71/72/81/500717281.db2.gz BDFOBNAOFZTNEI-CUBKBFNLSA-N 2 1 374.573 3.500 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000448214041 500734085 /nfs/dbraw/zinc/73/40/85/500734085.db2.gz PABTYKHVAJKPJU-SLFFLAALSA-N 2 1 366.594 3.022 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252166 500738956 /nfs/dbraw/zinc/73/89/56/500738956.db2.gz LZHVGDACBGMKDT-SCTDSRPQSA-N 2 1 364.578 3.059 20 0 FGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(F)c(F)c1 ZINC000443601910 500743838 /nfs/dbraw/zinc/74/38/38/500743838.db2.gz OMELEJDJWVPXEW-UHFFFAOYSA-N 2 1 365.468 3.491 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619481 500745908 /nfs/dbraw/zinc/74/59/08/500745908.db2.gz QQMGVEFISVVENE-FUHWJXTLSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619481 500745910 /nfs/dbraw/zinc/74/59/10/500745910.db2.gz QQMGVEFISVVENE-FUHWJXTLSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619481 500745912 /nfs/dbraw/zinc/74/59/12/500745912.db2.gz QQMGVEFISVVENE-FUHWJXTLSA-N 2 1 370.459 3.273 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000448354874 500752266 /nfs/dbraw/zinc/75/22/66/500752266.db2.gz LSGMUTRWFSOQGB-OAQYLSRUSA-N 2 1 359.558 3.464 20 0 FGADMP O[C@@]1(C[NH2+]CCCCOc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000438191560 500752868 /nfs/dbraw/zinc/75/28/68/500752868.db2.gz OYYBHTIYOWNTBJ-JOCHJYFZSA-N 2 1 354.494 3.072 20 0 FGADMP O[C@@]1(C[NH2+]CCCCOc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000438191560 500752871 /nfs/dbraw/zinc/75/28/71/500752871.db2.gz OYYBHTIYOWNTBJ-JOCHJYFZSA-N 2 1 354.494 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468113 500762438 /nfs/dbraw/zinc/76/24/38/500762438.db2.gz UAMWYAGBCUVOAE-MMKMLUHNSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468113 500762440 /nfs/dbraw/zinc/76/24/40/500762440.db2.gz UAMWYAGBCUVOAE-MMKMLUHNSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468113 500762442 /nfs/dbraw/zinc/76/24/42/500762442.db2.gz UAMWYAGBCUVOAE-MMKMLUHNSA-N 2 1 372.557 3.194 20 0 FGADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438319471 500768983 /nfs/dbraw/zinc/76/89/83/500768983.db2.gz HNSQHDZJCGTRAE-LJQANCHMSA-N 2 1 362.562 3.053 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(C(F)(F)F)s2)C[C@H](C)O1 ZINC000443971118 500785615 /nfs/dbraw/zinc/78/56/15/500785615.db2.gz TXSPATPBMFQCCF-TXEJJXNPSA-N 2 1 351.438 3.141 20 0 FGADMP C[C@H](C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000444024655 500793881 /nfs/dbraw/zinc/79/38/81/500793881.db2.gz XQWVJJKKSHFBEO-CEXWTWQISA-N 2 1 357.542 3.371 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434346779 500829729 /nfs/dbraw/zinc/82/97/29/500829729.db2.gz NZSYPVSSLOCILL-FQEVSTJZSA-N 2 1 364.578 3.157 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434346779 500829732 /nfs/dbraw/zinc/82/97/32/500829732.db2.gz NZSYPVSSLOCILL-FQEVSTJZSA-N 2 1 364.578 3.157 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434346779 500829733 /nfs/dbraw/zinc/82/97/33/500829733.db2.gz NZSYPVSSLOCILL-FQEVSTJZSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1sccc1C ZINC000438912203 500834478 /nfs/dbraw/zinc/83/44/78/500834478.db2.gz NYNBHASONLZVLP-SFHVURJKSA-N 2 1 365.587 3.254 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444692 500844083 /nfs/dbraw/zinc/84/40/83/500844083.db2.gz KRHQUMVTDQWZSR-RTWAWAEBSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444692 500844086 /nfs/dbraw/zinc/84/40/86/500844086.db2.gz KRHQUMVTDQWZSR-RTWAWAEBSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000434444692 500844089 /nfs/dbraw/zinc/84/40/89/500844089.db2.gz KRHQUMVTDQWZSR-RTWAWAEBSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000434444692 500844090 /nfs/dbraw/zinc/84/40/90/500844090.db2.gz KRHQUMVTDQWZSR-RTWAWAEBSA-N 2 1 355.526 3.174 20 0 FGADMP COC(=O)c1[nH]c(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000602572543 506220646 /nfs/dbraw/zinc/22/06/46/506220646.db2.gz QHUAXCYOEPKVQT-CQSZACIVSA-N 2 1 352.438 3.455 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C(C)C ZINC000434662725 500875350 /nfs/dbraw/zinc/87/53/50/500875350.db2.gz CTLNBMUWGQGBFM-QGZVFWFLSA-N 2 1 360.546 3.433 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C[C@@H]2C)CC1 ZINC000439327893 500885544 /nfs/dbraw/zinc/88/55/44/500885544.db2.gz LFHNWYOIRAPONQ-ICSRJNTNSA-N 2 1 357.542 3.244 20 0 FGADMP COc1cc2ccccc2cc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000449006208 500894170 /nfs/dbraw/zinc/89/41/70/500894170.db2.gz DCHICPWOEJQRLJ-UHFFFAOYSA-N 2 1 353.510 3.062 20 0 FGADMP CN(c1ccccc1CNC[C@@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000434782076 500894321 /nfs/dbraw/zinc/89/43/21/500894321.db2.gz FELHQKFRVAASAA-QFIPXVFZSA-N 2 1 370.585 3.324 20 0 FGADMP CN(c1ccccc1CNC[C@@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000434782076 500894324 /nfs/dbraw/zinc/89/43/24/500894324.db2.gz FELHQKFRVAASAA-QFIPXVFZSA-N 2 1 370.585 3.324 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2ccccc21 ZINC000449037127 500907915 /nfs/dbraw/zinc/90/79/15/500907915.db2.gz MJRBWXMGNKYERY-XMSQKQJNSA-N 2 1 367.537 3.306 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145485 500934538 /nfs/dbraw/zinc/93/45/38/500934538.db2.gz LKQHEMSJLBPTMY-SFTDATJTSA-N 2 1 357.542 3.442 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449219205 500950802 /nfs/dbraw/zinc/95/08/02/500950802.db2.gz MTSYFJKDGGAJEK-FQEVSTJZSA-N 2 1 371.525 3.160 20 0 FGADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372155 500961708 /nfs/dbraw/zinc/96/17/08/500961708.db2.gz IWYRKUVXTWBVOU-LPHOPBHVSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372155 500961710 /nfs/dbraw/zinc/96/17/10/500961710.db2.gz IWYRKUVXTWBVOU-LPHOPBHVSA-N 2 1 370.493 3.452 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373664 500962136 /nfs/dbraw/zinc/96/21/36/500962136.db2.gz NWZLTAQILDHRET-IEBWSBKVSA-N 2 1 361.493 3.163 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000435375287 500962378 /nfs/dbraw/zinc/96/23/78/500962378.db2.gz LMKWSTPALKHAEV-NVXWUHKLSA-N 2 1 356.514 3.483 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375644 500962530 /nfs/dbraw/zinc/96/25/30/500962530.db2.gz WBCJJBQILUOOTI-XJKSGUPXSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375644 500962533 /nfs/dbraw/zinc/96/25/33/500962533.db2.gz WBCJJBQILUOOTI-XJKSGUPXSA-N 2 1 352.404 3.119 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435376743 500963307 /nfs/dbraw/zinc/96/33/07/500963307.db2.gz UJFLWPHYUQKOTA-ZNMIVQPWSA-N 2 1 358.404 3.196 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383762 500964542 /nfs/dbraw/zinc/96/45/42/500964542.db2.gz JSWMQVSZIAQCTE-HIFRSBDPSA-N 2 1 352.404 3.450 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OCc1cccnc1 ZINC000435383339 500964554 /nfs/dbraw/zinc/96/45/54/500964554.db2.gz GQESNHIBCQHBKZ-XUVXKRRUSA-N 2 1 367.493 3.228 20 0 FGADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OCc1cccnc1 ZINC000435384286 500965116 /nfs/dbraw/zinc/96/51/16/500965116.db2.gz LLLVFTLKBNFYKR-LJQANCHMSA-N 2 1 357.498 3.474 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435430486 500974252 /nfs/dbraw/zinc/97/42/52/500974252.db2.gz BYPMRPDCVOYGEI-LJQANCHMSA-N 2 1 369.534 3.252 20 0 FGADMP COc1ccc([C@H](C)C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432068 500974741 /nfs/dbraw/zinc/97/47/41/500974741.db2.gz LJUTZNVMFRIMJH-YLJYHZDGSA-N 2 1 368.525 3.177 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435626526 501004492 /nfs/dbraw/zinc/00/44/92/501004492.db2.gz OTFZIJIOXUVEPQ-AEFFLSMTSA-N 2 1 357.498 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435626526 501004496 /nfs/dbraw/zinc/00/44/96/501004496.db2.gz OTFZIJIOXUVEPQ-AEFFLSMTSA-N 2 1 357.498 3.416 20 0 FGADMP CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625094 501004841 /nfs/dbraw/zinc/00/48/41/501004841.db2.gz KJFCZXQARSBLMW-HNNXBMFYSA-N 2 1 372.340 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]CC1 ZINC000435625094 501004843 /nfs/dbraw/zinc/00/48/43/501004843.db2.gz KJFCZXQARSBLMW-HNNXBMFYSA-N 2 1 372.340 3.416 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435684655 501011236 /nfs/dbraw/zinc/01/12/36/501011236.db2.gz WBVWWRCFKBBXJG-LJQANCHMSA-N 2 1 369.534 3.252 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974209 501056843 /nfs/dbraw/zinc/05/68/43/501056843.db2.gz KFDYKBKFKFLZID-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000450339480 501094605 /nfs/dbraw/zinc/09/46/05/501094605.db2.gz AQIOLTJJPIZOQR-KDURUIRLSA-N 2 1 358.526 3.471 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000450341340 501095653 /nfs/dbraw/zinc/09/56/53/501095653.db2.gz ZPNRKNQJMXWJSK-UHFFFAOYSA-N 2 1 357.498 3.305 20 0 FGADMP CC1(C)CCc2ccccc2[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282580 501101643 /nfs/dbraw/zinc/10/16/43/501101643.db2.gz HKYJQGNAFBRNOE-UYAOXDASSA-N 2 1 357.542 3.267 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(C(F)F)cn1 ZINC000450372796 501103855 /nfs/dbraw/zinc/10/38/55/501103855.db2.gz RDKZOJDNPJMZNN-UHFFFAOYSA-N 2 1 367.488 3.047 20 0 FGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441349160 501125180 /nfs/dbraw/zinc/12/51/80/501125180.db2.gz DZWRZUDBDMMFLZ-OAQYLSRUSA-N 2 1 371.569 3.381 20 0 FGADMP Cc1ccc([C@@H]2CCC[C@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352976 501126251 /nfs/dbraw/zinc/12/62/51/501126251.db2.gz LGZDPFCDMRXLBI-FCHUYYIVSA-N 2 1 369.553 3.306 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369166 501129156 /nfs/dbraw/zinc/12/91/56/501129156.db2.gz CUKAKXMVCHDEDC-WOJBJXKFSA-N 2 1 356.510 3.386 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369166 501129160 /nfs/dbraw/zinc/12/91/60/501129160.db2.gz CUKAKXMVCHDEDC-WOJBJXKFSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369166 501129164 /nfs/dbraw/zinc/12/91/64/501129164.db2.gz CUKAKXMVCHDEDC-WOJBJXKFSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc2ccccc21 ZINC000441369166 501129165 /nfs/dbraw/zinc/12/91/65/501129165.db2.gz CUKAKXMVCHDEDC-WOJBJXKFSA-N 2 1 356.510 3.386 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400239 501133302 /nfs/dbraw/zinc/13/33/02/501133302.db2.gz DBQGRJQUXBWSCI-OXJNMPFZSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400239 501133305 /nfs/dbraw/zinc/13/33/05/501133305.db2.gz DBQGRJQUXBWSCI-OXJNMPFZSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400239 501133306 /nfs/dbraw/zinc/13/33/06/501133306.db2.gz DBQGRJQUXBWSCI-OXJNMPFZSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000441400239 501133309 /nfs/dbraw/zinc/13/33/09/501133309.db2.gz DBQGRJQUXBWSCI-OXJNMPFZSA-N 2 1 359.489 3.411 20 0 FGADMP Fc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000450484849 501133569 /nfs/dbraw/zinc/13/35/69/501133569.db2.gz NIGQVDOOAPVXFD-FCHUYYIVSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@]3(CCOC3)C2)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000450484849 501133571 /nfs/dbraw/zinc/13/35/71/501133571.db2.gz NIGQVDOOAPVXFD-FCHUYYIVSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@]3(CCOC3)C2)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000450484849 501133574 /nfs/dbraw/zinc/13/35/74/501133574.db2.gz NIGQVDOOAPVXFD-FCHUYYIVSA-N 2 1 374.500 3.051 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000446619623 501142987 /nfs/dbraw/zinc/14/29/87/501142987.db2.gz HTZJZRNWCIXOIK-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000446882388 501176717 /nfs/dbraw/zinc/17/67/17/501176717.db2.gz DHYXHFHSMXTDSY-PMVMPFDFSA-N 3 1 353.554 3.361 20 0 FGADMP CC(C)[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000447102530 501205080 /nfs/dbraw/zinc/20/50/80/501205080.db2.gz SMPKSNPRIDUFCA-KRWDZBQOSA-N 2 1 351.560 3.296 20 0 FGADMP COC[C@@]1(C)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@](C)(COC)C3)c2)C1 ZINC000451201477 501251567 /nfs/dbraw/zinc/25/15/67/501251567.db2.gz KEMHKKDTBFVUKY-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453084844 501265934 /nfs/dbraw/zinc/26/59/34/501265934.db2.gz GIOOKNYPCHUTJR-BDTNDASRSA-N 2 1 352.526 3.386 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2ccncn2)CC1 ZINC000453089382 501266369 /nfs/dbraw/zinc/26/63/69/501266369.db2.gz AZHXPBDBRFDUSE-HOTGVXAUSA-N 2 1 357.477 3.169 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453088185 501266530 /nfs/dbraw/zinc/26/65/30/501266530.db2.gz ADLBBBFFALNMKO-VSKRKVRLSA-N 2 1 369.553 3.422 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453097629 501268292 /nfs/dbraw/zinc/26/82/92/501268292.db2.gz USWPXDQVIYQCTO-BHDDXSALSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000453122159 501273280 /nfs/dbraw/zinc/27/32/80/501273280.db2.gz LGUANLSQHUCCCQ-WTIAFYNJSA-N 2 1 367.537 3.265 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000453122159 501273282 /nfs/dbraw/zinc/27/32/82/501273282.db2.gz LGUANLSQHUCCCQ-WTIAFYNJSA-N 2 1 367.537 3.265 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453120982 501273475 /nfs/dbraw/zinc/27/34/75/501273475.db2.gz KMOFODZGVSRKCS-MLCQCVOFSA-N 2 1 372.553 3.462 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453153531 501280639 /nfs/dbraw/zinc/28/06/39/501280639.db2.gz VFPKNHGVKDDFBW-BURNTYAHSA-N 2 1 355.526 3.030 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)nc1 ZINC000453179893 501286401 /nfs/dbraw/zinc/28/64/01/501286401.db2.gz PPQOVOHSAFZTKM-PWRODBHTSA-N 2 1 350.510 3.360 20 0 FGADMP COC1([C@H](C)[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179613 501286442 /nfs/dbraw/zinc/28/64/42/501286442.db2.gz UYIFFJAICJPTRK-IRFCIJBXSA-N 2 1 360.542 3.461 20 0 FGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453208528 501291713 /nfs/dbraw/zinc/29/17/13/501291713.db2.gz BYDNDIJXIDSGER-UYAOXDASSA-N 2 1 352.478 3.110 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219738 501293633 /nfs/dbraw/zinc/29/36/33/501293633.db2.gz TVTRVTKXXFPRFX-QZTJIDSGSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219738 501293636 /nfs/dbraw/zinc/29/36/36/501293636.db2.gz TVTRVTKXXFPRFX-QZTJIDSGSA-N 2 1 356.514 3.239 20 0 FGADMP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CC2 ZINC000453252984 501300156 /nfs/dbraw/zinc/30/01/56/501300156.db2.gz MYOWOBKDUGJDOV-GHDARCQNSA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)C2 ZINC000453252984 501300160 /nfs/dbraw/zinc/30/01/60/501300160.db2.gz MYOWOBKDUGJDOV-GHDARCQNSA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)C2 ZINC000453252984 501300162 /nfs/dbraw/zinc/30/01/62/501300162.db2.gz MYOWOBKDUGJDOV-GHDARCQNSA-N 2 1 350.510 3.300 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000453305034 501312045 /nfs/dbraw/zinc/31/20/45/501312045.db2.gz GPRIRZNFRWGETA-JFIYKMOQSA-N 2 1 364.530 3.353 20 0 FGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528081 501313352 /nfs/dbraw/zinc/31/33/52/501313352.db2.gz KXZYXGUHPAKSPQ-SFTDATJTSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528081 501313354 /nfs/dbraw/zinc/31/33/54/501313354.db2.gz KXZYXGUHPAKSPQ-SFTDATJTSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528081 501313356 /nfs/dbraw/zinc/31/33/56/501313356.db2.gz KXZYXGUHPAKSPQ-SFTDATJTSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528081 501313359 /nfs/dbraw/zinc/31/33/59/501313359.db2.gz KXZYXGUHPAKSPQ-SFTDATJTSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528081 501313360 /nfs/dbraw/zinc/31/33/60/501313360.db2.gz KXZYXGUHPAKSPQ-SFTDATJTSA-N 2 1 351.579 3.469 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H](C)C1 ZINC000453333489 501316773 /nfs/dbraw/zinc/31/67/73/501316773.db2.gz ITGAVRCJNYTOEI-AYWYSENESA-N 2 1 361.530 3.028 20 0 FGADMP CCC(CC)(CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458377973 501431276 /nfs/dbraw/zinc/43/12/76/501431276.db2.gz RRXBIHHTMLZAKJ-YSIASYRMSA-N 2 1 372.557 3.242 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096672 506254662 /nfs/dbraw/zinc/25/46/62/506254662.db2.gz WZOZXFMYEIOMPE-AEFFLSMTSA-N 2 1 360.498 3.011 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096672 506254669 /nfs/dbraw/zinc/25/46/69/506254669.db2.gz WZOZXFMYEIOMPE-AEFFLSMTSA-N 2 1 360.498 3.011 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454217530 501484868 /nfs/dbraw/zinc/48/48/68/501484868.db2.gz IARSTTLGOIHVLO-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000456374359 501511559 /nfs/dbraw/zinc/51/15/59/501511559.db2.gz JBRPXFAASZNOHM-KRWDZBQOSA-N 2 1 354.498 3.247 20 0 FGADMP CC[C@H]1CN(CC)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000456374359 501511561 /nfs/dbraw/zinc/51/15/61/501511561.db2.gz JBRPXFAASZNOHM-KRWDZBQOSA-N 2 1 354.498 3.247 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000458759389 501524452 /nfs/dbraw/zinc/52/44/52/501524452.db2.gz GHOYKTJVUDVVIU-FXAWDEMLSA-N 2 1 360.546 3.160 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285390 506261277 /nfs/dbraw/zinc/26/12/77/506261277.db2.gz IRIQZEIMKDXPMW-VQIMIIECSA-N 2 1 367.497 3.134 20 0 FGADMP C[C@@H](CCNC(=O)NC1CC[NH+](C2CCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000454591701 501586100 /nfs/dbraw/zinc/58/61/00/501586100.db2.gz HZABMCYRHPZHRG-SFHVURJKSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457078026 501646584 /nfs/dbraw/zinc/64/65/84/501646584.db2.gz AHZYVEIMWADLNK-HXUWFJFHSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000457094077 501649625 /nfs/dbraw/zinc/64/96/25/501649625.db2.gz ZFAHSBKCTGJVPJ-ZNMIVQPWSA-N 2 1 363.468 3.123 20 0 FGADMP CCN1CC[C@H]([NH2+]CCc2c[nH+]cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459428035 501651889 /nfs/dbraw/zinc/65/18/89/501651889.db2.gz AXWCHQCFDNKOIP-ZWKOTPCHSA-N 2 1 350.869 3.180 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccccc1Br ZINC000459434991 501653561 /nfs/dbraw/zinc/65/35/61/501653561.db2.gz IAOWYZMVYAPDHW-ZDUSSCGKSA-N 2 1 353.304 3.433 20 0 FGADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000459436910 501654080 /nfs/dbraw/zinc/65/40/80/501654080.db2.gz FZNACJXRVZOKRQ-OAHLLOKOSA-N 2 1 356.432 3.073 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454960851 501662236 /nfs/dbraw/zinc/66/22/36/501662236.db2.gz MLUBABZHHYVHMN-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581792 501681387 /nfs/dbraw/zinc/68/13/87/501681387.db2.gz QDSMNNMZLHXKHK-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581792 501681389 /nfs/dbraw/zinc/68/13/89/501681389.db2.gz QDSMNNMZLHXKHK-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581792 501681391 /nfs/dbraw/zinc/68/13/91/501681391.db2.gz QDSMNNMZLHXKHK-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581792 501681392 /nfs/dbraw/zinc/68/13/92/501681392.db2.gz QDSMNNMZLHXKHK-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464569 501703821 /nfs/dbraw/zinc/70/38/21/501703821.db2.gz VXCMBWSDHOMTQW-UXHICEINSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000474172860 501730094 /nfs/dbraw/zinc/73/00/94/501730094.db2.gz SVYJUBDBGZPZNF-NJNPRVFISA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000474172860 501730100 /nfs/dbraw/zinc/73/01/00/501730100.db2.gz SVYJUBDBGZPZNF-NJNPRVFISA-N 2 1 365.521 3.241 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000467293284 501762169 /nfs/dbraw/zinc/76/21/69/501762169.db2.gz JFJCQBYHRNGDEK-UEXGIBASSA-N 2 1 373.541 3.211 20 0 FGADMP C(CC[NH+]1CCOC2(CCCC2)C1)CC[N@H+]1CCOC2(CCCC2)C1 ZINC000485241320 501767668 /nfs/dbraw/zinc/76/76/68/501767668.db2.gz WYKVLHAEUQFHBJ-UHFFFAOYSA-N 2 1 350.547 3.447 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2C)cc1 ZINC000463736562 501806732 /nfs/dbraw/zinc/80/67/32/501806732.db2.gz WKAOHZYGOZJVMA-VQTJNVASSA-N 2 1 368.525 3.273 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2C)cc1 ZINC000463736562 501806736 /nfs/dbraw/zinc/80/67/36/501806736.db2.gz WKAOHZYGOZJVMA-VQTJNVASSA-N 2 1 368.525 3.273 20 0 FGADMP CCc1cccc(Cl)c1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000474378733 501813273 /nfs/dbraw/zinc/81/32/73/501813273.db2.gz ZGXGQAZNMYOFGA-UHFFFAOYSA-N 2 1 373.928 3.484 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885626 501842619 /nfs/dbraw/zinc/84/26/19/501842619.db2.gz FAASFIBDSMGCMR-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470885626 501842626 /nfs/dbraw/zinc/84/26/26/501842626.db2.gz FAASFIBDSMGCMR-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470885626 501842632 /nfs/dbraw/zinc/84/26/32/501842632.db2.gz FAASFIBDSMGCMR-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1C(C)(C)C1(C)C ZINC000474483440 501851269 /nfs/dbraw/zinc/85/12/69/501851269.db2.gz WQBFYJJBQAIIKQ-INIZCTEOSA-N 2 1 357.542 3.235 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474599113 501888936 /nfs/dbraw/zinc/88/89/36/501888936.db2.gz MRUIJTFRUOSONF-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000474599113 501888942 /nfs/dbraw/zinc/88/89/42/501888942.db2.gz MRUIJTFRUOSONF-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000464068474 501888950 /nfs/dbraw/zinc/88/89/50/501888950.db2.gz XKMOMLQYISLNRJ-XSEFMFLKSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000464068474 501888956 /nfs/dbraw/zinc/88/89/56/501888956.db2.gz XKMOMLQYISLNRJ-XSEFMFLKSA-N 2 1 350.506 3.405 20 0 FGADMP C([NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000464078601 501892769 /nfs/dbraw/zinc/89/27/69/501892769.db2.gz RMJWYJJDNDTDBU-HSALFYBXSA-N 2 1 350.547 3.206 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000471023395 501894456 /nfs/dbraw/zinc/89/44/56/501894456.db2.gz UOLFCOUNWQFBCY-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000471023395 501894466 /nfs/dbraw/zinc/89/44/66/501894466.db2.gz UOLFCOUNWQFBCY-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000471023395 501894473 /nfs/dbraw/zinc/89/44/73/501894473.db2.gz UOLFCOUNWQFBCY-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000471023395 501894478 /nfs/dbraw/zinc/89/44/78/501894478.db2.gz UOLFCOUNWQFBCY-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000588367373 506280705 /nfs/dbraw/zinc/28/07/05/506280705.db2.gz DGJQWUPCTBRWOC-OAHLLOKOSA-N 2 1 356.445 3.105 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038269 501954578 /nfs/dbraw/zinc/95/45/78/501954578.db2.gz YMOCIQRWXXABOT-DENIHFKCSA-N 2 1 370.541 3.141 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468111899 501961197 /nfs/dbraw/zinc/96/11/97/501961197.db2.gz ACNICWCEVDTNBF-IEBWSBKVSA-N 2 1 354.498 3.348 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468111899 501961202 /nfs/dbraw/zinc/96/12/02/501961202.db2.gz ACNICWCEVDTNBF-IEBWSBKVSA-N 2 1 354.498 3.348 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@@H]32)CC1 ZINC000485910714 501985035 /nfs/dbraw/zinc/98/50/35/501985035.db2.gz XRQWYCGKNDKLIK-VSKRKVRLSA-N 2 1 369.553 3.245 20 0 FGADMP CC(C)[NH+](CCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)C(C)C ZINC000611756694 506286227 /nfs/dbraw/zinc/28/62/27/506286227.db2.gz BRYYNIWFPRHSPF-UHFFFAOYSA-N 2 1 370.541 3.395 20 0 FGADMP CC(C)[NH+](CCCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)C(C)C ZINC000611756694 506286233 /nfs/dbraw/zinc/28/62/33/506286233.db2.gz BRYYNIWFPRHSPF-UHFFFAOYSA-N 2 1 370.541 3.395 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000482159034 501993160 /nfs/dbraw/zinc/99/31/60/501993160.db2.gz VYHWNLIHFSBPPX-AZUAARDMSA-N 2 1 363.521 3.274 20 0 FGADMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000592878326 506288376 /nfs/dbraw/zinc/28/83/76/506288376.db2.gz JICBRLZQLHEFHY-UHFFFAOYSA-N 2 1 351.922 3.010 20 0 FGADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550640 502025498 /nfs/dbraw/zinc/02/54/98/502025498.db2.gz HEFGOVOWZRBZAD-CRAIPNDOSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550640 502025500 /nfs/dbraw/zinc/02/55/00/502025500.db2.gz HEFGOVOWZRBZAD-CRAIPNDOSA-N 2 1 351.922 3.133 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043011 502032896 /nfs/dbraw/zinc/03/28/96/502032896.db2.gz RXQILAPMKDMHGN-PZJWPPBQSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043011 502032900 /nfs/dbraw/zinc/03/29/00/502032900.db2.gz RXQILAPMKDMHGN-PZJWPPBQSA-N 2 1 369.484 3.034 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394895 502092020 /nfs/dbraw/zinc/09/20/20/502092020.db2.gz QMWWXYOCOMRTDM-ZWKOTPCHSA-N 2 1 358.530 3.161 20 0 FGADMP CCN(C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475180269 502092936 /nfs/dbraw/zinc/09/29/36/502092936.db2.gz XTDZAVKFHDEGFX-QHAWAJNXSA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1F ZINC000486269941 502106232 /nfs/dbraw/zinc/10/62/32/502106232.db2.gz KQQSPHWUZHLXFQ-ZDUSSCGKSA-N 2 1 373.875 3.106 20 0 FGADMP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)oc2cc1C ZINC000482553866 502109166 /nfs/dbraw/zinc/10/91/66/502109166.db2.gz MDNKJWJBBXHELJ-IAGOWNOFSA-N 2 1 357.498 3.288 20 0 FGADMP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)oc2cc1C ZINC000482553866 502109169 /nfs/dbraw/zinc/10/91/69/502109169.db2.gz MDNKJWJBBXHELJ-IAGOWNOFSA-N 2 1 357.498 3.288 20 0 FGADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837354 502113927 /nfs/dbraw/zinc/11/39/27/502113927.db2.gz MVYNOKCCIMLMSL-HNAYVOBHSA-N 2 1 359.514 3.104 20 0 FGADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837354 502113931 /nfs/dbraw/zinc/11/39/31/502113931.db2.gz MVYNOKCCIMLMSL-HNAYVOBHSA-N 2 1 359.514 3.104 20 0 FGADMP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000461472133 502127998 /nfs/dbraw/zinc/12/79/98/502127998.db2.gz KQQFZFHVXROXBI-OAQYLSRUSA-N 2 1 357.542 3.137 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468664662 502140170 /nfs/dbraw/zinc/14/01/70/502140170.db2.gz BQKPIRQMVMDBJX-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947089 502153435 /nfs/dbraw/zinc/15/34/35/502153435.db2.gz DJTJYWHTEFBPER-RTBURBONSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000464947089 502153444 /nfs/dbraw/zinc/15/34/44/502153444.db2.gz DJTJYWHTEFBPER-RTBURBONSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000464947089 502153451 /nfs/dbraw/zinc/15/34/51/502153451.db2.gz DJTJYWHTEFBPER-RTBURBONSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)[N@@H+]1CCC[C@@H](C)C1 ZINC000468752928 502170560 /nfs/dbraw/zinc/17/05/60/502170560.db2.gz ACUMSUQIZDMNBV-FGTMMUONSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)CCCOc1ccccc1C(N)=O)[N@H+]1CCC[C@@H](C)C1 ZINC000468752928 502170565 /nfs/dbraw/zinc/17/05/65/502170565.db2.gz ACUMSUQIZDMNBV-FGTMMUONSA-N 2 1 361.530 3.043 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCSC1 ZINC000486509743 502176668 /nfs/dbraw/zinc/17/66/68/502176668.db2.gz ZZJRYCLHQZPMLB-LJQANCHMSA-N 2 1 361.555 3.438 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCSC1 ZINC000486509743 502176670 /nfs/dbraw/zinc/17/66/70/502176670.db2.gz ZZJRYCLHQZPMLB-LJQANCHMSA-N 2 1 361.555 3.438 20 0 FGADMP C[C@H](CCNC(=O)c1ccccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000486516480 502178219 /nfs/dbraw/zinc/17/82/19/502178219.db2.gz JOHKLKFBURYVDL-GOSISDBHSA-N 2 1 353.510 3.389 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000461755217 502191384 /nfs/dbraw/zinc/19/13/84/502191384.db2.gz KTCPZAMBDRHXGM-UHFFFAOYSA-N 2 1 370.497 3.042 20 0 FGADMP [NH3+]C[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227242 502198908 /nfs/dbraw/zinc/19/89/08/502198908.db2.gz SZALSALCEHLMRZ-SFTDATJTSA-N 2 1 369.484 3.039 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000461789136 502202241 /nfs/dbraw/zinc/20/22/41/502202241.db2.gz BUGLFVIFHLEPTA-FQEVSTJZSA-N 2 1 352.478 3.123 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000461795070 502203502 /nfs/dbraw/zinc/20/35/02/502203502.db2.gz KQKMWYRHKJHPON-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883336 502217134 /nfs/dbraw/zinc/21/71/34/502217134.db2.gz HRZSSELCPTVCGC-LJQANCHMSA-N 2 1 373.541 3.061 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000472082570 502224591 /nfs/dbraw/zinc/22/45/91/502224591.db2.gz INLGBYFUWWXJQU-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000468920107 502230404 /nfs/dbraw/zinc/23/04/04/502230404.db2.gz KACFCODAFZCGPE-BRSBDYLESA-N 2 1 359.514 3.107 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353434 502233237 /nfs/dbraw/zinc/23/32/37/502233237.db2.gz TZTVYCXLMVHTGC-XMTFNYHQSA-N 2 1 364.534 3.128 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000482981757 502236033 /nfs/dbraw/zinc/23/60/33/502236033.db2.gz PVKQYPWKXNDLPI-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482981757 502236038 /nfs/dbraw/zinc/23/60/38/502236038.db2.gz PVKQYPWKXNDLPI-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482981757 502236045 /nfs/dbraw/zinc/23/60/45/502236045.db2.gz PVKQYPWKXNDLPI-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000461936883 502244067 /nfs/dbraw/zinc/24/40/67/502244067.db2.gz ONFLWYKSLUVRIX-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000461946414 502247462 /nfs/dbraw/zinc/24/74/62/502247462.db2.gz GSGLERPFHKTQBF-WOJBJXKFSA-N 2 1 360.546 3.195 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147793 502290617 /nfs/dbraw/zinc/29/06/17/502290617.db2.gz CMCVUEGDBJTRQL-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147793 502290624 /nfs/dbraw/zinc/29/06/24/502290624.db2.gz CMCVUEGDBJTRQL-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147793 502290627 /nfs/dbraw/zinc/29/06/27/502290627.db2.gz CMCVUEGDBJTRQL-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530139 502291911 /nfs/dbraw/zinc/29/19/11/502291911.db2.gz NBOOMRGRESOYFQ-UXHICEINSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C(C)(C)C1 ZINC000472277896 502295837 /nfs/dbraw/zinc/29/58/37/502295837.db2.gz OCHWLOPBGUQVMP-MRXNPFEDSA-N 2 1 361.555 3.294 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000465536489 502297001 /nfs/dbraw/zinc/29/70/01/502297001.db2.gz DXUWZAHMDCKHQA-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540488 502298026 /nfs/dbraw/zinc/29/80/26/502298026.db2.gz LFKBTUYVGODXJK-PMACEKPBSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465554249 502304940 /nfs/dbraw/zinc/30/49/40/502304940.db2.gz GIKPCPONOGSJCC-DBXWQHBBSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465554249 502304944 /nfs/dbraw/zinc/30/49/44/502304944.db2.gz GIKPCPONOGSJCC-DBXWQHBBSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465554249 502304949 /nfs/dbraw/zinc/30/49/49/502304949.db2.gz GIKPCPONOGSJCC-DBXWQHBBSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608037 502323926 /nfs/dbraw/zinc/32/39/26/502323926.db2.gz UCPZVZBCQWIVLZ-UYAOXDASSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465608037 502323932 /nfs/dbraw/zinc/32/39/32/502323932.db2.gz UCPZVZBCQWIVLZ-UYAOXDASSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465608037 502323939 /nfs/dbraw/zinc/32/39/39/502323939.db2.gz UCPZVZBCQWIVLZ-UYAOXDASSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000479641218 502327791 /nfs/dbraw/zinc/32/77/91/502327791.db2.gz NKGUUQWPSZXMQO-RXVVDRJESA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000479641218 502327798 /nfs/dbraw/zinc/32/77/98/502327798.db2.gz NKGUUQWPSZXMQO-RXVVDRJESA-N 2 1 355.526 3.156 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156694 502327871 /nfs/dbraw/zinc/32/78/71/502327871.db2.gz DQJRXAAJJSYYCU-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156694 502327879 /nfs/dbraw/zinc/32/78/79/502327879.db2.gz DQJRXAAJJSYYCU-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156694 502327884 /nfs/dbraw/zinc/32/78/84/502327884.db2.gz DQJRXAAJJSYYCU-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000462156694 502327890 /nfs/dbraw/zinc/32/78/90/502327890.db2.gz DQJRXAAJJSYYCU-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266308 502334104 /nfs/dbraw/zinc/33/41/04/502334104.db2.gz JVZBBIRDGPWNFJ-WOJBJXKFSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690392 502345192 /nfs/dbraw/zinc/34/51/92/502345192.db2.gz NURPSWORCOPWDK-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP CCC[N@@H+](C)CC(=O)N[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000487085529 502353132 /nfs/dbraw/zinc/35/31/32/502353132.db2.gz LUIXOAWTXAVPJR-LJQANCHMSA-N 2 1 367.484 3.338 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465762894 502375313 /nfs/dbraw/zinc/37/53/13/502375313.db2.gz RWEPZYZTFLYKOB-SCIMBWJRSA-N 2 1 364.578 3.057 20 0 FGADMP CC(C)c1cc(NC[C@H](C)[N@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000462372310 502412158 /nfs/dbraw/zinc/41/21/58/502412158.db2.gz XMWRYYFOKKSWRJ-AWEZNQCLSA-N 2 1 359.543 3.008 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000462398093 502420866 /nfs/dbraw/zinc/42/08/66/502420866.db2.gz QARNFJWDJWDGIU-QFIPXVFZSA-N 2 1 365.477 3.493 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538063 502424832 /nfs/dbraw/zinc/42/48/32/502424832.db2.gz LHOJOVFUJMJGCQ-QKLQHJQFSA-N 2 1 352.494 3.320 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465914687 502425622 /nfs/dbraw/zinc/42/56/22/502425622.db2.gz CCUIMAIVQKCEDJ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465914687 502425627 /nfs/dbraw/zinc/42/56/27/502425627.db2.gz CCUIMAIVQKCEDJ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465914687 502425629 /nfs/dbraw/zinc/42/56/29/502425629.db2.gz CCUIMAIVQKCEDJ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000465929283 502430697 /nfs/dbraw/zinc/43/06/97/502430697.db2.gz DUZMLTSHIIKTIV-NQIIRXRSSA-N 2 1 372.557 3.200 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1)[NH+](C)C ZINC000462423160 502432830 /nfs/dbraw/zinc/43/28/30/502432830.db2.gz WXAKUIOGKMTUQJ-JXFKEZNVSA-N 2 1 370.497 3.000 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005171 502451741 /nfs/dbraw/zinc/45/17/41/502451741.db2.gz UILKRCCCKYBVAU-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000487518989 502465876 /nfs/dbraw/zinc/46/58/76/502465876.db2.gz QLLRZXUUKNZOHV-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000487518989 502465882 /nfs/dbraw/zinc/46/58/82/502465882.db2.gz QLLRZXUUKNZOHV-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000480080305 502467117 /nfs/dbraw/zinc/46/71/17/502467117.db2.gz BATCTUAGZLKHLL-FGTMMUONSA-N 2 1 353.576 3.077 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096483 502471331 /nfs/dbraw/zinc/47/13/31/502471331.db2.gz VANDBJGVSXCZBY-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096483 502471335 /nfs/dbraw/zinc/47/13/35/502471335.db2.gz VANDBJGVSXCZBY-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H]1C ZINC000469682632 502500041 /nfs/dbraw/zinc/50/00/41/502500041.db2.gz JCEOWAMEKAMSCW-OXJNMPFZSA-N 2 1 352.482 3.192 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000473183803 502538938 /nfs/dbraw/zinc/53/89/38/502538938.db2.gz CAILLLNGQOZJGW-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000473183803 502538943 /nfs/dbraw/zinc/53/89/43/502538943.db2.gz CAILLLNGQOZJGW-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000473183803 502538947 /nfs/dbraw/zinc/53/89/47/502538947.db2.gz CAILLLNGQOZJGW-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822827 502539949 /nfs/dbraw/zinc/53/99/49/502539949.db2.gz QGQATSULXOCEFY-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822827 502539954 /nfs/dbraw/zinc/53/99/54/502539954.db2.gz QGQATSULXOCEFY-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822827 502539960 /nfs/dbraw/zinc/53/99/60/502539960.db2.gz QGQATSULXOCEFY-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000480330520 502540570 /nfs/dbraw/zinc/54/05/70/502540570.db2.gz RKCCSVBHQQGBOR-UGKGYDQZSA-N 2 1 370.541 3.141 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749072 502557217 /nfs/dbraw/zinc/55/72/17/502557217.db2.gz GWKGLJIZUAQGBK-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749072 502557223 /nfs/dbraw/zinc/55/72/23/502557223.db2.gz GWKGLJIZUAQGBK-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749072 502557227 /nfs/dbraw/zinc/55/72/27/502557227.db2.gz GWKGLJIZUAQGBK-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749070 502557250 /nfs/dbraw/zinc/55/72/50/502557250.db2.gz GWKGLJIZUAQGBK-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749070 502557257 /nfs/dbraw/zinc/55/72/57/502557257.db2.gz GWKGLJIZUAQGBK-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749070 502557263 /nfs/dbraw/zinc/55/72/63/502557263.db2.gz GWKGLJIZUAQGBK-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484127002 502577314 /nfs/dbraw/zinc/57/73/14/502577314.db2.gz GPGNWPMQFJDETO-VJBMBRPKSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484127002 502577319 /nfs/dbraw/zinc/57/73/19/502577319.db2.gz GPGNWPMQFJDETO-VJBMBRPKSA-N 2 1 350.506 3.455 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000476752097 502577846 /nfs/dbraw/zinc/57/78/46/502577846.db2.gz CLXZKBNZNZNCNZ-BBWFWOEESA-N 2 1 361.530 3.401 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000476752097 502577848 /nfs/dbraw/zinc/57/78/48/502577848.db2.gz CLXZKBNZNZNCNZ-BBWFWOEESA-N 2 1 361.530 3.401 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487965478 502582890 /nfs/dbraw/zinc/58/28/90/502582890.db2.gz TWJFUHGIZCYYSZ-QZTJIDSGSA-N 2 1 364.578 3.013 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCc2c1cccc2F ZINC000484149095 502584003 /nfs/dbraw/zinc/58/40/03/502584003.db2.gz SUYOPPKGLBGAHV-WTOYTKOKSA-N 2 1 354.469 3.286 20 0 FGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171860 502592834 /nfs/dbraw/zinc/59/28/34/502592834.db2.gz ZFELVUOIIMTVEE-YADHBBJMSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171860 502592837 /nfs/dbraw/zinc/59/28/37/502592837.db2.gz ZFELVUOIIMTVEE-YADHBBJMSA-N 2 1 354.494 3.373 20 0 FGADMP Cc1nc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC000462885927 502614196 /nfs/dbraw/zinc/61/41/96/502614196.db2.gz WMYPLEPCJCTOLU-OXJNMPFZSA-N 2 1 358.555 3.481 20 0 FGADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480613787 502620999 /nfs/dbraw/zinc/62/09/99/502620999.db2.gz QDSSITXNPVFGEB-RTWAWAEBSA-N 2 1 357.542 3.379 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000480629152 502627184 /nfs/dbraw/zinc/62/71/84/502627184.db2.gz CQUVQGRASXOCIK-RXVVDRJESA-N 2 1 373.541 3.040 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000480629152 502627190 /nfs/dbraw/zinc/62/71/90/502627190.db2.gz CQUVQGRASXOCIK-RXVVDRJESA-N 2 1 373.541 3.040 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)C[C@H](C)O1 ZINC000462957231 502641621 /nfs/dbraw/zinc/64/16/21/502641621.db2.gz LOEQPOYRRQTORH-GASCZTMLSA-N 2 1 370.488 3.069 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)C[C@H](C)O1 ZINC000462957231 502641626 /nfs/dbraw/zinc/64/16/26/502641626.db2.gz LOEQPOYRRQTORH-GASCZTMLSA-N 2 1 370.488 3.069 20 0 FGADMP CC/C=C\CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000466802985 502685634 /nfs/dbraw/zinc/68/56/34/502685634.db2.gz RNPFQHFYWLKNMT-PLNGDYQASA-N 2 1 357.542 3.303 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000466812700 502690912 /nfs/dbraw/zinc/69/09/12/502690912.db2.gz CMMWGVPMIYYOSU-FQEVSTJZSA-N 2 1 362.514 3.032 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639090 502692460 /nfs/dbraw/zinc/69/24/60/502692460.db2.gz CPPHQOULIRDXIS-ZZPLLCAGSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639090 502692464 /nfs/dbraw/zinc/69/24/64/502692464.db2.gz CPPHQOULIRDXIS-ZZPLLCAGSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639090 502692468 /nfs/dbraw/zinc/69/24/68/502692468.db2.gz CPPHQOULIRDXIS-ZZPLLCAGSA-N 2 1 370.541 3.089 20 0 FGADMP c1ccc(N2CCOCC2)c(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000473919750 502749461 /nfs/dbraw/zinc/74/94/61/502749461.db2.gz MZPQENPOKJYURB-UHFFFAOYSA-N 2 1 357.542 3.410 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000470372091 502754145 /nfs/dbraw/zinc/75/41/45/502754145.db2.gz JMDSAEPZVMMFDZ-QGZVFWFLSA-N 2 1 363.505 3.452 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165553 502770822 /nfs/dbraw/zinc/77/08/22/502770822.db2.gz JIPJHMAPJPXVLE-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165553 502770829 /nfs/dbraw/zinc/77/08/29/502770829.db2.gz JIPJHMAPJPXVLE-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000474031876 502784336 /nfs/dbraw/zinc/78/43/36/502784336.db2.gz ORCGPRXTGUBFGQ-LJQANCHMSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000474031876 502784342 /nfs/dbraw/zinc/78/43/42/502784342.db2.gz ORCGPRXTGUBFGQ-LJQANCHMSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000474031876 502784346 /nfs/dbraw/zinc/78/43/46/502784346.db2.gz ORCGPRXTGUBFGQ-LJQANCHMSA-N 2 1 370.541 3.122 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474042576 502787486 /nfs/dbraw/zinc/78/74/86/502787486.db2.gz YBCZEQNHICYGCZ-VURPSTOHSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474042576 502787491 /nfs/dbraw/zinc/78/74/91/502787491.db2.gz YBCZEQNHICYGCZ-VURPSTOHSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474042576 502787496 /nfs/dbraw/zinc/78/74/96/502787496.db2.gz YBCZEQNHICYGCZ-VURPSTOHSA-N 2 1 372.557 3.336 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470480699 502790248 /nfs/dbraw/zinc/79/02/48/502790248.db2.gz XOXWAPVSWCMORT-NRFANRHFSA-N 2 1 374.573 3.459 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997404 502795801 /nfs/dbraw/zinc/79/58/01/502795801.db2.gz SMGUXMPECIZDKT-AEFFLSMTSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997404 502795808 /nfs/dbraw/zinc/79/58/08/502795808.db2.gz SMGUXMPECIZDKT-AEFFLSMTSA-N 2 1 361.505 3.156 20 0 FGADMP CC[N@@H+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044565 502808871 /nfs/dbraw/zinc/80/88/71/502808871.db2.gz VVKODCBJHZQRFY-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485044565 502808877 /nfs/dbraw/zinc/80/88/77/502808877.db2.gz VVKODCBJHZQRFY-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485044565 502808881 /nfs/dbraw/zinc/80/88/81/502808881.db2.gz VVKODCBJHZQRFY-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP Cc1ccc(CCC[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)cn1 ZINC000474105978 502810409 /nfs/dbraw/zinc/81/04/09/502810409.db2.gz MAIRDHRJRFDXLY-UHFFFAOYSA-N 2 1 355.457 3.310 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495667301 502856608 /nfs/dbraw/zinc/85/66/08/502856608.db2.gz HQZHSZMCJFDGKM-LEWJYISDSA-N 2 1 373.516 3.171 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495667301 502856612 /nfs/dbraw/zinc/85/66/12/502856612.db2.gz HQZHSZMCJFDGKM-LEWJYISDSA-N 2 1 373.516 3.171 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)C(C)C ZINC000489241866 502909045 /nfs/dbraw/zinc/90/90/45/502909045.db2.gz XTORMUXWWFAENY-SFHVURJKSA-N 2 1 352.567 3.011 20 0 FGADMP C[N@H+](CC(=O)NCCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040919 502919629 /nfs/dbraw/zinc/91/96/29/502919629.db2.gz UHXYRGDFGMFZDG-UHFFFAOYSA-N 2 1 372.557 3.316 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051236 502923048 /nfs/dbraw/zinc/92/30/48/502923048.db2.gz YHGNXUBOYXBEAL-UHFFFAOYSA-N 2 1 370.472 3.398 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000509518289 502924766 /nfs/dbraw/zinc/92/47/66/502924766.db2.gz FUNDYVCZZKQONH-UHFFFAOYSA-N 2 1 365.521 3.483 20 0 FGADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501065975 502926012 /nfs/dbraw/zinc/92/60/12/502926012.db2.gz BJZAICHWTDAZDF-GOSISDBHSA-N 2 1 360.546 3.123 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000497387554 502945176 /nfs/dbraw/zinc/94/51/76/502945176.db2.gz KNSFOGLUZZYYDY-ZDFPQIBNSA-N 2 1 360.542 3.491 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500016 502952950 /nfs/dbraw/zinc/95/29/50/502952950.db2.gz KKIBCKSVZKVCOA-DOTOQJQBSA-N 2 1 357.523 3.237 20 0 FGADMP Cc1ncc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000501209494 502958932 /nfs/dbraw/zinc/95/89/32/502958932.db2.gz MTIVTGRPDPCWKE-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP CCCCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000513644045 502988902 /nfs/dbraw/zinc/98/89/02/502988902.db2.gz ZBJLDSQJOZGRCF-NRFANRHFSA-N 2 1 359.558 3.467 20 0 FGADMP CCCCOc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000513644045 502988907 /nfs/dbraw/zinc/98/89/07/502988907.db2.gz ZBJLDSQJOZGRCF-NRFANRHFSA-N 2 1 359.558 3.467 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513647043 502990224 /nfs/dbraw/zinc/99/02/24/502990224.db2.gz FEJFPGCPJAHTBC-SFHVURJKSA-N 2 1 355.448 3.307 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513647043 502990226 /nfs/dbraw/zinc/99/02/26/502990226.db2.gz FEJFPGCPJAHTBC-SFHVURJKSA-N 2 1 355.448 3.307 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383870 502997745 /nfs/dbraw/zinc/99/77/45/502997745.db2.gz AOUAJAXSVQRTQO-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513679234 502999202 /nfs/dbraw/zinc/99/92/02/502999202.db2.gz VRTYUPDKLSKVJK-PWRODBHTSA-N 2 1 357.542 3.039 20 0 FGADMP CC(C)COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000513690833 503001601 /nfs/dbraw/zinc/00/16/01/503001601.db2.gz MYSJFUNGRQTGLA-OAQYLSRUSA-N 2 1 359.558 3.323 20 0 FGADMP CC(C)COc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000513690833 503001604 /nfs/dbraw/zinc/00/16/04/503001604.db2.gz MYSJFUNGRQTGLA-OAQYLSRUSA-N 2 1 359.558 3.323 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000497635169 503004919 /nfs/dbraw/zinc/00/49/19/503004919.db2.gz XPGSPDQFFUWMAC-NQIIRXRSSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000501533221 503030312 /nfs/dbraw/zinc/03/03/12/503030312.db2.gz IOIRDLURYAQZKZ-HAGHYFMRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000501533221 503030316 /nfs/dbraw/zinc/03/03/16/503030316.db2.gz IOIRDLURYAQZKZ-HAGHYFMRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501532203 503030438 /nfs/dbraw/zinc/03/04/38/503030438.db2.gz NARIMQZTUNZJPA-QZTJIDSGSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000501532203 503030443 /nfs/dbraw/zinc/03/04/43/503030443.db2.gz NARIMQZTUNZJPA-QZTJIDSGSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000501545441 503034137 /nfs/dbraw/zinc/03/41/37/503034137.db2.gz IJSRQQBIDRMDOB-WOJBJXKFSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489794127 503036247 /nfs/dbraw/zinc/03/62/47/503036247.db2.gz SHIYNOGLIPLBBS-PWRODBHTSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489810466 503041143 /nfs/dbraw/zinc/04/11/43/503041143.db2.gz XCVAUIKKKBPMIT-PBASOCQRSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891554 503042803 /nfs/dbraw/zinc/04/28/03/503042803.db2.gz ITOIZZQYKRYKHR-SFHLNBCPSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000501619030 503050738 /nfs/dbraw/zinc/05/07/38/503050738.db2.gz PBGGMSZJRLAMBV-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000489867979 503053542 /nfs/dbraw/zinc/05/35/42/503053542.db2.gz AJDBBPFTAGRFKM-HNNXBMFYSA-N 2 1 358.452 3.494 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000489867979 503053546 /nfs/dbraw/zinc/05/35/46/503053546.db2.gz AJDBBPFTAGRFKM-HNNXBMFYSA-N 2 1 358.452 3.494 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489886887 503057093 /nfs/dbraw/zinc/05/70/93/503057093.db2.gz PMDSXTSIPVGDRV-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000489886887 503057096 /nfs/dbraw/zinc/05/70/96/503057096.db2.gz PMDSXTSIPVGDRV-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000489886887 503057102 /nfs/dbraw/zinc/05/71/02/503057102.db2.gz PMDSXTSIPVGDRV-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028088 503072147 /nfs/dbraw/zinc/07/21/47/503072147.db2.gz ZOMSCIGTMKNWOR-CTNGQTDRSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000514053609 503076483 /nfs/dbraw/zinc/07/64/83/503076483.db2.gz XMQZDKYNGQXBGV-HDICACEKSA-N 2 1 366.594 3.163 20 0 FGADMP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510306292 503088911 /nfs/dbraw/zinc/08/89/11/503088911.db2.gz JHNXJHIXGSGQGG-NQIIRXRSSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000514130177 503095284 /nfs/dbraw/zinc/09/52/84/503095284.db2.gz HMDMCYRGVBCNOJ-OALUTQOASA-N 2 1 366.594 3.308 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542872 503138705 /nfs/dbraw/zinc/13/87/05/503138705.db2.gz CRTAIOAJLMXNFQ-COPCDDAFSA-N 2 1 365.521 3.377 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542872 503138707 /nfs/dbraw/zinc/13/87/07/503138707.db2.gz CRTAIOAJLMXNFQ-COPCDDAFSA-N 2 1 365.521 3.377 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)CC1 ZINC000502238030 503167659 /nfs/dbraw/zinc/16/76/59/503167659.db2.gz WSLHRNYQGLEEHR-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000514764118 503186551 /nfs/dbraw/zinc/18/65/51/503186551.db2.gz ZKHDNOWHWMKTDD-IRXDYDNUSA-N 2 1 366.575 3.305 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000510872370 503207491 /nfs/dbraw/zinc/20/74/91/503207491.db2.gz MGXILBUUZYUBMP-UHFFFAOYSA-N 2 1 374.554 3.189 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)C[C@@H](C)O1 ZINC000498634903 503229559 /nfs/dbraw/zinc/22/95/59/503229559.db2.gz CNGVWYFKBDGKSI-OPYAIIAOSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)C[C@@H](C)O1 ZINC000498634903 503229562 /nfs/dbraw/zinc/22/95/62/503229562.db2.gz CNGVWYFKBDGKSI-OPYAIIAOSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](C)C3CC3)cc2)C1 ZINC000490863604 503238133 /nfs/dbraw/zinc/23/81/33/503238133.db2.gz UMZKEDZFRXCVRW-QZTJIDSGSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000515046391 503258558 /nfs/dbraw/zinc/25/85/58/503258558.db2.gz PRYLMXQSJXWULP-IERDGZPVSA-N 2 1 364.493 3.117 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491056807 503267137 /nfs/dbraw/zinc/26/71/37/503267137.db2.gz JLCNDEORKFEBII-NHCUHLMSSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491056807 503267140 /nfs/dbraw/zinc/26/71/40/503267140.db2.gz JLCNDEORKFEBII-NHCUHLMSSA-N 2 1 360.542 3.323 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000502829733 503282443 /nfs/dbraw/zinc/28/24/43/503282443.db2.gz RJOJBZBEPWZWFD-KDURUIRLSA-N 2 1 366.594 3.164 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000507415084 503296005 /nfs/dbraw/zinc/29/60/05/503296005.db2.gz SMSPNYCBJGGRBG-MSOLQXFVSA-N 2 1 360.546 3.147 20 0 FGADMP CC[N@H+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C(C)C ZINC000511377290 503309421 /nfs/dbraw/zinc/30/94/21/503309421.db2.gz JSIQXTVWQZEHFU-RTBURBONSA-N 2 1 353.938 3.032 20 0 FGADMP CC[N@@H+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C(C)C ZINC000511377290 503309426 /nfs/dbraw/zinc/30/94/26/503309426.db2.gz JSIQXTVWQZEHFU-RTBURBONSA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000511377290 503309431 /nfs/dbraw/zinc/30/94/31/503309431.db2.gz JSIQXTVWQZEHFU-RTBURBONSA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511377290 503309433 /nfs/dbraw/zinc/30/94/33/503309433.db2.gz JSIQXTVWQZEHFU-RTBURBONSA-N 2 1 353.938 3.032 20 0 FGADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507518566 503313179 /nfs/dbraw/zinc/31/31/79/503313179.db2.gz DKQGNIRUWYDNNR-CWKRKGSWSA-N 2 1 368.496 3.229 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)c2)C1 ZINC000507521984 503314861 /nfs/dbraw/zinc/31/48/61/503314861.db2.gz CKORTKHGYSMHGI-BHIFYINESA-N 2 1 369.553 3.442 20 0 FGADMP COc1cc(OC)cc(N2CCC[N@H+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000503063630 503339237 /nfs/dbraw/zinc/33/92/37/503339237.db2.gz OEPXTCMOHQTBBC-UHFFFAOYSA-N 2 1 372.513 3.201 20 0 FGADMP COc1cc(OC)cc(N2CCC[N@@H+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000503063630 503339242 /nfs/dbraw/zinc/33/92/42/503339242.db2.gz OEPXTCMOHQTBBC-UHFFFAOYSA-N 2 1 372.513 3.201 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499160188 503346411 /nfs/dbraw/zinc/34/64/11/503346411.db2.gz IBPVZYOGMUGPFG-DKUWSORSSA-N 2 1 369.553 3.468 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184129 503362379 /nfs/dbraw/zinc/36/23/79/503362379.db2.gz ZZXAHLKGILVBRX-KNQAVFIVSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184129 503362382 /nfs/dbraw/zinc/36/23/82/503362382.db2.gz ZZXAHLKGILVBRX-KNQAVFIVSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184129 503362385 /nfs/dbraw/zinc/36/23/85/503362385.db2.gz ZZXAHLKGILVBRX-KNQAVFIVSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184129 503362386 /nfs/dbraw/zinc/36/23/86/503362386.db2.gz ZZXAHLKGILVBRX-KNQAVFIVSA-N 2 1 367.537 3.305 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677203 503367844 /nfs/dbraw/zinc/36/78/44/503367844.db2.gz HWARWAYOFKBGHD-UWJYYQICSA-N 2 1 351.494 3.314 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390457 503399706 /nfs/dbraw/zinc/39/97/06/503399706.db2.gz LTOJHBJAWWLAGC-JZXOWHBKSA-N 2 1 364.534 3.128 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247129 503415222 /nfs/dbraw/zinc/41/52/22/503415222.db2.gz KLEFNANLQGSTCG-SXSPYAJSSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247129 503415225 /nfs/dbraw/zinc/41/52/25/503415225.db2.gz KLEFNANLQGSTCG-SXSPYAJSSA-N 2 1 350.506 3.455 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000511921441 503416527 /nfs/dbraw/zinc/41/65/27/503416527.db2.gz GUNXHDDRHJONMW-ZCNNSNEGSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000511921441 503416531 /nfs/dbraw/zinc/41/65/31/503416531.db2.gz GUNXHDDRHJONMW-ZCNNSNEGSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000511921441 503416538 /nfs/dbraw/zinc/41/65/38/503416538.db2.gz GUNXHDDRHJONMW-ZCNNSNEGSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[C@H](NCc2ncc(C[NH+](C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000511995571 503431049 /nfs/dbraw/zinc/43/10/49/503431049.db2.gz AQYHYZNCIDWRLG-SJLPKXTDSA-N 2 1 358.555 3.347 20 0 FGADMP C[C@@H]1C[C@H](NCc2ncc(C[NH+](C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000511995571 503431053 /nfs/dbraw/zinc/43/10/53/503431053.db2.gz AQYHYZNCIDWRLG-SJLPKXTDSA-N 2 1 358.555 3.347 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)c2cccs2)CC1 ZINC000493676762 503439571 /nfs/dbraw/zinc/43/95/71/503439571.db2.gz IZIXYUZHTPXUCP-ROUUACIJSA-N 2 1 361.555 3.264 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144040 503440387 /nfs/dbraw/zinc/44/03/87/503440387.db2.gz VCUTWJPJCUZTOR-LJQANCHMSA-N 3 1 358.574 3.039 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144040 503440392 /nfs/dbraw/zinc/44/03/92/503440392.db2.gz VCUTWJPJCUZTOR-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP CC[N@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000508144040 503440396 /nfs/dbraw/zinc/44/03/96/503440396.db2.gz VCUTWJPJCUZTOR-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2c2ccccc2)CC1 ZINC000512195456 503483343 /nfs/dbraw/zinc/48/33/43/503483343.db2.gz NUGBASLNCYJXIR-GHTZIAJQSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215287 503488820 /nfs/dbraw/zinc/48/88/20/503488820.db2.gz ZXQCVFFNHNUERG-ICSRJNTNSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215287 503488824 /nfs/dbraw/zinc/48/88/24/503488824.db2.gz ZXQCVFFNHNUERG-ICSRJNTNSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215287 503488828 /nfs/dbraw/zinc/48/88/28/503488828.db2.gz ZXQCVFFNHNUERG-ICSRJNTNSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215287 503488832 /nfs/dbraw/zinc/48/88/32/503488832.db2.gz ZXQCVFFNHNUERG-ICSRJNTNSA-N 2 1 353.514 3.354 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257836 503500716 /nfs/dbraw/zinc/50/07/16/503500716.db2.gz DHUSVQUWDXJMIG-QFIPXVFZSA-N 2 1 364.493 3.008 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257836 503500718 /nfs/dbraw/zinc/50/07/18/503500718.db2.gz DHUSVQUWDXJMIG-QFIPXVFZSA-N 2 1 364.493 3.008 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257836 503500720 /nfs/dbraw/zinc/50/07/20/503500720.db2.gz DHUSVQUWDXJMIG-QFIPXVFZSA-N 2 1 364.493 3.008 20 0 FGADMP C[C@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000499887295 503502940 /nfs/dbraw/zinc/50/29/40/503502940.db2.gz LFIYLLMHEZDQIM-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887295 503502943 /nfs/dbraw/zinc/50/29/43/503502943.db2.gz LFIYLLMHEZDQIM-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887295 503502947 /nfs/dbraw/zinc/50/29/47/503502947.db2.gz LFIYLLMHEZDQIM-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000516622252 503552871 /nfs/dbraw/zinc/55/28/71/503552871.db2.gz DPFBBHNLFPZSSS-GCJKJVERSA-N 2 1 374.488 3.497 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000500130021 503561613 /nfs/dbraw/zinc/56/16/13/503561613.db2.gz BYYNJPLLCDFRSM-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1ccc(CC[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512474956 503564994 /nfs/dbraw/zinc/56/49/94/503564994.db2.gz OPLXEDAYDLRCJN-DEOSSOPVSA-N 2 1 363.549 3.430 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000516839506 503597424 /nfs/dbraw/zinc/59/74/24/503597424.db2.gz IARSAYTVLDANGD-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516839506 503597429 /nfs/dbraw/zinc/59/74/29/503597429.db2.gz IARSAYTVLDANGD-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516839506 503597433 /nfs/dbraw/zinc/59/74/33/503597433.db2.gz IARSAYTVLDANGD-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000516839507 503597548 /nfs/dbraw/zinc/59/75/48/503597548.db2.gz IARSAYTVLDANGD-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516839507 503597550 /nfs/dbraw/zinc/59/75/50/503597550.db2.gz IARSAYTVLDANGD-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516839507 503597552 /nfs/dbraw/zinc/59/75/52/503597552.db2.gz IARSAYTVLDANGD-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000512646817 503601947 /nfs/dbraw/zinc/60/19/47/503601947.db2.gz DIYVRGYLVQLGEB-PWRODBHTSA-N 2 1 351.494 3.481 20 0 FGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000512656359 503604559 /nfs/dbraw/zinc/60/45/59/503604559.db2.gz ZJHDMVVIYSPAMQ-KOHQXUEJSA-N 2 1 372.553 3.129 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000516877979 503607142 /nfs/dbraw/zinc/60/71/42/503607142.db2.gz SUDXIMDQIAARTE-QJPTWQEYSA-N 2 1 355.276 3.141 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000512693379 503614684 /nfs/dbraw/zinc/61/46/84/503614684.db2.gz IMLLHSYCFYZEKN-RTBURBONSA-N 2 1 366.594 3.400 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826893 503621081 /nfs/dbraw/zinc/62/10/81/503621081.db2.gz UMXMOESAMBDOFN-OAQYLSRUSA-N 2 1 363.505 3.377 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826893 503621084 /nfs/dbraw/zinc/62/10/84/503621084.db2.gz UMXMOESAMBDOFN-OAQYLSRUSA-N 2 1 363.505 3.377 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826893 503621087 /nfs/dbraw/zinc/62/10/87/503621087.db2.gz UMXMOESAMBDOFN-OAQYLSRUSA-N 2 1 363.505 3.377 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2C1 ZINC000504826893 503621089 /nfs/dbraw/zinc/62/10/89/503621089.db2.gz UMXMOESAMBDOFN-OAQYLSRUSA-N 2 1 363.505 3.377 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000500440568 503625157 /nfs/dbraw/zinc/62/51/57/503625157.db2.gz WJKLBYUXNRRGAE-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000509051837 503630942 /nfs/dbraw/zinc/63/09/42/503630942.db2.gz CIOMJKIHCADNKA-OAQYLSRUSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516959362 503631104 /nfs/dbraw/zinc/63/11/04/503631104.db2.gz LJTYAIKPIXTFOB-UTKZUKDTSA-N 2 1 372.557 3.248 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070899 503635069 /nfs/dbraw/zinc/63/50/69/503635069.db2.gz OTENDYFTJASYPU-IBGZPJMESA-N 2 1 368.525 3.031 20 0 FGADMP Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920796 503656915 /nfs/dbraw/zinc/65/69/15/503656915.db2.gz XCFPFKZFXHOGRJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920796 503656920 /nfs/dbraw/zinc/65/69/20/503656920.db2.gz XCFPFKZFXHOGRJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532920796 503656925 /nfs/dbraw/zinc/65/69/25/503656925.db2.gz XCFPFKZFXHOGRJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000532920796 503656930 /nfs/dbraw/zinc/65/69/30/503656930.db2.gz XCFPFKZFXHOGRJ-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495082504 503663168 /nfs/dbraw/zinc/66/31/68/503663168.db2.gz WDEJCYQPHIDLPE-LJQANCHMSA-N 2 1 355.482 3.058 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)[nH+]1 ZINC000495087321 503664379 /nfs/dbraw/zinc/66/43/79/503664379.db2.gz SPTMFNOXGIKPGK-QGZVFWFLSA-N 2 1 366.509 3.411 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000517203471 503672156 /nfs/dbraw/zinc/67/21/56/503672156.db2.gz TUVKTLZKCGQINB-WCRBZPEASA-N 2 1 357.542 3.218 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000517203471 503672160 /nfs/dbraw/zinc/67/21/60/503672160.db2.gz TUVKTLZKCGQINB-WCRBZPEASA-N 2 1 357.542 3.218 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000536696945 503684926 /nfs/dbraw/zinc/68/49/26/503684926.db2.gz RHQKQPRZGOTUDC-MRXNPFEDSA-N 2 1 360.527 3.138 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000536695727 503685075 /nfs/dbraw/zinc/68/50/75/503685075.db2.gz MQTWKAHUDOUPMH-SFHVURJKSA-N 2 1 363.521 3.359 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC000517231264 503685874 /nfs/dbraw/zinc/68/58/74/503685874.db2.gz YNIMEMZHEQMHNV-GOSISDBHSA-N 2 1 354.498 3.219 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000540143999 503688514 /nfs/dbraw/zinc/68/85/14/503688514.db2.gz LEFFPXWQHNRNGT-ZDUSSCGKSA-N 2 1 373.310 3.220 20 0 FGADMP Cc1ccc(SCC[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000532986560 503688804 /nfs/dbraw/zinc/68/88/04/503688804.db2.gz XXTAWKWIEHAJND-FQEVSTJZSA-N 2 1 361.599 3.496 20 0 FGADMP CC(C)[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000529802858 503705186 /nfs/dbraw/zinc/70/51/86/503705186.db2.gz IIJCQMIAUQXTBT-OAQYLSRUSA-N 2 1 357.542 3.087 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000540221321 503716206 /nfs/dbraw/zinc/71/62/06/503716206.db2.gz DWLBJASSHKBWKK-QRTARXTBSA-N 2 1 369.431 3.131 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000540221321 503716209 /nfs/dbraw/zinc/71/62/09/503716209.db2.gz DWLBJASSHKBWKK-QRTARXTBSA-N 2 1 369.431 3.131 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1)CC(C)C ZINC000540272006 503728313 /nfs/dbraw/zinc/72/83/13/503728313.db2.gz YNAZHFXXSOXWCV-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1)CC(C)C ZINC000540272006 503728316 /nfs/dbraw/zinc/72/83/16/503728316.db2.gz YNAZHFXXSOXWCV-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1)CC(C)C ZINC000540272006 503728320 /nfs/dbraw/zinc/72/83/20/503728320.db2.gz YNAZHFXXSOXWCV-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1cc([C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)ccc1F ZINC000540301310 503732209 /nfs/dbraw/zinc/73/22/09/503732209.db2.gz HHIIJXFHIQEWJD-OAQYLSRUSA-N 2 1 361.505 3.118 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000536846523 503738558 /nfs/dbraw/zinc/73/85/58/503738558.db2.gz QWPSYYSSLIEYDD-GHTZIAJQSA-N 2 1 370.541 3.407 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000543406860 503758039 /nfs/dbraw/zinc/75/80/39/503758039.db2.gz MYHKBYGWNFSDJE-REWPJTCUSA-N 2 1 373.585 3.470 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@@H](C)O1 ZINC000536934870 503765993 /nfs/dbraw/zinc/76/59/93/503765993.db2.gz CQCMVTFIEMLEOZ-IAGOWNOFSA-N 2 1 366.933 3.430 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096133 503801312 /nfs/dbraw/zinc/80/13/12/503801312.db2.gz IMCCKLZGCURXHR-CUXKYVRBSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096133 503801316 /nfs/dbraw/zinc/80/13/16/503801316.db2.gz IMCCKLZGCURXHR-CUXKYVRBSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096133 503801319 /nfs/dbraw/zinc/80/13/19/503801319.db2.gz IMCCKLZGCURXHR-CUXKYVRBSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096133 503801325 /nfs/dbraw/zinc/80/13/25/503801325.db2.gz IMCCKLZGCURXHR-CUXKYVRBSA-N 2 1 373.585 3.268 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)[C@@H](C)C3)cc2)C[C@H]1C ZINC000537096133 503801326 /nfs/dbraw/zinc/80/13/26/503801326.db2.gz IMCCKLZGCURXHR-CUXKYVRBSA-N 2 1 373.585 3.268 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685871 503806767 /nfs/dbraw/zinc/80/67/67/503806767.db2.gz KLPDITXMJNLHKV-RBUKOAKNSA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685871 503806770 /nfs/dbraw/zinc/80/67/70/503806770.db2.gz KLPDITXMJNLHKV-RBUKOAKNSA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118640 503808074 /nfs/dbraw/zinc/80/80/74/503808074.db2.gz WNEFAFNNWRLOPJ-PZJWPPBQSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118640 503808076 /nfs/dbraw/zinc/80/80/76/503808076.db2.gz WNEFAFNNWRLOPJ-PZJWPPBQSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118640 503808078 /nfs/dbraw/zinc/80/80/78/503808078.db2.gz WNEFAFNNWRLOPJ-PZJWPPBQSA-N 2 1 373.541 3.356 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194836 503835260 /nfs/dbraw/zinc/83/52/60/503835260.db2.gz LBBTZHRRCPBFMO-LEWJYISDSA-N 2 1 357.542 3.485 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543639317 503837896 /nfs/dbraw/zinc/83/78/96/503837896.db2.gz DAZWXDFXMVXVQX-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000537210705 503842901 /nfs/dbraw/zinc/84/29/01/503842901.db2.gz QTVXPMVXSCLURZ-OAQYLSRUSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000537210705 503842909 /nfs/dbraw/zinc/84/29/09/503842909.db2.gz QTVXPMVXSCLURZ-OAQYLSRUSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@@H]3C(C)C)CC2)cc1 ZINC000537210705 503842914 /nfs/dbraw/zinc/84/29/14/503842914.db2.gz QTVXPMVXSCLURZ-OAQYLSRUSA-N 2 1 357.542 3.150 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000517891614 503859491 /nfs/dbraw/zinc/85/94/91/503859491.db2.gz UJDRIISRMVSLKH-FCHUYYIVSA-N 2 1 367.537 3.359 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000517913424 503865875 /nfs/dbraw/zinc/86/58/75/503865875.db2.gz JSKRDQWWHFAPLG-IBGZPJMESA-N 2 1 354.583 3.116 20 0 FGADMP C[N@@H+]1CC=C(CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC1 ZINC000537273613 503866067 /nfs/dbraw/zinc/86/60/67/503866067.db2.gz PDQNUWSRQNGNSP-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCN3CCCc4ccccc43)CC2)C[C@H](C)O1 ZINC000533534517 503879219 /nfs/dbraw/zinc/87/92/19/503879219.db2.gz LGUDPIAYHYOWKN-BGYRXZFFSA-N 2 1 371.569 3.260 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(CO)ccc1F ZINC000530217867 503881140 /nfs/dbraw/zinc/88/11/40/503881140.db2.gz IOTHOGUHAKHVOE-KNQAVFIVSA-N 2 1 356.485 3.490 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1F ZINC000530223188 503881521 /nfs/dbraw/zinc/88/15/21/503881521.db2.gz PLDLBWPUFRYTML-FUHWJXTLSA-N 2 1 365.880 3.048 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238589 503887732 /nfs/dbraw/zinc/88/77/32/503887732.db2.gz BHCRHDRXYZWWTG-MRXNPFEDSA-N 2 1 361.511 3.302 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023369 503891577 /nfs/dbraw/zinc/89/15/77/503891577.db2.gz NXLKMHWKHFNJRP-MISYRCLQSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023369 503891582 /nfs/dbraw/zinc/89/15/82/503891582.db2.gz NXLKMHWKHFNJRP-MISYRCLQSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023369 503891586 /nfs/dbraw/zinc/89/15/86/503891586.db2.gz NXLKMHWKHFNJRP-MISYRCLQSA-N 2 1 370.541 3.138 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527703655 503902949 /nfs/dbraw/zinc/90/29/49/503902949.db2.gz RKRRHVWXRPZXRL-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527703655 503902952 /nfs/dbraw/zinc/90/29/52/503902952.db2.gz RKRRHVWXRPZXRL-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1Cc1ccccc1 ZINC000546855939 503903532 /nfs/dbraw/zinc/90/35/32/503903532.db2.gz NIOCGAFGXSZTPK-MJGOQNOKSA-N 2 1 366.509 3.178 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540903812 503931999 /nfs/dbraw/zinc/93/19/99/503931999.db2.gz UUZJYNOCZRMIHF-WIYYLYMNSA-N 2 1 365.525 3.077 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540903812 503932006 /nfs/dbraw/zinc/93/20/06/503932006.db2.gz UUZJYNOCZRMIHF-WIYYLYMNSA-N 2 1 365.525 3.077 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913523 503936793 /nfs/dbraw/zinc/93/67/93/503936793.db2.gz SSNHUYWLFRSNHQ-PKOBYXMFSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000540926271 503941111 /nfs/dbraw/zinc/94/11/11/503941111.db2.gz GBVWCUKDPDOBDI-LJQANCHMSA-N 2 1 366.509 3.031 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000518349053 503958573 /nfs/dbraw/zinc/95/85/73/503958573.db2.gz PAXRYJNWZJEAKQ-DOTOQJQBSA-N 2 1 360.889 3.397 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000540988819 503966357 /nfs/dbraw/zinc/96/63/57/503966357.db2.gz QELLTYXAMYSQGY-PZJWPPBQSA-N 2 1 357.473 3.274 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860813 503975686 /nfs/dbraw/zinc/97/56/86/503975686.db2.gz YHYFNUFBVPPKOE-LJQANCHMSA-N 2 1 353.913 3.330 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000537648068 503990966 /nfs/dbraw/zinc/99/09/66/503990966.db2.gz QWVWIAMZHWEIOD-INIZCTEOSA-N 2 1 370.921 3.290 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000537648068 503990971 /nfs/dbraw/zinc/99/09/71/503990971.db2.gz QWVWIAMZHWEIOD-INIZCTEOSA-N 2 1 370.921 3.290 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527941171 504008226 /nfs/dbraw/zinc/00/82/26/504008226.db2.gz XVZTULJCXCXLRG-NXHRZFHOSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000527941171 504008230 /nfs/dbraw/zinc/00/82/30/504008230.db2.gz XVZTULJCXCXLRG-NXHRZFHOSA-N 2 1 366.431 3.487 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000527991428 504029686 /nfs/dbraw/zinc/02/96/86/504029686.db2.gz VPJIFAULTGSIDA-PCCBWWKXSA-N 2 1 351.494 3.133 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000528001975 504034692 /nfs/dbraw/zinc/03/46/92/504034692.db2.gz QNCDSRFUAWZDJL-IIZPIQPGSA-N 2 1 361.489 3.335 20 0 FGADMP CCCN(CCC)C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537843543 504062061 /nfs/dbraw/zinc/06/20/61/504062061.db2.gz VBALNSWLEQODHP-UHFFFAOYSA-N 2 1 360.546 3.269 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C(C)C)C(C)C)CC1)CC1CC1 ZINC000537847815 504063675 /nfs/dbraw/zinc/06/36/75/504063675.db2.gz VABAPXZTKFZPBR-UHFFFAOYSA-N 2 1 351.579 3.466 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1)CC1CC1 ZINC000537848508 504063706 /nfs/dbraw/zinc/06/37/06/504063706.db2.gz FZSXFGMQNQVBQJ-UHFFFAOYSA-N 2 1 357.542 3.483 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000547367968 504079019 /nfs/dbraw/zinc/07/90/19/504079019.db2.gz YFTAGQFMSWSJDJ-QZTJIDSGSA-N 2 1 371.525 3.163 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000530805284 504091875 /nfs/dbraw/zinc/09/18/75/504091875.db2.gz XQYNMCKUHWEXKY-MDZRGWNJSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C(F)F)c2F)CC1 ZINC000528151012 504094703 /nfs/dbraw/zinc/09/47/03/504094703.db2.gz IILQORHWMZQGAE-UHFFFAOYSA-N 2 1 364.371 3.162 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537986322 504103070 /nfs/dbraw/zinc/10/30/70/504103070.db2.gz IIVBXTOZVWXAGF-GCJKJVERSA-N 2 1 365.521 3.437 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000537986322 504103077 /nfs/dbraw/zinc/10/30/77/504103077.db2.gz IIVBXTOZVWXAGF-GCJKJVERSA-N 2 1 365.521 3.437 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3C3CC3)c2)C1 ZINC000538100154 504132871 /nfs/dbraw/zinc/13/28/71/504132871.db2.gz BMRFROGOWACMHT-NJYVYQBISA-N 2 1 355.526 3.052 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000519183785 504160118 /nfs/dbraw/zinc/16/01/18/504160118.db2.gz NCMYIGOCWDBRFR-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000519183785 504160124 /nfs/dbraw/zinc/16/01/24/504160124.db2.gz NCMYIGOCWDBRFR-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307776 504161500 /nfs/dbraw/zinc/16/15/00/504161500.db2.gz PAQNYAOYSFJIAZ-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307776 504161506 /nfs/dbraw/zinc/16/15/06/504161506.db2.gz PAQNYAOYSFJIAZ-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307776 504161510 /nfs/dbraw/zinc/16/15/10/504161510.db2.gz PAQNYAOYSFJIAZ-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307776 504161517 /nfs/dbraw/zinc/16/15/17/504161517.db2.gz PAQNYAOYSFJIAZ-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307776 504161524 /nfs/dbraw/zinc/16/15/24/504161524.db2.gz PAQNYAOYSFJIAZ-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000541533744 504166340 /nfs/dbraw/zinc/16/63/40/504166340.db2.gz AZNRNZDSQYYQDS-QFIPXVFZSA-N 2 1 361.493 3.282 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000534611371 504191025 /nfs/dbraw/zinc/19/10/25/504191025.db2.gz OCXSSYBEFOTFTI-RLLQIKCJSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000534611371 504191028 /nfs/dbraw/zinc/19/10/28/504191028.db2.gz OCXSSYBEFOTFTI-RLLQIKCJSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000534611371 504191031 /nfs/dbraw/zinc/19/10/31/504191031.db2.gz OCXSSYBEFOTFTI-RLLQIKCJSA-N 2 1 372.557 3.242 20 0 FGADMP O=C(NCC[N@@H+]1CCc2sccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547756569 504213175 /nfs/dbraw/zinc/21/31/75/504213175.db2.gz LPIMXUUMWMOUGX-UHFFFAOYSA-N 2 1 369.534 3.132 20 0 FGADMP O=C(NCC[N@H+]1CCc2sccc2C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000547756569 504213180 /nfs/dbraw/zinc/21/31/80/504213180.db2.gz LPIMXUUMWMOUGX-UHFFFAOYSA-N 2 1 369.534 3.132 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000519451444 504224303 /nfs/dbraw/zinc/22/43/03/504224303.db2.gz AUOQBHJRGCXOPA-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@@H+]1Cc1ccccc1 ZINC000541737993 504237476 /nfs/dbraw/zinc/23/74/76/504237476.db2.gz FIRKASSYJOIVHJ-DYESRHJHSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@H+]1Cc1ccccc1 ZINC000541737993 504237477 /nfs/dbraw/zinc/23/74/77/504237477.db2.gz FIRKASSYJOIVHJ-DYESRHJHSA-N 2 1 363.505 3.115 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)c3ccn(C)n3)CC2)cs1 ZINC000541735392 504237743 /nfs/dbraw/zinc/23/77/43/504237743.db2.gz YCWKCHBEVBGFCU-QGZVFWFLSA-N 2 1 361.559 3.392 20 0 FGADMP Cc1cc(NC(=O)NC[C@H]2CCC[N@@H+](C)C2)cnc1N1CCCC[C@@H]1C ZINC000541878194 504286754 /nfs/dbraw/zinc/28/67/54/504286754.db2.gz ZYGZONUPIKSRBR-DLBZAZTESA-N 2 1 359.518 3.232 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000531429280 504303739 /nfs/dbraw/zinc/30/37/39/504303739.db2.gz ZTGRDMILVPNYPZ-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000538685937 504326959 /nfs/dbraw/zinc/32/69/59/504326959.db2.gz BFBWKNQYKNASGX-UHFFFAOYSA-N 2 1 366.509 3.429 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519775846 504334922 /nfs/dbraw/zinc/33/49/22/504334922.db2.gz VTYZXDZDTRBQMT-XVAXZDLZSA-N 2 1 355.526 3.221 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519775846 504334929 /nfs/dbraw/zinc/33/49/29/504334929.db2.gz VTYZXDZDTRBQMT-XVAXZDLZSA-N 2 1 355.526 3.221 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000535083755 504339787 /nfs/dbraw/zinc/33/97/87/504339787.db2.gz ZFPJTWLTKVOBGC-OALUTQOASA-N 2 1 352.526 3.225 20 0 FGADMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799707 504376161 /nfs/dbraw/zinc/37/61/61/504376161.db2.gz SGLWFMDNCQAKDE-RXVVDRJESA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538799707 504376163 /nfs/dbraw/zinc/37/61/63/504376163.db2.gz SGLWFMDNCQAKDE-RXVVDRJESA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000538799707 504376166 /nfs/dbraw/zinc/37/61/66/504376166.db2.gz SGLWFMDNCQAKDE-RXVVDRJESA-N 2 1 372.509 3.077 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531712003 504400326 /nfs/dbraw/zinc/40/03/26/504400326.db2.gz ATQCCYGYVFZNIR-SFHVURJKSA-N 2 1 365.525 3.261 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456639 /nfs/dbraw/zinc/45/66/39/504456639.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456644 /nfs/dbraw/zinc/45/66/44/504456644.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456650 /nfs/dbraw/zinc/45/66/50/504456650.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456654 /nfs/dbraw/zinc/45/66/54/504456654.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456657 /nfs/dbraw/zinc/45/66/57/504456657.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456662 /nfs/dbraw/zinc/45/66/62/504456662.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046012 504456667 /nfs/dbraw/zinc/45/66/67/504456667.db2.gz GBUOFRLCRJIRDS-ACRUOGEOSA-N 3 1 353.595 3.081 20 0 FGADMP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CCC1 ZINC000535581890 504477218 /nfs/dbraw/zinc/47/72/18/504477218.db2.gz BGHIPSKCCVMEBE-IBGZPJMESA-N 2 1 363.933 3.325 20 0 FGADMP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CCC1 ZINC000535581890 504477225 /nfs/dbraw/zinc/47/72/25/504477225.db2.gz BGHIPSKCCVMEBE-IBGZPJMESA-N 2 1 363.933 3.325 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944789 504482904 /nfs/dbraw/zinc/48/29/04/504482904.db2.gz KXSWSFXOKMOLTB-INIZCTEOSA-N 2 1 353.938 3.397 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450687 504494486 /nfs/dbraw/zinc/49/44/86/504494486.db2.gz IEWXRZYOQVAHIX-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000542465345 504500809 /nfs/dbraw/zinc/50/08/09/504500809.db2.gz IJFMHFCKEUZILX-UHFFFAOYSA-N 2 1 370.460 3.320 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000542465345 504500812 /nfs/dbraw/zinc/50/08/12/504500812.db2.gz IJFMHFCKEUZILX-UHFFFAOYSA-N 2 1 370.460 3.320 20 0 FGADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254727 504513989 /nfs/dbraw/zinc/51/39/89/504513989.db2.gz RDFTYSSYFYPQJQ-PKOBYXMFSA-N 2 1 361.530 3.069 20 0 FGADMP CC[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254727 504513990 /nfs/dbraw/zinc/51/39/90/504513990.db2.gz RDFTYSSYFYPQJQ-PKOBYXMFSA-N 2 1 361.530 3.069 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000532134390 504545358 /nfs/dbraw/zinc/54/53/58/504545358.db2.gz ATCQSNMXBUCDLH-LJQANCHMSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739708 504548350 /nfs/dbraw/zinc/54/83/50/504548350.db2.gz DYQXDDDUIKYPBD-CEXWTWQISA-N 2 1 357.542 3.379 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000535818664 504554194 /nfs/dbraw/zinc/55/41/94/504554194.db2.gz HTXZPIUJHWNVLH-PMACEKPBSA-N 2 1 359.558 3.466 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174483 504566707 /nfs/dbraw/zinc/56/67/07/504566707.db2.gz PMYUSUXQWJOHHV-OALUTQOASA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174483 504566709 /nfs/dbraw/zinc/56/67/09/504566709.db2.gz PMYUSUXQWJOHHV-OALUTQOASA-N 2 1 363.933 3.247 20 0 FGADMP COc1cccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000532188395 504567255 /nfs/dbraw/zinc/56/72/55/504567255.db2.gz DICHXQUPHFZWNJ-LPHOPBHVSA-N 2 1 359.539 3.396 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756747 504575224 /nfs/dbraw/zinc/57/52/24/504575224.db2.gz VZSHJEQIUHWRMN-HDAAZOAOSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756747 504575228 /nfs/dbraw/zinc/57/52/28/504575228.db2.gz VZSHJEQIUHWRMN-HDAAZOAOSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756747 504575231 /nfs/dbraw/zinc/57/52/31/504575231.db2.gz VZSHJEQIUHWRMN-HDAAZOAOSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542782953 504608358 /nfs/dbraw/zinc/60/83/58/504608358.db2.gz YQARWYXIVGQUBI-SFHVURJKSA-N 2 1 360.542 3.204 20 0 FGADMP CN(CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786726 504610965 /nfs/dbraw/zinc/61/09/65/504610965.db2.gz PZXOXJYLFLRHLO-UZLBHIALSA-N 2 1 372.538 3.169 20 0 FGADMP Brc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc2c1OCO2 ZINC000520962250 504617774 /nfs/dbraw/zinc/61/77/74/504617774.db2.gz YMHXBPNROBWBMJ-UHFFFAOYSA-N 2 1 367.287 3.284 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000542811931 504620202 /nfs/dbraw/zinc/62/02/02/504620202.db2.gz XFFKQRJHOQREDF-PDGJWGCVSA-N 2 1 366.505 3.229 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000542811931 504620207 /nfs/dbraw/zinc/62/02/07/504620207.db2.gz XFFKQRJHOQREDF-PDGJWGCVSA-N 2 1 366.505 3.229 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccnc1 ZINC000548932172 504625168 /nfs/dbraw/zinc/62/51/68/504625168.db2.gz TWDYFYCIKWFFAW-HXUWFJFHSA-N 2 1 366.509 3.301 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)Nc1cccnc1 ZINC000548932172 504625173 /nfs/dbraw/zinc/62/51/73/504625173.db2.gz TWDYFYCIKWFFAW-HXUWFJFHSA-N 2 1 366.509 3.301 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000532378246 504629448 /nfs/dbraw/zinc/62/94/48/504629448.db2.gz ZRVSIUOMPMWXTF-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000532378246 504629453 /nfs/dbraw/zinc/62/94/53/504629453.db2.gz ZRVSIUOMPMWXTF-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@H]1OC ZINC000542847857 504633316 /nfs/dbraw/zinc/63/33/16/504633316.db2.gz YCUJYJMDDMGNLH-NJDAHSKKSA-N 2 1 360.542 3.327 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000521054258 504638582 /nfs/dbraw/zinc/63/85/82/504638582.db2.gz QXSXPDSVYUDVRJ-FCEWJHQRSA-N 2 1 365.949 3.427 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000521054258 504638585 /nfs/dbraw/zinc/63/85/85/504638585.db2.gz QXSXPDSVYUDVRJ-FCEWJHQRSA-N 2 1 365.949 3.427 20 0 FGADMP C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000521056383 504639551 /nfs/dbraw/zinc/63/95/51/504639551.db2.gz CABVVBOOXPGDKZ-YJBOKZPZSA-N 2 1 351.922 3.181 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000532447118 504654486 /nfs/dbraw/zinc/65/44/86/504654486.db2.gz NVNQZUYOEAJSCP-HXUWFJFHSA-N 2 1 359.558 3.260 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589540 504704336 /nfs/dbraw/zinc/70/43/36/504704336.db2.gz LFVMGXRBVVYADB-IEBWSBKVSA-N 2 1 356.514 3.304 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@H]1C ZINC000532589540 504704341 /nfs/dbraw/zinc/70/43/41/504704341.db2.gz LFVMGXRBVVYADB-IEBWSBKVSA-N 2 1 356.514 3.304 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)NC(C1CC1)C1CC1 ZINC000549166735 504708797 /nfs/dbraw/zinc/70/87/97/504708797.db2.gz VOMYGRSXELFASU-HXUWFJFHSA-N 2 1 369.553 3.182 20 0 FGADMP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000539849826 504717231 /nfs/dbraw/zinc/71/72/31/504717231.db2.gz XNFNDAXFOBHWRL-SFHVURJKSA-N 2 1 358.530 3.379 20 0 FGADMP CCCn1c2ccccc2nc1C[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000539849826 504717235 /nfs/dbraw/zinc/71/72/35/504717235.db2.gz XNFNDAXFOBHWRL-SFHVURJKSA-N 2 1 358.530 3.379 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539852080 504718354 /nfs/dbraw/zinc/71/83/54/504718354.db2.gz LTGCRYDVKLLHSN-KRWDZBQOSA-N 2 1 354.498 3.249 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539852080 504718360 /nfs/dbraw/zinc/71/83/60/504718360.db2.gz LTGCRYDVKLLHSN-KRWDZBQOSA-N 2 1 354.498 3.249 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000539852080 504718367 /nfs/dbraw/zinc/71/83/67/504718367.db2.gz LTGCRYDVKLLHSN-KRWDZBQOSA-N 2 1 354.498 3.249 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000539852080 504718371 /nfs/dbraw/zinc/71/83/71/504718371.db2.gz LTGCRYDVKLLHSN-KRWDZBQOSA-N 2 1 354.498 3.249 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565072078 504787527 /nfs/dbraw/zinc/78/75/27/504787527.db2.gz ZGFZZAYRZVNCSC-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565092778 504791187 /nfs/dbraw/zinc/79/11/87/504791187.db2.gz FUJMIFBMYTZODB-UHFFFAOYSA-N 2 1 373.884 3.065 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565092778 504791191 /nfs/dbraw/zinc/79/11/91/504791191.db2.gz FUJMIFBMYTZODB-UHFFFAOYSA-N 2 1 373.884 3.065 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000565150918 504808965 /nfs/dbraw/zinc/80/89/65/504808965.db2.gz IZCGLWHOADYVTF-SFHVURJKSA-N 2 1 365.521 3.350 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000559269084 504814364 /nfs/dbraw/zinc/81/43/64/504814364.db2.gz VVFRHPKLMUEFPD-KRWDZBQOSA-N 2 1 361.555 3.438 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549448100 504825179 /nfs/dbraw/zinc/82/51/79/504825179.db2.gz FGQRYNGAJMMQSB-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP Fc1ccccc1-c1cnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000565277342 504840331 /nfs/dbraw/zinc/84/03/31/504840331.db2.gz WDJACMIXISEIJQ-UHFFFAOYSA-N 2 1 373.472 3.415 20 0 FGADMP Nc1nccc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000562702835 504913650 /nfs/dbraw/zinc/91/36/50/504913650.db2.gz SLPXKZQOPZKNNE-FQEVSTJZSA-N 2 1 365.525 3.255 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3(C)CC[NH2+]CC3)cc2)C1 ZINC000562790135 504946357 /nfs/dbraw/zinc/94/63/57/504946357.db2.gz WKBWZCBQPOZIKT-GOSISDBHSA-N 2 1 372.557 3.107 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc4c[nH]nc4cc3C)CC2)CC1 ZINC000553557802 504947767 /nfs/dbraw/zinc/94/77/67/504947767.db2.gz ANMYHRKZYJTCTB-UHFFFAOYSA-N 2 1 369.513 3.006 20 0 FGADMP Cc1[nH+]ccc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000553678550 504980558 /nfs/dbraw/zinc/98/05/58/504980558.db2.gz GGFGILIWAURWRT-IBGZPJMESA-N 2 1 370.928 3.440 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1)C1CC1 ZINC000553774985 505006063 /nfs/dbraw/zinc/00/60/63/505006063.db2.gz PKQHTZXQCKLECW-LAUBAEHRSA-N 2 1 355.526 3.370 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985178 505009476 /nfs/dbraw/zinc/00/94/76/505009476.db2.gz ICVAMZVQXQYEGS-UKRRQHHQSA-N 2 1 361.313 3.055 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989908 505011969 /nfs/dbraw/zinc/01/19/69/505011969.db2.gz BMVXWGPTWQJCGV-GHTZIAJQSA-N 2 1 356.510 3.147 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000556909923 505014977 /nfs/dbraw/zinc/01/49/77/505014977.db2.gz MVZBEXHCKFLOOO-PLACYPQZSA-N 2 1 350.510 3.371 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000556909923 505014982 /nfs/dbraw/zinc/01/49/82/505014982.db2.gz MVZBEXHCKFLOOO-PLACYPQZSA-N 2 1 350.510 3.371 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(I)c3)CC[C@@H]21 ZINC000560258685 505031604 /nfs/dbraw/zinc/03/16/04/505031604.db2.gz SCRIMTQCDGNHMA-HOCLYGCPSA-N 2 1 370.278 3.207 20 0 FGADMP [NH3+]CCCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000563073769 505040338 /nfs/dbraw/zinc/04/03/38/505040338.db2.gz KAUKQPUFYUWSAZ-UHFFFAOYSA-N 2 1 358.313 3.203 20 0 FGADMP C[N@@H+](CCOCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000563155212 505061675 /nfs/dbraw/zinc/06/16/75/505061675.db2.gz GKCUUGMJDOMPAL-UHFFFAOYSA-N 2 1 356.495 3.008 20 0 FGADMP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000566100927 505080794 /nfs/dbraw/zinc/08/07/94/505080794.db2.gz UVELWPKPMWGXRO-GCJKJVERSA-N 2 1 365.521 3.437 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000557339606 505111384 /nfs/dbraw/zinc/11/13/84/505111384.db2.gz XFCHLAGATKUSHR-MAUKXSAKSA-N 2 1 361.511 3.430 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000560525935 505114538 /nfs/dbraw/zinc/11/45/38/505114538.db2.gz BGNXSYNLMYNZNP-FJIDUMEYSA-N 2 1 363.933 3.390 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000557483752 505147500 /nfs/dbraw/zinc/14/75/00/505147500.db2.gz UKUBRNZXYOBIQZ-HXUWFJFHSA-N 2 1 364.493 3.457 20 0 FGADMP CCN1CCCC[C@@H]1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000557483752 505147504 /nfs/dbraw/zinc/14/75/04/505147504.db2.gz UKUBRNZXYOBIQZ-HXUWFJFHSA-N 2 1 364.493 3.457 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1cccc(F)c1 ZINC000551065436 505151681 /nfs/dbraw/zinc/15/16/81/505151681.db2.gz VDLQXKDTIGQFGB-UHFFFAOYSA-N 2 1 369.484 3.451 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H](c1nccn1C)C(F)(F)F ZINC000557534622 505159815 /nfs/dbraw/zinc/15/98/15/505159815.db2.gz MLMKOLAYFNXUAK-LSDHHAIUSA-N 2 1 374.451 3.227 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000551239175 505184026 /nfs/dbraw/zinc/18/40/26/505184026.db2.gz NEIOBFXEIMLTNF-WBVHZDCISA-N 2 1 373.463 3.370 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641498 505191098 /nfs/dbraw/zinc/19/10/98/505191098.db2.gz TYUZBFXQRLALAN-UNMCSNQZSA-N 2 1 357.542 3.231 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000554622075 505225338 /nfs/dbraw/zinc/22/53/38/505225338.db2.gz MGMBBUPFTKVYHJ-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920072 505276552 /nfs/dbraw/zinc/27/65/52/505276552.db2.gz UPWJMTNLDGXJEG-LEWJYISDSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920072 505276553 /nfs/dbraw/zinc/27/65/53/505276553.db2.gz UPWJMTNLDGXJEG-LEWJYISDSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920072 505276556 /nfs/dbraw/zinc/27/65/56/505276556.db2.gz UPWJMTNLDGXJEG-LEWJYISDSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920072 505276559 /nfs/dbraw/zinc/27/65/59/505276559.db2.gz UPWJMTNLDGXJEG-LEWJYISDSA-N 2 1 364.489 3.412 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012321 505285382 /nfs/dbraw/zinc/28/53/82/505285382.db2.gz POFWCCPBWPXZQZ-CNNODRBYSA-N 2 1 369.553 3.475 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000561283655 505304253 /nfs/dbraw/zinc/30/42/53/505304253.db2.gz UBJKSEWPROGBFZ-YUELXQCFSA-N 2 1 362.499 3.077 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000551908375 505339746 /nfs/dbraw/zinc/33/97/46/505339746.db2.gz HRVNOMQRYAZZLJ-XLIONFOSSA-N 2 1 373.541 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261237 505346816 /nfs/dbraw/zinc/34/68/16/505346816.db2.gz ZXKDLZBJKFIGDY-AZUAARDMSA-N 2 1 361.493 3.440 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000564262117 505366103 /nfs/dbraw/zinc/36/61/03/505366103.db2.gz XZFBRULDFQUUPZ-MISYRCLQSA-N 2 1 354.498 3.203 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)N(C)Cc1ccccc1 ZINC000564262117 505366105 /nfs/dbraw/zinc/36/61/05/505366105.db2.gz XZFBRULDFQUUPZ-MISYRCLQSA-N 2 1 354.498 3.203 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000552021943 505372801 /nfs/dbraw/zinc/37/28/01/505372801.db2.gz LHCWZYPAMSICLA-JGUMPVPUSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000552021943 505372806 /nfs/dbraw/zinc/37/28/06/505372806.db2.gz LHCWZYPAMSICLA-JGUMPVPUSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000552021943 505372809 /nfs/dbraw/zinc/37/28/09/505372809.db2.gz LHCWZYPAMSICLA-JGUMPVPUSA-N 2 1 354.494 3.137 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555233286 505386332 /nfs/dbraw/zinc/38/63/32/505386332.db2.gz UFNHQKYIRRECKN-NCCWBEGSSA-N 2 1 363.933 3.368 20 0 FGADMP C[N@H+](C[C@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384477 505402374 /nfs/dbraw/zinc/40/23/74/505402374.db2.gz RTDSIFQTXPDHET-IBGZPJMESA-N 2 1 360.498 3.005 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384477 505402379 /nfs/dbraw/zinc/40/23/79/505402379.db2.gz RTDSIFQTXPDHET-IBGZPJMESA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384477 505402387 /nfs/dbraw/zinc/40/23/87/505402387.db2.gz RTDSIFQTXPDHET-IBGZPJMESA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384477 505402391 /nfs/dbraw/zinc/40/23/91/505402391.db2.gz RTDSIFQTXPDHET-IBGZPJMESA-N 2 1 360.498 3.005 20 0 FGADMP CCN(Cc1cccs1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000564479960 505429974 /nfs/dbraw/zinc/42/99/74/505429974.db2.gz JHGBDSHATYUURN-UHFFFAOYSA-N 2 1 363.571 3.293 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602710 505436316 /nfs/dbraw/zinc/43/63/16/505436316.db2.gz LRXYCNREEHCASG-AEFFLSMTSA-N 2 1 364.534 3.145 20 0 FGADMP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552250237 505440520 /nfs/dbraw/zinc/44/05/20/505440520.db2.gz YZAWRCODWPZIJX-BHDDXSALSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552250237 505440522 /nfs/dbraw/zinc/44/05/22/505440522.db2.gz YZAWRCODWPZIJX-BHDDXSALSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552250237 505440526 /nfs/dbraw/zinc/44/05/26/505440526.db2.gz YZAWRCODWPZIJX-BHDDXSALSA-N 3 1 352.526 3.472 20 0 FGADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250874 505440822 /nfs/dbraw/zinc/44/08/22/505440822.db2.gz DHWGHFHNDAPSNQ-GSPCLOLRSA-N 2 1 374.569 3.300 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558781233 505490366 /nfs/dbraw/zinc/49/03/66/505490366.db2.gz MBUZXLHBCXLABU-UHFFFAOYSA-N 2 1 370.541 3.441 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H]2CCC[C@H]21 ZINC000567532280 505490477 /nfs/dbraw/zinc/49/04/77/505490477.db2.gz RQSDHJFKDXVQJS-IRFCIJBXSA-N 2 1 364.493 3.296 20 0 FGADMP CC(C)(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000564794861 505522146 /nfs/dbraw/zinc/52/21/46/505522146.db2.gz BACAWLZDVVSPMA-NRFANRHFSA-N 2 1 365.521 3.277 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@H](c1ccccc1)CC2 ZINC000564825711 505530179 /nfs/dbraw/zinc/53/01/79/505530179.db2.gz DPZDHQXYSHISGZ-RANZSIQMSA-N 2 1 371.550 3.258 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000567677262 505531993 /nfs/dbraw/zinc/53/19/93/505531993.db2.gz NMSCCVCVMYSIGA-UHFFFAOYSA-N 2 1 360.523 3.090 20 0 FGADMP Cc1[nH+]c2c(Cl)cccc2c(N2CC[NH+](CCC(=O)N(C)C)CC2)c1C ZINC000562239622 505548625 /nfs/dbraw/zinc/54/86/25/505548625.db2.gz USPOLWCCAGTGPS-UHFFFAOYSA-N 2 1 374.916 3.105 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1cccnc1 ZINC000608061147 506402420 /nfs/dbraw/zinc/40/24/20/506402420.db2.gz AKAKICCLWBBBMI-VQIMIIECSA-N 2 1 355.482 3.242 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1cccnc1 ZINC000608061147 506402424 /nfs/dbraw/zinc/40/24/24/506402424.db2.gz AKAKICCLWBBBMI-VQIMIIECSA-N 2 1 355.482 3.242 20 0 FGADMP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860927 506458644 /nfs/dbraw/zinc/45/86/44/506458644.db2.gz NCSATCJNKBHPBR-IFMALSPDSA-N 2 1 352.478 3.126 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217234 506488055 /nfs/dbraw/zinc/48/80/55/506488055.db2.gz DTADQHCYEUZDIX-ICSRJNTNSA-N 2 1 360.546 3.161 20 0 FGADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000582971950 506516755 /nfs/dbraw/zinc/51/67/55/506516755.db2.gz BAHOGGRIQBUWRZ-FQEVSTJZSA-N 2 1 351.494 3.251 20 0 FGADMP CCC(CC)(C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000608477174 506579849 /nfs/dbraw/zinc/57/98/49/506579849.db2.gz FUPPBLUNZFNLTD-OAQYLSRUSA-N 2 1 371.569 3.371 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2[nH]nc3ccccc32)[C@@H](c2ccccc2)C1 ZINC000589639579 506615865 /nfs/dbraw/zinc/61/58/65/506615865.db2.gz OGWDVXWEQYNOCD-JOCHJYFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645612 506646173 /nfs/dbraw/zinc/64/61/73/506646173.db2.gz QAKDVLUUKLHNTL-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+](CCN1CCN(c2cc[nH+]c3ccccc32)CC1)Cc1ccccc1 ZINC000599884264 506696320 /nfs/dbraw/zinc/69/63/20/506696320.db2.gz CWKHCZBPQBOJDF-UHFFFAOYSA-N 2 1 360.505 3.489 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112288 506718304 /nfs/dbraw/zinc/71/83/04/506718304.db2.gz SMQCXFBCEHBARD-TZIWHRDSSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000604179042 506739589 /nfs/dbraw/zinc/73/95/89/506739589.db2.gz ANHODMGKKUNDSL-UXHICEINSA-N 2 1 374.573 3.189 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC000590154375 506751561 /nfs/dbraw/zinc/75/15/61/506751561.db2.gz FDIBJEKKMVHWME-IBGZPJMESA-N 2 1 352.567 3.013 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000612873022 506793015 /nfs/dbraw/zinc/79/30/15/506793015.db2.gz NQIIMTSZCDMRSD-OAQYLSRUSA-N 2 1 358.530 3.002 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000604384546 506810328 /nfs/dbraw/zinc/81/03/28/506810328.db2.gz WAVXYRNTUPTCJF-FQEVSTJZSA-N 2 1 361.505 3.373 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc4cccnc4o3)CC2)oc1C ZINC000583605236 506873045 /nfs/dbraw/zinc/87/30/45/506873045.db2.gz GNRLCYDNTAQMLO-UHFFFAOYSA-N 2 1 354.454 3.434 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000583657187 506898253 /nfs/dbraw/zinc/89/82/53/506898253.db2.gz CMJKPKNSCZOAJS-HXUWFJFHSA-N 2 1 354.542 3.469 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656140 506902741 /nfs/dbraw/zinc/90/27/41/506902741.db2.gz CYIFTPMVNDXWJB-PZJWPPBQSA-N 2 1 372.557 3.197 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786782 506957639 /nfs/dbraw/zinc/95/76/39/506957639.db2.gz MNFACGPSBNDVDF-UHFFFAOYSA-N 2 1 367.921 3.339 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786782 506957644 /nfs/dbraw/zinc/95/76/44/506957644.db2.gz MNFACGPSBNDVDF-UHFFFAOYSA-N 2 1 367.921 3.339 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000594288802 507064783 /nfs/dbraw/zinc/06/47/83/507064783.db2.gz VOXAWLXOIUFPFO-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2o1 ZINC000600720222 507081406 /nfs/dbraw/zinc/08/14/06/507081406.db2.gz GAPNIZMNPKOCEP-KBPBESRZSA-N 2 1 370.371 3.179 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2o1 ZINC000600720222 507081413 /nfs/dbraw/zinc/08/14/13/507081413.db2.gz GAPNIZMNPKOCEP-KBPBESRZSA-N 2 1 370.371 3.179 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000583990304 507091317 /nfs/dbraw/zinc/09/13/17/507091317.db2.gz SHRZOEDDDFJZEM-JCYILVPMSA-N 2 1 372.431 3.052 20 0 FGADMP O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000584111017 507157527 /nfs/dbraw/zinc/15/75/27/507157527.db2.gz GWFUJQURXGLHQU-SFTDATJTSA-N 2 1 355.526 3.163 20 0 FGADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000594518502 507166469 /nfs/dbraw/zinc/16/64/69/507166469.db2.gz IXVSIWMMVZAPEX-GOSISDBHSA-N 2 1 368.562 3.368 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605398537 507174093 /nfs/dbraw/zinc/17/40/93/507174093.db2.gz PTJYXTGHMPHPQV-QFIPXVFZSA-N 2 1 372.472 3.251 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584289828 507261289 /nfs/dbraw/zinc/26/12/89/507261289.db2.gz LEJIORBAZAJTQC-PKOBYXMFSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584289828 507261296 /nfs/dbraw/zinc/26/12/96/507261296.db2.gz LEJIORBAZAJTQC-PKOBYXMFSA-N 2 1 367.896 3.120 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000584323905 507278981 /nfs/dbraw/zinc/27/89/81/507278981.db2.gz NGKFZZBMEUXGDL-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323905 507278992 /nfs/dbraw/zinc/27/89/92/507278992.db2.gz NGKFZZBMEUXGDL-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323905 507278999 /nfs/dbraw/zinc/27/89/99/507278999.db2.gz NGKFZZBMEUXGDL-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000584353844 507299084 /nfs/dbraw/zinc/29/90/84/507299084.db2.gz RTYZZMFDHVKPBS-HXUWFJFHSA-N 2 1 370.566 3.413 20 0 FGADMP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000584353844 507299085 /nfs/dbraw/zinc/29/90/85/507299085.db2.gz RTYZZMFDHVKPBS-HXUWFJFHSA-N 2 1 370.566 3.413 20 0 FGADMP Ic1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000595093584 507388236 /nfs/dbraw/zinc/38/82/36/507388236.db2.gz CQUITMMQQMPDOH-UHFFFAOYSA-N 2 1 370.278 3.050 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601346390 507341166 /nfs/dbraw/zinc/34/11/66/507341166.db2.gz DUHAZQNJPOGUPX-HXUWFJFHSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000584437555 507342060 /nfs/dbraw/zinc/34/20/60/507342060.db2.gz NCWLLVYDLUUXST-WTGUMLROSA-N 2 1 352.563 3.403 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360888 507374727 /nfs/dbraw/zinc/37/47/27/507374727.db2.gz YLSNMCIZYFPDNO-CDDKBXLESA-N 2 1 357.542 3.355 20 0 FGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000584529003 507395634 /nfs/dbraw/zinc/39/56/34/507395634.db2.gz JUFBZXFTZHHCTI-UOODJLLFSA-N 2 1 370.541 3.125 20 0 FGADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000614211148 507406701 /nfs/dbraw/zinc/40/67/01/507406701.db2.gz YVMRWWDICFVEPX-FQEVSTJZSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+]1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000614211148 507406708 /nfs/dbraw/zinc/40/67/08/507406708.db2.gz YVMRWWDICFVEPX-FQEVSTJZSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4[N@H+](C)CCCC4(C)C)cc3c2C1 ZINC000614211148 507406714 /nfs/dbraw/zinc/40/67/14/507406714.db2.gz YVMRWWDICFVEPX-FQEVSTJZSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4[N@@H+](C)CCCC4(C)C)cc3c2C1 ZINC000614211148 507406724 /nfs/dbraw/zinc/40/67/24/507406724.db2.gz YVMRWWDICFVEPX-FQEVSTJZSA-N 2 1 368.525 3.006 20 0 FGADMP O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000614226684 507413940 /nfs/dbraw/zinc/41/39/40/507413940.db2.gz UVYILILVEWWDEH-SFHVURJKSA-N 2 1 370.541 3.238 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2c2ccc(C)cc2)CC1 ZINC000606540851 507439978 /nfs/dbraw/zinc/43/99/78/507439978.db2.gz NYWBUAAXUDWXQZ-AVRDEDQJSA-N 2 1 357.542 3.369 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000606638520 507463555 /nfs/dbraw/zinc/46/35/55/507463555.db2.gz MZURVWXHPWZSJY-UHFFFAOYSA-N 2 1 364.578 3.301 20 0 FGADMP C[NH+](CCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000606638520 507463557 /nfs/dbraw/zinc/46/35/57/507463557.db2.gz MZURVWXHPWZSJY-UHFFFAOYSA-N 2 1 364.578 3.301 20 0 FGADMP C[NH+](CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000606638520 507463561 /nfs/dbraw/zinc/46/35/61/507463561.db2.gz MZURVWXHPWZSJY-UHFFFAOYSA-N 2 1 364.578 3.301 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCSc3ccc(F)cc3F)C2)CC1 ZINC000595337748 507463986 /nfs/dbraw/zinc/46/39/86/507463986.db2.gz KHAHNEPLHHNXFR-KRWDZBQOSA-N 2 1 369.525 3.157 20 0 FGADMP C[C@@H](NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660225 507471979 /nfs/dbraw/zinc/47/19/79/507471979.db2.gz YEPXZIVGPJFHGM-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852408 507542041 /nfs/dbraw/zinc/54/20/41/507542041.db2.gz DGEJRZYRKRGMGD-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852408 507542046 /nfs/dbraw/zinc/54/20/46/507542046.db2.gz DGEJRZYRKRGMGD-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852408 507542050 /nfs/dbraw/zinc/54/20/50/507542050.db2.gz DGEJRZYRKRGMGD-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000602515936 507735252 /nfs/dbraw/zinc/73/52/52/507735252.db2.gz FBIJHPZBOWLFAW-WDEREUQCSA-N 2 1 362.280 3.069 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000602515936 507735255 /nfs/dbraw/zinc/73/52/55/507735255.db2.gz FBIJHPZBOWLFAW-WDEREUQCSA-N 2 1 362.280 3.069 20 0 FGADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[nH]1 ZINC000602522964 507736692 /nfs/dbraw/zinc/73/66/92/507736692.db2.gz WYHCKWCPCLVLDN-UHFFFAOYSA-N 2 1 356.401 3.114 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000595907223 507737014 /nfs/dbraw/zinc/73/70/14/507737014.db2.gz TUNZJACOYDHQOA-IBGZPJMESA-N 2 1 362.514 3.185 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000595907223 507737020 /nfs/dbraw/zinc/73/70/20/507737020.db2.gz TUNZJACOYDHQOA-IBGZPJMESA-N 2 1 362.514 3.185 20 0 FGADMP Cc1ccc(NCCCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[nH+]c1 ZINC000477581595 515515758 /nfs/dbraw/zinc/51/57/58/515515758.db2.gz SPQGTVFTTXWBEU-UHFFFAOYSA-N 2 1 361.449 3.183 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669117844 568042687 /nfs/dbraw/zinc/04/26/87/568042687.db2.gz ULORBMAMQCJHLM-PXNSSMCTSA-N 2 1 358.530 3.002 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261202 609152097 /nfs/dbraw/zinc/15/20/97/609152097.db2.gz DWOWLNDVQZOIKD-LSDHHAIUSA-N 2 1 360.481 3.024 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261202 609152100 /nfs/dbraw/zinc/15/21/00/609152100.db2.gz DWOWLNDVQZOIKD-LSDHHAIUSA-N 2 1 360.481 3.024 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261200 609152144 /nfs/dbraw/zinc/15/21/44/609152144.db2.gz DWOWLNDVQZOIKD-GJZGRUSLSA-N 2 1 360.481 3.024 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261200 609152146 /nfs/dbraw/zinc/15/21/46/609152146.db2.gz DWOWLNDVQZOIKD-GJZGRUSLSA-N 2 1 360.481 3.024 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000081095937 700329368 /nfs/dbraw/zinc/32/93/68/700329368.db2.gz HMENNNJJZLMANN-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000081095937 700329374 /nfs/dbraw/zinc/32/93/74/700329374.db2.gz HMENNNJJZLMANN-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000081095937 700329378 /nfs/dbraw/zinc/32/93/78/700329378.db2.gz HMENNNJJZLMANN-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000101664745 700470147 /nfs/dbraw/zinc/47/01/47/700470147.db2.gz HODSUBSTHBWRQW-QGZVFWFLSA-N 2 1 360.527 3.062 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000101664745 700470151 /nfs/dbraw/zinc/47/01/51/700470151.db2.gz HODSUBSTHBWRQW-QGZVFWFLSA-N 2 1 360.527 3.062 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000120798673 700660151 /nfs/dbraw/zinc/66/01/51/700660151.db2.gz HUTLIRYEDRDRPH-KBPBESRZSA-N 2 1 357.420 3.354 20 0 FGADMP Cc1nc(CNC(=O)OC(C)(C)C)ccc1[C@H](C)[NH2+]CCC[NH+](C)C ZINC000134661190 704829412 /nfs/dbraw/zinc/82/94/12/704829412.db2.gz YACXKICSTHAWGM-AWEZNQCLSA-N 2 1 350.507 3.017 20 0 FGADMP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192651061 712869384 /nfs/dbraw/zinc/86/93/84/712869384.db2.gz ZMRAGIXUDOUVBK-GFCCVEGCSA-N 2 1 360.329 3.376 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665518 713655861 /nfs/dbraw/zinc/65/58/61/713655861.db2.gz MFQBKHOAIGVYSE-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000261786941 713714281 /nfs/dbraw/zinc/71/42/81/713714281.db2.gz HUTLIRYEDRDRPH-KGLIPLIRSA-N 2 1 357.420 3.354 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000261897182 713715774 /nfs/dbraw/zinc/71/57/74/713715774.db2.gz OKOROYYWISMVAE-NJZAAPMLSA-N 2 1 356.297 3.381 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000262012740 713717091 /nfs/dbraw/zinc/71/70/91/713717091.db2.gz UUJFCXYHSPINAY-UHFFFAOYSA-N 2 1 357.470 3.261 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641802655 717930955 /nfs/dbraw/zinc/93/09/55/717930955.db2.gz AIHXFXDFYDMBDH-ZEGGKSINSA-N 2 1 363.811 3.401 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000453241280 714057536 /nfs/dbraw/zinc/05/75/36/714057536.db2.gz UEQDSLSUOSSWIC-DXBWTPJFSA-N 2 1 364.555 3.015 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000453241280 714057539 /nfs/dbraw/zinc/05/75/39/714057539.db2.gz UEQDSLSUOSSWIC-DXBWTPJFSA-N 2 1 364.555 3.015 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)s1 ZINC000521851901 714152116 /nfs/dbraw/zinc/15/21/16/714152116.db2.gz QAHVNXKXBGCVHV-MRXNPFEDSA-N 2 1 351.560 3.360 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000523094812 714218147 /nfs/dbraw/zinc/21/81/47/714218147.db2.gz HTJRFYWWOPUQEB-MRXNPFEDSA-N 2 1 366.575 3.063 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCc2ccc(Cl)cc2)CC1 ZINC000524156220 714270647 /nfs/dbraw/zinc/27/06/47/714270647.db2.gz VVCRVQRKVROPRL-UHFFFAOYSA-N 2 1 365.949 3.051 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000525484660 714356264 /nfs/dbraw/zinc/35/62/64/714356264.db2.gz IYNFOKIQMVYKQL-CALCHBBNSA-N 2 1 361.555 3.355 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992402 714448931 /nfs/dbraw/zinc/44/89/31/714448931.db2.gz JFGRTNDOSXVUNS-WBVHZDCISA-N 2 1 358.448 3.319 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)oc2ccccc21 ZINC000617502336 714662721 /nfs/dbraw/zinc/66/27/21/714662721.db2.gz LYPVNPKBOCDOEB-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)oc2ccccc21 ZINC000617502336 714662723 /nfs/dbraw/zinc/66/27/23/714662723.db2.gz LYPVNPKBOCDOEB-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000620937742 714951064 /nfs/dbraw/zinc/95/10/64/714951064.db2.gz ALUADIKGJWMYMO-IBGZPJMESA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1Br ZINC000621660203 715015048 /nfs/dbraw/zinc/01/50/48/715015048.db2.gz BXYGEENGLIFOLD-CYBMUJFWSA-N 2 1 368.319 3.229 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000643524501 718038214 /nfs/dbraw/zinc/03/82/14/718038214.db2.gz QCJCTLJXCTVURV-ZFVVBOAOSA-N 2 1 353.304 3.257 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000623377011 715321291 /nfs/dbraw/zinc/32/12/91/715321291.db2.gz KWSNLOYXJJOXKX-LBPRGKRZSA-N 2 1 355.276 3.140 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000623377011 715321301 /nfs/dbraw/zinc/32/13/01/715321301.db2.gz KWSNLOYXJJOXKX-LBPRGKRZSA-N 2 1 355.276 3.140 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454675 715340026 /nfs/dbraw/zinc/34/00/26/715340026.db2.gz NQSHXOCMDBTSSN-HOCLYGCPSA-N 2 1 358.448 3.319 20 0 FGADMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)ccc1Cl ZINC000623564141 715362034 /nfs/dbraw/zinc/36/20/34/715362034.db2.gz SYEPJFWFNDPYEC-GOSISDBHSA-N 2 1 360.885 3.205 20 0 FGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)CC(F)F ZINC000624329107 715512656 /nfs/dbraw/zinc/51/26/56/715512656.db2.gz MGJZRLZMDRNZES-IPMKNSEASA-N 2 1 351.485 3.216 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(C(F)F)cc1C ZINC000625022761 715643945 /nfs/dbraw/zinc/64/39/45/715643945.db2.gz BMBBFSXLXGZJDW-AWEZNQCLSA-N 2 1 357.445 3.014 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629571999 716311174 /nfs/dbraw/zinc/31/11/74/716311174.db2.gz LQUYKSSCHOIDRB-UHFFFAOYSA-N 2 1 358.326 3.392 20 0 FGADMP Fc1ccc(OC(F)F)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629591152 716315076 /nfs/dbraw/zinc/31/50/76/716315076.db2.gz BDAJGUUQKRXGKI-MRXNPFEDSA-N 2 1 358.404 3.018 20 0 FGADMP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629672431 716334009 /nfs/dbraw/zinc/33/40/09/716334009.db2.gz KHFQRKBCSMWFMD-MRXNPFEDSA-N 2 1 360.395 3.435 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(C(F)F)nc2)c2cccs2)CC1 ZINC000631030782 716550874 /nfs/dbraw/zinc/55/08/74/716550874.db2.gz ZAYKVKVZRDLFFQ-MRXNPFEDSA-N 2 1 366.481 3.159 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000632898110 716838327 /nfs/dbraw/zinc/83/83/27/716838327.db2.gz IFVIVCBFQYSYIN-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](n2ccnc2)C(F)(F)F)C1 ZINC000635324976 717161690 /nfs/dbraw/zinc/16/16/90/717161690.db2.gz KQQSKGKDAFZLBU-CABCVRRESA-N 2 1 360.424 3.005 20 0 FGADMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000635533506 717176532 /nfs/dbraw/zinc/17/65/32/717176532.db2.gz RZEHGWKVBQRLDO-KRWDZBQOSA-N 2 1 363.933 3.010 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602757 717181150 /nfs/dbraw/zinc/18/11/50/717181150.db2.gz JGCFTSQXWJPAAA-SZVBFZGTSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602757 717181152 /nfs/dbraw/zinc/18/11/52/717181152.db2.gz JGCFTSQXWJPAAA-SZVBFZGTSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602757 717181154 /nfs/dbraw/zinc/18/11/54/717181154.db2.gz JGCFTSQXWJPAAA-SZVBFZGTSA-N 2 1 361.555 3.264 20 0 FGADMP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000638294791 717431395 /nfs/dbraw/zinc/43/13/95/717431395.db2.gz RYEJZUMHBLZDNU-INIZCTEOSA-N 2 1 368.308 3.122 20 0 FGADMP COc1nsc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000639177865 717528095 /nfs/dbraw/zinc/52/80/95/717528095.db2.gz XQTLCHNAHOYLDE-LBPRGKRZSA-N 2 1 374.348 3.078 20 0 FGADMP COc1nsc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000639177865 717528099 /nfs/dbraw/zinc/52/80/99/717528099.db2.gz XQTLCHNAHOYLDE-LBPRGKRZSA-N 2 1 374.348 3.078 20 0 FGADMP Cc1cc(OC[C@@H](O)C[NH2+]C2CC[NH+](C)CC2)c(C(C)C)cc1Cl ZINC000644513475 718115698 /nfs/dbraw/zinc/11/56/98/718115698.db2.gz NZOOMXQWUZUNAU-INIZCTEOSA-N 2 1 354.922 3.195 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000644525430 718119325 /nfs/dbraw/zinc/11/93/25/718119325.db2.gz KUTJNYMGNAXZRP-VCBZYWHSSA-N 2 1 365.905 3.209 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000644547391 718121962 /nfs/dbraw/zinc/12/19/62/718121962.db2.gz SGNRRNPWVDHNHJ-KRWDZBQOSA-N 2 1 361.555 3.066 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000644547391 718121964 /nfs/dbraw/zinc/12/19/64/718121964.db2.gz SGNRRNPWVDHNHJ-KRWDZBQOSA-N 2 1 361.555 3.066 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644636735 718136787 /nfs/dbraw/zinc/13/67/87/718136787.db2.gz DMDBXJBDEKAGMA-NRXISQOPSA-N 2 1 373.324 3.340 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000645339366 718203670 /nfs/dbraw/zinc/20/36/70/718203670.db2.gz PXBTYXYDUACRNY-QZTJIDSGSA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295161 718275987 /nfs/dbraw/zinc/27/59/87/718275987.db2.gz ZHDRWDUPOTXNAM-FUHWJXTLSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295161 718275990 /nfs/dbraw/zinc/27/59/90/718275990.db2.gz ZHDRWDUPOTXNAM-FUHWJXTLSA-N 2 1 367.896 3.391 20 0 FGADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544567 718366958 /nfs/dbraw/zinc/36/69/58/718366958.db2.gz YCILSTTUMYXVGT-UONOGXRCSA-N 2 1 353.304 3.366 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000647815330 718379273 /nfs/dbraw/zinc/37/92/73/718379273.db2.gz ZSLYIIMGCNAJHH-UHFFFAOYSA-N 2 1 357.267 3.183 20 0 FGADMP O=C(c1c(F)cccc1Cl)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647882598 718382840 /nfs/dbraw/zinc/38/28/40/718382840.db2.gz ATMXRCIJCKNGHJ-UHFFFAOYSA-N 2 1 367.896 3.017 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975619 718390994 /nfs/dbraw/zinc/39/09/94/718390994.db2.gz CRDKZPAQGMDIOB-WMZOPIPTSA-N 2 1 363.933 3.058 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978646 718391653 /nfs/dbraw/zinc/39/16/53/718391653.db2.gz WHAMQBLPHLKSSP-HZPDHXFCSA-N 2 1 359.905 3.132 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977189 718391675 /nfs/dbraw/zinc/39/16/75/718391675.db2.gz YYASMCWWABRDNH-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977189 718391676 /nfs/dbraw/zinc/39/16/76/718391676.db2.gz YYASMCWWABRDNH-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288211 718501422 /nfs/dbraw/zinc/50/14/22/718501422.db2.gz CZHSPBRXZWOHIW-YOEHRIQHSA-N 2 1 351.441 3.102 20 0 FGADMP [NH3+][C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299289 718502158 /nfs/dbraw/zinc/50/21/58/718502158.db2.gz FMWJLOSMPDQWLW-RBUKOAKNSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299289 718502162 /nfs/dbraw/zinc/50/21/62/718502162.db2.gz FMWJLOSMPDQWLW-RBUKOAKNSA-N 2 1 357.885 3.121 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307303 718502962 /nfs/dbraw/zinc/50/29/62/718502962.db2.gz GDZHZXQXESZGMF-CCKFTAQKSA-N 2 1 357.885 3.292 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307303 718502964 /nfs/dbraw/zinc/50/29/64/718502964.db2.gz GDZHZXQXESZGMF-CCKFTAQKSA-N 2 1 357.885 3.292 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705822 718717157 /nfs/dbraw/zinc/71/71/57/718717157.db2.gz XIOZUIBIYSHPCV-SRCQZFHVSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H]1CC[NH3+] ZINC000650712083 718718620 /nfs/dbraw/zinc/71/86/20/718718620.db2.gz PXFFDJPBAZMNCD-CJNGLKHVSA-N 2 1 359.495 3.488 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H]1CC[NH3+] ZINC000650712083 718718624 /nfs/dbraw/zinc/71/86/24/718718624.db2.gz PXFFDJPBAZMNCD-CJNGLKHVSA-N 2 1 359.495 3.488 20 0 FGADMP COc1cc(Br)ccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717531 718719111 /nfs/dbraw/zinc/71/91/11/718719111.db2.gz DHYZXQBBGVLOQV-UHFFFAOYSA-N 2 1 353.235 3.345 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000650721885 718720235 /nfs/dbraw/zinc/72/02/35/718720235.db2.gz FAHYUVNGDQGMHY-MRVWCRGKSA-N 2 1 359.333 3.371 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362552 718936840 /nfs/dbraw/zinc/93/68/40/718936840.db2.gz JOGASRKTJDCWPR-KFKAGJAMSA-N 2 1 350.528 3.148 20 0 FGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCc2ccc(C(F)(F)F)cc2)CC1 ZINC000653728921 719083012 /nfs/dbraw/zinc/08/30/12/719083012.db2.gz RGGQBRVOMSDFER-UHFFFAOYSA-N 2 1 358.448 3.463 20 0 FGADMP Clc1cnc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655733853 719331639 /nfs/dbraw/zinc/33/16/39/719331639.db2.gz SZWNRWMRSVHSFD-HNNXBMFYSA-N 2 1 374.312 3.000 20 0 FGADMP c1ccc2c(c1)O[C@H](CC[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CS2 ZINC000655779190 719339191 /nfs/dbraw/zinc/33/91/91/719339191.db2.gz FMZHJSFRBVCJDT-ZWKOTPCHSA-N 2 1 362.539 3.163 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681713 719603424 /nfs/dbraw/zinc/60/34/24/719603424.db2.gz AAPNQQFOQPXNEW-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Cl)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681713 719603428 /nfs/dbraw/zinc/60/34/28/719603428.db2.gz AAPNQQFOQPXNEW-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@H+](CCC[NH+]2CCCCC2)C2CC2)C1 ZINC000781901284 724609244 /nfs/dbraw/zinc/60/92/44/724609244.db2.gz RXSPPHSEMLDSEH-SFHVURJKSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([N@@H+](CCC[NH+]2CCCCC2)C2CC2)C1 ZINC000781901284 724609246 /nfs/dbraw/zinc/60/92/46/724609246.db2.gz RXSPPHSEMLDSEH-SFHVURJKSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000781913360 724611887 /nfs/dbraw/zinc/61/18/87/724611887.db2.gz PQJZAJVBYDYDDB-MSOLQXFVSA-N 2 1 351.535 3.336 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CCC[NH+]1CCCCC1 ZINC000781913360 724611891 /nfs/dbraw/zinc/61/18/91/724611891.db2.gz PQJZAJVBYDYDDB-MSOLQXFVSA-N 2 1 351.535 3.336 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000657750378 719704416 /nfs/dbraw/zinc/70/44/16/719704416.db2.gz IWHPNYDHCKEWMQ-KBXCAEBGSA-N 2 1 367.331 3.396 20 0 FGADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657842839 719719744 /nfs/dbraw/zinc/71/97/44/719719744.db2.gz BFRPLCQXHRWZHU-KRWDZBQOSA-N 2 1 369.347 3.207 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1cccc(Cl)c1Cl ZINC000659296548 719892764 /nfs/dbraw/zinc/89/27/64/719892764.db2.gz GEJDFPRBDVDAMN-GOEBONIOSA-N 2 1 358.313 3.278 20 0 FGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc3[nH]ccc3c(C)[nH+]1)C2 ZINC001164817218 720155349 /nfs/dbraw/zinc/15/53/49/720155349.db2.gz PAEAJMVHIZPUDA-LAUBAEHRSA-N 2 1 354.498 3.056 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252790 720405314 /nfs/dbraw/zinc/40/53/14/720405314.db2.gz OXAOOBKRKAATGA-CVEARBPZSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286864 720409913 /nfs/dbraw/zinc/40/99/13/720409913.db2.gz STDNGKOQSSZBKY-VMGRFDJRSA-N 2 1 358.404 3.145 20 0 FGADMP Clc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)nn2)cc1 ZINC000662293768 720411165 /nfs/dbraw/zinc/41/11/65/720411165.db2.gz SZBCUWWDJOKDKC-MRXNPFEDSA-N 2 1 359.905 3.132 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000662295800 720411540 /nfs/dbraw/zinc/41/15/40/720411540.db2.gz UOTKGWQQBJQKSH-CQSZACIVSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000662295800 720411542 /nfs/dbraw/zinc/41/15/42/720411542.db2.gz UOTKGWQQBJQKSH-CQSZACIVSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000662298306 720411913 /nfs/dbraw/zinc/41/19/13/720411913.db2.gz VLHHHVMNNRFDBX-AWEZNQCLSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000662298306 720411932 /nfs/dbraw/zinc/41/19/32/720411932.db2.gz VLHHHVMNNRFDBX-AWEZNQCLSA-N 2 1 360.889 3.200 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322421 720415295 /nfs/dbraw/zinc/41/52/95/720415295.db2.gz LXSWLFIUDRHAOF-QGZVFWFLSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322421 720415297 /nfs/dbraw/zinc/41/52/97/720415297.db2.gz LXSWLFIUDRHAOF-QGZVFWFLSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662552232 720440581 /nfs/dbraw/zinc/44/05/81/720440581.db2.gz PZPODZYQRVNHNY-MRXNPFEDSA-N 2 1 358.313 3.102 20 0 FGADMP Clc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc2c1OCCO2 ZINC000663346601 720503658 /nfs/dbraw/zinc/50/36/58/720503658.db2.gz ALMXQVRKZPCNHS-OAHLLOKOSA-N 2 1 350.890 3.323 20 0 FGADMP Clc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc2c1OCCO2 ZINC000663346601 720503661 /nfs/dbraw/zinc/50/36/61/720503661.db2.gz ALMXQVRKZPCNHS-OAHLLOKOSA-N 2 1 350.890 3.323 20 0 FGADMP CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665637350 720793837 /nfs/dbraw/zinc/79/38/37/720793837.db2.gz AKTDHHMKTXJGPR-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP CCN(Cc1ccccc1Cl)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665637350 720793840 /nfs/dbraw/zinc/79/38/40/720793840.db2.gz AKTDHHMKTXJGPR-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000666668458 720960153 /nfs/dbraw/zinc/96/01/53/720960153.db2.gz AATIBHRLLFYYNX-GOSISDBHSA-N 2 1 350.551 3.005 20 0 FGADMP CSc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000667230069 721058855 /nfs/dbraw/zinc/05/88/55/721058855.db2.gz IJBADXLVNVBEQG-HNNXBMFYSA-N 2 1 352.548 3.110 20 0 FGADMP CSc1cc(C)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000667230069 721058862 /nfs/dbraw/zinc/05/88/62/721058862.db2.gz IJBADXLVNVBEQG-HNNXBMFYSA-N 2 1 352.548 3.110 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739632 721346411 /nfs/dbraw/zinc/34/64/11/721346411.db2.gz NTLBAVKCHRXCLI-LJQANCHMSA-N 2 1 357.523 3.150 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668739632 721346417 /nfs/dbraw/zinc/34/64/17/721346417.db2.gz NTLBAVKCHRXCLI-LJQANCHMSA-N 2 1 357.523 3.150 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164909323 721538767 /nfs/dbraw/zinc/53/87/67/721538767.db2.gz RKLJYEKSEZXTBY-XLIONFOSSA-N 2 1 371.456 3.350 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164909323 721538771 /nfs/dbraw/zinc/53/87/71/721538771.db2.gz RKLJYEKSEZXTBY-XLIONFOSSA-N 2 1 371.456 3.350 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724756 721611587 /nfs/dbraw/zinc/61/15/87/721611587.db2.gz NXPZTPYCMUNQFK-IXXDHKBRSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000671724756 721611588 /nfs/dbraw/zinc/61/15/88/721611588.db2.gz NXPZTPYCMUNQFK-IXXDHKBRSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000671724756 721611589 /nfs/dbraw/zinc/61/15/89/721611589.db2.gz NXPZTPYCMUNQFK-IXXDHKBRSA-N 2 1 373.324 3.290 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053916 721681510 /nfs/dbraw/zinc/68/15/10/721681510.db2.gz FLGHVHPZBZKIPW-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053916 721681511 /nfs/dbraw/zinc/68/15/11/721681511.db2.gz FLGHVHPZBZKIPW-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053916 721681512 /nfs/dbraw/zinc/68/15/12/721681512.db2.gz FLGHVHPZBZKIPW-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053916 721681513 /nfs/dbraw/zinc/68/15/13/721681513.db2.gz FLGHVHPZBZKIPW-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000677237452 721874439 /nfs/dbraw/zinc/87/44/39/721874439.db2.gz ILCHYNMUTNTGCT-BZSNNMDCSA-N 2 1 361.555 3.018 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000677237452 721874441 /nfs/dbraw/zinc/87/44/41/721874441.db2.gz ILCHYNMUTNTGCT-BZSNNMDCSA-N 2 1 361.555 3.018 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000677754436 721914237 /nfs/dbraw/zinc/91/42/37/721914237.db2.gz WQFGCZQVWWSVQL-HIFRSBDPSA-N 2 1 350.557 3.152 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600160 721966684 /nfs/dbraw/zinc/96/66/84/721966684.db2.gz JMUJUELSLKRDHJ-CGTJXYLNSA-N 2 1 356.432 3.073 20 0 FGADMP CN(C)c1cccc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)[nH+]1 ZINC001164954151 722013318 /nfs/dbraw/zinc/01/33/18/722013318.db2.gz JHLLJZVAQIDJBX-UHFFFAOYSA-N 2 1 351.498 3.035 20 0 FGADMP Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Cl)c1C ZINC000679984450 722058595 /nfs/dbraw/zinc/05/85/95/722058595.db2.gz LEFGPLJUZDKUSK-QGZVFWFLSA-N 2 1 363.933 3.197 20 0 FGADMP Cc1ccc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1C ZINC000679984450 722058598 /nfs/dbraw/zinc/05/85/98/722058598.db2.gz LEFGPLJUZDKUSK-QGZVFWFLSA-N 2 1 363.933 3.197 20 0 FGADMP C[N@H+](Cc1cscc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848027 722405485 /nfs/dbraw/zinc/40/54/85/722405485.db2.gz PHYZAOXWTKPICR-OAHLLOKOSA-N 2 1 361.477 3.367 20 0 FGADMP C[N@@H+](Cc1cscc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848027 722405487 /nfs/dbraw/zinc/40/54/87/722405487.db2.gz PHYZAOXWTKPICR-OAHLLOKOSA-N 2 1 361.477 3.367 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000729267973 722458554 /nfs/dbraw/zinc/45/85/54/722458554.db2.gz CSMSPDFYVSVZML-KRWDZBQOSA-N 2 1 353.551 3.438 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000732448580 722484927 /nfs/dbraw/zinc/48/49/27/722484927.db2.gz GUHMTNYLRSQEHF-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385400 722545326 /nfs/dbraw/zinc/54/53/26/722545326.db2.gz FTDWORQIJDDYIO-FCEWJHQRSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385400 722545327 /nfs/dbraw/zinc/54/53/27/722545327.db2.gz FTDWORQIJDDYIO-FCEWJHQRSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385400 722545328 /nfs/dbraw/zinc/54/53/28/722545328.db2.gz FTDWORQIJDDYIO-FCEWJHQRSA-N 2 1 354.922 3.052 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000750734482 722779369 /nfs/dbraw/zinc/77/93/69/722779369.db2.gz GQBWAQUJZBUKQB-VSRDTVRMSA-N 2 1 363.933 3.228 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cccnc3Cl)CC2)CC1 ZINC000750837460 722782845 /nfs/dbraw/zinc/78/28/45/722782845.db2.gz ZCLXGMVGFQKNRW-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccnc3Cl)CC2)CC1 ZINC000750837460 722782847 /nfs/dbraw/zinc/78/28/47/722782847.db2.gz ZCLXGMVGFQKNRW-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1F ZINC000751009173 722790201 /nfs/dbraw/zinc/79/02/01/722790201.db2.gz BVEKRZUYAYEMHN-HNNXBMFYSA-N 2 1 370.513 3.010 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(C)c1 ZINC000751011944 722790529 /nfs/dbraw/zinc/79/05/29/722790529.db2.gz QLPARPXXDDSCRY-LJQANCHMSA-N 2 1 362.587 3.348 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccccc1Cl ZINC000751011280 722790618 /nfs/dbraw/zinc/79/06/18/722790618.db2.gz NOKOXENGNCKSCU-OAHLLOKOSA-N 2 1 368.978 3.385 20 0 FGADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000755047864 722949666 /nfs/dbraw/zinc/94/96/66/722949666.db2.gz KJCUYQNAIQEHHS-MRXNPFEDSA-N 2 1 351.510 3.169 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755047066 722949697 /nfs/dbraw/zinc/94/96/97/722949697.db2.gz DRQDVXXRERREQB-RCCFBDPRSA-N 2 1 353.551 3.344 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3ncc(Br)c3C3CC3)C2)CC1 ZINC000755778991 722956825 /nfs/dbraw/zinc/95/68/25/722956825.db2.gz HGPYLOLEONUJMM-OAHLLOKOSA-N 2 1 367.335 3.144 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3ncc(Br)c3C3CC3)C2)CC1 ZINC000755778991 722956826 /nfs/dbraw/zinc/95/68/26/722956826.db2.gz HGPYLOLEONUJMM-OAHLLOKOSA-N 2 1 367.335 3.144 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000760659835 723076591 /nfs/dbraw/zinc/07/65/91/723076591.db2.gz ZVPVPENEMHNEJP-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000760659835 723076595 /nfs/dbraw/zinc/07/65/95/723076595.db2.gz ZVPVPENEMHNEJP-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000762927764 723293111 /nfs/dbraw/zinc/29/31/11/723293111.db2.gz WBBYPKLYKJGOEI-IAGOWNOFSA-N 2 1 350.507 3.207 20 0 FGADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000762927764 723293114 /nfs/dbraw/zinc/29/31/14/723293114.db2.gz WBBYPKLYKJGOEI-IAGOWNOFSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927018 723293139 /nfs/dbraw/zinc/29/31/39/723293139.db2.gz ZGYMVBPUGACQMY-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927018 723293142 /nfs/dbraw/zinc/29/31/42/723293142.db2.gz ZGYMVBPUGACQMY-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H](O)c2cccs2)[C@@H](C)C1 ZINC000763412001 723341542 /nfs/dbraw/zinc/34/15/42/723341542.db2.gz CMZMTCQOMDMVAM-MHORFTMASA-N 2 1 354.560 3.287 20 0 FGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](Cc2cscn2)CC1 ZINC000765491877 723517482 /nfs/dbraw/zinc/51/74/82/723517482.db2.gz WWLLWHOGMOYCMX-UHFFFAOYSA-N 2 1 354.479 3.412 20 0 FGADMP COc1ccc2c(c1)[nH+]ccc2N1CCC[N@@H+](Cc2cscn2)CC1 ZINC000765491877 723517487 /nfs/dbraw/zinc/51/74/87/723517487.db2.gz WWLLWHOGMOYCMX-UHFFFAOYSA-N 2 1 354.479 3.412 20 0 FGADMP ClC1(Cl)C[C@H]1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381675 723635536 /nfs/dbraw/zinc/63/55/36/723635536.db2.gz FPTTUGPJCDLMNU-ZWKOTPCHSA-N 2 1 368.352 3.072 20 0 FGADMP ClC1(Cl)C[C@H]1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381675 723635538 /nfs/dbraw/zinc/63/55/38/723635538.db2.gz FPTTUGPJCDLMNU-ZWKOTPCHSA-N 2 1 368.352 3.072 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000796707470 723651227 /nfs/dbraw/zinc/65/12/27/723651227.db2.gz OBEIZURVAFQGOC-MHORFTMASA-N 2 1 351.535 3.238 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000769646985 723691331 /nfs/dbraw/zinc/69/13/31/723691331.db2.gz DWUPIJNOKDZGSO-OAHLLOKOSA-N 2 1 350.894 3.080 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000769646985 723691332 /nfs/dbraw/zinc/69/13/32/723691332.db2.gz DWUPIJNOKDZGSO-OAHLLOKOSA-N 2 1 350.894 3.080 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000769661606 723691599 /nfs/dbraw/zinc/69/15/99/723691599.db2.gz WLVKTUZAYJFTQZ-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000769661606 723691601 /nfs/dbraw/zinc/69/16/01/723691601.db2.gz WLVKTUZAYJFTQZ-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc(Cl)n1 ZINC000797601534 723839981 /nfs/dbraw/zinc/83/99/81/723839981.db2.gz VLLQWPZHIUEUFM-IBGZPJMESA-N 2 1 359.901 3.290 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864528 723936419 /nfs/dbraw/zinc/93/64/19/723936419.db2.gz QWNYKIHBPJKFPY-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864528 723936420 /nfs/dbraw/zinc/93/64/20/723936420.db2.gz QWNYKIHBPJKFPY-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864528 723936422 /nfs/dbraw/zinc/93/64/22/723936422.db2.gz QWNYKIHBPJKFPY-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864528 723936423 /nfs/dbraw/zinc/93/64/23/723936423.db2.gz QWNYKIHBPJKFPY-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP COc1ccc(NC(=O)C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000799177304 723995516 /nfs/dbraw/zinc/99/55/16/723995516.db2.gz QATJVSGGOWHJEP-UHFFFAOYSA-N 2 1 365.905 3.095 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621014 724011768 /nfs/dbraw/zinc/01/17/68/724011768.db2.gz GXHMXTGEHRMGDC-XMTFNYHQSA-N 2 1 353.551 3.390 20 0 FGADMP C[N@H+](Cc1cnc(NC(=O)OC(C)(C)C)s1)CC1CC[NH+](C)CC1 ZINC000800508899 724205613 /nfs/dbraw/zinc/20/56/13/724205613.db2.gz GFFWQNDRXBTJIL-UHFFFAOYSA-N 2 1 354.520 3.264 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800970092 724255873 /nfs/dbraw/zinc/25/58/73/724255873.db2.gz XFWHAAODNICJHE-ZTFGCOKTSA-N 2 1 356.432 3.479 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000800970092 724255876 /nfs/dbraw/zinc/25/58/76/724255876.db2.gz XFWHAAODNICJHE-ZTFGCOKTSA-N 2 1 356.432 3.479 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000800970089 724256028 /nfs/dbraw/zinc/25/60/28/724256028.db2.gz XFWHAAODNICJHE-FHLIZLRMSA-N 2 1 356.432 3.479 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000800970089 724256030 /nfs/dbraw/zinc/25/60/30/724256030.db2.gz XFWHAAODNICJHE-FHLIZLRMSA-N 2 1 356.432 3.479 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000778082656 724294635 /nfs/dbraw/zinc/29/46/35/724294635.db2.gz TVXPCDHSYTWEGN-OOKSDGMUSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801574228 724316140 /nfs/dbraw/zinc/31/61/40/724316140.db2.gz PZEIRUGABLYHIK-LJQANCHMSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801574228 724316143 /nfs/dbraw/zinc/31/61/43/724316143.db2.gz PZEIRUGABLYHIK-LJQANCHMSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788249320 725052688 /nfs/dbraw/zinc/05/26/88/725052688.db2.gz TXPSMIJJYXBFMJ-SJORKVTESA-N 2 1 350.507 3.397 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788592212 725074451 /nfs/dbraw/zinc/07/44/51/725074451.db2.gz ATQYPKYYQXXFMS-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929589 727288106 /nfs/dbraw/zinc/28/81/06/727288106.db2.gz QOSTVNUSEBYNAK-FSPWUOQZSA-N 2 1 363.299 3.031 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000818966203 727331654 /nfs/dbraw/zinc/33/16/54/727331654.db2.gz OKDGYCKDHFCHQR-LRDDRELGSA-N 2 1 357.376 3.049 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985702 727334493 /nfs/dbraw/zinc/33/44/93/727334493.db2.gz VDBUDTRUPLHIQU-PBHICJAKSA-N 2 1 360.420 3.329 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085722 727345860 /nfs/dbraw/zinc/34/58/60/727345860.db2.gz WDHHSVWCEJYLAN-FZKQIMNGSA-N 2 1 373.324 3.117 20 0 FGADMP C[C@@H]([NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220383 727359336 /nfs/dbraw/zinc/35/93/36/727359336.db2.gz NKUYDHSQIXIJQN-SJKOYZFVSA-N 2 1 371.294 3.036 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1ccc(Cl)cc1 ZINC000871785000 735545705 /nfs/dbraw/zinc/54/57/05/735545705.db2.gz DIPNPTWJJAIJJJ-OKSWLAIDSA-N 2 1 364.877 3.038 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1ccc(Cl)cc1 ZINC000871785000 735545707 /nfs/dbraw/zinc/54/57/07/735545707.db2.gz DIPNPTWJJAIJJJ-OKSWLAIDSA-N 2 1 364.877 3.038 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104018 729424423 /nfs/dbraw/zinc/42/44/23/729424423.db2.gz UHWNERIQLPKQDS-PBHICJAKSA-N 2 1 366.937 3.062 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049290 729439184 /nfs/dbraw/zinc/43/91/84/729439184.db2.gz QPIFBAHEGVMNIG-IRXDYDNUSA-N 2 1 366.937 3.204 20 0 FGADMP C[N@H+](CC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000840397571 730142185 /nfs/dbraw/zinc/14/21/85/730142185.db2.gz XWFKIXXGOIKSNB-IBGZPJMESA-N 2 1 362.539 3.153 20 0 FGADMP C[N@@H+](CC(=O)OCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000840397571 730142190 /nfs/dbraw/zinc/14/21/90/730142190.db2.gz XWFKIXXGOIKSNB-IBGZPJMESA-N 2 1 362.539 3.153 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843058980 730575094 /nfs/dbraw/zinc/57/50/94/730575094.db2.gz BDKHQAJVCSKSJY-WDSOQIARSA-N 2 1 358.917 3.452 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000843058980 730575095 /nfs/dbraw/zinc/57/50/95/730575095.db2.gz BDKHQAJVCSKSJY-WDSOQIARSA-N 2 1 358.917 3.452 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC12CCOCC2 ZINC000843124431 730588262 /nfs/dbraw/zinc/58/82/62/730588262.db2.gz AUHVCQRYQLTAOX-AWEZNQCLSA-N 2 1 360.445 3.486 20 0 FGADMP O=C1[C@@H]([N@@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)cc1Cl ZINC000843364607 730611097 /nfs/dbraw/zinc/61/10/97/730611097.db2.gz LETPJRVAZNUFTD-INIZCTEOSA-N 2 1 368.308 3.174 20 0 FGADMP O=C1[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)cc1Cl ZINC000843364607 730611100 /nfs/dbraw/zinc/61/11/00/730611100.db2.gz LETPJRVAZNUFTD-INIZCTEOSA-N 2 1 368.308 3.174 20 0 FGADMP C[N@@H+](Cc1csc(CC(=O)Nc2ccccc2)n1)C1CCC([NH3+])CC1 ZINC000844220533 730693148 /nfs/dbraw/zinc/69/31/48/730693148.db2.gz HDOCTCQZGGIRBT-UHFFFAOYSA-N 2 1 358.511 3.026 20 0 FGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844901393 730787055 /nfs/dbraw/zinc/78/70/55/730787055.db2.gz DVTQDVFZYNJQAA-JZXOWHBKSA-N 2 1 368.953 3.363 20 0 FGADMP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000845923503 730909682 /nfs/dbraw/zinc/90/96/82/730909682.db2.gz RLXJZKIGRKCNMO-VEZWFGLTSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000845923503 730909683 /nfs/dbraw/zinc/90/96/83/730909683.db2.gz RLXJZKIGRKCNMO-VEZWFGLTSA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000850381998 731350587 /nfs/dbraw/zinc/35/05/87/731350587.db2.gz MOYBILJDHCSSAP-SFHVURJKSA-N 2 1 351.535 3.240 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000850381998 731350589 /nfs/dbraw/zinc/35/05/89/731350589.db2.gz MOYBILJDHCSSAP-SFHVURJKSA-N 2 1 351.535 3.240 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000850395738 731351778 /nfs/dbraw/zinc/35/17/78/731351778.db2.gz BYQQCWVTSWNDOS-KRWDZBQOSA-N 2 1 353.304 3.100 20 0 FGADMP O=[S@@](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495544 731363885 /nfs/dbraw/zinc/36/38/85/731363885.db2.gz FRKOYNYKLPLNIP-YUOFKWFOSA-N 2 1 374.472 3.083 20 0 FGADMP O=[S@@](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495544 731363889 /nfs/dbraw/zinc/36/38/89/731363889.db2.gz FRKOYNYKLPLNIP-YUOFKWFOSA-N 2 1 374.472 3.083 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[C@H]3SCCS[C@@H]23)cc1 ZINC000854225035 731805970 /nfs/dbraw/zinc/80/59/70/731805970.db2.gz VFRLDIHXZUHUQK-RZFLPCETSA-N 2 1 352.544 3.240 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C)nc3Cl)CC2)cs1 ZINC000856771088 732057607 /nfs/dbraw/zinc/05/76/07/732057607.db2.gz YXDAYOBOTSIINA-UHFFFAOYSA-N 2 1 367.950 3.094 20 0 FGADMP Cc1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)c(Br)cc1F ZINC000858096524 732180056 /nfs/dbraw/zinc/18/00/56/732180056.db2.gz GKWFCMNKAKQHLW-UHFFFAOYSA-N 2 1 372.326 3.014 20 0 FGADMP CSc1ccc(/C=C\C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000858726172 732241626 /nfs/dbraw/zinc/24/16/26/732241626.db2.gz YXHOFSKKRADRPI-HYXAFXHYSA-N 2 1 374.535 3.269 20 0 FGADMP CC(C)CCOC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000859054017 732271828 /nfs/dbraw/zinc/27/18/28/732271828.db2.gz ITZWURQXFPTIMW-UHFFFAOYSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215190 732291138 /nfs/dbraw/zinc/29/11/38/732291138.db2.gz XYYXHWYPPJJCDP-AWEZNQCLSA-N 2 1 360.889 3.256 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215190 732291143 /nfs/dbraw/zinc/29/11/43/732291143.db2.gz XYYXHWYPPJJCDP-AWEZNQCLSA-N 2 1 360.889 3.256 20 0 FGADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CC(F)(F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000862388970 732821937 /nfs/dbraw/zinc/82/19/37/732821937.db2.gz MZQGXRVIVJLIAG-HNNXBMFYSA-N 2 1 361.477 3.095 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482247 732840214 /nfs/dbraw/zinc/84/02/14/732840214.db2.gz FVKKEYPLSYVKHJ-SQNIBIBYSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000865414324 733194113 /nfs/dbraw/zinc/19/41/13/733194113.db2.gz BFUFIZWVXLZJNF-BFHYXJOUSA-N 2 1 365.440 3.049 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000865414324 733194116 /nfs/dbraw/zinc/19/41/16/733194116.db2.gz BFUFIZWVXLZJNF-BFHYXJOUSA-N 2 1 365.440 3.049 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436132 733201206 /nfs/dbraw/zinc/20/12/06/733201206.db2.gz UWKPLGWFYVZQEK-KBPBESRZSA-N 2 1 367.456 3.152 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000865554975 733226206 /nfs/dbraw/zinc/22/62/06/733226206.db2.gz SEBPBKRUUJVYTR-HXUWFJFHSA-N 2 1 359.539 3.334 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000865554975 733226213 /nfs/dbraw/zinc/22/62/13/733226213.db2.gz SEBPBKRUUJVYTR-HXUWFJFHSA-N 2 1 359.539 3.334 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866230737 733326759 /nfs/dbraw/zinc/32/67/59/733326759.db2.gz APQWSFQAQSQZDA-CQSZACIVSA-N 2 1 350.894 3.159 20 0 FGADMP C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000866562948 733366315 /nfs/dbraw/zinc/36/63/15/733366315.db2.gz GWBOTDJZOLNZGM-CYBMUJFWSA-N 2 1 352.429 3.149 20 0 FGADMP C[N@H+]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CCC1(C)C ZINC000868168800 733567512 /nfs/dbraw/zinc/56/75/12/733567512.db2.gz ZZKHWMBNOZTRCQ-UHFFFAOYSA-N 2 1 358.408 3.112 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151814 735596526 /nfs/dbraw/zinc/59/65/26/735596526.db2.gz XTTCGBLPUYMGJW-DGCLKSJQSA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151814 735596528 /nfs/dbraw/zinc/59/65/28/735596528.db2.gz XTTCGBLPUYMGJW-DGCLKSJQSA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151813 735596563 /nfs/dbraw/zinc/59/65/63/735596563.db2.gz XTTCGBLPUYMGJW-AAEUAGOBSA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151813 735596564 /nfs/dbraw/zinc/59/65/64/735596564.db2.gz XTTCGBLPUYMGJW-AAEUAGOBSA-N 2 1 356.310 3.197 20 0 FGADMP CCCOc1c(Cl)cc(C[NH2+]C2(CCOC)CC[NH2+]CC2)cc1OC ZINC000873222743 735739768 /nfs/dbraw/zinc/73/97/68/735739768.db2.gz DUSMWULFUBXTGB-UHFFFAOYSA-N 2 1 370.921 3.386 20 0 FGADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231770 735740888 /nfs/dbraw/zinc/74/08/88/735740888.db2.gz DCCZCTPOWPYDBM-YJBOKZPZSA-N 2 1 350.576 3.324 20 0 FGADMP COCC[N@H+](Cc1nc2ccc(OC)cc2s1)CC1CC[NH+](C)CC1 ZINC000877664089 736701400 /nfs/dbraw/zinc/70/14/00/736701400.db2.gz GWUJNYIXYWNVLN-UHFFFAOYSA-N 2 1 363.527 3.095 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743213 736713143 /nfs/dbraw/zinc/71/31/43/736713143.db2.gz ULYDCTBXBXJTTP-TVFCKZIOSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743213 736713147 /nfs/dbraw/zinc/71/31/47/736713147.db2.gz ULYDCTBXBXJTTP-TVFCKZIOSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@H](CC[N@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743213 736713150 /nfs/dbraw/zinc/71/31/50/736713150.db2.gz ULYDCTBXBXJTTP-TVFCKZIOSA-N 2 1 351.535 3.048 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC000883434752 737566394 /nfs/dbraw/zinc/56/63/94/737566394.db2.gz ZVGGMIIYLCPKDH-NUJGCVRESA-N 2 1 367.331 3.210 20 0 FGADMP C[NH+](C)[C@]1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536500 739265624 /nfs/dbraw/zinc/26/56/24/739265624.db2.gz IYGUISALVYFKRI-TUFLPTIASA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536500 739265627 /nfs/dbraw/zinc/26/56/27/739265627.db2.gz IYGUISALVYFKRI-TUFLPTIASA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536500 739265632 /nfs/dbraw/zinc/26/56/32/739265632.db2.gz IYGUISALVYFKRI-TUFLPTIASA-N 2 1 359.583 3.066 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000892516873 740011238 /nfs/dbraw/zinc/01/12/38/740011238.db2.gz QBKPOVNMTUJXFN-RRFJBIMHSA-N 2 1 352.441 3.217 20 0 FGADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737784 740038884 /nfs/dbraw/zinc/03/88/84/740038884.db2.gz KRISXJHTQHYMCQ-KBAYOESNSA-N 2 1 368.518 3.183 20 0 FGADMP F[C@@H]1CC2(CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737784 740038890 /nfs/dbraw/zinc/03/88/90/740038890.db2.gz KRISXJHTQHYMCQ-KBAYOESNSA-N 2 1 368.518 3.183 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC000895587365 742429962 /nfs/dbraw/zinc/42/99/62/742429962.db2.gz QBJJSHZDJLZRPY-CAOSSQGBSA-N 2 1 364.452 3.218 20 0 FGADMP C[C@@H](C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000895682481 742439284 /nfs/dbraw/zinc/43/92/84/742439284.db2.gz FBBDLTKEZXMHPA-SFHVURJKSA-N 2 1 366.571 3.392 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cc(Cl)cc2c1OCC2 ZINC000897338683 742670062 /nfs/dbraw/zinc/67/00/62/742670062.db2.gz WGLXNXHPVYYMQY-ZDUSSCGKSA-N 2 1 352.906 3.161 20 0 FGADMP C([NH2+][C@H]1CCC[C@@H](C2CCOCC2)C1)C1([NH+]2CCCC2)CCOCC1 ZINC000902792831 743775781 /nfs/dbraw/zinc/77/57/81/743775781.db2.gz DNUHWHXLAHZVEU-UXHICEINSA-N 2 1 350.547 3.206 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c1OC ZINC000903496778 743856347 /nfs/dbraw/zinc/85/63/47/743856347.db2.gz CVBFNSMAXXOQRU-ZIAGYGMSSA-N 2 1 361.511 3.244 20 0 FGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903757109 743881023 /nfs/dbraw/zinc/88/10/23/743881023.db2.gz XWZDTNMAKURIJS-HLIPFELVSA-N 2 1 364.917 3.199 20 0 FGADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000904406182 743952742 /nfs/dbraw/zinc/95/27/42/743952742.db2.gz SYUCVGMUFUJOAS-AWEZNQCLSA-N 2 1 362.474 3.138 20 0 FGADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1)c1ccc(F)cc1 ZINC000904406182 743952745 /nfs/dbraw/zinc/95/27/45/743952745.db2.gz SYUCVGMUFUJOAS-AWEZNQCLSA-N 2 1 362.474 3.138 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000918122720 758305846 /nfs/dbraw/zinc/30/58/46/758305846.db2.gz VLGLFDXIZFVFQM-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000921815945 758802284 /nfs/dbraw/zinc/80/22/84/758802284.db2.gz COWKUYAQPKMLOW-UHFFFAOYSA-N 2 1 359.901 3.290 20 0 FGADMP CSCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000922239920 758877409 /nfs/dbraw/zinc/87/74/09/758877409.db2.gz LRPZLPSEYCRMPV-OAQYLSRUSA-N 2 1 356.535 3.406 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389303 758910009 /nfs/dbraw/zinc/91/00/09/758910009.db2.gz IPXJNQSUEAXXNG-BCXHYRKLSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394727 758913708 /nfs/dbraw/zinc/91/37/08/758913708.db2.gz SERXVTCKJTVSEF-MTNOOBJLSA-N 2 1 351.560 3.226 20 0 FGADMP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc(Nc3ccccc3)n1)CC2 ZINC000923453023 759120696 /nfs/dbraw/zinc/12/06/96/759120696.db2.gz YDLBCALNVGNIEX-QGZVFWFLSA-N 2 1 358.511 3.217 20 0 FGADMP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccsc1 ZINC000924657573 759368808 /nfs/dbraw/zinc/36/88/08/759368808.db2.gz HYEMOMGDNHUTKX-RAFMOHDBSA-N 2 1 365.587 3.362 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CCCC2)CC1 ZINC000925000288 759430400 /nfs/dbraw/zinc/43/04/00/759430400.db2.gz SUIZRCIBVWIODA-UYAOXDASSA-N 2 1 350.547 3.205 20 0 FGADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784473 759538125 /nfs/dbraw/zinc/53/81/25/759538125.db2.gz SBJUQDNILHAYIX-OTYXRUKQSA-N 2 1 363.221 3.410 20 0 FGADMP CC(C)CC[NH+]1CCC([NH2+]Cc2ccnc(N3CCSCC3)c2)CC1 ZINC000926790077 759822368 /nfs/dbraw/zinc/82/23/68/759822368.db2.gz GACFSDLIRUSXFJ-UHFFFAOYSA-N 2 1 362.587 3.235 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000935145208 761801159 /nfs/dbraw/zinc/80/11/59/761801159.db2.gz BVGCUGPOWHQQBY-RDTXWAMCSA-N 2 1 369.912 3.366 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000961856015 762753469 /nfs/dbraw/zinc/75/34/69/762753469.db2.gz DYPJPCQREATCLS-VKJZCYHPSA-N 2 1 369.962 3.116 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2CCC(F)(F)F)CC[N@H+]1C ZINC000968867167 762843604 /nfs/dbraw/zinc/84/36/04/762843604.db2.gz SRDFRMSURKBWBI-OWCLPIDISA-N 2 1 363.468 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(F)(F)F)CC[NH+]1C ZINC000968867167 762843613 /nfs/dbraw/zinc/84/36/13/762843613.db2.gz SRDFRMSURKBWBI-OWCLPIDISA-N 2 1 363.468 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2CCC(F)(F)F)CC[NH+]1C ZINC000968867167 762843622 /nfs/dbraw/zinc/84/36/22/762843622.db2.gz SRDFRMSURKBWBI-OWCLPIDISA-N 2 1 363.468 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000997597402 765069362 /nfs/dbraw/zinc/06/93/62/765069362.db2.gz VQPKTQOAYOOHFC-YTQUADARSA-N 2 1 351.579 3.370 20 0 FGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002852366 765347991 /nfs/dbraw/zinc/34/79/91/765347991.db2.gz OJEMDZBNJVUZEZ-SPYBWZPUSA-N 2 1 363.933 3.322 20 0 FGADMP Cc1ccc(CN2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376779 765590833 /nfs/dbraw/zinc/59/08/33/765590833.db2.gz NMKXUYYIWMSQAK-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376779 765590837 /nfs/dbraw/zinc/59/08/37/765590837.db2.gz NMKXUYYIWMSQAK-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376779 765590841 /nfs/dbraw/zinc/59/08/41/765590841.db2.gz NMKXUYYIWMSQAK-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376779 765590846 /nfs/dbraw/zinc/59/08/46/765590846.db2.gz NMKXUYYIWMSQAK-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001007376779 765590849 /nfs/dbraw/zinc/59/08/49/765590849.db2.gz NMKXUYYIWMSQAK-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001023993770 766047815 /nfs/dbraw/zinc/04/78/15/766047815.db2.gz PHGPYYZSIXTNFE-JFIYKMOQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001026496128 766074910 /nfs/dbraw/zinc/07/49/10/766074910.db2.gz MNKNOEOGAJYCOX-UWLZSVRSSA-N 2 1 369.962 3.259 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CC[NH+](C/C=C\Cl)CC3)C2)CC[N@H+]1C ZINC001047243193 766632652 /nfs/dbraw/zinc/63/26/52/766632652.db2.gz XLTMUDFBSUNZER-WHBMQHHPSA-N 2 1 367.965 3.030 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C12CCC2 ZINC000376168588 257449894 /nfs/dbraw/zinc/44/98/94/257449894.db2.gz XLQDJWUOHLCIFI-NHCUHLMSSA-N 3 1 363.590 3.120 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000376627860 257489871 /nfs/dbraw/zinc/48/98/71/257489871.db2.gz LXTHKGREQQBNDF-XNMUZJSGSA-N 2 1 364.578 3.154 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)CC(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000359904148 132375573 /nfs/dbraw/zinc/37/55/73/132375573.db2.gz UAZLVSBIVOUQAM-QGZVFWFLSA-N 2 1 352.482 3.366 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C[C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746173 505609634 /nfs/dbraw/zinc/60/96/34/505609634.db2.gz PSJKFYPVVHFULD-PMACEKPBSA-N 2 1 360.567 3.258 20 0 FGADMP Cc1cccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)N2CCOCC2)c1 ZINC000573911861 505648926 /nfs/dbraw/zinc/64/89/26/505648926.db2.gz XDJPBYULECTZSD-FSSWDIPSSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000577151149 505673512 /nfs/dbraw/zinc/67/35/12/505673512.db2.gz RNYIZJNZMBQECE-FXAWDEMLSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000577151149 505673515 /nfs/dbraw/zinc/67/35/15/505673515.db2.gz RNYIZJNZMBQECE-FXAWDEMLSA-N 2 1 372.557 3.257 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047968486 493767066 /nfs/dbraw/zinc/76/70/66/493767066.db2.gz IYDBHXUGUUTDDD-SFHVURJKSA-N 2 1 357.542 3.234 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000047978700 493768438 /nfs/dbraw/zinc/76/84/38/493768438.db2.gz XIFUDSMTKBGEQH-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000047978711 493769697 /nfs/dbraw/zinc/76/96/97/493769697.db2.gz SHGPYYQLPFFLDE-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571210764 505680481 /nfs/dbraw/zinc/68/04/81/505680481.db2.gz WICCBRXSQQDTDJ-AVRDEDQJSA-N 2 1 370.541 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860578 493787501 /nfs/dbraw/zinc/78/75/01/493787501.db2.gz DSLAFSALSJKZPC-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860578 493787502 /nfs/dbraw/zinc/78/75/02/493787502.db2.gz DSLAFSALSJKZPC-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860578 493787504 /nfs/dbraw/zinc/78/75/04/493787504.db2.gz DSLAFSALSJKZPC-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2nc(C)c(C)s2)CC1 ZINC000057847573 493808711 /nfs/dbraw/zinc/80/87/11/493808711.db2.gz DJHXDKROMVZIDN-CQSZACIVSA-N 2 1 352.548 3.141 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)c2cc1C ZINC000568384029 505681910 /nfs/dbraw/zinc/68/19/10/505681910.db2.gz SQSSIVWUASSDPV-PMACEKPBSA-N 2 1 372.557 3.258 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000568388226 505682611 /nfs/dbraw/zinc/68/26/11/505682611.db2.gz KZPOWTMSLDIGHF-GOSISDBHSA-N 2 1 370.541 3.095 20 0 FGADMP C[N@@H+](C[C@H](O)COCc1cccs1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109692 493825207 /nfs/dbraw/zinc/82/52/07/493825207.db2.gz WYFVWMYFQLIMEY-PMACEKPBSA-N 2 1 374.550 3.080 20 0 FGADMP C[NH+](C[C@H](O)COCc1cccs1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109692 493825212 /nfs/dbraw/zinc/82/52/12/493825212.db2.gz WYFVWMYFQLIMEY-PMACEKPBSA-N 2 1 374.550 3.080 20 0 FGADMP C[NH+](C[C@H](O)COCc1cccs1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109692 493825217 /nfs/dbraw/zinc/82/52/17/493825217.db2.gz WYFVWMYFQLIMEY-PMACEKPBSA-N 2 1 374.550 3.080 20 0 FGADMP C[N@@H+](C[C@H](O)COCc1cccs1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109693 493825369 /nfs/dbraw/zinc/82/53/69/493825369.db2.gz WYFVWMYFQLIMEY-UXHICEINSA-N 2 1 374.550 3.080 20 0 FGADMP C[NH+](C[C@H](O)COCc1cccs1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109693 493825375 /nfs/dbraw/zinc/82/53/75/493825375.db2.gz WYFVWMYFQLIMEY-UXHICEINSA-N 2 1 374.550 3.080 20 0 FGADMP C[NH+](C[C@H](O)COCc1cccs1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109693 493825379 /nfs/dbraw/zinc/82/53/79/493825379.db2.gz WYFVWMYFQLIMEY-UXHICEINSA-N 2 1 374.550 3.080 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000068636292 493849159 /nfs/dbraw/zinc/84/91/59/493849159.db2.gz MVEQRNTYWLNQCU-RTBURBONSA-N 2 1 372.557 3.060 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000030909950 493913473 /nfs/dbraw/zinc/91/34/73/493913473.db2.gz DKBZQWGGJNKRBY-UHFFFAOYSA-N 2 1 351.494 3.442 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081565756 493917796 /nfs/dbraw/zinc/91/77/96/493917796.db2.gz QJRRGYKKJRSLEZ-FXAWDEMLSA-N 2 1 363.521 3.417 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081565756 493917800 /nfs/dbraw/zinc/91/78/00/493917800.db2.gz QJRRGYKKJRSLEZ-FXAWDEMLSA-N 2 1 363.521 3.417 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000060955693 493960978 /nfs/dbraw/zinc/96/09/78/493960978.db2.gz CYAYFOPWHXOJRM-HXUWFJFHSA-N 2 1 360.546 3.069 20 0 FGADMP COCC[N@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000069679542 493996438 /nfs/dbraw/zinc/99/64/38/493996438.db2.gz ZSPKJGXJHWGKSN-UHFFFAOYSA-N 2 1 364.921 3.200 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000069679542 493996443 /nfs/dbraw/zinc/99/64/43/493996443.db2.gz ZSPKJGXJHWGKSN-UHFFFAOYSA-N 2 1 364.921 3.200 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000571277730 505696280 /nfs/dbraw/zinc/69/62/80/505696280.db2.gz RYGMWZFEPREXJC-OAHLLOKOSA-N 2 1 372.296 3.308 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CC2CCCC2)CC1 ZINC000064021594 494102203 /nfs/dbraw/zinc/10/22/03/494102203.db2.gz RWOHQHTVAZPFRN-UHFFFAOYSA-N 2 1 357.542 3.198 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000064739232 494145842 /nfs/dbraw/zinc/14/58/42/494145842.db2.gz CWVZDAKCTPZHAK-QFIPXVFZSA-N 2 1 371.569 3.477 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000064739232 494145846 /nfs/dbraw/zinc/14/58/46/494145846.db2.gz CWVZDAKCTPZHAK-QFIPXVFZSA-N 2 1 371.569 3.477 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000064739232 494145852 /nfs/dbraw/zinc/14/58/52/494145852.db2.gz CWVZDAKCTPZHAK-QFIPXVFZSA-N 2 1 371.569 3.477 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000086365118 494150414 /nfs/dbraw/zinc/15/04/14/494150414.db2.gz VZSPNDLGOVWHSX-DLBZAZTESA-N 2 1 369.513 3.415 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000077780501 494175935 /nfs/dbraw/zinc/17/59/35/494175935.db2.gz XJELSTSHGXOUNL-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072600164 494214858 /nfs/dbraw/zinc/21/48/58/494214858.db2.gz GWDQREPAGCUQIF-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000073036013 494309849 /nfs/dbraw/zinc/30/98/49/494309849.db2.gz CWEJQBUTBFFWTC-QGZVFWFLSA-N 2 1 372.557 3.233 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)c(Cl)c1 ZINC000568512188 505712813 /nfs/dbraw/zinc/71/28/13/505712813.db2.gz OEJJBUNDUVWMCU-AEGPPILISA-N 2 1 370.324 3.102 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677694 494412274 /nfs/dbraw/zinc/41/22/74/494412274.db2.gz PUABNNMMRCUNLF-ZCNNSNEGSA-N 2 1 366.594 3.118 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677694 494412277 /nfs/dbraw/zinc/41/22/77/494412277.db2.gz PUABNNMMRCUNLF-ZCNNSNEGSA-N 2 1 366.594 3.118 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677694 494412282 /nfs/dbraw/zinc/41/22/82/494412282.db2.gz PUABNNMMRCUNLF-ZCNNSNEGSA-N 2 1 366.594 3.118 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082476 494438511 /nfs/dbraw/zinc/43/85/11/494438511.db2.gz NFGYMHNZSRUJIQ-UHIISALHSA-N 2 1 365.827 3.451 20 0 FGADMP C[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000073988929 494461669 /nfs/dbraw/zinc/46/16/69/494461669.db2.gz LDRXNVJRZRBUEP-BWAGFHJFSA-N 2 1 369.553 3.025 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000067062778 494466918 /nfs/dbraw/zinc/46/69/18/494466918.db2.gz XDTHYHROVXWWMR-SFHVURJKSA-N 2 1 360.546 3.012 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1F ZINC000090523334 494478010 /nfs/dbraw/zinc/47/80/10/494478010.db2.gz KGAXXMWJYNOUGM-JVPBZIDWSA-N 2 1 350.478 3.253 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000067121539 494479041 /nfs/dbraw/zinc/47/90/41/494479041.db2.gz PMNBDSZEHYRUAE-UHFFFAOYSA-N 2 1 361.864 3.059 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319173 494516898 /nfs/dbraw/zinc/51/68/98/494516898.db2.gz QSNHFHDSSUWPAP-FPOVZHCZSA-N 2 1 357.542 3.260 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000079814098 494529628 /nfs/dbraw/zinc/52/96/28/494529628.db2.gz OGYCVUJPXXZLDY-UHFFFAOYSA-N 2 1 369.484 3.170 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000079814098 494529631 /nfs/dbraw/zinc/52/96/31/494529631.db2.gz OGYCVUJPXXZLDY-UHFFFAOYSA-N 2 1 369.484 3.170 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000079911025 494548594 /nfs/dbraw/zinc/54/85/94/494548594.db2.gz SZOPWTYTGVUAGT-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCCSC2)c1)C1CCOCC1 ZINC000131374368 494598094 /nfs/dbraw/zinc/59/80/94/494598094.db2.gz GZIQITHGDQSYGQ-SFHVURJKSA-N 2 1 364.555 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000080150973 494614951 /nfs/dbraw/zinc/61/49/51/494614951.db2.gz DSOFGZVYSFXBQF-UHFFFAOYSA-N 2 1 363.550 3.029 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080166885 494621230 /nfs/dbraw/zinc/62/12/30/494621230.db2.gz HNGNQYSISDRFTB-RXVVDRJESA-N 2 1 372.557 3.212 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321975 505732288 /nfs/dbraw/zinc/73/22/88/505732288.db2.gz KZKQFCMXZHGGRN-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580321975 505732292 /nfs/dbraw/zinc/73/22/92/505732292.db2.gz KZKQFCMXZHGGRN-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580321975 505732296 /nfs/dbraw/zinc/73/22/96/505732296.db2.gz KZKQFCMXZHGGRN-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177566 494669669 /nfs/dbraw/zinc/66/96/69/494669669.db2.gz OFLACAWGSNWYRJ-RTWAWAEBSA-N 2 1 369.484 3.209 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3cccnc3)C2)CC1 ZINC000092587696 494676847 /nfs/dbraw/zinc/67/68/47/494676847.db2.gz COYRLFSBMYEQPB-LJQANCHMSA-N 2 1 367.541 3.426 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3cccnc3)C2)CC1 ZINC000092587696 494676854 /nfs/dbraw/zinc/67/68/54/494676854.db2.gz COYRLFSBMYEQPB-LJQANCHMSA-N 2 1 367.541 3.426 20 0 FGADMP CC(=O)Nc1ccccc1C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092645076 494693210 /nfs/dbraw/zinc/69/32/10/494693210.db2.gz IBEIJBQUILWUQA-UHFFFAOYSA-N 2 1 367.497 3.153 20 0 FGADMP CC(=O)Nc1ccccc1C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092645076 494693215 /nfs/dbraw/zinc/69/32/15/494693215.db2.gz IBEIJBQUILWUQA-UHFFFAOYSA-N 2 1 367.497 3.153 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121313046 494695715 /nfs/dbraw/zinc/69/57/15/494695715.db2.gz ONJNZPJICVXLMZ-JOCHJYFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000057279814 494702083 /nfs/dbraw/zinc/70/20/83/494702083.db2.gz SQNKZZSLGURNSI-SEJPIABJSA-N 2 1 372.557 3.200 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108427907 494705914 /nfs/dbraw/zinc/70/59/14/494705914.db2.gz POUNCXHSRILHSE-KRWDZBQOSA-N 2 1 355.482 3.101 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000108427907 494705920 /nfs/dbraw/zinc/70/59/20/494705920.db2.gz POUNCXHSRILHSE-KRWDZBQOSA-N 2 1 355.482 3.101 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000080653250 494753395 /nfs/dbraw/zinc/75/33/95/494753395.db2.gz NOEPPGPIVMTWBP-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000080653250 494753405 /nfs/dbraw/zinc/75/34/05/494753405.db2.gz NOEPPGPIVMTWBP-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000568627988 505740293 /nfs/dbraw/zinc/74/02/93/505740293.db2.gz JPDCMIXAIXAFSC-HZPDHXFCSA-N 2 1 364.559 3.483 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000116551184 494813166 /nfs/dbraw/zinc/81/31/66/494813166.db2.gz MKCBETNCGFGHOH-GOSISDBHSA-N 2 1 360.546 3.243 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093088758 494824780 /nfs/dbraw/zinc/82/47/80/494824780.db2.gz JLECZQBXTKMUSZ-UHFFFAOYSA-N 2 1 369.509 3.443 20 0 FGADMP COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000121644945 494829601 /nfs/dbraw/zinc/82/96/01/494829601.db2.gz SQZNLJVFRBDNST-KRWDZBQOSA-N 2 1 363.546 3.159 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000132498593 494883835 /nfs/dbraw/zinc/88/38/35/494883835.db2.gz QKFBPMHDAZNUSK-JOCHJYFZSA-N 2 1 371.569 3.479 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000127291960 494923076 /nfs/dbraw/zinc/92/30/76/494923076.db2.gz PEIPOFNZBMHUIU-FXAWDEMLSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000132922768 494943936 /nfs/dbraw/zinc/94/39/36/494943936.db2.gz MXHZHCYXUKVXRL-CABCVRRESA-N 2 1 354.441 3.440 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C2CCN(C3CC3)CC2)o1 ZINC000132928574 494944631 /nfs/dbraw/zinc/94/46/31/494944631.db2.gz YLWPFGQHLSGKRG-UHFFFAOYSA-N 2 1 354.450 3.450 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231091 495051118 /nfs/dbraw/zinc/05/11/18/495051118.db2.gz DAQCYBCKODUSNJ-FUHWJXTLSA-N 2 1 367.484 3.451 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231091 495051122 /nfs/dbraw/zinc/05/11/22/495051122.db2.gz DAQCYBCKODUSNJ-FUHWJXTLSA-N 2 1 367.484 3.451 20 0 FGADMP OCC[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH+]1CCCC[C@H]1CCO ZINC000111240082 495052848 /nfs/dbraw/zinc/05/28/48/495052848.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000111240082 495052850 /nfs/dbraw/zinc/05/28/50/495052850.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000111240082 495052853 /nfs/dbraw/zinc/05/28/53/495052853.db2.gz VPKUJKDCPNBYPV-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310344 495077211 /nfs/dbraw/zinc/07/72/11/495077211.db2.gz GVVDWLJPAYHHAP-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000111505145 495083369 /nfs/dbraw/zinc/08/33/69/495083369.db2.gz ZHLZNQIFFKUGKY-FUHWJXTLSA-N 2 1 374.554 3.171 20 0 FGADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580456876 505764017 /nfs/dbraw/zinc/76/40/17/505764017.db2.gz VELLSTLXDQTJEL-HNNXBMFYSA-N 2 1 364.559 3.258 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000128788459 495150670 /nfs/dbraw/zinc/15/06/70/495150670.db2.gz BEIWNJPERQNACH-LJQANCHMSA-N 2 1 370.497 3.392 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000128788459 495150672 /nfs/dbraw/zinc/15/06/72/495150672.db2.gz BEIWNJPERQNACH-LJQANCHMSA-N 2 1 370.497 3.392 20 0 FGADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112357679 495179791 /nfs/dbraw/zinc/17/97/91/495179791.db2.gz LDOBAPZQHSEVRO-JOCHJYFZSA-N 2 1 357.542 3.367 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112406351 495185570 /nfs/dbraw/zinc/18/55/70/495185570.db2.gz JGSSYWCRSIULNH-FQEVSTJZSA-N 2 1 361.505 3.375 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112406351 495185573 /nfs/dbraw/zinc/18/55/73/495185573.db2.gz JGSSYWCRSIULNH-FQEVSTJZSA-N 2 1 361.505 3.375 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3Cc4ccccc4O3)CC2)cc1 ZINC000123836456 495193680 /nfs/dbraw/zinc/19/36/80/495193680.db2.gz KGMQLWRTKHVKRY-OAQYLSRUSA-N 2 1 354.469 3.426 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000103142841 495198584 /nfs/dbraw/zinc/19/85/84/495198584.db2.gz UDHIEPRISLMLSC-NRFANRHFSA-N 2 1 369.484 3.196 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000103142841 495198586 /nfs/dbraw/zinc/19/85/86/495198586.db2.gz UDHIEPRISLMLSC-NRFANRHFSA-N 2 1 369.484 3.196 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000103142841 495198589 /nfs/dbraw/zinc/19/85/89/495198589.db2.gz UDHIEPRISLMLSC-NRFANRHFSA-N 2 1 369.484 3.196 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129457393 495248243 /nfs/dbraw/zinc/24/82/43/495248243.db2.gz JGEAGJZDMFYEKC-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000104343589 495278502 /nfs/dbraw/zinc/27/85/02/495278502.db2.gz KXBSXTJDZSPIMJ-LJQANCHMSA-N 2 1 361.555 3.091 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](C)C2)c1 ZINC000135427252 495290788 /nfs/dbraw/zinc/29/07/88/495290788.db2.gz FCWVBQFTHMFNQO-OAQYLSRUSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000135427252 495290789 /nfs/dbraw/zinc/29/07/89/495290789.db2.gz FCWVBQFTHMFNQO-OAQYLSRUSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000135427252 495290792 /nfs/dbraw/zinc/29/07/92/495290792.db2.gz FCWVBQFTHMFNQO-OAQYLSRUSA-N 2 1 374.573 3.450 20 0 FGADMP O=C(C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000104676294 495296887 /nfs/dbraw/zinc/29/68/87/495296887.db2.gz VJSSWPOAXFZJDV-JOCHJYFZSA-N 2 1 367.537 3.271 20 0 FGADMP CC1CCC(N(C(=O)CN2CC[C@H](C)[C@H](n3ccnc3)C2)C2CC2)CC1 ZINC000129835589 495302536 /nfs/dbraw/zinc/30/25/36/495302536.db2.gz XJGPPHNWXLTFFZ-PAQOUXTFSA-N 2 1 358.530 3.336 20 0 FGADMP O=C(C[N@H+]1CCCCC[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000120315158 495350434 /nfs/dbraw/zinc/35/04/34/495350434.db2.gz BCSJQOSIDALWFS-OAQYLSRUSA-N 2 1 355.526 3.347 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000114475645 495380378 /nfs/dbraw/zinc/38/03/78/495380378.db2.gz POVWTEUFOOCSFI-KRWDZBQOSA-N 2 1 363.550 3.235 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000114475645 495380382 /nfs/dbraw/zinc/38/03/82/495380382.db2.gz POVWTEUFOOCSFI-KRWDZBQOSA-N 2 1 363.550 3.235 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000125409535 495440210 /nfs/dbraw/zinc/44/02/10/495440210.db2.gz RFTMEXBLIQFFGY-WYNBGMTASA-N 2 1 372.557 3.069 20 0 FGADMP CCN(CC)[C@@H](C(=O)N1CC[C@H](Oc2ccncc2)C1)c1ccccc1 ZINC000120710152 495440532 /nfs/dbraw/zinc/44/05/32/495440532.db2.gz CXEVKTZSNRCOGP-VQTJNVASSA-N 2 1 353.466 3.144 20 0 FGADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543614 505782877 /nfs/dbraw/zinc/78/28/77/505782877.db2.gz LMFBAAUUAIOWHC-RXVVDRJESA-N 2 1 352.478 3.222 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000137683520 495448233 /nfs/dbraw/zinc/44/82/33/495448233.db2.gz MHWBETGXKUJYNO-GOSISDBHSA-N 2 1 359.514 3.222 20 0 FGADMP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000125560447 495463092 /nfs/dbraw/zinc/46/30/92/495463092.db2.gz BEWIBYDWXQGSPL-UWJYYQICSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000125560447 495463096 /nfs/dbraw/zinc/46/30/96/495463096.db2.gz BEWIBYDWXQGSPL-UWJYYQICSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000125560447 495463100 /nfs/dbraw/zinc/46/31/00/495463100.db2.gz BEWIBYDWXQGSPL-UWJYYQICSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000125560447 495463105 /nfs/dbraw/zinc/46/31/05/495463105.db2.gz BEWIBYDWXQGSPL-UWJYYQICSA-N 2 1 373.516 3.265 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125709310 495486655 /nfs/dbraw/zinc/48/66/55/495486655.db2.gz HEZZXTKEGBKLEW-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](CO)c1cccc(Br)c1 ZINC000125709310 495486657 /nfs/dbraw/zinc/48/66/57/495486657.db2.gz HEZZXTKEGBKLEW-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000125780004 495498315 /nfs/dbraw/zinc/49/83/15/495498315.db2.gz QUXIOYOCXJCRMT-UIFIKXQLSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000125780004 495498321 /nfs/dbraw/zinc/49/83/21/495498321.db2.gz QUXIOYOCXJCRMT-UIFIKXQLSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000125780004 495498325 /nfs/dbraw/zinc/49/83/25/495498325.db2.gz QUXIOYOCXJCRMT-UIFIKXQLSA-N 2 1 357.542 3.232 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438501 495563977 /nfs/dbraw/zinc/56/39/77/495563977.db2.gz QYYZEJZEBNQVJH-QGZVFWFLSA-N 2 1 354.922 3.194 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000173525229 495573644 /nfs/dbraw/zinc/57/36/44/495573644.db2.gz ZXSGEFCFMHSWKM-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(I)cc2)CC[N@H+]1C ZINC000173525229 495573648 /nfs/dbraw/zinc/57/36/48/495573648.db2.gz ZXSGEFCFMHSWKM-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525229 495573651 /nfs/dbraw/zinc/57/36/51/495573651.db2.gz ZXSGEFCFMHSWKM-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525229 495573655 /nfs/dbraw/zinc/57/36/55/495573655.db2.gz ZXSGEFCFMHSWKM-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc(O)cc(F)c3)cc2)C[C@H](C)O1 ZINC000185458195 495584522 /nfs/dbraw/zinc/58/45/22/495584522.db2.gz KFZXYRBMLYJBRK-IYBDPMFKSA-N 2 1 358.457 3.430 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000179471813 495605350 /nfs/dbraw/zinc/60/53/50/495605350.db2.gz QEMDMRRLAQIRSC-OAQYLSRUSA-N 2 1 369.553 3.374 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154520449 495641629 /nfs/dbraw/zinc/64/16/29/495641629.db2.gz OAZJKXQOIXHZCR-KRWDZBQOSA-N 2 1 365.587 3.485 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182683712 495663608 /nfs/dbraw/zinc/66/36/08/495663608.db2.gz PZGZFRWAUUOHOG-RTBURBONSA-N 2 1 366.594 3.448 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000182691135 495666199 /nfs/dbraw/zinc/66/61/99/495666199.db2.gz SGHCEIBVDAEXTR-QZTJIDSGSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662548 495667996 /nfs/dbraw/zinc/66/79/96/495667996.db2.gz HPHGWECGPKZWOY-BXWFABGCSA-N 2 1 366.933 3.322 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711821 495691506 /nfs/dbraw/zinc/69/15/06/495691506.db2.gz YDHCSOVLRDVXST-UONOGXRCSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711821 495691510 /nfs/dbraw/zinc/69/15/10/495691510.db2.gz YDHCSOVLRDVXST-UONOGXRCSA-N 2 1 369.962 3.260 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185719674 495696266 /nfs/dbraw/zinc/69/62/66/495696266.db2.gz CNXCTTLTEWITGR-SFHLNBCPSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722830 495697397 /nfs/dbraw/zinc/69/73/97/495697397.db2.gz ZZZVBNUMEQZTDT-MOPGFXCFSA-N 2 1 369.553 3.077 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722830 495697401 /nfs/dbraw/zinc/69/74/01/495697401.db2.gz ZZZVBNUMEQZTDT-MOPGFXCFSA-N 2 1 369.553 3.077 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171040162 495699151 /nfs/dbraw/zinc/69/91/51/495699151.db2.gz WHLHWGHLWWUADA-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000171049410 495702452 /nfs/dbraw/zinc/70/24/52/495702452.db2.gz MUJAIFLBBADEEI-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735824 495703451 /nfs/dbraw/zinc/70/34/51/495703451.db2.gz NTBYTHCDOQVNOM-IAGOWNOFSA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735824 495703457 /nfs/dbraw/zinc/70/34/57/495703457.db2.gz NTBYTHCDOQVNOM-IAGOWNOFSA-N 2 1 359.514 3.266 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737215 495703939 /nfs/dbraw/zinc/70/39/39/495703939.db2.gz KETQTZKRUOLAPC-ICSRJNTNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737215 495703942 /nfs/dbraw/zinc/70/39/42/495703942.db2.gz KETQTZKRUOLAPC-ICSRJNTNSA-N 2 1 369.553 3.420 20 0 FGADMP COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755577 495712379 /nfs/dbraw/zinc/71/23/79/495712379.db2.gz MXLINANZBFGRMP-SJORKVTESA-N 2 1 359.514 3.266 20 0 FGADMP [NH3+]C1(C[NH2+]Cc2cnc3ccc(Br)cn23)CCCCCC1 ZINC000580629612 505801781 /nfs/dbraw/zinc/80/17/81/505801781.db2.gz ZXBUYMLKMTYBSK-UHFFFAOYSA-N 2 1 351.292 3.238 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@H](C)C1 ZINC000151195096 495768310 /nfs/dbraw/zinc/76/83/10/495768310.db2.gz LERMQLYTIREVEL-OXQOHEQNSA-N 2 1 352.494 3.199 20 0 FGADMP CC(C)CNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174154926 495840161 /nfs/dbraw/zinc/84/01/61/495840161.db2.gz CQLMXFJLXVYBCU-QGZVFWFLSA-N 2 1 357.498 3.162 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183160059 495860473 /nfs/dbraw/zinc/86/04/73/495860473.db2.gz NIOQFGQOFDNZPC-SLFFLAALSA-N 2 1 357.542 3.039 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180110839 495862634 /nfs/dbraw/zinc/86/26/34/495862634.db2.gz GUAQTQOZFSKUIC-IBGZPJMESA-N 2 1 368.569 3.341 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000155193126 495869350 /nfs/dbraw/zinc/86/93/50/495869350.db2.gz CCRMSJVREGVPLY-CTNGQTDRSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000155193126 495869361 /nfs/dbraw/zinc/86/93/61/495869361.db2.gz CCRMSJVREGVPLY-CTNGQTDRSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000155193126 495869366 /nfs/dbraw/zinc/86/93/66/495869366.db2.gz CCRMSJVREGVPLY-CTNGQTDRSA-N 2 1 355.526 3.227 20 0 FGADMP Cc1ccccc1[C@H]1C[C@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229716 495883810 /nfs/dbraw/zinc/88/38/10/495883810.db2.gz HEUYLGKFNPNHTD-OALUTQOASA-N 2 1 357.542 3.162 20 0 FGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180168089 495889527 /nfs/dbraw/zinc/88/95/27/495889527.db2.gz FVVMZCTVRZRYIV-CISPJPAASA-N 2 1 366.553 3.468 20 0 FGADMP COc1ccccc1-c1ccc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000174300264 495900100 /nfs/dbraw/zinc/90/01/00/495900100.db2.gz LRCINAOAKKOHLY-UHFFFAOYSA-N 2 1 354.494 3.299 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)CC1 ZINC000171527691 495915081 /nfs/dbraw/zinc/91/50/81/495915081.db2.gz RAOCFMIUIDXZEN-INIZCTEOSA-N 2 1 355.498 3.213 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+](C)C)cc1 ZINC000174383650 495934590 /nfs/dbraw/zinc/93/45/90/495934590.db2.gz XMMJCZKGNYRMIF-QHAWAJNXSA-N 2 1 372.557 3.254 20 0 FGADMP C[N@H+]1CCC[C@H](CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422520 495951508 /nfs/dbraw/zinc/95/15/08/495951508.db2.gz MFEMGYRPWJGQFF-QAPCUYQASA-N 2 1 352.906 3.329 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422520 495951513 /nfs/dbraw/zinc/95/15/13/495951513.db2.gz MFEMGYRPWJGQFF-QAPCUYQASA-N 2 1 352.906 3.329 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422520 495951521 /nfs/dbraw/zinc/95/15/21/495951521.db2.gz MFEMGYRPWJGQFF-QAPCUYQASA-N 2 1 352.906 3.329 20 0 FGADMP COC(=O)CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000155644254 496022634 /nfs/dbraw/zinc/02/26/34/496022634.db2.gz LOVBURXWBYXUSX-UHFFFAOYSA-N 2 1 364.449 3.223 20 0 FGADMP COC(=O)CCCN(Cc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000155644254 496022637 /nfs/dbraw/zinc/02/26/37/496022637.db2.gz LOVBURXWBYXUSX-UHFFFAOYSA-N 2 1 364.449 3.223 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600626 496127338 /nfs/dbraw/zinc/12/73/38/496127338.db2.gz DUAQIQZILNMYBO-YLJYHZDGSA-N 2 1 361.505 3.199 20 0 FGADMP CN(CC[N@@H+](C)CCc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000180934010 496205621 /nfs/dbraw/zinc/20/56/21/496205621.db2.gz CBSFQPWGMIXMAZ-UHFFFAOYSA-N 2 1 373.463 3.086 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000177843002 496219409 /nfs/dbraw/zinc/21/94/09/496219409.db2.gz SHLLUSFXJUAENP-QUCCMNQESA-N 2 1 360.546 3.053 20 0 FGADMP CC(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000175064081 496233372 /nfs/dbraw/zinc/23/33/72/496233372.db2.gz VMVJXFJLEWRKNX-NXEWRWPSSA-N 2 1 364.578 3.057 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000156474064 496256171 /nfs/dbraw/zinc/25/61/71/496256171.db2.gz KXMCIIIYUGQGBZ-VKJFTORMSA-N 2 1 366.347 3.205 20 0 FGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000162219358 496316072 /nfs/dbraw/zinc/31/60/72/496316072.db2.gz GTOZWJQWGVUCLZ-OAHLLOKOSA-N 2 1 367.497 3.371 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187160219 496318519 /nfs/dbraw/zinc/31/85/19/496318519.db2.gz VHWJTJRLPONBCA-QWRGUYRKSA-N 2 1 355.255 3.475 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000162229747 496318764 /nfs/dbraw/zinc/31/87/64/496318764.db2.gz XOGLZDRCYUQQOJ-HNNXBMFYSA-N 2 1 370.497 3.430 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(-c3cnn(C)c3C)no2)CC1 ZINC000184457494 496391476 /nfs/dbraw/zinc/39/14/76/496391476.db2.gz VIADOYOGMQTHEV-UHFFFAOYSA-N 2 1 359.518 3.327 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162790961 496412693 /nfs/dbraw/zinc/41/26/93/496412693.db2.gz MUNZTAFGWCGYOS-YOEHRIQHSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162790961 496412697 /nfs/dbraw/zinc/41/26/97/496412697.db2.gz MUNZTAFGWCGYOS-YOEHRIQHSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162790961 496412701 /nfs/dbraw/zinc/41/27/01/496412701.db2.gz MUNZTAFGWCGYOS-YOEHRIQHSA-N 2 1 369.431 3.450 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691600 496530076 /nfs/dbraw/zinc/53/00/76/496530076.db2.gz FDNOSUTYAGOLHU-QGZVFWFLSA-N 2 1 350.482 3.014 20 0 FGADMP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178672787 496535527 /nfs/dbraw/zinc/53/55/27/496535527.db2.gz HSJRKDCTJPQURC-LJQANCHMSA-N 2 1 371.550 3.094 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000178734797 496555138 /nfs/dbraw/zinc/55/51/38/496555138.db2.gz HVYOQAROHXLSPY-PXNSSMCTSA-N 2 1 361.530 3.069 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CC[C@@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000569096147 505852538 /nfs/dbraw/zinc/85/25/38/505852538.db2.gz NQIAFIWHEJVCNR-LRXVAGHRSA-N 2 1 366.509 3.480 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000157927465 496587487 /nfs/dbraw/zinc/58/74/87/496587487.db2.gz GPKRMQJBXLKKHC-SJORKVTESA-N 2 1 367.559 3.221 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000164264251 496599507 /nfs/dbraw/zinc/59/95/07/496599507.db2.gz JXOQMYHSRFIRHI-HNNXBMFYSA-N 2 1 365.543 3.116 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000175946355 496612704 /nfs/dbraw/zinc/61/27/04/496612704.db2.gz PTZDGROXPMVPEK-FQEVSTJZSA-N 2 1 361.505 3.169 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000175946355 496612709 /nfs/dbraw/zinc/61/27/09/496612709.db2.gz PTZDGROXPMVPEK-FQEVSTJZSA-N 2 1 361.505 3.169 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000165149647 496649198 /nfs/dbraw/zinc/64/91/98/496649198.db2.gz CRPLAGQHQXTCQT-RTBURBONSA-N 2 1 369.534 3.106 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000165149647 496649206 /nfs/dbraw/zinc/64/92/06/496649206.db2.gz CRPLAGQHQXTCQT-RTBURBONSA-N 2 1 369.534 3.106 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158231486 496655616 /nfs/dbraw/zinc/65/56/16/496655616.db2.gz JVSOLXFYFNBWEB-KBPBESRZSA-N 2 1 368.319 3.098 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967972 505857817 /nfs/dbraw/zinc/85/78/17/505857817.db2.gz QLDYKGDXKBDXKH-QKNQBKEWSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000571967972 505857821 /nfs/dbraw/zinc/85/78/21/505857821.db2.gz QLDYKGDXKBDXKH-QKNQBKEWSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000571967972 505857825 /nfs/dbraw/zinc/85/78/25/505857825.db2.gz QLDYKGDXKBDXKH-QKNQBKEWSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073046 496672640 /nfs/dbraw/zinc/67/26/40/496672640.db2.gz MTWWYOSGZITABA-IBGZPJMESA-N 2 1 361.505 3.169 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073046 496672646 /nfs/dbraw/zinc/67/26/46/496672646.db2.gz MTWWYOSGZITABA-IBGZPJMESA-N 2 1 361.505 3.169 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073065 496672728 /nfs/dbraw/zinc/67/27/28/496672728.db2.gz MTWWYOSGZITABA-LJQANCHMSA-N 2 1 361.505 3.169 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176073065 496672736 /nfs/dbraw/zinc/67/27/36/496672736.db2.gz MTWWYOSGZITABA-LJQANCHMSA-N 2 1 361.505 3.169 20 0 FGADMP CCc1noc(-c2ccc(CC[NH2+]Cc3c[nH+]ccc3N(C)C)cc2)n1 ZINC000185188263 496697414 /nfs/dbraw/zinc/69/74/14/496697414.db2.gz PAYYGAPGQSJHOW-UHFFFAOYSA-N 2 1 351.454 3.092 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000168705587 496712066 /nfs/dbraw/zinc/71/20/66/496712066.db2.gz DCWPGLQAMCKKRB-IRLDBZIGSA-N 2 1 365.521 3.447 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000185294014 496725292 /nfs/dbraw/zinc/72/52/92/496725292.db2.gz CQPOLUKWBHJVMF-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1CCC[C@](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)([NH+](C)C)C1 ZINC000246963638 496737122 /nfs/dbraw/zinc/73/71/22/496737122.db2.gz ISYUDJDHXJYBNZ-WKDRNLAYSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)CC1 ZINC000191459165 496770547 /nfs/dbraw/zinc/77/05/47/496770547.db2.gz JDIJGFZLCPARCE-QFIPXVFZSA-N 2 1 359.558 3.084 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000268748900 496772802 /nfs/dbraw/zinc/77/28/02/496772802.db2.gz BQNNFMYYMBYKAN-NZSAHSFTSA-N 2 1 369.475 3.371 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@@H]3C)CCOCC2)cc1 ZINC000247101503 496779173 /nfs/dbraw/zinc/77/91/73/496779173.db2.gz QBEICWUFLSVNRT-GHTZIAJQSA-N 2 1 360.542 3.453 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768032 496780091 /nfs/dbraw/zinc/78/00/91/496780091.db2.gz OOGBJMCKHONRST-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768032 496780097 /nfs/dbraw/zinc/78/00/97/496780097.db2.gz OOGBJMCKHONRST-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247123417 496785832 /nfs/dbraw/zinc/78/58/32/496785832.db2.gz RFXWXPOANSVHHF-WMZHIEFXSA-N 2 1 368.521 3.255 20 0 FGADMP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247123417 496785838 /nfs/dbraw/zinc/78/58/38/496785838.db2.gz RFXWXPOANSVHHF-WMZHIEFXSA-N 2 1 368.521 3.255 20 0 FGADMP OCC1(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000572000715 505866383 /nfs/dbraw/zinc/86/63/83/505866383.db2.gz GOKLFDOGEVFMQE-JOCHJYFZSA-N 2 1 372.553 3.152 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000268829818 496798380 /nfs/dbraw/zinc/79/83/80/496798380.db2.gz SAPBXKGKOOZVJZ-UHFFFAOYSA-N 2 1 350.869 3.238 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000247177275 496799842 /nfs/dbraw/zinc/79/98/42/496799842.db2.gz UYOADKHDJJBDAD-LSDHHAIUSA-N 2 1 357.340 3.136 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000191580989 496820503 /nfs/dbraw/zinc/82/05/03/496820503.db2.gz KZPKERVYJKYOCW-JOCHJYFZSA-N 2 1 366.505 3.332 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134452 496830888 /nfs/dbraw/zinc/83/08/88/496830888.db2.gz GDGJNBQPUYRTAG-AZUAARDMSA-N 2 1 361.493 3.440 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247310464 496831704 /nfs/dbraw/zinc/83/17/04/496831704.db2.gz HCOZWWHFXSNNHL-IYWMVGAKSA-N 2 1 364.578 3.013 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000247480595 496868326 /nfs/dbraw/zinc/86/83/26/496868326.db2.gz SPRWIBWPMJQWEC-QZTJIDSGSA-N 2 1 351.494 3.039 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000247480602 496868879 /nfs/dbraw/zinc/86/88/79/496868879.db2.gz SPRWIBWPMJQWEC-ZWKOTPCHSA-N 2 1 351.494 3.039 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)COC4)CC2)nc(C)[nH+]1 ZINC000269126640 496876749 /nfs/dbraw/zinc/87/67/49/496876749.db2.gz YSWDVEVIWJPTBF-OAHLLOKOSA-N 2 1 352.482 3.443 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCO[C@@H](c4cccs4)C3)c2cc1C ZINC000247672384 496904153 /nfs/dbraw/zinc/90/41/53/496904153.db2.gz YSGXFUFOGGCHLA-QFBILLFUSA-N 2 1 371.506 3.149 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000269250924 496904614 /nfs/dbraw/zinc/90/46/14/496904614.db2.gz HDPBRRUEBLZXKU-MRXNPFEDSA-N 2 1 358.313 3.057 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000247926059 496929267 /nfs/dbraw/zinc/92/92/67/496929267.db2.gz BPKYNMPBLQHKHR-AIANPOQGSA-N 2 1 366.347 3.346 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000580950623 505875118 /nfs/dbraw/zinc/87/51/18/505875118.db2.gz XKYZIQPARRXJFG-GAJHUEQPSA-N 2 1 374.488 3.289 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000248397332 496994557 /nfs/dbraw/zinc/99/45/57/496994557.db2.gz HYDIJNPXJDXMFD-BJESRGMDSA-N 2 1 372.553 3.462 20 0 FGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000248410868 497000943 /nfs/dbraw/zinc/00/09/43/497000943.db2.gz YPCYKCWHVFPUCA-UFGBVDADSA-N 2 1 350.510 3.157 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)CC1 ZINC000264881646 497003127 /nfs/dbraw/zinc/00/31/27/497003127.db2.gz RERZZNJZIMPVDT-JOCHJYFZSA-N 2 1 363.505 3.241 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436017 497009827 /nfs/dbraw/zinc/00/98/27/497009827.db2.gz GBSTXZGQISLZAM-YLJYHZDGSA-N 2 1 353.510 3.170 20 0 FGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(C)C ZINC000248436670 497011990 /nfs/dbraw/zinc/01/19/90/497011990.db2.gz GKMHBVQJGOYVIM-QHAWAJNXSA-N 2 1 360.542 3.183 20 0 FGADMP C[N@H+](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C1CCCC1 ZINC000189161963 497029454 /nfs/dbraw/zinc/02/94/54/497029454.db2.gz YLVDZIBPGWEODZ-UHFFFAOYSA-N 2 1 369.509 3.058 20 0 FGADMP C[N@@H+](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C1CCCC1 ZINC000189161963 497029460 /nfs/dbraw/zinc/02/94/60/497029460.db2.gz YLVDZIBPGWEODZ-UHFFFAOYSA-N 2 1 369.509 3.058 20 0 FGADMP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000269973194 497035452 /nfs/dbraw/zinc/03/54/52/497035452.db2.gz OUZNOCZXTHIANO-PMPSAXMXSA-N 2 1 369.431 3.380 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248555682 497038463 /nfs/dbraw/zinc/03/84/63/497038463.db2.gz IBRKXNBMLFIUMO-BZSNNMDCSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248555682 497038470 /nfs/dbraw/zinc/03/84/70/497038470.db2.gz IBRKXNBMLFIUMO-BZSNNMDCSA-N 2 1 373.541 3.115 20 0 FGADMP CC[C@H](C)[N@H+](C)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000248729549 497090580 /nfs/dbraw/zinc/09/05/80/497090580.db2.gz OBLCRRBHVGLZMB-KFKAGJAMSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000248729549 497090582 /nfs/dbraw/zinc/09/05/82/497090582.db2.gz OBLCRRBHVGLZMB-KFKAGJAMSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000248729549 497090586 /nfs/dbraw/zinc/09/05/86/497090586.db2.gz OBLCRRBHVGLZMB-KFKAGJAMSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000248729549 497090589 /nfs/dbraw/zinc/09/05/89/497090589.db2.gz OBLCRRBHVGLZMB-KFKAGJAMSA-N 2 1 353.938 3.032 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OC(F)F ZINC000278371216 497091884 /nfs/dbraw/zinc/09/18/84/497091884.db2.gz BXCLYNHXNDZCCE-HUUCEWRRSA-N 2 1 372.456 3.448 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000248734386 497092910 /nfs/dbraw/zinc/09/29/10/497092910.db2.gz NFVWWGKRWGRTNT-APWZRJJASA-N 2 1 361.555 3.122 20 0 FGADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390117 497097772 /nfs/dbraw/zinc/09/77/72/497097772.db2.gz ITUBEMIFWIHMPM-FPOVZHCZSA-N 2 1 353.510 3.004 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000278388459 497097921 /nfs/dbraw/zinc/09/79/21/497097921.db2.gz CSHKAYLAYWOSNE-RTBURBONSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000278388459 497097925 /nfs/dbraw/zinc/09/79/25/497097925.db2.gz CSHKAYLAYWOSNE-RTBURBONSA-N 2 1 361.530 3.111 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000248823871 497110492 /nfs/dbraw/zinc/11/04/92/497110492.db2.gz ZBLFRNHDZXFULR-KVJIRVJXSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000248823871 497110495 /nfs/dbraw/zinc/11/04/95/497110495.db2.gz ZBLFRNHDZXFULR-KVJIRVJXSA-N 2 1 370.537 3.345 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@@H]2CCCO[C@H]21 ZINC000248835232 497114463 /nfs/dbraw/zinc/11/44/63/497114463.db2.gz NDPBQSUUJISSPS-PLACYPQZSA-N 2 1 358.526 3.071 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@@H]2CCCO[C@H]21 ZINC000248835232 497114468 /nfs/dbraw/zinc/11/44/68/497114468.db2.gz NDPBQSUUJISSPS-PLACYPQZSA-N 2 1 358.526 3.071 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236656015 497127639 /nfs/dbraw/zinc/12/76/39/497127639.db2.gz FTAQLOHHQOOXHO-DYESRHJHSA-N 2 1 353.510 3.479 20 0 FGADMP CCCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000236730397 497139657 /nfs/dbraw/zinc/13/96/57/497139657.db2.gz CHESKGNXWHMKCN-QGZVFWFLSA-N 2 1 371.447 3.304 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000192524224 497140299 /nfs/dbraw/zinc/14/02/99/497140299.db2.gz OXFGNKMYHUGVSL-XDNSSPFJSA-N 2 1 367.537 3.173 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]C[C@@H]2CCSC2)c1)C1CCOCC1 ZINC000278556944 497153224 /nfs/dbraw/zinc/15/32/24/497153224.db2.gz VULITYKVPJGXKY-SFHVURJKSA-N 2 1 364.555 3.019 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000236858395 497157751 /nfs/dbraw/zinc/15/77/51/497157751.db2.gz HKXJSZNOANHXSB-ZDUSSCGKSA-N 2 1 353.894 3.140 20 0 FGADMP Cn1c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2sc1=O ZINC000192609349 497163384 /nfs/dbraw/zinc/16/33/84/497163384.db2.gz MPTFLSNKRFEAPY-UHFFFAOYSA-N 2 1 359.539 3.487 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192684979 497184271 /nfs/dbraw/zinc/18/42/71/497184271.db2.gz IGSTZVAKJPVUEE-PXNSSMCTSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866801 497186593 /nfs/dbraw/zinc/18/65/93/497186593.db2.gz DZQRWJGZMZKCRB-JBACZVJFSA-N 2 1 350.510 3.161 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)C[NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000237166907 497200845 /nfs/dbraw/zinc/20/08/45/497200845.db2.gz UJBUJQZYGWFGLF-IBGZPJMESA-N 2 1 359.514 3.158 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000266020094 497234705 /nfs/dbraw/zinc/23/47/05/497234705.db2.gz RECVZVQPJSNREO-GVDBMIGSSA-N 2 1 357.498 3.272 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000251654897 497279737 /nfs/dbraw/zinc/27/97/37/497279737.db2.gz JUJSAMATHLLCPU-QRVBRYPASA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000193077931 497295629 /nfs/dbraw/zinc/29/56/29/497295629.db2.gz BHLQJBMHOSNHSM-MRXNPFEDSA-N 2 1 363.933 3.325 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734006 497319137 /nfs/dbraw/zinc/31/91/37/497319137.db2.gz XTNWXBHSXRPQNA-SJLPKXTDSA-N 2 1 364.917 3.460 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734006 497319143 /nfs/dbraw/zinc/31/91/43/497319143.db2.gz XTNWXBHSXRPQNA-SJLPKXTDSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734006 497319148 /nfs/dbraw/zinc/31/91/48/497319148.db2.gz XTNWXBHSXRPQNA-SJLPKXTDSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734006 497319151 /nfs/dbraw/zinc/31/91/51/497319151.db2.gz XTNWXBHSXRPQNA-SJLPKXTDSA-N 2 1 364.917 3.460 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423340 497321472 /nfs/dbraw/zinc/32/14/72/497321472.db2.gz DRZUUWFXSGDAFR-HLRQEUIKSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423340 497321476 /nfs/dbraw/zinc/32/14/76/497321476.db2.gz DRZUUWFXSGDAFR-HLRQEUIKSA-N 2 1 368.525 3.283 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)c(C)nc2s1 ZINC000581059577 505901358 /nfs/dbraw/zinc/90/13/58/505901358.db2.gz MUSSYSRXCFRHJZ-DOTOQJQBSA-N 2 1 373.501 3.030 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@H+](C)C(C)C)cc(Br)c1O ZINC000578273210 505901699 /nfs/dbraw/zinc/90/16/99/505901699.db2.gz DWXCQVXPPHQEOH-UHFFFAOYSA-N 2 1 359.308 3.373 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)cc(Br)c1O ZINC000578273210 505901701 /nfs/dbraw/zinc/90/17/01/505901701.db2.gz DWXCQVXPPHQEOH-UHFFFAOYSA-N 2 1 359.308 3.373 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000266572493 497372760 /nfs/dbraw/zinc/37/27/60/497372760.db2.gz XEZYJZSTJUKFRZ-SEJPIABJSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275606591 497380317 /nfs/dbraw/zinc/38/03/17/497380317.db2.gz HNUZDQMLJSGZGN-SFHVURJKSA-N 2 1 360.546 3.424 20 0 FGADMP COc1ccccc1NC(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193469789 497387843 /nfs/dbraw/zinc/38/78/43/497387843.db2.gz JFUCERXQXWPCIU-UHFFFAOYSA-N 2 1 359.514 3.222 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412166 497393083 /nfs/dbraw/zinc/39/30/83/497393083.db2.gz ABZAXLHVKBCWEN-RXVVDRJESA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412166 497393086 /nfs/dbraw/zinc/39/30/86/497393086.db2.gz ABZAXLHVKBCWEN-RXVVDRJESA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000245412166 497393091 /nfs/dbraw/zinc/39/30/91/497393091.db2.gz ABZAXLHVKBCWEN-RXVVDRJESA-N 2 1 357.542 3.234 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414627 497394613 /nfs/dbraw/zinc/39/46/13/497394613.db2.gz CKWYFMFJMBPCIH-AZUAARDMSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414627 497394617 /nfs/dbraw/zinc/39/46/17/497394617.db2.gz CKWYFMFJMBPCIH-AZUAARDMSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414627 497394622 /nfs/dbraw/zinc/39/46/22/497394622.db2.gz CKWYFMFJMBPCIH-AZUAARDMSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414627 497394629 /nfs/dbraw/zinc/39/46/29/497394629.db2.gz CKWYFMFJMBPCIH-AZUAARDMSA-N 2 1 356.510 3.243 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245469075 497421495 /nfs/dbraw/zinc/42/14/95/497421495.db2.gz LLDPWCNVCBJFSH-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266897045 497441392 /nfs/dbraw/zinc/44/13/92/497441392.db2.gz FMXCSTOWBHGBCV-SJORKVTESA-N 2 1 367.497 3.217 20 0 FGADMP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000266897045 497441393 /nfs/dbraw/zinc/44/13/93/497441393.db2.gz FMXCSTOWBHGBCV-SJORKVTESA-N 2 1 367.497 3.217 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261754402 497445358 /nfs/dbraw/zinc/44/53/58/497445358.db2.gz NGPBVFHUCFETES-WIYYLYMNSA-N 2 1 365.521 3.089 20 0 FGADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000271830700 497463604 /nfs/dbraw/zinc/46/36/04/497463604.db2.gz QUESMYGXIZZPRE-QZTJIDSGSA-N 2 1 352.544 3.093 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332448 505909866 /nfs/dbraw/zinc/90/98/66/505909866.db2.gz ROIAUMWXBORHCI-CQSZACIVSA-N 2 1 368.319 3.099 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)N2CC[C@@H](C)Sc3ccccc32)CC1 ZINC000261977014 497486555 /nfs/dbraw/zinc/48/65/55/497486555.db2.gz GMABSKNCCWDOSF-MRXNPFEDSA-N 2 1 361.555 3.225 20 0 FGADMP O=C(CC[N@@H+]1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000262115238 497511085 /nfs/dbraw/zinc/51/10/85/497511085.db2.gz MXKFCKMILGOSMJ-QGZVFWFLSA-N 2 1 369.431 3.054 20 0 FGADMP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729663 497519510 /nfs/dbraw/zinc/51/95/10/497519510.db2.gz QATBLEYKBBPXBP-MZADTFQBSA-N 2 1 355.526 3.174 20 0 FGADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000262203898 497524185 /nfs/dbraw/zinc/52/41/85/497524185.db2.gz SOMJFEOYRRWJOZ-JOCHJYFZSA-N 2 1 369.484 3.059 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227727 497526585 /nfs/dbraw/zinc/52/65/85/497526585.db2.gz GLZKEMICYWIXOX-STOPYWCFSA-N 2 1 361.574 3.253 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759896 497530593 /nfs/dbraw/zinc/53/05/93/497530593.db2.gz VKQQDVNHMYMNAX-BXXSPATCSA-N 2 1 371.569 3.128 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245765178 497532080 /nfs/dbraw/zinc/53/20/80/497532080.db2.gz QQDOWVAZWVXXPQ-SIKLNZKXSA-N 2 1 357.542 3.218 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000193970519 497536375 /nfs/dbraw/zinc/53/63/75/497536375.db2.gz QYYKACQNNIDRNC-UHFFFAOYSA-N 2 1 355.320 3.253 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)CC1 ZINC000276308914 497541599 /nfs/dbraw/zinc/54/15/99/497541599.db2.gz LQVCKSHUEISELN-UHFFFAOYSA-N 2 1 367.541 3.068 20 0 FGADMP CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262357590 497544197 /nfs/dbraw/zinc/54/41/97/497544197.db2.gz JQHZDNMWFSFZEG-JBACZVJFSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206566 497564580 /nfs/dbraw/zinc/56/45/80/497564580.db2.gz PLQPETLNVDZCHW-YLJYHZDGSA-N 2 1 372.534 3.090 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262519004 497569021 /nfs/dbraw/zinc/56/90/21/497569021.db2.gz VANCCOSGKCMRJN-RXVVDRJESA-N 2 1 351.494 3.057 20 0 FGADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000245916373 497570273 /nfs/dbraw/zinc/57/02/73/497570273.db2.gz WPFIXUADUBZION-CEXWTWQISA-N 2 1 366.571 3.197 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183072 497596099 /nfs/dbraw/zinc/59/60/99/497596099.db2.gz MLKJWVILSZPBDE-UXHICEINSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000272324888 497596693 /nfs/dbraw/zinc/59/66/93/497596693.db2.gz QUGADSFSPQYZSW-SFHVURJKSA-N 2 1 374.525 3.232 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H](c1ccccc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000194260140 497617439 /nfs/dbraw/zinc/61/74/39/497617439.db2.gz VMIACRSBUJCQFW-FCHUYYIVSA-N 2 1 352.526 3.033 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3nc(-c4ccccc4)c[nH]3)CC2)nc(C)[nH+]1 ZINC000194355199 497643158 /nfs/dbraw/zinc/64/31/58/497643158.db2.gz GSVSXDXHTQFESM-UHFFFAOYSA-N 2 1 362.481 3.242 20 0 FGADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538777 497655834 /nfs/dbraw/zinc/65/58/34/497655834.db2.gz CEYSSPCXFHLFDO-LPHOPBHVSA-N 2 1 370.493 3.410 20 0 FGADMP OCC[C@@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000246252976 497674460 /nfs/dbraw/zinc/67/44/60/497674460.db2.gz PPAOJKKCWQTSON-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263028833 497685692 /nfs/dbraw/zinc/68/56/92/497685692.db2.gz RQAWLWHKETUSTM-VLVMJKEHSA-N 2 1 355.526 3.206 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736571 497716728 /nfs/dbraw/zinc/71/67/28/497716728.db2.gz JURRQJUNMSECQB-OPAMFIHVSA-N 2 1 352.478 3.134 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000246388110 497717237 /nfs/dbraw/zinc/71/72/37/497717237.db2.gz IPRNGOQRZXRECH-IXDOHACOSA-N 2 1 372.431 3.004 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000246456877 497740161 /nfs/dbraw/zinc/74/01/61/497740161.db2.gz UWCPZISPQWPPET-QRVBRYPASA-N 2 1 366.594 3.116 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191231766 497750425 /nfs/dbraw/zinc/75/04/25/497750425.db2.gz FUROKOXQMWVRIV-IXDOHACOSA-N 2 1 350.551 3.487 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194732989 497753253 /nfs/dbraw/zinc/75/32/53/497753253.db2.gz YQPCFTVKOQRTCV-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000246496961 497753376 /nfs/dbraw/zinc/75/33/76/497753376.db2.gz SFJVDPKVGJDYMX-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(Br)o3)CC2)C[C@H](C)O1 ZINC000191280343 497766872 /nfs/dbraw/zinc/76/68/72/497766872.db2.gz QFBKXUKQCXEUAV-OKILXGFUSA-N 2 1 371.319 3.363 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000194827536 497784021 /nfs/dbraw/zinc/78/40/21/497784021.db2.gz DNYVORRISYTMCT-AWEZNQCLSA-N 2 1 358.511 3.271 20 0 FGADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1O ZINC000277245056 497787590 /nfs/dbraw/zinc/78/75/90/497787590.db2.gz OTYCDLHEZRDRIL-KRWDZBQOSA-N 2 1 364.530 3.201 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000246770396 497809574 /nfs/dbraw/zinc/80/95/74/497809574.db2.gz PWNALFWVWHMDSN-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000246770396 497809575 /nfs/dbraw/zinc/80/95/75/497809575.db2.gz PWNALFWVWHMDSN-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(SC)cc1OC ZINC000246770396 497809577 /nfs/dbraw/zinc/80/95/77/497809577.db2.gz PWNALFWVWHMDSN-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(SC)cc1OC ZINC000246770396 497809579 /nfs/dbraw/zinc/80/95/79/497809579.db2.gz PWNALFWVWHMDSN-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246834161 497814771 /nfs/dbraw/zinc/81/47/71/497814771.db2.gz XTJYAVAIHWFAQM-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246834161 497814773 /nfs/dbraw/zinc/81/47/73/497814773.db2.gz XTJYAVAIHWFAQM-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246834161 497814774 /nfs/dbraw/zinc/81/47/74/497814774.db2.gz XTJYAVAIHWFAQM-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000578402800 505930962 /nfs/dbraw/zinc/93/09/62/505930962.db2.gz LESKYBMVNXPHII-RTBURBONSA-N 2 1 374.573 3.297 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000578402800 505930964 /nfs/dbraw/zinc/93/09/64/505930964.db2.gz LESKYBMVNXPHII-RTBURBONSA-N 2 1 374.573 3.297 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246850219 497816463 /nfs/dbraw/zinc/81/64/63/497816463.db2.gz VRTGWNVWRJDVNE-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246850219 497816464 /nfs/dbraw/zinc/81/64/64/497816464.db2.gz VRTGWNVWRJDVNE-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246850219 497816465 /nfs/dbraw/zinc/81/64/65/497816465.db2.gz VRTGWNVWRJDVNE-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000246850219 497816466 /nfs/dbraw/zinc/81/64/66/497816466.db2.gz VRTGWNVWRJDVNE-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924088 497820424 /nfs/dbraw/zinc/82/04/24/497820424.db2.gz GWEKSUDOLUTFHP-RGCMKSIDSA-N 2 1 361.313 3.051 20 0 FGADMP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246928953 497820643 /nfs/dbraw/zinc/82/06/43/497820643.db2.gz SXSXMTLYAFLUOV-SLYNCCJLSA-N 2 1 359.558 3.330 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208689 497922862 /nfs/dbraw/zinc/92/28/62/497922862.db2.gz TUBIYEHYYIEFAG-KRWDZBQOSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208689 497922865 /nfs/dbraw/zinc/92/28/65/497922865.db2.gz TUBIYEHYYIEFAG-KRWDZBQOSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208689 497922869 /nfs/dbraw/zinc/92/28/69/497922869.db2.gz TUBIYEHYYIEFAG-KRWDZBQOSA-N 2 1 356.297 3.350 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000572364196 505950572 /nfs/dbraw/zinc/95/05/72/505950572.db2.gz XSBRNJCXXUGVJZ-NHCUHLMSSA-N 3 1 370.585 3.040 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000578486164 505951131 /nfs/dbraw/zinc/95/11/31/505951131.db2.gz SYJAEWOBNGOJAL-QGZVFWFLSA-N 2 1 355.486 3.176 20 0 FGADMP COCCc1cc[nH+]c(NCc2ccccc2N(C)C2CC[NH+](C)CC2)c1 ZINC000285175235 498012973 /nfs/dbraw/zinc/01/29/73/498012973.db2.gz MMCZEYFSYJCQRQ-UHFFFAOYSA-N 2 1 368.525 3.413 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000364641174 498064049 /nfs/dbraw/zinc/06/40/49/498064049.db2.gz IQKSFNSCMOFRME-UHFFFAOYSA-N 2 1 364.603 3.290 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619158 505982972 /nfs/dbraw/zinc/98/29/72/505982972.db2.gz BZQVKNOJIXLCQL-UONOGXRCSA-N 2 1 361.313 3.055 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000569650142 505983426 /nfs/dbraw/zinc/98/34/26/505983426.db2.gz IIROGBWKSXPCBD-AWEZNQCLSA-N 2 1 353.304 3.318 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1C(F)(F)F ZINC000281431112 498148372 /nfs/dbraw/zinc/14/83/72/498148372.db2.gz SMUVBURTHHBFKM-UHFFFAOYSA-N 2 1 357.420 3.452 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000364829665 498163459 /nfs/dbraw/zinc/16/34/59/498163459.db2.gz LJGQCSHCECDHOT-RXVVDRJESA-N 2 1 368.525 3.068 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517023 498178119 /nfs/dbraw/zinc/17/81/19/498178119.db2.gz HOBXHGJCUMRCGA-LEWJYISDSA-N 2 1 355.457 3.028 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292905374 498191628 /nfs/dbraw/zinc/19/16/28/498191628.db2.gz GWJNDSKWIUKEKH-SFHVURJKSA-N 2 1 369.431 3.452 20 0 FGADMP CCOc1ccccc1OCCN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000292932704 498201153 /nfs/dbraw/zinc/20/11/53/498201153.db2.gz CRFPADOHMTUBCN-DFNIBXOVSA-N 2 1 362.514 3.038 20 0 FGADMP CCOc1ccccc1OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000292932704 498201160 /nfs/dbraw/zinc/20/11/60/498201160.db2.gz CRFPADOHMTUBCN-DFNIBXOVSA-N 2 1 362.514 3.038 20 0 FGADMP CCOc1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000292932704 498201167 /nfs/dbraw/zinc/20/11/67/498201167.db2.gz CRFPADOHMTUBCN-DFNIBXOVSA-N 2 1 362.514 3.038 20 0 FGADMP CC[C@H](C)[N@H+](CCCc1c[nH+]cn1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000575759290 505998151 /nfs/dbraw/zinc/99/81/51/505998151.db2.gz ONJPKIGMPHMZQM-HNNXBMFYSA-N 2 1 353.470 3.302 20 0 FGADMP CC[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000575759290 505998154 /nfs/dbraw/zinc/99/81/54/505998154.db2.gz ONJPKIGMPHMZQM-HNNXBMFYSA-N 2 1 353.470 3.302 20 0 FGADMP C[N@H+](Cc1nc(-c2ccccc2)no1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364991265 498243275 /nfs/dbraw/zinc/24/32/75/498243275.db2.gz SGPHGNFXKPRRSE-UHFFFAOYSA-N 2 1 363.465 3.480 20 0 FGADMP CCC[NH+]1CCC(N(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000360341674 498266308 /nfs/dbraw/zinc/26/63/08/498266308.db2.gz HASFDOBBAWQDHN-UHFFFAOYSA-N 2 1 350.576 3.216 20 0 FGADMP COC[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000361035435 498335745 /nfs/dbraw/zinc/33/57/45/498335745.db2.gz ZOFFYMOEBZRKIJ-NBPAUJCUSA-N 2 1 368.468 3.131 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)CCc1cncn1C)c1ccc(Cl)cc1 ZINC000286247408 498337880 /nfs/dbraw/zinc/33/78/80/498337880.db2.gz GUOOQUHYNUJOHZ-GOSISDBHSA-N 2 1 362.905 3.205 20 0 FGADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826218 506025768 /nfs/dbraw/zinc/02/57/68/506025768.db2.gz RJHWYSJMMUMGHR-MAUKXSAKSA-N 2 1 371.447 3.203 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)c3cccc(O)c3)CC2)CC1 ZINC000581616602 506029162 /nfs/dbraw/zinc/02/91/62/506029162.db2.gz RMTHPPSSZZNUQO-QGZVFWFLSA-N 2 1 373.541 3.108 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000286488332 498414252 /nfs/dbraw/zinc/41/42/52/498414252.db2.gz LSFSRGRVUADFSL-CYBMUJFWSA-N 2 1 358.877 3.160 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635300 506032526 /nfs/dbraw/zinc/03/25/26/506032526.db2.gz ZQMKCGXACMHWCT-CXAGYDPISA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635300 506032530 /nfs/dbraw/zinc/03/25/30/506032530.db2.gz ZQMKCGXACMHWCT-CXAGYDPISA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635300 506032533 /nfs/dbraw/zinc/03/25/33/506032533.db2.gz ZQMKCGXACMHWCT-CXAGYDPISA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635300 506032538 /nfs/dbraw/zinc/03/25/38/506032538.db2.gz ZQMKCGXACMHWCT-CXAGYDPISA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635300 506032541 /nfs/dbraw/zinc/03/25/41/506032541.db2.gz ZQMKCGXACMHWCT-CXAGYDPISA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635300 506032544 /nfs/dbraw/zinc/03/25/44/506032544.db2.gz ZQMKCGXACMHWCT-CXAGYDPISA-N 2 1 365.315 3.497 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCC[NH+]1CCCC1 ZINC000365377687 498433650 /nfs/dbraw/zinc/43/36/50/498433650.db2.gz PVMPNRGMHMIAAJ-GOSISDBHSA-N 2 1 361.534 3.057 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846610 506035166 /nfs/dbraw/zinc/03/51/66/506035166.db2.gz LFRDXAQXBVQXHA-HSALFYBXSA-N 3 1 360.546 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000362163830 498471259 /nfs/dbraw/zinc/47/12/59/498471259.db2.gz UPYJSSHUEFCODL-SFHVURJKSA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000362163830 498471266 /nfs/dbraw/zinc/47/12/66/498471266.db2.gz UPYJSSHUEFCODL-SFHVURJKSA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293766382 498481626 /nfs/dbraw/zinc/48/16/26/498481626.db2.gz KLCAJXAMJFMTDF-HNAYVOBHSA-N 2 1 358.461 3.015 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN([C@@H](C)c2ccc(F)cc2)C1=O ZINC000293766382 498481633 /nfs/dbraw/zinc/48/16/33/498481633.db2.gz KLCAJXAMJFMTDF-HNAYVOBHSA-N 2 1 358.461 3.015 20 0 FGADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(C(F)(F)F)ccn1 ZINC000302479451 498490923 /nfs/dbraw/zinc/49/09/23/498490923.db2.gz WANBBWJFIJBWAX-SFHVURJKSA-N 2 1 365.399 3.174 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(F)c1 ZINC000290291948 498497907 /nfs/dbraw/zinc/49/79/07/498497907.db2.gz MVXQKEJKODKREO-OAHLLOKOSA-N 2 1 361.461 3.411 20 0 FGADMP CC[N@@H+](CCn1ccnc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000362396708 498510492 /nfs/dbraw/zinc/51/04/92/498510492.db2.gz OXHJPCSPDQWTQC-UHFFFAOYSA-N 3 1 356.518 3.096 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@@H](C)C1 ZINC000282494835 498534199 /nfs/dbraw/zinc/53/41/99/498534199.db2.gz XROIMBFDUIVXKC-QKLQHJQFSA-N 2 1 355.526 3.362 20 0 FGADMP NC(=O)[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926442 506049431 /nfs/dbraw/zinc/04/94/31/506049431.db2.gz HBKFKKWKCYYPOA-WOJBJXKFSA-N 2 1 367.468 3.139 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282567048 498561412 /nfs/dbraw/zinc/56/14/12/498561412.db2.gz USLGSAUXACVGOC-INIZCTEOSA-N 2 1 372.431 3.353 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1 ZINC000282567048 498561420 /nfs/dbraw/zinc/56/14/20/498561420.db2.gz USLGSAUXACVGOC-INIZCTEOSA-N 2 1 372.431 3.353 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000362854158 498566246 /nfs/dbraw/zinc/56/62/46/498566246.db2.gz WYFAHHQJQAYSDW-UHFFFAOYSA-N 2 1 362.493 3.144 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3conc3C)CC2)c1C ZINC000294090066 498584491 /nfs/dbraw/zinc/58/44/91/498584491.db2.gz ZNBISWZZUXNVEE-UHFFFAOYSA-N 2 1 358.486 3.100 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3conc3C)CC2)c1C ZINC000294090066 498584497 /nfs/dbraw/zinc/58/44/97/498584497.db2.gz ZNBISWZZUXNVEE-UHFFFAOYSA-N 2 1 358.486 3.100 20 0 FGADMP O=C(N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C12CCC[NH+]1CCC2 ZINC000365687382 498599072 /nfs/dbraw/zinc/59/90/72/498599072.db2.gz MUFGKFNBOCVWHC-UHFFFAOYSA-N 2 1 367.537 3.130 20 0 FGADMP C[C@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000297918420 498609090 /nfs/dbraw/zinc/60/90/90/498609090.db2.gz UOVAUTPGEBZXGJ-QGZVFWFLSA-N 2 1 358.530 3.129 20 0 FGADMP C[NH+](C)CCOc1ccc(-c2noc([C@@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000578916378 506051038 /nfs/dbraw/zinc/05/10/38/506051038.db2.gz QOFADWQWUBRBAE-LJQANCHMSA-N 2 1 366.465 3.328 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000363055949 498625386 /nfs/dbraw/zinc/62/53/86/498625386.db2.gz OVQVXNPCUBBIFW-NRFANRHFSA-N 2 1 365.521 3.043 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1)C(C)C ZINC000294354900 498667641 /nfs/dbraw/zinc/66/76/41/498667641.db2.gz YRDHXZPNWCRLSP-JOCHJYFZSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1)C(C)C ZINC000294354900 498667647 /nfs/dbraw/zinc/66/76/47/498667647.db2.gz YRDHXZPNWCRLSP-JOCHJYFZSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1)C(C)C ZINC000294354900 498667656 /nfs/dbraw/zinc/66/76/56/498667656.db2.gz YRDHXZPNWCRLSP-JOCHJYFZSA-N 2 1 357.542 3.475 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1(C)CCC1 ZINC000365863477 498676173 /nfs/dbraw/zinc/67/61/73/498676173.db2.gz RTYUQZSZYOXTNO-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000294469403 498701623 /nfs/dbraw/zinc/70/16/23/498701623.db2.gz GSODKTDMOAOPID-ZBFHGGJFSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000294469403 498701628 /nfs/dbraw/zinc/70/16/28/498701628.db2.gz GSODKTDMOAOPID-ZBFHGGJFSA-N 2 1 370.335 3.071 20 0 FGADMP Cn1c[nH+]cc1CCCN1CCc2cc(Br)cc(F)c2C1 ZINC000581892398 506084320 /nfs/dbraw/zinc/08/43/20/506084320.db2.gz KQIABUUWGJCGNN-UHFFFAOYSA-N 2 1 352.251 3.313 20 0 FGADMP c1cn2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)nc2s1 ZINC000311230434 498749493 /nfs/dbraw/zinc/74/94/93/498749493.db2.gz QXNLWKBXCTVJFY-ZWKOTPCHSA-N 2 1 352.507 3.350 20 0 FGADMP CCc1cccc(OCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000576168734 506092248 /nfs/dbraw/zinc/09/22/48/506092248.db2.gz ZLMWZUIXQBFXBC-KDURUIRLSA-N 2 1 360.542 3.449 20 0 FGADMP O[C@H](COCc1ccc(Cl)cc1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000363404371 498803658 /nfs/dbraw/zinc/80/36/58/498803658.db2.gz LLNPZODPDOXJGS-FQEVSTJZSA-N 2 1 366.933 3.214 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363413896 498807218 /nfs/dbraw/zinc/80/72/18/498807218.db2.gz IJPSMMHGPHMGIJ-MISYRCLQSA-N 2 1 355.526 3.473 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937851 506094652 /nfs/dbraw/zinc/09/46/52/506094652.db2.gz YKACNDAUIOKBAF-VSKRKVRLSA-N 2 1 371.569 3.165 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000579138734 506102700 /nfs/dbraw/zinc/10/27/00/506102700.db2.gz VIENHFLSWNHRJU-LJQANCHMSA-N 2 1 371.525 3.272 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000579138734 506102703 /nfs/dbraw/zinc/10/27/03/506102703.db2.gz VIENHFLSWNHRJU-LJQANCHMSA-N 2 1 371.525 3.272 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000579138734 506102705 /nfs/dbraw/zinc/10/27/05/506102705.db2.gz VIENHFLSWNHRJU-LJQANCHMSA-N 2 1 371.525 3.272 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000579138734 506102708 /nfs/dbraw/zinc/10/27/08/506102708.db2.gz VIENHFLSWNHRJU-LJQANCHMSA-N 2 1 371.525 3.272 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324459 498874898 /nfs/dbraw/zinc/87/48/98/498874898.db2.gz AXZPMEWSEVEKRG-LPHOPBHVSA-N 2 1 351.922 3.358 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000294998164 498874985 /nfs/dbraw/zinc/87/49/85/498874985.db2.gz LUNPOADPRZLNBN-UZLBHIALSA-N 2 1 361.505 3.340 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCCC(=O)c3ccccc3)CC2)CC1 ZINC000295002157 498876077 /nfs/dbraw/zinc/87/60/77/498876077.db2.gz RWWVYHUGIZSMDJ-UHFFFAOYSA-N 2 1 357.542 3.140 20 0 FGADMP Cc1cnc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)c1 ZINC000581999766 506110235 /nfs/dbraw/zinc/11/02/35/506110235.db2.gz GLPYOBHDBPADLC-UHFFFAOYSA-N 2 1 372.601 3.369 20 0 FGADMP Cc1cnc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000581999766 506110238 /nfs/dbraw/zinc/11/02/38/506110238.db2.gz GLPYOBHDBPADLC-UHFFFAOYSA-N 3 1 372.601 3.369 20 0 FGADMP Cc1cnc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000581999766 506110240 /nfs/dbraw/zinc/11/02/40/506110240.db2.gz GLPYOBHDBPADLC-UHFFFAOYSA-N 3 1 372.601 3.369 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000579182391 506111395 /nfs/dbraw/zinc/11/13/95/506111395.db2.gz WSRVDUOBBHCTGL-ZWKOTPCHSA-N 2 1 364.534 3.226 20 0 FGADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1F ZINC000295171664 498931802 /nfs/dbraw/zinc/93/18/02/498931802.db2.gz LMPMCZFJVRSRGP-HXUWFJFHSA-N 2 1 369.484 3.121 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000284227766 499072016 /nfs/dbraw/zinc/07/20/16/499072016.db2.gz UKVLVBRZCYYSGY-WWPVKYPJSA-N 2 1 366.505 3.242 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000284227766 499072020 /nfs/dbraw/zinc/07/20/20/499072020.db2.gz UKVLVBRZCYYSGY-WWPVKYPJSA-N 2 1 366.505 3.242 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000291946726 499108002 /nfs/dbraw/zinc/10/80/02/499108002.db2.gz PWOKMNCJAUCCSO-UHFFFAOYSA-N 2 1 373.545 3.008 20 0 FGADMP Cc1ccc(OCCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000367027594 499136243 /nfs/dbraw/zinc/13/62/43/499136243.db2.gz GGJOUXVTUNTGMU-IRLDBZIGSA-N 2 1 359.558 3.030 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000367029917 499136331 /nfs/dbraw/zinc/13/63/31/499136331.db2.gz OGTWCDWEFHIRTM-LPHOPBHVSA-N 2 1 367.990 3.390 20 0 FGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000367092754 499147556 /nfs/dbraw/zinc/14/75/56/499147556.db2.gz HEJPBTXLDYDAQM-HKUYNNGSSA-N 2 1 351.560 3.458 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000369934825 499154050 /nfs/dbraw/zinc/15/40/50/499154050.db2.gz JUSNMUJPSCMPRD-QGZVFWFLSA-N 2 1 366.575 3.245 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000570285433 506133428 /nfs/dbraw/zinc/13/34/28/506133428.db2.gz IGAZJRBSAKUJLA-PKOBYXMFSA-N 2 1 367.497 3.223 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000570285433 506133429 /nfs/dbraw/zinc/13/34/29/506133429.db2.gz IGAZJRBSAKUJLA-PKOBYXMFSA-N 2 1 367.497 3.223 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(Cc4cccc(F)c4)no3)C2)CC1 ZINC000367198798 499160588 /nfs/dbraw/zinc/16/05/88/499160588.db2.gz GBSPXMUCTNMDRX-UHFFFAOYSA-N 2 1 358.461 3.107 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(Cc4cccc(F)c4)no3)C2)CC1 ZINC000367198798 499160591 /nfs/dbraw/zinc/16/05/91/499160591.db2.gz GBSPXMUCTNMDRX-UHFFFAOYSA-N 2 1 358.461 3.107 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779251 499174238 /nfs/dbraw/zinc/17/42/38/499174238.db2.gz CKSIZCIOUGQPSY-YHDSQAASSA-N 2 1 368.525 3.412 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779251 499174240 /nfs/dbraw/zinc/17/42/40/499174240.db2.gz CKSIZCIOUGQPSY-YHDSQAASSA-N 2 1 368.525 3.412 20 0 FGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000372867401 499186661 /nfs/dbraw/zinc/18/66/61/499186661.db2.gz COXFWRLDPMTLJU-ZVDOUQERSA-N 2 1 351.579 3.120 20 0 FGADMP C[N@H+](Cc1cnoc1C1CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000367373476 499190694 /nfs/dbraw/zinc/19/06/94/499190694.db2.gz YTDGVLAIDAMOBF-OAQYLSRUSA-N 2 1 369.509 3.429 20 0 FGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379861 499192217 /nfs/dbraw/zinc/19/22/17/499192217.db2.gz NIYCUHSDUIWPIZ-FQEVSTJZSA-N 2 1 358.530 3.347 20 0 FGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379861 499192219 /nfs/dbraw/zinc/19/22/19/499192219.db2.gz NIYCUHSDUIWPIZ-FQEVSTJZSA-N 2 1 358.530 3.347 20 0 FGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379861 499192222 /nfs/dbraw/zinc/19/22/22/499192222.db2.gz NIYCUHSDUIWPIZ-FQEVSTJZSA-N 2 1 358.530 3.347 20 0 FGADMP C[N@@H+](Cc1ccc(OCC(F)F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000367433103 499198454 /nfs/dbraw/zinc/19/84/54/499198454.db2.gz SQVVIXZUMODIGC-UHFFFAOYSA-N 2 1 368.468 3.406 20 0 FGADMP CN(C)C(=O)Sc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370253136 499202333 /nfs/dbraw/zinc/20/23/33/499202333.db2.gz VPDAPSAYIWWJLF-QRQLOZEOSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370253136 499202335 /nfs/dbraw/zinc/20/23/35/499202335.db2.gz VPDAPSAYIWWJLF-QRQLOZEOSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370253136 499202336 /nfs/dbraw/zinc/20/23/36/499202336.db2.gz VPDAPSAYIWWJLF-QRQLOZEOSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370253136 499202338 /nfs/dbraw/zinc/20/23/38/499202338.db2.gz VPDAPSAYIWWJLF-QRQLOZEOSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370253136 499202339 /nfs/dbraw/zinc/20/23/39/499202339.db2.gz VPDAPSAYIWWJLF-QRQLOZEOSA-N 2 1 359.539 3.376 20 0 FGADMP CCC[C@@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370261763 499203292 /nfs/dbraw/zinc/20/32/92/499203292.db2.gz SASKLAPPQMLINX-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000370632436 499237518 /nfs/dbraw/zinc/23/75/18/499237518.db2.gz ASOWUEZBYLUNNQ-BRWVUGGUSA-N 2 1 365.587 3.462 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000370671805 499242583 /nfs/dbraw/zinc/24/25/83/499242583.db2.gz YMCVWXIPUQTMEJ-CGXNFDGLSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000370671805 499242585 /nfs/dbraw/zinc/24/25/85/499242585.db2.gz YMCVWXIPUQTMEJ-CGXNFDGLSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000370671805 499242587 /nfs/dbraw/zinc/24/25/87/499242587.db2.gz YMCVWXIPUQTMEJ-CGXNFDGLSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000370671805 499242588 /nfs/dbraw/zinc/24/25/88/499242588.db2.gz YMCVWXIPUQTMEJ-CGXNFDGLSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000370671805 499242590 /nfs/dbraw/zinc/24/25/90/499242590.db2.gz YMCVWXIPUQTMEJ-CGXNFDGLSA-N 2 1 351.579 3.120 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367962758 499250173 /nfs/dbraw/zinc/25/01/73/499250173.db2.gz KABLYVSBBNZPNO-IFMALSPDSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367962758 499250176 /nfs/dbraw/zinc/25/01/76/499250176.db2.gz KABLYVSBBNZPNO-IFMALSPDSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367962758 499250177 /nfs/dbraw/zinc/25/01/77/499250177.db2.gz KABLYVSBBNZPNO-IFMALSPDSA-N 2 1 373.504 3.426 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)CC2)[nH+]1 ZINC000370766119 499252679 /nfs/dbraw/zinc/25/26/79/499252679.db2.gz JVCBLQHWGNXHLZ-OXQOHEQNSA-N 2 1 352.482 3.129 20 0 FGADMP CC(C)n1c2ccccc2nc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000368051478 499259551 /nfs/dbraw/zinc/25/95/51/499259551.db2.gz MXSKQCXEIBUJFE-GOSISDBHSA-N 2 1 369.557 3.218 20 0 FGADMP CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370836390 499260430 /nfs/dbraw/zinc/26/04/30/499260430.db2.gz AJJQTSGNULKUIO-CQSZACIVSA-N 2 1 370.324 3.234 20 0 FGADMP CN(C(=O)c1cccc(Cl)c1Cl)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370836390 499260431 /nfs/dbraw/zinc/26/04/31/499260431.db2.gz AJJQTSGNULKUIO-CQSZACIVSA-N 2 1 370.324 3.234 20 0 FGADMP CC(C)[C@@]1(CO)CC[NH+](CCCCCC[N@@H+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000368070602 499261523 /nfs/dbraw/zinc/26/15/23/499261523.db2.gz CWPXRTPQANURFH-VXKWHMMOSA-N 2 1 368.606 3.228 20 0 FGADMP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155535 499269533 /nfs/dbraw/zinc/26/95/33/499269533.db2.gz OTDVJDBLBQJYOG-ICSRJNTNSA-N 2 1 365.521 3.389 20 0 FGADMP CCc1ccsc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371088332 499287330 /nfs/dbraw/zinc/28/73/30/499287330.db2.gz OCKYGICHZMYEQQ-UHFFFAOYSA-N 2 1 363.571 3.237 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000368349035 499287560 /nfs/dbraw/zinc/28/75/60/499287560.db2.gz PZODLMZIFXMBEI-VLIAUNLRSA-N 2 1 366.440 3.067 20 0 FGADMP Cc1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000371094423 499288167 /nfs/dbraw/zinc/28/81/67/499288167.db2.gz PXFKQJFRXYOYTR-UHFFFAOYSA-N 2 1 361.505 3.060 20 0 FGADMP C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421218 499293980 /nfs/dbraw/zinc/29/39/80/499293980.db2.gz BZJFPIDSXLHHHO-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265745 499303913 /nfs/dbraw/zinc/30/39/13/499303913.db2.gz DUPCRYAOGGBPAG-CVEARBPZSA-N 2 1 353.913 3.500 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265745 499303914 /nfs/dbraw/zinc/30/39/14/499303914.db2.gz DUPCRYAOGGBPAG-CVEARBPZSA-N 2 1 353.913 3.500 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610916 499313295 /nfs/dbraw/zinc/31/32/95/499313295.db2.gz GSQAWNHXLPXDBU-LPHOPBHVSA-N 2 1 366.933 3.339 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610916 499313297 /nfs/dbraw/zinc/31/32/97/499313297.db2.gz GSQAWNHXLPXDBU-LPHOPBHVSA-N 2 1 366.933 3.339 20 0 FGADMP CN(C(=O)Nc1cccc2ccccc21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368660020 499318561 /nfs/dbraw/zinc/31/85/61/499318561.db2.gz BBXKPPHSAIAQPB-IBGZPJMESA-N 2 1 366.509 3.472 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1cccc(-c2nccn2C)c1 ZINC000371446805 499327534 /nfs/dbraw/zinc/32/75/34/499327534.db2.gz HDBSDARAQPUGRU-LJQANCHMSA-N 2 1 369.513 3.103 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468347 499330697 /nfs/dbraw/zinc/33/06/97/499330697.db2.gz APSGGKWMDFEZIF-FSSWDIPSSA-N 2 1 351.494 3.432 20 0 FGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2n1 ZINC000368930382 499347718 /nfs/dbraw/zinc/34/77/18/499347718.db2.gz KYGNWDDUXVTNDQ-HTAPYJJXSA-N 2 1 352.526 3.001 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515170 499411236 /nfs/dbraw/zinc/41/12/36/499411236.db2.gz HQMUKSDWYZBQPU-HHXXYDBFSA-N 2 1 374.554 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515170 499411237 /nfs/dbraw/zinc/41/12/37/499411237.db2.gz HQMUKSDWYZBQPU-HHXXYDBFSA-N 2 1 374.554 3.128 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000369678194 499435485 /nfs/dbraw/zinc/43/54/85/499435485.db2.gz LCJIBBKYIQVNOY-UHFFFAOYSA-N 2 1 354.498 3.131 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000369678194 499435487 /nfs/dbraw/zinc/43/54/87/499435487.db2.gz LCJIBBKYIQVNOY-UHFFFAOYSA-N 2 1 354.498 3.131 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378294864 499498687 /nfs/dbraw/zinc/49/86/87/499498687.db2.gz RAOIUXWDNGHQCP-GIVPXCGWSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)N1CC[NH+](CCCN2CC[C@@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000375284769 499502949 /nfs/dbraw/zinc/50/29/49/499502949.db2.gz TYPTZRXMZXZORP-FQEVSTJZSA-N 2 1 369.475 3.251 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398429 499511982 /nfs/dbraw/zinc/51/19/82/499511982.db2.gz RVIQSZCEILWOBS-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398429 499511984 /nfs/dbraw/zinc/51/19/84/499511984.db2.gz RVIQSZCEILWOBS-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398429 499511985 /nfs/dbraw/zinc/51/19/85/499511985.db2.gz RVIQSZCEILWOBS-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1nc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)c2n1CCCC2 ZINC000378425175 499515717 /nfs/dbraw/zinc/51/57/17/499515717.db2.gz FLBXWHLWHWSVNU-MRXNPFEDSA-N 2 1 356.514 3.319 20 0 FGADMP C[N@H+]1CCC[C@H](CNCc2nc(N)c3ccccc3n2)[C@H]1c1ccccc1 ZINC000375472744 499523650 /nfs/dbraw/zinc/52/36/50/499523650.db2.gz UNYPFZPIEHTIHE-DYESRHJHSA-N 2 1 361.493 3.215 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379623662 499542027 /nfs/dbraw/zinc/54/20/27/499542027.db2.gz IMUKAZIZDWGVPD-UEVCKROQSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379623662 499542029 /nfs/dbraw/zinc/54/20/29/499542029.db2.gz IMUKAZIZDWGVPD-UEVCKROQSA-N 2 1 368.521 3.207 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622934 499542356 /nfs/dbraw/zinc/54/23/56/499542356.db2.gz HOUMROKIOJSUNH-BAGYTPMASA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622934 499542357 /nfs/dbraw/zinc/54/23/57/499542357.db2.gz HOUMROKIOJSUNH-BAGYTPMASA-N 2 1 368.521 3.377 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000390918553 499556190 /nfs/dbraw/zinc/55/61/90/499556190.db2.gz WFEIFYGJWIOJLA-IFMALSPDSA-N 2 1 368.521 3.317 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000390918553 499556192 /nfs/dbraw/zinc/55/61/92/499556192.db2.gz WFEIFYGJWIOJLA-IFMALSPDSA-N 2 1 368.521 3.317 20 0 FGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)CCOCC2)cc1 ZINC000375847438 499561657 /nfs/dbraw/zinc/56/16/57/499561657.db2.gz AZMVETFYQXEDHG-NJDAHSKKSA-N 2 1 358.526 3.206 20 0 FGADMP Cn1ccc(N2CC[C@@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)C2)n1 ZINC000375847991 499561854 /nfs/dbraw/zinc/56/18/54/499561854.db2.gz CGTLAWAIEZTEPF-NYLDSWQDSA-N 2 1 367.541 3.032 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000375879738 499564333 /nfs/dbraw/zinc/56/43/33/499564333.db2.gz JAYPTLMRSVNCJU-KRWDZBQOSA-N 2 1 369.513 3.106 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000375889896 499565354 /nfs/dbraw/zinc/56/53/54/499565354.db2.gz LSZZAZDYWRYLPB-IBGZPJMESA-N 2 1 372.944 3.489 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000375889896 499565356 /nfs/dbraw/zinc/56/53/56/499565356.db2.gz LSZZAZDYWRYLPB-IBGZPJMESA-N 2 1 372.944 3.489 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000376059883 499579846 /nfs/dbraw/zinc/57/98/46/499579846.db2.gz YTBYNCWPUFWLKX-LPHOPBHVSA-N 2 1 354.498 3.057 20 0 FGADMP O[C@H](Cc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446135 499596608 /nfs/dbraw/zinc/59/66/08/499596608.db2.gz NKIRJJURZDKTIV-DNVJHFABSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446135 499596609 /nfs/dbraw/zinc/59/66/09/499596609.db2.gz NKIRJJURZDKTIV-DNVJHFABSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000409446135 499596610 /nfs/dbraw/zinc/59/66/10/499596610.db2.gz NKIRJJURZDKTIV-DNVJHFABSA-N 2 1 350.506 3.044 20 0 FGADMP FC(F)(F)Cc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000409449435 499597542 /nfs/dbraw/zinc/59/75/42/499597542.db2.gz BIXMURKATUYEQO-UHFFFAOYSA-N 2 1 360.424 3.262 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)C1 ZINC000410366276 499657739 /nfs/dbraw/zinc/65/77/39/499657739.db2.gz GTOITMBXSNKISM-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP C[C@@H]1CN(Cc2csc(-c3ccco3)n2)CC[N@@H+]1C1CCN(C)CC1 ZINC000377179268 499668224 /nfs/dbraw/zinc/66/82/24/499668224.db2.gz QNHOVFNEXPGUEJ-OAHLLOKOSA-N 2 1 360.527 3.003 20 0 FGADMP C[C@@H]1CN(Cc2csc(-c3ccco3)n2)CC[N@H+]1C1CCN(C)CC1 ZINC000377179268 499668225 /nfs/dbraw/zinc/66/82/25/499668225.db2.gz QNHOVFNEXPGUEJ-OAHLLOKOSA-N 2 1 360.527 3.003 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCCO2 ZINC000377569186 499705704 /nfs/dbraw/zinc/70/57/04/499705704.db2.gz VGXCVEQSIWNCQF-LJQANCHMSA-N 2 1 371.481 3.034 20 0 FGADMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411179218 499707342 /nfs/dbraw/zinc/70/73/42/499707342.db2.gz ZWMKZNMCARLCES-JOCHJYFZSA-N 2 1 369.553 3.411 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573261654 506156149 /nfs/dbraw/zinc/15/61/49/506156149.db2.gz QRIUKMBNENLVJD-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573261654 506156153 /nfs/dbraw/zinc/15/61/53/506156153.db2.gz QRIUKMBNENLVJD-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573261654 506156154 /nfs/dbraw/zinc/15/61/54/506156154.db2.gz QRIUKMBNENLVJD-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377618196 499710928 /nfs/dbraw/zinc/71/09/28/499710928.db2.gz BRHOKMZDTDAEAF-XMSQKQJNSA-N 2 1 357.542 3.032 20 0 FGADMP COCCC1(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377617226 499711191 /nfs/dbraw/zinc/71/11/91/499711191.db2.gz AGZRHYNPVCSNOF-FQEVSTJZSA-N 2 1 351.579 3.074 20 0 FGADMP C[N@H+](Cc1c(Cl)nc2ccccn21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377703970 499722544 /nfs/dbraw/zinc/72/25/44/499722544.db2.gz QSYOGNNKBJILBP-UHFFFAOYSA-N 2 1 355.873 3.484 20 0 FGADMP C[N@@H+](Cc1c(Cl)nc2ccccn21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377703970 499722546 /nfs/dbraw/zinc/72/25/46/499722546.db2.gz QSYOGNNKBJILBP-UHFFFAOYSA-N 2 1 355.873 3.484 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411398182 499734331 /nfs/dbraw/zinc/73/43/31/499734331.db2.gz IYDOWCPMYXZTCJ-FQEVSTJZSA-N 2 1 354.498 3.097 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000411398182 499734332 /nfs/dbraw/zinc/73/43/32/499734332.db2.gz IYDOWCPMYXZTCJ-FQEVSTJZSA-N 2 1 354.498 3.097 20 0 FGADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000411409641 499736429 /nfs/dbraw/zinc/73/64/29/499736429.db2.gz UCKQYLURBWOTDN-YPAWHYETSA-N 2 1 358.526 3.441 20 0 FGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1 ZINC000411415318 499737311 /nfs/dbraw/zinc/73/73/11/499737311.db2.gz MVJSFGRJQSBJFB-XMSQKQJNSA-N 2 1 352.526 3.001 20 0 FGADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1 ZINC000411415318 499737313 /nfs/dbraw/zinc/73/73/13/499737313.db2.gz MVJSFGRJQSBJFB-XMSQKQJNSA-N 2 1 352.526 3.001 20 0 FGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@H+]2CCOCC3(CCOCC3)C2)c1 ZINC000411515054 499750137 /nfs/dbraw/zinc/75/01/37/499750137.db2.gz UKTXJAHQJPHGBL-UHFFFAOYSA-N 2 1 358.526 3.302 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1F ZINC000377969373 499752014 /nfs/dbraw/zinc/75/20/14/499752014.db2.gz OSFNXYUPRMNHEL-CQSZACIVSA-N 2 1 356.445 3.125 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411161 499788313 /nfs/dbraw/zinc/78/83/13/499788313.db2.gz PHGJMAOYCCPQFB-VQIMIIECSA-N 2 1 369.475 3.472 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414529075 499803507 /nfs/dbraw/zinc/80/35/07/499803507.db2.gz PKZQANMJCDKJRM-DXBBTUNJSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCO[C@H](CC)C1 ZINC000414529075 499803508 /nfs/dbraw/zinc/80/35/08/499803508.db2.gz PKZQANMJCDKJRM-DXBBTUNJSA-N 2 1 360.542 3.318 20 0 FGADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414729917 499823838 /nfs/dbraw/zinc/82/38/38/499823838.db2.gz GBTWGHAQMKRRMB-UONOGXRCSA-N 2 1 357.420 3.354 20 0 FGADMP COc1ccc(OCc2nc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cs2)cc1 ZINC000414801895 499832962 /nfs/dbraw/zinc/83/29/62/499832962.db2.gz MJEMHGZNYXLWTC-KBXCAEBGSA-N 2 1 361.511 3.338 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414805871 499833303 /nfs/dbraw/zinc/83/33/03/499833303.db2.gz PXNSVCKJOHAIIP-LKFCYVNXSA-N 2 1 363.811 3.403 20 0 FGADMP Clc1ccc(-n2cc(C[NH2+]CCC[NH2+]Cc3cccnc3)cn2)cc1 ZINC000414881408 499840997 /nfs/dbraw/zinc/84/09/97/499840997.db2.gz RHDVPCTUXDIVIV-UHFFFAOYSA-N 2 1 355.873 3.190 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414931376 499845619 /nfs/dbraw/zinc/84/56/19/499845619.db2.gz BRMZFSJCQVOAJH-DYVFJYSZSA-N 2 1 352.404 3.038 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414939856 499846728 /nfs/dbraw/zinc/84/67/28/499846728.db2.gz BEESGAWKRPNWGH-JSGCOSHPSA-N 2 1 371.319 3.477 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(-c2ccccc2Cl)n1 ZINC000414997076 499853268 /nfs/dbraw/zinc/85/32/68/499853268.db2.gz HBRHRQDKLAZINZ-ZDUSSCGKSA-N 2 1 354.832 3.075 20 0 FGADMP Cc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1C(F)(F)F ZINC000415057263 499859022 /nfs/dbraw/zinc/85/90/22/499859022.db2.gz RQCWMLITXJIORN-UHFFFAOYSA-N 2 1 355.448 3.320 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3C[C@@H](C)[NH2+]Cc4ccccc43)sc2C1 ZINC000415096559 499863055 /nfs/dbraw/zinc/86/30/55/499863055.db2.gz DRHZIFRZDHSONM-OAHLLOKOSA-N 2 1 356.539 3.408 20 0 FGADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CC[NH2+]2)cc1 ZINC000415110792 499865252 /nfs/dbraw/zinc/86/52/52/499865252.db2.gz QQFOCGIRUKBWCQ-SFTDATJTSA-N 2 1 357.542 3.104 20 0 FGADMP COc1ccc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)c(Cl)c1 ZINC000415128124 499867414 /nfs/dbraw/zinc/86/74/14/499867414.db2.gz JRRNKFBYGZVZRQ-UHFFFAOYSA-N 2 1 373.928 3.432 20 0 FGADMP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000415135939 499868753 /nfs/dbraw/zinc/86/87/53/499868753.db2.gz WVMCERLCONFIBC-UKRRQHHQSA-N 2 1 363.303 3.052 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000415135939 499868754 /nfs/dbraw/zinc/86/87/54/499868754.db2.gz WVMCERLCONFIBC-UKRRQHHQSA-N 2 1 363.303 3.052 20 0 FGADMP Clc1ccc2cccnc2c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415144288 499869774 /nfs/dbraw/zinc/86/97/74/499869774.db2.gz VDWJNZVGRKCBNN-AEFFLSMTSA-N 2 1 357.885 3.089 20 0 FGADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000576458320 506163352 /nfs/dbraw/zinc/16/33/52/506163352.db2.gz CYBFWXKNDXUXFO-UKBAYJJMSA-N 2 1 372.557 3.325 20 0 FGADMP C[C@@H]1C[C@H](C)N(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000576458315 506163404 /nfs/dbraw/zinc/16/34/04/506163404.db2.gz CYBFWXKNDXUXFO-KCITZHQASA-N 2 1 372.557 3.325 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000415915593 499927970 /nfs/dbraw/zinc/92/79/70/499927970.db2.gz ZJYLHMGSYAFTLR-PXNSSMCTSA-N 2 1 356.514 3.277 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000415937971 499930805 /nfs/dbraw/zinc/93/08/05/499930805.db2.gz ZUQCLEQHGGXEFJ-HXUWFJFHSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000415937971 499930807 /nfs/dbraw/zinc/93/08/07/499930807.db2.gz ZUQCLEQHGGXEFJ-HXUWFJFHSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000415945964 499931906 /nfs/dbraw/zinc/93/19/06/499931906.db2.gz SGUBRXIOHVIPCM-UHFFFAOYSA-N 2 1 366.509 3.454 20 0 FGADMP CC[C@@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000415982138 499937134 /nfs/dbraw/zinc/93/71/34/499937134.db2.gz DHMPRMWXNJYSDS-NRFANRHFSA-N 2 1 366.509 3.364 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000415988913 499937972 /nfs/dbraw/zinc/93/79/72/499937972.db2.gz JXSBYHSSKLJQHM-UHFFFAOYSA-N 2 1 370.472 3.285 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000415988913 499937973 /nfs/dbraw/zinc/93/79/73/499937973.db2.gz JXSBYHSSKLJQHM-UHFFFAOYSA-N 2 1 370.472 3.285 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417047303 499956920 /nfs/dbraw/zinc/95/69/20/499956920.db2.gz QBBGDWZSWGWUAF-KDURUIRLSA-N 2 1 366.594 3.295 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000417118803 499977289 /nfs/dbraw/zinc/97/72/89/499977289.db2.gz SFYOHGAEZNSZFF-GJZGRUSLSA-N 2 1 372.538 3.014 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000417118803 499977291 /nfs/dbraw/zinc/97/72/91/499977291.db2.gz SFYOHGAEZNSZFF-GJZGRUSLSA-N 2 1 372.538 3.014 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000429000444 499978594 /nfs/dbraw/zinc/97/85/94/499978594.db2.gz TZBNKWXZWVNYRM-LJQANCHMSA-N 2 1 350.890 3.071 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000429229657 500027713 /nfs/dbraw/zinc/02/77/13/500027713.db2.gz UQAXRIMXOMGHLO-KRWDZBQOSA-N 2 1 374.504 3.344 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000429229657 500027716 /nfs/dbraw/zinc/02/77/16/500027716.db2.gz UQAXRIMXOMGHLO-KRWDZBQOSA-N 2 1 374.504 3.344 20 0 FGADMP Cc1cc(CC(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000429262416 500037231 /nfs/dbraw/zinc/03/72/31/500037231.db2.gz FNUYVWHDVLQDIZ-INIZCTEOSA-N 2 1 369.347 3.123 20 0 FGADMP Cc1cc(CC(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000429262416 500037234 /nfs/dbraw/zinc/03/72/34/500037234.db2.gz FNUYVWHDVLQDIZ-INIZCTEOSA-N 2 1 369.347 3.123 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417375293 500052675 /nfs/dbraw/zinc/05/26/75/500052675.db2.gz BVCZPQIOSGCIFD-QUCCMNQESA-N 2 1 360.542 3.197 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000417375293 500052677 /nfs/dbraw/zinc/05/26/77/500052677.db2.gz BVCZPQIOSGCIFD-QUCCMNQESA-N 2 1 360.542 3.197 20 0 FGADMP C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429502386 500088925 /nfs/dbraw/zinc/08/89/25/500088925.db2.gz ZPSCPJJCLXHZLC-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP COC(=O)[C@H](CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419349 500099858 /nfs/dbraw/zinc/09/98/58/500099858.db2.gz KYVIHJKOFCHZOX-TYPHKJRUSA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419349 500099863 /nfs/dbraw/zinc/09/98/63/500099863.db2.gz KYVIHJKOFCHZOX-TYPHKJRUSA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419349 500099867 /nfs/dbraw/zinc/09/98/67/500099867.db2.gz KYVIHJKOFCHZOX-TYPHKJRUSA-N 2 1 356.510 3.282 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564933 500104506 /nfs/dbraw/zinc/10/45/06/500104506.db2.gz HDIVHCZUWHBUBM-WIYYLYMNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564933 500104507 /nfs/dbraw/zinc/10/45/07/500104507.db2.gz HDIVHCZUWHBUBM-WIYYLYMNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564933 500104509 /nfs/dbraw/zinc/10/45/09/500104509.db2.gz HDIVHCZUWHBUBM-WIYYLYMNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564930 500104536 /nfs/dbraw/zinc/10/45/36/500104536.db2.gz HDIVHCZUWHBUBM-RXVVDRJESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564930 500104539 /nfs/dbraw/zinc/10/45/39/500104539.db2.gz HDIVHCZUWHBUBM-RXVVDRJESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564930 500104541 /nfs/dbraw/zinc/10/45/41/500104541.db2.gz HDIVHCZUWHBUBM-RXVVDRJESA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675162 500146289 /nfs/dbraw/zinc/14/62/89/500146289.db2.gz BHCQVJGYOVLRNP-FXAWDEMLSA-N 2 1 374.573 3.276 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104460 500154328 /nfs/dbraw/zinc/15/43/28/500154328.db2.gz FVXCVJRGMUYHKC-YLJYHZDGSA-N 2 1 354.494 3.421 20 0 FGADMP COc1ccc([C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421826836 500161225 /nfs/dbraw/zinc/16/12/25/500161225.db2.gz UWDSHXWBISCUBI-OAQYLSRUSA-N 2 1 365.537 3.395 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000421867961 500166209 /nfs/dbraw/zinc/16/62/09/500166209.db2.gz PTWBJWRMFCWTPW-MJUUVYJYSA-N 2 1 358.526 3.071 20 0 FGADMP C[C@H](CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000417791500 500172717 /nfs/dbraw/zinc/17/27/17/500172717.db2.gz AAPYEKKSUZTIJK-LJQANCHMSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[C@H](NCc2ccc(F)cc2I)CC[N@H+]1C ZINC000417959125 500204768 /nfs/dbraw/zinc/20/47/68/500204768.db2.gz LKKHPAJBLSYUAY-ZWNOBZJWSA-N 2 1 362.230 3.003 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000416984343 500174774 /nfs/dbraw/zinc/17/47/74/500174774.db2.gz HBMROHAEGLBAON-LVCYWYKZSA-N 2 1 372.557 3.106 20 0 FGADMP CCCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417808521 500176619 /nfs/dbraw/zinc/17/66/19/500176619.db2.gz FNRINXSTDAMFKQ-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000417856608 500185038 /nfs/dbraw/zinc/18/50/38/500185038.db2.gz MZEPSWQCMZNNKG-BEFAXECRSA-N 2 1 357.502 3.257 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000417870430 500187941 /nfs/dbraw/zinc/18/79/41/500187941.db2.gz FXXVAQKMPZVZDJ-YLJYHZDGSA-N 2 1 360.546 3.187 20 0 FGADMP CC[N@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000430073611 500188455 /nfs/dbraw/zinc/18/84/55/500188455.db2.gz YDUIMEFOGCDGAP-UHFFFAOYSA-N 2 1 363.509 3.410 20 0 FGADMP CC[N@@H+](Cc1cnnn1Cc1ccccc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000430073611 500188457 /nfs/dbraw/zinc/18/84/57/500188457.db2.gz YDUIMEFOGCDGAP-UHFFFAOYSA-N 2 1 363.509 3.410 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417889584 500193079 /nfs/dbraw/zinc/19/30/79/500193079.db2.gz YUCXMVUPUKPEME-QGZVFWFLSA-N 2 1 371.550 3.452 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417889584 500193082 /nfs/dbraw/zinc/19/30/82/500193082.db2.gz YUCXMVUPUKPEME-QGZVFWFLSA-N 2 1 371.550 3.452 20 0 FGADMP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417992485 500211238 /nfs/dbraw/zinc/21/12/38/500211238.db2.gz MQAJLQMTXYSWET-HKUYNNGSSA-N 2 1 364.578 3.190 20 0 FGADMP CC1=C[C@H](C)C[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260976 500217797 /nfs/dbraw/zinc/21/77/97/500217797.db2.gz IBCSBPKRLNGMRH-PKOBYXMFSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156838 500238734 /nfs/dbraw/zinc/23/87/34/500238734.db2.gz NPJYOHPLXKPHEN-IHPCNDPISA-N 2 1 372.557 3.056 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000418166629 500241056 /nfs/dbraw/zinc/24/10/56/500241056.db2.gz ZOAYIYZIGQDAAG-WOJBJXKFSA-N 2 1 372.557 3.071 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000576555145 506184912 /nfs/dbraw/zinc/18/49/12/506184912.db2.gz RBKBFOQDWYDIKI-HSALFYBXSA-N 2 1 350.510 3.148 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000576555145 506184914 /nfs/dbraw/zinc/18/49/14/506184914.db2.gz RBKBFOQDWYDIKI-HSALFYBXSA-N 2 1 350.510 3.148 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000430557791 500254131 /nfs/dbraw/zinc/25/41/31/500254131.db2.gz XECBWTBLCCEMPL-DENIHFKCSA-N 2 1 371.569 3.225 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000430557791 500254134 /nfs/dbraw/zinc/25/41/34/500254134.db2.gz XECBWTBLCCEMPL-DENIHFKCSA-N 2 1 371.569 3.225 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418240129 500254248 /nfs/dbraw/zinc/25/42/48/500254248.db2.gz PHHDGFZHKFWIPF-UXHICEINSA-N 2 1 360.546 3.105 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000418253612 500255818 /nfs/dbraw/zinc/25/58/18/500255818.db2.gz ZEWAUJSNQJUSGI-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325644 500262544 /nfs/dbraw/zinc/26/25/44/500262544.db2.gz JKKXGOQLYHJPQB-UXPWSPDFSA-N 2 1 360.546 3.182 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413486 500270753 /nfs/dbraw/zinc/27/07/53/500270753.db2.gz WWDUZCUOTOCZRG-PXNSSMCTSA-N 2 1 355.526 3.393 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418410219 500273275 /nfs/dbraw/zinc/27/32/75/500273275.db2.gz OMLUDZRABQCSBA-RTWAWAEBSA-N 2 1 372.557 3.058 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418435736 500276770 /nfs/dbraw/zinc/27/67/70/500276770.db2.gz IBGJRGMQWHFIPJ-MJGOQNOKSA-N 2 1 360.546 3.198 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418458371 500279553 /nfs/dbraw/zinc/27/95/53/500279553.db2.gz FMVCBQMKWIKCBV-WOJBJXKFSA-N 2 1 360.546 3.058 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418461663 500280006 /nfs/dbraw/zinc/28/00/06/500280006.db2.gz JFBPMAYXMADVBS-IEBWSBKVSA-N 2 1 352.567 3.190 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C[C@H]1C ZINC000418482515 500282089 /nfs/dbraw/zinc/28/20/89/500282089.db2.gz FBTWXGLEMKFHDN-CZAAIQMYSA-N 2 1 368.525 3.354 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625822 500282820 /nfs/dbraw/zinc/28/28/20/500282820.db2.gz COYYJMWININKAV-KYHPRHEASA-N 2 1 357.498 3.257 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625822 500282823 /nfs/dbraw/zinc/28/28/23/500282823.db2.gz COYYJMWININKAV-KYHPRHEASA-N 2 1 357.498 3.257 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@@H]3C)n2)cc1F ZINC000422641649 500285373 /nfs/dbraw/zinc/28/53/73/500285373.db2.gz YETDHZWQKPNBKH-ZOBUZTSGSA-N 2 1 360.477 3.422 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000430812190 500289508 /nfs/dbraw/zinc/28/95/08/500289508.db2.gz UWVZAEZGDKLESQ-YLAKUSLOSA-N 2 1 363.571 3.273 20 0 FGADMP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422723045 500289692 /nfs/dbraw/zinc/28/96/92/500289692.db2.gz ZLJFMPSKICXIML-NUEKZKHPSA-N 2 1 373.722 3.349 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422745631 500293323 /nfs/dbraw/zinc/29/33/23/500293323.db2.gz MPXOICSOSCCVLY-PMXSJFBMSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422820152 500301745 /nfs/dbraw/zinc/30/17/45/500301745.db2.gz PEHVWSDYTQGOHA-GOSISDBHSA-N 3 1 368.525 3.216 20 0 FGADMP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000422820313 500301899 /nfs/dbraw/zinc/30/18/99/500301899.db2.gz PXEMRNALSKGRFO-DENIHFKCSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422820313 500301901 /nfs/dbraw/zinc/30/19/01/500301901.db2.gz PXEMRNALSKGRFO-DENIHFKCSA-N 2 1 359.558 3.178 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422831665 500303584 /nfs/dbraw/zinc/30/35/84/500303584.db2.gz XBSNSVIBDBTABB-NJDAHSKKSA-N 2 1 374.525 3.263 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000426663936 500303673 /nfs/dbraw/zinc/30/36/73/500303673.db2.gz OJTCCMIKNOWTRV-RBBKRZOGSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418665358 500303996 /nfs/dbraw/zinc/30/39/96/500303996.db2.gz CAGCFYHIHKCMNR-QZTJIDSGSA-N 2 1 352.567 3.190 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837642 500304448 /nfs/dbraw/zinc/30/44/48/500304448.db2.gz MQTFMTLELFSHGW-NQIIRXRSSA-N 2 1 359.558 3.044 20 0 FGADMP C[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000418671037 500305288 /nfs/dbraw/zinc/30/52/88/500305288.db2.gz LEJGSCGJDYMSAH-SFTDATJTSA-N 2 1 366.509 3.165 20 0 FGADMP C[N@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000418671037 500305290 /nfs/dbraw/zinc/30/52/90/500305290.db2.gz LEJGSCGJDYMSAH-SFTDATJTSA-N 2 1 366.509 3.165 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422867802 500307180 /nfs/dbraw/zinc/30/71/80/500307180.db2.gz SZXKPBGGGGIVPZ-BRWVUGGUSA-N 2 1 372.431 3.183 20 0 FGADMP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422867317 500307509 /nfs/dbraw/zinc/30/75/09/500307509.db2.gz SDMZFBONKYUCHY-DYESRHJHSA-N 2 1 360.546 3.373 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422885193 500310608 /nfs/dbraw/zinc/31/06/08/500310608.db2.gz YLICAZQKWIPBMD-CABCVRRESA-N 2 1 355.457 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887305 500311009 /nfs/dbraw/zinc/31/10/09/500311009.db2.gz AZAUFJDTTVGARK-OVNVTHAWSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422887305 500311012 /nfs/dbraw/zinc/31/10/12/500311012.db2.gz AZAUFJDTTVGARK-OVNVTHAWSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422887305 500311014 /nfs/dbraw/zinc/31/10/14/500311014.db2.gz AZAUFJDTTVGARK-OVNVTHAWSA-N 2 1 371.569 3.021 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418715877 500311970 /nfs/dbraw/zinc/31/19/70/500311970.db2.gz BPOYHTCFPUKGRB-PWRODBHTSA-N 2 1 372.557 3.058 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418716627 500311975 /nfs/dbraw/zinc/31/19/75/500311975.db2.gz JGFNRWJMCRUZLD-NHCUHLMSSA-N 2 1 372.557 3.058 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422893648 500312075 /nfs/dbraw/zinc/31/20/75/500312075.db2.gz QVSQRZGVQXGPDX-FDFHNCONSA-N 2 1 359.558 3.418 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000430952368 500312176 /nfs/dbraw/zinc/31/21/76/500312176.db2.gz PQXTWPBODVEQGS-VIFPVBQESA-N 2 1 371.304 3.120 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422902734 500313787 /nfs/dbraw/zinc/31/37/87/500313787.db2.gz NHRIIYLSCYJNPS-KPFFTGBYSA-N 2 1 359.514 3.205 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)c2ccccc21 ZINC000422900460 500313965 /nfs/dbraw/zinc/31/39/65/500313965.db2.gz JHDOUUQOJWGLRR-HFBAOOFYSA-N 2 1 367.276 3.468 20 0 FGADMP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418780669 500322688 /nfs/dbraw/zinc/32/26/88/500322688.db2.gz YOPKGHFXYGCZDJ-GIVPXCGWSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422967966 500324587 /nfs/dbraw/zinc/32/45/87/500324587.db2.gz PZZRZACTHCSKDD-FDDCHVKYSA-N 2 1 368.521 3.430 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3cccc(F)c3)CC2)C[C@H](C)O1 ZINC000426821330 500324947 /nfs/dbraw/zinc/32/49/47/500324947.db2.gz RUJDYCFWYIQLJB-HDICACEKSA-N 2 1 364.505 3.416 20 0 FGADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422972810 500325999 /nfs/dbraw/zinc/32/59/99/500325999.db2.gz AJKKUPAEGNNXNE-ZRNYENFQSA-N 2 1 360.448 3.307 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431033584 500326422 /nfs/dbraw/zinc/32/64/22/500326422.db2.gz JATKFNGNGSGRBZ-QGZVFWFLSA-N 2 1 370.541 3.230 20 0 FGADMP CCC[N@@H+](CCC(=O)Nc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000431086123 500334149 /nfs/dbraw/zinc/33/41/49/500334149.db2.gz RZTDHEQQDZKWFL-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423062038 500337293 /nfs/dbraw/zinc/33/72/93/500337293.db2.gz MGUFDCCOAHWKBS-HRCADAONSA-N 2 1 353.304 3.468 20 0 FGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423123288 500345277 /nfs/dbraw/zinc/34/52/77/500345277.db2.gz MGZFNAKGMFCPDL-WNRNVDISSA-N 2 1 356.432 3.154 20 0 FGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000423148051 500348417 /nfs/dbraw/zinc/34/84/17/500348417.db2.gz FCJLOKPOWRBXED-SLFFLAALSA-N 2 1 370.541 3.329 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056366 500349130 /nfs/dbraw/zinc/34/91/30/500349130.db2.gz FEZHTTZCZGIYEL-BVSLBCMMSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056366 500349133 /nfs/dbraw/zinc/34/91/33/500349133.db2.gz FEZHTTZCZGIYEL-BVSLBCMMSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056366 500349136 /nfs/dbraw/zinc/34/91/36/500349136.db2.gz FEZHTTZCZGIYEL-BVSLBCMMSA-N 2 1 367.537 3.126 20 0 FGADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1Cl ZINC000423157967 500349945 /nfs/dbraw/zinc/34/99/45/500349945.db2.gz NEONZZGFOSWQRU-XKQJLSEDSA-N 2 1 359.297 3.119 20 0 FGADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423169433 500350356 /nfs/dbraw/zinc/35/03/56/500350356.db2.gz JRYNAGMIHFRXMR-NWANDNLSSA-N 2 1 373.722 3.349 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000427135214 500357516 /nfs/dbraw/zinc/35/75/16/500357516.db2.gz IBGBVYCZVPDBEG-ZBFHGGJFSA-N 2 1 350.388 3.075 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000423262237 500359364 /nfs/dbraw/zinc/35/93/64/500359364.db2.gz MBNKICKAITUWSK-KSSFIOAISA-N 2 1 353.532 3.006 20 0 FGADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423285837 500361785 /nfs/dbraw/zinc/36/17/85/500361785.db2.gz YUXMRPBMXAKTPI-MGPUTAFESA-N 2 1 350.466 3.301 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000423306575 500363105 /nfs/dbraw/zinc/36/31/05/500363105.db2.gz LVSSFPDSORFEIZ-LJQANCHMSA-N 2 1 359.901 3.135 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000423317907 500363849 /nfs/dbraw/zinc/36/38/49/500363849.db2.gz BFHRQWUKUXDLEF-SFTDATJTSA-N 2 1 358.526 3.470 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000423356492 500366649 /nfs/dbraw/zinc/36/66/49/500366649.db2.gz JYPIZLSPXGYVFX-CVEARBPZSA-N 2 1 357.523 3.410 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000423389460 500369453 /nfs/dbraw/zinc/36/94/53/500369453.db2.gz VATKGFULHVFYSM-UZLBHIALSA-N 2 1 359.514 3.316 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423407646 500371721 /nfs/dbraw/zinc/37/17/21/500371721.db2.gz MWGHGCPTOCRXJM-IEBWSBKVSA-N 2 1 351.494 3.300 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427274246 500376208 /nfs/dbraw/zinc/37/62/08/500376208.db2.gz LJFGVDVAHCXIAH-RBUKOAKNSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427274792 500377022 /nfs/dbraw/zinc/37/70/22/500377022.db2.gz NROGTGJLDUIEBF-OALUTQOASA-N 2 1 357.542 3.457 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576582225 506192051 /nfs/dbraw/zinc/19/20/51/506192051.db2.gz VEVUYXOXRHEWHC-XVGQJIODSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576582225 506192054 /nfs/dbraw/zinc/19/20/54/506192054.db2.gz VEVUYXOXRHEWHC-XVGQJIODSA-N 2 1 367.896 3.120 20 0 FGADMP Clc1ccccc1C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CC1 ZINC000423511401 500380622 /nfs/dbraw/zinc/38/06/22/500380622.db2.gz OVSMNVUWBQZRLS-GZNCHQMQSA-N 2 1 361.961 3.467 20 0 FGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423516314 500381150 /nfs/dbraw/zinc/38/11/50/500381150.db2.gz WMSAZUISFXYFPV-MNNVXMFVSA-N 2 1 351.485 3.092 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000427332804 500382050 /nfs/dbraw/zinc/38/20/50/500382050.db2.gz VNFWUOKYMWXHQE-NFBKMPQASA-N 2 1 369.553 3.281 20 0 FGADMP C[C@@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(C2CC2)cc1 ZINC000419590157 500382153 /nfs/dbraw/zinc/38/21/53/500382153.db2.gz SWXIFHKBSGLDAP-QGZVFWFLSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C2CC2)cc1 ZINC000419590157 500382156 /nfs/dbraw/zinc/38/21/56/500382156.db2.gz SWXIFHKBSGLDAP-QGZVFWFLSA-N 2 1 372.557 3.292 20 0 FGADMP COc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652414 500403399 /nfs/dbraw/zinc/40/33/99/500403399.db2.gz CEKFGNQLPGPEER-CTNGQTDRSA-N 2 1 373.541 3.213 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673744 500406898 /nfs/dbraw/zinc/40/68/98/500406898.db2.gz PKRAHSJBTLURSH-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673744 500406900 /nfs/dbraw/zinc/40/69/00/500406900.db2.gz PKRAHSJBTLURSH-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673744 500406902 /nfs/dbraw/zinc/40/69/02/500406902.db2.gz PKRAHSJBTLURSH-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000431757351 500420396 /nfs/dbraw/zinc/42/03/96/500420396.db2.gz CBYOQCAPRPMXDG-NRFANRHFSA-N 2 1 357.542 3.340 20 0 FGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N[C@H]2CC[NH2+]C2)n1 ZINC000420156546 500422468 /nfs/dbraw/zinc/42/24/68/500422468.db2.gz VWFNYDRMECLKJA-AWEZNQCLSA-N 2 1 353.495 3.194 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420305638 500438100 /nfs/dbraw/zinc/43/81/00/500438100.db2.gz GURLKGMUQNZFNK-HIFRSBDPSA-N 2 1 357.454 3.023 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420305638 500438102 /nfs/dbraw/zinc/43/81/02/500438102.db2.gz GURLKGMUQNZFNK-HIFRSBDPSA-N 2 1 357.454 3.023 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313165 500438883 /nfs/dbraw/zinc/43/88/83/500438883.db2.gz XPRMJHFRRVGGKQ-FPOVZHCZSA-N 2 1 354.494 3.276 20 0 FGADMP Ic1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312407 500438992 /nfs/dbraw/zinc/43/89/92/500438992.db2.gz WXWXNHIHEHGRAH-CZUORRHYSA-N 2 1 370.278 3.428 20 0 FGADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431897110 500440412 /nfs/dbraw/zinc/44/04/12/500440412.db2.gz XSELLXKETKBBRT-JOCHJYFZSA-N 2 1 369.553 3.348 20 0 FGADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431897110 500440416 /nfs/dbraw/zinc/44/04/16/500440416.db2.gz XSELLXKETKBBRT-JOCHJYFZSA-N 2 1 369.553 3.348 20 0 FGADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431897110 500440418 /nfs/dbraw/zinc/44/04/18/500440418.db2.gz XSELLXKETKBBRT-JOCHJYFZSA-N 2 1 369.553 3.348 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317657 500441194 /nfs/dbraw/zinc/44/11/94/500441194.db2.gz NPBXXBIWCZDQCS-VQIMIIECSA-N 2 1 365.481 3.011 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328841 500442896 /nfs/dbraw/zinc/44/28/96/500442896.db2.gz NCJAZGRHXBJNBF-CVEARBPZSA-N 2 1 360.889 3.254 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337879 500443946 /nfs/dbraw/zinc/44/39/46/500443946.db2.gz KFOCBANVGPWZKX-VDGAXYAQSA-N 2 1 357.542 3.460 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338274 500444101 /nfs/dbraw/zinc/44/41/01/500444101.db2.gz KNZKHGRQQAKKDL-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338274 500444104 /nfs/dbraw/zinc/44/41/04/500444104.db2.gz KNZKHGRQQAKKDL-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP c1ccc(-n2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335921 500444278 /nfs/dbraw/zinc/44/42/78/500444278.db2.gz VHSSSAYPZGWFNZ-MSOLQXFVSA-N 2 1 350.510 3.183 20 0 FGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340625 500444649 /nfs/dbraw/zinc/44/46/49/500444649.db2.gz MXHYUCZGEBIBKA-QEJZJMRPSA-N 2 1 360.527 3.396 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000420374499 500450359 /nfs/dbraw/zinc/45/03/59/500450359.db2.gz NUIUHRIWRDJPEM-VQIMIIECSA-N 2 1 359.539 3.178 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420382697 500451865 /nfs/dbraw/zinc/45/18/65/500451865.db2.gz ZXXWRZABHFAPMY-INIZCTEOSA-N 2 1 353.894 3.174 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420387168 500453767 /nfs/dbraw/zinc/45/37/67/500453767.db2.gz JWOZQUUCRNUMOU-CTNGQTDRSA-N 2 1 360.498 3.006 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420398850 500455705 /nfs/dbraw/zinc/45/57/05/500455705.db2.gz HCPRIUDGNNNEQI-QFUCXCTJSA-N 2 1 373.541 3.056 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420398850 500455707 /nfs/dbraw/zinc/45/57/07/500455707.db2.gz HCPRIUDGNNNEQI-QFUCXCTJSA-N 2 1 373.541 3.056 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285175 500481274 /nfs/dbraw/zinc/48/12/74/500481274.db2.gz FKHUMTLPDRJNIS-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288630 500481886 /nfs/dbraw/zinc/48/18/86/500481886.db2.gz KUTHLVIMBUGDRL-QAPCUYQASA-N 2 1 363.571 3.416 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCOc1cc(F)cc(Br)c1)CC[NH2+]CC2 ZINC000424286678 500481914 /nfs/dbraw/zinc/48/19/14/500481914.db2.gz HRPILWIFVRQQFJ-CYBMUJFWSA-N 2 1 371.294 3.431 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287644 500481961 /nfs/dbraw/zinc/48/19/61/500481961.db2.gz JIOMECSGSAPMEE-LAUBAEHRSA-N 2 1 355.526 3.026 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305496 500484055 /nfs/dbraw/zinc/48/40/55/500484055.db2.gz SLRJLQNFANSHIT-GDBMZVCRSA-N 2 1 361.427 3.074 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)CC1 ZINC000420786022 500501195 /nfs/dbraw/zinc/50/11/95/500501195.db2.gz BIZAADBBBSAWOX-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420792144 500501988 /nfs/dbraw/zinc/50/19/88/500501988.db2.gz HLNIWOJFDXQKJW-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000420792144 500501989 /nfs/dbraw/zinc/50/19/89/500501989.db2.gz HLNIWOJFDXQKJW-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000420792144 500501990 /nfs/dbraw/zinc/50/19/90/500501990.db2.gz HLNIWOJFDXQKJW-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000424427696 500502958 /nfs/dbraw/zinc/50/29/58/500502958.db2.gz QKHIZWHTQHSCJJ-UZLBHIALSA-N 2 1 352.482 3.238 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432408338 500512296 /nfs/dbraw/zinc/51/22/96/500512296.db2.gz BCKISSSTTPIAGE-DLBZAZTESA-N 2 1 371.525 3.124 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432408338 500512297 /nfs/dbraw/zinc/51/22/97/500512297.db2.gz BCKISSSTTPIAGE-DLBZAZTESA-N 2 1 371.525 3.124 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413814 500513716 /nfs/dbraw/zinc/51/37/16/500513716.db2.gz IGQOXZDAQQFCJJ-HOTGVXAUSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413814 500513718 /nfs/dbraw/zinc/51/37/18/500513718.db2.gz IGQOXZDAQQFCJJ-HOTGVXAUSA-N 2 1 367.921 3.148 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432420661 500514035 /nfs/dbraw/zinc/51/40/35/500514035.db2.gz CLABMPIKICETCJ-ROUUACIJSA-N 2 1 355.526 3.424 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432420661 500514039 /nfs/dbraw/zinc/51/40/39/500514039.db2.gz CLABMPIKICETCJ-ROUUACIJSA-N 2 1 355.526 3.424 20 0 FGADMP COc1ccccc1CC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897129 500524923 /nfs/dbraw/zinc/52/49/23/500524923.db2.gz AJCQAXCUXRKWLB-UHFFFAOYSA-N 2 1 354.494 3.202 20 0 FGADMP COc1ccccc1CC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420897129 500524925 /nfs/dbraw/zinc/52/49/25/500524925.db2.gz AJCQAXCUXRKWLB-UHFFFAOYSA-N 2 1 354.494 3.202 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000428573630 500529049 /nfs/dbraw/zinc/52/90/49/500529049.db2.gz PFSZBEDRVSDMLD-NHCUHLMSSA-N 2 1 357.473 3.150 20 0 FGADMP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420920500 500530627 /nfs/dbraw/zinc/53/06/27/500530627.db2.gz JVPQVCASNZZOLJ-FQEVSTJZSA-N 2 1 374.525 3.073 20 0 FGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420920405 500531347 /nfs/dbraw/zinc/53/13/47/500531347.db2.gz JQGPGYZFHBFVOY-QHCPKHFHSA-N 2 1 368.521 3.208 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420941628 500537309 /nfs/dbraw/zinc/53/73/09/500537309.db2.gz TWNQTMDYPGZBKE-VIZSFHNOSA-N 2 1 371.569 3.356 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1(CO)CCCC1 ZINC000420956757 500540457 /nfs/dbraw/zinc/54/04/57/500540457.db2.gz ATDDGQGJPONXFM-OAQYLSRUSA-N 2 1 360.542 3.186 20 0 FGADMP CCCCN(CC)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432664704 500545779 /nfs/dbraw/zinc/54/57/79/500545779.db2.gz NYWJBNKWSHGMLR-GOSISDBHSA-N 2 1 363.571 3.341 20 0 FGADMP CCCCN(CC)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432664704 500545781 /nfs/dbraw/zinc/54/57/81/500545781.db2.gz NYWJBNKWSHGMLR-GOSISDBHSA-N 2 1 363.571 3.341 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@H+](Cc3nc4ccccc4s3)CC2)CC1 ZINC000420985604 500548350 /nfs/dbraw/zinc/54/83/50/500548350.db2.gz WLARFJSWROAAKX-UHFFFAOYSA-N 2 1 358.555 3.288 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3nc4ccccc4s3)CC2)CC1 ZINC000420985604 500548352 /nfs/dbraw/zinc/54/83/52/500548352.db2.gz WLARFJSWROAAKX-UHFFFAOYSA-N 2 1 358.555 3.288 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000421061932 500568585 /nfs/dbraw/zinc/56/85/85/500568585.db2.gz GKOIQJDIJWEORI-LJQANCHMSA-N 2 1 374.529 3.109 20 0 FGADMP CSC1(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC[NH+](C)CC1 ZINC000570607613 506204235 /nfs/dbraw/zinc/20/42/35/506204235.db2.gz FFBNWBFMBYDCRD-SFHVURJKSA-N 2 1 360.502 3.122 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000447345932 500594755 /nfs/dbraw/zinc/59/47/55/500594755.db2.gz SHRBXCMBEDJWRN-IBGZPJMESA-N 2 1 358.530 3.163 20 0 FGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000447406896 500602124 /nfs/dbraw/zinc/60/21/24/500602124.db2.gz XSUXBZRIIQSORV-SIKLNZKXSA-N 2 1 367.537 3.277 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000442646358 500608233 /nfs/dbraw/zinc/60/82/33/500608233.db2.gz JOQSGVGGCNQVMC-IBGZPJMESA-N 2 1 361.489 3.257 20 0 FGADMP CNC(=O)C1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447540687 500620836 /nfs/dbraw/zinc/62/08/36/500620836.db2.gz KFJCUODRQDYMBY-SMCZBRLRSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442867173 500636202 /nfs/dbraw/zinc/63/62/02/500636202.db2.gz KNOPCGSSMFFVOU-HNNXBMFYSA-N 2 1 357.464 3.252 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442877912 500639061 /nfs/dbraw/zinc/63/90/61/500639061.db2.gz RTIABAZEAWDXNV-OAHLLOKOSA-N 2 1 357.464 3.252 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000442917672 500646633 /nfs/dbraw/zinc/64/66/33/500646633.db2.gz BBMZERBJNXGJGO-CQSZACIVSA-N 2 1 352.404 3.452 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437749493 500689788 /nfs/dbraw/zinc/68/97/88/500689788.db2.gz NLPQMWMJMNPCLX-IBGZPJMESA-N 2 1 361.534 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437749493 500689792 /nfs/dbraw/zinc/68/97/92/500689792.db2.gz NLPQMWMJMNPCLX-IBGZPJMESA-N 2 1 361.534 3.068 20 0 FGADMP C[N@H+](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@H]1CCSC1 ZINC000443209816 500696616 /nfs/dbraw/zinc/69/66/16/500696616.db2.gz GMKGYAZWTUAVQS-KRWDZBQOSA-N 2 1 358.511 3.270 20 0 FGADMP C[N@@H+](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@H]1CCSC1 ZINC000443209816 500696618 /nfs/dbraw/zinc/69/66/18/500696618.db2.gz GMKGYAZWTUAVQS-KRWDZBQOSA-N 2 1 358.511 3.270 20 0 FGADMP Cn1c(NCc2ccc(OCCC[NH+](C)C)cc2)[nH+]c2cccc(F)c21 ZINC000443510669 500731999 /nfs/dbraw/zinc/73/19/99/500731999.db2.gz QNGQSEFZTSIKKW-UHFFFAOYSA-N 2 1 356.445 3.077 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215798 500733925 /nfs/dbraw/zinc/73/39/25/500733925.db2.gz ZTRHTDICBWLALF-CTNGQTDRSA-N 2 1 374.573 3.265 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+]CCCCOc3ccccc3)cc2)CC1 ZINC000438088833 500736215 /nfs/dbraw/zinc/73/62/15/500736215.db2.gz LWEAWYLATTVTPU-UHFFFAOYSA-N 2 1 367.537 3.383 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438169889 500749729 /nfs/dbraw/zinc/74/97/29/500749729.db2.gz XYJOBYWNXHLSIQ-FQEVSTJZSA-N 2 1 364.578 3.205 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438169892 500749916 /nfs/dbraw/zinc/74/99/16/500749916.db2.gz XYJOBYWNXHLSIQ-HXUWFJFHSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H](NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678815 500754965 /nfs/dbraw/zinc/75/49/65/500754965.db2.gz DIZWNERTNDYYSU-ICSRJNTNSA-N 2 1 374.573 3.269 20 0 FGADMP COCCN(Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@H]1CCCSC1 ZINC000448370933 500755075 /nfs/dbraw/zinc/75/50/75/500755075.db2.gz BKSUPRPVPHMWQY-HNNXBMFYSA-N 2 1 369.600 3.254 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438344942 500774565 /nfs/dbraw/zinc/77/45/65/500774565.db2.gz KIPZDFOUNRVFHL-AQNXPRMDSA-N 2 1 362.562 3.052 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438344942 500774566 /nfs/dbraw/zinc/77/45/66/500774566.db2.gz KIPZDFOUNRVFHL-AQNXPRMDSA-N 2 1 362.562 3.052 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438344942 500774569 /nfs/dbraw/zinc/77/45/69/500774569.db2.gz KIPZDFOUNRVFHL-AQNXPRMDSA-N 2 1 362.562 3.052 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000448638900 500792564 /nfs/dbraw/zinc/79/25/64/500792564.db2.gz OMQFZSXXPYXDAU-HXUWFJFHSA-N 2 1 363.465 3.080 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445435 500843860 /nfs/dbraw/zinc/84/38/60/500843860.db2.gz OESCNDLBYMBEJB-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445435 500843865 /nfs/dbraw/zinc/84/38/65/500843865.db2.gz OESCNDLBYMBEJB-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445435 500843866 /nfs/dbraw/zinc/84/38/66/500843866.db2.gz OESCNDLBYMBEJB-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP OC1(C[NH+]2CCOCC2)CC[NH+](CC2CCC(c3ccccc3)CC2)CC1 ZINC000444611444 500866465 /nfs/dbraw/zinc/86/64/65/500866465.db2.gz RHKXPXSTVVDWAJ-UHFFFAOYSA-N 2 1 372.553 3.120 20 0 FGADMP CC1(C)CC[NH+](CCOCC[N@H+]2CCSC(C)(C)CC2)CCS1 ZINC000434667970 500876591 /nfs/dbraw/zinc/87/65/91/500876591.db2.gz ZMBTTWOGOZSCDP-UHFFFAOYSA-N 2 1 360.633 3.438 20 0 FGADMP C[N@H+](CCN1CC[NH+](Cc2cc3cccnc3o2)CC1)Cc1ccccc1 ZINC000449022918 500901353 /nfs/dbraw/zinc/90/13/53/500901353.db2.gz LSRHETBIVOKBKZ-UHFFFAOYSA-N 2 1 364.493 3.077 20 0 FGADMP C[N@@H+](CCN1CC[NH+](Cc2cc3cccnc3o2)CC1)Cc1ccccc1 ZINC000449022918 500901357 /nfs/dbraw/zinc/90/13/57/500901357.db2.gz LSRHETBIVOKBKZ-UHFFFAOYSA-N 2 1 364.493 3.077 20 0 FGADMP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037453 500907443 /nfs/dbraw/zinc/90/74/43/500907443.db2.gz NHONXSUFWXJKFH-GUXCAODWSA-N 2 1 351.485 3.026 20 0 FGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037453 500907446 /nfs/dbraw/zinc/90/74/46/500907446.db2.gz NHONXSUFWXJKFH-GUXCAODWSA-N 2 1 351.485 3.026 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000444885550 500917192 /nfs/dbraw/zinc/91/71/92/500917192.db2.gz NKAQBKRCKSQCID-UHFFFAOYSA-N 2 1 372.557 3.204 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449108839 500927625 /nfs/dbraw/zinc/92/76/25/500927625.db2.gz WEVLAWUTRCMKSE-CYBMUJFWSA-N 2 1 361.313 3.461 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449169819 500939903 /nfs/dbraw/zinc/93/99/03/500939903.db2.gz PLTMEHGCUQUCIP-YZGWKJHDSA-N 2 1 359.558 3.428 20 0 FGADMP C[C@@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000445247389 500959844 /nfs/dbraw/zinc/95/98/44/500959844.db2.gz IFJQNZIEGADGBJ-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247389 500959848 /nfs/dbraw/zinc/95/98/48/500959848.db2.gz IFJQNZIEGADGBJ-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247389 500959849 /nfs/dbraw/zinc/95/98/49/500959849.db2.gz IFJQNZIEGADGBJ-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000435375365 500962271 /nfs/dbraw/zinc/96/22/71/500962271.db2.gz UPDDRQXGOURUPM-YLJYHZDGSA-N 2 1 367.493 3.027 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000435386722 500964954 /nfs/dbraw/zinc/96/49/54/500964954.db2.gz VJKODEARUBKZSO-SJORKVTESA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000435386722 500964957 /nfs/dbraw/zinc/96/49/57/500964957.db2.gz VJKODEARUBKZSO-SJORKVTESA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384221 500965104 /nfs/dbraw/zinc/96/51/04/500965104.db2.gz LNYLTJZOOHPFGV-QFBILLFUSA-N 2 1 355.482 3.228 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]12 ZINC000435387573 500965978 /nfs/dbraw/zinc/96/59/78/500965978.db2.gz ASMRHJVRWALUKB-NUEKZKHPSA-N 2 1 350.388 3.060 20 0 FGADMP c1cnn(-c2cccc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c2)c1 ZINC000435392308 500966636 /nfs/dbraw/zinc/96/66/36/500966636.db2.gz WCJVXRLXPYZDHT-OAQYLSRUSA-N 2 1 361.493 3.412 20 0 FGADMP c1cnn(-c2cccc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c2)c1 ZINC000435392308 500966638 /nfs/dbraw/zinc/96/66/38/500966638.db2.gz WCJVXRLXPYZDHT-OAQYLSRUSA-N 2 1 361.493 3.412 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cccc(F)c1 ZINC000449358183 500986449 /nfs/dbraw/zinc/98/64/49/500986449.db2.gz FEXKERUOXHJXRQ-QFIPXVFZSA-N 2 1 374.475 3.165 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449386089 500991275 /nfs/dbraw/zinc/99/12/75/500991275.db2.gz SGVFFOWFMCLRGD-HKUYNNGSSA-N 2 1 366.571 3.294 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440263813 500992805 /nfs/dbraw/zinc/99/28/05/500992805.db2.gz GEIFEWNSTDVOAM-UNMCSNQZSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440263813 500992809 /nfs/dbraw/zinc/99/28/09/500992809.db2.gz GEIFEWNSTDVOAM-UNMCSNQZSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440263813 500992811 /nfs/dbraw/zinc/99/28/11/500992811.db2.gz GEIFEWNSTDVOAM-UNMCSNQZSA-N 2 1 369.553 3.374 20 0 FGADMP CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435623133 501004094 /nfs/dbraw/zinc/00/40/94/501004094.db2.gz GGDMBJFVARZFNV-OAHLLOKOSA-N 2 1 353.894 3.141 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435629176 501004516 /nfs/dbraw/zinc/00/45/16/501004516.db2.gz WXOIRSQNKJLKDG-CTNGQTDRSA-N 2 1 373.541 3.213 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435629176 501004520 /nfs/dbraw/zinc/00/45/20/501004520.db2.gz WXOIRSQNKJLKDG-CTNGQTDRSA-N 2 1 373.541 3.213 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435680133 501009942 /nfs/dbraw/zinc/00/99/42/501009942.db2.gz CBBBEYZFBWOXDO-FQEVSTJZSA-N 2 1 352.526 3.480 20 0 FGADMP CCO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449490818 501015619 /nfs/dbraw/zinc/01/56/19/501015619.db2.gz CZZSNDOMZJJWHR-PGRDOPGGSA-N 2 1 359.558 3.464 20 0 FGADMP CC(C)[C@H]1C[C@H](C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000449490148 501015683 /nfs/dbraw/zinc/01/56/83/501015683.db2.gz BPORTCUOVOFLLQ-NVXWUHKLSA-N 2 1 351.560 3.450 20 0 FGADMP CC(C)[C@H]1C[C@H](C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000449490148 501015685 /nfs/dbraw/zinc/01/56/85/501015685.db2.gz BPORTCUOVOFLLQ-NVXWUHKLSA-N 2 1 351.560 3.450 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449499900 501018301 /nfs/dbraw/zinc/01/83/01/501018301.db2.gz MPCKGNDVPVXARO-CTNGQTDRSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449499900 501018302 /nfs/dbraw/zinc/01/83/02/501018302.db2.gz MPCKGNDVPVXARO-CTNGQTDRSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449499900 501018306 /nfs/dbraw/zinc/01/83/06/501018306.db2.gz MPCKGNDVPVXARO-CTNGQTDRSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449499900 501018308 /nfs/dbraw/zinc/01/83/08/501018308.db2.gz MPCKGNDVPVXARO-CTNGQTDRSA-N 2 1 357.542 3.056 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974212 501057016 /nfs/dbraw/zinc/05/70/16/501057016.db2.gz KFDYKBKFKFLZID-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000449728180 501069924 /nfs/dbraw/zinc/06/99/24/501069924.db2.gz UBEMGTNWMMISDS-NQIIRXRSSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000449783748 501085793 /nfs/dbraw/zinc/08/57/93/501085793.db2.gz RLMWIJKMIJYJTL-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000449783748 501085794 /nfs/dbraw/zinc/08/57/94/501085794.db2.gz RLMWIJKMIJYJTL-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000436282579 501101396 /nfs/dbraw/zinc/10/13/96/501101396.db2.gz HKYJQGNAFBRNOE-QUCCMNQESA-N 2 1 357.542 3.267 20 0 FGADMP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449835396 501101498 /nfs/dbraw/zinc/10/14/98/501101498.db2.gz PMAQEJLLIYCIEA-HXUWFJFHSA-N 2 1 373.541 3.040 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818266 501167896 /nfs/dbraw/zinc/16/78/96/501167896.db2.gz MURFKZOSXBINEK-NHCUHLMSSA-N 2 1 357.542 3.403 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000446823360 501168996 /nfs/dbraw/zinc/16/89/96/501168996.db2.gz LPXRWMYEBXDPNY-XLIONFOSSA-N 2 1 352.486 3.149 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830546 501215263 /nfs/dbraw/zinc/21/52/63/501215263.db2.gz OHBXIXJFFKDQOI-NQIIRXRSSA-N 2 1 370.541 3.332 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830546 501215266 /nfs/dbraw/zinc/21/52/66/501215266.db2.gz OHBXIXJFFKDQOI-NQIIRXRSSA-N 2 1 370.541 3.332 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@H]2CCCOC2)ccc1F)[C@@H]1CCCOC1 ZINC000450978433 501236559 /nfs/dbraw/zinc/23/65/59/501236559.db2.gz MCXFUSWGILIYGW-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCCOC2)c1)[C@H]1CCCOC1 ZINC000450978433 501236560 /nfs/dbraw/zinc/23/65/60/501236560.db2.gz MCXFUSWGILIYGW-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCCOC2)c1)[C@H]1CCCOC1 ZINC000450978433 501236561 /nfs/dbraw/zinc/23/65/61/501236561.db2.gz MCXFUSWGILIYGW-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000453064635 501261475 /nfs/dbraw/zinc/26/14/75/501261475.db2.gz UDYCIVDWZLNCQB-IBGZPJMESA-N 2 1 369.557 3.155 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1ccco1 ZINC000453071965 501262704 /nfs/dbraw/zinc/26/27/04/501262704.db2.gz MVUYHVTVAFAWPZ-ZCNNSNEGSA-N 2 1 367.493 3.042 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453084849 501266044 /nfs/dbraw/zinc/26/60/44/501266044.db2.gz GIOOKNYPCHUTJR-BHDDXSALSA-N 2 1 352.526 3.386 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)no1 ZINC000453129076 501275151 /nfs/dbraw/zinc/27/51/51/501275151.db2.gz DIIALLUAXBYGNB-QRVBRYPASA-N 2 1 354.498 3.207 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453178077 501285956 /nfs/dbraw/zinc/28/59/56/501285956.db2.gz URUZUXPHMPPWKI-XUVXKRRUSA-N 2 1 357.542 3.182 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698595 501289971 /nfs/dbraw/zinc/28/99/71/501289971.db2.gz ZCIGDXYYYFICGH-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(=O)n1C ZINC000453209101 501291951 /nfs/dbraw/zinc/29/19/51/501291951.db2.gz CTABQCGIYQXIMH-YPAWHYETSA-N 2 1 365.521 3.227 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234371 501295374 /nfs/dbraw/zinc/29/53/74/501295374.db2.gz SGHYOGRHIVUWHO-AFXVXQJMSA-N 2 1 365.521 3.190 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534222 501314980 /nfs/dbraw/zinc/31/49/80/501314980.db2.gz NEGYMYVBTICQGI-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534222 501314981 /nfs/dbraw/zinc/31/49/81/501314981.db2.gz NEGYMYVBTICQGI-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534222 501314982 /nfs/dbraw/zinc/31/49/82/501314982.db2.gz NEGYMYVBTICQGI-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534222 501314983 /nfs/dbraw/zinc/31/49/83/501314983.db2.gz NEGYMYVBTICQGI-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP COc1cccc([C@@H](C)N2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533022 501315374 /nfs/dbraw/zinc/31/53/74/501315374.db2.gz LRMYSLKLVSJRFP-QUCCMNQESA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)N2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533022 501315377 /nfs/dbraw/zinc/31/53/77/501315377.db2.gz LRMYSLKLVSJRFP-QUCCMNQESA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533022 501315379 /nfs/dbraw/zinc/31/53/79/501315379.db2.gz LRMYSLKLVSJRFP-QUCCMNQESA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533022 501315381 /nfs/dbraw/zinc/31/53/81/501315381.db2.gz LRMYSLKLVSJRFP-QUCCMNQESA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533022 501315384 /nfs/dbraw/zinc/31/53/84/501315384.db2.gz LRMYSLKLVSJRFP-QUCCMNQESA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533022 501315385 /nfs/dbraw/zinc/31/53/85/501315385.db2.gz LRMYSLKLVSJRFP-QUCCMNQESA-N 2 1 373.541 3.022 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328015 /nfs/dbraw/zinc/32/80/15/501328015.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328018 /nfs/dbraw/zinc/32/80/18/501328018.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)c2)C[C@H]1C ZINC000451572625 501328020 /nfs/dbraw/zinc/32/80/20/501328020.db2.gz QTKAJVSDUXXEQI-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](CO)C(C)C ZINC000451599373 501334317 /nfs/dbraw/zinc/33/43/17/501334317.db2.gz QHYRZGWXYVDHRV-FDFHNCONSA-N 2 1 362.558 3.156 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](CO)C(C)C ZINC000451599373 501334318 /nfs/dbraw/zinc/33/43/18/501334318.db2.gz QHYRZGWXYVDHRV-FDFHNCONSA-N 2 1 362.558 3.156 20 0 FGADMP CC1(C)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000607748460 506252105 /nfs/dbraw/zinc/25/21/05/506252105.db2.gz CDXIDVFKTBCGTG-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000458416579 501439712 /nfs/dbraw/zinc/43/97/12/501439712.db2.gz QIXQCSUXIJMOEQ-NQIIRXRSSA-N 2 1 372.557 3.336 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000458523417 501465640 /nfs/dbraw/zinc/46/56/40/501465640.db2.gz IFKFPJIHEQJURE-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000458523417 501465645 /nfs/dbraw/zinc/46/56/45/501465645.db2.gz IFKFPJIHEQJURE-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+](C)C ZINC000458783432 501530653 /nfs/dbraw/zinc/53/06/53/501530653.db2.gz VDQUKLKJGNTXQL-KAGYGMCKSA-N 2 1 372.557 3.114 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000454593436 501586914 /nfs/dbraw/zinc/58/69/14/501586914.db2.gz LMGMDURAWLTIFU-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593436 501586915 /nfs/dbraw/zinc/58/69/15/501586915.db2.gz LMGMDURAWLTIFU-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593436 501586916 /nfs/dbraw/zinc/58/69/16/501586916.db2.gz LMGMDURAWLTIFU-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149634 501604052 /nfs/dbraw/zinc/60/40/52/501604052.db2.gz GLZQJPAPDQEACW-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000459149634 501604054 /nfs/dbraw/zinc/60/40/54/501604054.db2.gz GLZQJPAPDQEACW-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000459149634 501604057 /nfs/dbraw/zinc/60/40/57/501604057.db2.gz GLZQJPAPDQEACW-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459268542 501622278 /nfs/dbraw/zinc/62/22/78/501622278.db2.gz SENRKRZTBPPHQJ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459268542 501622280 /nfs/dbraw/zinc/62/22/80/501622280.db2.gz SENRKRZTBPPHQJ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459268542 501622281 /nfs/dbraw/zinc/62/22/81/501622281.db2.gz SENRKRZTBPPHQJ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456998683 501632597 /nfs/dbraw/zinc/63/25/97/501632597.db2.gz SGOQRTFGICDRCT-YADHBBJMSA-N 2 1 363.505 3.072 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456998683 501632600 /nfs/dbraw/zinc/63/26/00/501632600.db2.gz SGOQRTFGICDRCT-YADHBBJMSA-N 2 1 363.505 3.072 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456998681 501632812 /nfs/dbraw/zinc/63/28/12/501632812.db2.gz SGOQRTFGICDRCT-VXKWHMMOSA-N 2 1 363.505 3.072 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456998681 501632816 /nfs/dbraw/zinc/63/28/16/501632816.db2.gz SGOQRTFGICDRCT-VXKWHMMOSA-N 2 1 363.505 3.072 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099148 501650695 /nfs/dbraw/zinc/65/06/95/501650695.db2.gz UXHUZCDCMAXGCP-RBUKOAKNSA-N 2 1 372.557 3.434 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099148 501650697 /nfs/dbraw/zinc/65/06/97/501650697.db2.gz UXHUZCDCMAXGCP-RBUKOAKNSA-N 2 1 372.557 3.434 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000459727455 501704813 /nfs/dbraw/zinc/70/48/13/501704813.db2.gz FGLQBDMZYNIAJU-FQEVSTJZSA-N 2 1 354.494 3.025 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459734287 501706416 /nfs/dbraw/zinc/70/64/16/501706416.db2.gz OKSKPWIPSIPZNN-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459772489 501712176 /nfs/dbraw/zinc/71/21/76/501712176.db2.gz OHUUUXKBAIYPIX-PXNSSMCTSA-N 2 1 355.526 3.078 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460107360 501727413 /nfs/dbraw/zinc/72/74/13/501727413.db2.gz IKJZPPMTXQEDCY-NSHGMRRFSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460107360 501727416 /nfs/dbraw/zinc/72/74/16/501727416.db2.gz IKJZPPMTXQEDCY-NSHGMRRFSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460107360 501727417 /nfs/dbraw/zinc/72/74/17/501727417.db2.gz IKJZPPMTXQEDCY-NSHGMRRFSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000477615096 501738596 /nfs/dbraw/zinc/73/85/96/501738596.db2.gz ZKRDHJNCSDGWRP-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP Cc1cc(CNC(=O)NCC[N@@H+](C)C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000460151471 501742429 /nfs/dbraw/zinc/74/24/29/501742429.db2.gz PWRCTLAFQNYELF-UHFFFAOYSA-N 2 1 373.545 3.054 20 0 FGADMP Cc1cc(CNC(=O)NCC[N@H+](C)C2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000460151471 501742432 /nfs/dbraw/zinc/74/24/32/501742432.db2.gz PWRCTLAFQNYELF-UHFFFAOYSA-N 2 1 373.545 3.054 20 0 FGADMP CO[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@H]1C ZINC000467290333 501759745 /nfs/dbraw/zinc/75/97/45/501759745.db2.gz IECUIIULYWIBNO-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@H]1C ZINC000467290333 501759750 /nfs/dbraw/zinc/75/97/50/501759750.db2.gz IECUIIULYWIBNO-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[NH+](Cc2cccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@H]1C ZINC000467290333 501759753 /nfs/dbraw/zinc/75/97/53/501759753.db2.gz IECUIIULYWIBNO-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718455 501781123 /nfs/dbraw/zinc/78/11/23/501781123.db2.gz SGKMWJQWXKDUSA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470718455 501781128 /nfs/dbraw/zinc/78/11/28/501781128.db2.gz SGKMWJQWXKDUSA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470718455 501781132 /nfs/dbraw/zinc/78/11/32/501781132.db2.gz SGKMWJQWXKDUSA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739813 501788425 /nfs/dbraw/zinc/78/84/25/501788425.db2.gz FRFPBTQPIVEHOV-LEWJYISDSA-N 2 1 374.573 3.269 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000467428951 501792412 /nfs/dbraw/zinc/79/24/12/501792412.db2.gz MVCMKEJIASOCEI-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000467428951 501792417 /nfs/dbraw/zinc/79/24/17/501792417.db2.gz MVCMKEJIASOCEI-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470758274 501794397 /nfs/dbraw/zinc/79/43/97/501794397.db2.gz WDYVGTHCHNRCFX-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)n1 ZINC000477859781 501812244 /nfs/dbraw/zinc/81/22/44/501812244.db2.gz UTXSMDAOHZLTQN-IRXDYDNUSA-N 2 1 371.506 3.313 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCC2)C1 ZINC000470865175 501834023 /nfs/dbraw/zinc/83/40/23/501834023.db2.gz FPCXZNKZZIKLPA-AZUAARDMSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865175 501834028 /nfs/dbraw/zinc/83/40/28/501834028.db2.gz FPCXZNKZZIKLPA-AZUAARDMSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865175 501834031 /nfs/dbraw/zinc/83/40/31/501834031.db2.gz FPCXZNKZZIKLPA-AZUAARDMSA-N 2 1 355.526 3.032 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460484403 501835089 /nfs/dbraw/zinc/83/50/89/501835089.db2.gz XDJVCJDKXICNTF-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460484403 501835095 /nfs/dbraw/zinc/83/50/95/501835095.db2.gz XDJVCJDKXICNTF-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000470876309 501839779 /nfs/dbraw/zinc/83/97/79/501839779.db2.gz RSANQNCYAPAFRU-GOSISDBHSA-N 2 1 361.530 3.133 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000477961756 501840921 /nfs/dbraw/zinc/84/09/21/501840921.db2.gz FMPKSZADHPFTFE-XVAXZDLZSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997240 501886432 /nfs/dbraw/zinc/88/64/32/501886432.db2.gz SQCROJOLGYJIGY-OYRHEFFESA-N 2 1 363.505 3.387 20 0 FGADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997240 501886437 /nfs/dbraw/zinc/88/64/37/501886437.db2.gz SQCROJOLGYJIGY-OYRHEFFESA-N 2 1 363.505 3.387 20 0 FGADMP Cc1ccccc1NC(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000470997240 501886441 /nfs/dbraw/zinc/88/64/41/501886441.db2.gz SQCROJOLGYJIGY-OYRHEFFESA-N 2 1 363.505 3.387 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000478148945 501893316 /nfs/dbraw/zinc/89/33/16/501893316.db2.gz YPXNLFJMOPRJCP-SXLOBPIMSA-N 2 1 362.562 3.048 20 0 FGADMP Cc1[nH+]ccc(N2CC[NH+](CCCOCC(F)(F)F)CC2)c1Cl ZINC000478298373 501935776 /nfs/dbraw/zinc/93/57/76/501935776.db2.gz IBBZVKXLWPOMCL-UHFFFAOYSA-N 2 1 351.800 3.134 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000474737291 501938123 /nfs/dbraw/zinc/93/81/23/501938123.db2.gz NCDOPDOSCZOILU-IBGZPJMESA-N 2 1 357.542 3.206 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000474737291 501938128 /nfs/dbraw/zinc/93/81/28/501938128.db2.gz NCDOPDOSCZOILU-IBGZPJMESA-N 2 1 357.542 3.206 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000474737291 501938132 /nfs/dbraw/zinc/93/81/32/501938132.db2.gz NCDOPDOSCZOILU-IBGZPJMESA-N 2 1 357.542 3.206 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000474939388 501999593 /nfs/dbraw/zinc/99/95/93/501999593.db2.gz AWDHVLSAVQYKFM-NXIXHYNASA-N 2 1 358.526 3.464 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475009723 502019772 /nfs/dbraw/zinc/01/97/72/502019772.db2.gz SCLGFRCHMNYWJV-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475016130 502021999 /nfs/dbraw/zinc/02/19/99/502021999.db2.gz FRMGALZZSZBAML-UTKZUKDTSA-N 2 1 351.494 3.025 20 0 FGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475016130 502022001 /nfs/dbraw/zinc/02/20/01/502022001.db2.gz FRMGALZZSZBAML-UTKZUKDTSA-N 2 1 351.494 3.025 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000475021489 502023735 /nfs/dbraw/zinc/02/37/35/502023735.db2.gz DBICNZDEUCNKTM-RBUKOAKNSA-N 2 1 357.523 3.304 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000475021489 502023738 /nfs/dbraw/zinc/02/37/38/502023738.db2.gz DBICNZDEUCNKTM-RBUKOAKNSA-N 2 1 357.523 3.304 20 0 FGADMP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475028559 502026944 /nfs/dbraw/zinc/02/69/44/502026944.db2.gz LLVBOYLJEJGDKX-OAQYLSRUSA-N 2 1 374.573 3.411 20 0 FGADMP CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475034246 502029594 /nfs/dbraw/zinc/02/95/94/502029594.db2.gz VHWBFVAMPMDFRK-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468571 502077819 /nfs/dbraw/zinc/07/78/19/502077819.db2.gz LOCLMEDUBSEAIO-FGZHOGPDSA-N 2 1 365.521 3.316 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468571 502077826 /nfs/dbraw/zinc/07/78/26/502077826.db2.gz LOCLMEDUBSEAIO-FGZHOGPDSA-N 2 1 365.521 3.316 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475154171 502083542 /nfs/dbraw/zinc/08/35/42/502083542.db2.gz GNXYGAWTIZTQEM-FQEVSTJZSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)NCC[N@H+](CC)C(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475154171 502083547 /nfs/dbraw/zinc/08/35/47/502083547.db2.gz GNXYGAWTIZTQEM-FQEVSTJZSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)NCC[N@@H+](CC)C(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475154171 502083552 /nfs/dbraw/zinc/08/35/52/502083552.db2.gz GNXYGAWTIZTQEM-FQEVSTJZSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475176433 502091698 /nfs/dbraw/zinc/09/16/98/502091698.db2.gz MRQWAVUBMRAQHH-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475176433 502091700 /nfs/dbraw/zinc/09/17/00/502091700.db2.gz MRQWAVUBMRAQHH-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475176433 502091705 /nfs/dbraw/zinc/09/17/05/502091705.db2.gz MRQWAVUBMRAQHH-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475179874 502091822 /nfs/dbraw/zinc/09/18/22/502091822.db2.gz XTDZAVKFHDEGFX-NJDAHSKKSA-N 2 1 372.557 3.165 20 0 FGADMP CC(=O)N[C@H](C)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000482505823 502091863 /nfs/dbraw/zinc/09/18/63/502091863.db2.gz OKLNGSIQFUJWCM-GOSISDBHSA-N 2 1 359.558 3.381 20 0 FGADMP Cc1cc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)oc2cc1C ZINC000482553865 502108525 /nfs/dbraw/zinc/10/85/25/502108525.db2.gz MDNKJWJBBXHELJ-DLBZAZTESA-N 2 1 357.498 3.288 20 0 FGADMP Cc1cc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)oc2cc1C ZINC000482553865 502108530 /nfs/dbraw/zinc/10/85/30/502108530.db2.gz MDNKJWJBBXHELJ-DLBZAZTESA-N 2 1 357.498 3.288 20 0 FGADMP C[C@H](CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)OCc1ccccc1 ZINC000475320521 502133580 /nfs/dbraw/zinc/13/35/80/502133580.db2.gz JXNFNIGSGXINBK-VQTJNVASSA-N 2 1 359.558 3.082 20 0 FGADMP c1cn(-c2csc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000475343100 502141682 /nfs/dbraw/zinc/14/16/82/502141682.db2.gz NYHCEQSTGSPNQR-KDURUIRLSA-N 2 1 364.518 3.498 20 0 FGADMP c1cn(-c2csc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000475343100 502141686 /nfs/dbraw/zinc/14/16/86/502141686.db2.gz NYHCEQSTGSPNQR-KDURUIRLSA-N 2 1 364.518 3.498 20 0 FGADMP c1cn(-c2csc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2)cn1 ZINC000475343100 502141690 /nfs/dbraw/zinc/14/16/90/502141690.db2.gz NYHCEQSTGSPNQR-KDURUIRLSA-N 2 1 364.518 3.498 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468676159 502143229 /nfs/dbraw/zinc/14/32/29/502143229.db2.gz SDRVGQXZNXIUDG-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+](CC)CC ZINC000468714432 502156429 /nfs/dbraw/zinc/15/64/29/502156429.db2.gz HZHJCCNHXRVPHB-NRFANRHFSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1CCCCCC1 ZINC000468716222 502157573 /nfs/dbraw/zinc/15/75/73/502157573.db2.gz UMAWGFZAOGDFTR-LJQANCHMSA-N 2 1 369.553 3.300 20 0 FGADMP C[C@@H](CCNC(=O)c1ccccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000486516481 502178116 /nfs/dbraw/zinc/17/81/16/502178116.db2.gz JOHKLKFBURYVDL-SFHVURJKSA-N 2 1 353.510 3.389 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000461721038 502179175 /nfs/dbraw/zinc/17/91/75/502179175.db2.gz FYNLHRQIMCMOOM-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000461721038 502179180 /nfs/dbraw/zinc/17/91/80/502179180.db2.gz FYNLHRQIMCMOOM-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000461721038 502179184 /nfs/dbraw/zinc/17/91/84/502179184.db2.gz FYNLHRQIMCMOOM-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000461791491 502202655 /nfs/dbraw/zinc/20/26/55/502202655.db2.gz NXSNHASTBNBNCU-PMACEKPBSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc(C(F)(F)F)c1 ZINC000482872596 502204045 /nfs/dbraw/zinc/20/40/45/502204045.db2.gz UEXQYSRAHXDPFQ-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482875702 502205699 /nfs/dbraw/zinc/20/56/99/502205699.db2.gz MKIDPNQKZMSHFR-QGZVFWFLSA-N 2 1 357.542 3.159 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000465198525 502211958 /nfs/dbraw/zinc/21/19/58/502211958.db2.gz UBBQPCNJNRZJRK-HXUWFJFHSA-N 2 1 357.542 3.380 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472076923 502222079 /nfs/dbraw/zinc/22/20/79/502222079.db2.gz XADOPTMKFBEISQ-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000465397646 502250210 /nfs/dbraw/zinc/25/02/10/502250210.db2.gz SVJSPTMLSWNWSP-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000465474591 502274116 /nfs/dbraw/zinc/27/41/16/502274116.db2.gz IRBQZKGRGKDMKH-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1cccc(NCCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000483111937 502276034 /nfs/dbraw/zinc/27/60/34/502276034.db2.gz QUULJGPKPBLHBE-UHFFFAOYSA-N 2 1 366.509 3.220 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+]C2CC[NH+](C)CC2)CCOCC1 ZINC000462049814 502286000 /nfs/dbraw/zinc/28/60/00/502286000.db2.gz OMIBNQRNTZXNOO-UHFFFAOYSA-N 2 1 352.906 3.081 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000465531337 502291258 /nfs/dbraw/zinc/29/12/58/502291258.db2.gz ATBCGXGYZBDZNL-HAGHYFMRSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000465531339 502293321 /nfs/dbraw/zinc/29/33/21/502293321.db2.gz ATBCGXGYZBDZNL-WTGUMLROSA-N 2 1 364.578 3.011 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465541911 502299954 /nfs/dbraw/zinc/29/99/54/502299954.db2.gz MQWPFFYLHJITBT-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465554251 502305148 /nfs/dbraw/zinc/30/51/48/502305148.db2.gz GIKPCPONOGSJCC-LVCYWYKZSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000465554251 502305152 /nfs/dbraw/zinc/30/51/52/502305152.db2.gz GIKPCPONOGSJCC-LVCYWYKZSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000465554251 502305157 /nfs/dbraw/zinc/30/51/57/502305157.db2.gz GIKPCPONOGSJCC-LVCYWYKZSA-N 2 1 372.557 3.200 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300819 502305933 /nfs/dbraw/zinc/30/59/33/502305933.db2.gz YBYWNXAFAZBHCP-AEFFLSMTSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300819 502305938 /nfs/dbraw/zinc/30/59/38/502305938.db2.gz YBYWNXAFAZBHCP-AEFFLSMTSA-N 2 1 358.486 3.230 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)CC1 ZINC000465555471 502306380 /nfs/dbraw/zinc/30/63/80/502306380.db2.gz XKTCWXXKYBJZBL-WIYYLYMNSA-N 2 1 372.557 3.200 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1 ZINC000465556787 502306740 /nfs/dbraw/zinc/30/67/40/502306740.db2.gz BOQCTSIHQCOUQT-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000465556787 502306745 /nfs/dbraw/zinc/30/67/45/502306745.db2.gz BOQCTSIHQCOUQT-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000465556787 502306748 /nfs/dbraw/zinc/30/67/48/502306748.db2.gz BOQCTSIHQCOUQT-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196442 502310719 /nfs/dbraw/zinc/31/07/19/502310719.db2.gz JMMPJOUBKPITDP-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000483196442 502310724 /nfs/dbraw/zinc/31/07/24/502310724.db2.gz JMMPJOUBKPITDP-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000483196442 502310731 /nfs/dbraw/zinc/31/07/31/502310731.db2.gz JMMPJOUBKPITDP-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000465579869 502313645 /nfs/dbraw/zinc/31/36/45/502313645.db2.gz VUYVGICNONQHCE-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000465579869 502313654 /nfs/dbraw/zinc/31/36/54/502313654.db2.gz VUYVGICNONQHCE-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000465579869 502313659 /nfs/dbraw/zinc/31/36/59/502313659.db2.gz VUYVGICNONQHCE-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000479672878 502339661 /nfs/dbraw/zinc/33/96/61/502339661.db2.gz IQGLZBPNXMYCLF-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC000479672878 502339668 /nfs/dbraw/zinc/33/96/68/502339668.db2.gz IQGLZBPNXMYCLF-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000479672878 502339675 /nfs/dbraw/zinc/33/96/75/502339675.db2.gz IQGLZBPNXMYCLF-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479770679 502372804 /nfs/dbraw/zinc/37/28/04/502372804.db2.gz AWYCRFYXMAZWOC-UHFFFAOYSA-N 2 1 353.466 3.069 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479770679 502372807 /nfs/dbraw/zinc/37/28/07/502372807.db2.gz AWYCRFYXMAZWOC-UHFFFAOYSA-N 2 1 353.466 3.069 20 0 FGADMP CCO[C@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581829 502391428 /nfs/dbraw/zinc/39/14/28/502391428.db2.gz PYTFCCYRCAONGT-SFTDATJTSA-N 2 1 365.606 3.462 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000479851622 502397109 /nfs/dbraw/zinc/39/71/09/502397109.db2.gz OOIVXOUJCIEFCJ-DZFGPLHGSA-N 2 1 365.537 3.155 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000472600102 502398318 /nfs/dbraw/zinc/39/83/18/502398318.db2.gz XKQWHIVLAIFJEV-VQTJNVASSA-N 2 1 353.595 3.318 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465872813 502410195 /nfs/dbraw/zinc/41/01/95/502410195.db2.gz KWUNUXTYXUVXHF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465872813 502410201 /nfs/dbraw/zinc/41/02/01/502410201.db2.gz KWUNUXTYXUVXHF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465872813 502410204 /nfs/dbraw/zinc/41/02/04/502410204.db2.gz KWUNUXTYXUVXHF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CCn1c(C)cc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588691463 506312984 /nfs/dbraw/zinc/31/29/84/506312984.db2.gz NYEYWPBCNBJNIL-TZIWHRDSSA-N 2 1 355.526 3.276 20 0 FGADMP CCn1c(C)cc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588691463 506312991 /nfs/dbraw/zinc/31/29/91/506312991.db2.gz NYEYWPBCNBJNIL-TZIWHRDSSA-N 2 1 355.526 3.276 20 0 FGADMP CC[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000465991237 502447890 /nfs/dbraw/zinc/44/78/90/502447890.db2.gz ZJJFNKAYPFOUPZ-GUDVDZBRSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483676106 502459088 /nfs/dbraw/zinc/45/90/88/502459088.db2.gz FFQIXFAWZZLQEK-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1C ZINC000483683315 502462175 /nfs/dbraw/zinc/46/21/75/502462175.db2.gz KZVSKJIPYUEOES-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@@H+](CCO)CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000469567522 502466352 /nfs/dbraw/zinc/46/63/52/502466352.db2.gz UGGQGGDHZNNGHA-UHFFFAOYSA-N 2 1 358.326 3.128 20 0 FGADMP CC[N@H+](CCO)CCNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000469567522 502466345 /nfs/dbraw/zinc/46/63/45/502466345.db2.gz UGGQGGDHZNNGHA-UHFFFAOYSA-N 2 1 358.326 3.128 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080306 502466995 /nfs/dbraw/zinc/46/69/95/502466995.db2.gz BATCTUAGZLKHLL-OKZBNKHCSA-N 2 1 353.576 3.077 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000483716935 502473664 /nfs/dbraw/zinc/47/36/64/502473664.db2.gz UVFJUROBXDHMQX-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCOc3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000588710598 506316914 /nfs/dbraw/zinc/31/69/14/506316914.db2.gz STZWHKQLTMIXBZ-HDICACEKSA-N 2 1 364.505 3.416 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484128127 502577282 /nfs/dbraw/zinc/57/72/82/502577282.db2.gz INHCWOBDOLMSGY-AVRDEDQJSA-N 2 1 354.494 3.373 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484128127 502577283 /nfs/dbraw/zinc/57/72/83/502577283.db2.gz INHCWOBDOLMSGY-AVRDEDQJSA-N 2 1 354.494 3.373 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473501989 502613260 /nfs/dbraw/zinc/61/32/60/502613260.db2.gz BTNXQDOCTAWHFD-MZKRTTBSSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501989 502613267 /nfs/dbraw/zinc/61/32/67/502613267.db2.gz BTNXQDOCTAWHFD-MZKRTTBSSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501989 502613275 /nfs/dbraw/zinc/61/32/75/502613275.db2.gz BTNXQDOCTAWHFD-MZKRTTBSSA-N 2 1 369.553 3.374 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000469994680 502622965 /nfs/dbraw/zinc/62/29/65/502622965.db2.gz ULKUVOHYUVATNT-PXAZEXFGSA-N 2 1 363.303 3.112 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000469994680 502622968 /nfs/dbraw/zinc/62/29/68/502622968.db2.gz ULKUVOHYUVATNT-PXAZEXFGSA-N 2 1 363.303 3.112 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480677185 502639584 /nfs/dbraw/zinc/63/95/84/502639584.db2.gz PDAWTBPQJXECQY-KGSLCBSSSA-N 2 1 373.585 3.406 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679632 502640842 /nfs/dbraw/zinc/64/08/42/502640842.db2.gz VPYIKTINHZBOTH-UARRHKHWSA-N 2 1 364.533 3.480 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000476989308 502644089 /nfs/dbraw/zinc/64/40/89/502644089.db2.gz MBKNEORUTNSIFG-PZJWPPBQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H](C)O1 ZINC000463137481 502704576 /nfs/dbraw/zinc/70/45/76/502704576.db2.gz QZQIGPFNEDAFCY-NXLVEIQXSA-N 2 1 359.558 3.128 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H](C)O1 ZINC000463137481 502704582 /nfs/dbraw/zinc/70/45/82/502704582.db2.gz QZQIGPFNEDAFCY-NXLVEIQXSA-N 2 1 359.558 3.128 20 0 FGADMP CN(c1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000480936139 502709414 /nfs/dbraw/zinc/70/94/14/502709414.db2.gz MCTOEBSZUNDLLZ-UHFFFAOYSA-N 3 1 372.601 3.429 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481025481 502731545 /nfs/dbraw/zinc/73/15/45/502731545.db2.gz PKBTWDOGQWRFKJ-AABGKKOBSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481025481 502731550 /nfs/dbraw/zinc/73/15/50/502731550.db2.gz PKBTWDOGQWRFKJ-AABGKKOBSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481025481 502731555 /nfs/dbraw/zinc/73/15/55/502731555.db2.gz PKBTWDOGQWRFKJ-AABGKKOBSA-N 2 1 353.595 3.224 20 0 FGADMP O=C1CCN1c1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463253103 502738142 /nfs/dbraw/zinc/73/81/42/502738142.db2.gz AYHZTAKFBVYPDC-UHFFFAOYSA-N 2 1 363.505 3.220 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000477320192 502740839 /nfs/dbraw/zinc/74/08/39/502740839.db2.gz QOFYWEHHUOTGTR-HXUWFJFHSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000477320192 502740846 /nfs/dbraw/zinc/74/08/46/502740846.db2.gz QOFYWEHHUOTGTR-HXUWFJFHSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000477320192 502740851 /nfs/dbraw/zinc/74/08/51/502740851.db2.gz QOFYWEHHUOTGTR-HXUWFJFHSA-N 2 1 364.578 3.158 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000463276228 502743467 /nfs/dbraw/zinc/74/34/67/502743467.db2.gz OYGDVTHZDBDOID-ZKMOHVOUSA-N 2 1 368.525 3.201 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000463276228 502743471 /nfs/dbraw/zinc/74/34/71/502743471.db2.gz OYGDVTHZDBDOID-ZKMOHVOUSA-N 2 1 368.525 3.201 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000463277286 502743602 /nfs/dbraw/zinc/74/36/02/502743602.db2.gz CJRVUVISDVYDNT-KDURUIRLSA-N 2 1 352.563 3.405 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474013682 502779376 /nfs/dbraw/zinc/77/93/76/502779376.db2.gz VLAXVROLSPEAFE-YOUFYPILSA-N 2 1 374.573 3.173 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474013682 502779380 /nfs/dbraw/zinc/77/93/80/502779380.db2.gz VLAXVROLSPEAFE-YOUFYPILSA-N 2 1 374.573 3.173 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474013682 502779386 /nfs/dbraw/zinc/77/93/86/502779386.db2.gz VLAXVROLSPEAFE-YOUFYPILSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965071 502788396 /nfs/dbraw/zinc/78/83/96/502788396.db2.gz UUCTXKVXWWKQJL-NBCNXNJRSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965071 502788400 /nfs/dbraw/zinc/78/84/00/502788400.db2.gz UUCTXKVXWWKQJL-NBCNXNJRSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997406 502795284 /nfs/dbraw/zinc/79/52/84/502795284.db2.gz SMGUXMPECIZDKT-FUHWJXTLSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997406 502795289 /nfs/dbraw/zinc/79/52/89/502795289.db2.gz SMGUXMPECIZDKT-FUHWJXTLSA-N 2 1 361.505 3.156 20 0 FGADMP CC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531044 502806479 /nfs/dbraw/zinc/80/64/79/502806479.db2.gz UFCYTULZMLNSLF-RTWAWAEBSA-N 2 1 359.558 3.477 20 0 FGADMP C[C@@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553156 502811103 /nfs/dbraw/zinc/81/11/03/502811103.db2.gz ISYJJAHSWKJVPB-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000500680294 502838984 /nfs/dbraw/zinc/83/89/84/502838984.db2.gz BKYJBWQCIUQJNY-RTBURBONSA-N 2 1 372.557 3.012 20 0 FGADMP CC[C@@H](C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000513080820 502847479 /nfs/dbraw/zinc/84/74/79/502847479.db2.gz CSLSSJMVNFFOJT-IBGZPJMESA-N 2 1 354.498 3.101 20 0 FGADMP CC[C@@H](C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000513080820 502847480 /nfs/dbraw/zinc/84/74/80/502847480.db2.gz CSLSSJMVNFFOJT-IBGZPJMESA-N 2 1 354.498 3.101 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513133158 502859671 /nfs/dbraw/zinc/85/96/71/502859671.db2.gz CXVMATVAOBMEIW-XNMUZJSGSA-N 2 1 360.542 3.281 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513133158 502859676 /nfs/dbraw/zinc/85/96/76/502859676.db2.gz CXVMATVAOBMEIW-XNMUZJSGSA-N 2 1 360.542 3.281 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513133158 502859681 /nfs/dbraw/zinc/85/96/81/502859681.db2.gz CXVMATVAOBMEIW-XNMUZJSGSA-N 2 1 360.542 3.281 20 0 FGADMP C[NH+]1CCC(CCNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000489042616 502867221 /nfs/dbraw/zinc/86/72/21/502867221.db2.gz MOCOVAQBFKMCQU-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP O[C@@]1(CNC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000513212254 502878776 /nfs/dbraw/zinc/87/87/76/502878776.db2.gz IYKJQYOBJUXZSE-HSZRJFAPSA-N 2 1 371.569 3.010 20 0 FGADMP C[N@H+](Cc1nc2cccnc2s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501090857 502935152 /nfs/dbraw/zinc/93/51/52/502935152.db2.gz TVPXYPZLDMAYQZ-UHFFFAOYSA-N 2 1 353.495 3.435 20 0 FGADMP Cc1cccc(C)c1OCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000501109485 502940982 /nfs/dbraw/zinc/94/09/82/502940982.db2.gz IFJGKNXNPHOXNC-SFTDATJTSA-N 2 1 359.558 3.173 20 0 FGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OCC(F)(F)F ZINC000509617875 502949950 /nfs/dbraw/zinc/94/99/50/502949950.db2.gz MFNJCYLRMYVESO-UHFFFAOYSA-N 2 1 357.376 3.321 20 0 FGADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000509655039 502959294 /nfs/dbraw/zinc/95/92/94/502959294.db2.gz UVBFPAIMCWGTBM-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000509655039 502959296 /nfs/dbraw/zinc/95/92/96/502959296.db2.gz UVBFPAIMCWGTBM-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP C[C@H]1C[NH+](C)[C@@H](C)CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000509655039 502959297 /nfs/dbraw/zinc/95/92/97/502959297.db2.gz UVBFPAIMCWGTBM-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727444 502974103 /nfs/dbraw/zinc/97/41/03/502974103.db2.gz ZOFXATAISUKGQR-NRFANRHFSA-N 2 1 357.542 3.054 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1 ZINC000505731126 502975240 /nfs/dbraw/zinc/97/52/40/502975240.db2.gz HUNWJLXFGAHUFU-NRFANRHFSA-N 2 1 353.510 3.328 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655146 502991801 /nfs/dbraw/zinc/99/18/01/502991801.db2.gz LKWUJWDCUDYCKY-XUVXKRRUSA-N 2 1 368.525 3.455 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000505835280 502996430 /nfs/dbraw/zinc/99/64/30/502996430.db2.gz WPUHCTARAQQJQR-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835280 502996436 /nfs/dbraw/zinc/99/64/36/502996436.db2.gz WPUHCTARAQQJQR-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835280 502996441 /nfs/dbraw/zinc/99/64/41/502996441.db2.gz WPUHCTARAQQJQR-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513673508 502997366 /nfs/dbraw/zinc/99/73/66/502997366.db2.gz SMDFSZILBPXABR-YESZJQIVSA-N 2 1 353.304 3.290 20 0 FGADMP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608300 502999163 /nfs/dbraw/zinc/99/91/63/502999163.db2.gz DCMXNMGWGNUQAX-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501395470 503000559 /nfs/dbraw/zinc/00/05/59/503000559.db2.gz BEDCJALWUFPQDP-QUCCMNQESA-N 2 1 366.594 3.451 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501395468 503000835 /nfs/dbraw/zinc/00/08/35/503000835.db2.gz BEDCJALWUFPQDP-AZUAARDMSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH2+]1 ZINC000505875427 503003634 /nfs/dbraw/zinc/00/36/34/503003634.db2.gz WCCAGDDSLZUHQU-ROUUACIJSA-N 2 1 351.494 3.141 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000497635170 503004725 /nfs/dbraw/zinc/00/47/25/503004725.db2.gz XPGSPDQFFUWMAC-RXVVDRJESA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000501491973 503020606 /nfs/dbraw/zinc/02/06/06/503020606.db2.gz QCBQQSFKEFZZBO-QYZOEREBSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000501491973 503020607 /nfs/dbraw/zinc/02/06/07/503020607.db2.gz QCBQQSFKEFZZBO-QYZOEREBSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000501491973 503020608 /nfs/dbraw/zinc/02/06/08/503020608.db2.gz QCBQQSFKEFZZBO-QYZOEREBSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499210 503021425 /nfs/dbraw/zinc/02/14/25/503021425.db2.gz DPWKICAZDWOESR-SVFBPWRDSA-N 2 1 372.557 3.243 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000497729787 503026701 /nfs/dbraw/zinc/02/67/01/503026701.db2.gz XPUBORVRNRLYHK-FQEVSTJZSA-N 2 1 373.541 3.042 20 0 FGADMP Brc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000513819716 503030129 /nfs/dbraw/zinc/03/01/29/503030129.db2.gz BOJIHOOWMUVTLO-UHFFFAOYSA-N 2 1 373.360 3.445 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000501547124 503034587 /nfs/dbraw/zinc/03/45/87/503034587.db2.gz RSROJLFXCSVBMS-QUCCMNQESA-N 2 1 360.546 3.243 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088515 503046137 /nfs/dbraw/zinc/04/61/37/503046137.db2.gz WLGKILJNKNUQRE-NRFANRHFSA-N 2 1 362.558 3.487 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916553 503048058 /nfs/dbraw/zinc/04/80/58/503048058.db2.gz JHPVSKURJJIJIO-GGPKGHCWSA-N 2 1 357.542 3.276 20 0 FGADMP c1c[nH]c([C@@H]2CCCN2CC2(C[N@H+]3CCC[C@H]3c3ccc[nH]3)COC2)c1 ZINC000497851133 503054982 /nfs/dbraw/zinc/05/49/82/503054982.db2.gz PPXIOXXSPXYBFC-PMACEKPBSA-N 2 1 354.498 3.333 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904825 503061024 /nfs/dbraw/zinc/06/10/24/503061024.db2.gz CTVMWKZLMYCYOB-JSGCOSHPSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1Cl ZINC000489904825 503061029 /nfs/dbraw/zinc/06/10/29/503061029.db2.gz CTVMWKZLMYCYOB-JSGCOSHPSA-N 2 1 358.313 3.374 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489904631 503061293 /nfs/dbraw/zinc/06/12/93/503061293.db2.gz FUAWEKKMNXVDHF-GOSISDBHSA-N 2 1 369.513 3.021 20 0 FGADMP C[NH+](C)Cc1cnc(CNCc2ccccc2C[NH+]2CCCCC2)s1 ZINC000510267032 503082046 /nfs/dbraw/zinc/08/20/46/503082046.db2.gz KMBLTTLNZDXXKP-UHFFFAOYSA-N 2 1 358.555 3.480 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCC1 ZINC000501821471 503087483 /nfs/dbraw/zinc/08/74/83/503087483.db2.gz FRVIBQGVISHUNP-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2C)cc1 ZINC000490011810 503089742 /nfs/dbraw/zinc/08/97/42/503089742.db2.gz HHMKOTGBUVBKLZ-QFIPXVFZSA-N 2 1 368.525 3.132 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2C)cc1 ZINC000490011810 503089746 /nfs/dbraw/zinc/08/97/46/503089746.db2.gz HHMKOTGBUVBKLZ-QFIPXVFZSA-N 2 1 368.525 3.132 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326653 503092679 /nfs/dbraw/zinc/09/26/79/503092679.db2.gz ZCTVTVVIRJDRJX-RMVXJAJNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326653 503092682 /nfs/dbraw/zinc/09/26/82/503092682.db2.gz ZCTVTVVIRJDRJX-RMVXJAJNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326653 503092685 /nfs/dbraw/zinc/09/26/85/503092685.db2.gz ZCTVTVVIRJDRJX-RMVXJAJNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126815 503094757 /nfs/dbraw/zinc/09/47/57/503094757.db2.gz MIZNKWGOCKNJFL-ZGXWSNOMSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000514126815 503094761 /nfs/dbraw/zinc/09/47/61/503094761.db2.gz MIZNKWGOCKNJFL-ZGXWSNOMSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000514126815 503094762 /nfs/dbraw/zinc/09/47/62/503094762.db2.gz MIZNKWGOCKNJFL-ZGXWSNOMSA-N 2 1 366.594 3.307 20 0 FGADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088760 503107194 /nfs/dbraw/zinc/10/71/94/503107194.db2.gz JEJDGHZCWDKZBB-AZUAARDMSA-N 2 1 357.542 3.162 20 0 FGADMP COCCOc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506388020 503107437 /nfs/dbraw/zinc/10/74/37/503107437.db2.gz UOMOULUARQGVJI-UHFFFAOYSA-N 2 1 350.503 3.025 20 0 FGADMP COCCOc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000506388020 503107441 /nfs/dbraw/zinc/10/74/41/503107441.db2.gz UOMOULUARQGVJI-UHFFFAOYSA-N 2 1 350.503 3.025 20 0 FGADMP C[C@H](CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCCC1 ZINC000501914156 503108399 /nfs/dbraw/zinc/10/83/99/503108399.db2.gz LFESGCIKZSYTDF-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514229968 503119099 /nfs/dbraw/zinc/11/90/99/503119099.db2.gz VKIDVHYLXBTBRM-BJLQDIEVSA-N 2 1 360.546 3.017 20 0 FGADMP Cc1cccc2nc(CN3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)n12 ZINC000506473310 503122172 /nfs/dbraw/zinc/12/21/72/503122172.db2.gz XTPNCDPYCFXBEF-MJGOQNOKSA-N 2 1 368.525 3.089 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506490896 503125544 /nfs/dbraw/zinc/12/55/44/503125544.db2.gz YNXQHRJRUCAXBS-OALUTQOASA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506490896 503125547 /nfs/dbraw/zinc/12/55/47/503125547.db2.gz YNXQHRJRUCAXBS-OALUTQOASA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506490896 503125549 /nfs/dbraw/zinc/12/55/49/503125549.db2.gz YNXQHRJRUCAXBS-OALUTQOASA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506490896 503125553 /nfs/dbraw/zinc/12/55/53/503125553.db2.gz YNXQHRJRUCAXBS-OALUTQOASA-N 2 1 374.525 3.438 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655810 503151315 /nfs/dbraw/zinc/15/13/15/503151315.db2.gz RXSHYKMSGHJNMP-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655810 503151319 /nfs/dbraw/zinc/15/13/19/503151319.db2.gz RXSHYKMSGHJNMP-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506655810 503151323 /nfs/dbraw/zinc/15/13/23/503151323.db2.gz RXSHYKMSGHJNMP-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615567 503156267 /nfs/dbraw/zinc/15/62/67/503156267.db2.gz CPRWEAYHHUSIBV-SFTDATJTSA-N 2 1 357.542 3.074 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615567 503156272 /nfs/dbraw/zinc/15/62/72/503156272.db2.gz CPRWEAYHHUSIBV-SFTDATJTSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615567 503156275 /nfs/dbraw/zinc/15/62/75/503156275.db2.gz CPRWEAYHHUSIBV-SFTDATJTSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615567 503156280 /nfs/dbraw/zinc/15/62/80/503156280.db2.gz CPRWEAYHHUSIBV-SFTDATJTSA-N 2 1 357.542 3.074 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)C ZINC000506905189 503192225 /nfs/dbraw/zinc/19/22/25/503192225.db2.gz ZEGCPMBEAPWEQL-WOJBJXKFSA-N 2 1 366.594 3.401 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473636 503205323 /nfs/dbraw/zinc/20/53/23/503205323.db2.gz DBSZIHIBZMFTQV-HTAPYJJXSA-N 2 1 368.525 3.416 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600030 503223766 /nfs/dbraw/zinc/22/37/66/503223766.db2.gz ZYSOFHQPVRNKIN-QFIPXVFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600030 503223767 /nfs/dbraw/zinc/22/37/67/503223767.db2.gz ZYSOFHQPVRNKIN-QFIPXVFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600030 503223770 /nfs/dbraw/zinc/22/37/70/503223770.db2.gz ZYSOFHQPVRNKIN-QFIPXVFZSA-N 2 1 365.521 3.289 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000502628025 503241738 /nfs/dbraw/zinc/24/17/38/503241738.db2.gz ODYVYTUBHBXXOU-XEVCZEQESA-N 2 1 364.578 3.203 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000490896740 503242708 /nfs/dbraw/zinc/24/27/08/503242708.db2.gz KUTWTSXMONTXTD-UHFFFAOYSA-N 2 1 360.546 3.204 20 0 FGADMP C[NH+](Cc1ccccc1CNC(=O)NCC[N@H+](C)C1CC1)C1CCCCC1 ZINC000490947935 503250280 /nfs/dbraw/zinc/25/02/80/503250280.db2.gz HSVMQRXJNMDUGT-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1)C1CC1 ZINC000490947935 503250283 /nfs/dbraw/zinc/25/02/83/503250283.db2.gz HSVMQRXJNMDUGT-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC1 ZINC000490947935 503250287 /nfs/dbraw/zinc/25/02/87/503250287.db2.gz HSVMQRXJNMDUGT-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP COc1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000515129165 503276744 /nfs/dbraw/zinc/27/67/44/503276744.db2.gz XUEWNKKADGXMEZ-AQNXPRMDSA-N 2 1 352.482 3.018 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)CC[C@@H]3C)c2c1C ZINC000498912171 503291391 /nfs/dbraw/zinc/29/13/91/503291391.db2.gz RSTBSSRPNVGVHD-AWEZNQCLSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)CC[C@@H]3C)c2c1C ZINC000498912171 503291392 /nfs/dbraw/zinc/29/13/92/503291392.db2.gz RSTBSSRPNVGVHD-AWEZNQCLSA-N 2 1 373.570 3.434 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000502874154 503295177 /nfs/dbraw/zinc/29/51/77/503295177.db2.gz DTXXMXPMKNRBKM-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000502874154 503295181 /nfs/dbraw/zinc/29/51/81/503295181.db2.gz DTXXMXPMKNRBKM-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000502874154 503295185 /nfs/dbraw/zinc/29/51/85/503295185.db2.gz DTXXMXPMKNRBKM-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@@H]2C)cc1 ZINC000502912248 503306674 /nfs/dbraw/zinc/30/66/74/503306674.db2.gz LVGMTMMSRZXGAC-MOPGFXCFSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000502912248 503306676 /nfs/dbraw/zinc/30/66/76/503306676.db2.gz LVGMTMMSRZXGAC-MOPGFXCFSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000502912248 503306677 /nfs/dbraw/zinc/30/66/77/503306677.db2.gz LVGMTMMSRZXGAC-MOPGFXCFSA-N 2 1 372.557 3.297 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000491448285 503308349 /nfs/dbraw/zinc/30/83/49/503308349.db2.gz SMULSTFYLFCUSE-JOCHJYFZSA-N 2 1 363.505 3.111 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000491448285 503308355 /nfs/dbraw/zinc/30/83/55/503308355.db2.gz SMULSTFYLFCUSE-JOCHJYFZSA-N 2 1 363.505 3.111 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000502943021 503312099 /nfs/dbraw/zinc/31/20/99/503312099.db2.gz YJORUQUKKHVRPM-ROUUACIJSA-N 2 1 360.546 3.147 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467185 503326701 /nfs/dbraw/zinc/32/67/01/503326701.db2.gz YBLKEOXTJLHTQY-VQIMIIECSA-N 2 1 365.477 3.132 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000503058667 503338324 /nfs/dbraw/zinc/33/83/24/503338324.db2.gz LMHIYSOCKCELIZ-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000503058667 503338325 /nfs/dbraw/zinc/33/83/25/503338325.db2.gz LMHIYSOCKCELIZ-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000503058667 503338326 /nfs/dbraw/zinc/33/83/26/503338326.db2.gz LMHIYSOCKCELIZ-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198178 503364814 /nfs/dbraw/zinc/36/48/14/503364814.db2.gz KKOJXQFTNANEIF-QZTJIDSGSA-N 2 1 371.525 3.045 20 0 FGADMP CCn1cc(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000503210645 503368038 /nfs/dbraw/zinc/36/80/38/503368038.db2.gz YREXRCUWWPUYTA-UHFFFAOYSA-N 2 1 352.526 3.434 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000503226981 503372017 /nfs/dbraw/zinc/37/20/17/503372017.db2.gz UJXXVQCQEMRORZ-FGTMMUONSA-N 2 1 351.922 3.368 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000503226981 503372019 /nfs/dbraw/zinc/37/20/19/503372019.db2.gz UJXXVQCQEMRORZ-FGTMMUONSA-N 2 1 351.922 3.368 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCc4c3c(F)ccc4F)cn2)CC1 ZINC000507844175 503378809 /nfs/dbraw/zinc/37/88/09/503378809.db2.gz JWRIWTRDYJESOA-IBGZPJMESA-N 2 1 372.463 3.279 20 0 FGADMP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000492815226 503386578 /nfs/dbraw/zinc/38/65/78/503386578.db2.gz FWCKSFMKAJIHHB-OSYNSWQESA-N 2 1 366.509 3.035 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCCC2(C)C)CC1 ZINC000492873221 503388993 /nfs/dbraw/zinc/38/89/93/503388993.db2.gz LZVOOSLPVSKRPZ-HXUWFJFHSA-N 2 1 357.542 3.198 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811092 503406014 /nfs/dbraw/zinc/40/60/14/503406014.db2.gz OMYCLNHDIKUOBN-MAUKXSAKSA-N 2 1 366.937 3.103 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cn1 ZINC000493305670 503418652 /nfs/dbraw/zinc/41/86/52/503418652.db2.gz QHZTXZYIKLTPIC-FQEVSTJZSA-N 2 1 357.473 3.418 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000512016582 503435069 /nfs/dbraw/zinc/43/50/69/503435069.db2.gz STBAFSBGYPUGOU-KDOFPFPSSA-N 2 1 364.584 3.439 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000512016582 503435075 /nfs/dbraw/zinc/43/50/75/503435075.db2.gz STBAFSBGYPUGOU-KDOFPFPSSA-N 2 1 364.584 3.439 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@@H+]2CC2CCCCC2)s1 ZINC000512042710 503441334 /nfs/dbraw/zinc/44/13/34/503441334.db2.gz YIKRCJOPXQVEGS-KRWDZBQOSA-N 2 1 350.576 3.339 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@H+]2CC2CCCCC2)s1 ZINC000512042710 503441340 /nfs/dbraw/zinc/44/13/40/503441340.db2.gz YIKRCJOPXQVEGS-KRWDZBQOSA-N 2 1 350.576 3.339 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccnc1C(F)F ZINC000516108345 503447142 /nfs/dbraw/zinc/44/71/42/503447142.db2.gz CVWBONSEAIKEGK-UHFFFAOYSA-N 2 1 367.488 3.047 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911313 503456833 /nfs/dbraw/zinc/45/68/33/503456833.db2.gz FWAOXDAMPLQTGL-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911313 503456837 /nfs/dbraw/zinc/45/68/37/503456837.db2.gz FWAOXDAMPLQTGL-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911313 503456842 /nfs/dbraw/zinc/45/68/42/503456842.db2.gz FWAOXDAMPLQTGL-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C4CCC4)cc3)CC2)CC1 ZINC000508259530 503464491 /nfs/dbraw/zinc/46/44/91/503464491.db2.gz ZWESHCLFTSZJNA-UHFFFAOYSA-N 2 1 369.553 3.330 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493961610 503466439 /nfs/dbraw/zinc/46/64/39/503466439.db2.gz QPLLMWDUZLGAKW-AVRDEDQJSA-N 2 1 354.494 3.385 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)CC(C)(C)C ZINC000588903309 506374106 /nfs/dbraw/zinc/37/41/06/506374106.db2.gz UOPRLXBJKNYUBX-UHFFFAOYSA-N 2 1 365.949 3.399 20 0 FGADMP C[C@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182629 503479741 /nfs/dbraw/zinc/47/97/41/503479741.db2.gz FLJJRJJQOIAFOQ-LAUBAEHRSA-N 2 1 355.526 3.203 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000512289942 503510642 /nfs/dbraw/zinc/51/06/42/503510642.db2.gz QUSNGGLTQGBTOG-PLMTUMEDSA-N 2 1 369.484 3.242 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc(N(C)C)nc2)cc1 ZINC000508602214 503527597 /nfs/dbraw/zinc/52/75/97/503527597.db2.gz ALTVCWIXPCCFDO-UHFFFAOYSA-N 2 1 354.498 3.310 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516537131 503530226 /nfs/dbraw/zinc/53/02/26/503530226.db2.gz PGEFGHQWKIMWOF-LJQANCHMSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000516568763 503538884 /nfs/dbraw/zinc/53/88/84/503538884.db2.gz XXFCVEYFJGIFQR-KBPBESRZSA-N 2 1 371.447 3.112 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000516570902 503539631 /nfs/dbraw/zinc/53/96/31/503539631.db2.gz JJQPWIZTFJUQIT-FCRQHZQGSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000516570902 503539636 /nfs/dbraw/zinc/53/96/36/503539636.db2.gz JJQPWIZTFJUQIT-FCRQHZQGSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582082 503542878 /nfs/dbraw/zinc/54/28/78/503542878.db2.gz QRWFNDIBVGGVRM-SVFBPWRDSA-N 2 1 372.557 3.243 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000500134111 503562264 /nfs/dbraw/zinc/56/22/64/503562264.db2.gz RECUHPKXAOAEPT-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP Clc1ccc(CCCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000504424829 503572527 /nfs/dbraw/zinc/57/25/27/503572527.db2.gz UANUFIBBBGSBRE-MRXNPFEDSA-N 2 1 356.341 3.296 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000516874400 503606511 /nfs/dbraw/zinc/60/65/11/503606511.db2.gz FJTXSZLYMPNPCA-SFHVURJKSA-N 2 1 365.521 3.492 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000512810038 503636622 /nfs/dbraw/zinc/63/66/22/503636622.db2.gz OZMHSWLOIVHQMG-SJORKVTESA-N 2 1 360.452 3.484 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000512810038 503636626 /nfs/dbraw/zinc/63/66/26/503636626.db2.gz OZMHSWLOIVHQMG-SJORKVTESA-N 2 1 360.452 3.484 20 0 FGADMP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)co2)cc1 ZINC000517020551 503645487 /nfs/dbraw/zinc/64/54/87/503645487.db2.gz ICLMRNLUNXAJPF-PMACEKPBSA-N 2 1 371.481 3.069 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054900 503655401 /nfs/dbraw/zinc/65/54/01/503655401.db2.gz CYZPQKBAQRPEJT-HZPDHXFCSA-N 2 1 357.420 3.428 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054900 503655402 /nfs/dbraw/zinc/65/54/02/503655402.db2.gz CYZPQKBAQRPEJT-HZPDHXFCSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054900 503655404 /nfs/dbraw/zinc/65/54/04/503655404.db2.gz CYZPQKBAQRPEJT-HZPDHXFCSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054900 503655406 /nfs/dbraw/zinc/65/54/06/503655406.db2.gz CYZPQKBAQRPEJT-HZPDHXFCSA-N 2 1 357.420 3.428 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659355 503665584 /nfs/dbraw/zinc/66/55/84/503665584.db2.gz YACMIPXDXYHNKR-QAPCUYQASA-N 2 1 370.497 3.153 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659355 503665590 /nfs/dbraw/zinc/66/55/90/503665590.db2.gz YACMIPXDXYHNKR-QAPCUYQASA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659355 503665595 /nfs/dbraw/zinc/66/55/95/503665595.db2.gz YACMIPXDXYHNKR-QAPCUYQASA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659355 503665600 /nfs/dbraw/zinc/66/56/00/503665600.db2.gz YACMIPXDXYHNKR-QAPCUYQASA-N 2 1 370.497 3.153 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659217 503665722 /nfs/dbraw/zinc/66/57/22/503665722.db2.gz ORUBFQGXPCKZQJ-AEFFLSMTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659217 503665729 /nfs/dbraw/zinc/66/57/29/503665729.db2.gz ORUBFQGXPCKZQJ-AEFFLSMTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659217 503665735 /nfs/dbraw/zinc/66/57/35/503665735.db2.gz ORUBFQGXPCKZQJ-AEFFLSMTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@H]1C ZINC000536659217 503665739 /nfs/dbraw/zinc/66/57/39/503665739.db2.gz ORUBFQGXPCKZQJ-AEFFLSMTSA-N 2 1 350.503 3.025 20 0 FGADMP CC(C)[C@@H]1CCCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532975829 503682802 /nfs/dbraw/zinc/68/28/02/503682802.db2.gz XMRHCONQBXSCBS-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CNC3(C(=O)Nc4ccccc4)CC3)sc2C1 ZINC000495195321 503696270 /nfs/dbraw/zinc/69/62/70/503696270.db2.gz QSPHTHPCCBIHLC-UHFFFAOYSA-N 2 1 370.522 3.171 20 0 FGADMP CC(C)N1CCc2nc(CNC3(C(=O)Nc4ccccc4)CC3)sc2C1 ZINC000495195321 503696275 /nfs/dbraw/zinc/69/62/75/503696275.db2.gz QSPHTHPCCBIHLC-UHFFFAOYSA-N 2 1 370.522 3.171 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)CC1 ZINC000540192550 503702528 /nfs/dbraw/zinc/70/25/28/503702528.db2.gz MVNBYMWJQINMLZ-UHFFFAOYSA-N 2 1 366.933 3.089 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000533181660 503753112 /nfs/dbraw/zinc/75/31/12/503753112.db2.gz NYCTUJOCKVUJCC-HKUYNNGSSA-N 2 1 374.529 3.156 20 0 FGADMP Cc1ccccc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220465 503765914 /nfs/dbraw/zinc/76/59/14/503765914.db2.gz KLFDVYFPOHRVEJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220465 503765919 /nfs/dbraw/zinc/76/59/19/503765919.db2.gz KLFDVYFPOHRVEJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000533220465 503765926 /nfs/dbraw/zinc/76/59/26/503765926.db2.gz KLFDVYFPOHRVEJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000533220465 503765931 /nfs/dbraw/zinc/76/59/31/503765931.db2.gz KLFDVYFPOHRVEJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000517593263 503780672 /nfs/dbraw/zinc/78/06/72/503780672.db2.gz MEQMOPRQXGKARL-CVEARBPZSA-N 2 1 366.575 3.161 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000517601026 503783275 /nfs/dbraw/zinc/78/32/75/503783275.db2.gz OMRJVXMJYCJCLR-NRFANRHFSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000517601026 503783277 /nfs/dbraw/zinc/78/32/77/503783277.db2.gz OMRJVXMJYCJCLR-NRFANRHFSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000517601026 503783281 /nfs/dbraw/zinc/78/32/81/503783281.db2.gz OMRJVXMJYCJCLR-NRFANRHFSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000517601026 503783285 /nfs/dbraw/zinc/78/32/85/503783285.db2.gz OMRJVXMJYCJCLR-NRFANRHFSA-N 2 1 372.465 3.146 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(F)c(F)cc2F)c2cccs2)CC1 ZINC000540482789 503785373 /nfs/dbraw/zinc/78/53/73/503785373.db2.gz ZAZHQKAZKCRHAE-QGZVFWFLSA-N 2 1 369.456 3.244 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572601 503793805 /nfs/dbraw/zinc/79/38/05/503793805.db2.gz KPKUKXKKVOJVGR-HRAATJIYSA-N 2 1 358.457 3.122 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572601 503793809 /nfs/dbraw/zinc/79/38/09/503793809.db2.gz KPKUKXKKVOJVGR-HRAATJIYSA-N 2 1 358.457 3.122 20 0 FGADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517667751 503801893 /nfs/dbraw/zinc/80/18/93/503801893.db2.gz FXSNFIABTXKZPO-LJQANCHMSA-N 2 1 359.558 3.176 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000533310661 503803689 /nfs/dbraw/zinc/80/36/89/503803689.db2.gz VPUQMQJILOPPNX-HXUWFJFHSA-N 2 1 368.525 3.163 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000533310661 503803692 /nfs/dbraw/zinc/80/36/92/503803692.db2.gz VPUQMQJILOPPNX-HXUWFJFHSA-N 2 1 368.525 3.163 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000533310661 503803697 /nfs/dbraw/zinc/80/36/97/503803697.db2.gz VPUQMQJILOPPNX-HXUWFJFHSA-N 2 1 368.525 3.163 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000533310661 503803699 /nfs/dbraw/zinc/80/36/99/503803699.db2.gz VPUQMQJILOPPNX-HXUWFJFHSA-N 2 1 368.525 3.163 20 0 FGADMP Cc1oc2ccccc2c1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000546630385 503814940 /nfs/dbraw/zinc/81/49/40/503814940.db2.gz WRGXWMARHUZDJJ-UHFFFAOYSA-N 2 1 364.449 3.069 20 0 FGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C(=O)NCC4)CC2)C1 ZINC000543599428 503824569 /nfs/dbraw/zinc/82/45/69/503824569.db2.gz TZBFSUCBAOGLEI-JXFKEZNVSA-N 2 1 355.526 3.105 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543639320 503837401 /nfs/dbraw/zinc/83/74/01/503837401.db2.gz DAZWXDFXMVXVQX-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000543702300 503858161 /nfs/dbraw/zinc/85/81/61/503858161.db2.gz VSZFYOJMDIZJQP-WMZOPIPTSA-N 2 1 362.518 3.312 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000546768052 503872739 /nfs/dbraw/zinc/87/27/39/503872739.db2.gz LPGZUAVNFQPMPC-HXUWFJFHSA-N 2 1 357.542 3.137 20 0 FGADMP CC(C)(C)c1ccc(NC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530238455 503887881 /nfs/dbraw/zinc/88/78/81/503887881.db2.gz NSOBBDVKIMBNKV-HXUWFJFHSA-N 2 1 373.541 3.013 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691342 503897472 /nfs/dbraw/zinc/89/74/72/503897472.db2.gz JMXNHCZBJQKSIT-SLYNCCJLSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527691342 503897477 /nfs/dbraw/zinc/89/74/77/503897477.db2.gz JMXNHCZBJQKSIT-SLYNCCJLSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527691342 503897480 /nfs/dbraw/zinc/89/74/80/503897480.db2.gz JMXNHCZBJQKSIT-SLYNCCJLSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534147 503945474 /nfs/dbraw/zinc/94/54/74/503945474.db2.gz APIIUZWEFHUHKS-GCJKJVERSA-N 2 1 368.525 3.345 20 0 FGADMP CCSc1ccccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000533782435 503949391 /nfs/dbraw/zinc/94/93/91/503949391.db2.gz LXOKIXDDFKCLSJ-JWTNVVGKSA-N 2 1 373.566 3.182 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000518349056 503959258 /nfs/dbraw/zinc/95/92/58/503959258.db2.gz PAXRYJNWZJEAKQ-WBVHZDCISA-N 2 1 360.889 3.397 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000537585784 503963160 /nfs/dbraw/zinc/96/31/60/503963160.db2.gz CSRLIYYNPMSOMZ-SFHVURJKSA-N 2 1 372.557 3.265 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000537585784 503963165 /nfs/dbraw/zinc/96/31/65/503963165.db2.gz CSRLIYYNPMSOMZ-SFHVURJKSA-N 2 1 372.557 3.265 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000537622562 503980046 /nfs/dbraw/zinc/98/00/46/503980046.db2.gz AVUFXAMWBDNHEW-UHFFFAOYSA-N 2 1 364.921 3.311 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000537646877 503990653 /nfs/dbraw/zinc/99/06/53/503990653.db2.gz BKHMMBJNRXJYQR-MRXNPFEDSA-N 2 1 364.921 3.159 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000537646877 503990655 /nfs/dbraw/zinc/99/06/55/503990655.db2.gz BKHMMBJNRXJYQR-MRXNPFEDSA-N 2 1 364.921 3.159 20 0 FGADMP CCc1cc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000541089323 504002835 /nfs/dbraw/zinc/00/28/35/504002835.db2.gz FPVDLQJEAOVKFX-UHFFFAOYSA-N 2 1 368.525 3.253 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000541109499 504010868 /nfs/dbraw/zinc/01/08/68/504010868.db2.gz KSPIBOMJGLXOKH-GOSISDBHSA-N 2 1 364.578 3.180 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367985 504078341 /nfs/dbraw/zinc/07/83/41/504078341.db2.gz GDMBWKSQKXQGEY-ZWKOTPCHSA-N 2 1 371.525 3.019 20 0 FGADMP COCC[N@@H+](CCc1ccccc1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000544349718 504099272 /nfs/dbraw/zinc/09/92/72/504099272.db2.gz LOSQXCSERIZBGE-UHFFFAOYSA-N 2 1 350.466 3.267 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000519035403 504123415 /nfs/dbraw/zinc/12/34/15/504123415.db2.gz UDYIVHYWWYOYMY-QFIPXVFZSA-N 2 1 372.557 3.168 20 0 FGADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541433327 504127425 /nfs/dbraw/zinc/12/74/25/504127425.db2.gz DJLSJUTUDUMLGS-MSOLQXFVSA-N 2 1 358.530 3.046 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3C3CC3)c2)C1 ZINC000538100151 504132486 /nfs/dbraw/zinc/13/24/86/504132486.db2.gz BMRFROGOWACMHT-HKBOAZHASA-N 2 1 355.526 3.052 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266325 504138881 /nfs/dbraw/zinc/13/88/81/504138881.db2.gz JCXRCBIKDFFAFW-PKOBYXMFSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266325 504138886 /nfs/dbraw/zinc/13/88/86/504138886.db2.gz JCXRCBIKDFFAFW-PKOBYXMFSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266325 504138890 /nfs/dbraw/zinc/13/88/90/504138890.db2.gz JCXRCBIKDFFAFW-PKOBYXMFSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266325 504138892 /nfs/dbraw/zinc/13/88/92/504138892.db2.gz JCXRCBIKDFFAFW-PKOBYXMFSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000530964930 504145637 /nfs/dbraw/zinc/14/56/37/504145637.db2.gz CFNAKIYDDIGXOY-UHFFFAOYSA-N 2 1 370.541 3.083 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633603 504162821 /nfs/dbraw/zinc/16/28/21/504162821.db2.gz RWCNBDJVZJKSBW-IRLDBZIGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000547633603 504162825 /nfs/dbraw/zinc/16/28/25/504162825.db2.gz RWCNBDJVZJKSBW-IRLDBZIGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000547633603 504162829 /nfs/dbraw/zinc/16/28/29/504162829.db2.gz RWCNBDJVZJKSBW-IRLDBZIGSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000519416631 504215230 /nfs/dbraw/zinc/21/52/30/504215230.db2.gz KMUHXSXNYYSUBJ-INIZCTEOSA-N 2 1 364.449 3.307 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccc(C)cc1 ZINC000547786470 504225040 /nfs/dbraw/zinc/22/50/40/504225040.db2.gz UGUUUTXTQRTVPF-OAQYLSRUSA-N 2 1 353.510 3.236 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707403 504228081 /nfs/dbraw/zinc/22/80/81/504228081.db2.gz PLOAXYXUAWKZSG-TUNNFDKTSA-N 2 1 360.542 3.461 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707403 504228084 /nfs/dbraw/zinc/22/80/84/504228084.db2.gz PLOAXYXUAWKZSG-TUNNFDKTSA-N 2 1 360.542 3.461 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539649 504246186 /nfs/dbraw/zinc/24/61/86/504246186.db2.gz CHXRJOLDUYRIHY-PKOBYXMFSA-N 2 1 369.534 3.482 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000531322889 504265939 /nfs/dbraw/zinc/26/59/39/504265939.db2.gz VTVAAOQVIBPVFS-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000531322889 504265946 /nfs/dbraw/zinc/26/59/46/504265946.db2.gz VTVAAOQVIBPVFS-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000531322889 504265949 /nfs/dbraw/zinc/26/59/49/504265949.db2.gz VTVAAOQVIBPVFS-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CCC(C)C)CC2)cs1 ZINC000519638014 504284667 /nfs/dbraw/zinc/28/46/67/504284667.db2.gz LEVZYCZWMIIXFQ-SFHVURJKSA-N 2 1 353.576 3.304 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000534955341 504293224 /nfs/dbraw/zinc/29/32/24/504293224.db2.gz KYFRBGNVTUYKLX-IBGZPJMESA-N 2 1 368.481 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000534955341 504293229 /nfs/dbraw/zinc/29/32/29/504293229.db2.gz KYFRBGNVTUYKLX-IBGZPJMESA-N 2 1 368.481 3.010 20 0 FGADMP C[C@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccc1 ZINC000531427774 504302433 /nfs/dbraw/zinc/30/24/33/504302433.db2.gz OCXFWURUEKREIZ-LJQANCHMSA-N 2 1 374.573 3.094 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519775839 504335075 /nfs/dbraw/zinc/33/50/75/504335075.db2.gz VTYZXDZDTRBQMT-CBNMVNINSA-N 2 1 355.526 3.221 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000519775839 504335080 /nfs/dbraw/zinc/33/50/80/504335080.db2.gz VTYZXDZDTRBQMT-CBNMVNINSA-N 2 1 355.526 3.221 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000531531956 504336393 /nfs/dbraw/zinc/33/63/93/504336393.db2.gz ICCYLYVRFFRPIF-OAQYLSRUSA-N 2 1 370.585 3.325 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C3CCCC3)C2)CC1 ZINC000531531956 504336396 /nfs/dbraw/zinc/33/63/96/504336396.db2.gz ICCYLYVRFFRPIF-OAQYLSRUSA-N 2 1 370.585 3.325 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797207 504342337 /nfs/dbraw/zinc/34/23/37/504342337.db2.gz RJYPAACCUJLAOM-HBFSDRIKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797207 504342344 /nfs/dbraw/zinc/34/23/44/504342344.db2.gz RJYPAACCUJLAOM-HBFSDRIKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797207 504342350 /nfs/dbraw/zinc/34/23/50/504342350.db2.gz RJYPAACCUJLAOM-HBFSDRIKSA-N 2 1 360.546 3.067 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000538732481 504349630 /nfs/dbraw/zinc/34/96/30/504349630.db2.gz PONZXPFCLAIRIR-UHFFFAOYSA-N 2 1 359.283 3.131 20 0 FGADMP C[C@H]1CC(F)(F)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528771714 504373567 /nfs/dbraw/zinc/37/35/67/504373567.db2.gz ZGYOAVIXSUFYJP-INIZCTEOSA-N 2 1 365.468 3.018 20 0 FGADMP C[C@H]1CC(F)(F)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528771714 504373571 /nfs/dbraw/zinc/37/35/71/504373571.db2.gz ZGYOAVIXSUFYJP-INIZCTEOSA-N 2 1 365.468 3.018 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000528995545 504487769 /nfs/dbraw/zinc/48/77/69/504487769.db2.gz JCDCWRNMEOYKPU-STZQEDGTSA-N 2 1 369.553 3.301 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000528995545 504487775 /nfs/dbraw/zinc/48/77/75/504487775.db2.gz JCDCWRNMEOYKPU-STZQEDGTSA-N 2 1 369.553 3.301 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000548633588 504503948 /nfs/dbraw/zinc/50/39/48/504503948.db2.gz XQBDFIRLKHLURR-DOTOQJQBSA-N 2 1 353.601 3.158 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174486 504566618 /nfs/dbraw/zinc/56/66/18/504566618.db2.gz PMYUSUXQWJOHHV-RTBURBONSA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529174486 504566621 /nfs/dbraw/zinc/56/66/21/504566621.db2.gz PMYUSUXQWJOHHV-RTBURBONSA-N 2 1 363.933 3.247 20 0 FGADMP COc1cccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000532188396 504567445 /nfs/dbraw/zinc/56/74/45/504567445.db2.gz DICHXQUPHFZWNJ-QFBILLFUSA-N 2 1 359.539 3.396 20 0 FGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000539508147 504594513 /nfs/dbraw/zinc/59/45/13/504594513.db2.gz SMVXQBSYKBQLHT-RBUKOAKNSA-N 2 1 352.563 3.451 20 0 FGADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@]3(O)CC[N@H+](C)C3)cc2)c1 ZINC000545867058 504619777 /nfs/dbraw/zinc/61/97/77/504619777.db2.gz MMLSBYAPTGJNOU-PGRDOPGGSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000545867058 504619780 /nfs/dbraw/zinc/61/97/80/504619780.db2.gz MMLSBYAPTGJNOU-PGRDOPGGSA-N 2 1 354.494 3.291 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289247 504621537 /nfs/dbraw/zinc/62/15/37/504621537.db2.gz NVIWYBSDQLIULX-YLJYHZDGSA-N 2 1 370.541 3.145 20 0 FGADMP C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000521056381 504639131 /nfs/dbraw/zinc/63/91/31/504639131.db2.gz CABVVBOOXPGDKZ-MAUKXSAKSA-N 2 1 351.922 3.181 20 0 FGADMP CC(C)C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532523294 504682150 /nfs/dbraw/zinc/68/21/50/504682150.db2.gz VVNFNNZFEVBCIB-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000521268959 504698116 /nfs/dbraw/zinc/69/81/16/504698116.db2.gz OSTCZXHRQODAPI-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000539894557 504733108 /nfs/dbraw/zinc/73/31/08/504733108.db2.gz AMZVEWGYCBOSAZ-BHDDXSALSA-N 2 1 373.585 3.328 20 0 FGADMP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536487005 504746754 /nfs/dbraw/zinc/74/67/54/504746754.db2.gz XXKGWUXJVAMISQ-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)c1[nH+]c(CN2CCC(C)([NH+]3CCOCC3)CC2)c2ccccn21 ZINC000529664621 504754814 /nfs/dbraw/zinc/75/48/14/504754814.db2.gz SXVCCJQSHKSSMH-UHFFFAOYSA-N 2 1 356.514 3.144 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2)CC1)CC1CC1 ZINC000540050546 504766122 /nfs/dbraw/zinc/76/61/22/504766122.db2.gz UPUMDTSWXIFHCY-UHFFFAOYSA-N 2 1 357.542 3.137 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562624043 504884451 /nfs/dbraw/zinc/88/44/51/504884451.db2.gz VSBGDBHUQBPACX-HXUWFJFHSA-N 2 1 372.557 3.202 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841651 504913552 /nfs/dbraw/zinc/91/35/52/504913552.db2.gz XQWZHKDKCZVBPW-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841651 504913556 /nfs/dbraw/zinc/91/35/56/504913556.db2.gz XQWZHKDKCZVBPW-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841651 504913558 /nfs/dbraw/zinc/91/35/58/504913558.db2.gz XQWZHKDKCZVBPW-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732273 504917491 /nfs/dbraw/zinc/91/74/91/504917491.db2.gz FKDSTQSCDWRBBA-VXKWHMMOSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@H]1c1ccccc1 ZINC000559732273 504917497 /nfs/dbraw/zinc/91/74/97/504917497.db2.gz FKDSTQSCDWRBBA-VXKWHMMOSA-N 2 1 361.493 3.252 20 0 FGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742870 504921455 /nfs/dbraw/zinc/92/14/55/504921455.db2.gz GUAYBSZGBSJCPM-QKLQHJQFSA-N 2 1 362.514 3.403 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4cccc(F)c4)s3)C2)nn1 ZINC000562750784 504933269 /nfs/dbraw/zinc/93/32/69/504933269.db2.gz VCLOJNGUDVZPRK-QGZVFWFLSA-N 2 1 371.485 3.442 20 0 FGADMP C[C@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[N@H+]1Cc1ccccc1 ZINC000562772532 504940128 /nfs/dbraw/zinc/94/01/28/504940128.db2.gz GHPDIABZNOXQRX-JOCHJYFZSA-N 2 1 364.493 3.466 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000560063063 504982703 /nfs/dbraw/zinc/98/27/03/504982703.db2.gz NLMKPQFKCWMITF-FYYLOGMGSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000560063063 504982706 /nfs/dbraw/zinc/98/27/06/504982706.db2.gz NLMKPQFKCWMITF-FYYLOGMGSA-N 2 1 365.521 3.448 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000550220896 504995481 /nfs/dbraw/zinc/99/54/81/504995481.db2.gz XWFDYQNVQYBMRI-KRWDZBQOSA-N 2 1 362.477 3.496 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985174 505009948 /nfs/dbraw/zinc/00/99/48/505009948.db2.gz ICVAMZVQXQYEGS-DZGCQCFKSA-N 2 1 361.313 3.055 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917908 505026368 /nfs/dbraw/zinc/02/63/68/505026368.db2.gz STNUCDRWWKZETB-UONOGXRCSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917908 505026369 /nfs/dbraw/zinc/02/63/69/505026369.db2.gz STNUCDRWWKZETB-UONOGXRCSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917908 505026370 /nfs/dbraw/zinc/02/63/70/505026370.db2.gz STNUCDRWWKZETB-UONOGXRCSA-N 2 1 350.450 3.124 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](CNC(=O)Nc3cccc(F)c3)C2)CC[NH2+]1 ZINC000565939074 505032861 /nfs/dbraw/zinc/03/28/61/505032861.db2.gz JHTZTFTZKBKRBG-ZACQAIPSSA-N 2 1 362.493 3.047 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000563060544 505036871 /nfs/dbraw/zinc/03/68/71/505036871.db2.gz IJWVGVJIHHJLDC-QMMLZNLJSA-N 2 1 357.542 3.442 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc(C(F)(F)F)c1 ZINC000563149523 505060286 /nfs/dbraw/zinc/06/02/86/505060286.db2.gz JOGVWGXSNCVLIC-QGZVFWFLSA-N 2 1 355.404 3.110 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(Oc2ccccc2Cl)CC1 ZINC000563154355 505061533 /nfs/dbraw/zinc/06/15/33/505061533.db2.gz NARMAOCZYYJKTM-PMACEKPBSA-N 2 1 374.912 3.114 20 0 FGADMP Clc1c[nH+]ccc1N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557083971 505062313 /nfs/dbraw/zinc/06/23/13/505062313.db2.gz KXAQRKRGJOHBHD-SFHVURJKSA-N 2 1 356.901 3.132 20 0 FGADMP Clc1c[nH+]ccc1N1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000557083971 505062317 /nfs/dbraw/zinc/06/23/17/505062317.db2.gz KXAQRKRGJOHBHD-SFHVURJKSA-N 2 1 356.901 3.132 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000566058884 505068383 /nfs/dbraw/zinc/06/83/83/505068383.db2.gz GHHUGSPBLZSFRU-LEWJYISDSA-N 2 1 351.494 3.014 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000566058884 505068386 /nfs/dbraw/zinc/06/83/86/505068386.db2.gz GHHUGSPBLZSFRU-LEWJYISDSA-N 2 1 351.494 3.014 20 0 FGADMP CCC[N@H+](C[C@@H]1CCCC[C@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218069 505078813 /nfs/dbraw/zinc/07/88/13/505078813.db2.gz VSXKKGNYWMHPQD-AZUAARDMSA-N 2 1 360.546 3.325 20 0 FGADMP CCC[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218069 505078816 /nfs/dbraw/zinc/07/88/16/505078816.db2.gz VSXKKGNYWMHPQD-AZUAARDMSA-N 2 1 360.546 3.325 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550664870 505082005 /nfs/dbraw/zinc/08/20/05/505082005.db2.gz AAQBAOJFDHQHRF-YADHBBJMSA-N 2 1 365.521 3.356 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550664870 505082009 /nfs/dbraw/zinc/08/20/09/505082009.db2.gz AAQBAOJFDHQHRF-YADHBBJMSA-N 2 1 365.521 3.356 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCO1 ZINC000563300008 505101011 /nfs/dbraw/zinc/10/10/11/505101011.db2.gz ABLMWMQYJISVSS-CEWLAPEOSA-N 2 1 358.526 3.072 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795608 505102659 /nfs/dbraw/zinc/10/26/59/505102659.db2.gz HZBKYTBDDLSNLB-QHAWAJNXSA-N 2 1 367.541 3.122 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795608 505102663 /nfs/dbraw/zinc/10/26/63/505102663.db2.gz HZBKYTBDDLSNLB-QHAWAJNXSA-N 2 1 367.541 3.122 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1)CC(C)C ZINC000557319240 505107336 /nfs/dbraw/zinc/10/73/36/505107336.db2.gz YBIRVQAAVZLBKJ-HXUWFJFHSA-N 2 1 351.579 3.466 20 0 FGADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507079 505108304 /nfs/dbraw/zinc/10/83/04/505108304.db2.gz WOBUSKNWDUXTEJ-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507079 505108307 /nfs/dbraw/zinc/10/83/07/505108307.db2.gz WOBUSKNWDUXTEJ-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CC[C@H](N[C@H]2CC(=O)N(c3ccccc3F)C2)C[C@H]1c1ccccc1 ZINC000550823220 505109349 /nfs/dbraw/zinc/10/93/49/505109349.db2.gz JYCYAPXQJGRNON-WFXMLNOXSA-N 2 1 367.468 3.356 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 ZINC000550860268 505115633 /nfs/dbraw/zinc/11/56/33/505115633.db2.gz HULDJXDRHAUBLP-OXQOHEQNSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886556 505120704 /nfs/dbraw/zinc/12/07/04/505120704.db2.gz HMCFIZLOOWAUDF-MSOLQXFVSA-N 2 1 355.530 3.423 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551084366 505153585 /nfs/dbraw/zinc/15/35/85/505153585.db2.gz YTRXRDOZMJSQAN-TZIWHRDSSA-N 2 1 368.477 3.164 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551084366 505153588 /nfs/dbraw/zinc/15/35/88/505153588.db2.gz YTRXRDOZMJSQAN-TZIWHRDSSA-N 2 1 368.477 3.164 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000551087645 505155001 /nfs/dbraw/zinc/15/50/01/505155001.db2.gz VNXVQLPEMFGLPP-BJESRGMDSA-N 2 1 371.569 3.179 20 0 FGADMP CCc1ccc(C[N@H+]2CCC[C@@H](CN3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200070 /nfs/dbraw/zinc/20/00/70/505200070.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200072 /nfs/dbraw/zinc/20/00/72/505200072.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200076 /nfs/dbraw/zinc/20/00/76/505200076.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200078 /nfs/dbraw/zinc/20/00/78/505200078.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200080 /nfs/dbraw/zinc/20/00/80/505200080.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543062 505200083 /nfs/dbraw/zinc/20/00/83/505200083.db2.gz PQGTWMNPJFFLOP-SFHVURJKSA-N 2 1 363.571 3.077 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562197 505206182 /nfs/dbraw/zinc/20/61/82/505206182.db2.gz OEIIRMUZMHIJJE-ZWKOTPCHSA-N 2 1 373.541 3.133 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562197 505206185 /nfs/dbraw/zinc/20/61/85/505206185.db2.gz OEIIRMUZMHIJJE-ZWKOTPCHSA-N 2 1 373.541 3.133 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597633 505217111 /nfs/dbraw/zinc/21/71/11/505217111.db2.gz OCPVNYADEVEGSK-QYZOEREBSA-N 2 1 357.542 3.123 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561154061 505265786 /nfs/dbraw/zinc/26/57/86/505265786.db2.gz NUPOJRUGUBJRLI-KDURUIRLSA-N 2 1 359.558 3.279 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)c2ccc3c[nH+]cn3c2)cc1Br ZINC000551655834 505275897 /nfs/dbraw/zinc/27/58/97/505275897.db2.gz KHABICKJKWMLHN-UHFFFAOYSA-N 2 1 373.254 3.411 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)CC2 ZINC000561206384 505280008 /nfs/dbraw/zinc/28/00/08/505280008.db2.gz QQMAUZBJKGXIQS-PZJWPPBQSA-N 2 1 366.509 3.016 20 0 FGADMP CCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000554855795 505282188 /nfs/dbraw/zinc/28/21/88/505282188.db2.gz BAKQSYVUIDLTGX-UHFFFAOYSA-N 2 1 358.574 3.272 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882255 505288907 /nfs/dbraw/zinc/28/89/07/505288907.db2.gz JPASUJUBYWCBPS-QGZVFWFLSA-N 2 1 355.473 3.136 20 0 FGADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000554959507 505311734 /nfs/dbraw/zinc/31/17/34/505311734.db2.gz GHEBRYZWPJGGKY-SFTDATJTSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000554959507 505311736 /nfs/dbraw/zinc/31/17/36/505311736.db2.gz GHEBRYZWPJGGKY-SFTDATJTSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)Nc1ccccc1 ZINC000554959507 505311740 /nfs/dbraw/zinc/31/17/40/505311740.db2.gz GHEBRYZWPJGGKY-SFTDATJTSA-N 2 1 363.505 3.469 20 0 FGADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000555002626 505326021 /nfs/dbraw/zinc/32/60/21/505326021.db2.gz DNIHTIQOVPNYAF-WMLDXEAASA-N 2 1 355.486 3.492 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117753 505330106 /nfs/dbraw/zinc/33/01/06/505330106.db2.gz MFFVRKRRQRUOBL-KDOFPFPSSA-N 2 1 369.912 3.353 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117753 505330107 /nfs/dbraw/zinc/33/01/07/505330107.db2.gz MFFVRKRRQRUOBL-KDOFPFPSSA-N 2 1 369.912 3.353 20 0 FGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000564324942 505384490 /nfs/dbraw/zinc/38/44/90/505384490.db2.gz MNOUPSKQTVFOBR-RTWAWAEBSA-N 2 1 365.521 3.493 20 0 FGADMP C[C@H](CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000561608809 505389701 /nfs/dbraw/zinc/38/97/01/505389701.db2.gz JUCIBILHSMPGDF-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199940 505392747 /nfs/dbraw/zinc/39/27/47/505392747.db2.gz IXYNIRXFCYDXOT-GHTZIAJQSA-N 2 1 368.481 3.258 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccccc21 ZINC000567260301 505411028 /nfs/dbraw/zinc/41/10/28/505411028.db2.gz FZAYLTBTCCNPIO-NJYVYQBISA-N 2 1 371.912 3.448 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccccc21 ZINC000567260299 505411291 /nfs/dbraw/zinc/41/12/91/505411291.db2.gz FZAYLTBTCCNPIO-HKBOAZHASA-N 2 1 371.912 3.448 20 0 FGADMP CSC1(C[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)CC[NH+](C)CC1 ZINC000564439823 505420374 /nfs/dbraw/zinc/42/03/74/505420374.db2.gz WCCARIDNFAPQJH-QGZVFWFLSA-N 2 1 362.518 3.066 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCOCC1)c1ccccc1 ZINC000552249948 505440885 /nfs/dbraw/zinc/44/08/85/505440885.db2.gz QIPJQXVXWVXKEQ-UVUJQTEASA-N 2 1 371.569 3.349 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000558616852 505441353 /nfs/dbraw/zinc/44/13/53/505441353.db2.gz CDABBKSUVJWBFT-GOSISDBHSA-N 2 1 364.534 3.180 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000555598434 505468973 /nfs/dbraw/zinc/46/89/73/505468973.db2.gz UARKHYRBWWTCJB-NPPFBWRTSA-N 2 1 357.542 3.232 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CCCn1cc[nH+]c1C ZINC000561979347 505483107 /nfs/dbraw/zinc/48/31/07/505483107.db2.gz CGSXSOKVDRLKEF-UHFFFAOYSA-N 2 1 371.437 3.255 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000561979347 505483110 /nfs/dbraw/zinc/48/31/10/505483110.db2.gz CGSXSOKVDRLKEF-UHFFFAOYSA-N 2 1 371.437 3.255 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000564658527 505485090 /nfs/dbraw/zinc/48/50/90/505485090.db2.gz JXAVKHOGUGWQMP-WIYYLYMNSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000562034203 505497750 /nfs/dbraw/zinc/49/77/50/505497750.db2.gz RIOFWWMDFKFYGF-WOJBJXKFSA-N 2 1 369.509 3.443 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000555870446 505530027 /nfs/dbraw/zinc/53/00/27/505530027.db2.gz YEBBHWSYXHQECL-UHFFFAOYSA-N 2 1 362.477 3.115 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564828586 505531428 /nfs/dbraw/zinc/53/14/28/505531428.db2.gz UJXRILWGGZZGHT-UZLBHIALSA-N 2 1 364.555 3.443 20 0 FGADMP CN(C)c1ncc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000562213569 505541690 /nfs/dbraw/zinc/54/16/90/505541690.db2.gz HOVOIRVPUSGLLP-ZWKOTPCHSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000562213569 505541691 /nfs/dbraw/zinc/54/16/91/505541691.db2.gz HOVOIRVPUSGLLP-ZWKOTPCHSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000562213569 505541692 /nfs/dbraw/zinc/54/16/92/505541692.db2.gz HOVOIRVPUSGLLP-ZWKOTPCHSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000562213569 505541693 /nfs/dbraw/zinc/54/16/93/505541693.db2.gz HOVOIRVPUSGLLP-ZWKOTPCHSA-N 2 1 356.539 3.163 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000562254279 505553849 /nfs/dbraw/zinc/55/38/49/505553849.db2.gz FYBMLFVKEJCWGO-ZWKOTPCHSA-N 2 1 364.534 3.226 20 0 FGADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564931346 505560710 /nfs/dbraw/zinc/56/07/10/505560710.db2.gz GOLIQQQOTGJWMN-RTWAWAEBSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989519 505565870 /nfs/dbraw/zinc/56/58/70/505565870.db2.gz PNFLNWYEBCCLDV-CAMMJAKZSA-N 2 1 369.509 3.320 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000599313002 506407467 /nfs/dbraw/zinc/40/74/67/506407467.db2.gz XQMNDPDYAASGTE-ZCNNSNEGSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000599313002 506407474 /nfs/dbraw/zinc/40/74/74/506407474.db2.gz XQMNDPDYAASGTE-ZCNNSNEGSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000599313002 506407481 /nfs/dbraw/zinc/40/74/81/506407481.db2.gz XQMNDPDYAASGTE-ZCNNSNEGSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000599313002 506407487 /nfs/dbraw/zinc/40/74/87/506407487.db2.gz XQMNDPDYAASGTE-ZCNNSNEGSA-N 2 1 371.569 3.308 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(OC3CCC3)cc2)CC1 ZINC000608117207 506426171 /nfs/dbraw/zinc/42/61/71/506426171.db2.gz UYTBAYWYNRGWEX-UHFFFAOYSA-N 2 1 366.465 3.017 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000582863422 506461166 /nfs/dbraw/zinc/46/11/66/506461166.db2.gz HFTUQNFHGPEKJC-UBBRYJJRSA-N 2 1 369.553 3.455 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000589203974 506483131 /nfs/dbraw/zinc/48/31/31/506483131.db2.gz KLOFKQHCEYVTKM-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000589209032 506485293 /nfs/dbraw/zinc/48/52/93/506485293.db2.gz KMORRMCRIVOUFN-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000589209032 506485296 /nfs/dbraw/zinc/48/52/96/506485296.db2.gz KMORRMCRIVOUFN-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000589209032 506485298 /nfs/dbraw/zinc/48/52/98/506485298.db2.gz KMORRMCRIVOUFN-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000589209798 506485492 /nfs/dbraw/zinc/48/54/92/506485492.db2.gz XCVPSVSJUDHETG-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000589209798 506485495 /nfs/dbraw/zinc/48/54/95/506485495.db2.gz XCVPSVSJUDHETG-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000589209798 506485497 /nfs/dbraw/zinc/48/54/97/506485497.db2.gz XCVPSVSJUDHETG-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP FC(F)(F)Oc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517468 506540254 /nfs/dbraw/zinc/54/02/54/506540254.db2.gz YFMQYPHIPYKNTQ-QGZVFWFLSA-N 2 1 358.404 3.318 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4[nH]cnc4c3)cc2)C[C@H](C)O1 ZINC000589639025 506615034 /nfs/dbraw/zinc/61/50/34/506615034.db2.gz NWXQLRRNVMDRSY-CALCHBBNSA-N 2 1 364.493 3.462 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@H](C)O1 ZINC000589639025 506615041 /nfs/dbraw/zinc/61/50/41/506615041.db2.gz NWXQLRRNVMDRSY-CALCHBBNSA-N 2 1 364.493 3.462 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@H](C)O1 ZINC000589639025 506615044 /nfs/dbraw/zinc/61/50/44/506615044.db2.gz NWXQLRRNVMDRSY-CALCHBBNSA-N 2 1 364.493 3.462 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000583230566 506661961 /nfs/dbraw/zinc/66/19/61/506661961.db2.gz AKVZESJCDJBAIC-FQEVSTJZSA-N 2 1 374.525 3.019 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112285 506718555 /nfs/dbraw/zinc/71/85/55/506718555.db2.gz SMQCXFBCEHBARD-FPOVZHCZSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078970 506727802 /nfs/dbraw/zinc/72/78/02/506727802.db2.gz MJJHOAANWVNUTN-FPOVZHCZSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171437 506733835 /nfs/dbraw/zinc/73/38/35/506733835.db2.gz KWQFAVUUQZGZJW-PZJWPPBQSA-N 2 1 372.557 3.245 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000612796709 506751229 /nfs/dbraw/zinc/75/12/29/506751229.db2.gz QQCLZWDOOFPQMK-ATKRNPRHSA-N 2 1 371.569 3.178 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1OC(F)F ZINC000583404501 506760072 /nfs/dbraw/zinc/76/00/72/506760072.db2.gz XSJVXZJVYAQTCE-CQSZACIVSA-N 2 1 365.424 3.474 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCSCc3ccccc3)cc2)C1 ZINC000597186130 506822443 /nfs/dbraw/zinc/82/24/43/506822443.db2.gz FJSPDYQIHKBLTI-OAQYLSRUSA-N 2 1 356.535 3.276 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583565148 506851706 /nfs/dbraw/zinc/85/17/06/506851706.db2.gz SJEAYWKSAJPRDV-DEVSCXNHSA-N 2 1 369.553 3.063 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593963853 506854008 /nfs/dbraw/zinc/85/40/08/506854008.db2.gz FCAWMEJRTLRMDG-PZJWPPBQSA-N 2 1 373.516 3.125 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000583698379 506923397 /nfs/dbraw/zinc/92/33/97/506923397.db2.gz YCBMRUCVZMUDRW-LJQANCHMSA-N 2 1 358.457 3.081 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000583698379 506923407 /nfs/dbraw/zinc/92/34/07/506923407.db2.gz YCBMRUCVZMUDRW-LJQANCHMSA-N 2 1 358.457 3.081 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786643 506942565 /nfs/dbraw/zinc/94/25/65/506942565.db2.gz FRTYDTXKBRCWNC-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000583802319 506982500 /nfs/dbraw/zinc/98/25/00/506982500.db2.gz QKSKCKBTBVCRDT-RMVXJAJNSA-N 2 1 372.557 3.371 20 0 FGADMP CC(C)[N@@H+](Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000613249615 506993239 /nfs/dbraw/zinc/99/32/39/506993239.db2.gz NTKMSRITRKFPND-FQEVSTJZSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)C2([NH+](C)C)CC2)cc1)C[C@@H]1CCCCO1 ZINC000613249615 506993245 /nfs/dbraw/zinc/99/32/45/506993245.db2.gz NTKMSRITRKFPND-FQEVSTJZSA-N 2 1 373.541 3.499 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(CC[NH+]3CCCCC3)cc1)CC2 ZINC000583876219 507024244 /nfs/dbraw/zinc/02/42/44/507024244.db2.gz JZSZKEFYYCHVPX-IBGZPJMESA-N 2 1 366.509 3.421 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000583920675 507051359 /nfs/dbraw/zinc/05/13/59/507051359.db2.gz XNUZMVHHNUEFTQ-GGPKGHCWSA-N 2 1 372.557 3.187 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000605182369 507104877 /nfs/dbraw/zinc/10/48/77/507104877.db2.gz OCQLHVBBIIRLFY-LJQANCHMSA-N 2 1 371.569 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605182369 507104879 /nfs/dbraw/zinc/10/48/79/507104879.db2.gz OCQLHVBBIIRLFY-LJQANCHMSA-N 2 1 371.569 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605182369 507104880 /nfs/dbraw/zinc/10/48/80/507104880.db2.gz OCQLHVBBIIRLFY-LJQANCHMSA-N 2 1 371.569 3.404 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152298 507134687 /nfs/dbraw/zinc/13/46/87/507134687.db2.gz JOZSUVVZZDNSOQ-SFTDATJTSA-N 2 1 357.542 3.450 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000605339827 507153810 /nfs/dbraw/zinc/15/38/10/507153810.db2.gz QMJCUSWCLSNLCC-VQTJNVASSA-N 2 1 374.529 3.156 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3Br)C2)CC1 ZINC000610250265 507161441 /nfs/dbraw/zinc/16/14/41/507161441.db2.gz KDVFYOSBYOZEBC-KRWDZBQOSA-N 2 1 366.347 3.049 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3Br)C2)CC1 ZINC000610250265 507161448 /nfs/dbraw/zinc/16/14/48/507161448.db2.gz KDVFYOSBYOZEBC-KRWDZBQOSA-N 2 1 366.347 3.049 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000591407035 507238377 /nfs/dbraw/zinc/23/83/77/507238377.db2.gz YHWUFWZUVMFHPJ-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584290127 507261878 /nfs/dbraw/zinc/26/18/78/507261878.db2.gz FBIWUWLWGZUMND-QWFCFKBJSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000591554111 507290136 /nfs/dbraw/zinc/29/01/36/507290136.db2.gz PITHKYITDSOJFQ-GOSISDBHSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000598175402 507296348 /nfs/dbraw/zinc/29/63/48/507296348.db2.gz GEIRWNHWLVLMRB-QZTJIDSGSA-N 2 1 360.546 3.145 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)c3cccs3)CC2)CC1 ZINC000584359503 507302439 /nfs/dbraw/zinc/30/24/39/507302439.db2.gz DXFAEDCRZGOXPD-UHFFFAOYSA-N 2 1 363.571 3.296 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000595140665 507407168 /nfs/dbraw/zinc/40/71/68/507407168.db2.gz LZUWJAUUPFBRPP-YLJYHZDGSA-N 2 1 353.514 3.089 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595151515 507413147 /nfs/dbraw/zinc/41/31/47/507413147.db2.gz NUMYRSSEERFMAI-GOSISDBHSA-N 2 1 367.541 3.479 20 0 FGADMP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584663721 507437575 /nfs/dbraw/zinc/43/75/75/507437575.db2.gz KBSCJTPUZNYWLH-JOCHJYFZSA-N 2 1 365.521 3.137 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000595381562 507475915 /nfs/dbraw/zinc/47/59/15/507475915.db2.gz LJGYPJYMASMKDO-KRWDZBQOSA-N 2 1 361.530 3.010 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426304 507653713 /nfs/dbraw/zinc/65/37/13/507653713.db2.gz SDUMHOMJNMJADU-NVXWUHKLSA-N 2 1 372.465 3.192 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426304 507653726 /nfs/dbraw/zinc/65/37/26/507653726.db2.gz SDUMHOMJNMJADU-NVXWUHKLSA-N 2 1 372.465 3.192 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481405 507673723 /nfs/dbraw/zinc/67/37/23/507673723.db2.gz IOTUJZQKMSCGJM-ICSRJNTNSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000611498022 507708887 /nfs/dbraw/zinc/70/88/87/507708887.db2.gz BFFBFGSEAHKVCE-HXUWFJFHSA-N 2 1 374.525 3.375 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000480538518 514991952 /nfs/dbraw/zinc/99/19/52/514991952.db2.gz DYZUFRCAUZCOJD-UHFFFAOYSA-N 2 1 361.534 3.100 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC(C)C ZINC000825419942 608328939 /nfs/dbraw/zinc/32/89/39/608328939.db2.gz VXNXRUVSEJOASQ-UHFFFAOYSA-N 2 1 370.545 3.447 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936008 608496782 /nfs/dbraw/zinc/49/67/82/608496782.db2.gz DMHRKGMDXZNHSU-BEFAXECRSA-N 2 1 354.502 3.098 20 0 FGADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000824763021 608523216 /nfs/dbraw/zinc/52/32/16/608523216.db2.gz JMCVXEIVJNLKGA-OAHLLOKOSA-N 2 1 350.470 3.121 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824875950 609133446 /nfs/dbraw/zinc/13/34/46/609133446.db2.gz PSIRSWQGXNQVFU-ZNMIVQPWSA-N 2 1 360.481 3.024 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824875950 609133447 /nfs/dbraw/zinc/13/34/47/609133447.db2.gz PSIRSWQGXNQVFU-ZNMIVQPWSA-N 2 1 360.481 3.024 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824529151 609350442 /nfs/dbraw/zinc/35/04/42/609350442.db2.gz FEEDIRKUAZUDSQ-HDMKZQKVSA-N 2 1 354.502 3.170 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917904 695755741 /nfs/dbraw/zinc/75/57/41/695755741.db2.gz PHMKQTVZZCYKGA-YOEHRIQHSA-N 2 1 353.304 3.292 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859913 700219319 /nfs/dbraw/zinc/21/93/19/700219319.db2.gz KCAYHOSZXFBXSY-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859913 700219324 /nfs/dbraw/zinc/21/93/24/700219324.db2.gz KCAYHOSZXFBXSY-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859913 700219331 /nfs/dbraw/zinc/21/93/31/700219331.db2.gz KCAYHOSZXFBXSY-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Br ZINC000105443776 700501056 /nfs/dbraw/zinc/50/10/56/700501056.db2.gz FKINXJUKJVKHJA-LBPRGKRZSA-N 2 1 352.276 3.389 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784117 700504885 /nfs/dbraw/zinc/50/48/85/700504885.db2.gz LLYPHIOCFLNXQC-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000132831631 700832001 /nfs/dbraw/zinc/83/20/01/700832001.db2.gz PBFBRDXGPWSNMB-GOSISDBHSA-N 2 1 353.551 3.344 20 0 FGADMP CCC(CC)[C@@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000133113071 700835081 /nfs/dbraw/zinc/83/50/81/700835081.db2.gz ZHQLHVGZYNZJDF-CZUORRHYSA-N 2 1 354.926 3.408 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000189154318 712787924 /nfs/dbraw/zinc/78/79/24/712787924.db2.gz CHXIQZAYLJORFG-UHFFFAOYSA-N 2 1 363.855 3.476 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000195174212 713547976 /nfs/dbraw/zinc/54/79/76/713547976.db2.gz PGRDKAYGDWWBKW-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195187765 713548470 /nfs/dbraw/zinc/54/84/70/713548470.db2.gz RLMOKTZLICMNLW-DNVCBOLYSA-N 2 1 350.507 3.064 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000195551784 713559122 /nfs/dbraw/zinc/55/91/22/713559122.db2.gz NUNZELMINCQXLH-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000246881686 713632346 /nfs/dbraw/zinc/63/23/46/713632346.db2.gz CTAJFBQTJFNNSL-ZACQAIPSSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@](C)(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310763990 713800738 /nfs/dbraw/zinc/80/07/38/713800738.db2.gz NGVUITXLRGUKEA-FQEVSTJZSA-N 2 1 351.535 3.240 20 0 FGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000641803212 717930944 /nfs/dbraw/zinc/93/09/44/717930944.db2.gz BOOWFKUYVITSFL-VXGBXAGGSA-N 2 1 350.677 3.301 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000579822736 714498779 /nfs/dbraw/zinc/49/87/79/714498779.db2.gz OIPRTODNFOLHQG-AQNXPRMDSA-N 2 1 364.555 3.059 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1O ZINC000642630934 717985789 /nfs/dbraw/zinc/98/57/89/717985789.db2.gz RRKUWOQSGVNRCS-KBPBESRZSA-N 2 1 369.303 3.270 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1O ZINC000642630934 717985790 /nfs/dbraw/zinc/98/57/90/717985790.db2.gz RRKUWOQSGVNRCS-KBPBESRZSA-N 2 1 369.303 3.270 20 0 FGADMP CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507133 714663321 /nfs/dbraw/zinc/66/33/21/714663321.db2.gz JTXIUOXWOVWTOE-AWEZNQCLSA-N 2 1 371.978 3.454 20 0 FGADMP CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507133 714663322 /nfs/dbraw/zinc/66/33/22/714663322.db2.gz JTXIUOXWOVWTOE-AWEZNQCLSA-N 2 1 371.978 3.454 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000617507399 714663470 /nfs/dbraw/zinc/66/34/70/714663470.db2.gz VJPVGHJZQALXCD-AWEZNQCLSA-N 2 1 371.928 3.145 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1cccc(Cl)c1F ZINC000617507399 714663473 /nfs/dbraw/zinc/66/34/73/714663473.db2.gz VJPVGHJZQALXCD-AWEZNQCLSA-N 2 1 371.928 3.145 20 0 FGADMP Cc1[nH+]ccn1CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000617867383 714698582 /nfs/dbraw/zinc/69/85/82/714698582.db2.gz PSPHJBLCNDIZBH-UHFFFAOYSA-N 2 1 355.467 3.034 20 0 FGADMP Cc1[nH+]ccn1CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617867383 714698587 /nfs/dbraw/zinc/69/85/87/714698587.db2.gz PSPHJBLCNDIZBH-UHFFFAOYSA-N 2 1 355.467 3.034 20 0 FGADMP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000643543753 718038501 /nfs/dbraw/zinc/03/85/01/718038501.db2.gz KPUCHQRDHDNLEC-QZTJIDSGSA-N 2 1 362.470 3.114 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422993 715333224 /nfs/dbraw/zinc/33/32/24/715333224.db2.gz PFTBWVQDOKVHBP-CABCVRRESA-N 2 1 353.457 3.329 20 0 FGADMP CC[N@@H+](CC(=O)N(C)Cc1cccs1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061522 715841648 /nfs/dbraw/zinc/84/16/48/715841648.db2.gz MYIJVDNJVSTUFQ-UHFFFAOYSA-N 2 1 359.539 3.290 20 0 FGADMP Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580383 716311103 /nfs/dbraw/zinc/31/11/03/716311103.db2.gz ABYNPRIABRRJIV-RDJZCZTQSA-N 2 1 365.315 3.415 20 0 FGADMP CCCOc1c(Cl)cc(C[NH2+]CC2([NH3+])CCOCC2)cc1OCC ZINC000629654612 716329355 /nfs/dbraw/zinc/32/93/55/716329355.db2.gz NGAMQBPUTIHMPV-UHFFFAOYSA-N 2 1 356.894 3.125 20 0 FGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H](n1ccnc1)C(F)(F)F ZINC000635443341 717171114 /nfs/dbraw/zinc/17/11/14/717171114.db2.gz GXBKUJJQFUXIRH-HNNXBMFYSA-N 2 1 360.424 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210941 717532622 /nfs/dbraw/zinc/53/26/22/717532622.db2.gz PQEDONOQAMLYFQ-MISYRCLQSA-N 2 1 360.567 3.399 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757695 717599234 /nfs/dbraw/zinc/59/92/34/717599234.db2.gz ONFMLDIFVRHHFT-ZDUSSCGKSA-N 2 1 353.869 3.224 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757695 717599239 /nfs/dbraw/zinc/59/92/39/717599239.db2.gz ONFMLDIFVRHHFT-ZDUSSCGKSA-N 2 1 353.869 3.224 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000644584915 718128968 /nfs/dbraw/zinc/12/89/68/718128968.db2.gz VABQAROBCNLSQH-CTNGQTDRSA-N 2 1 356.535 3.100 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000644584915 718128970 /nfs/dbraw/zinc/12/89/70/718128970.db2.gz VABQAROBCNLSQH-CTNGQTDRSA-N 2 1 356.535 3.100 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000645808376 718243089 /nfs/dbraw/zinc/24/30/89/718243089.db2.gz MNVPEIFVECKNLA-DOTOQJQBSA-N 2 1 351.560 3.101 20 0 FGADMP COc1ccc(Br)cc1C1([NH2+]CCn2cc[nH+]c2C)CC1 ZINC000645974082 718255904 /nfs/dbraw/zinc/25/59/04/718255904.db2.gz FOWONKUHPRXTNA-UHFFFAOYSA-N 2 1 350.260 3.242 20 0 FGADMP OCC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccc(OC(F)(F)F)c1 ZINC000646017395 718258508 /nfs/dbraw/zinc/25/85/08/718258508.db2.gz POXAIZCXPRQFRK-KRWDZBQOSA-N 2 1 360.420 3.474 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103879 718264120 /nfs/dbraw/zinc/26/41/20/718264120.db2.gz RTEKXRHUUHPYHP-CQSZACIVSA-N 2 1 358.404 3.443 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976442 718391440 /nfs/dbraw/zinc/39/14/40/718391440.db2.gz ONVPCKPZNIULBF-IAGOWNOFSA-N 2 1 361.555 3.449 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976291 718391472 /nfs/dbraw/zinc/39/14/72/718391472.db2.gz MOTVEDLHFCAIAU-GJZGRUSLSA-N 2 1 369.962 3.072 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705741 718716819 /nfs/dbraw/zinc/71/68/19/718716819.db2.gz UGWWFEUQURYYJI-VBQJREDUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705611 718717077 /nfs/dbraw/zinc/71/70/77/718717077.db2.gz NSDQFDOPHYXUJQ-USXIJHARSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707861 718717624 /nfs/dbraw/zinc/71/76/24/718717624.db2.gz OKPQTFAZLZKNJV-UNEWFSDZSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722061 718720122 /nfs/dbraw/zinc/72/01/22/718720122.db2.gz JVWJQQYANHGXRQ-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)ccc2F)C1 ZINC000650722061 718720125 /nfs/dbraw/zinc/72/01/25/718720125.db2.gz JVWJQQYANHGXRQ-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000650722095 718720215 /nfs/dbraw/zinc/72/02/15/718720215.db2.gz KPAGCEJWMYUJFD-YUELXQCFSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723164 718720792 /nfs/dbraw/zinc/72/07/92/718720792.db2.gz IETRBIBSCDKGNS-FHLIZLRMSA-N 2 1 358.511 3.066 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1SC ZINC000650723676 718721303 /nfs/dbraw/zinc/72/13/03/718721303.db2.gz RPFFIEOXYNZTKP-ZACQAIPSSA-N 2 1 350.528 3.278 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164410770 718876228 /nfs/dbraw/zinc/87/62/28/718876228.db2.gz GWDVYOKTTQUQCQ-HOTGVXAUSA-N 2 1 371.554 3.235 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000652352696 718935797 /nfs/dbraw/zinc/93/57/97/718935797.db2.gz NYWHNUHEJWGWBC-IWEFOYFVSA-N 2 1 368.308 3.160 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000652352696 718935799 /nfs/dbraw/zinc/93/57/99/718935799.db2.gz NYWHNUHEJWGWBC-IWEFOYFVSA-N 2 1 368.308 3.160 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362254 718936807 /nfs/dbraw/zinc/93/68/07/718936807.db2.gz BKSSGFALQXJPCT-BHIYHBOVSA-N 2 1 352.906 3.470 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccc(Cl)cc1 ZINC000655718386 719329278 /nfs/dbraw/zinc/32/92/78/719329278.db2.gz MXLJIQINKOJFSZ-BEFAXECRSA-N 2 1 352.906 3.340 20 0 FGADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000655724632 719329974 /nfs/dbraw/zinc/32/99/74/719329974.db2.gz WDHJKMQUUGKMJH-UHFFFAOYSA-N 2 1 374.286 3.238 20 0 FGADMP CC[N@@H+](CCCNC1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655792741 719340332 /nfs/dbraw/zinc/34/03/32/719340332.db2.gz OFKLYDMECVQVSX-OAQYLSRUSA-N 2 1 351.579 3.264 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000656788478 719471224 /nfs/dbraw/zinc/47/12/24/719471224.db2.gz QZORJRKYYQDBPZ-UHFFFAOYSA-N 2 1 357.292 3.218 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cc3ccncc3s2)CC[N@H+](Cc2ccccc2)C1 ZINC000657373564 719635649 /nfs/dbraw/zinc/63/56/49/719635649.db2.gz ZELVAUGTRYDQLQ-HXUWFJFHSA-N 2 1 353.491 3.023 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cc3ccncc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000657373564 719635654 /nfs/dbraw/zinc/63/56/54/719635654.db2.gz ZELVAUGTRYDQLQ-HXUWFJFHSA-N 2 1 353.491 3.023 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000658036785 719746563 /nfs/dbraw/zinc/74/65/63/719746563.db2.gz RGJGDFHBILJXQK-IEBWSBKVSA-N 2 1 352.469 3.201 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(CF)(CF)C1 ZINC000658036785 719746565 /nfs/dbraw/zinc/74/65/65/719746565.db2.gz RGJGDFHBILJXQK-IEBWSBKVSA-N 2 1 352.469 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660153726 719998194 /nfs/dbraw/zinc/99/81/94/719998194.db2.gz HEMAKDPUEBPUKJ-APWZRJJASA-N 2 1 367.990 3.390 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338950 720032996 /nfs/dbraw/zinc/03/29/96/720032996.db2.gz NSTJUPUPRLRRHR-IRXDYDNUSA-N 2 1 366.575 3.303 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656950 720092818 /nfs/dbraw/zinc/09/28/18/720092818.db2.gz CHMMIDRHWHQTQJ-MSOLQXFVSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656950 720092821 /nfs/dbraw/zinc/09/28/21/720092821.db2.gz CHMMIDRHWHQTQJ-MSOLQXFVSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656950 720092827 /nfs/dbraw/zinc/09/28/27/720092827.db2.gz CHMMIDRHWHQTQJ-MSOLQXFVSA-N 2 1 356.432 3.027 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663042 720095399 /nfs/dbraw/zinc/09/53/99/720095399.db2.gz MVAXVYHADLIIKN-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663042 720095402 /nfs/dbraw/zinc/09/54/02/720095402.db2.gz MVAXVYHADLIIKN-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663042 720095405 /nfs/dbraw/zinc/09/54/05/720095405.db2.gz MVAXVYHADLIIKN-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000660663042 720095419 /nfs/dbraw/zinc/09/54/19/720095419.db2.gz MVAXVYHADLIIKN-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404272 720243020 /nfs/dbraw/zinc/24/30/20/720243020.db2.gz VZSIHZBZVOVMLG-SJORKVTESA-N 2 1 366.937 3.115 20 0 FGADMP CCC[N@H+]1CC[C@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000661948279 720348130 /nfs/dbraw/zinc/34/81/30/720348130.db2.gz HJKDNKSAAKCFGH-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP Brc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252793 720405193 /nfs/dbraw/zinc/40/51/93/720405193.db2.gz OXAOOBKRKAATGA-JKSUJKDBSA-N 2 1 351.288 3.107 20 0 FGADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281606 720409363 /nfs/dbraw/zinc/40/93/63/720409363.db2.gz YOSNHMFEGNROKB-WBVHZDCISA-N 2 1 365.315 3.415 20 0 FGADMP C[N@@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281404 720409468 /nfs/dbraw/zinc/40/94/68/720409468.db2.gz WMFYYXYQTFPCKR-CYBMUJFWSA-N 2 1 359.695 3.055 20 0 FGADMP C[N@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662281404 720409469 /nfs/dbraw/zinc/40/94/69/720409469.db2.gz WMFYYXYQTFPCKR-CYBMUJFWSA-N 2 1 359.695 3.055 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291240 720410285 /nfs/dbraw/zinc/41/02/85/720410285.db2.gz QCIXCNLLTPRYDS-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1c1ccccc1Cl ZINC000662291347 720410296 /nfs/dbraw/zinc/41/02/96/720410296.db2.gz FDUMFPFXEWXXBC-APWZRJJASA-N 2 1 361.917 3.157 20 0 FGADMP O=C1[C@@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295209 720411576 /nfs/dbraw/zinc/41/15/76/720411576.db2.gz FYTHBKYEAUEELA-LPHOPBHVSA-N 2 1 361.917 3.157 20 0 FGADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@@H]1CC1(C)C ZINC000662345819 720417546 /nfs/dbraw/zinc/41/75/46/720417546.db2.gz MDTVMZQWSORUPR-KRWDZBQOSA-N 2 1 361.555 3.152 20 0 FGADMP C[NH2+][C@@H](C(=O)NCCC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662432981 720428131 /nfs/dbraw/zinc/42/81/31/720428131.db2.gz WTFRDIYZZZOIIL-MRXNPFEDSA-N 2 1 358.313 3.102 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662524144 720437956 /nfs/dbraw/zinc/43/79/56/720437956.db2.gz UKDSDDFSFKHXGL-BBRMVZONSA-N 2 1 370.335 3.076 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662664333 720450879 /nfs/dbraw/zinc/45/08/79/720450879.db2.gz RPKBHCXFICIVRA-GOSISDBHSA-N 2 1 361.917 3.268 20 0 FGADMP C[NH2+][C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1Cl ZINC000662741999 720455872 /nfs/dbraw/zinc/45/58/72/720455872.db2.gz KSIUAQXZMYJIMO-SXBLYGPUSA-N 2 1 370.324 3.385 20 0 FGADMP C[NH2+][C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1Cl ZINC000662741999 720455874 /nfs/dbraw/zinc/45/58/74/720455874.db2.gz KSIUAQXZMYJIMO-SXBLYGPUSA-N 2 1 370.324 3.385 20 0 FGADMP Clc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc2c1OCCO2 ZINC000663346600 720503533 /nfs/dbraw/zinc/50/35/33/720503533.db2.gz ALMXQVRKZPCNHS-HNNXBMFYSA-N 2 1 350.890 3.323 20 0 FGADMP Clc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc2c1OCCO2 ZINC000663346600 720503535 /nfs/dbraw/zinc/50/35/35/720503535.db2.gz ALMXQVRKZPCNHS-HNNXBMFYSA-N 2 1 350.890 3.323 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663455095 720516745 /nfs/dbraw/zinc/51/67/45/720516745.db2.gz FJNLEWLYMPTHNR-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000663455095 720516749 /nfs/dbraw/zinc/51/67/49/720516749.db2.gz FJNLEWLYMPTHNR-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP Cc1c[nH+]c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1N ZINC001164842331 720708552 /nfs/dbraw/zinc/70/85/52/720708552.db2.gz YISWPZQLVSZPJH-LJQANCHMSA-N 2 1 366.509 3.232 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)C(C)(C)CC)CC2)CC1 ZINC000665782769 720818246 /nfs/dbraw/zinc/81/82/46/720818246.db2.gz JGIGURQXDVNDBP-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@@H](C)C(C)(C)CC)CC2)CC1 ZINC000665782769 720818252 /nfs/dbraw/zinc/81/82/52/720818252.db2.gz JGIGURQXDVNDBP-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855233 720991115 /nfs/dbraw/zinc/99/11/15/720991115.db2.gz GRRORJIQSWSOFX-MRXNPFEDSA-N 2 1 371.319 3.096 20 0 FGADMP Fc1cncc(Br)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667708366 721161510 /nfs/dbraw/zinc/16/15/10/721161510.db2.gz AFEUKALRTQYTTB-PXAZEXFGSA-N 2 1 368.294 3.432 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)[nH+]1 ZINC001164903477 721539095 /nfs/dbraw/zinc/53/90/95/721539095.db2.gz CZPCDXRIFPIEJE-FUHWJXTLSA-N 2 1 366.440 3.352 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164909322 721539158 /nfs/dbraw/zinc/53/91/58/721539158.db2.gz RKLJYEKSEZXTBY-PXNSSMCTSA-N 2 1 371.456 3.350 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164909322 721539160 /nfs/dbraw/zinc/53/91/60/721539160.db2.gz RKLJYEKSEZXTBY-PXNSSMCTSA-N 2 1 371.456 3.350 20 0 FGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801665 721916533 /nfs/dbraw/zinc/91/65/33/721916533.db2.gz ZDDWMPPQZFBAGH-KRWDZBQOSA-N 2 1 355.448 3.306 20 0 FGADMP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@H+](Cc2ccncc2)C3)c(C)c1 ZINC001164962319 722055575 /nfs/dbraw/zinc/05/55/75/722055575.db2.gz CWMCFASRYZWRMC-UHFFFAOYSA-N 2 1 366.509 3.212 20 0 FGADMP Cc1c[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c(C)c1 ZINC001164962319 722055576 /nfs/dbraw/zinc/05/55/76/722055576.db2.gz CWMCFASRYZWRMC-UHFFFAOYSA-N 2 1 366.509 3.212 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1(C)C ZINC000685043657 722372650 /nfs/dbraw/zinc/37/26/50/722372650.db2.gz YOQXXEHYNVUTLX-UHFFFAOYSA-N 2 1 361.864 3.057 20 0 FGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700802282 722409825 /nfs/dbraw/zinc/40/98/25/722409825.db2.gz HJQNIIVBGHLZJY-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458760 722413197 /nfs/dbraw/zinc/41/31/97/722413197.db2.gz OFBJUYLKQVHILF-XDNAFOTISA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000721042115 722419807 /nfs/dbraw/zinc/41/98/07/722419807.db2.gz ORMWRZSYUNNONB-VUCRHFMTSA-N 2 1 351.535 3.094 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1I ZINC000729681169 722461628 /nfs/dbraw/zinc/46/16/28/722461628.db2.gz FSQRFGGZSDWTSC-GFCCVEGCSA-N 2 1 369.250 3.222 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667344 722613265 /nfs/dbraw/zinc/61/32/65/722613265.db2.gz IWJOIVNWSZKITF-QAPCUYQASA-N 2 1 367.331 3.146 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667344 722613266 /nfs/dbraw/zinc/61/32/66/722613266.db2.gz IWJOIVNWSZKITF-QAPCUYQASA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667344 722613267 /nfs/dbraw/zinc/61/32/67/722613267.db2.gz IWJOIVNWSZKITF-QAPCUYQASA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000746667344 722613268 /nfs/dbraw/zinc/61/32/68/722613268.db2.gz IWJOIVNWSZKITF-QAPCUYQASA-N 2 1 367.331 3.146 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755047060 722949670 /nfs/dbraw/zinc/94/96/70/722949670.db2.gz DRQDVXXRERREQB-BZSNNMDCSA-N 2 1 353.551 3.344 20 0 FGADMP CC[C@@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780582 722956857 /nfs/dbraw/zinc/95/68/57/722956857.db2.gz ZSVNIHPONZJFHZ-NVXWUHKLSA-N 2 1 363.571 3.046 20 0 FGADMP CC[C@@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780582 722956858 /nfs/dbraw/zinc/95/68/58/722956858.db2.gz ZSVNIHPONZJFHZ-NVXWUHKLSA-N 2 1 363.571 3.046 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791450269 723245374 /nfs/dbraw/zinc/24/53/74/723245374.db2.gz VKZCTDVZGXTFGX-UHFFFAOYSA-N 2 1 366.571 3.045 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)Cc2ccccc2)CC1 ZINC000791450269 723245377 /nfs/dbraw/zinc/24/53/77/723245377.db2.gz VKZCTDVZGXTFGX-UHFFFAOYSA-N 2 1 366.571 3.045 20 0 FGADMP Cc1c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483052 723247311 /nfs/dbraw/zinc/24/73/11/723247311.db2.gz OHQBXYBHVNVNMZ-CYBMUJFWSA-N 2 1 362.543 3.207 20 0 FGADMP Cc1c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483052 723247317 /nfs/dbraw/zinc/24/73/17/723247317.db2.gz OHQBXYBHVNVNMZ-CYBMUJFWSA-N 2 1 362.543 3.207 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764469283 723416166 /nfs/dbraw/zinc/41/61/66/723416166.db2.gz OFFNEQUQIJXHFM-YJBOKZPZSA-N 2 1 369.525 3.459 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764469283 723416169 /nfs/dbraw/zinc/41/61/69/723416169.db2.gz OFFNEQUQIJXHFM-YJBOKZPZSA-N 2 1 369.525 3.459 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000764928543 723460107 /nfs/dbraw/zinc/46/01/07/723460107.db2.gz ONLCDLYWVVAKQG-ILXRZTDVSA-N 2 1 352.910 3.305 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000764928543 723460108 /nfs/dbraw/zinc/46/01/08/723460108.db2.gz ONLCDLYWVVAKQG-ILXRZTDVSA-N 2 1 352.910 3.305 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000766251753 723564599 /nfs/dbraw/zinc/56/45/99/723564599.db2.gz FIEUNJIRSBNXLV-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000796522023 723641431 /nfs/dbraw/zinc/64/14/31/723641431.db2.gz KERCHJTYPBHIMW-FBVQUNGASA-N 2 1 351.535 3.381 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000796522023 723641432 /nfs/dbraw/zinc/64/14/32/723641432.db2.gz KERCHJTYPBHIMW-FBVQUNGASA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000796692976 723650437 /nfs/dbraw/zinc/65/04/37/723650437.db2.gz CHDMXJUTXKURII-HDICACEKSA-N 2 1 353.551 3.201 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@H]2CCC[C@@H]21 ZINC000796748418 723653284 /nfs/dbraw/zinc/65/32/84/723653284.db2.gz LCWZVORPUABLAU-SQNIBIBYSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+](C)C1(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC000798946126 723977975 /nfs/dbraw/zinc/97/79/75/723977975.db2.gz CEWMFQOAQWULOS-LJQANCHMSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)cc12 ZINC000798956858 723979595 /nfs/dbraw/zinc/97/95/95/723979595.db2.gz DXVWCUQTNSSLHP-UHFFFAOYSA-N 2 1 361.921 3.238 20 0 FGADMP C[C@@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1)[NH+](C)C ZINC000785586738 724923060 /nfs/dbraw/zinc/92/30/60/724923060.db2.gz COCSLDGMLPIQJQ-ZDUSSCGKSA-N 2 1 363.893 3.155 20 0 FGADMP C[C@@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)[NH+](C)C ZINC000785586738 724923062 /nfs/dbraw/zinc/92/30/62/724923062.db2.gz COCSLDGMLPIQJQ-ZDUSSCGKSA-N 2 1 363.893 3.155 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525036 725070417 /nfs/dbraw/zinc/07/04/17/725070417.db2.gz AYTASEJNIOJDCF-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826638 725098503 /nfs/dbraw/zinc/09/85/03/725098503.db2.gz FNLYLDFTCOGORH-RTBURBONSA-N 2 1 351.535 3.384 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826638 725098507 /nfs/dbraw/zinc/09/85/07/725098507.db2.gz FNLYLDFTCOGORH-RTBURBONSA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826638 725098510 /nfs/dbraw/zinc/09/85/10/725098510.db2.gz FNLYLDFTCOGORH-RTBURBONSA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826638 725098514 /nfs/dbraw/zinc/09/85/14/725098514.db2.gz FNLYLDFTCOGORH-RTBURBONSA-N 2 1 351.535 3.384 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000810487352 725310258 /nfs/dbraw/zinc/31/02/58/725310258.db2.gz QSBATPCWLALIJZ-LBXVMSDZSA-N 2 1 353.526 3.112 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525720 725372627 /nfs/dbraw/zinc/37/26/27/725372627.db2.gz XXCYLRUMLVROAB-KHYOSLBOSA-N 2 1 353.482 3.038 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000812715595 726806307 /nfs/dbraw/zinc/80/63/07/726806307.db2.gz LVKOVNWZAFCECO-CRAIPNDOSA-N 2 1 351.535 3.238 20 0 FGADMP O[C@@H]1CCC[NH+](CCCCCCCCC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000815301197 727062550 /nfs/dbraw/zinc/06/25/50/727062550.db2.gz TZJVXKUZXWBDSF-OYRHEFFESA-N 2 1 354.579 3.411 20 0 FGADMP O[C@@H]1CCC[N@@H+](CCCCCCCCC[NH+]2CCC[C@H](O)CC2)CC1 ZINC000815301197 727062552 /nfs/dbraw/zinc/06/25/52/727062552.db2.gz TZJVXKUZXWBDSF-OYRHEFFESA-N 2 1 354.579 3.411 20 0 FGADMP O[C@@H]1CCC[N@H+](CCCCCCCCC[NH+]2CCC[C@H](O)CC2)CC1 ZINC000815301197 727062557 /nfs/dbraw/zinc/06/25/57/727062557.db2.gz TZJVXKUZXWBDSF-OYRHEFFESA-N 2 1 354.579 3.411 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCn2ccnc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294185 727237421 /nfs/dbraw/zinc/23/74/21/727237421.db2.gz VGPXPWFADPRBFY-IXDOHACOSA-N 2 1 350.507 3.144 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818339910 727308160 /nfs/dbraw/zinc/30/81/60/727308160.db2.gz FYUBAFLMJWWVOS-ZDUSSCGKSA-N 2 1 369.481 3.404 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000818984269 727334553 /nfs/dbraw/zinc/33/45/53/727334553.db2.gz CLMBMUQCPQQITE-WMLDXEAASA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000823465421 729283136 /nfs/dbraw/zinc/28/31/36/729283136.db2.gz YBRDNZXHMOTDCC-QZTJIDSGSA-N 2 1 353.551 3.201 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666706 729297347 /nfs/dbraw/zinc/29/73/47/729297347.db2.gz QNVZJOAHEQMZCN-ZJPYXAASSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395602 729336127 /nfs/dbraw/zinc/33/61/27/729336127.db2.gz HUSOKDIKSXYOPS-BDXSIMOUSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395602 729336129 /nfs/dbraw/zinc/33/61/29/729336129.db2.gz HUSOKDIKSXYOPS-BDXSIMOUSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395602 729336130 /nfs/dbraw/zinc/33/61/30/729336130.db2.gz HUSOKDIKSXYOPS-BDXSIMOUSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395602 729336133 /nfs/dbraw/zinc/33/61/33/729336133.db2.gz HUSOKDIKSXYOPS-BDXSIMOUSA-N 2 1 353.551 3.294 20 0 FGADMP [NH3+]CCCCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000829148874 729461696 /nfs/dbraw/zinc/46/16/96/729461696.db2.gz ZIAGKEFCGYZWFW-SFHVURJKSA-N 2 1 351.922 3.330 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645072 729724854 /nfs/dbraw/zinc/72/48/54/729724854.db2.gz GPGNZYFQWYHBAS-HOCLYGCPSA-N 2 1 350.507 3.205 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000834907286 729845318 /nfs/dbraw/zinc/84/53/18/729845318.db2.gz NBMYWARDLDOGPS-PNKHAZJDSA-N 2 1 351.535 3.142 20 0 FGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810341 730177639 /nfs/dbraw/zinc/17/76/39/730177639.db2.gz RWAWHJQBEIXLAU-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1SC(F)F ZINC000842473351 730506671 /nfs/dbraw/zinc/50/66/71/730506671.db2.gz YLQJOAMEFBZNBR-AWEZNQCLSA-N 2 1 369.481 3.404 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403421 730713376 /nfs/dbraw/zinc/71/33/76/730713376.db2.gz VZYHOWIGRNAPFA-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403421 730713380 /nfs/dbraw/zinc/71/33/80/730713380.db2.gz VZYHOWIGRNAPFA-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccccc1I ZINC000844905048 730787357 /nfs/dbraw/zinc/78/73/57/730787357.db2.gz SYFYFORBGWVVKP-UHFFFAOYSA-N 2 1 366.246 3.300 20 0 FGADMP CC(C)C[N@@H+](C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000845996913 730917048 /nfs/dbraw/zinc/91/70/48/730917048.db2.gz TXRLMEOIMRQSEY-AYHJJNSGSA-N 2 1 353.551 3.484 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848571134 731183794 /nfs/dbraw/zinc/18/37/94/731183794.db2.gz DIRGNDALFVHNNO-QGZVFWFLSA-N 2 1 351.535 3.238 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)C1 ZINC000850357355 731348214 /nfs/dbraw/zinc/34/82/14/731348214.db2.gz GRVVDYVDUKJQPY-MRXNPFEDSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3Cl)cc2)C1 ZINC000850357355 731348215 /nfs/dbraw/zinc/34/82/15/731348215.db2.gz GRVVDYVDUKJQPY-MRXNPFEDSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554452 731372513 /nfs/dbraw/zinc/37/25/13/731372513.db2.gz DARCQHDNFUWDIB-QAPCUYQASA-N 2 1 373.324 3.260 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109299 731544498 /nfs/dbraw/zinc/54/44/98/731544498.db2.gz ZCQPLPDDGZHNKO-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109299 731544499 /nfs/dbraw/zinc/54/44/99/731544499.db2.gz ZCQPLPDDGZHNKO-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C2 ZINC000852109299 731544501 /nfs/dbraw/zinc/54/45/01/731544501.db2.gz ZCQPLPDDGZHNKO-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1cnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)s1 ZINC000856558114 732038842 /nfs/dbraw/zinc/03/88/42/732038842.db2.gz FBNCJOIOFILSDX-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cnc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)s1 ZINC000856558114 732038845 /nfs/dbraw/zinc/03/88/45/732038845.db2.gz FBNCJOIOFILSDX-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cnc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856558114 732038851 /nfs/dbraw/zinc/03/88/51/732038851.db2.gz FBNCJOIOFILSDX-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cnc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856558114 732038857 /nfs/dbraw/zinc/03/88/57/732038857.db2.gz FBNCJOIOFILSDX-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC000856776368 732058633 /nfs/dbraw/zinc/05/86/33/732058633.db2.gz QOSDKHJUUZITLT-NZSAHSFTSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC000856776368 732058636 /nfs/dbraw/zinc/05/86/36/732058636.db2.gz QOSDKHJUUZITLT-NZSAHSFTSA-N 2 1 358.917 3.464 20 0 FGADMP [NH3+]CCc1noc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccs2)n1 ZINC000863652016 732990452 /nfs/dbraw/zinc/99/04/52/732990452.db2.gz OLWYNWLUALJGEP-HZPDHXFCSA-N 2 1 354.479 3.016 20 0 FGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000865497018 733214087 /nfs/dbraw/zinc/21/40/87/733214087.db2.gz XKPCWOVSEDOWST-WOJBJXKFSA-N 2 1 350.478 3.082 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819077 733275158 /nfs/dbraw/zinc/27/51/58/733275158.db2.gz BCYNYZHGTIVKPN-KBAYOESNSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+]1CCC([NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872017887 735576676 /nfs/dbraw/zinc/57/66/76/735576676.db2.gz GIDLCPALQMAHLU-RHSMWYFYSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCCCC[NH3+] ZINC000872155611 735596944 /nfs/dbraw/zinc/59/69/44/735596944.db2.gz WGXDRSBNYZKJAQ-ZDUSSCGKSA-N 2 1 356.308 3.227 20 0 FGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157709 735597168 /nfs/dbraw/zinc/59/71/68/735597168.db2.gz PUXNJXAWCHRGSE-MISYRCLQSA-N 2 1 350.547 3.192 20 0 FGADMP Cc1sc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1Br ZINC000873080886 735718247 /nfs/dbraw/zinc/71/82/47/735718247.db2.gz VICJXVLGTXMIFU-JKSUJKDBSA-N 2 1 373.360 3.286 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876951916 736167100 /nfs/dbraw/zinc/16/71/00/736167100.db2.gz RLGSARGQHUDMFV-BSEYFRJRSA-N 2 1 350.403 3.388 20 0 FGADMP Clc1ccc2sc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2n1 ZINC000877635689 736697225 /nfs/dbraw/zinc/69/72/25/736697225.db2.gz BQGQHNPNPQZUNH-CYBMUJFWSA-N 2 1 351.903 3.293 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879247636 736972379 /nfs/dbraw/zinc/97/23/79/736972379.db2.gz FOHMZTYBTAKSRC-INIZCTEOSA-N 2 1 350.507 3.111 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000880473002 737178358 /nfs/dbraw/zinc/17/83/58/737178358.db2.gz LGXYMCRTSMRRLO-UHFFFAOYSA-N 2 1 360.889 3.493 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000892516874 740011384 /nfs/dbraw/zinc/01/13/84/740011384.db2.gz QBKPOVNMTUJXFN-ZNMIVQPWSA-N 2 1 352.441 3.217 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C[C@H]1C(F)(F)F ZINC000892741446 740039553 /nfs/dbraw/zinc/03/95/53/740039553.db2.gz AXWXQVHQRIKVED-QKPAOTATSA-N 2 1 364.452 3.218 20 0 FGADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893209587 742124671 /nfs/dbraw/zinc/12/46/71/742124671.db2.gz LIBLQPIGLKCNRT-JZRNTERHSA-N 2 1 351.897 3.439 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328279 742140731 /nfs/dbraw/zinc/14/07/31/742140731.db2.gz WPJQOLHVXQOXLA-MOPGFXCFSA-N 2 1 350.478 3.250 20 0 FGADMP Brc1cnn(CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)c1 ZINC000903164688 743815463 /nfs/dbraw/zinc/81/54/63/743815463.db2.gz MNSVZSRMEFNOPX-ZXFUBFMLSA-N 2 1 367.335 3.173 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000903293463 743834833 /nfs/dbraw/zinc/83/48/33/743834833.db2.gz SMIQQLCUZBINGF-YCPHGPKFSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000903293463 743834838 /nfs/dbraw/zinc/83/48/38/743834838.db2.gz SMIQQLCUZBINGF-YCPHGPKFSA-N 2 1 351.288 3.489 20 0 FGADMP C[C@@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709355 744045685 /nfs/dbraw/zinc/04/56/85/744045685.db2.gz LNSVMNNEOVIHIJ-XMTFNYHQSA-N 2 1 356.432 3.190 20 0 FGADMP CCC(CC)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757293 762160149 /nfs/dbraw/zinc/16/01/49/762160149.db2.gz YPNRBHAUWSTQRX-IPMKNSEASA-N 2 1 351.579 3.370 20 0 FGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757293 762160153 /nfs/dbraw/zinc/16/01/53/762160153.db2.gz YPNRBHAUWSTQRX-IPMKNSEASA-N 2 1 351.579 3.370 20 0 FGADMP CCC(CC)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757293 762160157 /nfs/dbraw/zinc/16/01/57/762160157.db2.gz YPNRBHAUWSTQRX-IPMKNSEASA-N 2 1 351.579 3.370 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000948388816 762328449 /nfs/dbraw/zinc/32/84/49/762328449.db2.gz KJOVCENNXUHQLB-CEXWTWQISA-N 2 1 363.571 3.291 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccsc3)CC2)CC[NH+]1C ZINC000948388816 762328459 /nfs/dbraw/zinc/32/84/59/762328459.db2.gz KJOVCENNXUHQLB-CEXWTWQISA-N 2 1 363.571 3.291 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccsc3)CC2)CC[NH+]1C ZINC000948388816 762328465 /nfs/dbraw/zinc/32/84/65/762328465.db2.gz KJOVCENNXUHQLB-CEXWTWQISA-N 2 1 363.571 3.291 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385289 758909164 /nfs/dbraw/zinc/90/91/64/758909164.db2.gz ADXWLKUOVHNEMK-KLHDSHLOSA-N 2 1 373.360 3.080 20 0 FGADMP Cc1nc2ccc(C[NH2+][C@@H]3C[C@]4(C[N@H+](C)[C@@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391186 758911639 /nfs/dbraw/zinc/91/16/39/758911639.db2.gz UKDDODOEDKVHCI-HNBVOPMISA-N 2 1 359.539 3.174 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382343 759108823 /nfs/dbraw/zinc/10/88/23/759108823.db2.gz CGEUVJZCZXVJAI-RHSMWYFYSA-N 2 1 356.432 3.073 20 0 FGADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390915 759109930 /nfs/dbraw/zinc/10/99/30/759109930.db2.gz ZOSSUGPXLCOAPP-JYJNAYRXSA-N 2 1 351.560 3.467 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924663201 759370171 /nfs/dbraw/zinc/37/01/71/759370171.db2.gz ZMPWUXVGSUBNPS-SFHVURJKSA-N 2 1 350.938 3.120 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)CCCC2)CC1 ZINC000925000281 759430622 /nfs/dbraw/zinc/43/06/22/759430622.db2.gz SUIZRCIBVWIODA-AZUAARDMSA-N 2 1 350.547 3.205 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)CC2)cs1 ZINC000925032299 759433739 /nfs/dbraw/zinc/43/37/39/759433739.db2.gz ULZCPTDJVUOEPH-QWHZDKJVSA-N 2 1 351.560 3.178 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000925776957 759533865 /nfs/dbraw/zinc/53/38/65/759533865.db2.gz BKXWVILMUYUJJC-PWSUYJOCSA-N 2 1 363.246 3.353 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H](C)c3cc(O)cc(F)c3)C2)[C@@H]1C(C)C ZINC000926878169 759835432 /nfs/dbraw/zinc/83/54/32/759835432.db2.gz FFOMVZLJCLSJQS-XGBLFZJKSA-N 2 1 350.478 3.052 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930062421 760519464 /nfs/dbraw/zinc/51/94/64/760519464.db2.gz XCKDHNGHFLIJDN-SJORKVTESA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930062421 760519470 /nfs/dbraw/zinc/51/94/70/760519470.db2.gz XCKDHNGHFLIJDN-SJORKVTESA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@](C)(CO)c1cccc(Br)c1 ZINC000934497632 761638729 /nfs/dbraw/zinc/63/87/29/761638729.db2.gz WXOIFKMELPONAI-KRWDZBQOSA-N 2 1 366.303 3.232 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000960012422 762730695 /nfs/dbraw/zinc/73/06/95/762730695.db2.gz XHDIRKZWHHBPIF-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000971572858 762915023 /nfs/dbraw/zinc/91/50/23/762915023.db2.gz PDUGJRDGUZGOTO-GBESFXJTSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC000971572858 762915027 /nfs/dbraw/zinc/91/50/27/762915027.db2.gz PDUGJRDGUZGOTO-GBESFXJTSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC000971572858 762915032 /nfs/dbraw/zinc/91/50/32/762915032.db2.gz PDUGJRDGUZGOTO-GBESFXJTSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](C/C=C/Cl)CC2)CC[N@H+]1C ZINC000998006641 765091888 /nfs/dbraw/zinc/09/18/88/765091888.db2.gz LKTUCIALAWZUAH-ASXKKBSPSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@H+](C/C=C/Cl)CC2)CC[NH+]1C ZINC000998006641 765091894 /nfs/dbraw/zinc/09/18/94/765091894.db2.gz LKTUCIALAWZUAH-ASXKKBSPSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@@H+](C/C=C/Cl)CC2)CC[NH+]1C ZINC000998006641 765091904 /nfs/dbraw/zinc/09/19/04/765091904.db2.gz LKTUCIALAWZUAH-ASXKKBSPSA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001022103472 765973477 /nfs/dbraw/zinc/97/34/77/765973477.db2.gz HYDVALXSNCMSPH-LQDZTQBFSA-N 2 1 363.933 3.368 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@H+]1C ZINC001022104069 765974026 /nfs/dbraw/zinc/97/40/26/765974026.db2.gz SQIPXCHAUAASAH-KLWIRTJPSA-N 2 1 370.324 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001026855741 766083280 /nfs/dbraw/zinc/08/32/80/766083280.db2.gz MOPNBXUQUAMQNN-YTQUADARSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2Cl)CC[N@H+]1C ZINC001027892838 766104348 /nfs/dbraw/zinc/10/43/48/766104348.db2.gz DYCBASRBNAGCSB-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001027892838 766104350 /nfs/dbraw/zinc/10/43/50/766104350.db2.gz DYCBASRBNAGCSB-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001027892838 766104353 /nfs/dbraw/zinc/10/43/53/766104353.db2.gz DYCBASRBNAGCSB-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046331231 766585315 /nfs/dbraw/zinc/58/53/15/766585315.db2.gz HNLDFECGJWOBSW-ZTNFWEORSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331231 766585321 /nfs/dbraw/zinc/58/53/21/766585321.db2.gz HNLDFECGJWOBSW-ZTNFWEORSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331231 766585330 /nfs/dbraw/zinc/58/53/30/766585330.db2.gz HNLDFECGJWOBSW-ZTNFWEORSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056154016 257348724 /nfs/dbraw/zinc/34/87/24/257348724.db2.gz OPWPAFDTEQESSJ-UWJYYQICSA-N 2 1 351.494 3.235 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056154016 257348726 /nfs/dbraw/zinc/34/87/26/257348726.db2.gz OPWPAFDTEQESSJ-UWJYYQICSA-N 2 1 351.494 3.235 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000035162002 257337468 /nfs/dbraw/zinc/33/74/68/257337468.db2.gz BOLUPEDVPXZSTN-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000088183226 494211227 /nfs/dbraw/zinc/21/12/27/494211227.db2.gz QJTWGHRNEMUYNO-UHFFFAOYSA-N 2 1 358.267 3.113 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)C[C@H](C)O1 ZINC000570800534 505583324 /nfs/dbraw/zinc/58/33/24/505583324.db2.gz RTAUKIUOPPGEDS-IYBDPMFKSA-N 2 1 365.477 3.151 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)C[C@H](C)O1 ZINC000570800534 505583327 /nfs/dbraw/zinc/58/33/27/505583327.db2.gz RTAUKIUOPPGEDS-IYBDPMFKSA-N 2 1 365.477 3.151 20 0 FGADMP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576766235 505589052 /nfs/dbraw/zinc/58/90/52/505589052.db2.gz TWPXUMMHFSTEBQ-QGZVFWFLSA-N 2 1 365.949 3.339 20 0 FGADMP CCOc1cccc(Cl)c1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576766235 505589053 /nfs/dbraw/zinc/58/90/53/505589053.db2.gz TWPXUMMHFSTEBQ-QGZVFWFLSA-N 2 1 365.949 3.339 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@]2(C)CCCO)CC1 ZINC000576789078 505594314 /nfs/dbraw/zinc/59/43/14/505594314.db2.gz AFXZZTGMOJKRQA-JOCHJYFZSA-N 2 1 359.558 3.346 20 0 FGADMP COc1ncccc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000573734551 505607251 /nfs/dbraw/zinc/60/72/51/505607251.db2.gz ZFJPUNWMVYMQJF-WKCHPHFGSA-N 2 1 351.494 3.418 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746311 505611856 /nfs/dbraw/zinc/61/18/56/505611856.db2.gz OCLJPIBLZNSBMI-GCJKJVERSA-N 2 1 365.521 3.041 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865177 505612311 /nfs/dbraw/zinc/61/23/11/505612311.db2.gz ZTHVYZMESKQJDF-HXUWFJFHSA-N 2 1 356.514 3.190 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000576965682 505635495 /nfs/dbraw/zinc/63/54/95/505635495.db2.gz SNRJFWRPEHLQNQ-YXYSEUPNSA-N 2 1 372.557 3.056 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4ncsc4c3)CC2)CC1 ZINC000573861459 505638405 /nfs/dbraw/zinc/63/84/05/505638405.db2.gz XRPAKNXLOCAOHG-UHFFFAOYSA-N 2 1 372.538 3.431 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000048220323 493804705 /nfs/dbraw/zinc/80/47/05/493804705.db2.gz OVMUAIFOAIDAOL-OALUTQOASA-N 2 1 372.557 3.345 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(N)=O)c2ccccc2)CC1 ZINC000057844067 493806872 /nfs/dbraw/zinc/80/68/72/493806872.db2.gz SRYVURVGZQMFQD-OAQYLSRUSA-N 2 1 351.494 3.057 20 0 FGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145385 493831738 /nfs/dbraw/zinc/83/17/38/493831738.db2.gz QMOUDIKEJNMEDZ-LPHOPBHVSA-N 2 1 361.530 3.216 20 0 FGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145385 493831742 /nfs/dbraw/zinc/83/17/42/493831742.db2.gz QMOUDIKEJNMEDZ-LPHOPBHVSA-N 2 1 361.530 3.216 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NC)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076155125 493832780 /nfs/dbraw/zinc/83/27/80/493832780.db2.gz CFJPVUYUEFRLDW-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076155125 493832784 /nfs/dbraw/zinc/83/27/84/493832784.db2.gz CFJPVUYUEFRLDW-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076155125 493832789 /nfs/dbraw/zinc/83/27/89/493832789.db2.gz CFJPVUYUEFRLDW-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516516 493907354 /nfs/dbraw/zinc/90/73/54/493907354.db2.gz RDTLDHPRBDOWNI-LJQANCHMSA-N 2 1 356.514 3.163 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516516 493907359 /nfs/dbraw/zinc/90/73/59/493907359.db2.gz RDTLDHPRBDOWNI-LJQANCHMSA-N 2 1 356.514 3.163 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516516 493907362 /nfs/dbraw/zinc/90/73/62/493907362.db2.gz RDTLDHPRBDOWNI-LJQANCHMSA-N 2 1 356.514 3.163 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000081516516 493907367 /nfs/dbraw/zinc/90/73/67/493907367.db2.gz RDTLDHPRBDOWNI-LJQANCHMSA-N 2 1 356.514 3.163 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578920 493921940 /nfs/dbraw/zinc/92/19/40/493921940.db2.gz CKWYFMFJMBPCIH-QUCCMNQESA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578920 493921941 /nfs/dbraw/zinc/92/19/41/493921941.db2.gz CKWYFMFJMBPCIH-QUCCMNQESA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578920 493921946 /nfs/dbraw/zinc/92/19/46/493921946.db2.gz CKWYFMFJMBPCIH-QUCCMNQESA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000081578920 493921949 /nfs/dbraw/zinc/92/19/49/493921949.db2.gz CKWYFMFJMBPCIH-QUCCMNQESA-N 2 1 356.510 3.243 20 0 FGADMP C[C@H](C1CC1)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076675131 493949190 /nfs/dbraw/zinc/94/91/90/493949190.db2.gz AMBLRPHCMYMGMO-QGZVFWFLSA-N 2 1 355.526 3.162 20 0 FGADMP Fc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000076682907 493949402 /nfs/dbraw/zinc/94/94/02/493949402.db2.gz QTQXTVIBXYXCSC-UHFFFAOYSA-N 2 1 359.445 3.025 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000574090613 505691100 /nfs/dbraw/zinc/69/11/00/505691100.db2.gz UIWCEIAJWDLEAL-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081930935 493967787 /nfs/dbraw/zinc/96/77/87/493967787.db2.gz ORMWTHYLHXKITC-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081930935 493967791 /nfs/dbraw/zinc/96/77/91/493967791.db2.gz ORMWTHYLHXKITC-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OCc1ccncc1 ZINC000069754414 494007770 /nfs/dbraw/zinc/00/77/70/494007770.db2.gz UEXPTNGSQFMEEK-UHFFFAOYSA-N 2 1 366.465 3.354 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000062357884 494009970 /nfs/dbraw/zinc/00/99/70/494009970.db2.gz KQVFRTJVIPGQFS-MOPGFXCFSA-N 2 1 359.901 3.362 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)c1 ZINC000062473380 494013590 /nfs/dbraw/zinc/01/35/90/494013590.db2.gz BKEJVFJYWPVQIU-OAQYLSRUSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)N(C(=O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000568449924 505696503 /nfs/dbraw/zinc/69/65/03/505696503.db2.gz AWLAZVSUFCQRAJ-NHCUHLMSSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000568449924 505696506 /nfs/dbraw/zinc/69/65/06/505696506.db2.gz AWLAZVSUFCQRAJ-NHCUHLMSSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000568449924 505696510 /nfs/dbraw/zinc/69/65/10/505696510.db2.gz AWLAZVSUFCQRAJ-NHCUHLMSSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000568449924 505696513 /nfs/dbraw/zinc/69/65/13/505696513.db2.gz AWLAZVSUFCQRAJ-NHCUHLMSSA-N 2 1 357.542 3.086 20 0 FGADMP COc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc1 ZINC000052713463 494056088 /nfs/dbraw/zinc/05/60/88/494056088.db2.gz XMIBCSXRWQVLSL-UHFFFAOYSA-N 2 1 359.514 3.222 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387468 494118434 /nfs/dbraw/zinc/11/84/34/494118434.db2.gz MQEZZGARMJJWIN-YSIASYRMSA-N 2 1 360.546 3.051 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000077574902 494118641 /nfs/dbraw/zinc/11/86/41/494118641.db2.gz SACSTQAPCCWYDC-OKCRPCIYSA-N 2 1 372.557 3.164 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000086339746 494149033 /nfs/dbraw/zinc/14/90/33/494149033.db2.gz YUHUOYDKTICSJJ-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086396266 494152381 /nfs/dbraw/zinc/15/23/81/494152381.db2.gz YJYZZECPRUQSKJ-OXJNMPFZSA-N 2 1 369.513 3.415 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086396266 494152384 /nfs/dbraw/zinc/15/23/84/494152384.db2.gz YJYZZECPRUQSKJ-OXJNMPFZSA-N 2 1 369.513 3.415 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000065932401 494257983 /nfs/dbraw/zinc/25/79/83/494257983.db2.gz XEBURMUBFCZNFC-UHFFFAOYSA-N 2 1 366.465 3.354 20 0 FGADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523018 494313355 /nfs/dbraw/zinc/31/33/55/494313355.db2.gz DPHBWSBREUBWOS-PMACEKPBSA-N 2 1 366.594 3.163 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000044277461 494346782 /nfs/dbraw/zinc/34/67/82/494346782.db2.gz FUJVQHMBWXMHJB-UHFFFAOYSA-N 2 1 354.498 3.392 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259588 505715127 /nfs/dbraw/zinc/71/51/27/505715127.db2.gz OUEPKVQQWNKHOU-NRFANRHFSA-N 2 1 369.557 3.233 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)CCc3ccccc3)CC2)CC1 ZINC000066568463 494357683 /nfs/dbraw/zinc/35/76/83/494357683.db2.gz VDBHRQKBXJFXNW-HXUWFJFHSA-N 2 1 371.569 3.274 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000044913869 494388553 /nfs/dbraw/zinc/38/85/53/494388553.db2.gz UTXBAFFJPUUUNF-OAQYLSRUSA-N 2 1 357.542 3.137 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000066704787 494389085 /nfs/dbraw/zinc/38/90/85/494389085.db2.gz XEIRGPYGZJKZFK-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000073897531 494444416 /nfs/dbraw/zinc/44/44/16/494444416.db2.gz UXZQGMSPXOLYNP-VQTJNVASSA-N 2 1 360.546 3.114 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895174 494444520 /nfs/dbraw/zinc/44/45/20/494444520.db2.gz BHHWOLNYRFUZNH-OAQYLSRUSA-N 2 1 356.510 3.384 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895174 494444522 /nfs/dbraw/zinc/44/45/22/494444522.db2.gz BHHWOLNYRFUZNH-OAQYLSRUSA-N 2 1 356.510 3.384 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079552575 494479416 /nfs/dbraw/zinc/47/94/16/494479416.db2.gz ABCUZSDPCPQOBT-LEWJYISDSA-N 2 1 370.541 3.463 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(Br)c1 ZINC000568564715 505723375 /nfs/dbraw/zinc/72/33/75/505723375.db2.gz JDYUZUZEAQICNL-UHFFFAOYSA-N 2 1 374.754 3.172 20 0 FGADMP C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168723 494491473 /nfs/dbraw/zinc/49/14/73/494491473.db2.gz PYHXKSNCKWWDDA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000074168723 494491476 /nfs/dbraw/zinc/49/14/76/494491476.db2.gz PYHXKSNCKWWDDA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000074168723 494491479 /nfs/dbraw/zinc/49/14/79/494491479.db2.gz PYHXKSNCKWWDDA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000079613077 494493169 /nfs/dbraw/zinc/49/31/69/494493169.db2.gz XOGMPCMBFQWLAH-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000079613077 494493172 /nfs/dbraw/zinc/49/31/72/494493172.db2.gz XOGMPCMBFQWLAH-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000079613077 494493173 /nfs/dbraw/zinc/49/31/73/494493173.db2.gz XOGMPCMBFQWLAH-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000074188305 494494427 /nfs/dbraw/zinc/49/44/27/494494427.db2.gz ARHZETKGWQXYMD-IBGZPJMESA-N 2 1 354.498 3.350 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000074188396 494494803 /nfs/dbraw/zinc/49/48/03/494494803.db2.gz VLHKSDWHLUDYFS-INIZCTEOSA-N 2 1 360.527 3.411 20 0 FGADMP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1nc2c(s1)CCCC2 ZINC000090937004 494504357 /nfs/dbraw/zinc/50/43/57/494504357.db2.gz JLQZVGGQYREHMS-CQSZACIVSA-N 2 1 360.527 3.208 20 0 FGADMP Cc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+]2CCCC2)o1 ZINC000074257499 494504739 /nfs/dbraw/zinc/50/47/39/494504739.db2.gz VIXYAYHNNFJCRU-KRWDZBQOSA-N 2 1 358.486 3.251 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319164 494516804 /nfs/dbraw/zinc/51/68/04/494516804.db2.gz QSNHFHDSSUWPAP-CTNGQTDRSA-N 2 1 357.542 3.260 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000091336555 494585864 /nfs/dbraw/zinc/58/58/64/494585864.db2.gz COVUWXMTGMWURE-KDOFPFPSSA-N 2 1 367.331 3.263 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000074868809 494630504 /nfs/dbraw/zinc/63/05/04/494630504.db2.gz LEARJLVFKGHMBZ-NRFANRHFSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074868809 494630510 /nfs/dbraw/zinc/63/05/10/494630510.db2.gz LEARJLVFKGHMBZ-NRFANRHFSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000074868809 494630515 /nfs/dbraw/zinc/63/05/15/494630515.db2.gz LEARJLVFKGHMBZ-NRFANRHFSA-N 2 1 372.557 3.012 20 0 FGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022650 494675816 /nfs/dbraw/zinc/67/58/16/494675816.db2.gz KLXIDJYUNXKABF-DYESRHJHSA-N 2 1 357.542 3.196 20 0 FGADMP CCn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000092587485 494677275 /nfs/dbraw/zinc/67/72/75/494677275.db2.gz LYICZHZGLVRPKV-QZTJIDSGSA-N 2 1 370.541 3.377 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338375 494679052 /nfs/dbraw/zinc/67/90/52/494679052.db2.gz RPEHNIVFRBLMPS-LAUBAEHRSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000080338375 494679058 /nfs/dbraw/zinc/67/90/58/494679058.db2.gz RPEHNIVFRBLMPS-LAUBAEHRSA-N 2 1 351.494 3.189 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000092664912 494704049 /nfs/dbraw/zinc/70/40/49/494704049.db2.gz WOXPVJVZMPNYMO-OALUTQOASA-N 2 1 367.541 3.067 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075503419 494778754 /nfs/dbraw/zinc/77/87/54/494778754.db2.gz GOGNSNOMUIDDJM-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC000116440426 494786022 /nfs/dbraw/zinc/78/60/22/494786022.db2.gz BDSVLOKLNDCRIP-FQEVSTJZSA-N 2 1 374.573 3.270 20 0 FGADMP CCCCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133165 494830687 /nfs/dbraw/zinc/83/06/87/494830687.db2.gz CMXVHRDQDYFZQA-OAQYLSRUSA-N 2 1 359.558 3.467 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000126765234 494833808 /nfs/dbraw/zinc/83/38/08/494833808.db2.gz ABQZPJMVPNUIPW-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639774 494907532 /nfs/dbraw/zinc/90/75/32/494907532.db2.gz CDBTVZXNQSTMGT-IEBWSBKVSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639774 494907534 /nfs/dbraw/zinc/90/75/34/494907534.db2.gz CDBTVZXNQSTMGT-IEBWSBKVSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639774 494907539 /nfs/dbraw/zinc/90/75/39/494907539.db2.gz CDBTVZXNQSTMGT-IEBWSBKVSA-N 2 1 362.514 3.017 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000093769428 494919305 /nfs/dbraw/zinc/91/93/05/494919305.db2.gz UZHHQKLDOSOACH-UHFFFAOYSA-N 2 1 374.573 3.252 20 0 FGADMP CCc1ncc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000093844175 494927575 /nfs/dbraw/zinc/92/75/75/494927575.db2.gz IEJNNTBGZGXSRS-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCC1 ZINC000133098723 494968946 /nfs/dbraw/zinc/96/89/46/494968946.db2.gz PZKSYNWGDGZFSP-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP C[C@@H](c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1)[NH+]1CCOCC1 ZINC000110721009 495003558 /nfs/dbraw/zinc/00/35/58/495003558.db2.gz GGUUHQIVIUWGSL-KRWDZBQOSA-N 2 1 367.493 3.394 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000111043041 495033365 /nfs/dbraw/zinc/03/33/65/495033365.db2.gz TVZMKQZAKJONFC-OAQYLSRUSA-N 2 1 353.510 3.318 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000098104670 495055202 /nfs/dbraw/zinc/05/52/02/495055202.db2.gz PPVNLKVROLYVMD-UHFFFAOYSA-N 2 1 374.573 3.433 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000133782741 495061851 /nfs/dbraw/zinc/06/18/51/495061851.db2.gz PXLGDIDHVALLKJ-FQEVSTJZSA-N 2 1 366.594 3.022 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(-n4cncn4)cc3)CC2)[nH+]1 ZINC000128238625 495065713 /nfs/dbraw/zinc/06/57/13/495065713.db2.gz USJIDNVBRPJXHR-QGZVFWFLSA-N 2 1 362.481 3.290 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000128269922 495070658 /nfs/dbraw/zinc/07/06/58/495070658.db2.gz SFJVDPKVGJDYMX-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128298996 495075216 /nfs/dbraw/zinc/07/52/16/495075216.db2.gz FQCXCFZMHUEZTM-IBGZPJMESA-N 2 1 374.573 3.144 20 0 FGADMP CCOc1ccc(Cl)cc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128334934 495080970 /nfs/dbraw/zinc/08/09/70/495080970.db2.gz WEYAUDFVWOJNNT-INIZCTEOSA-N 2 1 353.938 3.417 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OCC(F)(F)F ZINC000101590314 495082761 /nfs/dbraw/zinc/08/27/61/495082761.db2.gz IEQGEWCLLREWRO-UHFFFAOYSA-N 2 1 358.404 3.353 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950299 495085523 /nfs/dbraw/zinc/08/55/23/495085523.db2.gz OEWTUHHFLMBSCG-FQEVSTJZSA-N 3 1 372.601 3.427 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950299 495085526 /nfs/dbraw/zinc/08/55/26/495085526.db2.gz OEWTUHHFLMBSCG-FQEVSTJZSA-N 2 1 372.601 3.427 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950299 495085531 /nfs/dbraw/zinc/08/55/31/495085531.db2.gz OEWTUHHFLMBSCG-FQEVSTJZSA-N 2 1 372.601 3.427 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000123138569 495086145 /nfs/dbraw/zinc/08/61/45/495086145.db2.gz FDVZBXZUBOJEQA-UHFFFAOYSA-N 2 1 372.469 3.019 20 0 FGADMP COc1ccc(-c2noc(C[NH+]3CCC(CCC[NH+](C)C)CC3)n2)cc1 ZINC000123259847 495105392 /nfs/dbraw/zinc/10/53/92/495105392.db2.gz JGCPVGOBEOYZJW-UHFFFAOYSA-N 2 1 358.486 3.299 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123327451 495115027 /nfs/dbraw/zinc/11/50/27/495115027.db2.gz RDYBNAUZJWDOAB-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123327451 495115028 /nfs/dbraw/zinc/11/50/28/495115028.db2.gz RDYBNAUZJWDOAB-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123327451 495115031 /nfs/dbraw/zinc/11/50/31/495115031.db2.gz RDYBNAUZJWDOAB-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123327451 495115032 /nfs/dbraw/zinc/11/50/32/495115032.db2.gz RDYBNAUZJWDOAB-HIFRSBDPSA-N 2 1 353.894 3.092 20 0 FGADMP c1ccc2c(c1)C=C(C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CO2 ZINC000102420112 495135758 /nfs/dbraw/zinc/13/57/58/495135758.db2.gz MPXXLMXQCHUFTA-UHFFFAOYSA-N 2 1 350.462 3.084 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000128697020 495137065 /nfs/dbraw/zinc/13/70/65/495137065.db2.gz BKBYWWBPYUHEEX-GOSISDBHSA-N 2 1 371.447 3.190 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000128702246 495138426 /nfs/dbraw/zinc/13/84/26/495138426.db2.gz QAQZIIZYKZSVJW-IBGZPJMESA-N 2 1 352.526 3.427 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000123575329 495153825 /nfs/dbraw/zinc/15/38/25/495153825.db2.gz MKSRHKAKXKVKRO-INIZCTEOSA-N 2 1 359.514 3.270 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000119386260 495156384 /nfs/dbraw/zinc/15/63/84/495156384.db2.gz PKVVDRNBFYQCEN-AZUAARDMSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123600127 495158739 /nfs/dbraw/zinc/15/87/39/495158739.db2.gz CZQCLSDQSFMAQF-GVDBMIGSSA-N 2 1 372.488 3.080 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000123600127 495158743 /nfs/dbraw/zinc/15/87/43/495158743.db2.gz CZQCLSDQSFMAQF-GVDBMIGSSA-N 2 1 372.488 3.080 20 0 FGADMP [NH3+][C@@H](CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000119440408 495167879 /nfs/dbraw/zinc/16/78/79/495167879.db2.gz CFFSVSXPRQXDOX-FQEVSTJZSA-N 2 1 371.912 3.464 20 0 FGADMP [NH3+][C@@H](CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000119440408 495167884 /nfs/dbraw/zinc/16/78/84/495167884.db2.gz CFFSVSXPRQXDOX-FQEVSTJZSA-N 2 1 371.912 3.464 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119589258 495196736 /nfs/dbraw/zinc/19/67/36/495196736.db2.gz LMNWPUAMYMLKAY-UZKOGDIHSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119589258 495196739 /nfs/dbraw/zinc/19/67/39/495196739.db2.gz LMNWPUAMYMLKAY-UZKOGDIHSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119589258 495196741 /nfs/dbraw/zinc/19/67/41/495196741.db2.gz LMNWPUAMYMLKAY-UZKOGDIHSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3F)cn2)CC1 ZINC000112529194 495201598 /nfs/dbraw/zinc/20/15/98/495201598.db2.gz IDRHHEFVXVRYLV-OAHLLOKOSA-N 2 1 360.452 3.353 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159307 495204885 /nfs/dbraw/zinc/20/48/85/495204885.db2.gz CUYIHLDVASZGRX-YOEHRIQHSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159307 495204889 /nfs/dbraw/zinc/20/48/89/495204889.db2.gz CUYIHLDVASZGRX-YOEHRIQHSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc(Br)c3)CC[C@@H]21 ZINC000129159307 495204897 /nfs/dbraw/zinc/20/48/97/495204897.db2.gz CUYIHLDVASZGRX-YOEHRIQHSA-N 2 1 353.304 3.244 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119639764 495208474 /nfs/dbraw/zinc/20/84/74/495208474.db2.gz MVPAGJOCFLUDNU-QFIPXVFZSA-N 2 1 365.521 3.447 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000123943668 495209984 /nfs/dbraw/zinc/20/99/84/495209984.db2.gz RDPJABKEFHDWLG-AWEZNQCLSA-N 2 1 365.319 3.276 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000124005715 495220003 /nfs/dbraw/zinc/22/00/03/495220003.db2.gz KWBGWVHRHOVMOE-INIZCTEOSA-N 2 1 360.523 3.393 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000119707236 495223418 /nfs/dbraw/zinc/22/34/18/495223418.db2.gz RUOUXPACRZXNMV-IBGZPJMESA-N 2 1 361.917 3.220 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000119707236 495223420 /nfs/dbraw/zinc/22/34/20/495223420.db2.gz RUOUXPACRZXNMV-IBGZPJMESA-N 2 1 361.917 3.220 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119716898 495225721 /nfs/dbraw/zinc/22/57/21/495225721.db2.gz KTJOLNVRJOUMEQ-KMFTYDHNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119716898 495225724 /nfs/dbraw/zinc/22/57/24/495225724.db2.gz KTJOLNVRJOUMEQ-KMFTYDHNSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000129302644 495226012 /nfs/dbraw/zinc/22/60/12/495226012.db2.gz ZOEHOHPKYYGFQL-QUCCMNQESA-N 2 1 364.578 3.154 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000112918880 495257336 /nfs/dbraw/zinc/25/73/36/495257336.db2.gz FIXJFVBFCAJTGM-QFIPXVFZSA-N 2 1 369.553 3.233 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000129681136 495280506 /nfs/dbraw/zinc/28/05/06/495280506.db2.gz CUVPWBAZWSCVAE-UHFFFAOYSA-N 2 1 366.440 3.311 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(OC(F)F)c1 ZINC000124408548 495282979 /nfs/dbraw/zinc/28/29/79/495282979.db2.gz OVWVLFLYYUMVCE-HNNXBMFYSA-N 2 1 355.473 3.212 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855741 495305505 /nfs/dbraw/zinc/30/55/05/495305505.db2.gz YONVODPQMDIMJT-QGZVFWFLSA-N 2 1 352.910 3.220 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000129933274 495315838 /nfs/dbraw/zinc/31/58/38/495315838.db2.gz AHHLZGGZIHDFJW-HXUWFJFHSA-N 2 1 354.498 3.000 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000129933274 495315842 /nfs/dbraw/zinc/31/58/42/495315842.db2.gz AHHLZGGZIHDFJW-HXUWFJFHSA-N 2 1 354.498 3.000 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000113611523 495321079 /nfs/dbraw/zinc/32/10/79/495321079.db2.gz ZMIDAUGOIULJGI-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000105094422 495336081 /nfs/dbraw/zinc/33/60/81/495336081.db2.gz ZJFIHNILKHIGBQ-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000105118879 495338897 /nfs/dbraw/zinc/33/88/97/495338897.db2.gz NUEVRUNJRUADJC-OAQYLSRUSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105134911 495339747 /nfs/dbraw/zinc/33/97/47/495339747.db2.gz NSGDMPJWBDHUGM-WOJBJXKFSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000105134914 495340249 /nfs/dbraw/zinc/34/02/49/495340249.db2.gz NSGDMPJWBDHUGM-VQTJNVASSA-N 2 1 364.578 3.158 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136070584 495353786 /nfs/dbraw/zinc/35/37/86/495353786.db2.gz GKSOPWKKSMJXDT-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000136070584 495353790 /nfs/dbraw/zinc/35/37/90/495353790.db2.gz GKSOPWKKSMJXDT-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000124889046 495359608 /nfs/dbraw/zinc/35/96/08/495359608.db2.gz WUPFBDZZCYYROH-HXUWFJFHSA-N 2 1 354.498 3.256 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000124889046 495359614 /nfs/dbraw/zinc/35/96/14/495359614.db2.gz WUPFBDZZCYYROH-HXUWFJFHSA-N 2 1 354.498 3.256 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000105442990 495364744 /nfs/dbraw/zinc/36/47/44/495364744.db2.gz SMPULLDYSGDLIJ-GOSISDBHSA-N 3 1 356.514 3.092 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000105480478 495365702 /nfs/dbraw/zinc/36/57/02/495365702.db2.gz AKQAHMJMLNGMGM-BBRMVZONSA-N 2 1 352.404 3.321 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000136312356 495371234 /nfs/dbraw/zinc/37/12/34/495371234.db2.gz GWQNFNDCEAWEJQ-HXUWFJFHSA-N 2 1 354.498 3.049 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCc2ccccc21 ZINC000136312356 495371235 /nfs/dbraw/zinc/37/12/35/495371235.db2.gz GWQNFNDCEAWEJQ-HXUWFJFHSA-N 2 1 354.498 3.049 20 0 FGADMP Cc1nc(CC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000125083585 495388556 /nfs/dbraw/zinc/38/85/56/495388556.db2.gz KQMZSCRSQPOZRN-IYBDPMFKSA-N 2 1 351.560 3.205 20 0 FGADMP Cc1ccccc1[C@H](C(C)C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000125117744 495393264 /nfs/dbraw/zinc/39/32/64/495393264.db2.gz UMQIQWVHPKVFIZ-NRFANRHFSA-N 2 1 367.541 3.366 20 0 FGADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000125117744 495393268 /nfs/dbraw/zinc/39/32/68/495393268.db2.gz UMQIQWVHPKVFIZ-NRFANRHFSA-N 2 1 367.541 3.366 20 0 FGADMP CC[C@H](C)[N@H+](CCCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218726 495408279 /nfs/dbraw/zinc/40/82/79/495408279.db2.gz CCCNZXZGKAEZML-HNNXBMFYSA-N 2 1 353.470 3.119 20 0 FGADMP CC[C@H](C)[N@@H+](CCCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218726 495408282 /nfs/dbraw/zinc/40/82/82/495408282.db2.gz CCCNZXZGKAEZML-HNNXBMFYSA-N 2 1 353.470 3.119 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccccc3C)CC2)CC1 ZINC000130737855 495437520 /nfs/dbraw/zinc/43/75/20/495437520.db2.gz DMAFSQRGPNGEPX-LJQANCHMSA-N 2 1 357.542 3.322 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000130767235 495442296 /nfs/dbraw/zinc/44/22/96/495442296.db2.gz TYEGTJCSGHPTHR-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000137684976 495448305 /nfs/dbraw/zinc/44/83/05/495448305.db2.gz IPWZTCSRDVDHCX-GOSISDBHSA-N 2 1 359.514 3.222 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182424235 495559021 /nfs/dbraw/zinc/55/90/21/495559021.db2.gz SUCFAERRMJAARH-SJORKVTESA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182424235 495559027 /nfs/dbraw/zinc/55/90/27/495559027.db2.gz SUCFAERRMJAARH-SJORKVTESA-N 2 1 354.922 3.052 20 0 FGADMP CC[C@@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000185453490 495582821 /nfs/dbraw/zinc/58/28/21/495582821.db2.gz UCJQSNKDJNESST-OAQYLSRUSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351521 495589346 /nfs/dbraw/zinc/58/93/46/495589346.db2.gz YHNJOSVIDFRACM-QFUCXCTJSA-N 2 1 372.557 3.466 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351521 495589351 /nfs/dbraw/zinc/58/93/51/495589351.db2.gz YHNJOSVIDFRACM-QFUCXCTJSA-N 2 1 372.557 3.466 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000159099528 495657309 /nfs/dbraw/zinc/65/73/09/495657309.db2.gz FRBKEFCOSBCNRQ-INIZCTEOSA-N 2 1 374.504 3.471 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182683749 495663042 /nfs/dbraw/zinc/66/30/42/495663042.db2.gz PZGZFRWAUUOHOG-MOPGFXCFSA-N 2 1 366.594 3.448 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661684 495667707 /nfs/dbraw/zinc/66/77/07/495667707.db2.gz NXXCSDDDURRDLK-DLBZAZTESA-N 2 1 373.566 3.368 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661684 495667708 /nfs/dbraw/zinc/66/77/08/495667708.db2.gz NXXCSDDDURRDLK-DLBZAZTESA-N 2 1 373.566 3.368 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185669848 495670789 /nfs/dbraw/zinc/67/07/89/495670789.db2.gz IUEHZYLLXOVBEZ-JTDSTZFVSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185669848 495670791 /nfs/dbraw/zinc/67/07/91/495670791.db2.gz IUEHZYLLXOVBEZ-JTDSTZFVSA-N 2 1 371.525 3.459 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000173747000 495674894 /nfs/dbraw/zinc/67/48/94/495674894.db2.gz ACWXGTISJHWHDG-WIYYLYMNSA-N 2 1 372.557 3.084 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706523 495690871 /nfs/dbraw/zinc/69/08/71/495690871.db2.gz LDDNRUFSYNUHMY-SOLBZPMBSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706523 495690874 /nfs/dbraw/zinc/69/08/74/495690874.db2.gz LDDNRUFSYNUHMY-SOLBZPMBSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713555 495693371 /nfs/dbraw/zinc/69/33/71/495693371.db2.gz VRTWYYKGPIMGLD-CABCVRRESA-N 2 1 374.916 3.091 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713555 495693376 /nfs/dbraw/zinc/69/33/76/495693376.db2.gz VRTWYYKGPIMGLD-CABCVRRESA-N 2 1 374.916 3.091 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000176619248 495722516 /nfs/dbraw/zinc/72/25/16/495722516.db2.gz MEDABZVTKBMIJE-GOSISDBHSA-N 2 1 363.550 3.172 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000176619248 495722518 /nfs/dbraw/zinc/72/25/18/495722518.db2.gz MEDABZVTKBMIJE-GOSISDBHSA-N 2 1 363.550 3.172 20 0 FGADMP O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868870 495725907 /nfs/dbraw/zinc/72/59/07/495725907.db2.gz HUVDAXVRWOGVRP-KNQAVFIVSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868870 495725909 /nfs/dbraw/zinc/72/59/09/495725909.db2.gz HUVDAXVRWOGVRP-KNQAVFIVSA-N 2 1 368.521 3.387 20 0 FGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568897735 505802633 /nfs/dbraw/zinc/80/26/33/505802633.db2.gz ALGXCJGSJQMJEG-AVRDEDQJSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568897735 505802639 /nfs/dbraw/zinc/80/26/39/505802639.db2.gz ALGXCJGSJQMJEG-AVRDEDQJSA-N 2 1 366.509 3.103 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000173993841 495780116 /nfs/dbraw/zinc/78/01/16/495780116.db2.gz OAQJLZMSNLHMKN-SEJPIABJSA-N 2 1 372.557 3.295 20 0 FGADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000580639853 505803961 /nfs/dbraw/zinc/80/39/61/505803961.db2.gz QQCUFBMUCXMWDN-INIZCTEOSA-N 2 1 352.544 3.442 20 0 FGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)cc1 ZINC000151379336 495821237 /nfs/dbraw/zinc/82/12/37/495821237.db2.gz MQMMBKNTFNPVAD-QGZVFWFLSA-N 2 1 355.320 3.337 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@]2(C)Cc2ccccc2)CC1 ZINC000186036958 495830890 /nfs/dbraw/zinc/83/08/90/495830890.db2.gz QLFSTTFGSHEAQV-QFIPXVFZSA-N 2 1 357.542 3.073 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccnc2OCC)CC1 ZINC000151489713 495855716 /nfs/dbraw/zinc/85/57/16/495855716.db2.gz DATAGIBYYUAFIF-UHFFFAOYSA-N 2 1 368.525 3.302 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180110238 495861846 /nfs/dbraw/zinc/86/18/46/495861846.db2.gz DSROGKUMTHBUQS-JOCHJYFZSA-N 2 1 352.526 3.178 20 0 FGADMP CC[C@@H](C(=O)NCc1ccc(N2CCCC2)nc1)N(C)Cc1ccccc1 ZINC000571779994 505813497 /nfs/dbraw/zinc/81/34/97/505813497.db2.gz FIOXLFXQVZEQPA-FQEVSTJZSA-N 2 1 366.509 3.209 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000177051291 495901822 /nfs/dbraw/zinc/90/18/22/495901822.db2.gz CGPFEWXSQWOYOO-IFMALSPDSA-N 2 1 360.542 3.248 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061101 495907682 /nfs/dbraw/zinc/90/76/82/495907682.db2.gz OCNBSNUCPRQKIR-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000177061101 495907666 /nfs/dbraw/zinc/90/76/66/495907666.db2.gz OCNBSNUCPRQKIR-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061101 495907676 /nfs/dbraw/zinc/90/76/76/495907676.db2.gz OCNBSNUCPRQKIR-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000177061101 495907663 /nfs/dbraw/zinc/90/76/63/495907663.db2.gz OCNBSNUCPRQKIR-CJNGLKHVSA-N 2 1 368.319 3.192 20 0 FGADMP CC[C@H](C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)[NH+]1CCCC1 ZINC000151655555 495908141 /nfs/dbraw/zinc/90/81/41/495908141.db2.gz VWFLQCANOGFUEB-QGZVFWFLSA-N 2 1 363.933 3.409 20 0 FGADMP CCN(CC)C(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000580677071 505811471 /nfs/dbraw/zinc/81/14/71/505811471.db2.gz OAQSQQPHOQRUCH-DLBZAZTESA-N 2 1 351.560 3.067 20 0 FGADMP COc1ccccc1-c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000174354729 495925068 /nfs/dbraw/zinc/92/50/68/495925068.db2.gz RJAYIWIHPRIZKJ-UHFFFAOYSA-N 2 1 367.537 3.479 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453640 495965558 /nfs/dbraw/zinc/96/55/58/495965558.db2.gz ZHWAWQLSNMQIHH-HLAWJBBLSA-N 2 1 372.557 3.256 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC3 ZINC000180516198 496028347 /nfs/dbraw/zinc/02/83/47/496028347.db2.gz WXPVVILVVYSQPA-QZTJIDSGSA-N 2 1 355.526 3.160 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000177483928 496080787 /nfs/dbraw/zinc/08/07/87/496080787.db2.gz HRYJOWNMEYGSPK-OALUTQOASA-N 2 1 373.541 3.145 20 0 FGADMP O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000177513848 496093347 /nfs/dbraw/zinc/09/33/47/496093347.db2.gz LSYYOHQDOJVLSI-OYRHEFFESA-N 2 1 355.526 3.021 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000155907698 496103882 /nfs/dbraw/zinc/10/38/82/496103882.db2.gz KYFDSPCCFQIITQ-MRXNPFEDSA-N 2 1 362.481 3.290 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684290 496158761 /nfs/dbraw/zinc/15/87/61/496158761.db2.gz SIVQNMMYAXQKNB-FXAWDEMLSA-N 2 1 361.505 3.199 20 0 FGADMP CC(C)N1CCC[C@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702930 496164893 /nfs/dbraw/zinc/16/48/93/496164893.db2.gz PBAUMZNWDLYMRI-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+](Cc1ccccc1C[N@@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000156146710 496170567 /nfs/dbraw/zinc/17/05/67/496170567.db2.gz RCEXETHAPZLSBT-UHFFFAOYSA-N 2 1 360.542 3.403 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187016900 496253234 /nfs/dbraw/zinc/25/32/34/496253234.db2.gz NDMYTCSKEMDINM-SFHVURJKSA-N 2 1 361.599 3.445 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000181068159 496258536 /nfs/dbraw/zinc/25/85/36/496258536.db2.gz YDEGCAMRUDJXJM-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000181068159 496258538 /nfs/dbraw/zinc/25/85/38/496258538.db2.gz YDEGCAMRUDJXJM-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000181068159 496258541 /nfs/dbraw/zinc/25/85/41/496258541.db2.gz YDEGCAMRUDJXJM-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C1CC[NH+](C)CC1 ZINC000181093009 496267748 /nfs/dbraw/zinc/26/77/48/496267748.db2.gz HJUBYRLHBXQXTD-UGKGYDQZSA-N 2 1 359.558 3.200 20 0 FGADMP CN1c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2CCC1=O ZINC000187089302 496287787 /nfs/dbraw/zinc/28/77/87/496287787.db2.gz RYVJDJGHMXXQSA-UHFFFAOYSA-N 2 1 363.505 3.350 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)nc(C)[nH+]1 ZINC000162281850 496328765 /nfs/dbraw/zinc/32/87/65/496328765.db2.gz RIGQBLYBOVVPJO-WZQKQDCOSA-N 2 1 372.538 3.150 20 0 FGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881655 505837429 /nfs/dbraw/zinc/83/74/29/505837429.db2.gz WUEHYMYUZKFPOC-ICSRJNTNSA-N 2 1 358.526 3.357 20 0 FGADMP COC1([C@H](C)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881655 505837431 /nfs/dbraw/zinc/83/74/31/505837431.db2.gz WUEHYMYUZKFPOC-ICSRJNTNSA-N 2 1 358.526 3.357 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)[NH+](C)C)cc1 ZINC000172568874 496343699 /nfs/dbraw/zinc/34/36/99/496343699.db2.gz CZHRTGHEINWTDS-NRFANRHFSA-N 2 1 372.557 3.258 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(C)(C)C ZINC000172593735 496356389 /nfs/dbraw/zinc/35/63/89/496356389.db2.gz XYWZNZSZEWGBBD-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccs1 ZINC000156901190 496359580 /nfs/dbraw/zinc/35/95/80/496359580.db2.gz JCYNVROJVUMJKU-YJBOKZPZSA-N 2 1 357.523 3.296 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)C1 ZINC000156902788 496360926 /nfs/dbraw/zinc/36/09/26/496360926.db2.gz QWMXMSIPZKUMOS-RBBKRZOGSA-N 2 1 363.505 3.161 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](C)c3ccccc3)CC2)cc1 ZINC000181376021 496372011 /nfs/dbraw/zinc/37/20/11/496372011.db2.gz NNXPVRLVCQSFCW-HXUWFJFHSA-N 2 1 365.521 3.380 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000175399350 496374009 /nfs/dbraw/zinc/37/40/09/496374009.db2.gz FQKKHUKAMLPSTQ-UHFFFAOYSA-N 2 1 371.529 3.311 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000175399350 496374010 /nfs/dbraw/zinc/37/40/10/496374010.db2.gz FQKKHUKAMLPSTQ-UHFFFAOYSA-N 2 1 371.529 3.311 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000175400310 496374675 /nfs/dbraw/zinc/37/46/75/496374675.db2.gz AKJZZQXPEXTKOU-SEJPIABJSA-N 2 1 372.557 3.341 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000175400310 496374681 /nfs/dbraw/zinc/37/46/81/496374681.db2.gz AKJZZQXPEXTKOU-SEJPIABJSA-N 2 1 372.557 3.341 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000175400310 496374685 /nfs/dbraw/zinc/37/46/85/496374685.db2.gz AKJZZQXPEXTKOU-SEJPIABJSA-N 2 1 372.557 3.341 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000162779057 496411573 /nfs/dbraw/zinc/41/15/73/496411573.db2.gz GCCBHWLFPFTKEB-FQEVSTJZSA-N 2 1 357.542 3.137 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000162793116 496413804 /nfs/dbraw/zinc/41/38/04/496413804.db2.gz RXZDXCRYJJKZMC-KEYYUXOJSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000162793116 496413808 /nfs/dbraw/zinc/41/38/08/496413808.db2.gz RXZDXCRYJJKZMC-KEYYUXOJSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000162793116 496413813 /nfs/dbraw/zinc/41/38/13/496413813.db2.gz RXZDXCRYJJKZMC-KEYYUXOJSA-N 2 1 373.324 3.149 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)c2ccc(F)cc2C1 ZINC000184516656 496419790 /nfs/dbraw/zinc/41/97/90/496419790.db2.gz IFTPBMZVXLOVNQ-HXUWFJFHSA-N 2 1 361.505 3.472 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223982 496432389 /nfs/dbraw/zinc/43/23/89/496432389.db2.gz JWRQXLKRUBQDHF-CTNGQTDRSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223982 496432395 /nfs/dbraw/zinc/43/23/95/496432395.db2.gz JWRQXLKRUBQDHF-CTNGQTDRSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1)C1CC1 ZINC000157223982 496432399 /nfs/dbraw/zinc/43/23/99/496432399.db2.gz JWRQXLKRUBQDHF-CTNGQTDRSA-N 2 1 355.526 3.227 20 0 FGADMP Cc1cccc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)n1 ZINC000157392337 496469431 /nfs/dbraw/zinc/46/94/31/496469431.db2.gz OYOSMLNYFWZCGJ-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP Cc1cccc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)[nH+]1 ZINC000157392337 496469436 /nfs/dbraw/zinc/46/94/36/496469436.db2.gz OYOSMLNYFWZCGJ-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP Cc1cccc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[nH+]1 ZINC000157392337 496469442 /nfs/dbraw/zinc/46/94/42/496469442.db2.gz OYOSMLNYFWZCGJ-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP COc1ccc([C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000157456834 496481105 /nfs/dbraw/zinc/48/11/05/496481105.db2.gz ZOGSASRCHWOOPF-UTKZUKDTSA-N 2 1 369.509 3.107 20 0 FGADMP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000157456834 496481110 /nfs/dbraw/zinc/48/11/10/496481110.db2.gz ZOGSASRCHWOOPF-UTKZUKDTSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC(CC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175647253 496482932 /nfs/dbraw/zinc/48/29/32/496482932.db2.gz IKRCVFVPLXRAOP-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000157499939 496490519 /nfs/dbraw/zinc/49/05/19/496490519.db2.gz RJHHBWWSSZEGQF-KRWDZBQOSA-N 2 1 371.529 3.169 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000163507131 496525985 /nfs/dbraw/zinc/52/59/85/496525985.db2.gz QUDRFFYMBHCKJE-UGKGYDQZSA-N 2 1 364.537 3.469 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)NCc2ccccc2)CC1 ZINC000163545310 496530946 /nfs/dbraw/zinc/53/09/46/496530946.db2.gz SWBKLVOUJNXYIR-UHFFFAOYSA-N 2 1 354.498 3.000 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)c1 ZINC000163646006 496542077 /nfs/dbraw/zinc/54/20/77/496542077.db2.gz KVHCTTJCJCDNRZ-IBGZPJMESA-N 2 1 364.530 3.079 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C1 ZINC000178698199 496544249 /nfs/dbraw/zinc/54/42/49/496544249.db2.gz WGRUKFWSHOLXPJ-HUUCEWRRSA-N 2 1 372.538 3.010 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000153732065 496561849 /nfs/dbraw/zinc/56/18/49/496561849.db2.gz YSJBQEGRCYMFHR-OAQYLSRUSA-N 2 1 359.533 3.439 20 0 FGADMP CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000178787938 496570284 /nfs/dbraw/zinc/57/02/84/496570284.db2.gz SRHAXTFJVFNIPU-UHFFFAOYSA-N 2 1 358.313 3.201 20 0 FGADMP OC1CC[NH+](CCCNCc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000164105196 496586286 /nfs/dbraw/zinc/58/62/86/496586286.db2.gz HBWWYYYEFHULIH-UHFFFAOYSA-N 2 1 372.484 3.341 20 0 FGADMP OC1CC[NH+](CCC[NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000164105196 496586292 /nfs/dbraw/zinc/58/62/92/496586292.db2.gz HBWWYYYEFHULIH-UHFFFAOYSA-N 2 1 372.484 3.341 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000173192823 496587754 /nfs/dbraw/zinc/58/77/54/496587754.db2.gz XZESSQDQLGWLDM-FQEVSTJZSA-N 2 1 354.498 3.143 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000173192823 496587760 /nfs/dbraw/zinc/58/77/60/496587760.db2.gz XZESSQDQLGWLDM-FQEVSTJZSA-N 2 1 354.498 3.143 20 0 FGADMP Cc1nc(C(C)(C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)sc1C ZINC000184987783 496613103 /nfs/dbraw/zinc/61/31/03/496613103.db2.gz SEJTTYUXGWCYSN-QGZVFWFLSA-N 2 1 374.554 3.004 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1OC(F)F ZINC000571959906 505855317 /nfs/dbraw/zinc/85/53/17/505855317.db2.gz HUPWSZMXRNRGDW-KRWDZBQOSA-N 2 1 355.473 3.136 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158089747 496625412 /nfs/dbraw/zinc/62/54/12/496625412.db2.gz OCXIYGRTKZUUJX-WBVHZDCISA-N 2 1 351.922 3.008 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000574787589 505855812 /nfs/dbraw/zinc/85/58/12/505855812.db2.gz YTRBMXGIOOWLQI-DLBZAZTESA-N 2 1 364.921 3.046 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000574787589 505855816 /nfs/dbraw/zinc/85/58/16/505855816.db2.gz YTRBMXGIOOWLQI-DLBZAZTESA-N 2 1 364.921 3.046 20 0 FGADMP C[C@@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185060842 496641750 /nfs/dbraw/zinc/64/17/50/496641750.db2.gz JBFLBCNSIIQXQP-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000154033300 496661994 /nfs/dbraw/zinc/66/19/94/496661994.db2.gz NLZKCMSPZZXPPU-HDICACEKSA-N 2 1 365.949 3.209 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000154033300 496661999 /nfs/dbraw/zinc/66/19/99/496661999.db2.gz NLZKCMSPZZXPPU-HDICACEKSA-N 2 1 365.949 3.209 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000179090813 496671117 /nfs/dbraw/zinc/67/11/17/496671117.db2.gz QGWKHRDSVPNGHR-MCEIDBOGSA-N 2 1 360.542 3.157 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000173422377 496686100 /nfs/dbraw/zinc/68/61/00/496686100.db2.gz DHZJORUGURJMMD-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166558887 496689028 /nfs/dbraw/zinc/68/90/28/496689028.db2.gz GPZIRHNZOPXUMP-QFBILLFUSA-N 2 1 364.497 3.234 20 0 FGADMP C[C@H](CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167308339 496699729 /nfs/dbraw/zinc/69/97/29/496699729.db2.gz MORPGMHUCYPVBE-DENIHFKCSA-N 2 1 371.569 3.383 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182273660 496724833 /nfs/dbraw/zinc/72/48/33/496724833.db2.gz OWLNFDXVJPWQED-KSSFIOAISA-N 2 1 359.539 3.431 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000571986544 505862326 /nfs/dbraw/zinc/86/23/26/505862326.db2.gz WNQJDNQGJUKIEZ-SIKLNZKXSA-N 2 1 373.541 3.275 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000182316706 496729395 /nfs/dbraw/zinc/72/93/95/496729395.db2.gz TUKDVXHGPUKKTC-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893246 505862843 /nfs/dbraw/zinc/86/28/43/505862843.db2.gz ZFYODAJTLKPZQE-CTNGQTDRSA-N 2 1 359.583 3.211 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000246973990 496740410 /nfs/dbraw/zinc/74/04/10/496740410.db2.gz JGZRJZKZGWXTPN-NFAWXSAZSA-N 2 1 361.313 3.053 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246989170 496744307 /nfs/dbraw/zinc/74/43/07/496744307.db2.gz NZAJTBWUPWDCLF-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000246989170 496744311 /nfs/dbraw/zinc/74/43/11/496744311.db2.gz NZAJTBWUPWDCLF-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000246989170 496744314 /nfs/dbraw/zinc/74/43/14/496744314.db2.gz NZAJTBWUPWDCLF-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000246989170 496744319 /nfs/dbraw/zinc/74/43/19/496744319.db2.gz NZAJTBWUPWDCLF-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247003850 496748135 /nfs/dbraw/zinc/74/81/35/496748135.db2.gz GXNMOTKQJANWMV-HSALFYBXSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247003850 496748141 /nfs/dbraw/zinc/74/81/41/496748141.db2.gz GXNMOTKQJANWMV-HSALFYBXSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000247003850 496748145 /nfs/dbraw/zinc/74/81/45/496748145.db2.gz GXNMOTKQJANWMV-HSALFYBXSA-N 2 1 366.594 3.022 20 0 FGADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900049 505864208 /nfs/dbraw/zinc/86/42/08/505864208.db2.gz FIRMZYATXKYUFP-LJQANCHMSA-N 2 1 364.530 3.151 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900049 505864209 /nfs/dbraw/zinc/86/42/09/505864209.db2.gz FIRMZYATXKYUFP-LJQANCHMSA-N 2 1 364.530 3.151 20 0 FGADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900049 505864212 /nfs/dbraw/zinc/86/42/12/505864212.db2.gz FIRMZYATXKYUFP-LJQANCHMSA-N 2 1 364.530 3.151 20 0 FGADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900049 505864214 /nfs/dbraw/zinc/86/42/14/505864214.db2.gz FIRMZYATXKYUFP-LJQANCHMSA-N 2 1 364.530 3.151 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194946167 496770132 /nfs/dbraw/zinc/77/01/32/496770132.db2.gz OTBRDKPCHZNMFS-LJQANCHMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268748556 496772632 /nfs/dbraw/zinc/77/26/32/496772632.db2.gz ILPUQGJQPALROW-UYAOXDASSA-N 2 1 367.541 3.190 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268748556 496772635 /nfs/dbraw/zinc/77/26/35/496772635.db2.gz ILPUQGJQPALROW-UYAOXDASSA-N 2 1 367.541 3.190 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000268768803 496780354 /nfs/dbraw/zinc/78/03/54/496780354.db2.gz OVSFRNWKZGHNDF-UHFFFAOYSA-N 2 1 351.922 3.265 20 0 FGADMP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000247123403 496786051 /nfs/dbraw/zinc/78/60/51/496786051.db2.gz RFXWXPOANSVHHF-AUSIDOKSSA-N 2 1 368.521 3.255 20 0 FGADMP COC[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000247123403 496786054 /nfs/dbraw/zinc/78/60/54/496786054.db2.gz RFXWXPOANSVHHF-AUSIDOKSSA-N 2 1 368.521 3.255 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000191512110 496792137 /nfs/dbraw/zinc/79/21/37/496792137.db2.gz VWGYPSQLFDQFHS-SFHVURJKSA-N 2 1 356.514 3.171 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1C ZINC000191512110 496792141 /nfs/dbraw/zinc/79/21/41/496792141.db2.gz VWGYPSQLFDQFHS-SFHVURJKSA-N 2 1 356.514 3.171 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000247174919 496798273 /nfs/dbraw/zinc/79/82/73/496798273.db2.gz UVIRMCFNZBFFBO-YWZLYKJASA-N 2 1 351.485 3.249 20 0 FGADMP C[C@@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851250 496803444 /nfs/dbraw/zinc/80/34/44/496803444.db2.gz CDZHPILJGJYVJP-UYAOXDASSA-N 2 1 353.510 3.162 20 0 FGADMP C[C@@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851250 496803449 /nfs/dbraw/zinc/80/34/49/496803449.db2.gz CDZHPILJGJYVJP-UYAOXDASSA-N 2 1 353.510 3.162 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134390 496830917 /nfs/dbraw/zinc/83/09/17/496830917.db2.gz PEICGTNEGZFYNA-HKUYNNGSSA-N 2 1 372.534 3.263 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000247481582 496868170 /nfs/dbraw/zinc/86/81/70/496868170.db2.gz WDOLHCQNHJMTIR-FPOVZHCZSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000247481582 496868173 /nfs/dbraw/zinc/86/81/73/496868173.db2.gz WDOLHCQNHJMTIR-FPOVZHCZSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000247481582 496868178 /nfs/dbraw/zinc/86/81/78/496868178.db2.gz WDOLHCQNHJMTIR-FPOVZHCZSA-N 2 1 374.573 3.174 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000247486042 496869884 /nfs/dbraw/zinc/86/98/84/496869884.db2.gz VFCGRGHEOCGAOW-LZLYRXPVSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000269256396 496906080 /nfs/dbraw/zinc/90/60/80/496906080.db2.gz JZVPIYQUXPMIAN-KOQQBVACSA-N 2 1 371.525 3.266 20 0 FGADMP O[C@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247705141 496908752 /nfs/dbraw/zinc/90/87/52/496908752.db2.gz YSQGTXQTPRMLCL-FPOVZHCZSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@H](COc1cccc2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247705141 496908756 /nfs/dbraw/zinc/90/87/56/496908756.db2.gz YSQGTXQTPRMLCL-FPOVZHCZSA-N 2 1 368.521 3.387 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc(Br)ncc1F ZINC000273816558 496917881 /nfs/dbraw/zinc/91/78/81/496917881.db2.gz CCPULDYUMIJKRY-GHMZBOCLSA-N 2 1 355.255 3.475 20 0 FGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277900489 496927842 /nfs/dbraw/zinc/92/78/42/496927842.db2.gz OYJJDGMAEYPWGS-GOSISDBHSA-N 2 1 369.509 3.348 20 0 FGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277900489 496927846 /nfs/dbraw/zinc/92/78/46/496927846.db2.gz OYJJDGMAEYPWGS-GOSISDBHSA-N 2 1 369.509 3.348 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247950095 496931320 /nfs/dbraw/zinc/93/13/20/496931320.db2.gz DYOUAWCECVXPMO-NVXWUHKLSA-N 2 1 360.889 3.349 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247950095 496931322 /nfs/dbraw/zinc/93/13/22/496931322.db2.gz DYOUAWCECVXPMO-NVXWUHKLSA-N 2 1 360.889 3.349 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000192034480 496969207 /nfs/dbraw/zinc/96/92/07/496969207.db2.gz HEQKBBJHNWOEGI-QFBILLFUSA-N 2 1 350.466 3.077 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404051 496998984 /nfs/dbraw/zinc/99/89/84/496998984.db2.gz POPLEJBMIPSFGT-QRFRQXIXSA-N 2 1 373.545 3.019 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404051 496998988 /nfs/dbraw/zinc/99/89/88/496998988.db2.gz POPLEJBMIPSFGT-QRFRQXIXSA-N 2 1 373.545 3.019 20 0 FGADMP Cc1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)C2=O)cc1 ZINC000189095892 497006766 /nfs/dbraw/zinc/00/67/66/497006766.db2.gz ORKWPFSFCBCTLJ-JOCHJYFZSA-N 2 1 369.553 3.483 20 0 FGADMP Fc1ccccc1-c1noc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000189126757 497015969 /nfs/dbraw/zinc/01/59/69/497015969.db2.gz XQXKMJLAQHSQCZ-KDOFPFPSSA-N 2 1 356.445 3.324 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000248462199 497020121 /nfs/dbraw/zinc/02/01/21/497020121.db2.gz YCYINRHXEIOXJY-KNQAVFIVSA-N 2 1 352.478 3.039 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248543119 497034226 /nfs/dbraw/zinc/03/42/26/497034226.db2.gz CJFQNTAVNINVHL-HBFSDRIKSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543119 497034233 /nfs/dbraw/zinc/03/42/33/497034233.db2.gz CJFQNTAVNINVHL-HBFSDRIKSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248589105 497049221 /nfs/dbraw/zinc/04/92/21/497049221.db2.gz QSQBPAJJLIGCDS-IRFCIJBXSA-N 2 1 360.542 3.286 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000226557648 497084135 /nfs/dbraw/zinc/08/41/35/497084135.db2.gz XQBPVHDRDDOCLM-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)CC1(CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)CCC1 ZINC000236674789 497130993 /nfs/dbraw/zinc/13/09/93/497130993.db2.gz PWDZLKMNGCQVBS-FQEVSTJZSA-N 2 1 368.525 3.134 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000236736576 497139873 /nfs/dbraw/zinc/13/98/73/497139873.db2.gz HDPBRRUEBLZXKU-INIZCTEOSA-N 2 1 358.313 3.057 20 0 FGADMP C[C@@]([NH3+])(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000192533002 497142615 /nfs/dbraw/zinc/14/26/15/497142615.db2.gz LIZVGAPWMYOATD-VYTWWXLVSA-N 2 1 363.505 3.172 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000236778298 497145466 /nfs/dbraw/zinc/14/54/66/497145466.db2.gz XBYDLUFEXCQNSJ-UHFFFAOYSA-N 2 1 371.319 3.430 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000278538603 497147496 /nfs/dbraw/zinc/14/74/96/497147496.db2.gz NXDKMBZLLHQDHW-QZTJIDSGSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC000278538603 497147498 /nfs/dbraw/zinc/14/74/98/497147498.db2.gz NXDKMBZLLHQDHW-QZTJIDSGSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000278538610 497147516 /nfs/dbraw/zinc/14/75/16/497147516.db2.gz NXDKMBZLLHQDHW-ZWKOTPCHSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC000278538610 497147518 /nfs/dbraw/zinc/14/75/18/497147518.db2.gz NXDKMBZLLHQDHW-ZWKOTPCHSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000278538607 497147859 /nfs/dbraw/zinc/14/78/59/497147859.db2.gz NXDKMBZLLHQDHW-ROUUACIJSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC000278538607 497147865 /nfs/dbraw/zinc/14/78/65/497147865.db2.gz NXDKMBZLLHQDHW-ROUUACIJSA-N 2 1 361.530 3.111 20 0 FGADMP CC[NH+](CC)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000236853322 497156446 /nfs/dbraw/zinc/15/64/46/497156446.db2.gz HYUZCBQTJOTKNE-UHFFFAOYSA-N 2 1 371.319 3.432 20 0 FGADMP CC[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236958874 497172863 /nfs/dbraw/zinc/17/28/63/497172863.db2.gz DASZNZAOKZFXOC-LEWJYISDSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866806 497186500 /nfs/dbraw/zinc/18/65/00/497186500.db2.gz DZQRWJGZMZKCRB-TYPHKJRUSA-N 2 1 350.510 3.161 20 0 FGADMP Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278685882 497189684 /nfs/dbraw/zinc/18/96/84/497189684.db2.gz RYWKSRJNBJCQSZ-NHCUHLMSSA-N 2 1 368.525 3.455 20 0 FGADMP Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000278685882 497189685 /nfs/dbraw/zinc/18/96/85/497189685.db2.gz RYWKSRJNBJCQSZ-NHCUHLMSSA-N 2 1 368.525 3.455 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274904693 497196384 /nfs/dbraw/zinc/19/63/84/497196384.db2.gz LYCATWSQHTVCOE-QUCCMNQESA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779242 497211929 /nfs/dbraw/zinc/21/19/29/497211929.db2.gz BFUCTRHHNCGDSO-FQEVSTJZSA-N 2 1 365.949 3.209 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@@H](C)C1 ZINC000265946154 497214640 /nfs/dbraw/zinc/21/46/40/497214640.db2.gz JQMGSCIQJIHHTF-RXVVDRJESA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000249517735 497216359 /nfs/dbraw/zinc/21/63/59/497216359.db2.gz HJXGSGSMTZTNPJ-VQTJNVASSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000249517735 497216362 /nfs/dbraw/zinc/21/63/62/497216362.db2.gz HJXGSGSMTZTNPJ-VQTJNVASSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000249517735 497216365 /nfs/dbraw/zinc/21/63/65/497216365.db2.gz HJXGSGSMTZTNPJ-VQTJNVASSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237475910 497241811 /nfs/dbraw/zinc/24/18/11/497241811.db2.gz CDXRCRYCTMQLJI-UTKZUKDTSA-N 2 1 351.494 3.235 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000237570426 497257119 /nfs/dbraw/zinc/25/71/19/497257119.db2.gz NMOALQKHYCEHIA-MRXNPFEDSA-N 2 1 351.498 3.479 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCc3ncc[nH]3)cc2)C1 ZINC000279104878 497333875 /nfs/dbraw/zinc/33/38/75/497333875.db2.gz BDABJUWPJUKOOO-CALCHBBNSA-N 2 1 354.498 3.137 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 ZINC000279126005 497341268 /nfs/dbraw/zinc/34/12/68/497341268.db2.gz QLGDNHWXIRTHCC-OXQOHEQNSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000279126005 497341275 /nfs/dbraw/zinc/34/12/75/497341275.db2.gz QLGDNHWXIRTHCC-OXQOHEQNSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000279126005 497341281 /nfs/dbraw/zinc/34/12/81/497341281.db2.gz QLGDNHWXIRTHCC-OXQOHEQNSA-N 2 1 352.482 3.183 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCCCn1cc[nH+]c1C ZINC000266504164 497359378 /nfs/dbraw/zinc/35/93/78/497359378.db2.gz LBUPKSOYIAUBIW-UHFFFAOYSA-N 2 1 371.529 3.265 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193474602 497390527 /nfs/dbraw/zinc/39/05/27/497390527.db2.gz PGLGBTVXKHIDRX-OAHLLOKOSA-N 2 1 352.910 3.117 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193474602 497390532 /nfs/dbraw/zinc/39/05/32/497390532.db2.gz PGLGBTVXKHIDRX-OAHLLOKOSA-N 2 1 352.910 3.117 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245426322 497399526 /nfs/dbraw/zinc/39/95/26/497399526.db2.gz LFWYIVGPKRMJCY-XJKSGUPXSA-N 2 1 357.420 3.306 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245433791 497403772 /nfs/dbraw/zinc/40/37/72/497403772.db2.gz PJXNPTGPNAHFBX-BZSNNMDCSA-N 2 1 363.571 3.464 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261573059 497415767 /nfs/dbraw/zinc/41/57/67/497415767.db2.gz APSJUSOSTPLNCI-DZFGPLHGSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585063 497415967 /nfs/dbraw/zinc/41/59/67/497415967.db2.gz IFYJXGGEBCJGFN-IOMROCGXSA-N 2 1 357.542 3.311 20 0 FGADMP c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc(OC2CCCC2)c1 ZINC000193588145 497420446 /nfs/dbraw/zinc/42/04/46/497420446.db2.gz GHOKZEFQNXAYKN-UHFFFAOYSA-N 2 1 357.542 3.221 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261626345 497422427 /nfs/dbraw/zinc/42/24/27/497422427.db2.gz GSPIFMSELBLGGN-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261626345 497422432 /nfs/dbraw/zinc/42/24/32/497422432.db2.gz GSPIFMSELBLGGN-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702844 497436892 /nfs/dbraw/zinc/43/68/92/497436892.db2.gz LQUQOQBHQMJFBJ-OAQYLSRUSA-N 2 1 353.466 3.478 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000279472342 497448550 /nfs/dbraw/zinc/44/85/50/497448550.db2.gz KCMCMMDQSAECRX-HSQYWUDLSA-N 2 1 354.494 3.119 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000245552439 497452880 /nfs/dbraw/zinc/45/28/80/497452880.db2.gz QLTPCUJDGOWDSD-FXELSEDVSA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@H]1O ZINC000245552439 497452885 /nfs/dbraw/zinc/45/28/85/497452885.db2.gz QLTPCUJDGOWDSD-FXELSEDVSA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@H]1O ZINC000245552439 497452889 /nfs/dbraw/zinc/45/28/89/497452889.db2.gz QLTPCUJDGOWDSD-FXELSEDVSA-N 2 1 354.579 3.123 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CC3=CC[N@@H+](C)CC3)c2)cc1 ZINC000271839342 497465972 /nfs/dbraw/zinc/46/59/72/497465972.db2.gz QJXRRBZAPXLUIT-UHFFFAOYSA-N 2 1 365.477 3.299 20 0 FGADMP C[C@@]1(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC000261884139 497467780 /nfs/dbraw/zinc/46/77/80/497467780.db2.gz ROIDENKPZPJJHF-GOSISDBHSA-N 2 1 355.448 3.213 20 0 FGADMP CC(C)(C)N1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000245681759 497499832 /nfs/dbraw/zinc/49/98/32/497499832.db2.gz JAPXEFKGTJDIBG-HAGHYFMRSA-N 2 1 355.526 3.171 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000193889640 497512352 /nfs/dbraw/zinc/51/23/52/497512352.db2.gz WISUFEWHZOPQAW-HXUWFJFHSA-N 2 1 371.569 3.446 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231817 497526960 /nfs/dbraw/zinc/52/69/60/497526960.db2.gz GXECRVLYAWGMDS-FXTMCPBRSA-N 2 1 369.553 3.167 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C ZINC000245890348 497561820 /nfs/dbraw/zinc/56/18/20/497561820.db2.gz JNRZNKJDOGMDRH-DLBZAZTESA-N 2 1 361.555 3.152 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000279860035 497566961 /nfs/dbraw/zinc/56/69/61/497566961.db2.gz SMWJTAVAQBOAOX-WZYRSQIMSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272243537 497574673 /nfs/dbraw/zinc/57/46/73/497574673.db2.gz HAVOOSKRZRCXMG-AEFFLSMTSA-N 2 1 371.550 3.450 20 0 FGADMP COC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000194129824 497582004 /nfs/dbraw/zinc/58/20/04/497582004.db2.gz ZIQYOVKXZOMEIJ-SFHVURJKSA-N 2 1 363.889 3.153 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194184764 497596965 /nfs/dbraw/zinc/59/69/65/497596965.db2.gz YTTQYTTYBLZRCV-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194184764 497596969 /nfs/dbraw/zinc/59/69/69/497596969.db2.gz YTTQYTTYBLZRCV-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194184764 497596973 /nfs/dbraw/zinc/59/69/73/497596973.db2.gz YTTQYTTYBLZRCV-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC3 ZINC000246039025 497602167 /nfs/dbraw/zinc/60/21/67/497602167.db2.gz WXPVVILVVYSQPA-MSOLQXFVSA-N 2 1 355.526 3.160 20 0 FGADMP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246085431 497615963 /nfs/dbraw/zinc/61/59/63/497615963.db2.gz HNDQDLCAOOIZNH-HKUYNNGSSA-N 2 1 370.459 3.417 20 0 FGADMP C[C@H](NC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)c1ccccc1 ZINC000246084306 497616150 /nfs/dbraw/zinc/61/61/50/497616150.db2.gz VTVGLNWOUNJTQM-CGTJXYLNSA-N 2 1 352.544 3.061 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100578 497621789 /nfs/dbraw/zinc/62/17/89/497621789.db2.gz JFIKMAMSFNIGDP-UGKGYDQZSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100578 497621793 /nfs/dbraw/zinc/62/17/93/497621793.db2.gz JFIKMAMSFNIGDP-UGKGYDQZSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100578 497621797 /nfs/dbraw/zinc/62/17/97/497621797.db2.gz JFIKMAMSFNIGDP-UGKGYDQZSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100578 497621801 /nfs/dbraw/zinc/62/18/01/497621801.db2.gz JFIKMAMSFNIGDP-UGKGYDQZSA-N 2 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100578 497621804 /nfs/dbraw/zinc/62/18/04/497621804.db2.gz JFIKMAMSFNIGDP-UGKGYDQZSA-N 2 1 370.585 3.133 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246192894 497655017 /nfs/dbraw/zinc/65/50/17/497655017.db2.gz VUGBDACYZFRVEG-AQCRLBJHSA-N 2 1 358.526 3.000 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246192894 497655020 /nfs/dbraw/zinc/65/50/20/497655020.db2.gz VUGBDACYZFRVEG-AQCRLBJHSA-N 2 1 358.526 3.000 20 0 FGADMP Brc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000268144583 497686298 /nfs/dbraw/zinc/68/62/98/497686298.db2.gz QLYRXNKTUQVXHP-BQFCYCMXSA-N 2 1 364.331 3.244 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272704254 497707912 /nfs/dbraw/zinc/70/79/12/497707912.db2.gz ZVHVAFRUBWKGRW-PGRDOPGGSA-N 2 1 365.521 3.437 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000246367182 497709669 /nfs/dbraw/zinc/70/96/69/497709669.db2.gz LHLYEDDGIPZLGW-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000246367182 497709674 /nfs/dbraw/zinc/70/96/74/497709674.db2.gz LHLYEDDGIPZLGW-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000246367182 497709677 /nfs/dbraw/zinc/70/96/77/497709677.db2.gz LHLYEDDGIPZLGW-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000272726802 497713210 /nfs/dbraw/zinc/71/32/10/497713210.db2.gz OFNFKDMDPKHDBO-RXVVDRJESA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000272726802 497713214 /nfs/dbraw/zinc/71/32/14/497713214.db2.gz OFNFKDMDPKHDBO-RXVVDRJESA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246461516 497742626 /nfs/dbraw/zinc/74/26/26/497742626.db2.gz FLVMBVJWBVJAJI-BIENJYKASA-N 2 1 363.452 3.241 20 0 FGADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529553 497765011 /nfs/dbraw/zinc/76/50/11/497765011.db2.gz JIHWEJRNXFKYCO-DQLDELGASA-N 2 1 371.500 3.094 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000246542549 497769650 /nfs/dbraw/zinc/76/96/50/497769650.db2.gz WPGDUCOQZKDVNZ-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000246542549 497769653 /nfs/dbraw/zinc/76/96/53/497769653.db2.gz WPGDUCOQZKDVNZ-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000246575069 497779273 /nfs/dbraw/zinc/77/92/73/497779273.db2.gz VIQOEPZTUYJIFZ-PGRDOPGGSA-N 2 1 365.521 3.420 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246581250 497781570 /nfs/dbraw/zinc/78/15/70/497781570.db2.gz UCMAJBYDBPSIPQ-CEWLAPEOSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246583954 497782408 /nfs/dbraw/zinc/78/24/08/497782408.db2.gz UKGPJZURCCXTCV-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000246583954 497782410 /nfs/dbraw/zinc/78/24/10/497782410.db2.gz UKGPJZURCCXTCV-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C(=O)NC1CCCCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000246591343 497784088 /nfs/dbraw/zinc/78/40/88/497784088.db2.gz MMCPTCSLEOFBJB-VQTJNVASSA-N 2 1 364.578 3.298 20 0 FGADMP C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000246701715 497801453 /nfs/dbraw/zinc/80/14/53/497801453.db2.gz CADYKBSDCDQZGS-KGLIPLIRSA-N 2 1 372.340 3.444 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000273167710 497806026 /nfs/dbraw/zinc/80/60/26/497806026.db2.gz DHXBYWZAXRBGFA-UHFFFAOYSA-N 2 1 363.933 3.106 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000273167710 497806029 /nfs/dbraw/zinc/80/60/29/497806029.db2.gz DHXBYWZAXRBGFA-UHFFFAOYSA-N 2 1 363.933 3.106 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CCN(c2ccccn2)CC1 ZINC000364228108 497849634 /nfs/dbraw/zinc/84/96/34/497849634.db2.gz YHWTVTKCPUMSMH-ICSRJNTNSA-N 2 1 370.541 3.163 20 0 FGADMP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268966 497871796 /nfs/dbraw/zinc/87/17/96/497871796.db2.gz XZVKXQABLVKFEW-APWZRJJASA-N 2 1 354.502 3.002 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000575300673 505956282 /nfs/dbraw/zinc/95/62/82/505956282.db2.gz WVBMBLCQJBPTLE-OAHLLOKOSA-N 2 1 370.335 3.473 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000296355474 498009783 /nfs/dbraw/zinc/00/97/83/498009783.db2.gz JFPWPXUNRIQKGH-OAQYLSRUSA-N 2 1 357.542 3.015 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218664 498025756 /nfs/dbraw/zinc/02/57/56/498025756.db2.gz XKUQPDYAFXFGMU-IEBWSBKVSA-N 2 1 355.526 3.208 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc[nH+]1 ZINC000330114585 498027303 /nfs/dbraw/zinc/02/73/03/498027303.db2.gz DZRHUTAHBNCZKZ-RMJJICAUSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc[nH+]1 ZINC000330114585 498027310 /nfs/dbraw/zinc/02/73/10/498027310.db2.gz DZRHUTAHBNCZKZ-RMJJICAUSA-N 2 1 373.545 3.013 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000569596216 505972848 /nfs/dbraw/zinc/97/28/48/505972848.db2.gz ZVCMODVMNWWHHU-XLIONFOSSA-N 2 1 372.484 3.381 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000289242797 498075062 /nfs/dbraw/zinc/07/50/62/498075062.db2.gz AASMCPZXDMPLLM-IBGZPJMESA-N 2 1 372.509 3.174 20 0 FGADMP COc1ccc(OCCC[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cc1 ZINC000364693064 498092585 /nfs/dbraw/zinc/09/25/85/498092585.db2.gz BWXOIFHWZPURFR-UGKGYDQZSA-N 2 1 369.509 3.484 20 0 FGADMP COc1ccc([C@H](NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)cc1 ZINC000285582333 498137719 /nfs/dbraw/zinc/13/77/19/498137719.db2.gz UBROQIUOHCXDQD-JVXMTQNBSA-N 2 1 373.541 3.066 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(C)c(O)c(C)c3)cc2)CC1 ZINC000578631708 505985284 /nfs/dbraw/zinc/98/52/84/505985284.db2.gz ZNYBNBWUZNXQBD-UHFFFAOYSA-N 2 1 367.537 3.436 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285616827 498147785 /nfs/dbraw/zinc/14/77/85/498147785.db2.gz JMAGRZWBBMDALH-WQZMEWCLSA-N 2 1 357.542 3.180 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000578637566 505986684 /nfs/dbraw/zinc/98/66/84/505986684.db2.gz YNTABDPHYAPAQY-GOSISDBHSA-N 2 1 372.557 3.107 20 0 FGADMP Cc1ccc2ncc(CN[C@@](C)(CO)c3ccc(Br)cc3)n2c1 ZINC000285644325 498157877 /nfs/dbraw/zinc/15/78/77/498157877.db2.gz XXDBLFRJAUEKDM-SFHVURJKSA-N 2 1 374.282 3.403 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292868223 498176886 /nfs/dbraw/zinc/17/68/86/498176886.db2.gz CYUXMOMRLCWLKE-VGOFRKELSA-N 2 1 369.509 3.370 20 0 FGADMP CCOC(=O)c1csc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000292912843 498194943 /nfs/dbraw/zinc/19/49/43/498194943.db2.gz KXYXWWBXANUGEH-NVXWUHKLSA-N 2 1 373.522 3.320 20 0 FGADMP CC[NH+](CC)Cc1ccc(NC(=O)C2(N3CC[NH+](C)CC3)CCCC2)cc1 ZINC000364933457 498216654 /nfs/dbraw/zinc/21/66/54/498216654.db2.gz ICYNMVKPPFYVIR-UHFFFAOYSA-N 2 1 372.557 3.027 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000575759098 505998349 /nfs/dbraw/zinc/99/83/49/505998349.db2.gz KTDJFCPNZCKBMR-MJGOQNOKSA-N 2 1 363.933 3.133 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486898 505999327 /nfs/dbraw/zinc/99/93/27/505999327.db2.gz INBXPRHVAXFWSU-MAUKXSAKSA-N 2 1 371.447 3.334 20 0 FGADMP C[C@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1nccc2ccccc21 ZINC000289724912 498265771 /nfs/dbraw/zinc/26/57/71/498265771.db2.gz LKMYOAVUDBKDTH-LAUBAEHRSA-N 2 1 361.489 3.305 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000575803570 506008435 /nfs/dbraw/zinc/00/84/35/506008435.db2.gz SYXNBBKVHPERGY-CGTJXYLNSA-N 2 1 371.506 3.156 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000575803570 506008440 /nfs/dbraw/zinc/00/84/40/506008440.db2.gz SYXNBBKVHPERGY-CGTJXYLNSA-N 2 1 371.506 3.156 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)cc1 ZINC000572612585 506012002 /nfs/dbraw/zinc/01/20/02/506012002.db2.gz JCVHJMIAQBFFHG-DOMZBBRYSA-N 2 1 356.367 3.051 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572620059 506013619 /nfs/dbraw/zinc/01/36/19/506013619.db2.gz URXOAHHIMZUOEL-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572620059 506013623 /nfs/dbraw/zinc/01/36/23/506013623.db2.gz URXOAHHIMZUOEL-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(Cl)c2)CC1 ZINC000572643213 506018518 /nfs/dbraw/zinc/01/85/18/506018518.db2.gz NYUJMMZIRAFLGZ-CVEARBPZSA-N 2 1 373.722 3.431 20 0 FGADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207109 498351520 /nfs/dbraw/zinc/35/15/20/498351520.db2.gz JYYDWOCFVRHTCG-ROUUACIJSA-N 2 1 361.534 3.085 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207109 498351524 /nfs/dbraw/zinc/35/15/24/498351524.db2.gz JYYDWOCFVRHTCG-ROUUACIJSA-N 2 1 361.534 3.085 20 0 FGADMP O[C@@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000293349353 498354988 /nfs/dbraw/zinc/35/49/88/498354988.db2.gz NQRQHGRPKSDXJU-QGZVFWFLSA-N 2 1 356.432 3.288 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000365252850 498374516 /nfs/dbraw/zinc/37/45/16/498374516.db2.gz CHUSEGCNFPMAAG-UHFFFAOYSA-N 2 1 368.525 3.256 20 0 FGADMP C[C@H](c1ccccc1Br)N1CCC([N@@H+](C)CCCO)CC1 ZINC000572634965 506016721 /nfs/dbraw/zinc/01/67/21/506016721.db2.gz CBRGAVFROPPGEQ-CQSZACIVSA-N 2 1 355.320 3.289 20 0 FGADMP Cc1[nH+]c2ccccc2c(N2CCN(c3cc[nH+]c(N(C)C)n3)CC2)c1C ZINC000302096576 498404136 /nfs/dbraw/zinc/40/41/36/498404136.db2.gz SLNNOSSVQDZKTB-UHFFFAOYSA-N 2 1 362.481 3.034 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc(C[NH3+])cc2)cc1F ZINC000361729870 498423043 /nfs/dbraw/zinc/42/30/43/498423043.db2.gz VFFWPPXWBGUFQU-CYBMUJFWSA-N 2 1 352.413 3.270 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000361720314 498423701 /nfs/dbraw/zinc/42/37/01/498423701.db2.gz XWDBPLWJUKMTAD-LZYRVKDDSA-N 2 1 361.555 3.168 20 0 FGADMP CCc1noc(C)c1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000361757928 498426735 /nfs/dbraw/zinc/42/67/35/498426735.db2.gz YEDQQTKLRFMWNX-UHFFFAOYSA-N 2 1 362.562 3.174 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@H](C)c3ccccc3)CC2)CC1 ZINC000569863271 506033868 /nfs/dbraw/zinc/03/38/68/506033868.db2.gz FDQLHECBCJXLKR-IBGZPJMESA-N 2 1 371.569 3.445 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293679533 498451673 /nfs/dbraw/zinc/45/16/73/498451673.db2.gz KGXLXRYYACBXMV-TZMCWYRMSA-N 2 1 373.360 3.324 20 0 FGADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000362252787 498482371 /nfs/dbraw/zinc/48/23/71/498482371.db2.gz BKRXTOGCGLBJQN-HXUWFJFHSA-N 2 1 352.526 3.144 20 0 FGADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000302440729 498485634 /nfs/dbraw/zinc/48/56/34/498485634.db2.gz NBOBCILTPWDUGA-QFIPXVFZSA-N 2 1 365.452 3.447 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3CCSC3)CC2)c1C ZINC000290308718 498503634 /nfs/dbraw/zinc/50/36/34/498503634.db2.gz BYTPOOXBUGRVOW-KRWDZBQOSA-N 2 1 363.571 3.356 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3CCSC3)CC2)c1C ZINC000290308718 498503641 /nfs/dbraw/zinc/50/36/41/498503641.db2.gz BYTPOOXBUGRVOW-KRWDZBQOSA-N 2 1 363.571 3.356 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362616330 498525045 /nfs/dbraw/zinc/52/50/45/498525045.db2.gz LLEFGNQHXCJABN-GOSISDBHSA-N 2 1 355.526 3.384 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981221 506048429 /nfs/dbraw/zinc/04/84/29/506048429.db2.gz BVKYCKIFHGYPNQ-JKSUJKDBSA-N 2 1 374.447 3.155 20 0 FGADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282540171 498550275 /nfs/dbraw/zinc/55/02/75/498550275.db2.gz RJNGQNKCUYNXQP-GOSISDBHSA-N 2 1 359.539 3.109 20 0 FGADMP Cc1csc(=O)n1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282540171 498550283 /nfs/dbraw/zinc/55/02/83/498550283.db2.gz RJNGQNKCUYNXQP-GOSISDBHSA-N 2 1 359.539 3.109 20 0 FGADMP C(CC[N@H+]1CC[C@@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000362774562 498551153 /nfs/dbraw/zinc/55/11/53/498551153.db2.gz LMFHPMPXRUFXOB-SZPZYZBQSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000362774562 498551158 /nfs/dbraw/zinc/55/11/58/498551158.db2.gz LMFHPMPXRUFXOB-SZPZYZBQSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000362774562 498551161 /nfs/dbraw/zinc/55/11/61/498551161.db2.gz LMFHPMPXRUFXOB-SZPZYZBQSA-N 2 1 364.574 3.264 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000290456810 498559813 /nfs/dbraw/zinc/55/98/13/498559813.db2.gz WHRDZVMMPDAEMD-MRXNPFEDSA-N 2 1 373.497 3.280 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000290514948 498581648 /nfs/dbraw/zinc/58/16/48/498581648.db2.gz PUELYAFFQMXTEF-UHFFFAOYSA-N 2 1 352.486 3.153 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000290514948 498581652 /nfs/dbraw/zinc/58/16/52/498581652.db2.gz PUELYAFFQMXTEF-UHFFFAOYSA-N 2 1 352.486 3.153 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1(C)C ZINC000294120428 498595244 /nfs/dbraw/zinc/59/52/44/498595244.db2.gz KRKOZNDTYHUMTD-CYBMUJFWSA-N 2 1 372.376 3.114 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC3(CC[NH+](Cc4ccccc4)C3)CC2)CC[N@H+]1C ZINC000365686104 498597411 /nfs/dbraw/zinc/59/74/11/498597411.db2.gz JBKIGLHDWQQVDI-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)CC[NH+]1C ZINC000365686104 498597415 /nfs/dbraw/zinc/59/74/15/498597415.db2.gz JBKIGLHDWQQVDI-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC[NH+]1C ZINC000365686104 498597419 /nfs/dbraw/zinc/59/74/19/498597419.db2.gz JBKIGLHDWQQVDI-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)cc1 ZINC000363013159 498603930 /nfs/dbraw/zinc/60/39/30/498603930.db2.gz DOEGAHCSCRTPGJ-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)cc1 ZINC000363013159 498603935 /nfs/dbraw/zinc/60/39/35/498603935.db2.gz DOEGAHCSCRTPGJ-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569986330 506062370 /nfs/dbraw/zinc/06/23/70/506062370.db2.gz SZIFAMNFZNAWJS-LJQANCHMSA-N 2 1 367.493 3.217 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000365775925 498636376 /nfs/dbraw/zinc/63/63/76/498636376.db2.gz CIHBZMIRZWQDLZ-IBGZPJMESA-N 2 1 373.545 3.055 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000365779187 498637109 /nfs/dbraw/zinc/63/71/09/498637109.db2.gz PANBDBVUAQSSGU-SFHVURJKSA-N 2 1 370.541 3.448 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000365779187 498637115 /nfs/dbraw/zinc/63/71/15/498637115.db2.gz PANBDBVUAQSSGU-SFHVURJKSA-N 2 1 370.541 3.448 20 0 FGADMP COc1ccc([C@H]2[C@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@H+]2C)cc1 ZINC000363136488 498669275 /nfs/dbraw/zinc/66/92/75/498669275.db2.gz JDNDAWOBSLEOJH-LPHOPBHVSA-N 2 1 353.470 3.110 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000365967030 498716030 /nfs/dbraw/zinc/71/60/30/498716030.db2.gz GASHZTWOVBCMDM-FXAWDEMLSA-N 2 1 363.933 3.181 20 0 FGADMP C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682407 498761728 /nfs/dbraw/zinc/76/17/28/498761728.db2.gz LFWIKXNYFQLQHS-BWAGFHJFSA-N 2 1 365.521 3.493 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccsc1 ZINC000294652079 498762422 /nfs/dbraw/zinc/76/24/22/498762422.db2.gz YNIQFPNJFKXAIZ-GOSISDBHSA-N 2 1 369.494 3.142 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C[C@@H](C)O1 ZINC000363354566 498776388 /nfs/dbraw/zinc/77/63/88/498776388.db2.gz CGJNKSJSXPEPPD-HNBVOPMISA-N 2 1 371.525 3.109 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000366234039 498834389 /nfs/dbraw/zinc/83/43/89/498834389.db2.gz HYYIOQLUWXQGRL-GOSISDBHSA-N 2 1 369.557 3.338 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294910211 498846540 /nfs/dbraw/zinc/84/65/40/498846540.db2.gz AFIHHMLFLCGQHD-CUWPLCDZSA-N 2 1 351.494 3.022 20 0 FGADMP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275129 498853158 /nfs/dbraw/zinc/85/31/58/498853158.db2.gz ARPZSJMBIVNUHC-KBXCAEBGSA-N 2 1 373.547 3.444 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000366291884 498862159 /nfs/dbraw/zinc/86/21/59/498862159.db2.gz YZFZNKAYZYPVKA-SJORKVTESA-N 2 1 371.529 3.357 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1OC ZINC000576279749 506119922 /nfs/dbraw/zinc/11/99/22/506119922.db2.gz HEEYWWHJSDHNCG-IYBDPMFKSA-N 2 1 373.522 3.259 20 0 FGADMP Fc1ccc([C@H](NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000363829779 499015347 /nfs/dbraw/zinc/01/53/47/499015347.db2.gz TXKRSMOYKMDMID-BVYCBKJFSA-N 2 1 369.484 3.401 20 0 FGADMP Cc1nn(-c2ccncc2)cc1C[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000333529423 499023935 /nfs/dbraw/zinc/02/39/35/499023935.db2.gz XVTUIYCAUJVECW-IBGZPJMESA-N 3 1 362.481 3.098 20 0 FGADMP Cc1nn(-c2ccncc2)cc1C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000333529423 499023937 /nfs/dbraw/zinc/02/39/37/499023937.db2.gz XVTUIYCAUJVECW-IBGZPJMESA-N 3 1 362.481 3.098 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)C1 ZINC000333589264 499037037 /nfs/dbraw/zinc/03/70/37/499037037.db2.gz AWLMECZKYXZPAS-BMQTXXJKSA-N 2 1 372.557 3.043 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000299471981 499069374 /nfs/dbraw/zinc/06/93/74/499069374.db2.gz YNQFLZAPDCDBAV-PKOBYXMFSA-N 2 1 372.513 3.006 20 0 FGADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329197039 499069779 /nfs/dbraw/zinc/06/97/79/499069779.db2.gz VBIMCNDGONQAPN-UHFFFAOYSA-N 2 1 366.509 3.103 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279090 506131422 /nfs/dbraw/zinc/13/14/22/506131422.db2.gz FHPIADBECBPRIJ-JAXLGGSGSA-N 2 1 356.510 3.111 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279090 506131426 /nfs/dbraw/zinc/13/14/26/506131426.db2.gz FHPIADBECBPRIJ-JAXLGGSGSA-N 2 1 356.510 3.111 20 0 FGADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000576338416 506134387 /nfs/dbraw/zinc/13/43/87/506134387.db2.gz NSUWPFXDLJITQJ-DYVFJYSZSA-N 2 1 361.511 3.156 20 0 FGADMP COc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000284463625 499111582 /nfs/dbraw/zinc/11/15/82/499111582.db2.gz TZXDTSCFPGKDDH-KKXDTOCCSA-N 2 1 367.921 3.162 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000366943110 499119553 /nfs/dbraw/zinc/11/95/53/499119553.db2.gz JMBMRURMROHAEI-PELUFGRGSA-N 2 1 355.526 3.076 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000369806042 499131589 /nfs/dbraw/zinc/13/15/89/499131589.db2.gz RZZBQJKQFOZFNQ-UHFFFAOYSA-N 2 1 352.482 3.265 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199371 499160539 /nfs/dbraw/zinc/16/05/39/499160539.db2.gz JJSBDNGCNVMEGZ-ROUUACIJSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779250 499174479 /nfs/dbraw/zinc/17/44/79/499174479.db2.gz CKSIZCIOUGQPSY-MOXQZVSFSA-N 2 1 368.525 3.412 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779250 499174480 /nfs/dbraw/zinc/17/44/80/499174480.db2.gz CKSIZCIOUGQPSY-MOXQZVSFSA-N 2 1 368.525 3.412 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000372836021 499182119 /nfs/dbraw/zinc/18/21/19/499182119.db2.gz DYFSUQGMTTUPAD-OAHLLOKOSA-N 3 1 350.576 3.298 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)C1CC[NH+](C)CC1 ZINC000367423801 499197416 /nfs/dbraw/zinc/19/74/16/499197416.db2.gz WXSCAANZIKZOPN-LJQANCHMSA-N 3 1 367.541 3.320 20 0 FGADMP O=C(NCc1nccn1CCCc1ccccc1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000370241265 499200885 /nfs/dbraw/zinc/20/08/85/499200885.db2.gz CFKVDMJUDNRWEO-UXHICEINSA-N 2 1 366.509 3.007 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482840 499204502 /nfs/dbraw/zinc/20/45/02/499204502.db2.gz IKUSIGFWGDJQEA-SVFBPWRDSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@@H]2CCC[C@H]21 ZINC000367611328 499217497 /nfs/dbraw/zinc/21/74/97/499217497.db2.gz BQMSNTYGXAQPPV-GBESFXJTSA-N 2 1 353.466 3.494 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1F ZINC000370574277 499232789 /nfs/dbraw/zinc/23/27/89/499232789.db2.gz SPLLQNKLRFLOAV-RIVXBTQJSA-N 2 1 350.478 3.374 20 0 FGADMP CN(C(=O)/C=C/c1ccc(Cl)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370836204 499260504 /nfs/dbraw/zinc/26/05/04/499260504.db2.gz ANLQCJIOQUKEGQ-DRDHIDPGSA-N 2 1 367.946 3.042 20 0 FGADMP CN(C(=O)/C=C/c1ccc(Cl)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370836204 499260505 /nfs/dbraw/zinc/26/05/05/499260505.db2.gz ANLQCJIOQUKEGQ-DRDHIDPGSA-N 2 1 367.946 3.042 20 0 FGADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153849 499269629 /nfs/dbraw/zinc/26/96/29/499269629.db2.gz WHXAIMABBWWLQY-VQIMIIECSA-N 2 1 368.481 3.120 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153849 499269630 /nfs/dbraw/zinc/26/96/30/499269630.db2.gz WHXAIMABBWWLQY-VQIMIIECSA-N 2 1 368.481 3.120 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368165086 499270430 /nfs/dbraw/zinc/27/04/30/499270430.db2.gz ONZYVNXVNICSGM-VQTJNVASSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368165086 499270432 /nfs/dbraw/zinc/27/04/32/499270432.db2.gz ONZYVNXVNICSGM-VQTJNVASSA-N 2 1 355.457 3.063 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247493 499278085 /nfs/dbraw/zinc/27/80/85/499278085.db2.gz ZXYQSBKGIRVFAE-MLNNCEHLSA-N 2 1 365.606 3.054 20 0 FGADMP CCCCS[C@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371091859 499287889 /nfs/dbraw/zinc/28/78/89/499287889.db2.gz XMCCIZKOLDNFIQ-QGZVFWFLSA-N 2 1 369.619 3.221 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc4[nH]ccc4c3)CC2)CC1 ZINC000371094990 499288091 /nfs/dbraw/zinc/28/80/91/499288091.db2.gz SMXLSQOXFTYYJH-UHFFFAOYSA-N 2 1 368.525 3.094 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000371125621 499290909 /nfs/dbraw/zinc/29/09/09/499290909.db2.gz BWMVHTWMAMZAHG-HXUWFJFHSA-N 2 1 366.509 3.346 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000368416099 499293548 /nfs/dbraw/zinc/29/35/48/499293548.db2.gz HRXSMFAWRZMZLM-KOUHRCEDSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000368416099 499293549 /nfs/dbraw/zinc/29/35/49/499293549.db2.gz HRXSMFAWRZMZLM-KOUHRCEDSA-N 2 1 373.541 3.109 20 0 FGADMP CCc1ccc2c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc(=O)oc2c1 ZINC000371289068 499306279 /nfs/dbraw/zinc/30/62/79/499306279.db2.gz HLQJXUPKTFJOIQ-FBBABVLZSA-N 2 1 370.493 3.039 20 0 FGADMP CCc1ccc2c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc(=O)oc2c1 ZINC000371289068 499306280 /nfs/dbraw/zinc/30/62/80/499306280.db2.gz HLQJXUPKTFJOIQ-FBBABVLZSA-N 2 1 370.493 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301593 499307351 /nfs/dbraw/zinc/30/73/51/499307351.db2.gz GIUNLJFRXJMONS-KNQAVFIVSA-N 2 1 367.537 3.176 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316554 499309480 /nfs/dbraw/zinc/30/94/80/499309480.db2.gz GMJXQVUDOOEPIT-WXSAJPJJSA-N 2 1 350.478 3.374 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)ccc1F ZINC000371316554 499309482 /nfs/dbraw/zinc/30/94/82/499309482.db2.gz GMJXQVUDOOEPIT-WXSAJPJJSA-N 2 1 350.478 3.374 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(F)cccc3N3CCCC3)C2)CC1 ZINC000371332168 499311812 /nfs/dbraw/zinc/31/18/12/499311812.db2.gz NLROSYGAASTDBI-IBGZPJMESA-N 2 1 374.548 3.026 20 0 FGADMP COc1ccc2oc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000371334715 499312213 /nfs/dbraw/zinc/31/22/13/499312213.db2.gz ZAPRSUDUGOEJOF-GOSISDBHSA-N 2 1 357.498 3.042 20 0 FGADMP C[NH+](C)[C@H]1CCc2ccccc2[C@@H]1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000371489991 499333432 /nfs/dbraw/zinc/33/34/32/499333432.db2.gz UGRQWPFNLMWDSF-GOTSBHOMSA-N 2 1 364.537 3.253 20 0 FGADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000371900518 499376553 /nfs/dbraw/zinc/37/65/53/499376553.db2.gz ZHQIIXFRGCQGKO-UHFFFAOYSA-N 2 1 355.530 3.288 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2N2CCOCC2)cc1 ZINC000372060893 499394621 /nfs/dbraw/zinc/39/46/21/499394621.db2.gz MXWYJXHRRLAVTB-UCNVEGJOSA-N 2 1 368.525 3.332 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]([NH3+])c1ccccc1 ZINC000372099331 499399029 /nfs/dbraw/zinc/39/90/29/499399029.db2.gz SZMMAGWYXRNEDC-WQCNXYOZSA-N 2 1 357.523 3.193 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385706 506145443 /nfs/dbraw/zinc/14/54/43/506145443.db2.gz DLOLNLHFJIOKKH-QZTJIDSGSA-N 2 1 371.525 3.161 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385707 506145457 /nfs/dbraw/zinc/14/54/57/506145457.db2.gz DLOLNLHFJIOKKH-ROUUACIJSA-N 2 1 371.525 3.161 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000372190508 499406969 /nfs/dbraw/zinc/40/69/69/499406969.db2.gz BNNWJBUESZYHAT-IRLDBZIGSA-N 2 1 367.537 3.371 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000372193913 499407492 /nfs/dbraw/zinc/40/74/92/499407492.db2.gz SNLMEPUWDRNIBT-INIZCTEOSA-N 2 1 354.458 3.060 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000372193913 499407493 /nfs/dbraw/zinc/40/74/93/499407493.db2.gz SNLMEPUWDRNIBT-INIZCTEOSA-N 2 1 354.458 3.060 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353676 499424027 /nfs/dbraw/zinc/42/40/27/499424027.db2.gz HFBNXDKDFZXFKK-LZQZEXGQSA-N 2 1 373.472 3.460 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000372410057 499431694 /nfs/dbraw/zinc/43/16/94/499431694.db2.gz OKDMWWVSXOYRIX-HSALFYBXSA-N 2 1 357.542 3.043 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000378214749 499490859 /nfs/dbraw/zinc/49/08/59/499490859.db2.gz LJSLIOMMYJUSBT-RTBURBONSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000378214749 499490861 /nfs/dbraw/zinc/49/08/61/499490861.db2.gz LJSLIOMMYJUSBT-RTBURBONSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)C1 ZINC000378214749 499490862 /nfs/dbraw/zinc/49/08/62/499490862.db2.gz LJSLIOMMYJUSBT-RTBURBONSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2cccs2)CC1 ZINC000375179486 499492580 /nfs/dbraw/zinc/49/25/80/499492580.db2.gz XONFRRXSWOJTDC-LKGOPFMKSA-N 2 1 361.555 3.215 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2cccs2)CC1 ZINC000375179486 499492581 /nfs/dbraw/zinc/49/25/81/499492581.db2.gz XONFRRXSWOJTDC-LKGOPFMKSA-N 2 1 361.555 3.215 20 0 FGADMP C[C@@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369462 499508204 /nfs/dbraw/zinc/50/82/04/499508204.db2.gz KVZZSQLIYQPNHV-QGZVFWFLSA-N 2 1 365.949 3.209 20 0 FGADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540076 499529714 /nfs/dbraw/zinc/52/97/14/499529714.db2.gz PAQULLWJFFRRFT-FQEVSTJZSA-N 2 1 361.436 3.242 20 0 FGADMP C[C@H]1C[C@H](C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000378543949 499530155 /nfs/dbraw/zinc/53/01/55/499530155.db2.gz KTCWOPDIRJXTBE-RUYXUALKSA-N 2 1 363.590 3.371 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622936 499542332 /nfs/dbraw/zinc/54/23/32/499542332.db2.gz HOUMROKIOJSUNH-ILWGZMRPSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622936 499542334 /nfs/dbraw/zinc/54/23/34/499542334.db2.gz HOUMROKIOJSUNH-ILWGZMRPSA-N 2 1 368.521 3.377 20 0 FGADMP C[C@H]([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389156288 499552432 /nfs/dbraw/zinc/55/24/32/499552432.db2.gz YCCWBMHZSDKDEC-JBACZVJFSA-N 2 1 358.526 3.215 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375814147 499558364 /nfs/dbraw/zinc/55/83/64/499558364.db2.gz KUOXUVPYUQDBLO-YJBOKZPZSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375814147 499558365 /nfs/dbraw/zinc/55/83/65/499558365.db2.gz KUOXUVPYUQDBLO-YJBOKZPZSA-N 2 1 371.447 3.043 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)ccn1 ZINC000375895207 499565940 /nfs/dbraw/zinc/56/59/40/499565940.db2.gz KIZNKLOURLHARL-LJQANCHMSA-N 2 1 357.502 3.156 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000579336792 506150323 /nfs/dbraw/zinc/15/03/23/506150323.db2.gz XDCVMMCCEDDVJL-VABKMULXSA-N 3 1 371.569 3.166 20 0 FGADMP CN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000579336792 506150328 /nfs/dbraw/zinc/15/03/28/506150328.db2.gz XDCVMMCCEDDVJL-VABKMULXSA-N 2 1 371.569 3.166 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccccc1 ZINC000376161026 499587513 /nfs/dbraw/zinc/58/75/13/499587513.db2.gz GDOONDMIUUDJIM-AEFFLSMTSA-N 2 1 355.448 3.296 20 0 FGADMP COc1ccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)cc1OC ZINC000376342564 499601616 /nfs/dbraw/zinc/60/16/16/499601616.db2.gz YCUSMYQAIUVILS-UHFFFAOYSA-N 2 1 355.482 3.195 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](c4nccn4C)C3)ccc2o1 ZINC000377261235 499674795 /nfs/dbraw/zinc/67/47/95/499674795.db2.gz HZDDWPUYXBPEGN-HNNXBMFYSA-N 2 1 353.422 3.333 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000377558643 499704449 /nfs/dbraw/zinc/70/44/49/499704449.db2.gz AGJWAAWSGGVGFD-SFHVURJKSA-N 2 1 359.445 3.165 20 0 FGADMP c1cc(C[NH+]2CCCCC2)cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000411261259 499718496 /nfs/dbraw/zinc/71/84/96/499718496.db2.gz POAJNKWJMGSQHP-HSZRJFAPSA-N 2 1 371.569 3.217 20 0 FGADMP C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692527 499720722 /nfs/dbraw/zinc/72/07/22/499720722.db2.gz JBIKCFSZRZLMAY-GOSISDBHSA-N 2 1 358.511 3.490 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1 ZINC000377704073 499722614 /nfs/dbraw/zinc/72/26/14/499722614.db2.gz VTMQCQWGUQEZIA-FBEWHJACSA-N 2 1 369.509 3.494 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@H]2[C@@H]2COCC[C@@]2(C)O)cc1 ZINC000377704073 499722615 /nfs/dbraw/zinc/72/26/15/499722615.db2.gz VTMQCQWGUQEZIA-FBEWHJACSA-N 2 1 369.509 3.494 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)c(OC)c1OC ZINC000377758711 499729851 /nfs/dbraw/zinc/72/98/51/499729851.db2.gz DGTOCPQHDGGPMP-FXAWDEMLSA-N 2 1 370.493 3.495 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(OC)c1OC ZINC000377758711 499729852 /nfs/dbraw/zinc/72/98/52/499729852.db2.gz DGTOCPQHDGGPMP-FXAWDEMLSA-N 2 1 370.493 3.495 20 0 FGADMP O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411061 499736560 /nfs/dbraw/zinc/73/65/60/499736560.db2.gz FOYGWELRLGAZAN-NHCUHLMSSA-N 2 1 355.526 3.163 20 0 FGADMP CN(C)c1ncc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000411504621 499748528 /nfs/dbraw/zinc/74/85/28/499748528.db2.gz ZCZZHHQSOISKFY-UHFFFAOYSA-N 2 1 353.514 3.161 20 0 FGADMP CN(C)c1ncc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000411504621 499748529 /nfs/dbraw/zinc/74/85/29/499748529.db2.gz ZCZZHHQSOISKFY-UHFFFAOYSA-N 2 1 353.514 3.161 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc4cc[nH]c4c3)CC2)CC1 ZINC000573266165 506158055 /nfs/dbraw/zinc/15/80/55/506158055.db2.gz VFSBWMDGYJAGEJ-UHFFFAOYSA-N 2 1 368.525 3.327 20 0 FGADMP c1cc(C[N@@H+]2CCO[C@@H](COCC3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411560046 499763077 /nfs/dbraw/zinc/76/30/77/499763077.db2.gz JIIYQRFBNUBXIE-JOCHJYFZSA-N 2 1 358.526 3.300 20 0 FGADMP c1cc(C[N@H+]2CCO[C@@H](COCC3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411560046 499763079 /nfs/dbraw/zinc/76/30/79/499763079.db2.gz JIIYQRFBNUBXIE-JOCHJYFZSA-N 2 1 358.526 3.300 20 0 FGADMP CCc1ncc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000414326758 499778132 /nfs/dbraw/zinc/77/81/32/499778132.db2.gz LUPWDUUIXVFWAL-INIZCTEOSA-N 2 1 371.504 3.171 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677140 499819696 /nfs/dbraw/zinc/81/96/96/499819696.db2.gz ONIVOMAZJKUWSG-STQMWFEESA-N 2 1 358.313 3.184 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCCC1 ZINC000414706681 499821434 /nfs/dbraw/zinc/82/14/34/499821434.db2.gz GWPDFLTYIDRMBF-HDICACEKSA-N 2 1 356.514 3.134 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813844 499833732 /nfs/dbraw/zinc/83/37/32/499833732.db2.gz MZSIJLZCSXZPPD-IUODEOHRSA-N 2 1 356.308 3.273 20 0 FGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838327 499836275 /nfs/dbraw/zinc/83/62/75/499836275.db2.gz KHWJWGPMPWGFBG-WFASDCNBSA-N 2 1 356.308 3.129 20 0 FGADMP FC(F)Oc1c(Br)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414840302 499836374 /nfs/dbraw/zinc/83/63/74/499836374.db2.gz YNZVFZCRPNYRST-FOSCPWQOSA-N 2 1 361.230 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000414898052 499843125 /nfs/dbraw/zinc/84/31/25/499843125.db2.gz FSWRCWOLKCDAPW-YJBOKZPZSA-N 2 1 355.486 3.256 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415054467 499858805 /nfs/dbraw/zinc/85/88/05/499858805.db2.gz MBWSSFORDYRPKK-CXAGYDPISA-N 2 1 360.420 3.443 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415055814 499859034 /nfs/dbraw/zinc/85/90/34/499859034.db2.gz OWOKFLOMTKSFKJ-UHFFFAOYSA-N 2 1 366.347 3.064 20 0 FGADMP COc1ccc2cc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccc2c1 ZINC000415057619 499859424 /nfs/dbraw/zinc/85/94/24/499859424.db2.gz RUMMVQIPLDJDOX-UHFFFAOYSA-N 2 1 353.510 3.154 20 0 FGADMP [NH3+]C1(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCCC1 ZINC000415065090 499860042 /nfs/dbraw/zinc/86/00/42/499860042.db2.gz FGERBIMZZBUNAK-UHFFFAOYSA-N 2 1 362.543 3.019 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3NCC4)c2)CCO1 ZINC000415089478 499862256 /nfs/dbraw/zinc/86/22/56/499862256.db2.gz XZASIAPMIAXEDF-KRWDZBQOSA-N 2 1 351.494 3.165 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3NCC4)c2)CCO1 ZINC000415089478 499862257 /nfs/dbraw/zinc/86/22/57/499862257.db2.gz XZASIAPMIAXEDF-KRWDZBQOSA-N 2 1 351.494 3.165 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCCCc3ccccc3)c2)CCCO1 ZINC000415101459 499863649 /nfs/dbraw/zinc/86/36/49/499863649.db2.gz BXGKSZHLDRVSRK-JOCHJYFZSA-N 2 1 354.494 3.248 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCCCc3ccccc3)c2)CCCO1 ZINC000415101459 499863650 /nfs/dbraw/zinc/86/36/50/499863650.db2.gz BXGKSZHLDRVSRK-JOCHJYFZSA-N 2 1 354.494 3.248 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000415960106 499933507 /nfs/dbraw/zinc/93/35/07/499933507.db2.gz NOISUAIIDLNMAW-UHFFFAOYSA-N 2 1 354.454 3.185 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976869 499936127 /nfs/dbraw/zinc/93/61/27/499936127.db2.gz VYDSXSHVZHDXKS-QWHCGFSZSA-N 2 1 372.435 3.406 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415975245 499936273 /nfs/dbraw/zinc/93/62/73/499936273.db2.gz SJZUNTBRQHFRJO-GFCCVEGCSA-N 2 1 358.408 3.018 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000416014851 499941043 /nfs/dbraw/zinc/94/10/43/499941043.db2.gz SVTGBVMLHWOMQT-IBGZPJMESA-N 2 1 352.482 3.050 20 0 FGADMP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000416189165 499974052 /nfs/dbraw/zinc/97/40/52/499974052.db2.gz ACUNMJUDLDBMRT-UYAOXDASSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189165 499974058 /nfs/dbraw/zinc/97/40/58/499974058.db2.gz ACUNMJUDLDBMRT-UYAOXDASSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189165 499974061 /nfs/dbraw/zinc/97/40/61/499974061.db2.gz ACUNMJUDLDBMRT-UYAOXDASSA-N 2 1 369.553 3.204 20 0 FGADMP c1ccc([C@H]2C[C@H]([NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC[NH2+]2)cc1 ZINC000570440495 506168624 /nfs/dbraw/zinc/16/86/24/506168624.db2.gz USTLSFMMSPTSGY-MKXGPGLRSA-N 2 1 368.481 3.250 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429136829 500010205 /nfs/dbraw/zinc/01/02/05/500010205.db2.gz BAIHXHUJOYIAID-UHFFFAOYSA-N 2 1 355.526 3.046 20 0 FGADMP COc1cc2[nH+]ccc(N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)c2cc1Br ZINC000425271099 500061599 /nfs/dbraw/zinc/06/15/99/500061599.db2.gz UQYWRZNRNUEWAK-MEDUHNTESA-N 2 1 362.271 3.146 20 0 FGADMP COc1cc2[nH+]ccc(N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2cc1Br ZINC000425271099 500061604 /nfs/dbraw/zinc/06/16/04/500061604.db2.gz UQYWRZNRNUEWAK-MEDUHNTESA-N 2 1 362.271 3.146 20 0 FGADMP CS[C@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350984 500082171 /nfs/dbraw/zinc/08/21/71/500082171.db2.gz LVFKMFRZKMZMIW-UXHICEINSA-N 2 1 364.555 3.160 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486924 500086177 /nfs/dbraw/zinc/08/61/77/500086177.db2.gz HHDPZDGRLIHYFG-QRWLVFNGSA-N 2 1 355.457 3.126 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486924 500086182 /nfs/dbraw/zinc/08/61/82/500086182.db2.gz HHDPZDGRLIHYFG-QRWLVFNGSA-N 2 1 355.457 3.126 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[N@H+](C)Cc1ccccc1 ZINC000413895423 500088861 /nfs/dbraw/zinc/08/88/61/500088861.db2.gz AGHXMGGEONXWEX-INIZCTEOSA-N 2 1 373.472 3.225 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413895423 500088867 /nfs/dbraw/zinc/08/88/67/500088867.db2.gz AGHXMGGEONXWEX-INIZCTEOSA-N 2 1 373.472 3.225 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000417587091 500118726 /nfs/dbraw/zinc/11/87/26/500118726.db2.gz NMXBFGLSMTYBPZ-DLBZAZTESA-N 2 1 354.498 3.026 20 0 FGADMP COC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502816 500126678 /nfs/dbraw/zinc/12/66/78/500126678.db2.gz DCDACEAQAVRVMN-RYQLBKOJSA-N 2 1 366.452 3.028 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502816 500126683 /nfs/dbraw/zinc/12/66/83/500126683.db2.gz DCDACEAQAVRVMN-RYQLBKOJSA-N 2 1 366.452 3.028 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502816 500126686 /nfs/dbraw/zinc/12/66/86/500126686.db2.gz DCDACEAQAVRVMN-RYQLBKOJSA-N 2 1 366.452 3.028 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502816 500126689 /nfs/dbraw/zinc/12/66/89/500126689.db2.gz DCDACEAQAVRVMN-RYQLBKOJSA-N 2 1 366.452 3.028 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000416824652 500130485 /nfs/dbraw/zinc/13/04/85/500130485.db2.gz ZUKISFMUHFRHSS-OALUTQOASA-N 2 1 366.465 3.035 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818348 500158600 /nfs/dbraw/zinc/15/86/00/500158600.db2.gz AGJGMYOGHLZYCJ-MRXNPFEDSA-N 2 1 353.938 3.417 20 0 FGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000421844925 500163290 /nfs/dbraw/zinc/16/32/90/500163290.db2.gz PCCPXPDLPFYFPH-DOPJRALCSA-N 2 1 352.906 3.377 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416971853 500171006 /nfs/dbraw/zinc/17/10/06/500171006.db2.gz HRMOBLZAADZXSU-WFXMLNOXSA-N 2 1 372.557 3.472 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000416974334 500172254 /nfs/dbraw/zinc/17/22/54/500172254.db2.gz WXYYOCJWDWMPBQ-HXUWFJFHSA-N 2 1 360.546 3.234 20 0 FGADMP CN(C)C(=O)c1ccccc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417796445 500174055 /nfs/dbraw/zinc/17/40/55/500174055.db2.gz PTEQLRSPUPJDIC-FQEVSTJZSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1ccccc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417796445 500174057 /nfs/dbraw/zinc/17/40/57/500174057.db2.gz PTEQLRSPUPJDIC-FQEVSTJZSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417796445 500174059 /nfs/dbraw/zinc/17/40/59/500174059.db2.gz PTEQLRSPUPJDIC-FQEVSTJZSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417796445 500174061 /nfs/dbraw/zinc/17/40/61/500174061.db2.gz PTEQLRSPUPJDIC-FQEVSTJZSA-N 2 1 365.521 3.342 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417005150 500182343 /nfs/dbraw/zinc/18/23/43/500182343.db2.gz DHCKBKOBNLKGKZ-HXUWFJFHSA-N 2 1 360.546 3.420 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])cc1 ZINC000417857276 500185385 /nfs/dbraw/zinc/18/53/85/500185385.db2.gz NUKWLFGBBFVQGJ-DOXZYTNZSA-N 2 1 355.486 3.011 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000417873848 500188938 /nfs/dbraw/zinc/18/89/38/500188938.db2.gz JJZYCIXVBUTIPH-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000430117679 500195529 /nfs/dbraw/zinc/19/55/29/500195529.db2.gz ZKKPCEVATSCENZ-NRFANRHFSA-N 2 1 371.569 3.466 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417920686 500198280 /nfs/dbraw/zinc/19/82/80/500198280.db2.gz QRAXMYNEWGRAIW-WOJBJXKFSA-N 2 1 360.546 3.276 20 0 FGADMP COCC[C@H](c1ccccc1)[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958034 500216893 /nfs/dbraw/zinc/21/68/93/500216893.db2.gz LGNUBGRHKVZNIH-PKTZIBPZSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@H](c1ccccc1)[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958034 500216895 /nfs/dbraw/zinc/21/68/95/500216895.db2.gz LGNUBGRHKVZNIH-PKTZIBPZSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958034 500216898 /nfs/dbraw/zinc/21/68/98/500216898.db2.gz LGNUBGRHKVZNIH-PKTZIBPZSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958034 500216901 /nfs/dbraw/zinc/21/69/01/500216901.db2.gz LGNUBGRHKVZNIH-PKTZIBPZSA-N 2 1 368.521 3.333 20 0 FGADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2ccc(F)cc21 ZINC000425981813 500220725 /nfs/dbraw/zinc/22/07/25/500220725.db2.gz SLDYYRZTYQHTLA-VXKWHMMOSA-N 2 1 354.469 3.382 20 0 FGADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2ccc(F)cc21 ZINC000425981813 500220726 /nfs/dbraw/zinc/22/07/26/500220726.db2.gz SLDYYRZTYQHTLA-VXKWHMMOSA-N 2 1 354.469 3.382 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418159855 500239454 /nfs/dbraw/zinc/23/94/54/500239454.db2.gz RKMRFLKFROZPMN-GOSISDBHSA-N 2 1 360.546 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@H]([NH2+]C)C1)c1ccc(Cl)cc1 ZINC000418174865 500242622 /nfs/dbraw/zinc/24/26/22/500242622.db2.gz FHIUSKUVSNDGET-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)c1ccc(Cl)cc1 ZINC000418192422 500246837 /nfs/dbraw/zinc/24/68/37/500246837.db2.gz YRBXTEAUXYKWML-FHLIZLRMSA-N 2 1 366.937 3.102 20 0 FGADMP O=C(NCCC[C@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418246032 500255187 /nfs/dbraw/zinc/25/51/87/500255187.db2.gz SVJYAZXJPZGMID-NHCUHLMSSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574370 500256592 /nfs/dbraw/zinc/25/65/92/500256592.db2.gz SFXSOJXBSSUBNP-DYVFJYSZSA-N 2 1 357.901 3.131 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574370 500256593 /nfs/dbraw/zinc/25/65/93/500256593.db2.gz SFXSOJXBSSUBNP-DYVFJYSZSA-N 2 1 357.901 3.131 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC000430606485 500261389 /nfs/dbraw/zinc/26/13/89/500261389.db2.gz VYRDHVFRYKJRTR-DYESRHJHSA-N 2 1 367.493 3.354 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615275 500262132 /nfs/dbraw/zinc/26/21/32/500262132.db2.gz AYSKEXVOSSVMEZ-HIFRSBDPSA-N 2 1 370.324 3.198 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430619669 500262951 /nfs/dbraw/zinc/26/29/51/500262951.db2.gz AHHGFZSACDTUTA-DYESRHJHSA-N 2 1 371.550 3.275 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418327849 500263224 /nfs/dbraw/zinc/26/32/24/500263224.db2.gz ZXMMQPTYBNFXFN-FQEVSTJZSA-N 2 1 372.557 3.202 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337985 500264970 /nfs/dbraw/zinc/26/49/70/500264970.db2.gz YQOWSZSZBOXFGQ-VDGAXYAQSA-N 2 1 360.546 3.324 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430642441 500265620 /nfs/dbraw/zinc/26/56/20/500265620.db2.gz KMFWWESXPSJEPK-UZLBHIALSA-N 2 1 357.523 3.015 20 0 FGADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418356148 500267511 /nfs/dbraw/zinc/26/75/11/500267511.db2.gz XLHQOSQMYAYQNF-KOUHRCEDSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418429868 500275425 /nfs/dbraw/zinc/27/54/25/500275425.db2.gz SUHUNQSBIUUVIT-HXUWFJFHSA-N 2 1 372.557 3.058 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418471569 500280557 /nfs/dbraw/zinc/28/05/57/500280557.db2.gz RRSXSVJQNRTSJW-UNMCSNQZSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000418485359 500282240 /nfs/dbraw/zinc/28/22/40/500282240.db2.gz HCNAWHGQFJRXFD-KRWDZBQOSA-N 2 1 368.525 3.416 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)c2)C[C@@H](C)O1 ZINC000430789674 500285307 /nfs/dbraw/zinc/28/53/07/500285307.db2.gz WGPREPPDZQWSJG-VSHGRSIOSA-N 2 1 371.525 3.155 20 0 FGADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000418553124 500290375 /nfs/dbraw/zinc/29/03/75/500290375.db2.gz MEUQPOJJCPNTQA-UHFFFAOYSA-N 2 1 370.541 3.087 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590901 500294495 /nfs/dbraw/zinc/29/44/95/500294495.db2.gz UGLYKWSCXFRQRQ-IEBWSBKVSA-N 2 1 370.541 3.086 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422769889 500295842 /nfs/dbraw/zinc/29/58/42/500295842.db2.gz VLWBBAVDWAZDPX-PBHICJAKSA-N 2 1 356.432 3.341 20 0 FGADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422779898 500296327 /nfs/dbraw/zinc/29/63/27/500296327.db2.gz JOTRDXPKMYSCIS-RJGXRXQPSA-N 2 1 371.569 3.309 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)c1 ZINC000422809644 500301448 /nfs/dbraw/zinc/30/14/48/500301448.db2.gz MKDCYMXEYMKKEK-IBGZPJMESA-N 3 1 367.541 3.056 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418664829 500304166 /nfs/dbraw/zinc/30/41/66/500304166.db2.gz BBWUCBQHJWJJFK-UYAOXDASSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418687591 500308078 /nfs/dbraw/zinc/30/80/78/500308078.db2.gz DNJBEGCUPJRDEN-HBFSDRIKSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875600 500308999 /nfs/dbraw/zinc/30/89/99/500308999.db2.gz FEIUNROMUVACSW-VQQMMKBISA-N 2 1 359.558 3.021 20 0 FGADMP CCCN(C(=O)N[C@@H](C)CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418694616 500309337 /nfs/dbraw/zinc/30/93/37/500309337.db2.gz WAOLXMUNMKOINO-AZUAARDMSA-N 2 1 360.546 3.200 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422913015 500315273 /nfs/dbraw/zinc/31/52/73/500315273.db2.gz OVRGYKGJWXMMFN-MSOLQXFVSA-N 3 1 350.576 3.038 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431004412 500321230 /nfs/dbraw/zinc/32/12/30/500321230.db2.gz QZUYTNAIVUSWOM-NHCUHLMSSA-N 2 1 372.557 3.060 20 0 FGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423093799 500341188 /nfs/dbraw/zinc/34/11/88/500341188.db2.gz IMGLVZOIEDPMIS-CKGODYTQSA-N 2 1 352.881 3.414 20 0 FGADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423128856 500346596 /nfs/dbraw/zinc/34/65/96/500346596.db2.gz QQJVIBXTIXFKGY-CEXWTWQISA-N 2 1 361.530 3.143 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141784 500347982 /nfs/dbraw/zinc/34/79/82/500347982.db2.gz RUKFZTVCNZDTKB-WZYRSQIMSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141784 500347984 /nfs/dbraw/zinc/34/79/84/500347984.db2.gz RUKFZTVCNZDTKB-WZYRSQIMSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141784 500347985 /nfs/dbraw/zinc/34/79/85/500347985.db2.gz RUKFZTVCNZDTKB-WZYRSQIMSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423169128 500350636 /nfs/dbraw/zinc/35/06/36/500350636.db2.gz ZGBLMFAGFIERFF-HFTRVMKXSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423175823 500351776 /nfs/dbraw/zinc/35/17/76/500351776.db2.gz FGJQQSJDYVVARO-KDOFPFPSSA-N 2 1 366.347 3.144 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1OC ZINC000423198871 500354193 /nfs/dbraw/zinc/35/41/93/500354193.db2.gz IJTXNWPAOCPCKE-INIZCTEOSA-N 2 1 350.503 3.423 20 0 FGADMP CC[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000423200799 500354971 /nfs/dbraw/zinc/35/49/71/500354971.db2.gz NHDDTMZWINISPV-GOSISDBHSA-N 2 1 361.530 3.246 20 0 FGADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423285839 500361707 /nfs/dbraw/zinc/36/17/07/500361707.db2.gz YUXMRPBMXAKTPI-YWZLYKJASA-N 2 1 350.466 3.301 20 0 FGADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423296473 500362769 /nfs/dbraw/zinc/36/27/69/500362769.db2.gz GZJCLBSGRLJZQE-BDAKNGLRSA-N 2 1 350.098 3.457 20 0 FGADMP C[C@H](C[NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423302937 500362812 /nfs/dbraw/zinc/36/28/12/500362812.db2.gz ICKKKJUKKJKERH-ACJLOTCBSA-N 2 1 366.914 3.017 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000423328626 500364568 /nfs/dbraw/zinc/36/45/68/500364568.db2.gz KYQNRRVDIAJLCM-UHFFFAOYSA-N 2 1 353.510 3.219 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423340688 500365647 /nfs/dbraw/zinc/36/56/47/500365647.db2.gz SZBFURXRSUNJMH-GWFKXHKXSA-N 2 1 374.525 3.242 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc(Br)cc1F ZINC000423370317 500368419 /nfs/dbraw/zinc/36/84/19/500368419.db2.gz FPHCYGZPVYTHOV-SNVBAGLBSA-N 2 1 350.235 3.437 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252686 500373819 /nfs/dbraw/zinc/37/38/19/500373819.db2.gz YCMLTPQQDZXMQL-QGZVFWFLSA-N 2 1 371.447 3.042 20 0 FGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252686 500373820 /nfs/dbraw/zinc/37/38/20/500373820.db2.gz YCMLTPQQDZXMQL-QGZVFWFLSA-N 2 1 371.447 3.042 20 0 FGADMP CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252686 500373823 /nfs/dbraw/zinc/37/38/23/500373823.db2.gz YCMLTPQQDZXMQL-QGZVFWFLSA-N 2 1 371.447 3.042 20 0 FGADMP C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445799 500375426 /nfs/dbraw/zinc/37/54/26/500375426.db2.gz YQSBCLNBLOEIEH-VGSWGCGISA-N 2 1 353.510 3.165 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275913 500376816 /nfs/dbraw/zinc/37/68/16/500376816.db2.gz VEEMTODHOQMPIP-QZTJIDSGSA-N 2 1 359.514 3.126 20 0 FGADMP CCc1ccccc1[C@H](N)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495353 500379098 /nfs/dbraw/zinc/37/90/98/500379098.db2.gz BWRQLUAMIUBLIX-SJBKTWHCSA-N 2 1 351.494 3.094 20 0 FGADMP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423499439 500379182 /nfs/dbraw/zinc/37/91/82/500379182.db2.gz CNCRBRGAXXRLPW-CJNGLKHVSA-N 2 1 361.486 3.295 20 0 FGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423519383 500381582 /nfs/dbraw/zinc/38/15/82/500381582.db2.gz PSDSQBNXWPKPNO-GZNCHQMQSA-N 2 1 357.542 3.323 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000431652189 500403490 /nfs/dbraw/zinc/40/34/90/500403490.db2.gz ASJXQRMDKKTTNW-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000431652189 500403491 /nfs/dbraw/zinc/40/34/91/500403491.db2.gz ASJXQRMDKKTTNW-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675273 500406668 /nfs/dbraw/zinc/40/66/68/500406668.db2.gz XIYJVPGGFVKKBZ-PZJWPPBQSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675273 500406669 /nfs/dbraw/zinc/40/66/69/500406669.db2.gz XIYJVPGGFVKKBZ-PZJWPPBQSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675273 500406670 /nfs/dbraw/zinc/40/66/70/500406670.db2.gz XIYJVPGGFVKKBZ-PZJWPPBQSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423899461 500417480 /nfs/dbraw/zinc/41/74/80/500417480.db2.gz JETMBHPCQBOLFD-SVFBPWRDSA-N 2 1 357.542 3.183 20 0 FGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC([NH3+])CC2)n1 ZINC000420145150 500422147 /nfs/dbraw/zinc/42/21/47/500422147.db2.gz OJBAANQFKCXVDY-UHFFFAOYSA-N 2 1 367.522 3.347 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)[nH+]1 ZINC000431787180 500425144 /nfs/dbraw/zinc/42/51/44/500425144.db2.gz VIYHXWKCKNLLSK-FQEVSTJZSA-N 2 1 366.509 3.168 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431852270 500434276 /nfs/dbraw/zinc/43/42/76/500434276.db2.gz VVDSOTOBIUUVCC-HMXCVIKNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852270 500434278 /nfs/dbraw/zinc/43/42/78/500434278.db2.gz VVDSOTOBIUUVCC-HMXCVIKNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852270 500434280 /nfs/dbraw/zinc/43/42/80/500434280.db2.gz VVDSOTOBIUUVCC-HMXCVIKNSA-N 2 1 357.542 3.420 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296759 500435739 /nfs/dbraw/zinc/43/57/39/500435739.db2.gz DTZDRWFBVBKCFO-AVRDEDQJSA-N 2 1 365.521 3.424 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420295733 500435896 /nfs/dbraw/zinc/43/58/96/500435896.db2.gz CNMXMLWSOYEVPM-XJKSGUPXSA-N 2 1 370.278 3.428 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420295731 500436146 /nfs/dbraw/zinc/43/61/46/500436146.db2.gz CNMXMLWSOYEVPM-CZUORRHYSA-N 2 1 370.278 3.428 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297894 500436563 /nfs/dbraw/zinc/43/65/63/500436563.db2.gz DUCKEQGCTSGLCD-QUCCMNQESA-N 2 1 368.477 3.346 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420305636 500438516 /nfs/dbraw/zinc/43/85/16/500438516.db2.gz GURLKGMUQNZFNK-DZGCQCFKSA-N 2 1 357.454 3.023 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420305636 500438519 /nfs/dbraw/zinc/43/85/19/500438519.db2.gz GURLKGMUQNZFNK-DZGCQCFKSA-N 2 1 357.454 3.023 20 0 FGADMP Cc1ncsc1C[N@H+](CCCOCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000420313257 500439818 /nfs/dbraw/zinc/43/98/18/500439818.db2.gz PLUMWLMSVPCTNF-IBGZPJMESA-N 2 1 359.539 3.470 20 0 FGADMP Cc1ncsc1C[N@@H+](CCCOCc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000420313257 500439821 /nfs/dbraw/zinc/43/98/21/500439821.db2.gz PLUMWLMSVPCTNF-IBGZPJMESA-N 2 1 359.539 3.470 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320316 500441002 /nfs/dbraw/zinc/44/10/02/500441002.db2.gz BGDSKCZZOTVWQK-HIFRSBDPSA-N 2 1 353.304 3.197 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320316 500441005 /nfs/dbraw/zinc/44/10/05/500441005.db2.gz BGDSKCZZOTVWQK-HIFRSBDPSA-N 2 1 353.304 3.197 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317655 500441181 /nfs/dbraw/zinc/44/11/81/500441181.db2.gz NPBXXBIWCZDQCS-QFBILLFUSA-N 2 1 365.481 3.011 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420328847 500442800 /nfs/dbraw/zinc/44/28/00/500442800.db2.gz NCJAZGRHXBJNBF-JKSUJKDBSA-N 2 1 360.889 3.254 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@H](C)c1ccc(F)cc1 ZINC000420333201 500443226 /nfs/dbraw/zinc/44/32/26/500443226.db2.gz SMLMEKPFDHFJTB-NEWSRXKRSA-N 2 1 361.505 3.057 20 0 FGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334884 500443728 /nfs/dbraw/zinc/44/37/28/500443728.db2.gz UNKZGKTVMZKSCA-KGLIPLIRSA-N 2 1 353.304 3.197 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341961 500444723 /nfs/dbraw/zinc/44/47/23/500444723.db2.gz PBTASQNWBADLIC-RDBSUJKOSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341961 500444725 /nfs/dbraw/zinc/44/47/25/500444725.db2.gz PBTASQNWBADLIC-RDBSUJKOSA-N 2 1 353.869 3.128 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000420355238 500447080 /nfs/dbraw/zinc/44/70/80/500447080.db2.gz CEESXCXMLJLBCS-KRWDZBQOSA-N 2 1 356.297 3.398 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000420370022 500449294 /nfs/dbraw/zinc/44/92/94/500449294.db2.gz JIUJJUHSBZKPEI-KRWDZBQOSA-N 2 1 362.537 3.008 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000420390926 500454028 /nfs/dbraw/zinc/45/40/28/500454028.db2.gz ZZKHHKBGAXLHEY-PXNSSMCTSA-N 2 1 359.445 3.199 20 0 FGADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)cs1 ZINC000424242880 500473749 /nfs/dbraw/zinc/47/37/49/500473749.db2.gz PAEKUMXDJJXVOJ-UHFFFAOYSA-N 2 1 358.511 3.069 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CC[NH2+]CC2 ZINC000424298233 500483050 /nfs/dbraw/zinc/48/30/50/500483050.db2.gz UEHCIJAUUGKISK-SFHVURJKSA-N 2 1 355.526 3.277 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297577 500483104 /nfs/dbraw/zinc/48/31/04/500483104.db2.gz SYROPUHKISWDQM-HZPDHXFCSA-N 2 1 363.933 3.323 20 0 FGADMP COc1ccc(C2([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420928276 500532267 /nfs/dbraw/zinc/53/22/67/500532267.db2.gz CNAPRWYWVINYMG-UHFFFAOYSA-N 2 1 352.478 3.306 20 0 FGADMP CN(C)c1cccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420932093 500534093 /nfs/dbraw/zinc/53/40/93/500534093.db2.gz HFBHXOMAOLCUCI-UHFFFAOYSA-N 2 1 353.510 3.217 20 0 FGADMP CN(C)c1cccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000420932093 500534095 /nfs/dbraw/zinc/53/40/95/500534095.db2.gz HFBHXOMAOLCUCI-UHFFFAOYSA-N 2 1 353.510 3.217 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953973 500539926 /nfs/dbraw/zinc/53/99/26/500539926.db2.gz UANOPDWOCXJEAM-WBVHZDCISA-N 2 1 371.447 3.070 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953973 500539930 /nfs/dbraw/zinc/53/99/30/500539930.db2.gz UANOPDWOCXJEAM-WBVHZDCISA-N 2 1 371.447 3.070 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000428690806 500544451 /nfs/dbraw/zinc/54/44/51/500544451.db2.gz LSJCOUKOOUOOAF-PZJWPPBQSA-N 2 1 374.573 3.489 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOCc3ccccc3)CC2)CC1 ZINC000420985173 500548732 /nfs/dbraw/zinc/54/87/32/500548732.db2.gz VSWVWFMGOWQYCT-UHFFFAOYSA-N 2 1 359.558 3.085 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCC4(CCCCC4)O3)CC2)CC1 ZINC000420985928 500549102 /nfs/dbraw/zinc/54/91/02/500549102.db2.gz XHFMYERNPVIBLD-OAQYLSRUSA-N 2 1 363.590 3.360 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000428800288 500559021 /nfs/dbraw/zinc/55/90/21/500559021.db2.gz LKYHWEZRRXLXGU-RTBURBONSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000432797039 500565504 /nfs/dbraw/zinc/56/55/04/500565504.db2.gz JUGMBACCJJKIKK-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000432797039 500565507 /nfs/dbraw/zinc/56/55/07/500565507.db2.gz JUGMBACCJJKIKK-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797039 500565508 /nfs/dbraw/zinc/56/55/08/500565508.db2.gz JUGMBACCJJKIKK-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797039 500565512 /nfs/dbraw/zinc/56/55/12/500565512.db2.gz JUGMBACCJJKIKK-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513858 500615291 /nfs/dbraw/zinc/61/52/91/500615291.db2.gz ZLRISHPPEOAFOT-DYESRHJHSA-N 2 1 351.494 3.189 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000433065287 500618053 /nfs/dbraw/zinc/61/80/53/500618053.db2.gz DPKPLWBURYROKN-FDFHNCONSA-N 2 1 365.521 3.259 20 0 FGADMP c1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)n2)ccc1C[NH+]1CCOCC1 ZINC000442750767 500619398 /nfs/dbraw/zinc/61/93/98/500619398.db2.gz PRHGKCBQSGMSSY-QRVBRYPASA-N 2 1 368.481 3.162 20 0 FGADMP c1cc(-c2noc([C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)n2)ccc1C[NH+]1CCOCC1 ZINC000442750768 500619534 /nfs/dbraw/zinc/61/95/34/500619534.db2.gz PRHGKCBQSGMSSY-QYZOEREBSA-N 2 1 368.481 3.162 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755537 500620612 /nfs/dbraw/zinc/62/06/12/500620612.db2.gz CPHTWBSFLWUQMD-GRYCIOLGSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755537 500620616 /nfs/dbraw/zinc/62/06/16/500620616.db2.gz CPHTWBSFLWUQMD-GRYCIOLGSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784384 500625235 /nfs/dbraw/zinc/62/52/35/500625235.db2.gz VUQAPCWPBHMUHL-NWDGAFQWSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784384 500625236 /nfs/dbraw/zinc/62/52/36/500625236.db2.gz VUQAPCWPBHMUHL-NWDGAFQWSA-N 2 1 350.260 3.273 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589077 500630795 /nfs/dbraw/zinc/63/07/95/500630795.db2.gz WWEWCFQJZGAWSL-YSFYHYPLSA-N 2 1 370.537 3.500 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597676 500631145 /nfs/dbraw/zinc/63/11/45/500631145.db2.gz TUQXBJWHEPMPBW-BRXKOZLESA-N 2 1 370.537 3.498 20 0 FGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871049 500637098 /nfs/dbraw/zinc/63/70/98/500637098.db2.gz AXDFUWZCVPEUCP-AWEZNQCLSA-N 2 1 352.592 3.426 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)c(F)c1 ZINC000442872222 500637251 /nfs/dbraw/zinc/63/72/51/500637251.db2.gz HXAINLBEHPIZDU-CYBMUJFWSA-N 2 1 372.326 3.265 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1(C)C ZINC000442876593 500637924 /nfs/dbraw/zinc/63/79/24/500637924.db2.gz RXZHQXUQQJVNTA-MRXNPFEDSA-N 2 1 353.963 3.493 20 0 FGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442879838 500638433 /nfs/dbraw/zinc/63/84/33/500638433.db2.gz WZLKGFQYPBLSOE-OAHLLOKOSA-N 2 1 353.938 3.415 20 0 FGADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442897292 500642996 /nfs/dbraw/zinc/64/29/96/500642996.db2.gz MAMZNFKKROQNHA-AUSIDOKSSA-N 2 1 367.537 3.032 20 0 FGADMP Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cs1 ZINC000443056524 500670663 /nfs/dbraw/zinc/67/06/63/500670663.db2.gz CUQIDPDSUUEGMN-MRXNPFEDSA-N 2 1 372.538 3.194 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000433322769 500672837 /nfs/dbraw/zinc/67/28/37/500672837.db2.gz ZAQGJEMMKKSMNZ-FQEVSTJZSA-N 2 1 359.514 3.363 20 0 FGADMP C[C@@H](c1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000433359882 500680507 /nfs/dbraw/zinc/68/05/07/500680507.db2.gz IUTQLEWMVACWGR-KRWDZBQOSA-N 2 1 367.493 3.394 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433574417 500715539 /nfs/dbraw/zinc/71/55/39/500715539.db2.gz IUYMFLZBSFYOAV-OAQYLSRUSA-N 2 1 370.541 3.099 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608406 500720867 /nfs/dbraw/zinc/72/08/67/500720867.db2.gz KDIDVRRNSBTLKE-OALUTQOASA-N 2 1 374.529 3.041 20 0 FGADMP C[C@@H]1C[C@H](C)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000443636333 500748141 /nfs/dbraw/zinc/74/81/41/500748141.db2.gz AYQCVKKONGTELB-RTBURBONSA-N 2 1 357.542 3.267 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000443639627 500748168 /nfs/dbraw/zinc/74/81/68/500748168.db2.gz GVEIIALLUFNWCR-LPHOPBHVSA-N 2 1 369.475 3.472 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000438186897 500751687 /nfs/dbraw/zinc/75/16/87/500751687.db2.gz GGZMOSGJOVMSEB-PIPMEXSNSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000438186897 500751690 /nfs/dbraw/zinc/75/16/90/500751690.db2.gz GGZMOSGJOVMSEB-PIPMEXSNSA-N 2 1 356.485 3.229 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186655 500751766 /nfs/dbraw/zinc/75/17/66/500751766.db2.gz HIORQGITQGQRBR-JTHBVZDNSA-N 2 1 368.521 3.318 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186655 500751771 /nfs/dbraw/zinc/75/17/71/500751771.db2.gz HIORQGITQGQRBR-JTHBVZDNSA-N 2 1 368.521 3.318 20 0 FGADMP Cc1ccc2cc(C[NH2+]C[C@]3(O)CC[N@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438195074 500753557 /nfs/dbraw/zinc/75/35/57/500753557.db2.gz ZAAPCCPAXZKGLQ-HSZRJFAPSA-N 2 1 361.489 3.270 20 0 FGADMP Cc1ccc2cc(C[NH2+]C[C@]3(O)CC[N@@H+](Cc4ccccc4)C3)ccc2n1 ZINC000438195074 500753562 /nfs/dbraw/zinc/75/35/62/500753562.db2.gz ZAAPCCPAXZKGLQ-HSZRJFAPSA-N 2 1 361.489 3.270 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C[C@H]1C ZINC000438328861 500770624 /nfs/dbraw/zinc/77/06/24/500770624.db2.gz UNDIWTDWVSRLQW-HOJAQTOUSA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[C@H]1C ZINC000438328861 500770627 /nfs/dbraw/zinc/77/06/27/500770627.db2.gz UNDIWTDWVSRLQW-HOJAQTOUSA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[C@H]1C ZINC000438328861 500770629 /nfs/dbraw/zinc/77/06/29/500770629.db2.gz UNDIWTDWVSRLQW-HOJAQTOUSA-N 2 1 364.578 3.298 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438570907 500803073 /nfs/dbraw/zinc/80/30/73/500803073.db2.gz YHROWLDODYYPCH-MOPGFXCFSA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438570907 500803077 /nfs/dbraw/zinc/80/30/77/500803077.db2.gz YHROWLDODYYPCH-MOPGFXCFSA-N 2 1 359.514 3.330 20 0 FGADMP COCCN1CCC[C@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438835615 500825380 /nfs/dbraw/zinc/82/53/80/500825380.db2.gz WUTSTEIPCXXERP-HRTMPFAESA-N 2 1 359.558 3.130 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000439141270 500863251 /nfs/dbraw/zinc/86/32/51/500863251.db2.gz MZKBKACGZSHWAY-IRXDYDNUSA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCC1 ZINC000444768523 500895917 /nfs/dbraw/zinc/89/59/17/500895917.db2.gz UFEVXWJYJLAKPM-UHFFFAOYSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037452 500907509 /nfs/dbraw/zinc/90/75/09/500907509.db2.gz NHONXSUFWXJKFH-GQIGUUNPSA-N 2 1 351.485 3.026 20 0 FGADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037452 500907512 /nfs/dbraw/zinc/90/75/12/500907512.db2.gz NHONXSUFWXJKFH-GQIGUUNPSA-N 2 1 351.485 3.026 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449047541 500910829 /nfs/dbraw/zinc/91/08/29/500910829.db2.gz QXDZAERUHHJIHD-MOPGFXCFSA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449047541 500910832 /nfs/dbraw/zinc/91/08/32/500910832.db2.gz QXDZAERUHHJIHD-MOPGFXCFSA-N 2 1 359.514 3.330 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449079497 500919734 /nfs/dbraw/zinc/91/97/34/500919734.db2.gz OVQCJBPXVPAEBG-INIZCTEOSA-N 2 1 355.448 3.099 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000449125122 500930898 /nfs/dbraw/zinc/93/08/98/500930898.db2.gz IIWOBCVRPUMFQH-LJQANCHMSA-N 2 1 361.917 3.030 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449169817 500939285 /nfs/dbraw/zinc/93/92/85/500939285.db2.gz PLTMEHGCUQUCIP-MISYRCLQSA-N 2 1 359.558 3.428 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)c2)cc1 ZINC000435370262 500961409 /nfs/dbraw/zinc/96/14/09/500961409.db2.gz IFMDPYOWOMVDJH-DOTOQJQBSA-N 2 1 353.466 3.117 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)c2C)cc1 ZINC000435380534 500963819 /nfs/dbraw/zinc/96/38/19/500963819.db2.gz OQCQSSHXCTYJNU-DNVCBOLYSA-N 2 1 356.514 3.116 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OCc1cccnc1 ZINC000435383338 500964187 /nfs/dbraw/zinc/96/41/87/500964187.db2.gz GQESNHIBCQHBKZ-UFYCRDLUSA-N 2 1 367.493 3.228 20 0 FGADMP [NH3+]C1CC[NH+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)CC1 ZINC000435381204 500964229 /nfs/dbraw/zinc/96/42/29/500964229.db2.gz VJDGKASFHPUJSR-ZDUSSCGKSA-N 2 1 356.310 3.482 20 0 FGADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000435431925 500974632 /nfs/dbraw/zinc/97/46/32/500974632.db2.gz KXRITQVENFSVPV-LJQANCHMSA-N 2 1 355.482 3.243 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115662 500976511 /nfs/dbraw/zinc/97/65/11/500976511.db2.gz BPQAJQFTNIWCFY-LMNJBCLMSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115662 500976513 /nfs/dbraw/zinc/97/65/13/500976513.db2.gz BPQAJQFTNIWCFY-LMNJBCLMSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115662 500976516 /nfs/dbraw/zinc/97/65/16/500976516.db2.gz BPQAJQFTNIWCFY-LMNJBCLMSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000449336021 500981385 /nfs/dbraw/zinc/98/13/85/500981385.db2.gz LNNYJAIDSCZYIP-SFHVURJKSA-N 2 1 366.553 3.484 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000441189358 501100751 /nfs/dbraw/zinc/10/07/51/501100751.db2.gz OAVHOXITDIURDO-BHIYHBOVSA-N 2 1 352.906 3.292 20 0 FGADMP CC[NH+](Cc1cc(C[N@H+](CC)CC(C)(C)O)ccc1F)CC(C)(C)O ZINC000450414812 501116104 /nfs/dbraw/zinc/11/61/04/501116104.db2.gz ZXPRVWGUJXWUKN-UHFFFAOYSA-N 2 1 354.510 3.011 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)CC(C)(C)O)c1)CC(C)(C)O ZINC000450414812 501116105 /nfs/dbraw/zinc/11/61/05/501116105.db2.gz ZXPRVWGUJXWUKN-UHFFFAOYSA-N 2 1 354.510 3.011 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)CC(C)(C)O)c1)CC(C)(C)O ZINC000450414812 501116106 /nfs/dbraw/zinc/11/61/06/501116106.db2.gz ZXPRVWGUJXWUKN-UHFFFAOYSA-N 2 1 354.510 3.011 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H](C(C)(C)C)CC3)cn2)CC1 ZINC000436402501 501120750 /nfs/dbraw/zinc/12/07/50/501120750.db2.gz XMAHHQUUAPQHDE-RBUKOAKNSA-N 2 1 359.562 3.313 20 0 FGADMP CC(C)[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000447102531 501205190 /nfs/dbraw/zinc/20/51/90/501205190.db2.gz SMPKSNPRIDUFCA-QGZVFWFLSA-N 2 1 351.560 3.296 20 0 FGADMP FC1(F)CC[C@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980830 501236519 /nfs/dbraw/zinc/23/65/19/501236519.db2.gz GSTODIWLSJWQMV-VQTJNVASSA-N 2 1 363.496 3.314 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453106003 501270241 /nfs/dbraw/zinc/27/02/41/501270241.db2.gz YCQXJUZBCREWQX-YTFSRNRJSA-N 2 1 369.553 3.278 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nccn3CC)CC2)cs1 ZINC000453107524 501270413 /nfs/dbraw/zinc/27/04/13/501270413.db2.gz IVHNEZTWALHJGN-OAHLLOKOSA-N 2 1 361.559 3.485 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107708 501271065 /nfs/dbraw/zinc/27/10/65/501271065.db2.gz JINYLDOHGIYXGT-RTWAWAEBSA-N 2 1 366.509 3.020 20 0 FGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453126522 501274829 /nfs/dbraw/zinc/27/48/29/501274829.db2.gz SQARMHWETBJXHQ-BDTNDASRSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453126522 501274831 /nfs/dbraw/zinc/27/48/31/501274831.db2.gz SQARMHWETBJXHQ-BDTNDASRSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453126522 501274833 /nfs/dbraw/zinc/27/48/33/501274833.db2.gz SQARMHWETBJXHQ-BDTNDASRSA-N 2 1 371.569 3.130 20 0 FGADMP CC[C@H](CC(F)F)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457670605 501283274 /nfs/dbraw/zinc/28/32/74/501283274.db2.gz NMORBYAUCRIERJ-BPQIPLTHSA-N 2 1 373.532 3.463 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453211799 501292046 /nfs/dbraw/zinc/29/20/46/501292046.db2.gz HAGAULINZIZQTI-SSGKUCQKSA-N 2 1 369.553 3.278 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453224791 501294500 /nfs/dbraw/zinc/29/45/00/501294500.db2.gz XASWYOPKMQIDLP-HBMCJLEFSA-N 2 1 369.553 3.326 20 0 FGADMP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530683 501314452 /nfs/dbraw/zinc/31/44/52/501314452.db2.gz IMMYWCSLOXIOED-IRLDBZIGSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530683 501314453 /nfs/dbraw/zinc/31/44/53/501314453.db2.gz IMMYWCSLOXIOED-IRLDBZIGSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530683 501314455 /nfs/dbraw/zinc/31/44/55/501314455.db2.gz IMMYWCSLOXIOED-IRLDBZIGSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530683 501314457 /nfs/dbraw/zinc/31/44/57/501314457.db2.gz IMMYWCSLOXIOED-IRLDBZIGSA-N 2 1 357.542 3.404 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000453414388 501326970 /nfs/dbraw/zinc/32/69/70/501326970.db2.gz YSIZBFRXURTXOM-LZJOCLMNSA-N 2 1 366.521 3.492 20 0 FGADMP C[C@H]1CCN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000455627119 501350351 /nfs/dbraw/zinc/35/03/51/501350351.db2.gz ZKOAKDIZNNUCPF-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455627119 501350353 /nfs/dbraw/zinc/35/03/53/501350353.db2.gz ZKOAKDIZNNUCPF-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455627119 501350356 /nfs/dbraw/zinc/35/03/56/501350356.db2.gz ZKOAKDIZNNUCPF-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157334 501381323 /nfs/dbraw/zinc/38/13/23/501381323.db2.gz UTYPTSMWCXETDG-FPOVZHCZSA-N 2 1 372.557 3.163 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000458291893 501413967 /nfs/dbraw/zinc/41/39/67/501413967.db2.gz STRGZZLGIGMFIY-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000458291893 501413968 /nfs/dbraw/zinc/41/39/68/501413968.db2.gz STRGZZLGIGMFIY-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455923571 501416733 /nfs/dbraw/zinc/41/67/33/501416733.db2.gz MNSSGFCIBQCWHP-JXFKEZNVSA-N 2 1 358.530 3.335 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000458438892 501444523 /nfs/dbraw/zinc/44/45/23/501444523.db2.gz ZUCFVVAMSPWXOO-IBGZPJMESA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458486394 501455484 /nfs/dbraw/zinc/45/54/84/501455484.db2.gz GPKCAXLTPUEFDT-ICSRJNTNSA-N 2 1 374.573 3.459 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000456300336 501492126 /nfs/dbraw/zinc/49/21/26/501492126.db2.gz GUIQCICXVXCTGO-LJQANCHMSA-N 2 1 357.542 3.087 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452454621 501504061 /nfs/dbraw/zinc/50/40/61/501504061.db2.gz VELJJDZDAIOMLH-JOCHJYFZSA-N 2 1 371.569 3.476 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358537 501522469 /nfs/dbraw/zinc/52/24/69/501522469.db2.gz GRXINQMSPZZSHK-PZJWPPBQSA-N 2 1 372.557 3.387 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000458793099 501532925 /nfs/dbraw/zinc/53/29/25/501532925.db2.gz MCMGOMMOSPSQLA-NRFANRHFSA-N 2 1 372.557 3.193 20 0 FGADMP CN(C(=O)NCCCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458860448 501547195 /nfs/dbraw/zinc/54/71/95/501547195.db2.gz VRMYRYJEEOJVSG-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000458936316 501562376 /nfs/dbraw/zinc/56/23/76/501562376.db2.gz NDYSQKOOBDJDTI-OALUTQOASA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454527931 501570156 /nfs/dbraw/zinc/57/01/56/501570156.db2.gz VVMZEVFFWBSSEI-SFHVURJKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000454572572 501580901 /nfs/dbraw/zinc/58/09/01/501580901.db2.gz HNGXUSMHWBAPTE-INIZCTEOSA-N 2 1 355.486 3.107 20 0 FGADMP CC[NH+](CC)CCOC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000459350536 501637348 /nfs/dbraw/zinc/63/73/48/501637348.db2.gz FWZCWLRRYXJUPQ-OAQYLSRUSA-N 2 1 359.558 3.084 20 0 FGADMP CC[NH+](CC)CCOC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000459350536 501637351 /nfs/dbraw/zinc/63/73/51/501637351.db2.gz FWZCWLRRYXJUPQ-OAQYLSRUSA-N 2 1 359.558 3.084 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CCOCC4CCCC4)CC3)C2)cc1 ZINC000459472540 501659424 /nfs/dbraw/zinc/65/94/24/501659424.db2.gz VVUHQAAIMJWLHV-QHCPKHFHSA-N 2 1 371.569 3.085 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCOCC4CCCC4)CC3)C2)cc1 ZINC000459472540 501659426 /nfs/dbraw/zinc/65/94/26/501659426.db2.gz VVUHQAAIMJWLHV-QHCPKHFHSA-N 2 1 371.569 3.085 20 0 FGADMP c1ncn(CC[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000459529632 501670563 /nfs/dbraw/zinc/67/05/63/501670563.db2.gz SBGTVCFPTZSLFJ-JOCHJYFZSA-N 2 1 367.541 3.435 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459728027 501705394 /nfs/dbraw/zinc/70/53/94/501705394.db2.gz CKTZBTJRBPMTHJ-DLBZAZTESA-N 2 1 365.949 3.399 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764052 501710530 /nfs/dbraw/zinc/71/05/30/501710530.db2.gz WNIQZMUJYBRLEN-NYVOZVTQSA-N 2 1 368.521 3.271 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000459796037 501715458 /nfs/dbraw/zinc/71/54/58/501715458.db2.gz VYQQLQRFMIKPLA-CYBMUJFWSA-N 2 1 358.267 3.113 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c2C)cc1 ZINC000459800681 501715902 /nfs/dbraw/zinc/71/59/02/501715902.db2.gz ZXODGXLDRKZLIM-LJQANCHMSA-N 2 1 370.541 3.378 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000470663524 501758070 /nfs/dbraw/zinc/75/80/70/501758070.db2.gz PSVZSEVGIHISJQ-LJQANCHMSA-N 2 1 363.521 3.228 20 0 FGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467305784 501766909 /nfs/dbraw/zinc/76/69/09/501766909.db2.gz MYJXSRZJCNERMG-NRFANRHFSA-N 2 1 370.468 3.444 20 0 FGADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000460278962 501778625 /nfs/dbraw/zinc/77/86/25/501778625.db2.gz DIQOETUVZOBUHM-SFHVURJKSA-N 2 1 357.542 3.062 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000474314815 501787825 /nfs/dbraw/zinc/78/78/25/501787825.db2.gz UALIEWZBYCHESF-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000474314815 501787831 /nfs/dbraw/zinc/78/78/31/501787831.db2.gz UALIEWZBYCHESF-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP Cc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382868 501809787 /nfs/dbraw/zinc/80/97/87/501809787.db2.gz VJPKKQPMZDOYGX-NQIIRXRSSA-N 2 1 353.510 3.407 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485417642 501815074 /nfs/dbraw/zinc/81/50/74/501815074.db2.gz WZKAOBYRWQLWRR-XQBPLPMBSA-N 2 1 365.521 3.192 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485417642 501815078 /nfs/dbraw/zinc/81/50/78/501815078.db2.gz WZKAOBYRWQLWRR-XQBPLPMBSA-N 2 1 365.521 3.192 20 0 FGADMP CC(C)COC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485464836 501828537 /nfs/dbraw/zinc/82/85/37/501828537.db2.gz IZAHFUIWPRBPMB-NRFANRHFSA-N 2 1 360.542 3.008 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000460508489 501844049 /nfs/dbraw/zinc/84/40/49/501844049.db2.gz FKSJTHVHWYUDOU-FQEVSTJZSA-N 2 1 366.594 3.262 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520465 501847655 /nfs/dbraw/zinc/84/76/55/501847655.db2.gz ISDHUACJDLUNMT-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520465 501847658 /nfs/dbraw/zinc/84/76/58/501847658.db2.gz ISDHUACJDLUNMT-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520465 501847660 /nfs/dbraw/zinc/84/76/60/501847660.db2.gz ISDHUACJDLUNMT-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042037 501863747 /nfs/dbraw/zinc/86/37/47/501863747.db2.gz PJQLHGFVYKUPBO-AZUAARDMSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042037 501863752 /nfs/dbraw/zinc/86/37/52/501863752.db2.gz PJQLHGFVYKUPBO-AZUAARDMSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042037 501863757 /nfs/dbraw/zinc/86/37/57/501863757.db2.gz PJQLHGFVYKUPBO-AZUAARDMSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042037 501863762 /nfs/dbraw/zinc/86/37/62/501863762.db2.gz PJQLHGFVYKUPBO-AZUAARDMSA-N 2 1 362.558 3.388 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959454 501869961 /nfs/dbraw/zinc/86/99/61/501869961.db2.gz IJWCLMSWWWSGOC-HNNXBMFYSA-N 2 1 367.896 3.471 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959454 501869968 /nfs/dbraw/zinc/86/99/68/501869968.db2.gz IJWCLMSWWWSGOC-HNNXBMFYSA-N 2 1 367.896 3.471 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959454 501869975 /nfs/dbraw/zinc/86/99/75/501869975.db2.gz IJWCLMSWWWSGOC-HNNXBMFYSA-N 2 1 367.896 3.471 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647451 501885308 /nfs/dbraw/zinc/88/53/08/501885308.db2.gz HULRIERMGNHXIF-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647451 501885312 /nfs/dbraw/zinc/88/53/12/501885312.db2.gz HULRIERMGNHXIF-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647451 501885316 /nfs/dbraw/zinc/88/53/16/501885316.db2.gz HULRIERMGNHXIF-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CC[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000485666025 501893718 /nfs/dbraw/zinc/89/37/18/501893718.db2.gz NMNVOAZRLZSGGD-NRFANRHFSA-N 2 1 365.521 3.315 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000464092331 501897653 /nfs/dbraw/zinc/89/76/53/501897653.db2.gz BAXOIDYZWHLCPK-VQTJNVASSA-N 2 1 357.542 3.101 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474708479 501928234 /nfs/dbraw/zinc/92/82/34/501928234.db2.gz LNQKXKORLHODNE-HLLBOEOZSA-N 2 1 351.922 3.009 20 0 FGADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468021598 501932708 /nfs/dbraw/zinc/93/27/08/501932708.db2.gz KHKSAFBAEVWUFS-YZGWKJHDSA-N 2 1 372.557 3.288 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@H](C)C1 ZINC000474722261 501933109 /nfs/dbraw/zinc/93/31/09/501933109.db2.gz ZFQXVKQPBYIKRV-GUFYVYCGSA-N 2 1 368.562 3.225 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000482020212 501948592 /nfs/dbraw/zinc/94/85/92/501948592.db2.gz XSNSBVVCEGXMFF-LAUBAEHRSA-N 2 1 368.525 3.236 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000482020212 501948598 /nfs/dbraw/zinc/94/85/98/501948598.db2.gz XSNSBVVCEGXMFF-LAUBAEHRSA-N 2 1 368.525 3.236 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327708 501956050 /nfs/dbraw/zinc/95/60/50/501956050.db2.gz FJLWVSDBGJMJJI-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464327708 501956053 /nfs/dbraw/zinc/95/60/53/501956053.db2.gz FJLWVSDBGJMJJI-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464327708 501956057 /nfs/dbraw/zinc/95/60/57/501956057.db2.gz FJLWVSDBGJMJJI-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCCC[NH+]1CCCC1 ZINC000468136615 501969537 /nfs/dbraw/zinc/96/95/37/501969537.db2.gz QJCIKNIZFRMASC-UHFFFAOYSA-N 2 1 365.521 3.291 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468140865 501970962 /nfs/dbraw/zinc/97/09/62/501970962.db2.gz VXLAPDGFLXCHSW-QFIPXVFZSA-N 2 1 363.505 3.173 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000468140865 501970966 /nfs/dbraw/zinc/97/09/66/501970966.db2.gz VXLAPDGFLXCHSW-QFIPXVFZSA-N 2 1 363.505 3.173 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000482110108 501977736 /nfs/dbraw/zinc/97/77/36/501977736.db2.gz NCLPMRQBWCHDFY-HNNXBMFYSA-N 2 1 350.260 3.458 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000482135030 501985830 /nfs/dbraw/zinc/98/58/30/501985830.db2.gz HTMLVWUKIFDSHG-KPFFTGBYSA-N 2 1 363.521 3.321 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000482146946 501990122 /nfs/dbraw/zinc/99/01/22/501990122.db2.gz QJYPHNDMFWYOME-MSOLQXFVSA-N 2 1 361.530 3.432 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000471379418 502004268 /nfs/dbraw/zinc/00/42/68/502004268.db2.gz IEFYMDNRBNUUJM-JOCHJYFZSA-N 2 1 365.521 3.162 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000471491378 502044367 /nfs/dbraw/zinc/04/43/67/502044367.db2.gz JGZCXDFNWNAURV-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473523 502070429 /nfs/dbraw/zinc/07/04/29/502070429.db2.gz XWJGXSZJSHFWFS-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473523 502070433 /nfs/dbraw/zinc/07/04/33/502070433.db2.gz XWJGXSZJSHFWFS-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000468473523 502070437 /nfs/dbraw/zinc/07/04/37/502070437.db2.gz XWJGXSZJSHFWFS-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000468473523 502070441 /nfs/dbraw/zinc/07/04/41/502070441.db2.gz XWJGXSZJSHFWFS-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP CCCCCOc1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000482452199 502072096 /nfs/dbraw/zinc/07/20/96/502072096.db2.gz KCXKRZGUNLPOJG-SFHVURJKSA-N 2 1 361.530 3.070 20 0 FGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000464778190 502091615 /nfs/dbraw/zinc/09/16/15/502091615.db2.gz RRTITAWTJCUXPX-UEXGIBASSA-N 2 1 359.558 3.367 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825199 502107868 /nfs/dbraw/zinc/10/78/68/502107868.db2.gz CFMWQLVOADXIJN-PZJWPPBQSA-N 2 1 374.573 3.347 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636766 502135035 /nfs/dbraw/zinc/13/50/35/502135035.db2.gz MNXQVNFCROUFEQ-SIKLNZKXSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636766 502135037 /nfs/dbraw/zinc/13/50/37/502135037.db2.gz MNXQVNFCROUFEQ-SIKLNZKXSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636766 502135041 /nfs/dbraw/zinc/13/50/41/502135041.db2.gz MNXQVNFCROUFEQ-SIKLNZKXSA-N 2 1 373.585 3.376 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000464892921 502138696 /nfs/dbraw/zinc/13/86/96/502138696.db2.gz YQIZWWDXDYRJKO-UXHICEINSA-N 2 1 363.590 3.469 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468676157 502143161 /nfs/dbraw/zinc/14/31/61/502143161.db2.gz SDRVGQXZNXIUDG-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000461633007 502158729 /nfs/dbraw/zinc/15/87/29/502158729.db2.gz RNNLTAMCXORISJ-LJQANCHMSA-N 2 1 374.573 3.067 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468749592 502169081 /nfs/dbraw/zinc/16/90/81/502169081.db2.gz NNUKJOXJVPCLQM-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721041 502178941 /nfs/dbraw/zinc/17/89/41/502178941.db2.gz FYNLHRQIMCMOOM-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721041 502178946 /nfs/dbraw/zinc/17/89/46/502178946.db2.gz FYNLHRQIMCMOOM-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721041 502178951 /nfs/dbraw/zinc/17/89/51/502178951.db2.gz FYNLHRQIMCMOOM-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000479280022 502213178 /nfs/dbraw/zinc/21/31/78/502213178.db2.gz JBOCCYWFTXSYID-XLAORIBOSA-N 2 1 364.534 3.271 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)c1 ZINC000482920426 502217955 /nfs/dbraw/zinc/21/79/55/502217955.db2.gz METZOUYVORFPST-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000468900166 502222763 /nfs/dbraw/zinc/22/27/63/502222763.db2.gz KRAOFHHSLBIEJE-IBGZPJMESA-N 2 1 363.933 3.153 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000479353431 502232560 /nfs/dbraw/zinc/23/25/60/502232560.db2.gz TZTVYCXLMVHTGC-VSZNYVQBSA-N 2 1 364.534 3.128 20 0 FGADMP CC[C@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1 ZINC000472126596 502241810 /nfs/dbraw/zinc/24/18/10/502241810.db2.gz RPFCRNLNUIYIRD-ZWKOTPCHSA-N 2 1 371.525 3.305 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150684 502249168 /nfs/dbraw/zinc/24/91/68/502249168.db2.gz FEHBUZOGQPTRJF-FSSWDIPSSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000472150684 502249173 /nfs/dbraw/zinc/24/91/73/502249173.db2.gz FEHBUZOGQPTRJF-FSSWDIPSSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000472150684 502249177 /nfs/dbraw/zinc/24/91/77/502249177.db2.gz FEHBUZOGQPTRJF-FSSWDIPSSA-N 2 1 360.542 3.149 20 0 FGADMP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461977288 502260450 /nfs/dbraw/zinc/26/04/50/502260450.db2.gz MXBLHVVQNARPRW-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269555 502292212 /nfs/dbraw/zinc/29/22/12/502292212.db2.gz WPRLMAANUWHMCA-YLJYHZDGSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269555 502292218 /nfs/dbraw/zinc/29/22/18/502292218.db2.gz WPRLMAANUWHMCA-YLJYHZDGSA-N 2 1 361.530 3.009 20 0 FGADMP CCCN(CC[NH+](CC)CC)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000462071980 502295243 /nfs/dbraw/zinc/29/52/43/502295243.db2.gz GUGFXFLQXHOSTA-UHFFFAOYSA-N 2 1 352.592 3.463 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544392 502300395 /nfs/dbraw/zinc/30/03/95/502300395.db2.gz OKWWFJXCNKSNLT-AQNXPRMDSA-N 2 1 364.578 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312680 502310912 /nfs/dbraw/zinc/31/09/12/502310912.db2.gz JUFTWIQVDVZEBD-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312680 502310917 /nfs/dbraw/zinc/31/09/17/502310917.db2.gz JUFTWIQVDVZEBD-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000472312680 502310922 /nfs/dbraw/zinc/31/09/22/502310922.db2.gz JUFTWIQVDVZEBD-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154843 502317135 /nfs/dbraw/zinc/31/71/35/502317135.db2.gz IYKHQLAQTMXQFV-KRWDZBQOSA-N 2 1 351.922 3.137 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000483316479 502348233 /nfs/dbraw/zinc/34/82/33/502348233.db2.gz UGZYWQODXMPKOQ-UHFFFAOYSA-N 2 1 369.553 3.294 20 0 FGADMP COc1cc(OC)cc(OCCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000472435529 502350557 /nfs/dbraw/zinc/35/05/57/502350557.db2.gz SQJIOXMSHYDBEN-QGZVFWFLSA-N 2 1 350.503 3.279 20 0 FGADMP COc1cc(OC)cc(OCCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000472435529 502350560 /nfs/dbraw/zinc/35/05/60/502350560.db2.gz SQJIOXMSHYDBEN-QGZVFWFLSA-N 2 1 350.503 3.279 20 0 FGADMP COc1cc(OC)cc(OCCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000472435529 502350562 /nfs/dbraw/zinc/35/05/62/502350562.db2.gz SQJIOXMSHYDBEN-QGZVFWFLSA-N 2 1 350.503 3.279 20 0 FGADMP Cc1c([C@@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000469254792 502351261 /nfs/dbraw/zinc/35/12/61/502351261.db2.gz XDVPHPDLJAUJGJ-UTKZUKDTSA-N 2 1 356.514 3.060 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000469254792 502351267 /nfs/dbraw/zinc/35/12/67/502351267.db2.gz XDVPHPDLJAUJGJ-UTKZUKDTSA-N 2 1 356.514 3.060 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465747429 502369199 /nfs/dbraw/zinc/36/91/99/502369199.db2.gz FNMFPTHAPVCNMN-OTWHNJEPSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465747429 502369200 /nfs/dbraw/zinc/36/92/00/502369200.db2.gz FNMFPTHAPVCNMN-OTWHNJEPSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465747429 502369201 /nfs/dbraw/zinc/36/92/01/502369201.db2.gz FNMFPTHAPVCNMN-OTWHNJEPSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000487142477 502371182 /nfs/dbraw/zinc/37/11/82/502371182.db2.gz USGUHDGOTZLUBA-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1)C(C)C ZINC000465837350 502398860 /nfs/dbraw/zinc/39/88/60/502398860.db2.gz OHPWWIQYAHWODI-SJLPKXTDSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)C ZINC000465837350 502398866 /nfs/dbraw/zinc/39/88/66/502398866.db2.gz OHPWWIQYAHWODI-SJLPKXTDSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000465837350 502398871 /nfs/dbraw/zinc/39/88/71/502398871.db2.gz OHPWWIQYAHWODI-SJLPKXTDSA-N 2 1 366.575 3.161 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1)C(C)C ZINC000465837348 502398937 /nfs/dbraw/zinc/39/89/37/502398937.db2.gz OHPWWIQYAHWODI-FUHWJXTLSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)C ZINC000465837348 502398942 /nfs/dbraw/zinc/39/89/42/502398942.db2.gz OHPWWIQYAHWODI-FUHWJXTLSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000465837348 502398945 /nfs/dbraw/zinc/39/89/45/502398945.db2.gz OHPWWIQYAHWODI-FUHWJXTLSA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000476190481 502408823 /nfs/dbraw/zinc/40/88/23/502408823.db2.gz MBIDMCYSDCHJBN-IRXDYDNUSA-N 2 1 358.530 3.019 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000465878344 502411313 /nfs/dbraw/zinc/41/13/13/502411313.db2.gz SFGZNPMHBYGXHD-WOJBJXKFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c2nccn21 ZINC000582589097 506312265 /nfs/dbraw/zinc/31/22/65/506312265.db2.gz DYJYCHURHXNAQZ-PLMTUMEDSA-N 2 1 367.497 3.243 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690845 506312400 /nfs/dbraw/zinc/31/24/00/506312400.db2.gz JPPOZVPIAJDHQV-FCHUYYIVSA-N 2 1 356.485 3.326 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690845 506312405 /nfs/dbraw/zinc/31/24/05/506312405.db2.gz JPPOZVPIAJDHQV-FCHUYYIVSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690845 506312412 /nfs/dbraw/zinc/31/24/12/506312412.db2.gz JPPOZVPIAJDHQV-FCHUYYIVSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000588690845 506312415 /nfs/dbraw/zinc/31/24/15/506312415.db2.gz JPPOZVPIAJDHQV-FCHUYYIVSA-N 2 1 356.485 3.326 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC[N@H+]1C ZINC000487418107 502438619 /nfs/dbraw/zinc/43/86/19/502438619.db2.gz WXIJIRIKVSSFKP-MHJFOBGBSA-N 2 1 364.578 3.011 20 0 FGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600118 502440377 /nfs/dbraw/zinc/44/03/77/502440377.db2.gz RIGDXDCBYZXZKF-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466033973 502460663 /nfs/dbraw/zinc/46/06/63/502460663.db2.gz DPMZHCZMIKTJNN-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483690442 502464224 /nfs/dbraw/zinc/46/42/24/502464224.db2.gz GQHAJZIVTXAGBQ-WCIQWLHISA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483690442 502464228 /nfs/dbraw/zinc/46/42/28/502464228.db2.gz GQHAJZIVTXAGBQ-WCIQWLHISA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483690442 502464230 /nfs/dbraw/zinc/46/42/30/502464230.db2.gz GQHAJZIVTXAGBQ-WCIQWLHISA-N 2 1 366.594 3.259 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000483704482 502468721 /nfs/dbraw/zinc/46/87/21/502468721.db2.gz DNLBNAXBQVNJFL-OAQYLSRUSA-N 2 1 369.553 3.300 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000483704482 502468725 /nfs/dbraw/zinc/46/87/25/502468725.db2.gz DNLBNAXBQVNJFL-OAQYLSRUSA-N 2 1 369.553 3.300 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000483704482 502468732 /nfs/dbraw/zinc/46/87/32/502468732.db2.gz DNLBNAXBQVNJFL-OAQYLSRUSA-N 2 1 369.553 3.300 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000462524706 502474488 /nfs/dbraw/zinc/47/44/88/502474488.db2.gz ADWDSVFBLNHGRT-RTBURBONSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000462524706 502474494 /nfs/dbraw/zinc/47/44/94/502474494.db2.gz ADWDSVFBLNHGRT-RTBURBONSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462524706 502474497 /nfs/dbraw/zinc/47/44/97/502474497.db2.gz ADWDSVFBLNHGRT-RTBURBONSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462535744 502479188 /nfs/dbraw/zinc/47/91/88/502479188.db2.gz QBAVOTFOAOOQEH-QRVBRYPASA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462535744 502479194 /nfs/dbraw/zinc/47/91/94/502479194.db2.gz QBAVOTFOAOOQEH-QRVBRYPASA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462535744 502479198 /nfs/dbraw/zinc/47/91/98/502479198.db2.gz QBAVOTFOAOOQEH-QRVBRYPASA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000483744857 502481869 /nfs/dbraw/zinc/48/18/69/502481869.db2.gz KPYUCHXNEAXQHG-YLJYHZDGSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000483744857 502481876 /nfs/dbraw/zinc/48/18/76/502481876.db2.gz KPYUCHXNEAXQHG-YLJYHZDGSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000483744857 502481882 /nfs/dbraw/zinc/48/18/82/502481882.db2.gz KPYUCHXNEAXQHG-YLJYHZDGSA-N 2 1 360.546 3.153 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786040 502492399 /nfs/dbraw/zinc/49/23/99/502492399.db2.gz SWXDJBCOYWKQES-DYXWJJEUSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786040 502492401 /nfs/dbraw/zinc/49/24/01/502492401.db2.gz SWXDJBCOYWKQES-DYXWJJEUSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786040 502492406 /nfs/dbraw/zinc/49/24/06/502492406.db2.gz SWXDJBCOYWKQES-DYXWJJEUSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473020428 502502015 /nfs/dbraw/zinc/50/20/15/502502015.db2.gz JTQQCNPYDCATMI-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000480261367 502515778 /nfs/dbraw/zinc/51/57/78/502515778.db2.gz IYLWSXDNWFITBK-NXLVEIQXSA-N 2 1 373.585 3.374 20 0 FGADMP CC(C)CN(C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000469767864 502537881 /nfs/dbraw/zinc/53/78/81/502537881.db2.gz ZZZKRKPSKGPTNT-RTBURBONSA-N 2 1 371.569 3.380 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)[C@@H](C)C1 ZINC000469771020 502539135 /nfs/dbraw/zinc/53/91/35/502539135.db2.gz XNCDKLSBHOOFHM-NSHGMRRFSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)[C@@H](C)C1 ZINC000469771020 502539140 /nfs/dbraw/zinc/53/91/40/502539140.db2.gz XNCDKLSBHOOFHM-NSHGMRRFSA-N 2 1 361.530 3.049 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462713234 502545128 /nfs/dbraw/zinc/54/51/28/502545128.db2.gz ZPHGNEBLGXMMNY-WOJBJXKFSA-N 2 1 366.594 3.260 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)[NH+](C)C)cc1 ZINC000476631419 502545497 /nfs/dbraw/zinc/54/54/97/502545497.db2.gz RLCPNFNSJPVJNH-UXHICEINSA-N 2 1 360.546 3.025 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000466358396 502546445 /nfs/dbraw/zinc/54/64/45/502546445.db2.gz BRICLKAIVOZPDJ-KAOXLYBCSA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)C2)cc1 ZINC000466358396 502546449 /nfs/dbraw/zinc/54/64/49/502546449.db2.gz BRICLKAIVOZPDJ-KAOXLYBCSA-N 2 1 372.553 3.462 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462750437 502557563 /nfs/dbraw/zinc/55/75/63/502557563.db2.gz OIOAYNMNNSVEPK-OAQYLSRUSA-N 2 1 374.573 3.272 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000473290382 502560074 /nfs/dbraw/zinc/56/00/74/502560074.db2.gz GQIGZFYWVLDYKK-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000473290382 502560080 /nfs/dbraw/zinc/56/00/80/502560080.db2.gz GQIGZFYWVLDYKK-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000473290382 502560084 /nfs/dbraw/zinc/56/00/84/502560084.db2.gz GQIGZFYWVLDYKK-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)CC(C)(C)C[NH3+] ZINC000469856807 502570684 /nfs/dbraw/zinc/57/06/84/502570684.db2.gz VXXHOZTYBFPMLQ-UHFFFAOYSA-N 2 1 351.292 3.052 20 0 FGADMP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)CC(C)(C)C[NH3+] ZINC000469856807 502570686 /nfs/dbraw/zinc/57/06/86/502570686.db2.gz VXXHOZTYBFPMLQ-UHFFFAOYSA-N 2 1 351.292 3.052 20 0 FGADMP COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000484148584 502584041 /nfs/dbraw/zinc/58/40/41/502584041.db2.gz USTDFWCCOAVALF-UEVCKROQSA-N 2 1 366.505 3.155 20 0 FGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000484148280 502584443 /nfs/dbraw/zinc/58/44/43/502584443.db2.gz SBWMYQDKOBDPJJ-CUWPLCDZSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000462860398 502602571 /nfs/dbraw/zinc/60/25/71/502602571.db2.gz FZORVWXDRFGWQN-LEOXJPRUSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462860398 502602574 /nfs/dbraw/zinc/60/25/74/502602574.db2.gz FZORVWXDRFGWQN-LEOXJPRUSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462860398 502602576 /nfs/dbraw/zinc/60/25/76/502602576.db2.gz FZORVWXDRFGWQN-LEOXJPRUSA-N 2 1 365.521 3.186 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469968197 502612518 /nfs/dbraw/zinc/61/25/18/502612518.db2.gz YAGKEKDQACLYTM-LJQANCHMSA-N 2 1 362.514 3.264 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462886189 502614175 /nfs/dbraw/zinc/61/41/75/502614175.db2.gz XEMLAUSWMJWRKG-FQEVSTJZSA-N 2 1 365.477 3.162 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654476 502633932 /nfs/dbraw/zinc/63/39/32/502633932.db2.gz SUDDGDKSFCAAGB-HJNYFJLDSA-N 2 1 359.558 3.158 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000473574826 502642013 /nfs/dbraw/zinc/64/20/13/502642013.db2.gz FNPRNPHXVNZIBM-SZPZYZBQSA-N 2 1 371.569 3.479 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480689133 502644148 /nfs/dbraw/zinc/64/41/48/502644148.db2.gz VXBGZVNFYLRIJU-NQIIRXRSSA-N 2 1 356.514 3.023 20 0 FGADMP CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1(C)C ZINC000463035504 502669280 /nfs/dbraw/zinc/66/92/80/502669280.db2.gz QRUKPEUTWWXQNY-RTWAWAEBSA-N 2 1 359.558 3.116 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]3C[NH+](C)C)c2c1C ZINC000477125062 502685415 /nfs/dbraw/zinc/68/54/15/502685415.db2.gz WGIPUILTWBPUHI-INIZCTEOSA-N 2 1 373.570 3.434 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000477223689 502712096 /nfs/dbraw/zinc/71/20/96/502712096.db2.gz QMKBGRCXRMWUQP-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@@H](C)C1 ZINC000470249528 502716956 /nfs/dbraw/zinc/71/69/56/502716956.db2.gz XYLDJNLMLXCJOL-ZVZYQTTQSA-N 2 1 374.447 3.056 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+]([C@@H]4C[C@H]4c4ccccc4)CC3)C2)cc1 ZINC000463215178 502723033 /nfs/dbraw/zinc/72/30/33/502723033.db2.gz NXNTYIPSBZSMEI-KMDXXIMOSA-N 2 1 361.533 3.435 20 0 FGADMP Clc1ccc(C[NH+]2CCC(Nc3c[nH+]ccc3-n3ccnn3)CC2)cc1 ZINC000463251048 502736212 /nfs/dbraw/zinc/73/62/12/502736212.db2.gz SDCUNKUVOIMDLK-UHFFFAOYSA-N 2 1 368.872 3.392 20 0 FGADMP Cc1cc([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@@H]2c2cc(C)no2)on1 ZINC000488587856 502759556 /nfs/dbraw/zinc/75/95/56/502759556.db2.gz RAQSZSXQISAQML-QZTJIDSGSA-N 2 1 374.485 3.270 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474000717 502776296 /nfs/dbraw/zinc/77/62/96/502776296.db2.gz NTRXFZRCHJYUDB-FXAWDEMLSA-N 2 1 369.513 3.059 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474000717 502776300 /nfs/dbraw/zinc/77/63/00/502776300.db2.gz NTRXFZRCHJYUDB-FXAWDEMLSA-N 2 1 369.513 3.059 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000481207541 502782995 /nfs/dbraw/zinc/78/29/95/502782995.db2.gz XFGWRCJJKBITTQ-HIHICTBBSA-N 2 1 371.569 3.428 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000481207541 502782999 /nfs/dbraw/zinc/78/29/99/502782999.db2.gz XFGWRCJJKBITTQ-HIHICTBBSA-N 2 1 371.569 3.428 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000470476544 502789056 /nfs/dbraw/zinc/78/90/56/502789056.db2.gz ZITWOOWEEKXJNK-NRFANRHFSA-N 2 1 374.573 3.459 20 0 FGADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000474078143 502800860 /nfs/dbraw/zinc/80/08/60/502800860.db2.gz FXWKKBUVWHGNLB-VAMGGRTRSA-N 2 1 350.547 3.206 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000485039267 502808563 /nfs/dbraw/zinc/80/85/63/502808563.db2.gz HOPWXMMYGZRSAE-UHFFFAOYSA-N 2 1 359.514 3.364 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000509131526 502828725 /nfs/dbraw/zinc/82/87/25/502828725.db2.gz IWMQGQCUZHGPMX-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@@H+]3Cc3ccccc3)CC2)CC1 ZINC000505123922 502854728 /nfs/dbraw/zinc/85/47/28/502854728.db2.gz OOTGNGQEVMEWLM-LZBANZJXSA-N 2 1 369.553 3.420 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC000505123922 502854731 /nfs/dbraw/zinc/85/47/31/502854731.db2.gz OOTGNGQEVMEWLM-LZBANZJXSA-N 2 1 369.553 3.420 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495667309 502855985 /nfs/dbraw/zinc/85/59/85/502855985.db2.gz HQZHSZMCJFDGKM-NHCUHLMSSA-N 2 1 373.516 3.171 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495667309 502855988 /nfs/dbraw/zinc/85/59/88/502855988.db2.gz HQZHSZMCJFDGKM-NHCUHLMSSA-N 2 1 373.516 3.171 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)C1 ZINC000496588773 502895415 /nfs/dbraw/zinc/89/54/15/502895415.db2.gz BINDLZDDLYTSQA-QRVBRYPASA-N 2 1 364.578 3.155 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000496588771 502895564 /nfs/dbraw/zinc/89/55/64/502895564.db2.gz BINDLZDDLYTSQA-IPMKNSEASA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048512 502922285 /nfs/dbraw/zinc/92/22/85/502922285.db2.gz VXTOVCXKAYISEV-KRWDZBQOSA-N 2 1 358.530 3.067 20 0 FGADMP C[N@@H+](CCC(=O)NCC1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049108 502922404 /nfs/dbraw/zinc/92/24/04/502922404.db2.gz SPNVUCBVNMHHSR-UHFFFAOYSA-N 2 1 372.557 3.316 20 0 FGADMP COc1cccc([C@H]2C[C@H](C)C[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063146 502925592 /nfs/dbraw/zinc/92/55/92/502925592.db2.gz GFZZFNHEBJMCOR-SIKLNZKXSA-N 2 1 359.558 3.494 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000501107684 502940148 /nfs/dbraw/zinc/94/01/48/502940148.db2.gz FOTCHHDLRWRHAI-ANULTFPQSA-N 2 1 351.579 3.072 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000501161797 502952180 /nfs/dbraw/zinc/95/21/80/502952180.db2.gz GNSYWPOGJTXGSL-AEFFLSMTSA-N 2 1 366.575 3.305 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508350 502955285 /nfs/dbraw/zinc/95/52/85/502955285.db2.gz YAJLGJFDCUNKEV-AEFFLSMTSA-N 2 1 355.482 3.192 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498050 502972843 /nfs/dbraw/zinc/97/28/43/502972843.db2.gz OEIXJKXFOYSCEZ-UXHICEINSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498050 502972847 /nfs/dbraw/zinc/97/28/47/502972847.db2.gz OEIXJKXFOYSCEZ-UXHICEINSA-N 2 1 373.541 3.069 20 0 FGADMP COCC[C@@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497495848 502973236 /nfs/dbraw/zinc/97/32/36/502973236.db2.gz OPFGBLAMSGCVFR-PJEZACDQSA-N 2 1 357.542 3.007 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489565479 502987697 /nfs/dbraw/zinc/98/76/97/502987697.db2.gz ZRXOCRZGNQCBPN-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000513665164 502995056 /nfs/dbraw/zinc/99/50/56/502995056.db2.gz BXHSXYHRPZRREN-UAGQMJEPSA-N 2 1 353.304 3.420 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000513665164 502995060 /nfs/dbraw/zinc/99/50/60/502995060.db2.gz BXHSXYHRPZRREN-UAGQMJEPSA-N 2 1 353.304 3.420 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000513667334 502995425 /nfs/dbraw/zinc/99/54/25/502995425.db2.gz QNILEKZDSYCMRV-HYVNUMGLSA-N 2 1 350.890 3.464 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000513690589 503001752 /nfs/dbraw/zinc/00/17/52/503001752.db2.gz KVSJRXCOWJONAZ-IKGGRYGDSA-N 2 1 353.304 3.290 20 0 FGADMP CC[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000513690762 503002197 /nfs/dbraw/zinc/00/21/97/503002197.db2.gz LXURKPLSFUJWJO-OAQYLSRUSA-N 2 1 371.569 3.446 20 0 FGADMP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489676842 503009062 /nfs/dbraw/zinc/00/90/62/503009062.db2.gz IXHLHTAMHQWJSL-IBGZPJMESA-N 2 1 359.558 3.381 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000513750199 503015961 /nfs/dbraw/zinc/01/59/61/503015961.db2.gz CLTDOANFLTYNFA-UHFFFAOYSA-N 2 1 360.454 3.002 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@H]1C ZINC000501533603 503032151 /nfs/dbraw/zinc/03/21/51/503032151.db2.gz SAMRWYPAJUXSTI-MOPGFXCFSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000510023368 503032164 /nfs/dbraw/zinc/03/21/64/503032164.db2.gz KVQRRMYVXGPXGA-UHFFFAOYSA-N 2 1 350.260 3.069 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535667 503032196 /nfs/dbraw/zinc/03/21/96/503032196.db2.gz XARAPVSAAMPLCW-SBHAEUEKSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccs1 ZINC000501575439 503042380 /nfs/dbraw/zinc/04/23/80/503042380.db2.gz OCGONHMORCQNRY-QGZVFWFLSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861511 503051249 /nfs/dbraw/zinc/05/12/49/503051249.db2.gz OJZZYGKEWVDAKL-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032292 503072444 /nfs/dbraw/zinc/07/24/44/503072444.db2.gz FEUVHASHBGHRRH-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053813 503076068 /nfs/dbraw/zinc/07/60/68/503076068.db2.gz BEFDBDNEAQWWSX-NJYVYQBISA-N 2 1 370.541 3.058 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267035 503082354 /nfs/dbraw/zinc/08/23/54/503082354.db2.gz GPCUUEKVBVQQNS-IRLDBZIGSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506267035 503082358 /nfs/dbraw/zinc/08/23/58/503082358.db2.gz GPCUUEKVBVQQNS-IRLDBZIGSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506267035 503082364 /nfs/dbraw/zinc/08/23/64/503082364.db2.gz GPCUUEKVBVQQNS-IRLDBZIGSA-N 2 1 357.542 3.422 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336829 503094360 /nfs/dbraw/zinc/09/43/60/503094360.db2.gz NPKNONXPQKASOR-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126812 503094703 /nfs/dbraw/zinc/09/47/03/503094703.db2.gz MIZNKWGOCKNJFL-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000514126812 503094705 /nfs/dbraw/zinc/09/47/05/503094705.db2.gz MIZNKWGOCKNJFL-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000514126812 503094709 /nfs/dbraw/zinc/09/47/09/503094709.db2.gz MIZNKWGOCKNJFL-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000498054563 503096667 /nfs/dbraw/zinc/09/66/67/503096667.db2.gz PDGAJDRWHRGENZ-RXVVDRJESA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471226 503121365 /nfs/dbraw/zinc/12/13/65/503121365.db2.gz CUJSQGBLJRTQRQ-SSTJLMRISA-N 2 1 363.590 3.466 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490171631 503122356 /nfs/dbraw/zinc/12/23/56/503122356.db2.gz GHZIECOLGFPUAH-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640594 503155650 /nfs/dbraw/zinc/15/56/50/503155650.db2.gz VXRGKNXVPSUQJA-IRFCIJBXSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640594 503155653 /nfs/dbraw/zinc/15/56/53/503155653.db2.gz VXRGKNXVPSUQJA-IRFCIJBXSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000514640594 503155657 /nfs/dbraw/zinc/15/56/57/503155657.db2.gz VXRGKNXVPSUQJA-IRFCIJBXSA-N 2 1 374.573 3.459 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000510671310 503169429 /nfs/dbraw/zinc/16/94/29/503169429.db2.gz PXRAVKXKUVKWKH-QUCCMNQESA-N 2 1 361.505 3.082 20 0 FGADMP C[C@@H]1C[C@H](N[C@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000502342271 503183129 /nfs/dbraw/zinc/18/31/29/503183129.db2.gz BDHJEASOXVXJIF-WQGACYEGSA-N 2 1 351.288 3.488 20 0 FGADMP C[C@@H]1C[C@H](N[C@H]2CCOc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000502342271 503183131 /nfs/dbraw/zinc/18/31/31/503183131.db2.gz BDHJEASOXVXJIF-WQGACYEGSA-N 2 1 351.288 3.488 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000506905188 503191869 /nfs/dbraw/zinc/19/18/69/503191869.db2.gz ZEGCPMBEAPWEQL-VQTJNVASSA-N 2 1 366.594 3.401 20 0 FGADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000502460143 503203234 /nfs/dbraw/zinc/20/32/34/503203234.db2.gz FLPIWUVMAUODKO-ZWKOTPCHSA-N 2 1 364.530 3.034 20 0 FGADMP COc1cc(C)c(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000502460143 503203237 /nfs/dbraw/zinc/20/32/37/503203237.db2.gz FLPIWUVMAUODKO-ZWKOTPCHSA-N 2 1 364.530 3.034 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000507090687 503228436 /nfs/dbraw/zinc/22/84/36/503228436.db2.gz VDLTYOKUNBODFZ-UXHICEINSA-N 2 1 360.546 3.061 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491020163 503261928 /nfs/dbraw/zinc/26/19/28/503261928.db2.gz NBHRIFJIGSBZDV-KNQAVFIVSA-N 2 1 373.585 3.321 20 0 FGADMP CC[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000511257311 503288978 /nfs/dbraw/zinc/28/89/78/503288978.db2.gz CYNDUOZPFWHPHQ-TWFHAPMSSA-N 2 1 357.542 3.201 20 0 FGADMP CC[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000511257311 503288982 /nfs/dbraw/zinc/28/89/82/503288982.db2.gz CYNDUOZPFWHPHQ-TWFHAPMSSA-N 2 1 357.542 3.201 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000507388400 503291776 /nfs/dbraw/zinc/29/17/76/503291776.db2.gz FWMMIAQXOBOFDK-UYAOXDASSA-N 2 1 360.546 3.101 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000502874995 503296126 /nfs/dbraw/zinc/29/61/26/503296126.db2.gz HKERIHDKCPHWAB-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](C)C ZINC000502897258 503302518 /nfs/dbraw/zinc/30/25/18/503302518.db2.gz WAQAMNLDEKPFRF-CUWPLCDZSA-N 2 1 372.557 3.302 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCOC3)CC2)cs1 ZINC000507515121 503312111 /nfs/dbraw/zinc/31/21/11/503312111.db2.gz URWIJHMGFSVWHH-NVXWUHKLSA-N 2 1 351.560 3.322 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000502963091 503315270 /nfs/dbraw/zinc/31/52/70/503315270.db2.gz XXOYFNCZVJIFCY-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000507533380 503316446 /nfs/dbraw/zinc/31/64/46/503316446.db2.gz OBJRLJYNWGKMNL-RXVVDRJESA-N 2 1 357.542 3.185 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000507533380 503316450 /nfs/dbraw/zinc/31/64/50/503316450.db2.gz OBJRLJYNWGKMNL-RXVVDRJESA-N 2 1 357.542 3.185 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499070225 503326168 /nfs/dbraw/zinc/32/61/68/503326168.db2.gz PKKWXLXWKVKPJX-HXUWFJFHSA-N 2 1 370.497 3.202 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499070225 503326172 /nfs/dbraw/zinc/32/61/72/503326172.db2.gz PKKWXLXWKVKPJX-HXUWFJFHSA-N 2 1 370.497 3.202 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)CC1 ZINC000515386555 503328982 /nfs/dbraw/zinc/32/89/82/503328982.db2.gz PVXRJXRUYCVFLU-SFTDATJTSA-N 2 1 361.574 3.221 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCC[C@H]3C3CC3)CC2)CC1 ZINC000515386555 503328984 /nfs/dbraw/zinc/32/89/84/503328984.db2.gz PVXRJXRUYCVFLU-SFTDATJTSA-N 2 1 361.574 3.221 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000503062521 503339362 /nfs/dbraw/zinc/33/93/62/503339362.db2.gz JIBVMJOLOWWTAR-UHFFFAOYSA-N 2 1 354.498 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000503062521 503339367 /nfs/dbraw/zinc/33/93/67/503339367.db2.gz JIBVMJOLOWWTAR-UHFFFAOYSA-N 2 1 354.498 3.208 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000503072335 503341496 /nfs/dbraw/zinc/34/14/96/503341496.db2.gz KCGOPLVDWHUFQD-GOSISDBHSA-N 2 1 368.525 3.341 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1 ZINC000503072335 503341498 /nfs/dbraw/zinc/34/14/98/503341498.db2.gz KCGOPLVDWHUFQD-GOSISDBHSA-N 2 1 368.525 3.341 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353049 503366112 /nfs/dbraw/zinc/36/61/12/503366112.db2.gz QOHZRJLMAGXKLK-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353049 503366120 /nfs/dbraw/zinc/36/61/20/503366120.db2.gz QOHZRJLMAGXKLK-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000511860599 503402136 /nfs/dbraw/zinc/40/21/36/503402136.db2.gz DBNMRBMDDBLSJX-LJQANCHMSA-N 2 1 373.541 3.040 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000508061735 503421521 /nfs/dbraw/zinc/42/15/21/503421521.db2.gz YFGOYRAQNHBTCN-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512050836 503444059 /nfs/dbraw/zinc/44/40/59/503444059.db2.gz DRSYCKLMXMLVKZ-GIWCBKPCSA-N 2 1 372.459 3.451 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000512050836 503444062 /nfs/dbraw/zinc/44/40/62/503444062.db2.gz DRSYCKLMXMLVKZ-GIWCBKPCSA-N 2 1 372.459 3.451 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512107219 503459048 /nfs/dbraw/zinc/45/90/48/503459048.db2.gz QJKJZEWRHLBJKM-AWEZNQCLSA-N 2 1 352.404 3.323 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512107219 503459051 /nfs/dbraw/zinc/45/90/51/503459051.db2.gz QJKJZEWRHLBJKM-AWEZNQCLSA-N 2 1 352.404 3.323 20 0 FGADMP c1ccc(COC2CC([NH2+]Cc3ccccc3C[NH+]3CCOCC3)C2)cc1 ZINC000493952030 503465119 /nfs/dbraw/zinc/46/51/19/503465119.db2.gz GVOVYXDKOBCUKM-UHFFFAOYSA-N 2 1 366.505 3.356 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000499732131 503469619 /nfs/dbraw/zinc/46/96/19/503469619.db2.gz LIUHRLBIYMAYTK-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000608013372 506375987 /nfs/dbraw/zinc/37/59/87/506375987.db2.gz ARTOXFFNMWLPAM-LEWJYISDSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441931 503513267 /nfs/dbraw/zinc/51/32/67/503513267.db2.gz HGTAHUJECYYYJL-WFASDCNBSA-N 2 1 350.304 3.403 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000512318861 503518885 /nfs/dbraw/zinc/51/88/85/503518885.db2.gz TXSGKCWKRYNTPZ-UWJYYQICSA-N 2 1 371.550 3.227 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@H]1CCC1(C)C ZINC000512386551 503533388 /nfs/dbraw/zinc/53/33/88/503533388.db2.gz GWDRSJNVUIKQAA-IBGZPJMESA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693738 503544427 /nfs/dbraw/zinc/54/44/27/503544427.db2.gz BJQXSLDCWAVDJZ-KNQAVFIVSA-N 2 1 365.521 3.225 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430983 503549115 /nfs/dbraw/zinc/54/91/15/503549115.db2.gz WIJKFYZVFNEYTI-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000516761986 503581897 /nfs/dbraw/zinc/58/18/97/503581897.db2.gz QMQQVRJSXKDTRI-WFASDCNBSA-N 2 1 372.296 3.164 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000504582631 503592809 /nfs/dbraw/zinc/59/28/09/503592809.db2.gz OYTIBILKJUDVPG-QFIPXVFZSA-N 2 1 373.585 3.189 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000504582631 503592811 /nfs/dbraw/zinc/59/28/11/503592811.db2.gz OYTIBILKJUDVPG-QFIPXVFZSA-N 2 1 373.585 3.189 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000504582631 503592814 /nfs/dbraw/zinc/59/28/14/503592814.db2.gz OYTIBILKJUDVPG-QFIPXVFZSA-N 2 1 373.585 3.189 20 0 FGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512642490 503601701 /nfs/dbraw/zinc/60/17/01/503601701.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512642490 503601703 /nfs/dbraw/zinc/60/17/03/503601703.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000512642490 503601705 /nfs/dbraw/zinc/60/17/05/503601705.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000512642490 503601709 /nfs/dbraw/zinc/60/17/09/503601709.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512642490 503601712 /nfs/dbraw/zinc/60/17/12/503601712.db2.gz QDXYFIFXHXBJQO-PDLVNTSBSA-N 2 1 353.554 3.359 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653204 503604300 /nfs/dbraw/zinc/60/43/00/503604300.db2.gz DEORUCWNVZYMNV-GBESFXJTSA-N 2 1 369.475 3.371 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512670799 503608848 /nfs/dbraw/zinc/60/88/48/503608848.db2.gz BHWDUBYMJNSLDZ-HBMCJLEFSA-N 2 1 365.525 3.046 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000509037907 503627071 /nfs/dbraw/zinc/62/70/71/503627071.db2.gz LUKZUPPLDJQJLV-GOSISDBHSA-N 2 1 366.937 3.070 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000509037907 503627078 /nfs/dbraw/zinc/62/70/78/503627078.db2.gz LUKZUPPLDJQJLV-GOSISDBHSA-N 2 1 366.937 3.070 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000509037907 503627081 /nfs/dbraw/zinc/62/70/81/503627081.db2.gz LUKZUPPLDJQJLV-GOSISDBHSA-N 2 1 366.937 3.070 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660017 503664903 /nfs/dbraw/zinc/66/49/03/503664903.db2.gz SHQPEUJZJKLZGG-IEBWSBKVSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660017 503664909 /nfs/dbraw/zinc/66/49/09/503664909.db2.gz SHQPEUJZJKLZGG-IEBWSBKVSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@H]1C ZINC000536660017 503664913 /nfs/dbraw/zinc/66/49/13/503664913.db2.gz SHQPEUJZJKLZGG-IEBWSBKVSA-N 2 1 362.514 3.160 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000527113997 503684954 /nfs/dbraw/zinc/68/49/54/503684954.db2.gz XIRJQMOOSLFONW-HXUWFJFHSA-N 2 1 366.509 3.036 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000540137808 503685908 /nfs/dbraw/zinc/68/59/08/503685908.db2.gz RDPOVVOIZXUWED-UGKGYDQZSA-N 2 1 374.573 3.025 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H](C)C1 ZINC000540167748 503695707 /nfs/dbraw/zinc/69/57/07/503695707.db2.gz SHAUGUWETIXABW-HNAYVOBHSA-N 2 1 356.457 3.070 20 0 FGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245350 503722974 /nfs/dbraw/zinc/72/29/74/503722974.db2.gz RZRZVRNAOIAHTI-KURKYZTESA-N 2 1 364.505 3.477 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245590 503723615 /nfs/dbraw/zinc/72/36/15/503723615.db2.gz YMUIHXZOHGEADV-KURKYZTESA-N 2 1 364.505 3.477 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1)CC(C)C ZINC000540267174 503727755 /nfs/dbraw/zinc/72/77/55/503727755.db2.gz SDZYLOZMKOHATD-LJQANCHMSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1)CC(C)C ZINC000540267174 503727760 /nfs/dbraw/zinc/72/77/60/503727760.db2.gz SDZYLOZMKOHATD-LJQANCHMSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1)CC(C)C ZINC000540267174 503727768 /nfs/dbraw/zinc/72/77/68/503727768.db2.gz SDZYLOZMKOHATD-LJQANCHMSA-N 2 1 364.578 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000536845935 503738935 /nfs/dbraw/zinc/73/89/35/503738935.db2.gz NGVFMQGZKOSZFR-HJZRJOMTSA-N 2 1 364.534 3.131 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000543393004 503752169 /nfs/dbraw/zinc/75/21/69/503752169.db2.gz NNVUJCLXYQBFRT-HSZRJFAPSA-N 2 1 370.512 3.416 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000543397058 503752764 /nfs/dbraw/zinc/75/27/64/503752764.db2.gz VZUQZYHXXIGDOC-LLGFUMIMSA-N 2 1 353.514 3.413 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000530026424 503800353 /nfs/dbraw/zinc/80/03/53/503800353.db2.gz UCLXBPQHIYHDGJ-HXUWFJFHSA-N 2 1 373.541 3.154 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578883 503818206 /nfs/dbraw/zinc/81/82/06/503818206.db2.gz DXRRTKJQEPGHHX-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578883 503818213 /nfs/dbraw/zinc/81/82/13/503818213.db2.gz DXRRTKJQEPGHHX-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1C ZINC000533409132 503834085 /nfs/dbraw/zinc/83/40/85/503834085.db2.gz OJQCRZIFXOBJAD-UHFFFAOYSA-N 2 1 374.529 3.004 20 0 FGADMP CN(CCC[NH+](C)C)C(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000543673367 503848419 /nfs/dbraw/zinc/84/84/19/503848419.db2.gz BLGVBZYXPARZPP-FQEVSTJZSA-N 2 1 374.573 3.053 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527658180 503880969 /nfs/dbraw/zinc/88/09/69/503880969.db2.gz FRXTWRUJSKRWTD-NRFANRHFSA-N 2 1 370.541 3.099 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222036 503881982 /nfs/dbraw/zinc/88/19/82/503881982.db2.gz QRNSRQQLPVVEML-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000518271000 503941355 /nfs/dbraw/zinc/94/13/55/503941355.db2.gz ZCQPLXDXDVAXFE-JZXOWHBKSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000518271000 503941357 /nfs/dbraw/zinc/94/13/57/503941357.db2.gz ZCQPLXDXDVAXFE-JZXOWHBKSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000518271000 503941359 /nfs/dbraw/zinc/94/13/59/503941359.db2.gz ZCQPLXDXDVAXFE-JZXOWHBKSA-N 2 1 366.575 3.159 20 0 FGADMP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000518428463 503981791 /nfs/dbraw/zinc/98/17/91/503981791.db2.gz SNBQSBQBPATXKG-FQEVSTJZSA-N 2 1 372.557 3.017 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000518452509 503989603 /nfs/dbraw/zinc/98/96/03/503989603.db2.gz ATCGNONNTZQESQ-SFHVURJKSA-N 2 1 374.573 3.448 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000518669714 504039512 /nfs/dbraw/zinc/03/95/12/504039512.db2.gz KTSLNUNBUPBWIF-NRFANRHFSA-N 2 1 372.557 3.204 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(=O)N1CCCC1 ZINC000528016724 504041767 /nfs/dbraw/zinc/04/17/67/504041767.db2.gz UTXADYRAPZVRMQ-QHAWAJNXSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000544190224 504042980 /nfs/dbraw/zinc/04/29/80/504042980.db2.gz HLZDVBIFVYQWBF-AZUAARDMSA-N 2 1 373.541 3.263 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662883 504043543 /nfs/dbraw/zinc/04/35/43/504043543.db2.gz WUMHYTRMRDSVQQ-TZMCWYRMSA-N 2 1 369.303 3.482 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662883 504043547 /nfs/dbraw/zinc/04/35/47/504043547.db2.gz WUMHYTRMRDSVQQ-TZMCWYRMSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662883 504043550 /nfs/dbraw/zinc/04/35/50/504043550.db2.gz WUMHYTRMRDSVQQ-TZMCWYRMSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662883 504043554 /nfs/dbraw/zinc/04/35/54/504043554.db2.gz WUMHYTRMRDSVQQ-TZMCWYRMSA-N 2 1 369.303 3.482 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198603 504044876 /nfs/dbraw/zinc/04/48/76/504044876.db2.gz PUROTBXHHWHBIF-HKUYNNGSSA-N 2 1 372.557 3.484 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000544303737 504079780 /nfs/dbraw/zinc/07/97/80/504079780.db2.gz SCKOXEDPRNAKGZ-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000530783530 504085311 /nfs/dbraw/zinc/08/53/11/504085311.db2.gz WDXIWBCITOWDQE-QRWLVFNGSA-N 2 1 367.497 3.120 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000530783530 504085316 /nfs/dbraw/zinc/08/53/16/504085316.db2.gz WDXIWBCITOWDQE-QRWLVFNGSA-N 2 1 367.497 3.120 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000544347009 504096839 /nfs/dbraw/zinc/09/68/39/504096839.db2.gz AUEJBBFBAKWTOL-JOCHJYFZSA-N 2 1 362.477 3.448 20 0 FGADMP COCC[NH+]1CCC([NH2+]CCOc2ccccc2-c2ccccc2)CC1 ZINC000537990040 504104267 /nfs/dbraw/zinc/10/42/67/504104267.db2.gz HATKCLVAQAQQBF-UHFFFAOYSA-N 2 1 354.494 3.433 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2cccs2)CC1 ZINC000534316798 504108023 /nfs/dbraw/zinc/10/80/23/504108023.db2.gz YFZGLJFMZMILAV-SLFFLAALSA-N 2 1 355.551 3.430 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000534332161 504113734 /nfs/dbraw/zinc/11/37/34/504113734.db2.gz URPLWQCMLAFTRJ-UHFFFAOYSA-N 2 1 359.493 3.350 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000544408955 504122531 /nfs/dbraw/zinc/12/25/31/504122531.db2.gz QQDODWISTUDABO-KRWDZBQOSA-N 2 1 354.922 3.193 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000544408955 504122536 /nfs/dbraw/zinc/12/25/36/504122536.db2.gz QQDODWISTUDABO-KRWDZBQOSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000538047111 504124346 /nfs/dbraw/zinc/12/43/46/504124346.db2.gz PBHVILDLYNNSDP-AQNXPRMDSA-N 2 1 360.542 3.380 20 0 FGADMP C[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccccc1 ZINC000538047111 504124351 /nfs/dbraw/zinc/12/43/51/504124351.db2.gz PBHVILDLYNNSDP-AQNXPRMDSA-N 2 1 360.542 3.380 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000530905126 504124590 /nfs/dbraw/zinc/12/45/90/504124590.db2.gz BHZNYOGLAQVUND-MISYRCLQSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000530905126 504124597 /nfs/dbraw/zinc/12/45/97/504124597.db2.gz BHZNYOGLAQVUND-MISYRCLQSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000530905126 504124600 /nfs/dbraw/zinc/12/46/00/504124600.db2.gz BHZNYOGLAQVUND-MISYRCLQSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000530905126 504124604 /nfs/dbraw/zinc/12/46/04/504124604.db2.gz BHZNYOGLAQVUND-MISYRCLQSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C(C)C)CC1 ZINC000519287658 504183731 /nfs/dbraw/zinc/18/37/31/504183731.db2.gz MSVVZKHCFJQRMC-NRFANRHFSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C(C)C)CC1 ZINC000519287658 504183737 /nfs/dbraw/zinc/18/37/37/504183737.db2.gz MSVVZKHCFJQRMC-NRFANRHFSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C(C)C)CC1 ZINC000519287658 504183740 /nfs/dbraw/zinc/18/37/40/504183740.db2.gz MSVVZKHCFJQRMC-NRFANRHFSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000519381314 504207974 /nfs/dbraw/zinc/20/79/74/504207974.db2.gz WXWUDGWFLFVUTG-QYZOEREBSA-N 2 1 352.567 3.203 20 0 FGADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000544701052 504225034 /nfs/dbraw/zinc/22/50/34/504225034.db2.gz GOCUXWILWCKSCF-FQEVSTJZSA-N 2 1 365.525 3.425 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000544701052 504225038 /nfs/dbraw/zinc/22/50/38/504225038.db2.gz GOCUXWILWCKSCF-FQEVSTJZSA-N 2 1 365.525 3.425 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000531322892 504265837 /nfs/dbraw/zinc/26/58/37/504265837.db2.gz VTVAAOQVIBPVFS-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000531322892 504265841 /nfs/dbraw/zinc/26/58/41/504265841.db2.gz VTVAAOQVIBPVFS-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000531322892 504265847 /nfs/dbraw/zinc/26/58/47/504265847.db2.gz VTVAAOQVIBPVFS-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](Cc1cccc(Cl)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000535123011 504348120 /nfs/dbraw/zinc/34/81/20/504348120.db2.gz DBDBOHRQEHZYBS-HNNXBMFYSA-N 2 1 372.900 3.304 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155491 504350765 /nfs/dbraw/zinc/35/07/65/504350765.db2.gz UIRZATKMBFWYBH-BWAGFHJFSA-N 2 1 370.512 3.477 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141778 504378770 /nfs/dbraw/zinc/37/87/70/504378770.db2.gz SYIRDCNZZGCPJJ-CQSZACIVSA-N 2 1 370.335 3.486 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000545240313 504411721 /nfs/dbraw/zinc/41/17/21/504411721.db2.gz UCWNUOUUGXYUNP-YLJYHZDGSA-N 2 1 373.566 3.266 20 0 FGADMP C[C@H]1CCC[C@@](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192372 504431380 /nfs/dbraw/zinc/43/13/80/504431380.db2.gz OYCSAFZQFJMLJG-FXAWDEMLSA-N 2 1 352.567 3.013 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC(Nc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000520243616 504445330 /nfs/dbraw/zinc/44/53/30/504445330.db2.gz YTMIGEFQBMHKOS-UHFFFAOYSA-N 2 1 360.889 3.243 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346877 504473918 /nfs/dbraw/zinc/47/39/18/504473918.db2.gz FSLWHKPDVWRCNT-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520346877 504473924 /nfs/dbraw/zinc/47/39/24/504473924.db2.gz FSLWHKPDVWRCNT-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520346877 504473928 /nfs/dbraw/zinc/47/39/28/504473928.db2.gz FSLWHKPDVWRCNT-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3ccccc3C2)c2cccs2)CC1 ZINC000531932295 504479187 /nfs/dbraw/zinc/47/91/87/504479187.db2.gz FBOVOYRAXRQZLF-PMACEKPBSA-N 2 1 355.551 3.184 20 0 FGADMP Cc1ccc(C)c(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539150274 504488405 /nfs/dbraw/zinc/48/84/05/504488405.db2.gz XFJIWXRTIVFSPR-PMACEKPBSA-N 2 1 360.542 3.394 20 0 FGADMP C[C@@H]1C[N@H+](CCCN[C@@H](c2ccc(F)cc2)c2cccnc2)C[C@H](C)O1 ZINC000542479308 504506544 /nfs/dbraw/zinc/50/65/44/504506544.db2.gz UBYANKSUJGKNPZ-FVJLSDCUSA-N 2 1 357.473 3.399 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000539305344 504525363 /nfs/dbraw/zinc/52/53/63/504525363.db2.gz OXCVVYJEHNUOBQ-RTBURBONSA-N 2 1 351.494 3.243 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534622 504530098 /nfs/dbraw/zinc/53/00/98/504530098.db2.gz UBUQINNBRCUFKL-SOLBZPMBSA-N 2 1 361.505 3.246 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534622 504530101 /nfs/dbraw/zinc/53/01/01/504530101.db2.gz UBUQINNBRCUFKL-SOLBZPMBSA-N 2 1 361.505 3.246 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000520703632 504560770 /nfs/dbraw/zinc/56/07/70/504560770.db2.gz LYTHHCUAXJVSID-HXUWFJFHSA-N 2 1 370.541 3.099 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532191750 504568789 /nfs/dbraw/zinc/56/87/89/504568789.db2.gz QDIYQXNIIKZQRX-ATZDWAIDSA-N 2 1 363.933 3.293 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C(C)(C)C2)CC1 ZINC000520902275 504607368 /nfs/dbraw/zinc/60/73/68/504607368.db2.gz XGVJRAUQBSPZCV-IBGZPJMESA-N 2 1 371.569 3.444 20 0 FGADMP CC(C)[C@@H](c1ccccc1Cl)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919734 504620591 /nfs/dbraw/zinc/62/05/91/504620591.db2.gz TZMRWDWTQRNQJG-IBGZPJMESA-N 2 1 351.922 3.133 20 0 FGADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919734 504620594 /nfs/dbraw/zinc/62/05/94/504620594.db2.gz TZMRWDWTQRNQJG-IBGZPJMESA-N 2 1 351.922 3.133 20 0 FGADMP C[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000521001355 504626479 /nfs/dbraw/zinc/62/64/79/504626479.db2.gz QZOBISWQMAIEOO-KKSFZXQISA-N 2 1 364.493 3.117 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000536100487 504633768 /nfs/dbraw/zinc/63/37/68/504633768.db2.gz VLZWVIKUPROHPL-IZZBFERCSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000536100487 504633774 /nfs/dbraw/zinc/63/37/74/504633774.db2.gz VLZWVIKUPROHPL-IZZBFERCSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000536100487 504633778 /nfs/dbraw/zinc/63/37/78/504633778.db2.gz VLZWVIKUPROHPL-IZZBFERCSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)N1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539697227 504656444 /nfs/dbraw/zinc/65/64/44/504656444.db2.gz CGZCZWSXKWXOQR-HKUYNNGSSA-N 2 1 369.912 3.459 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000539819383 504701281 /nfs/dbraw/zinc/70/12/81/504701281.db2.gz CMCKTTLHSJYZIM-OAHLLOKOSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000539819383 504701286 /nfs/dbraw/zinc/70/12/86/504701286.db2.gz CMCKTTLHSJYZIM-OAHLLOKOSA-N 2 1 372.465 3.146 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2nccs2)CC1)CC1CC1 ZINC000540050125 504766191 /nfs/dbraw/zinc/76/61/91/504766191.db2.gz KGVWIWBADCQGJN-OAHLLOKOSA-N 2 1 364.559 3.304 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2nccs2)CC1)CC1CC1 ZINC000540050125 504766192 /nfs/dbraw/zinc/76/61/92/504766192.db2.gz KGVWIWBADCQGJN-OAHLLOKOSA-N 2 1 364.559 3.304 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1CNC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000549247294 504772938 /nfs/dbraw/zinc/77/29/38/504772938.db2.gz MFDZKCWFQOLAIK-LJQANCHMSA-N 2 1 355.530 3.342 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000549247294 504772941 /nfs/dbraw/zinc/77/29/41/504772941.db2.gz MFDZKCWFQOLAIK-LJQANCHMSA-N 2 1 355.530 3.342 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000549247294 504772944 /nfs/dbraw/zinc/77/29/44/504772944.db2.gz MFDZKCWFQOLAIK-LJQANCHMSA-N 2 1 355.530 3.342 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565061291 504784885 /nfs/dbraw/zinc/78/48/85/504784885.db2.gz AMDXMOMHRBBXAC-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556050924 504787335 /nfs/dbraw/zinc/78/73/35/504787335.db2.gz QNENBUMGKXGHCK-UXHICEINSA-N 2 1 352.478 3.425 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556050924 504787340 /nfs/dbraw/zinc/78/73/40/504787340.db2.gz QNENBUMGKXGHCK-UXHICEINSA-N 2 1 352.478 3.425 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556076506 504791577 /nfs/dbraw/zinc/79/15/77/504791577.db2.gz OJKPTUJSGQTLDG-CTNGQTDRSA-N 2 1 359.558 3.301 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000556104793 504797515 /nfs/dbraw/zinc/79/75/15/504797515.db2.gz LDJHIQACLMXXKT-LNRXMEIDSA-N 2 1 357.542 3.055 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000556104793 504797519 /nfs/dbraw/zinc/79/75/19/504797519.db2.gz LDJHIQACLMXXKT-LNRXMEIDSA-N 2 1 357.542 3.055 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(Cl)ccc3O)CC2)CC1 ZINC000553037997 504811132 /nfs/dbraw/zinc/81/11/32/504811132.db2.gz OKWSUQRHCZGDIL-UHFFFAOYSA-N 2 1 365.905 3.180 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231935 504824137 /nfs/dbraw/zinc/82/41/37/504824137.db2.gz GLDZMFIMNWSBRJ-UYAOXDASSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231935 504824141 /nfs/dbraw/zinc/82/41/41/504824141.db2.gz GLDZMFIMNWSBRJ-UYAOXDASSA-N 2 1 366.509 3.056 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549448099 504824801 /nfs/dbraw/zinc/82/48/01/504824801.db2.gz FGQRYNGAJMMQSB-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000556239026 504826097 /nfs/dbraw/zinc/82/60/97/504826097.db2.gz ATPPUWWIMWHZJR-KKSFZXQISA-N 2 1 373.516 3.342 20 0 FGADMP CC(=O)N(c1nc(C[NH2+]CCCCC[NH+]2CCCC2)cs1)C1CC1 ZINC000559326935 504835684 /nfs/dbraw/zinc/83/56/84/504835684.db2.gz SOYBWCANICJQNF-UHFFFAOYSA-N 2 1 350.532 3.014 20 0 FGADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000549729980 504883293 /nfs/dbraw/zinc/88/32/93/504883293.db2.gz YAUXTMSUFXPDFZ-UHFFFAOYSA-N 2 1 369.553 3.233 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448644 504917710 /nfs/dbraw/zinc/91/77/10/504917710.db2.gz JADDPRZASXKQJB-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@@H]1c1ccccc1 ZINC000559754199 504922949 /nfs/dbraw/zinc/92/29/49/504922949.db2.gz WQVHKPABFYDYEN-WOJBJXKFSA-N 2 1 367.541 3.362 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@@H]1c1ccccc1 ZINC000559754199 504922952 /nfs/dbraw/zinc/92/29/52/504922952.db2.gz WQVHKPABFYDYEN-WOJBJXKFSA-N 2 1 367.541 3.362 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3(C)CC[NH2+]CC3)cc2)C1 ZINC000562790144 504945988 /nfs/dbraw/zinc/94/59/88/504945988.db2.gz WKBWZCBQPOZIKT-SFHVURJKSA-N 2 1 372.557 3.107 20 0 FGADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000559906826 504948206 /nfs/dbraw/zinc/94/82/06/504948206.db2.gz DVAFGDRAABOFMX-IBGZPJMESA-N 2 1 353.470 3.072 20 0 FGADMP O=C(CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1)Nc1cccc(F)c1 ZINC000559985902 504964429 /nfs/dbraw/zinc/96/44/29/504964429.db2.gz IIKJTYQCJFCZEW-UHFFFAOYSA-N 2 1 355.457 3.192 20 0 FGADMP O=C(CC[NH2+]CCC[N@H+]1CCc2ccccc2C1)Nc1cccc(F)c1 ZINC000559985902 504964432 /nfs/dbraw/zinc/96/44/32/504964432.db2.gz IIKJTYQCJFCZEW-UHFFFAOYSA-N 2 1 355.457 3.192 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097514 504966037 /nfs/dbraw/zinc/96/60/37/504966037.db2.gz RMVUJIOZMXLRAM-DHIUTWEWSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550097514 504966040 /nfs/dbraw/zinc/96/60/40/504966040.db2.gz RMVUJIOZMXLRAM-DHIUTWEWSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550097514 504966043 /nfs/dbraw/zinc/96/60/43/504966043.db2.gz RMVUJIOZMXLRAM-DHIUTWEWSA-N 2 1 368.496 3.327 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000562878776 504974132 /nfs/dbraw/zinc/97/41/32/504974132.db2.gz ZZUBUVQAHTUPPP-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC000556870585 505001412 /nfs/dbraw/zinc/00/14/12/505001412.db2.gz GRHGWPKYRNRHIM-ZRBLBEILSA-N 2 1 371.569 3.370 20 0 FGADMP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556884071 505005851 /nfs/dbraw/zinc/00/58/51/505005851.db2.gz PIZLLRBUUAFKHK-NJDAHSKKSA-N 2 1 367.541 3.121 20 0 FGADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[C@H](C)C1 ZINC000556950631 505027873 /nfs/dbraw/zinc/02/78/73/505027873.db2.gz IGMPVIVVEHMZHQ-AZUAARDMSA-N 2 1 359.562 3.409 20 0 FGADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[C@H](C)C1 ZINC000556950631 505027877 /nfs/dbraw/zinc/02/78/77/505027877.db2.gz IGMPVIVVEHMZHQ-AZUAARDMSA-N 2 1 359.562 3.409 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000563198349 505072967 /nfs/dbraw/zinc/07/29/67/505072967.db2.gz SNCDGUUUUHEYOC-QHCPKHFHSA-N 2 1 365.521 3.074 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199086 505074369 /nfs/dbraw/zinc/07/43/69/505074369.db2.gz RHZRFKBCLAKIBZ-ZWKOTPCHSA-N 2 1 357.542 3.079 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H]1c1ccccc1 ZINC000550644636 505077714 /nfs/dbraw/zinc/07/77/14/505077714.db2.gz VWUUUXPWZHQWCO-SFTDATJTSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H]1c1ccccc1 ZINC000550644636 505077717 /nfs/dbraw/zinc/07/77/17/505077717.db2.gz VWUUUXPWZHQWCO-SFTDATJTSA-N 2 1 372.534 3.156 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N(C(C)C)C(C)C)C2)s1 ZINC000563218987 505078721 /nfs/dbraw/zinc/07/87/21/505078721.db2.gz YJDFHYRQAXVHLG-GOSISDBHSA-N 2 1 365.587 3.456 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109018 505083919 /nfs/dbraw/zinc/08/39/19/505083919.db2.gz JWMLNTRRFSVLQH-IBGZPJMESA-N 2 1 367.493 3.149 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000557194186 505089976 /nfs/dbraw/zinc/08/99/76/505089976.db2.gz ZWVCNQNDUWEBRI-BEFAXECRSA-N 2 1 369.513 3.319 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000560521588 505112811 /nfs/dbraw/zinc/11/28/11/505112811.db2.gz VZKCIKQXCAQOAT-RYTOZCKSSA-N 2 1 369.553 3.311 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000566230337 505119228 /nfs/dbraw/zinc/11/92/28/505119228.db2.gz FBNKKJAFEZNRBA-KRWDZBQOSA-N 2 1 358.404 3.212 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000566230337 505119229 /nfs/dbraw/zinc/11/92/29/505119229.db2.gz FBNKKJAFEZNRBA-KRWDZBQOSA-N 2 1 358.404 3.212 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245234 505121665 /nfs/dbraw/zinc/12/16/65/505121665.db2.gz MUKZUZBULPJOEF-TXPKVOOTSA-N 2 1 363.571 3.273 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000566244376 505121793 /nfs/dbraw/zinc/12/17/93/505121793.db2.gz UWRPCEAHAMJTFC-ILWGZMRPSA-N 2 1 363.505 3.279 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@@H]21 ZINC000566244376 505121796 /nfs/dbraw/zinc/12/17/96/505121796.db2.gz UWRPCEAHAMJTFC-ILWGZMRPSA-N 2 1 363.505 3.279 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)C[C@@H]1c1ccccc1 ZINC000551085640 505153570 /nfs/dbraw/zinc/15/35/70/505153570.db2.gz DKUGRLOVAWMOFP-QZTJIDSGSA-N 2 1 357.523 3.293 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccs2)C[C@@H]1c1ccccc1 ZINC000551085640 505153573 /nfs/dbraw/zinc/15/35/73/505153573.db2.gz DKUGRLOVAWMOFP-QZTJIDSGSA-N 2 1 357.523 3.293 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000566438727 505176650 /nfs/dbraw/zinc/17/66/50/505176650.db2.gz NHKVJBZBYHSEIM-QGZVFWFLSA-N 2 1 351.922 3.322 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000563669616 505206750 /nfs/dbraw/zinc/20/67/50/505206750.db2.gz HZJKJBVEIZYZLC-UYAOXDASSA-N 2 1 373.541 3.275 20 0 FGADMP OC[C@@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000560909277 505209567 /nfs/dbraw/zinc/20/95/67/505209567.db2.gz KAIDOZVTWZBVFF-JOCHJYFZSA-N 2 1 374.475 3.165 20 0 FGADMP COc1ncc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529067 505245286 /nfs/dbraw/zinc/24/52/86/505245286.db2.gz AOQQDHOEPMTZNX-QLFBSQMISA-N 2 1 355.910 3.284 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000561137460 505259883 /nfs/dbraw/zinc/25/98/83/505259883.db2.gz IHEDMCCJKASCCY-SFHVURJKSA-N 2 1 372.557 3.331 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881274 505265651 /nfs/dbraw/zinc/26/56/51/505265651.db2.gz FDPWHKLUVVXKDJ-HNAYVOBHSA-N 2 1 358.511 3.144 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881274 505265655 /nfs/dbraw/zinc/26/56/55/505265655.db2.gz FDPWHKLUVVXKDJ-HNAYVOBHSA-N 2 1 358.511 3.144 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043330 505294750 /nfs/dbraw/zinc/29/47/50/505294750.db2.gz XHIFKUORDGCKBS-PXNSSMCTSA-N 2 1 358.530 3.253 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc([C@H](C)[NH3+])cc3)cc2)CC1 ZINC000564080295 505320030 /nfs/dbraw/zinc/32/00/30/505320030.db2.gz CFGAAOFGZIRWRW-KRWDZBQOSA-N 2 1 366.509 3.096 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cnc2ccsc2c1 ZINC000558165963 505325016 /nfs/dbraw/zinc/32/50/16/505325016.db2.gz PUSCKAOIUIOYNV-CQSZACIVSA-N 2 1 356.495 3.483 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117752 505330087 /nfs/dbraw/zinc/33/00/87/505330087.db2.gz MFFVRKRRQRUOBL-KBXCAEBGSA-N 2 1 369.912 3.353 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117752 505330088 /nfs/dbraw/zinc/33/00/88/505330088.db2.gz MFFVRKRRQRUOBL-KBXCAEBGSA-N 2 1 369.912 3.353 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294118 505374716 /nfs/dbraw/zinc/37/47/16/505374716.db2.gz WMQOGSIDKWGYOH-HKUYNNGSSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294118 505374719 /nfs/dbraw/zinc/37/47/19/505374719.db2.gz WMQOGSIDKWGYOH-HKUYNNGSSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294118 505374722 /nfs/dbraw/zinc/37/47/22/505374722.db2.gz WMQOGSIDKWGYOH-HKUYNNGSSA-N 2 1 352.544 3.353 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)cn1C ZINC000564298700 505376238 /nfs/dbraw/zinc/37/62/38/505376238.db2.gz NBKGLWKKKBVZFP-KRWDZBQOSA-N 2 1 369.509 3.476 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000558404911 505379250 /nfs/dbraw/zinc/37/92/50/505379250.db2.gz PGZGCYKKOSCSPY-FGZHOGPDSA-N 2 1 351.494 3.160 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CCCNc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000558404911 505379253 /nfs/dbraw/zinc/37/92/53/505379253.db2.gz PGZGCYKKOSCSPY-FGZHOGPDSA-N 2 1 351.494 3.160 20 0 FGADMP Cc1sccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000552042388 505379281 /nfs/dbraw/zinc/37/92/81/505379281.db2.gz CHFAJNJFSBWFNQ-HOTGVXAUSA-N 2 1 352.544 3.147 20 0 FGADMP CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000552065483 505387960 /nfs/dbraw/zinc/38/79/60/505387960.db2.gz BKUQJLUPQXRJPI-CBPXPLCBSA-N 2 1 358.526 3.072 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3c(O)cccc32)c2cccs2)CC1 ZINC000555245320 505390239 /nfs/dbraw/zinc/39/02/39/505390239.db2.gz LKJZNYDTXBFEIW-OALUTQOASA-N 2 1 371.550 3.409 20 0 FGADMP CCc1ncc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000552080281 505393631 /nfs/dbraw/zinc/39/36/31/505393631.db2.gz ZKJUWFTWQBMOKU-UHFFFAOYSA-N 2 1 364.603 3.334 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(Cl)c1OC ZINC000567223692 505399717 /nfs/dbraw/zinc/39/97/17/505399717.db2.gz UVBSTLFQXXJXTB-ARFHVFGLSA-N 2 1 352.906 3.362 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000567223067 505399829 /nfs/dbraw/zinc/39/98/29/505399829.db2.gz XWUYOCUTCYYUPZ-HXUWFJFHSA-N 2 1 360.546 3.228 20 0 FGADMP CSc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000561727354 505419352 /nfs/dbraw/zinc/41/93/52/505419352.db2.gz UAJZVTFPBIPKFU-OLMMMNRUSA-N 2 1 363.571 3.389 20 0 FGADMP CC[C@@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598501 505468901 /nfs/dbraw/zinc/46/89/01/505468901.db2.gz WCSDLSASDVHYAX-QUCCMNQESA-N 2 1 363.933 3.325 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000552356259 505471038 /nfs/dbraw/zinc/47/10/38/505471038.db2.gz KHVHWSVIDQTZNK-QHCPKHFHSA-N 2 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000552356259 505471042 /nfs/dbraw/zinc/47/10/42/505471042.db2.gz KHVHWSVIDQTZNK-QHCPKHFHSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)CC1 ZINC000552356259 505471049 /nfs/dbraw/zinc/47/10/49/505471049.db2.gz KHVHWSVIDQTZNK-QHCPKHFHSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000552356259 505471053 /nfs/dbraw/zinc/47/10/53/505471053.db2.gz KHVHWSVIDQTZNK-QHCPKHFHSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000552356259 505471056 /nfs/dbraw/zinc/47/10/56/505471056.db2.gz KHVHWSVIDQTZNK-QHCPKHFHSA-N 3 1 370.585 3.136 20 0 FGADMP C[NH+](C)CCCCC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000552369726 505475241 /nfs/dbraw/zinc/47/52/41/505475241.db2.gz BXGDKZQZVKZUAD-FQEVSTJZSA-N 2 1 359.558 3.308 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000567589416 505507669 /nfs/dbraw/zinc/50/76/69/505507669.db2.gz OYPCMNLVJHXFOD-ZDUSSCGKSA-N 2 1 361.287 3.077 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000567589416 505507671 /nfs/dbraw/zinc/50/76/71/505507671.db2.gz OYPCMNLVJHXFOD-ZDUSSCGKSA-N 2 1 361.287 3.077 20 0 FGADMP C[C@H]1C[N@@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000564789358 505521060 /nfs/dbraw/zinc/52/10/60/505521060.db2.gz ABJYMYCBVGXUHW-UGKGYDQZSA-N 2 1 357.586 3.484 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000564793381 505521785 /nfs/dbraw/zinc/52/17/85/505521785.db2.gz GEIRESNIVJEHBA-XLIONFOSSA-N 2 1 360.542 3.106 20 0 FGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564931343 505560738 /nfs/dbraw/zinc/56/07/38/505560738.db2.gz GOLIQQQOTGJWMN-LEWJYISDSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@H]1CCCOC1 ZINC000567790155 505563117 /nfs/dbraw/zinc/56/31/17/505563117.db2.gz QEEZJJOTWQOQGK-YUBLJMCLSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H]1[C@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790155 505563119 /nfs/dbraw/zinc/56/31/19/505563119.db2.gz QEEZJJOTWQOQGK-YUBLJMCLSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H]1[C@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790155 505563121 /nfs/dbraw/zinc/56/31/21/505563121.db2.gz QEEZJJOTWQOQGK-YUBLJMCLSA-N 2 1 364.574 3.405 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cn1C ZINC000589168605 506467210 /nfs/dbraw/zinc/46/72/10/506467210.db2.gz GAXRFSXODPYZET-QGZVFWFLSA-N 2 1 369.509 3.333 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000582909874 506485172 /nfs/dbraw/zinc/48/51/72/506485172.db2.gz YSWFYJUZLDMHLT-UHFFFAOYSA-N 2 1 354.376 3.316 20 0 FGADMP Brc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517243 506539151 /nfs/dbraw/zinc/53/91/51/506539151.db2.gz KJEZDYBHEVKFPQ-KRWDZBQOSA-N 2 1 353.304 3.182 20 0 FGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1OC ZINC000603517472 506539862 /nfs/dbraw/zinc/53/98/62/506539862.db2.gz YGFKQGYNMBPOKW-LJQANCHMSA-N 2 1 362.514 3.217 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630951 506540746 /nfs/dbraw/zinc/54/07/46/506540746.db2.gz LEUZGKVCZBGPEB-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000599630951 506540749 /nfs/dbraw/zinc/54/07/49/506540749.db2.gz LEUZGKVCZBGPEB-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000599630951 506540755 /nfs/dbraw/zinc/54/07/55/506540755.db2.gz LEUZGKVCZBGPEB-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000593353287 506566657 /nfs/dbraw/zinc/56/66/57/506566657.db2.gz STKDGGOGQFBDIP-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593727 506569209 /nfs/dbraw/zinc/56/92/09/506569209.db2.gz XQNYUYYADBNWNN-MJGOQNOKSA-N 2 1 358.530 3.043 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCc2ccccc2C1)c1ccccc1 ZINC000589994525 506700153 /nfs/dbraw/zinc/70/01/53/506700153.db2.gz JEUJSQPDCMWNJI-JOCHJYFZSA-N 2 1 365.521 3.244 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000589994525 506700162 /nfs/dbraw/zinc/70/01/62/506700162.db2.gz JEUJSQPDCMWNJI-JOCHJYFZSA-N 2 1 365.521 3.244 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317082 506713543 /nfs/dbraw/zinc/71/35/43/506713543.db2.gz PHNAJNUKHHTGMK-IEBWSBKVSA-N 2 1 363.505 3.229 20 0 FGADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000583316576 506713657 /nfs/dbraw/zinc/71/36/57/506713657.db2.gz WHCVNDUDQKWYJI-HSALFYBXSA-N 2 1 371.456 3.260 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171438 506734930 /nfs/dbraw/zinc/73/49/30/506734930.db2.gz KWQFAVUUQZGZJW-TZIWHRDSSA-N 2 1 372.557 3.245 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184570 506740720 /nfs/dbraw/zinc/74/07/20/506740720.db2.gz XSBVKBVDOZYUBN-TZIWHRDSSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014388 506746826 /nfs/dbraw/zinc/74/68/26/506746826.db2.gz UDWAXSXZZMXSTE-COPCDDAFSA-N 2 1 369.553 3.073 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+]1CCCC1 ZINC000590154376 506751026 /nfs/dbraw/zinc/75/10/26/506751026.db2.gz FDIBJEKKMVHWME-LJQANCHMSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000583597300 506867583 /nfs/dbraw/zinc/86/75/83/506867583.db2.gz CZAZMNLXPKUFPG-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000583597300 506867590 /nfs/dbraw/zinc/86/75/90/506867590.db2.gz CZAZMNLXPKUFPG-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000583597300 506867599 /nfs/dbraw/zinc/86/75/99/506867599.db2.gz CZAZMNLXPKUFPG-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000604773512 506938246 /nfs/dbraw/zinc/93/82/46/506938246.db2.gz RPEBXFAMNGIAST-WMLDXEAASA-N 2 1 353.938 3.301 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000604784935 506943287 /nfs/dbraw/zinc/94/32/87/506943287.db2.gz HTRIHBKJLMCYFF-HKUYNNGSSA-N 2 1 362.562 3.173 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000583755120 506955049 /nfs/dbraw/zinc/95/50/49/506955049.db2.gz FCJJUTVNORTAQE-SFHVURJKSA-N 2 1 357.542 3.223 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c2ccccc2)CC1 ZINC000590786515 506956294 /nfs/dbraw/zinc/95/62/94/506956294.db2.gz FMRODTYNCWIIPJ-OALUTQOASA-N 2 1 359.558 3.347 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000590786751 506957842 /nfs/dbraw/zinc/95/78/42/506957842.db2.gz LDYTWRVXBKYDTR-UHFFFAOYSA-N 2 1 361.555 3.178 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000590786751 506957847 /nfs/dbraw/zinc/95/78/47/506957847.db2.gz LDYTWRVXBKYDTR-UHFFFAOYSA-N 2 1 361.555 3.178 20 0 FGADMP CC(C)c1[nH+]c(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c2ccccn21 ZINC000583876191 507024511 /nfs/dbraw/zinc/02/45/11/507024511.db2.gz JENKHTVVXNUORN-NHCUHLMSSA-N 2 1 370.541 3.315 20 0 FGADMP Cn1c[nH+]cc1CCCN1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1 ZINC000583942946 507062496 /nfs/dbraw/zinc/06/24/96/507062496.db2.gz SRACWUSJXHCMKO-KRWDZBQOSA-N 2 1 369.387 3.325 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000584017476 507104436 /nfs/dbraw/zinc/10/44/36/507104436.db2.gz ULZFDEPINGJVQT-SFHVURJKSA-N 2 1 362.514 3.281 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1cccc(OC)c1 ZINC000591095398 507112481 /nfs/dbraw/zinc/11/24/81/507112481.db2.gz KCTYJTVZNQMCIY-WOJBJXKFSA-N 2 1 361.530 3.069 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491387 507117413 /nfs/dbraw/zinc/11/74/13/507117413.db2.gz PLWVZYREPWRNDM-NRFANRHFSA-N 2 1 362.558 3.487 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250524 507162142 /nfs/dbraw/zinc/16/21/42/507162142.db2.gz ZDCIBPHLPZKNKN-WMZOPIPTSA-N 2 1 367.484 3.449 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605403249 507177493 /nfs/dbraw/zinc/17/74/93/507177493.db2.gz BZOUCFQSEMZVNW-KSZLIROESA-N 2 1 366.509 3.343 20 0 FGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000584188199 507201133 /nfs/dbraw/zinc/20/11/33/507201133.db2.gz SKUJOICQCSJSII-BUMZBHGASA-N 2 1 362.583 3.424 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000594616782 507215168 /nfs/dbraw/zinc/21/51/68/507215168.db2.gz JIIKWUIZBLFCBO-FQEVSTJZSA-N 2 1 374.525 3.329 20 0 FGADMP C[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000605506653 507223946 /nfs/dbraw/zinc/22/39/46/507223946.db2.gz YTNNNTGICKSAJZ-LAUBAEHRSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000605506653 507223954 /nfs/dbraw/zinc/22/39/54/507223954.db2.gz YTNNNTGICKSAJZ-LAUBAEHRSA-N 2 1 357.542 3.060 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000594734823 507259692 /nfs/dbraw/zinc/25/96/92/507259692.db2.gz FSVSEEZMNLNTSO-FQEVSTJZSA-N 2 1 374.525 3.067 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000584341712 507291817 /nfs/dbraw/zinc/29/18/17/507291817.db2.gz JOBFEEVNPOSJHC-OTWHNJEPSA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000584341712 507291825 /nfs/dbraw/zinc/29/18/25/507291825.db2.gz JOBFEEVNPOSJHC-OTWHNJEPSA-N 2 1 353.514 3.141 20 0 FGADMP C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000605887829 507297047 /nfs/dbraw/zinc/29/70/47/507297047.db2.gz SNQCYQWIOZTPNA-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000605887829 507297051 /nfs/dbraw/zinc/29/70/51/507297051.db2.gz SNQCYQWIOZTPNA-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000605887829 507297056 /nfs/dbraw/zinc/29/70/56/507297056.db2.gz SNQCYQWIOZTPNA-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000605887829 507297063 /nfs/dbraw/zinc/29/70/63/507297063.db2.gz SNQCYQWIOZTPNA-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[S@@](=O)c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000610658167 507334137 /nfs/dbraw/zinc/33/41/37/507334137.db2.gz IJHUJMGQLITTBM-RUZDIDTESA-N 2 1 356.535 3.221 20 0 FGADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000610658167 507334142 /nfs/dbraw/zinc/33/41/42/507334142.db2.gz IJHUJMGQLITTBM-RUZDIDTESA-N 2 1 356.535 3.221 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1 ZINC000595061529 507373019 /nfs/dbraw/zinc/37/30/19/507373019.db2.gz ORAFYRDFXOBDHL-DUHPJZPXSA-N 2 1 362.583 3.361 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(I)cc2)[C@@H](C)C1 ZINC000595095626 507389478 /nfs/dbraw/zinc/38/94/78/507389478.db2.gz RTPXMXSJFHAOLX-XJKSGUPXSA-N 2 1 372.294 3.154 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1[C@H](C)CC[C@H]1C ZINC000606534262 507436222 /nfs/dbraw/zinc/43/62/22/507436222.db2.gz DHBAMBPKGHRPDJ-QQXKLLMISA-N 2 1 373.541 3.496 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662076 507473712 /nfs/dbraw/zinc/47/37/12/507473712.db2.gz MAZQZGAFDJGXMT-RTWAWAEBSA-N 2 1 372.557 3.114 20 0 FGADMP C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703612 507488390 /nfs/dbraw/zinc/48/83/90/507488390.db2.gz YBKAJQJVAHYSSQ-FHWLQOOXSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000602127396 507601223 /nfs/dbraw/zinc/60/12/23/507601223.db2.gz NBAKWDGGDUOPJC-SFTDATJTSA-N 2 1 359.558 3.130 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2nccc3ccccc32)c2cccs2)CC1 ZINC000607166379 507641457 /nfs/dbraw/zinc/64/14/57/507641457.db2.gz CKGMTWDMXBUTID-FQEVSTJZSA-N 2 1 366.534 3.375 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000607180525 507646498 /nfs/dbraw/zinc/64/64/98/507646498.db2.gz ZFBYBCTUAUCDBG-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000607180525 507646502 /nfs/dbraw/zinc/64/65/02/507646502.db2.gz ZFBYBCTUAUCDBG-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000607180525 507646505 /nfs/dbraw/zinc/64/65/05/507646505.db2.gz ZFBYBCTUAUCDBG-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614836530 507669842 /nfs/dbraw/zinc/66/98/42/507669842.db2.gz VQHSGBKTGYVAST-CEMLEFRQSA-N 2 1 369.553 3.026 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000607279759 507675292 /nfs/dbraw/zinc/67/52/92/507675292.db2.gz NGCYBHCORISQSK-FCEWJHQRSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000607279759 507675295 /nfs/dbraw/zinc/67/52/95/507675295.db2.gz NGCYBHCORISQSK-FCEWJHQRSA-N 2 1 363.933 3.466 20 0 FGADMP Cc1cc(NC(=O)CC[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)no1 ZINC000515346980 517311011 /nfs/dbraw/zinc/31/10/11/517311011.db2.gz KHJVDPOBUPSKPZ-INIZCTEOSA-N 2 1 370.497 3.476 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[C@H]1[NH3+] ZINC000669117819 568035397 /nfs/dbraw/zinc/03/53/97/568035397.db2.gz SSFUNVVIOOXMPZ-WAOWUJCRSA-N 2 1 372.557 3.330 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123976 568082435 /nfs/dbraw/zinc/08/24/35/568082435.db2.gz LDCPSUMZFIXVCN-BVSLBCMMSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123976 568082436 /nfs/dbraw/zinc/08/24/36/568082436.db2.gz LDCPSUMZFIXVCN-BVSLBCMMSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123976 568082437 /nfs/dbraw/zinc/08/24/37/568082437.db2.gz LDCPSUMZFIXVCN-BVSLBCMMSA-N 2 1 371.569 3.130 20 0 FGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437909 599315167 /nfs/dbraw/zinc/31/51/67/599315167.db2.gz TYGQFJAULVHGCN-JKSUJKDBSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437909 599315169 /nfs/dbraw/zinc/31/51/69/599315169.db2.gz TYGQFJAULVHGCN-JKSUJKDBSA-N 2 1 363.469 3.065 20 0 FGADMP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275189 599337457 /nfs/dbraw/zinc/33/74/57/599337457.db2.gz HYMAUJFMXRGQPV-ZWKOTPCHSA-N 2 1 368.529 3.372 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000124722446 700724148 /nfs/dbraw/zinc/72/41/48/700724148.db2.gz HMSVRODWTCFOJK-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1CN(C)C(=O)OC(C)(C)C ZINC000124722446 700724151 /nfs/dbraw/zinc/72/41/51/700724151.db2.gz HMSVRODWTCFOJK-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158129880 705174036 /nfs/dbraw/zinc/17/40/36/705174036.db2.gz POIGLDIGEUICBT-CVEARBPZSA-N 2 1 351.922 3.169 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158129880 705174040 /nfs/dbraw/zinc/17/40/40/705174040.db2.gz POIGLDIGEUICBT-CVEARBPZSA-N 2 1 351.922 3.169 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000161614630 705278896 /nfs/dbraw/zinc/27/88/96/705278896.db2.gz RVLAQMZJNLFUMC-MRXNPFEDSA-N 2 1 350.503 3.245 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000173879907 705474588 /nfs/dbraw/zinc/47/45/88/705474588.db2.gz PSIPWNTZXKJQTR-QZTJIDSGSA-N 2 1 351.535 3.051 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000194263243 713516446 /nfs/dbraw/zinc/51/64/46/713516446.db2.gz BONSSBSTVLYQEN-UHFFFAOYSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[C@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000195188497 713548506 /nfs/dbraw/zinc/54/85/06/713548506.db2.gz LVIKBLASHMEEGY-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000247548859 713642130 /nfs/dbraw/zinc/64/21/30/713642130.db2.gz PSIPWNTZXKJQTR-ROUUACIJSA-N 2 1 351.535 3.051 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669252 713656132 /nfs/dbraw/zinc/65/61/32/713656132.db2.gz RGPBJNZLVJFRFH-YLJYHZDGSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669252 713656133 /nfs/dbraw/zinc/65/61/33/713656133.db2.gz RGPBJNZLVJFRFH-YLJYHZDGSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669252 713656134 /nfs/dbraw/zinc/65/61/34/713656134.db2.gz RGPBJNZLVJFRFH-YLJYHZDGSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000385286415 713983124 /nfs/dbraw/zinc/98/31/24/713983124.db2.gz MYJGIUSOTSWLGJ-ZWKOTPCHSA-N 2 1 351.535 3.429 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000386561486 713985374 /nfs/dbraw/zinc/98/53/74/713985374.db2.gz JFBXWUNDEMNZHH-OKZBNKHCSA-N 2 1 353.551 3.484 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474712408 714083770 /nfs/dbraw/zinc/08/37/70/714083770.db2.gz JZZBAVRFYKFHSP-HZPDHXFCSA-N 2 1 365.949 3.364 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000488281753 714100842 /nfs/dbraw/zinc/10/08/42/714100842.db2.gz PIPDONGXZMVCER-UHFFFAOYSA-N 2 1 357.951 3.072 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523855415 714256079 /nfs/dbraw/zinc/25/60/79/714256079.db2.gz JKKASHONUCESML-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523855415 714256080 /nfs/dbraw/zinc/25/60/80/714256080.db2.gz JKKASHONUCESML-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000523910247 714258326 /nfs/dbraw/zinc/25/83/26/714258326.db2.gz GKQDXGJBNNMIHC-ZWKOTPCHSA-N 2 1 354.583 3.307 20 0 FGADMP C(CC[NH+]1CCOCC12CCCC2)CC[N@H+]1CCOCC12CCCC2 ZINC000535678634 714429999 /nfs/dbraw/zinc/42/99/99/714429999.db2.gz BFYZLFYVHNKMLS-UHFFFAOYSA-N 2 1 350.547 3.447 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920116 714471112 /nfs/dbraw/zinc/47/11/12/714471112.db2.gz BMMLTEHRQNYOJX-YZGWKJHDSA-N 2 1 361.917 3.478 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000643064124 718003697 /nfs/dbraw/zinc/00/36/97/718003697.db2.gz MBGCEWUTYLAMJZ-PBHICJAKSA-N 2 1 365.905 3.141 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2c(F)cccc2F)c2cccs2)CC1 ZINC000620437021 714916126 /nfs/dbraw/zinc/91/61/26/714916126.db2.gz REYWFOHFCQCSLR-KRWDZBQOSA-N 2 1 351.466 3.105 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccc(Cl)cc1 ZINC000620937743 714950951 /nfs/dbraw/zinc/95/09/51/714950951.db2.gz ALUADIKGJWMYMO-LJQANCHMSA-N 2 1 363.933 3.181 20 0 FGADMP Brc1ccc([C@H]([NH2+]CCC[NH2+]C2CC2)[C@@H]2CCCO2)cc1 ZINC000643545117 718038683 /nfs/dbraw/zinc/03/86/83/718038683.db2.gz UZRZPQVKLUGKTJ-IRXDYDNUSA-N 2 1 353.304 3.401 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623360610 715318233 /nfs/dbraw/zinc/31/82/33/715318233.db2.gz QRMSBASYQBXBAA-NVXWUHKLSA-N 2 1 350.503 3.244 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623360610 715318240 /nfs/dbraw/zinc/31/82/40/715318240.db2.gz QRMSBASYQBXBAA-NVXWUHKLSA-N 2 1 350.503 3.244 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392698 715325668 /nfs/dbraw/zinc/32/56/68/715325668.db2.gz NAWCVZFWFIMTIL-HNNXBMFYSA-N 2 1 368.319 3.240 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396342 715326693 /nfs/dbraw/zinc/32/66/93/715326693.db2.gz PCZRERHOGGFLFH-HOTGVXAUSA-N 2 1 351.922 3.390 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccsc1 ZINC000623409333 715329618 /nfs/dbraw/zinc/32/96/18/715329618.db2.gz ZDKAMYZSCABXFZ-ZWKOTPCHSA-N 2 1 364.559 3.057 20 0 FGADMP C[N@H+]1CC[C@@H](N[C@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488155 715346222 /nfs/dbraw/zinc/34/62/22/715346222.db2.gz JVGHGRZQOZDABX-CZUORRHYSA-N 2 1 355.320 3.335 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507697 715350347 /nfs/dbraw/zinc/35/03/47/715350347.db2.gz WNQIANSFEADJIK-RDJZCZTQSA-N 2 1 369.347 3.063 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255876 715500375 /nfs/dbraw/zinc/50/03/75/715500375.db2.gz WNLBGFKUWDSSGZ-QRVBRYPASA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000624255876 715500385 /nfs/dbraw/zinc/50/03/85/715500385.db2.gz WNLBGFKUWDSSGZ-QRVBRYPASA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000624255876 715500394 /nfs/dbraw/zinc/50/03/94/715500394.db2.gz WNLBGFKUWDSSGZ-QRVBRYPASA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255876 715500399 /nfs/dbraw/zinc/50/03/99/715500399.db2.gz WNLBGFKUWDSSGZ-QRVBRYPASA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255876 715500406 /nfs/dbraw/zinc/50/04/06/715500406.db2.gz WNLBGFKUWDSSGZ-QRVBRYPASA-N 2 1 361.917 3.047 20 0 FGADMP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000625729545 715780934 /nfs/dbraw/zinc/78/09/34/715780934.db2.gz WBURWEBCMVAMCO-SFHVURJKSA-N 2 1 351.922 3.105 20 0 FGADMP CN(CCCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000625729545 715780937 /nfs/dbraw/zinc/78/09/37/715780937.db2.gz WBURWEBCMVAMCO-SFHVURJKSA-N 2 1 351.922 3.105 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165138 716119331 /nfs/dbraw/zinc/11/93/31/716119331.db2.gz NTRLNPWJBSMSPE-HNNXBMFYSA-N 2 1 358.448 3.273 20 0 FGADMP Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629580380 716311004 /nfs/dbraw/zinc/31/10/04/716311004.db2.gz ABYNPRIABRRJIV-DOTOQJQBSA-N 2 1 365.315 3.415 20 0 FGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000629592836 716314968 /nfs/dbraw/zinc/31/49/68/716314968.db2.gz DUOUDLTUMRYWKZ-CALCHBBNSA-N 2 1 356.297 3.253 20 0 FGADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000629592836 716314973 /nfs/dbraw/zinc/31/49/73/716314973.db2.gz DUOUDLTUMRYWKZ-CALCHBBNSA-N 2 1 356.297 3.253 20 0 FGADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977543 716373125 /nfs/dbraw/zinc/37/31/25/716373125.db2.gz KREKCYXNMNSATK-LIRRHRJNSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977543 716373131 /nfs/dbraw/zinc/37/31/31/716373131.db2.gz KREKCYXNMNSATK-LIRRHRJNSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977543 716373137 /nfs/dbraw/zinc/37/31/37/716373137.db2.gz KREKCYXNMNSATK-LIRRHRJNSA-N 2 1 367.896 3.072 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CCCOC)CC1)c1cccc(OC)c1OC ZINC000631575057 716644308 /nfs/dbraw/zinc/64/43/08/716644308.db2.gz PLHSCZIHRACBLE-GOSISDBHSA-N 2 1 350.503 3.245 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841747 716688331 /nfs/dbraw/zinc/68/83/31/716688331.db2.gz PDZDKABYDOSCQU-NTZNESFSSA-N 2 1 354.376 3.343 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841747 716688339 /nfs/dbraw/zinc/68/83/39/716688339.db2.gz PDZDKABYDOSCQU-NTZNESFSSA-N 2 1 354.376 3.343 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC000635188610 717152499 /nfs/dbraw/zinc/15/24/99/717152499.db2.gz OPMBENSRBNNCEF-QAPCUYQASA-N 2 1 351.922 3.181 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H]1c1cccs1 ZINC000635602423 717181144 /nfs/dbraw/zinc/18/11/44/717181144.db2.gz GYCQDNXTNWTTDN-WMZOPIPTSA-N 2 1 361.555 3.123 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)c(Br)c1 ZINC000639210591 717531896 /nfs/dbraw/zinc/53/18/96/717531896.db2.gz MYEISZXKYDPCMX-LBPRGKRZSA-N 2 1 373.310 3.474 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000645121347 718184342 /nfs/dbraw/zinc/18/43/42/718184342.db2.gz YAAPTQYEWYKARZ-QAPCUYQASA-N 2 1 366.937 3.068 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000645121347 718184345 /nfs/dbraw/zinc/18/43/45/718184345.db2.gz YAAPTQYEWYKARZ-QAPCUYQASA-N 2 1 366.937 3.068 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000645808380 718242954 /nfs/dbraw/zinc/24/29/54/718242954.db2.gz MNVPEIFVECKNLA-WBVHZDCISA-N 2 1 351.560 3.101 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292557 718275754 /nfs/dbraw/zinc/27/57/54/718275754.db2.gz MJMOGHUJAOCNEA-WBVHZDCISA-N 2 1 353.869 3.002 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292557 718275756 /nfs/dbraw/zinc/27/57/56/718275756.db2.gz MJMOGHUJAOCNEA-WBVHZDCISA-N 2 1 353.869 3.002 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975401 718390906 /nfs/dbraw/zinc/39/09/06/718390906.db2.gz ZVQDNPSEZJQEIL-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975700 718391046 /nfs/dbraw/zinc/39/10/46/718391046.db2.gz DTGHEKICNJICFB-RBSFLKMASA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975700 718391048 /nfs/dbraw/zinc/39/10/48/718391048.db2.gz DTGHEKICNJICFB-RBSFLKMASA-N 2 1 351.441 3.003 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976441 718391470 /nfs/dbraw/zinc/39/14/70/718391470.db2.gz ONVPCKPZNIULBF-DLBZAZTESA-N 2 1 361.555 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707381 718717402 /nfs/dbraw/zinc/71/74/02/718717402.db2.gz DVZLFYOCROEYFY-JJRVBVJISA-N 2 1 358.404 3.145 20 0 FGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707344 718717455 /nfs/dbraw/zinc/71/74/55/718717455.db2.gz DATKHWKSXLSXLB-RYQLBKOJSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708175 718718111 /nfs/dbraw/zinc/71/81/11/718718111.db2.gz UVWRAHKPDASCDP-JJRVBVJISA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708446 718718153 /nfs/dbraw/zinc/71/81/53/718718153.db2.gz ZPVVGPRVOSLIFC-PBFPGSCMSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724057 718721213 /nfs/dbraw/zinc/72/12/13/718721213.db2.gz XRODLVOULKHDRA-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP CC[NH+](CCCNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)C1CCCCC1 ZINC000651219697 718783807 /nfs/dbraw/zinc/78/38/07/718783807.db2.gz FMKFXDPKJLXYSW-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+](CC)C2CCCCC2)C1 ZINC000651219697 718783809 /nfs/dbraw/zinc/78/38/09/718783809.db2.gz FMKFXDPKJLXYSW-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+](CC)C2CCCCC2)C1 ZINC000651219697 718783812 /nfs/dbraw/zinc/78/38/12/718783812.db2.gz FMKFXDPKJLXYSW-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[NH2+]CC[C@@H]32)n1 ZINC001164410639 718876086 /nfs/dbraw/zinc/87/60/86/718876086.db2.gz FNHKGUNDXXYNEC-CABCVRRESA-N 2 1 359.543 3.091 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363958 718937301 /nfs/dbraw/zinc/93/73/01/718937301.db2.gz SVBLBJTXLYXISB-CSMYWGQOSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363958 718937303 /nfs/dbraw/zinc/93/73/03/718937303.db2.gz SVBLBJTXLYXISB-CSMYWGQOSA-N 2 1 371.294 3.449 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653106214 719013085 /nfs/dbraw/zinc/01/30/85/719013085.db2.gz XLRAWLCFIPXHDR-GBESFXJTSA-N 2 1 361.917 3.124 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000655387693 719289046 /nfs/dbraw/zinc/28/90/46/719289046.db2.gz NARDTUQVTXVPQJ-MRXNPFEDSA-N 2 1 351.922 3.368 20 0 FGADMP COCc1csc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000657430837 719648669 /nfs/dbraw/zinc/64/86/69/719648669.db2.gz VFPNDKYUWJJERV-LJQANCHMSA-N 2 1 360.523 3.141 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657595695 719681013 /nfs/dbraw/zinc/68/10/13/719681013.db2.gz RTDQBQATZQRSBA-KRWDZBQOSA-N 2 1 359.539 3.297 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)c1cccc(Cl)c1Cl ZINC000659296560 719892902 /nfs/dbraw/zinc/89/29/02/719892902.db2.gz GEJDFPRBDVDAMN-ZBFHGGJFSA-N 2 1 358.313 3.278 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc1Br ZINC000659315465 719895837 /nfs/dbraw/zinc/89/58/37/719895837.db2.gz SKSRPMBLZCIQLM-UHFFFAOYSA-N 2 1 366.303 3.111 20 0 FGADMP CC[C@H](CC(F)F)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000659911005 719955220 /nfs/dbraw/zinc/95/52/20/719955220.db2.gz BACCDLJWCJSQNY-GOSISDBHSA-N 2 1 353.501 3.417 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(Br)cc1)C2 ZINC000660652821 720091034 /nfs/dbraw/zinc/09/10/34/720091034.db2.gz MQISAQLFPMKBLJ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(Br)cc1)C2 ZINC000660652821 720091038 /nfs/dbraw/zinc/09/10/38/720091038.db2.gz MQISAQLFPMKBLJ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652821 720091041 /nfs/dbraw/zinc/09/10/41/720091041.db2.gz MQISAQLFPMKBLJ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652821 720091045 /nfs/dbraw/zinc/09/10/45/720091045.db2.gz MQISAQLFPMKBLJ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP Brc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258517 720405816 /nfs/dbraw/zinc/40/58/16/720405816.db2.gz JFULEXXAETWTPD-CZUORRHYSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283319 720409801 /nfs/dbraw/zinc/40/98/01/720409801.db2.gz HPPPPIIVVGMNKJ-FVQBIDKESA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283319 720409804 /nfs/dbraw/zinc/40/98/04/720409804.db2.gz HPPPPIIVVGMNKJ-FVQBIDKESA-N 2 1 358.404 3.288 20 0 FGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295850 720411354 /nfs/dbraw/zinc/41/13/54/720411354.db2.gz IAPWZMFXTZAIMO-MRXNPFEDSA-N 2 1 360.527 3.442 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295211 720411505 /nfs/dbraw/zinc/41/15/05/720411505.db2.gz FYTHBKYEAUEELA-VQIMIIECSA-N 2 1 361.917 3.157 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000662474430 720432303 /nfs/dbraw/zinc/43/23/03/720432303.db2.gz WYYBFIOABVTVJM-FRQCXROJSA-N 2 1 351.560 3.258 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512884 720437319 /nfs/dbraw/zinc/43/73/19/720437319.db2.gz MMFATCWSEJWNJE-RNJTYBCJSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512884 720437320 /nfs/dbraw/zinc/43/73/20/720437320.db2.gz MMFATCWSEJWNJE-RNJTYBCJSA-N 2 1 367.896 3.247 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662678400 720452031 /nfs/dbraw/zinc/45/20/31/720452031.db2.gz FDQXYVDOGQCRTE-GOSISDBHSA-N 2 1 361.917 3.268 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000665291955 720750992 /nfs/dbraw/zinc/75/09/92/720750992.db2.gz OVYDYIPWLMHUJI-INIZCTEOSA-N 2 1 355.269 3.435 20 0 FGADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000665291946 720751033 /nfs/dbraw/zinc/75/10/33/720751033.db2.gz ORCJYJCBSNDKNC-INIZCTEOSA-N 2 1 353.253 3.189 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000669937692 721504010 /nfs/dbraw/zinc/50/40/10/721504010.db2.gz OZWNBNXBILAZPZ-JTDSTZFVSA-N 2 1 357.523 3.178 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053921 721681489 /nfs/dbraw/zinc/68/14/89/721681489.db2.gz FLGHVHPZBZKIPW-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053921 721681490 /nfs/dbraw/zinc/68/14/90/721681490.db2.gz FLGHVHPZBZKIPW-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053921 721681491 /nfs/dbraw/zinc/68/14/91/721681491.db2.gz FLGHVHPZBZKIPW-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053921 721681492 /nfs/dbraw/zinc/68/14/92/721681492.db2.gz FLGHVHPZBZKIPW-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H](Cc1ccsc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460638 722386258 /nfs/dbraw/zinc/38/62/58/722386258.db2.gz DMHPTWPICSXKAB-KURKYZTESA-N 2 1 366.571 3.269 20 0 FGADMP C[C@H](Cc1ccsc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000685460638 722386259 /nfs/dbraw/zinc/38/62/59/722386259.db2.gz DMHPTWPICSXKAB-KURKYZTESA-N 2 1 366.571 3.269 20 0 FGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727978751 722449016 /nfs/dbraw/zinc/44/90/16/722449016.db2.gz PINRRINTTXQBLY-UHFFFAOYSA-N 2 1 360.571 3.429 20 0 FGADMP O=C(CCCC[NH+]1CCCC1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000729350219 722459105 /nfs/dbraw/zinc/45/91/05/722459105.db2.gz GFZXALYJWOHEHF-UHFFFAOYSA-N 2 1 361.555 3.440 20 0 FGADMP c1csc(C[N@H+]2CCC[C@@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)c1 ZINC000733188694 722493583 /nfs/dbraw/zinc/49/35/83/722493583.db2.gz LBYCRWFDVUJOIH-INIZCTEOSA-N 2 1 357.527 3.462 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)c1 ZINC000733188694 722493584 /nfs/dbraw/zinc/49/35/84/722493584.db2.gz LBYCRWFDVUJOIH-INIZCTEOSA-N 2 1 357.527 3.462 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886771 722539228 /nfs/dbraw/zinc/53/92/28/722539228.db2.gz ZJKWFLWLJKLAGY-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886771 722539229 /nfs/dbraw/zinc/53/92/29/722539229.db2.gz ZJKWFLWLJKLAGY-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886771 722539230 /nfs/dbraw/zinc/53/92/30/722539230.db2.gz ZJKWFLWLJKLAGY-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000742385864 722556701 /nfs/dbraw/zinc/55/67/01/722556701.db2.gz ZAORDRRSKBIJJJ-SJLPKXTDSA-N 2 1 353.551 3.344 20 0 FGADMP CCc1ccc(NC(=S)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000751009971 722790608 /nfs/dbraw/zinc/79/06/08/722790608.db2.gz FKIWVASREPZGRB-IBGZPJMESA-N 2 1 362.587 3.294 20 0 FGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107195 722974642 /nfs/dbraw/zinc/97/46/42/722974642.db2.gz TZJKSYZRQHIOSH-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107195 722974643 /nfs/dbraw/zinc/97/46/43/722974643.db2.gz TZJKSYZRQHIOSH-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107195 722974644 /nfs/dbraw/zinc/97/46/44/722974644.db2.gz TZJKSYZRQHIOSH-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107193 722974670 /nfs/dbraw/zinc/97/46/70/722974670.db2.gz TZJKSYZRQHIOSH-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107193 722974671 /nfs/dbraw/zinc/97/46/71/722974671.db2.gz TZJKSYZRQHIOSH-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000757107193 722974672 /nfs/dbraw/zinc/97/46/72/722974672.db2.gz TZJKSYZRQHIOSH-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP Cc1c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483055 723247353 /nfs/dbraw/zinc/24/73/53/723247353.db2.gz OHQBXYBHVNVNMZ-ZDUSSCGKSA-N 2 1 362.543 3.207 20 0 FGADMP Cc1c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)sc2nc(C)nc(C)c12 ZINC000762483055 723247357 /nfs/dbraw/zinc/24/73/57/723247357.db2.gz OHQBXYBHVNVNMZ-ZDUSSCGKSA-N 2 1 362.543 3.207 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(C)c1OC(F)F ZINC000762483043 723247580 /nfs/dbraw/zinc/24/75/80/723247580.db2.gz OHCCOAILAKWPSZ-MRXNPFEDSA-N 2 1 356.457 3.495 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000762925973 723292886 /nfs/dbraw/zinc/29/28/86/723292886.db2.gz LNQCDAINVHTXDQ-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000762925973 723292890 /nfs/dbraw/zinc/29/28/90/723292890.db2.gz LNQCDAINVHTXDQ-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764469281 723415924 /nfs/dbraw/zinc/41/59/24/723415924.db2.gz OFFNEQUQIJXHFM-MAUKXSAKSA-N 2 1 369.525 3.459 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764469281 723415928 /nfs/dbraw/zinc/41/59/28/723415928.db2.gz OFFNEQUQIJXHFM-MAUKXSAKSA-N 2 1 369.525 3.459 20 0 FGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000764467881 723416129 /nfs/dbraw/zinc/41/61/29/723416129.db2.gz YZJNXEANJMBBRI-QFBILLFUSA-N 2 1 361.530 3.397 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=S)NCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000795092688 723562310 /nfs/dbraw/zinc/56/23/10/723562310.db2.gz UCLATXIVOYDORN-KRWDZBQOSA-N 2 1 370.994 3.139 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144740 723623492 /nfs/dbraw/zinc/62/34/92/723623492.db2.gz YJPGLTKIBJLKLN-AEFFLSMTSA-N 2 1 356.432 3.342 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144740 723623493 /nfs/dbraw/zinc/62/34/93/723623493.db2.gz YJPGLTKIBJLKLN-AEFFLSMTSA-N 2 1 356.432 3.342 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCN1C(=O)OC(C)(C)C ZINC000796358516 723634383 /nfs/dbraw/zinc/63/43/83/723634383.db2.gz GUBZQIWJWZSEMU-KGLIPLIRSA-N 2 1 368.547 3.082 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc(Cl)n1 ZINC000797594780 723839468 /nfs/dbraw/zinc/83/94/68/723839468.db2.gz URXZIQZMZGHUDM-INIZCTEOSA-N 2 1 364.946 3.183 20 0 FGADMP C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000798187885 723912063 /nfs/dbraw/zinc/91/20/63/723912063.db2.gz VFDJZKMTQRRMMW-JUVOFCAFSA-N 2 1 351.535 3.285 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(SC(F)F)cc1)C1CC[NH+](C)CC1 ZINC000774727301 723924195 /nfs/dbraw/zinc/92/41/95/723924195.db2.gz AQVKTCLQVMPHJN-UHFFFAOYSA-N 2 1 357.514 3.459 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000774991197 723949016 /nfs/dbraw/zinc/94/90/16/723949016.db2.gz XCAJQAIXLCHJQB-HNNXBMFYSA-N 2 1 367.331 3.348 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174764 723994933 /nfs/dbraw/zinc/99/49/33/723994933.db2.gz MTKJKCVBMLJPON-LPHOPBHVSA-N 2 1 354.922 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174764 723994938 /nfs/dbraw/zinc/99/49/38/723994938.db2.gz MTKJKCVBMLJPON-LPHOPBHVSA-N 2 1 354.922 3.196 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000799177664 723995389 /nfs/dbraw/zinc/99/53/89/723995389.db2.gz ZIWDSSKTQGICSA-GOSISDBHSA-N 2 1 361.917 3.253 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccccc4Cl)C3=O)C2)CC1 ZINC000799177664 723995391 /nfs/dbraw/zinc/99/53/91/723995391.db2.gz ZIWDSSKTQGICSA-GOSISDBHSA-N 2 1 361.917 3.253 20 0 FGADMP O[C@@H](C[NH2+][C@@H](c1cc(F)cc(Br)c1)C1CC1)C[NH+]1CCCC1 ZINC000775872586 724075856 /nfs/dbraw/zinc/07/58/56/724075856.db2.gz VSTBJTUMSVYDPX-DLBZAZTESA-N 2 1 371.294 3.086 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000801922290 724346752 /nfs/dbraw/zinc/34/67/52/724346752.db2.gz HKJSMQFHWXHTED-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000801922290 724346756 /nfs/dbraw/zinc/34/67/56/724346756.db2.gz HKJSMQFHWXHTED-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000801922290 724346758 /nfs/dbraw/zinc/34/67/58/724346758.db2.gz HKJSMQFHWXHTED-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000788508966 725069199 /nfs/dbraw/zinc/06/91/99/725069199.db2.gz WIDSVEWUZUIOEJ-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731495 725084302 /nfs/dbraw/zinc/08/43/02/725084302.db2.gz BTSDJZRSQHUDJQ-ROUUACIJSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731495 725084305 /nfs/dbraw/zinc/08/43/05/725084305.db2.gz BTSDJZRSQHUDJQ-ROUUACIJSA-N 2 1 357.885 3.079 20 0 FGADMP CCN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809639222 725254972 /nfs/dbraw/zinc/25/49/72/725254972.db2.gz JOQFYPFYHREUNY-GOSISDBHSA-N 2 1 358.555 3.301 20 0 FGADMP CCN(Cc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809639222 725254973 /nfs/dbraw/zinc/25/49/73/725254973.db2.gz JOQFYPFYHREUNY-GOSISDBHSA-N 2 1 358.555 3.301 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809945941 725277353 /nfs/dbraw/zinc/27/73/53/725277353.db2.gz IFPQGIFPYAISIP-BZSNNMDCSA-N 2 1 353.551 3.201 20 0 FGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548334 727174160 /nfs/dbraw/zinc/17/41/60/727174160.db2.gz DJBFVZSCZSDGLN-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548334 727174164 /nfs/dbraw/zinc/17/41/64/727174164.db2.gz DJBFVZSCZSDGLN-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085723 727346024 /nfs/dbraw/zinc/34/60/24/727346024.db2.gz WDHHSVWCEJYLAN-SCLBCKFNSA-N 2 1 373.324 3.117 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000823818572 729306682 /nfs/dbraw/zinc/30/66/82/729306682.db2.gz IDKUGTHSHPXXQS-ZWKOTPCHSA-N 2 1 355.567 3.493 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1ccccc1Br ZINC000832679774 729726732 /nfs/dbraw/zinc/72/67/32/729726732.db2.gz JYPWEMNJGACDTP-KRWDZBQOSA-N 2 1 355.320 3.290 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)c1ccccc1Br ZINC000832679774 729726733 /nfs/dbraw/zinc/72/67/33/729726733.db2.gz JYPWEMNJGACDTP-KRWDZBQOSA-N 2 1 355.320 3.290 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022115 730204157 /nfs/dbraw/zinc/20/41/57/730204157.db2.gz KLPNTNJKPZJRCJ-KEYYUXOJSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022115 730204160 /nfs/dbraw/zinc/20/41/60/730204160.db2.gz KLPNTNJKPZJRCJ-KEYYUXOJSA-N 2 1 353.304 3.211 20 0 FGADMP Ic1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126431 730588929 /nfs/dbraw/zinc/58/89/29/730588929.db2.gz REXLDUKNALCKDN-KBPBESRZSA-N 2 1 370.278 3.113 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000843358993 730610552 /nfs/dbraw/zinc/61/05/52/730610552.db2.gz ATCXXWJNKWPDMD-KGLIPLIRSA-N 2 1 364.515 3.193 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)n1 ZINC000843358993 730610556 /nfs/dbraw/zinc/61/05/56/730610556.db2.gz ATCXXWJNKWPDMD-KGLIPLIRSA-N 2 1 364.515 3.193 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364004 730610851 /nfs/dbraw/zinc/61/08/51/730610851.db2.gz JJGKEGYMEPRRMB-CQSZACIVSA-N 2 1 365.905 3.060 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364222 730610887 /nfs/dbraw/zinc/61/08/87/730610887.db2.gz SRRUYRXNHWCTQU-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363905 730611020 /nfs/dbraw/zinc/61/10/20/730611020.db2.gz SNVDPDLWLMZFTL-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844696206 730753097 /nfs/dbraw/zinc/75/30/97/730753097.db2.gz CQZJQVDPHPBNBZ-UHFFFAOYSA-N 2 1 358.873 3.050 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CN1CC(c2ccc(Cl)cc2)=CC1=O ZINC000844696206 730753099 /nfs/dbraw/zinc/75/30/99/730753099.db2.gz CQZJQVDPHPBNBZ-UHFFFAOYSA-N 2 1 358.873 3.050 20 0 FGADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846797806 730981368 /nfs/dbraw/zinc/98/13/68/730981368.db2.gz MCCWYNIHWZYHMO-QGZVFWFLSA-N 2 1 350.507 3.074 20 0 FGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000846797806 730981371 /nfs/dbraw/zinc/98/13/71/730981371.db2.gz MCCWYNIHWZYHMO-QGZVFWFLSA-N 2 1 350.507 3.074 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108037 731230186 /nfs/dbraw/zinc/23/01/86/731230186.db2.gz VDAMUGVWBCNRDT-CZUORRHYSA-N 2 1 356.436 3.407 20 0 FGADMP CC(C)c1cccc(NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000849276277 731240518 /nfs/dbraw/zinc/24/05/18/731240518.db2.gz GGZBHRPALITTID-INIZCTEOSA-N 2 1 350.576 3.368 20 0 FGADMP CC(C)c1cccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000849276277 731240520 /nfs/dbraw/zinc/24/05/20/731240520.db2.gz GGZBHRPALITTID-INIZCTEOSA-N 2 1 350.576 3.368 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850434005 731356992 /nfs/dbraw/zinc/35/69/92/731356992.db2.gz TWQRAYWKSVXOTH-KURKYZTESA-N 2 1 367.331 3.223 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850434005 731356995 /nfs/dbraw/zinc/35/69/95/731356995.db2.gz TWQRAYWKSVXOTH-KURKYZTESA-N 2 1 367.331 3.223 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534301 731370210 /nfs/dbraw/zinc/37/02/10/731370210.db2.gz LJASAKXJZBJTKH-AITUJVMLSA-N 2 1 350.453 3.301 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239511 731686269 /nfs/dbraw/zinc/68/62/69/731686269.db2.gz GYOUEAAGZMEELL-GDBMZVCRSA-N 2 1 364.921 3.164 20 0 FGADMP Cc1ncc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)s1 ZINC000856561852 732038752 /nfs/dbraw/zinc/03/87/52/732038752.db2.gz SRCKVRWVGWNQBB-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856561852 732038753 /nfs/dbraw/zinc/03/87/53/732038753.db2.gz SRCKVRWVGWNQBB-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856561852 732038756 /nfs/dbraw/zinc/03/87/56/732038756.db2.gz SRCKVRWVGWNQBB-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585111 732039925 /nfs/dbraw/zinc/03/99/25/732039925.db2.gz ZMIRUKMHQBUCJQ-MAUKXSAKSA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585111 732039928 /nfs/dbraw/zinc/03/99/28/732039928.db2.gz ZMIRUKMHQBUCJQ-MAUKXSAKSA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585111 732039931 /nfs/dbraw/zinc/03/99/31/732039931.db2.gz ZMIRUKMHQBUCJQ-MAUKXSAKSA-N 2 1 353.457 3.422 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000865437721 733200823 /nfs/dbraw/zinc/20/08/23/733200823.db2.gz CZGGDEPRYONFCT-XBMUEBEBSA-N 2 1 363.571 3.245 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000865437721 733200825 /nfs/dbraw/zinc/20/08/25/733200825.db2.gz CZGGDEPRYONFCT-XBMUEBEBSA-N 2 1 363.571 3.245 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819076 733274860 /nfs/dbraw/zinc/27/48/60/733274860.db2.gz BCYNYZHGTIVKPN-BPQIPLTHSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000866467776 733354173 /nfs/dbraw/zinc/35/41/73/733354173.db2.gz PZYIAVMCNLAVFS-ATIWLJMLSA-N 2 1 351.535 3.285 20 0 FGADMP CC1(C)CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)[NH2+]C1 ZINC000873234548 735741783 /nfs/dbraw/zinc/74/17/83/735741783.db2.gz GHUAXLXBKMYUCI-INIZCTEOSA-N 2 1 363.933 3.312 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000877584072 736688370 /nfs/dbraw/zinc/68/83/70/736688370.db2.gz BXFZWFBTHRJNFF-ZDUSSCGKSA-N 2 1 369.303 3.057 20 0 FGADMP Cc1cc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)sn1 ZINC000877645580 736699314 /nfs/dbraw/zinc/69/93/14/736699314.db2.gz PFFLHVWFNUTTSZ-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)sn1 ZINC000877645580 736699318 /nfs/dbraw/zinc/69/93/18/736699318.db2.gz PFFLHVWFNUTTSZ-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)sn1 ZINC000877645580 736699320 /nfs/dbraw/zinc/69/93/20/736699320.db2.gz PFFLHVWFNUTTSZ-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP C([C@@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878050130 736763697 /nfs/dbraw/zinc/76/36/97/736763697.db2.gz QWGPZKVOKLEQGV-UXHICEINSA-N 2 1 350.547 3.303 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(C(F)(F)F)co3)CC2)CC1 ZINC000878428563 736831113 /nfs/dbraw/zinc/83/11/13/736831113.db2.gz UVCKLZRTLJLYBD-UHFFFAOYSA-N 2 1 359.436 3.148 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576868 737009547 /nfs/dbraw/zinc/00/95/47/737009547.db2.gz YOGXTOUKQFDDFE-DOMZBBRYSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576868 737009553 /nfs/dbraw/zinc/00/95/53/737009553.db2.gz YOGXTOUKQFDDFE-DOMZBBRYSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576868 737009559 /nfs/dbraw/zinc/00/95/59/737009559.db2.gz YOGXTOUKQFDDFE-DOMZBBRYSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576868 737009562 /nfs/dbraw/zinc/00/95/62/737009562.db2.gz YOGXTOUKQFDDFE-DOMZBBRYSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576868 737009566 /nfs/dbraw/zinc/00/95/66/737009566.db2.gz YOGXTOUKQFDDFE-DOMZBBRYSA-N 2 1 356.297 3.348 20 0 FGADMP CCOC(=O)c1ncc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC000879703856 737035125 /nfs/dbraw/zinc/03/51/25/737035125.db2.gz ZVRBOFGOLFDYOH-UHFFFAOYSA-N 2 1 353.532 3.120 20 0 FGADMP OC[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886813885 739305383 /nfs/dbraw/zinc/30/53/83/739305383.db2.gz WZJYUXLZQSIKKU-GOSISDBHSA-N 2 1 356.432 3.419 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697412 740033817 /nfs/dbraw/zinc/03/38/17/740033817.db2.gz SDCIYIYYIKOCHQ-RBUKOAKNSA-N 2 1 350.478 3.250 20 0 FGADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737783 740039014 /nfs/dbraw/zinc/03/90/14/740039014.db2.gz KRISXJHTQHYMCQ-JQHSSLGASA-N 2 1 368.518 3.183 20 0 FGADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737783 740039019 /nfs/dbraw/zinc/03/90/19/740039019.db2.gz KRISXJHTQHYMCQ-JQHSSLGASA-N 2 1 368.518 3.183 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000894912917 742352770 /nfs/dbraw/zinc/35/27/70/742352770.db2.gz JWXSILWGIPMDTI-SFHVURJKSA-N 2 1 366.571 3.200 20 0 FGADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902390614 743739730 /nfs/dbraw/zinc/73/97/30/743739730.db2.gz OMCULOPYYCPPJZ-OAHLLOKOSA-N 2 1 358.935 3.001 20 0 FGADMP FC(F)(F)CN1CCC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)CC1 ZINC000903107078 743805627 /nfs/dbraw/zinc/80/56/27/743805627.db2.gz LJEHZMDYZWLQAA-ZNXRZULTSA-N 2 1 359.480 3.398 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC000903758769 743880968 /nfs/dbraw/zinc/88/09/68/743880968.db2.gz MHXGEYVGMWNPNC-HEHGZKQESA-N 2 1 371.344 3.416 20 0 FGADMP Fc1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769292 743881814 /nfs/dbraw/zinc/88/18/14/743881814.db2.gz BQGSJDGWTQLZBO-SJORKVTESA-N 2 1 350.453 3.303 20 0 FGADMP Fc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OCC(F)(F)F ZINC000903957005 743905311 /nfs/dbraw/zinc/90/53/11/743905311.db2.gz OWDRVUJYTRINTB-LLVKDONJSA-N 2 1 356.310 3.101 20 0 FGADMP CCCCCC[C@H](O)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923344754 759103845 /nfs/dbraw/zinc/10/38/45/759103845.db2.gz CYSDEWDJVXDARX-IRXDYDNUSA-N 2 1 351.560 3.419 20 0 FGADMP CCCCCC[C@H](O)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923344754 759103848 /nfs/dbraw/zinc/10/38/48/759103848.db2.gz CYSDEWDJVXDARX-IRXDYDNUSA-N 2 1 351.560 3.419 20 0 FGADMP C[C@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)c(Cl)c2)no1)[NH+](C)C ZINC000923919046 759211731 /nfs/dbraw/zinc/21/17/31/759211731.db2.gz COCSLDGMLPIQJQ-CYBMUJFWSA-N 2 1 363.893 3.155 20 0 FGADMP C[C@H](c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1)[NH+](C)C ZINC000923919046 759211734 /nfs/dbraw/zinc/21/17/34/759211734.db2.gz COCSLDGMLPIQJQ-CYBMUJFWSA-N 2 1 363.893 3.155 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000924965924 759424497 /nfs/dbraw/zinc/42/44/97/759424497.db2.gz QITFTORYGBQSOJ-QWHCGFSZSA-N 2 1 362.358 3.493 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000924965924 759424499 /nfs/dbraw/zinc/42/44/99/759424499.db2.gz QITFTORYGBQSOJ-QWHCGFSZSA-N 2 1 362.358 3.493 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000925834114 759554909 /nfs/dbraw/zinc/55/49/09/759554909.db2.gz VLKABRTXTCQZEQ-OXJNMPFZSA-N 2 1 355.507 3.367 20 0 FGADMP FC1(F)[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000926975648 759865207 /nfs/dbraw/zinc/86/52/07/759865207.db2.gz CSWUXLFVHNOQMO-QYZOEREBSA-N 2 1 350.453 3.268 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780128 760456034 /nfs/dbraw/zinc/45/60/34/760456034.db2.gz KWIIAYZBRGLAOJ-BDXSIMOUSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780128 760456046 /nfs/dbraw/zinc/45/60/46/760456046.db2.gz KWIIAYZBRGLAOJ-BDXSIMOUSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780128 760456051 /nfs/dbraw/zinc/45/60/51/760456051.db2.gz KWIIAYZBRGLAOJ-BDXSIMOUSA-N 2 1 353.551 3.484 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309684 760824777 /nfs/dbraw/zinc/82/47/77/760824777.db2.gz SCKASTWVYFDGRM-JOCLIGHLSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309684 760824791 /nfs/dbraw/zinc/82/47/91/760824791.db2.gz SCKASTWVYFDGRM-JOCLIGHLSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309684 760824795 /nfs/dbraw/zinc/82/47/95/760824795.db2.gz SCKASTWVYFDGRM-JOCLIGHLSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309684 760824811 /nfs/dbraw/zinc/82/48/11/760824811.db2.gz SCKASTWVYFDGRM-JOCLIGHLSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1[nH]c(C2CC[NH+](C[C@](C)(O)C(F)(F)C(F)(F)F)CC2)[nH+]c1C ZINC000931749893 760953034 /nfs/dbraw/zinc/95/30/34/760953034.db2.gz WLUVHAGUFHTBGQ-ZDUSSCGKSA-N 2 1 355.351 3.155 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@H+]1C ZINC000968728819 762841982 /nfs/dbraw/zinc/84/19/82/762841982.db2.gz ZACWYQUCENTAEF-BPLDGKMQSA-N 2 1 370.324 3.024 20 0 FGADMP C[C@@H](c1ccccc1Cl)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196623 763464542 /nfs/dbraw/zinc/46/45/42/763464542.db2.gz OICJXHQEBMKZQE-SOLBZPMBSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196623 763464549 /nfs/dbraw/zinc/46/45/49/763464549.db2.gz OICJXHQEBMKZQE-SOLBZPMBSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1ccccc1Cl)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196623 763464554 /nfs/dbraw/zinc/46/45/54/763464554.db2.gz OICJXHQEBMKZQE-SOLBZPMBSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1ccccc1Cl)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196623 763464557 /nfs/dbraw/zinc/46/45/57/763464557.db2.gz OICJXHQEBMKZQE-SOLBZPMBSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000997785737 765083150 /nfs/dbraw/zinc/08/31/50/765083150.db2.gz LPCFLBDDIJPFKS-CRAIPNDOSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](CCC(C)C)CC2)CC[N@H+]1C ZINC000998007579 765091679 /nfs/dbraw/zinc/09/16/79/765091679.db2.gz PJJYWHOJMIIVRP-SLFFLAALSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000998007579 765091686 /nfs/dbraw/zinc/09/16/86/765091686.db2.gz PJJYWHOJMIIVRP-SLFFLAALSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[N@@H+](CCC(C)C)CC2)CC[NH+]1C ZINC000998007579 765091693 /nfs/dbraw/zinc/09/16/93/765091693.db2.gz PJJYWHOJMIIVRP-SLFFLAALSA-N 2 1 351.579 3.466 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@H+]1C ZINC001022103669 765973331 /nfs/dbraw/zinc/97/33/31/765973331.db2.gz KKRWZSLJMGBJAL-REBRKWNGSA-N 2 1 370.324 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001024967482 766064884 /nfs/dbraw/zinc/06/48/84/766064884.db2.gz QVHAAPZHOQFSBG-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001050329364 766835557 /nfs/dbraw/zinc/83/55/57/766835557.db2.gz UEIXQOAGOXZMBG-PSBWJHGTSA-N 2 1 363.571 3.161 20 0 FGADMP COc1cc(C[NH2+]CCC[NH+]2CCCCC2)cc(Br)c1O ZINC000020010347 257333060 /nfs/dbraw/zinc/33/30/60/257333060.db2.gz ZLJRULLQWDRLHA-UHFFFAOYSA-N 2 1 357.292 3.129 20 0 FGADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555308 257380068 /nfs/dbraw/zinc/38/00/68/257380068.db2.gz FLQSRXSSCODFFR-JRGCBEDISA-N 2 1 351.494 3.103 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000567987107 505590705 /nfs/dbraw/zinc/59/07/05/505590705.db2.gz QMVKYSXQPRRSMX-CTNGQTDRSA-N 2 1 371.550 3.452 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000070169336 494042143 /nfs/dbraw/zinc/04/21/43/494042143.db2.gz BWINNWLYCWGFMG-GFCCVEGCSA-N 2 1 357.292 3.027 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000070169337 494042285 /nfs/dbraw/zinc/04/22/85/494042285.db2.gz BWINNWLYCWGFMG-LBPRGKRZSA-N 2 1 357.292 3.027 20 0 FGADMP CC(C)N(Cc1cc(Br)ccc1F)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000573730556 505606197 /nfs/dbraw/zinc/60/61/97/505606197.db2.gz BXANOHUHESVCQA-INIZCTEOSA-N 2 1 373.310 3.254 20 0 FGADMP CC[N@@H+](CCOCC[NH3+])[C@@H]1CCSc2ccc(Br)cc21 ZINC000579714803 505607671 /nfs/dbraw/zinc/60/76/71/505607671.db2.gz YNHWBYZMYWSDLZ-CQSZACIVSA-N 2 1 359.333 3.283 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)c2cccs2)CC1 ZINC000570896133 505605568 /nfs/dbraw/zinc/60/55/68/505605568.db2.gz LDAUGQUKXZVJOV-KRWDZBQOSA-N 2 1 363.571 3.369 20 0 FGADMP CCCn1c2ccccc2nc1CN(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000576865148 505612390 /nfs/dbraw/zinc/61/23/90/505612390.db2.gz YXKYXGBOCKDWDM-LJQANCHMSA-N 2 1 371.573 3.294 20 0 FGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163908 505631944 /nfs/dbraw/zinc/63/19/44/505631944.db2.gz DQWLPQCXLHMNRD-MSOLQXFVSA-N 2 1 358.530 3.109 20 0 FGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163908 505631948 /nfs/dbraw/zinc/63/19/48/505631948.db2.gz DQWLPQCXLHMNRD-MSOLQXFVSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163908 505631953 /nfs/dbraw/zinc/63/19/53/505631953.db2.gz DQWLPQCXLHMNRD-MSOLQXFVSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163908 505631955 /nfs/dbraw/zinc/63/19/55/505631955.db2.gz DQWLPQCXLHMNRD-MSOLQXFVSA-N 2 1 358.530 3.109 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000579896417 505639739 /nfs/dbraw/zinc/63/97/39/505639739.db2.gz JOATXXWUJADCCU-NRFANRHFSA-N 2 1 372.557 3.074 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000571047268 505640892 /nfs/dbraw/zinc/64/08/92/505640892.db2.gz PGNYRDQITYSYCO-ILXRZTDVSA-N 2 1 369.431 3.354 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000571060782 505644479 /nfs/dbraw/zinc/64/44/79/505644479.db2.gz SQKLLSWWXBJPFL-FUHIMQAGSA-N 2 1 358.530 3.001 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000571083133 505650106 /nfs/dbraw/zinc/65/01/06/505650106.db2.gz DGZDZVDQXZCDRV-LJQANCHMSA-N 2 1 355.526 3.080 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000571083133 505650109 /nfs/dbraw/zinc/65/01/09/505650109.db2.gz DGZDZVDQXZCDRV-LJQANCHMSA-N 2 1 355.526 3.080 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000568259585 505654881 /nfs/dbraw/zinc/65/48/81/505654881.db2.gz FEXXXLPLYFNVTI-UYAOXDASSA-N 2 1 369.509 3.140 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000057825949 493803508 /nfs/dbraw/zinc/80/35/08/493803508.db2.gz GOCFLARBEGGXLF-SFTDATJTSA-N 2 1 369.509 3.107 20 0 FGADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000068366348 493804907 /nfs/dbraw/zinc/80/49/07/493804907.db2.gz ZKEBEPOMZUQXAA-AWEZNQCLSA-N 2 1 361.486 3.309 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000048828856 493848446 /nfs/dbraw/zinc/84/84/46/493848446.db2.gz ZPHKMPXUDYLLPC-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000048828856 493848448 /nfs/dbraw/zinc/84/84/48/493848448.db2.gz ZPHKMPXUDYLLPC-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000048828856 493848452 /nfs/dbraw/zinc/84/84/52/493848452.db2.gz ZPHKMPXUDYLLPC-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1F ZINC000076332162 493867986 /nfs/dbraw/zinc/86/79/86/493867986.db2.gz PGPCBEMZTOJSKA-AWEZNQCLSA-N 2 1 370.900 3.359 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@@H]21 ZINC000577220722 505690574 /nfs/dbraw/zinc/69/05/74/505690574.db2.gz LJMAZFMFUBUCNK-KVPLUYHFSA-N 2 1 370.541 3.079 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[NH+]3CCCC3)c2c1C ZINC000060847464 493956104 /nfs/dbraw/zinc/95/61/04/493956104.db2.gz LNJKYMSBHLJTQZ-UHFFFAOYSA-N 2 1 359.543 3.412 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1ccc(CSC(F)F)o1)N1CC[NH+](C)CC1 ZINC000069677493 493995937 /nfs/dbraw/zinc/99/59/37/493995937.db2.gz MEQLNPUFPDFRNH-INIZCTEOSA-N 2 1 361.502 3.097 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000052254771 494014775 /nfs/dbraw/zinc/01/47/75/494014775.db2.gz LWDANHUHOKOAKU-UHFFFAOYSA-N 2 1 355.486 3.042 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)CC1 ZINC000063302641 494041925 /nfs/dbraw/zinc/04/19/25/494041925.db2.gz DZQDSBJCOZESET-RTBURBONSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000070450661 494044366 /nfs/dbraw/zinc/04/43/66/494044366.db2.gz AYCNWQDPVQKJFL-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000070450661 494044368 /nfs/dbraw/zinc/04/43/68/494044368.db2.gz AYCNWQDPVQKJFL-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000070450661 494044371 /nfs/dbraw/zinc/04/43/71/494044371.db2.gz AYCNWQDPVQKJFL-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H](C)C1 ZINC000077319036 494056144 /nfs/dbraw/zinc/05/61/44/494056144.db2.gz SSCZRTMJPRFHGH-IAGOWNOFSA-N 2 1 361.555 3.294 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085362784 494116573 /nfs/dbraw/zinc/11/65/73/494116573.db2.gz CCRDKECQMCLKQR-WSTZPKSXSA-N 2 1 374.573 3.315 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000085390198 494119885 /nfs/dbraw/zinc/11/98/85/494119885.db2.gz JPYVRMBXEULFBP-FXAWDEMLSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085404745 494121495 /nfs/dbraw/zinc/12/14/95/494121495.db2.gz JEVRMHAFOLPCCE-LNLFQRSKSA-N 2 1 360.546 3.097 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000086365120 494150233 /nfs/dbraw/zinc/15/02/33/494150233.db2.gz VZSPNDLGOVWHSX-IRXDYDNUSA-N 2 1 369.513 3.415 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000088174441 494211628 /nfs/dbraw/zinc/21/16/28/494211628.db2.gz LRUNSZKJZLDSJG-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000088174441 494211629 /nfs/dbraw/zinc/21/16/29/494211629.db2.gz LRUNSZKJZLDSJG-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccc(C)c(C)c2)CC1 ZINC000072694593 494234856 /nfs/dbraw/zinc/23/48/56/494234856.db2.gz COGOYWWKNUVQJO-UHFFFAOYSA-N 2 1 361.530 3.065 20 0 FGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697620 494236293 /nfs/dbraw/zinc/23/62/93/494236293.db2.gz WQWIAEIARINEOC-VQIMIIECSA-N 2 1 361.555 3.294 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000072726264 494241236 /nfs/dbraw/zinc/24/12/36/494241236.db2.gz CSKHFDZRERFVRO-UHFFFAOYSA-N 2 1 371.319 3.430 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000054509879 494241823 /nfs/dbraw/zinc/24/18/23/494241823.db2.gz GSAKMSOBBZESMB-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1cccs1 ZINC000072800719 494252595 /nfs/dbraw/zinc/25/25/95/494252595.db2.gz POYXEELIBIHNPG-MJGOQNOKSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800719 494252599 /nfs/dbraw/zinc/25/25/99/494252599.db2.gz POYXEELIBIHNPG-MJGOQNOKSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800719 494252602 /nfs/dbraw/zinc/25/26/02/494252602.db2.gz POYXEELIBIHNPG-MJGOQNOKSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000072808435 494255883 /nfs/dbraw/zinc/25/58/83/494255883.db2.gz VNZZWXQCRYHKES-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000072808435 494255888 /nfs/dbraw/zinc/25/58/88/494255888.db2.gz VNZZWXQCRYHKES-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000072808435 494255890 /nfs/dbraw/zinc/25/58/90/494255890.db2.gz VNZZWXQCRYHKES-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000072808435 494255895 /nfs/dbraw/zinc/25/58/95/494255895.db2.gz VNZZWXQCRYHKES-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000054698589 494263726 /nfs/dbraw/zinc/26/37/26/494263726.db2.gz YCGOATWCZPLERQ-RXVVDRJESA-N 2 1 372.557 3.195 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861044 494269576 /nfs/dbraw/zinc/26/95/76/494269576.db2.gz DKIDOZWWHYCDIR-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861044 494269582 /nfs/dbraw/zinc/26/95/82/494269582.db2.gz DKIDOZWWHYCDIR-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861044 494269590 /nfs/dbraw/zinc/26/95/90/494269590.db2.gz DKIDOZWWHYCDIR-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501009 505710889 /nfs/dbraw/zinc/71/08/89/505710889.db2.gz NYQAWPRKQXLLMV-QGZVFWFLSA-N 2 1 356.432 3.172 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501009 505710891 /nfs/dbraw/zinc/71/08/91/505710891.db2.gz NYQAWPRKQXLLMV-QGZVFWFLSA-N 2 1 356.432 3.172 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000072963914 494292059 /nfs/dbraw/zinc/29/20/59/494292059.db2.gz GKXYFCOWAVUGAH-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000072963914 494292061 /nfs/dbraw/zinc/29/20/61/494292061.db2.gz GKXYFCOWAVUGAH-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)CC1 ZINC000571350404 505712577 /nfs/dbraw/zinc/71/25/77/505712577.db2.gz TZXLLYAVKFOBJE-HZPDHXFCSA-N 2 1 370.884 3.229 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000568512107 505712913 /nfs/dbraw/zinc/71/29/13/505712913.db2.gz FXPGKAWOLMONGM-VGOVLVCLSA-N 2 1 368.308 3.158 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533233 494363721 /nfs/dbraw/zinc/36/37/21/494363721.db2.gz OIWIAFUWDQAIGQ-CHWSQXEVSA-N 2 1 358.267 3.284 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004362 494427073 /nfs/dbraw/zinc/42/70/73/494427073.db2.gz HNSHLVQRSJGSNW-HZPDHXFCSA-N 2 1 372.538 3.424 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004362 494427075 /nfs/dbraw/zinc/42/70/75/494427075.db2.gz HNSHLVQRSJGSNW-HZPDHXFCSA-N 2 1 372.538 3.424 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000066874095 494430021 /nfs/dbraw/zinc/43/00/21/494430021.db2.gz BPKOKNRTWUQIAM-UHFFFAOYSA-N 2 1 365.521 3.390 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000066960794 494446352 /nfs/dbraw/zinc/44/63/52/494446352.db2.gz CZGYBNFZBFJTKT-QGZVFWFLSA-N 2 1 363.521 3.274 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079826157 494531415 /nfs/dbraw/zinc/53/14/15/494531415.db2.gz FYDGRJRAWZRPNW-NRFANRHFSA-N 2 1 374.573 3.443 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568579595 505727093 /nfs/dbraw/zinc/72/70/93/505727093.db2.gz UCORELQUPAQFBC-QFIPXVFZSA-N 2 1 357.542 3.233 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056786275 494563224 /nfs/dbraw/zinc/56/32/24/494563224.db2.gz KPVOKPCVMZSCFA-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)CC1 ZINC000074713117 494579818 /nfs/dbraw/zinc/57/98/18/494579818.db2.gz RLUWNCNBRWHNFG-UHFFFAOYSA-N 2 1 373.545 3.098 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121117045 494603964 /nfs/dbraw/zinc/60/39/64/494603964.db2.gz XFQGMHGSTUCUBK-CQSZACIVSA-N 2 1 365.568 3.396 20 0 FGADMP Cc1cc2ncc([C@@H](C)[NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)c(C)n2n1 ZINC000091727825 494659438 /nfs/dbraw/zinc/65/94/38/494659438.db2.gz YJQZRYLNSXDHQY-MRXNPFEDSA-N 2 1 364.497 3.369 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000092587800 494680077 /nfs/dbraw/zinc/68/00/77/494680077.db2.gz DDTLWYLEFLREFM-GOSISDBHSA-N 2 1 353.514 3.416 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000092587800 494680080 /nfs/dbraw/zinc/68/00/80/494680080.db2.gz DDTLWYLEFLREFM-GOSISDBHSA-N 2 1 353.514 3.416 20 0 FGADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131791526 494731670 /nfs/dbraw/zinc/73/16/70/494731670.db2.gz IDGFJIBUHDCAEG-PBHICJAKSA-N 2 1 357.479 3.284 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410833 494759499 /nfs/dbraw/zinc/75/94/99/494759499.db2.gz QZYBUAZXRYITQL-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820969 494762675 /nfs/dbraw/zinc/76/26/75/494762675.db2.gz ICKXNORUFPLTQV-IBGZPJMESA-N 2 1 372.557 3.411 20 0 FGADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821456 494763648 /nfs/dbraw/zinc/76/36/48/494763648.db2.gz QNWRXXFIHCVTER-QZTJIDSGSA-N 2 1 360.546 3.313 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000092043327 494766752 /nfs/dbraw/zinc/76/67/52/494766752.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043327 494766759 /nfs/dbraw/zinc/76/67/59/494766759.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043327 494766765 /nfs/dbraw/zinc/76/67/65/494766765.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043327 494766769 /nfs/dbraw/zinc/76/67/69/494766769.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 2 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043327 494766776 /nfs/dbraw/zinc/76/67/76/494766776.db2.gz XUOZUZIRJDIRSW-IFMALSPDSA-N 2 1 370.585 3.135 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000116435077 494786249 /nfs/dbraw/zinc/78/62/49/494786249.db2.gz IFFVDNVPIVCHKP-GOSISDBHSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000108811085 494791411 /nfs/dbraw/zinc/79/14/11/494791411.db2.gz SYNVGQQPYSYJIE-ICSRJNTNSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000075685587 494816700 /nfs/dbraw/zinc/81/67/00/494816700.db2.gz SDWAFNMSOAKDQS-IBGZPJMESA-N 2 1 357.542 3.231 20 0 FGADMP C[N@H+](CC1=Cc2cc(Br)ccc2OC1)CC1CC[NH+](C)CC1 ZINC000093089155 494824979 /nfs/dbraw/zinc/82/49/79/494824979.db2.gz LXMFYXAWQGNCBT-UHFFFAOYSA-N 2 1 365.315 3.499 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOc4ccccc43)cc2)CC1 ZINC000126714346 494825258 /nfs/dbraw/zinc/82/52/58/494825258.db2.gz YHMZQNNIWCGWOV-JOCHJYFZSA-N 2 1 365.521 3.438 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(C)cc4)o3)C2)CC1 ZINC000093133259 494830071 /nfs/dbraw/zinc/83/00/71/494830071.db2.gz IQOGSNSEEPVPOS-FQEVSTJZSA-N 2 1 353.510 3.467 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)c1 ZINC000126856878 494850798 /nfs/dbraw/zinc/85/07/98/494850798.db2.gz IWMXPKQXKDCVGC-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000126856878 494850801 /nfs/dbraw/zinc/85/08/01/494850801.db2.gz IWMXPKQXKDCVGC-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000126856878 494850805 /nfs/dbraw/zinc/85/08/05/494850805.db2.gz IWMXPKQXKDCVGC-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000093564197 494901160 /nfs/dbraw/zinc/90/11/60/494901160.db2.gz ZNMJSQCUDWGSLZ-FQEVSTJZSA-N 2 1 374.525 3.306 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1C ZINC000093564197 494901163 /nfs/dbraw/zinc/90/11/63/494901163.db2.gz ZNMJSQCUDWGSLZ-FQEVSTJZSA-N 2 1 374.525 3.306 20 0 FGADMP Clc1nc2ccccn2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734934 494915380 /nfs/dbraw/zinc/91/53/80/494915380.db2.gz XXXXNPWTFTUTHR-UHFFFAOYSA-N 2 1 362.905 3.065 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132791786 494925822 /nfs/dbraw/zinc/92/58/22/494925822.db2.gz RLGFHZVPOGFCAY-UHFFFAOYSA-N 3 1 358.574 3.181 20 0 FGADMP c1cc2c(s1)CCN(CC[NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000132847764 494932512 /nfs/dbraw/zinc/93/25/12/494932512.db2.gz VRBYCLGXCORZFR-UHFFFAOYSA-N 2 1 369.578 3.403 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000127630517 494973490 /nfs/dbraw/zinc/97/34/90/494973490.db2.gz ZLDWUDJGWDRLSB-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000127630517 494973493 /nfs/dbraw/zinc/97/34/93/494973493.db2.gz ZLDWUDJGWDRLSB-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000127630517 494973496 /nfs/dbraw/zinc/97/34/96/494973496.db2.gz ZLDWUDJGWDRLSB-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000122458607 494979516 /nfs/dbraw/zinc/97/95/16/494979516.db2.gz GMLCICXNXBKFPX-UHFFFAOYSA-N 2 1 374.573 3.402 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144350 495061126 /nfs/dbraw/zinc/06/11/26/495061126.db2.gz ZLWCPCNMKOBCDV-PBHICJAKSA-N 2 1 355.320 3.193 20 0 FGADMP CCOc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128334686 495081053 /nfs/dbraw/zinc/08/10/53/495081053.db2.gz WEYAUDFVWOJNNT-MRXNPFEDSA-N 2 1 353.938 3.417 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C(C)C ZINC000111506309 495083767 /nfs/dbraw/zinc/08/37/67/495083767.db2.gz AZMMNYKHYSEYDH-SEJPIABJSA-N 2 1 372.557 3.212 20 0 FGADMP CC[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(C)C ZINC000111506309 495083770 /nfs/dbraw/zinc/08/37/70/495083770.db2.gz AZMMNYKHYSEYDH-SEJPIABJSA-N 2 1 372.557 3.212 20 0 FGADMP CC[NH+](CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000111506309 495083771 /nfs/dbraw/zinc/08/37/71/495083771.db2.gz AZMMNYKHYSEYDH-SEJPIABJSA-N 2 1 372.557 3.212 20 0 FGADMP CN(c1ccccc1CN[C@H]1CC[N@H+](C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134029426 495095297 /nfs/dbraw/zinc/09/52/97/495095297.db2.gz GZHMYNMERXUTOU-FQEVSTJZSA-N 2 1 370.585 3.324 20 0 FGADMP CN(c1ccccc1C[NH2+][C@H]1CCN(C2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000134029426 495095299 /nfs/dbraw/zinc/09/52/99/495095299.db2.gz GZHMYNMERXUTOU-FQEVSTJZSA-N 2 1 370.585 3.324 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123275213 495107150 /nfs/dbraw/zinc/10/71/50/495107150.db2.gz BULIIBGVJQJONV-CQSZACIVSA-N 2 1 353.457 3.346 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000111881078 495124396 /nfs/dbraw/zinc/12/43/96/495124396.db2.gz WDNWZHDBIFBVJC-GOSISDBHSA-N 2 1 366.594 3.403 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123507572 495143677 /nfs/dbraw/zinc/14/36/77/495143677.db2.gz DVTFUARUTUFTFB-MRXNPFEDSA-N 2 1 359.514 3.270 20 0 FGADMP Cc1cc(N2CCC([NH2+]C3CC(OCc4ccccc4)C3)CC2)nc(C)[nH+]1 ZINC000580460989 505764229 /nfs/dbraw/zinc/76/42/29/505764229.db2.gz CHIQHHXRZUGLGK-UHFFFAOYSA-N 2 1 366.509 3.400 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[nH+]c1 ZINC000119501397 495178639 /nfs/dbraw/zinc/17/86/39/495178639.db2.gz GKPBCIWLINYQHY-ROUUACIJSA-N 2 1 373.545 3.144 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH+]c1 ZINC000119501397 495178644 /nfs/dbraw/zinc/17/86/44/495178644.db2.gz GKPBCIWLINYQHY-ROUUACIJSA-N 2 1 373.545 3.144 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1F ZINC000112542221 495203006 /nfs/dbraw/zinc/20/30/06/495203006.db2.gz XSOSLVGTWLKQQF-CQSZACIVSA-N 2 1 361.436 3.107 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119639957 495208294 /nfs/dbraw/zinc/20/82/94/495208294.db2.gz MVPAGJOCFLUDNU-JOCHJYFZSA-N 2 1 365.521 3.447 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119678245 495216352 /nfs/dbraw/zinc/21/63/52/495216352.db2.gz VTWQACFITYZNRJ-QLFBSQMISA-N 2 1 369.351 3.277 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119678561 495216857 /nfs/dbraw/zinc/21/68/57/495216857.db2.gz VTWQACFITYZNRJ-RBSFLKMASA-N 2 1 369.351 3.277 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134912629 495221608 /nfs/dbraw/zinc/22/16/08/495221608.db2.gz ZTLADUYNOBCCCD-MOXGXCLJSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134912629 495221612 /nfs/dbraw/zinc/22/16/12/495221612.db2.gz ZTLADUYNOBCCCD-MOXGXCLJSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134912629 495221618 /nfs/dbraw/zinc/22/16/18/495221618.db2.gz ZTLADUYNOBCCCD-MOXGXCLJSA-N 2 1 364.917 3.028 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000134918657 495222768 /nfs/dbraw/zinc/22/27/68/495222768.db2.gz QEPAVTBGQSNNJQ-CEMLEFRQSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000134918657 495222770 /nfs/dbraw/zinc/22/27/70/495222770.db2.gz QEPAVTBGQSNNJQ-CEMLEFRQSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000134918657 495222771 /nfs/dbraw/zinc/22/27/71/495222771.db2.gz QEPAVTBGQSNNJQ-CEMLEFRQSA-N 2 1 372.553 3.300 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000119719158 495225816 /nfs/dbraw/zinc/22/58/16/495225816.db2.gz RPMAIBMJRYADFO-QILLFSRXSA-N 2 1 364.559 3.055 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)on1 ZINC000112708724 495227728 /nfs/dbraw/zinc/22/77/28/495227728.db2.gz YFHLTMWWEAMXQN-QGZVFWFLSA-N 2 1 370.497 3.476 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c(C[NH+](C)C)c1 ZINC000134948841 495229596 /nfs/dbraw/zinc/22/95/96/495229596.db2.gz MTCUURPZSRHOGD-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c(C[NH+](C)C)c1 ZINC000134948841 495229597 /nfs/dbraw/zinc/22/95/97/495229597.db2.gz MTCUURPZSRHOGD-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1Cl ZINC000568749278 505769982 /nfs/dbraw/zinc/76/99/82/505769982.db2.gz HXCZRLIHWMLTAX-LPHOPBHVSA-N 2 1 361.917 3.157 20 0 FGADMP C[NH+]1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000119900203 495265414 /nfs/dbraw/zinc/26/54/14/495265414.db2.gz OAHGSJVEHGESRM-ZDUSSCGKSA-N 2 1 362.827 3.016 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([NH+]2CCCC2)CC1 ZINC000104405283 495282297 /nfs/dbraw/zinc/28/22/97/495282297.db2.gz KDGKYYPVBLXXAL-IBGZPJMESA-N 2 1 373.516 3.125 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(OC(F)F)c1 ZINC000124408729 495282508 /nfs/dbraw/zinc/28/25/08/495282508.db2.gz OVWVLFLYYUMVCE-OAHLLOKOSA-N 2 1 355.473 3.212 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000129933484 495316532 /nfs/dbraw/zinc/31/65/32/495316532.db2.gz AHHLZGGZIHDFJW-FQEVSTJZSA-N 2 1 354.498 3.000 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000129933484 495316535 /nfs/dbraw/zinc/31/65/35/495316535.db2.gz AHHLZGGZIHDFJW-FQEVSTJZSA-N 2 1 354.498 3.000 20 0 FGADMP CN(c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1)C1CC[NH+](C)CC1 ZINC000129994291 495325962 /nfs/dbraw/zinc/32/59/62/495325962.db2.gz PSLGMGMIMQJKAP-SFHVURJKSA-N 2 1 357.542 3.218 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000105113522 495337914 /nfs/dbraw/zinc/33/79/14/495337914.db2.gz UVQLNSXKASHHBS-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000105113522 495337916 /nfs/dbraw/zinc/33/79/16/495337916.db2.gz UVQLNSXKASHHBS-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000105113522 495337918 /nfs/dbraw/zinc/33/79/18/495337918.db2.gz UVQLNSXKASHHBS-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124830136 495350996 /nfs/dbraw/zinc/35/09/96/495350996.db2.gz YULNEVOQAOPXGN-NRFANRHFSA-N 2 1 360.448 3.295 20 0 FGADMP CCC[N@H+](Cc1nccn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477210 495381029 /nfs/dbraw/zinc/38/10/29/495381029.db2.gz ISGDNKPVWAHPCM-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP CCC[N@@H+](Cc1nccn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477210 495381030 /nfs/dbraw/zinc/38/10/30/495381030.db2.gz ISGDNKPVWAHPCM-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000125217805 495408366 /nfs/dbraw/zinc/40/83/66/495408366.db2.gz GHKNXZRILGODFR-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1 ZINC000106166272 495422216 /nfs/dbraw/zinc/42/22/16/495422216.db2.gz LPHMVEXYJHBQJU-HZPDHXFCSA-N 2 1 372.488 3.080 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114786229 495424503 /nfs/dbraw/zinc/42/45/03/495424503.db2.gz MXFDFKFFSSPIAP-FQEVSTJZSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000130818952 495450184 /nfs/dbraw/zinc/45/01/84/495450184.db2.gz MKZRFGSPWDJYBP-KRWDZBQOSA-N 2 1 364.852 3.111 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000130818952 495450190 /nfs/dbraw/zinc/45/01/90/495450190.db2.gz MKZRFGSPWDJYBP-KRWDZBQOSA-N 2 1 364.852 3.111 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000580556224 505785853 /nfs/dbraw/zinc/78/58/53/505785853.db2.gz IHHVWHSTXQRCJR-QUCCMNQESA-N 2 1 357.523 3.062 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125882451 495513141 /nfs/dbraw/zinc/51/31/41/495513141.db2.gz SZYKVTYWHKUQAT-IRXDYDNUSA-N 2 1 367.559 3.219 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc4ccccc4c3)C2)CC1 ZINC000107371922 495526068 /nfs/dbraw/zinc/52/60/68/495526068.db2.gz PVMBEHORGCSCLE-QFIPXVFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185353941 495543772 /nfs/dbraw/zinc/54/37/72/495543772.db2.gz DSNKRLOJZJDTDN-KDURUIRLSA-N 2 1 374.573 3.258 20 0 FGADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000182476032 495577612 /nfs/dbraw/zinc/57/76/12/495577612.db2.gz JZYYBVRUNYCNCT-BZSNNMDCSA-N 2 1 366.571 3.077 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000154339356 495585814 /nfs/dbraw/zinc/58/58/14/495585814.db2.gz KKPGVBZNFIAFJI-ICSRJNTNSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000158799790 495591975 /nfs/dbraw/zinc/59/19/75/495591975.db2.gz VQMAKIFZCDKLPH-ILZDJORESA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000158799790 495591978 /nfs/dbraw/zinc/59/19/78/495591978.db2.gz VQMAKIFZCDKLPH-ILZDJORESA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000158799790 495591979 /nfs/dbraw/zinc/59/19/79/495591979.db2.gz VQMAKIFZCDKLPH-ILZDJORESA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000158799790 495591982 /nfs/dbraw/zinc/59/19/82/495591982.db2.gz VQMAKIFZCDKLPH-ILZDJORESA-N 2 1 361.505 3.151 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000179453958 495597532 /nfs/dbraw/zinc/59/75/32/495597532.db2.gz WQVSTJMVJXQRJO-MCEIDBOGSA-N 2 1 360.542 3.157 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179472188 495605100 /nfs/dbraw/zinc/60/51/00/495605100.db2.gz CBYOAABKXHSJBT-HKBOAZHASA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000158935657 495620005 /nfs/dbraw/zinc/62/00/05/495620005.db2.gz SSHQFLSPUNBRAN-QGZVFWFLSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000158935657 495620010 /nfs/dbraw/zinc/62/00/10/495620010.db2.gz SSHQFLSPUNBRAN-QGZVFWFLSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000158997398 495633817 /nfs/dbraw/zinc/63/38/17/495633817.db2.gz SQPTXROXMNOTCJ-PGRDOPGGSA-N 2 1 353.510 3.492 20 0 FGADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150852614 495656544 /nfs/dbraw/zinc/65/65/44/495656544.db2.gz PVUQJBAXEDWADL-CABCVRRESA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150852614 495656550 /nfs/dbraw/zinc/65/65/50/495656550.db2.gz PVUQJBAXEDWADL-CABCVRRESA-N 2 1 373.324 3.151 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661728 495668560 /nfs/dbraw/zinc/66/85/60/495668560.db2.gz NXXCSDDDURRDLK-IRXDYDNUSA-N 2 1 373.566 3.368 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661728 495668565 /nfs/dbraw/zinc/66/85/65/495668565.db2.gz NXXCSDDDURRDLK-IRXDYDNUSA-N 2 1 373.566 3.368 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721353 495697455 /nfs/dbraw/zinc/69/74/55/495697455.db2.gz STSCYJLYUJIPJM-NVXWUHKLSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721353 495697457 /nfs/dbraw/zinc/69/74/57/495697457.db2.gz STSCYJLYUJIPJM-NVXWUHKLSA-N 2 1 363.933 3.199 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](CC(=O)Nc2ccccc2OC)CC1 ZINC000182783315 495701506 /nfs/dbraw/zinc/70/15/06/495701506.db2.gz MQPLBFJTBUUXEG-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185734978 495702221 /nfs/dbraw/zinc/70/22/21/495702221.db2.gz WELCGGRTYVMQNK-CMKODMSKSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185734978 495702226 /nfs/dbraw/zinc/70/22/26/495702226.db2.gz WELCGGRTYVMQNK-CMKODMSKSA-N 2 1 357.542 3.242 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(=O)Nc1ccccc1C(C)=O ZINC000568878506 505798691 /nfs/dbraw/zinc/79/86/91/505798691.db2.gz CTPKGQWEZDEGRR-MSOLQXFVSA-N 2 1 357.498 3.167 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCCC(=O)Nc1ccccc1C(C)=O ZINC000568878506 505798696 /nfs/dbraw/zinc/79/86/96/505798696.db2.gz CTPKGQWEZDEGRR-MSOLQXFVSA-N 2 1 357.498 3.167 20 0 FGADMP Cc1ccncc1CCC[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000574559031 505801176 /nfs/dbraw/zinc/80/11/76/505801176.db2.gz QYYLZLIAKLXUIO-HSZRJFAPSA-N 2 1 366.553 3.291 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000154890962 495763705 /nfs/dbraw/zinc/76/37/05/495763705.db2.gz WOCKOJARZXRFBV-QGZVFWFLSA-N 2 1 358.404 3.273 20 0 FGADMP Cc1ccc(NC(=O)CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000173976129 495772053 /nfs/dbraw/zinc/77/20/53/495772053.db2.gz WKTARHPXWIEGQE-HXUWFJFHSA-N 2 1 351.494 3.387 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000183140568 495852114 /nfs/dbraw/zinc/85/21/14/495852114.db2.gz MYLQWVNYFOFTIN-ZIAGYGMSSA-N 2 1 353.426 3.155 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000174248428 495881314 /nfs/dbraw/zinc/88/13/14/495881314.db2.gz DAVJYOGFQGUTHK-UHFFFAOYSA-N 2 1 353.510 3.437 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060816 495905418 /nfs/dbraw/zinc/90/54/18/495905418.db2.gz NELHAWVUPSXVPB-LNMJFAINSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060816 495905426 /nfs/dbraw/zinc/90/54/26/495905426.db2.gz NELHAWVUPSXVPB-LNMJFAINSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060816 495905431 /nfs/dbraw/zinc/90/54/31/495905431.db2.gz NELHAWVUPSXVPB-LNMJFAINSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000177060816 495905438 /nfs/dbraw/zinc/90/54/38/495905438.db2.gz NELHAWVUPSXVPB-LNMJFAINSA-N 2 1 354.922 3.193 20 0 FGADMP CC[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568937009 505812639 /nfs/dbraw/zinc/81/26/39/505812639.db2.gz POWRCPNSWVKBTC-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP [NH3+]CCCCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000571795287 505816673 /nfs/dbraw/zinc/81/66/73/505816673.db2.gz RIBSJLBZEQOKMK-GOSISDBHSA-N 2 1 357.523 3.093 20 0 FGADMP [NH3+]CCCCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000571795287 505816678 /nfs/dbraw/zinc/81/66/78/505816678.db2.gz RIBSJLBZEQOKMK-GOSISDBHSA-N 2 1 357.523 3.093 20 0 FGADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000155593771 496006792 /nfs/dbraw/zinc/00/67/92/496006792.db2.gz RCDAXUVYANKJNV-DYESRHJHSA-N 2 1 366.509 3.026 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cnc3ccccc3c2=O)cc1 ZINC000183678696 496075596 /nfs/dbraw/zinc/07/55/96/496075596.db2.gz LNETVZWDVBVXBG-INIZCTEOSA-N 2 1 373.460 3.241 20 0 FGADMP CCc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177479940 496078612 /nfs/dbraw/zinc/07/86/12/496078612.db2.gz HKGAMPJVMBETMT-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP CCc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177479940 496078617 /nfs/dbraw/zinc/07/86/17/496078617.db2.gz HKGAMPJVMBETMT-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000155985249 496125055 /nfs/dbraw/zinc/12/50/55/496125055.db2.gz XEOFXNLOWHFYKB-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000174838801 496127340 /nfs/dbraw/zinc/12/73/40/496127340.db2.gz WCEYNTHKPFERNX-KZNAEPCWSA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000174838801 496127344 /nfs/dbraw/zinc/12/73/44/496127344.db2.gz WCEYNTHKPFERNX-KZNAEPCWSA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000174838801 496127346 /nfs/dbraw/zinc/12/73/46/496127346.db2.gz WCEYNTHKPFERNX-KZNAEPCWSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000177636642 496140187 /nfs/dbraw/zinc/14/01/87/496140187.db2.gz WNZKJSULPOSMLJ-CQSZACIVSA-N 2 1 362.543 3.114 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000177636642 496140189 /nfs/dbraw/zinc/14/01/89/496140189.db2.gz WNZKJSULPOSMLJ-CQSZACIVSA-N 2 1 362.543 3.114 20 0 FGADMP CC[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)sc2C1 ZINC000177636642 496140194 /nfs/dbraw/zinc/14/01/94/496140194.db2.gz WNZKJSULPOSMLJ-CQSZACIVSA-N 2 1 362.543 3.114 20 0 FGADMP CC[NH+]1CCc2nc(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)sc2C1 ZINC000177636642 496140195 /nfs/dbraw/zinc/14/01/95/496140195.db2.gz WNZKJSULPOSMLJ-CQSZACIVSA-N 2 1 362.543 3.114 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000177636655 496140548 /nfs/dbraw/zinc/14/05/48/496140548.db2.gz WNZKJSULPOSMLJ-AWEZNQCLSA-N 2 1 362.543 3.114 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)[C@H]3CC[NH+](C4CCCCC4)C3)sc2C1 ZINC000177636655 496140552 /nfs/dbraw/zinc/14/05/52/496140552.db2.gz WNZKJSULPOSMLJ-AWEZNQCLSA-N 2 1 362.543 3.114 20 0 FGADMP CC[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)sc2C1 ZINC000177636655 496140556 /nfs/dbraw/zinc/14/05/56/496140556.db2.gz WNZKJSULPOSMLJ-AWEZNQCLSA-N 2 1 362.543 3.114 20 0 FGADMP CC[NH+]1CCc2nc(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)sc2C1 ZINC000177636655 496140558 /nfs/dbraw/zinc/14/05/58/496140558.db2.gz WNZKJSULPOSMLJ-AWEZNQCLSA-N 2 1 362.543 3.114 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000152458306 496158093 /nfs/dbraw/zinc/15/80/93/496158093.db2.gz KWYANZUMSFDNCL-HRCADAONSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709662 496167134 /nfs/dbraw/zinc/16/71/34/496167134.db2.gz YMZNQZVTUPHHRH-ICSRJNTNSA-N 2 1 373.541 3.496 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000174969305 496186574 /nfs/dbraw/zinc/18/65/74/496186574.db2.gz KLMASYQMQJVORT-HXUWFJFHSA-N 2 1 359.558 3.477 20 0 FGADMP C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000161602938 496205749 /nfs/dbraw/zinc/20/57/49/496205749.db2.gz HZQOIKDWPQANJQ-OAQYLSRUSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000161602938 496205759 /nfs/dbraw/zinc/20/57/59/496205759.db2.gz HZQOIKDWPQANJQ-OAQYLSRUSA-N 2 1 372.557 3.341 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CCOCC3)CC2)cs1 ZINC000161797777 496239781 /nfs/dbraw/zinc/23/97/81/496239781.db2.gz SIZKCCWROZSPNY-OAHLLOKOSA-N 2 1 351.560 3.322 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000156436695 496245897 /nfs/dbraw/zinc/24/58/97/496245897.db2.gz XMMKTCPVIQDLHZ-UHFFFAOYSA-N 2 1 374.573 3.459 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000574689507 505832497 /nfs/dbraw/zinc/83/24/97/505832497.db2.gz KBHWABLHBSJDLN-YADHBBJMSA-N 2 1 369.553 3.279 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000175154179 496268539 /nfs/dbraw/zinc/26/85/39/496268539.db2.gz VKAQBLLTDCQTRJ-IERDGZPVSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000175154179 496268544 /nfs/dbraw/zinc/26/85/44/496268544.db2.gz VKAQBLLTDCQTRJ-IERDGZPVSA-N 2 1 361.505 3.198 20 0 FGADMP Clc1cnn2cc(CC[NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)cnc12 ZINC000580768028 505834231 /nfs/dbraw/zinc/83/42/31/505834231.db2.gz JGKAWXHWPDLBBG-FUHWJXTLSA-N 2 1 355.873 3.008 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000178038639 496298763 /nfs/dbraw/zinc/29/87/63/496298763.db2.gz WLXHGXISGTYKTE-OTWHNJEPSA-N 2 1 356.514 3.412 20 0 FGADMP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000181191153 496306160 /nfs/dbraw/zinc/30/61/60/496306160.db2.gz ZOEPTVWOXVEHND-UHFFFAOYSA-N 2 1 366.571 3.213 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157172322 496421112 /nfs/dbraw/zinc/42/11/12/496421112.db2.gz OJOFAOJOHYNPRD-HXUWFJFHSA-N 2 1 357.498 3.168 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157172322 496421113 /nfs/dbraw/zinc/42/11/13/496421113.db2.gz OJOFAOJOHYNPRD-HXUWFJFHSA-N 2 1 357.498 3.168 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000178375576 496432832 /nfs/dbraw/zinc/43/28/32/496432832.db2.gz URXCJUKIUSXKEK-KRWDZBQOSA-N 2 1 352.478 3.305 20 0 FGADMP C[NH+]1CCN(c2ncc(CN3CCC[C@@H]3c3cccc(Cl)c3)cn2)CC1 ZINC000153435848 496454965 /nfs/dbraw/zinc/45/49/65/496454965.db2.gz IOEAPMXVSLFJPC-LJQANCHMSA-N 2 1 371.916 3.219 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187479044 496458544 /nfs/dbraw/zinc/45/85/44/496458544.db2.gz SKEMTKJDIKWQNS-TYPHKJRUSA-N 2 1 374.573 3.267 20 0 FGADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000574754889 505848312 /nfs/dbraw/zinc/84/83/12/505848312.db2.gz NWZQCXAGUGJLFN-SFHVURJKSA-N 2 1 370.522 3.345 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)[nH+]c1 ZINC000163507912 496525299 /nfs/dbraw/zinc/52/52/99/496525299.db2.gz XNBUSWORJTUAIF-LMKMVOKYSA-N 2 1 357.523 3.447 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)[nH+]c1 ZINC000163507714 496525400 /nfs/dbraw/zinc/52/54/00/496525400.db2.gz XNBUSWORJTUAIF-IVCQMTBJSA-N 2 1 357.523 3.447 20 0 FGADMP C[C@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)CCO1 ZINC000157683198 496529099 /nfs/dbraw/zinc/52/90/99/496529099.db2.gz JNZJIKCDTZZASL-SFHVURJKSA-N 2 1 372.557 3.193 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175782604 496543725 /nfs/dbraw/zinc/54/37/25/496543725.db2.gz DSMWSFNFOOLEBH-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C12CCCC2 ZINC000181862869 496576440 /nfs/dbraw/zinc/57/64/40/496576440.db2.gz AFOXBAWQDWDZCE-MOPGFXCFSA-N 2 1 358.530 3.390 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C12CCCC2 ZINC000181862850 496577149 /nfs/dbraw/zinc/57/71/49/496577149.db2.gz AFOXBAWQDWDZCE-RTBURBONSA-N 2 1 358.530 3.390 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187842145 496592578 /nfs/dbraw/zinc/59/25/78/496592578.db2.gz WEULALFPVSMEDI-GOSISDBHSA-N 2 1 350.528 3.323 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H](C)C1 ZINC000165529325 496661031 /nfs/dbraw/zinc/66/10/31/496661031.db2.gz SHWBERJFESXBDR-NQIIRXRSSA-N 2 1 369.509 3.359 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@H](C)C1 ZINC000165529325 496661037 /nfs/dbraw/zinc/66/10/37/496661037.db2.gz SHWBERJFESXBDR-NQIIRXRSSA-N 2 1 369.509 3.359 20 0 FGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000182110081 496672929 /nfs/dbraw/zinc/67/29/29/496672929.db2.gz QTXGXUUWGMNXDD-OAHLLOKOSA-N 2 1 367.497 3.371 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000574804639 505858749 /nfs/dbraw/zinc/85/87/49/505858749.db2.gz OAFMIFLAJVIZFV-SJLPKXTDSA-N 2 1 364.534 3.145 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166342959 496684641 /nfs/dbraw/zinc/68/46/41/496684641.db2.gz PRQKYXAOBLFQNG-VCBZYWHSSA-N 2 1 359.514 3.436 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000182305432 496728794 /nfs/dbraw/zinc/72/87/94/496728794.db2.gz ZZYNDSFGLMSRKI-SFTDATJTSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000182305432 496728795 /nfs/dbraw/zinc/72/87/95/496728795.db2.gz ZZYNDSFGLMSRKI-SFTDATJTSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182305432 496728796 /nfs/dbraw/zinc/72/87/96/496728796.db2.gz ZZYNDSFGLMSRKI-SFTDATJTSA-N 2 1 372.557 3.153 20 0 FGADMP C[C@@H]1CCC[C@](CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)([NH+](C)C)C1 ZINC000246963616 496737068 /nfs/dbraw/zinc/73/70/68/496737068.db2.gz ISYUDJDHXJYBNZ-WAGURGNTSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@H](C(=O)N(C)Cc1c(F)cccc1Cl)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247001887 496748439 /nfs/dbraw/zinc/74/84/39/496748439.db2.gz QCAAZTQYUYOIDI-CABCVRRESA-N 2 1 369.912 3.100 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000273243880 496751610 /nfs/dbraw/zinc/75/16/10/496751610.db2.gz HXSBJDDEEBJTPT-IAGOWNOFSA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000273243880 496751614 /nfs/dbraw/zinc/75/16/14/496751614.db2.gz HXSBJDDEEBJTPT-IAGOWNOFSA-N 2 1 359.514 3.266 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000247026659 496756359 /nfs/dbraw/zinc/75/63/59/496756359.db2.gz QZEIAVZXWDWHOD-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000247026659 496756362 /nfs/dbraw/zinc/75/63/62/496756362.db2.gz QZEIAVZXWDWHOD-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000247026659 496756367 /nfs/dbraw/zinc/75/63/67/496756367.db2.gz QZEIAVZXWDWHOD-ZIAGYGMSSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268710892 496763889 /nfs/dbraw/zinc/76/38/89/496763889.db2.gz DPBVGQFUWSSRLW-CQSZACIVSA-N 2 1 360.470 3.210 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761648 496777521 /nfs/dbraw/zinc/77/75/21/496777521.db2.gz OEQFXZBODTVUJE-UCNVEGJOSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000268761648 496777522 /nfs/dbraw/zinc/77/75/22/496777522.db2.gz OEQFXZBODTVUJE-UCNVEGJOSA-N 2 1 354.494 3.371 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247094951 496777729 /nfs/dbraw/zinc/77/77/29/496777729.db2.gz QAENTNUNZIWAGP-FYQPLNBISA-N 2 1 364.578 3.155 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3cccc(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000574839468 505865372 /nfs/dbraw/zinc/86/53/72/505865372.db2.gz GLIPFHSFGFHALQ-VTLFHKLASA-N 2 1 354.469 3.298 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3cccc(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000574839468 505865375 /nfs/dbraw/zinc/86/53/75/505865375.db2.gz GLIPFHSFGFHALQ-VTLFHKLASA-N 2 1 354.469 3.298 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774332 496781380 /nfs/dbraw/zinc/78/13/80/496781380.db2.gz RCZPPBLMGVIICR-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774332 496781383 /nfs/dbraw/zinc/78/13/83/496781383.db2.gz RCZPPBLMGVIICR-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779111 496782688 /nfs/dbraw/zinc/78/26/88/496782688.db2.gz OZXLWELXHALSFP-VDGAXYAQSA-N 2 1 354.498 3.277 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779111 496782691 /nfs/dbraw/zinc/78/26/91/496782691.db2.gz OZXLWELXHALSFP-VDGAXYAQSA-N 2 1 354.498 3.277 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000247121767 496785889 /nfs/dbraw/zinc/78/58/89/496785889.db2.gz RTNDHMCXMVXSLB-IIDMSEBBSA-N 2 1 366.937 3.115 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822935 496795671 /nfs/dbraw/zinc/79/56/71/496795671.db2.gz IAROOUYYSWSNIM-IRXDYDNUSA-N 2 1 350.503 3.103 20 0 FGADMP C[C@H](NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851234 496803238 /nfs/dbraw/zinc/80/32/38/496803238.db2.gz CDZHPILJGJYVJP-AZUAARDMSA-N 2 1 353.510 3.162 20 0 FGADMP C[C@H](NC[C@@H]1C[N@@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851234 496803244 /nfs/dbraw/zinc/80/32/44/496803244.db2.gz CDZHPILJGJYVJP-AZUAARDMSA-N 2 1 353.510 3.162 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1SC(F)F ZINC000268871159 496810179 /nfs/dbraw/zinc/81/01/79/496810179.db2.gz VIPGTDSVKASJOU-TZMCWYRMSA-N 2 1 360.470 3.117 20 0 FGADMP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000273462934 496812673 /nfs/dbraw/zinc/81/26/73/496812673.db2.gz OMBLEVZKLPLKJS-HNNXBMFYSA-N 2 1 372.962 3.345 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)C1 ZINC000273462934 496812676 /nfs/dbraw/zinc/81/26/76/496812676.db2.gz OMBLEVZKLPLKJS-HNNXBMFYSA-N 2 1 372.962 3.345 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562041 496813196 /nfs/dbraw/zinc/81/31/96/496813196.db2.gz SXYDZVJUWZQJNI-IBGZPJMESA-N 2 1 370.541 3.423 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893101 496815780 /nfs/dbraw/zinc/81/57/80/496815780.db2.gz MBBPNXJSVCVSKW-RHSMWYFYSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000268893101 496815786 /nfs/dbraw/zinc/81/57/86/496815786.db2.gz MBBPNXJSVCVSKW-RHSMWYFYSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000268893101 496815793 /nfs/dbraw/zinc/81/57/93/496815793.db2.gz MBBPNXJSVCVSKW-RHSMWYFYSA-N 2 1 365.905 3.093 20 0 FGADMP Cc1ccc2nc(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)cn2c1 ZINC000268943131 496830354 /nfs/dbraw/zinc/83/03/54/496830354.db2.gz VUUKHBRBOWAHDR-QGZVFWFLSA-N 2 1 352.482 3.434 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000268957351 496835041 /nfs/dbraw/zinc/83/50/41/496835041.db2.gz VYYAEKALLCJQIR-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1Cl ZINC000268957351 496835048 /nfs/dbraw/zinc/83/50/48/496835048.db2.gz VYYAEKALLCJQIR-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000268957351 496835055 /nfs/dbraw/zinc/83/50/55/496835055.db2.gz VYYAEKALLCJQIR-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000268957351 496835062 /nfs/dbraw/zinc/83/50/62/496835062.db2.gz VYYAEKALLCJQIR-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247535345 496881610 /nfs/dbraw/zinc/88/16/10/496881610.db2.gz OPBIWDFXXUNCRQ-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000247535345 496881612 /nfs/dbraw/zinc/88/16/12/496881612.db2.gz OPBIWDFXXUNCRQ-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000247535345 496881615 /nfs/dbraw/zinc/88/16/15/496881615.db2.gz OPBIWDFXXUNCRQ-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277900492 496927461 /nfs/dbraw/zinc/92/74/61/496927461.db2.gz OYJJDGMAEYPWGS-SFHVURJKSA-N 2 1 369.509 3.348 20 0 FGADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277900492 496927464 /nfs/dbraw/zinc/92/74/64/496927464.db2.gz OYJJDGMAEYPWGS-SFHVURJKSA-N 2 1 369.509 3.348 20 0 FGADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247944328 496930076 /nfs/dbraw/zinc/93/00/76/496930076.db2.gz DIAYOJOJEGRFMR-VQIMIIECSA-N 2 1 369.509 3.390 20 0 FGADMP CCc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247944328 496930082 /nfs/dbraw/zinc/93/00/82/496930082.db2.gz DIAYOJOJEGRFMR-VQIMIIECSA-N 2 1 369.509 3.390 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247966792 496935190 /nfs/dbraw/zinc/93/51/90/496935190.db2.gz GXJUDMDAHQNMOX-QFBILLFUSA-N 2 1 355.482 3.136 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247966792 496935195 /nfs/dbraw/zinc/93/51/95/496935195.db2.gz GXJUDMDAHQNMOX-QFBILLFUSA-N 2 1 355.482 3.136 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247976717 496937309 /nfs/dbraw/zinc/93/73/09/496937309.db2.gz KZTAYNLAKUVWIF-ZWOKBUDYSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247976717 496937312 /nfs/dbraw/zinc/93/73/12/496937312.db2.gz KZTAYNLAKUVWIF-ZWOKBUDYSA-N 2 1 364.530 3.491 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947817 505875539 /nfs/dbraw/zinc/87/55/39/505875539.db2.gz PDMXMJWAFAIMAU-KBAYOESNSA-N 2 1 374.447 3.075 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947817 505875540 /nfs/dbraw/zinc/87/55/40/505875540.db2.gz PDMXMJWAFAIMAU-KBAYOESNSA-N 2 1 374.447 3.075 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@H](C)C1 ZINC000248120100 496956584 /nfs/dbraw/zinc/95/65/84/496956584.db2.gz NGAIEBOSQKBQRO-PAVKVFCFSA-N 2 1 366.571 3.212 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150308 496964663 /nfs/dbraw/zinc/96/46/63/496964663.db2.gz QSIKDCPIKALGNN-WMLDXEAASA-N 2 1 358.404 3.380 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150308 496964665 /nfs/dbraw/zinc/96/46/65/496964665.db2.gz QSIKDCPIKALGNN-WMLDXEAASA-N 2 1 358.404 3.380 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150308 496964666 /nfs/dbraw/zinc/96/46/66/496964666.db2.gz QSIKDCPIKALGNN-WMLDXEAASA-N 2 1 358.404 3.380 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000269668899 496985708 /nfs/dbraw/zinc/98/57/08/496985708.db2.gz QTBYEPHLDCGDLC-UHFFFAOYSA-N 2 1 365.949 3.209 20 0 FGADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000264843316 496996229 /nfs/dbraw/zinc/99/62/29/496996229.db2.gz HFVRUXNSFSGCLZ-NRFANRHFSA-N 2 1 351.494 3.315 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400458 496997339 /nfs/dbraw/zinc/99/73/39/496997339.db2.gz KUIQZUSEHQDCFX-XFKSJGNHSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400458 496997345 /nfs/dbraw/zinc/99/73/45/496997345.db2.gz KUIQZUSEHQDCFX-XFKSJGNHSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400458 496997353 /nfs/dbraw/zinc/99/73/53/496997353.db2.gz KUIQZUSEHQDCFX-XFKSJGNHSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248599274 497052330 /nfs/dbraw/zinc/05/23/30/497052330.db2.gz UNPUUZPBOWPEMV-KPDCDPCYSA-N 2 1 369.553 3.497 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248599274 497052336 /nfs/dbraw/zinc/05/23/36/497052336.db2.gz UNPUUZPBOWPEMV-KPDCDPCYSA-N 2 1 369.553 3.497 20 0 FGADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236707937 497136171 /nfs/dbraw/zinc/13/61/71/497136171.db2.gz YXAPRCWHCCRJBU-QGZVFWFLSA-N 2 1 371.447 3.257 20 0 FGADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236707937 497136175 /nfs/dbraw/zinc/13/61/75/497136175.db2.gz YXAPRCWHCCRJBU-QGZVFWFLSA-N 2 1 371.447 3.257 20 0 FGADMP C[C@]([NH3+])(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000192532981 497142407 /nfs/dbraw/zinc/14/24/07/497142407.db2.gz LIZVGAPWMYOATD-ZYJGPIPZSA-N 2 1 363.505 3.172 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000236842171 497156121 /nfs/dbraw/zinc/15/61/21/497156121.db2.gz WSKXTVIYCDZPCN-OKZBNKHCSA-N 2 1 353.457 3.122 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000236842171 497156127 /nfs/dbraw/zinc/15/61/27/497156127.db2.gz WSKXTVIYCDZPCN-OKZBNKHCSA-N 2 1 353.457 3.122 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000274817343 497173960 /nfs/dbraw/zinc/17/39/60/497173960.db2.gz JBHRSOWDULGABM-LNLFQRSKSA-N 2 1 371.550 3.426 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cccs1 ZINC000274817343 497173966 /nfs/dbraw/zinc/17/39/66/497173966.db2.gz JBHRSOWDULGABM-LNLFQRSKSA-N 2 1 371.550 3.426 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCCS2 ZINC000249181182 497179153 /nfs/dbraw/zinc/17/91/53/497179153.db2.gz IEBRPLBJDMBGOI-LPHOPBHVSA-N 2 1 364.555 3.449 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)CC1 ZINC000249215021 497181650 /nfs/dbraw/zinc/18/16/50/497181650.db2.gz DTQRJRABYPYYNW-NQIIRXRSSA-N 2 1 363.521 3.004 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)CC1 ZINC000249215021 497181654 /nfs/dbraw/zinc/18/16/54/497181654.db2.gz DTQRJRABYPYYNW-NQIIRXRSSA-N 2 1 363.521 3.004 20 0 FGADMP Cc1ccc(-c2ccc(CNCCC[N@@H+]3CCC[C@@H]3C(=O)N(C)C)o2)cc1 ZINC000237030792 497182305 /nfs/dbraw/zinc/18/23/05/497182305.db2.gz NBSCIIZCAPOSRR-HXUWFJFHSA-N 2 1 369.509 3.287 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261428 497184727 /nfs/dbraw/zinc/18/47/27/497184727.db2.gz HWSSMOXJIPXPKE-CXAGYDPISA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261428 497184733 /nfs/dbraw/zinc/18/47/33/497184733.db2.gz HWSSMOXJIPXPKE-CXAGYDPISA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261428 497184739 /nfs/dbraw/zinc/18/47/39/497184739.db2.gz HWSSMOXJIPXPKE-CXAGYDPISA-N 2 1 371.294 3.383 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000278676629 497186198 /nfs/dbraw/zinc/18/61/98/497186198.db2.gz OEXOHACUYMDXOJ-LJQANCHMSA-N 2 1 357.498 3.167 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000278676629 497186202 /nfs/dbraw/zinc/18/62/02/497186202.db2.gz OEXOHACUYMDXOJ-LJQANCHMSA-N 2 1 357.498 3.167 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911328 497197306 /nfs/dbraw/zinc/19/73/06/497197306.db2.gz NFQXQIJJGTYZQD-MJUUVYJYSA-N 2 1 357.542 3.134 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249438327 497203640 /nfs/dbraw/zinc/20/36/40/497203640.db2.gz SPQFXBBPUOSCDZ-GXTWGEPZSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249438327 497203648 /nfs/dbraw/zinc/20/36/48/497203648.db2.gz SPQFXBBPUOSCDZ-GXTWGEPZSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249438327 497203653 /nfs/dbraw/zinc/20/36/53/497203653.db2.gz SPQFXBBPUOSCDZ-GXTWGEPZSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249438327 497203658 /nfs/dbraw/zinc/20/36/58/497203658.db2.gz SPQFXBBPUOSCDZ-GXTWGEPZSA-N 2 1 356.379 3.149 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192789731 497215022 /nfs/dbraw/zinc/21/50/22/497215022.db2.gz WAGUJGNMMJRHTG-LJQANCHMSA-N 3 1 369.557 3.247 20 0 FGADMP C[C@H]([NH2+][C@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574963123 505892203 /nfs/dbraw/zinc/89/22/03/505892203.db2.gz ZXPMNIPBCRAIMU-JBACZVJFSA-N 2 1 363.505 3.292 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)C1 ZINC000192846413 497229090 /nfs/dbraw/zinc/22/90/90/497229090.db2.gz RIIZVJIKIYXPDJ-UYAOXDASSA-N 2 1 367.493 3.144 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237399099 497231388 /nfs/dbraw/zinc/23/13/88/497231388.db2.gz WMPYOIXGSBICLW-DYESRHJHSA-N 2 1 367.493 3.499 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237523343 497249552 /nfs/dbraw/zinc/24/95/52/497249552.db2.gz HFTUQNFHGPEKJC-KSCDAYEDSA-N 2 1 369.553 3.455 20 0 FGADMP C[C@H](CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237548136 497253064 /nfs/dbraw/zinc/25/30/64/497253064.db2.gz GRAXTFOPDHNSQV-LJQANCHMSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000275229638 497260705 /nfs/dbraw/zinc/26/07/05/497260705.db2.gz JGEAGJZDMFYEKC-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237627272 497265183 /nfs/dbraw/zinc/26/51/83/497265183.db2.gz SBVHTMNYGVZSEM-NRFANRHFSA-N 2 1 351.494 3.119 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000271105845 497265471 /nfs/dbraw/zinc/26/54/71/497265471.db2.gz ANKKRQPMBJPZCN-UHFFFAOYSA-N 2 1 356.470 3.112 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000271105845 497265476 /nfs/dbraw/zinc/26/54/76/497265476.db2.gz ANKKRQPMBJPZCN-UHFFFAOYSA-N 2 1 356.470 3.112 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)nnn1-c1cccc(Cl)c1 ZINC000278976073 497288450 /nfs/dbraw/zinc/28/84/50/497288450.db2.gz OESQEYQQMBLEAI-HIFRSBDPSA-N 2 1 370.888 3.339 20 0 FGADMP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCCC1 ZINC000237895870 497309194 /nfs/dbraw/zinc/30/91/94/497309194.db2.gz WJVZXIGRHDEDSF-SFHVURJKSA-N 2 1 369.534 3.235 20 0 FGADMP [NH3+]C1(C(=O)NC[C@@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCCC1 ZINC000237895870 497309200 /nfs/dbraw/zinc/30/92/00/497309200.db2.gz WJVZXIGRHDEDSF-SFHVURJKSA-N 2 1 369.534 3.235 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000252663257 497317017 /nfs/dbraw/zinc/31/70/17/497317017.db2.gz SKSKGACQAQDVLX-RVKKMQEKSA-N 2 1 360.889 3.124 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734005 497318720 /nfs/dbraw/zinc/31/87/20/497318720.db2.gz XTNWXBHSXRPQNA-FUHWJXTLSA-N 2 1 364.917 3.460 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734005 497318725 /nfs/dbraw/zinc/31/87/25/497318725.db2.gz XTNWXBHSXRPQNA-FUHWJXTLSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734005 497318729 /nfs/dbraw/zinc/31/87/29/497318729.db2.gz XTNWXBHSXRPQNA-FUHWJXTLSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@H]21 ZINC000252734005 497318734 /nfs/dbraw/zinc/31/87/34/497318734.db2.gz XTNWXBHSXRPQNA-FUHWJXTLSA-N 2 1 364.917 3.460 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000578264459 505899726 /nfs/dbraw/zinc/89/97/26/505899726.db2.gz WPDMZELWEJISBJ-HOTGVXAUSA-N 2 1 352.544 3.147 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000255058658 497356647 /nfs/dbraw/zinc/35/66/47/497356647.db2.gz NTJSLGRUSCUKRW-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000255058658 497356653 /nfs/dbraw/zinc/35/66/53/497356653.db2.gz NTJSLGRUSCUKRW-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000255058658 497356658 /nfs/dbraw/zinc/35/66/58/497356658.db2.gz NTJSLGRUSCUKRW-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424079 497398395 /nfs/dbraw/zinc/39/83/95/497398395.db2.gz JWDVMFPHQXSTEY-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424079 497398399 /nfs/dbraw/zinc/39/83/99/497398399.db2.gz JWDVMFPHQXSTEY-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424079 497398403 /nfs/dbraw/zinc/39/84/03/497398403.db2.gz JWDVMFPHQXSTEY-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424079 497398408 /nfs/dbraw/zinc/39/84/08/497398408.db2.gz JWDVMFPHQXSTEY-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424079 497398412 /nfs/dbraw/zinc/39/84/12/497398412.db2.gz JWDVMFPHQXSTEY-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000275691599 497404629 /nfs/dbraw/zinc/40/46/29/497404629.db2.gz RLKCOVBAGHBWAJ-UHFFFAOYSA-N 2 1 354.498 3.044 20 0 FGADMP CC[C@]1(CO)CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000190233498 497408795 /nfs/dbraw/zinc/40/87/95/497408795.db2.gz CBOWVZVMJUULMJ-QFIPXVFZSA-N 2 1 359.558 3.202 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000266760864 497414118 /nfs/dbraw/zinc/41/41/18/497414118.db2.gz PDBZRZTYWHVIHU-KRWDZBQOSA-N 2 1 372.513 3.051 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000266760864 497414121 /nfs/dbraw/zinc/41/41/21/497414121.db2.gz PDBZRZTYWHVIHU-KRWDZBQOSA-N 2 1 372.513 3.051 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000266760866 497414154 /nfs/dbraw/zinc/41/41/54/497414154.db2.gz PDBZRZTYWHVIHU-QGZVFWFLSA-N 2 1 372.513 3.051 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000266760866 497414160 /nfs/dbraw/zinc/41/41/60/497414160.db2.gz PDBZRZTYWHVIHU-QGZVFWFLSA-N 2 1 372.513 3.051 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000261697893 497435504 /nfs/dbraw/zinc/43/55/04/497435504.db2.gz LHLIXJUUPOBHSO-QFIPXVFZSA-N 2 1 361.493 3.164 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000261697893 497435508 /nfs/dbraw/zinc/43/55/08/497435508.db2.gz LHLIXJUUPOBHSO-QFIPXVFZSA-N 2 1 361.493 3.164 20 0 FGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426776 497475095 /nfs/dbraw/zinc/47/50/95/497475095.db2.gz QAOZMJFWGJJUHZ-RTWAWAEBSA-N 2 1 369.553 3.231 20 0 FGADMP CC(C)(C)N1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000245681762 497499510 /nfs/dbraw/zinc/49/95/10/497499510.db2.gz JAPXEFKGTJDIBG-LWYYNNOASA-N 2 1 355.526 3.171 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245680732 497499778 /nfs/dbraw/zinc/49/97/78/497499778.db2.gz IUFROUYUABRAKG-CIAFKFPVSA-N 3 1 359.558 3.128 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245680732 497499780 /nfs/dbraw/zinc/49/97/80/497499780.db2.gz IUFROUYUABRAKG-CIAFKFPVSA-N 2 1 359.558 3.128 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000245692687 497503358 /nfs/dbraw/zinc/50/33/58/497503358.db2.gz QMIPIJUIQXJWSE-APWZRJJASA-N 2 1 356.470 3.194 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000262143449 497515956 /nfs/dbraw/zinc/51/59/56/497515956.db2.gz MOBSMNWHBGJBBA-UHFFFAOYSA-N 2 1 368.319 3.018 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCSCc2ccccc2)C1 ZINC000193917942 497519455 /nfs/dbraw/zinc/51/94/55/497519455.db2.gz WQNDTPRRPUPKOL-OAQYLSRUSA-N 2 1 356.535 3.276 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759908 497530962 /nfs/dbraw/zinc/53/09/62/497530962.db2.gz VKQQDVNHMYMNAX-KAOXLYBCSA-N 2 1 371.569 3.128 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190592260 497537692 /nfs/dbraw/zinc/53/76/92/497537692.db2.gz DABDGZSIQXHIPQ-INIZCTEOSA-N 2 1 373.360 3.398 20 0 FGADMP O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245834699 497545765 /nfs/dbraw/zinc/54/57/65/497545765.db2.gz BUSBRMLSGXLTSA-OALUTQOASA-N 2 1 366.571 3.214 20 0 FGADMP O[C@H](COCc1cccs1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245834699 497545767 /nfs/dbraw/zinc/54/57/67/497545767.db2.gz BUSBRMLSGXLTSA-OALUTQOASA-N 2 1 366.571 3.214 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000245941385 497579928 /nfs/dbraw/zinc/57/99/28/497579928.db2.gz VDAKJPOWLBTDIF-CRAIPNDOSA-N 2 1 355.448 3.478 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000245983806 497589702 /nfs/dbraw/zinc/58/97/02/497589702.db2.gz HGQZOIDVSCZPMR-UYAOXDASSA-N 2 1 364.530 3.134 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000262670709 497595275 /nfs/dbraw/zinc/59/52/75/497595275.db2.gz RKPUTHRXXICXGV-QMMLZNLJSA-N 2 1 351.494 3.164 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262696628 497602163 /nfs/dbraw/zinc/60/21/63/497602163.db2.gz DXRLLCVPIVMFQC-XCRHUMRWSA-N 2 1 355.885 3.106 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(C)c(OC)c3)cc2)CC1 ZINC000194216530 497604447 /nfs/dbraw/zinc/60/44/47/497604447.db2.gz SQQXBSVWLCMYMV-UHFFFAOYSA-N 2 1 367.537 3.431 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132701 505917372 /nfs/dbraw/zinc/91/73/72/505917372.db2.gz MMNKSXQFBSXUPF-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000246123442 497629442 /nfs/dbraw/zinc/62/94/42/497629442.db2.gz VUANHENARUJXGY-VKJFTORMSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000246123442 497629449 /nfs/dbraw/zinc/62/94/49/497629449.db2.gz VUANHENARUJXGY-VKJFTORMSA-N 2 1 367.497 3.166 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246140176 497634186 /nfs/dbraw/zinc/63/41/86/497634186.db2.gz ZXVNMZVMKBUDOY-AEFFLSMTSA-N 2 1 369.513 3.225 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246140176 497634191 /nfs/dbraw/zinc/63/41/91/497634191.db2.gz ZXVNMZVMKBUDOY-AEFFLSMTSA-N 2 1 369.513 3.225 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000262870861 497643668 /nfs/dbraw/zinc/64/36/68/497643668.db2.gz MHQWAUSXDJMSLW-MBSDFSHPSA-N 2 1 365.521 3.409 20 0 FGADMP C[C@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000246169595 497646184 /nfs/dbraw/zinc/64/61/84/497646184.db2.gz BBGHVHVHOXXAMD-AOIWGVFYSA-N 2 1 359.514 3.044 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565366 497663590 /nfs/dbraw/zinc/66/35/90/497663590.db2.gz SNNPKMUFTSHWDT-FMWKFLBASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565366 497663597 /nfs/dbraw/zinc/66/35/97/497663597.db2.gz SNNPKMUFTSHWDT-FMWKFLBASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565366 497663603 /nfs/dbraw/zinc/66/36/03/497663603.db2.gz SNNPKMUFTSHWDT-FMWKFLBASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000246274737 497681311 /nfs/dbraw/zinc/68/13/11/497681311.db2.gz MBAHSFQCLCPHHY-HRQSHJORSA-N 2 1 351.494 3.102 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1F ZINC000246297791 497687790 /nfs/dbraw/zinc/68/77/90/497687790.db2.gz CTSNZVBIQOUZKU-ZOCIIQOWSA-N 2 1 350.478 3.253 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246304270 497690394 /nfs/dbraw/zinc/69/03/94/497690394.db2.gz DIIFDLLYJHIVGN-JENIJYKNSA-N 2 1 361.530 3.115 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C(C)=CCC[C@H]3C)CC2)CC1 ZINC000191066534 497697974 /nfs/dbraw/zinc/69/79/74/497697974.db2.gz OUMIREYGSBHZBR-CTNGQTDRSA-N 2 1 361.574 3.245 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360688 497707084 /nfs/dbraw/zinc/70/70/84/497707084.db2.gz KTIBIDBFAHTEHW-CEXWTWQISA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360688 497707086 /nfs/dbraw/zinc/70/70/86/497707086.db2.gz KTIBIDBFAHTEHW-CEXWTWQISA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360688 497707089 /nfs/dbraw/zinc/70/70/89/497707089.db2.gz KTIBIDBFAHTEHW-CEXWTWQISA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360688 497707091 /nfs/dbraw/zinc/70/70/91/497707091.db2.gz KTIBIDBFAHTEHW-CEXWTWQISA-N 2 1 364.505 3.152 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000272743656 497718450 /nfs/dbraw/zinc/71/84/50/497718450.db2.gz RJZKFLZVCQCJST-QGZVFWFLSA-N 2 1 374.529 3.179 20 0 FGADMP C[C@H]1COCC[N@@H+]1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254405 505926519 /nfs/dbraw/zinc/92/65/19/505926519.db2.gz NQKMICOOKSFTDI-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@H]1COCC[N@H+]1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254405 505926520 /nfs/dbraw/zinc/92/65/20/505926520.db2.gz NQKMICOOKSFTDI-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000246505064 497755627 /nfs/dbraw/zinc/75/56/27/497755627.db2.gz STVPRECLRXBPJN-ZVZYQTTQSA-N 2 1 374.447 3.056 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000194746700 497757433 /nfs/dbraw/zinc/75/74/33/497757433.db2.gz HPGAEHUCSJQMEI-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246516134 497759788 /nfs/dbraw/zinc/75/97/88/497759788.db2.gz INPMOQRTFKZCEW-SJLPKXTDSA-N 2 1 366.575 3.113 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000246514016 497760260 /nfs/dbraw/zinc/76/02/60/497760260.db2.gz UHZDOFFFKFPQQT-NYSBEXSLSA-N 2 1 363.521 3.310 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246791794 497811125 /nfs/dbraw/zinc/81/11/25/497811125.db2.gz AMEHTUXWNLMLSR-QZTJIDSGSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000246870868 497818025 /nfs/dbraw/zinc/81/80/25/497818025.db2.gz JNNJXSVBLAIKHN-ZWOKBUDYSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000246891053 497818938 /nfs/dbraw/zinc/81/89/38/497818938.db2.gz FKLDNRZFWAAQOM-FGTMMUONSA-N 2 1 366.571 3.499 20 0 FGADMP Cc1ccccc1C1(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1 ZINC000364379958 497928914 /nfs/dbraw/zinc/92/89/14/497928914.db2.gz HIGVGYLZISUSTI-FQEVSTJZSA-N 2 1 369.553 3.044 20 0 FGADMP CCC[NH+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000301056009 497932215 /nfs/dbraw/zinc/93/22/15/497932215.db2.gz IYWFDERFVGRTMM-UHFFFAOYSA-N 2 1 373.570 3.436 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000578512471 505958179 /nfs/dbraw/zinc/95/81/79/505958179.db2.gz VWERQVUYVPIXDB-UTKZUKDTSA-N 2 1 364.493 3.461 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000578512471 505958180 /nfs/dbraw/zinc/95/81/80/505958180.db2.gz VWERQVUYVPIXDB-UTKZUKDTSA-N 2 1 364.493 3.461 20 0 FGADMP Cc1noc(C2CCC([NH2+]Cc3ccccc3C[NH+]3CCOCC3)CC2)n1 ZINC000281051073 498000859 /nfs/dbraw/zinc/00/08/59/498000859.db2.gz QVMMKUVBZGPSGA-UHFFFAOYSA-N 2 1 370.497 3.026 20 0 FGADMP COc1cc(Br)ccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000578558466 505967012 /nfs/dbraw/zinc/96/70/12/505967012.db2.gz PDOWFWMJXPZAET-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP COc1cc(Br)ccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000578558466 505967016 /nfs/dbraw/zinc/96/70/16/505967016.db2.gz PDOWFWMJXPZAET-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)cc1 ZINC000575397729 505971455 /nfs/dbraw/zinc/97/14/55/505971455.db2.gz DXZATCVXQXDIGF-NHCUHLMSSA-N 2 1 373.541 3.027 20 0 FGADMP CC(C)O[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000292550863 498057338 /nfs/dbraw/zinc/05/73/38/498057338.db2.gz QXKUVTCCKQSCGR-FCHUYYIVSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000292550863 498057342 /nfs/dbraw/zinc/05/73/42/498057342.db2.gz QXKUVTCCKQSCGR-FCHUYYIVSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000292551745 498057457 /nfs/dbraw/zinc/05/74/57/498057457.db2.gz QXKUVTCCKQSCGR-YADHBBJMSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000292551745 498057463 /nfs/dbraw/zinc/05/74/63/498057463.db2.gz QXKUVTCCKQSCGR-YADHBBJMSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000292551745 498057469 /nfs/dbraw/zinc/05/74/69/498057469.db2.gz QXKUVTCCKQSCGR-YADHBBJMSA-N 2 1 359.558 3.255 20 0 FGADMP CC[NH+]1CCN(c2ccc(CNc3cc[nH+]c4ccsc43)cn2)CC1 ZINC000301384398 498085340 /nfs/dbraw/zinc/08/53/40/498085340.db2.gz WGNAUSKXPGMZGH-UHFFFAOYSA-N 2 1 353.495 3.445 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000581387009 505976662 /nfs/dbraw/zinc/97/66/62/505976662.db2.gz ZAAOJZUXBRTFOQ-QFIPXVFZSA-N 2 1 365.521 3.185 20 0 FGADMP CC[NH+](CC)[C@@H](c1nc([C@@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461627 498093826 /nfs/dbraw/zinc/09/38/26/498093826.db2.gz QSHWMNSLPLANLY-ZWKOTPCHSA-N 2 1 358.486 3.283 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000569620038 505978054 /nfs/dbraw/zinc/97/80/54/505978054.db2.gz XVJXNKUBLISHGP-FQEVSTJZSA-N 2 1 356.514 3.063 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CN(c2ccccc2)CCO1 ZINC000569620038 505978056 /nfs/dbraw/zinc/97/80/56/505978056.db2.gz XVJXNKUBLISHGP-FQEVSTJZSA-N 2 1 356.514 3.063 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402591 505979626 /nfs/dbraw/zinc/97/96/26/505979626.db2.gz STLLFUHZWYBZKK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000581402591 505979630 /nfs/dbraw/zinc/97/96/30/505979630.db2.gz STLLFUHZWYBZKK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000581402591 505979633 /nfs/dbraw/zinc/97/96/33/505979633.db2.gz STLLFUHZWYBZKK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619159 505982852 /nfs/dbraw/zinc/98/28/52/505982852.db2.gz BZQVKNOJIXLCQL-ZIAGYGMSSA-N 2 1 361.313 3.055 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1cccc(Cl)c1 ZINC000364852389 498174779 /nfs/dbraw/zinc/17/47/79/498174779.db2.gz UAIGUFKZJLPGLI-XLIONFOSSA-N 2 1 363.933 3.229 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000572534515 505991798 /nfs/dbraw/zinc/99/17/98/505991798.db2.gz GSUCLYBMVHFHJK-SFTDATJTSA-N 2 1 359.558 3.381 20 0 FGADMP CCC[N@@H+](CCC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000575748482 505996088 /nfs/dbraw/zinc/99/60/88/505996088.db2.gz FDQQRODSKNASGB-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc(C(C)C)n1 ZINC000301723155 498238834 /nfs/dbraw/zinc/23/88/34/498238834.db2.gz OBCLJPPGBZYGDR-RBUKOAKNSA-N 2 1 354.498 3.203 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C[C@H]21 ZINC000575803051 506008506 /nfs/dbraw/zinc/00/85/06/506008506.db2.gz ATPFVVFNCJADCX-APHBMKBZSA-N 2 1 355.404 3.093 20 0 FGADMP Cn1cc(C[N@H+]2C[C@@H]3[C@H](c4ccccc4)[NH+](C)C[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778100 498309732 /nfs/dbraw/zinc/30/97/32/498309732.db2.gz UHDHJGAPOHFICH-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@@H]3[C@H](c4ccccc4)[NH+](C)C[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778100 498309740 /nfs/dbraw/zinc/30/97/40/498309740.db2.gz UHDHJGAPOHFICH-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@@H]3[C@H](c4ccccc4)[N@@H+](C)C[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778100 498309749 /nfs/dbraw/zinc/30/97/49/498309749.db2.gz UHDHJGAPOHFICH-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@@H]3[C@H](c4ccccc4)[N@H+](C)C[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778100 498309756 /nfs/dbraw/zinc/30/97/56/498309756.db2.gz UHDHJGAPOHFICH-NWSQWKLXSA-N 2 1 373.504 3.217 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000365157286 498326375 /nfs/dbraw/zinc/32/63/75/498326375.db2.gz REUKCDUYBUOGHD-PXNSSMCTSA-N 2 1 374.554 3.008 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)COc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572594894 506006388 /nfs/dbraw/zinc/00/63/88/506006388.db2.gz ISFDZAKIFZDANY-HJNYFJLDSA-N 2 1 368.521 3.317 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@@H](C)C1 ZINC000581577536 506018891 /nfs/dbraw/zinc/01/88/91/506018891.db2.gz ITWYCPSVNANLEJ-GHTZIAJQSA-N 2 1 360.542 3.453 20 0 FGADMP CC(C)n1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)nn1 ZINC000289923728 498354420 /nfs/dbraw/zinc/35/44/20/498354420.db2.gz ZPKXJSIOXWTPTK-UHFFFAOYSA-N 2 1 356.518 3.249 20 0 FGADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000293409362 498375256 /nfs/dbraw/zinc/37/52/56/498375256.db2.gz YUZMCDWAZQLWKO-IBGZPJMESA-N 2 1 358.457 3.081 20 0 FGADMP COc1ccc(F)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000293409362 498375260 /nfs/dbraw/zinc/37/52/60/498375260.db2.gz YUZMCDWAZQLWKO-IBGZPJMESA-N 2 1 358.457 3.081 20 0 FGADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581596980 506024123 /nfs/dbraw/zinc/02/41/23/506024123.db2.gz RJQJTUNFRGRVSV-QYZOEREBSA-N 2 1 372.557 3.106 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000365273124 498382194 /nfs/dbraw/zinc/38/21/94/498382194.db2.gz YSPTUYOPCINNJR-VLCRHTCISA-N 2 1 368.525 3.160 20 0 FGADMP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730577 498422872 /nfs/dbraw/zinc/42/28/72/498422872.db2.gz YMYJKHVFOZLKNP-ICSRJNTNSA-N 2 1 357.542 3.041 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C2 ZINC000290097456 498427606 /nfs/dbraw/zinc/42/76/06/498427606.db2.gz HSZIRYAOPIZPQD-TZIWHRDSSA-N 2 1 366.509 3.016 20 0 FGADMP Clc1cccc(N2CCOCC2)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297448990 498452655 /nfs/dbraw/zinc/45/26/55/498452655.db2.gz HAPTXEBFNUHELA-UHFFFAOYSA-N 2 1 356.857 3.114 20 0 FGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000290192125 498458755 /nfs/dbraw/zinc/45/87/55/498458755.db2.gz FZKXOLVUANPPJE-FXAWDEMLSA-N 2 1 370.468 3.178 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1)C1CC1 ZINC000581669225 506040845 /nfs/dbraw/zinc/04/08/45/506040845.db2.gz JQFOQPCPURZMOF-SFHVURJKSA-N 2 1 364.493 3.134 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335514 498513427 /nfs/dbraw/zinc/51/34/27/498513427.db2.gz FBDZYOMZGGRSLI-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335514 498513431 /nfs/dbraw/zinc/51/34/31/498513431.db2.gz FBDZYOMZGGRSLI-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335514 498513433 /nfs/dbraw/zinc/51/34/33/498513433.db2.gz FBDZYOMZGGRSLI-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335514 498513438 /nfs/dbraw/zinc/51/34/38/498513438.db2.gz FBDZYOMZGGRSLI-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000578895409 506046484 /nfs/dbraw/zinc/04/64/84/506046484.db2.gz STYQQXZPHHNNFG-KRWDZBQOSA-N 2 1 358.555 3.325 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000365538550 498521547 /nfs/dbraw/zinc/52/15/47/498521547.db2.gz NEHRDZARCPFWFU-PCCBWWKXSA-N 2 1 355.526 3.085 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000290387307 498533569 /nfs/dbraw/zinc/53/35/69/498533569.db2.gz IMZKWCKPWNLQKF-QGZVFWFLSA-N 2 1 373.497 3.298 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O[C@H](C)C(=O)OC)cc1 ZINC000290387307 498533576 /nfs/dbraw/zinc/53/35/76/498533576.db2.gz IMZKWCKPWNLQKF-QGZVFWFLSA-N 2 1 373.497 3.298 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000578928009 506053391 /nfs/dbraw/zinc/05/33/91/506053391.db2.gz RRVJNPCIMIEJSM-UYAOXDASSA-N 2 1 360.546 3.160 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581724449 506054201 /nfs/dbraw/zinc/05/42/01/506054201.db2.gz FPIBBZJPLRJYQP-AEFFLSMTSA-N 2 1 355.885 3.119 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581724449 506054204 /nfs/dbraw/zinc/05/42/04/506054204.db2.gz FPIBBZJPLRJYQP-AEFFLSMTSA-N 2 1 355.885 3.119 20 0 FGADMP C[N@@H+]1CC[C@H](Nc2cc(NCC3CC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302816758 498586419 /nfs/dbraw/zinc/58/64/19/498586419.db2.gz ILMVOCMWIVBGGQ-LPHOPBHVSA-N 2 1 359.424 3.434 20 0 FGADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000576046569 506063567 /nfs/dbraw/zinc/06/35/67/506063567.db2.gz UCGJRCKKKMBVIN-QGZVFWFLSA-N 2 1 364.415 3.385 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccccn1 ZINC000572841095 506065752 /nfs/dbraw/zinc/06/57/52/506065752.db2.gz ATFIYZFCTIJQQO-IBGZPJMESA-N 2 1 364.493 3.197 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Nc1ccccn1 ZINC000572841095 506065753 /nfs/dbraw/zinc/06/57/53/506065753.db2.gz ATFIYZFCTIJQQO-IBGZPJMESA-N 2 1 364.493 3.197 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000365779186 498637750 /nfs/dbraw/zinc/63/77/50/498637750.db2.gz PANBDBVUAQSSGU-GOSISDBHSA-N 2 1 370.541 3.448 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000365779186 498637757 /nfs/dbraw/zinc/63/77/57/498637757.db2.gz PANBDBVUAQSSGU-GOSISDBHSA-N 2 1 370.541 3.448 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064439 498646777 /nfs/dbraw/zinc/64/67/77/498646777.db2.gz YKNSLHFGPCKUPE-TZIWHRDSSA-N 2 1 357.542 3.137 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000298106616 498666262 /nfs/dbraw/zinc/66/62/62/498666262.db2.gz NVTYSBOFVPKEGX-CQSZACIVSA-N 2 1 362.543 3.172 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000298106616 498666267 /nfs/dbraw/zinc/66/62/67/498666267.db2.gz NVTYSBOFVPKEGX-CQSZACIVSA-N 2 1 362.543 3.172 20 0 FGADMP CC[C@H]1C[C@H](C)CN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365843991 498666741 /nfs/dbraw/zinc/66/67/41/498666741.db2.gz SDNGHIVLFLUTQT-HKUYNNGSSA-N 2 1 364.578 3.013 20 0 FGADMP COc1ccc([C@@H]2[C@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@H+]2C)cc1 ZINC000363136489 498668368 /nfs/dbraw/zinc/66/83/68/498668368.db2.gz JDNDAWOBSLEOJH-QFBILLFUSA-N 2 1 353.470 3.110 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000282970420 498731255 /nfs/dbraw/zinc/73/12/55/498731255.db2.gz DCEZEIMBSQPCTD-LZQZEXGQSA-N 2 1 353.466 3.217 20 0 FGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690827 498760211 /nfs/dbraw/zinc/76/02/11/498760211.db2.gz QJWWSXHKXVYCDD-VXKWHMMOSA-N 2 1 368.521 3.155 20 0 FGADMP C[N@@H+](CCSc1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363379374 498789575 /nfs/dbraw/zinc/78/95/75/498789575.db2.gz PDTRARNIYUCSIG-UHFFFAOYSA-N 2 1 352.519 3.493 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncsc3C(C)C)CC2)CC1 ZINC000573018709 506099727 /nfs/dbraw/zinc/09/97/27/506099727.db2.gz AYTYMGKTEULBFC-UHFFFAOYSA-N 2 1 364.559 3.401 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)[C@@H]1C ZINC000366290721 498860648 /nfs/dbraw/zinc/86/06/48/498860648.db2.gz YZZQXNXFAFEPCS-CUGJGTHOSA-N 2 1 350.528 3.308 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)[C@@H]1C ZINC000366290721 498860654 /nfs/dbraw/zinc/86/06/54/498860654.db2.gz YZZQXNXFAFEPCS-CUGJGTHOSA-N 2 1 350.528 3.308 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366332258 498877651 /nfs/dbraw/zinc/87/76/51/498877651.db2.gz YVTIRGPGCVJGTA-NZSAHSFTSA-N 2 1 357.885 3.149 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000363562134 498879494 /nfs/dbraw/zinc/87/94/94/498879494.db2.gz IZZNQRQGIMFVDT-RTBURBONSA-N 2 1 373.566 3.357 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000363562131 498879539 /nfs/dbraw/zinc/87/95/39/498879539.db2.gz IZZNQRQGIMFVDT-MOPGFXCFSA-N 2 1 373.566 3.357 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581941829 506096190 /nfs/dbraw/zinc/09/61/90/506096190.db2.gz GUQYSUDORHQOAD-WMZOPIPTSA-N 2 1 355.885 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581941829 506096193 /nfs/dbraw/zinc/09/61/93/506096193.db2.gz GUQYSUDORHQOAD-WMZOPIPTSA-N 2 1 355.885 3.248 20 0 FGADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000287889631 498893736 /nfs/dbraw/zinc/89/37/36/498893736.db2.gz YYDUVTNHRIZBKG-SQNIBIBYSA-N 2 1 356.432 3.251 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295139473 498922242 /nfs/dbraw/zinc/92/22/42/498922242.db2.gz ZNFBXNFJWZUDMH-ALOPSCKCSA-N 2 1 360.452 3.482 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295139473 498922246 /nfs/dbraw/zinc/92/22/46/498922246.db2.gz ZNFBXNFJWZUDMH-ALOPSCKCSA-N 2 1 360.452 3.482 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c(-c2ccncc2)n1 ZINC000333409500 499001185 /nfs/dbraw/zinc/00/11/85/499001185.db2.gz GSHIEWHOPCYBDC-GOSISDBHSA-N 2 1 362.481 3.004 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000570273631 506130360 /nfs/dbraw/zinc/13/03/60/506130360.db2.gz PSDNJFCTJQXESG-QHCPKHFHSA-N 2 1 370.537 3.222 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(CNc2cc[nH+]cc2-c2cccnc2)c1 ZINC000366823467 499086110 /nfs/dbraw/zinc/08/61/10/499086110.db2.gz UTNDVXQDGPZUEL-UHFFFAOYSA-N 2 1 360.461 3.010 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000364046344 499098842 /nfs/dbraw/zinc/09/88/42/499098842.db2.gz BZKMIGMDQHFWQF-TTYHFUOFSA-N 2 1 366.933 3.027 20 0 FGADMP Cc1ccc(CCCC(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)s1 ZINC000364175086 499127518 /nfs/dbraw/zinc/12/75/18/499127518.db2.gz HJIQRYWQGAQENB-GOSISDBHSA-N 2 1 363.571 3.006 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366997018 499131538 /nfs/dbraw/zinc/13/15/38/499131538.db2.gz PXHWQTYTNSRNAJ-VQIMIIECSA-N 2 1 362.543 3.154 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366997018 499131539 /nfs/dbraw/zinc/13/15/39/499131539.db2.gz PXHWQTYTNSRNAJ-VQIMIIECSA-N 2 1 362.543 3.154 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@@H](O)c2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000372531516 499140710 /nfs/dbraw/zinc/14/07/10/499140710.db2.gz FKEJIBLIDLOONR-KSEOMHKRSA-N 2 1 370.541 3.167 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000369871831 499142277 /nfs/dbraw/zinc/14/22/77/499142277.db2.gz JLHUIVJAXMSZCW-YLJYHZDGSA-N 2 1 364.578 3.155 20 0 FGADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576337833 506134103 /nfs/dbraw/zinc/13/41/03/506134103.db2.gz UUBUHLQVJUHULF-GGAORHGYSA-N 2 1 366.505 3.299 20 0 FGADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576337833 506134107 /nfs/dbraw/zinc/13/41/07/506134107.db2.gz UUBUHLQVJUHULF-GGAORHGYSA-N 2 1 366.505 3.299 20 0 FGADMP CO[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288614 499173886 /nfs/dbraw/zinc/17/38/86/499173886.db2.gz HILCEMZRNIDYPZ-WOJBJXKFSA-N 2 1 365.949 3.128 20 0 FGADMP CO[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288613 499173955 /nfs/dbraw/zinc/17/39/55/499173955.db2.gz HILCEMZRNIDYPZ-VQTJNVASSA-N 2 1 365.949 3.128 20 0 FGADMP C(C[NH+]1CCCCC1)C[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000372905985 499192697 /nfs/dbraw/zinc/19/26/97/499192697.db2.gz ZDCUFQPWRQZMHK-LJQANCHMSA-N 2 1 371.573 3.450 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cc2)C[C@H](C)O1 ZINC000367614415 499217906 /nfs/dbraw/zinc/21/79/06/499217906.db2.gz HUDIQLYRCBYLAZ-GQIGUUNPSA-N 2 1 354.498 3.186 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CCOC3CCC3)CC2)c1C ZINC000367875370 499240783 /nfs/dbraw/zinc/24/07/83/499240783.db2.gz TUYGKFDSZFDJMK-UHFFFAOYSA-N 2 1 361.530 3.172 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CCOC3CCC3)CC2)c1C ZINC000367875370 499240784 /nfs/dbraw/zinc/24/07/84/499240784.db2.gz TUYGKFDSZFDJMK-UHFFFAOYSA-N 2 1 361.530 3.172 20 0 FGADMP C[C@H](NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1cccs1 ZINC000367907170 499243997 /nfs/dbraw/zinc/24/39/97/499243997.db2.gz SNRZVZOKARIQAO-INIZCTEOSA-N 2 1 372.538 3.169 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc12 ZINC000370698838 499245673 /nfs/dbraw/zinc/24/56/73/499245673.db2.gz KISJEAGISXEUIV-GCJKJVERSA-N 2 1 367.537 3.306 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000367999482 499253458 /nfs/dbraw/zinc/25/34/58/499253458.db2.gz UYKZVRIQIBBSKD-OTWHNJEPSA-N 2 1 357.498 3.256 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1C ZINC000368020305 499255876 /nfs/dbraw/zinc/25/58/76/499255876.db2.gz VBKDXCHJCWNHTN-QAPCUYQASA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1C ZINC000368020305 499255877 /nfs/dbraw/zinc/25/58/77/499255877.db2.gz VBKDXCHJCWNHTN-QAPCUYQASA-N 2 1 361.511 3.046 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(c4ccccn4)C3)c2)CCO1 ZINC000368031290 499257330 /nfs/dbraw/zinc/25/73/30/499257330.db2.gz SRCUXFGGPYZFRF-RPCJCACASA-N 2 1 351.494 3.338 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(c4ccccn4)C3)c2)CCO1 ZINC000368031290 499257332 /nfs/dbraw/zinc/25/73/32/499257332.db2.gz SRCUXFGGPYZFRF-RPCJCACASA-N 2 1 351.494 3.338 20 0 FGADMP CC(C)N1CCc2nc(C[N@@H+]3CCCCC[C@@H]3C[C@@H](C)O)sc2C1 ZINC000368037989 499258306 /nfs/dbraw/zinc/25/83/06/499258306.db2.gz OCVCTRCUIPFBEM-HZPDHXFCSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC[C@@H]3C[C@@H](C)O)sc2C1 ZINC000368037989 499258308 /nfs/dbraw/zinc/25/83/08/499258308.db2.gz OCVCTRCUIPFBEM-HZPDHXFCSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC[C@@H]3C[C@@H](C)O)sc2C1 ZINC000368037989 499258311 /nfs/dbraw/zinc/25/83/11/499258311.db2.gz OCVCTRCUIPFBEM-HZPDHXFCSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC[C@@H]3C[C@@H](C)O)sc2C1 ZINC000368037989 499258313 /nfs/dbraw/zinc/25/83/13/499258313.db2.gz OCVCTRCUIPFBEM-HZPDHXFCSA-N 2 1 351.560 3.425 20 0 FGADMP C[N@@H+](Cc1ccc(CO)cc1)[C@H]1CCC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000368055088 499260302 /nfs/dbraw/zinc/26/03/02/499260302.db2.gz DFNKAKMGPPCRBW-QHCPKHFHSA-N 2 1 368.521 3.158 20 0 FGADMP C[NH+](Cc1ccc(CO)cc1)[C@H]1CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055088 499260303 /nfs/dbraw/zinc/26/03/03/499260303.db2.gz DFNKAKMGPPCRBW-QHCPKHFHSA-N 2 1 368.521 3.158 20 0 FGADMP C[NH+](Cc1ccc(CO)cc1)[C@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055088 499260304 /nfs/dbraw/zinc/26/03/04/499260304.db2.gz DFNKAKMGPPCRBW-QHCPKHFHSA-N 2 1 368.521 3.158 20 0 FGADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000371091050 499287669 /nfs/dbraw/zinc/28/76/69/499287669.db2.gz XCIRUVCVCVXLNF-UHFFFAOYSA-N 2 1 355.482 3.276 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241527 499301291 /nfs/dbraw/zinc/30/12/91/499301291.db2.gz CRXKSABLTPNTSY-QKNQBKEWSA-N 2 1 373.516 3.028 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@@H+]2C)cc1 ZINC000368492516 499301439 /nfs/dbraw/zinc/30/14/39/499301439.db2.gz CVGUQNUYDHAPFB-HKEJHHQYSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@H+]2C)cc1 ZINC000368492516 499301440 /nfs/dbraw/zinc/30/14/40/499301440.db2.gz CVGUQNUYDHAPFB-HKEJHHQYSA-N 2 1 373.541 3.115 20 0 FGADMP Cc1ccncc1CCC[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368571185 499309058 /nfs/dbraw/zinc/30/90/58/499309058.db2.gz DAAREXBJZQPVIS-UHFFFAOYSA-N 3 1 358.574 3.109 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000368575173 499309224 /nfs/dbraw/zinc/30/92/24/499309224.db2.gz INWCAZYRLQOQIR-KSSFIOAISA-N 2 1 362.495 3.254 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000371335903 499312456 /nfs/dbraw/zinc/31/24/56/499312456.db2.gz MKXFRBCDOUYUKE-QHCPKHFHSA-N 2 1 364.537 3.349 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368609003 499313170 /nfs/dbraw/zinc/31/31/70/499313170.db2.gz UNECOVSMSWGPFG-ICUGJSFKSA-N 2 1 351.535 3.094 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1)C2 ZINC000371491617 499333751 /nfs/dbraw/zinc/33/37/51/499333751.db2.gz SVFBATFBBREHRV-CPUCHLNUSA-N 2 1 360.889 3.015 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000371586021 499344503 /nfs/dbraw/zinc/34/45/03/499344503.db2.gz WABHJGCFGNXEFQ-CVEARBPZSA-N 2 1 367.497 3.191 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000371586021 499344505 /nfs/dbraw/zinc/34/45/05/499344505.db2.gz WABHJGCFGNXEFQ-CVEARBPZSA-N 2 1 367.497 3.191 20 0 FGADMP O=C(NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000573205762 506143375 /nfs/dbraw/zinc/14/33/75/506143375.db2.gz ANASVTSWVLTNSS-FQEVSTJZSA-N 2 1 355.526 3.080 20 0 FGADMP O=C(NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000573205762 506143377 /nfs/dbraw/zinc/14/33/77/506143377.db2.gz ANASVTSWVLTNSS-FQEVSTJZSA-N 2 1 355.526 3.080 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1c1ccccc1 ZINC000371927508 499380509 /nfs/dbraw/zinc/38/05/09/499380509.db2.gz PYISKMXZWJQZAQ-RBBKRZOGSA-N 2 1 350.510 3.464 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000372189841 499406957 /nfs/dbraw/zinc/40/69/57/499406957.db2.gz BNRYCMAQCYIJJG-INIZCTEOSA-N 2 1 354.458 3.232 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000372189841 499406959 /nfs/dbraw/zinc/40/69/59/499406959.db2.gz BNRYCMAQCYIJJG-INIZCTEOSA-N 2 1 354.458 3.232 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000369547576 499415563 /nfs/dbraw/zinc/41/55/63/499415563.db2.gz GEOWNMHUESTXSW-UHOSZYNNSA-N 2 1 357.523 3.160 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000369547576 499415564 /nfs/dbraw/zinc/41/55/64/499415564.db2.gz GEOWNMHUESTXSW-UHOSZYNNSA-N 2 1 357.523 3.160 20 0 FGADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369571211 499420340 /nfs/dbraw/zinc/42/03/40/499420340.db2.gz VRCBMAQBFUGWIE-NSHGMRRFSA-N 2 1 371.550 3.030 20 0 FGADMP C[C@@H]([NH2+]CCCOCC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372346142 499423537 /nfs/dbraw/zinc/42/35/37/499423537.db2.gz JJEPMPYQXPSLRS-DENIHFKCSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000372411751 499431629 /nfs/dbraw/zinc/43/16/29/499431629.db2.gz JILMMXJKMQOHRX-LMVRJCEZSA-N 2 1 357.542 3.039 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000369766948 499441715 /nfs/dbraw/zinc/44/17/15/499441715.db2.gz PACVCTHEXWMSEQ-IFMALSPDSA-N 2 1 359.558 3.030 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000373205776 499457297 /nfs/dbraw/zinc/45/72/97/499457297.db2.gz WEIICBQYLGTISZ-IBGZPJMESA-N 2 1 372.557 3.341 20 0 FGADMP C[C@@H](CS(=O)(=O)c1ccccc1)NCc1cccc(-c2nccn2C)c1 ZINC000373253864 499459920 /nfs/dbraw/zinc/45/99/20/499459920.db2.gz CCBMTLSYOJRDMI-INIZCTEOSA-N 2 1 369.490 3.039 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000373698966 499483888 /nfs/dbraw/zinc/48/38/88/499483888.db2.gz WFYXLTRAOKUMEG-YPAWHYETSA-N 2 1 358.526 3.204 20 0 FGADMP Cc1csc(=O)n1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378301273 499499625 /nfs/dbraw/zinc/49/96/25/499499625.db2.gz IHPVCBCBTASOIE-UHFFFAOYSA-N 2 1 371.550 3.206 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC([NH2+]C4CCCC4)CC3)C2)cc1 ZINC000375325879 499507652 /nfs/dbraw/zinc/50/76/52/499507652.db2.gz HXPIGXJFCXRUGI-QHCPKHFHSA-N 2 1 371.569 3.274 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368297 499507820 /nfs/dbraw/zinc/50/78/20/499507820.db2.gz GLPKUACTOBAUAM-BAGYTPMASA-N 2 1 351.494 3.432 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425928 499515785 /nfs/dbraw/zinc/51/57/85/499515785.db2.gz GTGVSYCSXUZYIJ-MAUKXSAKSA-N 2 1 367.484 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449305 499520617 /nfs/dbraw/zinc/52/06/17/499520617.db2.gz PGKNQBZOPRRVFN-DNVJHFABSA-N 2 1 368.521 3.237 20 0 FGADMP O=C1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000375484776 499524491 /nfs/dbraw/zinc/52/44/91/499524491.db2.gz DHESSJJBNLBQMS-IJEWVQPXSA-N 2 1 368.308 3.315 20 0 FGADMP CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000375484659 499524524 /nfs/dbraw/zinc/52/45/24/499524524.db2.gz OKLTVLPVKKTMRC-INIZCTEOSA-N 2 1 374.451 3.088 20 0 FGADMP CCC[N@H+](C[C@@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375484659 499524525 /nfs/dbraw/zinc/52/45/25/499524525.db2.gz OKLTVLPVKKTMRC-INIZCTEOSA-N 2 1 374.451 3.088 20 0 FGADMP CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375484659 499524526 /nfs/dbraw/zinc/52/45/26/499524526.db2.gz OKLTVLPVKKTMRC-INIZCTEOSA-N 2 1 374.451 3.088 20 0 FGADMP C[C@@H](NCC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839753 499552058 /nfs/dbraw/zinc/55/20/58/499552058.db2.gz XXZVYVGUMSWMGL-SJLPKXTDSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839753 499552060 /nfs/dbraw/zinc/55/20/60/499552060.db2.gz XXZVYVGUMSWMGL-SJLPKXTDSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839753 499552062 /nfs/dbraw/zinc/55/20/62/499552062.db2.gz XXZVYVGUMSWMGL-SJLPKXTDSA-N 2 1 355.457 3.264 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000376318097 499599972 /nfs/dbraw/zinc/59/99/72/499599972.db2.gz FSEGSHPPCJDAPO-XMSQKQJNSA-N 2 1 365.521 3.437 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)CC2)[nH+]1 ZINC000376831821 499638749 /nfs/dbraw/zinc/63/87/49/499638749.db2.gz BJFDHFCMAFHFAC-KRWDZBQOSA-N 2 1 362.481 3.290 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000410371191 499658344 /nfs/dbraw/zinc/65/83/44/499658344.db2.gz SLFDBERWCSLWGW-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000377265836 499675113 /nfs/dbraw/zinc/67/51/13/499675113.db2.gz HPEKSKWSBMDBPK-AWEZNQCLSA-N 2 1 357.408 3.264 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000377265836 499675114 /nfs/dbraw/zinc/67/51/14/499675114.db2.gz HPEKSKWSBMDBPK-AWEZNQCLSA-N 2 1 357.408 3.264 20 0 FGADMP Cc1csc2nc(C[NH+]3CCC(C[NH+]4CCC(C)CC4)CC3)cc(=O)n12 ZINC000377548469 499703249 /nfs/dbraw/zinc/70/32/49/499703249.db2.gz OBGRWCSHGIJUCV-UHFFFAOYSA-N 2 1 374.554 3.008 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000377618134 499710870 /nfs/dbraw/zinc/71/08/70/499710870.db2.gz BKKORSDVAWRKEF-LJQANCHMSA-N 2 1 353.510 3.406 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626229 499712100 /nfs/dbraw/zinc/71/21/00/499712100.db2.gz MEAAAGDZOBJFSL-DENIHFKCSA-N 2 1 357.542 3.173 20 0 FGADMP CN1CCN([C@H]2CCCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377689441 499720374 /nfs/dbraw/zinc/72/03/74/499720374.db2.gz BPRPFOVBACTPDD-SFHVURJKSA-N 2 1 362.587 3.403 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377689441 499720376 /nfs/dbraw/zinc/72/03/76/499720376.db2.gz BPRPFOVBACTPDD-SFHVURJKSA-N 2 1 362.587 3.403 20 0 FGADMP C[N@H+](CCN1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1)Cc1ccccc1 ZINC000411282493 499721425 /nfs/dbraw/zinc/72/14/25/499721425.db2.gz UZPZGOMGMISNTB-GOTSBHOMSA-N 2 1 367.512 3.431 20 0 FGADMP C[N@@H+](CCN1CC[NH+]([C@H]2C[C@H]2c2cccc(F)c2)CC1)Cc1ccccc1 ZINC000411282493 499721426 /nfs/dbraw/zinc/72/14/26/499721426.db2.gz UZPZGOMGMISNTB-GOTSBHOMSA-N 2 1 367.512 3.431 20 0 FGADMP Cc1ccccc1-n1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000377705028 499723179 /nfs/dbraw/zinc/72/31/79/499723179.db2.gz QZTDNRSXTTVAJT-UHFFFAOYSA-N 2 1 362.481 3.072 20 0 FGADMP Cc1ccccc1-n1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000377705028 499723180 /nfs/dbraw/zinc/72/31/80/499723180.db2.gz QZTDNRSXTTVAJT-UHFFFAOYSA-N 2 1 362.481 3.072 20 0 FGADMP C[C@]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)(C(N)=O)c1ccccc1 ZINC000411363553 499729644 /nfs/dbraw/zinc/72/96/44/499729644.db2.gz XWZRBCGEQPPGTI-JOCHJYFZSA-N 2 1 351.494 3.163 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000411364874 499729917 /nfs/dbraw/zinc/72/99/17/499729917.db2.gz BDVIDQXJSOHGNJ-JOCHJYFZSA-N 2 1 369.484 3.105 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000377769726 499730836 /nfs/dbraw/zinc/73/08/36/499730836.db2.gz CKUDINDUJWMMPB-JKLQHZFJSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769726 499730838 /nfs/dbraw/zinc/73/08/38/499730838.db2.gz CKUDINDUJWMMPB-JKLQHZFJSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769726 499730840 /nfs/dbraw/zinc/73/08/40/499730840.db2.gz CKUDINDUJWMMPB-JKLQHZFJSA-N 2 1 369.553 3.372 20 0 FGADMP CSc1cc2c(cc1C[N@H+](C)C[C@@H]1CCn3cc[nH+]c3C1)OCCO2 ZINC000377862542 499743155 /nfs/dbraw/zinc/74/31/55/499743155.db2.gz XSMOEBQEQWXQHK-CQSZACIVSA-N 2 1 359.495 3.071 20 0 FGADMP CSc1cc2c(cc1C[N@@H+](C)C[C@@H]1CCn3cc[nH+]c3C1)OCCO2 ZINC000377862542 499743156 /nfs/dbraw/zinc/74/31/56/499743156.db2.gz XSMOEBQEQWXQHK-CQSZACIVSA-N 2 1 359.495 3.071 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000579369718 506158088 /nfs/dbraw/zinc/15/80/88/506158088.db2.gz LALMCPXGOFTNPP-IRXDYDNUSA-N 2 1 354.281 3.250 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000579369718 506158090 /nfs/dbraw/zinc/15/80/90/506158090.db2.gz LALMCPXGOFTNPP-IRXDYDNUSA-N 2 1 354.281 3.250 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000378167906 499761734 /nfs/dbraw/zinc/76/17/34/499761734.db2.gz XYRFOORZEIOZTK-BVYCBKJFSA-N 3 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000378167906 499761735 /nfs/dbraw/zinc/76/17/35/499761735.db2.gz XYRFOORZEIOZTK-BVYCBKJFSA-N 3 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000378167906 499761736 /nfs/dbraw/zinc/76/17/36/499761736.db2.gz XYRFOORZEIOZTK-BVYCBKJFSA-N 3 1 359.558 3.117 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000378167906 499761737 /nfs/dbraw/zinc/76/17/37/499761737.db2.gz XYRFOORZEIOZTK-BVYCBKJFSA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000378167906 499761738 /nfs/dbraw/zinc/76/17/38/499761738.db2.gz XYRFOORZEIOZTK-BVYCBKJFSA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000378167907 499761846 /nfs/dbraw/zinc/76/18/46/499761846.db2.gz XYRFOORZEIOZTK-STZQEDGTSA-N 3 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000378167907 499761847 /nfs/dbraw/zinc/76/18/47/499761847.db2.gz XYRFOORZEIOZTK-STZQEDGTSA-N 3 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000378167907 499761848 /nfs/dbraw/zinc/76/18/48/499761848.db2.gz XYRFOORZEIOZTK-STZQEDGTSA-N 3 1 359.558 3.117 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000378167907 499761849 /nfs/dbraw/zinc/76/18/49/499761849.db2.gz XYRFOORZEIOZTK-STZQEDGTSA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000378167907 499761850 /nfs/dbraw/zinc/76/18/50/499761850.db2.gz XYRFOORZEIOZTK-STZQEDGTSA-N 2 1 359.558 3.117 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189753 499767182 /nfs/dbraw/zinc/76/71/82/499767182.db2.gz RHKSWWOBDGIMEG-ROUUACIJSA-N 2 1 356.514 3.382 20 0 FGADMP COCC[N@H+](Cc1ccnn1C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411702511 499780222 /nfs/dbraw/zinc/78/02/22/499780222.db2.gz WPNIHZYXXHVJGS-UHFFFAOYSA-N 2 1 356.514 3.055 20 0 FGADMP COCC[N@@H+](Cc1ccnn1C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411702511 499780223 /nfs/dbraw/zinc/78/02/23/499780223.db2.gz WPNIHZYXXHVJGS-UHFFFAOYSA-N 2 1 356.514 3.055 20 0 FGADMP O=C([C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)N1CCCC1 ZINC000411739200 499784913 /nfs/dbraw/zinc/78/49/13/499784913.db2.gz MYVWCFMOGUEQPU-NRFANRHFSA-N 2 1 355.526 3.117 20 0 FGADMP CC(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000411767638 499788467 /nfs/dbraw/zinc/78/84/67/499788467.db2.gz ODXXQWCNWDVVKV-FGZHOGPDSA-N 2 1 364.574 3.408 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414529077 499803501 /nfs/dbraw/zinc/80/35/01/499803501.db2.gz PKZQANMJCDKJRM-LNRXMEIDSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H]1CCO[C@@H](CC)C1 ZINC000414529077 499803502 /nfs/dbraw/zinc/80/35/02/499803502.db2.gz PKZQANMJCDKJRM-LNRXMEIDSA-N 2 1 360.542 3.318 20 0 FGADMP OCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C2CC3CC(C2)CC1C3 ZINC000414565269 499809976 /nfs/dbraw/zinc/80/99/76/499809976.db2.gz WFVHHVSTUBZPFM-UHFFFAOYSA-N 2 1 368.565 3.470 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000414666626 499818756 /nfs/dbraw/zinc/81/87/56/499818756.db2.gz GLPFTXZZDODVHG-IHPCNDPISA-N 2 1 352.526 3.398 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000414666624 499818764 /nfs/dbraw/zinc/81/87/64/499818764.db2.gz GLPFTXZZDODVHG-DFQSSKMNSA-N 2 1 352.526 3.398 20 0 FGADMP Cc1ccc(NCCCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)[nH+]c1 ZINC000412114468 499824823 /nfs/dbraw/zinc/82/48/23/499824823.db2.gz FOAIUIDXKIVOBR-UHFFFAOYSA-N 2 1 366.509 3.030 20 0 FGADMP COCC[N@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414756216 499827081 /nfs/dbraw/zinc/82/70/81/499827081.db2.gz JDAPCLQYZXHBBY-CHWSQXEVSA-N 2 1 361.349 3.347 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777868 499830031 /nfs/dbraw/zinc/83/00/31/499830031.db2.gz INXVTPIHTLAQMO-HUUCEWRRSA-N 2 1 350.528 3.247 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832825 499835566 /nfs/dbraw/zinc/83/55/66/499835566.db2.gz DYGQKNHKFHYXNG-OXQOHEQNSA-N 2 1 371.525 3.339 20 0 FGADMP COc1ccc(C[NH2+]CC2([NH3+])CCCCC2)cc1OCc1cccnc1 ZINC000414848027 499837477 /nfs/dbraw/zinc/83/74/77/499837477.db2.gz VPMWLHLRNKMTPQ-UHFFFAOYSA-N 2 1 355.482 3.420 20 0 FGADMP C[NH2+][C@@H]1CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000414913860 499844244 /nfs/dbraw/zinc/84/42/44/499844244.db2.gz XGXCRSQKWWNICA-GOSISDBHSA-N 2 1 355.486 3.271 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414951604 499847926 /nfs/dbraw/zinc/84/79/26/499847926.db2.gz HRFHBHDPVHGDIY-PXAZEXFGSA-N 2 1 363.303 3.031 20 0 FGADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(Br)c1OC ZINC000415061247 499859705 /nfs/dbraw/zinc/85/97/05/499859705.db2.gz ZTIQGBSPAXYALB-HNNXBMFYSA-N 2 1 371.319 3.464 20 0 FGADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OCc1cccnc1 ZINC000415063272 499860026 /nfs/dbraw/zinc/86/00/26/499860026.db2.gz HNNWPDYJRSOYMX-LJQANCHMSA-N 2 1 355.482 3.276 20 0 FGADMP Brc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000415073184 499860817 /nfs/dbraw/zinc/86/08/17/499860817.db2.gz YAUAIZIBCFTBJW-UHFFFAOYSA-N 2 1 362.109 3.443 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000415100309 499863299 /nfs/dbraw/zinc/86/32/99/499863299.db2.gz ABGFXVCDHCKNBH-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105705 499864211 /nfs/dbraw/zinc/86/42/11/499864211.db2.gz NDLJBDZSKWVVBO-DBXWQHBBSA-N 2 1 354.498 3.464 20 0 FGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105705 499864212 /nfs/dbraw/zinc/86/42/12/499864212.db2.gz NDLJBDZSKWVVBO-DBXWQHBBSA-N 2 1 354.498 3.464 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1C[NH3+] ZINC000415119985 499866119 /nfs/dbraw/zinc/86/61/19/499866119.db2.gz FPLXGKSFKOCFFO-MJGOQNOKSA-N 2 1 361.493 3.351 20 0 FGADMP C[C@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000415884681 499924505 /nfs/dbraw/zinc/92/45/05/499924505.db2.gz QNTARFOSRMVTHE-QGZVFWFLSA-N 2 1 366.509 3.364 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415909379 499927477 /nfs/dbraw/zinc/92/74/77/499927477.db2.gz FWSSYRGZDKTJTJ-IBGZPJMESA-N 2 1 352.482 3.144 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000415937969 499930749 /nfs/dbraw/zinc/93/07/49/499930749.db2.gz ZUQCLEQHGGXEFJ-FQEVSTJZSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000415937969 499930750 /nfs/dbraw/zinc/93/07/50/499930750.db2.gz ZUQCLEQHGGXEFJ-FQEVSTJZSA-N 2 1 366.509 3.187 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000415937013 499930756 /nfs/dbraw/zinc/93/07/56/499930756.db2.gz WVHVFDDWORXEGH-GOSISDBHSA-N 2 1 360.889 3.484 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954621 499932928 /nfs/dbraw/zinc/93/29/28/499932928.db2.gz KXFLEDOOJAOKHK-MLGOLLRUSA-N 2 1 372.435 3.358 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965984 499934766 /nfs/dbraw/zinc/93/47/66/499934766.db2.gz FZXLZEIQINVGGU-GFCCVEGCSA-N 2 1 358.408 3.160 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974737 499936087 /nfs/dbraw/zinc/93/60/87/499936087.db2.gz SASZXYVMFRPRGL-XHDPSFHLSA-N 2 1 358.408 3.111 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984103 499937244 /nfs/dbraw/zinc/93/72/44/499937244.db2.gz OPUQBKZVZIPQPN-FXAWDEMLSA-N 2 1 366.509 3.438 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988548 499938028 /nfs/dbraw/zinc/93/80/28/499938028.db2.gz DFJDGODGXZAGRX-IRXDYDNUSA-N 2 1 364.493 3.417 20 0 FGADMP C[N@@H+](CCCNC(=O)N(CCC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000417040969 499955662 /nfs/dbraw/zinc/95/56/62/499955662.db2.gz VWRNEMPDKPBVPY-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1cc(NC(=O)CC[N@H+]2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000416243549 499993373 /nfs/dbraw/zinc/99/33/73/499993373.db2.gz BGFVMVCOBRKMLF-UHFFFAOYSA-N 2 1 351.494 3.444 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417236576 500013994 /nfs/dbraw/zinc/01/39/94/500013994.db2.gz GDGYHVKFRYAEAZ-CEXWTWQISA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000421681427 500115364 /nfs/dbraw/zinc/11/53/64/500115364.db2.gz XCZNWLRRDMWNRL-ZDTVFLJBSA-N 2 1 369.553 3.278 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692788 500125043 /nfs/dbraw/zinc/12/50/43/500125043.db2.gz WLCDRRMYVCCBPN-DHIUTWEWSA-N 2 1 365.521 3.464 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692788 500125046 /nfs/dbraw/zinc/12/50/46/500125046.db2.gz WLCDRRMYVCCBPN-DHIUTWEWSA-N 2 1 365.521 3.464 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000414061131 500141727 /nfs/dbraw/zinc/14/17/27/500141727.db2.gz BPYHAGNOCFDHPL-AWEZNQCLSA-N 2 1 354.429 3.444 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C1 ZINC000579454598 506179393 /nfs/dbraw/zinc/17/93/93/506179393.db2.gz OBQYJBDLIZPWCS-VQIMIIECSA-N 2 1 372.538 3.027 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000582300864 506180423 /nfs/dbraw/zinc/18/04/23/506180423.db2.gz GXACUPFIUHHUMF-KURKYZTESA-N 2 1 364.555 3.266 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@H]1C[NH3+] ZINC000416975494 500172790 /nfs/dbraw/zinc/17/27/90/500172790.db2.gz MVNXMUMIHQZPBB-DBXWQHBBSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416984259 500174913 /nfs/dbraw/zinc/17/49/13/500174913.db2.gz XZSFWJXBJKAPAJ-ROUUACIJSA-N 2 1 360.546 3.378 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416987024 500176483 /nfs/dbraw/zinc/17/64/83/500176483.db2.gz JRPUFOIULDVKAY-CEXWTWQISA-N 2 1 374.573 3.481 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300441 506180872 /nfs/dbraw/zinc/18/08/72/506180872.db2.gz GLFKJPGDBOVIIA-UXHICEINSA-N 2 1 373.516 3.027 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300441 506180873 /nfs/dbraw/zinc/18/08/73/506180873.db2.gz GLFKJPGDBOVIIA-UXHICEINSA-N 2 1 373.516 3.027 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000417852334 500184650 /nfs/dbraw/zinc/18/46/50/500184650.db2.gz HAYZZFOGIJDYSB-CRAIPNDOSA-N 2 1 355.486 3.073 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000417874487 500189170 /nfs/dbraw/zinc/18/91/70/500189170.db2.gz KLRLDQJJBLNAEG-XLIONFOSSA-N 2 1 360.546 3.187 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463573 506181560 /nfs/dbraw/zinc/18/15/60/506181560.db2.gz ZXKCJLAYUOQHHF-QUCCMNQESA-N 2 1 368.949 3.175 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417920682 500198385 /nfs/dbraw/zinc/19/83/85/500198385.db2.gz QRAXMYNEWGRAIW-UXHICEINSA-N 2 1 360.546 3.276 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417935568 500200550 /nfs/dbraw/zinc/20/05/50/500200550.db2.gz ZTAXVFXDINNKLP-GGPKGHCWSA-N 2 1 360.546 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418009732 500213661 /nfs/dbraw/zinc/21/36/61/500213661.db2.gz SCTZEHJKSQLGIK-SYWGBEHUSA-N 2 1 370.900 3.038 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418009732 500213663 /nfs/dbraw/zinc/21/36/63/500213663.db2.gz SCTZEHJKSQLGIK-SYWGBEHUSA-N 2 1 370.900 3.038 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000425950065 500215806 /nfs/dbraw/zinc/21/58/06/500215806.db2.gz IRIVXZBTDZGXCO-FDFHNCONSA-N 2 1 372.553 3.320 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472096 506182948 /nfs/dbraw/zinc/18/29/48/506182948.db2.gz AEDNCSGNHCDAQY-RTWAWAEBSA-N 3 1 359.558 3.130 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472096 506182953 /nfs/dbraw/zinc/18/29/53/506182953.db2.gz AEDNCSGNHCDAQY-RTWAWAEBSA-N 3 1 359.558 3.130 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000573377246 506183115 /nfs/dbraw/zinc/18/31/15/506183115.db2.gz GXGIMNCVTYSTDY-QGZVFWFLSA-N 2 1 370.497 3.113 20 0 FGADMP CC1=C[C@@H](C)C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430285059 500221487 /nfs/dbraw/zinc/22/14/87/500221487.db2.gz QJUXWUGKFIDEDA-MRXNPFEDSA-N 2 1 359.539 3.072 20 0 FGADMP CC1=C[C@@H](C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430285059 500221490 /nfs/dbraw/zinc/22/14/90/500221490.db2.gz QJUXWUGKFIDEDA-MRXNPFEDSA-N 2 1 359.539 3.072 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000418151961 500238308 /nfs/dbraw/zinc/23/83/08/500238308.db2.gz GINFAGGSEGIZML-LJQANCHMSA-N 2 1 372.557 3.248 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418154267 500238719 /nfs/dbraw/zinc/23/87/19/500238719.db2.gz JMVSLZZKZNFCOJ-VQTJNVASSA-N 2 1 372.557 3.119 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247637 500240954 /nfs/dbraw/zinc/24/09/54/500240954.db2.gz XJLPULCYABDEMQ-ZMTPEHOPSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000418191377 500246258 /nfs/dbraw/zinc/24/62/58/500246258.db2.gz KPLMVJQKGVKEGA-XGHQBKJUSA-N 2 1 366.509 3.169 20 0 FGADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000418227612 500252828 /nfs/dbraw/zinc/25/28/28/500252828.db2.gz AAACMSDDLFTBHC-PZJWPPBQSA-N 2 1 372.557 3.105 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630627 500263990 /nfs/dbraw/zinc/26/39/90/500263990.db2.gz RRDMFSGWOZTBNQ-YNEHKIRRSA-N 2 1 358.313 3.230 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630627 500263992 /nfs/dbraw/zinc/26/39/92/500263992.db2.gz RRDMFSGWOZTBNQ-YNEHKIRRSA-N 2 1 358.313 3.230 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000430630619 500264332 /nfs/dbraw/zinc/26/43/32/500264332.db2.gz RRDMFSGWOZTBNQ-AVGNSLFASA-N 2 1 358.313 3.230 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000430630619 500264334 /nfs/dbraw/zinc/26/43/34/500264334.db2.gz RRDMFSGWOZTBNQ-AVGNSLFASA-N 2 1 358.313 3.230 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000418347539 500266172 /nfs/dbraw/zinc/26/61/72/500266172.db2.gz QNDMAYDYEPLLFJ-GHTZIAJQSA-N 2 1 372.557 3.025 20 0 FGADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422822 500271065 /nfs/dbraw/zinc/27/10/65/500271065.db2.gz YCCSFSBOQXDYSX-HNAYVOBHSA-N 2 1 358.555 3.063 20 0 FGADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422822 500271068 /nfs/dbraw/zinc/27/10/68/500271068.db2.gz YCCSFSBOQXDYSX-HNAYVOBHSA-N 2 1 358.555 3.063 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)n1 ZINC000422562469 500274937 /nfs/dbraw/zinc/27/49/37/500274937.db2.gz QFUDSVWYBLJWLX-UHFFFAOYSA-N 2 1 350.388 3.219 20 0 FGADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000430729099 500275867 /nfs/dbraw/zinc/27/58/67/500275867.db2.gz FFLYGRNZUGZQKU-DSKINZAPSA-N 2 1 357.542 3.379 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418456961 500278875 /nfs/dbraw/zinc/27/88/75/500278875.db2.gz DEQYNNLALYGQHD-NJYVYQBISA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000430749417 500279247 /nfs/dbraw/zinc/27/92/47/500279247.db2.gz JNOALMZWHSKYBZ-PGRDOPGGSA-N 2 1 365.521 3.277 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636398 500283994 /nfs/dbraw/zinc/28/39/94/500283994.db2.gz NCBPXQIIBOATBI-WBTNSWJXSA-N 2 1 351.922 3.165 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636398 500283991 /nfs/dbraw/zinc/28/39/91/500283991.db2.gz NCBPXQIIBOATBI-WBTNSWJXSA-N 2 1 351.922 3.165 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422640952 500285112 /nfs/dbraw/zinc/28/51/12/500285112.db2.gz WPTCEWPSBLNAHS-HZSPNIEDSA-N 2 1 368.319 3.083 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)n2)cc1F ZINC000422641648 500285287 /nfs/dbraw/zinc/28/52/87/500285287.db2.gz YETDHZWQKPNBKH-VYDXJSESSA-N 2 1 360.477 3.422 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422641702 500285507 /nfs/dbraw/zinc/28/55/07/500285507.db2.gz YJGROVDEOUUXSG-NZGUISNBSA-N 2 1 373.541 3.054 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422641702 500285509 /nfs/dbraw/zinc/28/55/09/500285509.db2.gz YJGROVDEOUUXSG-NZGUISNBSA-N 2 1 373.541 3.054 20 0 FGADMP C[C@@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422708507 500287838 /nfs/dbraw/zinc/28/78/38/500287838.db2.gz IXFKZTDDOQQHEL-RDTXWAMCSA-N 2 1 355.448 3.400 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707514 500287858 /nfs/dbraw/zinc/28/78/58/500287858.db2.gz AGQHYBXSFIAMJO-BHIFYINESA-N 2 1 353.510 3.430 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000422704686 500288018 /nfs/dbraw/zinc/28/80/18/500288018.db2.gz QFZSTNJQOSLAFP-PGRDOPGGSA-N 2 1 351.538 3.371 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734022 500291258 /nfs/dbraw/zinc/29/12/58/500291258.db2.gz BZALKJQPVDROFO-WIYYLYMNSA-N 2 1 359.558 3.044 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734165 500291332 /nfs/dbraw/zinc/29/13/32/500291332.db2.gz SCWPBIMMGCMFOA-KTGAGVNESA-N 2 1 353.432 3.152 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734165 500291338 /nfs/dbraw/zinc/29/13/38/500291338.db2.gz SCWPBIMMGCMFOA-KTGAGVNESA-N 2 1 353.432 3.152 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)nc1 ZINC000422793385 500298031 /nfs/dbraw/zinc/29/80/31/500298031.db2.gz YBSMXWSDMLBCOL-SFTDATJTSA-N 2 1 350.510 3.442 20 0 FGADMP C[C@@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1c[nH+]ccc1N ZINC000422792390 500298207 /nfs/dbraw/zinc/29/82/07/500298207.db2.gz DTFHGAMQGBOTAN-OAHLLOKOSA-N 2 1 353.466 3.428 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792107 500298209 /nfs/dbraw/zinc/29/82/09/500298209.db2.gz WYZUZRPKHIFNOZ-WBMJQRKESA-N 2 1 353.297 3.348 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422799675 500299442 /nfs/dbraw/zinc/29/94/42/500299442.db2.gz XZMBUBZDLFOEPL-QINHECLXSA-N 2 1 360.523 3.203 20 0 FGADMP CC[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422821814 500302991 /nfs/dbraw/zinc/30/29/91/500302991.db2.gz YQEUXGHMCZMIML-YADHBBJMSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418687120 500308013 /nfs/dbraw/zinc/30/80/13/500308013.db2.gz CXTFGUFISOGVSY-INIZCTEOSA-N 2 1 366.937 3.075 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418687120 500308015 /nfs/dbraw/zinc/30/80/15/500308015.db2.gz CXTFGUFISOGVSY-INIZCTEOSA-N 2 1 366.937 3.075 20 0 FGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000422878516 500309470 /nfs/dbraw/zinc/30/94/70/500309470.db2.gz KCRZUZHXMTVHJL-KXZRCVDZSA-N 2 1 370.541 3.267 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418716629 500311832 /nfs/dbraw/zinc/31/18/32/500311832.db2.gz JGFNRWJMCRUZLD-RTWAWAEBSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430961162 500313817 /nfs/dbraw/zinc/31/38/17/500313817.db2.gz MTCUBIRLQAPCOE-OXJNMPFZSA-N 2 1 353.466 3.477 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908941 500315167 /nfs/dbraw/zinc/31/51/67/500315167.db2.gz DXZGFSJKPZGWCR-YADHBBJMSA-N 3 1 351.494 3.396 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576582219 506192120 /nfs/dbraw/zinc/19/21/20/506192120.db2.gz VEVUYXOXRHEWHC-FMEYXAORSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576582219 506192121 /nfs/dbraw/zinc/19/21/21/506192121.db2.gz VEVUYXOXRHEWHC-FMEYXAORSA-N 2 1 367.896 3.120 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768411 500320873 /nfs/dbraw/zinc/32/08/73/500320873.db2.gz MBHMTWDGFKYZRI-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422944325 500321291 /nfs/dbraw/zinc/32/12/91/500321291.db2.gz LLSCPQIEYYVEGC-ARFHVFGLSA-N 2 1 353.304 3.468 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000422977168 500325957 /nfs/dbraw/zinc/32/59/57/500325957.db2.gz JPUGYLOKPWKMKH-MTFMMBMASA-N 2 1 361.530 3.142 20 0 FGADMP C[NH2+]C[C@@H](C)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000431030887 500326101 /nfs/dbraw/zinc/32/61/01/500326101.db2.gz SNDFZFPMVSEUBZ-LJQANCHMSA-N 2 1 353.510 3.003 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991496 500328328 /nfs/dbraw/zinc/32/83/28/500328328.db2.gz BHHSZXCMQWEOLL-KAGYGMCKSA-N 2 1 357.542 3.342 20 0 FGADMP CC(C)CN1CCCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991496 500328330 /nfs/dbraw/zinc/32/83/30/500328330.db2.gz BHHSZXCMQWEOLL-KAGYGMCKSA-N 2 1 357.542 3.342 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431064415 500330466 /nfs/dbraw/zinc/33/04/66/500330466.db2.gz JCPRLZPXVOWYHH-NRFANRHFSA-N 2 1 367.493 3.362 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423036483 500333722 /nfs/dbraw/zinc/33/37/22/500333722.db2.gz UDHWTVYBLSJQGL-WBADGQHESA-N 3 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423036483 500333724 /nfs/dbraw/zinc/33/37/24/500333724.db2.gz UDHWTVYBLSJQGL-WBADGQHESA-N 2 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423036483 500333727 /nfs/dbraw/zinc/33/37/27/500333727.db2.gz UDHWTVYBLSJQGL-WBADGQHESA-N 2 1 371.569 3.044 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423036789 500333774 /nfs/dbraw/zinc/33/37/74/500333774.db2.gz UUQWOMIHEJSJMC-COPCDDAFSA-N 3 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423036789 500333775 /nfs/dbraw/zinc/33/37/75/500333775.db2.gz UUQWOMIHEJSJMC-COPCDDAFSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423036789 500333777 /nfs/dbraw/zinc/33/37/77/500333777.db2.gz UUQWOMIHEJSJMC-COPCDDAFSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1c[nH+]ccc1N ZINC000423046030 500334783 /nfs/dbraw/zinc/33/47/83/500334783.db2.gz DUMVXLUWHARHAR-PXAZEXFGSA-N 2 1 352.404 3.466 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1c[nH+]ccc1N ZINC000423046033 500335239 /nfs/dbraw/zinc/33/52/39/500335239.db2.gz DUMVXLUWHARHAR-YVEFUNNKSA-N 2 1 352.404 3.466 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423065993 500337130 /nfs/dbraw/zinc/33/71/30/500337130.db2.gz VTRLGRXFOLQCKO-QWHCGFSZSA-N 2 1 350.388 3.442 20 0 FGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075548 500339346 /nfs/dbraw/zinc/33/93/46/500339346.db2.gz XIGYMZUEKKJFSU-BEFAXECRSA-N 2 1 369.900 3.277 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126585 500346083 /nfs/dbraw/zinc/34/60/83/500346083.db2.gz BBUBMADODMESMN-BDTNDASRSA-N 3 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126585 500346087 /nfs/dbraw/zinc/34/60/87/500346087.db2.gz BBUBMADODMESMN-BDTNDASRSA-N 2 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126585 500346088 /nfs/dbraw/zinc/34/60/88/500346088.db2.gz BBUBMADODMESMN-BDTNDASRSA-N 2 1 371.569 3.022 20 0 FGADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423128857 500346714 /nfs/dbraw/zinc/34/67/14/500346714.db2.gz QQJVIBXTIXFKGY-GBESFXJTSA-N 2 1 361.530 3.143 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423303395 500362252 /nfs/dbraw/zinc/36/22/52/500362252.db2.gz XAWYKTCNTSKOID-SJLPKXTDSA-N 2 1 367.559 3.029 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423393722 500369539 /nfs/dbraw/zinc/36/95/39/500369539.db2.gz RFOJIAZMKJLDRL-MJGOQNOKSA-N 2 1 354.498 3.335 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000423444381 500375455 /nfs/dbraw/zinc/37/54/55/500375455.db2.gz WRMNOCMEXYCORM-INIZCTEOSA-N 2 1 362.477 3.434 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427274243 500376191 /nfs/dbraw/zinc/37/61/91/500376191.db2.gz LJFGVDVAHCXIAH-MOPGFXCFSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Br)cs1 ZINC000423511294 500380526 /nfs/dbraw/zinc/38/05/26/500380526.db2.gz ONQSRMKKJMBPJN-LRVUVFPRSA-N 2 1 372.376 3.378 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000427316726 500380599 /nfs/dbraw/zinc/38/05/99/500380599.db2.gz SRESXCQOKBLZPT-LBFURVHYSA-N 2 1 355.526 3.078 20 0 FGADMP Clc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423507563 500380626 /nfs/dbraw/zinc/38/06/26/500380626.db2.gz JOHNQWAUUWEJJH-FAFZWHIHSA-N 2 1 363.933 3.360 20 0 FGADMP Clc1cccc2c1OCCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512629 500381329 /nfs/dbraw/zinc/38/13/29/500381329.db2.gz PAAFOLZMVONURV-LADRWXRNSA-N 2 1 363.933 3.360 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423513385 500381369 /nfs/dbraw/zinc/38/13/69/500381369.db2.gz LHRZRCKPUQMOPT-IIBYNOLFSA-N 2 1 358.457 3.434 20 0 FGADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1F ZINC000423518226 500381959 /nfs/dbraw/zinc/38/19/59/500381959.db2.gz ZFSBUJBVPIMSNK-UHYCVJNDSA-N 2 1 351.485 3.468 20 0 FGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525051 500382482 /nfs/dbraw/zinc/38/24/82/500382482.db2.gz XTCFYYITPZREOB-MYKUNDNFSA-N 2 1 357.542 3.224 20 0 FGADMP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423526209 500382551 /nfs/dbraw/zinc/38/25/51/500382551.db2.gz ZBJRRYTVHGSGIJ-TVPLGVNVSA-N 2 1 363.933 3.360 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423710036 500396236 /nfs/dbraw/zinc/39/62/36/500396236.db2.gz RHSGEBXBVREQND-BPQIPLTHSA-N 2 1 358.530 3.127 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000431668730 500406089 /nfs/dbraw/zinc/40/60/89/500406089.db2.gz AWQMKUGNKOARGE-DZJYIKFMSA-N 2 1 364.578 3.202 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000423821696 500406906 /nfs/dbraw/zinc/40/69/06/500406906.db2.gz HZWJMGMYQXJGLA-NWFKAYNMSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000423821696 500406909 /nfs/dbraw/zinc/40/69/09/500406909.db2.gz HZWJMGMYQXJGLA-NWFKAYNMSA-N 2 1 361.917 3.122 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423838638 500409825 /nfs/dbraw/zinc/40/98/25/500409825.db2.gz XSWJJHGMQBLLBI-PMACEKPBSA-N 2 1 371.912 3.277 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423838638 500409828 /nfs/dbraw/zinc/40/98/28/500409828.db2.gz XSWJJHGMQBLLBI-PMACEKPBSA-N 2 1 371.912 3.277 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423899459 500417461 /nfs/dbraw/zinc/41/74/61/500417461.db2.gz JETMBHPCQBOLFD-SBHAEUEKSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910734 500418570 /nfs/dbraw/zinc/41/85/70/500418570.db2.gz VERFXEGEKXWINU-MISYRCLQSA-N 2 1 357.542 3.182 20 0 FGADMP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000431763810 500421469 /nfs/dbraw/zinc/42/14/69/500421469.db2.gz XJURVKHHIKBGSY-NRFANRHFSA-N 2 1 373.541 3.040 20 0 FGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420298446 500436456 /nfs/dbraw/zinc/43/64/56/500436456.db2.gz FHPJSNASLZWZOT-JOCHJYFZSA-N 2 1 353.510 3.245 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297896 500436744 /nfs/dbraw/zinc/43/67/44/500436744.db2.gz DUCKEQGCTSGLCD-UYAOXDASSA-N 2 1 368.477 3.346 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)C[C@@H]21 ZINC000420299949 500437013 /nfs/dbraw/zinc/43/70/13/500437013.db2.gz BYHRAXCUBGWFPG-XFBWCDHKSA-N 2 1 357.267 3.026 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302462 500437660 /nfs/dbraw/zinc/43/76/60/500437660.db2.gz MHXLPXVISYNZHL-FXAWDEMLSA-N 2 1 368.477 3.346 20 0 FGADMP Cn1ccnc1C[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420310106 500439125 /nfs/dbraw/zinc/43/91/25/500439125.db2.gz MBRHNOFAEMYDCX-HZPDHXFCSA-N 2 1 352.473 3.190 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420310388 500439227 /nfs/dbraw/zinc/43/92/27/500439227.db2.gz FYYQRQBBYBMQEX-BRWVUGGUSA-N 2 1 353.466 3.475 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420310388 500439228 /nfs/dbraw/zinc/43/92/28/500439228.db2.gz FYYQRQBBYBMQEX-BRWVUGGUSA-N 2 1 353.466 3.475 20 0 FGADMP C[C@@H]1SCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420309898 500439323 /nfs/dbraw/zinc/43/93/23/500439323.db2.gz UIVMUUNRERRXKB-FIRPJDEBSA-N 2 1 356.535 3.096 20 0 FGADMP CCOC(=O)CCCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316470 500439896 /nfs/dbraw/zinc/43/98/96/500439896.db2.gz STZPEVLAEQSPRX-KRWDZBQOSA-N 2 1 350.528 3.426 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000420316690 500440146 /nfs/dbraw/zinc/44/01/46/500440146.db2.gz MDZLZQYCXBWXJX-QKNQBKEWSA-N 2 1 359.558 3.324 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420316928 500440276 /nfs/dbraw/zinc/44/02/76/500440276.db2.gz OBAHTAAPLHPOCZ-KRWDZBQOSA-N 2 1 361.287 3.077 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420316928 500440277 /nfs/dbraw/zinc/44/02/77/500440277.db2.gz OBAHTAAPLHPOCZ-KRWDZBQOSA-N 2 1 361.287 3.077 20 0 FGADMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326415 500442096 /nfs/dbraw/zinc/44/20/96/500442096.db2.gz JXCNZIWXSBAQIV-UAGQMJEPSA-N 2 1 356.470 3.128 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC12CCOCC2 ZINC000420327440 500442326 /nfs/dbraw/zinc/44/23/26/500442326.db2.gz LDGFVAZHMJGPII-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc(-c3cccc(Cl)c3)n2)CC12CCOCC2 ZINC000420327440 500442331 /nfs/dbraw/zinc/44/23/31/500442331.db2.gz LDGFVAZHMJGPII-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000427884788 500442644 /nfs/dbraw/zinc/44/26/44/500442644.db2.gz HEESBUKEVJTIPN-TUFLPTIASA-N 2 1 350.510 3.088 20 0 FGADMP C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1(C[NH3+])CCC1 ZINC000420335554 500443964 /nfs/dbraw/zinc/44/39/64/500443964.db2.gz VFPXPADVASCBNV-LJQANCHMSA-N 2 1 357.523 3.157 20 0 FGADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1(C[NH3+])CCC1 ZINC000420335554 500443968 /nfs/dbraw/zinc/44/39/68/500443968.db2.gz VFPXPADVASCBNV-LJQANCHMSA-N 2 1 357.523 3.157 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340149 500444895 /nfs/dbraw/zinc/44/48/95/500444895.db2.gz MSOOQJBYQJNIEX-ACRUOGEOSA-N 2 1 357.542 3.212 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344764 500445203 /nfs/dbraw/zinc/44/52/03/500445203.db2.gz USAWKPGUGGITET-UPJWGTAASA-N 2 1 356.297 3.252 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344272 500445561 /nfs/dbraw/zinc/44/55/61/500445561.db2.gz SJOISRKNTJAWFA-VMXMFDLUSA-N 2 1 357.542 3.354 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 ZINC000420359391 500447880 /nfs/dbraw/zinc/44/78/80/500447880.db2.gz JZBOHGZRZZHYLT-RTWAWAEBSA-N 2 1 365.521 3.064 20 0 FGADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420374934 500449871 /nfs/dbraw/zinc/44/98/71/500449871.db2.gz IDSZLSGZWWTTAE-IBGZPJMESA-N 2 1 371.529 3.140 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385050 500452820 /nfs/dbraw/zinc/45/28/20/500452820.db2.gz FCRPQFNNFRWVGZ-QHAWAJNXSA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385050 500452821 /nfs/dbraw/zinc/45/28/21/500452821.db2.gz FCRPQFNNFRWVGZ-QHAWAJNXSA-N 2 1 357.542 3.354 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420387169 500453627 /nfs/dbraw/zinc/45/36/27/500453627.db2.gz JWOZQUUCRNUMOU-FPOVZHCZSA-N 2 1 360.498 3.006 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116558 500456378 /nfs/dbraw/zinc/45/63/78/500456378.db2.gz XMDCLCFYOFJSSM-FXAWDEMLSA-N 2 1 357.542 3.408 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411136 500457461 /nfs/dbraw/zinc/45/74/61/500457461.db2.gz XFJYUQMEDIBUQO-ORYQWCPZSA-N 2 1 370.541 3.091 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)C[C@H]2C1 ZINC000424273711 500479737 /nfs/dbraw/zinc/47/97/37/500479737.db2.gz XIYGUXMEEYIECB-OSKXVONFSA-N 2 1 358.526 3.201 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)C[C@H]2C1 ZINC000424273711 500479739 /nfs/dbraw/zinc/47/97/39/500479739.db2.gz XIYGUXMEEYIECB-OSKXVONFSA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)N[C@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301162 500483094 /nfs/dbraw/zinc/48/30/94/500483094.db2.gz XHHLCPNPYQRNCE-XLIONFOSSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CC[C@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298988 500483168 /nfs/dbraw/zinc/48/31/68/500483168.db2.gz VENKZJICLSBITB-SJORKVTESA-N 2 1 373.566 3.368 20 0 FGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1Br ZINC000424380651 500494520 /nfs/dbraw/zinc/49/45/20/500494520.db2.gz QDBZWAFELRMXFR-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP C[C@H]1C[N@@H+](CCCNCC(C)(C)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000432353480 500503856 /nfs/dbraw/zinc/50/38/56/500503856.db2.gz MELAOFXNUCLJBK-FQEVSTJZSA-N 2 1 361.574 3.235 20 0 FGADMP C[C@H]1C[NH+](CCCNCC(C)(C)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000432353480 500503859 /nfs/dbraw/zinc/50/38/59/500503859.db2.gz MELAOFXNUCLJBK-FQEVSTJZSA-N 2 1 361.574 3.235 20 0 FGADMP C[C@H]1C[NH+](CCCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000432353480 500503860 /nfs/dbraw/zinc/50/38/60/500503860.db2.gz MELAOFXNUCLJBK-FQEVSTJZSA-N 2 1 361.574 3.235 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432360765 500504757 /nfs/dbraw/zinc/50/47/57/500504757.db2.gz XFUDRBASOINIFV-SFHVURJKSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCN1CCCO[C@@H](C)C1 ZINC000432360765 500504760 /nfs/dbraw/zinc/50/47/60/500504760.db2.gz XFUDRBASOINIFV-SFHVURJKSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432360765 500504765 /nfs/dbraw/zinc/50/47/65/500504765.db2.gz XFUDRBASOINIFV-SFHVURJKSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432360765 500504768 /nfs/dbraw/zinc/50/47/68/500504768.db2.gz XFUDRBASOINIFV-SFHVURJKSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000424440995 500506201 /nfs/dbraw/zinc/50/62/01/500506201.db2.gz WBIGKKGJRGJBOS-INIZCTEOSA-N 2 1 352.482 3.022 20 0 FGADMP COc1ccc([C@H](C)C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424772 500508385 /nfs/dbraw/zinc/50/83/85/500508385.db2.gz SLJJLFQFULEYJK-XXBNENTESA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@H](C)C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424772 500508388 /nfs/dbraw/zinc/50/83/88/500508388.db2.gz SLJJLFQFULEYJK-XXBNENTESA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@H](C)C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428424772 500508391 /nfs/dbraw/zinc/50/83/91/500508391.db2.gz SLJJLFQFULEYJK-XXBNENTESA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@H](C)C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428424772 500508394 /nfs/dbraw/zinc/50/83/94/500508394.db2.gz SLJJLFQFULEYJK-XXBNENTESA-N 2 1 368.521 3.368 20 0 FGADMP CCCc1nc(C)c(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000428433279 500509465 /nfs/dbraw/zinc/50/94/65/500509465.db2.gz GYEHVMHWURAGKB-OAQYLSRUSA-N 2 1 357.498 3.004 20 0 FGADMP C[C@@H](CC1CCOCC1)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442079 500510870 /nfs/dbraw/zinc/51/08/70/500510870.db2.gz ZAIVUJOLRYGSBP-UGKGYDQZSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H](CC1CCOCC1)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442079 500510871 /nfs/dbraw/zinc/51/08/71/500510871.db2.gz ZAIVUJOLRYGSBP-UGKGYDQZSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428442079 500510872 /nfs/dbraw/zinc/51/08/72/500510872.db2.gz ZAIVUJOLRYGSBP-UGKGYDQZSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@@H](CC1CCOCC1)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428442079 500510873 /nfs/dbraw/zinc/51/08/73/500510873.db2.gz ZAIVUJOLRYGSBP-UGKGYDQZSA-N 2 1 360.542 3.008 20 0 FGADMP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2CCOC2)cc1 ZINC000420952530 500539692 /nfs/dbraw/zinc/53/96/92/500539692.db2.gz UKNMUWLSOCVVCT-PKTZIBPZSA-N 2 1 366.505 3.386 20 0 FGADMP OCC[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421020640 500556107 /nfs/dbraw/zinc/55/61/07/500556107.db2.gz RIJPEFXORBKODN-SFTDATJTSA-N 2 1 354.579 3.126 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000447535291 500619721 /nfs/dbraw/zinc/61/97/21/500619721.db2.gz DZTBZXOJANZEFV-LPKWFMKBSA-N 2 1 358.526 3.199 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000576660118 506206997 /nfs/dbraw/zinc/20/69/97/506206997.db2.gz OQAUBDKPBFBNQP-FYYLOGMGSA-N 2 1 369.553 3.137 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000442877613 500638984 /nfs/dbraw/zinc/63/89/84/500638984.db2.gz RHEPIPURXYMDFP-ZDUSSCGKSA-N 2 1 372.326 3.265 20 0 FGADMP NC(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180903 500640551 /nfs/dbraw/zinc/64/05/51/500640551.db2.gz WIQAAHJGAZQBGU-NRFANRHFSA-N 2 1 363.505 3.201 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000447987567 500701633 /nfs/dbraw/zinc/70/16/33/500701633.db2.gz LBVJZPDEVWCPDJ-FQEVSTJZSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235573 500737244 /nfs/dbraw/zinc/73/72/44/500737244.db2.gz YUQMQFADIXRUHY-LAUBAEHRSA-N 2 1 367.493 3.436 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141683 500744595 /nfs/dbraw/zinc/74/45/95/500744595.db2.gz KSRAMPPELUTRND-ICSRJNTNSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438141683 500744600 /nfs/dbraw/zinc/74/46/00/500744600.db2.gz KSRAMPPELUTRND-ICSRJNTNSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438141683 500744603 /nfs/dbraw/zinc/74/46/03/500744603.db2.gz KSRAMPPELUTRND-ICSRJNTNSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000448469125 500762380 /nfs/dbraw/zinc/76/23/80/500762380.db2.gz XRAVWHXWRBSFRM-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433945575 500768953 /nfs/dbraw/zinc/76/89/53/500768953.db2.gz IKEGBOGMBRMBKU-NRFANRHFSA-N 2 1 370.541 3.099 20 0 FGADMP CC(C)[C@@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482294 500790990 /nfs/dbraw/zinc/79/09/90/500790990.db2.gz KSTXEWDGBMMXJK-AZUAARDMSA-N 2 1 357.542 3.134 20 0 FGADMP Fc1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc(F)c1F ZINC000582411040 506216634 /nfs/dbraw/zinc/21/66/34/506216634.db2.gz NYYGHFURDYGTLY-HNNXBMFYSA-N 2 1 366.387 3.118 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000438565366 500802558 /nfs/dbraw/zinc/80/25/58/500802558.db2.gz CFEFOFZGMXESHV-CTNGQTDRSA-N 2 1 361.574 3.364 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000444580516 500861623 /nfs/dbraw/zinc/86/16/23/500861623.db2.gz CTBQGMMQOHRZSN-RLFYNMQTSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000444580516 500861624 /nfs/dbraw/zinc/86/16/24/500861624.db2.gz CTBQGMMQOHRZSN-RLFYNMQTSA-N 2 1 355.486 3.024 20 0 FGADMP c1[nH+]c(C2CC[NH+](CCOCCOc3ccccc3)CC2)n2c1CCCC2 ZINC000434751656 500889663 /nfs/dbraw/zinc/88/96/63/500889663.db2.gz HNDLJNUZGWGLSO-UHFFFAOYSA-N 2 1 369.509 3.494 20 0 FGADMP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc2ccccc21 ZINC000449022864 500901399 /nfs/dbraw/zinc/90/13/99/500901399.db2.gz LEPJCWCNAHGIPS-OAQYLSRUSA-N 2 1 367.537 3.450 20 0 FGADMP COc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc2ccccc21 ZINC000449022864 500901402 /nfs/dbraw/zinc/90/14/02/500901402.db2.gz LEPJCWCNAHGIPS-OAQYLSRUSA-N 2 1 367.537 3.450 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4cc3OC)C2)CC1 ZINC000449023802 500901474 /nfs/dbraw/zinc/90/14/74/500901474.db2.gz UZCGSESDWHDBTL-NRFANRHFSA-N 2 1 353.510 3.060 20 0 FGADMP C[C@H](C[NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063303 500915399 /nfs/dbraw/zinc/91/53/99/500915399.db2.gz OVCHPXCWHAKIJN-SJORKVTESA-N 2 1 352.544 3.048 20 0 FGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081673 500920269 /nfs/dbraw/zinc/92/02/69/500920269.db2.gz HBOZUROXWNNBNG-MSOLQXFVSA-N 2 1 366.571 3.295 20 0 FGADMP C[C@@H](C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081919 500920500 /nfs/dbraw/zinc/92/05/00/500920500.db2.gz IYXSIDSKFGQRCG-JXFKEZNVSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CN1CCN(C)CC1 ZINC000449131967 500931816 /nfs/dbraw/zinc/93/18/16/500931816.db2.gz QTCCDIYCRCDOGO-LJQANCHMSA-N 2 1 366.638 3.139 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435371790 500961212 /nfs/dbraw/zinc/96/12/12/500961212.db2.gz OPPDXSVMPXPHKZ-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435371790 500961217 /nfs/dbraw/zinc/96/12/17/500961217.db2.gz OPPDXSVMPXPHKZ-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP c1cn(-c2csc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c2)cn1 ZINC000435370753 500961665 /nfs/dbraw/zinc/96/16/65/500961665.db2.gz JQFPHUZPECBFFV-GOSISDBHSA-N 2 1 367.522 3.473 20 0 FGADMP c1cn(-c2csc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)c2)cn1 ZINC000435370753 500961667 /nfs/dbraw/zinc/96/16/67/500961667.db2.gz JQFPHUZPECBFFV-GOSISDBHSA-N 2 1 367.522 3.473 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435375467 500962096 /nfs/dbraw/zinc/96/20/96/500962096.db2.gz MLEPMGDKRMHENZ-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435375467 500962098 /nfs/dbraw/zinc/96/20/98/500962098.db2.gz MLEPMGDKRMHENZ-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000435375568 500962331 /nfs/dbraw/zinc/96/23/31/500962331.db2.gz VLMXVFOVQABQMM-BEFAXECRSA-N 2 1 356.514 3.483 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000435375568 500962332 /nfs/dbraw/zinc/96/23/32/500962332.db2.gz VLMXVFOVQABQMM-BEFAXECRSA-N 2 1 356.514 3.483 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCc1ccccc1 ZINC000435379204 500963414 /nfs/dbraw/zinc/96/34/14/500963414.db2.gz LNDRSDPNURCVAN-ZCNNSNEGSA-N 2 1 352.478 3.443 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@@H]12 ZINC000435379305 500963493 /nfs/dbraw/zinc/96/34/93/500963493.db2.gz LZMXTPUUJGYJNO-MISYRCLQSA-N 2 1 350.510 3.394 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1ccncc1 ZINC000435379589 500963739 /nfs/dbraw/zinc/96/37/39/500963739.db2.gz JUNDVIRGXCUBEE-SLFFLAALSA-N 2 1 367.493 3.228 20 0 FGADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCc1cccnc1 ZINC000435379727 500963855 /nfs/dbraw/zinc/96/38/55/500963855.db2.gz KLIODGMAEIBMIL-YOFSQIOKSA-N 2 1 367.493 3.384 20 0 FGADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OCc1cccnc1 ZINC000435379727 500963857 /nfs/dbraw/zinc/96/38/57/500963857.db2.gz KLIODGMAEIBMIL-YOFSQIOKSA-N 2 1 367.493 3.384 20 0 FGADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)ccc1OCc1ccncc1 ZINC000435383392 500964170 /nfs/dbraw/zinc/96/41/70/500964170.db2.gz ICMGBHOASBYHCE-LJQANCHMSA-N 2 1 357.498 3.474 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(Br)c2)CCCO1 ZINC000449283296 500965762 /nfs/dbraw/zinc/96/57/62/500965762.db2.gz LCWQXZXICOUUCM-CYBMUJFWSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(Br)c2)CCCO1 ZINC000449283296 500965764 /nfs/dbraw/zinc/96/57/64/500965764.db2.gz LCWQXZXICOUUCM-CYBMUJFWSA-N 2 1 359.283 3.179 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000435395430 500967645 /nfs/dbraw/zinc/96/76/45/500967645.db2.gz QHKAOKVRLUOBLV-UHFFFAOYSA-N 2 1 354.285 3.006 20 0 FGADMP Cc1cccc(CC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449323814 500977853 /nfs/dbraw/zinc/97/78/53/500977853.db2.gz AZEJZQRQZFWYFR-PMACEKPBSA-N 2 1 360.542 3.128 20 0 FGADMP CNC(=O)[C@H](CCSC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449328474 500978643 /nfs/dbraw/zinc/97/86/43/500978643.db2.gz JRFAMMNDTCTPAH-INIZCTEOSA-N 2 1 357.608 3.123 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615636 501002564 /nfs/dbraw/zinc/00/25/64/501002564.db2.gz ILOOEONGHJXSKG-CRAIPNDOSA-N 2 1 351.560 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615636 501002565 /nfs/dbraw/zinc/00/25/65/501002565.db2.gz ILOOEONGHJXSKG-CRAIPNDOSA-N 2 1 351.560 3.416 20 0 FGADMP COc1ccccc1OCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687818 501012107 /nfs/dbraw/zinc/01/21/07/501012107.db2.gz JEHRQFZORUNAKM-GOSISDBHSA-N 2 1 373.522 3.175 20 0 FGADMP COc1ccccc1OCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687818 501012109 /nfs/dbraw/zinc/01/21/09/501012109.db2.gz JEHRQFZORUNAKM-GOSISDBHSA-N 2 1 373.522 3.175 20 0 FGADMP Cc1ccc(C)c(OCC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435692378 501012897 /nfs/dbraw/zinc/01/28/97/501012897.db2.gz JFRUSOKQOJPVAO-HXUWFJFHSA-N 2 1 368.525 3.060 20 0 FGADMP Cc1ccc(C)c(OCC[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435692378 501012898 /nfs/dbraw/zinc/01/28/98/501012898.db2.gz JFRUSOKQOJPVAO-HXUWFJFHSA-N 2 1 368.525 3.060 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496790 501017611 /nfs/dbraw/zinc/01/76/11/501017611.db2.gz JQMYQYPOXRIMPP-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496790 501017613 /nfs/dbraw/zinc/01/76/13/501017613.db2.gz JQMYQYPOXRIMPP-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496790 501017615 /nfs/dbraw/zinc/01/76/15/501017615.db2.gz JQMYQYPOXRIMPP-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C)cc3C)C2)CC1 ZINC000449496790 501017618 /nfs/dbraw/zinc/01/76/18/501017618.db2.gz JQMYQYPOXRIMPP-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504131 501019144 /nfs/dbraw/zinc/01/91/44/501019144.db2.gz QBZROGUGPHMXRF-UEAVEIDSSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504131 501019146 /nfs/dbraw/zinc/01/91/46/501019146.db2.gz QBZROGUGPHMXRF-UEAVEIDSSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504131 501019148 /nfs/dbraw/zinc/01/91/48/501019148.db2.gz QBZROGUGPHMXRF-UEAVEIDSSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504131 501019150 /nfs/dbraw/zinc/01/91/50/501019150.db2.gz QBZROGUGPHMXRF-UEAVEIDSSA-N 2 1 369.553 3.356 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449588932 501039356 /nfs/dbraw/zinc/03/93/56/501039356.db2.gz JHQKELRBXTZFFZ-PBVWOCPUSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449588932 501039358 /nfs/dbraw/zinc/03/93/58/501039358.db2.gz JHQKELRBXTZFFZ-PBVWOCPUSA-N 2 1 368.525 3.283 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000449728181 501069971 /nfs/dbraw/zinc/06/99/71/501069971.db2.gz UBEMGTNWMMISDS-RXVVDRJESA-N 2 1 351.494 3.176 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000441042934 501078865 /nfs/dbraw/zinc/07/88/65/501078865.db2.gz GICJPLKBERNIIE-UHFFFAOYSA-N 2 1 365.562 3.408 20 0 FGADMP COCCC1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000436238344 501093533 /nfs/dbraw/zinc/09/35/33/501093533.db2.gz LMBLIEVXUHXJCG-JOCHJYFZSA-N 2 1 360.542 3.200 20 0 FGADMP COCCC1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000436238344 501093536 /nfs/dbraw/zinc/09/35/36/501093536.db2.gz LMBLIEVXUHXJCG-JOCHJYFZSA-N 2 1 360.542 3.200 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000436304168 501104776 /nfs/dbraw/zinc/10/47/76/501104776.db2.gz CZHTVIMZROYFNT-NXNFSMPISA-N 2 1 356.510 3.218 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248807 501108580 /nfs/dbraw/zinc/10/85/80/501108580.db2.gz AZCXZINDFMOSPM-NJAFHUGGSA-N 2 1 372.431 3.311 20 0 FGADMP CC[C@@H]1CCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062308 501169072 /nfs/dbraw/zinc/16/90/72/501169072.db2.gz UAXSPXSDXGDWSE-CTNGQTDRSA-N 2 1 363.590 3.467 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000446823361 501169217 /nfs/dbraw/zinc/16/92/17/501169217.db2.gz LPXRWMYEBXDPNY-YLJYHZDGSA-N 2 1 352.486 3.149 20 0 FGADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640437 501172835 /nfs/dbraw/zinc/17/28/35/501172835.db2.gz MDPJSPKMELDCSK-AVRDEDQJSA-N 2 1 353.510 3.394 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000607722325 506239348 /nfs/dbraw/zinc/23/93/48/506239348.db2.gz YMGCJFKVGVDION-PXNSSMCTSA-N 2 1 358.530 3.319 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]c4ccccc34)C2)cc(OC)c1 ZINC000447058887 501198367 /nfs/dbraw/zinc/19/83/67/501198367.db2.gz JQMUECTZJGKVRW-QGZVFWFLSA-N 2 1 363.461 3.360 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000453065996 501261757 /nfs/dbraw/zinc/26/17/57/501261757.db2.gz XZOHTTWHHKVFKO-FQEVSTJZSA-N 2 1 352.478 3.253 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1ccco1 ZINC000453071959 501262879 /nfs/dbraw/zinc/26/28/79/501262879.db2.gz MVUYHVTVAFAWPZ-VAMGGRTRSA-N 2 1 367.493 3.042 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000453076917 501263613 /nfs/dbraw/zinc/26/36/13/501263613.db2.gz AMDWYOBCOAIAPJ-JTQLQIEISA-N 2 1 373.213 3.286 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000453081999 501265147 /nfs/dbraw/zinc/26/51/47/501265147.db2.gz KPKAVSFIYVNRDB-LJQANCHMSA-N 2 1 353.510 3.415 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453102652 501269590 /nfs/dbraw/zinc/26/95/90/501269590.db2.gz YGHNIJOYGVXTMB-HOIMLPCSSA-N 2 1 369.553 3.467 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000453122155 501273549 /nfs/dbraw/zinc/27/35/49/501273549.db2.gz LGUANLSQHUCCCQ-OIBXWCBGSA-N 2 1 367.537 3.265 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000453122155 501273552 /nfs/dbraw/zinc/27/35/52/501273552.db2.gz LGUANLSQHUCCCQ-OIBXWCBGSA-N 2 1 367.537 3.265 20 0 FGADMP CN(C(=O)c1[nH]ccc1C1CC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457661562 501280827 /nfs/dbraw/zinc/28/08/27/501280827.db2.gz GWGOIGMUOLPUQT-PMACEKPBSA-N 2 1 372.557 3.301 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)C3C[NH+](C4CCCCC4)C3)sc2C1 ZINC000457726547 501295323 /nfs/dbraw/zinc/29/53/23/501295323.db2.gz ZGUNRLSZYUHXEG-UHFFFAOYSA-N 2 1 362.543 3.113 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)C3C[NH+](C4CCCCC4)C3)sc2C1 ZINC000457726547 501295326 /nfs/dbraw/zinc/29/53/26/501295326.db2.gz ZGUNRLSZYUHXEG-UHFFFAOYSA-N 2 1 362.543 3.113 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)C ZINC000453274774 501305400 /nfs/dbraw/zinc/30/54/00/501305400.db2.gz DHBGFEFGEANFGI-WOZUAGRISA-N 2 1 357.542 3.275 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453287833 501309196 /nfs/dbraw/zinc/30/91/96/501309196.db2.gz OPVYVFPJKFRCQT-HOCLYGCPSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000453287833 501309197 /nfs/dbraw/zinc/30/91/97/501309197.db2.gz OPVYVFPJKFRCQT-HOCLYGCPSA-N 2 1 359.436 3.327 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535369 501316295 /nfs/dbraw/zinc/31/62/95/501316295.db2.gz ZRPHZWLPXRSCAO-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535369 501316296 /nfs/dbraw/zinc/31/62/96/501316296.db2.gz ZRPHZWLPXRSCAO-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535369 501316298 /nfs/dbraw/zinc/31/62/98/501316298.db2.gz ZRPHZWLPXRSCAO-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535369 501316300 /nfs/dbraw/zinc/31/63/00/501316300.db2.gz ZRPHZWLPXRSCAO-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000453333491 501316721 /nfs/dbraw/zinc/31/67/21/501316721.db2.gz ITGAVRCJNYTOEI-FYZZASKESA-N 2 1 361.530 3.028 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157336 501381275 /nfs/dbraw/zinc/38/12/75/501381275.db2.gz UTYPTSMWCXETDG-PZJWPPBQSA-N 2 1 372.557 3.163 20 0 FGADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455912459 501413744 /nfs/dbraw/zinc/41/37/44/501413744.db2.gz JOIYXPMSQZHHCK-QINHECLXSA-N 2 1 358.530 3.477 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367862 501428479 /nfs/dbraw/zinc/42/84/79/501428479.db2.gz IIVWOEZIWIPPCM-ZWKOTPCHSA-N 2 1 360.546 3.147 20 0 FGADMP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000458544400 501470903 /nfs/dbraw/zinc/47/09/03/501470903.db2.gz XUSJCSRAZKCREF-IAGOWNOFSA-N 2 1 369.513 3.367 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000458788394 501531918 /nfs/dbraw/zinc/53/19/18/501531918.db2.gz YCBHJNPITLCBCS-NSHGMRRFSA-N 2 1 360.546 3.110 20 0 FGADMP CSc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000458792339 501532580 /nfs/dbraw/zinc/53/25/80/501532580.db2.gz QSMPFAXDTTVLJT-QAPCUYQASA-N 2 1 366.575 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619991 501594067 /nfs/dbraw/zinc/59/40/67/501594067.db2.gz OMXNUJMEUJTZQN-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619991 501594068 /nfs/dbraw/zinc/59/40/68/501594068.db2.gz OMXNUJMEUJTZQN-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619991 501594070 /nfs/dbraw/zinc/59/40/70/501594070.db2.gz OMXNUJMEUJTZQN-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP CCOC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007302 501599777 /nfs/dbraw/zinc/59/97/77/501599777.db2.gz CWZMYCRQJSWZSP-LEWJYISDSA-N 2 1 360.542 3.006 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459270008 501622727 /nfs/dbraw/zinc/62/27/27/501622727.db2.gz UTXQDXUGSVECNF-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270008 501622729 /nfs/dbraw/zinc/62/27/29/501622729.db2.gz UTXQDXUGSVECNF-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270008 501622730 /nfs/dbraw/zinc/62/27/30/501622730.db2.gz UTXQDXUGSVECNF-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459273304 501623267 /nfs/dbraw/zinc/62/32/67/501623267.db2.gz YCDLAFFLHICREO-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273304 501623269 /nfs/dbraw/zinc/62/32/69/501623269.db2.gz YCDLAFFLHICREO-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273304 501623271 /nfs/dbraw/zinc/62/32/71/501623271.db2.gz YCDLAFFLHICREO-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459327143 501631686 /nfs/dbraw/zinc/63/16/86/501631686.db2.gz XKHTUFOACFIEBZ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327143 501631688 /nfs/dbraw/zinc/63/16/88/501631688.db2.gz XKHTUFOACFIEBZ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327143 501631689 /nfs/dbraw/zinc/63/16/89/501631689.db2.gz XKHTUFOACFIEBZ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP Cn1cncc1CCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000459350990 501637224 /nfs/dbraw/zinc/63/72/24/501637224.db2.gz PUMSELIIKPBIPR-INIZCTEOSA-N 2 1 367.280 3.373 20 0 FGADMP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000457058073 501642803 /nfs/dbraw/zinc/64/28/03/501642803.db2.gz VNYDHGOMHCSDCP-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@@H+](CCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000457172164 501661869 /nfs/dbraw/zinc/66/18/69/501661869.db2.gz TUROWMHMXYQDMQ-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1Cl ZINC000457478872 501707012 /nfs/dbraw/zinc/70/70/12/501707012.db2.gz HLDHCLPWAQKWBS-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000457478872 501707014 /nfs/dbraw/zinc/70/70/14/501707014.db2.gz HLDHCLPWAQKWBS-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490140 501709125 /nfs/dbraw/zinc/70/91/25/501709125.db2.gz SUKDEHJMGBYYMK-CRAIPNDOSA-N 2 1 366.937 3.067 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490140 501709127 /nfs/dbraw/zinc/70/91/27/501709127.db2.gz SUKDEHJMGBYYMK-CRAIPNDOSA-N 2 1 366.937 3.067 20 0 FGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784020 501713554 /nfs/dbraw/zinc/71/35/54/501713554.db2.gz NWIRFBAWOUQPRV-AWEZNQCLSA-N 2 1 372.456 3.169 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000457535007 501718132 /nfs/dbraw/zinc/71/81/32/501718132.db2.gz SKJQQXMYPCZTAP-JOCHJYFZSA-N 2 1 372.557 3.156 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457535062 501718311 /nfs/dbraw/zinc/71/83/11/501718311.db2.gz SVQQFTBOVPSATN-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCC3)CC2)cc1Cl ZINC000485127571 501730535 /nfs/dbraw/zinc/73/05/35/501730535.db2.gz VBJJYKDSXOUWOH-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000481311138 501740411 /nfs/dbraw/zinc/74/04/11/501740411.db2.gz KTHBUGKUGPGILF-PZJWPPBQSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000481311138 501740416 /nfs/dbraw/zinc/74/04/16/501740416.db2.gz KTHBUGKUGPGILF-PZJWPPBQSA-N 2 1 374.573 3.299 20 0 FGADMP Fc1cncc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)c1 ZINC000467307041 501766443 /nfs/dbraw/zinc/76/64/43/501766443.db2.gz RHZMTNFEGDBPFZ-NRFANRHFSA-N 2 1 355.457 3.294 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000481424119 501772105 /nfs/dbraw/zinc/77/21/05/501772105.db2.gz OEVFUIYVFMSOJF-ROUUACIJSA-N 2 1 358.530 3.222 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1I ZINC000467373397 501780626 /nfs/dbraw/zinc/78/06/26/501780626.db2.gz LZSSPLBAFMUEJW-HEHGZKQESA-N 2 1 372.294 3.418 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000467384281 501782896 /nfs/dbraw/zinc/78/28/96/501782896.db2.gz WMMPVMWJZJFWGV-OLKYXYMISA-N 2 1 364.533 3.399 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1C ZINC000460379826 501810037 /nfs/dbraw/zinc/81/00/37/501810037.db2.gz KCCFNWJTXHBEES-OAQYLSRUSA-N 2 1 353.510 3.236 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC000460400619 501815159 /nfs/dbraw/zinc/81/51/59/501815159.db2.gz LIZFGNZKULEANY-PIPMEXSNSA-N 2 1 351.494 3.099 20 0 FGADMP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400579 501821792 /nfs/dbraw/zinc/82/17/92/501821792.db2.gz XEUTXXMRZLAJAV-DNVCBOLYSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400579 501821796 /nfs/dbraw/zinc/82/17/96/501821796.db2.gz XEUTXXMRZLAJAV-DNVCBOLYSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400579 501821800 /nfs/dbraw/zinc/82/18/00/501821800.db2.gz XEUTXXMRZLAJAV-DNVCBOLYSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400579 501821802 /nfs/dbraw/zinc/82/18/02/501821802.db2.gz XEUTXXMRZLAJAV-DNVCBOLYSA-N 2 1 371.916 3.369 20 0 FGADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465551 501828343 /nfs/dbraw/zinc/82/83/43/501828343.db2.gz ISMYGZHHBRRPFB-IBGZPJMESA-N 2 1 357.542 3.231 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885624 501842593 /nfs/dbraw/zinc/84/25/93/501842593.db2.gz FAASFIBDSMGCMR-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470885624 501842598 /nfs/dbraw/zinc/84/25/98/501842598.db2.gz FAASFIBDSMGCMR-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470885624 501842602 /nfs/dbraw/zinc/84/26/02/501842602.db2.gz FAASFIBDSMGCMR-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000478015648 501854366 /nfs/dbraw/zinc/85/43/66/501854366.db2.gz KGYGWGUVVRHUBU-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000478049854 501865589 /nfs/dbraw/zinc/86/55/89/501865589.db2.gz XYURBVZMQMCJRR-UHFFFAOYSA-N 2 1 357.951 3.415 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959464 501870353 /nfs/dbraw/zinc/87/03/53/501870353.db2.gz IJWCLMSWWWSGOC-OAHLLOKOSA-N 2 1 367.896 3.471 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959464 501870355 /nfs/dbraw/zinc/87/03/55/501870355.db2.gz IJWCLMSWWWSGOC-OAHLLOKOSA-N 2 1 367.896 3.471 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000470959464 501870360 /nfs/dbraw/zinc/87/03/60/501870360.db2.gz IJWCLMSWWWSGOC-OAHLLOKOSA-N 2 1 367.896 3.471 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2sccc2c1 ZINC000471021732 501892937 /nfs/dbraw/zinc/89/29/37/501892937.db2.gz JYBRRQOUACQZCM-GOSISDBHSA-N 2 1 359.539 3.389 20 0 FGADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1F ZINC000588367372 506280050 /nfs/dbraw/zinc/28/00/50/506280050.db2.gz DGJQWUPCTBRWOC-HNNXBMFYSA-N 2 1 356.445 3.105 20 0 FGADMP Cc1ccc(CCC[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000474620709 501897196 /nfs/dbraw/zinc/89/71/96/501897196.db2.gz INHSMHDXRGIJTB-IBGZPJMESA-N 2 1 353.510 3.333 20 0 FGADMP Cc1ccc(CCC[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000474620709 501897201 /nfs/dbraw/zinc/89/72/01/501897201.db2.gz INHSMHDXRGIJTB-IBGZPJMESA-N 2 1 353.510 3.333 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468023064 501932441 /nfs/dbraw/zinc/93/24/41/501932441.db2.gz VDYGVJQGXCSUKE-IRFCIJBXSA-N 2 1 374.573 3.488 20 0 FGADMP C[NH+](C)CCN(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000468024233 501933467 /nfs/dbraw/zinc/93/34/67/501933467.db2.gz JJDQRDMUJWGLFE-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP COC(=O)CC1CCC([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000599023271 506283561 /nfs/dbraw/zinc/28/35/61/506283561.db2.gz GOSIBHLHDRRKAH-XPQZIERPSA-N 2 1 374.525 3.119 20 0 FGADMP COC(=O)CC1CCC([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000599023271 506283566 /nfs/dbraw/zinc/28/35/66/506283566.db2.gz GOSIBHLHDRRKAH-XPQZIERPSA-N 2 1 374.525 3.119 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000460879087 501948203 /nfs/dbraw/zinc/94/82/03/501948203.db2.gz IOOAHYGIRAFMQY-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468116504 501961773 /nfs/dbraw/zinc/96/17/73/501961773.db2.gz FWRYYLVHHPJQKZ-MJGOQNOKSA-N 2 1 363.571 3.013 20 0 FGADMP Cc1ccc2c(C)cc(NCc3ccccc3C[N@@H+]3CC[C@H](O)C3)[nH+]c2c1 ZINC000460962783 501973121 /nfs/dbraw/zinc/97/31/21/501973121.db2.gz YEELVYPXTVPFBO-FQEVSTJZSA-N 2 1 361.489 3.452 20 0 FGADMP Cc1ccc2c(C)cc(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)[nH+]c2c1 ZINC000460962783 501973125 /nfs/dbraw/zinc/97/31/25/501973125.db2.gz YEELVYPXTVPFBO-FQEVSTJZSA-N 2 1 361.489 3.452 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113377 501979026 /nfs/dbraw/zinc/97/90/26/501979026.db2.gz JTRGQPXXEWVJGO-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000482132848 501984395 /nfs/dbraw/zinc/98/43/95/501984395.db2.gz IPDMCLSLBDXWCH-FXAWDEMLSA-N 2 1 374.529 3.074 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000482146948 501990099 /nfs/dbraw/zinc/99/00/99/501990099.db2.gz QJYPHNDMFWYOME-ROUUACIJSA-N 2 1 361.530 3.432 20 0 FGADMP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)Cc1ccccc1 ZINC000482201225 502006265 /nfs/dbraw/zinc/00/62/65/502006265.db2.gz WSQCFNMSWTXMPX-IBGZPJMESA-N 2 1 365.521 3.043 20 0 FGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(C)C ZINC000474970650 502007129 /nfs/dbraw/zinc/00/71/29/502007129.db2.gz IEIVAYSBFMDMDS-HXUWFJFHSA-N 2 1 363.521 3.415 20 0 FGADMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(C)C ZINC000474970650 502007135 /nfs/dbraw/zinc/00/71/35/502007135.db2.gz IEIVAYSBFMDMDS-HXUWFJFHSA-N 2 1 363.521 3.415 20 0 FGADMP C[C@H]1c2ccccc2CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475016131 502022023 /nfs/dbraw/zinc/02/20/23/502022023.db2.gz FRMGALZZSZBAML-UWJYYQICSA-N 2 1 351.494 3.025 20 0 FGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475016131 502022025 /nfs/dbraw/zinc/02/20/25/502022025.db2.gz FRMGALZZSZBAML-UWJYYQICSA-N 2 1 351.494 3.025 20 0 FGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468413442 502051971 /nfs/dbraw/zinc/05/19/71/502051971.db2.gz VUGHEEMGTSPCGJ-PZJWPPBQSA-N 2 1 359.558 3.323 20 0 FGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468413442 502051978 /nfs/dbraw/zinc/05/19/78/502051978.db2.gz VUGHEEMGTSPCGJ-PZJWPPBQSA-N 2 1 359.558 3.323 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140327 502076874 /nfs/dbraw/zinc/07/68/74/502076874.db2.gz RYWNOHAXCRJXKQ-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259272 502103288 /nfs/dbraw/zinc/10/32/88/502103288.db2.gz POALNRNCOMCPDU-MNEFBYGVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259272 502103291 /nfs/dbraw/zinc/10/32/91/502103291.db2.gz POALNRNCOMCPDU-MNEFBYGVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000486259272 502103293 /nfs/dbraw/zinc/10/32/93/502103293.db2.gz POALNRNCOMCPDU-MNEFBYGVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000486259272 502103295 /nfs/dbraw/zinc/10/32/95/502103295.db2.gz POALNRNCOMCPDU-MNEFBYGVSA-N 2 1 363.933 3.008 20 0 FGADMP COC(=O)c1coc([C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000602772823 506293849 /nfs/dbraw/zinc/29/38/49/506293849.db2.gz KXVRRWZSJLMTEB-INIZCTEOSA-N 2 1 371.481 3.366 20 0 FGADMP COC(=O)c1coc([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000602772823 506293853 /nfs/dbraw/zinc/29/38/53/506293853.db2.gz KXVRRWZSJLMTEB-INIZCTEOSA-N 2 1 371.481 3.366 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000461467836 502125649 /nfs/dbraw/zinc/12/56/49/502125649.db2.gz VQXLFNHWTVYABB-IRLDBZIGSA-N 2 1 369.553 3.279 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871586 502131643 /nfs/dbraw/zinc/13/16/43/502131643.db2.gz HOWKIUUXGYFRCP-HOTGVXAUSA-N 2 1 365.949 3.364 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000475323371 502134234 /nfs/dbraw/zinc/13/42/34/502134234.db2.gz XWNBNIITWAEEKD-KDURUIRLSA-N 2 1 370.578 3.172 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000475323371 502134239 /nfs/dbraw/zinc/13/42/39/502134239.db2.gz XWNBNIITWAEEKD-KDURUIRLSA-N 2 1 370.578 3.172 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636767 502135823 /nfs/dbraw/zinc/13/58/23/502135823.db2.gz MNXQVNFCROUFEQ-UGKGYDQZSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636767 502135827 /nfs/dbraw/zinc/13/58/27/502135827.db2.gz MNXQVNFCROUFEQ-UGKGYDQZSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000482636767 502135833 /nfs/dbraw/zinc/13/58/33/502135833.db2.gz MNXQVNFCROUFEQ-UGKGYDQZSA-N 2 1 373.585 3.376 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468676158 502143539 /nfs/dbraw/zinc/14/35/39/502143539.db2.gz SDRVGQXZNXIUDG-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000471840391 502150964 /nfs/dbraw/zinc/15/09/64/502150964.db2.gz SRZWNRKTEOSRLY-QUCCMNQESA-N 2 1 371.550 3.036 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000471840391 502150967 /nfs/dbraw/zinc/15/09/67/502150967.db2.gz SRZWNRKTEOSRLY-QUCCMNQESA-N 2 1 371.550 3.036 20 0 FGADMP CC[C@@H](C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)[NH+](CC)CC ZINC000461642678 502160891 /nfs/dbraw/zinc/16/08/91/502160891.db2.gz NRWCFGBEQCCIMV-UXHICEINSA-N 2 1 360.546 3.015 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000461728499 502181953 /nfs/dbraw/zinc/18/19/53/502181953.db2.gz PAHXAIKTLUXETE-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461790663 502202908 /nfs/dbraw/zinc/20/29/08/502202908.db2.gz JDEOELMKKHDEHC-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP CC(C)Oc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482871320 502204337 /nfs/dbraw/zinc/20/43/37/502204337.db2.gz QSBKARJRVDDRBQ-KRWDZBQOSA-N 2 1 361.530 3.067 20 0 FGADMP CC[C@H](C)C[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000482889245 502207339 /nfs/dbraw/zinc/20/73/39/502207339.db2.gz LMAOIYYIWAQLDX-SFHVURJKSA-N 2 1 359.558 3.444 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000472040627 502208159 /nfs/dbraw/zinc/20/81/59/502208159.db2.gz GXGADNKSFSHASX-GHTZIAJQSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472040627 502208164 /nfs/dbraw/zinc/20/81/64/502208164.db2.gz GXGADNKSFSHASX-GHTZIAJQSA-N 2 1 353.510 3.316 20 0 FGADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000465180152 502208265 /nfs/dbraw/zinc/20/82/65/502208265.db2.gz XIEZJSVYEYYMQW-AOIWGVFYSA-N 2 1 360.546 3.144 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000472085740 502225516 /nfs/dbraw/zinc/22/55/16/502225516.db2.gz TZMKTYIWNXQFSI-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000472096822 502230029 /nfs/dbraw/zinc/23/00/29/502230029.db2.gz WDPFJXNSSRCVKH-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000472129377 502242208 /nfs/dbraw/zinc/24/22/08/502242208.db2.gz BCTCQVRABMIQLJ-KURKYZTESA-N 2 1 369.509 3.058 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000461971480 502258437 /nfs/dbraw/zinc/25/84/37/502258437.db2.gz LZDNSJYCJAIWOW-UHFFFAOYSA-N 2 1 361.555 3.294 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000465449898 502266519 /nfs/dbraw/zinc/26/65/19/502266519.db2.gz WBLCRVSRVGJYFT-HXUWFJFHSA-N 2 1 374.573 3.411 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000465512045 502284178 /nfs/dbraw/zinc/28/41/78/502284178.db2.gz FCOLTEWXTPGHKM-NRFANRHFSA-N 2 1 374.573 3.402 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147791 502290715 /nfs/dbraw/zinc/29/07/15/502290715.db2.gz CMCVUEGDBJTRQL-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147791 502290722 /nfs/dbraw/zinc/29/07/22/502290722.db2.gz CMCVUEGDBJTRQL-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147791 502290727 /nfs/dbraw/zinc/29/07/27/502290727.db2.gz CMCVUEGDBJTRQL-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465531338 502291572 /nfs/dbraw/zinc/29/15/72/502291572.db2.gz ATBCGXGYZBDZNL-WCIQWLHISA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465531338 502291580 /nfs/dbraw/zinc/29/15/80/502291580.db2.gz ATBCGXGYZBDZNL-WCIQWLHISA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465531338 502291585 /nfs/dbraw/zinc/29/15/85/502291585.db2.gz ATBCGXGYZBDZNL-WCIQWLHISA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000472282933 502298450 /nfs/dbraw/zinc/29/84/50/502298450.db2.gz WUFLEIHHKLXAAR-LJQANCHMSA-N 2 1 369.509 3.211 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000472282933 502298456 /nfs/dbraw/zinc/29/84/56/502298456.db2.gz WUFLEIHHKLXAAR-LJQANCHMSA-N 2 1 369.509 3.211 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000472290150 502301913 /nfs/dbraw/zinc/30/19/13/502301913.db2.gz FAQMXHVWSQHNAH-SFHVURJKSA-N 2 1 367.921 3.101 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000465566883 502309423 /nfs/dbraw/zinc/30/94/23/502309423.db2.gz GQVOHCUDIMCSFJ-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606871 502324482 /nfs/dbraw/zinc/32/44/82/502324482.db2.gz QYGFYXXGFJEZIO-UYAOXDASSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465606871 502324486 /nfs/dbraw/zinc/32/44/86/502324486.db2.gz QYGFYXXGFJEZIO-UYAOXDASSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465606871 502324490 /nfs/dbraw/zinc/32/44/90/502324490.db2.gz QYGFYXXGFJEZIO-UYAOXDASSA-N 2 1 364.578 3.062 20 0 FGADMP COC1(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)CCCCC1 ZINC000483258333 502330431 /nfs/dbraw/zinc/33/04/31/502330431.db2.gz BIGHSPCAYNOKBN-UHFFFAOYSA-N 2 1 359.558 3.085 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000479676016 502340691 /nfs/dbraw/zinc/34/06/91/502340691.db2.gz OACVVYZUQFTOFE-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000479676016 502340699 /nfs/dbraw/zinc/34/06/99/502340699.db2.gz OACVVYZUQFTOFE-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000479676016 502340705 /nfs/dbraw/zinc/34/07/05/502340705.db2.gz OACVVYZUQFTOFE-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000479710459 502352799 /nfs/dbraw/zinc/35/27/99/502352799.db2.gz PZLDBJMJHMUENP-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000487097761 502357911 /nfs/dbraw/zinc/35/79/11/502357911.db2.gz PWACJDOKPHIETD-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP CC1=C(C)C[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483348758 502358704 /nfs/dbraw/zinc/35/87/04/502358704.db2.gz NAOQZEQFRCZPFZ-IBGZPJMESA-N 2 1 355.526 3.198 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744688 502368116 /nfs/dbraw/zinc/36/81/16/502368116.db2.gz FFJHYJVOCXGBPC-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465744688 502368117 /nfs/dbraw/zinc/36/81/17/502368117.db2.gz FFJHYJVOCXGBPC-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465744688 502368118 /nfs/dbraw/zinc/36/81/18/502368118.db2.gz FFJHYJVOCXGBPC-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000465817616 502393802 /nfs/dbraw/zinc/39/38/02/502393802.db2.gz SZKRXQWEBLCJSP-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000479876619 502406227 /nfs/dbraw/zinc/40/62/27/502406227.db2.gz UIFWXWCWXOGTPD-SLFFLAALSA-N 2 1 363.546 3.143 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427056 502412748 /nfs/dbraw/zinc/41/27/48/502412748.db2.gz XKSHAYDOQGFURA-SFTDATJTSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427056 502412755 /nfs/dbraw/zinc/41/27/55/502412755.db2.gz XKSHAYDOQGFURA-SFTDATJTSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427056 502412760 /nfs/dbraw/zinc/41/27/60/502412760.db2.gz XKSHAYDOQGFURA-SFTDATJTSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000469438430 502418114 /nfs/dbraw/zinc/41/81/14/502418114.db2.gz KLLJGCKAQUXSHU-PCCBWWKXSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000469438430 502418119 /nfs/dbraw/zinc/41/81/19/502418119.db2.gz KLLJGCKAQUXSHU-PCCBWWKXSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000469438430 502418124 /nfs/dbraw/zinc/41/81/24/502418124.db2.gz KLLJGCKAQUXSHU-PCCBWWKXSA-N 2 1 372.557 3.069 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000462396132 502420949 /nfs/dbraw/zinc/42/09/49/502420949.db2.gz NXVQUCUHJWVWKB-JOCHJYFZSA-N 2 1 365.477 3.493 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000465923184 502428379 /nfs/dbraw/zinc/42/83/79/502428379.db2.gz SMFIHPDFLIGZRM-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[C@@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000465944270 502435166 /nfs/dbraw/zinc/43/51/66/502435166.db2.gz XOPWVFLAOWGBNR-LEWJYISDSA-N 2 1 374.573 3.065 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465953259 502438545 /nfs/dbraw/zinc/43/85/45/502438545.db2.gz LVCDXBFMKOSEAY-FQEVSTJZSA-N 2 1 364.578 3.206 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000466030161 502459453 /nfs/dbraw/zinc/45/94/53/502459453.db2.gz BHLMPFXXXMCVID-GHTZIAJQSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000466030161 502459455 /nfs/dbraw/zinc/45/94/55/502459455.db2.gz BHLMPFXXXMCVID-GHTZIAJQSA-N 2 1 372.557 3.120 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000480072961 502464720 /nfs/dbraw/zinc/46/47/20/502464720.db2.gz ZPZMUTRPXNUPBH-ICSRJNTNSA-N 2 1 372.557 3.461 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000462508369 502469262 /nfs/dbraw/zinc/46/92/62/502469262.db2.gz VWIQPWGRWKQDTB-LJQANCHMSA-N 2 1 352.526 3.458 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)CC(C)C ZINC000483716866 502473228 /nfs/dbraw/zinc/47/32/28/502473228.db2.gz UCMPHHIFPSKIIN-CEXWTWQISA-N 2 1 354.583 3.257 20 0 FGADMP CCOC(=O)c1cnccc1N1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000480124333 502478578 /nfs/dbraw/zinc/47/85/78/502478578.db2.gz VFDAEQMWVKIIRX-OAHLLOKOSA-N 2 1 357.429 3.281 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000588708663 506315727 /nfs/dbraw/zinc/31/57/27/506315727.db2.gz BOJXVBMEJAERIW-QZTJIDSGSA-N 2 1 373.541 3.009 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC000483767196 502487076 /nfs/dbraw/zinc/48/70/76/502487076.db2.gz GAYRENQBBYCMKW-HOJAQTOUSA-N 2 1 360.546 3.112 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000466147892 502489463 /nfs/dbraw/zinc/48/94/63/502489463.db2.gz YRJNABKCMWEDMZ-UYAOXDASSA-N 2 1 360.546 3.067 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821514 502501158 /nfs/dbraw/zinc/50/11/58/502501158.db2.gz NBMLJENUQFFESX-DEICHXMPSA-N 2 1 374.447 3.055 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@H](C)C1 ZINC000480263887 502517678 /nfs/dbraw/zinc/51/76/78/502517678.db2.gz ZKKQAIVRQUVSEQ-KNQAVFIVSA-N 2 1 370.541 3.158 20 0 FGADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858952 502549935 /nfs/dbraw/zinc/54/99/35/502549935.db2.gz NDEYCPQZJVTESS-NLWGTHIKSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858952 502549939 /nfs/dbraw/zinc/54/99/39/502549939.db2.gz NDEYCPQZJVTESS-NLWGTHIKSA-N 2 1 364.578 3.013 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096495 502568514 /nfs/dbraw/zinc/56/85/14/502568514.db2.gz KZCWPRQDNDCQCA-FSPWUOQZSA-N 2 1 356.869 3.041 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096495 502568516 /nfs/dbraw/zinc/56/85/16/502568516.db2.gz KZCWPRQDNDCQCA-FSPWUOQZSA-N 2 1 356.869 3.041 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000484127976 502576864 /nfs/dbraw/zinc/57/68/64/502576864.db2.gz LUKONMADKCONMT-DHIUTWEWSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000484127976 502576870 /nfs/dbraw/zinc/57/68/70/502576870.db2.gz LUKONMADKCONMT-DHIUTWEWSA-N 2 1 366.505 3.299 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462794671 502577388 /nfs/dbraw/zinc/57/73/88/502577388.db2.gz HVEVAJWAULHQFT-OAQYLSRUSA-N 2 1 357.542 3.377 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462794671 502577391 /nfs/dbraw/zinc/57/73/91/502577391.db2.gz HVEVAJWAULHQFT-OAQYLSRUSA-N 2 1 357.542 3.377 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCCO ZINC000484130926 502578005 /nfs/dbraw/zinc/57/80/05/502578005.db2.gz QETCJYJLRNPPEG-NQIIRXRSSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCCO ZINC000484130926 502578007 /nfs/dbraw/zinc/57/80/07/502578007.db2.gz QETCJYJLRNPPEG-NQIIRXRSSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484146638 502583002 /nfs/dbraw/zinc/58/30/02/502583002.db2.gz QLMDDXXTIGJFQI-XGRCMKMKSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484146638 502583006 /nfs/dbraw/zinc/58/30/06/502583006.db2.gz QLMDDXXTIGJFQI-XGRCMKMKSA-N 2 1 354.469 3.286 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469888146 502584660 /nfs/dbraw/zinc/58/46/60/502584660.db2.gz MDLMLAKMJIPHGO-YUTCNCBUSA-N 2 1 352.404 3.151 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469888146 502584664 /nfs/dbraw/zinc/58/46/64/502584664.db2.gz MDLMLAKMJIPHGO-YUTCNCBUSA-N 2 1 352.404 3.151 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825267 502595855 /nfs/dbraw/zinc/59/58/55/502595855.db2.gz WKJKUSQAVIDKMH-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C[NH+]2CC[C@H](O)C2)c1 ZINC000462860400 502602231 /nfs/dbraw/zinc/60/22/31/502602231.db2.gz FZORVWXDRFGWQN-YFXJRYMSSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000462860400 502602238 /nfs/dbraw/zinc/60/22/38/502602238.db2.gz FZORVWXDRFGWQN-YFXJRYMSSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000462860400 502602243 /nfs/dbraw/zinc/60/22/43/502602243.db2.gz FZORVWXDRFGWQN-YFXJRYMSSA-N 2 1 365.521 3.186 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000476873290 502608896 /nfs/dbraw/zinc/60/88/96/502608896.db2.gz MMCYMJZVIYRUIP-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H]([N@H+](C)C[C@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098205 502625822 /nfs/dbraw/zinc/62/58/22/502625822.db2.gz BSVRCDTZUGYBCD-ADAARDCZSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+](C)C[C@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098205 502625827 /nfs/dbraw/zinc/62/58/27/502625827.db2.gz BSVRCDTZUGYBCD-ADAARDCZSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C[C@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098205 502625828 /nfs/dbraw/zinc/62/58/28/502625828.db2.gz BSVRCDTZUGYBCD-ADAARDCZSA-N 2 1 352.563 3.403 20 0 FGADMP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480625021 502626224 /nfs/dbraw/zinc/62/62/24/502626224.db2.gz ZXQGLOWGDRHVII-GOSISDBHSA-N 2 1 365.521 3.487 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850941 502688781 /nfs/dbraw/zinc/68/87/81/502688781.db2.gz VXHLPNNXDIJYAL-RXVVDRJESA-N 2 1 351.494 3.059 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850941 502688787 /nfs/dbraw/zinc/68/87/87/502688787.db2.gz VXHLPNNXDIJYAL-RXVVDRJESA-N 2 1 351.494 3.059 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488416301 502709476 /nfs/dbraw/zinc/70/94/76/502709476.db2.gz QKOYXIYKLNJIOH-NHCUHLMSSA-N 2 1 361.599 3.444 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466878351 502711995 /nfs/dbraw/zinc/71/19/95/502711995.db2.gz RWKMMTOELZVVFY-IBGZPJMESA-N 2 1 374.573 3.102 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000488470837 502724806 /nfs/dbraw/zinc/72/48/06/502724806.db2.gz WPJBNPQAOBERRS-NJDAHSKKSA-N 2 1 369.553 3.183 20 0 FGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484752430 502731267 /nfs/dbraw/zinc/73/12/67/502731267.db2.gz WJSIBCCHJABVID-KSZLIROESA-N 2 1 352.906 3.164 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000477340483 502747861 /nfs/dbraw/zinc/74/78/61/502747861.db2.gz UENILOLAKATWOU-NRFANRHFSA-N 2 1 374.573 3.414 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165552 502771021 /nfs/dbraw/zinc/77/10/21/502771021.db2.gz JIPJHMAPJPXVLE-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165552 502771022 /nfs/dbraw/zinc/77/10/22/502771022.db2.gz JIPJHMAPJPXVLE-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481185656 502776172 /nfs/dbraw/zinc/77/61/72/502776172.db2.gz WRFYJLWIZKEXJC-PKOBYXMFSA-N 2 1 371.550 3.173 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481185656 502776177 /nfs/dbraw/zinc/77/61/77/502776177.db2.gz WRFYJLWIZKEXJC-PKOBYXMFSA-N 2 1 371.550 3.173 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923975 502778964 /nfs/dbraw/zinc/77/89/64/502778964.db2.gz VPBLQMKWIQFDBH-RDJZCZTQSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923975 502778968 /nfs/dbraw/zinc/77/89/68/502778968.db2.gz VPBLQMKWIQFDBH-RDJZCZTQSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923975 502778975 /nfs/dbraw/zinc/77/89/75/502778975.db2.gz VPBLQMKWIQFDBH-RDJZCZTQSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000470509013 502799715 /nfs/dbraw/zinc/79/97/15/502799715.db2.gz ZOVZSRWCORRSEU-FQEVSTJZSA-N 2 1 374.573 3.411 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000470509013 502799721 /nfs/dbraw/zinc/79/97/21/502799721.db2.gz ZOVZSRWCORRSEU-FQEVSTJZSA-N 2 1 374.573 3.411 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)CC1CC1 ZINC000485010166 502800091 /nfs/dbraw/zinc/80/00/91/502800091.db2.gz RJMNBXYLNASPHX-NRFANRHFSA-N 2 1 373.541 3.070 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495667504 502856392 /nfs/dbraw/zinc/85/63/92/502856392.db2.gz HQZHSZMCJFDGKM-SFTDATJTSA-N 2 1 373.516 3.171 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495667504 502856397 /nfs/dbraw/zinc/85/63/97/502856397.db2.gz HQZHSZMCJFDGKM-SFTDATJTSA-N 2 1 373.516 3.171 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500769825 502859545 /nfs/dbraw/zinc/85/95/45/502859545.db2.gz SLJAOOHWJGQXOB-HDICACEKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000500840853 502875033 /nfs/dbraw/zinc/87/50/33/502875033.db2.gz VLSDROHAORWXPK-SLFFLAALSA-N 2 1 366.594 3.308 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CCC[N@H+](C(C)C)CC2)CC1 ZINC000505288903 502882821 /nfs/dbraw/zinc/88/28/21/502882821.db2.gz BKKMKMAANNHFLY-UHFFFAOYSA-N 2 1 358.574 3.135 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513233986 502885857 /nfs/dbraw/zinc/88/58/57/502885857.db2.gz QQEAQMXSTMVLKX-DENIHFKCSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513233986 502885861 /nfs/dbraw/zinc/88/58/61/502885861.db2.gz QQEAQMXSTMVLKX-DENIHFKCSA-N 2 1 360.542 3.462 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000496573428 502895494 /nfs/dbraw/zinc/89/54/94/502895494.db2.gz OLHGEKFNHFCUKJ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000501029179 502916176 /nfs/dbraw/zinc/91/61/76/502916176.db2.gz MXIWRLODIWVBCO-KRWDZBQOSA-N 2 1 363.550 3.184 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033394 502916952 /nfs/dbraw/zinc/91/69/52/502916952.db2.gz CRQHNYXXLDRHOK-HSALFYBXSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033394 502916956 /nfs/dbraw/zinc/91/69/56/502916956.db2.gz CRQHNYXXLDRHOK-HSALFYBXSA-N 2 1 374.525 3.325 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000501043682 502920386 /nfs/dbraw/zinc/92/03/86/502920386.db2.gz DIXKDLDZIOHIPO-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000501043682 502920388 /nfs/dbraw/zinc/92/03/88/502920388.db2.gz DIXKDLDZIOHIPO-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000501043682 502920393 /nfs/dbraw/zinc/92/03/93/502920393.db2.gz DIXKDLDZIOHIPO-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045896 502920671 /nfs/dbraw/zinc/92/06/71/502920671.db2.gz OFXPEQHMUJEIJR-UXHICEINSA-N 2 1 360.546 3.161 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000501049070 502922059 /nfs/dbraw/zinc/92/20/59/502922059.db2.gz SNYHABJVRWEEKG-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000501049070 502922064 /nfs/dbraw/zinc/92/20/64/502922064.db2.gz SNYHABJVRWEEKG-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000501049070 502922069 /nfs/dbraw/zinc/92/20/69/502922069.db2.gz SNYHABJVRWEEKG-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000501062266 502925342 /nfs/dbraw/zinc/92/53/42/502925342.db2.gz IKDDCNKACQAVQL-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000501062266 502925345 /nfs/dbraw/zinc/92/53/45/502925345.db2.gz IKDDCNKACQAVQL-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000501062266 502925347 /nfs/dbraw/zinc/92/53/47/502925347.db2.gz IKDDCNKACQAVQL-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000513405790 502929201 /nfs/dbraw/zinc/92/92/01/502929201.db2.gz IVROXMWEXUGXRK-HXUWFJFHSA-N 2 1 369.553 3.171 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000513466478 502946929 /nfs/dbraw/zinc/94/69/29/502946929.db2.gz GIHRXSMRGIAZRK-ZFWWWQNUSA-N 2 1 371.344 3.032 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516141 502977291 /nfs/dbraw/zinc/97/72/91/502977291.db2.gz FXWOCJWRASMXIY-YLJYHZDGSA-N 2 1 374.525 3.119 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516141 502977297 /nfs/dbraw/zinc/97/72/97/502977297.db2.gz FXWOCJWRASMXIY-YLJYHZDGSA-N 2 1 374.525 3.119 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccccc1 ZINC000505760525 502980260 /nfs/dbraw/zinc/98/02/60/502980260.db2.gz TWRNUXRYQSCCPF-QZTJIDSGSA-N 2 1 363.571 3.042 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)c1ccccc1 ZINC000505819664 502992189 /nfs/dbraw/zinc/99/21/89/502992189.db2.gz SUZBDDFGKBXXKE-FQEVSTJZSA-N 2 1 359.558 3.229 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501488892 503019087 /nfs/dbraw/zinc/01/90/87/503019087.db2.gz DQUQGSMNRIGWGW-ZGXWSNOMSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000501488892 503019091 /nfs/dbraw/zinc/01/90/91/503019091.db2.gz DQUQGSMNRIGWGW-ZGXWSNOMSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000501488892 503019096 /nfs/dbraw/zinc/01/90/96/503019096.db2.gz DQUQGSMNRIGWGW-ZGXWSNOMSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000501508047 503023788 /nfs/dbraw/zinc/02/37/88/503023788.db2.gz XYNJSJVZUYHUOT-FUHWJXTLSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000501519629 503027338 /nfs/dbraw/zinc/02/73/38/503027338.db2.gz BPVSJYLCMIYPJH-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000501519629 503027342 /nfs/dbraw/zinc/02/73/42/503027342.db2.gz BPVSJYLCMIYPJH-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000501550414 503035503 /nfs/dbraw/zinc/03/55/03/503035503.db2.gz KPQHIDYMQMMJFM-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1Br)CC1CCCC1 ZINC000489828354 503043476 /nfs/dbraw/zinc/04/34/76/503043476.db2.gz VWHNHPHYQMNVTK-UHFFFAOYSA-N 2 1 368.319 3.229 20 0 FGADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1Br)CC1CCCC1 ZINC000489828354 503043479 /nfs/dbraw/zinc/04/34/79/503043479.db2.gz VWHNHPHYQMNVTK-UHFFFAOYSA-N 2 1 368.319 3.229 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2OC)CC1 ZINC000501786099 503079428 /nfs/dbraw/zinc/07/94/28/503079428.db2.gz PKNOSKLPRDDRFI-UHFFFAOYSA-N 2 1 352.494 3.405 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1-n1ccnn1 ZINC000514083186 503082872 /nfs/dbraw/zinc/08/28/72/503082872.db2.gz KAENGUHATGFMQC-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1-n1ccnn1 ZINC000514083186 503082874 /nfs/dbraw/zinc/08/28/74/503082874.db2.gz KAENGUHATGFMQC-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000514126708 503094775 /nfs/dbraw/zinc/09/47/75/503094775.db2.gz LHSXEFYMXUAECS-RTBURBONSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000514126708 503094779 /nfs/dbraw/zinc/09/47/79/503094779.db2.gz LHSXEFYMXUAECS-RTBURBONSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000514126708 503094781 /nfs/dbraw/zinc/09/47/81/503094781.db2.gz LHSXEFYMXUAECS-RTBURBONSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506448743 503116602 /nfs/dbraw/zinc/11/66/02/503116602.db2.gz UTKPTRBFDILELB-GOSISDBHSA-N 2 1 362.558 3.388 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000490172699 503122140 /nfs/dbraw/zinc/12/21/40/503122140.db2.gz QCCZVTSGDRTULG-XLIONFOSSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472749 503122205 /nfs/dbraw/zinc/12/22/05/503122205.db2.gz USSMJMOROVXYMF-IRLDBZIGSA-N 2 1 371.569 3.322 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000498250034 503142521 /nfs/dbraw/zinc/14/25/21/503142521.db2.gz HAEBJCZSHOFTNR-ROUUACIJSA-N 2 1 360.546 3.153 20 0 FGADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000514588193 503142957 /nfs/dbraw/zinc/14/29/57/503142957.db2.gz YFQNVZYWKXQHRI-JKBKZWBZSA-N 2 1 354.498 3.377 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510581827 503149500 /nfs/dbraw/zinc/14/95/00/503149500.db2.gz RMMASMQQWAHVKY-NRFANRHFSA-N 2 1 368.525 3.185 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510581827 503149504 /nfs/dbraw/zinc/14/95/04/503149504.db2.gz RMMASMQQWAHVKY-NRFANRHFSA-N 2 1 368.525 3.185 20 0 FGADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502366926 503187887 /nfs/dbraw/zinc/18/78/87/503187887.db2.gz BRMQOXWUZLNNCZ-UHFFFAOYSA-N 2 1 363.505 3.242 20 0 FGADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502366926 503187888 /nfs/dbraw/zinc/18/78/88/503187888.db2.gz BRMQOXWUZLNNCZ-UHFFFAOYSA-N 2 1 363.505 3.242 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000490762099 503224460 /nfs/dbraw/zinc/22/44/60/503224460.db2.gz WWVPNSUGECKGTC-RXVVDRJESA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H]1CC[C@H](CN(CCn2ccnc2)Cc2ccc(Br)o2)O1 ZINC000510963936 503226182 /nfs/dbraw/zinc/22/61/82/503226182.db2.gz BRHYCQGFGVOQPJ-UONOGXRCSA-N 2 1 368.275 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC[C@@H]3CCCC[NH+]3C)c2)C[C@H](C)O1 ZINC000498634904 503228930 /nfs/dbraw/zinc/22/89/30/503228930.db2.gz CNGVWYFKBDGKSI-UEXGIBASSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC[C@@H]3CCCC[NH+]3C)c2)C[C@H](C)O1 ZINC000498634904 503228934 /nfs/dbraw/zinc/22/89/34/503228934.db2.gz CNGVWYFKBDGKSI-UEXGIBASSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)c2)C[C@H](C)O1 ZINC000498634904 503228940 /nfs/dbraw/zinc/22/89/40/503228940.db2.gz CNGVWYFKBDGKSI-UEXGIBASSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)C[C@H](C)O1 ZINC000498634904 503228943 /nfs/dbraw/zinc/22/89/43/503228943.db2.gz CNGVWYFKBDGKSI-UEXGIBASSA-N 2 1 373.541 3.499 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000514933086 503230846 /nfs/dbraw/zinc/23/08/46/503230846.db2.gz NOBXCCPFKUGFFA-TZIWHRDSSA-N 2 1 357.498 3.016 20 0 FGADMP Cc1ccnc([C@H]2CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)c1 ZINC000514947775 503233432 /nfs/dbraw/zinc/23/34/32/503233432.db2.gz JYSMJDLQXAMZAV-NRFANRHFSA-N 2 1 364.537 3.392 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COc3ccccc3F)C2)CC1 ZINC000498858424 503277351 /nfs/dbraw/zinc/27/73/51/503277351.db2.gz UNGGFHHVKHKSPQ-OALUTQOASA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3F)C2)CC1 ZINC000498858424 503277355 /nfs/dbraw/zinc/27/73/55/503277355.db2.gz UNGGFHHVKHKSPQ-OALUTQOASA-N 2 1 364.505 3.009 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccsc1 ZINC000507390732 503292147 /nfs/dbraw/zinc/29/21/47/503292147.db2.gz LRTPQVLKSMFAMO-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC2)CC1 ZINC000515386551 503328947 /nfs/dbraw/zinc/32/89/47/503328947.db2.gz PVXRJXRUYCVFLU-NHCUHLMSSA-N 2 1 361.574 3.221 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@@H]3C3CC3)CC2)CC1 ZINC000515386551 503328949 /nfs/dbraw/zinc/32/89/49/503328949.db2.gz PVXRJXRUYCVFLU-NHCUHLMSSA-N 2 1 361.574 3.221 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503033008 503330166 /nfs/dbraw/zinc/33/01/66/503330166.db2.gz NDNYEAXTGPAVCN-HKUYNNGSSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502783 503333997 /nfs/dbraw/zinc/33/39/97/503333997.db2.gz FOURYZXGBMBPCY-YZGWKJHDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502783 503334002 /nfs/dbraw/zinc/33/40/02/503334002.db2.gz FOURYZXGBMBPCY-YZGWKJHDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502783 503334007 /nfs/dbraw/zinc/33/40/07/503334007.db2.gz FOURYZXGBMBPCY-YZGWKJHDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000503086526 503343243 /nfs/dbraw/zinc/34/32/43/503343243.db2.gz UUYJNTBCNBIVGO-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C[C@@H](C)O1 ZINC000507896356 503390525 /nfs/dbraw/zinc/39/05/25/503390525.db2.gz DGRMMHVZWKHPMK-HLIPFELVSA-N 2 1 374.504 3.128 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCCC3(C)C)CC2)cc1 ZINC000492887364 503391223 /nfs/dbraw/zinc/39/12/23/503391223.db2.gz HFKMGWHHHRBZBD-HXUWFJFHSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@H+]1C ZINC000511882870 503407217 /nfs/dbraw/zinc/40/72/17/503407217.db2.gz XOQSNOLBHDNJOI-HOJAQTOUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882870 503407219 /nfs/dbraw/zinc/40/72/19/503407219.db2.gz XOQSNOLBHDNJOI-HOJAQTOUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882870 503407222 /nfs/dbraw/zinc/40/72/22/503407222.db2.gz XOQSNOLBHDNJOI-HOJAQTOUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000515879642 503416194 /nfs/dbraw/zinc/41/61/94/503416194.db2.gz CCXDISOPEOOPNH-IIBYNOLFSA-N 2 1 373.516 3.342 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)s1 ZINC000511978810 503427502 /nfs/dbraw/zinc/42/75/02/503427502.db2.gz PBHDVSJWZKRDFG-LJQANCHMSA-N 2 1 358.555 3.205 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)s1 ZINC000511978810 503427504 /nfs/dbraw/zinc/42/75/04/503427504.db2.gz PBHDVSJWZKRDFG-LJQANCHMSA-N 2 1 358.555 3.205 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cnc4ccccc4c3)CC2)CC1 ZINC000499554254 503430649 /nfs/dbraw/zinc/43/06/49/503430649.db2.gz SYNQYXJNZQFJEN-UHFFFAOYSA-N 2 1 352.526 3.225 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1)CC(C)C ZINC000516058600 503438878 /nfs/dbraw/zinc/43/88/78/503438878.db2.gz IYQBWXGACQFGAK-UHFFFAOYSA-N 2 1 374.573 3.435 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000508141297 503440184 /nfs/dbraw/zinc/44/01/84/503440184.db2.gz MJOURAWJRNZKDA-AWEZNQCLSA-N 2 1 360.454 3.050 20 0 FGADMP C[C@](O)(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601398 503441012 /nfs/dbraw/zinc/44/10/12/503441012.db2.gz XOLXHGLDAVRYPE-KRWDZBQOSA-N 2 1 356.432 3.288 20 0 FGADMP C[C@@H]([NH3+])[C@H](C)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000493824671 503448264 /nfs/dbraw/zinc/44/82/64/503448264.db2.gz TYQNOLKDQKVPHL-RBUKOAKNSA-N 2 1 353.510 3.131 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000516163554 503460090 /nfs/dbraw/zinc/46/00/90/503460090.db2.gz HFINYXIQPIBQCT-QUCCMNQESA-N 2 1 360.546 3.051 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000499797368 503484890 /nfs/dbraw/zinc/48/48/90/503484890.db2.gz OEBPTBHJGXHKHK-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CC4)c4ccccc43)CC2)CC1 ZINC000516313275 503492631 /nfs/dbraw/zinc/49/26/31/503492631.db2.gz LXVFLSZTKGLOOL-UHFFFAOYSA-N 2 1 367.537 3.261 20 0 FGADMP O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244431 503496830 /nfs/dbraw/zinc/49/68/30/503496830.db2.gz ODRYTFMXMJVLHG-GGAORHGYSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244431 503496833 /nfs/dbraw/zinc/49/68/33/503496833.db2.gz ODRYTFMXMJVLHG-GGAORHGYSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244431 503496836 /nfs/dbraw/zinc/49/68/36/503496836.db2.gz ODRYTFMXMJVLHG-GGAORHGYSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244431 503496840 /nfs/dbraw/zinc/49/68/40/503496840.db2.gz ODRYTFMXMJVLHG-GGAORHGYSA-N 2 1 366.505 3.024 20 0 FGADMP COc1cc(C)[nH+]c(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000512249849 503498741 /nfs/dbraw/zinc/49/87/41/503498741.db2.gz ALSQHMZZJHHBMF-QFIPXVFZSA-N 2 1 351.494 3.497 20 0 FGADMP COc1cc(C)[nH+]c(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000512249849 503498747 /nfs/dbraw/zinc/49/87/47/503498747.db2.gz ALSQHMZZJHHBMF-QFIPXVFZSA-N 2 1 351.494 3.497 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(Br)c1 ZINC000499905496 503508099 /nfs/dbraw/zinc/50/80/99/503508099.db2.gz JKDMENGZPSGSNK-UHFFFAOYSA-N 2 1 368.319 3.195 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693740 503544524 /nfs/dbraw/zinc/54/45/24/503544524.db2.gz BJQXSLDCWAVDJZ-SIKLNZKXSA-N 2 1 365.521 3.225 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423678 503546039 /nfs/dbraw/zinc/54/60/39/503546039.db2.gz JBSHAEHWHNHCDT-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423678 503546042 /nfs/dbraw/zinc/54/60/42/503546042.db2.gz JBSHAEHWHNHCDT-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423678 503546046 /nfs/dbraw/zinc/54/60/46/503546046.db2.gz JBSHAEHWHNHCDT-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000516612054 503549233 /nfs/dbraw/zinc/54/92/33/503549233.db2.gz RLKJJYRNIIXCTM-JMJGKCIBSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000516612054 503549234 /nfs/dbraw/zinc/54/92/34/503549234.db2.gz RLKJJYRNIIXCTM-JMJGKCIBSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000500103642 503554956 /nfs/dbraw/zinc/55/49/56/503554956.db2.gz KNUBNJLGMXTZEV-OALUTQOASA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000500102735 503555080 /nfs/dbraw/zinc/55/50/80/503555080.db2.gz FSVVDRBVNAJEMV-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494615894 503574510 /nfs/dbraw/zinc/57/45/10/503574510.db2.gz PLNUPKXZDGJWMB-CQSZACIVSA-N 2 1 354.420 3.380 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4cccnc4o3)c2)CCO1 ZINC000516711420 503574597 /nfs/dbraw/zinc/57/45/97/503574597.db2.gz QWVKYPWTCPRESH-INIZCTEOSA-N 2 1 351.450 3.338 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4cccnc4o3)c2)CCO1 ZINC000516711420 503574602 /nfs/dbraw/zinc/57/46/02/503574602.db2.gz QWVKYPWTCPRESH-INIZCTEOSA-N 2 1 351.450 3.338 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc4cccnc4o3)c2)CCO1 ZINC000516711421 503574881 /nfs/dbraw/zinc/57/48/81/503574881.db2.gz QWVKYPWTCPRESH-MRXNPFEDSA-N 2 1 351.450 3.338 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc4cccnc4o3)c2)CCO1 ZINC000516711421 503574886 /nfs/dbraw/zinc/57/48/86/503574886.db2.gz QWVKYPWTCPRESH-MRXNPFEDSA-N 2 1 351.450 3.338 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860226 503580625 /nfs/dbraw/zinc/58/06/25/503580625.db2.gz DGXRKUQQKOHUSR-SVFBPWRDSA-N 2 1 374.573 3.360 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000508872393 503583870 /nfs/dbraw/zinc/58/38/70/503583870.db2.gz RQQGDYGBVRVAKA-GHTZIAJQSA-N 2 1 372.557 3.338 20 0 FGADMP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637200 503600638 /nfs/dbraw/zinc/60/06/38/503600638.db2.gz SMWWXZIEEAUFAU-OKZBNKHCSA-N 2 1 356.432 3.456 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654077 503603745 /nfs/dbraw/zinc/60/37/45/503603745.db2.gz JCFCNSNEWXKXNJ-YPAWHYETSA-N 2 1 369.553 3.279 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054901 503655491 /nfs/dbraw/zinc/65/54/91/503655491.db2.gz CYZPQKBAQRPEJT-JKSUJKDBSA-N 2 1 357.420 3.428 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054901 503655501 /nfs/dbraw/zinc/65/55/01/503655501.db2.gz CYZPQKBAQRPEJT-JKSUJKDBSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054901 503655505 /nfs/dbraw/zinc/65/55/05/503655505.db2.gz CYZPQKBAQRPEJT-JKSUJKDBSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054901 503655510 /nfs/dbraw/zinc/65/55/10/503655510.db2.gz CYZPQKBAQRPEJT-JKSUJKDBSA-N 2 1 357.420 3.428 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000536676642 503674591 /nfs/dbraw/zinc/67/45/91/503674591.db2.gz KFXDRKFZGDGGIJ-YLJYHZDGSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@H+]1Cc1ccccc1 ZINC000536676642 503674595 /nfs/dbraw/zinc/67/45/95/503674595.db2.gz KFXDRKFZGDGGIJ-YLJYHZDGSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676642 503674601 /nfs/dbraw/zinc/67/46/01/503674601.db2.gz KFXDRKFZGDGGIJ-YLJYHZDGSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676642 503674610 /nfs/dbraw/zinc/67/46/10/503674610.db2.gz KFXDRKFZGDGGIJ-YLJYHZDGSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122870 503675593 /nfs/dbraw/zinc/67/55/93/503675593.db2.gz TVWFJJOFKDFMLT-QUCCMNQESA-N 2 1 357.542 3.450 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000536696507 503684650 /nfs/dbraw/zinc/68/46/50/503684650.db2.gz STXITXFVOFSZIG-HXUWFJFHSA-N 2 1 356.514 3.318 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000540137807 503685460 /nfs/dbraw/zinc/68/54/60/503685460.db2.gz RDPOVVOIZXUWED-SIKLNZKXSA-N 2 1 374.573 3.025 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000540145534 503687866 /nfs/dbraw/zinc/68/78/66/503687866.db2.gz UOYFSDITCSOPPH-AWEZNQCLSA-N 2 1 367.896 3.437 20 0 FGADMP C[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543401652 503755536 /nfs/dbraw/zinc/75/55/36/503755536.db2.gz ZSEOVGWGQOJUCR-PBHICJAKSA-N 2 1 371.447 3.205 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CCCC)CC1 ZINC000517505872 503760084 /nfs/dbraw/zinc/76/00/84/503760084.db2.gz GNZCXCZSOSHKAO-IBGZPJMESA-N 2 1 352.567 3.205 20 0 FGADMP COC(=O)c1ccc(C[N@H+](CCn2ccnc2)Cc2cccc(Cl)c2)[nH]1 ZINC000517627606 503789824 /nfs/dbraw/zinc/78/98/24/503789824.db2.gz ZNZMVCODUAAJKX-UHFFFAOYSA-N 2 1 372.856 3.354 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](CCn2ccnc2)Cc2cccc(Cl)c2)[nH]1 ZINC000517627606 503789830 /nfs/dbraw/zinc/78/98/30/503789830.db2.gz ZNZMVCODUAAJKX-UHFFFAOYSA-N 2 1 372.856 3.354 20 0 FGADMP Cc1ccc(SCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000517652647 503797385 /nfs/dbraw/zinc/79/73/85/503797385.db2.gz CJIXLXLEKUAMAG-UHFFFAOYSA-N 2 1 370.522 3.263 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@@H+]2CC=C(C)CC2)CC1 ZINC000546590688 503800114 /nfs/dbraw/zinc/80/01/14/503800114.db2.gz RQABMXAFAWYHMG-UHFFFAOYSA-N 2 1 364.578 3.182 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740754 503823212 /nfs/dbraw/zinc/82/32/12/503823212.db2.gz UDKILFNUKSPVKV-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543597213 503824510 /nfs/dbraw/zinc/82/45/10/503824510.db2.gz ZZFOHVDTZBFHSA-PKOBYXMFSA-N 2 1 364.921 3.109 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)nc(C)[nH+]1 ZINC000546653608 503825717 /nfs/dbraw/zinc/82/57/17/503825717.db2.gz LBDVXBLAMUDVMA-NLWGTHIKSA-N 2 1 358.530 3.247 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]([C@H](C)C3CC3)C3CC3)CC2)cc1 ZINC000546706764 503845391 /nfs/dbraw/zinc/84/53/91/503845391.db2.gz OMDJJFVWJLXPOB-LJQANCHMSA-N 2 1 369.553 3.292 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889396 503859461 /nfs/dbraw/zinc/85/94/61/503859461.db2.gz KZGQTCIRZWIBKI-NRSPTQNISA-N 2 1 372.557 3.242 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]1OC ZINC000537293992 503871665 /nfs/dbraw/zinc/87/16/65/503871665.db2.gz POOIMFKQLOZHMV-NCYKPQTJSA-N 2 1 360.542 3.053 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@@H]1OC ZINC000537293992 503871667 /nfs/dbraw/zinc/87/16/67/503871667.db2.gz POOIMFKQLOZHMV-NCYKPQTJSA-N 2 1 360.542 3.053 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239275 503888051 /nfs/dbraw/zinc/88/80/51/503888051.db2.gz RBYUBBAIGXSMHS-LJQANCHMSA-N 2 1 373.541 3.147 20 0 FGADMP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530238783 503888711 /nfs/dbraw/zinc/88/87/11/503888711.db2.gz CDCXFMWGGVDIEQ-OAHLLOKOSA-N 2 1 371.294 3.179 20 0 FGADMP Fc1cccc(Br)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240430 503889998 /nfs/dbraw/zinc/88/99/98/503889998.db2.gz KWYNMUJUOBPJMF-CQSZACIVSA-N 2 1 371.294 3.179 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)[NH+](C)C ZINC000518027063 503893278 /nfs/dbraw/zinc/89/32/78/503893278.db2.gz ZPWDCKSHCADPFT-OAQYLSRUSA-N 2 1 353.510 3.070 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518067824 503902825 /nfs/dbraw/zinc/90/28/25/503902825.db2.gz DKWYBOLPCCIGFN-OTWHNJEPSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccc(N[C@H]2CC[N@@H+](C)C[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833096 503909159 /nfs/dbraw/zinc/90/91/59/503909159.db2.gz JYRGHSOROHGHQG-MJGOQNOKSA-N 2 1 358.530 3.172 20 0 FGADMP Cc1ccc(N[C@H]2CC[N@H+](C)C[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833096 503909165 /nfs/dbraw/zinc/90/91/65/503909165.db2.gz JYRGHSOROHGHQG-MJGOQNOKSA-N 2 1 358.530 3.172 20 0 FGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000530407293 503955314 /nfs/dbraw/zinc/95/53/14/503955314.db2.gz NATHKBAITDSNOW-HNNXBMFYSA-N 2 1 361.511 3.030 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000544003528 503967884 /nfs/dbraw/zinc/96/78/84/503967884.db2.gz NSUAHNCVAKFCEP-MRXNPFEDSA-N 2 1 363.933 3.266 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000533882429 503978880 /nfs/dbraw/zinc/97/88/80/503978880.db2.gz FQVQEAVYRZWBDM-KRWDZBQOSA-N 2 1 371.447 3.252 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000533882429 503978883 /nfs/dbraw/zinc/97/88/83/503978883.db2.gz FQVQEAVYRZWBDM-KRWDZBQOSA-N 2 1 371.447 3.252 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000528008699 504037835 /nfs/dbraw/zinc/03/78/35/504037835.db2.gz XAKAXRMFHXAZAM-VOQZNFBZSA-N 2 1 363.505 3.314 20 0 FGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000544190226 504042613 /nfs/dbraw/zinc/04/26/13/504042613.db2.gz HLZDVBIFVYQWBF-QUCCMNQESA-N 2 1 373.541 3.263 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537792456 504044201 /nfs/dbraw/zinc/04/42/01/504044201.db2.gz MUEIKARLCYQUEZ-HXUWFJFHSA-N 2 1 358.530 3.021 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000518723663 504049469 /nfs/dbraw/zinc/04/94/69/504049469.db2.gz KLXLKBCDYHBFOO-IBGZPJMESA-N 2 1 352.567 3.253 20 0 FGADMP C[C@@H](CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544252710 504061131 /nfs/dbraw/zinc/06/11/31/504061131.db2.gz DMLBSJYOJYDQSA-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000547367967 504078737 /nfs/dbraw/zinc/07/87/37/504078737.db2.gz YFTAGQFMSWSJDJ-MSOLQXFVSA-N 2 1 371.525 3.163 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937257 504089508 /nfs/dbraw/zinc/08/95/08/504089508.db2.gz DBQWDEVDCPUUPV-LALPHHSUSA-N 2 1 369.303 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937257 504089515 /nfs/dbraw/zinc/08/95/15/504089515.db2.gz DBQWDEVDCPUUPV-LALPHHSUSA-N 2 1 369.303 3.039 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952499 504094426 /nfs/dbraw/zinc/09/44/26/504094426.db2.gz IDIWRWDVNMLYDT-PGRDOPGGSA-N 2 1 370.541 3.314 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099207 /nfs/dbraw/zinc/09/92/07/504099207.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099211 /nfs/dbraw/zinc/09/92/11/504099211.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099218 /nfs/dbraw/zinc/09/92/18/504099218.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099225 /nfs/dbraw/zinc/09/92/25/504099225.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000537971272 504099227 /nfs/dbraw/zinc/09/92/27/504099227.db2.gz GNZDJRUNOKZWHV-NNXSRULWSA-N 3 1 373.585 3.376 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003660 504159161 /nfs/dbraw/zinc/15/91/61/504159161.db2.gz HDIXIPWLZVAMSI-PMACEKPBSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000531003660 504159163 /nfs/dbraw/zinc/15/91/63/504159163.db2.gz HDIXIPWLZVAMSI-PMACEKPBSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000531003660 504159165 /nfs/dbraw/zinc/15/91/65/504159165.db2.gz HDIXIPWLZVAMSI-PMACEKPBSA-N 2 1 364.578 3.061 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000541535946 504167592 /nfs/dbraw/zinc/16/75/92/504167592.db2.gz YOGYWEQLKHGWHQ-UARRHKHWSA-N 2 1 364.533 3.480 20 0 FGADMP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)c1ccc(F)cc1 ZINC000528363891 504188303 /nfs/dbraw/zinc/18/83/03/504188303.db2.gz GIMDMAMPXQXNLN-DBXWQHBBSA-N 2 1 363.521 3.004 20 0 FGADMP C[C@@H](CC1CCCCC1)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000544612049 504190720 /nfs/dbraw/zinc/19/07/20/504190720.db2.gz WLWLICBPJQSEBF-IBGZPJMESA-N 2 1 363.590 3.469 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000531107704 504191599 /nfs/dbraw/zinc/19/15/99/504191599.db2.gz IJISMRQRBWXEIG-LJQANCHMSA-N 2 1 359.558 3.394 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603698 504195239 /nfs/dbraw/zinc/19/52/39/504195239.db2.gz ULKQNGGKUFKFJP-UTGHEAJTSA-N 2 1 373.585 3.170 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603698 504195244 /nfs/dbraw/zinc/19/52/44/504195244.db2.gz ULKQNGGKUFKFJP-UTGHEAJTSA-N 2 1 373.585 3.170 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000544678602 504213256 /nfs/dbraw/zinc/21/32/56/504213256.db2.gz DUZIVIGMNHMRPK-UHFFFAOYSA-N 2 1 353.514 3.343 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC3CC3)CC3CC3)CC2)cc1 ZINC000538349864 504217529 /nfs/dbraw/zinc/21/75/29/504217529.db2.gz QNBCEYGPVZHDAC-UHFFFAOYSA-N 2 1 369.553 3.151 20 0 FGADMP CCc1ccc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000547785980 504225644 /nfs/dbraw/zinc/22/56/44/504225644.db2.gz UNPXRPGDZVITSD-OAQYLSRUSA-N 2 1 353.510 3.100 20 0 FGADMP CCc1ccc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000547785980 504225648 /nfs/dbraw/zinc/22/56/48/504225648.db2.gz UNPXRPGDZVITSD-OAQYLSRUSA-N 2 1 353.510 3.100 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476295 504229629 /nfs/dbraw/zinc/22/96/29/504229629.db2.gz FBXVZQDNYZNILQ-JRGCBEDISA-N 2 1 351.494 3.241 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476295 504229635 /nfs/dbraw/zinc/22/96/35/504229635.db2.gz FBXVZQDNYZNILQ-JRGCBEDISA-N 2 1 351.494 3.241 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000528486538 504244306 /nfs/dbraw/zinc/24/43/06/504244306.db2.gz GEVCMYGBLDDTRC-IFMALSPDSA-N 2 1 371.569 3.333 20 0 FGADMP CC[C@@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[NH+](CC)CC ZINC000531293174 504254406 /nfs/dbraw/zinc/25/44/06/504254406.db2.gz AIKVTZIQRLSPHS-SFHVURJKSA-N 2 1 367.578 3.037 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000541816479 504262842 /nfs/dbraw/zinc/26/28/42/504262842.db2.gz FQBVIOZYGHDKEZ-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000541836178 504268747 /nfs/dbraw/zinc/26/87/47/504268747.db2.gz PHYLFGCBZNLOHY-UHFFFAOYSA-N 2 1 365.525 3.274 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616117 504304944 /nfs/dbraw/zinc/30/49/44/504304944.db2.gz VEOAHQAEELORNR-MJGOQNOKSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616117 504304950 /nfs/dbraw/zinc/30/49/50/504304950.db2.gz VEOAHQAEELORNR-MJGOQNOKSA-N 2 1 352.482 3.053 20 0 FGADMP CN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548061173 504314965 /nfs/dbraw/zinc/31/49/65/504314965.db2.gz NEXSNZKPZDDJJU-OAQYLSRUSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548061173 504314970 /nfs/dbraw/zinc/31/49/70/504314970.db2.gz NEXSNZKPZDDJJU-OAQYLSRUSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548061173 504314975 /nfs/dbraw/zinc/31/49/75/504314975.db2.gz NEXSNZKPZDDJJU-OAQYLSRUSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000531485310 504325047 /nfs/dbraw/zinc/32/50/47/504325047.db2.gz TYWIWWYJAQUWGL-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000531485310 504325054 /nfs/dbraw/zinc/32/50/54/504325054.db2.gz TYWIWWYJAQUWGL-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000531485310 504325059 /nfs/dbraw/zinc/32/50/59/504325059.db2.gz TYWIWWYJAQUWGL-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698685 504337722 /nfs/dbraw/zinc/33/77/22/504337722.db2.gz BHWQWVPUWFZIAD-HKUYNNGSSA-N 2 1 363.933 3.105 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698685 504337724 /nfs/dbraw/zinc/33/77/24/504337724.db2.gz BHWQWVPUWFZIAD-HKUYNNGSSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698685 504337727 /nfs/dbraw/zinc/33/77/27/504337727.db2.gz BHWQWVPUWFZIAD-HKUYNNGSSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698685 504337730 /nfs/dbraw/zinc/33/77/30/504337730.db2.gz BHWQWVPUWFZIAD-HKUYNNGSSA-N 2 1 363.933 3.105 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728064 504351898 /nfs/dbraw/zinc/35/18/98/504351898.db2.gz IJQQXENYHABMEY-QHCPKHFHSA-N 2 1 371.569 3.262 20 0 FGADMP O[C@]1(C[NH2+]Cc2ccc(F)c3cccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC000531581820 504353020 /nfs/dbraw/zinc/35/30/20/504353020.db2.gz ZNNITWBKXSPZDH-QFIPXVFZSA-N 2 1 365.452 3.101 20 0 FGADMP O[C@]1(C[NH2+]Cc2ccc(F)c3cccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000531581820 504353025 /nfs/dbraw/zinc/35/30/25/504353025.db2.gz ZNNITWBKXSPZDH-QFIPXVFZSA-N 2 1 365.452 3.101 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000531696883 504395738 /nfs/dbraw/zinc/39/57/38/504395738.db2.gz AAMMSBHBZVAJJB-RZFNWQHOSA-N 2 1 370.512 3.477 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@H+]1C ZINC000542185191 504396938 /nfs/dbraw/zinc/39/69/38/504396938.db2.gz IQFXQFVTRBOXCU-DEXHYYOUSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000520069022 504406585 /nfs/dbraw/zinc/40/65/85/504406585.db2.gz ZSOCVOAZBFXRFY-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)c1 ZINC000520146790 504419403 /nfs/dbraw/zinc/41/94/03/504419403.db2.gz GHCLKNAIIMFKDT-QFIPXVFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c1 ZINC000520146790 504419406 /nfs/dbraw/zinc/41/94/06/504419406.db2.gz GHCLKNAIIMFKDT-QFIPXVFZSA-N 2 1 365.521 3.419 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000520146790 504419410 /nfs/dbraw/zinc/41/94/10/504419410.db2.gz GHCLKNAIIMFKDT-QFIPXVFZSA-N 2 1 365.521 3.419 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cn4ccccc4n3)CC2)nc(C)[nH+]1 ZINC000548384171 504424468 /nfs/dbraw/zinc/42/44/68/504424468.db2.gz OCJXHOBUALHJDZ-HNNXBMFYSA-N 2 1 350.470 3.061 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339356 504471048 /nfs/dbraw/zinc/47/10/48/504471048.db2.gz QSUNDWAWWBQFAE-KNQAVFIVSA-N 2 1 371.569 3.176 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937452 504480108 /nfs/dbraw/zinc/48/01/08/504480108.db2.gz ASLGLAXJORVKID-DENIHFKCSA-N 3 1 370.541 3.158 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943893 504483526 /nfs/dbraw/zinc/48/35/26/504483526.db2.gz VZTKRYXDGIPELD-XLIONFOSSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943893 504483531 /nfs/dbraw/zinc/48/35/31/504483531.db2.gz VZTKRYXDGIPELD-XLIONFOSSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000531976429 504492793 /nfs/dbraw/zinc/49/27/93/504492793.db2.gz AVMKUXQSWGVPTI-GCJKJVERSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000531976429 504492799 /nfs/dbraw/zinc/49/27/99/504492799.db2.gz AVMKUXQSWGVPTI-GCJKJVERSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000531976428 504493710 /nfs/dbraw/zinc/49/37/10/504493710.db2.gz AVMKUXQSWGVPTI-AVRDEDQJSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000531976428 504493713 /nfs/dbraw/zinc/49/37/13/504493713.db2.gz AVMKUXQSWGVPTI-AVRDEDQJSA-N 2 1 350.506 3.159 20 0 FGADMP c1nc2ccc(C[NH2+]CCc3ccc(OCC[NH+]4CCCC4)cc3)cc2[nH]1 ZINC000539226231 504503151 /nfs/dbraw/zinc/50/31/51/504503151.db2.gz LXCFUDVUKOUJIX-UHFFFAOYSA-N 2 1 364.493 3.370 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000548633591 504503956 /nfs/dbraw/zinc/50/39/56/504503956.db2.gz XQBDFIRLKHLURR-WBVHZDCISA-N 2 1 353.601 3.158 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000542488502 504510710 /nfs/dbraw/zinc/51/07/10/504510710.db2.gz SMPVYYNBAMGZNG-HSZRJFAPSA-N 2 1 352.522 3.277 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529091 504528179 /nfs/dbraw/zinc/52/81/79/504528179.db2.gz NATMRQRHAWBQLM-CABCVRRESA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529091 504528185 /nfs/dbraw/zinc/52/81/85/504528185.db2.gz NATMRQRHAWBQLM-CABCVRRESA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000532108580 504536796 /nfs/dbraw/zinc/53/67/96/504536796.db2.gz ZLEUPEIOLBLYPO-QZTJIDSGSA-N 2 1 351.922 3.179 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CCCC2)CC1 ZINC000539495511 504590682 /nfs/dbraw/zinc/59/06/82/504590682.db2.gz VEQVDRMADNDTFK-GUDVDZBRSA-N 2 1 350.547 3.203 20 0 FGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)o1 ZINC000539516525 504596882 /nfs/dbraw/zinc/59/68/82/504596882.db2.gz BHEWYVIBFXKCLH-FRTACKCFSA-N 2 1 354.494 3.376 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000520892816 504604801 /nfs/dbraw/zinc/60/48/01/504604801.db2.gz OIDVQGCRFAFZQG-ZWKOTPCHSA-N 2 1 364.534 3.226 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061677 504640228 /nfs/dbraw/zinc/64/02/28/504640228.db2.gz LDEJJSCHSKODTE-FXAWDEMLSA-N 2 1 369.509 3.226 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061677 504640234 /nfs/dbraw/zinc/64/02/34/504640234.db2.gz LDEJJSCHSKODTE-FXAWDEMLSA-N 2 1 369.509 3.226 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000521061074 504641105 /nfs/dbraw/zinc/64/11/05/504641105.db2.gz XCOGTOYFFWSSCH-RTBURBONSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000521061074 504641110 /nfs/dbraw/zinc/64/11/10/504641110.db2.gz XCOGTOYFFWSSCH-RTBURBONSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061074 504641115 /nfs/dbraw/zinc/64/11/15/504641115.db2.gz XCOGTOYFFWSSCH-RTBURBONSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061074 504641120 /nfs/dbraw/zinc/64/11/20/504641120.db2.gz XCOGTOYFFWSSCH-RTBURBONSA-N 2 1 357.542 3.204 20 0 FGADMP CN(CC[N@H+](C)Cc1ccccc1OC1CCCC1)C1CC[NH+](C)CC1 ZINC000521116635 504654003 /nfs/dbraw/zinc/65/40/03/504654003.db2.gz SWKQJOVSFWTWEJ-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1OC1CCCC1)C1CC[NH+](C)CC1 ZINC000521116635 504654009 /nfs/dbraw/zinc/65/40/09/504654009.db2.gz SWKQJOVSFWTWEJ-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000521181968 504671618 /nfs/dbraw/zinc/67/16/18/504671618.db2.gz LQJJPVKIGBPWGP-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521764 504681103 /nfs/dbraw/zinc/68/11/03/504681103.db2.gz MMHWKWGIEKEXSS-GXFFZTMASA-N 2 1 350.816 3.096 20 0 FGADMP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543115647 504731027 /nfs/dbraw/zinc/73/10/27/504731027.db2.gz VDSXHTYBMIPNDU-AEFFLSMTSA-N 2 1 351.485 3.216 20 0 FGADMP Cc1cc(C)c(-c2csc(NC(=O)C[NH+]3CCC(C[NH3+])CC3)n2)cc1C ZINC000521436980 504737109 /nfs/dbraw/zinc/73/71/09/504737109.db2.gz BOOOLPNRLVBTEE-UHFFFAOYSA-N 2 1 372.538 3.345 20 0 FGADMP Cc1noc(C2CCC([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)n1 ZINC000562339460 504787970 /nfs/dbraw/zinc/78/79/70/504787970.db2.gz ZUSBCOUETIXFRX-UHFFFAOYSA-N 2 1 370.497 3.026 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000556099298 504795658 /nfs/dbraw/zinc/79/56/58/504795658.db2.gz DLSMPGWMUXHTIL-LJQANCHMSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000556099298 504795661 /nfs/dbraw/zinc/79/56/61/504795661.db2.gz DLSMPGWMUXHTIL-LJQANCHMSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(-c2cnn(C)c2)c1 ZINC000549404597 504811650 /nfs/dbraw/zinc/81/16/50/504811650.db2.gz SHYLCWUJSWEVTE-BAGYTPMASA-N 2 1 368.525 3.079 20 0 FGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000556236483 504826468 /nfs/dbraw/zinc/82/64/68/504826468.db2.gz BJOGPPVQQSQEDG-NRFANRHFSA-N 2 1 352.478 3.392 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000565274302 504839577 /nfs/dbraw/zinc/83/95/77/504839577.db2.gz AKHZZRHITHUXKW-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274302 504839578 /nfs/dbraw/zinc/83/95/78/504839578.db2.gz AKHZZRHITHUXKW-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274302 504839580 /nfs/dbraw/zinc/83/95/80/504839580.db2.gz AKHZZRHITHUXKW-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)C[NH+]1CCCC1 ZINC000549523567 504841657 /nfs/dbraw/zinc/84/16/57/504841657.db2.gz ULAMKGICCROHGU-WMZOPIPTSA-N 2 1 367.331 3.263 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000549543780 504846240 /nfs/dbraw/zinc/84/62/40/504846240.db2.gz YFTFKHKKLFLXKG-CYBMUJFWSA-N 2 1 368.312 3.394 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177554 504846345 /nfs/dbraw/zinc/84/63/45/504846345.db2.gz HARPZSBQVMBYIY-PZJWPPBQSA-N 2 1 369.484 3.067 20 0 FGADMP Cc1ccc([C@H](CNC(=O)Nc2ccn3ccnc3c2)N2CCCC2)o1 ZINC000565392979 504872916 /nfs/dbraw/zinc/87/29/16/504872916.db2.gz QVPGSMOPRORTCX-INIZCTEOSA-N 2 1 353.426 3.194 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000559636041 504901711 /nfs/dbraw/zinc/90/17/11/504901711.db2.gz FPBBRKWVYGZKLN-FPOVZHCZSA-N 2 1 366.509 3.257 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000559636041 504901714 /nfs/dbraw/zinc/90/17/14/504901714.db2.gz FPBBRKWVYGZKLN-FPOVZHCZSA-N 2 1 366.509 3.257 20 0 FGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000559742866 504921409 /nfs/dbraw/zinc/92/14/09/504921409.db2.gz GUAYBSZGBSJCPM-FUHIMQAGSA-N 2 1 362.514 3.403 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553525479 504940675 /nfs/dbraw/zinc/94/06/75/504940675.db2.gz BGTOQGNRGHJXFN-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525479 504940680 /nfs/dbraw/zinc/94/06/80/504940680.db2.gz BGTOQGNRGHJXFN-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525479 504940686 /nfs/dbraw/zinc/94/06/86/504940686.db2.gz BGTOQGNRGHJXFN-FPOVZHCZSA-N 2 1 369.553 3.231 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553599860 504958761 /nfs/dbraw/zinc/95/87/61/504958761.db2.gz LQTULTYPUXZCJA-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000550138770 504975332 /nfs/dbraw/zinc/97/53/32/504975332.db2.gz DWPNCWXFXDESHX-IBGZPJMESA-N 2 1 357.542 3.340 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cccc(I)c1 ZINC000560050408 504979347 /nfs/dbraw/zinc/97/93/47/504979347.db2.gz NEWDNAJFVCMOEO-UHFFFAOYSA-N 2 1 369.250 3.366 20 0 FGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)n1 ZINC000556858617 504998014 /nfs/dbraw/zinc/99/80/14/504998014.db2.gz NVNFLMGDZKTQHL-VSKRKVRLSA-N 2 1 352.526 3.494 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C)[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000556870583 505001050 /nfs/dbraw/zinc/00/10/50/505001050.db2.gz GRHGWPKYRNRHIM-ZLNRFVROSA-N 2 1 371.569 3.370 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@@H]21 ZINC000556885982 505006587 /nfs/dbraw/zinc/00/65/87/505006587.db2.gz ROEHMXZOUOCSRN-ULQDDVLXSA-N 2 1 360.889 3.395 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000565885901 505016788 /nfs/dbraw/zinc/01/67/88/505016788.db2.gz COTHLDAOPRDUSS-CZUORRHYSA-N 2 1 368.319 3.288 20 0 FGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000565885890 505017096 /nfs/dbraw/zinc/01/70/96/505017096.db2.gz COTHLDAOPRDUSS-BBRMVZONSA-N 2 1 368.319 3.288 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000556936343 505023847 /nfs/dbraw/zinc/02/38/47/505023847.db2.gz MXLUOAKSXIILRW-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP COc1ccc(C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H](C)C2CC2)cc1 ZINC000563154674 505061644 /nfs/dbraw/zinc/06/16/44/505061644.db2.gz TVMZBPMHQJMNTA-RTFZILSDSA-N 2 1 368.521 3.227 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000550621735 505075207 /nfs/dbraw/zinc/07/52/07/505075207.db2.gz FKJDPWRONCTAAP-SFTDATJTSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000550621735 505075208 /nfs/dbraw/zinc/07/52/08/505075208.db2.gz FKJDPWRONCTAAP-SFTDATJTSA-N 2 1 372.534 3.156 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550681830 505084803 /nfs/dbraw/zinc/08/48/03/505084803.db2.gz ULMGPVVLEFYAKD-KCZVDYSFSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550681830 505084806 /nfs/dbraw/zinc/08/48/06/505084806.db2.gz ULMGPVVLEFYAKD-KCZVDYSFSA-N 2 1 365.606 3.461 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](CO)Cc2ccco2)CC1 ZINC000560514928 505110597 /nfs/dbraw/zinc/11/05/97/505110597.db2.gz KFGPILPDKAWZOU-QNGMFEMESA-N 2 1 356.510 3.463 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216647 505113994 /nfs/dbraw/zinc/11/39/94/505113994.db2.gz WPHTUSCPQVCRSO-UXHICEINSA-N 2 1 357.542 3.276 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216647 505113999 /nfs/dbraw/zinc/11/39/99/505113999.db2.gz WPHTUSCPQVCRSO-UXHICEINSA-N 2 1 357.542 3.276 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524569 505114453 /nfs/dbraw/zinc/11/44/53/505114453.db2.gz GKBMMFPHZUOJRU-GGPKGHCWSA-N 2 1 371.529 3.055 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H]1c1ccccc1 ZINC000550995117 505139062 /nfs/dbraw/zinc/13/90/62/505139062.db2.gz BVHGCDHTCSCRKO-LEWJYISDSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@@H]1c1ccccc1 ZINC000550995117 505139068 /nfs/dbraw/zinc/13/90/68/505139068.db2.gz BVHGCDHTCSCRKO-LEWJYISDSA-N 2 1 367.493 3.309 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458591 505140663 /nfs/dbraw/zinc/14/06/63/505140663.db2.gz YIWTYDHAFFIMHE-AZUAARDMSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458591 505140668 /nfs/dbraw/zinc/14/06/68/505140668.db2.gz YIWTYDHAFFIMHE-AZUAARDMSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563439230 505141447 /nfs/dbraw/zinc/14/14/47/505141447.db2.gz FZGIONKCIXALAK-IBGZPJMESA-N 2 1 358.574 3.181 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(F)c1 ZINC000551064541 505151227 /nfs/dbraw/zinc/15/12/27/505151227.db2.gz AVKPJDWIVORVMF-UHFFFAOYSA-N 2 1 355.457 3.409 20 0 FGADMP CCN(CC)c1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000557534627 505160190 /nfs/dbraw/zinc/16/01/90/505160190.db2.gz MRSCJTJAWYDWNS-HXUWFJFHSA-N 2 1 366.509 3.066 20 0 FGADMP CC(=O)c1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000566424090 505171659 /nfs/dbraw/zinc/17/16/59/505171659.db2.gz IMEIZDXBESGYPS-UHFFFAOYSA-N 2 1 353.466 3.365 20 0 FGADMP CC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)on1 ZINC000566424090 505171665 /nfs/dbraw/zinc/17/16/65/505171665.db2.gz IMEIZDXBESGYPS-UHFFFAOYSA-N 2 1 353.466 3.365 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577164 505173087 /nfs/dbraw/zinc/17/30/87/505173087.db2.gz RWJIDSAPMPUKGL-VQTJNVASSA-N 2 1 369.509 3.301 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccc(Cl)cc1 ZINC000566438726 505176476 /nfs/dbraw/zinc/17/64/76/505176476.db2.gz NHKVJBZBYHSEIM-KRWDZBQOSA-N 2 1 351.922 3.322 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(C)C)CC3)CC2)CC1 ZINC000557618686 505183840 /nfs/dbraw/zinc/18/38/40/505183840.db2.gz QWWQVOJVSNSVNL-IBGZPJMESA-N 2 1 363.590 3.467 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000563618129 505194300 /nfs/dbraw/zinc/19/43/00/505194300.db2.gz NUHVYGDGHTWLFJ-DYXWJJEUSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000563618129 505194301 /nfs/dbraw/zinc/19/43/01/505194301.db2.gz NUHVYGDGHTWLFJ-DYXWJJEUSA-N 2 1 374.550 3.298 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000554841381 505277526 /nfs/dbraw/zinc/27/75/26/505277526.db2.gz FGBRLDDBOXLYGA-UHFFFAOYSA-N 2 1 369.509 3.037 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000554841381 505277531 /nfs/dbraw/zinc/27/75/31/505277531.db2.gz FGBRLDDBOXLYGA-UHFFFAOYSA-N 2 1 369.509 3.037 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021111 505287706 /nfs/dbraw/zinc/28/77/06/505287706.db2.gz CZZWEMWNVARLGG-CSODHUTKSA-N 2 1 364.493 3.049 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803022 505312369 /nfs/dbraw/zinc/31/23/69/505312369.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H](N(C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803022 505312372 /nfs/dbraw/zinc/31/23/72/505312372.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H](N(C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803022 505312376 /nfs/dbraw/zinc/31/23/76/505312376.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803022 505312380 /nfs/dbraw/zinc/31/23/80/505312380.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803022 505312384 /nfs/dbraw/zinc/31/23/84/505312384.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803022 505312386 /nfs/dbraw/zinc/31/23/86/505312386.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803022 505312391 /nfs/dbraw/zinc/31/23/91/505312391.db2.gz DEPXWZGIGYNDAC-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cnn1C(C)(C)C ZINC000558165290 505325161 /nfs/dbraw/zinc/32/51/61/505325161.db2.gz JOJFIYGWCWGYML-OAHLLOKOSA-N 2 1 359.518 3.133 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000551985347 505362908 /nfs/dbraw/zinc/36/29/08/505362908.db2.gz WOPKXJCAXBWZHD-BEFAXECRSA-N 2 1 365.905 3.306 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000551985347 505362909 /nfs/dbraw/zinc/36/29/09/505362909.db2.gz WOPKXJCAXBWZHD-BEFAXECRSA-N 2 1 365.905 3.306 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@@H]2CCOC2)c1 ZINC000552046301 505381203 /nfs/dbraw/zinc/38/12/03/505381203.db2.gz CNHQZIWMXPLLQJ-GFOJFJKKSA-N 2 1 358.526 3.373 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@H]2CCOC2)c1 ZINC000552046303 505381462 /nfs/dbraw/zinc/38/14/62/505381462.db2.gz CNHQZIWMXPLLQJ-OYNPSCLESA-N 2 1 358.526 3.373 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@H]21 ZINC000552063729 505387221 /nfs/dbraw/zinc/38/72/21/505387221.db2.gz KMYHRXXUTPZXLN-NUUXYWTLSA-N 2 1 359.480 3.254 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@H]21 ZINC000552063729 505387223 /nfs/dbraw/zinc/38/72/23/505387223.db2.gz KMYHRXXUTPZXLN-NUUXYWTLSA-N 2 1 359.480 3.254 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[C@H]21 ZINC000552063729 505387224 /nfs/dbraw/zinc/38/72/24/505387224.db2.gz KMYHRXXUTPZXLN-NUUXYWTLSA-N 2 1 359.480 3.254 20 0 FGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000558575682 505428230 /nfs/dbraw/zinc/42/82/30/505428230.db2.gz UZRPGNGOWWZFAK-FYWRMAATSA-N 2 1 354.441 3.128 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000555539556 505451381 /nfs/dbraw/zinc/45/13/81/505451381.db2.gz MAAJJHSRJORTFA-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555539556 505451385 /nfs/dbraw/zinc/45/13/85/505451385.db2.gz MAAJJHSRJORTFA-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555539556 505451389 /nfs/dbraw/zinc/45/13/89/505451389.db2.gz MAAJJHSRJORTFA-SBHAEUEKSA-N 2 1 357.542 3.420 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)CCCC2)CC1 ZINC000567451707 505467498 /nfs/dbraw/zinc/46/74/98/505467498.db2.gz IIAHHNHNMYQUMP-RBUKOAKNSA-N 2 1 374.573 3.460 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584929 505506114 /nfs/dbraw/zinc/50/61/14/505506114.db2.gz GERIIBXGBJUOIF-TXTKFYIRSA-N 2 1 369.553 3.031 20 0 FGADMP CC(C)(C(=O)NCCC[N@H+]1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000564794865 505521676 /nfs/dbraw/zinc/52/16/76/505521676.db2.gz BACAWLZDVVSPMA-OAQYLSRUSA-N 2 1 365.521 3.277 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802290 505524711 /nfs/dbraw/zinc/52/47/11/505524711.db2.gz ZJMVWSORWAMVKH-XMSQKQJNSA-N 2 1 369.553 3.377 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000567693553 505538599 /nfs/dbraw/zinc/53/85/99/505538599.db2.gz WONVHDXRPYOBGN-KRWDZBQOSA-N 2 1 366.571 3.079 20 0 FGADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000564969109 505564461 /nfs/dbraw/zinc/56/44/61/505564461.db2.gz RAUGPNPAQGRCCF-SFHVURJKSA-N 2 1 369.534 3.125 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567890726 505570278 /nfs/dbraw/zinc/57/02/78/505570278.db2.gz AUVDIRHZMFEHKG-ZQIUZPCESA-N 2 1 370.324 3.011 20 0 FGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596649167 506509578 /nfs/dbraw/zinc/50/95/78/506509578.db2.gz CCZMBULWJIPETG-TVQRCGJNSA-N 2 1 364.658 3.162 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC(C[NH3+])CC2)C1 ZINC000583133105 506608926 /nfs/dbraw/zinc/60/89/26/506608926.db2.gz UJXURSMGLUWTPB-HDICACEKSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388588 506815410 /nfs/dbraw/zinc/81/54/10/506815410.db2.gz JCZDZUASAJMANU-WBVHZDCISA-N 2 1 371.447 3.358 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388588 506815419 /nfs/dbraw/zinc/81/54/19/506815419.db2.gz JCZDZUASAJMANU-WBVHZDCISA-N 2 1 371.447 3.358 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000583508318 506817085 /nfs/dbraw/zinc/81/70/85/506817085.db2.gz HMMPYGKDQJZCLU-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(I)s1 ZINC000590600597 506876130 /nfs/dbraw/zinc/87/61/30/506876130.db2.gz JRLQBXGAYOYPJG-UHFFFAOYSA-N 2 1 352.285 3.030 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)CC1 ZINC000590640497 506893486 /nfs/dbraw/zinc/89/34/86/506893486.db2.gz IQVLNSVPIHYFIK-KRWDZBQOSA-N 2 1 362.905 3.082 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc(F)c2F)c2cccs2)CC1 ZINC000594049886 506907786 /nfs/dbraw/zinc/90/77/86/506907786.db2.gz QGETWZKRLGWVHI-INIZCTEOSA-N 2 1 351.466 3.105 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)N1CCC(C)CC1 ZINC000613260324 506998332 /nfs/dbraw/zinc/99/83/32/506998332.db2.gz PVKLZAJIERPUOW-QFIPXVFZSA-N 2 1 361.574 3.473 20 0 FGADMP CCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)CC1CC1 ZINC000613343011 507041944 /nfs/dbraw/zinc/04/19/44/507041944.db2.gz UHBDFDROOHQHIB-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)CC1CC1 ZINC000613343011 507041947 /nfs/dbraw/zinc/04/19/47/507041947.db2.gz UHBDFDROOHQHIB-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)CC1CC1 ZINC000613343011 507041957 /nfs/dbraw/zinc/04/19/57/507041957.db2.gz UHBDFDROOHQHIB-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000605203575 507109408 /nfs/dbraw/zinc/10/94/08/507109408.db2.gz BMXZXGAXVWZBRR-GOSISDBHSA-N 2 1 374.529 3.077 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)Cc1ccccc1 ZINC000600862682 507150409 /nfs/dbraw/zinc/15/04/09/507150409.db2.gz CGGWLDIKNBMYDS-RTWAWAEBSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250523 507162271 /nfs/dbraw/zinc/16/22/71/507162271.db2.gz ZDCIBPHLPZKNKN-SJLPKXTDSA-N 2 1 367.484 3.449 20 0 FGADMP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584161085 507187531 /nfs/dbraw/zinc/18/75/31/507187531.db2.gz UZBWISOXEATHFK-IBGZPJMESA-N 2 1 364.493 3.118 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000591405046 507238183 /nfs/dbraw/zinc/23/81/83/507238183.db2.gz DBPKMKCVBDFEIU-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000591438017 507248971 /nfs/dbraw/zinc/24/89/71/507248971.db2.gz PEEOOHSQGLYUNB-XLIONFOSSA-N 2 1 373.541 3.010 20 0 FGADMP C[NH+]1CCC(CCNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000591595339 507305540 /nfs/dbraw/zinc/30/55/40/507305540.db2.gz AYJZDTGFQTXLAB-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000601290191 507324780 /nfs/dbraw/zinc/32/47/80/507324780.db2.gz IBQMKJVKWXYYAM-LEWJYISDSA-N 2 1 372.557 3.306 20 0 FGADMP C[N@@H+](CCNC(=O)NCCCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000601296123 507327392 /nfs/dbraw/zinc/32/73/92/507327392.db2.gz DFPQCBKNVAAJFW-UHFFFAOYSA-N 2 1 352.567 3.206 20 0 FGADMP C[C@@H](CSCCF)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000595007476 507352006 /nfs/dbraw/zinc/35/20/06/507352006.db2.gz OECPRKLYLZSMFM-PKOBYXMFSA-N 2 1 353.551 3.046 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595016809 507355238 /nfs/dbraw/zinc/35/52/38/507355238.db2.gz XNOAJELIAMWIKK-MLGOLLRUSA-N 2 1 370.278 3.210 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610798007 507393585 /nfs/dbraw/zinc/39/35/85/507393585.db2.gz HOWSRCZFQAFCDO-HNNXBMFYSA-N 2 1 358.267 3.426 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595145011 507408156 /nfs/dbraw/zinc/40/81/56/507408156.db2.gz YSASJRHVWNHLMF-QZTJIDSGSA-N 2 1 353.514 3.089 20 0 FGADMP O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000614226683 507413489 /nfs/dbraw/zinc/41/34/89/507413489.db2.gz UVYILILVEWWDEH-GOSISDBHSA-N 2 1 370.541 3.238 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000606677200 507478037 /nfs/dbraw/zinc/47/80/37/507478037.db2.gz MWVWBJOKZYCYCT-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000584853583 507541431 /nfs/dbraw/zinc/54/14/31/507541431.db2.gz IGUPUYXXLYYJNY-AEFFLSMTSA-N 2 1 373.522 3.287 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000584853583 507541440 /nfs/dbraw/zinc/54/14/40/507541440.db2.gz IGUPUYXXLYYJNY-AEFFLSMTSA-N 2 1 373.522 3.287 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n1C ZINC000602013178 507553445 /nfs/dbraw/zinc/55/34/45/507553445.db2.gz WTONCMHRIAXZAP-KBXCAEBGSA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1C ZINC000602013178 507553454 /nfs/dbraw/zinc/55/34/54/507553454.db2.gz WTONCMHRIAXZAP-KBXCAEBGSA-N 2 1 361.511 3.046 20 0 FGADMP O=C(CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1)Nc1ccccc1F ZINC000585811900 507643546 /nfs/dbraw/zinc/64/35/46/507643546.db2.gz JYTXYNDGHJORTJ-UHFFFAOYSA-N 2 1 355.457 3.192 20 0 FGADMP O=C(CC[NH2+]CCC[N@H+]1CCc2ccccc2C1)Nc1ccccc1F ZINC000585811900 507643555 /nfs/dbraw/zinc/64/35/55/507643555.db2.gz JYTXYNDGHJORTJ-UHFFFAOYSA-N 2 1 355.457 3.192 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433648 507656094 /nfs/dbraw/zinc/65/60/94/507656094.db2.gz MZGAJXBIWFOHDG-JKSUJKDBSA-N 2 1 350.890 3.338 20 0 FGADMP Ic1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471383 507670129 /nfs/dbraw/zinc/67/01/29/507670129.db2.gz ZQHAKLHQCHZKBX-UHFFFAOYSA-N 2 1 356.251 3.008 20 0 FGADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481407 507673833 /nfs/dbraw/zinc/67/38/33/507673833.db2.gz IOTUJZQKMSCGJM-UYAOXDASSA-N 2 1 364.578 3.203 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481439 507674610 /nfs/dbraw/zinc/67/46/10/507674610.db2.gz JQFRMGHZJMLXTM-UYAOXDASSA-N 2 1 364.578 3.203 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000607391348 507719290 /nfs/dbraw/zinc/71/92/90/507719290.db2.gz ZTQZUNJRFXKRRP-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000607391348 507719296 /nfs/dbraw/zinc/71/92/96/507719296.db2.gz ZTQZUNJRFXKRRP-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607391348 507719299 /nfs/dbraw/zinc/71/92/99/507719299.db2.gz ZTQZUNJRFXKRRP-KBPBESRZSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H]1CN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000615193021 507774272 /nfs/dbraw/zinc/77/42/72/507774272.db2.gz CYLQUAJFAWXLBU-DENIHFKCSA-N 2 1 369.553 3.199 20 0 FGADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240033 517648455 /nfs/dbraw/zinc/64/84/55/517648455.db2.gz JWNQGXRMKAYVNS-LJQANCHMSA-N 2 1 372.538 3.477 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000669117847 568042753 /nfs/dbraw/zinc/04/27/53/568042753.db2.gz ULORBMAMQCJHLM-YLJYHZDGSA-N 2 1 358.530 3.002 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033775 568314197 /nfs/dbraw/zinc/31/41/97/568314197.db2.gz LYYWVVMTZRAWLX-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000824532599 609350556 /nfs/dbraw/zinc/35/05/56/609350556.db2.gz VQRPMYHSEBKWRO-SQWLQELKSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784114 700504923 /nfs/dbraw/zinc/50/49/23/700504923.db2.gz LLYPHIOCFLNXQC-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000185303009 712691342 /nfs/dbraw/zinc/69/13/42/712691342.db2.gz BDASFFCYAZLKHY-MSOLQXFVSA-N 2 1 367.877 3.106 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195208031 713549464 /nfs/dbraw/zinc/54/94/64/713549464.db2.gz BIMHEYQEHRJXNH-IBGZPJMESA-N 2 1 350.507 3.208 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000245588076 713607865 /nfs/dbraw/zinc/60/78/65/713607865.db2.gz NOTJBOFJVSZYIL-LPHOPBHVSA-N 2 1 358.555 3.481 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248488959 713651670 /nfs/dbraw/zinc/65/16/70/713651670.db2.gz MSBHZKVDFVSIBI-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)C3(CCC3)C2)CC1 ZINC000374551202 713930481 /nfs/dbraw/zinc/93/04/81/713930481.db2.gz SEZZRCZWPKNBCV-KRWDZBQOSA-N 2 1 361.496 3.457 20 0 FGADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372962 714457616 /nfs/dbraw/zinc/45/76/16/714457616.db2.gz MQKJVSBCLXZURR-YXJHDRRASA-N 2 1 355.448 3.257 20 0 FGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372962 714457617 /nfs/dbraw/zinc/45/76/17/714457617.db2.gz MQKJVSBCLXZURR-YXJHDRRASA-N 2 1 355.448 3.257 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824545 714498730 /nfs/dbraw/zinc/49/87/30/714498730.db2.gz MIOXQYILOUEKCK-MJGOQNOKSA-N 2 1 362.514 3.292 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824545 714498733 /nfs/dbraw/zinc/49/87/33/714498733.db2.gz MIOXQYILOUEKCK-MJGOQNOKSA-N 2 1 362.514 3.292 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995443 714619424 /nfs/dbraw/zinc/61/94/24/714619424.db2.gz ROFCSOKHGXOAIT-RHSMWYFYSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995443 714619428 /nfs/dbraw/zinc/61/94/28/714619428.db2.gz ROFCSOKHGXOAIT-RHSMWYFYSA-N 2 1 351.922 3.179 20 0 FGADMP Brc1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H]2CCCO2)cc1 ZINC000643521276 718037449 /nfs/dbraw/zinc/03/74/49/718037449.db2.gz HWUHSLPEYGIMIP-ZACQAIPSSA-N 2 1 353.304 3.401 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507283 715350579 /nfs/dbraw/zinc/35/05/79/715350579.db2.gz BNUBXQRXOWCFTP-HOCLYGCPSA-N 2 1 369.347 3.063 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(F)c3Cl)cc2)C1 ZINC000623563518 715362255 /nfs/dbraw/zinc/36/22/55/715362255.db2.gz APBCXMNUJAXQQB-HNNXBMFYSA-N 2 1 366.839 3.475 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(F)c3Cl)cc2)C1 ZINC000623563518 715362258 /nfs/dbraw/zinc/36/22/58/715362258.db2.gz APBCXMNUJAXQQB-HNNXBMFYSA-N 2 1 366.839 3.475 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cnc12 ZINC000623657147 715381206 /nfs/dbraw/zinc/38/12/06/715381206.db2.gz KMTFRQCTBJWKDH-AWEZNQCLSA-N 2 1 365.319 3.227 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)cnc12 ZINC000623657147 715381210 /nfs/dbraw/zinc/38/12/10/715381210.db2.gz KMTFRQCTBJWKDH-AWEZNQCLSA-N 2 1 365.319 3.227 20 0 FGADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000623871319 715419845 /nfs/dbraw/zinc/41/98/45/715419845.db2.gz BBGJZKPSWFBNRN-CQSZACIVSA-N 2 1 355.320 3.255 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOC3CCOCC3)C2)s1 ZINC000625402105 715723183 /nfs/dbraw/zinc/72/31/83/715723183.db2.gz DSDPZKHGIPZSNC-QGZVFWFLSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOC3CCOCC3)C2)s1 ZINC000625402105 715723186 /nfs/dbraw/zinc/72/31/86/715723186.db2.gz DSDPZKHGIPZSNC-QGZVFWFLSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOC3CCOCC3)C2)s1 ZINC000625402105 715723192 /nfs/dbraw/zinc/72/31/92/715723192.db2.gz DSDPZKHGIPZSNC-QGZVFWFLSA-N 2 1 352.544 3.006 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416033 /nfs/dbraw/zinc/41/60/33/724416033.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416036 /nfs/dbraw/zinc/41/60/36/724416036.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477315 724416037 /nfs/dbraw/zinc/41/60/37/724416037.db2.gz AREXPXWVGPWAAJ-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP [NH3+]CCCOCC[NH2+][C@@H](c1ccccc1)c1ccccc1Br ZINC000629535404 716304682 /nfs/dbraw/zinc/30/46/82/716304682.db2.gz CIXOXYTUSSUQOC-SFHVURJKSA-N 2 1 363.299 3.494 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634953193 717134944 /nfs/dbraw/zinc/13/49/44/717134944.db2.gz UQDLLCVGEYCSNH-XLIONFOSSA-N 2 1 364.555 3.118 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177617 717416740 /nfs/dbraw/zinc/41/67/40/717416740.db2.gz CYYLKDIIJMOWFI-FGTMMUONSA-N 2 1 356.432 3.475 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177617 717416741 /nfs/dbraw/zinc/41/67/41/717416741.db2.gz CYYLKDIIJMOWFI-FGTMMUONSA-N 2 1 356.432 3.475 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178075 717417026 /nfs/dbraw/zinc/41/70/26/717417026.db2.gz FAKHYBNLVXRJKH-FGTMMUONSA-N 2 1 356.432 3.475 20 0 FGADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638369282 717440264 /nfs/dbraw/zinc/44/02/64/717440264.db2.gz QOZPEIWMPCQTAJ-QZTJIDSGSA-N 2 1 361.917 3.095 20 0 FGADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638369282 717440268 /nfs/dbraw/zinc/44/02/68/717440268.db2.gz QOZPEIWMPCQTAJ-QZTJIDSGSA-N 2 1 361.917 3.095 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(COC)CCC3)CC2)cs1 ZINC000638623122 717470710 /nfs/dbraw/zinc/47/07/10/717470710.db2.gz JCOOLFQMLZCTGV-UHFFFAOYSA-N 2 1 351.560 3.324 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000639292935 717541663 /nfs/dbraw/zinc/54/16/63/717541663.db2.gz CDKJOHNGGBPKDG-KRWDZBQOSA-N 2 1 350.478 3.253 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000645808379 718243009 /nfs/dbraw/zinc/24/30/09/718243009.db2.gz MNVPEIFVECKNLA-RDJZCZTQSA-N 2 1 351.560 3.101 20 0 FGADMP C[N@@H+](CCC[C@@H]1CCOC1)[C@H]1CCC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645839682 718245528 /nfs/dbraw/zinc/24/55/28/718245528.db2.gz XSLYWQBDBJCGRR-NJYVYQBISA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@H]1CCC[N@H+](CCC[C@@H]2CCOC2)CC1 ZINC000645839682 718245529 /nfs/dbraw/zinc/24/55/29/718245529.db2.gz XSLYWQBDBJCGRR-NJYVYQBISA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)CC1 ZINC000645839682 718245530 /nfs/dbraw/zinc/24/55/30/718245530.db2.gz XSLYWQBDBJCGRR-NJYVYQBISA-N 2 1 352.563 3.406 20 0 FGADMP COc1ccc(CC[N@H+](Cc2ccsc2)C[C@H]2CC[NH2+]C2)cc1OC ZINC000647890003 718383475 /nfs/dbraw/zinc/38/34/75/718383475.db2.gz FHOFVNAAOYZVMB-KRWDZBQOSA-N 2 1 360.523 3.420 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976582 718391259 /nfs/dbraw/zinc/39/12/59/718391259.db2.gz QKBZMBZDXCCNJF-BBWFWOEESA-N 2 1 361.555 3.447 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CC12CCOCC2 ZINC000647986153 718392723 /nfs/dbraw/zinc/39/27/23/718392723.db2.gz XJRHCGKIHVRNGB-QGZVFWFLSA-N 2 1 356.432 3.325 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@@H](CC)C3)CC2)cs1 ZINC000648454629 718428432 /nfs/dbraw/zinc/42/84/32/718428432.db2.gz MXWWCXSKFSTIKI-AEFFLSMTSA-N 2 1 351.560 3.465 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705468 718717119 /nfs/dbraw/zinc/71/71/19/718717119.db2.gz ICAHVLJCADIVBY-DJIMGWMZSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708173 718717467 /nfs/dbraw/zinc/71/74/67/718717467.db2.gz UVWRAHKPDASCDP-CKEIUWERSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000650707681 718717767 /nfs/dbraw/zinc/71/77/67/718717767.db2.gz KSUCRHQELMKLDU-OUCADQQQSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723391 718720599 /nfs/dbraw/zinc/72/05/99/718720599.db2.gz NFNCZGRVGRYQNC-NXHRZFHOSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2sccc2Br)C1 ZINC000650723788 718721338 /nfs/dbraw/zinc/72/13/38/718721338.db2.gz UCRIPDFREITPNK-MRVWCRGKSA-N 2 1 359.333 3.371 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219722 718783840 /nfs/dbraw/zinc/78/38/40/718783840.db2.gz FWIVCQFAIYQMDD-IEBWSBKVSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219722 718783844 /nfs/dbraw/zinc/78/38/44/718783844.db2.gz FWIVCQFAIYQMDD-IEBWSBKVSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCCCC1 ZINC000651219722 718783847 /nfs/dbraw/zinc/78/38/47/718783847.db2.gz FWIVCQFAIYQMDD-IEBWSBKVSA-N 2 1 352.567 3.155 20 0 FGADMP C[N@@H+](Cc1ccc(N2[C@H](C(F)(F)F)CCC23CC[NH2+]CC3)nc1)C1CC1 ZINC001164413461 718881411 /nfs/dbraw/zinc/88/14/11/718881411.db2.gz ISHBAYVVWZHPKX-INIZCTEOSA-N 2 1 368.447 3.329 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348705 718935148 /nfs/dbraw/zinc/93/51/48/718935148.db2.gz NXCDHTVYXOISMI-XYPHTWIQSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652354444 718936420 /nfs/dbraw/zinc/93/64/20/718936420.db2.gz YRIMNLNEYHOFDN-XJKSGUPXSA-N 2 1 368.319 3.227 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361663 718936820 /nfs/dbraw/zinc/93/68/20/718936820.db2.gz LXPKQQBRJXTVMN-NJAFHUGGSA-N 2 1 365.905 3.029 20 0 FGADMP Cc1cc(Br)cc(C)c1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703921 719327636 /nfs/dbraw/zinc/32/76/36/719327636.db2.gz NJBXYDWMOIMEDJ-KRWDZBQOSA-N 2 1 367.331 3.409 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000656709134 719447858 /nfs/dbraw/zinc/44/78/58/719447858.db2.gz NFXUNTMIQAMKCK-KRWDZBQOSA-N 2 1 369.347 3.063 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc3ccncc3s2)c2cccs2)CC1 ZINC000657286586 719617958 /nfs/dbraw/zinc/61/79/58/719617958.db2.gz PXJODFWQCRPTQK-KRWDZBQOSA-N 2 1 372.563 3.436 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657868377 719722945 /nfs/dbraw/zinc/72/29/45/719722945.db2.gz OILDBXLQPDZDBI-GOSISDBHSA-N 2 1 352.544 3.019 20 0 FGADMP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659946032 719961789 /nfs/dbraw/zinc/96/17/89/719961789.db2.gz YUNFUIZFOXQARZ-VQIMIIECSA-N 2 1 359.539 3.440 20 0 FGADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320868 720415052 /nfs/dbraw/zinc/41/50/52/720415052.db2.gz XFSJWFZYGXFMHF-YOEHRIQHSA-N 2 1 356.432 3.479 20 0 FGADMP C[NH2+][C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1cccc(Cl)c1Cl ZINC000662384165 720423800 /nfs/dbraw/zinc/42/38/00/720423800.db2.gz LCMXNEZUPGDIMN-OAHLLOKOSA-N 2 1 358.313 3.245 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc(Cl)c1Cl ZINC000662516424 720437289 /nfs/dbraw/zinc/43/72/89/720437289.db2.gz BJNQUQWBSIWPMS-CXAGYDPISA-N 2 1 370.324 3.102 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662532714 720439230 /nfs/dbraw/zinc/43/92/30/720439230.db2.gz DWSLXZYCAWUTKN-WBMJQRKESA-N 2 1 358.313 3.197 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1cccc2c1C[NH2+]C2 ZINC000662700016 720453429 /nfs/dbraw/zinc/45/34/29/720453429.db2.gz FUGNYAJDDNRNSC-UHFFFAOYSA-N 2 1 353.491 3.091 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cccc(Cl)c1Cl ZINC000662741998 720455941 /nfs/dbraw/zinc/45/59/41/720455941.db2.gz KSIUAQXZMYJIMO-BHHCIPQWSA-N 2 1 370.324 3.385 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1Cl ZINC000662741998 720455943 /nfs/dbraw/zinc/45/59/43/720455943.db2.gz KSIUAQXZMYJIMO-BHHCIPQWSA-N 2 1 370.324 3.385 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474775 720518159 /nfs/dbraw/zinc/51/81/59/720518159.db2.gz QKHJTXVIGGEBIP-PBHICJAKSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474775 720518162 /nfs/dbraw/zinc/51/81/62/720518162.db2.gz QKHJTXVIGGEBIP-PBHICJAKSA-N 2 1 359.436 3.327 20 0 FGADMP CC(C)[C@H]([NH3+])CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000663499708 720519899 /nfs/dbraw/zinc/51/98/99/720519899.db2.gz LEATZRYDZAASAJ-CQSZACIVSA-N 2 1 351.292 3.302 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164834246 720531873 /nfs/dbraw/zinc/53/18/73/720531873.db2.gz CZYTXLAYDMPJQU-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164834246 720531886 /nfs/dbraw/zinc/53/18/86/720531886.db2.gz CZYTXLAYDMPJQU-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)c(Cl)c1 ZINC000665291956 720750929 /nfs/dbraw/zinc/75/09/29/720750929.db2.gz OVYDYIPWLMHUJI-MRXNPFEDSA-N 2 1 355.269 3.435 20 0 FGADMP CSc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000666556726 720947417 /nfs/dbraw/zinc/94/74/17/720947417.db2.gz JLNCALAXYZHCEA-AWEZNQCLSA-N 2 1 352.548 3.110 20 0 FGADMP CSc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000666556726 720947419 /nfs/dbraw/zinc/94/74/19/720947419.db2.gz JLNCALAXYZHCEA-AWEZNQCLSA-N 2 1 352.548 3.110 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762008 721166478 /nfs/dbraw/zinc/16/64/78/721166478.db2.gz BRGIRPAXHHKHFU-VQTJNVASSA-N 2 1 361.493 3.235 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762008 721166486 /nfs/dbraw/zinc/16/64/86/721166486.db2.gz BRGIRPAXHHKHFU-VQTJNVASSA-N 2 1 361.493 3.235 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164909324 721538816 /nfs/dbraw/zinc/53/88/16/721538816.db2.gz RKLJYEKSEZXTBY-YLJYHZDGSA-N 2 1 371.456 3.350 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164909324 721538819 /nfs/dbraw/zinc/53/88/19/721538819.db2.gz RKLJYEKSEZXTBY-YLJYHZDGSA-N 2 1 371.456 3.350 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000674047992 721681161 /nfs/dbraw/zinc/68/11/61/721681161.db2.gz VUETZEACXXSLGT-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000674047992 721681162 /nfs/dbraw/zinc/68/11/62/721681162.db2.gz VUETZEACXXSLGT-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047992 721681163 /nfs/dbraw/zinc/68/11/63/721681163.db2.gz VUETZEACXXSLGT-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047992 721681164 /nfs/dbraw/zinc/68/11/64/721681164.db2.gz VUETZEACXXSLGT-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c(N)c1 ZINC001165028913 721820401 /nfs/dbraw/zinc/82/04/01/721820401.db2.gz YCILGGKRZUZGAR-QRFRQXIXSA-N 2 1 351.498 3.104 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000677754437 721914290 /nfs/dbraw/zinc/91/42/90/721914290.db2.gz WQFGCZQVWWSVQL-UKRRQHHQSA-N 2 1 350.557 3.152 20 0 FGADMP COc1c(Br)cccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000677820856 721917657 /nfs/dbraw/zinc/91/76/57/721917657.db2.gz ZOFSPOCRHUYWOT-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP COc1c(Br)cccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000677820856 721917658 /nfs/dbraw/zinc/91/76/58/721917658.db2.gz ZOFSPOCRHUYWOT-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001165044296 721920121 /nfs/dbraw/zinc/92/01/21/721920121.db2.gz UDFCIQBXLJKZCW-IBGZPJMESA-N 2 1 366.509 3.136 20 0 FGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600344 721966744 /nfs/dbraw/zinc/96/67/44/721966744.db2.gz MAKCRCIGWQHKJQ-BHYGNILZSA-N 2 1 356.432 3.073 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(Cl)s1 ZINC000680894996 722167787 /nfs/dbraw/zinc/16/77/87/722167787.db2.gz CZZNVPVSAFROJG-UHFFFAOYSA-N 2 1 356.967 3.429 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000708529229 722412875 /nfs/dbraw/zinc/41/28/75/722412875.db2.gz JPFFHGDJQJFVLQ-BZZMCLGOSA-N 2 1 356.432 3.454 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458754 722413168 /nfs/dbraw/zinc/41/31/68/722413168.db2.gz OFBJUYLKQVHILF-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734487860 722507805 /nfs/dbraw/zinc/50/78/05/722507805.db2.gz XNVXOXMVWGVRBE-YJBOKZPZSA-N 2 1 355.448 3.478 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487860 722507806 /nfs/dbraw/zinc/50/78/06/722507806.db2.gz XNVXOXMVWGVRBE-YJBOKZPZSA-N 2 1 355.448 3.478 20 0 FGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000741389884 722545358 /nfs/dbraw/zinc/54/53/58/722545358.db2.gz XDJMJMJWDBWLQC-LPHOPBHVSA-N 2 1 366.933 3.060 20 0 FGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000741389884 722545359 /nfs/dbraw/zinc/54/53/59/722545359.db2.gz XDJMJMJWDBWLQC-LPHOPBHVSA-N 2 1 366.933 3.060 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000747957642 722669392 /nfs/dbraw/zinc/66/93/92/722669392.db2.gz VGWPHJBLHZCTKO-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000760905356 723103350 /nfs/dbraw/zinc/10/33/50/723103350.db2.gz AYSVEZYYVUFZTK-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000760905356 723103352 /nfs/dbraw/zinc/10/33/52/723103352.db2.gz AYSVEZYYVUFZTK-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000760905356 723103355 /nfs/dbraw/zinc/10/33/55/723103355.db2.gz AYSVEZYYVUFZTK-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2cccs2)[C@H](C)C1 ZINC000763412006 723341532 /nfs/dbraw/zinc/34/15/32/723341532.db2.gz CMZMTCQOMDMVAM-ZJPYXAASSA-N 2 1 354.560 3.287 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)[C@@H](C)C1 ZINC000765806384 723541992 /nfs/dbraw/zinc/54/19/92/723541992.db2.gz CCFKJKYEGPYQBS-FFZOFVMBSA-N 2 1 368.949 3.274 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796649177 723648546 /nfs/dbraw/zinc/64/85/46/723648546.db2.gz GYYGXUNABQCIOK-YQQAZPJKSA-N 2 1 350.507 3.205 20 0 FGADMP O=C(NC1CCCCC1)OC[C@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000796678821 723650034 /nfs/dbraw/zinc/65/00/34/723650034.db2.gz QNVIHTCNRPLDSU-LJQANCHMSA-N 2 1 351.535 3.386 20 0 FGADMP O=C(NC1CCCCC1)OC[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000796678821 723650035 /nfs/dbraw/zinc/65/00/35/723650035.db2.gz QNVIHTCNRPLDSU-LJQANCHMSA-N 2 1 351.535 3.386 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772326578 723756690 /nfs/dbraw/zinc/75/66/90/723756690.db2.gz XGQXBYGRIFGFGI-CVEARBPZSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772326578 723756693 /nfs/dbraw/zinc/75/66/93/723756693.db2.gz XGQXBYGRIFGFGI-CVEARBPZSA-N 2 1 350.507 3.301 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1)CC(C)C ZINC000773269280 723780776 /nfs/dbraw/zinc/78/07/76/723780776.db2.gz ATUIVTKXHZBSOA-UHFFFAOYSA-N 2 1 369.575 3.498 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1)CC(C)C ZINC000773269280 723780778 /nfs/dbraw/zinc/78/07/78/723780778.db2.gz ATUIVTKXHZBSOA-UHFFFAOYSA-N 2 1 369.575 3.498 20 0 FGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc(Cl)n1 ZINC000797595081 723839504 /nfs/dbraw/zinc/83/95/04/723839504.db2.gz LZVKQXUVEKDUOX-UHFFFAOYSA-N 2 1 358.917 3.081 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000775015484 723952221 /nfs/dbraw/zinc/95/22/21/723952221.db2.gz GKUGGNDXVTVLRY-HNNXBMFYSA-N 2 1 355.320 3.348 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C2)CC1 ZINC000798957118 723979786 /nfs/dbraw/zinc/97/97/86/723979786.db2.gz VGFXJPAGVLYGNG-UHFFFAOYSA-N 2 1 350.890 3.419 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000799177652 723995283 /nfs/dbraw/zinc/99/52/83/723995283.db2.gz ZGHPORNHLAEUHH-QGZVFWFLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3cc(F)cc(F)c3)C2)CC1 ZINC000799178065 723995556 /nfs/dbraw/zinc/99/55/56/723995556.db2.gz JWRWDRDFFLQOOP-UHFFFAOYSA-N 2 1 351.441 3.101 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000801922292 724346355 /nfs/dbraw/zinc/34/63/55/724346355.db2.gz HKJSMQFHWXHTED-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000801922292 724346359 /nfs/dbraw/zinc/34/63/59/724346359.db2.gz HKJSMQFHWXHTED-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000801922292 724346363 /nfs/dbraw/zinc/34/63/63/724346363.db2.gz HKJSMQFHWXHTED-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000788529297 725070795 /nfs/dbraw/zinc/07/07/95/725070795.db2.gz XODRIUORKQRNQZ-HOTGVXAUSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCC[C@H](C)C1 ZINC000788529297 725070799 /nfs/dbraw/zinc/07/07/99/725070799.db2.gz XODRIUORKQRNQZ-HOTGVXAUSA-N 2 1 351.535 3.096 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671629 725080219 /nfs/dbraw/zinc/08/02/19/725080219.db2.gz MYSPBFHUYYLDSY-IAGOWNOFSA-N 2 1 353.551 3.199 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000809568628 725248162 /nfs/dbraw/zinc/24/81/62/725248162.db2.gz UEJVSUGQYBWZSB-UHFFFAOYSA-N 2 1 358.555 3.301 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938040 725276967 /nfs/dbraw/zinc/27/69/67/725276967.db2.gz QLTWXNAKBJPRSJ-VQIMIIECSA-N 2 1 369.912 3.271 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938040 725276969 /nfs/dbraw/zinc/27/69/69/725276969.db2.gz QLTWXNAKBJPRSJ-VQIMIIECSA-N 2 1 369.912 3.271 20 0 FGADMP C[N@@H+](CCCOC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627609 725318540 /nfs/dbraw/zinc/31/85/40/725318540.db2.gz UTJUVCHZUXODGO-HXUWFJFHSA-N 2 1 350.478 3.264 20 0 FGADMP C[NH+](CCCOC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627609 725318542 /nfs/dbraw/zinc/31/85/42/725318542.db2.gz UTJUVCHZUXODGO-HXUWFJFHSA-N 2 1 350.478 3.264 20 0 FGADMP C[NH+](CCCOC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccccc1 ZINC000810627609 725318545 /nfs/dbraw/zinc/31/85/45/725318545.db2.gz UTJUVCHZUXODGO-HXUWFJFHSA-N 2 1 350.478 3.264 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000812715596 726806168 /nfs/dbraw/zinc/80/61/68/726806168.db2.gz LVKOVNWZAFCECO-MAUKXSAKSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3ccc(F)cc3)CCOCC2)s1 ZINC000815142966 727044379 /nfs/dbraw/zinc/04/43/79/727044379.db2.gz ASKOYINJBBIQJP-UHFFFAOYSA-N 2 1 363.502 3.225 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642615 727183794 /nfs/dbraw/zinc/18/37/94/727183794.db2.gz FPVOFNCMXVXULW-FQEVSTJZSA-N 2 1 353.551 3.440 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642615 727183796 /nfs/dbraw/zinc/18/37/96/727183796.db2.gz FPVOFNCMXVXULW-FQEVSTJZSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642615 727183798 /nfs/dbraw/zinc/18/37/98/727183798.db2.gz FPVOFNCMXVXULW-FQEVSTJZSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642615 727183800 /nfs/dbraw/zinc/18/38/00/727183800.db2.gz FPVOFNCMXVXULW-FQEVSTJZSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000818985785 727334724 /nfs/dbraw/zinc/33/47/24/727334724.db2.gz VYEOARFCKIYSJR-YOEHRIQHSA-N 2 1 355.320 3.193 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000819062198 727343297 /nfs/dbraw/zinc/34/32/97/727343297.db2.gz OMJFKRLONQOTJH-YJBOKZPZSA-N 2 1 373.324 3.260 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152193 727353072 /nfs/dbraw/zinc/35/30/72/727353072.db2.gz NYCNFHSPPFLYRQ-GUYCJALGSA-N 2 1 373.310 3.189 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1Br ZINC000819278591 727363814 /nfs/dbraw/zinc/36/38/14/727363814.db2.gz RWTISJXVRKJXOW-KVULBXGLSA-N 2 1 353.304 3.089 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000820811192 729033811 /nfs/dbraw/zinc/03/38/11/729033811.db2.gz MHMLLLVOWFQWRY-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000823413906 729277877 /nfs/dbraw/zinc/27/78/77/729277877.db2.gz OAKHEWWDJPQBBO-HOTGVXAUSA-N 2 1 350.507 3.386 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659710 729297034 /nfs/dbraw/zinc/29/70/34/729297034.db2.gz OGKJRAHTMNBHCV-BRSBDYLESA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659710 729297035 /nfs/dbraw/zinc/29/70/35/729297035.db2.gz OGKJRAHTMNBHCV-BRSBDYLESA-N 2 1 351.535 3.238 20 0 FGADMP O[C@@H](C[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919914 729365027 /nfs/dbraw/zinc/36/50/27/729365027.db2.gz ARJUZEPKUKXVBN-AEFFLSMTSA-N 2 1 354.479 3.417 20 0 FGADMP O[C@@H](C[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919914 729365028 /nfs/dbraw/zinc/36/50/28/729365028.db2.gz ARJUZEPKUKXVBN-AEFFLSMTSA-N 2 1 354.479 3.417 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509600 729647872 /nfs/dbraw/zinc/64/78/72/729647872.db2.gz FMMGZIRNXAHMPK-AEFFLSMTSA-N 2 1 355.885 3.250 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831509600 729647874 /nfs/dbraw/zinc/64/78/74/729647874.db2.gz FMMGZIRNXAHMPK-AEFFLSMTSA-N 2 1 355.885 3.250 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645070 729724611 /nfs/dbraw/zinc/72/46/11/729724611.db2.gz GPGNZYFQWYHBAS-GDBMZVCRSA-N 2 1 350.507 3.205 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834496811 729807958 /nfs/dbraw/zinc/80/79/58/729807958.db2.gz QZMQVYGKCSCQBP-ZWKOTPCHSA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566636 729814913 /nfs/dbraw/zinc/81/49/13/729814913.db2.gz PTLVZAFTUVTONT-KSZLIROESA-N 2 1 353.551 3.484 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566637 729814976 /nfs/dbraw/zinc/81/49/76/729814976.db2.gz PTLVZAFTUVTONT-KURKYZTESA-N 2 1 353.551 3.484 20 0 FGADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC000842673135 730529101 /nfs/dbraw/zinc/52/91/01/730529101.db2.gz FJVZEQRCPUYDDC-OKZBNKHCSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC000842673135 730529103 /nfs/dbraw/zinc/52/91/03/730529103.db2.gz FJVZEQRCPUYDDC-OKZBNKHCSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364211 730611139 /nfs/dbraw/zinc/61/11/39/730611139.db2.gz RQZKNGLRRXWLBL-ZDUSSCGKSA-N 2 1 370.324 3.246 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388443 730612744 /nfs/dbraw/zinc/61/27/44/730612744.db2.gz NUQFUMDWGKLYCL-KBPBESRZSA-N 2 1 369.481 3.261 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326695 730703411 /nfs/dbraw/zinc/70/34/11/730703411.db2.gz KIQPGRDVMGYUBS-SJORKVTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326695 730703417 /nfs/dbraw/zinc/70/34/17/730703417.db2.gz KIQPGRDVMGYUBS-SJORKVTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326695 730703425 /nfs/dbraw/zinc/70/34/25/730703425.db2.gz KIQPGRDVMGYUBS-SJORKVTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326695 730703432 /nfs/dbraw/zinc/70/34/32/730703432.db2.gz KIQPGRDVMGYUBS-SJORKVTESA-N 2 1 362.539 3.296 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H](O)c1c(F)cccc1Cl ZINC000848534077 731176837 /nfs/dbraw/zinc/17/68/37/731176837.db2.gz PDBFJNYBCFVABK-RFUYNDQBSA-N 2 1 370.896 3.134 20 0 FGADMP CC(C)(CNC(=[NH2+])NCCc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000849060057 731224978 /nfs/dbraw/zinc/22/49/78/731224978.db2.gz HIHBXDKMTRCBJO-UHFFFAOYSA-N 2 1 356.539 3.241 20 0 FGADMP CC[C@@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)CCO1 ZINC000849352269 731251715 /nfs/dbraw/zinc/25/17/15/731251715.db2.gz JWPNANARDLFLKF-KLICCBINSA-N 2 1 350.478 3.075 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H]2CCC[C@H]21 ZINC000850522655 731369017 /nfs/dbraw/zinc/36/90/17/731369017.db2.gz KOEBJQOQOCXUNU-YESZJQIVSA-N 2 1 351.535 3.286 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@H]2CCC[C@@H]21 ZINC000850522652 731369055 /nfs/dbraw/zinc/36/90/55/731369055.db2.gz KOEBJQOQOCXUNU-IKGGRYGDSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850535178 731370471 /nfs/dbraw/zinc/37/04/71/731370471.db2.gz VMQKPVASWVHYQT-KANFNMMFSA-N 2 1 350.453 3.301 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554197 731372290 /nfs/dbraw/zinc/37/22/90/731372290.db2.gz DARCQHDNFUWDIB-MAUKXSAKSA-N 2 1 373.324 3.260 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852890666 731642785 /nfs/dbraw/zinc/64/27/85/731642785.db2.gz UXIGSKQYFIZHLA-HKUYNNGSSA-N 2 1 365.880 3.040 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852890666 731642789 /nfs/dbraw/zinc/64/27/89/731642789.db2.gz UXIGSKQYFIZHLA-HKUYNNGSSA-N 2 1 365.880 3.040 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[C@H]3SCCS[C@H]23)cc1 ZINC000854225034 731806112 /nfs/dbraw/zinc/80/61/12/731806112.db2.gz VFRLDIHXZUHUQK-IGKNDFSCSA-N 2 1 352.544 3.240 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585112 732040241 /nfs/dbraw/zinc/04/02/41/732040241.db2.gz ZMIRUKMHQBUCJQ-QAPCUYQASA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585112 732040246 /nfs/dbraw/zinc/04/02/46/732040246.db2.gz ZMIRUKMHQBUCJQ-QAPCUYQASA-N 2 1 353.457 3.422 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)ccn1 ZINC000856585112 732040248 /nfs/dbraw/zinc/04/02/48/732040248.db2.gz ZMIRUKMHQBUCJQ-QAPCUYQASA-N 2 1 353.457 3.422 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492103 732220044 /nfs/dbraw/zinc/22/00/44/732220044.db2.gz SZKMREOUBPMTTN-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491474 732220294 /nfs/dbraw/zinc/22/02/94/732220294.db2.gz IRQHZLOKVRSARK-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(Cl)c(F)c3)C2)CC1 ZINC000859291974 732304919 /nfs/dbraw/zinc/30/49/19/732304919.db2.gz QASPCAHKNDYHOD-UHFFFAOYSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3nc(C(C)(C)C)cs3)CC2)CC1 ZINC000865439514 733201795 /nfs/dbraw/zinc/20/17/95/733201795.db2.gz WUOPTUKIWYKEGH-UHFFFAOYSA-N 2 1 350.576 3.089 20 0 FGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000865497004 733213451 /nfs/dbraw/zinc/21/34/51/733213451.db2.gz XKPCWOVSEDOWST-PMACEKPBSA-N 2 1 350.478 3.082 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@@H]2CCC[C@@H]21 ZINC000866559396 733366008 /nfs/dbraw/zinc/36/60/08/733366008.db2.gz HCVFLVCJDYKTSU-YDHLFZDLSA-N 2 1 356.436 3.201 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@@H]2CCC[C@@H]21 ZINC000866559396 733366015 /nfs/dbraw/zinc/36/60/15/733366015.db2.gz HCVFLVCJDYKTSU-YDHLFZDLSA-N 2 1 356.436 3.201 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@H]2CCC[C@H]21 ZINC000866559395 733366124 /nfs/dbraw/zinc/36/61/24/733366124.db2.gz HCVFLVCJDYKTSU-VNHYZAJKSA-N 2 1 356.436 3.201 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@H]2CCC[C@H]21 ZINC000866559395 733366130 /nfs/dbraw/zinc/36/61/30/733366130.db2.gz HCVFLVCJDYKTSU-VNHYZAJKSA-N 2 1 356.436 3.201 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1c(=O)scc1C(F)(F)F ZINC000872744182 735670272 /nfs/dbraw/zinc/67/02/72/735670272.db2.gz QPKYQTGHYZNSNJ-UHFFFAOYSA-N 2 1 365.465 3.186 20 0 FGADMP Cc1sc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1Br ZINC000873055159 735714822 /nfs/dbraw/zinc/71/48/22/735714822.db2.gz DXCFXGWUQIEVGZ-CYBMUJFWSA-N 2 1 373.360 3.410 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1Br ZINC000876888171 736157889 /nfs/dbraw/zinc/15/78/89/736157889.db2.gz ANNHABSLZXTAAS-UJZCVKTISA-N 2 1 366.303 3.005 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3N)c2)CCO1 ZINC000876970222 736168847 /nfs/dbraw/zinc/16/88/47/736168847.db2.gz LRMWWNVXHVRBNI-HNNXBMFYSA-N 2 1 359.901 3.433 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3N)c2)CCO1 ZINC000876970222 736168851 /nfs/dbraw/zinc/16/88/51/736168851.db2.gz LRMWWNVXHVRBNI-HNNXBMFYSA-N 2 1 359.901 3.433 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000877156556 736193241 /nfs/dbraw/zinc/19/32/41/736193241.db2.gz XGIPNTJZTGFQPA-PWECECGKSA-N 2 1 368.462 3.375 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321978 737155402 /nfs/dbraw/zinc/15/54/02/737155402.db2.gz GDSSSDSVWHSMDL-HZPDHXFCSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321978 737155408 /nfs/dbraw/zinc/15/54/08/737155408.db2.gz GDSSSDSVWHSMDL-HZPDHXFCSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)nc1C ZINC000880321978 737155413 /nfs/dbraw/zinc/15/54/13/737155413.db2.gz GDSSSDSVWHSMDL-HZPDHXFCSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)nc1C ZINC000880321978 737155418 /nfs/dbraw/zinc/15/54/18/737155418.db2.gz GDSSSDSVWHSMDL-HZPDHXFCSA-N 2 1 365.543 3.292 20 0 FGADMP C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517612 737183829 /nfs/dbraw/zinc/18/38/29/737183829.db2.gz USYISAADQQKVFH-OAHLLOKOSA-N 2 1 352.910 3.260 20 0 FGADMP CCC1(NC(=O)OC(C)(C)C)CC[NH+]([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000883279930 737545600 /nfs/dbraw/zinc/54/56/00/737545600.db2.gz LDKPUUCITLOQFB-SJORKVTESA-N 2 1 351.535 3.383 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)c1 ZINC000884190375 737642123 /nfs/dbraw/zinc/64/21/23/737642123.db2.gz CLLHGGHHOXMNQN-MRXNPFEDSA-N 2 1 351.372 3.406 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884461463 737665964 /nfs/dbraw/zinc/66/59/64/737665964.db2.gz FUOQBMAQHGNFHF-HNNXBMFYSA-N 2 1 357.420 3.038 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892584494 740020043 /nfs/dbraw/zinc/02/00/43/740020043.db2.gz KXIPLUOAMNSSQT-KURKYZTESA-N 2 1 353.551 3.391 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C(F)(F)F ZINC000894742261 742326048 /nfs/dbraw/zinc/32/60/48/742326048.db2.gz AVDDFEWYNFDRJD-RENRBCRCSA-N 2 1 362.436 3.112 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1 ZINC000903496677 743856649 /nfs/dbraw/zinc/85/66/49/743856649.db2.gz YIRFKMUIEVBSFY-HZSPNIEDSA-N 2 1 368.319 3.001 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1 ZINC000903496677 743856652 /nfs/dbraw/zinc/85/66/52/743856652.db2.gz YIRFKMUIEVBSFY-HZSPNIEDSA-N 2 1 368.319 3.001 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969690 743906613 /nfs/dbraw/zinc/90/66/13/743906613.db2.gz JBYCYNXCZTUEPR-WMLDXEAASA-N 2 1 356.432 3.385 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905110298 743993498 /nfs/dbraw/zinc/99/34/98/743993498.db2.gz LYWSMFYXBRNYQD-SFHVURJKSA-N 2 1 374.356 3.034 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912885962 757392704 /nfs/dbraw/zinc/39/27/04/757392704.db2.gz JOXHZRCGPULJGR-IBGZPJMESA-N 2 1 361.917 3.001 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912885962 757392717 /nfs/dbraw/zinc/39/27/17/757392717.db2.gz JOXHZRCGPULJGR-IBGZPJMESA-N 2 1 361.917 3.001 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000918124413 758305482 /nfs/dbraw/zinc/30/54/82/758305482.db2.gz NPLJNFVQRPGTFS-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388389 758910046 /nfs/dbraw/zinc/91/00/46/758910046.db2.gz PLGQKSVZMGDBQC-ZJPYXAASSA-N 2 1 367.331 3.018 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391543 758911572 /nfs/dbraw/zinc/91/15/72/758911572.db2.gz WMVHFCCXJYGNJQ-VXNCWWDNSA-N 2 1 363.889 3.051 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393949 758913883 /nfs/dbraw/zinc/91/38/83/758913883.db2.gz NZUFPCJHLQTGJL-LFGUQSLTSA-N 2 1 365.587 3.301 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372909 759106897 /nfs/dbraw/zinc/10/68/97/759106897.db2.gz KIFUAURFWWSCJB-GOEBONIOSA-N 2 1 361.313 3.230 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000924648112 759367659 /nfs/dbraw/zinc/36/76/59/759367659.db2.gz KPZJPHXFVSFRJE-BLLLJJGKSA-N 2 1 350.304 3.295 20 0 FGADMP CSC1CC([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)C1 ZINC000924929389 759418165 /nfs/dbraw/zinc/41/81/65/759418165.db2.gz FZONOIINEHFZLJ-UHFFFAOYSA-N 2 1 364.555 3.160 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000925078382 759444230 /nfs/dbraw/zinc/44/42/30/759444230.db2.gz LNEMEGFKNNMYOV-CTNGQTDRSA-N 2 1 353.595 3.224 20 0 FGADMP FC(F)(F)Oc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925786592 759538853 /nfs/dbraw/zinc/53/88/53/759538853.db2.gz XANHOFIRSVPWMY-FZMZJTMJSA-N 2 1 350.331 3.407 20 0 FGADMP C[C@@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000927115629 759895838 /nfs/dbraw/zinc/89/58/38/759895838.db2.gz BFRXIOXNOJCUMS-CQSZACIVSA-N 2 1 361.511 3.007 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000929779166 760455026 /nfs/dbraw/zinc/45/50/26/760455026.db2.gz WNFMZGLVAUHQBG-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455382 /nfs/dbraw/zinc/45/53/82/760455382.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 2 1 353.551 3.344 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455388 /nfs/dbraw/zinc/45/53/88/760455388.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 2 1 353.551 3.344 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778424 760455397 /nfs/dbraw/zinc/45/53/97/760455397.db2.gz IWWLLDZKOLDTHH-SQNIBIBYSA-N 2 1 353.551 3.344 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000931172239 760794404 /nfs/dbraw/zinc/79/44/04/760794404.db2.gz IUSRAFZOUSMTKQ-LJQANCHMSA-N 2 1 361.555 3.355 20 0 FGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@]2(C)C1 ZINC000931306300 760824886 /nfs/dbraw/zinc/82/48/86/760824886.db2.gz KRBOKMPZQPIASD-HDICACEKSA-N 2 1 353.869 3.081 20 0 FGADMP C[N@H+]1C[C@]2(C)C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@]2(C)C1 ZINC000931306300 760824897 /nfs/dbraw/zinc/82/48/97/760824897.db2.gz KRBOKMPZQPIASD-HDICACEKSA-N 2 1 353.869 3.081 20 0 FGADMP C[NH+]1C[C@]2(C)C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@]2(C)C1 ZINC000931306300 760824907 /nfs/dbraw/zinc/82/49/07/760824907.db2.gz KRBOKMPZQPIASD-HDICACEKSA-N 2 1 353.869 3.081 20 0 FGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@]2(C)C1 ZINC000931306300 760824924 /nfs/dbraw/zinc/82/49/24/760824924.db2.gz KRBOKMPZQPIASD-HDICACEKSA-N 2 1 353.869 3.081 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000934610363 761675376 /nfs/dbraw/zinc/67/53/76/761675376.db2.gz ILRZQLJZCBCMAP-KSZLIROESA-N 2 1 351.535 3.240 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000961855705 762753340 /nfs/dbraw/zinc/75/33/40/762753340.db2.gz XIGXYDGXKIBLJM-HJRFIPHPSA-N 2 1 363.933 3.055 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(Cl)s3)CC2(C)C)CC[N@@H+]1C ZINC000974586408 763033455 /nfs/dbraw/zinc/03/34/55/763033455.db2.gz FBHGVWSHAFSESD-YUELXQCFSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(Cl)s3)CC2(C)C)CC[N@H+]1C ZINC000974586408 763033460 /nfs/dbraw/zinc/03/34/60/763033460.db2.gz FBHGVWSHAFSESD-YUELXQCFSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(Cl)s3)CC2(C)C)CC[NH+]1C ZINC000974586408 763033469 /nfs/dbraw/zinc/03/34/69/763033469.db2.gz FBHGVWSHAFSESD-YUELXQCFSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccc(Cl)s3)CC2(C)C)CC[NH+]1C ZINC000974586408 763033474 /nfs/dbraw/zinc/03/34/74/763033474.db2.gz FBHGVWSHAFSESD-YUELXQCFSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@@H+]1C ZINC000981197764 763464676 /nfs/dbraw/zinc/46/46/76/763464676.db2.gz OBOOFEMXQKCZCG-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000981197764 763464682 /nfs/dbraw/zinc/46/46/82/763464682.db2.gz OBOOFEMXQKCZCG-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC000981197764 763464685 /nfs/dbraw/zinc/46/46/85/763464685.db2.gz OBOOFEMXQKCZCG-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC000981197764 763464689 /nfs/dbraw/zinc/46/46/89/763464689.db2.gz OBOOFEMXQKCZCG-RBUKOAKNSA-N 2 1 363.933 3.105 20 0 FGADMP C[C@H](c1ccccc1Cl)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196622 763464921 /nfs/dbraw/zinc/46/49/21/763464921.db2.gz OICJXHQEBMKZQE-JFIYKMOQSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1ccccc1Cl)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196622 763464927 /nfs/dbraw/zinc/46/49/27/763464927.db2.gz OICJXHQEBMKZQE-JFIYKMOQSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1ccccc1Cl)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196622 763464928 /nfs/dbraw/zinc/46/49/28/763464928.db2.gz OICJXHQEBMKZQE-JFIYKMOQSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1ccccc1Cl)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196622 763464932 /nfs/dbraw/zinc/46/49/32/763464932.db2.gz OICJXHQEBMKZQE-JFIYKMOQSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001023990878 766047801 /nfs/dbraw/zinc/04/78/01/766047801.db2.gz IOHFUIIRAPISGP-IIAWOOMASA-N 2 1 369.962 3.070 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330272 766586206 /nfs/dbraw/zinc/58/62/06/766586206.db2.gz YIYSRSIXNVHJAC-MDYRTPRTSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330272 766586213 /nfs/dbraw/zinc/58/62/13/766586213.db2.gz YIYSRSIXNVHJAC-MDYRTPRTSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@](C)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330272 766586219 /nfs/dbraw/zinc/58/62/19/766586219.db2.gz YIYSRSIXNVHJAC-MDYRTPRTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](C/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001052394241 766899867 /nfs/dbraw/zinc/89/98/67/766899867.db2.gz CDGVNJBUJDEVQN-SRNIVMOISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](C/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001052394241 766899876 /nfs/dbraw/zinc/89/98/76/766899876.db2.gz CDGVNJBUJDEVQN-SRNIVMOISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](C/C(Cl)=C\Cl)CC2)CC[NH+]1C ZINC001052394241 766899885 /nfs/dbraw/zinc/89/98/85/766899885.db2.gz CDGVNJBUJDEVQN-SRNIVMOISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C/C(Cl)=C\Cl)CC2)CC[NH+]1C ZINC001052394241 766899895 /nfs/dbraw/zinc/89/98/95/766899895.db2.gz CDGVNJBUJDEVQN-SRNIVMOISA-N 2 1 362.345 3.006 20 0 FGADMP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393594 766900440 /nfs/dbraw/zinc/90/04/40/766900440.db2.gz PBQLSDYFIZRVEJ-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393594 766900443 /nfs/dbraw/zinc/90/04/43/766900443.db2.gz PBQLSDYFIZRVEJ-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@@H+]2CCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393594 766900448 /nfs/dbraw/zinc/90/04/48/766900448.db2.gz PBQLSDYFIZRVEJ-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000359894279 210194768 /nfs/dbraw/zinc/19/47/68/210194768.db2.gz FWDOPMPJIZPLKO-MFKCLSPESA-N 2 1 370.537 3.215 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000102423209 257350471 /nfs/dbraw/zinc/35/04/71/257350471.db2.gz PYXXYJUVOCFPLU-ZDUSSCGKSA-N 2 1 351.288 3.156 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000248756663 257370221 /nfs/dbraw/zinc/37/02/21/257370221.db2.gz WNXHEKCSQITCGK-KDOFPFPSSA-N 2 1 358.511 3.022 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000567966475 505584910 /nfs/dbraw/zinc/58/49/10/505584910.db2.gz KOZNQDMFECELFH-IBGZPJMESA-N 2 1 357.542 3.079 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1)CC(C)C ZINC000579654667 505594795 /nfs/dbraw/zinc/59/47/95/505594795.db2.gz GGCNFZHDHDAYKL-FQEVSTJZSA-N 2 1 374.573 3.361 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1)CC(C)C ZINC000579654667 505594798 /nfs/dbraw/zinc/59/47/98/505594798.db2.gz GGCNFZHDHDAYKL-FQEVSTJZSA-N 2 1 374.573 3.361 20 0 FGADMP Cc1ccc([C@H](C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)N2CCOCC2)cc1 ZINC000579699582 505604249 /nfs/dbraw/zinc/60/42/49/505604249.db2.gz VWLDJRUMHCSIJZ-FSSWDIPSSA-N 2 1 351.494 3.103 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CC1 ZINC000568094833 505615615 /nfs/dbraw/zinc/61/56/15/505615615.db2.gz QHSOCRMCUAYJRA-UHFFFAOYSA-N 2 1 371.569 3.421 20 0 FGADMP O=C(CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955634 505619816 /nfs/dbraw/zinc/61/98/16/505619816.db2.gz UDECTPJEDKPHPR-QGZVFWFLSA-N 2 1 373.447 3.405 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879374 505637622 /nfs/dbraw/zinc/63/76/22/505637622.db2.gz BVSFUTVWGULGFC-YLJYHZDGSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000573879181 505642412 /nfs/dbraw/zinc/64/24/12/505642412.db2.gz SPADGFRGZSJFBH-MRXNPFEDSA-N 2 1 357.502 3.184 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC000571126295 505658680 /nfs/dbraw/zinc/65/86/80/505658680.db2.gz ZRTVHSQVQOZZPO-UHFFFAOYSA-N 2 1 353.470 3.123 20 0 FGADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000573978755 505665664 /nfs/dbraw/zinc/66/56/64/505665664.db2.gz DONFGDIIMWECOW-IBGZPJMESA-N 2 1 372.900 3.454 20 0 FGADMP CC[N@H+](Cc1ccc(C(N)=O)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154979 493833246 /nfs/dbraw/zinc/83/32/46/493833246.db2.gz WRENHBRAUOMSGL-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1ccc(C(N)=O)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154979 493833254 /nfs/dbraw/zinc/83/32/54/493833254.db2.gz WRENHBRAUOMSGL-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1ccc(C(N)=O)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154979 493833258 /nfs/dbraw/zinc/83/32/58/493833258.db2.gz WRENHBRAUOMSGL-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP Ic1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000568395133 505684746 /nfs/dbraw/zinc/68/47/46/505684746.db2.gz STUTUPYQFOCGGY-LSDHHAIUSA-N 2 1 370.278 3.113 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000049976170 493889045 /nfs/dbraw/zinc/88/90/45/493889045.db2.gz CTZRTPGEFWXUEK-JOCHJYFZSA-N 2 1 363.505 3.287 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)c3cncnc3C)CC2)cc1 ZINC000568413731 505688858 /nfs/dbraw/zinc/68/88/58/505688858.db2.gz OZIOEZUSEUCMDN-INIZCTEOSA-N 2 1 367.497 3.059 20 0 FGADMP C[C@@H](C1CC1)[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000076675130 493948659 /nfs/dbraw/zinc/94/86/59/493948659.db2.gz AMBLRPHCMYMGMO-KRWDZBQOSA-N 2 1 355.526 3.162 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@H]21 ZINC000577220723 505690653 /nfs/dbraw/zinc/69/06/53/505690653.db2.gz LJMAZFMFUBUCNK-ONCXSQPRSA-N 2 1 370.541 3.079 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069295889 493951798 /nfs/dbraw/zinc/95/17/98/493951798.db2.gz METSPRBWRLLYNA-ZWKOTPCHSA-N 2 1 360.546 3.147 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000061794948 493995361 /nfs/dbraw/zinc/99/53/61/493995361.db2.gz GEAWNIFIODXIPU-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000076983330 494002234 /nfs/dbraw/zinc/00/22/34/494002234.db2.gz FHSMCTVWENOIOT-HXUWFJFHSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063665407 494075439 /nfs/dbraw/zinc/07/54/39/494075439.db2.gz IARSAYTVLDANGD-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000063665407 494075443 /nfs/dbraw/zinc/07/54/43/494075443.db2.gz IARSAYTVLDANGD-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000063665407 494075449 /nfs/dbraw/zinc/07/54/49/494075449.db2.gz IARSAYTVLDANGD-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063727542 494081039 /nfs/dbraw/zinc/08/10/39/494081039.db2.gz WGOAZXFLYWQLMZ-UHFFFAOYSA-N 2 1 357.542 3.231 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000064228623 494107619 /nfs/dbraw/zinc/10/76/19/494107619.db2.gz BBXCJBCACLJUOH-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000085390201 494119582 /nfs/dbraw/zinc/11/95/82/494119582.db2.gz JPYVRMBXEULFBP-PXNSSMCTSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085388349 494119872 /nfs/dbraw/zinc/11/98/72/494119872.db2.gz XXZUXGYRIKVWFV-PXNSSMCTSA-N 2 1 360.546 3.010 20 0 FGADMP O=C(C[N@H+](Cc1ccccc1)CC1CCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064515343 494129851 /nfs/dbraw/zinc/12/98/51/494129851.db2.gz WQABKKXLVJNWCE-UHFFFAOYSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000064735794 494144381 /nfs/dbraw/zinc/14/43/81/494144381.db2.gz GEAIHOUNTJWGEZ-CEXWTWQISA-N 2 1 373.541 3.104 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000065441289 494197529 /nfs/dbraw/zinc/19/75/29/494197529.db2.gz GBHHPLHXKGTZHN-GOSISDBHSA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000065441289 494197534 /nfs/dbraw/zinc/19/75/34/494197534.db2.gz GBHHPLHXKGTZHN-GOSISDBHSA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000065441289 494197539 /nfs/dbraw/zinc/19/75/39/494197539.db2.gz GBHHPLHXKGTZHN-GOSISDBHSA-N 2 1 360.546 3.056 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687623 494255138 /nfs/dbraw/zinc/25/51/38/494255138.db2.gz YOMIQINPNBVBNT-HXUWFJFHSA-N 3 1 358.574 3.040 20 0 FGADMP CCC[N@@H+]1CC[C@H](CNCc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687623 494255141 /nfs/dbraw/zinc/25/51/41/494255141.db2.gz YOMIQINPNBVBNT-HXUWFJFHSA-N 2 1 358.574 3.040 20 0 FGADMP CCC[N@H+]1CC[C@H](CNCc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000088687623 494255147 /nfs/dbraw/zinc/25/51/47/494255147.db2.gz YOMIQINPNBVBNT-HXUWFJFHSA-N 2 1 358.574 3.040 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000066568066 494357183 /nfs/dbraw/zinc/35/71/83/494357183.db2.gz YYUUCEFNJXHKAI-UHFFFAOYSA-N 2 1 357.542 3.070 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCCc4ccccc43)CC2)CC1 ZINC000066568228 494357729 /nfs/dbraw/zinc/35/77/29/494357729.db2.gz ZUKCWENTBWLOGX-QFIPXVFZSA-N 2 1 369.553 3.330 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533227 494363900 /nfs/dbraw/zinc/36/39/00/494363900.db2.gz OIWIAFUWDQAIGQ-STQMWFEESA-N 2 1 358.267 3.284 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000073595318 494395855 /nfs/dbraw/zinc/39/58/55/494395855.db2.gz OPDTUQNGPPBECG-IBGZPJMESA-N 2 1 363.550 3.172 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000067062779 494466892 /nfs/dbraw/zinc/46/68/92/494466892.db2.gz XDTHYHROVXWWMR-GOSISDBHSA-N 2 1 360.546 3.012 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090525004 494477814 /nfs/dbraw/zinc/47/78/14/494477814.db2.gz TZVXUJODYOVBTB-YSGRDPCXSA-N 2 1 362.514 3.122 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000090655994 494490931 /nfs/dbraw/zinc/49/09/31/494490931.db2.gz FJTBLVKLLZJZNM-XXBNENTESA-N 2 1 352.522 3.275 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000079613317 494493120 /nfs/dbraw/zinc/49/31/20/494493120.db2.gz DLURXNIVOQVNAU-KDURUIRLSA-N 2 1 366.594 3.118 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000074211012 494498646 /nfs/dbraw/zinc/49/86/46/494498646.db2.gz MIDRDPISRUCCQX-VOBGVNJCSA-N 2 1 372.557 3.430 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000074352768 494523617 /nfs/dbraw/zinc/52/36/17/494523617.db2.gz KWYVELRKGJPVEL-IBGZPJMESA-N 2 1 352.567 3.158 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000577437508 505727286 /nfs/dbraw/zinc/72/72/86/505727286.db2.gz ACZXMWUKCWMLJE-UHFFFAOYSA-N 2 1 374.535 3.497 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080056160 494578222 /nfs/dbraw/zinc/57/82/22/494578222.db2.gz LNNJMSQVJDOQIO-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccnc1 ZINC000091288708 494578228 /nfs/dbraw/zinc/57/82/28/494578228.db2.gz VIMMIBFCAHXZKJ-JOCHJYFZSA-N 2 1 352.526 3.316 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nc2ccccc2n1C ZINC000091312952 494581962 /nfs/dbraw/zinc/58/19/62/494581962.db2.gz KUGGFWLDGKPKGF-MRXNPFEDSA-N 2 1 352.482 3.365 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000091335979 494586606 /nfs/dbraw/zinc/58/66/06/494586606.db2.gz LFEQAQKRNFEVMK-KSSFIOAISA-N 2 1 367.331 3.119 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164833 494619995 /nfs/dbraw/zinc/61/99/95/494619995.db2.gz PCWKGWVPBMTWJP-CTNGQTDRSA-N 2 1 374.573 3.269 20 0 FGADMP Cc1cc(C)cc(C2=CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000092428022 494624815 /nfs/dbraw/zinc/62/48/15/494624815.db2.gz NOLCJOMYFPYIDH-UHFFFAOYSA-N 2 1 369.553 3.382 20 0 FGADMP Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000092428022 494624823 /nfs/dbraw/zinc/62/48/23/494624823.db2.gz NOLCJOMYFPYIDH-UHFFFAOYSA-N 2 1 369.553 3.382 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000580321974 505732810 /nfs/dbraw/zinc/73/28/10/505732810.db2.gz KZKQFCMXZHGGRN-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580321974 505732813 /nfs/dbraw/zinc/73/28/13/505732813.db2.gz KZKQFCMXZHGGRN-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580321974 505732816 /nfs/dbraw/zinc/73/28/16/505732816.db2.gz KZKQFCMXZHGGRN-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121249933 494666150 /nfs/dbraw/zinc/66/61/50/494666150.db2.gz NXNCDFRBSGYHJW-RTBURBONSA-N 3 1 369.557 3.105 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000075007882 494672642 /nfs/dbraw/zinc/67/26/42/494672642.db2.gz OFQDEXOBSUVTEW-UHFFFAOYSA-N 2 1 361.530 3.010 20 0 FGADMP COc1ccc(OC)c([C@H](C)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000126315947 494706254 /nfs/dbraw/zinc/70/62/54/494706254.db2.gz HUZSYIFMHSYDBM-AWEZNQCLSA-N 2 1 352.438 3.444 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000108549547 494735823 /nfs/dbraw/zinc/73/58/23/494735823.db2.gz YGQDLXODBHLDDR-IBGZPJMESA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745514 494736243 /nfs/dbraw/zinc/73/62/43/494736243.db2.gz FIDUBZWILOCBTP-SFHVURJKSA-N 2 1 369.509 3.422 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561908 494740920 /nfs/dbraw/zinc/74/09/20/494740920.db2.gz MPQQLANEMOYYSJ-FPOVZHCZSA-N 2 1 372.557 3.101 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080611593 494747410 /nfs/dbraw/zinc/74/74/10/494747410.db2.gz GTWBAKDBPFSDLN-RBUKOAKNSA-N 2 1 373.566 3.357 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410839 494759945 /nfs/dbraw/zinc/75/99/45/494759945.db2.gz QZYBUAZXRYITQL-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821112 494763448 /nfs/dbraw/zinc/76/34/48/494763448.db2.gz ZZTCNOVEFHJQQH-SFHVURJKSA-N 2 1 358.530 3.021 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000577508195 505741885 /nfs/dbraw/zinc/74/18/85/505741885.db2.gz DIGBVLOZGCENBV-IBGZPJMESA-N 2 1 372.557 3.341 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@@H]3c3ccccc3)cn2)CC1 ZINC000092127170 494798051 /nfs/dbraw/zinc/79/80/51/494798051.db2.gz UUARGGXOZWVZPA-OAQYLSRUSA-N 2 1 365.525 3.346 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@@H]3c3ccccc3)cn2)CC1 ZINC000092127170 494798055 /nfs/dbraw/zinc/79/80/55/494798055.db2.gz UUARGGXOZWVZPA-OAQYLSRUSA-N 2 1 365.525 3.346 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)CC1 ZINC000092165530 494802690 /nfs/dbraw/zinc/80/26/90/494802690.db2.gz OZGUXZZJPASBSW-UHFFFAOYSA-N 2 1 360.498 3.317 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)CC1 ZINC000092165530 494802694 /nfs/dbraw/zinc/80/26/94/494802694.db2.gz OZGUXZZJPASBSW-UHFFFAOYSA-N 2 1 360.498 3.317 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)cc3C)CC2)CC1 ZINC000093141729 494834543 /nfs/dbraw/zinc/83/45/43/494834543.db2.gz JJSRUJHHCKMDQP-UHFFFAOYSA-N 2 1 357.542 3.070 20 0 FGADMP Cn1ncc(Cl)c1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000132386459 494866627 /nfs/dbraw/zinc/86/66/27/494866627.db2.gz KSSPSNNNELAURJ-UHFFFAOYSA-N 2 1 361.921 3.464 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329116 494871090 /nfs/dbraw/zinc/87/10/90/494871090.db2.gz LVQZXXBDJPFYHG-HNNXBMFYSA-N 2 1 354.376 3.149 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000093329116 494871096 /nfs/dbraw/zinc/87/10/96/494871096.db2.gz LVQZXXBDJPFYHG-HNNXBMFYSA-N 2 1 354.376 3.149 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000093399275 494885326 /nfs/dbraw/zinc/88/53/26/494885326.db2.gz XAZOBVNERXNQRM-SFHVURJKSA-N 2 1 358.555 3.392 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000122103449 494924113 /nfs/dbraw/zinc/92/41/13/494924113.db2.gz YAVVMGJPWNOPRF-MRXNPFEDSA-N 2 1 369.513 3.273 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2)CC1 ZINC000122117883 494926278 /nfs/dbraw/zinc/92/62/78/494926278.db2.gz VPMXADKLFVTPRM-GOSISDBHSA-N 2 1 361.530 3.084 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000122159023 494933461 /nfs/dbraw/zinc/93/34/61/494933461.db2.gz JUFVXSIFSKBHNR-UHFFFAOYSA-N 2 1 372.513 3.307 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000122159023 494933466 /nfs/dbraw/zinc/93/34/66/494933466.db2.gz JUFVXSIFSKBHNR-UHFFFAOYSA-N 2 1 372.513 3.307 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000122174420 494935890 /nfs/dbraw/zinc/93/58/90/494935890.db2.gz SHOYZOFXGJDHPG-UHFFFAOYSA-N 2 1 362.514 3.028 20 0 FGADMP Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000122257345 494948287 /nfs/dbraw/zinc/94/82/87/494948287.db2.gz BRZAGKHCBGBQKW-NRFANRHFSA-N 2 1 357.542 3.429 20 0 FGADMP C[C@H]1CCC[N@H+](CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133008606 494956003 /nfs/dbraw/zinc/95/60/03/494956003.db2.gz ZSISWSGCUZGSQQ-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133008606 494956005 /nfs/dbraw/zinc/95/60/05/494956005.db2.gz ZSISWSGCUZGSQQ-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000118806028 495038744 /nfs/dbraw/zinc/03/87/44/495038744.db2.gz BJZIVPJFWYCOEX-GOSISDBHSA-N 2 1 369.513 3.470 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000118874381 495051060 /nfs/dbraw/zinc/05/10/60/495051060.db2.gz UVWHIAUVRRDXLC-LJQANCHMSA-N 2 1 354.498 3.350 20 0 FGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000128294336 495074667 /nfs/dbraw/zinc/07/46/67/495074667.db2.gz RDTVCFYECKYJJO-INIZCTEOSA-N 2 1 355.473 3.275 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3ccnc(N4CCCC4)c3)CC2)cc1 ZINC000128509918 495108128 /nfs/dbraw/zinc/10/81/28/495108128.db2.gz UHXLRHXSBWSQSP-UHFFFAOYSA-N 2 1 350.510 3.436 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111857207 495121629 /nfs/dbraw/zinc/12/16/29/495121629.db2.gz ALXQTITVEDWVHT-LJQANCHMSA-N 2 1 352.567 3.062 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000128839116 495157714 /nfs/dbraw/zinc/15/77/14/495157714.db2.gz FQAWVKAQLGHLKE-UWJYYQICSA-N 2 1 374.573 3.052 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@H]1C ZINC000129030513 495186047 /nfs/dbraw/zinc/18/60/47/495186047.db2.gz VPPAPVKOAADYQY-WSTZPKSXSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1nc2c(s1)CCC2 ZINC000134779158 495200034 /nfs/dbraw/zinc/20/00/34/495200034.db2.gz PPGDXOPDRTXVKW-HNNXBMFYSA-N 2 1 357.523 3.315 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(F)ccc3F)cn2)CC1 ZINC000112529222 495201327 /nfs/dbraw/zinc/20/13/27/495201327.db2.gz JGIDADIGSNOCTB-HNNXBMFYSA-N 2 1 360.452 3.353 20 0 FGADMP O[C@H](COCc1cccs1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229530 495206473 /nfs/dbraw/zinc/20/64/73/495206473.db2.gz BUSBRMLSGXLTSA-MOPGFXCFSA-N 2 1 366.571 3.214 20 0 FGADMP O[C@H](COCc1cccs1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229530 495206478 /nfs/dbraw/zinc/20/64/78/495206478.db2.gz BUSBRMLSGXLTSA-MOPGFXCFSA-N 2 1 366.571 3.214 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H](C)C1 ZINC000119644907 495209354 /nfs/dbraw/zinc/20/93/54/495209354.db2.gz PKAMZAHIRJPZKK-UYAOXDASSA-N 2 1 356.514 3.099 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000123943887 495210329 /nfs/dbraw/zinc/21/03/29/495210329.db2.gz RDPJABKEFHDWLG-CQSZACIVSA-N 2 1 365.319 3.276 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000129211535 495211162 /nfs/dbraw/zinc/21/11/62/495211162.db2.gz QPJLOZSZIMPIBT-OXQOHEQNSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000129211535 495211163 /nfs/dbraw/zinc/21/11/63/495211163.db2.gz QPJLOZSZIMPIBT-OXQOHEQNSA-N 2 1 352.482 3.154 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1n1ccnc1 ZINC000129683918 495280165 /nfs/dbraw/zinc/28/01/65/495280165.db2.gz DLMKAKWVPFJGNO-ZFWWWQNUSA-N 2 1 354.376 3.302 20 0 FGADMP C[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]1n1ccnc1 ZINC000129683918 495280170 /nfs/dbraw/zinc/28/01/70/495280170.db2.gz DLMKAKWVPFJGNO-ZFWWWQNUSA-N 2 1 354.376 3.302 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000129859582 495306381 /nfs/dbraw/zinc/30/63/81/495306381.db2.gz OLZQDQUVJBZPPC-XLIONFOSSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1 ZINC000120098391 495306456 /nfs/dbraw/zinc/30/64/56/495306456.db2.gz HZEUACGLYUJYGI-LAUBAEHRSA-N 2 1 356.514 3.188 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CCOCC2)cc1 ZINC000120098226 495306706 /nfs/dbraw/zinc/30/67/06/495306706.db2.gz HZEUACGLYUJYGI-DYESRHJHSA-N 2 1 356.514 3.188 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000105476732 495365421 /nfs/dbraw/zinc/36/54/21/495365421.db2.gz OQZKZGBREWEQRU-UHFFFAOYSA-N 2 1 367.537 3.383 20 0 FGADMP Cc1nccn1CCC[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000136295927 495370093 /nfs/dbraw/zinc/37/00/93/495370093.db2.gz FVKXQKLOCYKTGS-UHFFFAOYSA-N 2 1 366.465 3.237 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000136295927 495370097 /nfs/dbraw/zinc/37/00/97/495370097.db2.gz FVKXQKLOCYKTGS-UHFFFAOYSA-N 2 1 366.465 3.237 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000136295927 495370102 /nfs/dbraw/zinc/37/01/02/495370102.db2.gz FVKXQKLOCYKTGS-UHFFFAOYSA-N 2 1 366.465 3.237 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCn2ccnc2C)cc1 ZINC000130363895 495380873 /nfs/dbraw/zinc/38/08/73/495380873.db2.gz RFGCSPFCUUCGMI-IAGOWNOFSA-N 2 1 356.514 3.342 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130363895 495380875 /nfs/dbraw/zinc/38/08/75/495380875.db2.gz RFGCSPFCUUCGMI-IAGOWNOFSA-N 2 1 356.514 3.342 20 0 FGADMP CCNC(=O)CCN1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136944361 495411398 /nfs/dbraw/zinc/41/13/98/495411398.db2.gz DAIAQOYJFHOUIU-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CCNC(=O)CC[NH+]1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136944361 495411401 /nfs/dbraw/zinc/41/14/01/495411401.db2.gz DAIAQOYJFHOUIU-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CCNC(=O)CC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136944361 495411404 /nfs/dbraw/zinc/41/14/04/495411404.db2.gz DAIAQOYJFHOUIU-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CCNC(=O)CC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136944361 495411406 /nfs/dbraw/zinc/41/14/06/495411406.db2.gz DAIAQOYJFHOUIU-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000580533177 505780779 /nfs/dbraw/zinc/78/07/79/505780779.db2.gz NMMNFWSVSXSCMG-HXUWFJFHSA-N 2 1 368.525 3.355 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513835 495459541 /nfs/dbraw/zinc/45/95/41/495459541.db2.gz ZUBJBAJQAGEWLB-TZIWHRDSSA-N 2 1 370.541 3.140 20 0 FGADMP O=C(C[C@H]1CC[NH2+]C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000130880544 495460471 /nfs/dbraw/zinc/46/04/71/495460471.db2.gz GXLRZFMDVNLEQG-HXUWFJFHSA-N 2 1 355.526 3.033 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000125620251 495472570 /nfs/dbraw/zinc/47/25/70/495472570.db2.gz KPIPFJHJFHXLFJ-HDYDNRTBSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910241 495485428 /nfs/dbraw/zinc/48/54/28/495485428.db2.gz ZJZVKPQTTGIBOY-IBGZPJMESA-N 2 1 371.550 3.208 20 0 FGADMP C[N@@H+](CC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910241 495485429 /nfs/dbraw/zinc/48/54/29/495485429.db2.gz ZJZVKPQTTGIBOY-IBGZPJMESA-N 2 1 371.550 3.208 20 0 FGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910241 495485431 /nfs/dbraw/zinc/48/54/31/495485431.db2.gz ZJZVKPQTTGIBOY-IBGZPJMESA-N 2 1 371.550 3.208 20 0 FGADMP C[NH+](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccccc1 ZINC000139910241 495485436 /nfs/dbraw/zinc/48/54/36/495485436.db2.gz ZJZVKPQTTGIBOY-IBGZPJMESA-N 2 1 371.550 3.208 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000107368158 495525984 /nfs/dbraw/zinc/52/59/84/495525984.db2.gz BHSAIHKHPZIDBZ-KRWDZBQOSA-N 2 1 358.917 3.100 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374048 495536753 /nfs/dbraw/zinc/53/67/53/495536753.db2.gz MHUNPQIFYCLXTF-FXAWDEMLSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374108 495537359 /nfs/dbraw/zinc/53/73/59/495537359.db2.gz MHUNPQIFYCLXTF-XLIONFOSSA-N 2 1 372.557 3.200 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000173475081 495547089 /nfs/dbraw/zinc/54/70/89/495547089.db2.gz SUTGNMUWDWNZIP-UHFFFAOYSA-N 2 1 373.501 3.042 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000158598835 495547224 /nfs/dbraw/zinc/54/72/24/495547224.db2.gz RKKZLBJTKHOVOA-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000158665731 495562278 /nfs/dbraw/zinc/56/22/78/495562278.db2.gz UVDSLDFJEMWKIC-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000182448255 495568910 /nfs/dbraw/zinc/56/89/10/495568910.db2.gz JZLOWUMBJZQOAY-ZRCGQRJVSA-N 2 1 374.569 3.191 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@@H+]1C ZINC000154317183 495578837 /nfs/dbraw/zinc/57/88/37/495578837.db2.gz QZQBJNLBFRCULS-XLIONFOSSA-N 2 1 368.525 3.378 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@H+]1C ZINC000154317183 495578845 /nfs/dbraw/zinc/57/88/45/495578845.db2.gz QZQBJNLBFRCULS-XLIONFOSSA-N 2 1 368.525 3.378 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000158827784 495596486 /nfs/dbraw/zinc/59/64/86/495596486.db2.gz AXXKBVPRGKZASM-SZOBAZRNSA-N 2 1 368.521 3.352 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182575389 495622642 /nfs/dbraw/zinc/62/26/42/495622642.db2.gz PTWXBUUHRQSWDT-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2CC[NH2+]CC2)c1 ZINC000568853317 505793552 /nfs/dbraw/zinc/79/35/52/505793552.db2.gz DCOOPNCGZNQGHS-UHFFFAOYSA-N 2 1 355.486 3.176 20 0 FGADMP Cc1ccc(OCCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC000182611526 495636485 /nfs/dbraw/zinc/63/64/85/495636485.db2.gz PYXZSCUBCMQWIZ-CBQGHPETSA-N 2 1 371.569 3.315 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000176431288 495647874 /nfs/dbraw/zinc/64/78/74/495647874.db2.gz LNOSDIMEONXBTI-AHRSYUTCSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000176431288 495647878 /nfs/dbraw/zinc/64/78/78/495647878.db2.gz LNOSDIMEONXBTI-AHRSYUTCSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000176431288 495647882 /nfs/dbraw/zinc/64/78/82/495647882.db2.gz LNOSDIMEONXBTI-AHRSYUTCSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000176431288 495647884 /nfs/dbraw/zinc/64/78/84/495647884.db2.gz LNOSDIMEONXBTI-AHRSYUTCSA-N 2 1 361.505 3.121 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179581241 495648394 /nfs/dbraw/zinc/64/83/94/495648394.db2.gz IIAPHRFXRSLOIY-SFTDATJTSA-N 2 1 372.557 3.195 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1c(Cl)cccc1Cl ZINC000568859375 505795256 /nfs/dbraw/zinc/79/52/56/505795256.db2.gz JJEJKPXFDLRBDM-YMAMQOFZSA-N 2 1 373.324 3.340 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000182690381 495664735 /nfs/dbraw/zinc/66/47/35/495664735.db2.gz FDOKNYURWORPRV-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182709487 495672512 /nfs/dbraw/zinc/67/25/12/495672512.db2.gz IFVPFCABORCSOT-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674065 495674252 /nfs/dbraw/zinc/67/42/52/495674252.db2.gz NHUFSAYUFYLADB-WIYYLYMNSA-N 2 1 357.542 3.196 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[NH+](C)C2)c1 ZINC000170979841 495675543 /nfs/dbraw/zinc/67/55/43/495675543.db2.gz AISMWVYUOGWPGJ-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000170979841 495675547 /nfs/dbraw/zinc/67/55/47/495675547.db2.gz AISMWVYUOGWPGJ-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000170979841 495675550 /nfs/dbraw/zinc/67/55/50/495675550.db2.gz AISMWVYUOGWPGJ-NRFANRHFSA-N 2 1 365.521 3.390 20 0 FGADMP CCCN(C(=O)NC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171003263 495684365 /nfs/dbraw/zinc/68/43/65/495684365.db2.gz GEVQVXXZGJXEGX-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737195 495703649 /nfs/dbraw/zinc/70/36/49/495703649.db2.gz KETQTZKRUOLAPC-UYAOXDASSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737195 495703656 /nfs/dbraw/zinc/70/36/56/495703656.db2.gz KETQTZKRUOLAPC-UYAOXDASSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737237 495703758 /nfs/dbraw/zinc/70/37/58/495703758.db2.gz KETQTZKRUOLAPC-QUCCMNQESA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737237 495703762 /nfs/dbraw/zinc/70/37/62/495703762.db2.gz KETQTZKRUOLAPC-QUCCMNQESA-N 2 1 369.553 3.420 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000150995026 495705326 /nfs/dbraw/zinc/70/53/26/495705326.db2.gz XDUSKTHHAVWKIE-UHFFFAOYSA-N 2 1 367.484 3.025 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000182853329 495728941 /nfs/dbraw/zinc/72/89/41/495728941.db2.gz UDFWIQALGNLCOQ-GBESFXJTSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000182853329 495728943 /nfs/dbraw/zinc/72/89/43/495728943.db2.gz UDFWIQALGNLCOQ-GBESFXJTSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000182853329 495728953 /nfs/dbraw/zinc/72/89/53/495728953.db2.gz UDFWIQALGNLCOQ-GBESFXJTSA-N 2 1 364.578 3.013 20 0 FGADMP c1oc(-c2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955320 495762771 /nfs/dbraw/zinc/76/27/71/495762771.db2.gz OUGHEBAGSKNZIT-UHFFFAOYSA-N 2 1 355.482 3.418 20 0 FGADMP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182937340 495765244 /nfs/dbraw/zinc/76/52/44/495765244.db2.gz XUOJHYFMARBGIZ-HKUYNNGSSA-N 2 1 364.578 3.013 20 0 FGADMP COc1ccccc1NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977065 495771612 /nfs/dbraw/zinc/77/16/12/495771612.db2.gz WJXQPOJADSFCTJ-LJQANCHMSA-N 2 1 367.493 3.088 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1 ZINC000183137656 495850695 /nfs/dbraw/zinc/85/06/95/495850695.db2.gz CNTAZUWFLSHOAT-HNNXBMFYSA-N 2 1 366.440 3.287 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000183140525 495851423 /nfs/dbraw/zinc/85/14/23/495851423.db2.gz MYLQWVNYFOFTIN-UONOGXRCSA-N 2 1 353.426 3.155 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCn3cncc3C2)cc1 ZINC000151491012 495856454 /nfs/dbraw/zinc/85/64/54/495856454.db2.gz DIYKEXPKIVBFMU-FUHWJXTLSA-N 2 1 352.482 3.459 20 0 FGADMP Cn1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(-c2cccs2)n1 ZINC000180116285 495863923 /nfs/dbraw/zinc/86/39/23/495863923.db2.gz PQKWZRIEYZHDRQ-UHFFFAOYSA-N 2 1 355.511 3.337 20 0 FGADMP CCN(CC)C(=O)[C@@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000580677074 505811421 /nfs/dbraw/zinc/81/14/21/505811421.db2.gz OAQSQQPHOQRUCH-SJORKVTESA-N 2 1 351.560 3.067 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174345190 495920056 /nfs/dbraw/zinc/92/00/56/495920056.db2.gz LLPSLASGOQCJIF-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP [NH3+]CCCCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000571795288 505816784 /nfs/dbraw/zinc/81/67/84/505816784.db2.gz RIBSJLBZEQOKMK-SFHVURJKSA-N 2 1 357.523 3.093 20 0 FGADMP [NH3+]CCCCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000571795288 505816789 /nfs/dbraw/zinc/81/67/89/505816789.db2.gz RIBSJLBZEQOKMK-SFHVURJKSA-N 2 1 357.523 3.093 20 0 FGADMP Cc1ncsc1CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484462 496080759 /nfs/dbraw/zinc/08/07/59/496080759.db2.gz WQDMEWOUKGIANK-IYBDPMFKSA-N 2 1 351.560 3.205 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000177483910 496080936 /nfs/dbraw/zinc/08/09/36/496080936.db2.gz HRYJOWNMEYGSPK-RTBURBONSA-N 2 1 373.541 3.145 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@@H+]1C ZINC000156063396 496147674 /nfs/dbraw/zinc/14/76/74/496147674.db2.gz QGOOKKIAFTXBNH-CJNGLKHVSA-N 2 1 356.436 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@H+]1C ZINC000156063396 496147677 /nfs/dbraw/zinc/14/76/77/496147677.db2.gz QGOOKKIAFTXBNH-CJNGLKHVSA-N 2 1 356.436 3.142 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000152681763 496224138 /nfs/dbraw/zinc/22/41/38/496224138.db2.gz UVSZMWGZJIXJGP-YNIZLOQISA-N 2 1 364.578 3.154 20 0 FGADMP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)c2O1 ZINC000180994761 496233876 /nfs/dbraw/zinc/23/38/76/496233876.db2.gz RKCASAOZNNPUDE-NRFANRHFSA-N 2 1 366.505 3.257 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582361 496284762 /nfs/dbraw/zinc/28/47/62/496284762.db2.gz NIBMLDWLIRJZPN-XUJVJEKNSA-N 2 1 358.267 3.425 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582361 496284767 /nfs/dbraw/zinc/28/47/67/496284767.db2.gz NIBMLDWLIRJZPN-XUJVJEKNSA-N 2 1 358.267 3.425 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000181294812 496343814 /nfs/dbraw/zinc/34/38/14/496343814.db2.gz DUXVMTUOXQDGQM-QGZVFWFLSA-N 2 1 360.546 3.069 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1F ZINC000153080812 496347060 /nfs/dbraw/zinc/34/70/60/496347060.db2.gz NIAYNGAEPQZUPS-QGZVFWFLSA-N 2 1 371.500 3.433 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181307019 496348308 /nfs/dbraw/zinc/34/83/08/496348308.db2.gz NNLBWYLDKGACHX-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@H]1CCC[N@@H+](C)C1 ZINC000172749542 496415121 /nfs/dbraw/zinc/41/51/21/496415121.db2.gz MLVBDLNIHYSUML-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@H]1CCC[NH+](C)C1 ZINC000172749542 496415126 /nfs/dbraw/zinc/41/51/26/496415126.db2.gz MLVBDLNIHYSUML-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CCC[NH+](C)C1 ZINC000172749542 496415128 /nfs/dbraw/zinc/41/51/28/496415128.db2.gz MLVBDLNIHYSUML-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000157499639 496490534 /nfs/dbraw/zinc/49/05/34/496490534.db2.gz COLFHHFXAXQJEO-KRWDZBQOSA-N 2 1 371.529 3.169 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000163311933 496496243 /nfs/dbraw/zinc/49/62/43/496496243.db2.gz OGCZRAAFLSWRBJ-OAHLLOKOSA-N 2 1 353.913 3.375 20 0 FGADMP Cc1csc(=O)n1CCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178654376 496530516 /nfs/dbraw/zinc/53/05/16/496530516.db2.gz IIEAAIRLCAMQQA-UXHICEINSA-N 2 1 371.550 3.205 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056062 496535509 /nfs/dbraw/zinc/53/55/09/496535509.db2.gz RARLHVRUCOGHCB-SJLPKXTDSA-N 2 1 363.521 3.130 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000178704885 496546226 /nfs/dbraw/zinc/54/62/26/496546226.db2.gz XFPPTUUOAKAOHX-DLBZAZTESA-N 2 1 367.497 3.432 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(CC(F)F)CC2)cc1F ZINC000153713520 496555022 /nfs/dbraw/zinc/55/50/22/496555022.db2.gz ALQXTXFFOAJVPY-UHFFFAOYSA-N 2 1 352.404 3.139 20 0 FGADMP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178759399 496561806 /nfs/dbraw/zinc/56/18/06/496561806.db2.gz HTDHCZSPANWMPK-CYBMUJFWSA-N 2 1 372.340 3.444 20 0 FGADMP CC[C@@](C)([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(C)cs1 ZINC000184987595 496613254 /nfs/dbraw/zinc/61/32/54/496613254.db2.gz UHEDSKITQQVOSI-FXAWDEMLSA-N 2 1 374.554 3.085 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000164881505 496637054 /nfs/dbraw/zinc/63/70/54/496637054.db2.gz JOCKHNSGGAWINE-BEFAXECRSA-N 2 1 371.550 3.434 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)[C@@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000164881505 496637058 /nfs/dbraw/zinc/63/70/58/496637058.db2.gz JOCKHNSGGAWINE-BEFAXECRSA-N 2 1 371.550 3.434 20 0 FGADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185086375 496653211 /nfs/dbraw/zinc/65/32/11/496653211.db2.gz VDODVLHBWNBBJS-UTKZUKDTSA-N 2 1 365.525 3.032 20 0 FGADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1ccccc1F ZINC000154044732 496665639 /nfs/dbraw/zinc/66/56/39/496665639.db2.gz IMDUCPXATGRDLI-FQEVSTJZSA-N 2 1 359.489 3.129 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000154067493 496672530 /nfs/dbraw/zinc/67/25/30/496672530.db2.gz FAVWRAXRJDCPAT-WBVHZDCISA-N 2 1 366.933 3.469 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166147543 496678209 /nfs/dbraw/zinc/67/82/09/496678209.db2.gz NLBFGUNKTLZAHL-IFMALSPDSA-N 2 1 359.558 3.162 20 0 FGADMP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154118272 496689011 /nfs/dbraw/zinc/68/90/11/496689011.db2.gz OFHHCVFETUUOQO-WBVHZDCISA-N 2 1 356.432 3.027 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1OC ZINC000182264815 496723154 /nfs/dbraw/zinc/72/31/54/496723154.db2.gz FQTSRNKBWJZBKU-UZLBHIALSA-N 2 1 370.493 3.121 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccc(O)c3)cc2)CC1 ZINC000194853946 496736484 /nfs/dbraw/zinc/73/64/84/496736484.db2.gz NICGFOUNOLFLPM-GOSISDBHSA-N 2 1 353.510 3.381 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000246989864 496744241 /nfs/dbraw/zinc/74/42/41/496744241.db2.gz OAWBYIOBMRLNBC-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000246989864 496744246 /nfs/dbraw/zinc/74/42/46/496744246.db2.gz OAWBYIOBMRLNBC-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000246989864 496744249 /nfs/dbraw/zinc/74/42/49/496744249.db2.gz OAWBYIOBMRLNBC-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273220156 496744304 /nfs/dbraw/zinc/74/43/04/496744304.db2.gz MWTNRTYMDRAAIL-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273220156 496744308 /nfs/dbraw/zinc/74/43/08/496744308.db2.gz MWTNRTYMDRAAIL-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000247054930 496764039 /nfs/dbraw/zinc/76/40/39/496764039.db2.gz PDRMLQNCGVYKHP-CVEARBPZSA-N 2 1 350.503 3.483 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247060666 496767480 /nfs/dbraw/zinc/76/74/80/496767480.db2.gz ZSLRZLUKUXEOEW-AYBZRNKSSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247060666 496767485 /nfs/dbraw/zinc/76/74/85/496767485.db2.gz ZSLRZLUKUXEOEW-AYBZRNKSSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247060666 496767488 /nfs/dbraw/zinc/76/74/88/496767488.db2.gz ZSLRZLUKUXEOEW-AYBZRNKSSA-N 2 1 364.917 3.028 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000247064558 496768469 /nfs/dbraw/zinc/76/84/69/496768469.db2.gz NZVOHIGIAFCWNS-GZBFAFLISA-N 2 1 360.420 3.455 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000247064558 496768470 /nfs/dbraw/zinc/76/84/70/496768470.db2.gz NZVOHIGIAFCWNS-GZBFAFLISA-N 2 1 360.420 3.455 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268773972 496781297 /nfs/dbraw/zinc/78/12/97/496781297.db2.gz MTZPEQHXXCIGDN-HLAWJBBLSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268773972 496781302 /nfs/dbraw/zinc/78/13/02/496781302.db2.gz MTZPEQHXXCIGDN-HLAWJBBLSA-N 2 1 365.525 3.088 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000191500494 496785922 /nfs/dbraw/zinc/78/59/22/496785922.db2.gz ACUJMIPSCMIVEI-FQEVSTJZSA-N 2 1 354.498 3.177 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(=O)NC1CC1)c1ccccc1 ZINC000191500494 496785928 /nfs/dbraw/zinc/78/59/28/496785928.db2.gz ACUJMIPSCMIVEI-FQEVSTJZSA-N 2 1 354.498 3.177 20 0 FGADMP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268791066 496787127 /nfs/dbraw/zinc/78/71/27/496787127.db2.gz DEIIYTXGFJZCRN-MRXNPFEDSA-N 2 1 357.523 3.295 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1OC(F)F ZINC000268856058 496805336 /nfs/dbraw/zinc/80/53/36/496805336.db2.gz CWSKMYZFACVYML-GOEBONIOSA-N 2 1 372.456 3.184 20 0 FGADMP CCOc1ccc([C@@H](CC)[NH2+]CCC[NH+]2CCC(O)CC2)cc1OCC ZINC000268882215 496812552 /nfs/dbraw/zinc/81/25/52/496812552.db2.gz XXOMAGPKLGVTGB-LJQANCHMSA-N 2 1 364.530 3.372 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247285157 496823850 /nfs/dbraw/zinc/82/38/50/496823850.db2.gz TVYBRGABLFVUJL-VBQJREDUSA-N 2 1 365.905 3.092 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000247296245 496827175 /nfs/dbraw/zinc/82/71/75/496827175.db2.gz OIOVBTKAPXQTHH-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000247296245 496827180 /nfs/dbraw/zinc/82/71/80/496827180.db2.gz OIOVBTKAPXQTHH-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247310493 496831596 /nfs/dbraw/zinc/83/15/96/496831596.db2.gz HCOZWWHFXSNNHL-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000247311197 496831825 /nfs/dbraw/zinc/83/18/25/496831825.db2.gz NZVROSPEDQJULC-IRXDYDNUSA-N 2 1 368.949 3.395 20 0 FGADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000247311197 496831831 /nfs/dbraw/zinc/83/18/31/496831831.db2.gz NZVROSPEDQJULC-IRXDYDNUSA-N 2 1 368.949 3.395 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961834 496836236 /nfs/dbraw/zinc/83/62/36/496836236.db2.gz XTCPJGYRICDQOZ-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961834 496836243 /nfs/dbraw/zinc/83/62/43/496836243.db2.gz XTCPJGYRICDQOZ-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000569176271 505869268 /nfs/dbraw/zinc/86/92/68/505869268.db2.gz LXQWRXXMRGXKIB-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247483804 496869632 /nfs/dbraw/zinc/86/96/32/496869632.db2.gz KJXXTEAGOPMMIK-TZIWHRDSSA-N 2 1 365.521 3.318 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000247642951 496898496 /nfs/dbraw/zinc/89/84/96/496898496.db2.gz TXYRFDHEZQQASB-SIKLNZKXSA-N 2 1 369.553 3.340 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)s1 ZINC000247926124 496929259 /nfs/dbraw/zinc/92/92/59/496929259.db2.gz BPTWMKNDWANJLQ-OLZOCXBDSA-N 2 1 361.349 3.398 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H]1c1ccccc1 ZINC000248035723 496945404 /nfs/dbraw/zinc/94/54/04/496945404.db2.gz LESCQYBXQRKXJK-JBACZVJFSA-N 2 1 355.526 3.203 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062705 496950421 /nfs/dbraw/zinc/95/04/21/496950421.db2.gz YXICMSRAEDNDKC-UEXGIBASSA-N 2 1 371.529 3.055 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000195619885 496954304 /nfs/dbraw/zinc/95/43/04/496954304.db2.gz AZLOXXRWVKJCIN-AQNXPRMDSA-N 2 1 366.594 3.308 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000248173205 496968873 /nfs/dbraw/zinc/96/88/73/496968873.db2.gz VEHGNAMLMJJMAP-VQTJNVASSA-N 2 1 357.542 3.230 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000248173205 496968875 /nfs/dbraw/zinc/96/88/75/496968875.db2.gz VEHGNAMLMJJMAP-VQTJNVASSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000248173205 496968876 /nfs/dbraw/zinc/96/88/76/496968876.db2.gz VEHGNAMLMJJMAP-VQTJNVASSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000248173205 496968877 /nfs/dbraw/zinc/96/88/77/496968877.db2.gz VEHGNAMLMJJMAP-VQTJNVASSA-N 2 1 357.542 3.230 20 0 FGADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248420617 497004927 /nfs/dbraw/zinc/00/49/27/497004927.db2.gz XGOGOFZBQIGTSY-HLRQEUIKSA-N 2 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248420617 497004930 /nfs/dbraw/zinc/00/49/30/497004930.db2.gz XGOGOFZBQIGTSY-HLRQEUIKSA-N 3 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248420617 497004932 /nfs/dbraw/zinc/00/49/32/497004932.db2.gz XGOGOFZBQIGTSY-HLRQEUIKSA-N 3 1 352.526 3.328 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCCC4)c2)C1 ZINC000189117823 497014088 /nfs/dbraw/zinc/01/40/88/497014088.db2.gz QVLYGMXRCFMLEL-VQTJNVASSA-N 2 1 355.526 3.196 20 0 FGADMP c1cn(C2CCCC2)nc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569228361 505883527 /nfs/dbraw/zinc/88/35/27/505883527.db2.gz RNECPPHFVCFXKK-PZJWPPBQSA-N 2 1 352.482 3.344 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248737583 497094292 /nfs/dbraw/zinc/09/42/92/497094292.db2.gz XOSCWQMDAUDXDH-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248788001 497104820 /nfs/dbraw/zinc/10/48/20/497104820.db2.gz IMXKNWNOYMPLNX-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000248789078 497105036 /nfs/dbraw/zinc/10/50/36/497105036.db2.gz IOGTYAVMYRGKPC-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000248789078 497105039 /nfs/dbraw/zinc/10/50/39/497105039.db2.gz IOGTYAVMYRGKPC-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000248789078 497105041 /nfs/dbraw/zinc/10/50/41/497105041.db2.gz IOGTYAVMYRGKPC-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP COCCC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCCCC1 ZINC000189398159 497105750 /nfs/dbraw/zinc/10/57/50/497105750.db2.gz PTOHXKSTBUZNCW-NRFANRHFSA-N 2 1 360.542 3.330 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2ccc(C)cn2)cc1F ZINC000580991593 505885726 /nfs/dbraw/zinc/88/57/26/505885726.db2.gz VAPAELATYNVNDR-UHFFFAOYSA-N 2 1 367.428 3.142 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)c3sccc3C[NH+](C)C)c2)CC1 ZINC000274658581 497140165 /nfs/dbraw/zinc/14/01/65/497140165.db2.gz YGBUINXFGWEWQY-UHFFFAOYSA-N 2 1 372.538 3.204 20 0 FGADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000192566723 497151032 /nfs/dbraw/zinc/15/10/32/497151032.db2.gz GLFOXQFKGOBHQS-KRWDZBQOSA-N 2 1 354.498 3.396 20 0 FGADMP Cc1cccc(N2CCC([NH2+]Cc3ccc4c(c3)sc(=O)n4C)CC2)[nH+]1 ZINC000192629174 497168118 /nfs/dbraw/zinc/16/81/18/497168118.db2.gz IPXBEPILYWTYQR-UHFFFAOYSA-N 2 1 368.506 3.062 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccs1 ZINC000274817336 497174434 /nfs/dbraw/zinc/17/44/34/497174434.db2.gz JBHRSOWDULGABM-AOIWGVFYSA-N 2 1 371.550 3.426 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccs1 ZINC000274817336 497174437 /nfs/dbraw/zinc/17/44/37/497174437.db2.gz JBHRSOWDULGABM-AOIWGVFYSA-N 2 1 371.550 3.426 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000278706903 497196246 /nfs/dbraw/zinc/19/62/46/497196246.db2.gz QMQLHMGWROYCSZ-UHFFFAOYSA-N 2 1 353.466 3.135 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000237179589 497201783 /nfs/dbraw/zinc/20/17/83/497201783.db2.gz JSGZEEGSDUGJJE-IAGOWNOFSA-N 2 1 367.493 3.268 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2C[C@H](O)c2cccs2)CC1 ZINC000192754415 497204428 /nfs/dbraw/zinc/20/44/28/497204428.db2.gz SAJPEXBBCWGWOP-MOPGFXCFSA-N 2 1 365.587 3.052 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000237293569 497215867 /nfs/dbraw/zinc/21/58/67/497215867.db2.gz WDZYCBMTFNRXKF-CALCHBBNSA-N 2 1 367.493 3.268 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)c1 ZINC000237293569 497215872 /nfs/dbraw/zinc/21/58/72/497215872.db2.gz WDZYCBMTFNRXKF-CALCHBBNSA-N 2 1 367.493 3.268 20 0 FGADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237328373 497221589 /nfs/dbraw/zinc/22/15/89/497221589.db2.gz MSBFXYJGXAIOMJ-YSVLISHTSA-N 2 1 371.447 3.060 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000237348173 497224542 /nfs/dbraw/zinc/22/45/42/497224542.db2.gz JTIBEDAVCPXWLU-GOSISDBHSA-N 2 1 357.542 3.457 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000249584895 497225378 /nfs/dbraw/zinc/22/53/78/497225378.db2.gz OCSPEMRDEAJQHJ-GCJKJVERSA-N 2 1 353.510 3.422 20 0 FGADMP C[C@@H](CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237375595 497227802 /nfs/dbraw/zinc/22/78/02/497227802.db2.gz RXZGIRIITWWKLC-RBUKOAKNSA-N 2 1 357.542 3.135 20 0 FGADMP COCCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917459 497246533 /nfs/dbraw/zinc/24/65/33/497246533.db2.gz SODHEBJMEQHMTI-FQEVSTJZSA-N 2 1 354.494 3.324 20 0 FGADMP COCCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192917459 497246537 /nfs/dbraw/zinc/24/65/37/497246537.db2.gz SODHEBJMEQHMTI-FQEVSTJZSA-N 2 1 354.494 3.324 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192925209 497249107 /nfs/dbraw/zinc/24/91/07/497249107.db2.gz PFRODOWWGLUFMH-IBGZPJMESA-N 2 1 370.493 3.290 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192925209 497249111 /nfs/dbraw/zinc/24/91/11/497249111.db2.gz PFRODOWWGLUFMH-IBGZPJMESA-N 2 1 370.493 3.290 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC000266126182 497262247 /nfs/dbraw/zinc/26/22/47/497262247.db2.gz ZETDGLPQTUJTPA-UHFFFAOYSA-N 2 1 372.513 3.122 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ncc(Br)cc1F ZINC000278955905 497280675 /nfs/dbraw/zinc/28/06/75/497280675.db2.gz LUXNLZBIDLIGAN-GHMZBOCLSA-N 2 1 353.239 3.093 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)nnn1-c1cccc(Cl)c1 ZINC000278976067 497288298 /nfs/dbraw/zinc/28/82/98/497288298.db2.gz OESQEYQQMBLEAI-DZGCQCFKSA-N 2 1 370.888 3.339 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000252645864 497314361 /nfs/dbraw/zinc/31/43/61/497314361.db2.gz CGPFEWXSQWOYOO-IRLDBZIGSA-N 2 1 360.542 3.248 20 0 FGADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@H]1c1ccccc1 ZINC000245408026 497392017 /nfs/dbraw/zinc/39/20/17/497392017.db2.gz FFUIKDPLJVZFBU-DENIHFKCSA-N 2 1 371.569 3.491 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245426029 497399063 /nfs/dbraw/zinc/39/90/63/497399063.db2.gz FMFXOIGJDIRYQY-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000245426029 497399070 /nfs/dbraw/zinc/39/90/70/497399070.db2.gz FMFXOIGJDIRYQY-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000245426029 497399073 /nfs/dbraw/zinc/39/90/73/497399073.db2.gz FMFXOIGJDIRYQY-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000245440537 497407852 /nfs/dbraw/zinc/40/78/52/497407852.db2.gz UPSNTKIHMGUXGS-HZPDHXFCSA-N 2 1 351.922 3.181 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449114 497413379 /nfs/dbraw/zinc/41/33/79/497413379.db2.gz NKLONAQDHHOQRK-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449114 497413384 /nfs/dbraw/zinc/41/33/84/497413384.db2.gz NKLONAQDHHOQRK-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449114 497413389 /nfs/dbraw/zinc/41/33/89/497413389.db2.gz NKLONAQDHHOQRK-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449114 497413393 /nfs/dbraw/zinc/41/33/93/497413393.db2.gz NKLONAQDHHOQRK-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573985 497415907 /nfs/dbraw/zinc/41/59/07/497415907.db2.gz AXSSDISZINDFGF-IOMROCGXSA-N 2 1 351.494 3.103 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261609900 497418647 /nfs/dbraw/zinc/41/86/47/497418647.db2.gz BUOAKXKIJNIQKE-SIKLNZKXSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1 ZINC000261609900 497418653 /nfs/dbraw/zinc/41/86/53/497418653.db2.gz BUOAKXKIJNIQKE-SIKLNZKXSA-N 2 1 357.542 3.318 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261751605 497444073 /nfs/dbraw/zinc/44/40/73/497444073.db2.gz LEAXJNVSTFXBAU-KRWDZBQOSA-N 2 1 363.303 3.114 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261751605 497444078 /nfs/dbraw/zinc/44/40/78/497444078.db2.gz LEAXJNVSTFXBAU-KRWDZBQOSA-N 2 1 363.303 3.114 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261934863 497478584 /nfs/dbraw/zinc/47/85/84/497478584.db2.gz WQRJGLUOWDDLCU-JBYIUTFZSA-N 2 1 365.521 3.481 20 0 FGADMP Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(-c2cccnc2)n1 ZINC000279604694 497484539 /nfs/dbraw/zinc/48/45/39/497484539.db2.gz DXTOUFUTEDPAES-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2cccnc2)n1 ZINC000279604694 497484544 /nfs/dbraw/zinc/48/45/44/497484544.db2.gz DXTOUFUTEDPAES-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2cccnc2)n1 ZINC000279604694 497484550 /nfs/dbraw/zinc/48/45/50/497484550.db2.gz DXTOUFUTEDPAES-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2cccnc2)n1 ZINC000279604694 497484554 /nfs/dbraw/zinc/48/45/54/497484554.db2.gz DXTOUFUTEDPAES-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1OC1CCCC1 ZINC000262025507 497495382 /nfs/dbraw/zinc/49/53/82/497495382.db2.gz WYYWMLVAEBIGQO-VAMGGRTRSA-N 2 1 374.525 3.263 20 0 FGADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000193841386 497498475 /nfs/dbraw/zinc/49/84/75/497498475.db2.gz STWQELQPCPLYBI-UHFFFAOYSA-N 2 1 352.567 3.203 20 0 FGADMP COCCC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245681732 497499803 /nfs/dbraw/zinc/49/98/03/497499803.db2.gz JADJUNCHMAJPTJ-WBDAEOGXSA-N 2 1 371.569 3.273 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCS2 ZINC000276200187 497519580 /nfs/dbraw/zinc/51/95/80/497519580.db2.gz YOQZBVIQYGISIY-QRVBRYPASA-N 2 1 362.539 3.200 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262181324 497521195 /nfs/dbraw/zinc/52/11/95/497521195.db2.gz IRSUSEBMMQVUNX-HBUWYVDXSA-N 2 1 367.896 3.120 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(F)cn2)CC1 ZINC000276291804 497537612 /nfs/dbraw/zinc/53/76/12/497537612.db2.gz VQNHXWAWYJRBGU-OAHLLOKOSA-N 2 1 360.452 3.353 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245877410 497557568 /nfs/dbraw/zinc/55/75/68/497557568.db2.gz IRZJVNOSULJCQF-WTGUMLROSA-N 2 1 364.578 3.013 20 0 FGADMP c1c[nH]c([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462435 497558487 /nfs/dbraw/zinc/55/84/87/497558487.db2.gz VMKPBDYVCGKNOD-RTBURBONSA-N 2 1 370.545 3.362 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000245897351 497563445 /nfs/dbraw/zinc/56/34/45/497563445.db2.gz NHFWUEMQXFIWAL-KJJMTIBFSA-N 2 1 371.569 3.158 20 0 FGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1C ZINC000279861886 497567709 /nfs/dbraw/zinc/56/77/09/497567709.db2.gz JAMLPYJMCGXVKW-HFSMHLIXSA-N 2 1 358.526 3.261 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656034 497592797 /nfs/dbraw/zinc/59/27/97/497592797.db2.gz MIMUULQJDLLERD-NQIIRXRSSA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000262656034 497592801 /nfs/dbraw/zinc/59/28/01/497592801.db2.gz MIMUULQJDLLERD-NQIIRXRSSA-N 2 1 351.494 3.118 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000262657850 497593279 /nfs/dbraw/zinc/59/32/79/497593279.db2.gz VRIZSFKEYWYDGX-FPOVZHCZSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000262681449 497599647 /nfs/dbraw/zinc/59/96/47/497599647.db2.gz XMSNDLVLWYYYKM-IRFPFTSISA-N 2 1 369.553 3.455 20 0 FGADMP C[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000262683643 497599792 /nfs/dbraw/zinc/59/97/92/497599792.db2.gz ZMVYGXUBSUSSEE-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100551 497621492 /nfs/dbraw/zinc/62/14/92/497621492.db2.gz JFIKMAMSFNIGDP-KNQAVFIVSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100551 497621499 /nfs/dbraw/zinc/62/14/99/497621499.db2.gz JFIKMAMSFNIGDP-KNQAVFIVSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100551 497621508 /nfs/dbraw/zinc/62/15/08/497621508.db2.gz JFIKMAMSFNIGDP-KNQAVFIVSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100551 497621513 /nfs/dbraw/zinc/62/15/13/497621513.db2.gz JFIKMAMSFNIGDP-KNQAVFIVSA-N 2 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100551 497621519 /nfs/dbraw/zinc/62/15/19/497621519.db2.gz JFIKMAMSFNIGDP-KNQAVFIVSA-N 2 1 370.585 3.133 20 0 FGADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262803828 497624998 /nfs/dbraw/zinc/62/49/98/497624998.db2.gz SADPGGGOMOHIBL-ZWDAVXSWSA-N 2 1 373.541 3.390 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000246148949 497638493 /nfs/dbraw/zinc/63/84/93/497638493.db2.gz KCJBFWJDCRQLKO-JBACZVJFSA-N 2 1 374.573 3.064 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000262928638 497657961 /nfs/dbraw/zinc/65/79/61/497657961.db2.gz SMEICFMDJSKYNS-JMUQELJHSA-N 2 1 365.521 3.372 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194425413 497663209 /nfs/dbraw/zinc/66/32/09/497663209.db2.gz SGQQWFWVDGBHEA-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317916 497693212 /nfs/dbraw/zinc/69/32/12/497693212.db2.gz MQEZZGARMJJWIN-MISYRCLQSA-N 2 1 360.546 3.051 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191079932 497702524 /nfs/dbraw/zinc/70/25/24/497702524.db2.gz LTLKFTPHVGYGHL-UYAOXDASSA-N 2 1 362.562 3.153 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191079932 497702529 /nfs/dbraw/zinc/70/25/29/497702529.db2.gz LTLKFTPHVGYGHL-UYAOXDASSA-N 2 1 362.562 3.153 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000246347847 497703962 /nfs/dbraw/zinc/70/39/62/497703962.db2.gz OWKCAFFNQPLXPC-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2sccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000268224081 497704989 /nfs/dbraw/zinc/70/49/89/497704989.db2.gz QZECDHRFPNVMJN-YJBOKZPZSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000268224081 497704996 /nfs/dbraw/zinc/70/49/96/497704996.db2.gz QZECDHRFPNVMJN-YJBOKZPZSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cc2)C1 ZINC000263122453 497710601 /nfs/dbraw/zinc/71/06/01/497710601.db2.gz BAWCILLNFXKSPI-OZOXKJRCSA-N 2 1 359.514 3.253 20 0 FGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272724511 497713862 /nfs/dbraw/zinc/71/38/62/497713862.db2.gz FYFJLKKTGXWGRQ-GDBMZVCRSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272724511 497713867 /nfs/dbraw/zinc/71/38/67/497713867.db2.gz FYFJLKKTGXWGRQ-GDBMZVCRSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263173542 497724233 /nfs/dbraw/zinc/72/42/33/497724233.db2.gz GAOHCAHYCPELCV-RPUPUWCGSA-N 2 1 357.542 3.406 20 0 FGADMP C[C@H](c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000277050105 497727315 /nfs/dbraw/zinc/72/73/15/497727315.db2.gz IGJSYQRDJBZVFQ-XLIONFOSSA-N 2 1 374.529 3.028 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000246422221 497730092 /nfs/dbraw/zinc/73/00/92/497730092.db2.gz SPJOMVMBQOTPEC-WDSOQIARSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000246432721 497731998 /nfs/dbraw/zinc/73/19/98/497731998.db2.gz MTTVVBYDNGVZKK-NRSPTQNISA-N 2 1 372.557 3.195 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246454647 497740077 /nfs/dbraw/zinc/74/00/77/497740077.db2.gz ORVYGNRQLVUBOV-RXVVDRJESA-N 2 1 374.573 3.400 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000246568615 497777074 /nfs/dbraw/zinc/77/70/74/497777074.db2.gz ZHLNWZSVOMCGPL-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000246568615 497777076 /nfs/dbraw/zinc/77/70/76/497777076.db2.gz ZHLNWZSVOMCGPL-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000246568615 497777081 /nfs/dbraw/zinc/77/70/81/497777081.db2.gz ZHLNWZSVOMCGPL-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246590594 497783327 /nfs/dbraw/zinc/78/33/27/497783327.db2.gz OABUGFBPEZOOIS-KBAYOESNSA-N 2 1 372.538 3.364 20 0 FGADMP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(OC)c1OC ZINC000246883664 497818517 /nfs/dbraw/zinc/81/85/17/497818517.db2.gz TVLVYLPKVJRYNL-MAUKXSAKSA-N 2 1 360.498 3.161 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000246901108 497819604 /nfs/dbraw/zinc/81/96/04/497819604.db2.gz FHXRWMNIMCRFGO-QZTJIDSGSA-N 2 1 364.530 3.491 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000364279245 497877518 /nfs/dbraw/zinc/87/75/18/497877518.db2.gz MAQMOMUDWPPGLI-UHFFFAOYSA-N 2 1 369.962 3.166 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296396 497885046 /nfs/dbraw/zinc/88/50/46/497885046.db2.gz BWUBIUZTEQNGLV-RBBKRZOGSA-N 2 1 361.493 3.358 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000299665239 497885949 /nfs/dbraw/zinc/88/59/49/497885949.db2.gz RGVSSYWLRQRFLV-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000364367820 497923796 /nfs/dbraw/zinc/92/37/96/497923796.db2.gz FOMRLXXEXHAEAX-FQEVSTJZSA-N 2 1 352.482 3.020 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000364367820 497923804 /nfs/dbraw/zinc/92/38/04/497923804.db2.gz FOMRLXXEXHAEAX-FQEVSTJZSA-N 2 1 352.482 3.020 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289146845 498034891 /nfs/dbraw/zinc/03/48/91/498034891.db2.gz FYZDSRTXNQWECB-HKUYNNGSSA-N 2 1 370.497 3.471 20 0 FGADMP Cc1cccc(NC2CC[NH+](CCC(=O)Nc3ccccc3F)CC2)[nH+]1 ZINC000364594249 498041574 /nfs/dbraw/zinc/04/15/74/498041574.db2.gz FJVRNMDHXVZXSI-UHFFFAOYSA-N 2 1 356.445 3.434 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000289326304 498106996 /nfs/dbraw/zinc/10/69/96/498106996.db2.gz VDJAFPAQDIAIKS-SFHVURJKSA-N 2 1 370.472 3.487 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000572486953 505981514 /nfs/dbraw/zinc/98/15/14/505981514.db2.gz QMLJUVFSONDCEB-RXVVDRJESA-N 2 1 357.542 3.232 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000364755918 498129865 /nfs/dbraw/zinc/12/98/65/498129865.db2.gz CQNGTZNCKLYXSM-IBGZPJMESA-N 2 1 373.545 3.227 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578627868 505984545 /nfs/dbraw/zinc/98/45/45/505984545.db2.gz HJNRCUDGLQNGBX-KZNAEPCWSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578627868 505984549 /nfs/dbraw/zinc/98/45/49/505984549.db2.gz HJNRCUDGLQNGBX-KZNAEPCWSA-N 2 1 367.896 3.261 20 0 FGADMP Cc1ccncc1CCCN1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000289428750 498142342 /nfs/dbraw/zinc/14/23/42/498142342.db2.gz VKDVGGBVIPYWJJ-UHFFFAOYSA-N 3 1 366.553 3.072 20 0 FGADMP Cc1ccncc1CCCN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000289428750 498142345 /nfs/dbraw/zinc/14/23/45/498142345.db2.gz VKDVGGBVIPYWJJ-UHFFFAOYSA-N 3 1 366.553 3.072 20 0 FGADMP Cc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000575632607 505986400 /nfs/dbraw/zinc/98/64/00/505986400.db2.gz IARFZOGMMSJZOW-UHFFFAOYSA-N 2 1 358.530 3.119 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285616832 498147872 /nfs/dbraw/zinc/14/78/72/498147872.db2.gz JMAGRZWBBMDALH-XFIJJGBISA-N 2 1 357.542 3.180 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289539873 498185244 /nfs/dbraw/zinc/18/52/44/498185244.db2.gz CLYXORKHXDJWHX-AWEZNQCLSA-N 2 1 372.456 3.169 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289539873 498185249 /nfs/dbraw/zinc/18/52/49/498185249.db2.gz CLYXORKHXDJWHX-AWEZNQCLSA-N 2 1 372.456 3.169 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CCn3ccnc32)c1 ZINC000296763286 498185830 /nfs/dbraw/zinc/18/58/30/498185830.db2.gz KEIIKVYBJXIIMO-RHSMWYFYSA-N 2 1 371.460 3.392 20 0 FGADMP C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@@H]2CCn3ccnc32)c1 ZINC000296763286 498185834 /nfs/dbraw/zinc/18/58/34/498185834.db2.gz KEIIKVYBJXIIMO-RHSMWYFYSA-N 2 1 371.460 3.392 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC1(C)C ZINC000364884395 498190368 /nfs/dbraw/zinc/19/03/68/498190368.db2.gz WTHMPZGBMXTDQD-FQEVSTJZSA-N 2 1 363.590 3.467 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccsc1 ZINC000289557967 498192967 /nfs/dbraw/zinc/19/29/67/498192967.db2.gz ORZMFTSHDVWWOX-MAUKXSAKSA-N 2 1 360.527 3.015 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2cccc3Br)CC1(C)C ZINC000572562972 505998240 /nfs/dbraw/zinc/99/82/40/505998240.db2.gz JYIIMBLWEURGPN-KRWDZBQOSA-N 2 1 366.347 3.052 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)C1 ZINC000301724173 498239358 /nfs/dbraw/zinc/23/93/58/498239358.db2.gz LKEFWSKAYARGMZ-QGZVFWFLSA-N 2 1 373.589 3.288 20 0 FGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301800664 498270802 /nfs/dbraw/zinc/27/08/02/498270802.db2.gz SEBVQPFMBLPCHC-AWEZNQCLSA-N 2 1 365.399 3.412 20 0 FGADMP c1c[nH]c([C@H](NC[C@H]2CCC[N@@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062835 498278724 /nfs/dbraw/zinc/27/87/24/498278724.db2.gz APHVFIKPSXKFLE-NHCUHLMSSA-N 2 1 361.493 3.191 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000360813088 498313234 /nfs/dbraw/zinc/31/32/34/498313234.db2.gz WCMQLUYIZOMXLH-BPQIPLTHSA-N 2 1 365.587 3.462 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141958 498330771 /nfs/dbraw/zinc/33/07/71/498330771.db2.gz ZKIWSSOGPPRJJL-CRAIPNDOSA-N 2 1 353.470 3.123 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141958 498330778 /nfs/dbraw/zinc/33/07/78/498330778.db2.gz ZKIWSSOGPPRJJL-CRAIPNDOSA-N 2 1 353.470 3.123 20 0 FGADMP O=C1Nc2ccccc2C12CCC([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000575860354 506020566 /nfs/dbraw/zinc/02/05/66/506020566.db2.gz DHYQVLHMYLZQDG-IWUUWALWSA-N 2 1 361.489 3.164 20 0 FGADMP COCCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000282028187 498362867 /nfs/dbraw/zinc/36/28/67/498362867.db2.gz STRNTMVCGAYLHI-NRFANRHFSA-N 2 1 365.537 3.157 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000361730534 498422845 /nfs/dbraw/zinc/42/28/45/498422845.db2.gz YDFHIBUEUGGELK-PNFOFYCQSA-N 2 1 370.472 3.418 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000361730808 498423402 /nfs/dbraw/zinc/42/34/02/498423402.db2.gz ZFNAUFODZREQME-LIRRHRJNSA-N 2 1 366.440 3.067 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860732 498478759 /nfs/dbraw/zinc/47/87/59/498478759.db2.gz YMNASNLYAAFDEK-SOLBZPMBSA-N 2 1 372.513 3.245 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860732 498478769 /nfs/dbraw/zinc/47/87/69/498478769.db2.gz YMNASNLYAAFDEK-SOLBZPMBSA-N 2 1 372.513 3.245 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860732 498478779 /nfs/dbraw/zinc/47/87/79/498478779.db2.gz YMNASNLYAAFDEK-SOLBZPMBSA-N 2 1 372.513 3.245 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCCCO3)C1 ZINC000578867788 506040787 /nfs/dbraw/zinc/04/07/87/506040787.db2.gz CDKXFMSHIMKGBM-ZDUSSCGKSA-N 2 1 369.303 3.171 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875210 506042167 /nfs/dbraw/zinc/04/21/67/506042167.db2.gz MTOKIUGZISLAHW-PKOBYXMFSA-N 2 1 363.571 3.211 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875210 506042169 /nfs/dbraw/zinc/04/21/69/506042169.db2.gz MTOKIUGZISLAHW-PKOBYXMFSA-N 2 1 363.571 3.211 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875208 506042678 /nfs/dbraw/zinc/04/26/78/506042678.db2.gz MTOKIUGZISLAHW-IEBWSBKVSA-N 2 1 363.571 3.211 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875208 506042681 /nfs/dbraw/zinc/04/26/81/506042681.db2.gz MTOKIUGZISLAHW-IEBWSBKVSA-N 2 1 363.571 3.211 20 0 FGADMP COc1c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c(C)nn1C ZINC000362385727 498507200 /nfs/dbraw/zinc/50/72/00/498507200.db2.gz GEFAZEXALYMYLX-YOFSQIOKSA-N 2 1 368.525 3.365 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888229 506045714 /nfs/dbraw/zinc/04/57/14/506045714.db2.gz XEYDOLLIFXYKBV-CKEIUWERSA-N 2 1 354.926 3.148 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cc(C)n(C)n2)cc1OC ZINC000282445849 498515444 /nfs/dbraw/zinc/51/54/44/498515444.db2.gz ZOMLIHGLYYARGO-KRWDZBQOSA-N 2 1 374.529 3.309 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917150 506046373 /nfs/dbraw/zinc/04/63/73/506046373.db2.gz WPYCKKHUYAOZLO-LEWJYISDSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917150 506046375 /nfs/dbraw/zinc/04/63/75/506046375.db2.gz WPYCKKHUYAOZLO-LEWJYISDSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917150 506046377 /nfs/dbraw/zinc/04/63/77/506046377.db2.gz WPYCKKHUYAOZLO-LEWJYISDSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917150 506046381 /nfs/dbraw/zinc/04/63/81/506046381.db2.gz WPYCKKHUYAOZLO-LEWJYISDSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917150 506046384 /nfs/dbraw/zinc/04/63/84/506046384.db2.gz WPYCKKHUYAOZLO-LEWJYISDSA-N 2 1 363.590 3.469 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290363435 498524067 /nfs/dbraw/zinc/52/40/67/498524067.db2.gz GYLQFMMQMFHOAY-IBGZPJMESA-N 2 1 353.514 3.048 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369258 498527174 /nfs/dbraw/zinc/52/71/74/498527174.db2.gz NGAJGWOGELXGFG-NVXWUHKLSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290466168 498563813 /nfs/dbraw/zinc/56/38/13/498563813.db2.gz UKOMCKPMPGLIFV-DOTOQJQBSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290466168 498563820 /nfs/dbraw/zinc/56/38/20/498563820.db2.gz UKOMCKPMPGLIFV-DOTOQJQBSA-N 2 1 373.522 3.189 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3CCC=CO3)CC2)c1C ZINC000290488585 498571839 /nfs/dbraw/zinc/57/18/39/498571839.db2.gz OLKOVYBYTFCSAS-LJQANCHMSA-N 2 1 359.514 3.296 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3CCC=CO3)CC2)c1C ZINC000290488585 498571847 /nfs/dbraw/zinc/57/18/47/498571847.db2.gz OLKOVYBYTFCSAS-LJQANCHMSA-N 2 1 359.514 3.296 20 0 FGADMP CCOC1CC(CNc2cc(C)[nH+]c3ccc(F)cc23)([NH+]2CCOCC2)C1 ZINC000302805601 498582751 /nfs/dbraw/zinc/58/27/51/498582751.db2.gz FOAYFQSSTUWNCJ-UHFFFAOYSA-N 2 1 373.472 3.364 20 0 FGADMP C[C@H]1CCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000365753617 498625797 /nfs/dbraw/zinc/62/57/97/498625797.db2.gz NRDKPNUTVPEPRN-ROUUACIJSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061326 498645046 /nfs/dbraw/zinc/64/50/46/498645046.db2.gz XOFQEMXJSNCCCK-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303061326 498645052 /nfs/dbraw/zinc/64/50/52/498645052.db2.gz XOFQEMXJSNCCCK-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000303061326 498645056 /nfs/dbraw/zinc/64/50/56/498645056.db2.gz XOFQEMXJSNCCCK-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809678 506067563 /nfs/dbraw/zinc/06/75/63/506067563.db2.gz PUNPGPMSHAOHLL-SQGPQFPESA-N 2 1 368.949 3.346 20 0 FGADMP C[N@@H+](CCOc1cccc(Cl)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363098890 498647971 /nfs/dbraw/zinc/64/79/71/498647971.db2.gz GOUZYUACKBYUSO-UHFFFAOYSA-N 2 1 352.906 3.294 20 0 FGADMP COc1ccc([C@@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@H+]2C)cc1 ZINC000363136490 498669363 /nfs/dbraw/zinc/66/93/63/498669363.db2.gz JDNDAWOBSLEOJH-VQIMIIECSA-N 2 1 353.470 3.110 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000365852465 498671270 /nfs/dbraw/zinc/67/12/70/498671270.db2.gz JRJXVGVWKJICLZ-UHFFFAOYSA-N 2 1 351.454 3.068 20 0 FGADMP Cn1cc([C@@H]2[C@H](CNCc3csc(C(C)(C)C)n3)CCC[N@H+]2C)cn1 ZINC000363177710 498687777 /nfs/dbraw/zinc/68/77/77/498687777.db2.gz XNIZSYUYQOJCDX-YOEHRIQHSA-N 2 1 361.559 3.347 20 0 FGADMP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3csc(C(C)(C)C)n3)CCCN2C)cn1 ZINC000363177710 498687779 /nfs/dbraw/zinc/68/77/79/498687779.db2.gz XNIZSYUYQOJCDX-YOEHRIQHSA-N 2 1 361.559 3.347 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881829 506074552 /nfs/dbraw/zinc/07/45/52/506074552.db2.gz WWVXKBOSBRXDRW-FPOVZHCZSA-N 2 1 367.493 3.040 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3cccc4ccccc43)CC2)C1 ZINC000363220275 498709139 /nfs/dbraw/zinc/70/91/39/498709139.db2.gz YIBSATGJLKHLIA-NRFANRHFSA-N 2 1 367.537 3.321 20 0 FGADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000303923133 498729266 /nfs/dbraw/zinc/72/92/66/498729266.db2.gz YVNRACPVFFGLCY-IBGZPJMESA-N 2 1 361.917 3.253 20 0 FGADMP FC(F)(F)COCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311213775 498749461 /nfs/dbraw/zinc/74/94/61/498749461.db2.gz LYDUMKGPHJPSOR-QZTJIDSGSA-N 2 1 356.432 3.409 20 0 FGADMP FC(F)(F)COCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311213775 498749465 /nfs/dbraw/zinc/74/94/65/498749465.db2.gz LYDUMKGPHJPSOR-QZTJIDSGSA-N 2 1 356.432 3.409 20 0 FGADMP c1cn2cc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)nc2s1 ZINC000311230433 498750535 /nfs/dbraw/zinc/75/05/35/498750535.db2.gz QXNLWKBXCTVJFY-ROUUACIJSA-N 2 1 352.507 3.350 20 0 FGADMP COC(=O)c1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cc1F ZINC000311600201 498753304 /nfs/dbraw/zinc/75/33/04/498753304.db2.gz GNWIWPCEZQLVNF-MGPUTAFESA-N 2 1 356.441 3.365 20 0 FGADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737013 498763617 /nfs/dbraw/zinc/76/36/17/498763617.db2.gz XEDVMHRWKDIIEY-VXKWHMMOSA-N 2 1 368.521 3.100 20 0 FGADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332831848 498808021 /nfs/dbraw/zinc/80/80/21/498808021.db2.gz UGOXLXSWCMWTBY-OXFYSEKESA-N 2 1 370.541 3.092 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000570115878 506093613 /nfs/dbraw/zinc/09/36/13/506093613.db2.gz WGUPAWPIWICXKU-UHFFFAOYSA-N 2 1 354.542 3.266 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675542 498833472 /nfs/dbraw/zinc/83/34/72/498833472.db2.gz MLFJYKNQOKTVDL-ZTFGCOKTSA-N 2 1 372.431 3.107 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675542 498833479 /nfs/dbraw/zinc/83/34/79/498833479.db2.gz MLFJYKNQOKTVDL-ZTFGCOKTSA-N 2 1 372.431 3.107 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366254512 498843319 /nfs/dbraw/zinc/84/33/19/498843319.db2.gz IHLGJPDIILQBKA-IBGZPJMESA-N 2 1 351.494 3.000 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175851 506109353 /nfs/dbraw/zinc/10/93/53/506109353.db2.gz RDNRXVXFDDIIPH-FHLIZLRMSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175851 506109357 /nfs/dbraw/zinc/10/93/57/506109357.db2.gz RDNRXVXFDDIIPH-FHLIZLRMSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175851 506109360 /nfs/dbraw/zinc/10/93/60/506109360.db2.gz RDNRXVXFDDIIPH-FHLIZLRMSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175851 506109363 /nfs/dbraw/zinc/10/93/63/506109363.db2.gz RDNRXVXFDDIIPH-FHLIZLRMSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175851 506109365 /nfs/dbraw/zinc/10/93/65/506109365.db2.gz RDNRXVXFDDIIPH-FHLIZLRMSA-N 2 1 366.937 3.113 20 0 FGADMP COC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@@H](COC)C3)c2)C1 ZINC000295115217 498914012 /nfs/dbraw/zinc/91/40/12/498914012.db2.gz VWBSNOGPCLPJOP-IAGOWNOFSA-N 2 1 366.933 3.277 20 0 FGADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c2ccccn21 ZINC000582007771 506111565 /nfs/dbraw/zinc/11/15/65/506111565.db2.gz JPAXDHGICMBJMH-KRWDZBQOSA-N 2 1 356.514 3.143 20 0 FGADMP CC(C)c1[nH+]c(CN2CC[N@H+](C3CCOCC3)C[C@@H]2C)c2ccccn21 ZINC000582007771 506111573 /nfs/dbraw/zinc/11/15/73/506111573.db2.gz JPAXDHGICMBJMH-KRWDZBQOSA-N 2 1 356.514 3.143 20 0 FGADMP CCOc1ccc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000363664394 498931874 /nfs/dbraw/zinc/93/18/74/498931874.db2.gz XQBSGNLSTFAGAM-UHFFFAOYSA-N 3 1 359.558 3.371 20 0 FGADMP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000366453455 498934346 /nfs/dbraw/zinc/93/43/46/498934346.db2.gz BEWIBYDWXQGSPL-DYESRHJHSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000366453455 498934348 /nfs/dbraw/zinc/93/43/48/498934348.db2.gz BEWIBYDWXQGSPL-DYESRHJHSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000366453455 498934354 /nfs/dbraw/zinc/93/43/54/498934354.db2.gz BEWIBYDWXQGSPL-DYESRHJHSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000366453455 498934357 /nfs/dbraw/zinc/93/43/57/498934357.db2.gz BEWIBYDWXQGSPL-DYESRHJHSA-N 2 1 373.516 3.265 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000363673546 498936761 /nfs/dbraw/zinc/93/67/61/498936761.db2.gz PXTRQMBHXUTKIB-ULQDDVLXSA-N 2 1 362.518 3.119 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782143 498989263 /nfs/dbraw/zinc/98/92/63/498989263.db2.gz GWBJPOYDVNPCMV-URLQWDBASA-N 2 1 368.510 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782143 498989273 /nfs/dbraw/zinc/98/92/73/498989273.db2.gz GWBJPOYDVNPCMV-URLQWDBASA-N 2 1 368.510 3.067 20 0 FGADMP CN(C)Cc1cc(NC(=O)c2cc(C[NH+]3CCCC3)on2)ccc1Cl ZINC000291571033 498995903 /nfs/dbraw/zinc/99/59/03/498995903.db2.gz XYSSYFXMCYQQFY-UHFFFAOYSA-N 2 1 362.861 3.238 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(-c3cc(C)ccn3)no2)CC1 ZINC000295466287 499026503 /nfs/dbraw/zinc/02/65/03/499026503.db2.gz IIZBMRHNWQYQBO-UHFFFAOYSA-N 2 1 357.502 3.384 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(-c3cc(C)ccn3)no2)CC1 ZINC000295466287 499026509 /nfs/dbraw/zinc/02/65/09/499026509.db2.gz IIZBMRHNWQYQBO-UHFFFAOYSA-N 2 1 357.502 3.384 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579239716 506127418 /nfs/dbraw/zinc/12/74/18/506127418.db2.gz IWFFBLQHSJBLIV-GUYJKWIASA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579239716 506127419 /nfs/dbraw/zinc/12/74/19/506127419.db2.gz IWFFBLQHSJBLIV-GUYJKWIASA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364935 499038400 /nfs/dbraw/zinc/03/84/00/499038400.db2.gz PWKJRDRFVIRWIZ-PXNSSMCTSA-N 2 1 371.550 3.207 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364935 499038407 /nfs/dbraw/zinc/03/84/07/499038407.db2.gz PWKJRDRFVIRWIZ-PXNSSMCTSA-N 2 1 371.550 3.207 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000333826138 499082670 /nfs/dbraw/zinc/08/26/70/499082670.db2.gz LQDKQGDCEHOCNV-WGSAOQKQSA-N 2 1 364.578 3.049 20 0 FGADMP CCC[N@H+](CCc1cnn(CC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367017861 499134401 /nfs/dbraw/zinc/13/44/01/499134401.db2.gz YTFZINSNNDPTCO-UHFFFAOYSA-N 2 1 370.545 3.233 20 0 FGADMP CCC[N@@H+](CCc1cnn(CC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367017861 499134403 /nfs/dbraw/zinc/13/44/03/499134403.db2.gz YTFZINSNNDPTCO-UHFFFAOYSA-N 2 1 370.545 3.233 20 0 FGADMP c1ccc(N2CC[NH+](CCC[NH+]3CCC4(CCOCC4)CC3)CC2)cc1 ZINC000367150269 499154676 /nfs/dbraw/zinc/15/46/76/499154676.db2.gz DAHYJVWLKFPMGS-UHFFFAOYSA-N 2 1 357.542 3.091 20 0 FGADMP COCCC1(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)CCCCC1 ZINC000372686370 499160944 /nfs/dbraw/zinc/16/09/44/499160944.db2.gz XMDLJSOPBUUPMV-FQEVSTJZSA-N 2 1 351.579 3.074 20 0 FGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000372777473 499173914 /nfs/dbraw/zinc/17/39/14/499173914.db2.gz WCBYOJNOFSAZLW-FPOVZHCZSA-N 2 1 353.514 3.104 20 0 FGADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000372777473 499173915 /nfs/dbraw/zinc/17/39/15/499173915.db2.gz WCBYOJNOFSAZLW-FPOVZHCZSA-N 2 1 353.514 3.104 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000367295287 499175262 /nfs/dbraw/zinc/17/52/62/499175262.db2.gz IWFYTSULHVKLAF-GOSISDBHSA-N 2 1 370.541 3.476 20 0 FGADMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370160834 499189861 /nfs/dbraw/zinc/18/98/61/499189861.db2.gz IMSYQSPLMFAODD-CRAIPNDOSA-N 2 1 358.511 3.064 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000370163122 499190352 /nfs/dbraw/zinc/19/03/52/499190352.db2.gz RDRKNGSMPORERC-UYAOXDASSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000370163122 499190355 /nfs/dbraw/zinc/19/03/55/499190355.db2.gz RDRKNGSMPORERC-UYAOXDASSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374459 499190500 /nfs/dbraw/zinc/19/05/00/499190500.db2.gz IOJOCDKWOCDODN-RTWAWAEBSA-N 2 1 355.526 3.127 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000370163821 499190982 /nfs/dbraw/zinc/19/09/82/499190982.db2.gz UHDQTJDSNZZZAB-ACJLOTCBSA-N 2 1 374.510 3.395 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)[C@H](C)c1ccc(F)cc1 ZINC000370167805 499191641 /nfs/dbraw/zinc/19/16/41/499191641.db2.gz VAOIYOLKJKRDFU-WBVHZDCISA-N 2 1 358.461 3.338 20 0 FGADMP CCN(C(=O)CN1CCC[C@H](c2ncc[nH]2)C1)[C@H](C)c1ccc(F)cc1 ZINC000370167805 499191642 /nfs/dbraw/zinc/19/16/42/499191642.db2.gz VAOIYOLKJKRDFU-WBVHZDCISA-N 2 1 358.461 3.338 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287681 506136889 /nfs/dbraw/zinc/13/68/89/506136889.db2.gz ORYRAGOKTRNTBM-OAQYLSRUSA-N 2 1 354.542 3.391 20 0 FGADMP O=C(NCc1nccn1CCCc1ccccc1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000370241267 499201045 /nfs/dbraw/zinc/20/10/45/499201045.db2.gz CFKVDMJUDNRWEO-VQTJNVASSA-N 2 1 366.509 3.007 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000367474989 499203524 /nfs/dbraw/zinc/20/35/24/499203524.db2.gz RHMMACOXIAZOAM-UHFFFAOYSA-N 2 1 368.525 3.460 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000367474989 499203525 /nfs/dbraw/zinc/20/35/25/499203525.db2.gz RHMMACOXIAZOAM-UHFFFAOYSA-N 2 1 368.525 3.460 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCOCC3)C[C@H](C)O1 ZINC000370312779 499208529 /nfs/dbraw/zinc/20/85/29/499208529.db2.gz BZDLGQYDINJHHA-UEXGIBASSA-N 2 1 358.526 3.345 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615370 499235495 /nfs/dbraw/zinc/23/54/95/499235495.db2.gz CDRUWTPRRQXFFL-OTNPHJDUSA-N 2 1 364.505 3.382 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)cc1 ZINC000370615370 499235497 /nfs/dbraw/zinc/23/54/97/499235497.db2.gz CDRUWTPRRQXFFL-OTNPHJDUSA-N 2 1 364.505 3.382 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000370763382 499252343 /nfs/dbraw/zinc/25/23/43/499252343.db2.gz KANMKXICPVYXIT-TUNNFDKTSA-N 2 1 355.526 3.019 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368025675 499256884 /nfs/dbraw/zinc/25/68/84/499256884.db2.gz XWQXAEBGYBRNFO-QYRPDUKASA-N 2 1 371.525 3.058 20 0 FGADMP CC(C)[C@]1(CO)CC[N@@H+](CCCCCC[NH+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000368070601 499261284 /nfs/dbraw/zinc/26/12/84/499261284.db2.gz CWPXRTPQANURFH-SZPZYZBQSA-N 2 1 368.606 3.228 20 0 FGADMP CC(C)[C@]1(CO)CC[NH+](CCCCCC[N@@H+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000368070601 499261287 /nfs/dbraw/zinc/26/12/87/499261287.db2.gz CWPXRTPQANURFH-SZPZYZBQSA-N 2 1 368.606 3.228 20 0 FGADMP CC(C)[C@]1(CO)CC[NH+](CCCCCC[N@H+]2CC[C@](CO)(C(C)C)C2)C1 ZINC000368070601 499261288 /nfs/dbraw/zinc/26/12/88/499261288.db2.gz CWPXRTPQANURFH-SZPZYZBQSA-N 2 1 368.606 3.228 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368124239 499266823 /nfs/dbraw/zinc/26/68/23/499266823.db2.gz QMJCYSNGCDQDLM-IBGZPJMESA-N 2 1 352.482 3.063 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000368249524 499278178 /nfs/dbraw/zinc/27/81/78/499278178.db2.gz LYXYONHQONEEAN-GLOJMNGXSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000368249524 499278179 /nfs/dbraw/zinc/27/81/79/499278179.db2.gz LYXYONHQONEEAN-GLOJMNGXSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000368249524 499278181 /nfs/dbraw/zinc/27/81/81/499278181.db2.gz LYXYONHQONEEAN-GLOJMNGXSA-N 2 1 369.553 3.134 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccccc3Cl)CC2)CC1 ZINC000371085670 499287457 /nfs/dbraw/zinc/28/74/57/499287457.db2.gz JCXPWSDMVRCNPF-UHFFFAOYSA-N 2 1 363.933 3.266 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000371241528 499301374 /nfs/dbraw/zinc/30/13/74/499301374.db2.gz CRXKSABLTPNTSY-SBHAEUEKSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265748 499303843 /nfs/dbraw/zinc/30/38/43/499303843.db2.gz DUPCRYAOGGBPAG-JKSUJKDBSA-N 2 1 353.913 3.500 20 0 FGADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265748 499303845 /nfs/dbraw/zinc/30/38/45/499303845.db2.gz DUPCRYAOGGBPAG-JKSUJKDBSA-N 2 1 353.913 3.500 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000371335901 499312572 /nfs/dbraw/zinc/31/25/72/499312572.db2.gz MKXFRBCDOUYUKE-HSZRJFAPSA-N 2 1 364.537 3.349 20 0 FGADMP C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371338032 499312582 /nfs/dbraw/zinc/31/25/82/499312582.db2.gz YAGGZVRWCFPFFX-JXFKEZNVSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371338032 499312583 /nfs/dbraw/zinc/31/25/83/499312583.db2.gz YAGGZVRWCFPFFX-JXFKEZNVSA-N 2 1 372.944 3.346 20 0 FGADMP CN(C(=O)Nc1cccc2ccccc21)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368660021 499318733 /nfs/dbraw/zinc/31/87/33/499318733.db2.gz BBXKPPHSAIAQPB-LJQANCHMSA-N 2 1 366.509 3.472 20 0 FGADMP C[C@@H](c1c(F)cccc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825617 499336855 /nfs/dbraw/zinc/33/68/55/499336855.db2.gz ONOQQVQPTDVKTF-INIZCTEOSA-N 2 1 351.485 3.375 20 0 FGADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371833730 499369953 /nfs/dbraw/zinc/36/99/53/499369953.db2.gz CWAOPKCGPZLATK-KRWDZBQOSA-N 2 1 362.562 3.383 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]1c1ccccc1 ZINC000371927506 499380644 /nfs/dbraw/zinc/38/06/44/499380644.db2.gz PYISKMXZWJQZAQ-IRLDBZIGSA-N 2 1 350.510 3.464 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000372085453 499397750 /nfs/dbraw/zinc/39/77/50/499397750.db2.gz JAUIEXWAWRKUJW-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000372085453 499397751 /nfs/dbraw/zinc/39/77/51/499397751.db2.gz JAUIEXWAWRKUJW-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000372085453 499397752 /nfs/dbraw/zinc/39/77/52/499397752.db2.gz JAUIEXWAWRKUJW-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000369397073 499399406 /nfs/dbraw/zinc/39/94/06/499399406.db2.gz DBJHLRIKIFIYKT-GOSISDBHSA-N 2 1 372.944 3.489 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC=C(c4cccnc4)CC3)c2cc1C ZINC000369491538 499408552 /nfs/dbraw/zinc/40/85/52/499408552.db2.gz FWAGYEDBNCSEEP-FQEVSTJZSA-N 2 1 362.477 3.198 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000369766951 499441857 /nfs/dbraw/zinc/44/18/57/499441857.db2.gz PACVCTHEXWMSEQ-UNMCSNQZSA-N 2 1 359.558 3.030 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373497192 499473312 /nfs/dbraw/zinc/47/33/12/499473312.db2.gz ZCZGPYUWHPTKDB-ABHNRTSZSA-N 2 1 361.496 3.457 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373497192 499473313 /nfs/dbraw/zinc/47/33/13/499473313.db2.gz ZCZGPYUWHPTKDB-ABHNRTSZSA-N 2 1 361.496 3.457 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182021 499488289 /nfs/dbraw/zinc/48/82/89/499488289.db2.gz FZFQAWXMKBLLNF-QYZOEREBSA-N 2 1 368.562 3.368 20 0 FGADMP C[C@@H]1[NH+](CCC[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375237598 499498012 /nfs/dbraw/zinc/49/80/12/499498012.db2.gz AITNWEVMZYKHFR-OALUTQOASA-N 2 1 350.547 3.159 20 0 FGADMP C[C@H]1[NH+](CCC[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000375237599 499498076 /nfs/dbraw/zinc/49/80/76/499498076.db2.gz AITNWEVMZYKHFR-RTBURBONSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375358009 499510341 /nfs/dbraw/zinc/51/03/41/499510341.db2.gz USQMCCBVMWDUGW-JMJGKCIBSA-N 2 1 355.570 3.455 20 0 FGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000378613273 499537851 /nfs/dbraw/zinc/53/78/51/499537851.db2.gz XJGBPZSCHZVBCH-QGZVFWFLSA-N 2 1 366.509 3.398 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379668319 499542971 /nfs/dbraw/zinc/54/29/71/499542971.db2.gz DHAVUGNEMUMCSP-GOSISDBHSA-N 2 1 353.510 3.089 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231146 506149187 /nfs/dbraw/zinc/14/91/87/506149187.db2.gz UOOWDJOSPRSPMO-ICSRJNTNSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)CC(C)C ZINC000573231146 506149190 /nfs/dbraw/zinc/14/91/90/506149190.db2.gz UOOWDJOSPRSPMO-ICSRJNTNSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@](O)(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000386211032 499548790 /nfs/dbraw/zinc/54/87/90/499548790.db2.gz MVUFLVDQAMEBDI-QGZVFWFLSA-N 2 1 356.432 3.288 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838896 499560904 /nfs/dbraw/zinc/56/09/04/499560904.db2.gz KNUHOUVIZXLCOU-ZKXLYKBJSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@@H+](Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394162700 499561540 /nfs/dbraw/zinc/56/15/40/499561540.db2.gz RBAGHJMCHIGLGU-XYPWUTKMSA-N 2 1 370.278 3.348 20 0 FGADMP C[NH+](Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394162700 499561541 /nfs/dbraw/zinc/56/15/41/499561541.db2.gz RBAGHJMCHIGLGU-XYPWUTKMSA-N 2 1 370.278 3.348 20 0 FGADMP C[NH+](Cc1ccc(I)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394162700 499561542 /nfs/dbraw/zinc/56/15/42/499561542.db2.gz RBAGHJMCHIGLGU-XYPWUTKMSA-N 2 1 370.278 3.348 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000375889057 499565285 /nfs/dbraw/zinc/56/52/85/499565285.db2.gz IXLAWIOVUVXQAM-SFHVURJKSA-N 2 1 351.535 3.018 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C2)CC1 ZINC000375907709 499567531 /nfs/dbraw/zinc/56/75/31/499567531.db2.gz SVBTUQKYRXLNJG-IBGZPJMESA-N 2 1 372.488 3.081 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000377132173 499664773 /nfs/dbraw/zinc/66/47/73/499664773.db2.gz WUYFQUWGTPOBIB-OEXSPLCWSA-N 2 1 358.526 3.357 20 0 FGADMP COc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2c1 ZINC000377246763 499673671 /nfs/dbraw/zinc/67/36/71/499673671.db2.gz WIYXZDRHLZFZMI-MBSDFSHPSA-N 2 1 367.537 3.306 20 0 FGADMP COCCC1(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377617230 499711039 /nfs/dbraw/zinc/71/10/39/499711039.db2.gz AGZRHYNPVCSNOF-HXUWFJFHSA-N 2 1 351.579 3.074 20 0 FGADMP CC(C)n1c2ccccc2nc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000377621152 499711598 /nfs/dbraw/zinc/71/15/98/499711598.db2.gz BAEZFBJMRXOSFT-UHFFFAOYSA-N 2 1 369.557 3.077 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628124 499712593 /nfs/dbraw/zinc/71/25/93/499712593.db2.gz OAJJHLQZHAHPRN-XLIONFOSSA-N 2 1 373.541 3.009 20 0 FGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626791 499712814 /nfs/dbraw/zinc/71/28/14/499712814.db2.gz MQMZPQNQPHKNEA-HSZRJFAPSA-N 2 1 364.537 3.349 20 0 FGADMP CN1CCN([C@H]2CCCC[N@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680483 499719245 /nfs/dbraw/zinc/71/92/45/499719245.db2.gz VQARIAXDSISRBN-FPOVZHCZSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680483 499719246 /nfs/dbraw/zinc/71/92/46/499719246.db2.gz VQARIAXDSISRBN-FPOVZHCZSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680483 499719247 /nfs/dbraw/zinc/71/92/47/499719247.db2.gz VQARIAXDSISRBN-FPOVZHCZSA-N 2 1 359.583 3.119 20 0 FGADMP C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377692528 499720818 /nfs/dbraw/zinc/72/08/18/499720818.db2.gz JBIKCFSZRZLMAY-SFHVURJKSA-N 2 1 358.511 3.490 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1 ZINC000377704077 499722500 /nfs/dbraw/zinc/72/25/00/499722500.db2.gz VTMQCQWGUQEZIA-JJCGOBCMSA-N 2 1 369.509 3.494 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@H]2[C@H]2COCC[C@@]2(C)O)cc1 ZINC000377704077 499722501 /nfs/dbraw/zinc/72/25/01/499722501.db2.gz VTMQCQWGUQEZIA-JJCGOBCMSA-N 2 1 369.509 3.494 20 0 FGADMP O=C1C[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410105 499736321 /nfs/dbraw/zinc/73/63/21/499736321.db2.gz CIMHSECIHBRJES-NHCUHLMSSA-N 2 1 355.526 3.163 20 0 FGADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000411409640 499736477 /nfs/dbraw/zinc/73/64/77/499736477.db2.gz UCKQYLURBWOTDN-VSKRKVRLSA-N 2 1 358.526 3.441 20 0 FGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000377908162 499747353 /nfs/dbraw/zinc/74/73/53/499747353.db2.gz RMJNUNGLSLCDLV-JYAXBFRTSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000377908162 499747354 /nfs/dbraw/zinc/74/73/54/499747354.db2.gz RMJNUNGLSLCDLV-JYAXBFRTSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000377908162 499747355 /nfs/dbraw/zinc/74/73/55/499747355.db2.gz RMJNUNGLSLCDLV-JYAXBFRTSA-N 2 1 357.542 3.401 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N1CCCC[C@H]1C ZINC000411527366 499751363 /nfs/dbraw/zinc/75/13/63/499751363.db2.gz FVXUHXGVZVVYKM-MOXWOTFGSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411527366 499751365 /nfs/dbraw/zinc/75/13/65/499751365.db2.gz FVXUHXGVZVVYKM-MOXWOTFGSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C)c[nH]c2c1 ZINC000378163922 499761523 /nfs/dbraw/zinc/76/15/23/499761523.db2.gz HUAJMBIOEQOWED-FBBABVLZSA-N 2 1 355.526 3.498 20 0 FGADMP CC[C@@]1(CO)CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000411573177 499764806 /nfs/dbraw/zinc/76/48/06/499764806.db2.gz SLTOUKZYXWTMOY-FGZHOGPDSA-N 2 1 368.606 3.372 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000414266840 499773150 /nfs/dbraw/zinc/77/31/50/499773150.db2.gz SHHIIAQRPWEEQL-UHFFFAOYSA-N 2 1 366.571 3.233 20 0 FGADMP OCCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)Cc1ccccn1 ZINC000411663459 499774848 /nfs/dbraw/zinc/77/48/48/499774848.db2.gz PLQLVQRXJWIBRL-UHFFFAOYSA-N 2 1 353.510 3.452 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411665392 499774911 /nfs/dbraw/zinc/77/49/11/499774911.db2.gz KAPMBKGBZBQVTI-FCHUYYIVSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000411665716 499774920 /nfs/dbraw/zinc/77/49/20/499774920.db2.gz BHMGEKKTYADWIG-DENIHFKCSA-N 2 1 358.526 3.442 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000411665395 499775049 /nfs/dbraw/zinc/77/50/49/499775049.db2.gz KAPMBKGBZBQVTI-FGZHOGPDSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414301159 499775410 /nfs/dbraw/zinc/77/54/10/499775410.db2.gz BIRJEKKXYNTKAY-HDICACEKSA-N 2 1 369.557 3.254 20 0 FGADMP CCC[N@H+](Cc1cnc(CC)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414399163 499786700 /nfs/dbraw/zinc/78/67/00/499786700.db2.gz VGOJQLGATRXYHA-UHFFFAOYSA-N 2 1 368.529 3.327 20 0 FGADMP CCC[N@@H+](Cc1cnc(CC)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414399163 499786701 /nfs/dbraw/zinc/78/67/01/499786701.db2.gz VGOJQLGATRXYHA-UHFFFAOYSA-N 2 1 368.529 3.327 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679877 499819857 /nfs/dbraw/zinc/81/98/57/499819857.db2.gz SHCUFWYZGSRQDW-FXAWDEMLSA-N 2 1 357.542 3.318 20 0 FGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695505 499821052 /nfs/dbraw/zinc/82/10/52/499821052.db2.gz OXSFXUFVCQRLLH-SFTDATJTSA-N 2 1 359.558 3.307 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733427 499824433 /nfs/dbraw/zinc/82/44/33/499824433.db2.gz AWMVGQOFBAQLHX-CKEIUWERSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733427 499824435 /nfs/dbraw/zinc/82/44/35/499824435.db2.gz AWMVGQOFBAQLHX-CKEIUWERSA-N 2 1 353.304 3.211 20 0 FGADMP COCC[N@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414756220 499827034 /nfs/dbraw/zinc/82/70/34/499827034.db2.gz JDAPCLQYZXHBBY-STQMWFEESA-N 2 1 361.349 3.347 20 0 FGADMP c1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414766672 499828593 /nfs/dbraw/zinc/82/85/93/499828593.db2.gz RIFZWMXSIUQCCA-NRFANRHFSA-N 2 1 351.498 3.246 20 0 FGADMP c1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414766672 499828595 /nfs/dbraw/zinc/82/85/95/499828595.db2.gz RIFZWMXSIUQCCA-NRFANRHFSA-N 2 1 351.498 3.246 20 0 FGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778557 499830198 /nfs/dbraw/zinc/83/01/98/499830198.db2.gz JBPFWDCOULUABX-UONOGXRCSA-N 2 1 353.304 3.279 20 0 FGADMP COc1sc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784998 499830974 /nfs/dbraw/zinc/83/09/74/499830974.db2.gz RYBAXZSVZVZCJX-VXGBXAGGSA-N 2 1 359.333 3.341 20 0 FGADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414808271 499833223 /nfs/dbraw/zinc/83/32/23/499833223.db2.gz DZLVRTNBFBHXRD-CYBMUJFWSA-N 2 1 366.914 3.443 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414811452 499833428 /nfs/dbraw/zinc/83/34/28/499833428.db2.gz WIOJCUAMNPAIJF-BZNIZROVSA-N 2 1 354.285 3.181 20 0 FGADMP CN(c1ccccc1C[NH2+]CC1([NH3+])CCCCCC1)C1CC[NH+](C)CC1 ZINC000414859758 499839001 /nfs/dbraw/zinc/83/90/01/499839001.db2.gz NOXDACCQBPSNEH-UHFFFAOYSA-N 3 1 358.574 3.358 20 0 FGADMP [NH3+][C@@H](C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccs1)C1CC1 ZINC000414888656 499841899 /nfs/dbraw/zinc/84/18/99/499841899.db2.gz KJLCQNZKZOBVOT-SFHVURJKSA-N 2 1 352.507 3.487 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000414910050 499844024 /nfs/dbraw/zinc/84/40/24/499844024.db2.gz SEFROPUAKCWMRH-JKSUJKDBSA-N 2 1 355.486 3.269 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1OC ZINC000414957218 499848694 /nfs/dbraw/zinc/84/86/94/499848694.db2.gz VXMNHWPAYONEOD-AAEUAGOBSA-N 2 1 357.292 3.087 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415052526 499858553 /nfs/dbraw/zinc/85/85/53/499858553.db2.gz ICWKLKWKWCXDIF-VGOFRKELSA-N 2 1 361.493 3.351 20 0 FGADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CC[NH2+]2)cc1 ZINC000415110785 499864894 /nfs/dbraw/zinc/86/48/94/499864894.db2.gz QQFOCGIRUKBWCQ-LEWJYISDSA-N 2 1 357.542 3.104 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415120876 499866097 /nfs/dbraw/zinc/86/60/97/499866097.db2.gz GLXKGQSGWBEUER-WMZOPIPTSA-N 2 1 355.482 3.086 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415120876 499866099 /nfs/dbraw/zinc/86/60/99/499866099.db2.gz GLXKGQSGWBEUER-WMZOPIPTSA-N 2 1 355.482 3.086 20 0 FGADMP CCc1cccc(F)c1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415139534 499869621 /nfs/dbraw/zinc/86/96/21/499869621.db2.gz XJEVNZKQVSRCRW-UHFFFAOYSA-N 2 1 355.501 3.471 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1)C[C@@H]1CCCCO1 ZINC000415413987 499892428 /nfs/dbraw/zinc/89/24/28/499892428.db2.gz ZHYRQFIMSHCUHJ-QUCCMNQESA-N 2 1 374.529 3.031 20 0 FGADMP C[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413139687 499918695 /nfs/dbraw/zinc/91/86/95/499918695.db2.gz FEPFOJATRQHMOI-SFHVURJKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413139687 499918697 /nfs/dbraw/zinc/91/86/97/499918697.db2.gz FEPFOJATRQHMOI-SFHVURJKSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415911156 499927458 /nfs/dbraw/zinc/92/74/58/499927458.db2.gz XHZWZJARYCUMKQ-KRWDZBQOSA-N 2 1 354.498 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931046 499929872 /nfs/dbraw/zinc/92/98/72/499929872.db2.gz LFPPUUXMLSATFY-UZLBHIALSA-N 2 1 352.482 3.191 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000415933286 499930194 /nfs/dbraw/zinc/93/01/94/499930194.db2.gz PKLKUXPNACMQEE-PMACEKPBSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000415935467 499930511 /nfs/dbraw/zinc/93/05/11/499930511.db2.gz TURMBQKWAQNUOE-UHFFFAOYSA-N 2 1 352.482 3.064 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415946188 499931761 /nfs/dbraw/zinc/93/17/61/499931761.db2.gz SYRMOMUJJRNOHF-HXUWFJFHSA-N 2 1 366.509 3.392 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000415950700 499932511 /nfs/dbraw/zinc/93/25/11/499932511.db2.gz HQUCGBXDEQYGSE-XLIONFOSSA-N 2 1 356.514 3.277 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415963565 499934314 /nfs/dbraw/zinc/93/43/14/499934314.db2.gz VFYITHPVNCCTQV-HXUWFJFHSA-N 2 1 352.482 3.177 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967336 499934992 /nfs/dbraw/zinc/93/49/92/499934992.db2.gz HRIXXRQMULVUIT-LBPRGKRZSA-N 2 1 360.424 3.406 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000415974185 499935910 /nfs/dbraw/zinc/93/59/10/499935910.db2.gz QERVMCLSMOGZHF-JXFKEZNVSA-N 2 1 352.482 3.363 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000415983386 499937078 /nfs/dbraw/zinc/93/70/78/499937078.db2.gz ZKRBLYQBSCDCJF-MRXNPFEDSA-N 2 1 358.511 3.241 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413284441 499937072 /nfs/dbraw/zinc/93/70/72/499937072.db2.gz BGVRTIIAVIXPBL-BBWFWOEESA-N 2 1 361.555 3.435 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413284441 499937074 /nfs/dbraw/zinc/93/70/74/499937074.db2.gz BGVRTIIAVIXPBL-BBWFWOEESA-N 2 1 361.555 3.435 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+](Cc2ccccc2)C1 ZINC000415985017 499937434 /nfs/dbraw/zinc/93/74/34/499937434.db2.gz AGQMJVIEJSRCRR-KRWDZBQOSA-N 2 1 364.493 3.276 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)cc1 ZINC000415984557 499937455 /nfs/dbraw/zinc/93/74/55/499937455.db2.gz PVXWZTDYEZAWLF-GOSISDBHSA-N 2 1 366.509 3.392 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417037810 499955037 /nfs/dbraw/zinc/95/50/37/499955037.db2.gz IRQWWRBXNISLKV-HSALFYBXSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416146355 499957674 /nfs/dbraw/zinc/95/76/74/499957674.db2.gz UIXQIIXIEMRTHB-KNKQGSTJSA-N 2 1 369.553 3.299 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000417225110 500010189 /nfs/dbraw/zinc/01/01/89/500010189.db2.gz RYHXBAYPQWSWGB-SFHVURJKSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000417236579 500014050 /nfs/dbraw/zinc/01/40/50/500014050.db2.gz GDGYHVKFRYAEAZ-QYZOEREBSA-N 2 1 364.578 3.061 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000421380433 500032232 /nfs/dbraw/zinc/03/22/32/500032232.db2.gz VTQVWOGQDJFPSW-UHFFFAOYSA-N 2 1 367.541 3.069 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429312045 500049728 /nfs/dbraw/zinc/04/97/28/500049728.db2.gz ASKZAHGDWDKXMH-OAQYLSRUSA-N 2 1 353.510 3.422 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)CCc3ccccc3)CC2)oc1C ZINC000576511324 506176175 /nfs/dbraw/zinc/17/61/75/506176175.db2.gz IKIHRVNAWOBQRC-NRFANRHFSA-N 2 1 371.525 3.087 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000416824654 500130765 /nfs/dbraw/zinc/13/07/65/500130765.db2.gz ZUKISFMUHFRHSS-RTBURBONSA-N 2 1 366.465 3.035 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094191 500152258 /nfs/dbraw/zinc/15/22/58/500152258.db2.gz GIMJCMJJLMTCAF-CEXWTWQISA-N 2 1 370.541 3.280 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000573359274 506179238 /nfs/dbraw/zinc/17/92/38/506179238.db2.gz SYSBAVPSRKSZNQ-AWEZNQCLSA-N 2 1 357.420 3.356 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000416969115 500169416 /nfs/dbraw/zinc/16/94/16/500169416.db2.gz KEZJBEGZYFNCRP-QZTJIDSGSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416972369 500171707 /nfs/dbraw/zinc/17/17/07/500171707.db2.gz RRVFISJZHDCZKL-RBUKOAKNSA-N 2 1 372.557 3.107 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H]1CC[NH2+]C1 ZINC000416978465 500173107 /nfs/dbraw/zinc/17/31/07/500173107.db2.gz RJJWSCBUZHFYQD-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416976925 500173131 /nfs/dbraw/zinc/17/31/31/500173131.db2.gz OTXACJVUXHHKFK-QGZVFWFLSA-N 2 1 360.546 3.187 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC(C[NH3+])CC3)cc2)C1 ZINC000416987741 500176128 /nfs/dbraw/zinc/17/61/28/500176128.db2.gz KKPMMWJEYJTLMW-HDICACEKSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826281 500180113 /nfs/dbraw/zinc/18/01/13/500180113.db2.gz BZMFAKQSQGUABI-QMMLZNLJSA-N 2 1 366.509 3.039 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000417852951 500184394 /nfs/dbraw/zinc/18/43/94/500184394.db2.gz HSGWBLAMMUUCRP-QILLFSRXSA-N 2 1 355.486 3.058 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000417852486 500184533 /nfs/dbraw/zinc/18/45/33/500184533.db2.gz ZKTRXQMRZQHTIC-ANTGDGSKSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417859736 500185734 /nfs/dbraw/zinc/18/57/34/500185734.db2.gz SNZZBSZXCDYALR-BEFAXECRSA-N 2 1 355.486 3.025 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023735 500186384 /nfs/dbraw/zinc/18/63/84/500186384.db2.gz WJFKWHAWCANJGJ-ICSRJNTNSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H]1C[C@@H](NCc2ccccc2C(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000417932245 500200012 /nfs/dbraw/zinc/20/00/12/500200012.db2.gz MBGUKHOQWUZWCO-FXAWDEMLSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@H]1C[C@@H](NCc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417932245 500200014 /nfs/dbraw/zinc/20/00/14/500200014.db2.gz MBGUKHOQWUZWCO-FXAWDEMLSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983791 500209322 /nfs/dbraw/zinc/20/93/22/500209322.db2.gz CPRAXSFFPLJQRX-XFBWCDHKSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983791 500209323 /nfs/dbraw/zinc/20/93/23/500209323.db2.gz CPRAXSFFPLJQRX-XFBWCDHKSA-N 2 1 370.900 3.039 20 0 FGADMP C[N@H+](CCCOc1ccc(F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425963596 500217297 /nfs/dbraw/zinc/21/72/97/500217297.db2.gz AXTWJMHDWOQSAJ-QFIPXVFZSA-N 2 1 372.484 3.163 20 0 FGADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425963596 500217299 /nfs/dbraw/zinc/21/72/99/500217299.db2.gz AXTWJMHDWOQSAJ-QFIPXVFZSA-N 2 1 372.484 3.163 20 0 FGADMP C[NH+](CCCOc1ccc(F)cc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425963596 500217301 /nfs/dbraw/zinc/21/73/01/500217301.db2.gz AXTWJMHDWOQSAJ-QFIPXVFZSA-N 2 1 372.484 3.163 20 0 FGADMP C[NH+](CCCOc1ccc(F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425963596 500217302 /nfs/dbraw/zinc/21/73/02/500217302.db2.gz AXTWJMHDWOQSAJ-QFIPXVFZSA-N 2 1 372.484 3.163 20 0 FGADMP CC[C@H](C)CNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000422222205 500236644 /nfs/dbraw/zinc/23/66/44/500236644.db2.gz DJKVDBQEQIRNEP-YTQUADARSA-N 2 1 352.567 3.011 20 0 FGADMP CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422244084 500240632 /nfs/dbraw/zinc/24/06/32/500240632.db2.gz JLWXSKWVHLXOHN-XVAXZDLZSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000418177567 500243595 /nfs/dbraw/zinc/24/35/95/500243595.db2.gz HUXIRGXIDDBEIC-RVKKMQEKSA-N 2 1 366.937 3.102 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1 ZINC000418188962 500245896 /nfs/dbraw/zinc/24/58/96/500245896.db2.gz VBUWOQJKUCQJAX-FHLIZLRMSA-N 2 1 366.937 3.163 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418189212 500245959 /nfs/dbraw/zinc/24/59/59/500245959.db2.gz VDCFMKGYQRZPCK-DAWZGUTISA-N 2 1 366.937 3.292 20 0 FGADMP COc1ccccc1-c1nc(C[NH+]2CCC(OCCC[NH3+])CC2)cs1 ZINC000430571677 500256420 /nfs/dbraw/zinc/25/64/20/500256420.db2.gz ILIGMOHALIUSSB-UHFFFAOYSA-N 2 1 361.511 3.149 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(OCC[N@@H+]3CC[C@@H](C)C3)cc2)cc1 ZINC000430606487 500261801 /nfs/dbraw/zinc/26/18/01/500261801.db2.gz VYRDHVFRYKJRTR-UTKZUKDTSA-N 2 1 367.493 3.354 20 0 FGADMP C[NH+]1CCC(CCO)(NCc2ccc(Br)c(Cl)c2)CC1 ZINC000426351738 500263100 /nfs/dbraw/zinc/26/31/00/500263100.db2.gz JKQUWEUOQOKOLU-UHFFFAOYSA-N 2 1 361.711 3.039 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642360 500265345 /nfs/dbraw/zinc/26/53/45/500265345.db2.gz JZLWNKFYZZXLQQ-LAUBAEHRSA-N 2 1 351.494 3.045 20 0 FGADMP CCCc1csc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000426408453 500270378 /nfs/dbraw/zinc/27/03/78/500270378.db2.gz AUPMXCDAVQONMO-HZPDHXFCSA-N 2 1 351.560 3.417 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715117 500273961 /nfs/dbraw/zinc/27/39/61/500273961.db2.gz OBBFILQBORUPCF-GOSISDBHSA-N 2 1 365.587 3.254 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1)[NH+]1CCOCC1 ZINC000430726215 500275956 /nfs/dbraw/zinc/27/59/56/500275956.db2.gz UMZOQAOCNLGVHY-LSTHTHJFSA-N 2 1 359.514 3.316 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418435742 500276542 /nfs/dbraw/zinc/27/65/42/500276542.db2.gz IBGJRGMQWHFIPJ-PKOBYXMFSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC(C)(C)CC[NH3+])cc2)C1 ZINC000422594370 500280059 /nfs/dbraw/zinc/28/00/59/500280059.db2.gz RIJVBJIRPWOJKZ-CALCHBBNSA-N 2 1 360.546 3.091 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418525174 500287255 /nfs/dbraw/zinc/28/72/55/500287255.db2.gz XODPHFWVZBONKY-GHTZIAJQSA-N 2 1 364.578 3.062 20 0 FGADMP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418526426 500287879 /nfs/dbraw/zinc/28/78/79/500287879.db2.gz ZTAODMXVQWDQBF-QUCCMNQESA-N 2 1 372.557 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719925 500289844 /nfs/dbraw/zinc/28/98/44/500289844.db2.gz RQDAAQSGHGNCLW-FNAHDJPLSA-N 2 1 359.558 3.206 20 0 FGADMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746965 500294107 /nfs/dbraw/zinc/29/41/07/500294107.db2.gz XSPXGTPYSXPREL-XPWALMASSA-N 2 1 371.569 3.044 20 0 FGADMP CC[C@H](CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813414 500300905 /nfs/dbraw/zinc/30/09/05/500300905.db2.gz YCQCLGHTELJRDY-SXSPYAJSSA-N 2 1 351.538 3.371 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1)C1C[NH2+]C1 ZINC000422885196 500310739 /nfs/dbraw/zinc/31/07/39/500310739.db2.gz YLICAZQKWIPBMD-LSDHHAIUSA-N 2 1 355.457 3.265 20 0 FGADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422885195 500310920 /nfs/dbraw/zinc/31/09/20/500310920.db2.gz YLICAZQKWIPBMD-HUUCEWRRSA-N 2 1 355.457 3.265 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886520 500311084 /nfs/dbraw/zinc/31/10/84/500311084.db2.gz WTMVVDQJORUJQY-CBQOVEMMSA-N 3 1 357.542 3.344 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422895622 500312300 /nfs/dbraw/zinc/31/23/00/500312300.db2.gz WJPBAXPNNCMMOU-PWRODBHTSA-N 2 1 359.558 3.418 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422893646 500312433 /nfs/dbraw/zinc/31/24/33/500312433.db2.gz QVSQRZGVQXGPDX-BHIFYINESA-N 2 1 359.558 3.418 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000422903685 500313801 /nfs/dbraw/zinc/31/38/01/500313801.db2.gz OVVQRHCCOZLWOS-FSPWUOQZSA-N 2 1 366.383 3.180 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430965014 500314181 /nfs/dbraw/zinc/31/41/81/500314181.db2.gz HHOOPZHZCBUGQJ-MRXNPFEDSA-N 2 1 353.466 3.477 20 0 FGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908940 500315633 /nfs/dbraw/zinc/31/56/33/500315633.db2.gz DXZGFSJKPZGWCR-VXKWHMMOSA-N 3 1 351.494 3.396 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422947425 500321563 /nfs/dbraw/zinc/32/15/63/500321563.db2.gz PZUVNBVDPJFRNI-JTPPEQCGSA-N 2 1 371.569 3.306 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952077 500322770 /nfs/dbraw/zinc/32/27/70/500322770.db2.gz BNMPAJHIVCARHT-KSSFIOAISA-N 2 1 370.884 3.481 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418788880 500323565 /nfs/dbraw/zinc/32/35/65/500323565.db2.gz LMSPVGSJNMROJC-PWRODBHTSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000423001139 500330026 /nfs/dbraw/zinc/33/00/26/500330026.db2.gz WSEJMZIXTOPSGI-CZUORRHYSA-N 2 1 353.388 3.027 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423005957 500330482 /nfs/dbraw/zinc/33/04/82/500330482.db2.gz TVNDWDAGKCNPDK-ZADIZFFCSA-N 3 1 371.569 3.034 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC3 ZINC000423049067 500334885 /nfs/dbraw/zinc/33/48/85/500334885.db2.gz XJHJBTSYYCGIRM-LIWAJOSJSA-N 2 1 353.510 3.080 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423061448 500336947 /nfs/dbraw/zinc/33/69/47/500336947.db2.gz QRLDPRNHRTXIED-ZACQAIPSSA-N 2 1 353.304 3.004 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423062037 500337168 /nfs/dbraw/zinc/33/71/68/500337168.db2.gz MGUFDCCOAHWKBS-BZUAXINKSA-N 2 1 353.304 3.468 20 0 FGADMP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423169137 500350710 /nfs/dbraw/zinc/35/07/10/500350710.db2.gz ZGBLMFAGFIERFF-UWWQBHOKSA-N 2 1 369.347 3.029 20 0 FGADMP CCc1ccc([C@@H]([NH2+]CC[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423227318 500355846 /nfs/dbraw/zinc/35/58/46/500355846.db2.gz VHIUZUJHUOYCRU-MGPUTAFESA-N 2 1 360.523 3.069 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127807 500356331 /nfs/dbraw/zinc/35/63/31/500356331.db2.gz HQXMBCMLYCZHAQ-CTNGQTDRSA-N 2 1 351.494 3.461 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127807 500356332 /nfs/dbraw/zinc/35/63/32/500356332.db2.gz HQXMBCMLYCZHAQ-CTNGQTDRSA-N 2 1 351.494 3.461 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000423341411 500365125 /nfs/dbraw/zinc/36/51/25/500365125.db2.gz UJMBWTMJAWCLBQ-GVMRPCBKSA-N 2 1 358.526 3.326 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197398 500365727 /nfs/dbraw/zinc/36/57/27/500365727.db2.gz CPNOXWGZCBBILI-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1F ZINC000423357124 500366893 /nfs/dbraw/zinc/36/68/93/500366893.db2.gz HUIFWYIMZKAUPE-SFHVURJKSA-N 2 1 358.461 3.234 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000423373571 500368131 /nfs/dbraw/zinc/36/81/31/500368131.db2.gz HJXNEGITFKOPSU-HZPDHXFCSA-N 2 1 353.466 3.352 20 0 FGADMP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423400519 500370337 /nfs/dbraw/zinc/37/03/37/500370337.db2.gz FOSCDYSKVFWAHJ-YLJYHZDGSA-N 2 1 353.510 3.349 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423397902 500370649 /nfs/dbraw/zinc/37/06/49/500370649.db2.gz CJMPTKGWPROVLY-VSKRKVRLSA-N 3 1 371.569 3.035 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423397902 500370650 /nfs/dbraw/zinc/37/06/50/500370650.db2.gz CJMPTKGWPROVLY-VSKRKVRLSA-N 2 1 371.569 3.035 20 0 FGADMP C[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000423436623 500374858 /nfs/dbraw/zinc/37/48/58/500374858.db2.gz PXSGGOFUUWFDIL-LJQANCHMSA-N 2 1 357.473 3.100 20 0 FGADMP C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445798 500375518 /nfs/dbraw/zinc/37/55/18/500375518.db2.gz YQSBCLNBLOEIEH-VGOFRKELSA-N 2 1 353.510 3.165 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423473750 500377186 /nfs/dbraw/zinc/37/71/86/500377186.db2.gz NXXOSGBPDPQWJV-ZQOQTTQJSA-N 3 1 359.533 3.419 20 0 FGADMP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423502599 500379851 /nfs/dbraw/zinc/37/98/51/500379851.db2.gz CZTWEBGUCHQYBV-BPZDKFOGSA-N 2 1 352.526 3.351 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423506915 500379899 /nfs/dbraw/zinc/37/98/99/500379899.db2.gz JAWKRWDGAYNUOD-FAEJEUNOSA-N 2 1 369.475 3.442 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(OC(F)F)c1 ZINC000423503758 500380144 /nfs/dbraw/zinc/38/01/44/500380144.db2.gz GAAGEYSRMWUYMI-OOHWJJMZSA-N 2 1 353.457 3.155 20 0 FGADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423510237 500380492 /nfs/dbraw/zinc/38/04/92/500380492.db2.gz MJRYOQTZDUDBCN-LBXVMSDZSA-N 2 1 372.513 3.037 20 0 FGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423509430 500380545 /nfs/dbraw/zinc/38/05/45/500380545.db2.gz MGCRBWZZGDTBMJ-KLAILNCOSA-N 2 1 351.485 3.092 20 0 FGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423509429 500380638 /nfs/dbraw/zinc/38/06/38/500380638.db2.gz MGCRBWZZGDTBMJ-GTPINHCMSA-N 2 1 351.485 3.092 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423510151 500380722 /nfs/dbraw/zinc/38/07/22/500380722.db2.gz MFJAIQVLSJNVQJ-OOHWJJMZSA-N 2 1 353.457 3.155 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCS2 ZINC000423523273 500381815 /nfs/dbraw/zinc/38/18/15/500381815.db2.gz VRKSCYBHSHKREW-RJYAGPCLSA-N 2 1 361.555 3.038 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000423658548 500392424 /nfs/dbraw/zinc/39/24/24/500392424.db2.gz XVUHETMEKQCADK-IBGZPJMESA-N 2 1 355.457 3.321 20 0 FGADMP CC[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000423658549 500392434 /nfs/dbraw/zinc/39/24/34/500392434.db2.gz XVUHETMEKQCADK-LJQANCHMSA-N 2 1 355.457 3.321 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000423668216 500392849 /nfs/dbraw/zinc/39/28/49/500392849.db2.gz POEURMUHTLAZCH-KBAYOESNSA-N 2 1 358.530 3.079 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000423749324 500398739 /nfs/dbraw/zinc/39/87/39/500398739.db2.gz RNEQJPGKTXHNMU-LJQANCHMSA-N 2 1 365.521 3.487 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423811577 500404347 /nfs/dbraw/zinc/40/43/47/500404347.db2.gz CBPIBRFYIOBZPL-NSHGMRRFSA-N 2 1 357.885 3.076 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423811577 500404349 /nfs/dbraw/zinc/40/43/49/500404349.db2.gz CBPIBRFYIOBZPL-NSHGMRRFSA-N 2 1 357.885 3.076 20 0 FGADMP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431671970 500406472 /nfs/dbraw/zinc/40/64/72/500406472.db2.gz WKGBSLXPZAGAFK-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000423917973 500419198 /nfs/dbraw/zinc/41/91/98/500419198.db2.gz ZRORKTWXNMFHGS-KCLUMXDGSA-N 2 1 357.542 3.119 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000431755231 500420576 /nfs/dbraw/zinc/42/05/76/500420576.db2.gz QSUXCUYDFAVVTI-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000423939064 500421487 /nfs/dbraw/zinc/42/14/87/500421487.db2.gz LKMNHKGBKIRWNO-LEWJYISDSA-N 2 1 351.494 3.030 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000423937939 500421516 /nfs/dbraw/zinc/42/15/16/500421516.db2.gz HWOHSNWTVUQKFK-RBUKOAKNSA-N 2 1 359.901 3.321 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431796902 500426114 /nfs/dbraw/zinc/42/61/14/500426114.db2.gz VPCPAMDMUSYFLB-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431796902 500426115 /nfs/dbraw/zinc/42/61/15/500426115.db2.gz VPCPAMDMUSYFLB-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431796902 500426117 /nfs/dbraw/zinc/42/61/17/500426117.db2.gz VPCPAMDMUSYFLB-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H](CC[NH3+])C3)c2c1C ZINC000420249742 500429046 /nfs/dbraw/zinc/42/90/46/500429046.db2.gz YPZSXKUUODGBSQ-MRXNPFEDSA-N 2 1 373.570 3.469 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000423992372 500431338 /nfs/dbraw/zinc/43/13/38/500431338.db2.gz GCSMMQRTNUEVDN-YADHBBJMSA-N 2 1 363.505 3.072 20 0 FGADMP CCC[N@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420294189 500435786 /nfs/dbraw/zinc/43/57/86/500435786.db2.gz AVOCTJLQLHPPOQ-HKUYNNGSSA-N 2 1 369.509 3.477 20 0 FGADMP CCC[N@@H+](C[C@H](C[NH3+])c1ccc(OC)cc1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420294189 500435789 /nfs/dbraw/zinc/43/57/89/500435789.db2.gz AVOCTJLQLHPPOQ-HKUYNNGSSA-N 2 1 369.509 3.477 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@H]12 ZINC000420301456 500437492 /nfs/dbraw/zinc/43/74/92/500437492.db2.gz DUOLAVALFHXYOG-XWPNQZOQSA-N 2 1 353.441 3.175 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@H]12 ZINC000420301456 500437493 /nfs/dbraw/zinc/43/74/93/500437493.db2.gz DUOLAVALFHXYOG-XWPNQZOQSA-N 2 1 353.441 3.175 20 0 FGADMP CC[N@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000420303729 500437524 /nfs/dbraw/zinc/43/75/24/500437524.db2.gz DDVZZYVZAXKJSP-CXAGYDPISA-N 2 1 353.869 3.048 20 0 FGADMP CC[N@@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000420303729 500437525 /nfs/dbraw/zinc/43/75/25/500437525.db2.gz DDVZZYVZAXKJSP-CXAGYDPISA-N 2 1 353.869 3.048 20 0 FGADMP CC[N@H+]([C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000420303730 500437692 /nfs/dbraw/zinc/43/76/92/500437692.db2.gz DDVZZYVZAXKJSP-DYVFJYSZSA-N 2 1 353.869 3.048 20 0 FGADMP CC[N@@H+]([C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000420303730 500437696 /nfs/dbraw/zinc/43/76/96/500437696.db2.gz DDVZZYVZAXKJSP-DYVFJYSZSA-N 2 1 353.869 3.048 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CCC4(C3)CC[NH2+]CC4)CCC2)c1 ZINC000420312988 500439095 /nfs/dbraw/zinc/43/90/95/500439095.db2.gz SXOFAZQUAHRILT-UHFFFAOYSA-N 2 1 358.526 3.458 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336143 500443785 /nfs/dbraw/zinc/44/37/85/500443785.db2.gz IOAWDZRWGBSNLX-WBMJQRKESA-N 2 1 353.869 3.270 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336136 500444193 /nfs/dbraw/zinc/44/41/93/500444193.db2.gz IOAWDZRWGBSNLX-BLLLJJGKSA-N 2 1 353.869 3.270 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1Cl ZINC000420337039 500444299 /nfs/dbraw/zinc/44/42/99/500444299.db2.gz NAZFIPQIACEVID-IEBWSBKVSA-N 2 1 361.917 3.299 20 0 FGADMP CC(C)(C)C[C@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000420355956 500446825 /nfs/dbraw/zinc/44/68/25/500446825.db2.gz FTQOTAWPQQKEGU-ZWKOTPCHSA-N 2 1 363.521 3.397 20 0 FGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420363528 500447674 /nfs/dbraw/zinc/44/76/74/500447674.db2.gz NYPHLNAFVXVIMS-HKUYNNGSSA-N 2 1 359.539 3.307 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000431983960 500451469 /nfs/dbraw/zinc/45/14/69/500451469.db2.gz WDZLTFPVJIMBKZ-UFYCRDLUSA-N 2 1 366.594 3.307 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000420391748 500453941 /nfs/dbraw/zinc/45/39/41/500453941.db2.gz ZCEARICPBWNAKU-KRWDZBQOSA-N 2 1 355.404 3.110 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000420390931 500454329 /nfs/dbraw/zinc/45/43/29/500454329.db2.gz ZZKHHKBGAXLHEY-YLJYHZDGSA-N 2 1 359.445 3.199 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406922 500456580 /nfs/dbraw/zinc/45/65/80/500456580.db2.gz UUOBUYUUUYFADX-PBHICJAKSA-N 2 1 369.431 3.498 20 0 FGADMP C[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420416285 500457247 /nfs/dbraw/zinc/45/72/47/500457247.db2.gz VRSMNUFMFPKUJJ-BLIXFSHQSA-N 2 1 371.550 3.261 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004232 500457447 /nfs/dbraw/zinc/45/74/47/500457447.db2.gz FTPZPVHZDVGCQH-VQIMIIECSA-N 2 1 363.521 3.273 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004232 500457449 /nfs/dbraw/zinc/45/74/49/500457449.db2.gz FTPZPVHZDVGCQH-VQIMIIECSA-N 2 1 363.521 3.273 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCCc1ccc(C(C)(C)C)cc1)CC[NH2+]CC2 ZINC000424295056 500482546 /nfs/dbraw/zinc/48/25/46/500482546.db2.gz QOOGEMULUASODL-GOSISDBHSA-N 2 1 371.569 3.107 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000424309502 500484667 /nfs/dbraw/zinc/48/46/67/500484667.db2.gz ILACQHHTVRCEFU-OAHLLOKOSA-N 2 1 353.938 3.273 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612821 506199066 /nfs/dbraw/zinc/19/90/66/506199066.db2.gz OZWMWIIFVDYIDS-IEBWSBKVSA-N 2 1 368.477 3.437 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612821 506199068 /nfs/dbraw/zinc/19/90/68/506199068.db2.gz OZWMWIIFVDYIDS-IEBWSBKVSA-N 2 1 368.477 3.437 20 0 FGADMP CCCOc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OC ZINC000432356315 500504375 /nfs/dbraw/zinc/50/43/75/500504375.db2.gz IIIWFFWVBZADBV-QGZVFWFLSA-N 2 1 350.503 3.075 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000424443272 500506497 /nfs/dbraw/zinc/50/64/97/500506497.db2.gz JYWGPSBSSAZFEO-QFBILLFUSA-N 2 1 352.482 3.411 20 0 FGADMP CCCc1nc(C)c(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000428433278 500509444 /nfs/dbraw/zinc/50/94/44/500509444.db2.gz GYEHVMHWURAGKB-NRFANRHFSA-N 2 1 357.498 3.004 20 0 FGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432426245 500515290 /nfs/dbraw/zinc/51/52/90/500515290.db2.gz PTPPQWLYXKJOBI-MJGOQNOKSA-N 2 1 364.530 3.115 20 0 FGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432426245 500515291 /nfs/dbraw/zinc/51/52/91/500515291.db2.gz PTPPQWLYXKJOBI-MJGOQNOKSA-N 2 1 364.530 3.115 20 0 FGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000573471778 506200959 /nfs/dbraw/zinc/20/09/59/506200959.db2.gz KSNMOLOWTSULLF-UHFFFAOYSA-N 2 1 358.486 3.359 20 0 FGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000573471778 506200961 /nfs/dbraw/zinc/20/09/61/506200961.db2.gz KSNMOLOWTSULLF-UHFFFAOYSA-N 2 1 358.486 3.359 20 0 FGADMP OCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000420915940 500529647 /nfs/dbraw/zinc/52/96/47/500529647.db2.gz NGUNXRCKISKSMN-HSZRJFAPSA-N 2 1 366.505 3.001 20 0 FGADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCc2ccccc21 ZINC000420915940 500529648 /nfs/dbraw/zinc/52/96/48/500529648.db2.gz NGUNXRCKISKSMN-HSZRJFAPSA-N 2 1 366.505 3.001 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953683 500539793 /nfs/dbraw/zinc/53/97/93/500539793.db2.gz UANOPDWOCXJEAM-NVXWUHKLSA-N 2 1 371.447 3.070 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953683 500539796 /nfs/dbraw/zinc/53/97/96/500539796.db2.gz UANOPDWOCXJEAM-NVXWUHKLSA-N 2 1 371.447 3.070 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000576631494 506202616 /nfs/dbraw/zinc/20/26/16/506202616.db2.gz OFSWESOYJSSXRJ-PKOBYXMFSA-N 2 1 363.505 3.395 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2(C)C)CC1 ZINC000421028207 500559075 /nfs/dbraw/zinc/55/90/75/500559075.db2.gz WHEVKJGBBZHJBU-HXUWFJFHSA-N 2 1 357.542 3.244 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856222 500566438 /nfs/dbraw/zinc/56/64/38/500566438.db2.gz LPLNOLGAELSFEA-CEWLAPEOSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856222 500566439 /nfs/dbraw/zinc/56/64/39/500566439.db2.gz LPLNOLGAELSFEA-CEWLAPEOSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856222 500566440 /nfs/dbraw/zinc/56/64/40/500566440.db2.gz LPLNOLGAELSFEA-CEWLAPEOSA-N 2 1 372.557 3.213 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000437092054 500601569 /nfs/dbraw/zinc/60/15/69/500601569.db2.gz YPHWWENMHOCMFY-SBHAEUEKSA-N 2 1 359.558 3.022 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC(F)(F)F ZINC000442880879 500638963 /nfs/dbraw/zinc/63/89/63/500638963.db2.gz ZMGCOPZJDBESOC-AWEZNQCLSA-N 2 1 359.436 3.262 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1Br ZINC000442893273 500642191 /nfs/dbraw/zinc/64/21/91/500642191.db2.gz XJPURFLVSAXUBK-ZDUSSCGKSA-N 2 1 372.326 3.265 20 0 FGADMP CC1CCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433212336 500648558 /nfs/dbraw/zinc/64/85/58/500648558.db2.gz HQNBKDXUQLKOGK-UHFFFAOYSA-N 2 1 369.553 3.233 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000442929539 500648876 /nfs/dbraw/zinc/64/88/76/500648876.db2.gz RMEHDEARVUUFRP-CYBMUJFWSA-N 2 1 363.303 3.400 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000442929597 500649114 /nfs/dbraw/zinc/64/91/14/500649114.db2.gz SCAXCTSXXDUDCE-CYBMUJFWSA-N 2 1 363.303 3.400 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447720148 500652464 /nfs/dbraw/zinc/65/24/64/500652464.db2.gz ATWBPQZPVYKYBF-INIZCTEOSA-N 2 1 359.495 3.447 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000443061248 500671336 /nfs/dbraw/zinc/67/13/36/500671336.db2.gz UXVIPYWZLRHDAY-LJQANCHMSA-N 2 1 365.521 3.343 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000443068406 500673412 /nfs/dbraw/zinc/67/34/12/500673412.db2.gz HZSPCHFRDNIGIG-IBGZPJMESA-N 2 1 357.542 3.066 20 0 FGADMP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000443075927 500674977 /nfs/dbraw/zinc/67/49/77/500674977.db2.gz RWNXBAXXSCMZLR-MRXNPFEDSA-N 2 1 372.538 3.194 20 0 FGADMP C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000433367779 500681866 /nfs/dbraw/zinc/68/18/66/500681866.db2.gz RVZTWROLJBDRDG-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211734 500733439 /nfs/dbraw/zinc/73/34/39/500733439.db2.gz DYTZEUHWDNXQKD-FPOVZHCZSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000448211734 500733442 /nfs/dbraw/zinc/73/34/42/500733442.db2.gz DYTZEUHWDNXQKD-FPOVZHCZSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000448211734 500733446 /nfs/dbraw/zinc/73/34/46/500733446.db2.gz DYTZEUHWDNXQKD-FPOVZHCZSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000570695608 506214144 /nfs/dbraw/zinc/21/41/44/506214144.db2.gz YQJVZDFTEBXYBR-DZKIICNBSA-N 2 1 360.889 3.129 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000570695608 506214145 /nfs/dbraw/zinc/21/41/45/506214145.db2.gz YQJVZDFTEBXYBR-DZKIICNBSA-N 2 1 360.889 3.129 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615085 500746089 /nfs/dbraw/zinc/74/60/89/500746089.db2.gz HZJRPSZVZMPZAA-SJORKVTESA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615085 500746091 /nfs/dbraw/zinc/74/60/91/500746091.db2.gz HZJRPSZVZMPZAA-SJORKVTESA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615085 500746095 /nfs/dbraw/zinc/74/60/95/500746095.db2.gz HZJRPSZVZMPZAA-SJORKVTESA-N 2 1 358.448 3.415 20 0 FGADMP CCC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000433856598 500756152 /nfs/dbraw/zinc/75/61/52/500756152.db2.gz XYQODQQSDQBHKD-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000438332461 500771426 /nfs/dbraw/zinc/77/14/26/500771426.db2.gz QXEMUHPEZPORAI-HXUWFJFHSA-N 2 1 362.562 3.053 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545043 500798868 /nfs/dbraw/zinc/79/88/68/500798868.db2.gz KWCROTQOTALLEF-MOPGFXCFSA-N 2 1 359.514 3.248 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545043 500798871 /nfs/dbraw/zinc/79/88/71/500798871.db2.gz KWCROTQOTALLEF-MOPGFXCFSA-N 2 1 359.514 3.248 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000607668399 506220440 /nfs/dbraw/zinc/22/04/40/506220440.db2.gz NLTIMDLWMCMNOQ-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000607668399 506220442 /nfs/dbraw/zinc/22/04/42/506220442.db2.gz NLTIMDLWMCMNOQ-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000607668399 506220447 /nfs/dbraw/zinc/22/04/47/506220447.db2.gz NLTIMDLWMCMNOQ-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000607668399 506220449 /nfs/dbraw/zinc/22/04/49/506220449.db2.gz NLTIMDLWMCMNOQ-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@H+]1CCCC[C@H]1C ZINC000439177356 500866720 /nfs/dbraw/zinc/86/67/20/500866720.db2.gz LEYIMLYOUWIEEI-SJORKVTESA-N 2 1 366.575 3.084 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000434670096 500876359 /nfs/dbraw/zinc/87/63/59/500876359.db2.gz ORKYAOSRUYRUOA-UHFFFAOYSA-N 2 1 359.495 3.447 20 0 FGADMP COc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc2ccccc21 ZINC000449006829 500893917 /nfs/dbraw/zinc/89/39/17/500893917.db2.gz HUYLUGOBNJGCQX-UHFFFAOYSA-N 2 1 353.510 3.062 20 0 FGADMP C[C@H](C[NH2+]CC(C)(C)[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449065162 500915873 /nfs/dbraw/zinc/91/58/73/500915873.db2.gz RYSJZZMHUJOBGN-MRXNPFEDSA-N 2 1 352.544 3.048 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cc1 ZINC000449072791 500916844 /nfs/dbraw/zinc/91/68/44/500916844.db2.gz GPOBZFKUJPNSNN-GOSISDBHSA-N 2 1 365.521 3.231 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000449223705 500952120 /nfs/dbraw/zinc/95/21/20/500952120.db2.gz YNDCNQRZCUHADY-OAQYLSRUSA-N 2 1 373.541 3.406 20 0 FGADMP CCOC(=O)c1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000449242022 500955860 /nfs/dbraw/zinc/95/58/60/500955860.db2.gz VVKPCWSTYORZJL-UHFFFAOYSA-N 2 1 370.497 3.243 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267438 500961931 /nfs/dbraw/zinc/96/19/31/500961931.db2.gz ZJWXLXMSOUITJF-JMUQELJHSA-N 2 1 374.569 3.238 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@H]([NH3+])[C@@H](C)C4)cc3)nc12 ZINC000435376682 500963015 /nfs/dbraw/zinc/96/30/15/500963015.db2.gz SYNKWYHXXOCMAK-LAUBAEHRSA-N 2 1 364.493 3.391 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383761 500964667 /nfs/dbraw/zinc/96/46/67/500964667.db2.gz JSWMQVSZIAQCTE-DZGCQCFKSA-N 2 1 352.404 3.450 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435387664 500965652 /nfs/dbraw/zinc/96/56/52/500965652.db2.gz AYEUMGCDEYNJDG-IOMROCGXSA-N 2 1 359.477 3.103 20 0 FGADMP CCn1ccnc1C[N@@H+](C[C@H](C)CC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425255 500972543 /nfs/dbraw/zinc/97/25/43/500972543.db2.gz YIMFFLUKKAQTOO-UYAOXDASSA-N 2 1 374.573 3.300 20 0 FGADMP COc1ccc([C@@H](C)C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432063 500975088 /nfs/dbraw/zinc/97/50/88/500975088.db2.gz LJUTZNVMFRIMJH-FXAWDEMLSA-N 2 1 368.525 3.177 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1cccc(F)c1 ZINC000449358703 500986083 /nfs/dbraw/zinc/98/60/83/500986083.db2.gz FZFMBHLJEGMANJ-KZKAQZJJSA-N 2 1 368.496 3.229 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449398577 500993983 /nfs/dbraw/zinc/99/39/83/500993983.db2.gz VQGGKWHBGMQKBL-IBGZPJMESA-N 2 1 353.595 3.102 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000449398577 500993986 /nfs/dbraw/zinc/99/39/86/500993986.db2.gz VQGGKWHBGMQKBL-IBGZPJMESA-N 2 1 353.595 3.102 20 0 FGADMP COc1ccccc1OCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615526 501002293 /nfs/dbraw/zinc/00/22/93/501002293.db2.gz JLQRENMUNGIGPT-LJQANCHMSA-N 2 1 355.482 3.113 20 0 FGADMP COc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435615526 501002297 /nfs/dbraw/zinc/00/22/97/501002297.db2.gz JLQRENMUNGIGPT-LJQANCHMSA-N 2 1 355.482 3.113 20 0 FGADMP CC[C@H](NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628656 501004589 /nfs/dbraw/zinc/00/45/89/501004589.db2.gz VOZFBAXPCFTJCI-ROUUACIJSA-N 2 1 351.922 3.371 20 0 FGADMP CC[C@H](NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628656 501004591 /nfs/dbraw/zinc/00/45/91/501004591.db2.gz VOZFBAXPCFTJCI-ROUUACIJSA-N 2 1 351.922 3.371 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692174 501012604 /nfs/dbraw/zinc/01/26/04/501012604.db2.gz FQRBZNKOVZGZHD-SJLPKXTDSA-N 2 1 361.555 3.093 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692174 501012606 /nfs/dbraw/zinc/01/26/06/501012606.db2.gz FQRBZNKOVZGZHD-SJLPKXTDSA-N 2 1 361.555 3.093 20 0 FGADMP CCO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000449490816 501015566 /nfs/dbraw/zinc/01/55/66/501015566.db2.gz CZZSNDOMZJJWHR-AVRDEDQJSA-N 2 1 359.558 3.464 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504132 501019304 /nfs/dbraw/zinc/01/93/04/501019304.db2.gz QBZROGUGPHMXRF-VUHHOQONSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504132 501019306 /nfs/dbraw/zinc/01/93/06/501019306.db2.gz QBZROGUGPHMXRF-VUHHOQONSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504132 501019307 /nfs/dbraw/zinc/01/93/07/501019307.db2.gz QBZROGUGPHMXRF-VUHHOQONSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504132 501019309 /nfs/dbraw/zinc/01/93/09/501019309.db2.gz QBZROGUGPHMXRF-VUHHOQONSA-N 2 1 369.553 3.356 20 0 FGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449562172 501033997 /nfs/dbraw/zinc/03/39/97/501033997.db2.gz HQGGQPJACQCMEV-QGZVFWFLSA-N 2 1 355.530 3.284 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnc(C3CC3)o2)CC1 ZINC000449695452 501064447 /nfs/dbraw/zinc/06/44/47/501064447.db2.gz FBVNPPLUNZKHCN-UHFFFAOYSA-N 2 1 354.498 3.374 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000441200281 501102884 /nfs/dbraw/zinc/10/28/84/501102884.db2.gz CCLDNAOGIFKIBI-KGWSWXIGSA-N 2 1 364.574 3.120 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270371 501111562 /nfs/dbraw/zinc/11/15/62/501111562.db2.gz OHYSNWTWLYLNGX-UWWQBHOKSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270371 501111565 /nfs/dbraw/zinc/11/15/65/501111565.db2.gz OHYSNWTWLYLNGX-UWWQBHOKSA-N 2 1 372.431 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450649786 501176730 /nfs/dbraw/zinc/17/67/30/501176730.db2.gz MFIDUPNFZVAHHP-BBWFWOEESA-N 2 1 360.489 3.012 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450649786 501176732 /nfs/dbraw/zinc/17/67/32/501176732.db2.gz MFIDUPNFZVAHHP-BBWFWOEESA-N 2 1 360.489 3.012 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000450941493 501233899 /nfs/dbraw/zinc/23/38/99/501233899.db2.gz PWFCGWDFHSERNK-YADHBBJMSA-N 2 1 352.522 3.480 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000450941493 501233901 /nfs/dbraw/zinc/23/39/01/501233901.db2.gz PWFCGWDFHSERNK-YADHBBJMSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453103818 501269610 /nfs/dbraw/zinc/26/96/10/501269610.db2.gz DMCWSILMJIKXLL-SFHVURJKSA-N 2 1 369.557 3.011 20 0 FGADMP COC1([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000453123484 501273915 /nfs/dbraw/zinc/27/39/15/501273915.db2.gz YQEUCFFTPNFJCB-XSLAUPDRSA-N 2 1 358.526 3.356 20 0 FGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453126525 501274411 /nfs/dbraw/zinc/27/44/11/501274411.db2.gz SQARMHWETBJXHQ-BHDDXSALSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453126525 501274414 /nfs/dbraw/zinc/27/44/14/501274414.db2.gz SQARMHWETBJXHQ-BHDDXSALSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453126525 501274416 /nfs/dbraw/zinc/27/44/16/501274416.db2.gz SQARMHWETBJXHQ-BHDDXSALSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457648923 501276975 /nfs/dbraw/zinc/27/69/75/501276975.db2.gz LFMYCGZZDNJNAA-QGZVFWFLSA-N 2 1 360.546 3.200 20 0 FGADMP CN(C(=O)c1[nH]ccc1C1CC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457661571 501280760 /nfs/dbraw/zinc/28/07/60/501280760.db2.gz GWGOIGMUOLPUQT-WOJBJXKFSA-N 2 1 372.557 3.301 20 0 FGADMP CCC1(CNC(=O)Cn2cc[nH+]c2C)CC[NH+](Cc2ccccc2)CC1 ZINC000457681972 501285780 /nfs/dbraw/zinc/28/57/80/501285780.db2.gz XARZHASGDRRGDL-UHFFFAOYSA-N 2 1 354.498 3.000 20 0 FGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(F)c(I)c1 ZINC000453181002 501286516 /nfs/dbraw/zinc/28/65/16/501286516.db2.gz QXOYHOZOKXDEMK-NSHDSACASA-N 2 1 374.241 3.343 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000453197001 501289134 /nfs/dbraw/zinc/28/91/34/501289134.db2.gz MPKROEZHZMFDEU-XMSQKQJNSA-N 2 1 353.510 3.149 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)s1 ZINC000453251134 501299403 /nfs/dbraw/zinc/29/94/03/501299403.db2.gz LCQQHDNVQNXGQY-QRVBRYPASA-N 2 1 356.539 3.422 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000455476742 501313120 /nfs/dbraw/zinc/31/31/20/501313120.db2.gz SRYLETGDKLCZFQ-BZSNNMDCSA-N 2 1 369.513 3.268 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000455476742 501313122 /nfs/dbraw/zinc/31/31/22/501313122.db2.gz SRYLETGDKLCZFQ-BZSNNMDCSA-N 2 1 369.513 3.268 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000455476752 501313183 /nfs/dbraw/zinc/31/31/83/501313183.db2.gz SRYLETGDKLCZFQ-SQNIBIBYSA-N 2 1 369.513 3.268 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C ZINC000455476752 501313186 /nfs/dbraw/zinc/31/31/86/501313186.db2.gz SRYLETGDKLCZFQ-SQNIBIBYSA-N 2 1 369.513 3.268 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534223 501315015 /nfs/dbraw/zinc/31/50/15/501315015.db2.gz NEGYMYVBTICQGI-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534223 501315017 /nfs/dbraw/zinc/31/50/17/501315017.db2.gz NEGYMYVBTICQGI-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534223 501315018 /nfs/dbraw/zinc/31/50/18/501315018.db2.gz NEGYMYVBTICQGI-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534223 501315021 /nfs/dbraw/zinc/31/50/21/501315021.db2.gz NEGYMYVBTICQGI-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329629 /nfs/dbraw/zinc/32/96/29/501329629.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329631 /nfs/dbraw/zinc/32/96/31/501329631.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000451578756 501329634 /nfs/dbraw/zinc/32/96/34/501329634.db2.gz XMFRYLPFQOCPOO-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1)C1CC1 ZINC000453593146 501356439 /nfs/dbraw/zinc/35/64/39/501356439.db2.gz GHIXFWKQVXLSMW-UHFFFAOYSA-N 2 1 351.922 3.141 20 0 FGADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Br)c1O ZINC000453593779 501357036 /nfs/dbraw/zinc/35/70/36/501357036.db2.gz HREHKTPVJKFXOB-UHFFFAOYSA-N 2 1 357.292 3.127 20 0 FGADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229433 501398955 /nfs/dbraw/zinc/39/89/55/501398955.db2.gz UZYNLTBLVXTOOM-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229433 501398957 /nfs/dbraw/zinc/39/89/57/501398957.db2.gz UZYNLTBLVXTOOM-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000458229433 501398959 /nfs/dbraw/zinc/39/89/59/501398959.db2.gz UZYNLTBLVXTOOM-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000458229433 501398960 /nfs/dbraw/zinc/39/89/60/501398960.db2.gz UZYNLTBLVXTOOM-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458367859 501428391 /nfs/dbraw/zinc/42/83/91/501428391.db2.gz IIVWOEZIWIPPCM-QZTJIDSGSA-N 2 1 360.546 3.147 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508437 501462349 /nfs/dbraw/zinc/46/23/49/501462349.db2.gz OKNMJMTUVXAEBP-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508437 501462352 /nfs/dbraw/zinc/46/23/52/501462352.db2.gz OKNMJMTUVXAEBP-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508437 501462354 /nfs/dbraw/zinc/46/23/54/501462354.db2.gz OKNMJMTUVXAEBP-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511110 501462708 /nfs/dbraw/zinc/46/27/08/501462708.db2.gz POSJCZLIPHGLAD-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511110 501462710 /nfs/dbraw/zinc/46/27/10/501462710.db2.gz POSJCZLIPHGLAD-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511110 501462712 /nfs/dbraw/zinc/46/27/12/501462712.db2.gz POSJCZLIPHGLAD-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665705 501502605 /nfs/dbraw/zinc/50/26/05/501502605.db2.gz JCFAYWYUBVVNOJ-SFTDATJTSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000458665705 501502609 /nfs/dbraw/zinc/50/26/09/501502609.db2.gz JCFAYWYUBVVNOJ-SFTDATJTSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000458665705 501502614 /nfs/dbraw/zinc/50/26/14/501502614.db2.gz JCFAYWYUBVVNOJ-SFTDATJTSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285388 506261042 /nfs/dbraw/zinc/26/10/42/506261042.db2.gz IRIQZEIMKDXPMW-LPHOPBHVSA-N 2 1 367.497 3.134 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](C3CCC3)CC2)cc1)C1CC1 ZINC000456682646 501576037 /nfs/dbraw/zinc/57/60/37/501576037.db2.gz KRKTVYTZHNAZLV-UHFFFAOYSA-N 2 1 355.526 3.418 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149636 501603817 /nfs/dbraw/zinc/60/38/17/501603817.db2.gz GLZQJPAPDQEACW-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000459149636 501603819 /nfs/dbraw/zinc/60/38/19/501603819.db2.gz GLZQJPAPDQEACW-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000459149636 501603820 /nfs/dbraw/zinc/60/38/20/501603820.db2.gz GLZQJPAPDQEACW-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268274 501622142 /nfs/dbraw/zinc/62/21/42/501622142.db2.gz SBFJJYOAUXXWHQ-VQTJNVASSA-N 2 1 364.578 3.016 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268275 501622224 /nfs/dbraw/zinc/62/22/24/501622224.db2.gz SBFJJYOAUXXWHQ-WOJBJXKFSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760926 501623865 /nfs/dbraw/zinc/62/38/65/501623865.db2.gz DOTQLIZFEWZWHT-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760926 501623867 /nfs/dbraw/zinc/62/38/67/501623867.db2.gz DOTQLIZFEWZWHT-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760926 501623869 /nfs/dbraw/zinc/62/38/69/501623869.db2.gz DOTQLIZFEWZWHT-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cn3cccnc3n2)C1 ZINC000459387093 501644275 /nfs/dbraw/zinc/64/42/75/501644275.db2.gz JHMCFJDTJUOXNP-ROUUACIJSA-N 2 1 363.509 3.497 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCOCC1 ZINC000459460466 501657922 /nfs/dbraw/zinc/65/79/22/501657922.db2.gz FNNBEDCOEBZTFY-UHFFFAOYSA-N 2 1 358.526 3.268 20 0 FGADMP CC[N@H+](CCC1CC[NH+](Cc2ncccc2C(=O)OC)CC1)CC1CC1 ZINC000459463240 501658313 /nfs/dbraw/zinc/65/83/13/501658313.db2.gz HNFZOLHDAGSIKO-UHFFFAOYSA-N 2 1 359.514 3.202 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ncccc2C(=O)OC)CC1)CC1CC1 ZINC000459463240 501658315 /nfs/dbraw/zinc/65/83/15/501658315.db2.gz HNFZOLHDAGSIKO-UHFFFAOYSA-N 2 1 359.514 3.202 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457515776 501714421 /nfs/dbraw/zinc/71/44/21/501714421.db2.gz BOVLBEAHYFZPJB-FQEVSTJZSA-N 2 1 372.557 3.204 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459796017 501715095 /nfs/dbraw/zinc/71/50/95/501715095.db2.gz VXSZYZTURDCXLP-MSOLQXFVSA-N 2 1 371.525 3.163 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(I)c2)C1 ZINC000459796038 501715290 /nfs/dbraw/zinc/71/52/90/501715290.db2.gz VYQQLQRFMIKPLA-ZDUSSCGKSA-N 2 1 358.267 3.113 20 0 FGADMP C[C@@H](CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000474309979 501785386 /nfs/dbraw/zinc/78/53/86/501785386.db2.gz ONNQOIIJHHVJEU-SFHVURJKSA-N 2 1 365.521 3.015 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000470735516 501786174 /nfs/dbraw/zinc/78/61/74/501786174.db2.gz YNXDPDQKMWHPNZ-FQEVSTJZSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470735516 501786176 /nfs/dbraw/zinc/78/61/76/501786176.db2.gz YNXDPDQKMWHPNZ-FQEVSTJZSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470735516 501786178 /nfs/dbraw/zinc/78/61/78/501786178.db2.gz YNXDPDQKMWHPNZ-FQEVSTJZSA-N 2 1 360.546 3.023 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774018 501798324 /nfs/dbraw/zinc/79/83/24/501798324.db2.gz QRQOFUJUOMXDIW-OFNKIYASSA-N 2 1 352.522 3.407 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774018 501798328 /nfs/dbraw/zinc/79/83/28/501798328.db2.gz QRQOFUJUOMXDIW-OFNKIYASSA-N 2 1 352.522 3.407 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000460359942 501803926 /nfs/dbraw/zinc/80/39/26/501803926.db2.gz PKGNKWGRZQTJEO-XCJLJZCSSA-N 2 1 371.569 3.428 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000460473755 501832251 /nfs/dbraw/zinc/83/22/51/501832251.db2.gz CWVKSFKQMNMSRQ-JKSUJKDBSA-N 2 1 357.502 3.270 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000460473755 501832256 /nfs/dbraw/zinc/83/22/56/501832256.db2.gz CWVKSFKQMNMSRQ-JKSUJKDBSA-N 2 1 357.502 3.270 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000460481127 501834903 /nfs/dbraw/zinc/83/49/03/501834903.db2.gz RJGHQIOATYVVMK-ZVDOUQERSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460481127 501834905 /nfs/dbraw/zinc/83/49/05/501834905.db2.gz RJGHQIOATYVVMK-ZVDOUQERSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000460481127 501834909 /nfs/dbraw/zinc/83/49/09/501834909.db2.gz RJGHQIOATYVVMK-ZVDOUQERSA-N 2 1 374.573 3.459 20 0 FGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000474464892 501844755 /nfs/dbraw/zinc/84/47/55/501844755.db2.gz VGDZSZTYXFPBHP-VXKWHMMOSA-N 2 1 359.558 3.119 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H]1C ZINC000474624479 501897830 /nfs/dbraw/zinc/89/78/30/501897830.db2.gz UUBZDORBYKIHNJ-SKDZVZGDSA-N 2 1 359.445 3.387 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@@H](C)C1 ZINC000474722263 501932984 /nfs/dbraw/zinc/93/29/84/501932984.db2.gz ZFQXVKQPBYIKRV-SVCPCHAPSA-N 2 1 368.562 3.225 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468140864 501970453 /nfs/dbraw/zinc/97/04/53/501970453.db2.gz VXLAPDGFLXCHSW-JOCHJYFZSA-N 2 1 363.505 3.173 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000468140864 501970459 /nfs/dbraw/zinc/97/04/59/501970459.db2.gz VXLAPDGFLXCHSW-JOCHJYFZSA-N 2 1 363.505 3.173 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCCc1cccs1 ZINC000482129813 501982994 /nfs/dbraw/zinc/98/29/94/501982994.db2.gz UBEPNDICLDTMPJ-LNLFQRSKSA-N 2 1 365.587 3.286 20 0 FGADMP C[NH+]1CCC(CCO)([NH2+]CCCCc2cccc(C(F)(F)F)c2)CC1 ZINC000474939152 501999086 /nfs/dbraw/zinc/99/90/86/501999086.db2.gz SUNKKCNAUMVUIF-UHFFFAOYSA-N 2 1 358.448 3.465 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475128553 502069674 /nfs/dbraw/zinc/06/96/74/502069674.db2.gz JDIVOWGPBKMHFQ-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475128553 502069680 /nfs/dbraw/zinc/06/96/80/502069680.db2.gz JDIVOWGPBKMHFQ-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475128553 502069683 /nfs/dbraw/zinc/06/96/83/502069683.db2.gz JDIVOWGPBKMHFQ-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128157 502070080 /nfs/dbraw/zinc/07/00/80/502070080.db2.gz FWYCIUULSUMLGB-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CCCCCOc1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000482452196 502072428 /nfs/dbraw/zinc/07/24/28/502072428.db2.gz KCXKRZGUNLPOJG-GOSISDBHSA-N 2 1 361.530 3.070 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771281 502088287 /nfs/dbraw/zinc/08/82/87/502088287.db2.gz CSVPUUHDEJCPNC-ICSRJNTNSA-N 2 1 362.558 3.388 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771281 502088288 /nfs/dbraw/zinc/08/82/88/502088288.db2.gz CSVPUUHDEJCPNC-ICSRJNTNSA-N 2 1 362.558 3.388 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400694 502096969 /nfs/dbraw/zinc/09/69/69/502096969.db2.gz LFTZUPJPRVFSSR-IBGZPJMESA-N 2 1 351.579 3.467 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482540807 502105593 /nfs/dbraw/zinc/10/55/93/502105593.db2.gz YVWSGFRFPLVFNL-INIZCTEOSA-N 2 1 373.463 3.306 20 0 FGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000482553564 502108578 /nfs/dbraw/zinc/10/85/78/502108578.db2.gz JGIYVYHTXIBTQJ-SJLPKXTDSA-N 2 1 363.571 3.425 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000482559200 502110143 /nfs/dbraw/zinc/11/01/43/502110143.db2.gz VTKXFVXVDORZFW-GXTWGEPZSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000482559200 502110146 /nfs/dbraw/zinc/11/01/46/502110146.db2.gz VTKXFVXVDORZFW-GXTWGEPZSA-N 2 1 358.313 3.231 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561160 502110934 /nfs/dbraw/zinc/11/09/34/502110934.db2.gz YVYDBYKTMVUSAX-YADHBBJMSA-N 2 1 365.521 3.147 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568546 502112807 /nfs/dbraw/zinc/11/28/07/502112807.db2.gz HFUURTMIQGOGEP-MAUKXSAKSA-N 2 1 371.550 3.456 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875213 502162049 /nfs/dbraw/zinc/16/20/49/502162049.db2.gz WJXUTRQDNSTOMM-PZJWPPBQSA-N 2 1 357.542 3.107 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000461795260 502204101 /nfs/dbraw/zinc/20/41/01/502204101.db2.gz CNAIMRXZBBCSDH-FQEVSTJZSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000472040628 502208694 /nfs/dbraw/zinc/20/86/94/502208694.db2.gz GXGADNKSFSHASX-NQIIRXRSSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472040628 502208697 /nfs/dbraw/zinc/20/86/97/502208697.db2.gz GXGADNKSFSHASX-NQIIRXRSSA-N 2 1 353.510 3.316 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479296653 502217688 /nfs/dbraw/zinc/21/76/88/502217688.db2.gz QJAGHMGIEXPZPA-IBGZPJMESA-N 2 1 373.516 3.030 20 0 FGADMP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000479367312 502236215 /nfs/dbraw/zinc/23/62/15/502236215.db2.gz ZACRZFZRXPMYHZ-YOEHRIQHSA-N 2 1 367.331 3.218 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000582577148 506302900 /nfs/dbraw/zinc/30/29/00/506302900.db2.gz MHSLEMZZTWLZPA-LEWJYISDSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577148 506302907 /nfs/dbraw/zinc/30/29/07/506302907.db2.gz MHSLEMZZTWLZPA-LEWJYISDSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577148 506302911 /nfs/dbraw/zinc/30/29/11/506302911.db2.gz MHSLEMZZTWLZPA-LEWJYISDSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000582577151 506303583 /nfs/dbraw/zinc/30/35/83/506303583.db2.gz MHSLEMZZTWLZPA-SFTDATJTSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577151 506303593 /nfs/dbraw/zinc/30/35/93/506303593.db2.gz MHSLEMZZTWLZPA-SFTDATJTSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577151 506303598 /nfs/dbraw/zinc/30/35/98/506303598.db2.gz MHSLEMZZTWLZPA-SFTDATJTSA-N 2 1 357.542 3.087 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016568 502275755 /nfs/dbraw/zinc/27/57/55/502275755.db2.gz RKNIZDIFIGXRKI-ZJOUEHCJSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016568 502275759 /nfs/dbraw/zinc/27/57/59/502275759.db2.gz RKNIZDIFIGXRKI-ZJOUEHCJSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016568 502275762 /nfs/dbraw/zinc/27/57/62/502275762.db2.gz RKNIZDIFIGXRKI-ZJOUEHCJSA-N 2 1 374.573 3.410 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230593 502277935 /nfs/dbraw/zinc/27/79/35/502277935.db2.gz GQSBFJVLEIDADJ-LPHOPBHVSA-N 2 1 361.917 3.109 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749181 502279460 /nfs/dbraw/zinc/27/94/60/502279460.db2.gz PMKINEQPORAEPZ-QHCPKHFHSA-N 2 1 369.553 3.423 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749181 502279463 /nfs/dbraw/zinc/27/94/63/502279463.db2.gz PMKINEQPORAEPZ-QHCPKHFHSA-N 2 1 369.553 3.423 20 0 FGADMP O=C(CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749181 502279467 /nfs/dbraw/zinc/27/94/67/502279467.db2.gz PMKINEQPORAEPZ-QHCPKHFHSA-N 2 1 369.553 3.423 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000472267085 502291052 /nfs/dbraw/zinc/29/10/52/502291052.db2.gz ZLVDUMGIMKDYBO-FQEVSTJZSA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000472267085 502291055 /nfs/dbraw/zinc/29/10/55/502291055.db2.gz ZLVDUMGIMKDYBO-FQEVSTJZSA-N 2 1 373.497 3.283 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000465559809 502308286 /nfs/dbraw/zinc/30/82/86/502308286.db2.gz BNEDNFIJULNIOI-UEXGIBASSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000465559809 502308292 /nfs/dbraw/zinc/30/82/92/502308292.db2.gz BNEDNFIJULNIOI-UEXGIBASSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000465559809 502308305 /nfs/dbraw/zinc/30/83/05/502308305.db2.gz BNEDNFIJULNIOI-UEXGIBASSA-N 2 1 372.557 3.343 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC1)CC1CC1 ZINC000462124340 502315359 /nfs/dbraw/zinc/31/53/59/502315359.db2.gz BNUDRHKTJNISJH-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1)CC1CC1 ZINC000462124340 502315364 /nfs/dbraw/zinc/31/53/64/502315364.db2.gz BNUDRHKTJNISJH-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)CC1)CC1CC1 ZINC000462124340 502315367 /nfs/dbraw/zinc/31/53/67/502315367.db2.gz BNUDRHKTJNISJH-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP O=C(C[N@@H+](CC1CC1)C1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000483302192 502344706 /nfs/dbraw/zinc/34/47/06/502344706.db2.gz IUTNROZBHUMVQT-UHFFFAOYSA-N 2 1 373.566 3.438 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731961 502362888 /nfs/dbraw/zinc/36/28/88/502362888.db2.gz VTYDUFNLRXFZFQ-SLYNCCJLSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793843 502386899 /nfs/dbraw/zinc/38/68/99/502386899.db2.gz WSCGSCFCGCYFPR-HXUWFJFHSA-N 2 1 374.573 3.169 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000465817615 502393638 /nfs/dbraw/zinc/39/36/38/502393638.db2.gz SZKRXQWEBLCJSP-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP c1ccc([C@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+]2CCCC2)cc1 ZINC000479852814 502397809 /nfs/dbraw/zinc/39/78/09/502397809.db2.gz RISWUAQSLICLTP-QHCPKHFHSA-N 2 1 364.537 3.473 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C1CC1 ZINC000465844099 502400351 /nfs/dbraw/zinc/40/03/51/502400351.db2.gz NMLWRNHZTOPSJE-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000465844099 502400355 /nfs/dbraw/zinc/40/03/55/502400355.db2.gz NMLWRNHZTOPSJE-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000465844099 502400360 /nfs/dbraw/zinc/40/03/60/502400360.db2.gz NMLWRNHZTOPSJE-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465861126 502406380 /nfs/dbraw/zinc/40/63/80/502406380.db2.gz YLUWIECWVCSKCK-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000465861126 502406386 /nfs/dbraw/zinc/40/63/86/502406386.db2.gz YLUWIECWVCSKCK-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000465861126 502406390 /nfs/dbraw/zinc/40/63/90/502406390.db2.gz YLUWIECWVCSKCK-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000465864216 502406909 /nfs/dbraw/zinc/40/69/09/502406909.db2.gz CMAROHBQTMJSTI-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000465864216 502406915 /nfs/dbraw/zinc/40/69/15/502406915.db2.gz CMAROHBQTMJSTI-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000465864216 502406919 /nfs/dbraw/zinc/40/69/19/502406919.db2.gz CMAROHBQTMJSTI-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000465878342 502411834 /nfs/dbraw/zinc/41/18/34/502411834.db2.gz SFGZNPMHBYGXHD-VQTJNVASSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)c2nccn21 ZINC000582589095 506312030 /nfs/dbraw/zinc/31/20/30/506312030.db2.gz DYJYCHURHXNAQZ-HGHGUNKESA-N 2 1 367.497 3.243 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465895855 502419471 /nfs/dbraw/zinc/41/94/71/502419471.db2.gz VZQMWADYUGNQKU-SFHVURJKSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)COC2 ZINC000479925619 502420732 /nfs/dbraw/zinc/42/07/32/502420732.db2.gz FEVYNFLOGCYXJW-KRWDZBQOSA-N 2 1 352.478 3.400 20 0 FGADMP c1csc(-c2nn(Cc3ccccc3)cc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479968887 502434214 /nfs/dbraw/zinc/43/42/14/502434214.db2.gz ZTZAPGIZYKXBRM-HDICACEKSA-N 2 1 364.518 3.311 20 0 FGADMP c1csc(-c2nn(Cc3ccccc3)cc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479968887 502434219 /nfs/dbraw/zinc/43/42/19/502434219.db2.gz ZTZAPGIZYKXBRM-HDICACEKSA-N 2 1 364.518 3.311 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483630170 502447713 /nfs/dbraw/zinc/44/77/13/502447713.db2.gz XBWYQKITRCMJLC-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711909 506317948 /nfs/dbraw/zinc/31/79/48/506317948.db2.gz UZWZMUUMCKKWLD-FHWLQOOXSA-N 2 1 373.541 3.143 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480058080 502459876 /nfs/dbraw/zinc/45/98/76/502459876.db2.gz JMTRJWSOUUQZBX-SFHVURJKSA-N 2 1 353.466 3.217 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480058080 502459881 /nfs/dbraw/zinc/45/98/81/502459881.db2.gz JMTRJWSOUUQZBX-SFHVURJKSA-N 2 1 353.466 3.217 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483710895 502471380 /nfs/dbraw/zinc/47/13/80/502471380.db2.gz MJDFWXVBUMIUMA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483710895 502471384 /nfs/dbraw/zinc/47/13/84/502471384.db2.gz MJDFWXVBUMIUMA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483710895 502471387 /nfs/dbraw/zinc/47/13/87/502471387.db2.gz MJDFWXVBUMIUMA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462534754 502477808 /nfs/dbraw/zinc/47/78/08/502477808.db2.gz MJCBMKMDAFAHFE-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000466097768 502478310 /nfs/dbraw/zinc/47/83/10/502478310.db2.gz FZABBXCGIADOFO-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472970076 502487992 /nfs/dbraw/zinc/48/79/92/502487992.db2.gz KLAADWGEBINFCM-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000466147881 502489277 /nfs/dbraw/zinc/48/92/77/502489277.db2.gz YRJNABKCMWEDMZ-AZUAARDMSA-N 2 1 360.546 3.067 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)[NH+]1CCCC1 ZINC000476481369 502500703 /nfs/dbraw/zinc/50/07/03/502500703.db2.gz BODOURAOCDYODV-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP C[N@H+](Cc1cccc(Br)c1OC(F)F)CC(C)(C)C[NH3+] ZINC000469851695 502567738 /nfs/dbraw/zinc/56/77/38/502567738.db2.gz CSIBEEOKKZXSMQ-UHFFFAOYSA-N 2 1 351.235 3.467 20 0 FGADMP C[N@@H+](Cc1cccc(Br)c1OC(F)F)CC(C)(C)C[NH3+] ZINC000469851695 502567743 /nfs/dbraw/zinc/56/77/43/502567743.db2.gz CSIBEEOKKZXSMQ-UHFFFAOYSA-N 2 1 351.235 3.467 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H](CO)Cc1ccc(F)cc1 ZINC000480468456 502576993 /nfs/dbraw/zinc/57/69/93/502576993.db2.gz KQUCDTONMVZSDQ-OAQYLSRUSA-N 2 1 358.501 3.477 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000476752099 502578129 /nfs/dbraw/zinc/57/81/29/502578129.db2.gz CLXZKBNZNZNCNZ-IXDOHACOSA-N 2 1 361.530 3.401 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000476752099 502578133 /nfs/dbraw/zinc/57/81/33/502578133.db2.gz CLXZKBNZNZNCNZ-IXDOHACOSA-N 2 1 361.530 3.401 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCCO ZINC000484131316 502578460 /nfs/dbraw/zinc/57/84/60/502578460.db2.gz QETCJYJLRNPPEG-WIYYLYMNSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccccc1OCCO ZINC000484131316 502578465 /nfs/dbraw/zinc/57/84/65/502578465.db2.gz QETCJYJLRNPPEG-WIYYLYMNSA-N 2 1 354.494 3.058 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CCN([C@H](C)c3ccccc3)CC2)n(C)c1C ZINC000462798818 502579375 /nfs/dbraw/zinc/57/93/75/502579375.db2.gz SZZWXKCJOJSQSB-MRXNPFEDSA-N 2 1 369.509 3.435 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)n(C)c1C ZINC000462798818 502579377 /nfs/dbraw/zinc/57/93/77/502579377.db2.gz SZZWXKCJOJSQSB-MRXNPFEDSA-N 2 1 369.509 3.435 20 0 FGADMP O[C@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000484150967 502585661 /nfs/dbraw/zinc/58/56/61/502585661.db2.gz ZDALZVYAVGMQQS-GOTSBHOMSA-N 2 1 350.506 3.234 20 0 FGADMP O[C@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000484150967 502585667 /nfs/dbraw/zinc/58/56/67/502585667.db2.gz ZDALZVYAVGMQQS-GOTSBHOMSA-N 2 1 350.506 3.234 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000462860399 502602324 /nfs/dbraw/zinc/60/23/24/502602324.db2.gz FZORVWXDRFGWQN-SXSPYAJSSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462860399 502602327 /nfs/dbraw/zinc/60/23/27/502602327.db2.gz FZORVWXDRFGWQN-SXSPYAJSSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462860399 502602333 /nfs/dbraw/zinc/60/23/33/502602333.db2.gz FZORVWXDRFGWQN-SXSPYAJSSA-N 2 1 365.521 3.186 20 0 FGADMP CCSc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000480571404 502606584 /nfs/dbraw/zinc/60/65/84/502606584.db2.gz IXKYHTIPORGXFL-GOSISDBHSA-N 2 1 363.571 3.287 20 0 FGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480596631 502615749 /nfs/dbraw/zinc/61/57/49/502615749.db2.gz WGQUAAWMPIGFHI-TZIWHRDSSA-N 2 1 359.558 3.303 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc4c3NCC4)CC2)C[C@H](C)O1 ZINC000469985464 502618386 /nfs/dbraw/zinc/61/83/86/502618386.db2.gz YCLRVZYMROXUKB-HDICACEKSA-N 2 1 357.542 3.366 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000469990235 502620873 /nfs/dbraw/zinc/62/08/73/502620873.db2.gz IGWCQNUVOHKMIT-LVNQGSGBSA-N 2 1 355.526 3.171 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041820 502657061 /nfs/dbraw/zinc/65/70/61/502657061.db2.gz GMQWWVFXDSAVKO-SFHVURJKSA-N 2 1 351.922 3.137 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000480763953 502664515 /nfs/dbraw/zinc/66/45/15/502664515.db2.gz WZFVMFBBQASBDO-FKBYEOEOSA-N 2 1 367.622 3.470 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802405 502675268 /nfs/dbraw/zinc/67/52/68/502675268.db2.gz JALXNBKARLUSJU-SIKLNZKXSA-N 2 1 370.541 3.158 20 0 FGADMP CN1CCN(c2ncc(C[N@H+]3CCCC4(CCCCC4)CC3)cn2)CC1 ZINC000470141139 502675993 /nfs/dbraw/zinc/67/59/93/502675993.db2.gz NFMIPNGKTJRDRO-UHFFFAOYSA-N 2 1 357.546 3.165 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCC4(CCCCC4)CC3)cn2)CC1 ZINC000470141139 502675997 /nfs/dbraw/zinc/67/59/97/502675997.db2.gz NFMIPNGKTJRDRO-UHFFFAOYSA-N 2 1 357.546 3.165 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000463055959 502677843 /nfs/dbraw/zinc/67/78/43/502677843.db2.gz DMFAZGSSJBJUBO-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCn3cnc4ccccc43)CC2)cc1 ZINC000463066526 502682377 /nfs/dbraw/zinc/68/23/77/502682377.db2.gz HXMHIXYLQOATAN-UHFFFAOYSA-N 2 1 366.484 3.472 20 0 FGADMP CCCN(CC[N@@H+]1CCCOCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000463074535 502685373 /nfs/dbraw/zinc/68/53/73/502685373.db2.gz GMDAIMHLJYFDLJ-JOCHJYFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCN(CC[N@H+]1CCCOCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000463074535 502685377 /nfs/dbraw/zinc/68/53/77/502685377.db2.gz GMDAIMHLJYFDLJ-JOCHJYFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCN(CC[NH+]1CCCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000463074535 502685383 /nfs/dbraw/zinc/68/53/83/502685383.db2.gz GMDAIMHLJYFDLJ-JOCHJYFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCCN(CC[NH+]1CCCOCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000463074535 502685387 /nfs/dbraw/zinc/68/53/87/502685387.db2.gz GMDAIMHLJYFDLJ-JOCHJYFZSA-N 2 1 359.558 3.085 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473736353 502691481 /nfs/dbraw/zinc/69/14/81/502691481.db2.gz AKROZPLHTNTGGY-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473736353 502691483 /nfs/dbraw/zinc/69/14/83/502691483.db2.gz AKROZPLHTNTGGY-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473736353 502691488 /nfs/dbraw/zinc/69/14/88/502691488.db2.gz AKROZPLHTNTGGY-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4c(c3)CCO4)CC2)cc1 ZINC000463120049 502700680 /nfs/dbraw/zinc/70/06/80/502700680.db2.gz SNRGLXJHFSFDFJ-UHFFFAOYSA-N 2 1 350.506 3.461 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463204001 502718709 /nfs/dbraw/zinc/71/87/09/502718709.db2.gz HTVIDDGTQJMMKU-HLAWJBBLSA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463204001 502718712 /nfs/dbraw/zinc/71/87/12/502718712.db2.gz HTVIDDGTQJMMKU-HLAWJBBLSA-N 2 1 367.541 3.032 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCOC[C@@H]1[C@H]1CCCO1 ZINC000463209848 502720516 /nfs/dbraw/zinc/72/05/16/502720516.db2.gz AZVXCPZZNLTABX-NHCUHLMSSA-N 2 1 357.498 3.395 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488507087 502735569 /nfs/dbraw/zinc/73/55/69/502735569.db2.gz VWALLGMJVSPMFG-BBTUJRGHSA-N 2 1 372.557 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1 ZINC000488507087 502735571 /nfs/dbraw/zinc/73/55/71/502735571.db2.gz VWALLGMJVSPMFG-BBTUJRGHSA-N 2 1 372.557 3.010 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000488523959 502741308 /nfs/dbraw/zinc/74/13/08/502741308.db2.gz WFCWWZOOJLRLDG-OAQYLSRUSA-N 2 1 366.509 3.481 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000488523959 502741314 /nfs/dbraw/zinc/74/13/14/502741314.db2.gz WFCWWZOOJLRLDG-OAQYLSRUSA-N 2 1 366.509 3.481 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000488555291 502749930 /nfs/dbraw/zinc/74/99/30/502749930.db2.gz GCMTZVHITZOZFC-CTNGQTDRSA-N 2 1 374.573 3.315 20 0 FGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1OC ZINC000484842852 502752548 /nfs/dbraw/zinc/75/25/48/502752548.db2.gz AJLBXDZOJXOWNI-OTWHNJEPSA-N 2 1 362.514 3.121 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2)C[C@H](C)O1 ZINC000470375154 502754047 /nfs/dbraw/zinc/75/40/47/502754047.db2.gz MCHWQVPUYLKZKT-HOTGVXAUSA-N 2 1 365.477 3.151 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000481175559 502773140 /nfs/dbraw/zinc/77/31/40/502773140.db2.gz WQJVSKIHWXWLRE-PZJWPPBQSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000481175559 502773145 /nfs/dbraw/zinc/77/31/45/502773145.db2.gz WQJVSKIHWXWLRE-PZJWPPBQSA-N 2 1 359.558 3.380 20 0 FGADMP CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[NH+](CC)CC ZINC000484938892 502781694 /nfs/dbraw/zinc/78/16/94/502781694.db2.gz MIZGURGIWKVIAX-PCCBWWKXSA-N 2 1 357.542 3.087 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474019715 502781876 /nfs/dbraw/zinc/78/18/76/502781876.db2.gz XASHFDDACFODDB-NQIIRXRSSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474019715 502781882 /nfs/dbraw/zinc/78/18/82/502781882.db2.gz XASHFDDACFODDB-NQIIRXRSSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000474019715 502781887 /nfs/dbraw/zinc/78/18/87/502781887.db2.gz XASHFDDACFODDB-NQIIRXRSSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474042571 502787755 /nfs/dbraw/zinc/78/77/55/502787755.db2.gz YBCZEQNHICYGCZ-KOUHRCEDSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474042571 502787760 /nfs/dbraw/zinc/78/77/60/502787760.db2.gz YBCZEQNHICYGCZ-KOUHRCEDSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474042571 502787766 /nfs/dbraw/zinc/78/77/66/502787766.db2.gz YBCZEQNHICYGCZ-KOUHRCEDSA-N 2 1 372.557 3.336 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000474051665 502790889 /nfs/dbraw/zinc/79/08/89/502790889.db2.gz CJSFRHNMDSWIFJ-IBGZPJMESA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000500816107 502869635 /nfs/dbraw/zinc/86/96/35/502869635.db2.gz WWPBHHHVMJINHL-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000496411291 502888099 /nfs/dbraw/zinc/88/80/99/502888099.db2.gz LQTZKWGNTBPIAS-UYAOXDASSA-N 2 1 373.541 3.165 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000496411291 502888103 /nfs/dbraw/zinc/88/81/03/502888103.db2.gz LQTZKWGNTBPIAS-UYAOXDASSA-N 2 1 373.541 3.165 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000489275715 502916534 /nfs/dbraw/zinc/91/65/34/502916534.db2.gz HHEBCZOIOKEEDO-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP C[C@@H](c1ccccc1Br)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000501039294 502919295 /nfs/dbraw/zinc/91/92/95/502919295.db2.gz VWMHAXQYFMPKQX-HNNXBMFYSA-N 2 1 354.336 3.079 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045897 502921035 /nfs/dbraw/zinc/92/10/35/502921035.db2.gz OFXPEQHMUJEIJR-VQTJNVASSA-N 2 1 360.546 3.161 20 0 FGADMP CC(C)N(C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000501063595 502925762 /nfs/dbraw/zinc/92/57/62/502925762.db2.gz QJSMTWRTIXTZEL-SFHVURJKSA-N 2 1 360.546 3.264 20 0 FGADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063282 502925831 /nfs/dbraw/zinc/92/58/31/502925831.db2.gz NFLCHDZYVHHQRX-SFHVURJKSA-N 2 1 366.509 3.281 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586530 502942111 /nfs/dbraw/zinc/94/21/11/502942111.db2.gz HIWVRARCKIFJFS-IRXDYDNUSA-N 2 1 364.534 3.130 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493906 502952237 /nfs/dbraw/zinc/95/22/37/502952237.db2.gz DLPZZRGLMZTVIQ-PKOBYXMFSA-N 2 1 368.525 3.107 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C[C@H](C)O1 ZINC000513505465 502955443 /nfs/dbraw/zinc/95/54/43/502955443.db2.gz KOGCAWJLYCMSIL-JQVVWYNYSA-N 2 1 368.525 3.239 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505703228 502970133 /nfs/dbraw/zinc/97/01/33/502970133.db2.gz MMASCMYCBMGPFC-RTBURBONSA-N 2 1 362.562 3.101 20 0 FGADMP COCC[C@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497495847 502973185 /nfs/dbraw/zinc/97/31/85/502973185.db2.gz OPFGBLAMSGCVFR-IUPYZPJSSA-N 2 1 357.542 3.007 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516138 502977522 /nfs/dbraw/zinc/97/75/22/502977522.db2.gz FXWOCJWRASMXIY-PXNSSMCTSA-N 2 1 374.525 3.119 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516138 502977528 /nfs/dbraw/zinc/97/75/28/502977528.db2.gz FXWOCJWRASMXIY-PXNSSMCTSA-N 2 1 374.525 3.119 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520234 502977887 /nfs/dbraw/zinc/97/78/87/502977887.db2.gz CHFYNXZIYVXUTQ-UYAOXDASSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520234 502977898 /nfs/dbraw/zinc/97/78/98/502977898.db2.gz CHFYNXZIYVXUTQ-UYAOXDASSA-N 2 1 373.541 3.201 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000513665165 502995554 /nfs/dbraw/zinc/99/55/54/502995554.db2.gz BXHSXYHRPZRREN-USXIJHARSA-N 2 1 353.304 3.420 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000513665165 502995555 /nfs/dbraw/zinc/99/55/55/502995555.db2.gz BXHSXYHRPZRREN-USXIJHARSA-N 2 1 353.304 3.420 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000501491970 503019670 /nfs/dbraw/zinc/01/96/70/503019670.db2.gz QCBQQSFKEFZZBO-CEXWTWQISA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000501491970 503019674 /nfs/dbraw/zinc/01/96/74/503019674.db2.gz QCBQQSFKEFZZBO-CEXWTWQISA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000501491970 503019678 /nfs/dbraw/zinc/01/96/78/503019678.db2.gz QCBQQSFKEFZZBO-CEXWTWQISA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000501508049 503023688 /nfs/dbraw/zinc/02/36/88/503023688.db2.gz XYNJSJVZUYHUOT-SJLPKXTDSA-N 2 1 366.575 3.305 20 0 FGADMP OC(C[NH+]1CC[C@@H](c2ccccc2)C1)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000497767092 503036877 /nfs/dbraw/zinc/03/68/77/503036877.db2.gz IGZKTWURAJRCKY-FGZHOGPDSA-N 2 1 350.506 3.326 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501555773 503037098 /nfs/dbraw/zinc/03/70/98/503037098.db2.gz XHNUDZWADIAAQN-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP CSCC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)N(C)C ZINC000489829310 503044390 /nfs/dbraw/zinc/04/43/90/503044390.db2.gz ROBIRHHGZQSOLC-KSSFIOAISA-N 2 1 360.527 3.041 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000513899970 503044702 /nfs/dbraw/zinc/04/47/02/503044702.db2.gz NQVXUKQHJPFUQG-UHFFFAOYSA-N 2 1 374.573 3.068 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810055 503046096 /nfs/dbraw/zinc/04/60/96/503046096.db2.gz XMOLKIOOCQIDAM-PMACEKPBSA-N 2 1 358.526 3.263 20 0 FGADMP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501734554 503069284 /nfs/dbraw/zinc/06/92/84/503069284.db2.gz KUCNDEQFZGBRGO-GOSISDBHSA-N 2 1 367.484 3.120 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OCc1ccncc1 ZINC000489986566 503082730 /nfs/dbraw/zinc/08/27/30/503082730.db2.gz FUKCOVKKPGCORJ-IBGZPJMESA-N 2 1 355.482 3.373 20 0 FGADMP CCC(CC)([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514112173 503090659 /nfs/dbraw/zinc/09/06/59/503090659.db2.gz WWBZGHRKHVSGKW-UHFFFAOYSA-N 2 1 351.922 3.109 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000514138779 503096833 /nfs/dbraw/zinc/09/68/33/503096833.db2.gz SUUOKTNIOFYOAN-QFIPXVFZSA-N 2 1 365.521 3.114 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000498155393 503119795 /nfs/dbraw/zinc/11/97/95/503119795.db2.gz JHDYLEMHSPKNRW-PKOBYXMFSA-N 2 1 369.513 3.001 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596841 503151962 /nfs/dbraw/zinc/15/19/62/503151962.db2.gz DFGXCGCUAWGBCO-VXKWHMMOSA-N 2 1 371.569 3.464 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596841 503151965 /nfs/dbraw/zinc/15/19/65/503151965.db2.gz DFGXCGCUAWGBCO-VXKWHMMOSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596841 503151969 /nfs/dbraw/zinc/15/19/69/503151969.db2.gz DFGXCGCUAWGBCO-VXKWHMMOSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596841 503151974 /nfs/dbraw/zinc/15/19/74/503151974.db2.gz DFGXCGCUAWGBCO-VXKWHMMOSA-N 2 1 371.569 3.464 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506812336 503177317 /nfs/dbraw/zinc/17/73/17/503177317.db2.gz CIAXKBRZQFXYSV-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506812336 503177323 /nfs/dbraw/zinc/17/73/23/503177323.db2.gz CIAXKBRZQFXYSV-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506812336 503177326 /nfs/dbraw/zinc/17/73/26/503177326.db2.gz CIAXKBRZQFXYSV-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000498405172 503180480 /nfs/dbraw/zinc/18/04/80/503180480.db2.gz ZBWZYTMSMHHQPR-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000498405175 503180655 /nfs/dbraw/zinc/18/06/55/503180655.db2.gz ZBWZYTMSMHHQPR-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)CCc2c(F)cccc2F)CC1 ZINC000510736177 503181893 /nfs/dbraw/zinc/18/18/93/503181893.db2.gz QGLCVVLUAQXJEQ-QGZVFWFLSA-N 2 1 353.501 3.293 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000498505894 503198668 /nfs/dbraw/zinc/19/86/68/503198668.db2.gz NUMPDBCMHVHFQF-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP C[C@@H]1CC[C@H](CN(CCn2ccnc2)Cc2ccc(Br)o2)O1 ZINC000510963937 503225879 /nfs/dbraw/zinc/22/58/79/503225879.db2.gz BRHYCQGFGVOQPJ-ZIAGYGMSSA-N 2 1 368.275 3.308 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000490889225 503242295 /nfs/dbraw/zinc/24/22/95/503242295.db2.gz UTWQXMURESVWSY-KRWDZBQOSA-N 2 1 354.498 3.362 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000490889225 503242303 /nfs/dbraw/zinc/24/23/03/503242303.db2.gz UTWQXMURESVWSY-KRWDZBQOSA-N 2 1 354.498 3.362 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709396 503243839 /nfs/dbraw/zinc/24/38/39/503243839.db2.gz IVAQWWJRIWVRJL-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709396 503243844 /nfs/dbraw/zinc/24/38/44/503243844.db2.gz IVAQWWJRIWVRJL-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709396 503243848 /nfs/dbraw/zinc/24/38/48/503243848.db2.gz IVAQWWJRIWVRJL-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000491059959 503267466 /nfs/dbraw/zinc/26/74/66/503267466.db2.gz LYQPNKJHVMHUGD-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000491059959 503267468 /nfs/dbraw/zinc/26/74/68/503267468.db2.gz LYQPNKJHVMHUGD-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000491059959 503267472 /nfs/dbraw/zinc/26/74/72/503267472.db2.gz LYQPNKJHVMHUGD-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP COC(=O)c1ccc(Cl)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000511152308 503269510 /nfs/dbraw/zinc/26/95/10/503269510.db2.gz YXXCIUFHSDJHGQ-OAHLLOKOSA-N 2 1 350.890 3.290 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000502798887 503275038 /nfs/dbraw/zinc/27/50/38/503275038.db2.gz NWDWPEWACACHHU-MJGOQNOKSA-N 2 1 358.530 3.043 20 0 FGADMP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848444 503275841 /nfs/dbraw/zinc/27/58/41/503275841.db2.gz DBCXQSUIXXRZFQ-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848444 503275843 /nfs/dbraw/zinc/27/58/43/503275843.db2.gz DBCXQSUIXXRZFQ-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)ccc21 ZINC000511242057 503285750 /nfs/dbraw/zinc/28/57/50/503285750.db2.gz LSYWVJIGNJCCSZ-HNAYVOBHSA-N 2 1 371.506 3.366 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCCO3)CC23CC3)cc1 ZINC000515300568 503309816 /nfs/dbraw/zinc/30/98/16/503309816.db2.gz JFXHYWSEIKIIGE-SFTDATJTSA-N 2 1 358.526 3.359 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCCO3)CC23CC3)cc1 ZINC000515300568 503309817 /nfs/dbraw/zinc/30/98/17/503309817.db2.gz JFXHYWSEIKIIGE-SFTDATJTSA-N 2 1 358.526 3.359 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484851 503312556 /nfs/dbraw/zinc/31/25/56/503312556.db2.gz LHCILPOAAKNQBB-UTKZUKDTSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484851 503312560 /nfs/dbraw/zinc/31/25/60/503312560.db2.gz LHCILPOAAKNQBB-UTKZUKDTSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198184 503364965 /nfs/dbraw/zinc/36/49/65/503364965.db2.gz KKOJXQFTNANEIF-ZWKOTPCHSA-N 2 1 371.525 3.045 20 0 FGADMP CC[C@@H]1C[C@H](C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000507800227 503368426 /nfs/dbraw/zinc/36/84/26/503368426.db2.gz ZCACLNWRZLCOFZ-KOUHRCEDSA-N 2 1 352.563 3.403 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499328604 503381213 /nfs/dbraw/zinc/38/12/13/503381213.db2.gz LSACKXNFURIPLO-JXFKEZNVSA-N 2 1 369.513 3.415 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499328604 503381217 /nfs/dbraw/zinc/38/12/17/503381217.db2.gz LSACKXNFURIPLO-JXFKEZNVSA-N 2 1 369.513 3.415 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503376303 503397012 /nfs/dbraw/zinc/39/70/12/503397012.db2.gz KCUSKYGCHUUWDQ-KZNAEPCWSA-N 2 1 358.530 3.188 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503376303 503397014 /nfs/dbraw/zinc/39/70/14/503397014.db2.gz KCUSKYGCHUUWDQ-KZNAEPCWSA-N 2 1 358.530 3.188 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390456 503399439 /nfs/dbraw/zinc/39/94/39/503399439.db2.gz LTOJHBJAWWLAGC-BQFCYCMXSA-N 2 1 364.534 3.128 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@H+]1C ZINC000511882873 503407276 /nfs/dbraw/zinc/40/72/76/503407276.db2.gz XOQSNOLBHDNJOI-YZGWKJHDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882873 503407279 /nfs/dbraw/zinc/40/72/79/503407279.db2.gz XOQSNOLBHDNJOI-YZGWKJHDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882873 503407281 /nfs/dbraw/zinc/40/72/81/503407281.db2.gz XOQSNOLBHDNJOI-YZGWKJHDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CCC[N@H+]1C ZINC000511882872 503407399 /nfs/dbraw/zinc/40/73/99/503407399.db2.gz XOQSNOLBHDNJOI-RLLQIKCJSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882872 503407401 /nfs/dbraw/zinc/40/74/01/503407401.db2.gz XOQSNOLBHDNJOI-RLLQIKCJSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC[NH+]1C ZINC000511882872 503407403 /nfs/dbraw/zinc/40/74/03/503407403.db2.gz XOQSNOLBHDNJOI-RLLQIKCJSA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccc1Cl ZINC000499496984 503418976 /nfs/dbraw/zinc/41/89/76/503418976.db2.gz GTKBKGQLLKLNJO-GOSISDBHSA-N 2 1 365.949 3.147 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccc(F)cn1 ZINC000493305671 503419317 /nfs/dbraw/zinc/41/93/17/503419317.db2.gz QHZTXZYIKLTPIC-HXUWFJFHSA-N 2 1 357.473 3.418 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)s1 ZINC000512099982 503456988 /nfs/dbraw/zinc/45/69/88/503456988.db2.gz QKACQUSJPYGALB-UHFFFAOYSA-N 2 1 361.511 3.043 20 0 FGADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000493944205 503463385 /nfs/dbraw/zinc/46/33/85/503463385.db2.gz HOGUSCGHCIJNAW-KRWDZBQOSA-N 2 1 367.331 3.181 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494079380 503484125 /nfs/dbraw/zinc/48/41/25/503484125.db2.gz NPBPQKZLJZVOMN-SYYKKAFVSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000499797364 503485069 /nfs/dbraw/zinc/48/50/69/503485069.db2.gz OEBPTBHJGXHKHK-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH2+]C[C@@](C)(O)C[N@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000516300599 503490139 /nfs/dbraw/zinc/49/01/39/503490139.db2.gz DTDPJVZAZJXXDR-HXUWFJFHSA-N 2 1 370.522 3.003 20 0 FGADMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000516300599 503490141 /nfs/dbraw/zinc/49/01/41/503490141.db2.gz DTDPJVZAZJXXDR-HXUWFJFHSA-N 2 1 370.522 3.003 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@H](C)C(=O)N3CCCCC3)C2)s1 ZINC000516574248 503540234 /nfs/dbraw/zinc/54/02/34/503540234.db2.gz MKLZEZKJZVPNPA-QZTJIDSGSA-N 2 1 363.571 3.211 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416600 503543955 /nfs/dbraw/zinc/54/39/55/503543955.db2.gz ANHZPRKFLAZTNC-CTNGQTDRSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550893 /nfs/dbraw/zinc/55/08/93/503550893.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@H](O)C[C@H]1CCCCC[NH+]1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550895 /nfs/dbraw/zinc/55/08/95/503550895.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@H](O)C[C@H]1CCCCC[NH+]1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439323 503550897 /nfs/dbraw/zinc/55/08/97/503550897.db2.gz QAMQONNZYSBDCY-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000516622254 503553008 /nfs/dbraw/zinc/55/30/08/503553008.db2.gz DPFBBHNLFPZSSS-XMSQKQJNSA-N 2 1 374.488 3.497 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000500230980 503584518 /nfs/dbraw/zinc/58/45/18/503584518.db2.gz AARNIEJEFYKSNX-OAQYLSRUSA-N 2 1 357.542 3.137 20 0 FGADMP C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512581454 503588479 /nfs/dbraw/zinc/58/84/79/503588479.db2.gz HRYCKXRAGKEBHY-IXXDHKBRSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512581454 503588483 /nfs/dbraw/zinc/58/84/83/503588483.db2.gz HRYCKXRAGKEBHY-IXXDHKBRSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512581454 503588490 /nfs/dbraw/zinc/58/84/90/503588490.db2.gz HRYCKXRAGKEBHY-IXXDHKBRSA-N 2 1 373.324 3.290 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000494894638 503632288 /nfs/dbraw/zinc/63/22/88/503632288.db2.gz BENRNTWGPTYSAQ-YADHBBJMSA-N 2 1 363.505 3.143 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000517029833 503648092 /nfs/dbraw/zinc/64/80/92/503648092.db2.gz CWFRHVJGIUEVBI-AWEZNQCLSA-N 2 1 366.431 3.414 20 0 FGADMP Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920793 503656651 /nfs/dbraw/zinc/65/66/51/503656651.db2.gz XCFPFKZFXHOGRJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920793 503656660 /nfs/dbraw/zinc/65/66/60/503656660.db2.gz XCFPFKZFXHOGRJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532920793 503656663 /nfs/dbraw/zinc/65/66/63/503656663.db2.gz XCFPFKZFXHOGRJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000532920793 503656671 /nfs/dbraw/zinc/65/66/71/503656671.db2.gz XCFPFKZFXHOGRJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118869 503674178 /nfs/dbraw/zinc/67/41/78/503674178.db2.gz JCBBIVCBZMNFFM-GJZGRUSLSA-N 2 1 371.978 3.380 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[NH+]2CCCCC2)cc1 ZINC000532983315 503686456 /nfs/dbraw/zinc/68/64/56/503686456.db2.gz DQBJQHZACSHFHY-HXUWFJFHSA-N 2 1 373.541 3.070 20 0 FGADMP Cn1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000527238967 503734073 /nfs/dbraw/zinc/73/40/73/503734073.db2.gz WKLHCAMFVXSTLJ-SFHVURJKSA-N 2 1 367.518 3.212 20 0 FGADMP c1coc(-c2noc(CN3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000517441836 503746717 /nfs/dbraw/zinc/74/67/17/503746717.db2.gz HNIYVKUHDMGOMW-QZTJIDSGSA-N 2 1 364.449 3.284 20 0 FGADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1COc2ccccc2O1 ZINC000543396972 503752410 /nfs/dbraw/zinc/75/24/10/503752410.db2.gz SLAIRMNAHNLENJ-IBGZPJMESA-N 2 1 364.449 3.238 20 0 FGADMP O[C@@]1(CNCc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000533187827 503754458 /nfs/dbraw/zinc/75/44/58/503754458.db2.gz SSPUCRZQYQGJNI-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000533187827 503754466 /nfs/dbraw/zinc/75/44/66/503754466.db2.gz SSPUCRZQYQGJNI-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000533187827 503754468 /nfs/dbraw/zinc/75/44/68/503754468.db2.gz SSPUCRZQYQGJNI-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000536934871 503766351 /nfs/dbraw/zinc/76/63/51/503766351.db2.gz CQCMVTFIEMLEOZ-IRXDYDNUSA-N 2 1 366.933 3.430 20 0 FGADMP Cc1ccc(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000533282141 503790303 /nfs/dbraw/zinc/79/03/03/503790303.db2.gz RUKKBQXYQKYEON-UHFFFAOYSA-N 2 1 351.538 3.287 20 0 FGADMP CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287208 503791657 /nfs/dbraw/zinc/79/16/57/503791657.db2.gz WVPKABYWGXWRTP-CTNGQTDRSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CC=C(C)CC1)c1ccsc1 ZINC000546567750 503791863 /nfs/dbraw/zinc/79/18/63/503791863.db2.gz JGXQVVZCLXRGFO-GOSISDBHSA-N 2 1 364.559 3.082 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000530023353 503796663 /nfs/dbraw/zinc/79/66/63/503796663.db2.gz UXMVBVKZZAXKJH-OAQYLSRUSA-N 2 1 355.526 3.419 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000517705675 503813866 /nfs/dbraw/zinc/81/38/66/503813866.db2.gz SNQCYQWIOZTPNA-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000517705675 503813868 /nfs/dbraw/zinc/81/38/68/503813868.db2.gz SNQCYQWIOZTPNA-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000517705675 503813870 /nfs/dbraw/zinc/81/38/70/503813870.db2.gz SNQCYQWIOZTPNA-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000517705675 503813873 /nfs/dbraw/zinc/81/38/73/503813873.db2.gz SNQCYQWIOZTPNA-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C(=O)NCC4)CC2)C1 ZINC000543599433 503825200 /nfs/dbraw/zinc/82/52/00/503825200.db2.gz TZBFSUCBAOGLEI-UZLBHIALSA-N 2 1 355.526 3.105 20 0 FGADMP C[C@@H]1C[NH+](CC2CCN(c3cc[nH+]cc3Br)CC2)C[C@@H](C)O1 ZINC000546653693 503825735 /nfs/dbraw/zinc/82/57/35/503825735.db2.gz FKOZNARIEXPXRT-ZIAGYGMSSA-N 2 1 368.319 3.170 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000540593367 503826568 /nfs/dbraw/zinc/82/65/68/503826568.db2.gz HCCZPTFYUCJNFC-NRFANRHFSA-N 2 1 357.542 3.450 20 0 FGADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000533396001 503829530 /nfs/dbraw/zinc/82/95/30/503829530.db2.gz JFZHAQOQLGNHMM-UHFFFAOYSA-N 2 1 357.473 3.088 20 0 FGADMP COC(=O)c1coc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634400 503836182 /nfs/dbraw/zinc/83/61/82/503836182.db2.gz ZCCQXKCFWIZPEJ-AEFFLSMTSA-N 2 1 356.466 3.457 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628416 503838420 /nfs/dbraw/zinc/83/84/20/503838420.db2.gz ZTEOYXWFCFMCLG-FUHWJXTLSA-N 2 1 356.466 3.457 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CC(C)C)C3CC3)CC2)cc1 ZINC000537260621 503862507 /nfs/dbraw/zinc/86/25/07/503862507.db2.gz XTBYIEYZAUMACX-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC(C)C)C3CC3)CC2)cc1 ZINC000537260621 503862513 /nfs/dbraw/zinc/86/25/13/503862513.db2.gz XTBYIEYZAUMACX-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC(C)C)C3CC3)CC2)cc1 ZINC000537260621 503862518 /nfs/dbraw/zinc/86/25/18/503862518.db2.gz XTBYIEYZAUMACX-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000543713761 503863144 /nfs/dbraw/zinc/86/31/44/503863144.db2.gz UTBKTEZWQLGFAU-QUCCMNQESA-N 2 1 366.509 3.077 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527633331 503868001 /nfs/dbraw/zinc/86/80/01/503868001.db2.gz YLLFSCVYYSZHSI-UHFFFAOYSA-N 2 1 355.305 3.085 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000543762212 503883124 /nfs/dbraw/zinc/88/31/24/503883124.db2.gz ISNZKCFPDVAAFX-KKSHJYNMSA-N 2 1 368.521 3.321 20 0 FGADMP Brc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530240655 503889202 /nfs/dbraw/zinc/88/92/02/503889202.db2.gz MWQSISREHUFDKD-AWEZNQCLSA-N 2 1 359.333 3.101 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccccc3CC[NH3+])c2)C[C@H](C)O1 ZINC000518208211 503927274 /nfs/dbraw/zinc/92/72/74/503927274.db2.gz UNIJGQGTJYKGIP-IRXDYDNUSA-N 2 1 367.493 3.049 20 0 FGADMP COc1cccc(C[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)n1 ZINC000544011041 503970961 /nfs/dbraw/zinc/97/09/61/503970961.db2.gz NSSCLNGRKOFDDW-QGZVFWFLSA-N 2 1 361.530 3.034 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402360 503975104 /nfs/dbraw/zinc/97/51/04/503975104.db2.gz XNEFNOJZCDVCGM-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402360 503975108 /nfs/dbraw/zinc/97/51/08/503975108.db2.gz XNEFNOJZCDVCGM-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402360 503975111 /nfs/dbraw/zinc/97/51/11/503975111.db2.gz XNEFNOJZCDVCGM-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438130 503983368 /nfs/dbraw/zinc/98/33/68/503983368.db2.gz MIUVVHNKIMBMAG-NQIIRXRSSA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438130 503983374 /nfs/dbraw/zinc/98/33/74/503983374.db2.gz MIUVVHNKIMBMAG-NQIIRXRSSA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438130 503983378 /nfs/dbraw/zinc/98/33/78/503983378.db2.gz MIUVVHNKIMBMAG-NQIIRXRSSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000518457680 503990875 /nfs/dbraw/zinc/99/08/75/503990875.db2.gz IWSUUKPWHKPROZ-FGSXEWAUSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000518457680 503990879 /nfs/dbraw/zinc/99/08/79/503990879.db2.gz IWSUUKPWHKPROZ-FGSXEWAUSA-N 2 1 357.542 3.060 20 0 FGADMP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697866 504009922 /nfs/dbraw/zinc/00/99/22/504009922.db2.gz PGDXGEXOVUWRTE-QUCCMNQESA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697866 504009926 /nfs/dbraw/zinc/00/99/26/504009926.db2.gz PGDXGEXOVUWRTE-QUCCMNQESA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000537697866 504009932 /nfs/dbraw/zinc/00/99/32/504009932.db2.gz PGDXGEXOVUWRTE-QUCCMNQESA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000537697866 504009940 /nfs/dbraw/zinc/00/99/40/504009940.db2.gz PGDXGEXOVUWRTE-QUCCMNQESA-N 2 1 374.525 3.169 20 0 FGADMP C[C@@H](NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947197 504010170 /nfs/dbraw/zinc/01/01/70/504010170.db2.gz KDZFNZRKTTVKEH-OXQOHEQNSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(NC2CC[NH+](C)CC2)c1 ZINC000537757192 504029525 /nfs/dbraw/zinc/02/95/25/504029525.db2.gz PMKUWVIWBWFNAL-HNNXBMFYSA-N 2 1 362.493 3.145 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528016299 504041307 /nfs/dbraw/zinc/04/13/07/504041307.db2.gz RDSLGBSBLQKTTP-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547281521 504046917 /nfs/dbraw/zinc/04/69/17/504046917.db2.gz BWPMGYXGUXZLEQ-SGTLLEGYSA-N 2 1 365.930 3.489 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547281521 504046923 /nfs/dbraw/zinc/04/69/23/504046923.db2.gz BWPMGYXGUXZLEQ-SGTLLEGYSA-N 2 1 365.930 3.489 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281086 504047107 /nfs/dbraw/zinc/04/71/07/504047107.db2.gz XISDDCADLZRXJS-SQNIBIBYSA-N 2 1 356.432 3.388 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281086 504047109 /nfs/dbraw/zinc/04/71/09/504047109.db2.gz XISDDCADLZRXJS-SQNIBIBYSA-N 2 1 356.432 3.388 20 0 FGADMP COc1ccccc1/C=C/C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518748306 504054132 /nfs/dbraw/zinc/05/41/32/504054132.db2.gz KPUWWKYHDZUSTK-MTCRFPMVSA-N 2 1 371.550 3.348 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000547367966 504079211 /nfs/dbraw/zinc/07/92/11/504079211.db2.gz XSMCCTZKSPJJFH-SJORKVTESA-N 2 1 371.525 3.161 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000547367966 504079214 /nfs/dbraw/zinc/07/92/14/504079214.db2.gz XSMCCTZKSPJJFH-SJORKVTESA-N 2 1 371.525 3.161 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946348 504092018 /nfs/dbraw/zinc/09/20/18/504092018.db2.gz AREGZVCIQAKBGP-XPNTWCBSSA-N 2 1 373.585 3.406 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000530822581 504096529 /nfs/dbraw/zinc/09/65/29/504096529.db2.gz YOAWIGHLSIXIPD-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000544350632 504099026 /nfs/dbraw/zinc/09/90/26/504099026.db2.gz KARUANYOOHYSDP-MRXNPFEDSA-N 2 1 364.453 3.216 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977242 504100402 /nfs/dbraw/zinc/10/04/02/504100402.db2.gz ZRNKVZPDRKHZBS-PKOBYXMFSA-N 2 1 371.550 3.368 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977242 504100408 /nfs/dbraw/zinc/10/04/08/504100408.db2.gz ZRNKVZPDRKHZBS-PKOBYXMFSA-N 2 1 371.550 3.368 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000544394884 504117375 /nfs/dbraw/zinc/11/73/75/504117375.db2.gz STXSEMKVUGEEQR-IAGOWNOFSA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000544394884 504117377 /nfs/dbraw/zinc/11/73/77/504117377.db2.gz STXSEMKVUGEEQR-IAGOWNOFSA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000544394884 504117380 /nfs/dbraw/zinc/11/73/80/504117380.db2.gz STXSEMKVUGEEQR-IAGOWNOFSA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000544394884 504117382 /nfs/dbraw/zinc/11/73/82/504117382.db2.gz STXSEMKVUGEEQR-IAGOWNOFSA-N 2 1 354.922 3.194 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000519017930 504119723 /nfs/dbraw/zinc/11/97/23/504119723.db2.gz XQBCITJSSOYYEO-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP COc1cc(OC)c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1 ZINC000534347839 504119814 /nfs/dbraw/zinc/11/98/14/504119814.db2.gz ZEDRRYVDCMVGGA-UHFFFAOYSA-N 2 1 350.503 3.265 20 0 FGADMP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541433330 504127646 /nfs/dbraw/zinc/12/76/46/504127646.db2.gz DJLSJUTUDUMLGS-ZWKOTPCHSA-N 2 1 358.530 3.046 20 0 FGADMP C[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000541513671 504156823 /nfs/dbraw/zinc/15/68/23/504156823.db2.gz GARLOJKMPBBFAF-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000541513671 504156829 /nfs/dbraw/zinc/15/68/29/504156829.db2.gz GARLOJKMPBBFAF-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000541513671 504156835 /nfs/dbraw/zinc/15/68/35/504156835.db2.gz GARLOJKMPBBFAF-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000541513671 504156839 /nfs/dbraw/zinc/15/68/39/504156839.db2.gz GARLOJKMPBBFAF-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633604 504162525 /nfs/dbraw/zinc/16/25/25/504162525.db2.gz RWCNBDJVZJKSBW-RBBKRZOGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000547633604 504162530 /nfs/dbraw/zinc/16/25/30/504162530.db2.gz RWCNBDJVZJKSBW-RBBKRZOGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000547633604 504162534 /nfs/dbraw/zinc/16/25/34/504162534.db2.gz RWCNBDJVZJKSBW-RBBKRZOGSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534445 504168035 /nfs/dbraw/zinc/16/80/35/504168035.db2.gz QBKQGHIORJOKGR-SJLPKXTDSA-N 2 1 369.513 3.093 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000519228260 504170561 /nfs/dbraw/zinc/17/05/61/504170561.db2.gz BXDACQTUYQVIMV-CQSZACIVSA-N 2 1 353.457 3.346 20 0 FGADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605288 504188647 /nfs/dbraw/zinc/18/86/47/504188647.db2.gz JTURZJYRSNXYJB-QZTJIDSGSA-N 2 1 374.529 3.108 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000534611370 504190871 /nfs/dbraw/zinc/19/08/71/504190871.db2.gz OCXSSYBEFOTFTI-MISYRCLQSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534611370 504190877 /nfs/dbraw/zinc/19/08/77/504190877.db2.gz OCXSSYBEFOTFTI-MISYRCLQSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000534611370 504190881 /nfs/dbraw/zinc/19/08/81/504190881.db2.gz OCXSSYBEFOTFTI-MISYRCLQSA-N 2 1 372.557 3.242 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398021 504233839 /nfs/dbraw/zinc/23/38/39/504233839.db2.gz AVKMSFGGGZWCPQ-FCHUYYIVSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)s1 ZINC000541740522 504239462 /nfs/dbraw/zinc/23/94/62/504239462.db2.gz CLZBSCZVYUGQPP-INIZCTEOSA-N 2 1 357.523 3.230 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526547 504261227 /nfs/dbraw/zinc/26/12/27/504261227.db2.gz JSRXFZPXABWCNA-NRFANRHFSA-N 2 1 363.521 3.005 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922999 504303720 /nfs/dbraw/zinc/30/37/20/504303720.db2.gz WOPMHLSBLXGFPR-WMZOPIPTSA-N 2 1 355.482 3.192 20 0 FGADMP CN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548061172 504314845 /nfs/dbraw/zinc/31/48/45/504314845.db2.gz NEXSNZKPZDDJJU-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548061172 504314848 /nfs/dbraw/zinc/31/48/48/504314848.db2.gz NEXSNZKPZDDJJU-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548061172 504314852 /nfs/dbraw/zinc/31/48/52/504314852.db2.gz NEXSNZKPZDDJJU-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP c1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000535086523 504339779 /nfs/dbraw/zinc/33/97/79/504339779.db2.gz AYLDFBVSTQGSBA-TZIWHRDSSA-N 2 1 358.526 3.389 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155494 504350943 /nfs/dbraw/zinc/35/09/43/504350943.db2.gz UIRZATKMBFWYBH-YUXAGFNASA-N 2 1 370.512 3.477 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538751502 504357957 /nfs/dbraw/zinc/35/79/57/504357957.db2.gz SXQUTVGHPGRDJM-HNNXBMFYSA-N 2 1 374.481 3.392 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538751502 504357961 /nfs/dbraw/zinc/35/79/61/504357961.db2.gz SXQUTVGHPGRDJM-HNNXBMFYSA-N 2 1 374.481 3.392 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC000538761617 504361433 /nfs/dbraw/zinc/36/14/33/504361433.db2.gz OWSKHADXSFVUCB-UHFFFAOYSA-N 2 1 370.516 3.364 20 0 FGADMP Cc1cccc2cc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)oc21 ZINC000519931231 504387384 /nfs/dbraw/zinc/38/73/84/504387384.db2.gz ABLRAYKZCUNBSB-UHFFFAOYSA-N 2 1 350.422 3.140 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000538866732 504398418 /nfs/dbraw/zinc/39/84/18/504398418.db2.gz BOYNYDQMCSYLPL-KRWDZBQOSA-N 2 1 355.320 3.384 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1)CC(C)C ZINC000542252326 504423718 /nfs/dbraw/zinc/42/37/18/504423718.db2.gz CWJGIEVQBPKPJY-MRXNPFEDSA-N 2 1 352.523 3.357 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1)CC(C)C ZINC000542252326 504423720 /nfs/dbraw/zinc/42/37/20/504423720.db2.gz CWJGIEVQBPKPJY-MRXNPFEDSA-N 2 1 352.523 3.357 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178250 504428000 /nfs/dbraw/zinc/42/80/00/504428000.db2.gz WTDLZVWEZHXCTQ-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520178250 504428006 /nfs/dbraw/zinc/42/80/06/504428006.db2.gz WTDLZVWEZHXCTQ-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000520178250 504428008 /nfs/dbraw/zinc/42/80/08/504428008.db2.gz WTDLZVWEZHXCTQ-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000520231321 504441873 /nfs/dbraw/zinc/44/18/73/504441873.db2.gz UADLAJBPUMSRHT-BBWFWOEESA-N 2 1 369.465 3.078 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000520231321 504441879 /nfs/dbraw/zinc/44/18/79/504441879.db2.gz UADLAJBPUMSRHT-BBWFWOEESA-N 2 1 369.465 3.078 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242382 504444373 /nfs/dbraw/zinc/44/43/73/504444373.db2.gz LDBWXVXNMDBQRJ-PKOBYXMFSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520242382 504444376 /nfs/dbraw/zinc/44/43/76/504444376.db2.gz LDBWXVXNMDBQRJ-PKOBYXMFSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520242382 504444380 /nfs/dbraw/zinc/44/43/80/504444380.db2.gz LDBWXVXNMDBQRJ-PKOBYXMFSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc3sccc3c2)CC1 ZINC000531856036 504447136 /nfs/dbraw/zinc/44/71/36/504447136.db2.gz PDIWBFCQFPABBR-UHFFFAOYSA-N 2 1 352.463 3.300 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505659 504454831 /nfs/dbraw/zinc/45/48/31/504454831.db2.gz KSHZBURUNRRNGN-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505659 504454835 /nfs/dbraw/zinc/45/48/35/504454835.db2.gz KSHZBURUNRRNGN-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505659 504454839 /nfs/dbraw/zinc/45/48/39/504454839.db2.gz KSHZBURUNRRNGN-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505659 504454843 /nfs/dbraw/zinc/45/48/43/504454843.db2.gz KSHZBURUNRRNGN-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056528 504460872 /nfs/dbraw/zinc/46/08/72/504460872.db2.gz NZWAXVINKLZNRB-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056528 504460873 /nfs/dbraw/zinc/46/08/73/504460873.db2.gz NZWAXVINKLZNRB-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996424 504487228 /nfs/dbraw/zinc/48/72/28/504487228.db2.gz OVXWYMQXHUGRKO-DNVCBOLYSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996424 504487236 /nfs/dbraw/zinc/48/72/36/504487236.db2.gz OVXWYMQXHUGRKO-DNVCBOLYSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000528996424 504487240 /nfs/dbraw/zinc/48/72/40/504487240.db2.gz OVXWYMQXHUGRKO-DNVCBOLYSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000528996424 504487246 /nfs/dbraw/zinc/48/72/46/504487246.db2.gz OVXWYMQXHUGRKO-DNVCBOLYSA-N 2 1 361.917 3.071 20 0 FGADMP CCc1ccc(CC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000539147324 504487718 /nfs/dbraw/zinc/48/77/18/504487718.db2.gz RBWHYFYAJRCGLT-PMACEKPBSA-N 2 1 374.569 3.382 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1)CC(C)C ZINC000539176180 504492032 /nfs/dbraw/zinc/49/20/32/504492032.db2.gz MZAPFBPBGYGBBQ-SFHVURJKSA-N 2 1 354.583 3.116 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000531976430 504493076 /nfs/dbraw/zinc/49/30/76/504493076.db2.gz AVMKUXQSWGVPTI-PGRDOPGGSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000531976430 504493082 /nfs/dbraw/zinc/49/30/82/504493082.db2.gz AVMKUXQSWGVPTI-PGRDOPGGSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000539215586 504499971 /nfs/dbraw/zinc/49/99/71/504499971.db2.gz LFOWYGSCVKFLKD-LAUBAEHRSA-N 2 1 358.913 3.498 20 0 FGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000539215586 504499976 /nfs/dbraw/zinc/49/99/76/504499976.db2.gz LFOWYGSCVKFLKD-LAUBAEHRSA-N 2 1 358.913 3.498 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000542472395 504504136 /nfs/dbraw/zinc/50/41/36/504504136.db2.gz KUWCCXNIELXZRH-PXNSSMCTSA-N 2 1 363.452 3.396 20 0 FGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250613 504511978 /nfs/dbraw/zinc/51/19/78/504511978.db2.gz AMBOLZJQYOLYOX-UYAOXDASSA-N 2 1 373.541 3.213 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529461 504527964 /nfs/dbraw/zinc/52/79/64/504527964.db2.gz FFJMZWPAQYQCNE-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529461 504527969 /nfs/dbraw/zinc/52/79/69/504527969.db2.gz FFJMZWPAQYQCNE-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000535818662 504554487 /nfs/dbraw/zinc/55/44/87/504554487.db2.gz GBWBKUIKBWDCJJ-WOJBJXKFSA-N 2 1 359.558 3.464 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000532192749 504568713 /nfs/dbraw/zinc/56/87/13/504568713.db2.gz JCADJRMSIQXMOY-INIZCTEOSA-N 2 1 366.465 3.452 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520734732 504569594 /nfs/dbraw/zinc/56/95/94/504569594.db2.gz PXMQQBIUVIKRMV-ICSRJNTNSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734732 504569597 /nfs/dbraw/zinc/56/95/97/504569597.db2.gz PXMQQBIUVIKRMV-ICSRJNTNSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734732 504569600 /nfs/dbraw/zinc/56/96/00/504569600.db2.gz PXMQQBIUVIKRMV-ICSRJNTNSA-N 2 1 373.516 3.171 20 0 FGADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532226030 504579250 /nfs/dbraw/zinc/57/92/50/504579250.db2.gz QGMWKCICLRWUNC-UXHICEINSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1C(F)(F)F ZINC000532227765 504580329 /nfs/dbraw/zinc/58/03/29/504580329.db2.gz UZRNHSOCPSRNHN-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NCC2=CC[N@@H+](C)CC2)CCCC1)c1ccccc1 ZINC000539475457 504583716 /nfs/dbraw/zinc/58/37/16/504583716.db2.gz QBZDSYLCZINEKZ-SFHVURJKSA-N 2 1 370.541 3.211 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1)CC1CC1 ZINC000542763303 504599351 /nfs/dbraw/zinc/59/93/51/504599351.db2.gz TXBONXQKHIVONX-UHFFFAOYSA-N 2 1 372.557 3.123 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1)CC1CC1 ZINC000542763303 504599356 /nfs/dbraw/zinc/59/93/56/504599356.db2.gz TXBONXQKHIVONX-UHFFFAOYSA-N 2 1 372.557 3.123 20 0 FGADMP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000521061646 504640908 /nfs/dbraw/zinc/64/09/08/504640908.db2.gz JLQBMNDIWICIJQ-UHFFFAOYSA-N 2 1 361.445 3.328 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000542948828 504670290 /nfs/dbraw/zinc/67/02/90/504670290.db2.gz BUWNSMLGOHBDFK-MRXNPFEDSA-N 2 1 369.431 3.273 20 0 FGADMP CSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1F ZINC000532505512 504674638 /nfs/dbraw/zinc/67/46/38/504674638.db2.gz KHFPYZIQRMGVIE-CQSZACIVSA-N 2 1 367.534 3.141 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCc2ccccc21 ZINC000521193842 504675092 /nfs/dbraw/zinc/67/50/92/504675092.db2.gz VDDRJYVHWZNNBL-OAQYLSRUSA-N 2 1 355.526 3.129 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1 ZINC000542964713 504675344 /nfs/dbraw/zinc/67/53/44/504675344.db2.gz MRKPUKHXZCDOFS-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546050980 504688834 /nfs/dbraw/zinc/68/88/34/504688834.db2.gz BVMDVDKDHJPWOX-UYAOXDASSA-N 2 1 365.525 3.211 20 0 FGADMP C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546050980 504688841 /nfs/dbraw/zinc/68/88/41/504688841.db2.gz BVMDVDKDHJPWOX-UYAOXDASSA-N 2 1 365.525 3.211 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)CC1 ZINC000546054189 504691473 /nfs/dbraw/zinc/69/14/73/504691473.db2.gz CRONFWMLTIFDFR-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1)Cc1ccccc1 ZINC000549139224 504700051 /nfs/dbraw/zinc/70/00/51/504700051.db2.gz TTWQYVFAEBPTIL-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000529534040 504718216 /nfs/dbraw/zinc/71/82/16/504718216.db2.gz YKSKJGXJGVDHSL-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccsc2Br)C1 ZINC000529534040 504718224 /nfs/dbraw/zinc/71/82/24/504718224.db2.gz YKSKJGXJGVDHSL-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1Cl ZINC000521422555 504732139 /nfs/dbraw/zinc/73/21/39/504732139.db2.gz OZZTYKLUQJGRSG-YOEHRIQHSA-N 2 1 364.946 3.436 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000521427224 504735011 /nfs/dbraw/zinc/73/50/11/504735011.db2.gz HWFOFGDFQSBWKK-QZTJIDSGSA-N 2 1 355.526 3.155 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000521427224 504735014 /nfs/dbraw/zinc/73/50/14/504735014.db2.gz HWFOFGDFQSBWKK-QZTJIDSGSA-N 2 1 355.526 3.155 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900373 504735230 /nfs/dbraw/zinc/73/52/30/504735230.db2.gz XTOLLSQWWYASRI-SVFBPWRDSA-N 2 1 358.526 3.474 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900373 504735233 /nfs/dbraw/zinc/73/52/33/504735233.db2.gz XTOLLSQWWYASRI-SVFBPWRDSA-N 2 1 358.526 3.474 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1F ZINC000521518677 504751390 /nfs/dbraw/zinc/75/13/90/504751390.db2.gz GFFIGRSLXNJRAZ-HXUWFJFHSA-N 2 1 372.488 3.447 20 0 FGADMP O=C1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CN1C1CC1 ZINC000565095183 504792449 /nfs/dbraw/zinc/79/24/49/504792449.db2.gz QYVIBUFUCUIVFK-NMIHRBCNSA-N 2 1 367.537 3.030 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000556194597 504816879 /nfs/dbraw/zinc/81/68/79/504816879.db2.gz WDDFXFGFZJJCKA-SJORKVTESA-N 2 1 363.303 3.071 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000556194597 504816880 /nfs/dbraw/zinc/81/68/80/504816880.db2.gz WDDFXFGFZJJCKA-SJORKVTESA-N 2 1 363.303 3.071 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000565227831 504830508 /nfs/dbraw/zinc/83/05/08/504830508.db2.gz BXJNGPDZCLPBIB-QGZVFWFLSA-N 2 1 374.554 3.268 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549584792 504854285 /nfs/dbraw/zinc/85/42/85/504854285.db2.gz SBKIUQFVKLCNGU-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000559517396 504879828 /nfs/dbraw/zinc/87/98/28/504879828.db2.gz GXIDTMUYBSAQTD-QGZVFWFLSA-N 2 1 362.477 3.496 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000549737518 504884832 /nfs/dbraw/zinc/88/48/32/504884832.db2.gz LCEIKDPSBWBFTQ-MSOLQXFVSA-N 2 1 359.539 3.378 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559737957 504919225 /nfs/dbraw/zinc/91/92/25/504919225.db2.gz YSVPPVTVDZWQST-VURPSTOHSA-N 2 1 359.558 3.299 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559737957 504919229 /nfs/dbraw/zinc/91/92/29/504919229.db2.gz YSVPPVTVDZWQST-VURPSTOHSA-N 2 1 359.558 3.299 20 0 FGADMP Cn1cccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879865 504923870 /nfs/dbraw/zinc/92/38/70/504923870.db2.gz NPEYVHGNVDCFGI-HXUWFJFHSA-N 2 1 353.510 3.044 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000565579510 504928449 /nfs/dbraw/zinc/92/84/49/504928449.db2.gz FNUBQHWYZIDMQR-FQEVSTJZSA-N 2 1 357.542 3.201 20 0 FGADMP Cc1ncc2n1C[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513799 504936934 /nfs/dbraw/zinc/93/69/34/504936934.db2.gz OIJGXCMVNRZBRE-XLIONFOSSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513799 504936937 /nfs/dbraw/zinc/93/69/37/504936937.db2.gz OIJGXCMVNRZBRE-XLIONFOSSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513799 504936940 /nfs/dbraw/zinc/93/69/40/504936940.db2.gz OIJGXCMVNRZBRE-XLIONFOSSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000565654949 504950663 /nfs/dbraw/zinc/95/06/63/504950663.db2.gz ZMPSTXLCMAVCCD-PXNSSMCTSA-N 2 1 360.542 3.272 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550123578 504972043 /nfs/dbraw/zinc/97/20/43/504972043.db2.gz PCTSNIWTFDXQEC-UHFFFAOYSA-N 2 1 355.526 3.230 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000565827811 505000352 /nfs/dbraw/zinc/00/03/52/505000352.db2.gz IYKXMBVZCSAQBH-VYDXJSESSA-N 2 1 350.528 3.194 20 0 FGADMP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884084 505005866 /nfs/dbraw/zinc/00/58/66/505005866.db2.gz PIZLLRBUUAFKHK-PCCBWWKXSA-N 2 1 367.541 3.121 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000562989910 505012073 /nfs/dbraw/zinc/01/20/73/505012073.db2.gz BMVXWGPTWQJCGV-RXVVDRJESA-N 2 1 356.510 3.147 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000556938375 505024260 /nfs/dbraw/zinc/02/42/60/505024260.db2.gz POUXUEVFROCDRN-PXNSSMCTSA-N 2 1 372.582 3.453 20 0 FGADMP CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000563122790 505053448 /nfs/dbraw/zinc/05/34/48/505053448.db2.gz DMJGFNHOZQTMLZ-YRPNKDGESA-N 2 1 355.526 3.171 20 0 FGADMP CC(C)(C)N1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000563122790 505053453 /nfs/dbraw/zinc/05/34/53/505053453.db2.gz DMJGFNHOZQTMLZ-YRPNKDGESA-N 2 1 355.526 3.171 20 0 FGADMP O=C1CCCN1[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000563203170 505074475 /nfs/dbraw/zinc/07/44/75/505074475.db2.gz FIOSJSZLPYPGGQ-NRFANRHFSA-N 2 1 355.526 3.259 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000557214080 505094250 /nfs/dbraw/zinc/09/42/50/505094250.db2.gz SFWHIIQZJTUHSN-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132267 505101097 /nfs/dbraw/zinc/10/10/97/505101097.db2.gz NSZSRIKIAXLKIW-AVRDEDQJSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132267 505101102 /nfs/dbraw/zinc/10/11/02/505101102.db2.gz NSZSRIKIAXLKIW-AVRDEDQJSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccs1 ZINC000566185389 505106880 /nfs/dbraw/zinc/10/68/80/505106880.db2.gz BOLZCCGXIVGVRC-DBXWQHBBSA-N 2 1 371.550 3.207 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000566196679 505110424 /nfs/dbraw/zinc/11/04/24/505110424.db2.gz QBUYITAQSCKSHT-GFCCVEGCSA-N 2 1 370.324 3.215 20 0 FGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000550837492 505112440 /nfs/dbraw/zinc/11/24/40/505112440.db2.gz YOCHGRWDPQHJBA-WLRLJWMZSA-N 2 1 357.542 3.324 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000566211164 505112737 /nfs/dbraw/zinc/11/27/37/505112737.db2.gz GKWPFGLPLWRMTI-KRWDZBQOSA-N 2 1 353.441 3.280 20 0 FGADMP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000560528974 505116039 /nfs/dbraw/zinc/11/60/39/505116039.db2.gz QMMONRLOLQWPAC-INIZCTEOSA-N 2 1 353.501 3.149 20 0 FGADMP FC(F)(F)c1cnc(NCC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000560603797 505141033 /nfs/dbraw/zinc/14/10/33/505141033.db2.gz DOBZDNXUHUHEQS-UHFFFAOYSA-N 2 1 362.827 3.382 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000566332918 505145901 /nfs/dbraw/zinc/14/59/01/505145901.db2.gz WRDWWHMSKVYYKA-RXVVDRJESA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000566332918 505145911 /nfs/dbraw/zinc/14/59/11/505145911.db2.gz WRDWWHMSKVYYKA-RXVVDRJESA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000566332918 505145916 /nfs/dbraw/zinc/14/59/16/505145916.db2.gz WRDWWHMSKVYYKA-RXVVDRJESA-N 2 1 360.546 3.069 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)C[C@@H]1c1ccccc1 ZINC000551051163 505147787 /nfs/dbraw/zinc/14/77/87/505147787.db2.gz OGMQQFCIIOPOSW-MIZPHKNDSA-N 2 1 363.505 3.496 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)C[C@@H]1c1ccccc1 ZINC000551051163 505147789 /nfs/dbraw/zinc/14/77/89/505147789.db2.gz OGMQQFCIIOPOSW-MIZPHKNDSA-N 2 1 363.505 3.496 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000551238743 505183747 /nfs/dbraw/zinc/18/37/47/505183747.db2.gz DIFZVGJFGABQRS-FYYLOGMGSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000551238743 505183751 /nfs/dbraw/zinc/18/37/51/505183751.db2.gz DIFZVGJFGABQRS-FYYLOGMGSA-N 2 1 365.521 3.448 20 0 FGADMP Cn1ccnc1[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000554489251 505185884 /nfs/dbraw/zinc/18/58/84/505185884.db2.gz JISWGNUKBNZXLF-HNAYVOBHSA-N 2 1 358.461 3.029 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643110 505191667 /nfs/dbraw/zinc/19/16/67/505191667.db2.gz DVEADCINZWGDHL-AVRDEDQJSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CCc3ccccc3)CC2)CC1 ZINC000561067570 505242433 /nfs/dbraw/zinc/24/24/33/505242433.db2.gz KZXBWWMTLGABJW-LJQANCHMSA-N 2 1 371.569 3.320 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537087 505246509 /nfs/dbraw/zinc/24/65/09/505246509.db2.gz LSCRRJNZWUJQJL-NHCUHLMSSA-N 2 1 359.558 3.240 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537088 505246520 /nfs/dbraw/zinc/24/65/20/505246520.db2.gz LSCRRJNZWUJQJL-RTWAWAEBSA-N 2 1 359.558 3.240 20 0 FGADMP COc1cc(OC)cc(OCCC[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000563816694 505246853 /nfs/dbraw/zinc/24/68/53/505246853.db2.gz QYBSHOSFBANWCE-UHFFFAOYSA-N 2 1 370.493 3.250 20 0 FGADMP Cn1c[nH+]cc1CCc1nc(-c2ccccc2C[NH+]2CCCCC2)no1 ZINC000554796286 505267347 /nfs/dbraw/zinc/26/73/47/505267347.db2.gz BXBRVZAEVCOOOR-UHFFFAOYSA-N 2 1 351.454 3.241 20 0 FGADMP C[N@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000551650169 505274239 /nfs/dbraw/zinc/27/42/39/505274239.db2.gz JABHHNQFTOTOER-IBGZPJMESA-N 2 1 363.933 3.325 20 0 FGADMP C[N@@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000551650169 505274242 /nfs/dbraw/zinc/27/42/42/505274242.db2.gz JABHHNQFTOTOER-IBGZPJMESA-N 2 1 363.933 3.325 20 0 FGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cc1 ZINC000563936792 505280659 /nfs/dbraw/zinc/28/06/59/505280659.db2.gz LHJCRDSUQARYOA-VSKRKVRLSA-N 2 1 363.505 3.318 20 0 FGADMP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000563951215 505286050 /nfs/dbraw/zinc/28/60/50/505286050.db2.gz RNJQUJOIZNTJHC-QGZVFWFLSA-N 2 1 371.447 3.128 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863083 505294443 /nfs/dbraw/zinc/29/44/43/505294443.db2.gz GUVMIKOXGRXSTI-MQSCRBSSSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863083 505294447 /nfs/dbraw/zinc/29/44/47/505294447.db2.gz GUVMIKOXGRXSTI-MQSCRBSSSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863083 505294451 /nfs/dbraw/zinc/29/44/51/505294451.db2.gz GUVMIKOXGRXSTI-MQSCRBSSSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863083 505294454 /nfs/dbraw/zinc/29/44/54/505294454.db2.gz GUVMIKOXGRXSTI-MQSCRBSSSA-N 2 1 371.569 3.478 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279257 505301863 /nfs/dbraw/zinc/30/18/63/505301863.db2.gz NANSNWHYMWPCKG-MOPGFXCFSA-N 2 1 368.525 3.150 20 0 FGADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000558146758 505319673 /nfs/dbraw/zinc/31/96/73/505319673.db2.gz NMAHZZYLXGDHMY-FKVLARQCSA-N 2 1 369.553 3.106 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 ZINC000566987809 505331349 /nfs/dbraw/zinc/33/13/49/505331349.db2.gz GLASAJUHBFIZPG-OXQOHEQNSA-N 2 1 361.505 3.340 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000564149046 505338029 /nfs/dbraw/zinc/33/80/29/505338029.db2.gz YUWUVMNIETXZAC-MRXNPFEDSA-N 2 1 368.905 3.044 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000564149046 505338033 /nfs/dbraw/zinc/33/80/33/505338033.db2.gz YUWUVMNIETXZAC-MRXNPFEDSA-N 2 1 368.905 3.044 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000551978322 505359956 /nfs/dbraw/zinc/35/99/56/505359956.db2.gz MSKQDBQOQAYVER-KRWDZBQOSA-N 2 1 362.514 3.179 20 0 FGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000561541606 505373172 /nfs/dbraw/zinc/37/31/72/505373172.db2.gz KQMIIJUBDRDSKO-MOPGFXCFSA-N 2 1 372.538 3.063 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@](C)(C[NH3+])C1)C1CCCCC1 ZINC000567147009 505376573 /nfs/dbraw/zinc/37/65/73/505376573.db2.gz GXZDJVBFGPCVPY-JOCHJYFZSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@H]1CCC[C@](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447279 505392492 /nfs/dbraw/zinc/39/24/92/505392492.db2.gz JLMVCWWMMOUGPK-RXVVDRJESA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760218 505429196 /nfs/dbraw/zinc/42/91/96/505429196.db2.gz APUODCFWEVSKLP-TXPKVOOTSA-N 2 1 369.509 3.297 20 0 FGADMP Cc1cc(CNC(=O)NCC2([NH+](C)C)CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000558608359 505438247 /nfs/dbraw/zinc/43/82/47/505438247.db2.gz PCIPSCHRFSZDRJ-UHFFFAOYSA-N 2 1 373.545 3.054 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000552246477 505439947 /nfs/dbraw/zinc/43/99/47/505439947.db2.gz VUYZBPFPAFUTOU-QHAWAJNXSA-N 2 1 355.526 3.001 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)CCCC2)CC1 ZINC000567451706 505467486 /nfs/dbraw/zinc/46/74/86/505467486.db2.gz IIAHHNHNMYQUMP-OALUTQOASA-N 2 1 374.573 3.460 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000561947909 505475661 /nfs/dbraw/zinc/47/56/61/505475661.db2.gz JEDMPOKGIRICAA-GFRNBQLOSA-N 2 1 369.553 3.455 20 0 FGADMP C[NH+](CC(O)C[N@H+](C)C1CCC(F)(F)CC1)C1CCC(F)(F)CC1 ZINC000561960577 505479039 /nfs/dbraw/zinc/47/90/39/505479039.db2.gz CADRGIDYAGCFAR-UHFFFAOYSA-N 2 1 354.432 3.367 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000561976305 505483131 /nfs/dbraw/zinc/48/31/31/505483131.db2.gz OTJSPLQQSUBNIJ-UHFFFAOYSA-N 2 1 358.511 3.271 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)sc(=O)n2C ZINC000561976305 505483132 /nfs/dbraw/zinc/48/31/32/505483132.db2.gz OTJSPLQQSUBNIJ-UHFFFAOYSA-N 2 1 358.511 3.271 20 0 FGADMP CC[N@H+](CCC[NH+](C)C)CC1=Cc2cc(Br)ccc2OC1 ZINC000561980827 505484508 /nfs/dbraw/zinc/48/45/08/505484508.db2.gz ZBGQCSMKLMMXMA-UHFFFAOYSA-N 2 1 353.304 3.499 20 0 FGADMP CC[N@@H+](CCC[NH+](C)C)CC1=Cc2cc(Br)ccc2OC1 ZINC000561980827 505484512 /nfs/dbraw/zinc/48/45/12/505484512.db2.gz ZBGQCSMKLMMXMA-UHFFFAOYSA-N 2 1 353.304 3.499 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@@H](O)COc2ccccc2C)cc1F ZINC000552495429 505503281 /nfs/dbraw/zinc/50/32/81/505503281.db2.gz XXKGFEUSRZXPHJ-GOSISDBHSA-N 2 1 369.440 3.158 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1 ZINC000564837080 505534178 /nfs/dbraw/zinc/53/41/78/505534178.db2.gz WXJBHYIJDDPSBW-LJQANCHMSA-N 2 1 365.521 3.438 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564890110 505550676 /nfs/dbraw/zinc/55/06/76/505550676.db2.gz ORAUGIWZJZNNQB-OAHLLOKOSA-N 2 1 371.447 3.128 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564890110 505550678 /nfs/dbraw/zinc/55/06/78/505550678.db2.gz ORAUGIWZJZNNQB-OAHLLOKOSA-N 2 1 371.447 3.128 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000567801181 505564276 /nfs/dbraw/zinc/56/42/76/505564276.db2.gz CXPQKVYKXFPORB-GFCCVEGCSA-N 2 1 370.324 3.215 20 0 FGADMP O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000567829421 505566534 /nfs/dbraw/zinc/56/65/34/505566534.db2.gz KIJRQYBOZWFLMU-SFHVURJKSA-N 2 1 367.468 3.322 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320471 506410759 /nfs/dbraw/zinc/41/07/59/506410759.db2.gz ZPKGWXQMDBTIPS-MAUKXSAKSA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320471 506410767 /nfs/dbraw/zinc/41/07/67/506410767.db2.gz ZPKGWXQMDBTIPS-MAUKXSAKSA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167795 506450571 /nfs/dbraw/zinc/45/05/71/506450571.db2.gz SZLSCSCIUCCVLW-RTWAWAEBSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904262 506481419 /nfs/dbraw/zinc/48/14/19/506481419.db2.gz JBFNGVNTSFQUJI-RTBURBONSA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)(C)N1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904262 506481424 /nfs/dbraw/zinc/48/14/24/506481424.db2.gz JBFNGVNTSFQUJI-RTBURBONSA-N 2 1 355.526 3.173 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1C ZINC000596650328 506510009 /nfs/dbraw/zinc/51/00/09/506510009.db2.gz OYCQVRJKTPOBRQ-PBOLBBRVSA-N 2 1 362.489 3.229 20 0 FGADMP CCCN(CC(=O)N1CCN(Cc2ccsc2)CC1)Cc1ccccc1 ZINC000582976970 506518803 /nfs/dbraw/zinc/51/88/03/506518803.db2.gz AIKAWAQFSLWPBM-UHFFFAOYSA-N 2 1 371.550 3.305 20 0 FGADMP O[C@]1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000608384400 506535999 /nfs/dbraw/zinc/53/59/99/506535999.db2.gz VHGBMYYZSBFFPN-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP O[C@]1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000608384400 506536003 /nfs/dbraw/zinc/53/60/03/506536003.db2.gz VHGBMYYZSBFFPN-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000599636753 506543369 /nfs/dbraw/zinc/54/33/69/506543369.db2.gz MBNUYQMMLPEVGA-KRWDZBQOSA-N 2 1 357.498 3.372 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000583123511 506603004 /nfs/dbraw/zinc/60/30/04/506603004.db2.gz BHANPXHCHAFFGJ-SFTDATJTSA-N 2 1 368.525 3.068 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)[C@@H](c2ccccc2)C1 ZINC000589639816 506614690 /nfs/dbraw/zinc/61/46/90/506614690.db2.gz WMFNLYGZBBMUPI-JOCHJYFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)[C@@H](c2ccccc2)C1 ZINC000589639816 506614694 /nfs/dbraw/zinc/61/46/94/506614694.db2.gz WMFNLYGZBBMUPI-JOCHJYFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)[C@@H](c2ccccc2)C1 ZINC000589639816 506614699 /nfs/dbraw/zinc/61/46/99/506614699.db2.gz WMFNLYGZBBMUPI-JOCHJYFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634592 506642167 /nfs/dbraw/zinc/64/21/67/506642167.db2.gz QENDFSIMLWAROU-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634592 506642178 /nfs/dbraw/zinc/64/21/78/506642178.db2.gz QENDFSIMLWAROU-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688411 506666264 /nfs/dbraw/zinc/66/62/64/506666264.db2.gz IZSXOWCBIOPRFL-PMACEKPBSA-N 2 1 374.573 3.269 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604176082 506737967 /nfs/dbraw/zinc/73/79/67/506737967.db2.gz VMVXWQKIZSPRNN-HBMCJLEFSA-N 2 1 370.541 3.140 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184569 506740921 /nfs/dbraw/zinc/74/09/21/506740921.db2.gz XSBVKBVDOZYUBN-PZJWPPBQSA-N 2 1 372.557 3.243 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092933 506773023 /nfs/dbraw/zinc/77/30/23/506773023.db2.gz SGXDGJYPJCYSOD-OALUTQOASA-N 2 1 359.558 3.176 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000600197592 506837594 /nfs/dbraw/zinc/83/75/94/506837594.db2.gz SABUGFIMPWVXFZ-HNAYVOBHSA-N 2 1 370.497 3.375 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])cc1Br ZINC000583629475 506885967 /nfs/dbraw/zinc/88/59/67/506885967.db2.gz JUODEAOGRGUXGL-LRDDRELGSA-N 2 1 368.319 3.357 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656138 506903314 /nfs/dbraw/zinc/90/33/14/506903314.db2.gz CYIFTPMVNDXWJB-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727784 506920353 /nfs/dbraw/zinc/92/03/53/506920353.db2.gz KMNNISKDQATGCJ-VQTJNVASSA-N 2 1 359.558 3.381 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786695 506957752 /nfs/dbraw/zinc/95/77/52/506957752.db2.gz JXODNNILUGRYFJ-KRWDZBQOSA-N 2 1 361.530 3.465 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786695 506957758 /nfs/dbraw/zinc/95/77/58/506957758.db2.gz JXODNNILUGRYFJ-KRWDZBQOSA-N 2 1 361.530 3.465 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000590787136 506958844 /nfs/dbraw/zinc/95/88/44/506958844.db2.gz SSBOPYIMOXZCKA-CQSZACIVSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000590787136 506958848 /nfs/dbraw/zinc/95/88/48/506958848.db2.gz SSBOPYIMOXZCKA-CQSZACIVSA-N 2 1 353.457 3.344 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000600449151 506959066 /nfs/dbraw/zinc/95/90/66/506959066.db2.gz MLJJVXSCYWZUEV-LJQANCHMSA-N 2 1 361.530 3.011 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921539 507052637 /nfs/dbraw/zinc/05/26/37/507052637.db2.gz JGXHGTDWHFBBKQ-DYESRHJHSA-N 2 1 372.557 3.326 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104383 507117376 /nfs/dbraw/zinc/11/73/76/507117376.db2.gz DGKZBFQLMSWMCV-HKUYNNGSSA-N 2 1 373.472 3.050 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104383 507117380 /nfs/dbraw/zinc/11/73/80/507117380.db2.gz DGKZBFQLMSWMCV-HKUYNNGSSA-N 2 1 373.472 3.050 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128385 507125663 /nfs/dbraw/zinc/12/56/63/507125663.db2.gz ZTQRDCKARWVNSM-NHCUHLMSSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000591128385 507125672 /nfs/dbraw/zinc/12/56/72/507125672.db2.gz ZTQRDCKARWVNSM-NHCUHLMSSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000591128385 507125679 /nfs/dbraw/zinc/12/56/79/507125679.db2.gz ZTQRDCKARWVNSM-NHCUHLMSSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844101 507144404 /nfs/dbraw/zinc/14/44/04/507144404.db2.gz SAWRZYJNOPXPIJ-ROUUACIJSA-N 2 1 366.575 3.305 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203112 507152723 /nfs/dbraw/zinc/15/27/23/507152723.db2.gz DKIFOOOIYJJRBI-VXKWHMMOSA-N 2 1 371.569 3.178 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000600901447 507171150 /nfs/dbraw/zinc/17/11/50/507171150.db2.gz GHZKCBXOMJGDPW-NRFANRHFSA-N 2 1 372.557 3.216 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000584229989 507227130 /nfs/dbraw/zinc/22/71/30/507227130.db2.gz CUUVTZNKGWHXBI-TXPKVOOTSA-N 2 1 361.530 3.259 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000591452007 507256137 /nfs/dbraw/zinc/25/61/37/507256137.db2.gz NSFZZQVAKCYTSV-SFHVURJKSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000584323907 507280975 /nfs/dbraw/zinc/28/09/75/507280975.db2.gz NGKFZZBMEUXGDL-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323907 507280979 /nfs/dbraw/zinc/28/09/79/507280979.db2.gz NGKFZZBMEUXGDL-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323907 507280986 /nfs/dbraw/zinc/28/09/86/507280986.db2.gz NGKFZZBMEUXGDL-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000591548844 507288403 /nfs/dbraw/zinc/28/84/03/507288403.db2.gz SKVKIBXPHHZYEJ-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000591559430 507291564 /nfs/dbraw/zinc/29/15/64/507291564.db2.gz NGGUYVFQIUUPFK-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000591559430 507291575 /nfs/dbraw/zinc/29/15/75/507291575.db2.gz NGGUYVFQIUUPFK-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000591559430 507291580 /nfs/dbraw/zinc/29/15/80/507291580.db2.gz NGGUYVFQIUUPFK-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595145008 507408276 /nfs/dbraw/zinc/40/82/76/507408276.db2.gz YSASJRHVWNHLMF-MSOLQXFVSA-N 2 1 353.514 3.089 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000606540853 507439133 /nfs/dbraw/zinc/43/91/33/507439133.db2.gz NYWBUAAXUDWXQZ-PGRDOPGGSA-N 2 1 357.542 3.369 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614281566 507439676 /nfs/dbraw/zinc/43/96/76/507439676.db2.gz LSBLYMIZNIDWKN-ITAUSPCMSA-N 2 1 369.553 3.074 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)c1ccsc1 ZINC000606637835 507462277 /nfs/dbraw/zinc/46/22/77/507462277.db2.gz HJFJUTLSPIJWBY-ROUUACIJSA-N 2 1 366.575 3.113 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606640109 507463515 /nfs/dbraw/zinc/46/35/15/507463515.db2.gz GVYWGDUFYTVRHB-VQTJNVASSA-N 2 1 364.578 3.301 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(F)c2cccnc12 ZINC000584787860 507504704 /nfs/dbraw/zinc/50/47/04/507504704.db2.gz SEBMUUJIXHPFOR-SFHVURJKSA-N 2 1 358.505 3.222 20 0 FGADMP CC[C@@H](Cc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000601972542 507534461 /nfs/dbraw/zinc/53/44/61/507534461.db2.gz UYXSQDASRMRZLD-SFHVURJKSA-N 2 1 352.482 3.041 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000607246880 507670632 /nfs/dbraw/zinc/67/06/32/507670632.db2.gz SWIQGJJTHZLHNT-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283584 507677345 /nfs/dbraw/zinc/67/73/45/507677345.db2.gz JNHDSGWAVBIHSF-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283584 507677352 /nfs/dbraw/zinc/67/73/52/507677352.db2.gz JNHDSGWAVBIHSF-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000607283584 507677359 /nfs/dbraw/zinc/67/73/59/507677359.db2.gz JNHDSGWAVBIHSF-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000607283584 507677365 /nfs/dbraw/zinc/67/73/65/507677365.db2.gz JNHDSGWAVBIHSF-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1CC1 ZINC000587183791 507706453 /nfs/dbraw/zinc/70/64/53/507706453.db2.gz QJSGUWYMZDAXSU-UHFFFAOYSA-N 2 1 358.530 3.321 20 0 FGADMP CCCC[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)C(=O)Nc1cc(C)on1 ZINC000479498857 514607123 /nfs/dbraw/zinc/60/71/23/514607123.db2.gz GKEGXLADICWXKL-MRXNPFEDSA-N 2 1 350.507 3.192 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCNc2ccc(C(F)(F)F)cn2)s1 ZINC000512131516 516165231 /nfs/dbraw/zinc/16/52/31/516165231.db2.gz PIYCKQLFKZIGHN-UHFFFAOYSA-N 2 1 373.448 3.210 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC[C@H]1[NH3+] ZINC000669121471 568069604 /nfs/dbraw/zinc/06/96/04/568069604.db2.gz BHDXGRVJJJGCQH-DUXKGJEZSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H]1CCCCN1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000655532239 568394239 /nfs/dbraw/zinc/39/42/39/568394239.db2.gz UBTZRQMLNGRRIZ-GOSISDBHSA-N 2 1 364.578 3.109 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000821623830 599448001 /nfs/dbraw/zinc/44/80/01/599448001.db2.gz UEAISOBRRVONBK-AEFFLSMTSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@H]1c1cccs1 ZINC000821623830 599448003 /nfs/dbraw/zinc/44/80/03/599448003.db2.gz UEAISOBRRVONBK-AEFFLSMTSA-N 2 1 368.510 3.101 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825390479 609141998 /nfs/dbraw/zinc/14/19/98/609141998.db2.gz GQBIINNROFHCJC-CQSZACIVSA-N 2 1 368.460 3.308 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824530623 609350210 /nfs/dbraw/zinc/35/02/10/609350210.db2.gz MINBKFWLNUCBDE-DAYGRLMNSA-N 2 1 354.502 3.170 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000124167657 700716020 /nfs/dbraw/zinc/71/60/20/700716020.db2.gz GMKWOAKLMAUBSQ-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000124167657 700716023 /nfs/dbraw/zinc/71/60/23/700716023.db2.gz GMKWOAKLMAUBSQ-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000132363230 700826639 /nfs/dbraw/zinc/82/66/39/700826639.db2.gz ZPSUMHHIQRDOCV-SFHVURJKSA-N 2 1 367.331 3.290 20 0 FGADMP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCC1 ZINC000168558465 705349553 /nfs/dbraw/zinc/34/95/53/705349553.db2.gz ZMHYOFIIIDEKSL-UHFFFAOYSA-N 2 1 370.324 3.346 20 0 FGADMP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000177488704 705624665 /nfs/dbraw/zinc/62/46/65/705624665.db2.gz UQMRLHPXKZXKFF-YJBOKZPZSA-N 2 1 351.535 3.381 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180626817 705750442 /nfs/dbraw/zinc/75/04/42/705750442.db2.gz JKXWGEJQEQKZIA-IAGOWNOFSA-N 2 1 350.507 3.255 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195187753 713548578 /nfs/dbraw/zinc/54/85/78/713548578.db2.gz RLMOKTZLICMNLW-HNAYVOBHSA-N 2 1 350.507 3.064 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248391318 713648616 /nfs/dbraw/zinc/64/86/16/713648616.db2.gz UUICNJRUJVBGEF-MSOLQXFVSA-N 2 1 353.551 3.486 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261793138 713714312 /nfs/dbraw/zinc/71/43/12/713714312.db2.gz ZCGTWKBIJUWDSA-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261793138 713714316 /nfs/dbraw/zinc/71/43/16/713714316.db2.gz ZCGTWKBIJUWDSA-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000317665659 713807898 /nfs/dbraw/zinc/80/78/98/713807898.db2.gz DXAPSZKOCHCFSW-XAWIXRBMSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000317665659 713807905 /nfs/dbraw/zinc/80/79/05/713807905.db2.gz DXAPSZKOCHCFSW-XAWIXRBMSA-N 2 1 365.315 3.148 20 0 FGADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000641804286 717930969 /nfs/dbraw/zinc/93/09/69/717930969.db2.gz HJSPNSKCMWJODT-GHMZBOCLSA-N 2 1 350.677 3.301 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000641943328 717940000 /nfs/dbraw/zinc/94/00/00/717940000.db2.gz AUUNGECNJNRABZ-QGZVFWFLSA-N 2 1 352.567 3.203 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1(F)F ZINC000414299992 714003839 /nfs/dbraw/zinc/00/38/39/714003839.db2.gz LDAAJZRYPXZFIN-BRIYLRKRSA-N 2 1 350.453 3.035 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCC1(F)F ZINC000414299994 714003976 /nfs/dbraw/zinc/00/39/76/714003976.db2.gz LDAAJZRYPXZFIN-MTHXSQLBSA-N 2 1 350.453 3.035 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](OC)C34CCC4)CC2)cs1 ZINC000453110067 714057060 /nfs/dbraw/zinc/05/70/60/714057060.db2.gz NQSXVTJXQBFTBA-ZWKOTPCHSA-N 2 1 363.571 3.465 20 0 FGADMP C(C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000521868708 714153378 /nfs/dbraw/zinc/15/33/78/714153378.db2.gz KYUSMDOLOIZUML-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000521868708 714153381 /nfs/dbraw/zinc/15/33/81/714153381.db2.gz KYUSMDOLOIZUML-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000521868708 714153383 /nfs/dbraw/zinc/15/33/83/714153383.db2.gz KYUSMDOLOIZUML-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000522132825 714171776 /nfs/dbraw/zinc/17/17/76/714171776.db2.gz SRXWCFKYXMGQQZ-GJZGRUSLSA-N 2 1 367.563 3.227 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000615672312 714543898 /nfs/dbraw/zinc/54/38/98/714543898.db2.gz UBNMRRUGZTYSHR-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(F)cc2F)c2cccs2)CC1 ZINC000620437057 714916200 /nfs/dbraw/zinc/91/62/00/714916200.db2.gz ZUWKXTRXDVDQNE-KRWDZBQOSA-N 2 1 351.466 3.105 20 0 FGADMP CCOc1ccccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000620437357 714916232 /nfs/dbraw/zinc/91/62/32/714916232.db2.gz KUQSPYVUSCRJHB-SFHVURJKSA-N 2 1 359.539 3.225 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccsc1 ZINC000623409331 715329540 /nfs/dbraw/zinc/32/95/40/715329540.db2.gz ZDKAMYZSCABXFZ-QZTJIDSGSA-N 2 1 364.559 3.057 20 0 FGADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc(C(F)(F)F)c1 ZINC000623412437 715330229 /nfs/dbraw/zinc/33/02/29/715330229.db2.gz KXBICXMPJJAKAZ-MRXNPFEDSA-N 2 1 360.420 3.041 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478621 715344255 /nfs/dbraw/zinc/34/42/55/715344255.db2.gz RZXUCKONRWXZEY-CHWSQXEVSA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478621 715344259 /nfs/dbraw/zinc/34/42/59/715344259.db2.gz RZXUCKONRWXZEY-CHWSQXEVSA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507695 715350660 /nfs/dbraw/zinc/35/06/60/715350660.db2.gz WNQIANSFEADJIK-DOTOQJQBSA-N 2 1 369.347 3.063 20 0 FGADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000623978476 715445463 /nfs/dbraw/zinc/44/54/63/715445463.db2.gz VDFGBZQELUZVMT-HNNXBMFYSA-N 2 1 368.363 3.434 20 0 FGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)CC(F)F ZINC000624329109 715512475 /nfs/dbraw/zinc/51/24/75/715512475.db2.gz MGJZRLZMDRNZES-QRVBRYPASA-N 2 1 351.485 3.216 20 0 FGADMP C[C@@H]1C[NH+](CCOCC[N@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)C[C@@H](C)C1(F)F ZINC000625654778 715767366 /nfs/dbraw/zinc/76/73/66/715767366.db2.gz QUKODWIPQUXHOZ-FPCVCCKLSA-N 2 1 368.459 3.449 20 0 FGADMP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826460 716686572 /nfs/dbraw/zinc/68/65/72/716686572.db2.gz NYOMSHCKWNPACD-QWHCGFSZSA-N 2 1 356.283 3.195 20 0 FGADMP Fc1cc(Br)cnc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826460 716686587 /nfs/dbraw/zinc/68/65/87/716686587.db2.gz NYOMSHCKWNPACD-QWHCGFSZSA-N 2 1 356.283 3.195 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914921 717209724 /nfs/dbraw/zinc/20/97/24/717209724.db2.gz QRXAYPQEOLHRKW-QAPCUYQASA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914921 717209725 /nfs/dbraw/zinc/20/97/25/717209725.db2.gz QRXAYPQEOLHRKW-QAPCUYQASA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914921 717209726 /nfs/dbraw/zinc/20/97/26/717209726.db2.gz QRXAYPQEOLHRKW-QAPCUYQASA-N 2 1 351.922 3.181 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979441 717396849 /nfs/dbraw/zinc/39/68/49/717396849.db2.gz SKMMODNIACPTMM-HOTGVXAUSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979441 717396855 /nfs/dbraw/zinc/39/68/55/717396855.db2.gz SKMMODNIACPTMM-HOTGVXAUSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979441 717396858 /nfs/dbraw/zinc/39/68/58/717396858.db2.gz SKMMODNIACPTMM-HOTGVXAUSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979441 717396860 /nfs/dbraw/zinc/39/68/60/717396860.db2.gz SKMMODNIACPTMM-HOTGVXAUSA-N 2 1 353.457 3.330 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360540 717439371 /nfs/dbraw/zinc/43/93/71/717439371.db2.gz UEZLIXQVFSQEDU-OALUTQOASA-N 2 1 351.579 3.120 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000640017389 717646999 /nfs/dbraw/zinc/64/69/99/717646999.db2.gz GDEMPFJXXKWAFJ-UHFFFAOYSA-N 2 1 351.922 3.153 20 0 FGADMP O=C(CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000644531805 718119809 /nfs/dbraw/zinc/11/98/09/718119809.db2.gz OXIOPQJIOYBYEM-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965183 718390357 /nfs/dbraw/zinc/39/03/57/718390357.db2.gz LAAWSCFIGSRLHV-KRWDZBQOSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965183 718390358 /nfs/dbraw/zinc/39/03/58/718390358.db2.gz LAAWSCFIGSRLHV-KRWDZBQOSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965183 718390359 /nfs/dbraw/zinc/39/03/59/718390359.db2.gz LAAWSCFIGSRLHV-KRWDZBQOSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965183 718390360 /nfs/dbraw/zinc/39/03/60/718390360.db2.gz LAAWSCFIGSRLHV-KRWDZBQOSA-N 2 1 369.347 3.114 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977032 718391325 /nfs/dbraw/zinc/39/13/25/718391325.db2.gz XEXQRMYSRFTSCK-QLFBSQMISA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586022 718438242 /nfs/dbraw/zinc/43/82/42/718438242.db2.gz SLWPHRLVAGZVCE-MGPUTAFESA-N 2 1 351.485 3.169 20 0 FGADMP C[N@H+]1CCCN(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC1 ZINC000650416223 718674660 /nfs/dbraw/zinc/67/46/60/718674660.db2.gz YGAAJWPDVNTUDT-UHFFFAOYSA-N 2 1 362.543 3.044 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705366 718716371 /nfs/dbraw/zinc/71/63/71/718716371.db2.gz FKGVDJNUOKZWAV-ZOBUZTSGSA-N 2 1 368.905 3.076 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650707717 718717344 /nfs/dbraw/zinc/71/73/44/718717344.db2.gz LTKMHAQGUFNNOF-BQFCYCMXSA-N 2 1 367.331 3.476 20 0 FGADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]Cc1ccccc1C[NH2+]C ZINC000650720288 718719583 /nfs/dbraw/zinc/71/95/83/718719583.db2.gz KRYIIMXVUUUHPP-UHFFFAOYSA-N 2 1 366.914 3.143 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355302 718936386 /nfs/dbraw/zinc/93/63/86/718936386.db2.gz UDWFPOXTIBJOQF-VKJFTORMSA-N 2 1 351.922 3.309 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653106213 719013097 /nfs/dbraw/zinc/01/30/97/719013097.db2.gz XLRAWLCFIPXHDR-CEXWTWQISA-N 2 1 361.917 3.124 20 0 FGADMP CC(C)(C)c1nc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000655736553 719332118 /nfs/dbraw/zinc/33/21/18/719332118.db2.gz HLBPRJBNDAJQRY-KRWDZBQOSA-N 2 1 351.560 3.216 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2c(Cl)ccnc2Cl)c2c1CC[NH2+]C2 ZINC001164681159 719619346 /nfs/dbraw/zinc/61/93/46/719619346.db2.gz BYRBPSNYZHHMLO-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2c(Cl)ccnc2Cl)c2c1CC[NH2+]C2 ZINC001164681159 719619360 /nfs/dbraw/zinc/61/93/60/719619360.db2.gz BYRBPSNYZHHMLO-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nccn3C(C)C)CC2)cs1 ZINC000657357409 719632346 /nfs/dbraw/zinc/63/23/46/719632346.db2.gz NRIMOGGAZMYCHH-UHFFFAOYSA-N 2 1 361.559 3.485 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@]2(CC[N@@H+](CCC[NH+]3CCCCC3)C2)C1 ZINC000781918672 724612215 /nfs/dbraw/zinc/61/22/15/724612215.db2.gz YRFUBODCSYNBMS-HXUWFJFHSA-N 2 1 351.535 3.195 20 0 FGADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000657850235 719720742 /nfs/dbraw/zinc/72/07/42/719720742.db2.gz RQZDQJBKAQYYSB-QGZVFWFLSA-N 2 1 369.347 3.471 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264566 719885878 /nfs/dbraw/zinc/88/58/78/719885878.db2.gz QBADNDCOYGFIEB-MKBNYLNASA-N 2 1 358.313 3.195 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264566 719885883 /nfs/dbraw/zinc/88/58/83/719885883.db2.gz QBADNDCOYGFIEB-MKBNYLNASA-N 2 1 358.313 3.195 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1F ZINC000660119239 719992683 /nfs/dbraw/zinc/99/26/83/719992683.db2.gz ZRISXWSNAWEVBB-OIISXLGYSA-N 2 1 356.482 3.240 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1F ZINC000660119239 719992684 /nfs/dbraw/zinc/99/26/84/719992684.db2.gz ZRISXWSNAWEVBB-OIISXLGYSA-N 2 1 356.482 3.240 20 0 FGADMP FC1(F)C[C@H]1OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660149006 719997468 /nfs/dbraw/zinc/99/74/68/719997468.db2.gz GAQWUSFUZDASEF-GOSISDBHSA-N 2 1 350.453 3.399 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655645 720091802 /nfs/dbraw/zinc/09/18/02/720091802.db2.gz OMWJFXJMTJTDLJ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655645 720091812 /nfs/dbraw/zinc/09/18/12/720091812.db2.gz OMWJFXJMTJTDLJ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655645 720091818 /nfs/dbraw/zinc/09/18/18/720091818.db2.gz OMWJFXJMTJTDLJ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655645 720091824 /nfs/dbraw/zinc/09/18/24/720091824.db2.gz OMWJFXJMTJTDLJ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@@H](O)[C@H]1CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767956 720316421 /nfs/dbraw/zinc/31/64/21/720316421.db2.gz SFYKZHGWYVILDU-HRYATBACSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H](O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767956 720316429 /nfs/dbraw/zinc/31/64/29/720316429.db2.gz SFYKZHGWYVILDU-HRYATBACSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H](O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661767956 720316433 /nfs/dbraw/zinc/31/64/33/720316433.db2.gz SFYKZHGWYVILDU-HRYATBACSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290849 720410419 /nfs/dbraw/zinc/41/04/19/720410419.db2.gz LXCYCMASSIZRBZ-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296470 720411414 /nfs/dbraw/zinc/41/14/14/720411414.db2.gz KYBZGSMCXYKUOV-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296473 720411482 /nfs/dbraw/zinc/41/14/82/720411482.db2.gz KYBZGSMCXYKUOV-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296750 720411643 /nfs/dbraw/zinc/41/16/43/720411643.db2.gz MZAGOSIEMHYJTM-RDJZCZTQSA-N 2 1 361.555 3.447 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298688 720412108 /nfs/dbraw/zinc/41/21/08/720412108.db2.gz WUZRWQBVFGMARQ-QAPCUYQASA-N 2 1 363.933 3.056 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420350 720426451 /nfs/dbraw/zinc/42/64/51/720426451.db2.gz FPFKVPQDFFJVJO-GUYCJALGSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420350 720426453 /nfs/dbraw/zinc/42/64/53/720426453.db2.gz FPFKVPQDFFJVJO-GUYCJALGSA-N 2 1 372.340 3.491 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512451 720436914 /nfs/dbraw/zinc/43/69/14/720436914.db2.gz JFGKMPAPKPAWIR-YESZJQIVSA-N 2 1 355.885 3.117 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512451 720436917 /nfs/dbraw/zinc/43/69/17/720436917.db2.gz JFGKMPAPKPAWIR-YESZJQIVSA-N 2 1 355.885 3.117 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccc(Cl)c1 ZINC000662591571 720443931 /nfs/dbraw/zinc/44/39/31/720443931.db2.gz UDUZBCLKXILNOJ-IEBWSBKVSA-N 2 1 363.933 3.181 20 0 FGADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344138 720503622 /nfs/dbraw/zinc/50/36/22/720503622.db2.gz OUXSTXTXCRUQOD-OAHLLOKOSA-N 2 1 352.320 3.364 20 0 FGADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344138 720503625 /nfs/dbraw/zinc/50/36/25/720503625.db2.gz OUXSTXTXCRUQOD-OAHLLOKOSA-N 2 1 352.320 3.364 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001164836276 720541486 /nfs/dbraw/zinc/54/14/86/720541486.db2.gz JJRSIFZKFFEGCN-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164836276 720541496 /nfs/dbraw/zinc/54/14/96/720541496.db2.gz JJRSIFZKFFEGCN-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1cc(C(F)(F)F)cc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)[nH+]1 ZINC000663731499 720544294 /nfs/dbraw/zinc/54/42/94/720544294.db2.gz MDJUIRCNGMJDTB-INIZCTEOSA-N 2 1 357.420 3.490 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(F)cc1Cl ZINC000664172309 720604217 /nfs/dbraw/zinc/60/42/17/720604217.db2.gz GECQMMVTNZNHDB-KBPBESRZSA-N 2 1 372.916 3.111 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665639199 720794358 /nfs/dbraw/zinc/79/43/58/720794358.db2.gz PLZOYBUHGDNDJB-RDJZCZTQSA-N 2 1 366.575 3.039 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665639199 720794361 /nfs/dbraw/zinc/79/43/61/720794361.db2.gz PLZOYBUHGDNDJB-RDJZCZTQSA-N 2 1 366.575 3.039 20 0 FGADMP COCc1cnc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)s1 ZINC000671194723 721574158 /nfs/dbraw/zinc/57/41/58/721574158.db2.gz VXARJSICQRGFSA-UHFFFAOYSA-N 2 1 361.511 3.052 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454648 721634102 /nfs/dbraw/zinc/63/41/02/721634102.db2.gz QYCIDCKSTLQFSB-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454648 721634103 /nfs/dbraw/zinc/63/41/03/721634103.db2.gz QYCIDCKSTLQFSB-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454648 721634105 /nfs/dbraw/zinc/63/41/05/721634105.db2.gz QYCIDCKSTLQFSB-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCOC(C)(C)C)CC2)CC1 ZINC000674908847 721720421 /nfs/dbraw/zinc/72/04/21/721720421.db2.gz DIIWGLBLKNBXEZ-UHFFFAOYSA-N 2 1 353.595 3.320 20 0 FGADMP C[N@H+](CCCOC(C)(C)C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674908847 721720424 /nfs/dbraw/zinc/72/04/24/721720424.db2.gz DIIWGLBLKNBXEZ-UHFFFAOYSA-N 3 1 353.595 3.320 20 0 FGADMP C[N@@H+](CCCOC(C)(C)C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000674908847 721720428 /nfs/dbraw/zinc/72/04/28/721720428.db2.gz DIIWGLBLKNBXEZ-UHFFFAOYSA-N 3 1 353.595 3.320 20 0 FGADMP Cc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C[NH3+])c1 ZINC001164994910 722205915 /nfs/dbraw/zinc/20/59/15/722205915.db2.gz JSFSWGOEWFYSJL-NRFANRHFSA-N 2 1 354.473 3.233 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cs1 ZINC000684380507 722339011 /nfs/dbraw/zinc/33/90/11/722339011.db2.gz PDDTYYPKJHWCIH-FUHWJXTLSA-N 2 1 351.560 3.465 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789122 722409898 /nfs/dbraw/zinc/40/98/98/722409898.db2.gz SZKMREOUBPMTTN-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727465739 722444794 /nfs/dbraw/zinc/44/47/94/722444794.db2.gz JEQCXSIYFAQUCY-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCSC(C)(C)C)CC1 ZINC000753953070 722919875 /nfs/dbraw/zinc/91/98/75/722919875.db2.gz ULLHADIBHAPQBM-UHFFFAOYSA-N 2 1 350.532 3.084 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927015 723293071 /nfs/dbraw/zinc/29/30/71/723293071.db2.gz ZGYMVBPUGACQMY-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927015 723293075 /nfs/dbraw/zinc/29/30/75/723293075.db2.gz ZGYMVBPUGACQMY-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000792970965 723388439 /nfs/dbraw/zinc/38/84/39/723388439.db2.gz WOKKWYFLNMWBSR-ROUUACIJSA-N 2 1 356.432 3.481 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000792970965 723388445 /nfs/dbraw/zinc/38/84/45/723388445.db2.gz WOKKWYFLNMWBSR-ROUUACIJSA-N 2 1 356.432 3.481 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000764467399 723416054 /nfs/dbraw/zinc/41/60/54/723416054.db2.gz VVRROKVULSBNJF-ZBFHGGJFSA-N 2 1 364.946 3.436 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)nn3C)CC2)cs1 ZINC000793541441 723447203 /nfs/dbraw/zinc/44/72/03/723447203.db2.gz NFIFDRARBAXQGV-OAHLLOKOSA-N 2 1 361.559 3.310 20 0 FGADMP C[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000766380387 723571133 /nfs/dbraw/zinc/57/11/33/723571133.db2.gz FTTFMMFJVSILKO-HNNXBMFYSA-N 2 1 351.560 3.046 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000796270524 723629408 /nfs/dbraw/zinc/62/94/08/723629408.db2.gz IDDCTFGELDSXTO-UHFFFAOYSA-N 2 1 350.507 3.255 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000796358573 723634425 /nfs/dbraw/zinc/63/44/25/723634425.db2.gz OHDQRPAVPGBBCT-KGLIPLIRSA-N 2 1 368.547 3.130 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@@H]1CN3CCC[C@H]3CO1)CCCO2 ZINC000768511829 723659805 /nfs/dbraw/zinc/65/98/05/723659805.db2.gz KEVGBMUUADDRMA-HDMKZQKVSA-N 2 1 350.890 3.315 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000769498506 723687444 /nfs/dbraw/zinc/68/74/44/723687444.db2.gz JHQYDPFNFMWRJC-ROUUACIJSA-N 2 1 351.535 3.194 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000769498506 723687446 /nfs/dbraw/zinc/68/74/46/723687446.db2.gz JHQYDPFNFMWRJC-ROUUACIJSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772326580 723756643 /nfs/dbraw/zinc/75/66/43/723756643.db2.gz XGQXBYGRIFGFGI-HZPDHXFCSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C ZINC000772326580 723756645 /nfs/dbraw/zinc/75/66/45/723756645.db2.gz XGQXBYGRIFGFGI-HZPDHXFCSA-N 2 1 350.507 3.301 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)[C@@H](C)C1 ZINC000773133639 723777299 /nfs/dbraw/zinc/77/72/99/723777299.db2.gz HLLYHHNYLKGNAY-IECFSIQFSA-N 2 1 358.617 3.093 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000773720176 723816511 /nfs/dbraw/zinc/81/65/11/723816511.db2.gz QJTZRIBZCKCBLM-GOSISDBHSA-N 2 1 356.432 3.342 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311939 724004850 /nfs/dbraw/zinc/00/48/50/724004850.db2.gz JWWTWQHYPHKPLO-HXUWFJFHSA-N 2 1 351.510 3.334 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801923818 724346334 /nfs/dbraw/zinc/34/63/34/724346334.db2.gz FVOYVVFEUMCIQN-KRWDZBQOSA-N 2 1 353.551 3.440 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801923818 724346338 /nfs/dbraw/zinc/34/63/38/724346338.db2.gz FVOYVVFEUMCIQN-KRWDZBQOSA-N 2 1 353.551 3.440 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000787034956 725014456 /nfs/dbraw/zinc/01/44/56/725014456.db2.gz MIBDGBAFHFGYHS-CCKFTAQKSA-N 2 1 372.912 3.239 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794396 725096141 /nfs/dbraw/zinc/09/61/41/725096141.db2.gz UEWSDMPFEOMXLH-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794396 725096145 /nfs/dbraw/zinc/09/61/45/725096145.db2.gz UEWSDMPFEOMXLH-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794396 725096148 /nfs/dbraw/zinc/09/61/48/725096148.db2.gz UEWSDMPFEOMXLH-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558215 725247435 /nfs/dbraw/zinc/24/74/35/725247435.db2.gz ZTVVOUQICNQZDU-IRXDYDNUSA-N 2 1 350.576 3.291 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558215 725247436 /nfs/dbraw/zinc/24/74/36/725247436.db2.gz ZTVVOUQICNQZDU-IRXDYDNUSA-N 2 1 350.576 3.291 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[NH+]1C ZINC000813337037 726862730 /nfs/dbraw/zinc/86/27/30/726862730.db2.gz VLUGLWBIPSEEPJ-XMTFNYHQSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[NH+]1C ZINC000813337037 726862733 /nfs/dbraw/zinc/86/27/33/726862733.db2.gz VLUGLWBIPSEEPJ-XMTFNYHQSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@@H+]1C ZINC000813337037 726862735 /nfs/dbraw/zinc/86/27/35/726862735.db2.gz VLUGLWBIPSEEPJ-XMTFNYHQSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@H+]1C ZINC000813337037 726862739 /nfs/dbraw/zinc/86/27/39/726862739.db2.gz VLUGLWBIPSEEPJ-XMTFNYHQSA-N 2 1 353.551 3.437 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1Cl ZINC000815135633 727043254 /nfs/dbraw/zinc/04/32/54/727043254.db2.gz YRELUPNBRAJZBJ-QXAKKESOSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1Cl ZINC000815135633 727043257 /nfs/dbraw/zinc/04/32/57/727043257.db2.gz YRELUPNBRAJZBJ-QXAKKESOSA-N 2 1 358.917 3.464 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290481 727236806 /nfs/dbraw/zinc/23/68/06/727236806.db2.gz DBAKYKORICLISL-XMTFNYHQSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290481 727236808 /nfs/dbraw/zinc/23/68/08/727236808.db2.gz DBAKYKORICLISL-XMTFNYHQSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290481 727236811 /nfs/dbraw/zinc/23/68/11/727236811.db2.gz DBAKYKORICLISL-XMTFNYHQSA-N 2 1 353.551 3.342 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981487 727334061 /nfs/dbraw/zinc/33/40/61/727334061.db2.gz VGXYKJGWYRNLLB-CXAGYDPISA-N 2 1 373.310 3.117 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819181790 727355593 /nfs/dbraw/zinc/35/55/93/727355593.db2.gz BAWMKILPXJPTKS-CRAIPNDOSA-N 2 1 369.347 3.440 20 0 FGADMP CO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000871785028 735545751 /nfs/dbraw/zinc/54/57/51/735545751.db2.gz NZPFCANSDDFOMM-YQAQFAQXSA-N 2 1 351.878 3.399 20 0 FGADMP CO[C@@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000871785028 735545755 /nfs/dbraw/zinc/54/57/55/735545755.db2.gz NZPFCANSDDFOMM-YQAQFAQXSA-N 2 1 351.878 3.399 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)c1 ZINC000820112302 728967533 /nfs/dbraw/zinc/96/75/33/728967533.db2.gz QSYKUVZUSHSOEQ-UHFFFAOYSA-N 2 1 356.499 3.058 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823394990 729275497 /nfs/dbraw/zinc/27/54/97/729275497.db2.gz ICCVIHDCTCGUIF-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823394990 729275498 /nfs/dbraw/zinc/27/54/98/729275498.db2.gz ICCVIHDCTCGUIF-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnc(Cl)c3F)CC2)oc1C ZINC000823788568 729305228 /nfs/dbraw/zinc/30/52/28/729305228.db2.gz AWULVIWKNRAUSF-UHFFFAOYSA-N 2 1 366.868 3.481 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000823818571 729306644 /nfs/dbraw/zinc/30/66/44/729306644.db2.gz IDKUGTHSHPXXQS-ROUUACIJSA-N 2 1 355.567 3.493 20 0 FGADMP [NH3+]Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000831793258 729668174 /nfs/dbraw/zinc/66/81/74/729668174.db2.gz NXSZEWCGUUGNEN-UHFFFAOYSA-N 2 1 357.885 3.147 20 0 FGADMP [NH3+]Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)c1 ZINC000831793258 729668177 /nfs/dbraw/zinc/66/81/77/729668177.db2.gz NXSZEWCGUUGNEN-UHFFFAOYSA-N 2 1 357.885 3.147 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909777 729845508 /nfs/dbraw/zinc/84/55/08/729845508.db2.gz UFOCRGYOCFXXDZ-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)sc2Cl)C1 ZINC000842040121 730289498 /nfs/dbraw/zinc/28/94/98/730289498.db2.gz UHSWSUUIABIZEN-JTQLQIEISA-N 2 1 352.287 3.163 20 0 FGADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Cl)sc2Cl)C1 ZINC000842040121 730289499 /nfs/dbraw/zinc/28/94/99/730289499.db2.gz UHSWSUUIABIZEN-JTQLQIEISA-N 2 1 352.287 3.163 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]([NH3+])CC(F)F)n1 ZINC000843200990 730593972 /nfs/dbraw/zinc/59/39/72/730593972.db2.gz VIIWSMFDNQXDKG-CYBMUJFWSA-N 2 1 354.401 3.112 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]([NH3+])CC(F)F)n2)cc1 ZINC000843200641 730593982 /nfs/dbraw/zinc/59/39/82/730593982.db2.gz OTADBFVZLMFNGG-AWEZNQCLSA-N 2 1 354.401 3.112 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)cc1Cl ZINC000843364210 730610900 /nfs/dbraw/zinc/61/09/00/730610900.db2.gz RQZKNGLRRXWLBL-CYBMUJFWSA-N 2 1 370.324 3.246 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(C)s3)CC2)CC1 ZINC000847379445 731050816 /nfs/dbraw/zinc/05/08/16/731050816.db2.gz GASHBTJVDGWNIQ-INIZCTEOSA-N 2 1 363.571 3.430 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000848032510 731123385 /nfs/dbraw/zinc/12/33/85/731123385.db2.gz ITNSYWARYNDGKA-SFHVURJKSA-N 2 1 363.933 3.277 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848525377 731175297 /nfs/dbraw/zinc/17/52/97/731175297.db2.gz PDQFUZVUVOCDQB-OIISXLGYSA-N 2 1 350.507 3.253 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105840 731230070 /nfs/dbraw/zinc/23/00/70/731230070.db2.gz FFAGTPHNAQEIOT-HEHGZKQESA-N 2 1 355.313 3.448 20 0 FGADMP O=[S@@](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495545 731363983 /nfs/dbraw/zinc/36/39/83/731363983.db2.gz FRKOYNYKLPLNIP-ZVUFPHILSA-N 2 1 374.472 3.083 20 0 FGADMP O=[S@@](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495545 731363987 /nfs/dbraw/zinc/36/39/87/731363987.db2.gz FRKOYNYKLPLNIP-ZVUFPHILSA-N 2 1 374.472 3.083 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554453 731372319 /nfs/dbraw/zinc/37/23/19/731372319.db2.gz DARCQHDNFUWDIB-YJBOKZPZSA-N 2 1 373.324 3.260 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000853487582 731711921 /nfs/dbraw/zinc/71/19/21/731711921.db2.gz RJCCKXYLYKKLRW-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228228 732194441 /nfs/dbraw/zinc/19/44/41/732194441.db2.gz FHCQHMACKOQHCE-CVEARBPZSA-N 2 1 351.535 3.381 20 0 FGADMP CO[C@@H]1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000859324006 732310464 /nfs/dbraw/zinc/31/04/64/732310464.db2.gz GMAYZJNDKMIFNG-JVSBHGNQSA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000859324006 732310470 /nfs/dbraw/zinc/31/04/70/732310470.db2.gz GMAYZJNDKMIFNG-JVSBHGNQSA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000859324006 732310475 /nfs/dbraw/zinc/31/04/75/732310475.db2.gz GMAYZJNDKMIFNG-JVSBHGNQSA-N 2 1 370.654 3.408 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482243 732840132 /nfs/dbraw/zinc/84/01/32/732840132.db2.gz FVKKEYPLSYVKHJ-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cnc21 ZINC000865438287 733200722 /nfs/dbraw/zinc/20/07/22/733200722.db2.gz RPNPGDFVPAKBGO-OAHLLOKOSA-N 2 1 355.511 3.032 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cnc21 ZINC000865438287 733200726 /nfs/dbraw/zinc/20/07/26/733200726.db2.gz RPNPGDFVPAKBGO-OAHLLOKOSA-N 2 1 355.511 3.032 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(Cl)c(F)c3)CC2)oc1C ZINC000865459854 733205247 /nfs/dbraw/zinc/20/52/47/733205247.db2.gz CRQVSXUEKYZYFX-UHFFFAOYSA-N 2 1 366.868 3.481 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705215 733386712 /nfs/dbraw/zinc/38/67/12/733386712.db2.gz VRPDHKCIQIUESL-GQIGUUNPSA-N 2 1 363.571 3.497 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705215 733386716 /nfs/dbraw/zinc/38/67/16/733386716.db2.gz VRPDHKCIQIUESL-GQIGUUNPSA-N 2 1 363.571 3.497 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147484 735595141 /nfs/dbraw/zinc/59/51/41/735595141.db2.gz BOJABLKHOPVYKX-YPMHNXCESA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]1C(F)(F)F ZINC000872147484 735595143 /nfs/dbraw/zinc/59/51/43/735595143.db2.gz BOJABLKHOPVYKX-YPMHNXCESA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147483 735595152 /nfs/dbraw/zinc/59/51/52/735595152.db2.gz BOJABLKHOPVYKX-WCQYABFASA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147483 735595156 /nfs/dbraw/zinc/59/51/56/735595156.db2.gz BOJABLKHOPVYKX-WCQYABFASA-N 2 1 374.794 3.002 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000876111416 736060345 /nfs/dbraw/zinc/06/03/45/736060345.db2.gz SENRCFDQBKASNW-UHFFFAOYSA-N 2 1 352.567 3.011 20 0 FGADMP COCC[N@H+](Cc1ccc(SC)c(OC)c1)CC1CC[NH+](C)CC1 ZINC000877665021 736701810 /nfs/dbraw/zinc/70/18/10/736701810.db2.gz CTDWFFWPXGLZLZ-UHFFFAOYSA-N 2 1 352.544 3.207 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](CCCc3c(F)cccc3Cl)CC2)CC1 ZINC000877746634 736713127 /nfs/dbraw/zinc/71/31/27/736713127.db2.gz URTSQVRDAYGLRA-UHFFFAOYSA-N 2 1 353.913 3.124 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247783 736972319 /nfs/dbraw/zinc/97/23/19/736972319.db2.gz GCWNNIHPMNIXAO-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)nc4ccccc34)CC2)CC1 ZINC000879596690 737012828 /nfs/dbraw/zinc/01/28/28/737012828.db2.gz QISMNWZAFISHBL-UHFFFAOYSA-N 2 1 358.917 3.100 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321976 737155162 /nfs/dbraw/zinc/15/51/62/737155162.db2.gz GDSSSDSVWHSMDL-CVEARBPZSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321976 737155168 /nfs/dbraw/zinc/15/51/68/737155168.db2.gz GDSSSDSVWHSMDL-CVEARBPZSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)nc1C ZINC000880321976 737155181 /nfs/dbraw/zinc/15/51/81/737155181.db2.gz GDSSSDSVWHSMDL-CVEARBPZSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)nc1C ZINC000880321976 737155185 /nfs/dbraw/zinc/15/51/85/737155185.db2.gz GDSSSDSVWHSMDL-CVEARBPZSA-N 2 1 365.543 3.292 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000880473613 737178326 /nfs/dbraw/zinc/17/83/26/737178326.db2.gz KHAQWNLOLNROEA-INIZCTEOSA-N 2 1 356.432 3.169 20 0 FGADMP [NH3+]CC1(O)CC[NH+](Cc2nc(-c3cccc(Cl)c3Cl)cs2)CC1 ZINC000883433435 737566031 /nfs/dbraw/zinc/56/60/31/737566031.db2.gz QBJMVMJZNISENI-UHFFFAOYSA-N 2 1 372.321 3.403 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894535086 742296486 /nfs/dbraw/zinc/29/64/86/742296486.db2.gz ZSDMNWKQFWDJIC-GBJTYRQASA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894535086 742296490 /nfs/dbraw/zinc/29/64/90/742296490.db2.gz ZSDMNWKQFWDJIC-GBJTYRQASA-N 2 1 352.441 3.215 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000891459571 739904702 /nfs/dbraw/zinc/90/47/02/739904702.db2.gz BLQFSSRCUPRLKY-KRWDZBQOSA-N 2 1 366.575 3.121 20 0 FGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCc2sccc2C1 ZINC000892854625 740050909 /nfs/dbraw/zinc/05/09/09/740050909.db2.gz VGESYOBOBVNFMS-FBVQUNGASA-N 2 1 361.555 3.016 20 0 FGADMP CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N1CCc2sccc2C1 ZINC000892854625 740050914 /nfs/dbraw/zinc/05/09/14/740050914.db2.gz VGESYOBOBVNFMS-FBVQUNGASA-N 2 1 361.555 3.016 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000895479954 742417085 /nfs/dbraw/zinc/41/70/85/742417085.db2.gz YKXNRHPCHQBJSU-KURKYZTESA-N 2 1 351.535 3.001 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000897469163 742681435 /nfs/dbraw/zinc/68/14/35/742681435.db2.gz FEAHRAQVIWCOGM-RDTXWAMCSA-N 2 1 367.331 3.396 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903169701 743816131 /nfs/dbraw/zinc/81/61/31/743816131.db2.gz DCXIOQSHXLPODD-ONQFOCNCSA-N 2 1 354.416 3.486 20 0 FGADMP C[N@H+](Cc1ccc(Br)s1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718675 743879047 /nfs/dbraw/zinc/87/90/47/743879047.db2.gz QNYGESIMAYPOAQ-GFCCVEGCSA-N 2 1 359.333 3.101 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764291 743881638 /nfs/dbraw/zinc/88/16/38/743881638.db2.gz QWMIVAQHFFJACY-IYOUNJFTSA-N 2 1 356.869 3.076 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000903842173 743887578 /nfs/dbraw/zinc/88/75/78/743887578.db2.gz KVOVKXUYDLNGKD-MJEQTWJJSA-N 2 1 373.298 3.218 20 0 FGADMP Cc1nc2ccc(C[NH2+][C@@H]3C[C@@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391188 758911866 /nfs/dbraw/zinc/91/18/66/758911866.db2.gz UKDDODOEDKVHCI-JYBIWHBTSA-N 2 1 359.539 3.174 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394729 758913564 /nfs/dbraw/zinc/91/35/64/758913564.db2.gz SERXVTCKJTVSEF-VXNCWWDNSA-N 2 1 351.560 3.226 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375744 759107716 /nfs/dbraw/zinc/10/77/16/759107716.db2.gz DAFABLAMHHRLLV-NEPJUHHUSA-N 2 1 357.317 3.026 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488335 759129503 /nfs/dbraw/zinc/12/95/03/759129503.db2.gz RZYWAAGPKFLYHP-NEPJUHHUSA-N 2 1 354.376 3.487 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CCC2 ZINC000924593116 759360930 /nfs/dbraw/zinc/36/09/30/759360930.db2.gz VSWCOULDQJLYOO-QGZVFWFLSA-N 2 1 350.304 3.438 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CCCC2)CC1 ZINC000925000754 759430180 /nfs/dbraw/zinc/43/01/80/759430180.db2.gz VHHBZLJVDFUPKI-ICSRJNTNSA-N 2 1 350.547 3.205 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(F)c1 ZINC000925784261 759537920 /nfs/dbraw/zinc/53/79/20/759537920.db2.gz QKHRMZMETGQFCY-GXSJLCMTSA-N 2 1 351.210 3.484 20 0 FGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925737158 759528220 /nfs/dbraw/zinc/52/82/20/759528220.db2.gz PTIGBZXFVSAQOT-KZNAEPCWSA-N 2 1 352.906 3.374 20 0 FGADMP CC(C)([NH3+])CC[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000925743039 759528291 /nfs/dbraw/zinc/52/82/91/759528291.db2.gz ZDYKTBXKRKUFIG-SFHVURJKSA-N 2 1 364.486 3.036 20 0 FGADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000925834110 759555212 /nfs/dbraw/zinc/55/52/12/759555212.db2.gz VLKABRTXTCQZEQ-JXFKEZNVSA-N 2 1 355.507 3.367 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926205928 759676440 /nfs/dbraw/zinc/67/64/40/759676440.db2.gz DQJYWPZAZLBOSF-CABCVRRESA-N 2 1 350.507 3.024 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879515 759836976 /nfs/dbraw/zinc/83/69/76/759836976.db2.gz LJLXLLZRMRGDGK-NIMBFUQJSA-N 2 1 363.933 3.182 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780129 760456715 /nfs/dbraw/zinc/45/67/15/760456715.db2.gz KWIIAYZBRGLAOJ-MHORFTMASA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780129 760456722 /nfs/dbraw/zinc/45/67/22/760456722.db2.gz KWIIAYZBRGLAOJ-MHORFTMASA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000929780129 760456726 /nfs/dbraw/zinc/45/67/26/760456726.db2.gz KWIIAYZBRGLAOJ-MHORFTMASA-N 2 1 353.551 3.484 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848035 760469774 /nfs/dbraw/zinc/46/97/74/760469774.db2.gz OWHPNQSHPYIRBY-BDXSIMOUSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848035 760469781 /nfs/dbraw/zinc/46/97/81/760469781.db2.gz OWHPNQSHPYIRBY-BDXSIMOUSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848035 760469787 /nfs/dbraw/zinc/46/97/87/760469787.db2.gz OWHPNQSHPYIRBY-BDXSIMOUSA-N 2 1 351.535 3.096 20 0 FGADMP CC(=O)NCCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000930373054 760592067 /nfs/dbraw/zinc/59/20/67/760592067.db2.gz GUWPGMBZTUIVEB-GOSISDBHSA-N 2 1 351.560 3.117 20 0 FGADMP CC(=O)NCCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000930373054 760592073 /nfs/dbraw/zinc/59/20/73/760592073.db2.gz GUWPGMBZTUIVEB-GOSISDBHSA-N 2 1 351.560 3.117 20 0 FGADMP CC(=O)NCCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000930373054 760592079 /nfs/dbraw/zinc/59/20/79/760592079.db2.gz GUWPGMBZTUIVEB-GOSISDBHSA-N 2 1 351.560 3.117 20 0 FGADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557651 760641069 /nfs/dbraw/zinc/64/10/69/760641069.db2.gz HYBGQQTWMXZWFN-CGTJXYLNSA-N 2 1 354.416 3.196 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557651 760641112 /nfs/dbraw/zinc/64/11/12/760641112.db2.gz HYBGQQTWMXZWFN-CGTJXYLNSA-N 2 1 354.416 3.196 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557651 760641121 /nfs/dbraw/zinc/64/11/21/760641121.db2.gz HYBGQQTWMXZWFN-CGTJXYLNSA-N 2 1 354.416 3.196 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C2)C1 ZINC000930557651 760641124 /nfs/dbraw/zinc/64/11/24/760641124.db2.gz HYBGQQTWMXZWFN-CGTJXYLNSA-N 2 1 354.416 3.196 20 0 FGADMP CCCC[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033134 760760091 /nfs/dbraw/zinc/76/00/91/760760091.db2.gz FFMFZORXVYTIIE-INIZCTEOSA-N 2 1 358.592 3.223 20 0 FGADMP CCCC[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033134 760760093 /nfs/dbraw/zinc/76/00/93/760760093.db2.gz FFMFZORXVYTIIE-INIZCTEOSA-N 2 1 358.592 3.223 20 0 FGADMP CCOC(=O)C1(C(F)(F)F)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000932651624 761208524 /nfs/dbraw/zinc/20/85/24/761208524.db2.gz JFDGHDIVCUGZIR-UHFFFAOYSA-N 2 1 361.408 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000971566631 762913852 /nfs/dbraw/zinc/91/38/52/762913852.db2.gz IBRCWOOIQWPCNC-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000971566631 762913858 /nfs/dbraw/zinc/91/38/58/762913858.db2.gz IBRCWOOIQWPCNC-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC000971566631 762913860 /nfs/dbraw/zinc/91/38/60/762913860.db2.gz IBRCWOOIQWPCNC-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC000971566631 762913864 /nfs/dbraw/zinc/91/38/64/762913864.db2.gz IBRCWOOIQWPCNC-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[NH+](C/C=C\Cl)CC2)CC[N@H+]1C ZINC000998006643 765091147 /nfs/dbraw/zinc/09/11/47/765091147.db2.gz LKTUCIALAWZUAH-PITYMMCISA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[N@H+](C/C=C\Cl)CC2)CC[NH+]1C ZINC000998006643 765091154 /nfs/dbraw/zinc/09/11/54/765091154.db2.gz LKTUCIALAWZUAH-PITYMMCISA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CCC[N@@H+](C/C=C\Cl)CC2)CC[NH+]1C ZINC000998006643 765091163 /nfs/dbraw/zinc/09/11/63/765091163.db2.gz LKTUCIALAWZUAH-PITYMMCISA-N 2 1 355.954 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000999199556 765145547 /nfs/dbraw/zinc/14/55/47/765145547.db2.gz IJOIIDMJQJFLRC-CWRNSKLLSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001005407118 765468994 /nfs/dbraw/zinc/46/89/94/765468994.db2.gz MCDOICKJARPVGL-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001020172993 765867260 /nfs/dbraw/zinc/86/72/60/765867260.db2.gz MSEANGPQYIPUAF-PTNZTPPNSA-N 2 1 367.896 3.117 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccsc2)CC[N@H+]1C ZINC001021262427 765922012 /nfs/dbraw/zinc/92/20/12/765922012.db2.gz MLTUJNSZDVEKLM-HDDXRBDOSA-N 2 1 361.555 3.090 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001021262427 765922014 /nfs/dbraw/zinc/92/20/14/765922014.db2.gz MLTUJNSZDVEKLM-HDDXRBDOSA-N 2 1 361.555 3.090 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccsc2)CC[NH+]1C ZINC001021262427 765922015 /nfs/dbraw/zinc/92/20/15/765922015.db2.gz MLTUJNSZDVEKLM-HDDXRBDOSA-N 2 1 361.555 3.090 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001023379267 766036216 /nfs/dbraw/zinc/03/62/16/766036216.db2.gz JLXBIOSEXRPEAG-RBSFLKMASA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001023379267 766036225 /nfs/dbraw/zinc/03/62/25/766036225.db2.gz JLXBIOSEXRPEAG-RBSFLKMASA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001023379267 766036233 /nfs/dbraw/zinc/03/62/33/766036233.db2.gz JLXBIOSEXRPEAG-RBSFLKMASA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001026496737 766074894 /nfs/dbraw/zinc/07/48/94/766074894.db2.gz RNMUJPCUCODMTE-YOODTLSXSA-N 2 1 363.933 3.197 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2sccc2Cl)CC[N@@H+]1C ZINC001027893391 766104553 /nfs/dbraw/zinc/10/45/53/766104553.db2.gz UVWWBBHBRBZJOY-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2sccc2Cl)CC[N@H+]1C ZINC001027893391 766104558 /nfs/dbraw/zinc/10/45/58/766104558.db2.gz UVWWBBHBRBZJOY-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001027893391 766104563 /nfs/dbraw/zinc/10/45/63/766104563.db2.gz UVWWBBHBRBZJOY-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001027893391 766104566 /nfs/dbraw/zinc/10/45/66/766104566.db2.gz UVWWBBHBRBZJOY-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001033837305 766223022 /nfs/dbraw/zinc/22/30/22/766223022.db2.gz HBWYSBZRIRJPOC-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001033837305 766223026 /nfs/dbraw/zinc/22/30/26/766223026.db2.gz HBWYSBZRIRJPOC-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[N@@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001033837305 766223030 /nfs/dbraw/zinc/22/30/30/766223030.db2.gz HBWYSBZRIRJPOC-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC=C(Cl)Cl)CC2)CC[N@@H+]1C ZINC001045444180 766537727 /nfs/dbraw/zinc/53/77/27/766537727.db2.gz DUHXDKFMISMAAC-UONOGXRCSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2(C)CC[NH+](CC=C(Cl)Cl)CC2)CC[N@H+]1C ZINC001045444180 766537731 /nfs/dbraw/zinc/53/77/31/766537731.db2.gz DUHXDKFMISMAAC-UONOGXRCSA-N 2 1 362.345 3.006 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@](C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330275 766585968 /nfs/dbraw/zinc/58/59/68/766585968.db2.gz YIYSRSIXNVHJAC-WRWLIDTKSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330275 766585976 /nfs/dbraw/zinc/58/59/76/766585976.db2.gz YIYSRSIXNVHJAC-WRWLIDTKSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC001046330275 766585980 /nfs/dbraw/zinc/58/59/80/766585980.db2.gz YIYSRSIXNVHJAC-WRWLIDTKSA-N 2 1 363.933 3.069 20 0 FGADMP CCC[N@@H+](Cc1ccc(I)cc1)C1CC[NH2+]CC1 ZINC000088183151 494211171 /nfs/dbraw/zinc/21/11/71/494211171.db2.gz VKWWORPQXYYCQH-UHFFFAOYSA-N 2 1 358.267 3.255 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147681 503689559 /nfs/dbraw/zinc/68/95/59/503689559.db2.gz ORCBSOHUANVYMH-DLBZAZTESA-N 2 1 367.559 3.077 20 0 FGADMP COC(=O)c1ccccc1CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000576715939 505577296 /nfs/dbraw/zinc/57/72/96/505577296.db2.gz QTMVHCOEZXUBDH-UHFFFAOYSA-N 2 1 355.482 3.094 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573610045 505577758 /nfs/dbraw/zinc/57/77/58/505577758.db2.gz HJNRCUDGLQNGBX-SQNIBIBYSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573610045 505577760 /nfs/dbraw/zinc/57/77/60/505577760.db2.gz HJNRCUDGLQNGBX-SQNIBIBYSA-N 2 1 367.896 3.261 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000576737199 505581748 /nfs/dbraw/zinc/58/17/48/505581748.db2.gz XTHHTQXOWNDZRA-LJQANCHMSA-N 2 1 367.541 3.227 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000576737199 505581753 /nfs/dbraw/zinc/58/17/53/505581753.db2.gz XTHHTQXOWNDZRA-LJQANCHMSA-N 2 1 367.541 3.227 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000576737199 505581756 /nfs/dbraw/zinc/58/17/56/505581756.db2.gz XTHHTQXOWNDZRA-LJQANCHMSA-N 2 1 367.541 3.227 20 0 FGADMP CCn1nc(C)c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750273 505585296 /nfs/dbraw/zinc/58/52/96/505585296.db2.gz WLRADASWNNNHNL-SFTDATJTSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750273 505585300 /nfs/dbraw/zinc/58/53/00/505585300.db2.gz WLRADASWNNNHNL-SFTDATJTSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750273 505585303 /nfs/dbraw/zinc/58/53/03/505585303.db2.gz WLRADASWNNNHNL-SFTDATJTSA-N 2 1 352.526 3.474 20 0 FGADMP CCn1nc(C)c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1C ZINC000576750273 505585306 /nfs/dbraw/zinc/58/53/06/505585306.db2.gz WLRADASWNNNHNL-SFTDATJTSA-N 2 1 352.526 3.474 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994739 505593068 /nfs/dbraw/zinc/59/30/68/505593068.db2.gz STBBKJUNTIQCBV-MRXNPFEDSA-N 2 1 365.568 3.042 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994739 505593071 /nfs/dbraw/zinc/59/30/71/505593071.db2.gz STBBKJUNTIQCBV-MRXNPFEDSA-N 2 1 365.568 3.042 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994739 505593074 /nfs/dbraw/zinc/59/30/74/505593074.db2.gz STBBKJUNTIQCBV-MRXNPFEDSA-N 2 1 365.568 3.042 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994739 505593077 /nfs/dbraw/zinc/59/30/77/505593077.db2.gz STBBKJUNTIQCBV-MRXNPFEDSA-N 2 1 365.568 3.042 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC[N@H+]1C ZINC000573676193 505594120 /nfs/dbraw/zinc/59/41/20/505594120.db2.gz BHQTXIRREGBCIC-SQNIBIBYSA-N 2 1 351.494 3.228 20 0 FGADMP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000579768693 505616525 /nfs/dbraw/zinc/61/65/25/505616525.db2.gz QIANEGNXBUTBGC-PXNSSMCTSA-N 2 1 355.526 3.156 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c2ccccc21 ZINC000579822424 505627196 /nfs/dbraw/zinc/62/71/96/505627196.db2.gz MECFQGSRPIQNFW-HKBOAZHASA-N 2 1 371.912 3.448 20 0 FGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163910 505631559 /nfs/dbraw/zinc/63/15/59/505631559.db2.gz DQWLPQCXLHMNRD-ROUUACIJSA-N 2 1 358.530 3.109 20 0 FGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163910 505631560 /nfs/dbraw/zinc/63/15/60/505631560.db2.gz DQWLPQCXLHMNRD-ROUUACIJSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163910 505631562 /nfs/dbraw/zinc/63/15/62/505631562.db2.gz DQWLPQCXLHMNRD-ROUUACIJSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163910 505631563 /nfs/dbraw/zinc/63/15/63/505631563.db2.gz DQWLPQCXLHMNRD-ROUUACIJSA-N 2 1 358.530 3.109 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(F)(F)F)s1 ZINC000577026804 505646984 /nfs/dbraw/zinc/64/69/84/505646984.db2.gz YZDCJRVWZKHASB-CYBMUJFWSA-N 2 1 364.481 3.010 20 0 FGADMP COc1ccccc1-n1nccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000571126626 505658606 /nfs/dbraw/zinc/65/86/06/505658606.db2.gz KGHOTEIBPNIWAV-SFHVURJKSA-N 2 1 354.498 3.045 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000047978712 493769523 /nfs/dbraw/zinc/76/95/23/493769523.db2.gz SHGPYYQLPFFLDE-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000068442168 493821586 /nfs/dbraw/zinc/82/15/86/493821586.db2.gz ZYTJNHNAXJITLU-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1 ZINC000068564539 493841609 /nfs/dbraw/zinc/84/16/09/493841609.db2.gz XRFUEHXOALKUPJ-GOSISDBHSA-N 2 1 374.554 3.302 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000574062190 505684975 /nfs/dbraw/zinc/68/49/75/505684975.db2.gz MMDCYTXTSJXTGO-ABHNRTSZSA-N 2 1 369.509 3.058 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000574062190 505684978 /nfs/dbraw/zinc/68/49/78/505684978.db2.gz MMDCYTXTSJXTGO-ABHNRTSZSA-N 2 1 369.509 3.058 20 0 FGADMP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000076331196 493866577 /nfs/dbraw/zinc/86/65/77/493866577.db2.gz QTRVDNKAAPMQON-UHFFFAOYSA-N 2 1 361.873 3.048 20 0 FGADMP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000049975468 493887575 /nfs/dbraw/zinc/88/75/75/493887575.db2.gz BIGNPAPCOYYVEJ-QFIPXVFZSA-N 2 1 363.505 3.411 20 0 FGADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000049975468 493887580 /nfs/dbraw/zinc/88/75/80/493887580.db2.gz BIGNPAPCOYYVEJ-QFIPXVFZSA-N 2 1 363.505 3.411 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000081422058 493889894 /nfs/dbraw/zinc/88/98/94/493889894.db2.gz PAOCMNNAZHVWLT-HDICACEKSA-N 2 1 373.541 3.355 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)CC1 ZINC000081422058 493889900 /nfs/dbraw/zinc/88/99/00/493889900.db2.gz PAOCMNNAZHVWLT-HDICACEKSA-N 2 1 373.541 3.355 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050025598 493891821 /nfs/dbraw/zinc/89/18/21/493891821.db2.gz MFVCTJYRUPXTOB-OAQYLSRUSA-N 2 1 351.494 3.029 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)CC1CCCC1 ZINC000060211364 493918262 /nfs/dbraw/zinc/91/82/62/493918262.db2.gz CVBDRSKZWLDSEP-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081636269 493935866 /nfs/dbraw/zinc/93/58/66/493935866.db2.gz ODOADADAECMSIE-KRWDZBQOSA-N 2 1 361.555 3.401 20 0 FGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081636269 493935869 /nfs/dbraw/zinc/93/58/69/493935869.db2.gz ODOADADAECMSIE-KRWDZBQOSA-N 2 1 361.555 3.401 20 0 FGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636269 493935872 /nfs/dbraw/zinc/93/58/72/493935872.db2.gz ODOADADAECMSIE-KRWDZBQOSA-N 2 1 361.555 3.401 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081713495 493945488 /nfs/dbraw/zinc/94/54/88/493945488.db2.gz HSAQEKMBZOQOFQ-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081713495 493945491 /nfs/dbraw/zinc/94/54/91/493945491.db2.gz HSAQEKMBZOQOFQ-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCCC[C@@H]1C ZINC000061553182 493982377 /nfs/dbraw/zinc/98/23/77/493982377.db2.gz OVMUAIFOAIDAOL-RBUKOAKNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC[C@@H](C)C2)c1 ZINC000061863536 493997674 /nfs/dbraw/zinc/99/76/74/493997674.db2.gz ZIORLKPSXKDHNT-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000061863536 493997676 /nfs/dbraw/zinc/99/76/76/493997676.db2.gz ZIORLKPSXKDHNT-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000061863536 493997681 /nfs/dbraw/zinc/99/76/81/493997681.db2.gz ZIORLKPSXKDHNT-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([NH2+]C4CCCC4)CC3)CC2)[nH+]c1 ZINC000077008881 494008710 /nfs/dbraw/zinc/00/87/10/494008710.db2.gz OQNQBNRIGYXRAU-UHFFFAOYSA-N 2 1 370.541 3.130 20 0 FGADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000568449923 505696454 /nfs/dbraw/zinc/69/64/54/505696454.db2.gz AWLAZVSUFCQRAJ-LEWJYISDSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000568449923 505696456 /nfs/dbraw/zinc/69/64/56/505696456.db2.gz AWLAZVSUFCQRAJ-LEWJYISDSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000568449923 505696458 /nfs/dbraw/zinc/69/64/58/505696458.db2.gz AWLAZVSUFCQRAJ-LEWJYISDSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000568449923 505696460 /nfs/dbraw/zinc/69/64/60/505696460.db2.gz AWLAZVSUFCQRAJ-LEWJYISDSA-N 2 1 357.542 3.086 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000072020129 494116855 /nfs/dbraw/zinc/11/68/55/494116855.db2.gz USNZTJSWECKWAB-HDICACEKSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000086366827 494150474 /nfs/dbraw/zinc/15/04/74/494150474.db2.gz PUEGTPKHYIBVCK-NVXWUHKLSA-N 2 1 367.497 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000086366827 494150478 /nfs/dbraw/zinc/15/04/78/494150478.db2.gz PUEGTPKHYIBVCK-NVXWUHKLSA-N 2 1 367.497 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000086368763 494150784 /nfs/dbraw/zinc/15/07/84/494150784.db2.gz XVHTVPYNCWDASW-DLBZAZTESA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC000086390540 494151669 /nfs/dbraw/zinc/15/16/69/494151669.db2.gz NUOSDMBVZMBFHA-INIZCTEOSA-N 2 1 357.502 3.271 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC000086390540 494151671 /nfs/dbraw/zinc/15/16/71/494151671.db2.gz NUOSDMBVZMBFHA-INIZCTEOSA-N 2 1 357.502 3.271 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086396268 494152507 /nfs/dbraw/zinc/15/25/07/494152507.db2.gz YJYZZECPRUQSKJ-JXFKEZNVSA-N 2 1 369.513 3.415 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086396268 494152509 /nfs/dbraw/zinc/15/25/09/494152509.db2.gz YJYZZECPRUQSKJ-JXFKEZNVSA-N 2 1 369.513 3.415 20 0 FGADMP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000088250402 494220791 /nfs/dbraw/zinc/22/07/91/494220791.db2.gz OWJYKLLRUIDATO-FQEVSTJZSA-N 2 1 369.509 3.082 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000072718367 494239842 /nfs/dbraw/zinc/23/98/42/494239842.db2.gz MLAFZUGVLXQYRZ-OAHLLOKOSA-N 2 1 351.441 3.101 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC000065868468 494249615 /nfs/dbraw/zinc/24/96/15/494249615.db2.gz YPSRWOBJNVCGDE-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910824 494251922 /nfs/dbraw/zinc/25/19/22/494251922.db2.gz FRIHDQHHLZOAPD-MRXNPFEDSA-N 2 1 352.567 3.107 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269118 494282848 /nfs/dbraw/zinc/28/28/48/494282848.db2.gz HRKLJEXGKYRMRO-OAHLLOKOSA-N 2 1 355.473 3.307 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000580250752 505712966 /nfs/dbraw/zinc/71/29/66/505712966.db2.gz NOAHFRFHIPMUPF-AZUAARDMSA-N 3 1 361.599 3.457 20 0 FGADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000580250752 505712970 /nfs/dbraw/zinc/71/29/70/505712970.db2.gz NOAHFRFHIPMUPF-AZUAARDMSA-N 2 1 361.599 3.457 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078714979 494347623 /nfs/dbraw/zinc/34/76/23/494347623.db2.gz VPMRFZXLCCSDAP-INIZCTEOSA-N 2 1 357.498 3.345 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000577385450 505717560 /nfs/dbraw/zinc/71/75/60/505717560.db2.gz JPZSXOYWHCODQK-GUYCJALGSA-N 2 1 355.404 3.040 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000045121410 494399225 /nfs/dbraw/zinc/39/92/25/494399225.db2.gz MXWPJPPXIYRQOH-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000073628251 494403763 /nfs/dbraw/zinc/40/37/63/494403763.db2.gz DTGBXZMDWFLZEM-NRFANRHFSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000073677002 494411877 /nfs/dbraw/zinc/41/18/77/494411877.db2.gz FNDBJKQQYXMQRR-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073677002 494411879 /nfs/dbraw/zinc/41/18/79/494411879.db2.gz FNDBJKQQYXMQRR-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073677002 494411884 /nfs/dbraw/zinc/41/18/84/494411884.db2.gz FNDBJKQQYXMQRR-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000045462945 494430893 /nfs/dbraw/zinc/43/08/93/494430893.db2.gz FKCXKQGZRMRTHP-UHFFFAOYSA-N 2 1 374.573 3.446 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000073898579 494445615 /nfs/dbraw/zinc/44/56/15/494445615.db2.gz AOTUYINVWGVNGO-ZWKOTPCHSA-N 2 1 364.534 3.178 20 0 FGADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394176 494446263 /nfs/dbraw/zinc/44/62/63/494446263.db2.gz BEQZONWUYQWYHW-TZIWHRDSSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394176 494446267 /nfs/dbraw/zinc/44/62/67/494446267.db2.gz BEQZONWUYQWYHW-TZIWHRDSSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394176 494446270 /nfs/dbraw/zinc/44/62/70/494446270.db2.gz BEQZONWUYQWYHW-TZIWHRDSSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394176 494446274 /nfs/dbraw/zinc/44/62/74/494446274.db2.gz BEQZONWUYQWYHW-TZIWHRDSSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394177 494446415 /nfs/dbraw/zinc/44/64/15/494446415.db2.gz BEQZONWUYQWYHW-PZJWPPBQSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394177 494446418 /nfs/dbraw/zinc/44/64/18/494446418.db2.gz BEQZONWUYQWYHW-PZJWPPBQSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394177 494446423 /nfs/dbraw/zinc/44/64/23/494446423.db2.gz BEQZONWUYQWYHW-PZJWPPBQSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000079394177 494446428 /nfs/dbraw/zinc/44/64/28/494446428.db2.gz BEQZONWUYQWYHW-PZJWPPBQSA-N 2 1 372.557 3.197 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462322 494460307 /nfs/dbraw/zinc/46/03/07/494460307.db2.gz UKNXLLQJHDYGFA-DYESRHJHSA-N 2 1 369.509 3.372 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462322 494460310 /nfs/dbraw/zinc/46/03/10/494460310.db2.gz UKNXLLQJHDYGFA-DYESRHJHSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462322 494460312 /nfs/dbraw/zinc/46/03/12/494460312.db2.gz UKNXLLQJHDYGFA-DYESRHJHSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462322 494460315 /nfs/dbraw/zinc/46/03/15/494460315.db2.gz UKNXLLQJHDYGFA-DYESRHJHSA-N 2 1 369.509 3.372 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000045788977 494461956 /nfs/dbraw/zinc/46/19/56/494461956.db2.gz BPLPMGQQPCFDSC-UHFFFAOYSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000074010936 494465726 /nfs/dbraw/zinc/46/57/26/494465726.db2.gz NDKVJMMQIDJWSP-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000079569724 494484212 /nfs/dbraw/zinc/48/42/12/494484212.db2.gz FGFISHIUOCQUOZ-HXUWFJFHSA-N 2 1 360.546 3.051 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)C4(CCC4)C3)CC2)CC1 ZINC000574217808 505723462 /nfs/dbraw/zinc/72/34/62/505723462.db2.gz WCNINRUXDGRWOZ-SFHVURJKSA-N 2 1 361.574 3.221 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)Cc1ccccc1 ZINC000090655989 494490941 /nfs/dbraw/zinc/49/09/41/494490941.db2.gz FJTBLVKLLZJZNM-WMZHIEFXSA-N 2 1 352.522 3.275 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000079627268 494496299 /nfs/dbraw/zinc/49/62/99/494496299.db2.gz PVIGIHUISRBZPE-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000574226592 505724306 /nfs/dbraw/zinc/72/43/06/505724306.db2.gz AQVURYUQJUCMIX-MRXNPFEDSA-N 2 1 352.320 3.102 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733754 494518366 /nfs/dbraw/zinc/51/83/66/494518366.db2.gz CKFSJRNJZRFULM-CTNGQTDRSA-N 2 1 374.573 3.113 20 0 FGADMP Cc1cccc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000091060244 494521807 /nfs/dbraw/zinc/52/18/07/494521807.db2.gz DLUJCYRLRUJWDH-OAQYLSRUSA-N 2 1 365.521 3.291 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1CC ZINC000074496992 494547745 /nfs/dbraw/zinc/54/77/45/494547745.db2.gz CVAIDGGIPXQZJZ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000074496992 494547750 /nfs/dbraw/zinc/54/77/50/494547750.db2.gz CVAIDGGIPXQZJZ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000074496992 494547756 /nfs/dbraw/zinc/54/77/56/494547756.db2.gz CVAIDGGIPXQZJZ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080110795 494600932 /nfs/dbraw/zinc/60/09/32/494600932.db2.gz WPDHAAVPTKDPCJ-NLWGTHIKSA-N 2 1 360.546 3.069 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080110795 494600939 /nfs/dbraw/zinc/60/09/39/494600939.db2.gz WPDHAAVPTKDPCJ-NLWGTHIKSA-N 2 1 360.546 3.069 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080110795 494600945 /nfs/dbraw/zinc/60/09/45/494600945.db2.gz WPDHAAVPTKDPCJ-NLWGTHIKSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000126079605 494629401 /nfs/dbraw/zinc/62/94/01/494629401.db2.gz OJNCVEWMVFFKLR-LPHOPBHVSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000126079605 494629409 /nfs/dbraw/zinc/62/94/09/494629409.db2.gz OJNCVEWMVFFKLR-LPHOPBHVSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)C[C@H](C)O1 ZINC000131558488 494657655 /nfs/dbraw/zinc/65/76/55/494657655.db2.gz LWUJKPGLWURVNX-HOTGVXAUSA-N 2 1 353.466 3.007 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000108429104 494705335 /nfs/dbraw/zinc/70/53/35/494705335.db2.gz RUKGHOZHSQVFAD-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[N@@H+](CCCO)C1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000126319914 494707612 /nfs/dbraw/zinc/70/76/12/494707612.db2.gz OWVCSMVUWZNUAQ-UHFFFAOYSA-N 2 1 362.905 3.009 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126454617 494756603 /nfs/dbraw/zinc/75/66/03/494756603.db2.gz OCNCLUVSYOPGKG-UYAOXDASSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NC1CCCCC1 ZINC000092821252 494763418 /nfs/dbraw/zinc/76/34/18/494763418.db2.gz RMAYYICUKQDCBF-UHFFFAOYSA-N 2 1 358.530 3.069 20 0 FGADMP CCO[C@@H](C)c1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821174 494764935 /nfs/dbraw/zinc/76/49/35/494764935.db2.gz LCYYMKJXEVZTDU-INIZCTEOSA-N 2 1 373.501 3.301 20 0 FGADMP CCO[C@@H](C)c1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821174 494764941 /nfs/dbraw/zinc/76/49/41/494764941.db2.gz LCYYMKJXEVZTDU-INIZCTEOSA-N 2 1 373.501 3.301 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000121462198 494766760 /nfs/dbraw/zinc/76/67/60/494766760.db2.gz VWMOARGRFOLROR-KRWDZBQOSA-N 2 1 358.505 3.263 20 0 FGADMP C[C@@H]1C[N@H+](C2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782585 /nfs/dbraw/zinc/78/25/85/494782585.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[NH+](C2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782589 /nfs/dbraw/zinc/78/25/89/494782589.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[NH+](C2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079541 494782596 /nfs/dbraw/zinc/78/25/96/494782596.db2.gz PVLZQBZDGPRRIH-HXUWFJFHSA-N 2 1 373.585 3.330 20 0 FGADMP C[NH+](C)CCC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000121634863 494826568 /nfs/dbraw/zinc/82/65/68/494826568.db2.gz SCHPHTTVCQXGBJ-LJQANCHMSA-N 2 1 363.933 3.499 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)OCO2 ZINC000126745717 494831465 /nfs/dbraw/zinc/83/14/65/494831465.db2.gz PZEJEZRHMWMSJG-KRWDZBQOSA-N 2 1 367.493 3.014 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000121673580 494835388 /nfs/dbraw/zinc/83/53/88/494835388.db2.gz VHWITVMWAJJHDD-BURNTYAHSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000121673580 494835396 /nfs/dbraw/zinc/83/53/96/494835396.db2.gz VHWITVMWAJJHDD-BURNTYAHSA-N 2 1 358.526 3.243 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564128 494901378 /nfs/dbraw/zinc/90/13/78/494901378.db2.gz MZBGOPYXJSJITL-HKUYNNGSSA-N 2 1 360.498 3.077 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564128 494901379 /nfs/dbraw/zinc/90/13/79/494901379.db2.gz MZBGOPYXJSJITL-HKUYNNGSSA-N 2 1 360.498 3.077 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1)C1CC1 ZINC000127223250 494912932 /nfs/dbraw/zinc/91/29/32/494912932.db2.gz RUCYRSGFSGLSBM-LJQANCHMSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000127308113 494925582 /nfs/dbraw/zinc/92/55/82/494925582.db2.gz MUMSTXLFGALRGK-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000122156315 494933104 /nfs/dbraw/zinc/93/31/04/494933104.db2.gz RBFPJBOHVGTLFA-UHFFFAOYSA-N 2 1 364.534 3.298 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000122156315 494933107 /nfs/dbraw/zinc/93/31/07/494933107.db2.gz RBFPJBOHVGTLFA-UHFFFAOYSA-N 2 1 364.534 3.298 20 0 FGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000110032065 494941331 /nfs/dbraw/zinc/94/13/31/494941331.db2.gz ADJQCMGESYOEAW-INIZCTEOSA-N 2 1 363.933 3.277 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000127438304 494944263 /nfs/dbraw/zinc/94/42/63/494944263.db2.gz ALJDFSCOXAESTI-SFHVURJKSA-N 2 1 356.470 3.002 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000127438304 494944268 /nfs/dbraw/zinc/94/42/68/494944268.db2.gz ALJDFSCOXAESTI-SFHVURJKSA-N 2 1 356.470 3.002 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000127460146 494947877 /nfs/dbraw/zinc/94/78/77/494947877.db2.gz DDURJXHYUMWRIL-XLIONFOSSA-N 2 1 370.541 3.097 20 0 FGADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000122407421 494969916 /nfs/dbraw/zinc/96/99/16/494969916.db2.gz MKWBQBGDCUMVBE-HTAPYJJXSA-N 2 1 370.537 3.480 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568389 505754336 /nfs/dbraw/zinc/75/43/36/505754336.db2.gz RDNRXVXFDDIIPH-WBAXXEDZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568389 505754339 /nfs/dbraw/zinc/75/43/39/505754339.db2.gz RDNRXVXFDDIIPH-WBAXXEDZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568389 505754343 /nfs/dbraw/zinc/75/43/43/505754343.db2.gz RDNRXVXFDDIIPH-WBAXXEDZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000577568389 505754344 /nfs/dbraw/zinc/75/43/44/505754344.db2.gz RDNRXVXFDDIIPH-WBAXXEDZSA-N 2 1 366.937 3.113 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000571527016 505754815 /nfs/dbraw/zinc/75/48/15/505754815.db2.gz DQKRNLKDTNXHIL-QGZVFWFLSA-N 2 1 370.497 3.113 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@]4(CC[C@H](C)C4)C3)CC2)CC1 ZINC000571535544 505757387 /nfs/dbraw/zinc/75/73/87/505757387.db2.gz RDOYWWMGTBUCNE-AVRDEDQJSA-N 2 1 361.574 3.221 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000122844719 495039628 /nfs/dbraw/zinc/03/96/28/495039628.db2.gz NYOJCTXJDWVUSK-PKOBYXMFSA-N 2 1 373.541 3.187 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000122844719 495039629 /nfs/dbraw/zinc/03/96/29/495039629.db2.gz NYOJCTXJDWVUSK-PKOBYXMFSA-N 2 1 373.541 3.187 20 0 FGADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000111108044 495040269 /nfs/dbraw/zinc/04/02/69/495040269.db2.gz YYLPEAUYOQNSQI-FQEVSTJZSA-N 2 1 355.482 3.259 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000128271227 495071508 /nfs/dbraw/zinc/07/15/08/495071508.db2.gz SPKRYGBVDSHYIV-WIYYLYMNSA-N 2 1 374.573 3.400 20 0 FGADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC(F)F ZINC000577600864 505761498 /nfs/dbraw/zinc/76/14/98/505761498.db2.gz SZNWNBDTSWWYQI-XJKSGUPXSA-N 2 1 350.409 3.345 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000111801111 495112947 /nfs/dbraw/zinc/11/29/47/495112947.db2.gz RRGJICCCLSBMLC-SJORKVTESA-N 2 1 364.559 3.059 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1 ZINC000128549598 495114640 /nfs/dbraw/zinc/11/46/40/495114640.db2.gz FUPBVBCHVPSHTE-UHFFFAOYSA-N 2 1 365.565 3.458 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2ccnc2C)C1 ZINC000111847390 495119910 /nfs/dbraw/zinc/11/99/10/495119910.db2.gz FATMIALSCXDFQC-SJLPKXTDSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000111847390 495119912 /nfs/dbraw/zinc/11/99/12/495119912.db2.gz FATMIALSCXDFQC-SJLPKXTDSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000111847390 495119914 /nfs/dbraw/zinc/11/99/14/495119914.db2.gz FATMIALSCXDFQC-SJLPKXTDSA-N 2 1 363.550 3.027 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119425232 495164460 /nfs/dbraw/zinc/16/44/60/495164460.db2.gz BQCJEXPOERXPOK-KBPBESRZSA-N 2 1 369.431 3.496 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+]2CCCC2)cc1 ZINC000112742434 495233810 /nfs/dbraw/zinc/23/38/10/495233810.db2.gz VWWXBISESKHBNV-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000568746991 505768887 /nfs/dbraw/zinc/76/88/87/505768887.db2.gz YDODCDOTNXADGO-QGZVFWFLSA-N 2 1 370.324 3.201 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000129740235 495288975 /nfs/dbraw/zinc/28/89/75/495288975.db2.gz GRKFBJQSNYRZPH-NQIIRXRSSA-N 2 1 357.542 3.101 20 0 FGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000124503297 495298513 /nfs/dbraw/zinc/29/85/13/495298513.db2.gz FSTITVMZVLBGRC-NRFANRHFSA-N 2 1 359.558 3.380 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105113396 495337379 /nfs/dbraw/zinc/33/73/79/495337379.db2.gz WAKVVRHBTZOUQZ-GOSISDBHSA-N 2 1 372.557 3.060 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)c1 ZINC000105118843 495339152 /nfs/dbraw/zinc/33/91/52/495339152.db2.gz NATYEKXVPYVALV-FQEVSTJZSA-N 2 1 360.546 3.060 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000105207654 495345526 /nfs/dbraw/zinc/34/55/26/495345526.db2.gz XUMWZJWITGVEQF-CTNGQTDRSA-N 2 1 372.557 3.163 20 0 FGADMP Brc1ccc2c(c1)[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135163 495346213 /nfs/dbraw/zinc/34/62/13/495346213.db2.gz SMIQQLCUZBINGF-IIAWOOMASA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135163 495346215 /nfs/dbraw/zinc/34/62/15/495346215.db2.gz SMIQQLCUZBINGF-IIAWOOMASA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000130135163 495346219 /nfs/dbraw/zinc/34/62/19/495346219.db2.gz SMIQQLCUZBINGF-IIAWOOMASA-N 2 1 351.288 3.489 20 0 FGADMP Cc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000114455700 495376813 /nfs/dbraw/zinc/37/68/13/495376813.db2.gz NGLQNCKQFNDOTD-NRFANRHFSA-N 2 1 357.542 3.429 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130384807 495384156 /nfs/dbraw/zinc/38/41/56/495384156.db2.gz RKCCSVBHQQGBOR-DENIHFKCSA-N 2 1 370.541 3.141 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114827514 495432178 /nfs/dbraw/zinc/43/21/78/495432178.db2.gz ZLBBPLFWWAJUPL-NRFANRHFSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000137932634 495453697 /nfs/dbraw/zinc/45/36/97/495453697.db2.gz YRTHHHTZGQRJLC-QGZVFWFLSA-N 2 1 361.530 3.187 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000125511407 495456200 /nfs/dbraw/zinc/45/62/00/495456200.db2.gz WNOKZGLLFUAPKD-GOSISDBHSA-N 2 1 360.889 3.362 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000125511407 495456205 /nfs/dbraw/zinc/45/62/05/495456205.db2.gz WNOKZGLLFUAPKD-GOSISDBHSA-N 2 1 360.889 3.362 20 0 FGADMP CCC(CC)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000130910715 495464792 /nfs/dbraw/zinc/46/47/92/495464792.db2.gz KBVYWXBMIWDJAV-UHFFFAOYSA-N 2 1 359.558 3.383 20 0 FGADMP C[N@H+](CCCO)C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000115547763 495515237 /nfs/dbraw/zinc/51/52/37/495515237.db2.gz PUIKWZQFZSRYJX-UHFFFAOYSA-N 2 1 356.510 3.387 20 0 FGADMP C[N@@H+](CCCO)C1CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000115547763 495515242 /nfs/dbraw/zinc/51/52/42/495515242.db2.gz PUIKWZQFZSRYJX-UHFFFAOYSA-N 2 1 356.510 3.387 20 0 FGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000115616654 495521322 /nfs/dbraw/zinc/52/13/22/495521322.db2.gz QNRBVIKPZNHKAL-INIZCTEOSA-N 2 1 373.472 3.071 20 0 FGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000115616654 495521324 /nfs/dbraw/zinc/52/13/24/495521324.db2.gz QNRBVIKPZNHKAL-INIZCTEOSA-N 2 1 373.472 3.071 20 0 FGADMP CN(C(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580567981 505788475 /nfs/dbraw/zinc/78/84/75/505788475.db2.gz QZENANSKNNHYHR-FQEVSTJZSA-N 2 1 351.494 3.095 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182403899 495550270 /nfs/dbraw/zinc/55/02/70/495550270.db2.gz AWSMYMWUEPEDNS-ZWKOTPCHSA-N 2 1 366.933 3.338 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000182403899 495550276 /nfs/dbraw/zinc/55/02/76/495550276.db2.gz AWSMYMWUEPEDNS-ZWKOTPCHSA-N 2 1 366.933 3.338 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000158665604 495562718 /nfs/dbraw/zinc/56/27/18/495562718.db2.gz UVDSLDFJEMWKIC-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CCc1ccccc1CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000580582563 505791088 /nfs/dbraw/zinc/79/10/88/505791088.db2.gz QWAMWXNIONWIFP-UHFFFAOYSA-N 2 1 357.542 3.062 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154396950 495604962 /nfs/dbraw/zinc/60/49/62/495604962.db2.gz FWSXQYVQZTXYQU-MRXNPFEDSA-N 2 1 373.570 3.192 20 0 FGADMP C[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc2ccccc2c1 ZINC000158875142 495605967 /nfs/dbraw/zinc/60/59/67/495605967.db2.gz QXRZHLICELLWCH-MTNREXPMSA-N 2 1 365.521 3.433 20 0 FGADMP CCOCc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1OC ZINC000179528309 495628896 /nfs/dbraw/zinc/62/88/96/495628896.db2.gz GWLYSUKEZLEIMI-UHFFFAOYSA-N 2 1 357.498 3.420 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176403906 495639038 /nfs/dbraw/zinc/63/90/38/495639038.db2.gz FVOIXTGHTXYXJE-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150818163 495644485 /nfs/dbraw/zinc/64/44/85/495644485.db2.gz UQYFJQSNYSKUGF-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP NC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159064753 495648876 /nfs/dbraw/zinc/64/88/76/495648876.db2.gz RQCFUAMGQPQKBM-VXKWHMMOSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000159064753 495648880 /nfs/dbraw/zinc/64/88/80/495648880.db2.gz RQCFUAMGQPQKBM-VXKWHMMOSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000159064753 495648883 /nfs/dbraw/zinc/64/88/83/495648883.db2.gz RQCFUAMGQPQKBM-VXKWHMMOSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000159064753 495648886 /nfs/dbraw/zinc/64/88/86/495648886.db2.gz RQCFUAMGQPQKBM-VXKWHMMOSA-N 2 1 363.505 3.272 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185670575 495672353 /nfs/dbraw/zinc/67/23/53/495672353.db2.gz YFZOYMDKMZBTOP-ILXRZTDVSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185670575 495672359 /nfs/dbraw/zinc/67/23/59/495672359.db2.gz YFZOYMDKMZBTOP-ILXRZTDVSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680662 495677429 /nfs/dbraw/zinc/67/74/29/495677429.db2.gz BVOAFKKAHKCWBR-SJORKVTESA-N 2 1 360.498 3.427 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173752387 495677523 /nfs/dbraw/zinc/67/75/23/495677523.db2.gz CYYFHSDNLMZFTH-YLJYHZDGSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173752387 495677527 /nfs/dbraw/zinc/67/75/27/495677527.db2.gz CYYFHSDNLMZFTH-YLJYHZDGSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173752387 495677530 /nfs/dbraw/zinc/67/75/30/495677530.db2.gz CYYFHSDNLMZFTH-YLJYHZDGSA-N 2 1 360.546 3.151 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185698039 495685058 /nfs/dbraw/zinc/68/50/58/495685058.db2.gz WJNUROYGDJCDKT-YESZJQIVSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185698039 495685065 /nfs/dbraw/zinc/68/50/65/495685065.db2.gz WJNUROYGDJCDKT-YESZJQIVSA-N 2 1 359.514 3.265 20 0 FGADMP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000185715883 495694573 /nfs/dbraw/zinc/69/45/73/495694573.db2.gz KMZDAEJRMXQKOH-HZPDHXFCSA-N 2 1 350.478 3.010 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000150968882 495698227 /nfs/dbraw/zinc/69/82/27/495698227.db2.gz VDRXDCBXZCDKEM-GASCZTMLSA-N 2 1 361.461 3.288 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000150968882 495698231 /nfs/dbraw/zinc/69/82/31/495698231.db2.gz VDRXDCBXZCDKEM-GASCZTMLSA-N 2 1 361.461 3.288 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751441 495709915 /nfs/dbraw/zinc/70/99/15/495709915.db2.gz PWGWUPIOVBYTFS-AOIWGVFYSA-N 2 1 371.525 3.150 20 0 FGADMP O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868859 495725871 /nfs/dbraw/zinc/72/58/71/495725871.db2.gz HUVDAXVRWOGVRP-DENIHFKCSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868859 495725874 /nfs/dbraw/zinc/72/58/74/495725874.db2.gz HUVDAXVRWOGVRP-DENIHFKCSA-N 2 1 368.521 3.387 20 0 FGADMP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000574559617 505802003 /nfs/dbraw/zinc/80/20/03/505802003.db2.gz YRSMRTLDSQEBEE-UHFFFAOYSA-N 2 1 367.537 3.432 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000154971831 495790679 /nfs/dbraw/zinc/79/06/79/495790679.db2.gz CVCYKXMUJSBYHB-UHFFFAOYSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)c(Br)c1 ZINC000151357394 495813868 /nfs/dbraw/zinc/81/38/68/495813868.db2.gz RCTULOLSWLSOOL-LBPRGKRZSA-N 2 1 359.283 3.086 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171388224 495850722 /nfs/dbraw/zinc/85/07/22/495850722.db2.gz RDLVNOSPZBFHKW-KRWDZBQOSA-N 2 1 359.514 3.138 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000183268836 495908600 /nfs/dbraw/zinc/90/86/00/495908600.db2.gz NMXRCYGFNWIVIW-HXUWFJFHSA-N 2 1 353.466 3.017 20 0 FGADMP C[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccc(F)cc1 ZINC000177077620 495914453 /nfs/dbraw/zinc/91/44/53/495914453.db2.gz LXDZPPNOJVMERJ-UHFFFAOYSA-N 2 1 369.484 3.283 20 0 FGADMP CCc1ccc([C@@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[NH2+]2)cc1 ZINC000577885370 505812275 /nfs/dbraw/zinc/81/22/75/505812275.db2.gz HYSLSNJICTUCNS-QFIPXVFZSA-N 2 1 365.521 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183499018 496010972 /nfs/dbraw/zinc/01/09/72/496010972.db2.gz QGPDSEIUNZTAOV-XQBPLPMBSA-N 3 1 359.558 3.022 20 0 FGADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183499018 496010978 /nfs/dbraw/zinc/01/09/78/496010978.db2.gz QGPDSEIUNZTAOV-XQBPLPMBSA-N 2 1 359.558 3.022 20 0 FGADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C2(CCCCC2)C1 ZINC000174571739 496015587 /nfs/dbraw/zinc/01/55/87/496015587.db2.gz DDBPKXSJHUWPHY-UHFFFAOYSA-N 2 1 355.526 3.373 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1 ZINC000177322443 496017443 /nfs/dbraw/zinc/01/74/43/496017443.db2.gz LNTNPLHDYMPVPY-RHSMWYFYSA-N 2 1 355.320 3.337 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689514 496037126 /nfs/dbraw/zinc/03/71/26/496037126.db2.gz GYKGOAWKNQBMRX-MAUKXSAKSA-N 2 1 353.576 3.283 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccnc(-n3ccnc3)c2)c1 ZINC000171852694 496063364 /nfs/dbraw/zinc/06/33/64/496063364.db2.gz LCJQTNFEJPRYOX-UHFFFAOYSA-N 2 1 363.465 3.038 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)C[C@@H](C)O1 ZINC000177498169 496086542 /nfs/dbraw/zinc/08/65/42/496086542.db2.gz BACWPHROEIINDX-HZPDHXFCSA-N 2 1 374.485 3.041 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000183803247 496122042 /nfs/dbraw/zinc/12/20/42/496122042.db2.gz MKTILWYURQBUKH-ROUUACIJSA-N 2 1 362.514 3.257 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000183803247 496122049 /nfs/dbraw/zinc/12/20/49/496122049.db2.gz MKTILWYURQBUKH-ROUUACIJSA-N 2 1 362.514 3.257 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)CC1 ZINC000177716909 496170566 /nfs/dbraw/zinc/17/05/66/496170566.db2.gz OBKLOCJPGTZLLL-NRFANRHFSA-N 2 1 373.516 3.079 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(c2ccsc2)CC1)c1ccccc1 ZINC000186935956 496219231 /nfs/dbraw/zinc/21/92/31/496219231.db2.gz YGEHOQCVLNGTJU-HXUWFJFHSA-N 2 1 371.550 3.347 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000172243452 496223994 /nfs/dbraw/zinc/22/39/94/496223994.db2.gz DAADFZJKSGYDET-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000172243452 496223995 /nfs/dbraw/zinc/22/39/95/496223995.db2.gz DAADFZJKSGYDET-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000172243457 496224286 /nfs/dbraw/zinc/22/42/86/496224286.db2.gz DAADFZJKSGYDET-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccc(Cl)cc2)CC1 ZINC000172243457 496224291 /nfs/dbraw/zinc/22/42/91/496224291.db2.gz DAADFZJKSGYDET-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCSCC1 ZINC000186990574 496243028 /nfs/dbraw/zinc/24/30/28/496243028.db2.gz QCXCALBGDMPHQR-GHTZIAJQSA-N 2 1 361.599 3.487 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161860535 496251342 /nfs/dbraw/zinc/25/13/42/496251342.db2.gz KRVACCFQBPHQTD-MJGOQNOKSA-N 2 1 362.514 3.075 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000181128436 496280315 /nfs/dbraw/zinc/28/03/15/496280315.db2.gz RJJSHOIPWMYUHB-JQWIXIFHSA-N 2 1 351.800 3.205 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000181128436 496280316 /nfs/dbraw/zinc/28/03/16/496280316.db2.gz RJJSHOIPWMYUHB-JQWIXIFHSA-N 2 1 351.800 3.205 20 0 FGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178036201 496298090 /nfs/dbraw/zinc/29/80/90/496298090.db2.gz FWNPXHASBVRQIM-OKZBNKHCSA-N 2 1 362.514 3.215 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178075607 496317746 /nfs/dbraw/zinc/31/77/46/496317746.db2.gz QOWMSJDRMPUPQJ-HKUYNNGSSA-N 2 1 359.514 3.187 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)ccc1F ZINC000153080725 496346852 /nfs/dbraw/zinc/34/68/52/496346852.db2.gz NIAYNGAEPQZUPS-KRWDZBQOSA-N 2 1 371.500 3.433 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162455342 496356171 /nfs/dbraw/zinc/35/61/71/496356171.db2.gz KLQOTHZFYOZJEG-GIVPXCGWSA-N 2 1 372.557 3.051 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC000574700338 505835570 /nfs/dbraw/zinc/83/55/70/505835570.db2.gz NVLZGFXCHLJAGN-CRAIPNDOSA-N 2 1 353.466 3.259 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)c2)cc1 ZINC000574700338 505835571 /nfs/dbraw/zinc/83/55/71/505835571.db2.gz NVLZGFXCHLJAGN-CRAIPNDOSA-N 2 1 353.466 3.259 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187290906 496378992 /nfs/dbraw/zinc/37/89/92/496378992.db2.gz LIATVERUHKLUNA-GJZGRUSLSA-N 2 1 361.511 3.045 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000157055367 496395184 /nfs/dbraw/zinc/39/51/84/496395184.db2.gz RACRKCUZGZWPCF-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000157055367 496395189 /nfs/dbraw/zinc/39/51/89/496395189.db2.gz RACRKCUZGZWPCF-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055367 496395191 /nfs/dbraw/zinc/39/51/91/496395191.db2.gz RACRKCUZGZWPCF-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000157055367 496395196 /nfs/dbraw/zinc/39/51/96/496395196.db2.gz RACRKCUZGZWPCF-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)CCn3cc[nH+]c3C(C)C)c2)CC1 ZINC000187406179 496428011 /nfs/dbraw/zinc/42/80/11/496428011.db2.gz NAANYUCXVIXZRS-UHFFFAOYSA-N 2 1 369.513 3.177 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)COc1ncccc1Br ZINC000181518487 496429830 /nfs/dbraw/zinc/42/98/30/496429830.db2.gz OQLOBCVGXFALBK-CYBMUJFWSA-N 2 1 356.308 3.075 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000172809487 496441215 /nfs/dbraw/zinc/44/12/15/496441215.db2.gz LSWLVLWJOMHOFW-IBGZPJMESA-N 2 1 373.541 3.468 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317505 496497917 /nfs/dbraw/zinc/49/79/17/496497917.db2.gz SWXYOGLPPYDXCU-MRXNPFEDSA-N 2 1 356.436 3.097 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317505 496497921 /nfs/dbraw/zinc/49/79/21/496497921.db2.gz SWXYOGLPPYDXCU-MRXNPFEDSA-N 2 1 356.436 3.097 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000163317505 496497927 /nfs/dbraw/zinc/49/79/27/496497927.db2.gz SWXYOGLPPYDXCU-MRXNPFEDSA-N 2 1 356.436 3.097 20 0 FGADMP CCCN(C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC[NH2+]CC1 ZINC000163347045 496502480 /nfs/dbraw/zinc/50/24/80/496502480.db2.gz QFTFSKOZRYQWSD-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000569085753 505849096 /nfs/dbraw/zinc/84/90/96/505849096.db2.gz UJWREMVDHCDCEB-ZHALLVOQSA-N 2 1 372.538 3.130 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000178672808 496535009 /nfs/dbraw/zinc/53/50/09/496535009.db2.gz DFTNBGMONKRXKL-MRXNPFEDSA-N 2 1 367.946 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163815998 496560852 /nfs/dbraw/zinc/56/08/52/496560852.db2.gz LYOYPMLDEKPKHI-APWZRJJASA-N 2 1 372.557 3.115 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000173137644 496565130 /nfs/dbraw/zinc/56/51/30/496565130.db2.gz LQVAMUGMRAEQTK-PXNSSMCTSA-N 2 1 374.529 3.028 20 0 FGADMP CC[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000184914728 496582935 /nfs/dbraw/zinc/58/29/35/496582935.db2.gz SBARRCSNKBQRGN-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929487 496589044 /nfs/dbraw/zinc/58/90/44/496589044.db2.gz VTGZSGKJIBKXQT-HOTGVXAUSA-N 2 1 370.534 3.392 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1 ZINC000184937300 496592416 /nfs/dbraw/zinc/59/24/16/496592416.db2.gz NATOOCHRTRTJRR-KRWDZBQOSA-N 2 1 360.523 3.009 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000571952055 505854010 /nfs/dbraw/zinc/85/40/10/505854010.db2.gz BLBMPDGXBBHFCW-VQTJNVASSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000164637145 496624759 /nfs/dbraw/zinc/62/47/59/496624759.db2.gz JQHOFENIOKKYHT-UHFFFAOYSA-N 2 1 358.505 3.408 20 0 FGADMP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185060822 496641925 /nfs/dbraw/zinc/64/19/25/496641925.db2.gz JBFLBCNSIIQXQP-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000173391480 496672733 /nfs/dbraw/zinc/67/27/33/496672733.db2.gz GMPYKDNIURNOAN-OAHLLOKOSA-N 2 1 354.336 3.127 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1F ZINC000166032274 496676568 /nfs/dbraw/zinc/67/65/68/496676568.db2.gz WEXQXQMSTDRUNX-SJLPKXTDSA-N 2 1 358.461 3.234 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414937 496686089 /nfs/dbraw/zinc/68/60/89/496686089.db2.gz LRJUBHXYLGRACW-BDTNDASRSA-N 2 1 369.553 3.388 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166445111 496687085 /nfs/dbraw/zinc/68/70/85/496687085.db2.gz AMLNBXHDIKTKSJ-SLYNCCJLSA-N 2 1 370.541 3.220 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166768030 496692137 /nfs/dbraw/zinc/69/21/37/496692137.db2.gz QRADJZPRUZVCJG-HUUCEWRRSA-N 2 1 365.905 3.202 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2Oc2cccnc2)CC12CCOCC2 ZINC000574814218 505861369 /nfs/dbraw/zinc/86/13/69/505861369.db2.gz DOHQUENGZLDFSV-SFHVURJKSA-N 2 1 353.466 3.061 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000182252946 496720371 /nfs/dbraw/zinc/72/03/71/496720371.db2.gz FFPPJENXBFMHGQ-SFTDATJTSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182352421 496731010 /nfs/dbraw/zinc/73/10/10/496731010.db2.gz BNRDQUGKYKESNK-MSOLQXFVSA-N 2 1 352.567 3.057 20 0 FGADMP O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000247016465 496752913 /nfs/dbraw/zinc/75/29/13/496752913.db2.gz XRYAIQKIEUEQIN-SCLBCKFNSA-N 2 1 365.880 3.366 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268748554 496772186 /nfs/dbraw/zinc/77/21/86/496772186.db2.gz ILPUQGJQPALROW-ICSRJNTNSA-N 2 1 367.541 3.190 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268748554 496772188 /nfs/dbraw/zinc/77/21/88/496772188.db2.gz ILPUQGJQPALROW-ICSRJNTNSA-N 2 1 367.541 3.190 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748618 496772943 /nfs/dbraw/zinc/77/29/43/496772943.db2.gz ISLSTFOLDCLMII-AZUAARDMSA-N 2 1 367.541 3.047 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000191476605 496776333 /nfs/dbraw/zinc/77/63/33/496776333.db2.gz KQUSVJKQCLNBQL-SFHVURJKSA-N 2 1 368.525 3.131 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc2C1 ZINC000191476605 496776337 /nfs/dbraw/zinc/77/63/37/496776337.db2.gz KQUSVJKQCLNBQL-SFHVURJKSA-N 2 1 368.525 3.131 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000247101285 496779046 /nfs/dbraw/zinc/77/90/46/496779046.db2.gz QAUWMOKYRCNHDC-URVUXULASA-N 2 1 358.574 3.394 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3cccc3[C@H]2c2ccccc2)CC1 ZINC000191560889 496812931 /nfs/dbraw/zinc/81/29/31/496812931.db2.gz NDHZDBUUMBCFDI-HSZRJFAPSA-N 2 1 366.553 3.309 20 0 FGADMP CS(=O)(=O)c1cccc(Cl)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000273493091 496822059 /nfs/dbraw/zinc/82/20/59/496822059.db2.gz WTPXOTOMTNMDSG-UHFFFAOYSA-N 2 1 372.962 3.489 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000188586038 496841914 /nfs/dbraw/zinc/84/19/14/496841914.db2.gz UFPXVFUWWOMQRO-IBGZPJMESA-N 2 1 374.573 3.402 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000247353374 496843285 /nfs/dbraw/zinc/84/32/85/496843285.db2.gz LQSURGKQWZSVJM-NQIIRXRSSA-N 2 1 372.557 3.194 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000247491375 496871166 /nfs/dbraw/zinc/87/11/66/496871166.db2.gz KZASVHWUGLJGDY-IEBWSBKVSA-N 2 1 357.542 3.196 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000574878190 505874234 /nfs/dbraw/zinc/87/42/34/505874234.db2.gz XNJVKDCOYPNYEE-OCCSQVGLSA-N 2 1 353.869 3.128 20 0 FGADMP CC[NH+](CCCCCC[N@H+](CC)Cc1cnn(C)c1)Cc1cnn(C)c1 ZINC000264367005 496883046 /nfs/dbraw/zinc/88/30/46/496883046.db2.gz WEBOROLOZCFDMW-UHFFFAOYSA-N 2 1 360.550 3.058 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000269258902 496905713 /nfs/dbraw/zinc/90/57/13/496905713.db2.gz LKYRCCYUMRGBNK-JZZBYWGLSA-N 2 1 365.521 3.349 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000574878192 505874589 /nfs/dbraw/zinc/87/45/89/505874589.db2.gz XNJVKDCOYPNYEE-TZMCWYRMSA-N 2 1 353.869 3.128 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)CCCn2cc[nH+]c2C)c1 ZINC000269517301 496962692 /nfs/dbraw/zinc/96/26/92/496962692.db2.gz UWXLPJZVBQAWJR-UHFFFAOYSA-N 2 1 371.529 3.265 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000248393787 496992584 /nfs/dbraw/zinc/99/25/84/496992584.db2.gz FCDLEITZFMUFCL-HBFSDRIKSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397955 496994072 /nfs/dbraw/zinc/99/40/72/496994072.db2.gz ILXRSRDEWYLDFF-JZXOWHBKSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397955 496994079 /nfs/dbraw/zinc/99/40/79/496994079.db2.gz ILXRSRDEWYLDFF-JZXOWHBKSA-N 2 1 364.555 3.394 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(C(C)C)CC3)CC2)CC1 ZINC000580961621 505878180 /nfs/dbraw/zinc/87/81/80/505878180.db2.gz XUOBCHKQJVRTRB-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(C)C ZINC000248436669 497011420 /nfs/dbraw/zinc/01/14/20/497011420.db2.gz GKMHBVQJGOYVIM-NJDAHSKKSA-N 2 1 360.542 3.183 20 0 FGADMP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000569211906 505879322 /nfs/dbraw/zinc/87/93/22/505879322.db2.gz UEMAYPGHJXDBDX-HSALFYBXSA-N 2 1 359.514 3.040 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248446344 497014359 /nfs/dbraw/zinc/01/43/59/497014359.db2.gz GXEOTIRUXXLEJP-OWCLPIDISA-N 2 1 372.431 3.004 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248446344 497014366 /nfs/dbraw/zinc/01/43/66/497014366.db2.gz GXEOTIRUXXLEJP-OWCLPIDISA-N 2 1 372.431 3.004 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000248446344 497014372 /nfs/dbraw/zinc/01/43/72/497014372.db2.gz GXEOTIRUXXLEJP-OWCLPIDISA-N 2 1 372.431 3.004 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459577 497018509 /nfs/dbraw/zinc/01/85/09/497018509.db2.gz NSRDZHTYZRZUHK-JKSUJKDBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459577 497018516 /nfs/dbraw/zinc/01/85/16/497018516.db2.gz NSRDZHTYZRZUHK-JKSUJKDBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459577 497018521 /nfs/dbraw/zinc/01/85/21/497018521.db2.gz NSRDZHTYZRZUHK-JKSUJKDBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248459577 497018529 /nfs/dbraw/zinc/01/85/29/497018529.db2.gz NSRDZHTYZRZUHK-JKSUJKDBSA-N 2 1 374.447 3.109 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C12CCCC2 ZINC000248459068 497019199 /nfs/dbraw/zinc/01/91/99/497019199.db2.gz VJMVUIVUKALUPW-NJDAHSKKSA-N 2 1 358.526 3.081 20 0 FGADMP Cc1nc(F)ccc1C[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000278278802 497060378 /nfs/dbraw/zinc/06/03/78/497060378.db2.gz AUBWMQQPFZQEJK-IYBDPMFKSA-N 2 1 357.473 3.428 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191658 505883451 /nfs/dbraw/zinc/88/34/51/505883451.db2.gz AECMCMUODTWBLJ-FQEVSTJZSA-N 2 1 364.493 3.464 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191658 505883452 /nfs/dbraw/zinc/88/34/52/505883452.db2.gz AECMCMUODTWBLJ-FQEVSTJZSA-N 2 1 364.493 3.464 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1Cl ZINC000189409632 497109731 /nfs/dbraw/zinc/10/97/31/497109731.db2.gz ORCPVCVFGALMFU-ZDUSSCGKSA-N 2 1 358.939 3.281 20 0 FGADMP c1c[nH]c([C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)c2cccnc2)n1 ZINC000248834813 497113814 /nfs/dbraw/zinc/11/38/14/497113814.db2.gz GIIDOJFQHJKXIV-PZJWPPBQSA-N 2 1 361.493 3.048 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248924822 497136516 /nfs/dbraw/zinc/13/65/16/497136516.db2.gz FQPBQNVPVYXARS-QHAWAJNXSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248924822 497136523 /nfs/dbraw/zinc/13/65/23/497136523.db2.gz FQPBQNVPVYXARS-QHAWAJNXSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248924822 497136527 /nfs/dbraw/zinc/13/65/27/497136527.db2.gz FQPBQNVPVYXARS-QHAWAJNXSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000192528718 497141570 /nfs/dbraw/zinc/14/15/70/497141570.db2.gz DJRUDMLDWULRNM-RBDMOPTHSA-N 2 1 351.494 3.030 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236760454 497142441 /nfs/dbraw/zinc/14/24/41/497142441.db2.gz ZZNXWGJCRLANFH-HYVNUMGLSA-N 2 1 371.447 3.188 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000192638022 497172074 /nfs/dbraw/zinc/17/20/74/497172074.db2.gz VZWLJPSQNAYGCT-HOCLYGCPSA-N 2 1 359.539 3.343 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192638008 497172199 /nfs/dbraw/zinc/17/21/99/497172199.db2.gz VZWLJPSQNAYGCT-GDBMZVCRSA-N 2 1 359.539 3.343 20 0 FGADMP CC[C@@]1(CO)CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@]1(CC)CO ZINC000189671221 497205322 /nfs/dbraw/zinc/20/53/22/497205322.db2.gz WVEGMRVDPPONDS-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000237293504 497215723 /nfs/dbraw/zinc/21/57/23/497215723.db2.gz WDZYCBMTFNRXKF-IAGOWNOFSA-N 2 1 367.493 3.268 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000578228047 505892327 /nfs/dbraw/zinc/89/23/27/505892327.db2.gz GISBANHJXOPRQW-BDTNDASRSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)cc1 ZINC000578228047 505892331 /nfs/dbraw/zinc/89/23/31/505892331.db2.gz GISBANHJXOPRQW-BDTNDASRSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000578228047 505892333 /nfs/dbraw/zinc/89/23/33/505892333.db2.gz GISBANHJXOPRQW-BDTNDASRSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000578228047 505892337 /nfs/dbraw/zinc/89/23/37/505892337.db2.gz GISBANHJXOPRQW-BDTNDASRSA-N 2 1 359.558 3.370 20 0 FGADMP C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237371377 497227451 /nfs/dbraw/zinc/22/74/51/497227451.db2.gz CZAVHICKYMDICK-WIYYLYMNSA-N 2 1 351.494 3.200 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)c(Cl)c1 ZINC000189781723 497242643 /nfs/dbraw/zinc/24/26/43/497242643.db2.gz WEOJXESMDZXILE-UHFFFAOYSA-N 2 1 374.754 3.172 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)on1 ZINC000249770431 497246080 /nfs/dbraw/zinc/24/60/80/497246080.db2.gz SEBWQSNUUMNIQD-WBVHZDCISA-N 2 1 370.497 3.332 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)on1 ZINC000249770431 497246084 /nfs/dbraw/zinc/24/60/84/497246084.db2.gz SEBWQSNUUMNIQD-WBVHZDCISA-N 2 1 370.497 3.332 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000192926283 497248519 /nfs/dbraw/zinc/24/85/19/497248519.db2.gz VPECDKJPVACGPK-IBGZPJMESA-N 2 1 361.493 3.094 20 0 FGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Br ZINC000192931569 497251130 /nfs/dbraw/zinc/25/11/30/497251130.db2.gz AQQJOVHFKJTNAV-FFHGMXDLSA-N 2 1 353.304 3.431 20 0 FGADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(Cc2cccc(F)c2)no1 ZINC000278903150 497261717 /nfs/dbraw/zinc/26/17/17/497261717.db2.gz RVSAPQVSSWRIQL-UHFFFAOYSA-N 2 1 371.460 3.471 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000574975680 505895341 /nfs/dbraw/zinc/89/53/41/505895341.db2.gz SLAYCTMVVZGRAB-GOSISDBHSA-N 2 1 360.546 3.248 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000237640290 497267443 /nfs/dbraw/zinc/26/74/43/497267443.db2.gz AAZUUVWLXNZLDB-FVJLSDCUSA-N 2 1 367.493 3.324 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000237640290 497267450 /nfs/dbraw/zinc/26/74/50/497267450.db2.gz AAZUUVWLXNZLDB-FVJLSDCUSA-N 2 1 367.493 3.324 20 0 FGADMP [NH3+]C1(C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000237948314 497318375 /nfs/dbraw/zinc/31/83/75/497318375.db2.gz VCYISJJWRWWBNE-INIZCTEOSA-N 2 1 369.431 3.058 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000237968860 497321227 /nfs/dbraw/zinc/32/12/27/497321227.db2.gz CBKWTBNYJBGXMO-FGZHOGPDSA-N 2 1 363.505 3.135 20 0 FGADMP [NH3+]CCCCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237972217 497321356 /nfs/dbraw/zinc/32/13/56/497321356.db2.gz SATFJCUUUOLTRG-UHFFFAOYSA-N 2 1 351.922 3.284 20 0 FGADMP [NH3+]CCCCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000237972217 497321361 /nfs/dbraw/zinc/32/13/61/497321361.db2.gz SATFJCUUUOLTRG-UHFFFAOYSA-N 2 1 351.922 3.284 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271483897 497360928 /nfs/dbraw/zinc/36/09/28/497360928.db2.gz KWYOUIRVLFLHLL-UYAOXDASSA-N 2 1 369.509 3.208 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271483897 497360931 /nfs/dbraw/zinc/36/09/31/497360931.db2.gz KWYOUIRVLFLHLL-UYAOXDASSA-N 2 1 369.509 3.208 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271483889 497360958 /nfs/dbraw/zinc/36/09/58/497360958.db2.gz KWYOUIRVLFLHLL-AZUAARDMSA-N 2 1 369.509 3.208 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271483889 497360960 /nfs/dbraw/zinc/36/09/60/497360960.db2.gz KWYOUIRVLFLHLL-AZUAARDMSA-N 2 1 369.509 3.208 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000279211250 497369455 /nfs/dbraw/zinc/36/94/55/497369455.db2.gz PDBONUZJQOWGLA-QGZVFWFLSA-N 2 1 371.525 3.220 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000245392768 497383152 /nfs/dbraw/zinc/38/31/52/497383152.db2.gz URKLHCNEROXYHH-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000245424959 497397772 /nfs/dbraw/zinc/39/77/72/497397772.db2.gz SQUPBNDXJDYLNM-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000575007558 505904446 /nfs/dbraw/zinc/90/44/46/505904446.db2.gz FAACFFQGSJHXMG-RXVVDRJESA-N 2 1 368.525 3.120 20 0 FGADMP C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261651693 497427361 /nfs/dbraw/zinc/42/73/61/497427361.db2.gz YIVBCEOZVSIFDL-UYAOXDASSA-N 2 1 357.542 3.313 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814950 497438203 /nfs/dbraw/zinc/43/82/03/497438203.db2.gz CZBTZUGGGYZAAZ-ICSRJNTNSA-N 2 1 367.541 3.187 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266897040 497440857 /nfs/dbraw/zinc/44/08/57/497440857.db2.gz FMXCSTOWBHGBCV-IRXDYDNUSA-N 2 1 367.497 3.217 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000266897040 497440864 /nfs/dbraw/zinc/44/08/64/497440864.db2.gz FMXCSTOWBHGBCV-IRXDYDNUSA-N 2 1 367.497 3.217 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)oc1C ZINC000245547666 497449446 /nfs/dbraw/zinc/44/94/46/497449446.db2.gz FEDNTYWEMXYAAO-CEWLAPEOSA-N 2 1 373.541 3.441 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261784983 497450606 /nfs/dbraw/zinc/45/06/06/497450606.db2.gz YGDVHHNEQAOGSK-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261784983 497450610 /nfs/dbraw/zinc/45/06/10/497450610.db2.gz YGDVHHNEQAOGSK-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105152 505910088 /nfs/dbraw/zinc/91/00/88/505910088.db2.gz OHFQOXMKFDYCAN-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581105152 505910090 /nfs/dbraw/zinc/91/00/90/505910090.db2.gz OHFQOXMKFDYCAN-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581105152 505910093 /nfs/dbraw/zinc/91/00/93/505910093.db2.gz OHFQOXMKFDYCAN-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)oc21 ZINC000271854467 497471310 /nfs/dbraw/zinc/47/13/10/497471310.db2.gz JDMRCZXUGYOJRG-QGTPRVQTSA-N 2 1 358.482 3.470 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)n[nH]1 ZINC000275967550 497471712 /nfs/dbraw/zinc/47/17/12/497471712.db2.gz WOOITTQRPOVMGW-UTKZUKDTSA-N 2 1 367.541 3.187 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)n[nH]1 ZINC000275967550 497471715 /nfs/dbraw/zinc/47/17/15/497471715.db2.gz WOOITTQRPOVMGW-UTKZUKDTSA-N 2 1 367.541 3.187 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245612342 497474126 /nfs/dbraw/zinc/47/41/26/497474126.db2.gz BXPHPYJJPGRYAX-ROUUACIJSA-N 2 1 358.530 3.040 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000261978467 497486511 /nfs/dbraw/zinc/48/65/11/497486511.db2.gz BVCPVCPREFWRGT-KRWDZBQOSA-N 2 1 351.494 3.187 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003774 497491588 /nfs/dbraw/zinc/49/15/88/497491588.db2.gz UJZWAEHOTHYWMP-QGZVFWFLSA-N 2 1 355.448 3.213 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003774 497491593 /nfs/dbraw/zinc/49/15/93/497491593.db2.gz UJZWAEHOTHYWMP-QGZVFWFLSA-N 2 1 355.448 3.213 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003774 497491598 /nfs/dbraw/zinc/49/15/98/497491598.db2.gz UJZWAEHOTHYWMP-QGZVFWFLSA-N 2 1 355.448 3.213 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245665337 497493808 /nfs/dbraw/zinc/49/38/08/497493808.db2.gz QWTPADNXIWIOFR-NRSPTQNISA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245665337 497493812 /nfs/dbraw/zinc/49/38/12/497493812.db2.gz QWTPADNXIWIOFR-NRSPTQNISA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245665337 497493816 /nfs/dbraw/zinc/49/38/16/497493816.db2.gz QWTPADNXIWIOFR-NRSPTQNISA-N 2 1 372.557 3.386 20 0 FGADMP Fc1cccc(Oc2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262082874 497506060 /nfs/dbraw/zinc/50/60/60/497506060.db2.gz FOKZHMVXXCHOGN-LJQANCHMSA-N 2 1 355.457 3.098 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118434 497511219 /nfs/dbraw/zinc/51/12/19/497511219.db2.gz JFGLJXHCSQJGGP-ZWKOTPCHSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118434 497511221 /nfs/dbraw/zinc/51/12/21/497511221.db2.gz JFGLJXHCSQJGGP-ZWKOTPCHSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740190 497523157 /nfs/dbraw/zinc/52/31/57/497523157.db2.gz RLFAQAZIBYGAQC-ZIBCJSCZSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740190 497523159 /nfs/dbraw/zinc/52/31/59/497523159.db2.gz RLFAQAZIBYGAQC-ZIBCJSCZSA-N 2 1 355.526 3.173 20 0 FGADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758555 497532693 /nfs/dbraw/zinc/53/26/93/497532693.db2.gz REBAGUYSHMBMAO-IBGZPJMESA-N 2 1 361.530 3.347 20 0 FGADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758555 497532697 /nfs/dbraw/zinc/53/26/97/497532697.db2.gz REBAGUYSHMBMAO-IBGZPJMESA-N 2 1 361.530 3.347 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758555 497532704 /nfs/dbraw/zinc/53/27/04/497532704.db2.gz REBAGUYSHMBMAO-IBGZPJMESA-N 2 1 361.530 3.347 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCCC(=O)OC(C)(C)C)C1 ZINC000279758555 497532708 /nfs/dbraw/zinc/53/27/08/497532708.db2.gz REBAGUYSHMBMAO-IBGZPJMESA-N 2 1 361.530 3.347 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209563 497565397 /nfs/dbraw/zinc/56/53/97/497565397.db2.gz PXQPGIXQFQDDOF-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209564 497565569 /nfs/dbraw/zinc/56/55/69/497565569.db2.gz PXQPGIXQFQDDOF-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000279860032 497567760 /nfs/dbraw/zinc/56/77/60/497567760.db2.gz SMWJTAVAQBOAOX-SSGKUCQKSA-N 2 1 369.553 3.135 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O)C1CC[NH+](C)CC1 ZINC000245923964 497572416 /nfs/dbraw/zinc/57/24/16/497572416.db2.gz HJUBYRLHBXQXTD-SIKLNZKXSA-N 2 1 359.558 3.200 20 0 FGADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1)C[C@H]1CCCOC1 ZINC000245922781 497572866 /nfs/dbraw/zinc/57/28/66/497572866.db2.gz MTWWFCJCTMITPD-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194125387 497580934 /nfs/dbraw/zinc/58/09/34/497580934.db2.gz NONOHFIJNOFBBL-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCCC1 ZINC000245954264 497583198 /nfs/dbraw/zinc/58/31/98/497583198.db2.gz LNVFIKNLDIJZCF-ZCNNSNEGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000262648872 497590751 /nfs/dbraw/zinc/59/07/51/497590751.db2.gz PSTHZMKRKNKTOS-GMQQQROESA-N 2 1 365.521 3.492 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262685382 497599546 /nfs/dbraw/zinc/59/95/46/497599546.db2.gz XRQNXYHFOUZVRI-NQIIRXRSSA-N 2 1 357.542 3.437 20 0 FGADMP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246059664 497607765 /nfs/dbraw/zinc/60/77/65/497607765.db2.gz ARHIZGAMJDZELS-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000194265377 497618204 /nfs/dbraw/zinc/61/82/04/497618204.db2.gz LXOHZRIWHLMNSV-SFHVURJKSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303680 497629531 /nfs/dbraw/zinc/62/95/31/497629531.db2.gz CTKZCFLBDUBYSO-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)[C@H](C)C1 ZINC000276745270 497642367 /nfs/dbraw/zinc/64/23/67/497642367.db2.gz GZDCQBBNKRGCMI-PBHICJAKSA-N 2 1 373.522 3.417 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557243 497662222 /nfs/dbraw/zinc/66/22/22/497662222.db2.gz TZLBUWSBPRRTBG-NQSCKRDGSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000246278437 497681370 /nfs/dbraw/zinc/68/13/70/497681370.db2.gz MHZNEGNRDOVNAB-PPQDBTBKSA-N 2 1 355.526 3.076 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3C)C2)CC1 ZINC000191066032 497697954 /nfs/dbraw/zinc/69/79/54/497697954.db2.gz IBIIFISJBRAHGF-GOSISDBHSA-N 2 1 355.448 3.226 20 0 FGADMP C[C@@]1(O)CCC[N@@H+](Cc2ccccc2C[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257135 497698196 /nfs/dbraw/zinc/69/81/96/497698196.db2.gz XLNAJYIDNMWRSG-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000246338010 497700170 /nfs/dbraw/zinc/70/01/70/497700170.db2.gz LMJAKCSICAKDOB-UHOSZYNNSA-N 2 1 364.578 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246341282 497700996 /nfs/dbraw/zinc/70/09/96/497700996.db2.gz DTAHULUFNHJSSE-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246341282 497701002 /nfs/dbraw/zinc/70/10/02/497701002.db2.gz DTAHULUFNHJSSE-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246341282 497701008 /nfs/dbraw/zinc/70/10/08/497701008.db2.gz DTAHULUFNHJSSE-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1nn(C)c2ncc(CN3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc12 ZINC000246382292 497716172 /nfs/dbraw/zinc/71/61/72/497716172.db2.gz MYEBPHONAGQKNF-SJLPKXTDSA-N 2 1 355.530 3.363 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CC[C@H]3CC[NH2+]C3)C4)n2)cc1 ZINC000581181900 505928313 /nfs/dbraw/zinc/92/83/13/505928313.db2.gz WFNGYWDOSPPZQP-HGHGUNKESA-N 2 1 352.482 3.090 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246442749 497736023 /nfs/dbraw/zinc/73/60/23/497736023.db2.gz IACXPCXCHFMIQT-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1F ZINC000246566586 497776566 /nfs/dbraw/zinc/77/65/66/497776566.db2.gz LJQZWNZCYLIHBX-VQIMIIECSA-N 2 1 369.484 3.374 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000581186291 505929707 /nfs/dbraw/zinc/92/97/07/505929707.db2.gz PMZJHEUZLPGTBG-APWZRJJASA-N 2 1 359.514 3.155 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000246812578 497812951 /nfs/dbraw/zinc/81/29/51/497812951.db2.gz AQLOFVHKKCQNFN-LVCYWYKZSA-N 2 1 360.542 3.452 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246833009 497814882 /nfs/dbraw/zinc/81/48/82/497814882.db2.gz OHEWOMSQVOCPRP-DWLFOUALSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246833009 497814884 /nfs/dbraw/zinc/81/48/84/497814884.db2.gz OHEWOMSQVOCPRP-DWLFOUALSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246833009 497814885 /nfs/dbraw/zinc/81/48/85/497814885.db2.gz OHEWOMSQVOCPRP-DWLFOUALSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246833009 497814887 /nfs/dbraw/zinc/81/48/87/497814887.db2.gz OHEWOMSQVOCPRP-DWLFOUALSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246877642 497818120 /nfs/dbraw/zinc/81/81/20/497818120.db2.gz QJRKSHDUODNYSV-QFUCXCTJSA-N 2 1 367.537 3.303 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)cc1F ZINC000364205551 497840257 /nfs/dbraw/zinc/84/02/57/497840257.db2.gz GMXAWNSPCKNQKE-UONOGXRCSA-N 2 1 361.465 3.020 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3ccccc3)CC2)CC1 ZINC000581259465 505945699 /nfs/dbraw/zinc/94/56/99/505945699.db2.gz KCHNMPDLZVVGBD-SFHVURJKSA-N 2 1 357.542 3.402 20 0 FGADMP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280824278 497912300 /nfs/dbraw/zinc/91/23/00/497912300.db2.gz KIBDGVZTYJZDEE-GOSISDBHSA-N 2 1 367.921 3.133 20 0 FGADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000575243585 505949969 /nfs/dbraw/zinc/94/99/69/505949969.db2.gz OTXOCNJJJYDMNV-MYDTUXCISA-N 2 1 365.521 3.400 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c(OC)c1 ZINC000364436527 497957133 /nfs/dbraw/zinc/95/71/33/497957133.db2.gz FQFJRUYJHQZFFY-JSFADZTLSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c(OC)c1 ZINC000364436527 497957140 /nfs/dbraw/zinc/95/71/40/497957140.db2.gz FQFJRUYJHQZFFY-JSFADZTLSA-N 2 1 362.514 3.244 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000575300659 505956264 /nfs/dbraw/zinc/95/62/64/505956264.db2.gz WVBMBLCQJBPTLE-HNNXBMFYSA-N 2 1 370.335 3.473 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C(C)(C)C)CC3)CC2)CC1 ZINC000572539986 505993197 /nfs/dbraw/zinc/99/31/97/505993197.db2.gz RBJOJMMHTFXHOO-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000575759099 505998344 /nfs/dbraw/zinc/99/83/44/505998344.db2.gz KTDJFCPNZCKBMR-PKOBYXMFSA-N 2 1 363.933 3.133 20 0 FGADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000364936136 498218133 /nfs/dbraw/zinc/21/81/33/498218133.db2.gz IXMHZIRFNXRAED-CYBMUJFWSA-N 2 1 351.388 3.388 20 0 FGADMP COC(=O)c1ccoc1CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000360776901 498306601 /nfs/dbraw/zinc/30/66/01/498306601.db2.gz HWMREBNXFCWRMM-UHFFFAOYSA-N 2 1 359.470 3.306 20 0 FGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000289841995 498319051 /nfs/dbraw/zinc/31/90/51/498319051.db2.gz AXRRRGVHWXALQX-MRXNPFEDSA-N 2 1 370.497 3.221 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000575860653 506020548 /nfs/dbraw/zinc/02/05/48/506020548.db2.gz JYHRICKYIBIMBC-QHCPKHFHSA-N 2 1 365.521 3.438 20 0 FGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)c1 ZINC000289927160 498355580 /nfs/dbraw/zinc/35/55/80/498355580.db2.gz OWIZMSHIAKENLF-UHFFFAOYSA-N 2 1 373.298 3.448 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240280 498363205 /nfs/dbraw/zinc/36/32/05/498363205.db2.gz HOASYDPZJGZDMC-UGKGYDQZSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240280 498363214 /nfs/dbraw/zinc/36/32/14/498363214.db2.gz HOASYDPZJGZDMC-UGKGYDQZSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581596978 506024135 /nfs/dbraw/zinc/02/41/35/506024135.db2.gz RJQJTUNFRGRVSV-GUDVDZBRSA-N 2 1 372.557 3.106 20 0 FGADMP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000293428122 498381739 /nfs/dbraw/zinc/38/17/39/498381739.db2.gz ODWKVWVJMNVYPO-UHFFFAOYSA-N 2 1 354.498 3.442 20 0 FGADMP Cc1noc(C2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000293428122 498381745 /nfs/dbraw/zinc/38/17/45/498381745.db2.gz ODWKVWVJMNVYPO-UHFFFAOYSA-N 2 1 354.498 3.442 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282166555 498407456 /nfs/dbraw/zinc/40/74/56/498407456.db2.gz UUTUXBVOUGLGSA-XLIONFOSSA-N 2 1 364.493 3.352 20 0 FGADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423759 498443886 /nfs/dbraw/zinc/44/38/86/498443886.db2.gz AEDSJPMHMROUJH-TZIWHRDSSA-N 2 1 373.460 3.024 20 0 FGADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423759 498443893 /nfs/dbraw/zinc/44/38/93/498443893.db2.gz AEDSJPMHMROUJH-TZIWHRDSSA-N 2 1 373.460 3.024 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000362086659 498463065 /nfs/dbraw/zinc/46/30/65/498463065.db2.gz MSICKQSBTLRCEH-UHFFFAOYSA-N 2 1 368.525 3.460 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000362086659 498463070 /nfs/dbraw/zinc/46/30/70/498463070.db2.gz MSICKQSBTLRCEH-UHFFFAOYSA-N 2 1 368.525 3.460 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000290261263 498487218 /nfs/dbraw/zinc/48/72/18/498487218.db2.gz KQWSIQBUGWNOHX-SFHVURJKSA-N 2 1 361.436 3.467 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)[nH+]1 ZINC000365523226 498511906 /nfs/dbraw/zinc/51/19/06/498511906.db2.gz FVEKOLYKTJAULA-UHFFFAOYSA-N 2 1 352.482 3.168 20 0 FGADMP C[C@H]1C[N@H+](CCSc2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000362641556 498529827 /nfs/dbraw/zinc/52/98/27/498529827.db2.gz QJACUCGJFAZCKR-INIZCTEOSA-N 2 1 351.535 3.018 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000362641556 498529832 /nfs/dbraw/zinc/52/98/32/498529832.db2.gz QJACUCGJFAZCKR-INIZCTEOSA-N 2 1 351.535 3.018 20 0 FGADMP C[C@@H]1C[N@H+](CCSc2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000362641557 498529894 /nfs/dbraw/zinc/52/98/94/498529894.db2.gz QJACUCGJFAZCKR-MRXNPFEDSA-N 2 1 351.535 3.018 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2ccccc2F)CCN1C1CC[NH+](C)CC1 ZINC000362641557 498529900 /nfs/dbraw/zinc/52/99/00/498529900.db2.gz QJACUCGJFAZCKR-MRXNPFEDSA-N 2 1 351.535 3.018 20 0 FGADMP CCN(Cc1occc1C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000569939552 506052934 /nfs/dbraw/zinc/05/29/34/506052934.db2.gz CYQLVXLOLOLALE-UHFFFAOYSA-N 2 1 361.530 3.133 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000362801522 498556142 /nfs/dbraw/zinc/55/61/42/498556142.db2.gz GSEIKMFDYJKPLE-PGRDOPGGSA-N 2 1 365.521 3.089 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000362801522 498556147 /nfs/dbraw/zinc/55/61/47/498556147.db2.gz GSEIKMFDYJKPLE-PGRDOPGGSA-N 2 1 365.521 3.089 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000303061324 498644507 /nfs/dbraw/zinc/64/45/07/498644507.db2.gz XOFQEMXJSNCCCK-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000303061324 498644514 /nfs/dbraw/zinc/64/45/14/498644514.db2.gz XOFQEMXJSNCCCK-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000303061324 498644519 /nfs/dbraw/zinc/64/45/19/498644519.db2.gz XOFQEMXJSNCCCK-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240093 498657749 /nfs/dbraw/zinc/65/77/49/498657749.db2.gz IZULLISGXOMYNB-NQIIRXRSSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000579011836 506074345 /nfs/dbraw/zinc/07/43/45/506074345.db2.gz LMZQAXQYYVJKQL-IPMKNSEASA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000579011836 506074349 /nfs/dbraw/zinc/07/43/49/506074349.db2.gz LMZQAXQYYVJKQL-IPMKNSEASA-N 2 1 353.514 3.141 20 0 FGADMP Cc1cc(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)cc(N2CCCC2)[nH+]1 ZINC000290925423 498725001 /nfs/dbraw/zinc/72/50/01/498725001.db2.gz YCUGSHPDVURGNH-UHFFFAOYSA-N 2 1 373.545 3.052 20 0 FGADMP CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311496204 498751443 /nfs/dbraw/zinc/75/14/43/498751443.db2.gz VSIYOHVPLXRUAO-NHCUHLMSSA-N 2 1 351.494 3.200 20 0 FGADMP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902125 498756354 /nfs/dbraw/zinc/75/63/54/498756354.db2.gz FYJCGCUVUFWHDX-TZIWHRDSSA-N 2 1 351.494 3.105 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000312851485 498764242 /nfs/dbraw/zinc/76/42/42/498764242.db2.gz GHHKCDAJINKJOQ-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000312851485 498764248 /nfs/dbraw/zinc/76/42/48/498764248.db2.gz GHHKCDAJINKJOQ-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000312851485 498764255 /nfs/dbraw/zinc/76/42/55/498764255.db2.gz GHHKCDAJINKJOQ-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@H+]1C ZINC000332831768 498808208 /nfs/dbraw/zinc/80/82/08/498808208.db2.gz UAKDNQHDWLFDHY-NJAFHUGGSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1C ZINC000332831768 498808215 /nfs/dbraw/zinc/80/82/15/498808215.db2.gz UAKDNQHDWLFDHY-NJAFHUGGSA-N 2 1 358.530 3.092 20 0 FGADMP Cn1cncc1CC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000298589850 498821706 /nfs/dbraw/zinc/82/17/06/498821706.db2.gz YKXMZXBDCRWNKC-OAHLLOKOSA-N 2 1 355.417 3.031 20 0 FGADMP CO[C@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221829 498821991 /nfs/dbraw/zinc/82/19/91/498821991.db2.gz SUOUCBHHSVEHSU-VQTJNVASSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221829 498821995 /nfs/dbraw/zinc/82/19/95/498821995.db2.gz SUOUCBHHSVEHSU-VQTJNVASSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221829 498822000 /nfs/dbraw/zinc/82/20/00/498822000.db2.gz SUOUCBHHSVEHSU-VQTJNVASSA-N 2 1 365.949 3.129 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000366260550 498848018 /nfs/dbraw/zinc/84/80/18/498848018.db2.gz RXYGZOYFNZZZPH-IRXDYDNUSA-N 2 1 361.917 3.161 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccnn3C(C)C)CC2)cs1 ZINC000366276438 498854274 /nfs/dbraw/zinc/85/42/74/498854274.db2.gz DGXJPJAZEICBDT-UHFFFAOYSA-N 2 1 361.559 3.485 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ncn1 ZINC000332991916 498860470 /nfs/dbraw/zinc/86/04/70/498860470.db2.gz ABWTWSXDYPNQRM-WKRCXCSHSA-N 2 1 373.545 3.013 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)[C@H]1C ZINC000366290723 498860434 /nfs/dbraw/zinc/86/04/34/498860434.db2.gz YZZQXNXFAFEPCS-SIBFUHKCSA-N 2 1 350.528 3.308 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)[C@H]1C ZINC000366290723 498860442 /nfs/dbraw/zinc/86/04/42/498860442.db2.gz YZZQXNXFAFEPCS-SIBFUHKCSA-N 2 1 350.528 3.308 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000573040870 506103863 /nfs/dbraw/zinc/10/38/63/506103863.db2.gz UVCLPPLABOMNHK-UHFFFAOYSA-N 2 1 358.467 3.028 20 0 FGADMP FC(F)Cn1cc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cn1 ZINC000366360238 498890749 /nfs/dbraw/zinc/89/07/49/498890749.db2.gz BUCSSWLNUKWODS-UHFFFAOYSA-N 2 1 366.378 3.043 20 0 FGADMP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000573093853 506117655 /nfs/dbraw/zinc/11/76/55/506117655.db2.gz UNDUHXMDFVJXKM-VSKRKVRLSA-N 2 1 369.553 3.074 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547424 498974401 /nfs/dbraw/zinc/97/44/01/498974401.db2.gz ZVWUUXNVJOPXBH-MSOLQXFVSA-N 2 1 362.518 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547424 498974407 /nfs/dbraw/zinc/97/44/07/498974407.db2.gz ZVWUUXNVJOPXBH-MSOLQXFVSA-N 2 1 362.518 3.303 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000576283375 506121270 /nfs/dbraw/zinc/12/12/70/506121270.db2.gz MSYNDKKQIVTXBA-CTNGQTDRSA-N 2 1 371.550 3.257 20 0 FGADMP Fc1ccc([C@H](NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000363829788 499014726 /nfs/dbraw/zinc/01/47/26/499014726.db2.gz TXKRSMOYKMDMID-VLCRHTCISA-N 2 1 369.484 3.401 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279091 506131524 /nfs/dbraw/zinc/13/15/24/506131524.db2.gz FHPIADBECBPRIJ-ONTIZHBOSA-N 2 1 356.510 3.111 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCO[C@@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279091 506131525 /nfs/dbraw/zinc/13/15/25/506131525.db2.gz FHPIADBECBPRIJ-ONTIZHBOSA-N 2 1 356.510 3.111 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000364075042 499108405 /nfs/dbraw/zinc/10/84/05/499108405.db2.gz IROSTQJFUYQLIF-QKYXUNIQSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000364075042 499108410 /nfs/dbraw/zinc/10/84/10/499108410.db2.gz IROSTQJFUYQLIF-QKYXUNIQSA-N 2 1 367.497 3.168 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000366996882 499131916 /nfs/dbraw/zinc/13/19/16/499131916.db2.gz KLYALCJCFHVOND-JOCHJYFZSA-N 2 1 351.494 3.048 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029918 499136155 /nfs/dbraw/zinc/13/61/55/499136155.db2.gz OGTWCDWEFHIRTM-QFBILLFUSA-N 2 1 367.990 3.390 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000367071885 499143601 /nfs/dbraw/zinc/14/36/01/499143601.db2.gz LRCWQXZBINNTDL-QGZVFWFLSA-N 2 1 371.516 3.124 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369927234 499153122 /nfs/dbraw/zinc/15/31/22/499153122.db2.gz LWKIOVHFKAZORG-YJBOKZPZSA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369927234 499153124 /nfs/dbraw/zinc/15/31/24/499153124.db2.gz LWKIOVHFKAZORG-YJBOKZPZSA-N 2 1 360.527 3.267 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000369992415 499162841 /nfs/dbraw/zinc/16/28/41/499162841.db2.gz BWSWPUFFQFVKRV-MRXNPFEDSA-N 2 1 369.513 3.273 20 0 FGADMP C[C@@H]1CCCC[C@@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370026822 499168481 /nfs/dbraw/zinc/16/84/81/499168481.db2.gz MAUWWZPWZYCVPH-XLIONFOSSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1ccc(N2CCC[C@H](c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)C2)[nH+]c1 ZINC000367295624 499175078 /nfs/dbraw/zinc/17/50/78/499175078.db2.gz RFRHMVANHBMXTK-OOKSDGMUSA-N 2 1 367.497 3.497 20 0 FGADMP Cc1ccc(N2CCC[C@H](c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)C2)[nH+]c1 ZINC000367295624 499175079 /nfs/dbraw/zinc/17/50/79/499175079.db2.gz RFRHMVANHBMXTK-OOKSDGMUSA-N 2 1 367.497 3.497 20 0 FGADMP CN(C)C(=O)Sc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370253131 499202289 /nfs/dbraw/zinc/20/22/89/499202289.db2.gz VPDAPSAYIWWJLF-NEWSRXKRSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370253131 499202291 /nfs/dbraw/zinc/20/22/91/499202291.db2.gz VPDAPSAYIWWJLF-NEWSRXKRSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370253131 499202292 /nfs/dbraw/zinc/20/22/92/499202292.db2.gz VPDAPSAYIWWJLF-NEWSRXKRSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370253131 499202294 /nfs/dbraw/zinc/20/22/94/499202294.db2.gz VPDAPSAYIWWJLF-NEWSRXKRSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370253131 499202296 /nfs/dbraw/zinc/20/22/96/499202296.db2.gz VPDAPSAYIWWJLF-NEWSRXKRSA-N 2 1 359.539 3.376 20 0 FGADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000367474701 499203606 /nfs/dbraw/zinc/20/36/06/499203606.db2.gz NTJGNCWJLODBHV-UHFFFAOYSA-N 2 1 372.488 3.291 20 0 FGADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000367474701 499203607 /nfs/dbraw/zinc/20/36/07/499203607.db2.gz NTJGNCWJLODBHV-UHFFFAOYSA-N 2 1 372.488 3.291 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300512 499207220 /nfs/dbraw/zinc/20/72/20/499207220.db2.gz XBCHRKOGDIARNY-SFTDATJTSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300512 499207222 /nfs/dbraw/zinc/20/72/22/499207222.db2.gz XBCHRKOGDIARNY-SFTDATJTSA-N 2 1 358.526 3.216 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000367532557 499209857 /nfs/dbraw/zinc/20/98/57/499209857.db2.gz BOGIESDWKMGZTB-HKBOAZHASA-N 2 1 364.493 3.296 20 0 FGADMP C[N@@H+](Cc1cnc(C(C)(C)C)nc1)C1CCN(Cc2ccncc2)CC1 ZINC000367673438 499223586 /nfs/dbraw/zinc/22/35/86/499223586.db2.gz UGXHMRQUUGTDLL-UHFFFAOYSA-N 2 1 353.514 3.266 20 0 FGADMP CN(Cc1cnc(C(C)(C)C)nc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000367673438 499223587 /nfs/dbraw/zinc/22/35/87/499223587.db2.gz UGXHMRQUUGTDLL-UHFFFAOYSA-N 2 1 353.514 3.266 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000367697112 499225668 /nfs/dbraw/zinc/22/56/68/499225668.db2.gz BQPBNDZNLCCRNR-CYBMUJFWSA-N 2 1 350.260 3.181 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669909 499242517 /nfs/dbraw/zinc/24/25/17/499242517.db2.gz SMEUEGXOUSSFTP-NQIIRXRSSA-N 3 1 352.526 3.262 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669909 499242518 /nfs/dbraw/zinc/24/25/18/499242518.db2.gz SMEUEGXOUSSFTP-NQIIRXRSSA-N 3 1 352.526 3.262 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000370671211 499242699 /nfs/dbraw/zinc/24/26/99/499242699.db2.gz OMRBPXPFNBASDS-NDXORKPFSA-N 2 1 350.510 3.143 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000370671211 499242701 /nfs/dbraw/zinc/24/27/01/499242701.db2.gz OMRBPXPFNBASDS-NDXORKPFSA-N 2 1 350.510 3.143 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC000370677641 499243392 /nfs/dbraw/zinc/24/33/92/499243392.db2.gz OVZRRWOZSPQQDN-UNMCSNQZSA-N 2 1 363.505 3.095 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H](C2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000370718967 499247985 /nfs/dbraw/zinc/24/79/85/499247985.db2.gz HNMQEKDOPSXQPU-HXUWFJFHSA-N 2 1 371.569 3.466 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000370763383 499252391 /nfs/dbraw/zinc/25/23/91/499252391.db2.gz KANMKXICPVYXIT-VWPQPMDRSA-N 2 1 355.526 3.019 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000367999479 499253422 /nfs/dbraw/zinc/25/34/22/499253422.db2.gz UYKZVRIQIBBSKD-GBESFXJTSA-N 2 1 357.498 3.256 20 0 FGADMP CC(C)C[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368147449 499269109 /nfs/dbraw/zinc/26/91/09/499269109.db2.gz KBYHLEBVAPPZSM-SFHVURJKSA-N 2 1 351.579 3.323 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247491 499277932 /nfs/dbraw/zinc/27/79/32/499277932.db2.gz ZXYQSBKGIRVFAE-CZYKHXBRSA-N 2 1 365.606 3.054 20 0 FGADMP CC(C)C[C@H](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371083292 499287005 /nfs/dbraw/zinc/28/70/05/499287005.db2.gz AXCYUIUOPRHMRQ-SFHVURJKSA-N 2 1 351.579 3.371 20 0 FGADMP CCS[C@@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000371095760 499288178 /nfs/dbraw/zinc/28/81/78/499288178.db2.gz XKALPASLKIYJMO-LJQANCHMSA-N 2 1 369.619 3.077 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000368354097 499288261 /nfs/dbraw/zinc/28/82/61/499288261.db2.gz HDMAHMOTHJUPCW-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000368354097 499288263 /nfs/dbraw/zinc/28/82/63/499288263.db2.gz HDMAHMOTHJUPCW-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354097 499288264 /nfs/dbraw/zinc/28/82/64/499288264.db2.gz HDMAHMOTHJUPCW-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354097 499288265 /nfs/dbraw/zinc/28/82/65/499288265.db2.gz HDMAHMOTHJUPCW-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP CC(C)n1ccnc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371155375 499293886 /nfs/dbraw/zinc/29/38/86/499293886.db2.gz HRWJPESZTCDBDP-UHFFFAOYSA-N 2 1 361.578 3.092 20 0 FGADMP CC(C)n1ccnc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371155375 499293888 /nfs/dbraw/zinc/29/38/88/499293888.db2.gz HRWJPESZTCDBDP-UHFFFAOYSA-N 2 1 361.578 3.092 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265747 499304003 /nfs/dbraw/zinc/30/40/03/499304003.db2.gz DUPCRYAOGGBPAG-HZPDHXFCSA-N 2 1 353.913 3.500 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265747 499304005 /nfs/dbraw/zinc/30/40/05/499304005.db2.gz DUPCRYAOGGBPAG-HZPDHXFCSA-N 2 1 353.913 3.500 20 0 FGADMP CCc1ccc2c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc(=O)oc2c1 ZINC000371289071 499306303 /nfs/dbraw/zinc/30/63/03/499306303.db2.gz HLQJXUPKTFJOIQ-YFVAEKQCSA-N 2 1 370.493 3.039 20 0 FGADMP CCc1ccc2c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc(=O)oc2c1 ZINC000371289071 499306305 /nfs/dbraw/zinc/30/63/05/499306305.db2.gz HLQJXUPKTFJOIQ-YFVAEKQCSA-N 2 1 370.493 3.039 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368584255 499310486 /nfs/dbraw/zinc/31/04/86/499310486.db2.gz VUWHJROGFUPOSN-SWLSCSKDSA-N 2 1 365.524 3.033 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368584255 499310487 /nfs/dbraw/zinc/31/04/87/499310487.db2.gz VUWHJROGFUPOSN-SWLSCSKDSA-N 2 1 365.524 3.033 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000368784606 499332453 /nfs/dbraw/zinc/33/24/53/499332453.db2.gz OGPSSMIFCAJQRO-OAHLLOKOSA-N 2 1 369.962 3.214 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985874 499387246 /nfs/dbraw/zinc/38/72/46/499387246.db2.gz WNRCFBJEIIKGFZ-PTUXOGIPSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985874 499387247 /nfs/dbraw/zinc/38/72/47/499387247.db2.gz WNRCFBJEIIKGFZ-PTUXOGIPSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314664 499390847 /nfs/dbraw/zinc/39/08/47/499390847.db2.gz CVAWZGKUGSNMGK-YTQUADARSA-N 2 1 358.530 3.042 20 0 FGADMP C[C@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372234386 499411443 /nfs/dbraw/zinc/41/14/43/499411443.db2.gz YCMDHUPDPDAHJU-ICSRJNTNSA-N 3 1 352.526 3.262 20 0 FGADMP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372234388 499411568 /nfs/dbraw/zinc/41/15/68/499411568.db2.gz YCMDHUPDPDAHJU-UYAOXDASSA-N 3 1 352.526 3.262 20 0 FGADMP CCN(CC)[C@H](CNC(=O)NC[C@@H]1CCCn2cc(C)nc21)c1ccco1 ZINC000372238635 499411769 /nfs/dbraw/zinc/41/17/69/499411769.db2.gz NLBMPQOUAVRXCD-DLBZAZTESA-N 2 1 373.501 3.044 20 0 FGADMP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373306498 499462635 /nfs/dbraw/zinc/46/26/35/499462635.db2.gz WRILCUNUEPWYIL-RHSMWYFYSA-N 2 1 362.568 3.456 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373306498 499462636 /nfs/dbraw/zinc/46/26/36/499462636.db2.gz WRILCUNUEPWYIL-RHSMWYFYSA-N 2 1 362.568 3.456 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000373380086 499466445 /nfs/dbraw/zinc/46/64/45/499466445.db2.gz YXZKAPUWCZQQFI-NRFANRHFSA-N 2 1 369.553 3.374 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000375395988 499513552 /nfs/dbraw/zinc/51/35/52/499513552.db2.gz ZDMPUFIUSXQREB-UHFFFAOYSA-N 2 1 352.482 3.135 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000378494592 499524037 /nfs/dbraw/zinc/52/40/37/499524037.db2.gz KTSOKIZMTIYZTP-MLZLACJZSA-N 2 1 352.563 3.449 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000378494592 499524038 /nfs/dbraw/zinc/52/40/38/499524038.db2.gz KTSOKIZMTIYZTP-MLZLACJZSA-N 2 1 352.563 3.449 20 0 FGADMP C[C@H]1CC(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@H](C)C1 ZINC000378543947 499530265 /nfs/dbraw/zinc/53/02/65/499530265.db2.gz KTCWOPDIRJXTBE-QZTJIDSGSA-N 2 1 363.590 3.371 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654829 499542811 /nfs/dbraw/zinc/54/28/11/499542811.db2.gz KCESAEXKOSOUFG-DUXKGJEZSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654829 499542814 /nfs/dbraw/zinc/54/28/14/499542814.db2.gz KCESAEXKOSOUFG-DUXKGJEZSA-N 2 1 372.484 3.208 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705804 499547113 /nfs/dbraw/zinc/54/71/13/499547113.db2.gz FGVLAWACRBHFAL-FGZHOGPDSA-N 2 1 368.521 3.155 20 0 FGADMP NC(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000388443041 499550838 /nfs/dbraw/zinc/55/08/38/499550838.db2.gz ZPAHXBSXGRTECV-FQEVSTJZSA-N 2 1 351.494 3.177 20 0 FGADMP NC(=O)c1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000388443041 499550840 /nfs/dbraw/zinc/55/08/40/499550840.db2.gz ZPAHXBSXGRTECV-FQEVSTJZSA-N 2 1 351.494 3.177 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000579334918 506149792 /nfs/dbraw/zinc/14/97/92/506149792.db2.gz BAVFNXJUCSXUGF-RTBURBONSA-N 2 1 372.538 3.027 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375836547 499560449 /nfs/dbraw/zinc/56/04/49/499560449.db2.gz CUNHXLPARYOAKU-QGZVFWFLSA-N 2 1 353.388 3.202 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000398058011 499565977 /nfs/dbraw/zinc/56/59/77/499565977.db2.gz LSSNWVPQLIDJLZ-QMMLZNLJSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062425 499566466 /nfs/dbraw/zinc/56/64/66/499566466.db2.gz MUBRXCRTUPZJKK-UYAOXDASSA-N 2 1 357.542 3.313 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000375993715 499574513 /nfs/dbraw/zinc/57/45/13/499574513.db2.gz JHHNCAIAVLZAKJ-QFIPXVFZSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000408132482 499577617 /nfs/dbraw/zinc/57/76/17/499577617.db2.gz KAWBFBRNIUTTFE-OKZBNKHCSA-N 2 1 358.530 3.092 20 0 FGADMP Cc1cccc(N2CCC([NH2+]Cc3cn(-c4ccccc4C)nn3)CC2)[nH+]1 ZINC000377346792 499681809 /nfs/dbraw/zinc/68/18/09/499681809.db2.gz PSNOXHGQTVXINR-UHFFFAOYSA-N 2 1 362.481 3.038 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377670910 499717781 /nfs/dbraw/zinc/71/77/81/499717781.db2.gz OQYCXKBMXTYADS-MSOLQXFVSA-N 2 1 350.869 3.409 20 0 FGADMP CCN1CC[N@@H+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ncc[nH]1 ZINC000377699674 499721900 /nfs/dbraw/zinc/72/19/00/499721900.db2.gz QMYXQRNMQMMUCS-OXJNMPFZSA-N 2 1 364.497 3.344 20 0 FGADMP CCN1CC[N@H+]([C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1c1ncc[nH]1 ZINC000377699674 499721902 /nfs/dbraw/zinc/72/19/02/499721902.db2.gz QMYXQRNMQMMUCS-OXJNMPFZSA-N 2 1 364.497 3.344 20 0 FGADMP COc1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1OC ZINC000377710969 499723659 /nfs/dbraw/zinc/72/36/59/499723659.db2.gz YLUPYERWBXQOLN-UHFFFAOYSA-N 2 1 371.481 3.208 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758680 499729573 /nfs/dbraw/zinc/72/95/73/499729573.db2.gz CXQXZJCIHZOKDM-UGKGYDQZSA-N 2 1 361.493 3.265 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc3ccccc3o1)C2 ZINC000377822835 499738805 /nfs/dbraw/zinc/73/88/05/499738805.db2.gz CSPKHCVMPSQMMG-ZOBUZTSGSA-N 2 1 366.465 3.108 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838665 499740777 /nfs/dbraw/zinc/74/07/77/499740777.db2.gz AZBLTGSDTNDPNI-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838665 499740779 /nfs/dbraw/zinc/74/07/79/499740779.db2.gz AZBLTGSDTNDPNI-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000377838665 499740781 /nfs/dbraw/zinc/74/07/81/499740781.db2.gz AZBLTGSDTNDPNI-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000579369717 506158177 /nfs/dbraw/zinc/15/81/77/506158177.db2.gz LALMCPXGOFTNPP-IAGOWNOFSA-N 2 1 354.281 3.250 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000579369717 506158179 /nfs/dbraw/zinc/15/81/79/506158179.db2.gz LALMCPXGOFTNPP-IAGOWNOFSA-N 2 1 354.281 3.250 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000414182518 499766636 /nfs/dbraw/zinc/76/66/36/499766636.db2.gz NIWLLCUXYARJLG-HARLFGEKSA-N 2 1 368.521 3.271 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411634480 499771243 /nfs/dbraw/zinc/77/12/43/499771243.db2.gz LDILFHBJTPKFME-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000414257623 499771907 /nfs/dbraw/zinc/77/19/07/499771907.db2.gz FLPQFFFVQFWSLI-YUMYIRISSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@@H]1CCOC ZINC000414257623 499771909 /nfs/dbraw/zinc/77/19/09/499771909.db2.gz FLPQFFFVQFWSLI-YUMYIRISSA-N 2 1 360.542 3.318 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411638260 499771961 /nfs/dbraw/zinc/77/19/61/499771961.db2.gz ZTMQFOLIFMJDJH-OALUTQOASA-N 2 1 360.546 3.339 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000411638260 499771963 /nfs/dbraw/zinc/77/19/63/499771963.db2.gz ZTMQFOLIFMJDJH-OALUTQOASA-N 2 1 360.546 3.339 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414289676 499774632 /nfs/dbraw/zinc/77/46/32/499774632.db2.gz RUQHSYCYSYIIHP-QGZVFWFLSA-N 2 1 355.530 3.150 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000414294446 499775057 /nfs/dbraw/zinc/77/50/57/499775057.db2.gz QCGWPUPVBUZUGQ-JFJDKTSWSA-N 2 1 368.496 3.402 20 0 FGADMP C[C@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411734015 499784348 /nfs/dbraw/zinc/78/43/48/499784348.db2.gz HIURPIDNCMMELV-OAHLLOKOSA-N 2 1 367.488 3.308 20 0 FGADMP O=C([C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)N1CCCC1 ZINC000411739203 499784934 /nfs/dbraw/zinc/78/49/34/499784934.db2.gz MYVWCFMOGUEQPU-OAQYLSRUSA-N 2 1 355.526 3.117 20 0 FGADMP CCN1CCN(CC(C)(C)[NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411812442 499793392 /nfs/dbraw/zinc/79/33/92/499793392.db2.gz YAHSSMRUXXBVFK-UHFFFAOYSA-N 2 1 372.601 3.178 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414521508 499802586 /nfs/dbraw/zinc/80/25/86/499802586.db2.gz BYZNXYPNKWFKFA-NHCUHLMSSA-N 2 1 370.541 3.265 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000414521508 499802589 /nfs/dbraw/zinc/80/25/89/499802589.db2.gz BYZNXYPNKWFKFA-NHCUHLMSSA-N 2 1 370.541 3.265 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706107 499821626 /nfs/dbraw/zinc/82/16/26/499821626.db2.gz OLAAOGFVUVIEPW-LPHOPBHVSA-N 2 1 363.933 3.454 20 0 FGADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414729906 499824053 /nfs/dbraw/zinc/82/40/53/499824053.db2.gz GBTWGHAQMKRRMB-KBPBESRZSA-N 2 1 357.420 3.354 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737975 499825108 /nfs/dbraw/zinc/82/51/08/499825108.db2.gz OREXHOWDKIAFLB-ZIAGYGMSSA-N 2 1 368.319 3.016 20 0 FGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414771741 499829134 /nfs/dbraw/zinc/82/91/34/499829134.db2.gz AIXFKOZWQPDDJD-UONOGXRCSA-N 2 1 353.304 3.279 20 0 FGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774751 499829531 /nfs/dbraw/zinc/82/95/31/499829531.db2.gz FWMCRUZNMQABHF-WOJBJXKFSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)sc1Br ZINC000414775236 499829631 /nfs/dbraw/zinc/82/96/31/499829631.db2.gz GICSUWJNTYZCEF-GFCCVEGCSA-N 2 1 359.333 3.006 20 0 FGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)sc1Br ZINC000414775236 499829633 /nfs/dbraw/zinc/82/96/33/499829633.db2.gz GICSUWJNTYZCEF-GFCCVEGCSA-N 2 1 359.333 3.006 20 0 FGADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414778914 499830280 /nfs/dbraw/zinc/83/02/80/499830280.db2.gz JOFAFAJWUPXKPW-RTBURBONSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(OC(F)F)cc1C ZINC000414781644 499830464 /nfs/dbraw/zinc/83/04/64/499830464.db2.gz NJASQPLTRXSNTI-MRXNPFEDSA-N 2 1 354.441 3.092 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](CN)C4CC4)cc3)nc12 ZINC000414794133 499831908 /nfs/dbraw/zinc/83/19/08/499831908.db2.gz FGSDFPHEVFGQRK-FQEVSTJZSA-N 2 1 350.466 3.049 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@@H](C[NH3+])C4CC4)cc3)nc12 ZINC000414794133 499831909 /nfs/dbraw/zinc/83/19/09/499831909.db2.gz FGSDFPHEVFGQRK-FQEVSTJZSA-N 2 1 350.466 3.049 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819039 499834314 /nfs/dbraw/zinc/83/43/14/499834314.db2.gz XQNHUGJCZLCTNI-SWLSCSKDSA-N 2 1 356.308 3.273 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]CC3([NH3+])CCCCC3)cnc12 ZINC000414833319 499835523 /nfs/dbraw/zinc/83/55/23/499835523.db2.gz ADVHAHIFMDTDRN-UHFFFAOYSA-N 2 1 351.292 3.156 20 0 FGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855894 499838160 /nfs/dbraw/zinc/83/81/60/499838160.db2.gz XUXPBVKEKWLHFQ-IUODEOHRSA-N 2 1 356.308 3.129 20 0 FGADMP C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000414900040 499843085 /nfs/dbraw/zinc/84/30/85/499843085.db2.gz CZZZAADEHZUJRC-IEBWSBKVSA-N 2 1 352.906 3.377 20 0 FGADMP COCCOc1ccccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414997359 499853133 /nfs/dbraw/zinc/85/31/33/499853133.db2.gz HFWFRVAGYRNZFQ-PZJWPPBQSA-N 2 1 372.484 3.334 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccc3c2OCCCO3)cc1 ZINC000415009431 499854560 /nfs/dbraw/zinc/85/45/60/499854560.db2.gz UCEATCWBOQJMEG-QUCCMNQESA-N 2 1 370.468 3.470 20 0 FGADMP c1nc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)sc1-c1ccccc1 ZINC000415045319 499857497 /nfs/dbraw/zinc/85/74/97/499857497.db2.gz BMUCIIHTMLBVPP-UHFFFAOYSA-N 2 1 356.539 3.116 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063161 499859915 /nfs/dbraw/zinc/85/99/15/499859915.db2.gz GXETYASQTKCRPW-BLLLJJGKSA-N 2 1 353.894 3.173 20 0 FGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061927 499860090 /nfs/dbraw/zinc/86/00/90/499860090.db2.gz ZELNKFZRUWRIOO-UHFFFAOYSA-N 2 1 373.875 3.247 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065886 499860201 /nfs/dbraw/zinc/86/02/01/499860201.db2.gz NXHJKXNDLIERJS-KSSFIOAISA-N 2 1 351.922 3.184 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCC[NH2+]C3CC3)c2)cc1 ZINC000415067726 499860303 /nfs/dbraw/zinc/86/03/03/499860303.db2.gz LFXVQANBJVTOAW-UHFFFAOYSA-N 2 1 353.466 3.179 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000415100442 499863429 /nfs/dbraw/zinc/86/34/29/499863429.db2.gz AHWKUJHORSBTQI-UKRRQHHQSA-N 2 1 359.333 3.229 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101890 499863669 /nfs/dbraw/zinc/86/36/69/499863669.db2.gz BUHQDQOOQYTXNK-HIFRSBDPSA-N 2 1 360.420 3.443 20 0 FGADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415101327 499863714 /nfs/dbraw/zinc/86/37/14/499863714.db2.gz HRDWPSDWAVUPFQ-WIYYLYMNSA-N 2 1 372.557 3.073 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1Cl ZINC000415882933 499923944 /nfs/dbraw/zinc/92/39/44/499923944.db2.gz MMQYCPCHEJQZAV-LJQANCHMSA-N 2 1 372.900 3.410 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415973118 499935920 /nfs/dbraw/zinc/93/59/20/499935920.db2.gz NTGVLCNOJDDPFC-UZLBHIALSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415979606 499936902 /nfs/dbraw/zinc/93/69/02/499936902.db2.gz DTCFKCOEYYGFDT-OXQOHEQNSA-N 2 1 352.482 3.048 20 0 FGADMP C[C@@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000415997303 499939170 /nfs/dbraw/zinc/93/91/70/499939170.db2.gz OVPAXYIFSJSKOQ-INIZCTEOSA-N 2 1 352.482 3.322 20 0 FGADMP O=C(CC[NH2+]C1CC1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000582251082 506169157 /nfs/dbraw/zinc/16/91/57/506169157.db2.gz KXUAZPHISISGEK-UHFFFAOYSA-N 2 1 370.324 3.216 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425017525 499995469 /nfs/dbraw/zinc/99/54/69/499995469.db2.gz ZDIFNURPOGGSOY-PKOBYXMFSA-N 2 1 369.534 3.156 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425017525 499995471 /nfs/dbraw/zinc/99/54/71/499995471.db2.gz ZDIFNURPOGGSOY-PKOBYXMFSA-N 2 1 369.534 3.156 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000417217522 500008039 /nfs/dbraw/zinc/00/80/39/500008039.db2.gz DKFDXLBEEPSRLG-FIKGOQFSSA-N 2 1 366.509 3.341 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417256441 500020293 /nfs/dbraw/zinc/02/02/93/500020293.db2.gz SDSOELNZQCFGQQ-AJYBTWMASA-N 2 1 360.546 3.132 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000421373688 500030619 /nfs/dbraw/zinc/03/06/19/500030619.db2.gz MWMNZHZFWJFWAM-UHFFFAOYSA-N 2 1 364.603 3.433 20 0 FGADMP COC1([C@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000421397011 500036956 /nfs/dbraw/zinc/03/69/56/500036956.db2.gz CMEHKKUYWOLWOB-KRWDZBQOSA-N 2 1 364.505 3.006 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286687 500043509 /nfs/dbraw/zinc/04/35/09/500043509.db2.gz KFEBPNRCRBMNIL-RDJZCZTQSA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286687 500043512 /nfs/dbraw/zinc/04/35/12/500043512.db2.gz KFEBPNRCRBMNIL-RDJZCZTQSA-N 2 1 367.331 3.117 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417388848 500057458 /nfs/dbraw/zinc/05/74/58/500057458.db2.gz WNAVUCKDDXZRJZ-AZUAARDMSA-N 2 1 360.542 3.054 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000417396340 500059644 /nfs/dbraw/zinc/05/96/44/500059644.db2.gz FXOUJURWKZIVFX-INIZCTEOSA-N 2 1 354.498 3.157 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000417399394 500061248 /nfs/dbraw/zinc/06/12/48/500061248.db2.gz ZMZFDIBFPWYAQZ-HAGHYFMRSA-N 2 1 363.496 3.359 20 0 FGADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000417736850 500160246 /nfs/dbraw/zinc/16/02/46/500160246.db2.gz MZBQGOIHUVRLJG-IBGZPJMESA-N 2 1 372.513 3.084 20 0 FGADMP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417736850 500160250 /nfs/dbraw/zinc/16/02/50/500160250.db2.gz MZBQGOIHUVRLJG-IBGZPJMESA-N 2 1 372.513 3.084 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1=O ZINC000421848857 500163217 /nfs/dbraw/zinc/16/32/17/500163217.db2.gz AQEPIGTWLBCWDG-DXBBTUNJSA-N 2 1 369.553 3.278 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000416967092 500168770 /nfs/dbraw/zinc/16/87/70/500168770.db2.gz GTGNUIZOSHDRSR-GHTZIAJQSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968528 500169645 /nfs/dbraw/zinc/16/96/45/500169645.db2.gz JJGHAKHADSRNJK-LQWHRVPQSA-N 2 1 372.557 3.330 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CC[NH2+]C1 ZINC000416985039 500175582 /nfs/dbraw/zinc/17/55/82/500175582.db2.gz YJBONBJTOYRJQI-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H](CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000417806598 500175601 /nfs/dbraw/zinc/17/56/01/500175601.db2.gz BGNXGZKMXORUTM-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000417806599 500175935 /nfs/dbraw/zinc/17/59/35/500175935.db2.gz BGNXGZKMXORUTM-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000430026141 500182286 /nfs/dbraw/zinc/18/22/86/500182286.db2.gz BHNRPMNHMKUBEX-SFHVURJKSA-N 2 1 356.514 3.339 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000430026141 500182290 /nfs/dbraw/zinc/18/22/90/500182290.db2.gz BHNRPMNHMKUBEX-SFHVURJKSA-N 2 1 356.514 3.339 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000417009096 500182958 /nfs/dbraw/zinc/18/29/58/500182958.db2.gz XIWPCNRIEKVLKK-HDICACEKSA-N 2 1 374.573 3.291 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369247 506181288 /nfs/dbraw/zinc/18/12/88/506181288.db2.gz ADDVDBDAVQXSCV-YLJYHZDGSA-N 2 1 357.542 3.071 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000417881819 500190769 /nfs/dbraw/zinc/19/07/69/500190769.db2.gz RJDMRPJPULENAR-RXVVDRJESA-N 2 1 374.573 3.496 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417902505 500195394 /nfs/dbraw/zinc/19/53/94/500195394.db2.gz PNCIXHYQQXJUNX-FQEVSTJZSA-N 2 1 365.521 3.043 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417902505 500195398 /nfs/dbraw/zinc/19/53/98/500195398.db2.gz PNCIXHYQQXJUNX-FQEVSTJZSA-N 2 1 365.521 3.043 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417923206 500198946 /nfs/dbraw/zinc/19/89/46/500198946.db2.gz KLMYVWYJJSJPFT-DFQSSKMNSA-N 2 1 360.546 3.104 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425950061 500215651 /nfs/dbraw/zinc/21/56/51/500215651.db2.gz IRIVXZBTDZGXCO-BHDDXSALSA-N 2 1 372.553 3.320 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000430400159 500235691 /nfs/dbraw/zinc/23/56/91/500235691.db2.gz MQSFSQNMJKFUAY-FUPPJEDESA-N 2 1 369.553 3.231 20 0 FGADMP CC[C@H](C)CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000422222203 500236845 /nfs/dbraw/zinc/23/68/45/500236845.db2.gz DJKVDBQEQIRNEP-UHOSZYNNSA-N 2 1 352.567 3.011 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427358 500239461 /nfs/dbraw/zinc/23/94/61/500239461.db2.gz PLQHUBZTBBJVFJ-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427358 500239464 /nfs/dbraw/zinc/23/94/64/500239464.db2.gz PLQHUBZTBBJVFJ-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572650 500256390 /nfs/dbraw/zinc/25/63/90/500256390.db2.gz PZQKGJMKJFVHPM-YUXAGFNASA-N 2 1 365.521 3.146 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572650 500256393 /nfs/dbraw/zinc/25/63/93/500256393.db2.gz PZQKGJMKJFVHPM-YUXAGFNASA-N 2 1 365.521 3.146 20 0 FGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)[C@@H]2COc3ccccc3O2)CC1 ZINC000426305048 500258851 /nfs/dbraw/zinc/25/88/51/500258851.db2.gz BEWHVSSSDAMYOH-KNQAVFIVSA-N 2 1 370.468 3.261 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000430587712 500259074 /nfs/dbraw/zinc/25/90/74/500259074.db2.gz ACASZGQXQKHLLI-HNNXBMFYSA-N 2 1 356.308 3.083 20 0 FGADMP CCN(C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418356152 500267390 /nfs/dbraw/zinc/26/73/90/500267390.db2.gz XLHQOSQMYAYQNF-VURPSTOHSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418355398 500267844 /nfs/dbraw/zinc/26/78/44/500267844.db2.gz BKEMAOPBRKTFES-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422823 500271357 /nfs/dbraw/zinc/27/13/57/500271357.db2.gz YCCSFSBOQXDYSX-KXBFYZLASA-N 2 1 358.555 3.063 20 0 FGADMP Cc1nc2ccc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2s1 ZINC000426422823 500271358 /nfs/dbraw/zinc/27/13/58/500271358.db2.gz YCCSFSBOQXDYSX-KXBFYZLASA-N 2 1 358.555 3.063 20 0 FGADMP [NH3+]C1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708185 500273032 /nfs/dbraw/zinc/27/30/32/500273032.db2.gz RTKCPXVHJZTNLY-OAQYLSRUSA-N 2 1 355.526 3.163 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC([NH3+])(CC)CC ZINC000418425235 500274789 /nfs/dbraw/zinc/27/47/89/500274789.db2.gz JFFGQCZNJBRJAB-LJQANCHMSA-N 2 1 360.546 3.058 20 0 FGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000422564878 500275109 /nfs/dbraw/zinc/27/51/09/500275109.db2.gz WWBYRHNLGNNDAV-ZWOKBUDYSA-N 2 1 369.509 3.474 20 0 FGADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418430058 500275286 /nfs/dbraw/zinc/27/52/86/500275286.db2.gz UFTPFEJZZTZGQQ-HKUYNNGSSA-N 2 1 352.567 3.046 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418461326 500279264 /nfs/dbraw/zinc/27/92/64/500279264.db2.gz LPVCCFAXVJWLSJ-SFHVURJKSA-N 2 1 366.509 3.042 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C)C1 ZINC000418486400 500282464 /nfs/dbraw/zinc/28/24/64/500282464.db2.gz JJUBWVKXYYCWEQ-CZAAIQMYSA-N 2 1 368.525 3.211 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@H](C[NH3+])[C@@H](C)C[C@H]3C)n2)cc1F ZINC000422641647 500285159 /nfs/dbraw/zinc/28/51/59/500285159.db2.gz YETDHZWQKPNBKH-UXLLHSPISA-N 2 1 360.477 3.422 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422697151 500286846 /nfs/dbraw/zinc/28/68/46/500286846.db2.gz UAPVKYWCIKYTQK-MOPGFXCFSA-N 3 1 363.546 3.165 20 0 FGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422726124 500290856 /nfs/dbraw/zinc/29/08/56/500290856.db2.gz DCVAVZXMLZELNG-PMACEKPBSA-N 2 1 367.497 3.153 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422726127 500291014 /nfs/dbraw/zinc/29/10/14/500291014.db2.gz DCVAVZXMLZELNG-WOJBJXKFSA-N 2 1 367.497 3.153 20 0 FGADMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746963 500293655 /nfs/dbraw/zinc/29/36/55/500293655.db2.gz XSPXGTPYSXPREL-DNVJHFABSA-N 2 1 371.569 3.044 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418612764 500296662 /nfs/dbraw/zinc/29/66/62/500296662.db2.gz VYJGGFNEHVTSCS-CEWLAPEOSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418669298 500304633 /nfs/dbraw/zinc/30/46/33/500304633.db2.gz HYUWILFBGYZNBB-KNQAVFIVSA-N 2 1 372.557 3.202 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418678506 500306786 /nfs/dbraw/zinc/30/67/86/500306786.db2.gz VPBXJQOPMRCUHH-AZUAARDMSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422874810 500308821 /nfs/dbraw/zinc/30/88/21/500308821.db2.gz DGFHINUXFQRWBU-HGSOSGBHSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422874810 500308824 /nfs/dbraw/zinc/30/88/24/500308824.db2.gz DGFHINUXFQRWBU-HGSOSGBHSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422874810 500308827 /nfs/dbraw/zinc/30/88/27/500308827.db2.gz DGFHINUXFQRWBU-HGSOSGBHSA-N 2 1 371.569 3.308 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CCOCC1 ZINC000422896280 500312452 /nfs/dbraw/zinc/31/24/52/500312452.db2.gz ICUNWEPDUHPGOU-INIZCTEOSA-N 2 1 355.482 3.210 20 0 FGADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422930420 500318202 /nfs/dbraw/zinc/31/82/02/500318202.db2.gz UHOYGYBCCAHDHJ-HZPDHXFCSA-N 2 1 370.497 3.201 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422930419 500318552 /nfs/dbraw/zinc/31/85/52/500318552.db2.gz UHOYGYBCCAHDHJ-HOTGVXAUSA-N 2 1 370.497 3.201 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000431060885 500329994 /nfs/dbraw/zinc/32/99/94/500329994.db2.gz HEZPZEHFQJITEI-PZBISTMVSA-N 2 1 351.494 3.274 20 0 FGADMP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423008217 500330229 /nfs/dbraw/zinc/33/02/29/500330229.db2.gz ZKULJPYAILEGHA-RCCFBDPRSA-N 2 1 352.544 3.139 20 0 FGADMP C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423013717 500330821 /nfs/dbraw/zinc/33/08/21/500330821.db2.gz NKBIIZYDSLGFHR-MFKMUULPSA-N 2 1 351.800 3.253 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](CC)c1ccccc1OCC)C1CC[NH2+]CC1 ZINC000431073915 500332147 /nfs/dbraw/zinc/33/21/47/500332147.db2.gz NSVSMFPXFJLSQA-LJQANCHMSA-N 2 1 361.530 3.117 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](CC)c1ccccc1OCC)C1CC[NH2+]CC1 ZINC000431073915 500332148 /nfs/dbraw/zinc/33/21/48/500332148.db2.gz NSVSMFPXFJLSQA-LJQANCHMSA-N 2 1 361.530 3.117 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889246 500333477 /nfs/dbraw/zinc/33/34/77/500333477.db2.gz LWKCIJHLLBQGDU-DUXKGJEZSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889246 500333480 /nfs/dbraw/zinc/33/34/80/500333480.db2.gz LWKCIJHLLBQGDU-DUXKGJEZSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889246 500333483 /nfs/dbraw/zinc/33/34/83/500333483.db2.gz LWKCIJHLLBQGDU-DUXKGJEZSA-N 2 1 355.526 3.125 20 0 FGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423086900 500340440 /nfs/dbraw/zinc/34/04/40/500340440.db2.gz MWIVCLYFICMBHZ-TVQRCGJNSA-N 2 1 364.658 3.162 20 0 FGADMP CC[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127567 500345813 /nfs/dbraw/zinc/34/58/13/500345813.db2.gz CCKWTZKFFOLJIJ-BDTNDASRSA-N 3 1 371.569 3.035 20 0 FGADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127653 500346097 /nfs/dbraw/zinc/34/60/97/500346097.db2.gz CGTQQNWQFLFDLL-ILWGZMRPSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423169141 500350370 /nfs/dbraw/zinc/35/03/70/500350370.db2.gz ZGBLMFAGFIERFF-ZVZYQTTQSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423175822 500351597 /nfs/dbraw/zinc/35/15/97/500351597.db2.gz FGJQQSJDYVVARO-KBXCAEBGSA-N 2 1 366.347 3.144 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423190539 500353510 /nfs/dbraw/zinc/35/35/10/500353510.db2.gz SAIRUQLSFGNMPB-HGSOSGBHSA-N 2 1 365.521 3.258 20 0 FGADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193649 500354315 /nfs/dbraw/zinc/35/43/15/500354315.db2.gz XQBZQXMFECZEQZ-OAQYLSRUSA-N 2 1 361.493 3.414 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000427135211 500357636 /nfs/dbraw/zinc/35/76/36/500357636.db2.gz IBGBVYCZVPDBEG-GDBMZVCRSA-N 2 1 350.388 3.075 20 0 FGADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423281325 500361313 /nfs/dbraw/zinc/36/13/13/500361313.db2.gz UGRYNTBLURFXTM-XPTSAGLGSA-N 2 1 363.811 3.403 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000423362376 500367647 /nfs/dbraw/zinc/36/76/47/500367647.db2.gz SXHZLCOEDJCDKC-HKUYNNGSSA-N 2 1 351.494 3.001 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H](C)[NH3+] ZINC000423396096 500370146 /nfs/dbraw/zinc/37/01/46/500370146.db2.gz RGXDUJVUONNUIN-KAGYGMCKSA-N 2 1 357.542 3.121 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277637 500376791 /nfs/dbraw/zinc/37/67/91/500376791.db2.gz YNXHYJFCEGMIJQ-OALUTQOASA-N 2 1 357.542 3.315 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423518759 500381914 /nfs/dbraw/zinc/38/19/14/500381914.db2.gz PHVXOJULZBRTIR-ODIFPOPNSA-N 2 1 371.447 3.452 20 0 FGADMP CN1CC[NH2+]C[C@H]1C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423526901 500382104 /nfs/dbraw/zinc/38/21/04/500382104.db2.gz VGSWXOZIIFDMTH-UYJHFMRCSA-N 2 1 355.448 3.225 20 0 FGADMP Fc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)nc1 ZINC000423525272 500382238 /nfs/dbraw/zinc/38/22/38/500382238.db2.gz YAJAOKBNUQWUNA-AOMIVXANSA-N 2 1 368.500 3.116 20 0 FGADMP CN1CC[NH2+]C[C@@H]1C[NH2+]C1CCC(c2cccc(C(F)(F)F)c2)CC1 ZINC000423526894 500382480 /nfs/dbraw/zinc/38/24/80/500382480.db2.gz VGSWXOZIIFDMTH-IUPXNIOVSA-N 2 1 355.448 3.225 20 0 FGADMP [NH3+]C1(C[NH2+]C2CCN(CCC(F)(F)F)CC2)C2CC3CC(C2)CC1C3 ZINC000423531780 500382946 /nfs/dbraw/zinc/38/29/46/500382946.db2.gz UFJFWZNXSFMZTM-UHFFFAOYSA-N 2 1 359.480 3.146 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423769506 500400350 /nfs/dbraw/zinc/40/03/50/500400350.db2.gz CJXZIJUDZSPSBZ-DUXKGJEZSA-N 2 1 365.521 3.349 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000431639520 500401473 /nfs/dbraw/zinc/40/14/73/500401473.db2.gz XZIUUOHJRMIROO-RTWAWAEBSA-N 2 1 351.494 3.195 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000431639520 500401474 /nfs/dbraw/zinc/40/14/74/500401474.db2.gz XZIUUOHJRMIROO-RTWAWAEBSA-N 2 1 351.494 3.195 20 0 FGADMP C[C@H](CC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878449 500415285 /nfs/dbraw/zinc/41/52/85/500415285.db2.gz UMYCWVUEOMQPBS-LVCYWYKZSA-N 2 1 357.542 3.039 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423898315 500417263 /nfs/dbraw/zinc/41/72/63/500417263.db2.gz IEJUKOSECBRXFA-ACRUOGEOSA-N 2 1 355.526 3.032 20 0 FGADMP CC[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423961105 500424980 /nfs/dbraw/zinc/42/49/80/500424980.db2.gz DLECGYWTCIKQQP-RTWAWAEBSA-N 2 1 353.510 3.493 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H](C)C[C@H]3C[NH3+])c2c1C ZINC000420268777 500431234 /nfs/dbraw/zinc/43/12/34/500431234.db2.gz ZLCUVKKMQBLASR-BBRMVZONSA-N 2 1 373.570 3.468 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431852934 500434437 /nfs/dbraw/zinc/43/44/37/500434437.db2.gz CEIJEPHYIODHLW-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431852934 500434441 /nfs/dbraw/zinc/43/44/41/500434441.db2.gz CEIJEPHYIODHLW-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431852934 500434444 /nfs/dbraw/zinc/43/44/44/500434444.db2.gz CEIJEPHYIODHLW-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302545 500437510 /nfs/dbraw/zinc/43/75/10/500437510.db2.gz MOMSUPLVGUHOHZ-HKUYNNGSSA-N 2 1 354.450 3.303 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306460 500438429 /nfs/dbraw/zinc/43/84/29/500438429.db2.gz LBBTYRGJEJVCNS-TZMCWYRMSA-N 2 1 361.287 3.075 20 0 FGADMP C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000420321902 500440473 /nfs/dbraw/zinc/44/04/73/500440473.db2.gz VZFIKAHCLDKURI-PXNSSMCTSA-N 2 1 357.523 3.013 20 0 FGADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000420321902 500440478 /nfs/dbraw/zinc/44/04/78/500440478.db2.gz VZFIKAHCLDKURI-PXNSSMCTSA-N 2 1 357.523 3.013 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317831 500440700 /nfs/dbraw/zinc/44/07/00/500440700.db2.gz NGHGNKGDWREZMC-TZIWHRDSSA-N 2 1 353.510 3.338 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324629 500441750 /nfs/dbraw/zinc/44/17/50/500441750.db2.gz HLAUOAOGWDZMQS-ZJPYXAASSA-N 2 1 361.555 3.122 20 0 FGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328391 500442341 /nfs/dbraw/zinc/44/23/41/500442341.db2.gz MJHTXSGDJJKYEW-DZGCQCFKSA-N 2 1 353.304 3.197 20 0 FGADMP O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330549 500442490 /nfs/dbraw/zinc/44/24/90/500442490.db2.gz AUQXNJFNIZRBCA-HBMCJLEFSA-N 2 1 355.526 3.062 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344435 500445398 /nfs/dbraw/zinc/44/53/98/500445398.db2.gz SXPVTJPAZCAWTO-MCIONIFRSA-N 2 1 353.869 3.128 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346982 500446096 /nfs/dbraw/zinc/44/60/96/500446096.db2.gz ZPJSQQMSTAYQJI-RTBURBONSA-N 2 1 351.494 3.490 20 0 FGADMP COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC[C@H]1CC[NH2+]C1 ZINC000420358541 500446936 /nfs/dbraw/zinc/44/69/36/500446936.db2.gz JKPSPCHQZYAXNL-CYBMUJFWSA-N 2 1 359.297 3.011 20 0 FGADMP COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)CC[C@H]1CC[NH2+]C1 ZINC000420358541 500446937 /nfs/dbraw/zinc/44/69/37/500446937.db2.gz JKPSPCHQZYAXNL-CYBMUJFWSA-N 2 1 359.297 3.011 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373710 500450037 /nfs/dbraw/zinc/45/00/37/500450037.db2.gz MXYKRJNDFRPDFU-OALUTQOASA-N 2 1 364.493 3.252 20 0 FGADMP [NH3+]C[C@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)C1CCCCC1 ZINC000420379696 500451938 /nfs/dbraw/zinc/45/19/38/500451938.db2.gz XZIXHSIQYYTQMM-IBGZPJMESA-N 2 1 356.518 3.008 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)cs2)o1 ZINC000420389955 500453266 /nfs/dbraw/zinc/45/32/66/500453266.db2.gz MSZTUVBZHUTQDA-CRAIPNDOSA-N 2 1 361.511 3.430 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000420393740 500454963 /nfs/dbraw/zinc/45/49/63/500454963.db2.gz QWYHLBKVTIOSLM-SJLPKXTDSA-N 2 1 351.560 3.450 20 0 FGADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000424296837 500483599 /nfs/dbraw/zinc/48/35/99/500483599.db2.gz SJBMSTRCAKDXRP-DLBZAZTESA-N 2 1 361.505 3.199 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302407 500483754 /nfs/dbraw/zinc/48/37/54/500483754.db2.gz ZJXNTOCTCXAUKB-SJORKVTESA-N 2 1 369.509 3.416 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856053 500516522 /nfs/dbraw/zinc/51/65/22/500516522.db2.gz CHFAXSOYKVTFOL-WOJBJXKFSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000420856053 500516523 /nfs/dbraw/zinc/51/65/23/500516523.db2.gz CHFAXSOYKVTFOL-WOJBJXKFSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000420856053 500516525 /nfs/dbraw/zinc/51/65/25/500516525.db2.gz CHFAXSOYKVTFOL-WOJBJXKFSA-N 2 1 372.557 3.023 20 0 FGADMP CCn1nccc1C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420968306 500543293 /nfs/dbraw/zinc/54/32/93/500543293.db2.gz VYBPGNPYMHQJKQ-UHFFFAOYSA-N 2 1 368.525 3.115 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000428690809 500544281 /nfs/dbraw/zinc/54/42/81/500544281.db2.gz LSJCOUKOOUOOAF-TZIWHRDSSA-N 2 1 374.573 3.489 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984868 500549109 /nfs/dbraw/zinc/54/91/09/500549109.db2.gz UYUZTEGFIMYTRS-FPOVZHCZSA-N 2 1 351.579 3.074 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC[C@H](F)C1 ZINC000424716192 500549171 /nfs/dbraw/zinc/54/91/71/500549171.db2.gz VEOGMVVQVYZROV-OALUTQOASA-N 2 1 367.553 3.169 20 0 FGADMP COC1(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CCOCC1 ZINC000428848836 500565446 /nfs/dbraw/zinc/56/54/46/500565446.db2.gz KAQDDFNZGJQABJ-KDURUIRLSA-N 2 1 360.542 3.450 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)CC[N@H+]1C ZINC000442593977 500602589 /nfs/dbraw/zinc/60/25/89/500602589.db2.gz KAZLKAZFSRWKIN-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761799 500622100 /nfs/dbraw/zinc/62/21/00/500622100.db2.gz YTFCPKVRZVSYBJ-AOIWGVFYSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761799 500622102 /nfs/dbraw/zinc/62/21/02/500622102.db2.gz YTFCPKVRZVSYBJ-AOIWGVFYSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767478 500622651 /nfs/dbraw/zinc/62/26/51/500622651.db2.gz QVVZFQGEFWPFHV-AEFFLSMTSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767478 500622652 /nfs/dbraw/zinc/62/26/52/500622652.db2.gz QVVZFQGEFWPFHV-AEFFLSMTSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766327 500622846 /nfs/dbraw/zinc/62/28/46/500622846.db2.gz NZZOAMLMZLXSRN-IGCXYCKISA-N 2 1 370.324 3.326 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766327 500622850 /nfs/dbraw/zinc/62/28/50/500622850.db2.gz NZZOAMLMZLXSRN-IGCXYCKISA-N 2 1 370.324 3.326 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433126196 500631712 /nfs/dbraw/zinc/63/17/12/500631712.db2.gz NKFBHMGPRSXPQP-FQEVSTJZSA-N 2 1 369.553 3.376 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(OC(F)(F)F)cc32)CC1(C)C ZINC000442868805 500637009 /nfs/dbraw/zinc/63/70/09/500637009.db2.gz CZAPWXUDJVXEJV-QGZVFWFLSA-N 2 1 371.447 3.188 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)c(F)c1 ZINC000442872223 500637079 /nfs/dbraw/zinc/63/70/79/500637079.db2.gz HXAINLBEHPIZDU-ZDUSSCGKSA-N 2 1 372.326 3.265 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575775 500662750 /nfs/dbraw/zinc/66/27/50/500662750.db2.gz BGMBAAOITOSVFS-IEBWSBKVSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575775 500662751 /nfs/dbraw/zinc/66/27/51/500662751.db2.gz BGMBAAOITOSVFS-IEBWSBKVSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575775 500662754 /nfs/dbraw/zinc/66/27/54/500662754.db2.gz BGMBAAOITOSVFS-IEBWSBKVSA-N 2 1 370.459 3.273 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000443058996 500671746 /nfs/dbraw/zinc/67/17/46/500671746.db2.gz LMSANWXENQZTPA-SNVBAGLBSA-N 2 1 371.304 3.121 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000443058996 500671749 /nfs/dbraw/zinc/67/17/49/500671749.db2.gz LMSANWXENQZTPA-SNVBAGLBSA-N 2 1 371.304 3.121 20 0 FGADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](CCc4ccccc4)C3)o2)n[nH]1 ZINC000433326605 500673198 /nfs/dbraw/zinc/67/31/98/500673198.db2.gz OLBDKHSQCVJWSC-SFHVURJKSA-N 2 1 350.466 3.324 20 0 FGADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)o2)n[nH]1 ZINC000433326605 500673204 /nfs/dbraw/zinc/67/32/04/500673204.db2.gz OLBDKHSQCVJWSC-SFHVURJKSA-N 2 1 350.466 3.324 20 0 FGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000448449117 500761146 /nfs/dbraw/zinc/76/11/46/500761146.db2.gz PCUIHGFLEWTQNI-UEXGIBASSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449117 500761147 /nfs/dbraw/zinc/76/11/47/500761147.db2.gz PCUIHGFLEWTQNI-UEXGIBASSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000448449117 500761148 /nfs/dbraw/zinc/76/11/48/500761148.db2.gz PCUIHGFLEWTQNI-UEXGIBASSA-N 2 1 359.558 3.116 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468112 500762342 /nfs/dbraw/zinc/76/23/42/500762342.db2.gz UAMWYAGBCUVOAE-JYRKZWEQSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468112 500762343 /nfs/dbraw/zinc/76/23/43/500762343.db2.gz UAMWYAGBCUVOAE-JYRKZWEQSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468112 500762345 /nfs/dbraw/zinc/76/23/45/500762345.db2.gz UAMWYAGBCUVOAE-JYRKZWEQSA-N 2 1 372.557 3.194 20 0 FGADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000570718677 506215080 /nfs/dbraw/zinc/21/50/80/506215080.db2.gz COKXRGCKGBYKOR-AOCRQIFASA-N 2 1 371.525 3.304 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000570718677 506215081 /nfs/dbraw/zinc/21/50/81/506215081.db2.gz COKXRGCKGBYKOR-AOCRQIFASA-N 2 1 371.525 3.304 20 0 FGADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)c(OCc2cccnc2)c1 ZINC000443996695 500789622 /nfs/dbraw/zinc/78/96/22/500789622.db2.gz ZEUJURXXTJYBSM-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434348018 500829631 /nfs/dbraw/zinc/82/96/31/500829631.db2.gz CXVJSNWVLCKYJQ-FXAWDEMLSA-N 2 1 372.557 3.432 20 0 FGADMP CCOc1ccccc1OCC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434750114 500889007 /nfs/dbraw/zinc/88/90/07/500889007.db2.gz XXURAODOLMEJRH-UGKGYDQZSA-N 2 1 369.509 3.484 20 0 FGADMP CC(C)[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444751408 500892225 /nfs/dbraw/zinc/89/22/25/500892225.db2.gz OXNIXHBZEMUCPC-NRFANRHFSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccnn3C3CCCC3)CC2)C[C@H](C)O1 ZINC000449021862 500900309 /nfs/dbraw/zinc/90/03/09/500900309.db2.gz VXPWFARMHUNXCO-HDICACEKSA-N 2 1 360.546 3.319 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccnn3C3CCCC3)CC2)C[C@H](C)O1 ZINC000449021862 500900312 /nfs/dbraw/zinc/90/03/12/500900312.db2.gz VXPWFARMHUNXCO-HDICACEKSA-N 2 1 360.546 3.319 20 0 FGADMP COc1cccc2c(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cccc12 ZINC000449036099 500907369 /nfs/dbraw/zinc/90/73/69/500907369.db2.gz ITDSQXBZDHQPNQ-XMSQKQJNSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@H](C[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081922 500920485 /nfs/dbraw/zinc/92/04/85/500920485.db2.gz IYXSIDSKFGQRCG-UZLBHIALSA-N 2 1 366.571 3.294 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449094387 500923286 /nfs/dbraw/zinc/92/32/86/500923286.db2.gz RNFAQOPGRAAYOO-XLIONFOSSA-N 2 1 350.934 3.488 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000449116597 500929023 /nfs/dbraw/zinc/92/90/23/500929023.db2.gz QABQLIBEKVADCF-UFYCRDLUSA-N 2 1 371.569 3.461 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000449129964 500931177 /nfs/dbraw/zinc/93/11/77/500931177.db2.gz DYFOQGMUPLVNMH-UHFFFAOYSA-N 2 1 355.526 3.212 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000449131703 500931945 /nfs/dbraw/zinc/93/19/45/500931945.db2.gz OYUZWZWWRXCOPF-QGZVFWFLSA-N 2 1 374.550 3.435 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2c3ccccc3C[C@H]2O)CC1 ZINC000449188723 500943949 /nfs/dbraw/zinc/94/39/49/500943949.db2.gz OETNXGKMXOHTSR-NLSFWIRASA-N 2 1 350.506 3.330 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897721 500952726 /nfs/dbraw/zinc/95/27/26/500952726.db2.gz HQCDVLFKNLSXKD-YJBOKZPZSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897721 500952728 /nfs/dbraw/zinc/95/27/28/500952728.db2.gz HQCDVLFKNLSXKD-YJBOKZPZSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000439897721 500952732 /nfs/dbraw/zinc/95/27/32/500952732.db2.gz HQCDVLFKNLSXKD-YJBOKZPZSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000439897721 500952735 /nfs/dbraw/zinc/95/27/35/500952735.db2.gz HQCDVLFKNLSXKD-YJBOKZPZSA-N 2 1 361.555 3.018 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267439 500961783 /nfs/dbraw/zinc/96/17/83/500961783.db2.gz ZJWXLXMSOUITJF-QTGUNEKASA-N 2 1 374.569 3.238 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000435373377 500962414 /nfs/dbraw/zinc/96/24/14/500962414.db2.gz MXQZLOGTJLXSRK-PKOBYXMFSA-N 2 1 364.493 3.391 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H]([NH3+])[C@H](C)C4)cc3)nc12 ZINC000435376683 500963188 /nfs/dbraw/zinc/96/31/88/500963188.db2.gz SYNKWYHXXOCMAK-UTKZUKDTSA-N 2 1 364.493 3.391 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000435398677 500968241 /nfs/dbraw/zinc/96/82/41/500968241.db2.gz QLKNUTFQZXVVLF-LJQANCHMSA-N 2 1 355.482 3.101 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000435398677 500968243 /nfs/dbraw/zinc/96/82/43/500968243.db2.gz QLKNUTFQZXVVLF-LJQANCHMSA-N 2 1 355.482 3.101 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000449336020 500981248 /nfs/dbraw/zinc/98/12/48/500981248.db2.gz LNNYJAIDSCZYIP-GOSISDBHSA-N 2 1 366.553 3.484 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000440181226 500985204 /nfs/dbraw/zinc/98/52/04/500985204.db2.gz CCQCUQNSOVUKKL-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364937 500987535 /nfs/dbraw/zinc/98/75/35/500987535.db2.gz UKZNWJHZADQPKM-VOQZNFBZSA-N 2 1 356.485 3.372 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440263811 500992337 /nfs/dbraw/zinc/99/23/37/500992337.db2.gz GEIFEWNSTDVOAM-IRLDBZIGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440263811 500992338 /nfs/dbraw/zinc/99/23/38/500992338.db2.gz GEIFEWNSTDVOAM-IRLDBZIGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440263811 500992339 /nfs/dbraw/zinc/99/23/39/500992339.db2.gz GEIFEWNSTDVOAM-IRLDBZIGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000435696463 501013673 /nfs/dbraw/zinc/01/36/73/501013673.db2.gz PWHFPNQEGTYEMK-GOSISDBHSA-N 2 1 363.571 3.338 20 0 FGADMP CC(C)N(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)C(C)C ZINC000435696463 501013677 /nfs/dbraw/zinc/01/36/77/501013677.db2.gz PWHFPNQEGTYEMK-GOSISDBHSA-N 2 1 363.571 3.338 20 0 FGADMP C[C@H](C[S@](C)=O)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602608069 506229498 /nfs/dbraw/zinc/22/94/98/506229498.db2.gz LSDVJTREPINVDV-YQOVMPOYSA-N 2 1 350.572 3.281 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497478 501018416 /nfs/dbraw/zinc/01/84/16/501018416.db2.gz KMNWIHUOTRKDFL-FQEVSTJZSA-N 2 1 351.579 3.181 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497478 501018419 /nfs/dbraw/zinc/01/84/19/501018419.db2.gz KMNWIHUOTRKDFL-FQEVSTJZSA-N 2 1 351.579 3.181 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497478 501018421 /nfs/dbraw/zinc/01/84/21/501018421.db2.gz KMNWIHUOTRKDFL-FQEVSTJZSA-N 2 1 351.579 3.181 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497478 501018423 /nfs/dbraw/zinc/01/84/23/501018423.db2.gz KMNWIHUOTRKDFL-FQEVSTJZSA-N 2 1 351.579 3.181 20 0 FGADMP CCCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502041 501019689 /nfs/dbraw/zinc/01/96/89/501019689.db2.gz OINQPYLTXRIINE-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502041 501019693 /nfs/dbraw/zinc/01/96/93/501019693.db2.gz OINQPYLTXRIINE-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502041 501019696 /nfs/dbraw/zinc/01/96/96/501019696.db2.gz OINQPYLTXRIINE-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502041 501019700 /nfs/dbraw/zinc/01/97/00/501019700.db2.gz OINQPYLTXRIINE-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504130 501019832 /nfs/dbraw/zinc/01/98/32/501019832.db2.gz QBZROGUGPHMXRF-OWFGXHLJSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504130 501019836 /nfs/dbraw/zinc/01/98/36/501019836.db2.gz QBZROGUGPHMXRF-OWFGXHLJSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504130 501019839 /nfs/dbraw/zinc/01/98/39/501019839.db2.gz QBZROGUGPHMXRF-OWFGXHLJSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C/C(C)=C\c3ccccc3)C2)CC1 ZINC000449504130 501019843 /nfs/dbraw/zinc/01/98/43/501019843.db2.gz QBZROGUGPHMXRF-OWFGXHLJSA-N 2 1 369.553 3.356 20 0 FGADMP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449505356 501020038 /nfs/dbraw/zinc/02/00/38/501020038.db2.gz BBBHLNDOYHOKQA-UXHICEINSA-N 2 1 362.489 3.154 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511443 501021903 /nfs/dbraw/zinc/02/19/03/501021903.db2.gz YPSDMEKTGZRQJD-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511443 501021904 /nfs/dbraw/zinc/02/19/04/501021904.db2.gz YPSDMEKTGZRQJD-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511443 501021905 /nfs/dbraw/zinc/02/19/05/501021905.db2.gz YPSDMEKTGZRQJD-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511443 501021906 /nfs/dbraw/zinc/02/19/06/501021906.db2.gz YPSDMEKTGZRQJD-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CCN1CCC([N@@H+](C)CCOc2cc(F)cc(Br)c2)CC1 ZINC000445815165 501036256 /nfs/dbraw/zinc/03/62/56/501036256.db2.gz HLIBQGZDQCXAHB-UHFFFAOYSA-N 2 1 359.283 3.383 20 0 FGADMP CC[NH+]1CCC(N(C)CCOc2cc(F)cc(Br)c2)CC1 ZINC000445815165 501036259 /nfs/dbraw/zinc/03/62/59/501036259.db2.gz HLIBQGZDQCXAHB-UHFFFAOYSA-N 2 1 359.283 3.383 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCOc2cc(F)cc(Br)c2)CC1 ZINC000445815165 501036261 /nfs/dbraw/zinc/03/62/61/501036261.db2.gz HLIBQGZDQCXAHB-UHFFFAOYSA-N 2 1 359.283 3.383 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCOc2cc(F)cc(Br)c2)CC1 ZINC000445815165 501036264 /nfs/dbraw/zinc/03/62/64/501036264.db2.gz HLIBQGZDQCXAHB-UHFFFAOYSA-N 2 1 359.283 3.383 20 0 FGADMP c1nnc([C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2)[nH]1 ZINC000449667306 501055854 /nfs/dbraw/zinc/05/58/54/501055854.db2.gz IPKPWWVBTVXTGB-NRFANRHFSA-N 2 1 361.493 3.191 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC(C)(C)C3(O)CCCC3)sc2C1 ZINC000449740371 501072275 /nfs/dbraw/zinc/07/22/75/501072275.db2.gz OSLLLRGMCLIUKE-UHFFFAOYSA-N 2 1 351.560 3.331 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC(C)(C)C3(O)CCCC3)sc2C1 ZINC000449740371 501072277 /nfs/dbraw/zinc/07/22/77/501072277.db2.gz OSLLLRGMCLIUKE-UHFFFAOYSA-N 2 1 351.560 3.331 20 0 FGADMP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000449756226 501077539 /nfs/dbraw/zinc/07/75/39/501077539.db2.gz OYVXRZBDSKVLSI-ZSYWTGECSA-N 2 1 367.459 3.233 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1)[C@@H](CO)C(C)(C)C ZINC000441064997 501082441 /nfs/dbraw/zinc/08/24/41/501082441.db2.gz IXPODNOKLGWNJW-PMACEKPBSA-N 2 1 364.574 3.364 20 0 FGADMP COC[C@@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449781713 501085758 /nfs/dbraw/zinc/08/57/58/501085758.db2.gz XQWVAYZAEUBMBE-LJQANCHMSA-N 2 1 359.558 3.466 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000436297240 501103126 /nfs/dbraw/zinc/10/31/26/501103126.db2.gz VBZODSUQAFXROX-UHFFFAOYSA-N 2 1 358.461 3.151 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441245639 501108588 /nfs/dbraw/zinc/10/85/88/501108588.db2.gz NFYKZYXOMSOPMJ-IOMROCGXSA-N 2 1 362.514 3.038 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441245639 501108589 /nfs/dbraw/zinc/10/85/89/501108589.db2.gz NFYKZYXOMSOPMJ-IOMROCGXSA-N 2 1 362.514 3.038 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253102 501109189 /nfs/dbraw/zinc/10/91/89/501109189.db2.gz XGMBUJAAFYNQDR-KBAYOESNSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253102 501109192 /nfs/dbraw/zinc/10/91/92/501109192.db2.gz XGMBUJAAFYNQDR-KBAYOESNSA-N 2 1 372.431 3.268 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1)Cc1ccccc1 ZINC000450392033 501109851 /nfs/dbraw/zinc/10/98/51/501109851.db2.gz MVZRKGPUHUMBRV-LJQANCHMSA-N 2 1 351.485 3.171 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1cccc2ccccc21 ZINC000441260064 501109931 /nfs/dbraw/zinc/10/99/31/501109931.db2.gz FKUPLLGMJBIPHZ-UZKOGDIHSA-N 2 1 354.494 3.402 20 0 FGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441375113 501129568 /nfs/dbraw/zinc/12/95/68/501129568.db2.gz APYJKHMAJILCSP-UHFFFAOYSA-N 2 1 360.329 3.118 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1)CC(C)C ZINC000446618406 501142104 /nfs/dbraw/zinc/14/21/04/501142104.db2.gz VDHCRXIOAASLOZ-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3ccnc4ccsc43)C2)CC1 ZINC000450774225 501205626 /nfs/dbraw/zinc/20/56/26/501205626.db2.gz NUBNUMCIVQLGEC-KRWDZBQOSA-N 2 1 372.538 3.067 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc[nH+]c4ccsc43)C2)CC1 ZINC000450774225 501205629 /nfs/dbraw/zinc/20/56/29/501205629.db2.gz NUBNUMCIVQLGEC-KRWDZBQOSA-N 2 1 372.538 3.067 20 0 FGADMP OCC[NH+](Cc1cc(Cl)cc(C[N@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000450824363 501214151 /nfs/dbraw/zinc/21/41/51/501214151.db2.gz DXRXXXRTYGWLQT-UHFFFAOYSA-N 2 1 366.933 3.034 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000451056028 501242412 /nfs/dbraw/zinc/24/24/12/501242412.db2.gz NLCJWGYFVOZTTD-NRFANRHFSA-N 2 1 357.542 3.204 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H](c3ccccc3)[C@H]2C)CC1 ZINC000451179112 501250320 /nfs/dbraw/zinc/25/03/20/501250320.db2.gz CKWOTIGVTWGVID-DBXWQHBBSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1[nH+]ccn1CC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000457622769 501269940 /nfs/dbraw/zinc/26/99/40/501269940.db2.gz QTCVLCGDHUOQOT-UHFFFAOYSA-N 2 1 366.509 3.239 20 0 FGADMP Cc1[nH+]ccn1CC(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000457622769 501269942 /nfs/dbraw/zinc/26/99/42/501269942.db2.gz QTCVLCGDHUOQOT-UHFFFAOYSA-N 2 1 366.509 3.239 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160801 501281857 /nfs/dbraw/zinc/28/18/57/501281857.db2.gz IANIGVVBJCDPIG-UEXGIBASSA-N 2 1 368.525 3.127 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)(F)F ZINC000453165139 501282675 /nfs/dbraw/zinc/28/26/75/501282675.db2.gz AYWSDXRCCICYDY-MLHJIOFPSA-N 2 1 356.432 3.333 20 0 FGADMP CCc1ccc(CC[N@H+]2CCC[C@H](CN3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537690 501316640 /nfs/dbraw/zinc/31/66/40/501316640.db2.gz RTDGIGXZIZVZCR-QHCPKHFHSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537690 501316643 /nfs/dbraw/zinc/31/66/43/501316643.db2.gz RTDGIGXZIZVZCR-QHCPKHFHSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537690 501316646 /nfs/dbraw/zinc/31/66/46/501316646.db2.gz RTDGIGXZIZVZCR-QHCPKHFHSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537690 501316649 /nfs/dbraw/zinc/31/66/49/501316649.db2.gz RTDGIGXZIZVZCR-QHCPKHFHSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccc(CC[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000451537690 501316651 /nfs/dbraw/zinc/31/66/51/501316651.db2.gz RTDGIGXZIZVZCR-QHCPKHFHSA-N 2 1 371.569 3.058 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000453361087 501320295 /nfs/dbraw/zinc/32/02/95/501320295.db2.gz QGTGXOKUTMKJAM-NRDMVMEKSA-N 2 1 361.530 3.028 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000453452360 501335501 /nfs/dbraw/zinc/33/55/01/501335501.db2.gz SCJVJHLGNYRXJT-NNMXDRDESA-N 2 1 371.569 3.367 20 0 FGADMP C[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455912458 501413924 /nfs/dbraw/zinc/41/39/24/501413924.db2.gz JOIYXPMSQZHHCK-JXXFODFXSA-N 2 1 358.530 3.477 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373648 501429999 /nfs/dbraw/zinc/42/99/99/501429999.db2.gz IVOUPEILNNHVAI-RXVVDRJESA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000458373648 501430000 /nfs/dbraw/zinc/43/00/00/501430000.db2.gz IVOUPEILNNHVAI-RXVVDRJESA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000458373648 501430002 /nfs/dbraw/zinc/43/00/02/501430002.db2.gz IVOUPEILNNHVAI-RXVVDRJESA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000458438895 501444751 /nfs/dbraw/zinc/44/47/51/501444751.db2.gz ZUCFVVAMSPWXOO-LJQANCHMSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000458481500 501454432 /nfs/dbraw/zinc/45/44/32/501454432.db2.gz DADXPDMJFQDFKR-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000458495522 501458706 /nfs/dbraw/zinc/45/87/06/501458706.db2.gz MNFOHXSFVMMHPQ-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495522 501458709 /nfs/dbraw/zinc/45/87/09/501458709.db2.gz MNFOHXSFVMMHPQ-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495522 501458711 /nfs/dbraw/zinc/45/87/11/501458711.db2.gz MNFOHXSFVMMHPQ-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456320013 501497058 /nfs/dbraw/zinc/49/70/58/501497058.db2.gz CALBINGQTQRGOK-IBGZPJMESA-N 2 1 365.521 3.342 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000456374360 501511679 /nfs/dbraw/zinc/51/16/79/501511679.db2.gz JBRPXFAASZNOHM-QGZVFWFLSA-N 2 1 354.498 3.247 20 0 FGADMP CC[C@@H]1CN(CC)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000456374360 501511682 /nfs/dbraw/zinc/51/16/82/501511682.db2.gz JBRPXFAASZNOHM-QGZVFWFLSA-N 2 1 354.498 3.247 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000458759395 501524542 /nfs/dbraw/zinc/52/45/42/501524542.db2.gz GHOYKTJVUDVVIU-PXNSSMCTSA-N 2 1 360.546 3.160 20 0 FGADMP C[C@H](CCNC(=O)NC1CC[NH+](C2CCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000454591699 501586457 /nfs/dbraw/zinc/58/64/57/501586457.db2.gz HZABMCYRHPZHRG-GOSISDBHSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C2 ZINC000456740298 501590866 /nfs/dbraw/zinc/59/08/66/501590866.db2.gz YTBRSBCIGQHGIW-KRWDZBQOSA-N 2 1 360.546 3.113 20 0 FGADMP CC(C)OC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017191 501602033 /nfs/dbraw/zinc/60/20/33/501602033.db2.gz MSKUJJQPIKZQAF-FCHUYYIVSA-N 2 1 374.569 3.395 20 0 FGADMP CSC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027473 501603995 /nfs/dbraw/zinc/60/39/95/501603995.db2.gz VMWKMDSTFJYLSJ-WOJBJXKFSA-N 2 1 362.583 3.333 20 0 FGADMP Cc1cc(C)c(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000454960848 501662205 /nfs/dbraw/zinc/66/22/05/501662205.db2.gz MLFVZIIXJKQQPC-YLJYHZDGSA-N 2 1 352.482 3.161 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@H]21)CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686187 501699057 /nfs/dbraw/zinc/69/90/57/501699057.db2.gz VKZDBIQCMMHEHV-NCYKPQTJSA-N 2 1 374.569 3.159 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459686187 501699058 /nfs/dbraw/zinc/69/90/58/501699058.db2.gz VKZDBIQCMMHEHV-NCYKPQTJSA-N 2 1 374.569 3.159 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459686187 501699060 /nfs/dbraw/zinc/69/90/60/501699060.db2.gz VKZDBIQCMMHEHV-NCYKPQTJSA-N 2 1 374.569 3.159 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457427 501701924 /nfs/dbraw/zinc/70/19/24/501701924.db2.gz NQTKMAIVSPVTHG-AZUAARDMSA-N 2 1 360.546 3.101 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457447 501702140 /nfs/dbraw/zinc/70/21/40/501702140.db2.gz NROKTAIHGSYTQO-UNMCSNQZSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724400 501704287 /nfs/dbraw/zinc/70/42/87/501704287.db2.gz ASZWJLTVCDLRCV-IRXDYDNUSA-N 2 1 365.949 3.399 20 0 FGADMP C[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669367 501760630 /nfs/dbraw/zinc/76/06/30/501760630.db2.gz JXQGROKOMOWCCB-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000467419709 501790043 /nfs/dbraw/zinc/79/00/43/501790043.db2.gz RQZDHDQXUVZIER-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000467419709 501790044 /nfs/dbraw/zinc/79/00/44/501790044.db2.gz RQZDHDQXUVZIER-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000460473754 501831985 /nfs/dbraw/zinc/83/19/85/501831985.db2.gz CWVKSFKQMNMSRQ-HOTGVXAUSA-N 2 1 357.502 3.270 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000460473754 501831991 /nfs/dbraw/zinc/83/19/91/501831991.db2.gz CWVKSFKQMNMSRQ-HOTGVXAUSA-N 2 1 357.502 3.270 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCC2)C1 ZINC000470865178 501834796 /nfs/dbraw/zinc/83/47/96/501834796.db2.gz FPCXZNKZZIKLPA-UYAOXDASSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865178 501834798 /nfs/dbraw/zinc/83/47/98/501834798.db2.gz FPCXZNKZZIKLPA-UYAOXDASSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865178 501834802 /nfs/dbraw/zinc/83/48/02/501834802.db2.gz FPCXZNKZZIKLPA-UYAOXDASSA-N 2 1 355.526 3.032 20 0 FGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000474467831 501846285 /nfs/dbraw/zinc/84/62/85/501846285.db2.gz LIUIFKVEQVUUMJ-BHDDXSALSA-N 2 1 359.558 3.160 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694945 501847218 /nfs/dbraw/zinc/84/72/18/501847218.db2.gz COMBQNMHSWCVNK-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694945 501847220 /nfs/dbraw/zinc/84/72/20/501847220.db2.gz COMBQNMHSWCVNK-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694945 501847223 /nfs/dbraw/zinc/84/72/23/501847223.db2.gz COMBQNMHSWCVNK-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000467694945 501847225 /nfs/dbraw/zinc/84/72/25/501847225.db2.gz COMBQNMHSWCVNK-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC(C)C[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597671 501887672 /nfs/dbraw/zinc/88/76/72/501887672.db2.gz NBRXOOIGWMQUKO-RTWAWAEBSA-N 2 1 359.558 3.349 20 0 FGADMP CC(C)C[C@H](C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597671 501887675 /nfs/dbraw/zinc/88/76/75/501887675.db2.gz NBRXOOIGWMQUKO-RTWAWAEBSA-N 2 1 359.558 3.349 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460659753 501888579 /nfs/dbraw/zinc/88/85/79/501888579.db2.gz XQDUFRQYZIHUKV-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460659753 501888584 /nfs/dbraw/zinc/88/85/84/501888584.db2.gz XQDUFRQYZIHUKV-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460659753 501888590 /nfs/dbraw/zinc/88/85/90/501888590.db2.gz XQDUFRQYZIHUKV-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000478148416 501893533 /nfs/dbraw/zinc/89/35/33/501893533.db2.gz YPXNLFJMOPRJCP-RLLQIKCJSA-N 2 1 362.562 3.048 20 0 FGADMP CC(C)C[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468023132 501932858 /nfs/dbraw/zinc/93/28/58/501932858.db2.gz WCLBESKKHJAIEQ-QUCCMNQESA-N 2 1 360.546 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000474729807 501936161 /nfs/dbraw/zinc/93/61/61/501936161.db2.gz GTVFECFFAAGXTR-BGYRXZFFSA-N 2 1 371.569 3.309 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000474729807 501936164 /nfs/dbraw/zinc/93/61/64/501936164.db2.gz GTVFECFFAAGXTR-BGYRXZFFSA-N 2 1 371.569 3.309 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000474729807 501936166 /nfs/dbraw/zinc/93/61/66/501936166.db2.gz GTVFECFFAAGXTR-BGYRXZFFSA-N 2 1 371.569 3.309 20 0 FGADMP Cc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000474778517 501950069 /nfs/dbraw/zinc/95/00/69/501950069.db2.gz AHXUKZAKUDJPPI-UHFFFAOYSA-N 2 1 368.525 3.307 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000474831546 501966670 /nfs/dbraw/zinc/96/66/70/501966670.db2.gz LMLHAQNGKCLSFZ-OAQYLSRUSA-N 2 1 370.541 3.174 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000482121996 501981023 /nfs/dbraw/zinc/98/10/23/501981023.db2.gz RIWDTDGLUGTOKW-OAHLLOKOSA-N 2 1 350.260 3.458 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000482132787 501984263 /nfs/dbraw/zinc/98/42/63/501984263.db2.gz BWINZWYRKTYCQW-AEFFLSMTSA-N 2 1 363.571 3.123 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000482156016 501991951 /nfs/dbraw/zinc/99/19/51/501991951.db2.gz HOLXGACCPQBFNN-YOEHRIQHSA-N 2 1 353.457 3.394 20 0 FGADMP c1cc(CCC[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc2c1OCC2 ZINC000482168242 501995651 /nfs/dbraw/zinc/99/56/51/501995651.db2.gz ZJDZRDPANUITAX-UHFFFAOYSA-N 2 1 366.505 3.176 20 0 FGADMP Cc1ccc(CCC[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cn1 ZINC000474944282 502000758 /nfs/dbraw/zinc/00/07/58/502000758.db2.gz PQFSWJVIUHJSJI-QFIPXVFZSA-N 2 1 353.510 3.069 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[NH+]2CCc3ccccc3C2)c1 ZINC000471388687 502009177 /nfs/dbraw/zinc/00/91/77/502009177.db2.gz DYLDIGOBIOIMNI-UHFFFAOYSA-N 2 1 365.521 3.203 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000471388687 502009180 /nfs/dbraw/zinc/00/91/80/502009180.db2.gz DYLDIGOBIOIMNI-UHFFFAOYSA-N 2 1 365.521 3.203 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000471388687 502009183 /nfs/dbraw/zinc/00/91/83/502009183.db2.gz DYLDIGOBIOIMNI-UHFFFAOYSA-N 2 1 365.521 3.203 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H](O)C3CCCCC3)CC2)CC1 ZINC000475041548 502031737 /nfs/dbraw/zinc/03/17/37/502031737.db2.gz YVHHUIJHEFZZML-JOCHJYFZSA-N 2 1 365.606 3.056 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)C1CCCCC1 ZINC000475041548 502031740 /nfs/dbraw/zinc/03/17/40/502031740.db2.gz YVHHUIJHEFZZML-JOCHJYFZSA-N 3 1 365.606 3.056 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H](O)C1CCCCC1 ZINC000475041548 502031742 /nfs/dbraw/zinc/03/17/42/502031742.db2.gz YVHHUIJHEFZZML-JOCHJYFZSA-N 3 1 365.606 3.056 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042313 502031797 /nfs/dbraw/zinc/03/17/97/502031797.db2.gz WVVAEXPYWMVXNA-GMAHTHKFSA-N 2 1 365.521 3.069 20 0 FGADMP C[NH+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000475055598 502039373 /nfs/dbraw/zinc/03/93/73/502039373.db2.gz WPOFFYCCTWWFPP-KRWDZBQOSA-N 2 1 370.324 3.372 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000468381400 502041669 /nfs/dbraw/zinc/04/16/69/502041669.db2.gz HHNWUPCYWNSUKH-UHFFFAOYSA-N 2 1 374.573 3.197 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000482467331 502078163 /nfs/dbraw/zinc/07/81/63/502078163.db2.gz GECQVHMSUVVAMW-JOCHJYFZSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000482467331 502078168 /nfs/dbraw/zinc/07/81/68/502078168.db2.gz GECQVHMSUVVAMW-JOCHJYFZSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+](CC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000482467331 502078177 /nfs/dbraw/zinc/07/81/77/502078177.db2.gz GECQVHMSUVVAMW-JOCHJYFZSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+](CC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000482467331 502078182 /nfs/dbraw/zinc/07/81/82/502078182.db2.gz GECQVHMSUVVAMW-JOCHJYFZSA-N 2 1 365.521 3.145 20 0 FGADMP CC(C)[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468510977 502086016 /nfs/dbraw/zinc/08/60/16/502086016.db2.gz JSMYJBXIZBMTKS-RTWAWAEBSA-N 2 1 373.541 3.262 20 0 FGADMP CCN(C(=O)NCC[NH+]1CCC[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475169120 502088409 /nfs/dbraw/zinc/08/84/09/502088409.db2.gz JPLFAYIQHIDAPU-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169120 502088415 /nfs/dbraw/zinc/08/84/15/502088415.db2.gz JPLFAYIQHIDAPU-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169120 502088420 /nfs/dbraw/zinc/08/84/20/502088420.db2.gz JPLFAYIQHIDAPU-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000482508610 502093909 /nfs/dbraw/zinc/09/39/09/502093909.db2.gz LPNXSLWMBTZNQX-ROUUACIJSA-N 2 1 361.530 3.187 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429392 502110660 /nfs/dbraw/zinc/11/06/60/502110660.db2.gz NZLGCKGVPVEAOI-MISYRCLQSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000461728494 502182150 /nfs/dbraw/zinc/18/21/50/502182150.db2.gz PAHXAIKTLUXETE-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(Br)ccc21 ZINC000482897283 502210617 /nfs/dbraw/zinc/21/06/17/502210617.db2.gz XCKMTMWJKVJZAK-WMZOPIPTSA-N 2 1 367.331 3.263 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000479270116 502212256 /nfs/dbraw/zinc/21/22/56/502212256.db2.gz DNHIUCSLLVQOHH-LXZJYRNTSA-N 2 1 360.546 3.240 20 0 FGADMP Cc1nc(COc2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)no1 ZINC000475559311 502212509 /nfs/dbraw/zinc/21/25/09/502212509.db2.gz JWJIYMSYRNNNKI-UHFFFAOYSA-N 2 1 356.470 3.064 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475579532 502217501 /nfs/dbraw/zinc/21/75/01/502217501.db2.gz VNFKNINNAYVZJT-UHFFFAOYSA-N 2 1 372.465 3.335 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940251 502222317 /nfs/dbraw/zinc/22/23/17/502222317.db2.gz DEGWXYSLIHYZPT-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCc3nn(C)c4ccccc34)sc2C1 ZINC000479425948 502255924 /nfs/dbraw/zinc/25/59/24/502255924.db2.gz SPOZHXMJWPKDQJ-UHFFFAOYSA-N 2 1 369.538 3.129 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCc3nn(C)c4ccccc34)sc2C1 ZINC000479425948 502255930 /nfs/dbraw/zinc/25/59/30/502255930.db2.gz SPOZHXMJWPKDQJ-UHFFFAOYSA-N 2 1 369.538 3.129 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479502590 502279040 /nfs/dbraw/zinc/27/90/40/502279040.db2.gz PQXKYSBNQDZEIN-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465532773 502292556 /nfs/dbraw/zinc/29/25/56/502292556.db2.gz GYGLQQWNSGKHDT-WOJBJXKFSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000472270964 502293650 /nfs/dbraw/zinc/29/36/50/502293650.db2.gz AHLCSSMQOHCFFD-INIZCTEOSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000472270964 502293656 /nfs/dbraw/zinc/29/36/56/502293656.db2.gz AHLCSSMQOHCFFD-INIZCTEOSA-N 2 1 367.921 3.020 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C/C=C\c2ccncc2)[C@H](c2ccccc2)C1 ZINC000486930007 502306904 /nfs/dbraw/zinc/30/69/04/502306904.db2.gz QNLVLKCLCRBZAQ-GSRQWWPUSA-N 2 1 350.510 3.063 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](CCOc2ccc(SC)cc2)CC1 ZINC000483230867 502319306 /nfs/dbraw/zinc/31/93/06/502319306.db2.gz PZNFYKAZSPQPAP-UHFFFAOYSA-N 2 1 359.495 3.013 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+]1C ZINC000465604115 502323314 /nfs/dbraw/zinc/32/33/14/502323314.db2.gz ULESXYCBWJUPGX-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000469178570 502327539 /nfs/dbraw/zinc/32/75/39/502327539.db2.gz MTECDYLZOOJDGY-KZNAEPCWSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000469178570 502327546 /nfs/dbraw/zinc/32/75/46/502327546.db2.gz MTECDYLZOOJDGY-KZNAEPCWSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465633605 502332125 /nfs/dbraw/zinc/33/21/25/502332125.db2.gz PVIWRGQGHGWMEU-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688617 506309560 /nfs/dbraw/zinc/30/95/60/506309560.db2.gz TVWCYJKZZASFRJ-IRLDBZIGSA-N 2 1 354.494 3.229 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688617 506309565 /nfs/dbraw/zinc/30/95/65/506309565.db2.gz TVWCYJKZZASFRJ-IRLDBZIGSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469345099 502382503 /nfs/dbraw/zinc/38/25/03/502382503.db2.gz QSUMMIYKEGBINK-ZVDOUQERSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000469345099 502382509 /nfs/dbraw/zinc/38/25/09/502382509.db2.gz QSUMMIYKEGBINK-ZVDOUQERSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000469345099 502382517 /nfs/dbraw/zinc/38/25/17/502382517.db2.gz QSUMMIYKEGBINK-ZVDOUQERSA-N 2 1 357.542 3.420 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854868 502403876 /nfs/dbraw/zinc/40/38/76/502403876.db2.gz MYNHRBUILQHLGL-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465854868 502403879 /nfs/dbraw/zinc/40/38/79/502403879.db2.gz MYNHRBUILQHLGL-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465854868 502403881 /nfs/dbraw/zinc/40/38/81/502403881.db2.gz MYNHRBUILQHLGL-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000469434694 502416021 /nfs/dbraw/zinc/41/60/21/502416021.db2.gz SFBDUMWTKQPBQX-HKBOAZHASA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000469434694 502416024 /nfs/dbraw/zinc/41/60/24/502416024.db2.gz SFBDUMWTKQPBQX-HKBOAZHASA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000469434694 502416029 /nfs/dbraw/zinc/41/60/29/502416029.db2.gz SFBDUMWTKQPBQX-HKBOAZHASA-N 2 1 372.557 3.069 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000483513099 502417562 /nfs/dbraw/zinc/41/75/62/502417562.db2.gz BGNYTCRBNQEHQL-YYWHXJBOSA-N 2 1 374.573 3.366 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690848 506312487 /nfs/dbraw/zinc/31/24/87/506312487.db2.gz JPPOZVPIAJDHQV-YADHBBJMSA-N 2 1 356.485 3.326 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690848 506312493 /nfs/dbraw/zinc/31/24/93/506312493.db2.gz JPPOZVPIAJDHQV-YADHBBJMSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690848 506312500 /nfs/dbraw/zinc/31/25/00/506312500.db2.gz JPPOZVPIAJDHQV-YADHBBJMSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690848 506312508 /nfs/dbraw/zinc/31/25/08/506312508.db2.gz JPPOZVPIAJDHQV-YADHBBJMSA-N 2 1 356.485 3.326 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000480014032 502445692 /nfs/dbraw/zinc/44/56/92/502445692.db2.gz FEIDKEFSYPPRQK-KDOFPFPSSA-N 2 1 359.495 3.237 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000480014032 502445697 /nfs/dbraw/zinc/44/56/97/502445697.db2.gz FEIDKEFSYPPRQK-KDOFPFPSSA-N 2 1 359.495 3.237 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466033976 502460920 /nfs/dbraw/zinc/46/09/20/502460920.db2.gz DPMZHCZMIKTJNN-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000462508367 502469889 /nfs/dbraw/zinc/46/98/89/502469889.db2.gz VWIQPWGRWKQDTB-IBGZPJMESA-N 2 1 352.526 3.458 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C[C@H]1C ZINC000483712169 502472890 /nfs/dbraw/zinc/47/28/90/502472890.db2.gz MFDRSXJFFRRHHC-NEWSRXKRSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462535420 502478742 /nfs/dbraw/zinc/47/87/42/502478742.db2.gz OTYOYQXVAYLALD-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462535420 502478745 /nfs/dbraw/zinc/47/87/45/502478745.db2.gz OTYOYQXVAYLALD-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462535420 502478750 /nfs/dbraw/zinc/47/87/50/502478750.db2.gz OTYOYQXVAYLALD-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476403965 502480651 /nfs/dbraw/zinc/48/06/51/502480651.db2.gz HEDLVLBPTYDESE-OAQYLSRUSA-N 2 1 370.541 3.051 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000483792447 502494218 /nfs/dbraw/zinc/49/42/18/502494218.db2.gz VBPMZEIXSHJWIL-FXAWDEMLSA-N 2 1 364.578 3.298 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000483799116 502495801 /nfs/dbraw/zinc/49/58/01/502495801.db2.gz KVJWZLKSAIHXKG-IPMKNSEASA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000483799116 502495808 /nfs/dbraw/zinc/49/58/08/502495808.db2.gz KVJWZLKSAIHXKG-IPMKNSEASA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000483799116 502495817 /nfs/dbraw/zinc/49/58/17/502495817.db2.gz KVJWZLKSAIHXKG-IPMKNSEASA-N 2 1 366.594 3.401 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018816 502500764 /nfs/dbraw/zinc/50/07/64/502500764.db2.gz DPCJSDQRYOFLIB-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000473018816 502500766 /nfs/dbraw/zinc/50/07/66/502500766.db2.gz DPCJSDQRYOFLIB-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000473018816 502500767 /nfs/dbraw/zinc/50/07/67/502500767.db2.gz DPCJSDQRYOFLIB-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480491 502500850 /nfs/dbraw/zinc/50/08/50/502500850.db2.gz ADOMJBQVDRRUBQ-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000476480491 502500852 /nfs/dbraw/zinc/50/08/52/502500852.db2.gz ADOMJBQVDRRUBQ-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000476480491 502500855 /nfs/dbraw/zinc/50/08/55/502500855.db2.gz ADOMJBQVDRRUBQ-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000480255881 502514831 /nfs/dbraw/zinc/51/48/31/502514831.db2.gz ZDBFHAWZILSZTO-FPOVZHCZSA-N 2 1 359.558 3.166 20 0 FGADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487889865 502557914 /nfs/dbraw/zinc/55/79/14/502557914.db2.gz AKAXBQUETVBPTI-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000476752098 502577871 /nfs/dbraw/zinc/57/78/71/502577871.db2.gz CLXZKBNZNZNCNZ-BRWVUGGUSA-N 2 1 361.530 3.401 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965684 502582771 /nfs/dbraw/zinc/58/27/71/502582771.db2.gz WWBQYHOVNDEQSF-FHLIZLRMSA-N 2 1 351.922 3.037 20 0 FGADMP COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000484148589 502584208 /nfs/dbraw/zinc/58/42/08/502584208.db2.gz USTDFWCCOAVALF-WTIAFYNJSA-N 2 1 366.505 3.155 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825259 502594917 /nfs/dbraw/zinc/59/49/17/502594917.db2.gz WKJKUSQAVIDKMH-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462886190 502614666 /nfs/dbraw/zinc/61/46/66/502614666.db2.gz XEMLAUSWMJWRKG-HXUWFJFHSA-N 2 1 365.477 3.162 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604392 502617577 /nfs/dbraw/zinc/61/75/77/502617577.db2.gz BEFMDXKCVOWCDJ-WMZOPIPTSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604392 502617582 /nfs/dbraw/zinc/61/75/82/502617582.db2.gz BEFMDXKCVOWCDJ-WMZOPIPTSA-N 2 1 357.464 3.371 20 0 FGADMP Fc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nn2)cc1Cl ZINC000469992402 502621941 /nfs/dbraw/zinc/62/19/41/502621941.db2.gz PQXDFCPWHNUKPE-SFHVURJKSA-N 2 1 363.868 3.024 20 0 FGADMP Fc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nn2)c(Cl)c1 ZINC000470020061 502632210 /nfs/dbraw/zinc/63/22/10/502632210.db2.gz WZQSPYFOBRVMLX-QGZVFWFLSA-N 2 1 363.868 3.024 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000484433062 502642866 /nfs/dbraw/zinc/64/28/66/502642866.db2.gz AHQUNCVRDNCIEK-XLIONFOSSA-N 2 1 372.557 3.212 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000463138319 502704686 /nfs/dbraw/zinc/70/46/86/502704686.db2.gz OSWOYIPOGXYKNA-UHFFFAOYSA-N 2 1 366.505 3.297 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463161576 502710088 /nfs/dbraw/zinc/71/00/88/502710088.db2.gz NOJRSYCWJBJGFJ-DFQSSKMNSA-N 2 1 367.541 3.359 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)CC2 ZINC000463161576 502710089 /nfs/dbraw/zinc/71/00/89/502710089.db2.gz NOJRSYCWJBJGFJ-DFQSSKMNSA-N 2 1 367.541 3.359 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCO)CC[N@@H+]1Cc1ccccc1 ZINC000463193325 502716555 /nfs/dbraw/zinc/71/65/55/502716555.db2.gz RYXRPOVVTLLVNQ-GHTZIAJQSA-N 2 1 354.494 3.200 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCCO)CC[N@H+]1Cc1ccccc1 ZINC000463193325 502716561 /nfs/dbraw/zinc/71/65/61/502716561.db2.gz RYXRPOVVTLLVNQ-GHTZIAJQSA-N 2 1 354.494 3.200 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000477248669 502718966 /nfs/dbraw/zinc/71/89/66/502718966.db2.gz LPKURXWMJCLPFB-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000477248669 502718974 /nfs/dbraw/zinc/71/89/74/502718974.db2.gz LPKURXWMJCLPFB-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000477248669 502718978 /nfs/dbraw/zinc/71/89/78/502718978.db2.gz LPKURXWMJCLPFB-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000484729796 502723909 /nfs/dbraw/zinc/72/39/09/502723909.db2.gz NTXHOTITYXEIHK-LULLPPNCSA-N 2 1 352.906 3.244 20 0 FGADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000488510150 502736281 /nfs/dbraw/zinc/73/62/81/502736281.db2.gz BCRFJDGCXYVKMO-QFIPXVFZSA-N 2 1 367.468 3.376 20 0 FGADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000488510150 502736284 /nfs/dbraw/zinc/73/62/84/502736284.db2.gz BCRFJDGCXYVKMO-QFIPXVFZSA-N 2 1 367.468 3.376 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466979592 502746358 /nfs/dbraw/zinc/74/63/58/502746358.db2.gz SPKSCWFSWCUFTO-GOSISDBHSA-N 2 1 374.573 3.100 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000470366031 502751557 /nfs/dbraw/zinc/75/15/57/502751557.db2.gz BGIQVTRBJSTEMK-QFBILLFUSA-N 2 1 355.507 3.164 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000481164818 502770635 /nfs/dbraw/zinc/77/06/35/502770635.db2.gz HYKXDIDUCZOMJZ-QIYLELGZSA-N 2 1 357.542 3.180 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000481169748 502771583 /nfs/dbraw/zinc/77/15/83/502771583.db2.gz FOADEBGHVLUSRG-VJBMBRPKSA-N 2 1 368.521 3.064 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907468 502773066 /nfs/dbraw/zinc/77/30/66/502773066.db2.gz OSZULBFXGWMPOE-DXCKQFNASA-N 2 1 370.324 3.326 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907468 502773071 /nfs/dbraw/zinc/77/30/71/502773071.db2.gz OSZULBFXGWMPOE-DXCKQFNASA-N 2 1 370.324 3.326 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474000719 502776486 /nfs/dbraw/zinc/77/64/86/502776486.db2.gz NTRXFZRCHJYUDB-XLIONFOSSA-N 2 1 369.513 3.059 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474000719 502776491 /nfs/dbraw/zinc/77/64/91/502776491.db2.gz NTRXFZRCHJYUDB-XLIONFOSSA-N 2 1 369.513 3.059 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965069 502788328 /nfs/dbraw/zinc/78/83/28/502788328.db2.gz UUCTXKVXWWKQJL-BPXKWBHBSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965069 502788334 /nfs/dbraw/zinc/78/83/34/502788334.db2.gz UUCTXKVXWWKQJL-BPXKWBHBSA-N 2 1 369.484 3.043 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(C)C ZINC000470475863 502789228 /nfs/dbraw/zinc/78/92/28/502789228.db2.gz IEUWELGNHQJBOJ-LJQANCHMSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000484984287 502793651 /nfs/dbraw/zinc/79/36/51/502793651.db2.gz CHEUNDGWSJBUNY-VPWXQRGCSA-N 2 1 357.523 3.013 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000470531408 502806500 /nfs/dbraw/zinc/80/65/00/502806500.db2.gz VBWYSJYRKHVMNF-ZVDOUQERSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000470531408 502806505 /nfs/dbraw/zinc/80/65/05/502806505.db2.gz VBWYSJYRKHVMNF-ZVDOUQERSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000470531408 502806511 /nfs/dbraw/zinc/80/65/11/502806511.db2.gz VBWYSJYRKHVMNF-ZVDOUQERSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040645 502807862 /nfs/dbraw/zinc/80/78/62/502807862.db2.gz COMOMCQPLAGHCW-IEBWSBKVSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040645 502807868 /nfs/dbraw/zinc/80/78/68/502807868.db2.gz COMOMCQPLAGHCW-IEBWSBKVSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040645 502807872 /nfs/dbraw/zinc/80/78/72/502807872.db2.gz COMOMCQPLAGHCW-IEBWSBKVSA-N 2 1 371.550 3.349 20 0 FGADMP CC[NH+](Cc1cccs1)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040645 502807882 /nfs/dbraw/zinc/80/78/82/502807882.db2.gz COMOMCQPLAGHCW-IEBWSBKVSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877568 502817742 /nfs/dbraw/zinc/81/77/42/502817742.db2.gz VNVYHWIEBXWJKG-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504877568 502817744 /nfs/dbraw/zinc/81/77/44/502817744.db2.gz VNVYHWIEBXWJKG-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504877568 502817745 /nfs/dbraw/zinc/81/77/45/502817745.db2.gz VNVYHWIEBXWJKG-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccn1C1CCCC1 ZINC000488968425 502849362 /nfs/dbraw/zinc/84/93/62/502849362.db2.gz CVSZNAWSXGYUQV-IBGZPJMESA-N 2 1 360.546 3.091 20 0 FGADMP C[NH+](C)C(C)(C)CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000496135637 502875496 /nfs/dbraw/zinc/87/54/96/502875496.db2.gz ZAGQWXNMLUJSIK-UHFFFAOYSA-N 2 1 353.510 3.389 20 0 FGADMP Cc1cccc(C)c1OCCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000496807079 502906721 /nfs/dbraw/zinc/90/67/21/502906721.db2.gz WUPJPTNPDJNICF-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cccc(C)c1OCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000496807079 502906726 /nfs/dbraw/zinc/90/67/26/502906726.db2.gz WUPJPTNPDJNICF-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066160 502925982 /nfs/dbraw/zinc/92/59/82/502925982.db2.gz BJZAICHWTDAZDF-SFHVURJKSA-N 2 1 360.546 3.123 20 0 FGADMP COc1ccccc1CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000505555132 502934528 /nfs/dbraw/zinc/93/45/28/502934528.db2.gz IKCYOUJIOCEXRF-KDURUIRLSA-N 2 1 360.542 3.449 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558980 502965447 /nfs/dbraw/zinc/96/54/47/502965447.db2.gz FPXAORRATXYQSP-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558980 502965450 /nfs/dbraw/zinc/96/54/50/502965450.db2.gz FPXAORRATXYQSP-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558980 502965454 /nfs/dbraw/zinc/96/54/54/502965454.db2.gz FPXAORRATXYQSP-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558980 502965456 /nfs/dbraw/zinc/96/54/56/502965456.db2.gz FPXAORRATXYQSP-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498048 502973050 /nfs/dbraw/zinc/97/30/50/502973050.db2.gz OEIXJKXFOYSCEZ-PMACEKPBSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498048 502973057 /nfs/dbraw/zinc/97/30/57/502973057.db2.gz OEIXJKXFOYSCEZ-PMACEKPBSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000489528143 502979861 /nfs/dbraw/zinc/97/98/61/502979861.db2.gz ISHULCPQKYQNJV-YZGWKJHDSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000513613915 502980424 /nfs/dbraw/zinc/98/04/24/502980424.db2.gz UXXYXFZUJVTATP-FGZHOGPDSA-N 2 1 365.521 3.356 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765673 502981290 /nfs/dbraw/zinc/98/12/90/502981290.db2.gz KTDQIBVHJOQPAD-LJQANCHMSA-N 2 1 363.571 3.038 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805156 502988888 /nfs/dbraw/zinc/98/88/88/502988888.db2.gz NISHQWZWEJNGEW-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509805156 502988891 /nfs/dbraw/zinc/98/88/91/502988891.db2.gz NISHQWZWEJNGEW-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509805156 502988897 /nfs/dbraw/zinc/98/88/97/502988897.db2.gz NISHQWZWEJNGEW-IRFCIJBXSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000501361275 502992570 /nfs/dbraw/zinc/99/25/70/502992570.db2.gz OQUFXQCZLJXABV-LEWJYISDSA-N 2 1 374.573 3.099 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000489588578 502992829 /nfs/dbraw/zinc/99/28/29/502992829.db2.gz HCUCZMXUYLTCIF-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP C[N@@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)CC1CC[NH+](C)CC1 ZINC000513741411 503013670 /nfs/dbraw/zinc/01/36/70/503013670.db2.gz MINKGUKFSGFBLG-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[N@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)CC1CC[NH+](C)CC1 ZINC000513741411 503013675 /nfs/dbraw/zinc/01/36/75/503013675.db2.gz MINKGUKFSGFBLG-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490167 503019380 /nfs/dbraw/zinc/01/93/80/503019380.db2.gz IVLHAYVXFAMXNE-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490167 503019386 /nfs/dbraw/zinc/01/93/86/503019386.db2.gz IVLHAYVXFAMXNE-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490167 503019390 /nfs/dbraw/zinc/01/93/90/503019390.db2.gz IVLHAYVXFAMXNE-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490164 503019423 /nfs/dbraw/zinc/01/94/23/503019423.db2.gz IVLHAYVXFAMXNE-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490164 503019428 /nfs/dbraw/zinc/01/94/28/503019428.db2.gz IVLHAYVXFAMXNE-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490164 503019431 /nfs/dbraw/zinc/01/94/31/503019431.db2.gz IVLHAYVXFAMXNE-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501488890 503019558 /nfs/dbraw/zinc/01/95/58/503019558.db2.gz DQUQGSMNRIGWGW-WCIQWLHISA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000501488890 503019563 /nfs/dbraw/zinc/01/95/63/503019563.db2.gz DQUQGSMNRIGWGW-WCIQWLHISA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000501488890 503019565 /nfs/dbraw/zinc/01/95/65/503019565.db2.gz DQUQGSMNRIGWGW-WCIQWLHISA-N 2 1 366.594 3.307 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000509990461 503025581 /nfs/dbraw/zinc/02/55/81/503025581.db2.gz VAIIOJWGXLAZSM-UHFFFAOYSA-N 2 1 374.286 3.320 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000489765049 503028673 /nfs/dbraw/zinc/02/86/73/503028673.db2.gz HQQAZJJFQVINQF-UHFFFAOYSA-N 2 1 356.514 3.340 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000501548617 503034309 /nfs/dbraw/zinc/03/43/09/503034309.db2.gz ZPJQUTFCAUIHRI-DLBZAZTESA-N 2 1 364.559 3.059 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891552 503043306 /nfs/dbraw/zinc/04/33/06/503043306.db2.gz ITOIZZQYKRYKHR-DYXWJJEUSA-N 2 1 372.557 3.243 20 0 FGADMP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[NH+](C)C ZINC000513922741 503049681 /nfs/dbraw/zinc/04/96/81/503049681.db2.gz VGXRBKQPOIYRES-BDTNDASRSA-N 2 1 365.521 3.111 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)NCc2ccccc2Cl)CC1 ZINC000514008578 503067258 /nfs/dbraw/zinc/06/72/58/503067258.db2.gz MWKTZFMKRXDDNZ-UHFFFAOYSA-N 2 1 351.922 3.151 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000501773847 503077449 /nfs/dbraw/zinc/07/74/49/503077449.db2.gz DYCKLMGJGKLTKE-VAMGGRTRSA-N 2 1 366.594 3.166 20 0 FGADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[NH+]2CCCC2)c1 ZINC000514093529 503085307 /nfs/dbraw/zinc/08/53/07/503085307.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093529 503085310 /nfs/dbraw/zinc/08/53/10/503085310.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)c1 ZINC000514093529 503085314 /nfs/dbraw/zinc/08/53/14/503085314.db2.gz JIAHOHXJAWEGLP-LRSLUSHPSA-N 2 1 357.542 3.295 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326654 503092520 /nfs/dbraw/zinc/09/25/20/503092520.db2.gz ZCTVTVVIRJDRJX-VURPSTOHSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326654 503092522 /nfs/dbraw/zinc/09/25/22/503092522.db2.gz ZCTVTVVIRJDRJX-VURPSTOHSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326654 503092528 /nfs/dbraw/zinc/09/25/28/503092528.db2.gz ZCTVTVVIRJDRJX-VURPSTOHSA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055293 503096921 /nfs/dbraw/zinc/09/69/21/503096921.db2.gz ODIIOLTZGVYFAG-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055293 503096924 /nfs/dbraw/zinc/09/69/24/503096924.db2.gz ODIIOLTZGVYFAG-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000498055293 503096926 /nfs/dbraw/zinc/09/69/26/503096926.db2.gz ODIIOLTZGVYFAG-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000498055293 503096929 /nfs/dbraw/zinc/09/69/29/503096929.db2.gz ODIIOLTZGVYFAG-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@]1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479661 503123442 /nfs/dbraw/zinc/12/34/42/503123442.db2.gz JNMNDFKYEZTFQP-FCHUYYIVSA-N 2 1 355.526 3.033 20 0 FGADMP Cc1[nH+]ccc(N2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1Cl ZINC000502012906 503127074 /nfs/dbraw/zinc/12/70/74/503127074.db2.gz FYLJWPPBKCQLOC-GJZGRUSLSA-N 2 1 367.921 3.138 20 0 FGADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551427 503142659 /nfs/dbraw/zinc/14/26/59/503142659.db2.gz UIGREECTKPXOGV-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000502121709 503146982 /nfs/dbraw/zinc/14/69/82/503146982.db2.gz JVDDXPHDLWEGTI-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934685 503197356 /nfs/dbraw/zinc/19/73/56/503197356.db2.gz PKQCQWPDQOEYGI-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CCN(C)c1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896220 503221907 /nfs/dbraw/zinc/22/19/07/503221907.db2.gz KHEIEZGNGXLLBT-VXKWHMMOSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896220 503221911 /nfs/dbraw/zinc/22/19/11/503221911.db2.gz KHEIEZGNGXLLBT-VXKWHMMOSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896220 503221915 /nfs/dbraw/zinc/22/19/15/503221915.db2.gz KHEIEZGNGXLLBT-VXKWHMMOSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896220 503221917 /nfs/dbraw/zinc/22/19/17/503221917.db2.gz KHEIEZGNGXLLBT-VXKWHMMOSA-N 2 1 364.537 3.492 20 0 FGADMP Cc1ccc(CN2CCOCC2)cc1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000498641079 503229959 /nfs/dbraw/zinc/22/99/59/503229959.db2.gz WDRFQYSBBXZMJA-LJQANCHMSA-N 2 1 359.514 3.030 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@@H]2CCCCN12 ZINC000510999106 503233190 /nfs/dbraw/zinc/23/31/90/503233190.db2.gz ORCXAENYSFCWGU-TWGBQZSLSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832764 503233691 /nfs/dbraw/zinc/23/36/91/503233691.db2.gz BKDPZWGWRYZMPN-CZTZKLFOSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832764 503233696 /nfs/dbraw/zinc/23/36/96/503233696.db2.gz BKDPZWGWRYZMPN-CZTZKLFOSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832764 503233699 /nfs/dbraw/zinc/23/36/99/503233699.db2.gz BKDPZWGWRYZMPN-CZTZKLFOSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709397 503243696 /nfs/dbraw/zinc/24/36/96/503243696.db2.gz IVAQWWJRIWVRJL-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709397 503243700 /nfs/dbraw/zinc/24/37/00/503243700.db2.gz IVAQWWJRIWVRJL-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709397 503243706 /nfs/dbraw/zinc/24/37/06/503243706.db2.gz IVAQWWJRIWVRJL-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502823002 503280797 /nfs/dbraw/zinc/28/07/97/503280797.db2.gz DCZACKZQKVPYBH-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000511242059 503285765 /nfs/dbraw/zinc/28/57/65/503285765.db2.gz LSYWVJIGNJCCSZ-KXBFYZLASA-N 2 1 371.506 3.366 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511290424 503293181 /nfs/dbraw/zinc/29/31/81/503293181.db2.gz FTSHDCWOKINMSC-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511290424 503293187 /nfs/dbraw/zinc/29/31/87/503293187.db2.gz FTSHDCWOKINMSC-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511290424 503293190 /nfs/dbraw/zinc/29/31/90/503293190.db2.gz FTSHDCWOKINMSC-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491308479 503295722 /nfs/dbraw/zinc/29/57/22/503295722.db2.gz IANXDRMDOGQWRJ-PZJWPPBQSA-N 2 1 355.530 3.317 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000502878764 503296401 /nfs/dbraw/zinc/29/64/01/503296401.db2.gz VMWOWHGOWJRTIP-DLBZAZTESA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000502874919 503296479 /nfs/dbraw/zinc/29/64/79/503296479.db2.gz BGZIRKZGESIJBI-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](C)C ZINC000502897260 503302575 /nfs/dbraw/zinc/30/25/75/503302575.db2.gz WAQAMNLDEKPFRF-LMNJBCLMSA-N 2 1 372.557 3.302 20 0 FGADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000515254250 503303279 /nfs/dbraw/zinc/30/32/79/503303279.db2.gz OTHSQFSOIOFNEF-UHFFFAOYSA-N 2 1 358.486 3.265 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OCc2noc(C)n2)cc1 ZINC000515254250 503303285 /nfs/dbraw/zinc/30/32/85/503303285.db2.gz OTHSQFSOIOFNEF-UHFFFAOYSA-N 2 1 358.486 3.265 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000515291606 503308117 /nfs/dbraw/zinc/30/81/17/503308117.db2.gz BTSRQJDUZHOBOD-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399731 503313923 /nfs/dbraw/zinc/31/39/23/503313923.db2.gz SWMGKOAZPIDXOX-PMACEKPBSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399731 503313929 /nfs/dbraw/zinc/31/39/29/503313929.db2.gz SWMGKOAZPIDXOX-PMACEKPBSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000511399731 503313934 /nfs/dbraw/zinc/31/39/34/503313934.db2.gz SWMGKOAZPIDXOX-PMACEKPBSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000511399731 503313937 /nfs/dbraw/zinc/31/39/37/503313937.db2.gz SWMGKOAZPIDXOX-PMACEKPBSA-N 2 1 365.949 3.176 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000502963090 503315499 /nfs/dbraw/zinc/31/54/99/503315499.db2.gz XXOYFNCZVJIFCY-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423277 503318897 /nfs/dbraw/zinc/31/88/97/503318897.db2.gz VUNQNHGWRQLZJQ-HXUWFJFHSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423277 503318901 /nfs/dbraw/zinc/31/89/01/503318901.db2.gz VUNQNHGWRQLZJQ-HXUWFJFHSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C(C)C ZINC000511423277 503318905 /nfs/dbraw/zinc/31/89/05/503318905.db2.gz VUNQNHGWRQLZJQ-HXUWFJFHSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000511437175 503321405 /nfs/dbraw/zinc/32/14/05/503321405.db2.gz IBQRUKRRIRCDOG-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438048 503322114 /nfs/dbraw/zinc/32/21/14/503322114.db2.gz KUWFQEQXFYDRMP-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438048 503322119 /nfs/dbraw/zinc/32/21/19/503322119.db2.gz KUWFQEQXFYDRMP-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438048 503322124 /nfs/dbraw/zinc/32/21/24/503322124.db2.gz KUWFQEQXFYDRMP-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502777 503333566 /nfs/dbraw/zinc/33/35/66/503333566.db2.gz FOURYZXGBMBPCY-HOJAQTOUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502777 503333568 /nfs/dbraw/zinc/33/35/68/503333568.db2.gz FOURYZXGBMBPCY-HOJAQTOUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502777 503333569 /nfs/dbraw/zinc/33/35/69/503333569.db2.gz FOURYZXGBMBPCY-HOJAQTOUSA-N 2 1 372.557 3.069 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@](C)(CO)c1ccc(Br)cc1 ZINC000511552199 503342441 /nfs/dbraw/zinc/34/24/41/503342441.db2.gz GJFQLPQRJJAWRR-QGZVFWFLSA-N 2 1 366.303 3.232 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499186083 503351846 /nfs/dbraw/zinc/35/18/46/503351846.db2.gz AEQXIPWEXTXHPS-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238534 503375278 /nfs/dbraw/zinc/37/52/78/503375278.db2.gz ZMPDCEKPJIRLFU-QWFCFKBJSA-N 2 1 363.933 3.466 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238534 503375281 /nfs/dbraw/zinc/37/52/81/503375281.db2.gz ZMPDCEKPJIRLFU-QWFCFKBJSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238534 503375284 /nfs/dbraw/zinc/37/52/84/503375284.db2.gz ZMPDCEKPJIRLFU-QWFCFKBJSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238534 503375288 /nfs/dbraw/zinc/37/52/88/503375288.db2.gz ZMPDCEKPJIRLFU-QWFCFKBJSA-N 2 1 363.933 3.466 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000511717061 503375495 /nfs/dbraw/zinc/37/54/95/503375495.db2.gz XELZQZAAOPUHNL-MRXNPFEDSA-N 2 1 354.498 3.242 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000511717061 503375497 /nfs/dbraw/zinc/37/54/97/503375497.db2.gz XELZQZAAOPUHNL-MRXNPFEDSA-N 2 1 354.498 3.242 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc(OCC(F)(F)F)c2)s1 ZINC000511760121 503381895 /nfs/dbraw/zinc/38/18/95/503381895.db2.gz VTEPGNZYTCFHAX-UHFFFAOYSA-N 2 1 373.444 3.478 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccccc2Br)s1 ZINC000511769865 503384382 /nfs/dbraw/zinc/38/43/82/503384382.db2.gz IGEKFFFDXOIQHF-UHFFFAOYSA-N 2 1 354.317 3.300 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503360212 503394222 /nfs/dbraw/zinc/39/42/22/503394222.db2.gz GZYWXKHTYRWWSW-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503376302 503396926 /nfs/dbraw/zinc/39/69/26/503396926.db2.gz KCUSKYGCHUUWDQ-KURKYZTESA-N 2 1 358.530 3.188 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503376302 503396928 /nfs/dbraw/zinc/39/69/28/503396928.db2.gz KCUSKYGCHUUWDQ-KURKYZTESA-N 2 1 358.530 3.188 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832089 503408756 /nfs/dbraw/zinc/40/87/56/503408756.db2.gz JCBUVNSPDMKEIH-VGBGELSPSA-N 2 1 366.933 3.383 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441080 503409627 /nfs/dbraw/zinc/40/96/27/503409627.db2.gz GNKADKCINNDFBH-PMACEKPBSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511920598 503416042 /nfs/dbraw/zinc/41/60/42/503416042.db2.gz XXIHFGMMXJTLLN-GUDVDZBRSA-N 2 1 369.553 3.297 20 0 FGADMP C[NH+](C)Cc1cnc(CNc2ccccc2C[NH+]2CCC(CO)CC2)s1 ZINC000512006733 503433656 /nfs/dbraw/zinc/43/36/56/503433656.db2.gz LMVXMJCBRKOKLF-UHFFFAOYSA-N 2 1 374.554 3.021 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000512097534 503456536 /nfs/dbraw/zinc/45/65/36/503456536.db2.gz FKTKIURZODYSKG-OAHLLOKOSA-N 2 1 364.584 3.268 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000512097534 503456538 /nfs/dbraw/zinc/45/65/38/503456538.db2.gz FKTKIURZODYSKG-OAHLLOKOSA-N 2 1 364.584 3.268 20 0 FGADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000512098571 503456824 /nfs/dbraw/zinc/45/68/24/503456824.db2.gz IEVAAVZHGXCZGW-UHFFFAOYSA-N 2 1 358.555 3.001 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccc(F)cc3)CCOCC2)s1 ZINC000512124900 503463272 /nfs/dbraw/zinc/46/32/72/503463272.db2.gz UNBFLPIZCARNSA-UHFFFAOYSA-N 2 1 363.502 3.182 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731046 503466407 /nfs/dbraw/zinc/46/64/07/503466407.db2.gz UAMLFGNCXKWVIO-HKUYNNGSSA-N 2 1 372.557 3.432 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000516207922 503471847 /nfs/dbraw/zinc/47/18/47/503471847.db2.gz FPGAWZJJTGYATP-UHFFFAOYSA-N 2 1 364.371 3.105 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@H]2C)CC1 ZINC000512158227 503472073 /nfs/dbraw/zinc/47/20/73/503472073.db2.gz BQWDVMGVOWGLAN-LJQANCHMSA-N 2 1 357.542 3.340 20 0 FGADMP CCC[N@H+](CCn1nc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280694 503507520 /nfs/dbraw/zinc/50/75/20/503507520.db2.gz OZHQATHGCLXEJH-UHFFFAOYSA-N 2 1 370.545 3.288 20 0 FGADMP CCC[N@@H+](CCn1nc(C)cc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000512280694 503507524 /nfs/dbraw/zinc/50/75/24/503507524.db2.gz OZHQATHGCLXEJH-UHFFFAOYSA-N 2 1 370.545 3.288 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000608013375 506376299 /nfs/dbraw/zinc/37/62/99/506376299.db2.gz ARTOXFFNMWLPAM-SFTDATJTSA-N 2 1 355.526 3.128 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000512318858 503518849 /nfs/dbraw/zinc/51/88/49/503518849.db2.gz TXSGKCWKRYNTPZ-DYESRHJHSA-N 2 1 371.550 3.227 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560120 503536066 /nfs/dbraw/zinc/53/60/66/503536066.db2.gz GYPDXUFQNLYJPZ-UZKOGDIHSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560120 503536072 /nfs/dbraw/zinc/53/60/72/503536072.db2.gz GYPDXUFQNLYJPZ-UZKOGDIHSA-N 2 1 372.557 3.195 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)sc1Br ZINC000512398650 503537138 /nfs/dbraw/zinc/53/71/38/503537138.db2.gz BWFZDJYPPJMADW-CYBMUJFWSA-N 2 1 374.392 3.496 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508860386 503580866 /nfs/dbraw/zinc/58/08/66/503580866.db2.gz DUUMWUSJTQLMRE-PXNSSMCTSA-N 2 1 371.529 3.223 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516767037 503582995 /nfs/dbraw/zinc/58/29/95/503582995.db2.gz MZWAFSMFSHGHFC-OLMNPRSZSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516767037 503582999 /nfs/dbraw/zinc/58/29/99/503582999.db2.gz MZWAFSMFSHGHFC-OLMNPRSZSA-N 2 1 367.896 3.119 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[C@@H](C)C1 ZINC000508917608 503599425 /nfs/dbraw/zinc/59/94/25/503599425.db2.gz IBRNPKMCUWFOED-YHELAOLJSA-N 2 1 374.573 3.358 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+](C)C ZINC000508923807 503601362 /nfs/dbraw/zinc/60/13/62/503601362.db2.gz OLEOIPZWUMHFKC-ZSXPUABSSA-N 2 1 372.557 3.112 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494746786 503603138 /nfs/dbraw/zinc/60/31/38/503603138.db2.gz QMLNJCPQVDVBDE-OOMBGRCJSA-N 2 1 366.505 3.091 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCC2([NH3+])CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000516914520 503616695 /nfs/dbraw/zinc/61/66/95/503616695.db2.gz GMBPXNVFLSGANV-KRWDZBQOSA-N 2 1 374.529 3.253 20 0 FGADMP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)co2)cc1 ZINC000517020552 503645761 /nfs/dbraw/zinc/64/57/61/503645761.db2.gz ICLMRNLUNXAJPF-UXHICEINSA-N 2 1 371.481 3.069 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659218 503665187 /nfs/dbraw/zinc/66/51/87/503665187.db2.gz ORUBFQGXPCKZQJ-FUHWJXTLSA-N 2 1 350.503 3.025 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659218 503665192 /nfs/dbraw/zinc/66/51/92/503665192.db2.gz ORUBFQGXPCKZQJ-FUHWJXTLSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659218 503665196 /nfs/dbraw/zinc/66/51/96/503665196.db2.gz ORUBFQGXPCKZQJ-FUHWJXTLSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659218 503665201 /nfs/dbraw/zinc/66/52/01/503665201.db2.gz ORUBFQGXPCKZQJ-FUHWJXTLSA-N 2 1 350.503 3.025 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000536676638 503674416 /nfs/dbraw/zinc/67/44/16/503674416.db2.gz KFXDRKFZGDGGIJ-PXNSSMCTSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@H+]1Cc1ccccc1 ZINC000536676638 503674423 /nfs/dbraw/zinc/67/44/23/503674423.db2.gz KFXDRKFZGDGGIJ-PXNSSMCTSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676638 503674428 /nfs/dbraw/zinc/67/44/28/503674428.db2.gz KFXDRKFZGDGGIJ-PXNSSMCTSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676638 503674431 /nfs/dbraw/zinc/67/44/31/503674431.db2.gz KFXDRKFZGDGGIJ-PXNSSMCTSA-N 2 1 363.509 3.453 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000536695726 503685530 /nfs/dbraw/zinc/68/55/30/503685530.db2.gz MQTWKAHUDOUPMH-GOSISDBHSA-N 2 1 363.521 3.359 20 0 FGADMP Cc1ccc(SCC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000532986561 503687905 /nfs/dbraw/zinc/68/79/05/503687905.db2.gz XXTAWKWIEHAJND-HXUWFJFHSA-N 2 1 361.599 3.496 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000536722931 503696342 /nfs/dbraw/zinc/69/63/42/503696342.db2.gz WLASMLCRDYZKFY-HXUWFJFHSA-N 2 1 358.530 3.177 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257775 503702152 /nfs/dbraw/zinc/70/21/52/503702152.db2.gz ZLRYQMBFRYERJN-PKOBYXMFSA-N 2 1 372.557 3.340 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257775 503702155 /nfs/dbraw/zinc/70/21/55/503702155.db2.gz ZLRYQMBFRYERJN-PKOBYXMFSA-N 2 1 372.557 3.340 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000533051059 503713772 /nfs/dbraw/zinc/71/37/72/503713772.db2.gz VBBVKIARTUSDHT-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000533051059 503713778 /nfs/dbraw/zinc/71/37/78/503713778.db2.gz VBBVKIARTUSDHT-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000533051059 503713783 /nfs/dbraw/zinc/71/37/83/503713783.db2.gz VBBVKIARTUSDHT-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccnc3)cc2)C[C@H]1C ZINC000540323054 503736691 /nfs/dbraw/zinc/73/66/91/503736691.db2.gz AAVZMBJQDISNDY-KDURUIRLSA-N 2 1 353.510 3.381 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CCCO2 ZINC000536846548 503738962 /nfs/dbraw/zinc/73/89/62/503738962.db2.gz PORUJNRALZZJIR-NJYVYQBISA-N 2 1 358.526 3.485 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000533181471 503751203 /nfs/dbraw/zinc/75/12/03/503751203.db2.gz CXZADTHSHVTOKL-GOSISDBHSA-N 2 1 374.529 3.015 20 0 FGADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394712 503752270 /nfs/dbraw/zinc/75/22/70/503752270.db2.gz ZGVXNBXORVPWPG-WMZOPIPTSA-N 2 1 369.513 3.093 20 0 FGADMP CN1CC[NH+](CCCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543405565 503757922 /nfs/dbraw/zinc/75/79/22/503757922.db2.gz YUZGVBFEQULIEP-OAQYLSRUSA-N 2 1 374.479 3.066 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000543417089 503762239 /nfs/dbraw/zinc/76/22/39/503762239.db2.gz MHCXKAQTEDTOIU-UNMCSNQZSA-N 2 1 359.558 3.222 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000527458211 503795718 /nfs/dbraw/zinc/79/57/18/503795718.db2.gz RONVNOHNZCRNMD-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000527458211 503795722 /nfs/dbraw/zinc/79/57/22/503795722.db2.gz RONVNOHNZCRNMD-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000527458211 503795726 /nfs/dbraw/zinc/79/57/26/503795726.db2.gz RONVNOHNZCRNMD-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000533310660 503803558 /nfs/dbraw/zinc/80/35/58/503803558.db2.gz VPUQMQJILOPPNX-FQEVSTJZSA-N 2 1 368.525 3.163 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000533310660 503803562 /nfs/dbraw/zinc/80/35/62/503803562.db2.gz VPUQMQJILOPPNX-FQEVSTJZSA-N 2 1 368.525 3.163 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000533310660 503803566 /nfs/dbraw/zinc/80/35/66/503803566.db2.gz VPUQMQJILOPPNX-FQEVSTJZSA-N 2 1 368.525 3.163 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000533310660 503803572 /nfs/dbraw/zinc/80/35/72/503803572.db2.gz VPUQMQJILOPPNX-FQEVSTJZSA-N 2 1 368.525 3.163 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000517705673 503813547 /nfs/dbraw/zinc/81/35/47/503813547.db2.gz SNQCYQWIOZTPNA-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@H](C)C1 ZINC000517705673 503813553 /nfs/dbraw/zinc/81/35/53/503813553.db2.gz SNQCYQWIOZTPNA-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCC[C@H](C)C1 ZINC000517705673 503813558 /nfs/dbraw/zinc/81/35/58/503813558.db2.gz SNQCYQWIOZTPNA-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCC[C@H](C)C1 ZINC000517705673 503813562 /nfs/dbraw/zinc/81/35/62/503813562.db2.gz SNQCYQWIOZTPNA-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543597210 503824599 /nfs/dbraw/zinc/82/45/99/503824599.db2.gz ZZFOHVDTZBFHSA-HKUYNNGSSA-N 2 1 364.921 3.109 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCCCC2 ZINC000540595633 503828544 /nfs/dbraw/zinc/82/85/44/503828544.db2.gz CZCNOJSJHZTTGH-OALUTQOASA-N 2 1 350.547 3.349 20 0 FGADMP CCOC(=O)C1CCC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000537313624 503876411 /nfs/dbraw/zinc/87/64/11/503876411.db2.gz FROQPBWJUMTVKG-UHFFFAOYSA-N 2 1 366.546 3.122 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218990 503882306 /nfs/dbraw/zinc/88/23/06/503882306.db2.gz KLFNDTBKENKJGH-SWLSCSKDSA-N 2 1 371.403 3.177 20 0 FGADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530237020 503886939 /nfs/dbraw/zinc/88/69/39/503886939.db2.gz BDLSJGYODWLAID-DYESRHJHSA-N 2 1 373.541 3.229 20 0 FGADMP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530238782 503888577 /nfs/dbraw/zinc/88/85/77/503888577.db2.gz CDCXFMWGGVDIEQ-HNNXBMFYSA-N 2 1 371.294 3.179 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530242941 503890972 /nfs/dbraw/zinc/89/09/72/503890972.db2.gz VVCYMFGDSBQNMV-GOSISDBHSA-N 2 1 351.560 3.322 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(F)ccc2F)c2cccs2)CC1 ZINC000518248597 503935817 /nfs/dbraw/zinc/93/58/17/503935817.db2.gz RZDDJKFHYZJCPU-KRWDZBQOSA-N 2 1 351.466 3.105 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829886 503963302 /nfs/dbraw/zinc/96/33/02/503963302.db2.gz CCOUEXUAHVOLJL-ACRUOGEOSA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829886 503963308 /nfs/dbraw/zinc/96/33/08/503963308.db2.gz CCOUEXUAHVOLJL-ACRUOGEOSA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829886 503963313 /nfs/dbraw/zinc/96/33/13/503963313.db2.gz CCOUEXUAHVOLJL-ACRUOGEOSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000543990296 503963582 /nfs/dbraw/zinc/96/35/82/503963582.db2.gz AIZNZOSSDVNEOE-HDICACEKSA-N 2 1 366.571 3.271 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000543990296 503963587 /nfs/dbraw/zinc/96/35/87/503963587.db2.gz AIZNZOSSDVNEOE-HDICACEKSA-N 2 1 366.571 3.271 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000540998853 503970911 /nfs/dbraw/zinc/97/09/11/503970911.db2.gz MDKVQPRWIVWDQC-UHFFFAOYSA-N 2 1 367.493 3.289 20 0 FGADMP COc1ccccc1/C=C\C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000537658977 503994421 /nfs/dbraw/zinc/99/44/21/503994421.db2.gz DQLDLHOEJLLMMQ-VURMDHGXSA-N 2 1 357.542 3.199 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000533986797 504009845 /nfs/dbraw/zinc/00/98/45/504009845.db2.gz VISIPKMMKBLGGP-NHCUHLMSSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCCN1c1cccnn1 ZINC000530619091 504028423 /nfs/dbraw/zinc/02/84/23/504028423.db2.gz XUZSEGJJTKRUIE-FQEVSTJZSA-N 2 1 367.541 3.193 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@H](C)C1 ZINC000541176454 504032426 /nfs/dbraw/zinc/03/24/26/504032426.db2.gz CAGGGPQRTNCIFJ-NQIIRXRSSA-N 2 1 370.541 3.314 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000528001976 504034430 /nfs/dbraw/zinc/03/44/30/504034430.db2.gz QNCDSRFUAWZDJL-KEZQHZCBSA-N 2 1 361.489 3.335 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000541220852 504048898 /nfs/dbraw/zinc/04/88/98/504048898.db2.gz APYQSPUSWJGTOP-QUCCMNQESA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000541220852 504048903 /nfs/dbraw/zinc/04/89/03/504048903.db2.gz APYQSPUSWJGTOP-QUCCMNQESA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000541220852 504048904 /nfs/dbraw/zinc/04/89/04/504048904.db2.gz APYQSPUSWJGTOP-QUCCMNQESA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000541220852 504048908 /nfs/dbraw/zinc/04/89/08/504048908.db2.gz APYQSPUSWJGTOP-QUCCMNQESA-N 2 1 374.525 3.325 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266322 504138444 /nfs/dbraw/zinc/13/84/44/504138444.db2.gz JCXRCBIKDFFAFW-HKUYNNGSSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266322 504138452 /nfs/dbraw/zinc/13/84/52/504138452.db2.gz JCXRCBIKDFFAFW-HKUYNNGSSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266322 504138456 /nfs/dbraw/zinc/13/84/56/504138456.db2.gz JCXRCBIKDFFAFW-HKUYNNGSSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266322 504138462 /nfs/dbraw/zinc/13/84/62/504138462.db2.gz JCXRCBIKDFFAFW-HKUYNNGSSA-N 2 1 363.933 3.151 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000534474168 504151699 /nfs/dbraw/zinc/15/16/99/504151699.db2.gz AITJRJBATWBDNT-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000538204971 504161571 /nfs/dbraw/zinc/16/15/71/504161571.db2.gz SKPHUYHZFOSBSK-WOJBJXKFSA-N 2 1 364.555 3.118 20 0 FGADMP CN(CCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)c1cc[nH+]cc1 ZINC000547658485 504171260 /nfs/dbraw/zinc/17/12/60/504171260.db2.gz XRJPZHZREFECEJ-QFIPXVFZSA-N 2 1 366.509 3.079 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541548042 504171999 /nfs/dbraw/zinc/17/19/99/504171999.db2.gz DNOICKHUCSYXBL-JOCHJYFZSA-N 2 1 370.516 3.317 20 0 FGADMP COc1cc(C)nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000534551187 504172375 /nfs/dbraw/zinc/17/23/75/504172375.db2.gz FGUZYQKJMSLYIE-UHFFFAOYSA-N 2 1 374.573 3.027 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000531061933 504175085 /nfs/dbraw/zinc/17/50/85/504175085.db2.gz AQEHPZLORWZDKB-LJQANCHMSA-N 2 1 353.510 3.145 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261444 504180547 /nfs/dbraw/zinc/18/05/47/504180547.db2.gz UQLHPLXKJRYFST-ICSRJNTNSA-N 2 1 357.542 3.439 20 0 FGADMP CC[C@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000519285581 504182998 /nfs/dbraw/zinc/18/29/98/504182998.db2.gz BNWLPQOXRMNPJM-FQEVSTJZSA-N 2 1 357.542 3.151 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000519294376 504184644 /nfs/dbraw/zinc/18/46/44/504184644.db2.gz UIOGCCROVJZGIT-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP O=C(C[NH2+]C1(C2CC2)CC1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000541595658 504193338 /nfs/dbraw/zinc/19/33/38/504193338.db2.gz DXBMUQQQJSDPCZ-GOSISDBHSA-N 2 1 361.917 3.125 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538304470 504198290 /nfs/dbraw/zinc/19/82/90/504198290.db2.gz IBMVRSRBVNOISN-HXUWFJFHSA-N 2 1 356.514 3.020 20 0 FGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N1CCc2sccc2C1 ZINC000547732296 504203213 /nfs/dbraw/zinc/20/32/13/504203213.db2.gz VLBLSGCJBHMSSU-MRXNPFEDSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCc2sccc2C1 ZINC000547732296 504203219 /nfs/dbraw/zinc/20/32/19/504203219.db2.gz VLBLSGCJBHMSSU-MRXNPFEDSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCc2sccc2C1 ZINC000547732296 504203221 /nfs/dbraw/zinc/20/32/21/504203221.db2.gz VLBLSGCJBHMSSU-MRXNPFEDSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000547732296 504203225 /nfs/dbraw/zinc/20/32/25/504203225.db2.gz VLBLSGCJBHMSSU-MRXNPFEDSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000547732296 504203228 /nfs/dbraw/zinc/20/32/28/504203228.db2.gz VLBLSGCJBHMSSU-MRXNPFEDSA-N 2 1 363.571 3.266 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)Cn2cnc3c2CCCC3)CC1)CC(C)C ZINC000544661801 504207639 /nfs/dbraw/zinc/20/76/39/504207639.db2.gz YUXMJIRKPSMUOE-UHFFFAOYSA-N 2 1 374.573 3.369 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1)CC(C)C ZINC000544661801 504207642 /nfs/dbraw/zinc/20/76/42/504207642.db2.gz YUXMJIRKPSMUOE-UHFFFAOYSA-N 2 1 374.573 3.369 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1)CC(C)C ZINC000544661801 504207648 /nfs/dbraw/zinc/20/76/48/504207648.db2.gz YUXMJIRKPSMUOE-UHFFFAOYSA-N 2 1 374.573 3.369 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CC1 ZINC000544690150 504220569 /nfs/dbraw/zinc/22/05/69/504220569.db2.gz KIJWOJCFAGJGEI-SFHVURJKSA-N 2 1 372.538 3.412 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccccc2)c2cncnc2)C[C@H](C)O1 ZINC000541744145 504240477 /nfs/dbraw/zinc/24/04/77/504240477.db2.gz XFWLPCUSGNJDOG-UEXGIBASSA-N 2 1 354.498 3.045 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531318510 504264799 /nfs/dbraw/zinc/26/47/99/504264799.db2.gz TZBKLOUWIAXIIW-FHLIZLRMSA-N 2 1 366.937 3.067 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000531380850 504287771 /nfs/dbraw/zinc/28/77/71/504287771.db2.gz JQIWSIWFLVXAEA-MQVJKMGUSA-N 2 1 372.465 3.333 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CC(=O)Nc3ccccc3)CCCC2)CC1 ZINC000531384110 504288230 /nfs/dbraw/zinc/28/82/30/504288230.db2.gz LGVBDOZVPJALSR-GOSISDBHSA-N 2 1 373.541 3.417 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519652567 504290032 /nfs/dbraw/zinc/29/00/32/504290032.db2.gz SZHXLWHGDIJWBO-OAQYLSRUSA-N 2 1 357.542 3.089 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](CCC(C)(C)C)CC1)Cc1ccccc1 ZINC000531406008 504295727 /nfs/dbraw/zinc/29/57/27/504295727.db2.gz YVJGYQDDBNFVTA-UHFFFAOYSA-N 2 1 359.558 3.383 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528659702 504318148 /nfs/dbraw/zinc/31/81/48/504318148.db2.gz YEWDPINSTYNWHY-WSWWRLHASA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528659702 504318152 /nfs/dbraw/zinc/31/81/52/504318152.db2.gz YEWDPINSTYNWHY-WSWWRLHASA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528659702 504318157 /nfs/dbraw/zinc/31/81/57/504318157.db2.gz YEWDPINSTYNWHY-WSWWRLHASA-N 2 1 371.569 3.380 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000548162330 504353960 /nfs/dbraw/zinc/35/39/60/504353960.db2.gz YTJOLYUNEQPSLK-PBHICJAKSA-N 2 1 364.946 3.436 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000538749646 504356465 /nfs/dbraw/zinc/35/64/65/504356465.db2.gz YYPRSGXKWXUVOY-HXUWFJFHSA-N 2 1 356.514 3.318 20 0 FGADMP COc1ccc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1F ZINC000531710648 504400497 /nfs/dbraw/zinc/40/04/97/504400497.db2.gz LJICWRQPKPQONB-UTKZUKDTSA-N 2 1 371.500 3.474 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723896 504405178 /nfs/dbraw/zinc/40/51/78/504405178.db2.gz RDYYEUNVSRQPNF-UHIISALHSA-N 2 1 364.843 3.484 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725046 504405209 /nfs/dbraw/zinc/40/52/09/504405209.db2.gz GWSGCHGSHNBEDG-HZSPNIEDSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725046 504405211 /nfs/dbraw/zinc/40/52/11/504405211.db2.gz GWSGCHGSHNBEDG-HZSPNIEDSA-N 2 1 357.420 3.495 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000520122216 504415608 /nfs/dbraw/zinc/41/56/08/504415608.db2.gz YOZSGLLSTOINFU-NRFANRHFSA-N 2 1 351.494 3.202 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000531769470 504419506 /nfs/dbraw/zinc/41/95/06/504419506.db2.gz ZLEUPEIOLBLYPO-ROUUACIJSA-N 2 1 351.922 3.179 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000520168865 504424939 /nfs/dbraw/zinc/42/49/39/504424939.db2.gz CJUKSLSSBDGSPK-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccc(C(F)(F)F)c2)CC1 ZINC000520168865 504424941 /nfs/dbraw/zinc/42/49/41/504424941.db2.gz CJUKSLSSBDGSPK-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cncc(-c3ccccc3)c2)CC1 ZINC000531808855 504431383 /nfs/dbraw/zinc/43/13/83/504431383.db2.gz AHZLNYXTJJRFIX-UHFFFAOYSA-N 2 1 373.460 3.148 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2Cl)C[NH+]1CCCC1 ZINC000535506963 504454345 /nfs/dbraw/zinc/45/43/45/504454345.db2.gz FRHLNQLSKZKBGJ-BLLLJJGKSA-N 2 1 373.722 3.136 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCN(c2cnccn2)CC1 ZINC000531938102 504480907 /nfs/dbraw/zinc/48/09/07/504480907.db2.gz AOCKILUETAKNIU-UHFFFAOYSA-N 2 1 353.514 3.075 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)c1 ZINC000520379681 504484165 /nfs/dbraw/zinc/48/41/65/504484165.db2.gz JLWNRWGGBYWACP-LJQANCHMSA-N 2 1 359.901 3.321 20 0 FGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000539147288 504487868 /nfs/dbraw/zinc/48/78/68/504487868.db2.gz QDNDMJPHCOUVMZ-YSTOQKLRSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1CCC[C@@H](C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000539147288 504487873 /nfs/dbraw/zinc/48/78/73/504487873.db2.gz QDNDMJPHCOUVMZ-YSTOQKLRSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450690 504494382 /nfs/dbraw/zinc/49/43/82/504494382.db2.gz IEWXRZYOQVAHIX-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451780 504495510 /nfs/dbraw/zinc/49/55/10/504495510.db2.gz ORQMIQRSCKIAAK-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529462 504527935 /nfs/dbraw/zinc/52/79/35/504527935.db2.gz FFJMZWPAQYQCNE-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529462 504527941 /nfs/dbraw/zinc/52/79/41/504527941.db2.gz FFJMZWPAQYQCNE-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529372 504528661 /nfs/dbraw/zinc/52/86/61/504528661.db2.gz ZVZCVZCRDNJOFS-BBTUJRGHSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529372 504528664 /nfs/dbraw/zinc/52/86/64/504528664.db2.gz ZVZCVZCRDNJOFS-BBTUJRGHSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534343 504530531 /nfs/dbraw/zinc/53/05/31/504530531.db2.gz STQABIYTYDCYDE-NLWGTHIKSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534343 504530535 /nfs/dbraw/zinc/53/05/35/504530535.db2.gz STQABIYTYDCYDE-NLWGTHIKSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccs2)CC1 ZINC000542570540 504541736 /nfs/dbraw/zinc/54/17/36/504541736.db2.gz WCOWECCOJARPBA-KRWDZBQOSA-N 2 1 371.550 3.478 20 0 FGADMP CC[C@@H](C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCC1 ZINC000539364920 504542068 /nfs/dbraw/zinc/54/20/68/504542068.db2.gz JHGWVCBSOUOHMT-ICSRJNTNSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccs2)CC1 ZINC000542570541 504542085 /nfs/dbraw/zinc/54/20/85/504542085.db2.gz WCOWECCOJARPBA-QGZVFWFLSA-N 2 1 371.550 3.478 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639558 504547066 /nfs/dbraw/zinc/54/70/66/504547066.db2.gz FTRFCJOCIZHNFB-AZUAARDMSA-N 2 1 366.509 3.361 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000520639558 504547070 /nfs/dbraw/zinc/54/70/70/504547070.db2.gz FTRFCJOCIZHNFB-AZUAARDMSA-N 2 1 366.509 3.361 20 0 FGADMP CS(=O)(=O)c1ccc(CN2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000548791902 504568714 /nfs/dbraw/zinc/56/87/14/504568714.db2.gz UBBWQZJBYWOOHY-QGZVFWFLSA-N 2 1 373.522 3.003 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000542682647 504575116 /nfs/dbraw/zinc/57/51/16/504575116.db2.gz HHQMUWDXXLYUAN-IERDGZPVSA-N 2 1 355.526 3.105 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)c2ccccc2)CC1 ZINC000539485542 504586582 /nfs/dbraw/zinc/58/65/82/504586582.db2.gz GIKOCQNTGWHQCL-NRFANRHFSA-N 2 1 370.541 3.021 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290647 504621714 /nfs/dbraw/zinc/62/17/14/504621714.db2.gz UJBRJIVYRJXHGC-YLJYHZDGSA-N 2 1 370.541 3.002 20 0 FGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542848357 504633197 /nfs/dbraw/zinc/63/31/97/504633197.db2.gz KNAQAKOTXSMDAK-XLIONFOSSA-N 2 1 354.494 3.421 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484348 504693935 /nfs/dbraw/zinc/69/39/35/504693935.db2.gz WSHDOCJEMHWCIG-APWZRJJASA-N 2 1 363.933 3.153 20 0 FGADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484348 504693939 /nfs/dbraw/zinc/69/39/39/504693939.db2.gz WSHDOCJEMHWCIG-APWZRJJASA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484348 504693942 /nfs/dbraw/zinc/69/39/42/504693942.db2.gz WSHDOCJEMHWCIG-APWZRJJASA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484348 504693945 /nfs/dbraw/zinc/69/39/45/504693945.db2.gz WSHDOCJEMHWCIG-APWZRJJASA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484348 504693948 /nfs/dbraw/zinc/69/39/48/504693948.db2.gz WSHDOCJEMHWCIG-APWZRJJASA-N 2 1 363.933 3.153 20 0 FGADMP O[C@@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000546163979 504731080 /nfs/dbraw/zinc/73/10/80/504731080.db2.gz UWECTDPGXUTHOZ-VQTJNVASSA-N 2 1 359.901 3.065 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899338 504735073 /nfs/dbraw/zinc/73/50/73/504735073.db2.gz DRFQOPILYOGUIM-PZJWPPBQSA-N 2 1 371.569 3.466 20 0 FGADMP COc1cccc(C[N@H+](CCCn2cc[nH+]c2C)C2CCC(O)CC2)c1 ZINC000536476176 504744927 /nfs/dbraw/zinc/74/49/27/504744927.db2.gz PJXBCSISZGEBLL-UHFFFAOYSA-N 2 1 357.498 3.396 20 0 FGADMP COc1cccc(C[N@@H+](CCCn2cc[nH+]c2C)C2CCC(O)CC2)c1 ZINC000536476176 504744930 /nfs/dbraw/zinc/74/49/30/504744930.db2.gz PJXBCSISZGEBLL-UHFFFAOYSA-N 2 1 357.498 3.396 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000521487103 504746531 /nfs/dbraw/zinc/74/65/31/504746531.db2.gz VYXGAMJWPXZMHF-UXHICEINSA-N 2 1 369.509 3.443 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549261197 504776233 /nfs/dbraw/zinc/77/62/33/504776233.db2.gz JTEOQUNDJLJHJD-NHCUHLMSSA-N 2 1 374.569 3.302 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050340 504787377 /nfs/dbraw/zinc/78/73/77/504787377.db2.gz CHYSSPXBEWYEBI-BDTNDASRSA-N 2 1 359.558 3.158 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050340 504787382 /nfs/dbraw/zinc/78/73/82/504787382.db2.gz CHYSSPXBEWYEBI-BDTNDASRSA-N 2 1 359.558 3.158 20 0 FGADMP COCc1ccc(C[N@@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000559244300 504806609 /nfs/dbraw/zinc/80/66/09/504806609.db2.gz VDWXLWPNWZUIQF-UHFFFAOYSA-N 2 1 367.537 3.083 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000562523011 504845091 /nfs/dbraw/zinc/84/50/91/504845091.db2.gz SAUOMWFMBVGGEZ-UQASEVPWSA-N 2 1 365.481 3.485 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000559545785 504884109 /nfs/dbraw/zinc/88/41/09/504884109.db2.gz SSXSLDDGXXSVEY-UHFFFAOYSA-N 2 1 374.444 3.489 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000559545785 504884111 /nfs/dbraw/zinc/88/41/11/504884111.db2.gz SSXSLDDGXXSVEY-UHFFFAOYSA-N 2 1 374.444 3.489 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000559548547 504885066 /nfs/dbraw/zinc/88/50/66/504885066.db2.gz NEYXHBWCUYCMCW-DENIHFKCSA-N 2 1 374.488 3.461 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000549766121 504892115 /nfs/dbraw/zinc/89/21/15/504892115.db2.gz GOVUXKHSQJQBEO-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000549766121 504892116 /nfs/dbraw/zinc/89/21/16/504892116.db2.gz GOVUXKHSQJQBEO-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000549766121 504892118 /nfs/dbraw/zinc/89/21/18/504892118.db2.gz GOVUXKHSQJQBEO-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP CCc1cccc2c(C3CC[NH+](C[C@H](O)C[N@H+](C)C4CC4)CC3)c[nH]c21 ZINC000565683056 504957700 /nfs/dbraw/zinc/95/77/00/504957700.db2.gz KOKYJCRZUXTOLK-LJQANCHMSA-N 2 1 355.526 3.365 20 0 FGADMP CCc1cccc2c(C3CC[NH+](C[C@H](O)C[N@@H+](C)C4CC4)CC3)c[nH]c21 ZINC000565683056 504957703 /nfs/dbraw/zinc/95/77/03/504957703.db2.gz KOKYJCRZUXTOLK-LJQANCHMSA-N 2 1 355.526 3.365 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705067 504964051 /nfs/dbraw/zinc/96/40/51/504964051.db2.gz FULKMLNGRYOQQU-MSOLQXFVSA-N 2 1 370.541 3.451 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553679004 504980323 /nfs/dbraw/zinc/98/03/23/504980323.db2.gz QXWSWTWJKNWGIK-JOCHJYFZSA-N 2 1 365.477 3.361 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553679004 504980328 /nfs/dbraw/zinc/98/03/28/504980328.db2.gz QXWSWTWJKNWGIK-JOCHJYFZSA-N 2 1 365.477 3.361 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212245 504993053 /nfs/dbraw/zinc/99/30/53/504993053.db2.gz VXGKJOKTZITLOU-NQIIRXRSSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212245 504993056 /nfs/dbraw/zinc/99/30/56/504993056.db2.gz VXGKJOKTZITLOU-NQIIRXRSSA-N 2 1 369.484 3.034 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000562939785 504994734 /nfs/dbraw/zinc/99/47/34/504994734.db2.gz WFNMNRHTTPEQFK-JFZIVLOISA-N 2 1 369.553 3.168 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000562970038 505004390 /nfs/dbraw/zinc/00/43/90/505004390.db2.gz RXPXSRPBVYVNTJ-CQSZACIVSA-N 2 1 360.889 3.397 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000553777732 505007314 /nfs/dbraw/zinc/00/73/14/505007314.db2.gz HFBDFWOEKSGTIA-GHTZIAJQSA-N 2 1 372.557 3.295 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000562989056 505011691 /nfs/dbraw/zinc/01/16/91/505011691.db2.gz DRBAWSWVNQZHGH-OALUTQOASA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000562989056 505011694 /nfs/dbraw/zinc/01/16/94/505011694.db2.gz DRBAWSWVNQZHGH-OALUTQOASA-N 2 1 374.550 3.298 20 0 FGADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000560184336 505014298 /nfs/dbraw/zinc/01/42/98/505014298.db2.gz QJPIIWNVINYYLH-UJOPUZHASA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCC[C@H]1[C@H]1CCCO1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184336 505014299 /nfs/dbraw/zinc/01/42/99/505014299.db2.gz QJPIIWNVINYYLH-UJOPUZHASA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCC[C@H]1[C@H]1CCCO1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184336 505014301 /nfs/dbraw/zinc/01/43/01/505014301.db2.gz QJPIIWNVINYYLH-UJOPUZHASA-N 2 1 350.547 3.444 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000565909268 505023852 /nfs/dbraw/zinc/02/38/52/505023852.db2.gz DYMSCEYBNFZYKJ-AZUAARDMSA-N 2 1 367.484 3.337 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000565909268 505023857 /nfs/dbraw/zinc/02/38/57/505023857.db2.gz DYMSCEYBNFZYKJ-AZUAARDMSA-N 2 1 367.484 3.337 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563046618 505032324 /nfs/dbraw/zinc/03/23/24/505032324.db2.gz CDBJQLSIYQJFCF-IFMALSPDSA-N 2 1 371.569 3.179 20 0 FGADMP CC[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000563093016 505045618 /nfs/dbraw/zinc/04/56/18/505045618.db2.gz WLALNQKDLGDIGT-MWQHXSLNSA-N 2 1 369.553 3.093 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000563153057 505062167 /nfs/dbraw/zinc/06/21/67/505062167.db2.gz RXNFVQZZHUYKSR-OAQYLSRUSA-N 2 1 367.493 3.436 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000566056802 505067804 /nfs/dbraw/zinc/06/78/04/505067804.db2.gz IFXUGCDRNISQSP-UHFFFAOYSA-N 2 1 366.465 3.111 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069451 505080723 /nfs/dbraw/zinc/08/07/23/505080723.db2.gz RUZFUOTZCDCHEF-SQNIBIBYSA-N 2 1 374.447 3.396 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069451 505080726 /nfs/dbraw/zinc/08/07/26/505080726.db2.gz RUZFUOTZCDCHEF-SQNIBIBYSA-N 2 1 374.447 3.396 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000563262478 505090939 /nfs/dbraw/zinc/09/09/39/505090939.db2.gz OIBNVPHPEHVHSQ-OAQYLSRUSA-N 2 1 368.525 3.055 20 0 FGADMP c1ccc(-c2n[nH]c([C@@H]3CCC[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)cc1 ZINC000563271563 505092516 /nfs/dbraw/zinc/09/25/16/505092516.db2.gz XGKKXJWZOGOYGB-HXUWFJFHSA-N 2 1 373.504 3.497 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccs1 ZINC000566185390 505106739 /nfs/dbraw/zinc/10/67/39/505106739.db2.gz BOLZCCGXIVGVRC-LQWHRVPQSA-N 2 1 371.550 3.207 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000560521587 505113079 /nfs/dbraw/zinc/11/30/79/505113079.db2.gz VZKCIKQXCAQOAT-PYCJISIWSA-N 2 1 369.553 3.311 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccncc1F ZINC000550885619 505119680 /nfs/dbraw/zinc/11/96/80/505119680.db2.gz ITSHDJWJYOPJSF-DYESRHJHSA-N 2 1 356.489 3.250 20 0 FGADMP CC(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000560598968 505139356 /nfs/dbraw/zinc/13/93/56/505139356.db2.gz ZPGMPEFYOGWZJV-ITAUSPCMSA-N 2 1 372.553 3.461 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000554301364 505139864 /nfs/dbraw/zinc/13/98/64/505139864.db2.gz FEOMGBFDJQOGCJ-LAUBAEHRSA-N 2 1 351.494 3.235 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460185 505141043 /nfs/dbraw/zinc/14/10/43/505141043.db2.gz UAYLCCBDSJEBIY-LMMKCTJWSA-N 2 1 355.482 3.100 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)CC1 ZINC000557481639 505146766 /nfs/dbraw/zinc/14/67/66/505146766.db2.gz OYMOSNYZTOXRHJ-UHFFFAOYSA-N 2 1 373.585 3.268 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)ccc3OC)CC2)CC1 ZINC000566431002 505174282 /nfs/dbraw/zinc/17/42/82/505174282.db2.gz BXSNCEPGWFVNSR-UHFFFAOYSA-N 2 1 359.514 3.138 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000557615658 505183187 /nfs/dbraw/zinc/18/31/87/505183187.db2.gz WJUSPGQNIVYEQN-QFUCXCTJSA-N 2 1 361.574 3.362 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000563680621 505209750 /nfs/dbraw/zinc/20/97/50/505209750.db2.gz AQIJVTXSSOIFHL-WHVWYTALSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@H+]1CCCC[NH+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000563680621 505209752 /nfs/dbraw/zinc/20/97/52/505209752.db2.gz AQIJVTXSSOIFHL-WHVWYTALSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCCC[NH+]1CCC[C@H]1[C@H]1CCC[C@H]1O ZINC000563680621 505209755 /nfs/dbraw/zinc/20/97/55/505209755.db2.gz AQIJVTXSSOIFHL-WHVWYTALSA-N 2 1 364.574 3.017 20 0 FGADMP Clc1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000560997647 505225801 /nfs/dbraw/zinc/22/58/01/505225801.db2.gz HLPSLOHQBQDUSL-SFHVURJKSA-N 2 1 371.912 3.498 20 0 FGADMP Clc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000560997647 505225804 /nfs/dbraw/zinc/22/58/04/505225804.db2.gz HLPSLOHQBQDUSL-SFHVURJKSA-N 2 1 371.912 3.498 20 0 FGADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686363 505243850 /nfs/dbraw/zinc/24/38/50/505243850.db2.gz KVTATZHHAITGEJ-WBAXXEDZSA-N 2 1 374.447 3.027 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)CC2 ZINC000561206385 505279853 /nfs/dbraw/zinc/27/98/53/505279853.db2.gz QQMAUZBJKGXIQS-TZIWHRDSSA-N 2 1 366.509 3.016 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000555148161 505363906 /nfs/dbraw/zinc/36/39/06/505363906.db2.gz IKJZPPMTXQEDCY-QWFCFKBJSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000555148161 505363912 /nfs/dbraw/zinc/36/39/12/505363912.db2.gz IKJZPPMTXQEDCY-QWFCFKBJSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000555148161 505363917 /nfs/dbraw/zinc/36/39/17/505363917.db2.gz IKJZPPMTXQEDCY-QWFCFKBJSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162636 505367714 /nfs/dbraw/zinc/36/77/14/505367714.db2.gz RJGHQIOATYVVMK-SVFBPWRDSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162636 505367718 /nfs/dbraw/zinc/36/77/18/505367718.db2.gz RJGHQIOATYVVMK-SVFBPWRDSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162636 505367725 /nfs/dbraw/zinc/36/77/25/505367725.db2.gz RJGHQIOATYVVMK-SVFBPWRDSA-N 2 1 374.573 3.459 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294120 505374802 /nfs/dbraw/zinc/37/48/02/505374802.db2.gz WMQOGSIDKWGYOH-MJGOQNOKSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294120 505374806 /nfs/dbraw/zinc/37/48/06/505374806.db2.gz WMQOGSIDKWGYOH-MJGOQNOKSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCO[C@H]3CCCCO3)C2)s1 ZINC000564294120 505374808 /nfs/dbraw/zinc/37/48/08/505374808.db2.gz WMQOGSIDKWGYOH-MJGOQNOKSA-N 2 1 352.544 3.353 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(OC)c(O)c(OC)c1 ZINC000564315829 505380679 /nfs/dbraw/zinc/38/06/79/505380679.db2.gz XEMYOIWHDSYPRS-UHFFFAOYSA-N 2 1 358.482 3.493 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(OC[C@H]2CCOC2)c1 ZINC000552046302 505381030 /nfs/dbraw/zinc/38/10/30/505381030.db2.gz CNHQZIWMXPLLQJ-MJUUVYJYSA-N 2 1 358.526 3.373 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213823 505381253 /nfs/dbraw/zinc/38/12/53/505381253.db2.gz CAACIAMSRVPZFK-FQEVSTJZSA-N 2 1 374.573 3.269 20 0 FGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552047642 505381318 /nfs/dbraw/zinc/38/13/18/505381318.db2.gz TWXVVTVUEWKMHB-OFOKGCAXSA-N 2 1 362.583 3.379 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)c1 ZINC000567176445 505385570 /nfs/dbraw/zinc/38/55/70/505385570.db2.gz FNOAWIBXIJZTLL-LJQANCHMSA-N 2 1 359.901 3.321 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000564336844 505387845 /nfs/dbraw/zinc/38/78/45/505387845.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000564336844 505387849 /nfs/dbraw/zinc/38/78/49/505387849.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000564336844 505387854 /nfs/dbraw/zinc/38/78/54/505387854.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000564336844 505387856 /nfs/dbraw/zinc/38/78/56/505387856.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000564336844 505387860 /nfs/dbraw/zinc/38/78/60/505387860.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000564336844 505387863 /nfs/dbraw/zinc/38/78/63/505387863.db2.gz BXARUYJWBYXSRH-HKUYNNGSSA-N 2 1 370.541 3.252 20 0 FGADMP CC[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000558517555 505414669 /nfs/dbraw/zinc/41/46/69/505414669.db2.gz HPUBVHZZQFTTSR-FQEVSTJZSA-N 2 1 366.509 3.031 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](C3CCC(C(C)C)CC3)CC1)C2 ZINC000558541153 505419174 /nfs/dbraw/zinc/41/91/74/505419174.db2.gz GXVOCAZJYFYWGR-IOJLRTSASA-N 2 1 372.557 3.113 20 0 FGADMP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567337014 505434520 /nfs/dbraw/zinc/43/45/20/505434520.db2.gz LCENKUJTIZSSJO-RTWAWAEBSA-N 2 1 372.557 3.059 20 0 FGADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250873 505440725 /nfs/dbraw/zinc/44/07/25/505440725.db2.gz DHWGHFHNDAPSNQ-BXXSPATCSA-N 2 1 374.569 3.300 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000561849669 505449948 /nfs/dbraw/zinc/44/99/48/505449948.db2.gz GYADIVGUKWCEOU-GCJKJVERSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000561849669 505449950 /nfs/dbraw/zinc/44/99/50/505449950.db2.gz GYADIVGUKWCEOU-GCJKJVERSA-N 2 1 350.506 3.159 20 0 FGADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3cccc(F)c3F)o2)CC1 ZINC000567418721 505456969 /nfs/dbraw/zinc/45/69/69/505456969.db2.gz CMNPDIDBFMYYNO-UHFFFAOYSA-N 2 1 363.452 3.342 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558097 505457079 /nfs/dbraw/zinc/45/70/79/505457079.db2.gz GEESCFMPFXLBPW-ROUUACIJSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558097 505457082 /nfs/dbraw/zinc/45/70/82/505457082.db2.gz GEESCFMPFXLBPW-ROUUACIJSA-N 2 1 359.514 3.283 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000558735322 505478070 /nfs/dbraw/zinc/47/80/70/505478070.db2.gz LYKXMZCHLUOEJZ-FQEVSTJZSA-N 2 1 357.542 3.326 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000558735322 505478073 /nfs/dbraw/zinc/47/80/73/505478073.db2.gz LYKXMZCHLUOEJZ-FQEVSTJZSA-N 2 1 357.542 3.326 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000567532282 505490129 /nfs/dbraw/zinc/49/01/29/505490129.db2.gz RQSDHJFKDXVQJS-ZJOUEHCJSA-N 2 1 364.493 3.296 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2ccccc2C)cc1F ZINC000552495430 505503472 /nfs/dbraw/zinc/50/34/72/505503472.db2.gz XXKGFEUSRZXPHJ-SFHVURJKSA-N 2 1 369.440 3.158 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000562120520 505523552 /nfs/dbraw/zinc/52/35/52/505523552.db2.gz MCZPZJNVLUPVEZ-BGYRXZFFSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564822922 505529477 /nfs/dbraw/zinc/52/94/77/505529477.db2.gz QBYCJWRXBCOUGN-HOTGVXAUSA-N 2 1 350.528 3.053 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324519 506412589 /nfs/dbraw/zinc/41/25/89/506412589.db2.gz ZTMVHRXTRFBCQY-GCJKJVERSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324519 506412592 /nfs/dbraw/zinc/41/25/92/506412592.db2.gz ZTMVHRXTRFBCQY-GCJKJVERSA-N 2 1 365.521 3.161 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3ccccc3)[nH]2)CC1 ZINC000599528588 506487406 /nfs/dbraw/zinc/48/74/06/506487406.db2.gz XNZNZAOHHYOURV-UHFFFAOYSA-N 2 1 361.449 3.081 20 0 FGADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000582949039 506504747 /nfs/dbraw/zinc/50/47/47/506504747.db2.gz ZABODMUETIMEIF-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP CC1(C)CCC[N@@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000582949039 506504749 /nfs/dbraw/zinc/50/47/49/506504749.db2.gz ZABODMUETIMEIF-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000582949039 506504753 /nfs/dbraw/zinc/50/47/53/506504753.db2.gz ZABODMUETIMEIF-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H]4CCC[C@H]4C3)CC2)CC1 ZINC000583033581 506552329 /nfs/dbraw/zinc/55/23/29/506552329.db2.gz HUCITQTVQICCAN-YZGWKJHDSA-N 2 1 361.574 3.268 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000583123510 506601760 /nfs/dbraw/zinc/60/17/60/506601760.db2.gz BHANPXHCHAFFGJ-RTWAWAEBSA-N 2 1 368.525 3.068 20 0 FGADMP CCN(CC)Cc1ccc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)o1 ZINC000599850725 506677869 /nfs/dbraw/zinc/67/78/69/506677869.db2.gz FPIYTDUOPYMKKY-GOSISDBHSA-N 2 1 369.509 3.468 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000604090873 506711399 /nfs/dbraw/zinc/71/13/99/506711399.db2.gz JNHWFXWIHGLBHL-XZOQPEGZSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000604090873 506711407 /nfs/dbraw/zinc/71/14/07/506711407.db2.gz JNHWFXWIHGLBHL-XZOQPEGZSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090873 506711411 /nfs/dbraw/zinc/71/14/11/506711411.db2.gz JNHWFXWIHGLBHL-XZOQPEGZSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090873 506711415 /nfs/dbraw/zinc/71/14/15/506711415.db2.gz JNHWFXWIHGLBHL-XZOQPEGZSA-N 2 1 352.522 3.495 20 0 FGADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000583316579 506713512 /nfs/dbraw/zinc/71/35/12/506713512.db2.gz WHCVNDUDQKWYJI-XUVXKRRUSA-N 2 1 371.456 3.260 20 0 FGADMP Fc1cccc(Oc2ncccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000583316577 506714207 /nfs/dbraw/zinc/71/42/07/506714207.db2.gz WHCVNDUDQKWYJI-SLFFLAALSA-N 2 1 371.456 3.260 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000604112284 506718575 /nfs/dbraw/zinc/71/85/75/506718575.db2.gz SMQCXFBCEHBARD-CTNGQTDRSA-N 2 1 372.557 3.071 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000583385014 506750309 /nfs/dbraw/zinc/75/03/09/506750309.db2.gz PNAADQSJUPHHHX-SFHVURJKSA-N 2 1 361.530 3.215 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000583385014 506750311 /nfs/dbraw/zinc/75/03/11/506750311.db2.gz PNAADQSJUPHHHX-SFHVURJKSA-N 2 1 361.530 3.215 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000583385014 506750318 /nfs/dbraw/zinc/75/03/18/506750318.db2.gz PNAADQSJUPHHHX-SFHVURJKSA-N 2 1 361.530 3.215 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604204384 506752932 /nfs/dbraw/zinc/75/29/32/506752932.db2.gz FTQVUYCSVPAHOW-OAQYLSRUSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565149 506852084 /nfs/dbraw/zinc/85/20/84/506852084.db2.gz SJEAYWKSAJPRDV-KLDKWKSESA-N 2 1 369.553 3.063 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583696138 506921869 /nfs/dbraw/zinc/92/18/69/506921869.db2.gz GPRZJARIACDZFS-KRWDZBQOSA-N 2 1 355.526 3.407 20 0 FGADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1Cl ZINC000604773682 506937947 /nfs/dbraw/zinc/93/79/47/506937947.db2.gz YBVLIXFXRYMYNT-WMLDXEAASA-N 2 1 353.938 3.301 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604780683 506940647 /nfs/dbraw/zinc/94/06/47/506940647.db2.gz XAGDKDOYUUCYGX-OTWHNJEPSA-N 2 1 368.610 3.410 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863730 506965957 /nfs/dbraw/zinc/96/59/57/506965957.db2.gz DXNCDYSEEUACPI-KRWDZBQOSA-N 2 1 374.504 3.104 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000583920080 507050924 /nfs/dbraw/zinc/05/09/24/507050924.db2.gz FGBLAOCPODFFAS-FQEVSTJZSA-N 2 1 350.466 3.076 20 0 FGADMP COc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000583934516 507058451 /nfs/dbraw/zinc/05/84/51/507058451.db2.gz KXMKJJVIHQKMMY-MOPGFXCFSA-N 2 1 373.522 3.147 20 0 FGADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154643 507134554 /nfs/dbraw/zinc/13/45/54/507134554.db2.gz QPWIYKBCSWMTGB-HLAWJBBLSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854958 507148150 /nfs/dbraw/zinc/14/81/50/507148150.db2.gz YKGMGHQIECKASR-WOJBJXKFSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000600854958 507148156 /nfs/dbraw/zinc/14/81/56/507148156.db2.gz YKGMGHQIECKASR-WOJBJXKFSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000600854958 507148166 /nfs/dbraw/zinc/14/81/66/507148166.db2.gz YKGMGHQIECKASR-WOJBJXKFSA-N 2 1 374.573 3.461 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000605340121 507153855 /nfs/dbraw/zinc/15/38/55/507153855.db2.gz MHXDUAYNMQJGAH-RTBURBONSA-N 2 1 374.529 3.156 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000600979077 507213884 /nfs/dbraw/zinc/21/38/84/507213884.db2.gz IUWMDNQSDUIVIO-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000601016927 507228560 /nfs/dbraw/zinc/22/85/60/507228560.db2.gz URTLNWRCALQRNX-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000601016927 507228570 /nfs/dbraw/zinc/22/85/70/507228570.db2.gz URTLNWRCALQRNX-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000601016927 507228578 /nfs/dbraw/zinc/22/85/78/507228578.db2.gz URTLNWRCALQRNX-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000601016927 507228585 /nfs/dbraw/zinc/22/85/85/507228585.db2.gz URTLNWRCALQRNX-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[NH+](C)C1CC1 ZINC000591554643 507289746 /nfs/dbraw/zinc/28/97/46/507289746.db2.gz CEWHMVDOZJBDNI-ZWKOTPCHSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@H+](C)C1CC1 ZINC000591554643 507289754 /nfs/dbraw/zinc/28/97/54/507289754.db2.gz CEWHMVDOZJBDNI-ZWKOTPCHSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000591554643 507289762 /nfs/dbraw/zinc/28/97/62/507289762.db2.gz CEWHMVDOZJBDNI-ZWKOTPCHSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591559493 507291281 /nfs/dbraw/zinc/29/12/81/507291281.db2.gz SFVADDXASBHTBI-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000591573620 507298202 /nfs/dbraw/zinc/29/82/02/507298202.db2.gz GCUCLVIFIAPHMY-IYWMVGAKSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000601290193 507324529 /nfs/dbraw/zinc/32/45/29/507324529.db2.gz IBQMKJVKWXYYAM-NHCUHLMSSA-N 2 1 372.557 3.306 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000601297720 507326359 /nfs/dbraw/zinc/32/63/59/507326359.db2.gz UHARMNXCTRMXMT-GOSISDBHSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@](C)(C[NH3+])C2)C1 ZINC000584458675 507357066 /nfs/dbraw/zinc/35/70/66/507357066.db2.gz AXDGTDXZYWGBDH-SVMVAKDDSA-N 2 1 372.557 3.045 20 0 FGADMP O=C(Nc1ccc2nccn2c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000606581379 507449157 /nfs/dbraw/zinc/44/91/57/507449157.db2.gz AVOZDGJZQUUGNO-UHFFFAOYSA-N 2 1 367.428 3.213 20 0 FGADMP O=C(Nc1ccc2nccn2c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000606581379 507449167 /nfs/dbraw/zinc/44/91/67/507449167.db2.gz AVOZDGJZQUUGNO-UHFFFAOYSA-N 2 1 367.428 3.213 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000584799513 507511008 /nfs/dbraw/zinc/51/10/08/507511008.db2.gz LKDNMDYDOUQCMW-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000607280659 507678186 /nfs/dbraw/zinc/67/81/86/507678186.db2.gz HNSPSHNYQXWURM-KDURUIRLSA-N 2 1 357.542 3.408 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602485134 507721855 /nfs/dbraw/zinc/72/18/55/507721855.db2.gz QVPAILWSTUMEIU-IBGZPJMESA-N 2 1 369.475 3.392 20 0 FGADMP COC(=O)c1csc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000602520716 507737307 /nfs/dbraw/zinc/73/73/07/507737307.db2.gz IPRALNBAGKPPCP-HNNXBMFYSA-N 2 1 374.506 3.045 20 0 FGADMP COC(=O)c1csc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000602520716 507737312 /nfs/dbraw/zinc/73/73/12/507737312.db2.gz IPRALNBAGKPPCP-HNNXBMFYSA-N 2 1 374.506 3.045 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[C@@H]1[NH3+] ZINC000669117728 568032003 /nfs/dbraw/zinc/03/20/03/568032003.db2.gz AEYIMSTZVIGQTE-UIFIKXQLSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000636954822 568225703 /nfs/dbraw/zinc/22/57/03/568225703.db2.gz VIGQMNOCUWGBLJ-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033781 568314254 /nfs/dbraw/zinc/31/42/54/568314254.db2.gz LYYWVVMTZRAWLX-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H]1CCCCN1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000655532240 568394231 /nfs/dbraw/zinc/39/42/31/568394231.db2.gz UBTZRQMLNGRRIZ-SFHVURJKSA-N 2 1 364.578 3.109 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820665243 606203579 /nfs/dbraw/zinc/20/35/79/606203579.db2.gz FEPWSLJPJNFDDG-OXJNMPFZSA-N 2 1 362.481 3.009 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820665243 606203581 /nfs/dbraw/zinc/20/35/81/606203581.db2.gz FEPWSLJPJNFDDG-OXJNMPFZSA-N 2 1 362.481 3.009 20 0 FGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419675 608447989 /nfs/dbraw/zinc/44/79/89/608447989.db2.gz RLHCSCKPYPGNHN-OAHLLOKOSA-N 2 1 353.474 3.235 20 0 FGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419675 608447991 /nfs/dbraw/zinc/44/79/91/608447991.db2.gz RLHCSCKPYPGNHN-OAHLLOKOSA-N 2 1 353.474 3.235 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945298 609326348 /nfs/dbraw/zinc/32/63/48/609326348.db2.gz BBNMFNBETTVZDR-GJZGRUSLSA-N 2 1 360.481 3.169 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000824529335 609350345 /nfs/dbraw/zinc/35/03/45/609350345.db2.gz GEPGIOHGWCPFJU-YCPHGPKFSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824529335 609350347 /nfs/dbraw/zinc/35/03/47/609350347.db2.gz GEPGIOHGWCPFJU-YCPHGPKFSA-N 2 1 372.492 3.309 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000120410787 700654325 /nfs/dbraw/zinc/65/43/25/700654325.db2.gz GQMDVINVQYGJLJ-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000120410787 700654327 /nfs/dbraw/zinc/65/43/27/700654327.db2.gz GQMDVINVQYGJLJ-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000128192047 700772073 /nfs/dbraw/zinc/77/20/73/700772073.db2.gz SBRBOWCGLSKDOW-ZFWWWQNUSA-N 2 1 371.497 3.239 20 0 FGADMP CCCCn1nc(C)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1Cl ZINC000134085430 704811949 /nfs/dbraw/zinc/81/19/49/704811949.db2.gz GNWAVJKHTSIOMS-UHFFFAOYSA-N 2 1 368.953 3.189 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000152651004 704969573 /nfs/dbraw/zinc/96/95/73/704969573.db2.gz WGJLGCYZCVLIGW-CQSZACIVSA-N 2 1 352.910 3.306 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953943 705479221 /nfs/dbraw/zinc/47/92/21/705479221.db2.gz IAIHEOBLDRJSEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953943 705479229 /nfs/dbraw/zinc/47/92/29/705479229.db2.gz IAIHEOBLDRJSEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953943 705479233 /nfs/dbraw/zinc/47/92/33/705479233.db2.gz IAIHEOBLDRJSEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953943 705479236 /nfs/dbraw/zinc/47/92/36/705479236.db2.gz IAIHEOBLDRJSEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953943 705479240 /nfs/dbraw/zinc/47/92/40/705479240.db2.gz IAIHEOBLDRJSEE-IRXDYDNUSA-N 2 1 355.320 3.289 20 0 FGADMP Oc1ccc(Cl)c(F)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000191412869 712835620 /nfs/dbraw/zinc/83/56/20/712835620.db2.gz ULTJMSFOZKECOE-UHFFFAOYSA-N 2 1 356.869 3.262 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000193470837 712892368 /nfs/dbraw/zinc/89/23/68/712892368.db2.gz AJXWVVVIACYKJD-UHFFFAOYSA-N 2 1 350.482 3.144 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000236590821 713581447 /nfs/dbraw/zinc/58/14/47/713581447.db2.gz JFIWIQHMDBENMR-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248399526 713648911 /nfs/dbraw/zinc/64/89/11/713648911.db2.gz JZVYTMNWGDVJLK-TXNPELCJSA-N 2 1 362.583 3.424 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666250 713656082 /nfs/dbraw/zinc/65/60/82/713656082.db2.gz NMTRZMZFERQSSN-ZWOKBUDYSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666250 713656085 /nfs/dbraw/zinc/65/60/85/713656085.db2.gz NMTRZMZFERQSSN-ZWOKBUDYSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000248666250 713656088 /nfs/dbraw/zinc/65/60/88/713656088.db2.gz NMTRZMZFERQSSN-ZWOKBUDYSA-N 2 1 353.551 3.296 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2cscc2Br)CC1 ZINC000285572502 713764461 /nfs/dbraw/zinc/76/44/61/713764461.db2.gz WGJNSNLXSQBEAG-UHFFFAOYSA-N 2 1 360.365 3.018 20 0 FGADMP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000294716675 713775399 /nfs/dbraw/zinc/77/53/99/713775399.db2.gz BRNPTRCDXHOOSF-OXJNMPFZSA-N 2 1 364.555 3.017 20 0 FGADMP C[NH+](C)C1(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CCCCC1 ZINC000301531391 713782205 /nfs/dbraw/zinc/78/22/05/713782205.db2.gz BWIYNXODOCPSTL-UHFFFAOYSA-N 2 1 353.551 3.488 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641784152 717929762 /nfs/dbraw/zinc/92/97/62/717929762.db2.gz RFAAWJFRSYUYRM-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374309054 713912515 /nfs/dbraw/zinc/91/25/15/713912515.db2.gz HZEASHHQVXRWLF-DNVCBOLYSA-N 2 1 358.917 3.350 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000521624611 714140841 /nfs/dbraw/zinc/14/08/41/714140841.db2.gz RJPWRRIVHNBPAN-QGZVFWFLSA-N 2 1 356.297 3.398 20 0 FGADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000531959573 714426210 /nfs/dbraw/zinc/42/62/10/714426210.db2.gz HBWZYLIHRQSUEA-OAHLLOKOSA-N 2 1 351.922 3.265 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccc(F)cc2s1 ZINC000617503310 714662654 /nfs/dbraw/zinc/66/26/54/714662654.db2.gz DLBOQURMKSVCLC-ZDUSSCGKSA-N 2 1 351.491 3.042 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2ccc(F)cc2s1 ZINC000617503310 714662655 /nfs/dbraw/zinc/66/26/55/714662655.db2.gz DLBOQURMKSVCLC-ZDUSSCGKSA-N 2 1 351.491 3.042 20 0 FGADMP Brc1ccc(-c2n[nH]cc2CNCC[NH+]2CCCC2)s1 ZINC000623339832 715314575 /nfs/dbraw/zinc/31/45/75/715314575.db2.gz LSWIUIZFIWVYHG-UHFFFAOYSA-N 2 1 355.305 3.086 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623625066 715374258 /nfs/dbraw/zinc/37/42/58/715374258.db2.gz IOHIGJWSFPRHNP-NZSAHSFTSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623625066 715374262 /nfs/dbraw/zinc/37/42/62/715374262.db2.gz IOHIGJWSFPRHNP-NZSAHSFTSA-N 2 1 351.485 3.359 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121253 715477156 /nfs/dbraw/zinc/47/71/56/715477156.db2.gz RFQQIFRFBBKHSC-IRXDYDNUSA-N 2 1 350.503 3.103 20 0 FGADMP CN1CCO[C@H]([C@H](NC[C@H]2CCCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122583 715477189 /nfs/dbraw/zinc/47/71/89/715477189.db2.gz WDOOKMVCKQVTEJ-LSTHTHJFSA-N 2 1 365.949 3.033 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969534 716194030 /nfs/dbraw/zinc/19/40/30/716194030.db2.gz ULAFLODURHVKCH-BLLLJJGKSA-N 2 1 358.313 3.054 20 0 FGADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc2cc(Br)ccc2o1 ZINC000629524449 716303856 /nfs/dbraw/zinc/30/38/56/716303856.db2.gz MIYULPYFULDHGL-NSHDSACASA-N 2 1 353.260 3.354 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H](n3cncn3)C(F)(F)F)CC2)C1 ZINC000631685798 716659459 /nfs/dbraw/zinc/65/94/59/716659459.db2.gz AIJMIHIUKRFBNT-BMFZPTHFSA-N 2 1 359.440 3.014 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765536 717193078 /nfs/dbraw/zinc/19/30/78/717193078.db2.gz DRUCEOWGYLMXBU-SOVGHPHASA-N 2 1 367.896 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765536 717193082 /nfs/dbraw/zinc/19/30/82/717193082.db2.gz DRUCEOWGYLMXBU-SOVGHPHASA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765536 717193086 /nfs/dbraw/zinc/19/30/86/717193086.db2.gz DRUCEOWGYLMXBU-SOVGHPHASA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765536 717193091 /nfs/dbraw/zinc/19/30/91/717193091.db2.gz DRUCEOWGYLMXBU-SOVGHPHASA-N 2 1 367.896 3.072 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295908 717431408 /nfs/dbraw/zinc/43/14/08/717431408.db2.gz YMFSDIGBBMWGLR-PKOBYXMFSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638295908 717431414 /nfs/dbraw/zinc/43/14/14/717431414.db2.gz YMFSDIGBBMWGLR-PKOBYXMFSA-N 2 1 367.896 3.119 20 0 FGADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638369284 717440636 /nfs/dbraw/zinc/44/06/36/717440636.db2.gz QOZPEIWMPCQTAJ-ZWKOTPCHSA-N 2 1 361.917 3.095 20 0 FGADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638369284 717440639 /nfs/dbraw/zinc/44/06/39/717440639.db2.gz QOZPEIWMPCQTAJ-ZWKOTPCHSA-N 2 1 361.917 3.095 20 0 FGADMP C[C@@H](c1cc(Cl)ccc1Cl)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641133313 717864408 /nfs/dbraw/zinc/86/44/08/717864408.db2.gz VMQBIEZIZBTTDO-LBPRGKRZSA-N 2 1 368.312 3.160 20 0 FGADMP C[C@H](c1cc(Cl)ccc1Cl)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641133312 717864499 /nfs/dbraw/zinc/86/44/99/717864499.db2.gz VMQBIEZIZBTTDO-GFCCVEGCSA-N 2 1 368.312 3.160 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000644521958 718117795 /nfs/dbraw/zinc/11/77/95/718117795.db2.gz JTBOLNFMQLRTTI-DLBZAZTESA-N 2 1 354.922 3.181 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530074 718119489 /nfs/dbraw/zinc/11/94/89/718119489.db2.gz LTZJXHYBJJHJOI-UONOGXRCSA-N 2 1 361.313 3.055 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530076 718119897 /nfs/dbraw/zinc/11/98/97/718119897.db2.gz LTZJXHYBJJHJOI-ZIAGYGMSSA-N 2 1 361.313 3.055 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644573776 718127304 /nfs/dbraw/zinc/12/73/04/718127304.db2.gz KYYRWPAIMHEDJY-AWEZNQCLSA-N 2 1 372.296 3.308 20 0 FGADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CC1 ZINC000644665533 718139555 /nfs/dbraw/zinc/13/95/55/718139555.db2.gz FAYLICVYWAEDPQ-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000645339368 718203704 /nfs/dbraw/zinc/20/37/04/718203704.db2.gz PXBTYXYDUACRNY-ZWKOTPCHSA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295154 718275949 /nfs/dbraw/zinc/27/59/49/718275949.db2.gz YWLRNGLFNFHLEC-RDJZCZTQSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295154 718275952 /nfs/dbraw/zinc/27/59/52/718275952.db2.gz YWLRNGLFNFHLEC-RDJZCZTQSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295163 718276121 /nfs/dbraw/zinc/27/61/21/718276121.db2.gz ZHDRWDUPOTXNAM-WMZOPIPTSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295163 718276122 /nfs/dbraw/zinc/27/61/22/718276122.db2.gz ZHDRWDUPOTXNAM-WMZOPIPTSA-N 2 1 367.896 3.391 20 0 FGADMP CCOc1ccc(Br)cc1C[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647884359 718383340 /nfs/dbraw/zinc/38/33/40/718383340.db2.gz HDXFVEBFFNOSOH-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP CCOc1ccc(Br)cc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000647884359 718383343 /nfs/dbraw/zinc/38/33/43/718383343.db2.gz HDXFVEBFFNOSOH-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975402 718390854 /nfs/dbraw/zinc/39/08/54/718390854.db2.gz ZVQDNPSEZJQEIL-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977947 718391757 /nfs/dbraw/zinc/39/17/57/718391757.db2.gz KBGZJEWXBYJADM-ZACQAIPSSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977947 718391758 /nfs/dbraw/zinc/39/17/58/718391758.db2.gz KBGZJEWXBYJADM-ZACQAIPSSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160448 718401832 /nfs/dbraw/zinc/40/18/32/718401832.db2.gz IFABYEXIYNZWPM-IAGOWNOFSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160448 718401833 /nfs/dbraw/zinc/40/18/33/718401833.db2.gz IFABYEXIYNZWPM-IAGOWNOFSA-N 2 1 367.896 3.391 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899646 718458082 /nfs/dbraw/zinc/45/80/82/718458082.db2.gz UNUQRNVYBYCHCU-ZTFGCOKTSA-N 2 1 351.922 3.179 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899646 718458084 /nfs/dbraw/zinc/45/80/84/718458084.db2.gz UNUQRNVYBYCHCU-ZTFGCOKTSA-N 2 1 351.922 3.179 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899646 718458086 /nfs/dbraw/zinc/45/80/86/718458086.db2.gz UNUQRNVYBYCHCU-ZTFGCOKTSA-N 2 1 351.922 3.179 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705862 718716732 /nfs/dbraw/zinc/71/67/32/718716732.db2.gz ZAONWZMPBOSSBY-UNEWFSDZSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705862 718716734 /nfs/dbraw/zinc/71/67/34/718716734.db2.gz ZAONWZMPBOSSBY-UNEWFSDZSA-N 2 1 371.294 3.307 20 0 FGADMP COc1ccc(Br)cc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650718859 718719502 /nfs/dbraw/zinc/71/95/02/718719502.db2.gz YHLGPECAZQHAKO-UHFFFAOYSA-N 2 1 353.235 3.345 20 0 FGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000650718708 718719626 /nfs/dbraw/zinc/71/96/26/718719626.db2.gz ULPGRCGXQFQHQR-UHFFFAOYSA-N 2 1 363.255 3.187 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722589 718720618 /nfs/dbraw/zinc/72/06/18/718720618.db2.gz XMARWODZYYCWNU-DJIMGWMZSA-N 2 1 368.905 3.218 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723578 718721249 /nfs/dbraw/zinc/72/12/49/718721249.db2.gz QILCCFNDASMKJK-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723578 718721251 /nfs/dbraw/zinc/72/12/51/718721251.db2.gz QILCCFNDASMKJK-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4C[C@]4([NH3+])C3)c2c1C ZINC001164419633 718896324 /nfs/dbraw/zinc/89/63/24/718896324.db2.gz IJDCYRQKPSLQGQ-QRWLVFNGSA-N 2 1 371.554 3.222 20 0 FGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363707 718937213 /nfs/dbraw/zinc/93/72/13/718937213.db2.gz LHESWSMMUJYSBH-YALNPMBYSA-N 2 1 353.532 3.101 20 0 FGADMP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363707 718937215 /nfs/dbraw/zinc/93/72/15/718937215.db2.gz LHESWSMMUJYSBH-YALNPMBYSA-N 2 1 353.532 3.101 20 0 FGADMP C[N@@H+](Cc1ccc(N2CC[C@@]3(C[NH2+]C[C@@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619196 719048530 /nfs/dbraw/zinc/04/85/30/719048530.db2.gz BZSKMEWJJNDLGQ-FYYLOGMGSA-N 2 1 362.521 3.259 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845932 719239700 /nfs/dbraw/zinc/23/97/00/719239700.db2.gz MMLKZXDOAWABDX-YJBOKZPZSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845932 719239703 /nfs/dbraw/zinc/23/97/03/719239703.db2.gz MMLKZXDOAWABDX-YJBOKZPZSA-N 2 1 351.922 3.133 20 0 FGADMP Clc1ccc(OCCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655701224 719327129 /nfs/dbraw/zinc/32/71/29/719327129.db2.gz CVKBEYJRXBBKFI-GOSISDBHSA-N 2 1 352.906 3.342 20 0 FGADMP Clc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655721925 719329631 /nfs/dbraw/zinc/32/96/31/719329631.db2.gz TYAFLLNKYMVZQH-UYAOXDASSA-N 2 1 363.933 3.152 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728022 719330549 /nfs/dbraw/zinc/33/05/49/719330549.db2.gz SXEUHGBLYIJOLG-QGZVFWFLSA-N 2 1 353.304 3.100 20 0 FGADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738036 719332513 /nfs/dbraw/zinc/33/25/13/719332513.db2.gz HJELCZGHDUXBBV-SYNHAJSKSA-N 2 1 350.478 3.135 20 0 FGADMP CSc1cc(Cl)ncc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685028 719616228 /nfs/dbraw/zinc/61/62/28/719616228.db2.gz QFBFRHVJAUQEOS-UHFFFAOYSA-N 2 1 365.934 3.129 20 0 FGADMP CSc1cc(Cl)ncc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685028 719616231 /nfs/dbraw/zinc/61/62/31/719616231.db2.gz QFBFRHVJAUQEOS-UHFFFAOYSA-N 2 1 365.934 3.129 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657432730 719649113 /nfs/dbraw/zinc/64/91/13/719649113.db2.gz QENRHYRCLDHTSK-SFHVURJKSA-N 2 1 353.491 3.153 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCC4)s3)cc2)C1 ZINC000657597698 719681277 /nfs/dbraw/zinc/68/12/77/719681277.db2.gz WSTXROMTSQREGK-SFHVURJKSA-N 2 1 357.523 3.267 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230274 719771743 /nfs/dbraw/zinc/77/17/43/719771743.db2.gz XKHLGPVAFVYZJU-ZVDOUQERSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230274 719771750 /nfs/dbraw/zinc/77/17/50/719771750.db2.gz XKHLGPVAFVYZJU-ZVDOUQERSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230274 719771754 /nfs/dbraw/zinc/77/17/54/719771754.db2.gz XKHLGPVAFVYZJU-ZVDOUQERSA-N 2 1 351.579 3.120 20 0 FGADMP OC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010309 719971634 /nfs/dbraw/zinc/97/16/34/719971634.db2.gz IFXCDFGOKVMWAI-UXHICEINSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010309 719971635 /nfs/dbraw/zinc/97/16/35/719971635.db2.gz IFXCDFGOKVMWAI-UXHICEINSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010309 719971638 /nfs/dbraw/zinc/97/16/38/719971638.db2.gz IFXCDFGOKVMWAI-UXHICEINSA-N 2 1 360.567 3.231 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656125 720092336 /nfs/dbraw/zinc/09/23/36/720092336.db2.gz PZLIBCIZSPSSPY-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656125 720092342 /nfs/dbraw/zinc/09/23/42/720092342.db2.gz PZLIBCIZSPSSPY-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656125 720092348 /nfs/dbraw/zinc/09/23/48/720092348.db2.gz PZLIBCIZSPSSPY-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656125 720092352 /nfs/dbraw/zinc/09/23/52/720092352.db2.gz PZLIBCIZSPSSPY-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258319 720406040 /nfs/dbraw/zinc/40/60/40/720406040.db2.gz ZKCKSCSGPDMKMN-YJBOKZPZSA-N 2 1 364.917 3.124 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1c1ccccc1Cl ZINC000662291349 720410443 /nfs/dbraw/zinc/41/04/43/720410443.db2.gz FDUMFPFXEWXXBC-QFBILLFUSA-N 2 1 361.917 3.157 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298740 720412096 /nfs/dbraw/zinc/41/20/96/720412096.db2.gz XKHGDKVWCZJHSN-CRAIPNDOSA-N 2 1 363.933 3.056 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662355949 720418137 /nfs/dbraw/zinc/41/81/37/720418137.db2.gz IOLAFTDGWRPFDU-MRXNPFEDSA-N 2 1 358.313 3.243 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512882 720437248 /nfs/dbraw/zinc/43/72/48/720437248.db2.gz MMFATCWSEJWNJE-BVPBIZIASA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512882 720437249 /nfs/dbraw/zinc/43/72/49/720437249.db2.gz MMFATCWSEJWNJE-BVPBIZIASA-N 2 1 367.896 3.247 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc(Cl)c1Cl ZINC000662523750 720438087 /nfs/dbraw/zinc/43/80/87/720438087.db2.gz SCVSFSAKQSSPPD-IGCXYCKISA-N 2 1 370.324 3.102 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474777 720518411 /nfs/dbraw/zinc/51/84/11/720518411.db2.gz QKHJTXVIGGEBIP-WMLDXEAASA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474777 720518413 /nfs/dbraw/zinc/51/84/13/720518413.db2.gz QKHJTXVIGGEBIP-WMLDXEAASA-N 2 1 359.436 3.327 20 0 FGADMP Cc1cc(C(F)(F)F)cc(N2CCC(OCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000663677617 720536992 /nfs/dbraw/zinc/53/69/92/720536992.db2.gz AANPYSPLNDKEFU-UHFFFAOYSA-N 2 1 357.420 3.490 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000664309082 720622790 /nfs/dbraw/zinc/62/27/90/720622790.db2.gz XQEDDZPQOZMGDV-KBPBESRZSA-N 2 1 372.916 3.111 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1c(F)cccc1Cl ZINC000664309082 720622792 /nfs/dbraw/zinc/62/27/92/720622792.db2.gz XQEDDZPQOZMGDV-KBPBESRZSA-N 2 1 372.916 3.111 20 0 FGADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)CC1 ZINC000665259953 720748002 /nfs/dbraw/zinc/74/80/02/720748002.db2.gz WFGLOPOEEDMHQX-WIOJKLDJSA-N 2 1 350.478 3.075 20 0 FGADMP COCCC[C@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000665278265 720749671 /nfs/dbraw/zinc/74/96/71/720749671.db2.gz ZOBQHYNLOLKQKE-PWZRNIHTSA-N 2 1 353.304 3.258 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cncc(Br)c2C)C1 ZINC000667681617 721155996 /nfs/dbraw/zinc/15/59/96/721155996.db2.gz MYIRRJGJAQOWKA-INIZCTEOSA-N 2 1 370.335 3.085 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncc(Br)c2C)C1 ZINC000667681617 721155999 /nfs/dbraw/zinc/15/59/99/721155999.db2.gz MYIRRJGJAQOWKA-INIZCTEOSA-N 2 1 370.335 3.085 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053238 721620130 /nfs/dbraw/zinc/62/01/30/721620130.db2.gz YICHWCPHQRBGAI-MSOLQXFVSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000672053238 721620132 /nfs/dbraw/zinc/62/01/32/721620132.db2.gz YICHWCPHQRBGAI-MSOLQXFVSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000672053238 721620133 /nfs/dbraw/zinc/62/01/33/721620133.db2.gz YICHWCPHQRBGAI-MSOLQXFVSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583846 722392021 /nfs/dbraw/zinc/39/20/21/722392021.db2.gz GWPQCENYRKLMNX-HXUWFJFHSA-N 2 1 356.535 3.173 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583846 722392023 /nfs/dbraw/zinc/39/20/23/722392023.db2.gz GWPQCENYRKLMNX-HXUWFJFHSA-N 2 1 356.535 3.173 20 0 FGADMP C[NH+](C[C@@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583846 722392025 /nfs/dbraw/zinc/39/20/25/722392025.db2.gz GWPQCENYRKLMNX-HXUWFJFHSA-N 2 1 356.535 3.173 20 0 FGADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583846 722392027 /nfs/dbraw/zinc/39/20/27/722392027.db2.gz GWPQCENYRKLMNX-HXUWFJFHSA-N 2 1 356.535 3.173 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802406 722409906 /nfs/dbraw/zinc/40/99/06/722409906.db2.gz IQTKMHWHKGWSQB-SQNIBIBYSA-N 2 1 353.551 3.391 20 0 FGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700802279 722409912 /nfs/dbraw/zinc/40/99/12/722409912.db2.gz HJQNIIVBGHLZJY-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667342 722613125 /nfs/dbraw/zinc/61/31/25/722613125.db2.gz IWJOIVNWSZKITF-MAUKXSAKSA-N 2 1 367.331 3.146 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667342 722613127 /nfs/dbraw/zinc/61/31/27/722613127.db2.gz IWJOIVNWSZKITF-MAUKXSAKSA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667342 722613128 /nfs/dbraw/zinc/61/31/28/722613128.db2.gz IWJOIVNWSZKITF-MAUKXSAKSA-N 2 1 367.331 3.146 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000746667342 722613131 /nfs/dbraw/zinc/61/31/31/722613131.db2.gz IWJOIVNWSZKITF-MAUKXSAKSA-N 2 1 367.331 3.146 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1Cl ZINC000750735444 722779442 /nfs/dbraw/zinc/77/94/42/722779442.db2.gz XJUPPCCVMMIEOJ-DXRVJIQQSA-N 2 1 363.933 3.228 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000750734479 722779492 /nfs/dbraw/zinc/77/94/92/722779492.db2.gz GQBWAQUJZBUKQB-ADYPVZHUSA-N 2 1 363.933 3.228 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161752 723040600 /nfs/dbraw/zinc/04/06/00/723040600.db2.gz ZXKSYLDIXKUYBA-ZDUSSCGKSA-N 2 1 373.372 3.500 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000763043580 723306274 /nfs/dbraw/zinc/30/62/74/723306274.db2.gz GLAQWRZROLPFLV-GOSISDBHSA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000763043580 723306275 /nfs/dbraw/zinc/30/62/75/723306275.db2.gz GLAQWRZROLPFLV-GOSISDBHSA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000763222553 723323904 /nfs/dbraw/zinc/32/39/04/723323904.db2.gz PUNCLDIGPLVPIF-WMLDXEAASA-N 2 1 367.896 3.072 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764639049 723433296 /nfs/dbraw/zinc/43/32/96/723433296.db2.gz CISWUWQNMJGJFG-OAHLLOKOSA-N 2 1 374.497 3.456 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796281175 723629950 /nfs/dbraw/zinc/62/99/50/723629950.db2.gz IKMKDVHSBFMHQC-LXPRWKDFSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)C1 ZINC000796570464 723644378 /nfs/dbraw/zinc/64/43/78/723644378.db2.gz JAFZUIBFTBWIHD-QYZOEREBSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)C1 ZINC000796570464 723644379 /nfs/dbraw/zinc/64/43/79/723644379.db2.gz JAFZUIBFTBWIHD-QYZOEREBSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000796570464 723644380 /nfs/dbraw/zinc/64/43/80/723644380.db2.gz JAFZUIBFTBWIHD-QYZOEREBSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000796570464 723644383 /nfs/dbraw/zinc/64/43/83/723644383.db2.gz JAFZUIBFTBWIHD-QYZOEREBSA-N 2 1 351.535 3.194 20 0 FGADMP CN(CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975235 723893664 /nfs/dbraw/zinc/89/36/64/723893664.db2.gz YZYUDFBXYGNESQ-AEFFLSMTSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975235 723893665 /nfs/dbraw/zinc/89/36/65/723893665.db2.gz YZYUDFBXYGNESQ-AEFFLSMTSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975235 723893666 /nfs/dbraw/zinc/89/36/66/723893666.db2.gz YZYUDFBXYGNESQ-AEFFLSMTSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975235 723893667 /nfs/dbraw/zinc/89/36/67/723893667.db2.gz YZYUDFBXYGNESQ-AEFFLSMTSA-N 2 1 351.535 3.192 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000798957334 723979943 /nfs/dbraw/zinc/97/99/43/723979943.db2.gz ADKLNVKHXLCUNI-UHFFFAOYSA-N 2 1 353.551 3.441 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176902 723995322 /nfs/dbraw/zinc/99/53/22/723995322.db2.gz FJPPDFCUSABZON-MRXNPFEDSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H]([NH2+]CC1CN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000800373012 724188217 /nfs/dbraw/zinc/18/82/17/724188217.db2.gz GBYVRUFOZCJYFY-WBVHZDCISA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCCC[C@H]1C ZINC000788526847 725070598 /nfs/dbraw/zinc/07/05/98/725070598.db2.gz FXCWZAMIEKLSAM-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCCC[C@H]1C ZINC000788526847 725070600 /nfs/dbraw/zinc/07/06/00/725070600.db2.gz FXCWZAMIEKLSAM-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000788529298 725070943 /nfs/dbraw/zinc/07/09/43/725070943.db2.gz XODRIUORKQRNQZ-HZPDHXFCSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000788529298 725070947 /nfs/dbraw/zinc/07/09/47/725070947.db2.gz XODRIUORKQRNQZ-HZPDHXFCSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788538175 725071609 /nfs/dbraw/zinc/07/16/09/725071609.db2.gz FLLXFDFIHFXRTD-QAPCUYQASA-N 2 1 353.551 3.342 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)[C@@H](C)C1 ZINC000788612726 725075982 /nfs/dbraw/zinc/07/59/82/725075982.db2.gz VAGNPQORLDTMEK-XIRDDKMYSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)[C@@H](C)C1 ZINC000788612726 725075985 /nfs/dbraw/zinc/07/59/85/725075985.db2.gz VAGNPQORLDTMEK-XIRDDKMYSA-N 2 1 351.922 3.449 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000808726323 725214945 /nfs/dbraw/zinc/21/49/45/725214945.db2.gz YEENGUVCRISIQS-XSLAGTTESA-N 2 1 353.551 3.390 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)C1 ZINC000809945942 725277418 /nfs/dbraw/zinc/27/74/18/725277418.db2.gz IFPQGIFPYAISIP-KZNAEPCWSA-N 2 1 353.551 3.201 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115596 725289703 /nfs/dbraw/zinc/28/97/03/725289703.db2.gz LCANAGMLYKYQDB-VQIMIIECSA-N 2 1 369.550 3.460 20 0 FGADMP CC(C)C[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466622 725367476 /nfs/dbraw/zinc/36/74/76/725367476.db2.gz UQRYVPICJCMAPQ-QZTJIDSGSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466622 725367477 /nfs/dbraw/zinc/36/74/77/725367477.db2.gz UQRYVPICJCMAPQ-QZTJIDSGSA-N 2 1 353.551 3.344 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC000815135635 727043418 /nfs/dbraw/zinc/04/34/18/727043418.db2.gz YRELUPNBRAJZBJ-YTQUADARSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC000815135635 727043420 /nfs/dbraw/zinc/04/34/20/727043420.db2.gz YRELUPNBRAJZBJ-YTQUADARSA-N 2 1 358.917 3.464 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143698 727044677 /nfs/dbraw/zinc/04/46/77/727044677.db2.gz CPDWGNHKUNKTQZ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143698 727044681 /nfs/dbraw/zinc/04/46/81/727044681.db2.gz CPDWGNHKUNKTQZ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143698 727044687 /nfs/dbraw/zinc/04/46/87/727044687.db2.gz CPDWGNHKUNKTQZ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143698 727044688 /nfs/dbraw/zinc/04/46/88/727044688.db2.gz CPDWGNHKUNKTQZ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817985872 727290649 /nfs/dbraw/zinc/29/06/49/727290649.db2.gz NRCWWLCZJGKAHB-TZMCWYRMSA-N 2 1 358.454 3.008 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1Cc1c(Cl)n(C)nc1C(F)(F)F)CC[NH2+]CC2 ZINC000818340146 727308293 /nfs/dbraw/zinc/30/82/93/727308293.db2.gz IOSNDGINFUHOPM-SNVBAGLBSA-N 2 1 350.816 3.056 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1c(Cl)n(C)nc1C(F)(F)F)CC[NH2+]CC2 ZINC000818340146 727308295 /nfs/dbraw/zinc/30/82/95/727308295.db2.gz IOSNDGINFUHOPM-SNVBAGLBSA-N 2 1 350.816 3.056 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265035 727362668 /nfs/dbraw/zinc/36/26/68/727362668.db2.gz LAQSBVIBSAOCAJ-DYVFJYSZSA-N 2 1 361.313 3.117 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819278888 727363851 /nfs/dbraw/zinc/36/38/51/727363851.db2.gz SPMGMNFWNNZZGU-VMBOVVBDSA-N 2 1 358.404 3.225 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1Br ZINC000819355249 727370642 /nfs/dbraw/zinc/37/06/42/727370642.db2.gz PPXIIJXEOKNESI-KRWDZBQOSA-N 2 1 353.304 3.089 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000821387740 729082229 /nfs/dbraw/zinc/08/22/29/729082229.db2.gz WTOOGTAYDRFMJY-BZSNNMDCSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000821387740 729082234 /nfs/dbraw/zinc/08/22/34/729082234.db2.gz WTOOGTAYDRFMJY-BZSNNMDCSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@H](O)c1cccs1 ZINC000821387740 729082238 /nfs/dbraw/zinc/08/22/38/729082238.db2.gz WTOOGTAYDRFMJY-BZSNNMDCSA-N 2 1 354.560 3.117 20 0 FGADMP C[C@@H]1CN(Cc2cccc(C[NH2+]Cc3ccnc(Cl)c3F)c2)CCO1 ZINC000823709151 729300093 /nfs/dbraw/zinc/30/00/93/729300093.db2.gz LLVDXHPQZOMQLC-CQSZACIVSA-N 2 1 363.864 3.385 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566852 729815077 /nfs/dbraw/zinc/81/50/77/729815077.db2.gz TZSOQRRCVJNVTH-ZOBUZTSGSA-N 2 1 350.507 3.205 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+](C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000843055124 730574730 /nfs/dbraw/zinc/57/47/30/730574730.db2.gz RWIZTSSUARADCN-UHFFFAOYSA-N 2 1 361.511 3.432 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443554 730720059 /nfs/dbraw/zinc/72/00/59/730720059.db2.gz ZEJNREXOROEWOC-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000845923505 730909573 /nfs/dbraw/zinc/90/95/73/730909573.db2.gz RLXJZKIGRKCNMO-VYMRPNJYSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000845923505 730909574 /nfs/dbraw/zinc/90/95/74/730909574.db2.gz RLXJZKIGRKCNMO-VYMRPNJYSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927938 730910246 /nfs/dbraw/zinc/91/02/46/730910246.db2.gz ZESFNQBZYBRRML-VYMRPNJYSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927938 730910249 /nfs/dbraw/zinc/91/02/49/730910249.db2.gz ZESFNQBZYBRRML-VYMRPNJYSA-N 2 1 353.551 3.390 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1C ZINC000849065906 731225329 /nfs/dbraw/zinc/22/53/29/731225329.db2.gz HTHDRFBCXOXEPP-MRXNPFEDSA-N 2 1 352.910 3.016 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C)c1OC(F)F ZINC000850397296 731352190 /nfs/dbraw/zinc/35/21/90/731352190.db2.gz VFSBAMFRRRDCBQ-KRWDZBQOSA-N 2 1 354.441 3.248 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cscn3)C2)ccn1 ZINC000856604278 732040829 /nfs/dbraw/zinc/04/08/29/732040829.db2.gz LPJQHCOQBGRIST-IBGZPJMESA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@H+](CCc3cscn3)C2)ccn1 ZINC000856604278 732040837 /nfs/dbraw/zinc/04/08/37/732040837.db2.gz LPJQHCOQBGRIST-IBGZPJMESA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](CCc3cscn3)C2)ccn1 ZINC000856604278 732040841 /nfs/dbraw/zinc/04/08/41/732040841.db2.gz LPJQHCOQBGRIST-IBGZPJMESA-N 2 1 360.527 3.074 20 0 FGADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165438 732188461 /nfs/dbraw/zinc/18/84/61/732188461.db2.gz SZCBIXHSKPSQGG-GQIGUUNPSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165438 732188462 /nfs/dbraw/zinc/18/84/62/732188462.db2.gz SZCBIXHSKPSQGG-GQIGUUNPSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165438 732188463 /nfs/dbraw/zinc/18/84/63/732188463.db2.gz SZCBIXHSKPSQGG-GQIGUUNPSA-N 2 1 353.551 3.342 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872064069 735583160 /nfs/dbraw/zinc/58/31/60/735583160.db2.gz WKNBNSBQRMYORJ-PBHICJAKSA-N 2 1 364.287 3.093 20 0 FGADMP [NH3+][C@@H](C[C@@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157434 735596747 /nfs/dbraw/zinc/59/67/47/735596747.db2.gz ONOOJIMITOWZID-JSGCOSHPSA-N 2 1 360.424 3.294 20 0 FGADMP [NH3+][C@@H](C[C@@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157434 735596752 /nfs/dbraw/zinc/59/67/52/735596752.db2.gz ONOOJIMITOWZID-JSGCOSHPSA-N 2 1 360.424 3.294 20 0 FGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877089531 736186314 /nfs/dbraw/zinc/18/63/14/736186314.db2.gz NTULEBWEJUCEBQ-SJORKVTESA-N 2 1 363.889 3.339 20 0 FGADMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576874 737010173 /nfs/dbraw/zinc/01/01/73/737010173.db2.gz YOGXTOUKQFDDFE-WFASDCNBSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576874 737010181 /nfs/dbraw/zinc/01/01/81/737010181.db2.gz YOGXTOUKQFDDFE-WFASDCNBSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576874 737010190 /nfs/dbraw/zinc/01/01/90/737010190.db2.gz YOGXTOUKQFDDFE-WFASDCNBSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576874 737010196 /nfs/dbraw/zinc/01/01/96/737010196.db2.gz YOGXTOUKQFDDFE-WFASDCNBSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000879576874 737010198 /nfs/dbraw/zinc/01/01/98/737010198.db2.gz YOGXTOUKQFDDFE-WFASDCNBSA-N 2 1 356.297 3.348 20 0 FGADMP CC(C)C[N@H+](Cc1csc(-c2ccn(C)n2)n1)CC1CC[NH+](C)CC1 ZINC000879704241 737035197 /nfs/dbraw/zinc/03/51/97/737035197.db2.gz BPVQZAOGZHLNBP-UHFFFAOYSA-N 2 1 361.559 3.343 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884184140 737641375 /nfs/dbraw/zinc/64/13/75/737641375.db2.gz HHPDSXVNCDKIFW-MRXNPFEDSA-N 2 1 357.420 3.036 20 0 FGADMP Cc1[nH]c(C2CC[NH+](CCOCC(F)(F)C(F)(F)F)CC2)[nH+]c1C ZINC000886662331 739279801 /nfs/dbraw/zinc/27/98/01/739279801.db2.gz BNFCAHNRSVFUPM-UHFFFAOYSA-N 2 1 355.351 3.420 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000891459572 739904737 /nfs/dbraw/zinc/90/47/37/739904737.db2.gz BLQFSSRCUPRLKY-QGZVFWFLSA-N 2 1 366.575 3.121 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1C(F)(F)F ZINC000892606872 740022161 /nfs/dbraw/zinc/02/21/61/740022161.db2.gz FTWJKJWMZKLGKC-ZVDSWSACSA-N 2 1 362.436 3.113 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000897469160 742681469 /nfs/dbraw/zinc/68/14/69/742681469.db2.gz FEAHRAQVIWCOGM-KBXCAEBGSA-N 2 1 367.331 3.396 20 0 FGADMP C[NH+]1CCC2(CC[N@H+]2CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000899909982 743026384 /nfs/dbraw/zinc/02/63/84/743026384.db2.gz IPYTZSJMTIWQHY-UHFFFAOYSA-N 2 1 355.404 3.204 20 0 FGADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902390613 743739838 /nfs/dbraw/zinc/73/98/38/743739838.db2.gz OMCULOPYYCPPJZ-HNNXBMFYSA-N 2 1 358.935 3.001 20 0 FGADMP c1sc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1-c1ccncc1 ZINC000903122153 743809177 /nfs/dbraw/zinc/80/91/77/743809177.db2.gz WJEISIYBVZZTDM-ZNXRZULTSA-N 2 1 354.523 3.495 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Br)c1 ZINC000903167302 743815839 /nfs/dbraw/zinc/81/58/39/743815839.db2.gz XITCQQNKRMAVKM-NXCDMZCRSA-N 2 1 365.315 3.230 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3Br)C2)C1 ZINC000903461910 743853092 /nfs/dbraw/zinc/85/30/92/743853092.db2.gz ZZDNKCXDHWZIIY-XNRPHZJLSA-N 2 1 371.294 3.307 20 0 FGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756613 743881081 /nfs/dbraw/zinc/88/10/81/743881081.db2.gz UDQQIPXDIVBOCW-NXHRZFHOSA-N 2 1 354.416 3.263 20 0 FGADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000903972655 743907022 /nfs/dbraw/zinc/90/70/22/743907022.db2.gz JBHLAMVDMZWOMO-YOEHRIQHSA-N 2 1 367.331 3.301 20 0 FGADMP CC(C)([NH3+])c1ccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000904572722 743962905 /nfs/dbraw/zinc/96/29/05/743962905.db2.gz OLRMSKWBADHMKR-UHFFFAOYSA-N 2 1 358.511 3.122 20 0 FGADMP CC(C)([NH3+])c1ccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000904572722 743962907 /nfs/dbraw/zinc/96/29/07/743962907.db2.gz OLRMSKWBADHMKR-UHFFFAOYSA-N 2 1 358.511 3.122 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912885963 757392495 /nfs/dbraw/zinc/39/24/95/757392495.db2.gz JOXHZRCGPULJGR-LJQANCHMSA-N 2 1 361.917 3.001 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC([NH+]2CCC2)CC1 ZINC000912885963 757392510 /nfs/dbraw/zinc/39/25/10/757392510.db2.gz JOXHZRCGPULJGR-LJQANCHMSA-N 2 1 361.917 3.001 20 0 FGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921549807 758741422 /nfs/dbraw/zinc/74/14/22/758741422.db2.gz REFPHLWHQRVWKI-UHFFFAOYSA-N 2 1 351.292 3.304 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688961 758770591 /nfs/dbraw/zinc/77/05/91/758770591.db2.gz MVLBPIYLXOKYRU-KSZLIROESA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388385 758910392 /nfs/dbraw/zinc/91/03/92/758910392.db2.gz PLGQKSVZMGDBQC-BRSBDYLESA-N 2 1 367.331 3.018 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388172 758910636 /nfs/dbraw/zinc/91/06/36/758910636.db2.gz CMNHMBNXFCFXBV-RRCSTGOVSA-N 2 1 362.461 3.336 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@H]1C(C)C ZINC000922391833 758911843 /nfs/dbraw/zinc/91/18/43/758911843.db2.gz ACUAGDYWBZRLIF-YZDADXEPSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922394730 758913612 /nfs/dbraw/zinc/91/36/12/758913612.db2.gz SERXVTCKJTVSEF-YWTNHNAXSA-N 2 1 351.560 3.226 20 0 FGADMP C[N@@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923329884 759101924 /nfs/dbraw/zinc/10/19/24/759101924.db2.gz ZUGUMDOLRAIHRB-RBEWDSDLSA-N 2 1 354.416 3.383 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382562 759109147 /nfs/dbraw/zinc/10/91/47/759109147.db2.gz CXKLHDQCDRYLIX-GDBMZVCRSA-N 2 1 356.432 3.073 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923480862 759128284 /nfs/dbraw/zinc/12/82/84/759128284.db2.gz KUTBQNDKRIOHJL-ZDUSSCGKSA-N 2 1 361.287 3.077 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1OC ZINC000923495277 759132332 /nfs/dbraw/zinc/13/23/32/759132332.db2.gz BECTZDUBNIQSOU-UKRRQHHQSA-N 2 1 361.511 3.244 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000925588310 759510370 /nfs/dbraw/zinc/51/03/70/759510370.db2.gz PLMMWFKENDQJKC-WWDZGPRUSA-N 2 1 353.551 3.247 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931961292 761017801 /nfs/dbraw/zinc/01/78/01/761017801.db2.gz OHYLHFXSRKCXPQ-NVXWUHKLSA-N 2 1 350.507 3.064 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000931961292 761017812 /nfs/dbraw/zinc/01/78/12/761017812.db2.gz OHYLHFXSRKCXPQ-NVXWUHKLSA-N 2 1 350.507 3.064 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000983712753 763663459 /nfs/dbraw/zinc/66/34/59/763663459.db2.gz CAKBBFIFOIUJJT-DSLXNQLJSA-N 2 1 363.933 3.055 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188431 765144012 /nfs/dbraw/zinc/14/40/12/765144012.db2.gz AMVFPWNPWUZNCE-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001005406883 765468782 /nfs/dbraw/zinc/46/87/82/765468782.db2.gz JWADXFLOPNKTEO-UKRRQHHQSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001005406883 765468787 /nfs/dbraw/zinc/46/87/87/765468787.db2.gz JWADXFLOPNKTEO-UKRRQHHQSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001023994130 766047787 /nfs/dbraw/zinc/04/77/87/766047787.db2.gz ZIPNOJZRVADESV-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001027416325 766092306 /nfs/dbraw/zinc/09/23/06/766092306.db2.gz FBXOMMZRWLUTEG-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001027416325 766092308 /nfs/dbraw/zinc/09/23/08/766092308.db2.gz FBXOMMZRWLUTEG-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001027416325 766092316 /nfs/dbraw/zinc/09/23/16/766092316.db2.gz FBXOMMZRWLUTEG-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001033098322 766207510 /nfs/dbraw/zinc/20/75/10/766207510.db2.gz FOZAWOLSGXOXDE-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001033098322 766207513 /nfs/dbraw/zinc/20/75/13/766207513.db2.gz FOZAWOLSGXOXDE-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001033098322 766207515 /nfs/dbraw/zinc/20/75/15/766207515.db2.gz FOZAWOLSGXOXDE-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001033098322 766207517 /nfs/dbraw/zinc/20/75/17/766207517.db2.gz FOZAWOLSGXOXDE-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cccs3)CC2)CC[N@H+]1C ZINC001034649861 766244111 /nfs/dbraw/zinc/24/41/11/766244111.db2.gz YFSDLRDSIHKBEI-PBWTXFEYSA-N 2 1 363.571 3.038 20 0 FGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034939625 766250470 /nfs/dbraw/zinc/25/04/70/766250470.db2.gz HYLDLNJJWNVFRI-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001045044184 766504055 /nfs/dbraw/zinc/50/40/55/766504055.db2.gz WMSVVGSPXOBZFT-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001045444456 766537537 /nfs/dbraw/zinc/53/75/37/766537537.db2.gz BONZCHIQVZZILA-ZIAGYGMSSA-N 2 1 369.962 3.212 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)sc2C1 ZINC000098129827 210242490 /nfs/dbraw/zinc/24/24/90/210242490.db2.gz KWMHPVVTENVNDL-UHFFFAOYSA-N 2 1 370.522 3.369 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)c3cccc(C[NH+]4CCCC4)c3)sc2C1 ZINC000098129827 210242495 /nfs/dbraw/zinc/24/24/95/210242495.db2.gz KWMHPVVTENVNDL-UHFFFAOYSA-N 2 1 370.522 3.369 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629924 210116488 /nfs/dbraw/zinc/11/64/88/210116488.db2.gz ITYYAZABHDWTSL-QGQQZZQASA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629924 210116492 /nfs/dbraw/zinc/11/64/92/210116492.db2.gz ITYYAZABHDWTSL-QGQQZZQASA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629924 210116497 /nfs/dbraw/zinc/11/64/97/210116497.db2.gz ITYYAZABHDWTSL-QGQQZZQASA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328629924 210116501 /nfs/dbraw/zinc/11/65/01/210116501.db2.gz ITYYAZABHDWTSL-QGQQZZQASA-N 2 1 364.537 3.185 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)s1 ZINC000128286910 495073678 /nfs/dbraw/zinc/07/36/78/495073678.db2.gz HMQDSAHUPXSKLQ-ZDUSSCGKSA-N 2 1 360.365 3.189 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000570767227 505575829 /nfs/dbraw/zinc/57/58/29/505575829.db2.gz JDTSKNPNBQNCFJ-IBGZPJMESA-N 2 1 374.573 3.067 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000576748902 505584480 /nfs/dbraw/zinc/58/44/80/505584480.db2.gz FCXBOPJSAQBAHA-NRFANRHFSA-N 2 1 359.477 3.213 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)CC[N@H+]1C ZINC000573676191 505594190 /nfs/dbraw/zinc/59/41/90/505594190.db2.gz BHQTXIRREGBCIC-KURKYZTESA-N 2 1 351.494 3.228 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000573666833 505591642 /nfs/dbraw/zinc/59/16/42/505591642.db2.gz VXPHBSBIGAUDGL-MRXNPFEDSA-N 2 1 374.529 3.191 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000573666625 505591727 /nfs/dbraw/zinc/59/17/27/505591727.db2.gz PPUBCLBCZRBNBH-OALUTQOASA-N 2 1 354.498 3.130 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(F)c1 ZINC000568031332 505599985 /nfs/dbraw/zinc/59/99/85/505599985.db2.gz UQCPQPMWOCDPAT-IYBDPMFKSA-N 2 1 350.478 3.156 20 0 FGADMP Cc1ccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)N2CCOCC2)cc1 ZINC000579699581 505603899 /nfs/dbraw/zinc/60/38/99/505603899.db2.gz VWLDJRUMHCSIJZ-FKBYEOEOSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573721313 505604382 /nfs/dbraw/zinc/60/43/82/505604382.db2.gz JMAMARFKGIMVFY-OAHLLOKOSA-N 2 1 356.352 3.325 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000568052824 505604436 /nfs/dbraw/zinc/60/44/36/505604436.db2.gz JMVRNRAUKUNXLY-SFHVURJKSA-N 2 1 372.557 3.189 20 0 FGADMP CN(CCC[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1)CC[NH+](C)C ZINC000570965431 505622804 /nfs/dbraw/zinc/62/28/04/505622804.db2.gz NEHMLHVHMXPXQF-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1)CC[NH+](C)C ZINC000570965431 505622805 /nfs/dbraw/zinc/62/28/05/505622805.db2.gz NEHMLHVHMXPXQF-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP c1cncc([C@@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2cccnc2)c1 ZINC000573829035 505630665 /nfs/dbraw/zinc/63/06/65/505630665.db2.gz YVEOXPMDTLDUJP-VXKWHMMOSA-N 2 1 366.509 3.467 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000568166902 505632951 /nfs/dbraw/zinc/63/29/51/505632951.db2.gz WQHXZTQJAOGSEO-OAQYLSRUSA-N 2 1 354.542 3.415 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(F)c1 ZINC000580047537 505669712 /nfs/dbraw/zinc/66/97/12/505669712.db2.gz NPDBKWCOUDEMCT-GOSISDBHSA-N 2 1 370.472 3.133 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000075842835 493784215 /nfs/dbraw/zinc/78/42/15/493784215.db2.gz ZZJWYGNUFIRTGX-OXJNMPFZSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000075842835 493784219 /nfs/dbraw/zinc/78/42/19/493784219.db2.gz ZZJWYGNUFIRTGX-OXJNMPFZSA-N 2 1 361.505 3.198 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000068369952 493806317 /nfs/dbraw/zinc/80/63/17/493806317.db2.gz LUXJLCZUSDEMNZ-JOCHJYFZSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332010 493866923 /nfs/dbraw/zinc/86/69/23/493866923.db2.gz QMIXJWDWEQQBAX-QGZVFWFLSA-N 2 1 350.482 3.014 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050025592 493891716 /nfs/dbraw/zinc/89/17/16/493891716.db2.gz QEPKWNJDPSFMRW-QFIPXVFZSA-N 2 1 365.521 3.277 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](CC)CC ZINC000060335514 493923630 /nfs/dbraw/zinc/92/36/30/493923630.db2.gz NFVLNUKEXQQCLK-UXHICEINSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000574090617 505690987 /nfs/dbraw/zinc/69/09/87/505690987.db2.gz UIWCEIAJWDLEAL-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000052004538 493998647 /nfs/dbraw/zinc/99/86/47/493998647.db2.gz PEMRBPUMIGVKRV-UHFFFAOYSA-N 2 1 369.509 3.013 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000083170683 494002688 /nfs/dbraw/zinc/00/26/88/494002688.db2.gz NNNLGSRQMWHEJF-UHFFFAOYSA-N 2 1 357.420 3.496 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000052120114 494006124 /nfs/dbraw/zinc/00/61/24/494006124.db2.gz CBDRCSBYDOQKTA-UHFFFAOYSA-N 2 1 358.449 3.229 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000052524379 494035332 /nfs/dbraw/zinc/03/53/32/494035332.db2.gz ODMQUBDADLVYNW-DBXWQHBBSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000085400717 494120373 /nfs/dbraw/zinc/12/03/73/494120373.db2.gz AYDOETGCYIEAEH-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000086364890 494150207 /nfs/dbraw/zinc/15/02/07/494150207.db2.gz WSPPGYLWFNCDMU-QGZVFWFLSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1cccc2c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)coc21 ZINC000571315077 505705194 /nfs/dbraw/zinc/70/51/94/505705194.db2.gz AGHIKECCICEQIQ-UHFFFAOYSA-N 2 1 350.422 3.140 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000065469419 494201493 /nfs/dbraw/zinc/20/14/93/494201493.db2.gz UWLHYURNDOOPCG-SVFBPWRDSA-N 2 1 374.573 3.265 20 0 FGADMP C[NH+](C)C1(CNC(=O)NCC[N@H+](C)Cc2ccccc2)CCCCCC1 ZINC000065541537 494212130 /nfs/dbraw/zinc/21/21/30/494212130.db2.gz CKMSMPBYFITRJA-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000065867569 494248946 /nfs/dbraw/zinc/24/89/46/494248946.db2.gz FOHGHYPITHCQSR-MJGOQNOKSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000065867569 494248948 /nfs/dbraw/zinc/24/89/48/494248948.db2.gz FOHGHYPITHCQSR-MJGOQNOKSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000065867569 494248953 /nfs/dbraw/zinc/24/89/53/494248953.db2.gz FOHGHYPITHCQSR-MJGOQNOKSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000072808433 494255723 /nfs/dbraw/zinc/25/57/23/494255723.db2.gz VNZZWXQCRYHKES-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000072808433 494255728 /nfs/dbraw/zinc/25/57/28/494255728.db2.gz VNZZWXQCRYHKES-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000072808433 494255736 /nfs/dbraw/zinc/25/57/36/494255736.db2.gz VNZZWXQCRYHKES-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000072808433 494255739 /nfs/dbraw/zinc/25/57/39/494255739.db2.gz VNZZWXQCRYHKES-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](CC(C)C)CC2)CC1 ZINC000088678129 494255880 /nfs/dbraw/zinc/25/58/80/494255880.db2.gz FIANOTNVOJDFJQ-UHFFFAOYSA-N 3 1 372.601 3.429 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000043144378 494269609 /nfs/dbraw/zinc/26/96/09/494269609.db2.gz DMJJUCUAONOBKA-IRXDYDNUSA-N 2 1 366.575 3.162 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000078484941 494305699 /nfs/dbraw/zinc/30/56/99/494305699.db2.gz FUDKPRJXVIJWSP-MOPGFXCFSA-N 2 1 370.497 3.019 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000073027314 494307968 /nfs/dbraw/zinc/30/79/68/494307968.db2.gz NRYNXQQKTCUNBS-UHFFFAOYSA-N 2 1 357.542 3.409 20 0 FGADMP CC(C)(C)C(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000079026622 494394710 /nfs/dbraw/zinc/39/47/10/494394710.db2.gz HKDSBNJTWXVJQA-UHFFFAOYSA-N 2 1 371.569 3.320 20 0 FGADMP CCc1nc2cc(CNC(=O)CN3CCC(C)(C)C3)ccc2n1C1CC1 ZINC000577387502 505718466 /nfs/dbraw/zinc/71/84/66/505718466.db2.gz LGFHDLFWIJRRLK-UHFFFAOYSA-N 2 1 354.498 3.282 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000073661125 494408951 /nfs/dbraw/zinc/40/89/51/494408951.db2.gz POMGQZWTHGJJPX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000073661125 494408954 /nfs/dbraw/zinc/40/89/54/494408954.db2.gz POMGQZWTHGJJPX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000073661125 494408956 /nfs/dbraw/zinc/40/89/56/494408956.db2.gz POMGQZWTHGJJPX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073819631 494434116 /nfs/dbraw/zinc/43/41/16/494434116.db2.gz HNCILGIWFXBYBL-GHTZIAJQSA-N 2 1 372.557 3.243 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000073918082 494448114 /nfs/dbraw/zinc/44/81/14/494448114.db2.gz BKKGDHLMXBNPFR-HXUWFJFHSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000073918082 494448117 /nfs/dbraw/zinc/44/81/17/494448117.db2.gz BKKGDHLMXBNPFR-HXUWFJFHSA-N 2 1 360.546 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000073918082 494448120 /nfs/dbraw/zinc/44/81/20/494448120.db2.gz BKKGDHLMXBNPFR-HXUWFJFHSA-N 2 1 360.546 3.154 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCc1ccncc1 ZINC000577394414 505720121 /nfs/dbraw/zinc/72/01/21/505720121.db2.gz AGRDBKXQBBWWBF-JOCHJYFZSA-N 2 1 367.493 3.245 20 0 FGADMP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCc1ccncc1 ZINC000577394414 505720125 /nfs/dbraw/zinc/72/01/25/505720125.db2.gz AGRDBKXQBBWWBF-JOCHJYFZSA-N 2 1 367.493 3.245 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526258 494478537 /nfs/dbraw/zinc/47/85/37/494478537.db2.gz CTSNZVBIQOUZKU-CCKFTAQKSA-N 2 1 350.478 3.253 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000074166469 494490827 /nfs/dbraw/zinc/49/08/27/494490827.db2.gz TUODHVYYDSTJMX-UHFFFAOYSA-N 2 1 354.498 3.177 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](O)Cc1ccccc1 ZINC000090653669 494490967 /nfs/dbraw/zinc/49/09/67/494490967.db2.gz KQOVGMQEBAMUIA-MBSDFSHPSA-N 2 1 370.512 3.414 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000079733757 494517837 /nfs/dbraw/zinc/51/78/37/494517837.db2.gz CKFSJRNJZRFULM-FPOVZHCZSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(C)(=O)=O)cc2)c1 ZINC000067450032 494543343 /nfs/dbraw/zinc/54/33/43/494543343.db2.gz JTJWJYLDNULJBS-UHFFFAOYSA-N 2 1 360.523 3.220 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336509 494586408 /nfs/dbraw/zinc/58/64/08/494586408.db2.gz BACAGMKTPCRLNG-GDBMZVCRSA-N 2 1 364.921 3.114 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000080095240 494592618 /nfs/dbraw/zinc/59/26/18/494592618.db2.gz MAOMGJMXDRQQDL-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)CC1 ZINC000074792018 494602961 /nfs/dbraw/zinc/60/29/61/494602961.db2.gz LVTRNPYJIXUKGP-IHWFROFDSA-N 2 1 364.578 3.155 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000074792018 494602969 /nfs/dbraw/zinc/60/29/69/494602969.db2.gz LVTRNPYJIXUKGP-IHWFROFDSA-N 2 1 364.578 3.155 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000074792018 494602976 /nfs/dbraw/zinc/60/29/76/494602976.db2.gz LVTRNPYJIXUKGP-IHWFROFDSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121124779 494606939 /nfs/dbraw/zinc/60/69/39/494606939.db2.gz WPJGOAHQETVPTP-GOSISDBHSA-N 2 1 353.510 3.273 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000107983931 494631285 /nfs/dbraw/zinc/63/12/85/494631285.db2.gz PZRYBNYAIOESDO-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)[C@H](C)C1 ZINC000091725272 494657182 /nfs/dbraw/zinc/65/71/82/494657182.db2.gz URFLCNSNSZFDFA-OXFYSEKESA-N 2 1 373.545 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)[C@H](C)C1 ZINC000091725272 494657187 /nfs/dbraw/zinc/65/71/87/494657187.db2.gz URFLCNSNSZFDFA-OXFYSEKESA-N 2 1 373.545 3.134 20 0 FGADMP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121249692 494665428 /nfs/dbraw/zinc/66/54/28/494665428.db2.gz NXNCDFRBSGYHJW-MOPGFXCFSA-N 3 1 369.557 3.105 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000568625192 505739809 /nfs/dbraw/zinc/73/98/09/505739809.db2.gz WKMNROCTTPNHIT-SFHVURJKSA-N 2 1 367.484 3.070 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092739817 494734158 /nfs/dbraw/zinc/73/41/58/494734158.db2.gz XMZCGHWRLRVENN-LJQANCHMSA-N 2 1 370.516 3.469 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000025417747 494738480 /nfs/dbraw/zinc/73/84/80/494738480.db2.gz NCDSOEGITDQQAG-IBGZPJMESA-N 2 1 365.521 3.288 20 0 FGADMP Brc1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492676 505738876 /nfs/dbraw/zinc/73/88/76/505738876.db2.gz NFLOAZOTOSCNRN-LSDHHAIUSA-N 2 1 365.315 3.206 20 0 FGADMP C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[NH2+]C1 ZINC000568627986 505740511 /nfs/dbraw/zinc/74/05/11/505740511.db2.gz JPDCMIXAIXAFSC-CVEARBPZSA-N 2 1 364.559 3.483 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000047832201 494781636 /nfs/dbraw/zinc/78/16/36/494781636.db2.gz DSKBZMSJBNTNDD-BBWFWOEESA-N 2 1 366.575 3.018 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2CC[NH3+])[C@@H]1c1cccs1 ZINC000577525883 505745700 /nfs/dbraw/zinc/74/57/00/505745700.db2.gz NZSVDSIBWZJSLT-QFBILLFUSA-N 2 1 357.523 3.062 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cs1 ZINC000121789385 494861047 /nfs/dbraw/zinc/86/10/47/494861047.db2.gz PGBXEKFFTSTNFO-OTWHNJEPSA-N 2 1 361.555 3.211 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000580386453 505746990 /nfs/dbraw/zinc/74/69/90/505746990.db2.gz AOLOEFNLZMBHAS-SLYNCCJLSA-N 2 1 368.500 3.300 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000580386453 505746996 /nfs/dbraw/zinc/74/69/96/505746996.db2.gz AOLOEFNLZMBHAS-SLYNCCJLSA-N 2 1 368.500 3.300 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907164 /nfs/dbraw/zinc/90/71/64/494907164.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907168 /nfs/dbraw/zinc/90/71/68/494907168.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907175 /nfs/dbraw/zinc/90/71/75/494907175.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 3 1 372.601 3.379 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907178 /nfs/dbraw/zinc/90/71/78/494907178.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 2 1 372.601 3.379 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907183 /nfs/dbraw/zinc/90/71/83/494907183.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907187 /nfs/dbraw/zinc/90/71/87/494907187.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639240 494907192 /nfs/dbraw/zinc/90/71/92/494907192.db2.gz KIIIBAPRBPCSND-KNQAVFIVSA-N 2 1 372.601 3.379 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3ccc4c[nH]nc4c3)CC2)nc(C)[nH+]1 ZINC000122335582 494959371 /nfs/dbraw/zinc/95/93/71/494959371.db2.gz IPYCPMCLDUIHHJ-UHFFFAOYSA-N 2 1 350.470 3.071 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc4c[nH]nc4c3)CC2)nc(C)[nH+]1 ZINC000122335582 494959373 /nfs/dbraw/zinc/95/93/73/494959373.db2.gz IPYCPMCLDUIHHJ-UHFFFAOYSA-N 2 1 350.470 3.071 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000097216231 495028410 /nfs/dbraw/zinc/02/84/10/495028410.db2.gz HPWVAYOKELJKLU-HDICACEKSA-N 2 1 366.594 3.116 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000128049294 495037316 /nfs/dbraw/zinc/03/73/16/495037316.db2.gz WSCIKIQOELMLID-BBRMVZONSA-N 2 1 367.946 3.054 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)C1 ZINC000128049294 495037320 /nfs/dbraw/zinc/03/73/20/495037320.db2.gz WSCIKIQOELMLID-BBRMVZONSA-N 2 1 367.946 3.054 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000098093310 495053487 /nfs/dbraw/zinc/05/34/87/495053487.db2.gz MTDCBCULCGKIPW-NRFANRHFSA-N 2 1 351.494 3.029 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)[nH+]1 ZINC000128181970 495056787 /nfs/dbraw/zinc/05/67/87/495056787.db2.gz QWBSZUBEVDUSGW-IVCQMTBJSA-N 2 1 357.523 3.447 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000123038131 495071624 /nfs/dbraw/zinc/07/16/24/495071624.db2.gz UJEMXPCXDXQGEL-RTBURBONSA-N 2 1 352.526 3.225 20 0 FGADMP CC(C)C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000101544140 495073840 /nfs/dbraw/zinc/07/38/40/495073840.db2.gz ZGAYHLSXDLRKBL-UHFFFAOYSA-N 2 1 361.555 3.294 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551440 505759841 /nfs/dbraw/zinc/75/98/41/505759841.db2.gz MXNGRDIKADRQCO-AEFFLSMTSA-N 2 1 358.448 3.319 20 0 FGADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000119062698 495082593 /nfs/dbraw/zinc/08/25/93/495082593.db2.gz OSYQLUOFNIFOLR-OAHLLOKOSA-N 2 1 360.889 3.350 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000119062698 495082598 /nfs/dbraw/zinc/08/25/98/495082598.db2.gz OSYQLUOFNIFOLR-OAHLLOKOSA-N 2 1 360.889 3.350 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000111857210 495121428 /nfs/dbraw/zinc/12/14/28/495121428.db2.gz ALXQTITVEDWVHT-IBGZPJMESA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000111881286 495124773 /nfs/dbraw/zinc/12/47/73/495124773.db2.gz DRFHHOLRJYYIOT-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)nc1 ZINC000134277451 495129168 /nfs/dbraw/zinc/12/91/68/495129168.db2.gz YLLURQHKKOUZSL-UHFFFAOYSA-N 2 1 369.509 3.169 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000119444566 495168860 /nfs/dbraw/zinc/16/88/60/495168860.db2.gz AHQNPDSGFQZOBO-UHFFFAOYSA-N 2 1 374.916 3.473 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000119444566 495168862 /nfs/dbraw/zinc/16/88/62/495168862.db2.gz AHQNPDSGFQZOBO-UHFFFAOYSA-N 2 1 374.916 3.473 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000568740500 505766328 /nfs/dbraw/zinc/76/63/28/505766328.db2.gz FZFWMLUYWAOFAS-FGTMMUONSA-N 2 1 368.949 3.427 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410303 505767256 /nfs/dbraw/zinc/76/72/56/505767256.db2.gz FXWPQKKCTXMBSL-IUODEOHRSA-N 2 1 361.287 3.218 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410303 505767258 /nfs/dbraw/zinc/76/72/58/505767258.db2.gz FXWPQKKCTXMBSL-IUODEOHRSA-N 2 1 361.287 3.218 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCC3)cc2)C1 ZINC000112742450 495234041 /nfs/dbraw/zinc/23/40/41/495234041.db2.gz BSSMCLNOEIMVFO-IBGZPJMESA-N 2 1 372.557 3.156 20 0 FGADMP C[NH+](C)C1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000134984965 495234445 /nfs/dbraw/zinc/23/44/45/495234445.db2.gz JFMPCYAEPNBGDV-NRFANRHFSA-N 2 1 371.550 3.370 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113620854 495322038 /nfs/dbraw/zinc/32/20/38/495322038.db2.gz APOSJACQTSGNSL-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000105093598 495335991 /nfs/dbraw/zinc/33/59/91/495335991.db2.gz JFMCMZNCZFGNJH-OAQYLSRUSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241523 495347831 /nfs/dbraw/zinc/34/78/31/495347831.db2.gz WHXORIJTFUSTPI-ICSRJNTNSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000136298181 495370556 /nfs/dbraw/zinc/37/05/56/495370556.db2.gz MQMZQTGKFQZIFP-HXUWFJFHSA-N 2 1 354.498 3.267 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000136298181 495370558 /nfs/dbraw/zinc/37/05/58/495370558.db2.gz MQMZQTGKFQZIFP-HXUWFJFHSA-N 2 1 354.498 3.267 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000136298181 495370559 /nfs/dbraw/zinc/37/05/59/495370559.db2.gz MQMZQTGKFQZIFP-HXUWFJFHSA-N 2 1 354.498 3.267 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)[C@@H](C)C2CC2)CC1 ZINC000114455165 495375782 /nfs/dbraw/zinc/37/57/82/495375782.db2.gz KQCIYQXTYAYSOY-SFHVURJKSA-N 2 1 357.542 3.276 20 0 FGADMP COc1cccc(OC)c1OC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000136371716 495375994 /nfs/dbraw/zinc/37/59/94/495375994.db2.gz YEOUPYFUQAXQAW-UHFFFAOYSA-N 2 1 359.470 3.142 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000114475564 495380408 /nfs/dbraw/zinc/38/04/08/495380408.db2.gz FUKPJQFBXGEFGB-QGZVFWFLSA-N 2 1 363.521 3.274 20 0 FGADMP Cc1nccn1CCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125086537 495388769 /nfs/dbraw/zinc/38/87/69/495388769.db2.gz VEQDQYVEGKQTLW-KDURUIRLSA-N 2 1 362.562 3.183 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125086537 495388773 /nfs/dbraw/zinc/38/87/73/495388773.db2.gz VEQDQYVEGKQTLW-KDURUIRLSA-N 3 1 362.562 3.183 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000125086537 495388778 /nfs/dbraw/zinc/38/87/78/495388778.db2.gz VEQDQYVEGKQTLW-KDURUIRLSA-N 3 1 362.562 3.183 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000130418158 495389469 /nfs/dbraw/zinc/38/94/69/495389469.db2.gz QWICYZNVEATWRU-QGZVFWFLSA-N 2 1 372.340 3.084 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000130916571 495466081 /nfs/dbraw/zinc/46/60/81/495466081.db2.gz CNYRTAKJZLZMCC-UHFFFAOYSA-N 2 1 370.472 3.113 20 0 FGADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000130985302 495475668 /nfs/dbraw/zinc/47/56/68/495475668.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000130985302 495475672 /nfs/dbraw/zinc/47/56/72/495475672.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000130985302 495475676 /nfs/dbraw/zinc/47/56/76/495475676.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000130985302 495475682 /nfs/dbraw/zinc/47/56/82/495475682.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000130985302 495475684 /nfs/dbraw/zinc/47/56/84/495475684.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000130985302 495475689 /nfs/dbraw/zinc/47/56/89/495475689.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@@H]1C[NH+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000130985302 495475693 /nfs/dbraw/zinc/47/56/93/495475693.db2.gz VAXDCPADSXNUEV-NYVOZVTQSA-N 2 1 358.574 3.407 20 0 FGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]Cc1ccc(F)c(CN(C)C)c1 ZINC000120970869 495494680 /nfs/dbraw/zinc/49/46/80/495494680.db2.gz BXTLTVBQVYKUTM-VGSWGCGISA-N 3 1 370.516 3.283 20 0 FGADMP Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000158636943 495556476 /nfs/dbraw/zinc/55/64/76/495556476.db2.gz HPKOFTNUJRSVSX-IBGZPJMESA-N 2 1 359.514 3.248 20 0 FGADMP CC1(C)CC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC(C)(C)[NH2+]1 ZINC000182580882 495623085 /nfs/dbraw/zinc/62/30/85/495623085.db2.gz KUONNLJHVYUXPA-IBGZPJMESA-N 2 1 357.542 3.467 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(Cl)c2)CC1 ZINC000154474035 495627956 /nfs/dbraw/zinc/62/79/56/495627956.db2.gz NWMPSNBVBMMXAI-MRXNPFEDSA-N 2 1 353.938 3.417 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000176410753 495641723 /nfs/dbraw/zinc/64/17/23/495641723.db2.gz LQRDWWVYUXHZQA-LJQANCHMSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000159115661 495662708 /nfs/dbraw/zinc/66/27/08/495662708.db2.gz QZOPIRSLSXOAMX-DBXWQHBBSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000159115661 495662713 /nfs/dbraw/zinc/66/27/13/495662713.db2.gz QZOPIRSLSXOAMX-DBXWQHBBSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000159115661 495662719 /nfs/dbraw/zinc/66/27/19/495662719.db2.gz QZOPIRSLSXOAMX-DBXWQHBBSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182683730 495663582 /nfs/dbraw/zinc/66/35/82/495663582.db2.gz PZGZFRWAUUOHOG-OALUTQOASA-N 2 1 366.594 3.448 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669345 495671545 /nfs/dbraw/zinc/67/15/45/495671545.db2.gz RVJCXIGNFOXPOK-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669345 495671548 /nfs/dbraw/zinc/67/15/48/495671548.db2.gz RVJCXIGNFOXPOK-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000182745510 495686418 /nfs/dbraw/zinc/68/64/18/495686418.db2.gz ZGYNLPCGMRCRHI-INIZCTEOSA-N 2 1 350.507 3.144 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735840 495703921 /nfs/dbraw/zinc/70/39/21/495703921.db2.gz NTBYTHCDOQVNOM-IRXDYDNUSA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735840 495703924 /nfs/dbraw/zinc/70/39/24/495703924.db2.gz NTBYTHCDOQVNOM-IRXDYDNUSA-N 2 1 359.514 3.266 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000574545194 505798616 /nfs/dbraw/zinc/79/86/16/505798616.db2.gz KJVXWIXWLVKIOJ-UHFFFAOYSA-N 2 1 366.509 3.494 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCc2ccccc2C1 ZINC000185747314 495709279 /nfs/dbraw/zinc/70/92/79/495709279.db2.gz JLASJEKEXUBQMW-CMKODMSKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCc2ccccc2C1 ZINC000185747314 495709285 /nfs/dbraw/zinc/70/92/85/495709285.db2.gz JLASJEKEXUBQMW-CMKODMSKSA-N 2 1 369.553 3.202 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154738649 495712739 /nfs/dbraw/zinc/71/27/39/495712739.db2.gz KSGMZQHUHRNVAV-RTWAWAEBSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154738649 495712743 /nfs/dbraw/zinc/71/27/43/495712743.db2.gz KSGMZQHUHRNVAV-RTWAWAEBSA-N 2 1 360.542 3.179 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000171108530 495727733 /nfs/dbraw/zinc/72/77/33/495727733.db2.gz DRXGMEHIMXJNBF-UHFFFAOYSA-N 2 1 360.546 3.235 20 0 FGADMP COc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c(F)c1 ZINC000568889563 505801542 /nfs/dbraw/zinc/80/15/42/505801542.db2.gz MEMRLQZWXABRQZ-UHFFFAOYSA-N 2 1 357.473 3.368 20 0 FGADMP COc1ccc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)c(F)c1 ZINC000568889563 505801545 /nfs/dbraw/zinc/80/15/45/505801545.db2.gz MEMRLQZWXABRQZ-UHFFFAOYSA-N 2 1 357.473 3.368 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951805 495760726 /nfs/dbraw/zinc/76/07/26/495760726.db2.gz AGWAWJFMOIBQAP-MSOLQXFVSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951805 495760731 /nfs/dbraw/zinc/76/07/31/495760731.db2.gz AGWAWJFMOIBQAP-MSOLQXFVSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951805 495760736 /nfs/dbraw/zinc/76/07/36/495760736.db2.gz AGWAWJFMOIBQAP-MSOLQXFVSA-N 2 1 354.922 3.024 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000173955782 495763050 /nfs/dbraw/zinc/76/30/50/495763050.db2.gz DKOUCKMREPEPLR-IBGZPJMESA-N 2 1 373.541 3.207 20 0 FGADMP c1csc(-c2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)no2)c1 ZINC000173962999 495766262 /nfs/dbraw/zinc/76/62/62/495766262.db2.gz UPSNJPIGJFUSLY-UHFFFAOYSA-N 2 1 361.511 3.480 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000154937323 495777710 /nfs/dbraw/zinc/77/77/10/495777710.db2.gz DGZJYFNRWFFHTO-SFHVURJKSA-N 2 1 372.513 3.092 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000154937323 495777713 /nfs/dbraw/zinc/77/77/13/495777713.db2.gz DGZJYFNRWFFHTO-SFHVURJKSA-N 2 1 372.513 3.092 20 0 FGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156706 495841487 /nfs/dbraw/zinc/84/14/87/495841487.db2.gz APFPAXFVNYVGNN-DLBZAZTESA-N 2 1 357.498 3.304 20 0 FGADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@H](c1ccccc1)C1CC1 ZINC000171387596 495850457 /nfs/dbraw/zinc/85/04/57/495850457.db2.gz KPUGUAQWPVWFFX-JOCHJYFZSA-N 2 1 355.526 3.062 20 0 FGADMP NC(=O)c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180103543 495860206 /nfs/dbraw/zinc/86/02/06/495860206.db2.gz KLLYGVSVRQBBMV-FRIKZZABSA-N 2 1 363.505 3.113 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H]1c1ccccc1 ZINC000180201341 495902950 /nfs/dbraw/zinc/90/29/50/495902950.db2.gz HLVRCDYJWVQJQF-YADHBBJMSA-N 2 1 363.505 3.458 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000171527796 495914841 /nfs/dbraw/zinc/91/48/41/495914841.db2.gz WXFORJYSKCWGJZ-IBGZPJMESA-N 2 1 358.917 3.100 20 0 FGADMP CNC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174402705 495942777 /nfs/dbraw/zinc/94/27/77/495942777.db2.gz VZGMVWOSXFAARI-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000174402705 495942781 /nfs/dbraw/zinc/94/27/81/495942781.db2.gz VZGMVWOSXFAARI-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000174402705 495942785 /nfs/dbraw/zinc/94/27/85/495942785.db2.gz VZGMVWOSXFAARI-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000174402705 495942789 /nfs/dbraw/zinc/94/27/89/495942789.db2.gz VZGMVWOSXFAARI-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403884 495944845 /nfs/dbraw/zinc/94/48/45/495944845.db2.gz HHSUVVLCBFRJKE-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403884 495944850 /nfs/dbraw/zinc/94/48/50/495944850.db2.gz HHSUVVLCBFRJKE-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403884 495944852 /nfs/dbraw/zinc/94/48/52/495944852.db2.gz HHSUVVLCBFRJKE-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP O=C1CCCCCN1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000155499531 495974821 /nfs/dbraw/zinc/97/48/21/495974821.db2.gz HXOMAENTUXRKHT-UHFFFAOYSA-N 2 1 357.542 3.076 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000186410977 495988411 /nfs/dbraw/zinc/98/84/11/495988411.db2.gz FVBWUUIGJXDNHO-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)c1c[nH+]ccc1N(C)C ZINC000183546333 496025950 /nfs/dbraw/zinc/02/59/50/496025950.db2.gz QRQLZUNYGGEYNU-UHFFFAOYSA-N 2 1 370.522 3.257 20 0 FGADMP C[N@@H+](CCN1CCN(CCc2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000152073807 496039422 /nfs/dbraw/zinc/03/94/22/496039422.db2.gz PBGMMDYSJIFXSS-UHFFFAOYSA-N 2 1 373.491 3.257 20 0 FGADMP C[N@H+](CCN1CC[NH+](CCc2ccc(F)c(F)c2)CC1)Cc1ccccc1 ZINC000152073807 496039429 /nfs/dbraw/zinc/03/94/29/496039429.db2.gz PBGMMDYSJIFXSS-UHFFFAOYSA-N 2 1 373.491 3.257 20 0 FGADMP CN(CC[N@@H+](C)Cc1cccc(OCC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000177381397 496039447 /nfs/dbraw/zinc/03/94/47/496039447.db2.gz NDOURCLAHQGSCB-UHFFFAOYSA-N 2 1 373.463 3.086 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000571815025 505819969 /nfs/dbraw/zinc/81/99/69/505819969.db2.gz OUNRGADKHVGYDF-AZUAARDMSA-N 2 1 365.521 3.218 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2F)cc1 ZINC000183672066 496073117 /nfs/dbraw/zinc/07/31/17/496073117.db2.gz OGBRMSXEYGPPJP-KXBFYZLASA-N 2 1 369.440 3.410 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cnc3ccccc3c2=O)cc1 ZINC000183678678 496075027 /nfs/dbraw/zinc/07/50/27/496075027.db2.gz LNETVZWDVBVXBG-MRXNPFEDSA-N 2 1 373.460 3.241 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000155860775 496091196 /nfs/dbraw/zinc/09/11/96/496091196.db2.gz ZPZMUTRPXNUPBH-UYAOXDASSA-N 3 1 372.557 3.461 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000155944011 496114404 /nfs/dbraw/zinc/11/44/04/496114404.db2.gz NKKAIACXNHBWAN-KKUMJFAQSA-N 2 1 352.910 3.162 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000155944011 496114406 /nfs/dbraw/zinc/11/44/06/496114406.db2.gz NKKAIACXNHBWAN-KKUMJFAQSA-N 2 1 352.910 3.162 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000174890700 496151021 /nfs/dbraw/zinc/15/10/21/496151021.db2.gz CYEDSAQDAFPJQG-JENIJYKNSA-N 2 1 360.546 3.240 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)c1 ZINC000177690387 496160556 /nfs/dbraw/zinc/16/05/56/496160556.db2.gz WVCRETSYXMAUCB-HXUWFJFHSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)c1 ZINC000177690387 496160562 /nfs/dbraw/zinc/16/05/62/496160562.db2.gz WVCRETSYXMAUCB-HXUWFJFHSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000177690387 496160565 /nfs/dbraw/zinc/16/05/65/496160565.db2.gz WVCRETSYXMAUCB-HXUWFJFHSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699685 496164113 /nfs/dbraw/zinc/16/41/13/496164113.db2.gz LDYJNBQKFQEBPW-IEBWSBKVSA-N 2 1 361.530 3.433 20 0 FGADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000174949365 496177782 /nfs/dbraw/zinc/17/77/82/496177782.db2.gz VQERHWQVQFBNBW-RBBKRZOGSA-N 2 1 365.521 3.270 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000174949365 496177786 /nfs/dbraw/zinc/17/77/86/496177786.db2.gz VQERHWQVQFBNBW-RBBKRZOGSA-N 2 1 365.521 3.270 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)CC2)[nH+]c1 ZINC000175021875 496211472 /nfs/dbraw/zinc/21/14/72/496211472.db2.gz SJLIZNREULXSNS-UXHICEINSA-N 2 1 370.541 3.080 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CC[C@H]4CC[C@@H](C3)[N@H+]4C(C)C)CC2)[nH+]c1 ZINC000175021875 496211479 /nfs/dbraw/zinc/21/14/79/496211479.db2.gz SJLIZNREULXSNS-UXHICEINSA-N 2 1 370.541 3.080 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177838911 496217691 /nfs/dbraw/zinc/21/76/91/496217691.db2.gz WYBSBHFMISDPEV-FCEWJHQRSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)c1 ZINC000177850271 496222480 /nfs/dbraw/zinc/22/24/80/496222480.db2.gz WSUYYVOSIWVLQB-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000177877122 496235128 /nfs/dbraw/zinc/23/51/28/496235128.db2.gz XMJLPUOTAWLATB-ZWKOTPCHSA-N 2 1 360.546 3.099 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CN1C1CC1 ZINC000177890355 496241249 /nfs/dbraw/zinc/24/12/49/496241249.db2.gz NRMVLSFBDFHKAX-LXGFNABISA-N 2 1 357.542 3.011 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C3CCSCC3)cc2)CC1 ZINC000187016771 496253245 /nfs/dbraw/zinc/25/32/45/496253245.db2.gz MHWUJNBAHWNMSE-SFHVURJKSA-N 2 1 361.599 3.445 20 0 FGADMP CC(C)C1CCC(CNC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)CC1 ZINC000152782695 496254495 /nfs/dbraw/zinc/25/44/95/496254495.db2.gz UOOKAXIIQKRKOV-UHFFFAOYSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000184233695 496297597 /nfs/dbraw/zinc/29/75/97/496297597.db2.gz FCLZUHWALUWPDL-QUCCMNQESA-N 2 1 357.542 3.455 20 0 FGADMP CN(C(=O)N[C@H]1C=CCCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000162165942 496306379 /nfs/dbraw/zinc/30/63/79/496306379.db2.gz YODBXIGHMMZSGK-SXLOBPIMSA-N 2 1 362.562 3.074 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000162441755 496353399 /nfs/dbraw/zinc/35/33/99/496353399.db2.gz YAIHLPGUTRGLRW-SFHVURJKSA-N 2 1 368.525 3.246 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)C12CCCCC2 ZINC000181493628 496418369 /nfs/dbraw/zinc/41/83/69/496418369.db2.gz UKLKEPALCIUXRW-WOJBJXKFSA-N 2 1 351.579 3.122 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@@H+]1C ZINC000162858819 496423873 /nfs/dbraw/zinc/42/38/73/496423873.db2.gz ZYHZXORTHZCQGB-DYESRHJHSA-N 2 1 350.510 3.217 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@H+]1C ZINC000162858819 496423875 /nfs/dbraw/zinc/42/38/75/496423875.db2.gz ZYHZXORTHZCQGB-DYESRHJHSA-N 2 1 350.510 3.217 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C12CCC2 ZINC000181573088 496451630 /nfs/dbraw/zinc/45/16/30/496451630.db2.gz RRDSNIQPDROFQF-JRGCBEDISA-N 2 1 358.526 3.345 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C12CCC2 ZINC000181573088 496451636 /nfs/dbraw/zinc/45/16/36/496451636.db2.gz RRDSNIQPDROFQF-JRGCBEDISA-N 2 1 358.526 3.345 20 0 FGADMP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000153482365 496470618 /nfs/dbraw/zinc/47/06/18/496470618.db2.gz RFXWXPOANSVHHF-CVDCTZTESA-N 2 1 368.521 3.255 20 0 FGADMP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000153482365 496470626 /nfs/dbraw/zinc/47/06/26/496470626.db2.gz RFXWXPOANSVHHF-CVDCTZTESA-N 2 1 368.521 3.255 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175641089 496479160 /nfs/dbraw/zinc/47/91/60/496479160.db2.gz RDIUVIBLRKWSBN-SFHVURJKSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000157456107 496480022 /nfs/dbraw/zinc/48/00/22/496480022.db2.gz HUXCRBHOOCQDMA-IBGZPJMESA-N 2 1 374.573 3.400 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1ccccc1 ZINC000184745201 496517185 /nfs/dbraw/zinc/51/71/85/496517185.db2.gz QIOJYILPHGNKKX-OALUTQOASA-N 2 1 365.521 3.049 20 0 FGADMP CCc1cccc(C)c1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000157632310 496519160 /nfs/dbraw/zinc/51/91/60/496519160.db2.gz NDDLCJSNQLDUDD-IBGZPJMESA-N 2 1 360.546 3.437 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175781843 496543541 /nfs/dbraw/zinc/54/35/41/496543541.db2.gz YQNWSCWHFIRWGE-TZIWHRDSSA-N 2 1 374.573 3.413 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000178704895 496545598 /nfs/dbraw/zinc/54/55/98/496545598.db2.gz XFPPTUUOAKAOHX-IAGOWNOFSA-N 2 1 367.497 3.432 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000163697143 496548778 /nfs/dbraw/zinc/54/87/78/496548778.db2.gz PYORJQGAYGRWQG-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844369 496569561 /nfs/dbraw/zinc/56/95/61/496569561.db2.gz RGJQUANJEHMMMG-SFHVURJKSA-N 2 1 357.502 3.048 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000157852219 496569966 /nfs/dbraw/zinc/56/99/66/496569966.db2.gz XFEWNWLBFYDVOA-MRXNPFEDSA-N 2 1 362.477 3.434 20 0 FGADMP Cc1cccc2c1cc[nH+]c2NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000569098757 505852403 /nfs/dbraw/zinc/85/24/03/505852403.db2.gz MVNOHNRFAAIOKQ-UHFFFAOYSA-N 2 1 362.477 3.447 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574784000 505855130 /nfs/dbraw/zinc/85/51/30/505855130.db2.gz JEXPZOFPTFCKIC-HCXYKTFWSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000164603185 496622386 /nfs/dbraw/zinc/62/23/86/496622386.db2.gz AQCBGBICVKFFNM-GCJKJVERSA-N 2 1 365.521 3.105 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000185034022 496630120 /nfs/dbraw/zinc/63/01/20/496630120.db2.gz PHAFUTZSPNYINX-OALUTQOASA-N 2 1 366.571 3.401 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158134758 496634873 /nfs/dbraw/zinc/63/48/73/496634873.db2.gz ULIMMLGCRQCRSK-UONOGXRCSA-N 2 1 357.420 3.354 20 0 FGADMP CCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccnc1 ZINC000185084650 496652636 /nfs/dbraw/zinc/65/26/36/496652636.db2.gz BKVLTKMWLAPKIZ-QFIPXVFZSA-N 2 1 352.526 3.460 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158231788 496656217 /nfs/dbraw/zinc/65/62/17/496656217.db2.gz JVSOLXFYFNBWEB-UONOGXRCSA-N 2 1 368.319 3.098 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158236978 496656984 /nfs/dbraw/zinc/65/69/84/496656984.db2.gz OWCMPOMMEAVNPY-UONOGXRCSA-N 2 1 373.419 3.234 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165535212 496661105 /nfs/dbraw/zinc/66/11/05/496661105.db2.gz LSLFFVPCGZVDTD-LVCYWYKZSA-N 2 1 369.509 3.358 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165535212 496661108 /nfs/dbraw/zinc/66/11/08/496661108.db2.gz LSLFFVPCGZVDTD-LVCYWYKZSA-N 2 1 369.509 3.358 20 0 FGADMP CN(c1ccccc1C[N@@H+](CCO)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000158322350 496676618 /nfs/dbraw/zinc/67/66/18/496676618.db2.gz GLSNCWGJRBIJRJ-UHFFFAOYSA-N 2 1 367.537 3.212 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414077 496682216 /nfs/dbraw/zinc/68/22/16/496682216.db2.gz XWQOPLREEPZNLB-HOJAQTOUSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000173416667 496684175 /nfs/dbraw/zinc/68/41/75/496684175.db2.gz BTWJFCHXTIWBPA-ULQDDVLXSA-N 2 1 364.559 3.009 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000182252997 496720737 /nfs/dbraw/zinc/72/07/37/496720737.db2.gz FFPPJENXBFMHGQ-NHCUHLMSSA-N 2 1 372.557 3.154 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000182257739 496721433 /nfs/dbraw/zinc/72/14/33/496721433.db2.gz YCYINRHXEIOXJY-SIKLNZKXSA-N 2 1 352.478 3.039 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000182269177 496723695 /nfs/dbraw/zinc/72/36/95/496723695.db2.gz DIUJRIKQWGBJKM-PZJWPPBQSA-N 2 1 370.468 3.396 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccc(F)cc32)C1 ZINC000182268933 496723775 /nfs/dbraw/zinc/72/37/75/496723775.db2.gz LZJMDRHEWIJPOT-PZJWPPBQSA-N 2 1 370.468 3.396 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc(O)c2)CC1 ZINC000194853983 496736174 /nfs/dbraw/zinc/73/61/74/496736174.db2.gz YFAPQWVKVMZNNB-GOSISDBHSA-N 2 1 353.510 3.381 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000247007853 496750571 /nfs/dbraw/zinc/75/05/71/496750571.db2.gz LKWSBJXRBKLPRY-KBXCAEBGSA-N 2 1 369.912 3.100 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247061335 496766937 /nfs/dbraw/zinc/76/69/37/496766937.db2.gz ZTLADUYNOBCCCD-ZAAXVRCTSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247061335 496766942 /nfs/dbraw/zinc/76/69/42/496766942.db2.gz ZTLADUYNOBCCCD-ZAAXVRCTSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247061335 496766947 /nfs/dbraw/zinc/76/69/47/496766947.db2.gz ZTLADUYNOBCCCD-ZAAXVRCTSA-N 2 1 364.917 3.028 20 0 FGADMP O=C(CCCC[NH+]1CCOCC1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000263937586 496767963 /nfs/dbraw/zinc/76/79/63/496767963.db2.gz TXRNLMCKFXVVRH-UHFFFAOYSA-N 2 1 359.514 3.114 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000191470122 496773550 /nfs/dbraw/zinc/77/35/50/496773550.db2.gz KRMSRTSZLOVAFD-CQSZACIVSA-N 2 1 363.893 3.233 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000191470122 496773557 /nfs/dbraw/zinc/77/35/57/496773557.db2.gz KRMSRTSZLOVAFD-CQSZACIVSA-N 2 1 363.893 3.233 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247123160 496785991 /nfs/dbraw/zinc/78/59/91/496785991.db2.gz AMTCPVIPTWDBMB-KEYYUXOJSA-N 2 1 367.440 3.031 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000191503496 496787856 /nfs/dbraw/zinc/78/78/56/496787856.db2.gz HXCVGAMFLCEMBQ-MRXNPFEDSA-N 2 1 358.486 3.193 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(OC)cc1 ZINC000191503496 496787858 /nfs/dbraw/zinc/78/78/58/496787858.db2.gz HXCVGAMFLCEMBQ-MRXNPFEDSA-N 2 1 358.486 3.193 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268870024 496811012 /nfs/dbraw/zinc/81/10/12/496811012.db2.gz LGDQLGYGBRKSAA-QWHCGFSZSA-N 2 1 371.453 3.175 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118549 496825508 /nfs/dbraw/zinc/82/55/08/496825508.db2.gz OBSUBPBTDNNBMO-KRWDZBQOSA-N 2 1 352.910 3.220 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000247296256 496826403 /nfs/dbraw/zinc/82/64/03/496826403.db2.gz OIOVBTKAPXQTHH-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c1 ZINC000247296256 496826409 /nfs/dbraw/zinc/82/64/09/496826409.db2.gz OIOVBTKAPXQTHH-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000247373065 496847435 /nfs/dbraw/zinc/84/74/35/496847435.db2.gz SGNXHKRUPLUBDP-DYESRHJHSA-N 2 1 357.542 3.442 20 0 FGADMP OCC[C@@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@H]1CCO ZINC000247735370 496910447 /nfs/dbraw/zinc/91/04/47/496910447.db2.gz VPKUJKDCPNBYPV-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)ccc1S(C)(=O)=O ZINC000247945502 496930277 /nfs/dbraw/zinc/93/02/77/496930277.db2.gz HMYOIRLASOTEIP-HZPDHXFCSA-N 2 1 368.543 3.014 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)ccc1S(C)(=O)=O ZINC000247945502 496930280 /nfs/dbraw/zinc/93/02/80/496930280.db2.gz HMYOIRLASOTEIP-HZPDHXFCSA-N 2 1 368.543 3.014 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000248001931 496941022 /nfs/dbraw/zinc/94/10/22/496941022.db2.gz KLSPSKTUWYULIT-RHSMWYFYSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248001931 496941024 /nfs/dbraw/zinc/94/10/24/496941024.db2.gz KLSPSKTUWYULIT-RHSMWYFYSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248001931 496941026 /nfs/dbraw/zinc/94/10/26/496941026.db2.gz KLSPSKTUWYULIT-RHSMWYFYSA-N 2 1 365.905 3.093 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000248149349 496963872 /nfs/dbraw/zinc/96/38/72/496963872.db2.gz QNXSPFKGLLDJDH-JXFKEZNVSA-N 2 1 374.504 3.207 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000216525174 496989573 /nfs/dbraw/zinc/98/95/73/496989573.db2.gz YBLUVHJMNGAVSU-LJQANCHMSA-N 2 1 359.901 3.191 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000216525174 496989576 /nfs/dbraw/zinc/98/95/76/496989576.db2.gz YBLUVHJMNGAVSU-LJQANCHMSA-N 2 1 359.901 3.191 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)[C@H](C)C1 ZINC000248400457 496997209 /nfs/dbraw/zinc/99/72/09/496997209.db2.gz KUIQZUSEHQDCFX-MLYOOKFZSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[C@H](C)C1 ZINC000248400457 496997213 /nfs/dbraw/zinc/99/72/13/496997213.db2.gz KUIQZUSEHQDCFX-MLYOOKFZSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[C@H](C)C1 ZINC000248400457 496997217 /nfs/dbraw/zinc/99/72/17/496997217.db2.gz KUIQZUSEHQDCFX-MLYOOKFZSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248407628 496999740 /nfs/dbraw/zinc/99/97/40/496999740.db2.gz UNJUPVGWFATFQQ-NJDAHSKKSA-N 2 1 357.542 3.039 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433634 497010307 /nfs/dbraw/zinc/01/03/07/497010307.db2.gz DITZSQBXVNUZME-QZTJIDSGSA-N 2 1 357.523 3.185 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000248461022 497020238 /nfs/dbraw/zinc/02/02/38/497020238.db2.gz XCLNYNYZRHUAKE-IRLDBZIGSA-N 2 1 368.546 3.373 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C12CCCCC2 ZINC000248463700 497020407 /nfs/dbraw/zinc/02/04/07/497020407.db2.gz ZCAZHTKIXFDSLO-BHIFYINESA-N 2 1 372.553 3.471 20 0 FGADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248540093 497034419 /nfs/dbraw/zinc/03/44/19/497034419.db2.gz BBQSCWIRYJGDOM-PKTZIBPZSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248540093 497034426 /nfs/dbraw/zinc/03/44/26/497034426.db2.gz BBQSCWIRYJGDOM-PKTZIBPZSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248540093 497034432 /nfs/dbraw/zinc/03/44/32/497034432.db2.gz BBQSCWIRYJGDOM-PKTZIBPZSA-N 2 1 352.522 3.434 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248585289 497048369 /nfs/dbraw/zinc/04/83/69/497048369.db2.gz PWGWUPIOVBYTFS-YQVWRLOYSA-N 2 1 371.525 3.150 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248595344 497050735 /nfs/dbraw/zinc/05/07/35/497050735.db2.gz SNSSWMIHJHHRPZ-AOIWGVFYSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248595344 497050741 /nfs/dbraw/zinc/05/07/41/497050741.db2.gz SNSSWMIHJHHRPZ-AOIWGVFYSA-N 2 1 355.526 3.207 20 0 FGADMP COc1ccccc1-c1nc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000192340224 497079465 /nfs/dbraw/zinc/07/94/65/497079465.db2.gz OHMSAEGNZHSYJO-KRWDZBQOSA-N 2 1 370.497 3.409 20 0 FGADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccs1 ZINC000578193303 505883743 /nfs/dbraw/zinc/88/37/43/505883743.db2.gz QRMGJVMTVHDPSA-APWZRJJASA-N 2 1 363.571 3.273 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000248748892 497097528 /nfs/dbraw/zinc/09/75/28/497097528.db2.gz FXOLUGIETRMGQZ-YSFYHYPLSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000248748892 497097531 /nfs/dbraw/zinc/09/75/31/497097531.db2.gz FXOLUGIETRMGQZ-YSFYHYPLSA-N 2 1 370.537 3.215 20 0 FGADMP COc1cccc2c1CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C2 ZINC000192438091 497114576 /nfs/dbraw/zinc/11/45/76/497114576.db2.gz GRHXYRCJBMGPPD-NRFANRHFSA-N 2 1 366.505 3.175 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278470464 497126582 /nfs/dbraw/zinc/12/65/82/497126582.db2.gz ZHTWTPWQNTZGKO-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c(Br)cnn1C ZINC000278470464 497126585 /nfs/dbraw/zinc/12/65/85/497126585.db2.gz ZHTWTPWQNTZGKO-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236661292 497129098 /nfs/dbraw/zinc/12/90/98/497129098.db2.gz JQIGDRZFQPEOOC-NHCUHLMSSA-N 2 1 351.494 3.276 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000236800640 497147424 /nfs/dbraw/zinc/14/74/24/497147424.db2.gz ANQPZCJLAPSWDM-SFHVURJKSA-N 2 1 371.447 3.075 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278539110 497147681 /nfs/dbraw/zinc/14/76/81/497147681.db2.gz UULSCCHELWNWGY-VQIMIIECSA-N 2 1 364.497 3.234 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000236894841 497164754 /nfs/dbraw/zinc/16/47/54/497164754.db2.gz NOVDXXITVIJSNI-OAQYLSRUSA-N 2 1 357.542 3.137 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000249107332 497167333 /nfs/dbraw/zinc/16/73/33/497167333.db2.gz VNWVSBRZJRFMIS-CSKOPFHVSA-N 2 1 350.528 3.452 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000249107332 497167338 /nfs/dbraw/zinc/16/73/38/497167338.db2.gz VNWVSBRZJRFMIS-CSKOPFHVSA-N 2 1 350.528 3.452 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000189613544 497182413 /nfs/dbraw/zinc/18/24/13/497182413.db2.gz XCUKJYYMERPWOL-OAQYLSRUSA-N 2 1 365.525 3.129 20 0 FGADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249299962 497190327 /nfs/dbraw/zinc/19/03/27/497190327.db2.gz NZQWBIITBPLXBR-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249581610 497224231 /nfs/dbraw/zinc/22/42/31/497224231.db2.gz NMFIGQMFXOCXHU-DENIHFKCSA-N 2 1 366.505 3.429 20 0 FGADMP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237512043 497248855 /nfs/dbraw/zinc/24/88/55/497248855.db2.gz OOVWUOZUNQHNRA-DBXWQHBBSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237512043 497248862 /nfs/dbraw/zinc/24/88/62/497248862.db2.gz OOVWUOZUNQHNRA-DBXWQHBBSA-N 2 1 351.494 3.055 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278871400 497249313 /nfs/dbraw/zinc/24/93/13/497249313.db2.gz WZQXWRZQCVGUDI-CSEOROSGSA-N 2 1 369.553 3.419 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cc2c(OC)c1 ZINC000192942836 497253184 /nfs/dbraw/zinc/25/31/84/497253184.db2.gz CWEQRXYBMFDMAA-ALOPSCKCSA-N 2 1 357.498 3.333 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)nnn1-c1ccc(Cl)cc1 ZINC000278882945 497253987 /nfs/dbraw/zinc/25/39/87/497253987.db2.gz CUCBUMKQCBXNJY-DZGCQCFKSA-N 2 1 370.888 3.339 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)nnn1-c1ccc(Cl)cc1 ZINC000278882955 497254829 /nfs/dbraw/zinc/25/48/29/497254829.db2.gz CUCBUMKQCBXNJY-UKRRQHHQSA-N 2 1 370.888 3.339 20 0 FGADMP C[C@@H](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237559684 497255744 /nfs/dbraw/zinc/25/57/44/497255744.db2.gz XAIRAYXSWWRYGA-RXVVDRJESA-N 2 1 353.510 3.493 20 0 FGADMP C[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000237568069 497257297 /nfs/dbraw/zinc/25/72/97/497257297.db2.gz VLVNMARITNZPMH-GOSISDBHSA-N 2 1 357.542 3.135 20 0 FGADMP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578236779 505894779 /nfs/dbraw/zinc/89/47/79/505894779.db2.gz LMCUWMWQSQTCCH-AABGKKOBSA-N 2 1 366.509 3.037 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237678429 497275111 /nfs/dbraw/zinc/27/51/11/497275111.db2.gz KCMRRUKLJLUGIA-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193017844 497276096 /nfs/dbraw/zinc/27/60/96/497276096.db2.gz ALNAFVPZMBTKQW-OHSMVPPVSA-N 2 1 373.541 3.258 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000252007103 497294148 /nfs/dbraw/zinc/29/41/48/497294148.db2.gz XWVMPXZMLUZFNB-KAGYGMCKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275352030 497298281 /nfs/dbraw/zinc/29/82/81/497298281.db2.gz ACIGDYZVBAYSDO-WBVHZDCISA-N 2 1 374.916 3.126 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)ncc1F ZINC000279035106 497311911 /nfs/dbraw/zinc/31/19/11/497311911.db2.gz WNYIGLCVOBBTMK-QWRGUYRKSA-N 2 1 353.239 3.093 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000271484959 497360778 /nfs/dbraw/zinc/36/07/78/497360778.db2.gz JLWBWFLREQKJJO-JCURWCKSSA-N 2 1 372.431 3.456 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279229025 497373972 /nfs/dbraw/zinc/37/39/72/497373972.db2.gz ORGGMZCDUXEOLH-RDJZCZTQSA-N 2 1 361.555 3.213 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285219 505904591 /nfs/dbraw/zinc/90/45/91/505904591.db2.gz ZNYURRZWQLKKTG-HJNYFJLDSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285219 505904593 /nfs/dbraw/zinc/90/45/93/505904593.db2.gz ZNYURRZWQLKKTG-HJNYFJLDSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285219 505904596 /nfs/dbraw/zinc/90/45/96/505904596.db2.gz ZNYURRZWQLKKTG-HJNYFJLDSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285219 505904599 /nfs/dbraw/zinc/90/45/99/505904599.db2.gz ZNYURRZWQLKKTG-HJNYFJLDSA-N 2 1 371.569 3.474 20 0 FGADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000261634864 497423383 /nfs/dbraw/zinc/42/33/83/497423383.db2.gz BMMBHWVXADKXKX-LJQANCHMSA-N 2 1 353.441 3.075 20 0 FGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000261701065 497435642 /nfs/dbraw/zinc/43/56/42/497435642.db2.gz IDNDQQDUXKXFDA-QGZVFWFLSA-N 2 1 352.404 3.121 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000261701065 497435649 /nfs/dbraw/zinc/43/56/49/497435649.db2.gz IDNDQQDUXKXFDA-QGZVFWFLSA-N 2 1 352.404 3.121 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266897029 497440951 /nfs/dbraw/zinc/44/09/51/497440951.db2.gz FMXCSTOWBHGBCV-DLBZAZTESA-N 2 1 367.497 3.217 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266897029 497440957 /nfs/dbraw/zinc/44/09/57/497440957.db2.gz FMXCSTOWBHGBCV-DLBZAZTESA-N 2 1 367.497 3.217 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000245552441 497452380 /nfs/dbraw/zinc/45/23/80/497452380.db2.gz QLTPCUJDGOWDSD-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@@H]1O ZINC000245552441 497452382 /nfs/dbraw/zinc/45/23/82/497452382.db2.gz QLTPCUJDGOWDSD-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@H]1CCCC[C@@H]1O ZINC000245552441 497452385 /nfs/dbraw/zinc/45/23/85/497452385.db2.gz QLTPCUJDGOWDSD-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000261837793 497460161 /nfs/dbraw/zinc/46/01/61/497460161.db2.gz ZNABPFNZJNJTCG-JOCHJYFZSA-N 2 1 370.493 3.454 20 0 FGADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000261837793 497460167 /nfs/dbraw/zinc/46/01/67/497460167.db2.gz ZNABPFNZJNJTCG-JOCHJYFZSA-N 2 1 370.493 3.454 20 0 FGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1)C1CCCC1 ZINC000575038308 505909104 /nfs/dbraw/zinc/90/91/04/505909104.db2.gz PIXGSRLKGUKCKE-QHAWAJNXSA-N 2 1 371.525 3.062 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000245623164 497477764 /nfs/dbraw/zinc/47/77/64/497477764.db2.gz FRBGWIITSOFYPC-YQVWRLOYSA-N 2 1 372.538 3.095 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245657754 497490956 /nfs/dbraw/zinc/49/09/56/497490956.db2.gz CUDZEBFMOYYPBP-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105155 505910287 /nfs/dbraw/zinc/91/02/87/505910287.db2.gz OHFQOXMKFDYCAN-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581105155 505910289 /nfs/dbraw/zinc/91/02/89/505910289.db2.gz OHFQOXMKFDYCAN-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581105155 505910291 /nfs/dbraw/zinc/91/02/91/505910291.db2.gz OHFQOXMKFDYCAN-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193868749 497506801 /nfs/dbraw/zinc/50/68/01/497506801.db2.gz CJNQZGWGBGQZGV-INIZCTEOSA-N 2 1 352.567 3.059 20 0 FGADMP Fc1ccc(C(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c2ccc(F)cc2)cc1 ZINC000262107101 497509682 /nfs/dbraw/zinc/50/96/82/497509682.db2.gz JSLMNELBKYRGKG-NRFANRHFSA-N 2 1 371.475 3.076 20 0 FGADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000262146474 497515651 /nfs/dbraw/zinc/51/56/51/497515651.db2.gz MVDBEPANCWSFPL-IXDOHACOSA-N 2 1 365.315 3.394 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCSCc2ccccc2)C1 ZINC000193917832 497519929 /nfs/dbraw/zinc/51/99/29/497519929.db2.gz WQNDTPRRPUPKOL-NRFANRHFSA-N 2 1 356.535 3.276 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262261725 497531532 /nfs/dbraw/zinc/53/15/32/497531532.db2.gz JLXOJAMMAFNCGQ-IKCASOAWSA-N 2 1 369.553 3.309 20 0 FGADMP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNc3cc[nH+]cc3Cl)c2)C1 ZINC000267426304 497549392 /nfs/dbraw/zinc/54/93/92/497549392.db2.gz VNSKWIJVHGDLIF-MRXNPFEDSA-N 2 1 358.873 3.044 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3cc[nH+]cc3Cl)c2)C1 ZINC000267426304 497549397 /nfs/dbraw/zinc/54/93/97/497549397.db2.gz VNSKWIJVHGDLIF-MRXNPFEDSA-N 2 1 358.873 3.044 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000262660008 497594509 /nfs/dbraw/zinc/59/45/09/497594509.db2.gz FUMHYGNTUSQDNC-WTOYTKOKSA-N 2 1 365.521 3.276 20 0 FGADMP COc1cc(Br)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1O ZINC000272350375 497605118 /nfs/dbraw/zinc/60/51/18/497605118.db2.gz DBGXYJZHCPZNHZ-LLVKDONJSA-N 2 1 368.275 3.094 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262772157 497617768 /nfs/dbraw/zinc/61/77/68/497617768.db2.gz JAZXHRYVFHNZKK-NZQKXSOJSA-N 2 1 365.521 3.231 20 0 FGADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139476 497634335 /nfs/dbraw/zinc/63/43/35/497634335.db2.gz DBCXSSFZWCVEQO-HOCLYGCPSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246139476 497634341 /nfs/dbraw/zinc/63/43/41/497634341.db2.gz DBCXSSFZWCVEQO-HOCLYGCPSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851591 497637831 /nfs/dbraw/zinc/63/78/31/497637831.db2.gz KDBVEYOSGONOHG-MBSDFSHPSA-N 2 1 365.521 3.409 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000246148959 497638849 /nfs/dbraw/zinc/63/88/49/497638849.db2.gz KCJBFWJDCRQLKO-TYPHKJRUSA-N 2 1 374.573 3.064 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@@H]2CCC[C@H]21 ZINC000572229116 505919717 /nfs/dbraw/zinc/91/97/17/505919717.db2.gz CRBQSPWGPZENHZ-AEGPPILISA-N 2 1 367.287 3.140 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)[C@@H](C)C1 ZINC000276745292 497642645 /nfs/dbraw/zinc/64/26/45/497642645.db2.gz GZDCQBBNKRGCMI-YOEHRIQHSA-N 2 1 373.522 3.417 20 0 FGADMP C[C@H]([NH2+]CCNC(=O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529232 497652653 /nfs/dbraw/zinc/65/26/53/497652653.db2.gz AIIJNQRUSDOVKH-HKUYNNGSSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565371 497664352 /nfs/dbraw/zinc/66/43/52/497664352.db2.gz SNNPKMUFTSHWDT-JYAXBFRTSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565371 497664354 /nfs/dbraw/zinc/66/43/54/497664354.db2.gz SNNPKMUFTSHWDT-JYAXBFRTSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565371 497664355 /nfs/dbraw/zinc/66/43/55/497664355.db2.gz SNNPKMUFTSHWDT-JYAXBFRTSA-N 2 1 372.557 3.021 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000268091758 497676756 /nfs/dbraw/zinc/67/67/56/497676756.db2.gz IZQYNXBLPOXQCV-UHFFFAOYSA-N 2 1 372.538 3.204 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1 ZINC000268091758 497676758 /nfs/dbraw/zinc/67/67/58/497676758.db2.gz IZQYNXBLPOXQCV-UHFFFAOYSA-N 2 1 372.538 3.204 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246297535 497687395 /nfs/dbraw/zinc/68/73/95/497687395.db2.gz DXWWCLVJWKLSIF-DYXWJJEUSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246297535 497687399 /nfs/dbraw/zinc/68/73/99/497687399.db2.gz DXWWCLVJWKLSIF-DYXWJJEUSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246348019 497703445 /nfs/dbraw/zinc/70/34/45/497703445.db2.gz JOSYUAHWYBHFJM-HSALFYBXSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033824 497721853 /nfs/dbraw/zinc/72/18/53/497721853.db2.gz BIDLCJUTWOOQAF-INIZCTEOSA-N 2 1 368.319 3.194 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246409132 497724529 /nfs/dbraw/zinc/72/45/29/497724529.db2.gz DYTCHRQKVKHOJN-PMXSJFBMSA-N 2 1 372.557 3.212 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246444850 497736288 /nfs/dbraw/zinc/73/62/88/497736288.db2.gz UINAKJNJJNZVTJ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246444850 497736289 /nfs/dbraw/zinc/73/62/89/497736289.db2.gz UINAKJNJJNZVTJ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246444850 497736292 /nfs/dbraw/zinc/73/62/92/497736292.db2.gz UINAKJNJJNZVTJ-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(CC[NH2+]C1CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578378903 505926778 /nfs/dbraw/zinc/92/67/78/505926778.db2.gz SJHOPPZIBOATKZ-UHFFFAOYSA-N 2 1 370.324 3.216 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733006 497752700 /nfs/dbraw/zinc/75/27/00/497752700.db2.gz YQPCFTVKOQRTCV-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP CCOC(=O)c1csc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000277150039 497757058 /nfs/dbraw/zinc/75/70/58/497757058.db2.gz JMHJWGYGCTVMDA-UHFFFAOYSA-N 2 1 362.499 3.094 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750755 497760060 /nfs/dbraw/zinc/76/00/60/497760060.db2.gz URCDHHZUKIOWMI-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000246568621 497777140 /nfs/dbraw/zinc/77/71/40/497777140.db2.gz ZHLNWZSVOMCGPL-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000246568621 497777141 /nfs/dbraw/zinc/77/71/41/497777141.db2.gz ZHLNWZSVOMCGPL-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000246568621 497777143 /nfs/dbraw/zinc/77/71/43/497777143.db2.gz ZHLNWZSVOMCGPL-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CCOCC2)cc1 ZINC000246812569 497813068 /nfs/dbraw/zinc/81/30/68/497813068.db2.gz AQLOFVHKKCQNFN-DBXWQHBBSA-N 2 1 360.542 3.452 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246818272 497813347 /nfs/dbraw/zinc/81/33/47/497813347.db2.gz NORAWANWJWOMNF-UWJYYQICSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246818272 497813348 /nfs/dbraw/zinc/81/33/48/497813348.db2.gz NORAWANWJWOMNF-UWJYYQICSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246818272 497813350 /nfs/dbraw/zinc/81/33/50/497813350.db2.gz NORAWANWJWOMNF-UWJYYQICSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246818272 497813351 /nfs/dbraw/zinc/81/33/51/497813351.db2.gz NORAWANWJWOMNF-UWJYYQICSA-N 2 1 371.525 3.363 20 0 FGADMP Cc1cccc(-c2noc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000246828325 497814307 /nfs/dbraw/zinc/81/43/07/497814307.db2.gz NZTHPLRWPIHPKY-PKOBYXMFSA-N 2 1 352.482 3.494 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000246850242 497816291 /nfs/dbraw/zinc/81/62/91/497816291.db2.gz VRTGWNVWRJDVNE-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000246850242 497816293 /nfs/dbraw/zinc/81/62/93/497816293.db2.gz VRTGWNVWRJDVNE-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000246850242 497816294 /nfs/dbraw/zinc/81/62/94/497816294.db2.gz VRTGWNVWRJDVNE-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000246850242 497816296 /nfs/dbraw/zinc/81/62/96/497816296.db2.gz VRTGWNVWRJDVNE-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000246850242 497816298 /nfs/dbraw/zinc/81/62/98/497816298.db2.gz VRTGWNVWRJDVNE-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246857466 497816994 /nfs/dbraw/zinc/81/69/94/497816994.db2.gz CLIIRWFWFGKLMN-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000364240186 497856471 /nfs/dbraw/zinc/85/64/71/497856471.db2.gz XAKXKSNJAKLEFH-UHFFFAOYSA-N 2 1 363.505 3.274 20 0 FGADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000292057328 497860170 /nfs/dbraw/zinc/86/01/70/497860170.db2.gz CFIZLBFXDKGTPW-HXUWFJFHSA-N 2 1 358.461 3.144 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292057328 497860176 /nfs/dbraw/zinc/86/01/76/497860176.db2.gz CFIZLBFXDKGTPW-HXUWFJFHSA-N 2 1 358.461 3.144 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292057328 497860182 /nfs/dbraw/zinc/86/01/82/497860182.db2.gz CFIZLBFXDKGTPW-HXUWFJFHSA-N 2 1 358.461 3.144 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442255 505940725 /nfs/dbraw/zinc/94/07/25/505940725.db2.gz GHVVHSOHUKFMFR-VXKWHMMOSA-N 2 1 371.569 3.130 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442255 505940728 /nfs/dbraw/zinc/94/07/28/505940728.db2.gz GHVVHSOHUKFMFR-VXKWHMMOSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699549 498097219 /nfs/dbraw/zinc/09/72/19/498097219.db2.gz TZGFXXAWXQOWHF-IITNATTFSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699549 498097224 /nfs/dbraw/zinc/09/72/24/498097224.db2.gz TZGFXXAWXQOWHF-IITNATTFSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699549 498097228 /nfs/dbraw/zinc/09/72/28/498097228.db2.gz TZGFXXAWXQOWHF-IITNATTFSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699549 498097231 /nfs/dbraw/zinc/09/72/31/498097231.db2.gz TZGFXXAWXQOWHF-IITNATTFSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699552 498097651 /nfs/dbraw/zinc/09/76/51/498097651.db2.gz TZGFXXAWXQOWHF-QGQQZZQASA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699552 498097657 /nfs/dbraw/zinc/09/76/57/498097657.db2.gz TZGFXXAWXQOWHF-QGQQZZQASA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699552 498097663 /nfs/dbraw/zinc/09/76/63/498097663.db2.gz TZGFXXAWXQOWHF-QGQQZZQASA-N 2 1 364.537 3.500 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699552 498097668 /nfs/dbraw/zinc/09/76/68/498097668.db2.gz TZGFXXAWXQOWHF-QGQQZZQASA-N 2 1 364.537 3.500 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H](c4ccnn4C)C3)CC2)nc(C)[nH+]1 ZINC000575474623 505978687 /nfs/dbraw/zinc/97/86/87/505978687.db2.gz YDJFIFDOTQGYIS-PKOBYXMFSA-N 2 1 368.529 3.112 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285531719 498118783 /nfs/dbraw/zinc/11/87/83/498118783.db2.gz PEKXJULKBVMGEY-YIONKMFJSA-N 2 1 365.905 3.153 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CCC[N@H+](C)C3)c2c1C ZINC000301491455 498133326 /nfs/dbraw/zinc/13/33/26/498133326.db2.gz NNBZLZCXWDZZKZ-MRXNPFEDSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301491455 498133330 /nfs/dbraw/zinc/13/33/30/498133330.db2.gz NNBZLZCXWDZZKZ-MRXNPFEDSA-N 2 1 373.570 3.434 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419211 505984677 /nfs/dbraw/zinc/98/46/77/505984677.db2.gz NTGHGVPRCCNGSH-KJNZLNQQSA-N 2 1 372.557 3.182 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285616837 498148116 /nfs/dbraw/zinc/14/81/16/498148116.db2.gz JMAGRZWBBMDALH-XLBJILASSA-N 2 1 357.542 3.180 20 0 FGADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000289551191 498190532 /nfs/dbraw/zinc/19/05/32/498190532.db2.gz KHGYHORCCHCXCY-IBGZPJMESA-N 2 1 368.525 3.108 20 0 FGADMP CN(C)C(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000289551191 498190538 /nfs/dbraw/zinc/19/05/38/498190538.db2.gz KHGYHORCCHCXCY-IBGZPJMESA-N 2 1 368.525 3.108 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903317 498191530 /nfs/dbraw/zinc/19/15/30/498191530.db2.gz GTOKXFKWKICNPW-GOSISDBHSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903317 498191540 /nfs/dbraw/zinc/19/15/40/498191540.db2.gz GTOKXFKWKICNPW-GOSISDBHSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903317 498191552 /nfs/dbraw/zinc/19/15/52/498191552.db2.gz GTOKXFKWKICNPW-GOSISDBHSA-N 2 1 353.869 3.225 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN4CCCC[C@@H]4CO2)C3)cc1 ZINC000364927846 498214123 /nfs/dbraw/zinc/21/41/23/498214123.db2.gz CPJHCUNSNJGAHV-PFDCGNQRSA-N 2 1 369.553 3.025 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)c2cc1OCC ZINC000301743708 498248043 /nfs/dbraw/zinc/24/80/43/498248043.db2.gz GDCXEKWZBQZGDU-VBKZILBWSA-N 2 1 359.470 3.163 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)c2cc1OCC ZINC000301743708 498248050 /nfs/dbraw/zinc/24/80/50/498248050.db2.gz GDCXEKWZBQZGDU-VBKZILBWSA-N 2 1 359.470 3.163 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(Sc3ccccn3)o2)CC1 ZINC000293060820 498253840 /nfs/dbraw/zinc/25/38/40/498253840.db2.gz SSLQFVWZYLBDCZ-UHFFFAOYSA-N 2 1 374.554 3.333 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000360355289 498267220 /nfs/dbraw/zinc/26/72/20/498267220.db2.gz OSDZQJUMGNSKRC-SJLPKXTDSA-N 2 1 360.546 3.340 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CC1 ZINC000286030020 498272446 /nfs/dbraw/zinc/27/24/46/498272446.db2.gz KCPMTBKTEHDHFP-SFHVURJKSA-N 2 1 372.431 3.473 20 0 FGADMP C[C@@H]1C[C@@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169938 498293071 /nfs/dbraw/zinc/29/30/71/498293071.db2.gz WCQLQFOQHRCSFT-JRGCBEDISA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169938 498293085 /nfs/dbraw/zinc/29/30/85/498293085.db2.gz WCQLQFOQHRCSFT-JRGCBEDISA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169938 498293091 /nfs/dbraw/zinc/29/30/91/498293091.db2.gz WCQLQFOQHRCSFT-JRGCBEDISA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572620056 506013369 /nfs/dbraw/zinc/01/33/69/506013369.db2.gz URXOAHHIMZUOEL-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572620056 506013373 /nfs/dbraw/zinc/01/33/73/506013373.db2.gz URXOAHHIMZUOEL-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790248 498308795 /nfs/dbraw/zinc/30/87/95/498308795.db2.gz CSKYTYHDWZGURB-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790248 498308803 /nfs/dbraw/zinc/30/88/03/498308803.db2.gz CSKYTYHDWZGURB-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790248 498308810 /nfs/dbraw/zinc/30/88/10/498308810.db2.gz CSKYTYHDWZGURB-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790248 498308815 /nfs/dbraw/zinc/30/88/15/498308815.db2.gz CSKYTYHDWZGURB-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000572648300 506020054 /nfs/dbraw/zinc/02/00/54/506020054.db2.gz XDDLZYGAQFIEFZ-UHFFFAOYSA-N 2 1 352.486 3.247 20 0 FGADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)C2 ZINC000365241324 498369407 /nfs/dbraw/zinc/36/94/07/498369407.db2.gz LXIJOUWGDBOXKR-OAQYLSRUSA-N 2 1 365.521 3.244 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1cc(C)c(Cl)cc1C(C)C ZINC000569837386 506028947 /nfs/dbraw/zinc/02/89/47/506028947.db2.gz PLKPVXCQKDXHIK-INIZCTEOSA-N 2 1 365.905 3.306 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3cccc(O)c3)CC2)CC1 ZINC000581616601 506029581 /nfs/dbraw/zinc/02/95/81/506029581.db2.gz RMTHPPSSZZNUQO-KRWDZBQOSA-N 2 1 373.541 3.108 20 0 FGADMP CSCc1cnc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000293597842 498424128 /nfs/dbraw/zinc/42/41/28/498424128.db2.gz OQZNSFODQRZGMC-UHFFFAOYSA-N 2 1 351.541 3.236 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CC4)CC3)c2)C1 ZINC000581642917 506034871 /nfs/dbraw/zinc/03/48/71/506034871.db2.gz KWSYHBWXTZJEFN-LJQANCHMSA-N 2 1 355.526 3.196 20 0 FGADMP CCC[N@@H+](Cc1ccc(OC)cn1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000361985311 498448099 /nfs/dbraw/zinc/44/80/99/498448099.db2.gz GZWSQOUTRFKRIK-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@H+](Cc1ccc(OC)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361985311 498448102 /nfs/dbraw/zinc/44/81/02/498448102.db2.gz GZWSQOUTRFKRIK-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1ccc(OC)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361985311 498448109 /nfs/dbraw/zinc/44/81/09/498448109.db2.gz GZWSQOUTRFKRIK-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000293679523 498451874 /nfs/dbraw/zinc/45/18/74/498451874.db2.gz KGXLXRYYACBXMV-GXTWGEPZSA-N 2 1 373.360 3.324 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463336 /nfs/dbraw/zinc/46/33/36/498463336.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 2 1 350.503 3.136 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463348 /nfs/dbraw/zinc/46/33/48/498463348.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 2 1 350.503 3.136 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCCOc2c(OC)cccc2OC)C1 ZINC000290201349 498463358 /nfs/dbraw/zinc/46/33/58/498463358.db2.gz GQPCYKWBSXAAEP-KRWDZBQOSA-N 2 1 350.503 3.136 20 0 FGADMP Cc1ccc(-c2nc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cs2)cc1 ZINC000282375082 498485684 /nfs/dbraw/zinc/48/56/84/498485684.db2.gz ODIOYPWJDQJPMJ-UHFFFAOYSA-N 2 1 358.555 3.234 20 0 FGADMP CCc1nocc1C[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000293780101 498487508 /nfs/dbraw/zinc/48/75/08/498487508.db2.gz ZDVKCZUJMUZAHZ-UHFFFAOYSA-N 2 1 356.514 3.399 20 0 FGADMP CCc1nocc1C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000293780101 498487515 /nfs/dbraw/zinc/48/75/15/498487515.db2.gz ZDVKCZUJMUZAHZ-UHFFFAOYSA-N 2 1 356.514 3.399 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581677947 506042790 /nfs/dbraw/zinc/04/27/90/506042790.db2.gz UUVNJBXSFSYHGQ-QFIPXVFZSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581677947 506042791 /nfs/dbraw/zinc/04/27/91/506042791.db2.gz UUVNJBXSFSYHGQ-QFIPXVFZSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000581677947 506042792 /nfs/dbraw/zinc/04/27/92/506042792.db2.gz UUVNJBXSFSYHGQ-QFIPXVFZSA-N 2 1 373.585 3.331 20 0 FGADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000578888598 506045583 /nfs/dbraw/zinc/04/55/83/506045583.db2.gz GSJNVDJRQUGDKY-OALUTQOASA-N 2 1 366.546 3.123 20 0 FGADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@H](c1ncc[nH]1)c1ccccc1 ZINC000569921664 506047996 /nfs/dbraw/zinc/04/79/96/506047996.db2.gz AYAQMDBOFAFWSP-MOPGFXCFSA-N 2 1 354.498 3.265 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487611 498531463 /nfs/dbraw/zinc/53/14/63/498531463.db2.gz XHEYYVHRYWUIOE-JEVOJNTISA-N 2 1 352.469 3.283 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487611 498531468 /nfs/dbraw/zinc/53/14/68/498531468.db2.gz XHEYYVHRYWUIOE-JEVOJNTISA-N 2 1 352.469 3.283 20 0 FGADMP COCCn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293946981 498541020 /nfs/dbraw/zinc/54/10/20/498541020.db2.gz OROGEANECZVXMX-UHFFFAOYSA-N 2 1 368.525 3.018 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000293956448 498543716 /nfs/dbraw/zinc/54/37/16/498543716.db2.gz CDEDXPFFTPGAHN-FQEVSTJZSA-N 2 1 357.473 3.142 20 0 FGADMP COCCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000282562629 498560291 /nfs/dbraw/zinc/56/02/91/498560291.db2.gz DUIQDBPJNHLOEH-UHFFFAOYSA-N 2 1 361.574 3.331 20 0 FGADMP CC(C)c1[nH+]c(CNCC2([NH+]3CCCC3)CCOCC2)c2ccccn21 ZINC000581730448 506055291 /nfs/dbraw/zinc/05/52/91/506055291.db2.gz HSHXCJVJYQHXCE-UHFFFAOYSA-N 2 1 356.514 3.192 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC(F)F)c1 ZINC000578939594 506055593 /nfs/dbraw/zinc/05/55/93/506055593.db2.gz GZHRHZGIOSBFMZ-HNNXBMFYSA-N 2 1 354.441 3.460 20 0 FGADMP COc1nccnc1CNC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000294109965 498592746 /nfs/dbraw/zinc/59/27/46/498592746.db2.gz CVDHKNUABOLTNN-DYVFJYSZSA-N 2 1 364.852 3.060 20 0 FGADMP CCOC1CC(CNc2cc[nH+]c3ccc(C)cc23)([NH+]2CCOCC2)C1 ZINC000302828406 498592910 /nfs/dbraw/zinc/59/29/10/498592910.db2.gz OEKRCBOPYYQUCY-UHFFFAOYSA-N 2 1 355.482 3.225 20 0 FGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000297872118 498595155 /nfs/dbraw/zinc/59/51/55/498595155.db2.gz UPHUCOBVBHBILG-ROUUACIJSA-N 2 1 354.498 3.160 20 0 FGADMP CN(C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287083209 498621276 /nfs/dbraw/zinc/62/12/76/498621276.db2.gz MDBMWBMFQLHFCC-WCRBZPEASA-N 2 1 370.541 3.049 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000303078235 498646633 /nfs/dbraw/zinc/64/66/33/498646633.db2.gz SHBWJSXZIIGVQO-ICSRJNTNSA-N 2 1 363.521 3.130 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3ccnc(Cl)c3Cl)CC2)CC1 ZINC000290817090 498688451 /nfs/dbraw/zinc/68/84/51/498688451.db2.gz GRSQCDQZRSIBDL-UHFFFAOYSA-N 2 1 357.329 3.037 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000363182953 498691908 /nfs/dbraw/zinc/69/19/08/498691908.db2.gz KAYGKELADVSCAP-SFHVURJKSA-N 2 1 361.534 3.229 20 0 FGADMP CCOc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1O ZINC000298259169 498712982 /nfs/dbraw/zinc/71/29/82/498712982.db2.gz FJDUZTKYYQDFPK-UHFFFAOYSA-N 2 1 373.497 3.398 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592134 498761186 /nfs/dbraw/zinc/76/11/86/498761186.db2.gz XDHWKAMZKOAMCI-CEMLEFRQSA-N 2 1 368.521 3.235 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cn1cccn1 ZINC000363543208 498869959 /nfs/dbraw/zinc/86/99/59/498869959.db2.gz FCFNTIHMONCVLA-VDGAXYAQSA-N 2 1 354.498 3.217 20 0 FGADMP C[C@H]1CN(C(=O)Nc2ccn3ccnc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000570167622 506106240 /nfs/dbraw/zinc/10/62/40/506106240.db2.gz LLSGSBNYZNWHQL-QGZVFWFLSA-N 2 1 363.465 3.320 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467134 498941116 /nfs/dbraw/zinc/94/11/16/498941116.db2.gz BFJCCOSBIXQIGQ-HBFSDRIKSA-N 2 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467134 498941121 /nfs/dbraw/zinc/94/11/21/498941121.db2.gz BFJCCOSBIXQIGQ-HBFSDRIKSA-N 3 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467134 498941126 /nfs/dbraw/zinc/94/11/26/498941126.db2.gz BFJCCOSBIXQIGQ-HBFSDRIKSA-N 3 1 355.526 3.191 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271966 506117998 /nfs/dbraw/zinc/11/79/98/506117998.db2.gz MYWKKUDTVFXHAP-ZFWWWQNUSA-N 2 1 361.313 3.055 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579239718 506127255 /nfs/dbraw/zinc/12/72/55/506127255.db2.gz IWFFBLQHSJBLIV-KOZAUXTDSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579239718 506127258 /nfs/dbraw/zinc/12/72/58/506127258.db2.gz IWFFBLQHSJBLIV-KOZAUXTDSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000284329268 499089763 /nfs/dbraw/zinc/08/97/63/499089763.db2.gz LJXKWVBXNFCHJU-YLJYHZDGSA-N 2 1 362.477 3.459 20 0 FGADMP CCN1CCC[C@@H](C[N@H+](C)Cc2cnn(C(C)C)c2)[C@@H]1c1cnn(C)c1 ZINC000372513374 499136766 /nfs/dbraw/zinc/13/67/66/499136766.db2.gz CAEXXNDPZUEJNR-AZUAARDMSA-N 2 1 358.534 3.103 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cnn(C(C)C)c2)[C@@H]1c1cnn(C)c1 ZINC000372513374 499136769 /nfs/dbraw/zinc/13/67/69/499136769.db2.gz CAEXXNDPZUEJNR-AZUAARDMSA-N 2 1 358.534 3.103 20 0 FGADMP CO[C@@H](C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283946 499173559 /nfs/dbraw/zinc/17/35/59/499173559.db2.gz BKZFZDYLHSCZQB-PMACEKPBSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@@H](C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283946 499173561 /nfs/dbraw/zinc/17/35/61/499173561.db2.gz BKZFZDYLHSCZQB-PMACEKPBSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000370092186 499178769 /nfs/dbraw/zinc/17/87/69/499178769.db2.gz MBYPQQINBBOUJE-AVRDEDQJSA-N 2 1 353.510 3.454 20 0 FGADMP c1cc(CC[NH+]2CCC([NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000370093686 499179367 /nfs/dbraw/zinc/17/93/67/499179367.db2.gz UBBWVAXXTDTFON-QHAWAJNXSA-N 2 1 355.526 3.026 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c(C)nc2s1 ZINC000367334946 499183208 /nfs/dbraw/zinc/18/32/08/499183208.db2.gz SLFWGUHTFSCHCI-AEFFLSMTSA-N 2 1 355.511 3.190 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)c(C)nc2s1 ZINC000367334946 499183209 /nfs/dbraw/zinc/18/32/09/499183209.db2.gz SLFWGUHTFSCHCI-AEFFLSMTSA-N 2 1 355.511 3.190 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCOCC3)C[C@H](C)O1 ZINC000370312777 499208474 /nfs/dbraw/zinc/20/84/74/499208474.db2.gz BZDLGQYDINJHHA-LVCYWYKZSA-N 2 1 358.526 3.345 20 0 FGADMP C[N@@H+](CCCn1ccnc1)CC1CCN(C(=O)Nc2ccc(F)cc2)CC1 ZINC000367703309 499226788 /nfs/dbraw/zinc/22/67/88/499226788.db2.gz FXUXOEDLLWONCG-UHFFFAOYSA-N 2 1 373.476 3.288 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nnc2n1CCCCC2 ZINC000370573911 499232822 /nfs/dbraw/zinc/23/28/22/499232822.db2.gz MYQPUGBYDAOBDF-IEBWSBKVSA-N 2 1 353.514 3.005 20 0 FGADMP CC(C)[C@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000370682363 499243867 /nfs/dbraw/zinc/24/38/67/499243867.db2.gz QZIZUZYFNOXSSR-XNMUZJSGSA-N 2 1 364.578 3.010 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000370732662 499249562 /nfs/dbraw/zinc/24/95/62/499249562.db2.gz OOOWGDKRCLCYKU-HSALFYBXSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370732662 499249563 /nfs/dbraw/zinc/24/95/63/499249563.db2.gz OOOWGDKRCLCYKU-HSALFYBXSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000370732662 499249564 /nfs/dbraw/zinc/24/95/64/499249564.db2.gz OOOWGDKRCLCYKU-HSALFYBXSA-N 2 1 355.526 3.438 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000370764425 499252549 /nfs/dbraw/zinc/25/25/49/499252549.db2.gz ZRKTWFIUMCPSJW-QHCPKHFHSA-N 2 1 363.505 3.274 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000368042447 499258932 /nfs/dbraw/zinc/25/89/32/499258932.db2.gz LKMMFMPRAVQFCS-FKPGQJDZSA-N 2 1 366.509 3.033 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000368042447 499258934 /nfs/dbraw/zinc/25/89/34/499258934.db2.gz LKMMFMPRAVQFCS-FKPGQJDZSA-N 2 1 366.509 3.033 20 0 FGADMP C[C@@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000371007211 499279791 /nfs/dbraw/zinc/27/97/91/499279791.db2.gz HJPWJQURIHSGRT-RMVXJAJNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000371007211 499279792 /nfs/dbraw/zinc/27/97/92/499279792.db2.gz HJPWJQURIHSGRT-RMVXJAJNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000371007211 499279794 /nfs/dbraw/zinc/27/97/94/499279794.db2.gz HJPWJQURIHSGRT-RMVXJAJNSA-N 2 1 372.557 3.021 20 0 FGADMP CCN(C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@@H](C)C(C)C ZINC000371079940 499286865 /nfs/dbraw/zinc/28/68/65/499286865.db2.gz ZVIJXXLFUZFHSD-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000368349037 499287660 /nfs/dbraw/zinc/28/76/60/499287660.db2.gz PZODLMZIFXMBEI-XOBRGWDASA-N 2 1 366.440 3.067 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3ncc(C(C)(C)C)s3)CC2)CC1 ZINC000368451166 499297195 /nfs/dbraw/zinc/29/71/95/499297195.db2.gz UZUYAFKQWOHIBN-UHFFFAOYSA-N 2 1 350.576 3.089 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000368473535 499299483 /nfs/dbraw/zinc/29/94/83/499299483.db2.gz ICRFCYVCSQKGFN-QZTJIDSGSA-N 2 1 357.498 3.114 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000371265776 499303997 /nfs/dbraw/zinc/30/39/97/499303997.db2.gz FESOKRXKTOMLFF-MRXNPFEDSA-N 2 1 355.448 3.165 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000371265776 499303999 /nfs/dbraw/zinc/30/39/99/499303999.db2.gz FESOKRXKTOMLFF-MRXNPFEDSA-N 2 1 355.448 3.165 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(O)(c3ccccc3)CC2)C[C@H](C)O1 ZINC000368650925 499317239 /nfs/dbraw/zinc/31/72/39/499317239.db2.gz RHFVHLDIIQDWRA-IVCWUUCSSA-N 2 1 360.542 3.296 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000368994020 499354538 /nfs/dbraw/zinc/35/45/38/499354538.db2.gz XEQVCJMTNNLCDW-FDYSRKEFSA-N 2 1 364.578 3.061 20 0 FGADMP COc1ccccc1C[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000369182806 499375291 /nfs/dbraw/zinc/37/52/91/499375291.db2.gz IUNKSGMJWFOCLW-OAQYLSRUSA-N 2 1 373.585 3.366 20 0 FGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399016 499399729 /nfs/dbraw/zinc/39/97/29/499399729.db2.gz RQEYGCDNEVRYQD-NRFANRHFSA-N 2 1 359.558 3.173 20 0 FGADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515172 499411262 /nfs/dbraw/zinc/41/12/62/499411262.db2.gz HQMUKSDWYZBQPU-SZVBFZGTSA-N 2 1 374.554 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515172 499411263 /nfs/dbraw/zinc/41/12/63/499411263.db2.gz HQMUKSDWYZBQPU-SZVBFZGTSA-N 2 1 374.554 3.128 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000369662467 499433200 /nfs/dbraw/zinc/43/32/00/499433200.db2.gz QYRNMUNOQIDZNL-UHFFFAOYSA-N 2 1 372.557 3.064 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000373380088 499466365 /nfs/dbraw/zinc/46/63/65/499466365.db2.gz YXZKAPUWCZQQFI-OAQYLSRUSA-N 2 1 369.553 3.374 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373497195 499473264 /nfs/dbraw/zinc/47/32/64/499473264.db2.gz ZCZGPYUWHPTKDB-DAWZGUTISA-N 2 1 361.496 3.457 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373497195 499473265 /nfs/dbraw/zinc/47/32/65/499473265.db2.gz ZCZGPYUWHPTKDB-DAWZGUTISA-N 2 1 361.496 3.457 20 0 FGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373517797 499474609 /nfs/dbraw/zinc/47/46/09/499474609.db2.gz BBYQGJJZPPBICY-CBNMVNINSA-N 2 1 353.514 3.324 20 0 FGADMP COc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1SC ZINC000378297013 499498956 /nfs/dbraw/zinc/49/89/56/499498956.db2.gz SICPMNRGLRTEQI-GOSISDBHSA-N 2 1 363.571 3.017 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@]23CCOC3)c(C[NH+]2CCC[C@]23CCOC3)c1 ZINC000375278184 499502622 /nfs/dbraw/zinc/50/26/22/499502622.db2.gz KGPFNJXVVVYOPC-FGZHOGPDSA-N 2 1 356.510 3.196 20 0 FGADMP Cc1n[nH]cc1C1CC[NH+](CCC[NH+]2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000375390236 499513265 /nfs/dbraw/zinc/51/32/65/499513265.db2.gz JYLHZYPJACAJQW-UHFFFAOYSA-N 2 1 370.545 3.199 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)C1 ZINC000375593647 499536041 /nfs/dbraw/zinc/53/60/41/499536041.db2.gz YYOKFOAERJTNSP-OFAXGOBFSA-N 2 1 365.521 3.464 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622935 499541955 /nfs/dbraw/zinc/54/19/55/499541955.db2.gz HOUMROKIOJSUNH-CEMLEFRQSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000379622935 499541958 /nfs/dbraw/zinc/54/19/58/499541958.db2.gz HOUMROKIOJSUNH-CEMLEFRQSA-N 2 1 368.521 3.377 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000379622626 499542317 /nfs/dbraw/zinc/54/23/17/499542317.db2.gz GYVHAXRMWVBKMW-MISYRCLQSA-N 2 1 374.550 3.268 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000379622626 499542319 /nfs/dbraw/zinc/54/23/19/499542319.db2.gz GYVHAXRMWVBKMW-MISYRCLQSA-N 2 1 374.550 3.268 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389105746 499552282 /nfs/dbraw/zinc/55/22/82/499552282.db2.gz PBMVOCMEGIYPLU-XLIONFOSSA-N 2 1 352.478 3.458 20 0 FGADMP CC1(C)CCC[NH2+][C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390942964 499556186 /nfs/dbraw/zinc/55/61/86/499556186.db2.gz RLZACFICEGHHJO-NXEWRWPSSA-N 2 1 355.526 3.076 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296057 499598398 /nfs/dbraw/zinc/59/83/98/499598398.db2.gz LMXDLBDRUICIBK-GUDVDZBRSA-N 2 1 363.546 3.406 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CCc4ccccc4[C@@H]3CO)sc2C1 ZINC000376339716 499601517 /nfs/dbraw/zinc/60/15/17/499601517.db2.gz IGANCYPJPJTBDN-SFHVURJKSA-N 2 1 357.523 3.001 20 0 FGADMP CC(C)N1CCc2nc(CN3CCc4ccccc4[C@@H]3CO)sc2C1 ZINC000376339716 499601518 /nfs/dbraw/zinc/60/15/18/499601518.db2.gz IGANCYPJPJTBDN-SFHVURJKSA-N 2 1 357.523 3.001 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1-c1cccnc1 ZINC000376713864 499631198 /nfs/dbraw/zinc/63/11/98/499631198.db2.gz AMXXHDOETVZWBL-OAQYLSRUSA-N 2 1 374.488 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1nnc(-c2ccccc2)s1 ZINC000376805896 499635730 /nfs/dbraw/zinc/63/57/30/499635730.db2.gz YDELOPBYXABNKK-BPQIPLTHSA-N 2 1 372.538 3.184 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000377044551 499656659 /nfs/dbraw/zinc/65/66/59/499656659.db2.gz HEXSHRWOHJEFBL-MOPGFXCFSA-N 2 1 360.546 3.233 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000410352035 499656925 /nfs/dbraw/zinc/65/69/25/499656925.db2.gz HDNPFSZDXSLQDO-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000377166450 499667401 /nfs/dbraw/zinc/66/74/01/499667401.db2.gz DKACAUNGCKTGEY-UFYCRDLUSA-N 2 1 367.493 3.101 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000377166450 499667402 /nfs/dbraw/zinc/66/74/02/499667402.db2.gz DKACAUNGCKTGEY-UFYCRDLUSA-N 2 1 367.493 3.101 20 0 FGADMP C[C@H]1CN(Cc2csc(-c3ccco3)n2)CC[N@@H+]1C1CCN(C)CC1 ZINC000377179267 499668235 /nfs/dbraw/zinc/66/82/35/499668235.db2.gz QNHOVFNEXPGUEJ-HNNXBMFYSA-N 2 1 360.527 3.003 20 0 FGADMP C[C@H]1CN(Cc2csc(-c3ccco3)n2)CC[N@H+]1C1CCN(C)CC1 ZINC000377179267 499668236 /nfs/dbraw/zinc/66/82/36/499668236.db2.gz QNHOVFNEXPGUEJ-HNNXBMFYSA-N 2 1 360.527 3.003 20 0 FGADMP C[N@H+]1CC[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccnc1 ZINC000377255742 499674502 /nfs/dbraw/zinc/67/45/02/499674502.db2.gz IXXDTFCKPVMIIA-UGKGYDQZSA-N 3 1 356.558 3.461 20 0 FGADMP CN1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1cccnc1 ZINC000377255742 499674504 /nfs/dbraw/zinc/67/45/04/499674504.db2.gz IXXDTFCKPVMIIA-UGKGYDQZSA-N 3 1 356.558 3.461 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1cccs1 ZINC000579354136 506154751 /nfs/dbraw/zinc/15/47/51/506154751.db2.gz QTNYWYXVIULZFK-IAGOWNOFSA-N 2 1 358.507 3.377 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1cccs1 ZINC000579354136 506154754 /nfs/dbraw/zinc/15/47/54/506154754.db2.gz QTNYWYXVIULZFK-IAGOWNOFSA-N 2 1 358.507 3.377 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1C[C@@H](C)c2ccccc21 ZINC000377563684 499704872 /nfs/dbraw/zinc/70/48/72/499704872.db2.gz MBAAAKXXRCXACN-IIBYNOLFSA-N 2 1 367.541 3.209 20 0 FGADMP CN(Cc1ncc(C(C)(C)C)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377623328 499711937 /nfs/dbraw/zinc/71/19/37/499711937.db2.gz HVSUYBHSCWRPJJ-MRXNPFEDSA-N 2 1 350.576 3.041 20 0 FGADMP CN(Cc1ncc(C(C)(C)C)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623328 499711938 /nfs/dbraw/zinc/71/19/38/499711938.db2.gz HVSUYBHSCWRPJJ-MRXNPFEDSA-N 2 1 350.576 3.041 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626232 499712217 /nfs/dbraw/zinc/71/22/17/499712217.db2.gz MEAAAGDZOBJFSL-UGKGYDQZSA-N 2 1 357.542 3.173 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cn(C(C)C)nn3)CC2)nc(C(C)C)n1 ZINC000377687943 499720076 /nfs/dbraw/zinc/72/00/76/499720076.db2.gz BACPZNRFDBESIG-UHFFFAOYSA-N 2 1 371.533 3.182 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cn(C(C)C)nn3)CC2)nc(C(C)C)n1 ZINC000377687943 499720078 /nfs/dbraw/zinc/72/00/78/499720078.db2.gz BACPZNRFDBESIG-UHFFFAOYSA-N 2 1 371.533 3.182 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377706856 499722948 /nfs/dbraw/zinc/72/29/48/499722948.db2.gz UHCZZXSGZHCGMM-ICSRJNTNSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377706856 499722949 /nfs/dbraw/zinc/72/29/49/499722949.db2.gz UHCZZXSGZHCGMM-ICSRJNTNSA-N 2 1 373.541 3.011 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758678 499729594 /nfs/dbraw/zinc/72/95/94/499729594.db2.gz CXQXZJCIHZOKDM-SIKLNZKXSA-N 2 1 361.493 3.265 20 0 FGADMP CC(CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399592 499734563 /nfs/dbraw/zinc/73/45/63/499734563.db2.gz RNTWLEGCNKTJKD-FNAHDJPLSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515488 499750078 /nfs/dbraw/zinc/75/00/78/499750078.db2.gz HYEVZSZJASJAFT-TWOQFEAHSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515488 499750079 /nfs/dbraw/zinc/75/00/79/499750079.db2.gz HYEVZSZJASJAFT-TWOQFEAHSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000377988424 499753884 /nfs/dbraw/zinc/75/38/84/499753884.db2.gz CDTZOKYZMHQMFQ-QFBILLFUSA-N 2 1 369.509 3.163 20 0 FGADMP CCC(CC)N(CC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378070288 499757193 /nfs/dbraw/zinc/75/71/93/499757193.db2.gz OOLSWLMXRWSMCM-UHFFFAOYSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1nnc2n1CCCCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000378149581 499761047 /nfs/dbraw/zinc/76/10/47/499761047.db2.gz JPYRYYVEVVZTSF-SJORKVTESA-N 2 1 371.529 3.357 20 0 FGADMP CCc1ccc(C[N@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)nc1 ZINC000411579650 499765471 /nfs/dbraw/zinc/76/54/71/499765471.db2.gz FELNCNOVKCESQR-GHTZIAJQSA-N 2 1 355.530 3.283 20 0 FGADMP CCc1ccc(CN(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)nc1 ZINC000411579650 499765473 /nfs/dbraw/zinc/76/54/73/499765473.db2.gz FELNCNOVKCESQR-GHTZIAJQSA-N 2 1 355.530 3.283 20 0 FGADMP CCc1ccc(CN(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)nc1 ZINC000411579650 499765474 /nfs/dbraw/zinc/76/54/74/499765474.db2.gz FELNCNOVKCESQR-GHTZIAJQSA-N 2 1 355.530 3.283 20 0 FGADMP C[C@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411670006 499775604 /nfs/dbraw/zinc/77/56/04/499775604.db2.gz KPSJQKFABHELNW-WOIUINJBSA-N 2 1 358.526 3.441 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414313334 499776754 /nfs/dbraw/zinc/77/67/54/499776754.db2.gz OSXOQWPOIIIYTA-ZNLUXHQJSA-N 2 1 356.485 3.402 20 0 FGADMP CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411739504 499785022 /nfs/dbraw/zinc/78/50/22/499785022.db2.gz NOMZFVHHQWLJSH-FQEVSTJZSA-N 2 1 357.542 3.411 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738558 499825350 /nfs/dbraw/zinc/82/53/50/499825350.db2.gz PHEVJMGIKZHXQZ-STQMWFEESA-N 2 1 358.313 3.184 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC12CCOCC2 ZINC000414772489 499829294 /nfs/dbraw/zinc/82/92/94/499829294.db2.gz BWMHIEBSKRLHHH-CYBMUJFWSA-N 2 1 360.832 3.129 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC12CCOCC2 ZINC000414772489 499829296 /nfs/dbraw/zinc/82/92/96/499829296.db2.gz BWMHIEBSKRLHHH-CYBMUJFWSA-N 2 1 360.832 3.129 20 0 FGADMP CCOc1cc(C[NH2+]CC(C)(C)[NH3+])cc(Br)c1OC(F)F ZINC000414800730 499832487 /nfs/dbraw/zinc/83/24/87/499832487.db2.gz IKGQOYHGQKCCJH-UHFFFAOYSA-N 2 1 367.234 3.276 20 0 FGADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414817525 499834361 /nfs/dbraw/zinc/83/43/61/499834361.db2.gz AUHJUJWCSIIWSO-YOEHRIQHSA-N 2 1 366.431 3.428 20 0 FGADMP CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OC(F)F ZINC000414860934 499839012 /nfs/dbraw/zinc/83/90/12/499839012.db2.gz QVAQCJISYMJMAU-UHFFFAOYSA-N 2 1 367.234 3.148 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCC2)cc1OC ZINC000414885670 499841738 /nfs/dbraw/zinc/84/17/38/499841738.db2.gz PDPBFRPUZJACJM-UHFFFAOYSA-N 2 1 357.292 3.218 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C)c2)cc1 ZINC000414941335 499846895 /nfs/dbraw/zinc/84/68/95/499846895.db2.gz LNZRPLHRTPECTN-YWZLYKJASA-N 2 1 353.466 3.035 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414972644 499850188 /nfs/dbraw/zinc/85/01/88/499850188.db2.gz MQLKVMRFJFOZRO-OAHLLOKOSA-N 2 1 371.319 3.334 20 0 FGADMP COc1cc(C[NH2+][C@@H](CN)C2CCCC2)ccc1OCc1ccncc1 ZINC000415043603 499857477 /nfs/dbraw/zinc/85/74/77/499857477.db2.gz ARQBNUSTXBQZDK-IBGZPJMESA-N 2 1 355.482 3.276 20 0 FGADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OCc1ccncc1 ZINC000415043603 499857478 /nfs/dbraw/zinc/85/74/78/499857478.db2.gz ARQBNUSTXBQZDK-IBGZPJMESA-N 2 1 355.482 3.276 20 0 FGADMP c1sc(-c2ccccc2)nc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415050625 499858386 /nfs/dbraw/zinc/85/83/86/499858386.db2.gz IWIDYEOXDLSPHC-UHFFFAOYSA-N 2 1 356.539 3.116 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415065885 499860391 /nfs/dbraw/zinc/86/03/91/499860391.db2.gz NXHJKXNDLIERJS-KDOFPFPSSA-N 2 1 351.922 3.184 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415071123 499860683 /nfs/dbraw/zinc/86/06/83/499860683.db2.gz VYODRSVWEYWWJG-HNNXBMFYSA-N 2 1 371.319 3.464 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000415073457 499860997 /nfs/dbraw/zinc/86/09/97/499860997.db2.gz ZGHOUOAUNMKEET-KRWDZBQOSA-N 2 1 358.555 3.262 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@H]1C[NH3+] ZINC000415123202 499866396 /nfs/dbraw/zinc/86/63/96/499866396.db2.gz JEBSBURDQUQRNM-PKOBYXMFSA-N 2 1 361.493 3.351 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415898075 499925639 /nfs/dbraw/zinc/92/56/39/499925639.db2.gz GXGWXRJCRPGCGG-LPHOPBHVSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000415905505 499926483 /nfs/dbraw/zinc/92/64/83/499926483.db2.gz UXTPOSMMGWYYMW-GOSISDBHSA-N 2 1 366.509 3.392 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@@H+](C)Cc2ccccc2)c1 ZINC000415930781 499929635 /nfs/dbraw/zinc/92/96/35/499929635.db2.gz JOOKBZWFZPBZGB-UHFFFAOYSA-N 2 1 354.498 3.440 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954618 499932913 /nfs/dbraw/zinc/93/29/13/499932913.db2.gz KXFLEDOOJAOKHK-BLLLJJGKSA-N 2 1 372.435 3.358 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000421092798 499951058 /nfs/dbraw/zinc/95/10/58/499951058.db2.gz ODLYNVIDDWUMNW-FQEVSTJZSA-N 2 1 358.530 3.273 20 0 FGADMP C[C@H](CCNC(=O)NCC1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000428904666 499956029 /nfs/dbraw/zinc/95/60/29/499956029.db2.gz ICNXKCLGMXSJTK-GOSISDBHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417047785 499957296 /nfs/dbraw/zinc/95/72/96/499957296.db2.gz QXXJUJYCLUAIPK-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1ccc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c2ccccc12 ZINC000413446651 499959400 /nfs/dbraw/zinc/95/94/00/499959400.db2.gz VAIIEZPTSDDILY-UHFFFAOYSA-N 2 1 353.510 3.246 20 0 FGADMP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000416189163 499974285 /nfs/dbraw/zinc/97/42/85/499974285.db2.gz ACUNMJUDLDBMRT-ICSRJNTNSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189163 499974289 /nfs/dbraw/zinc/97/42/89/499974289.db2.gz ACUNMJUDLDBMRT-ICSRJNTNSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189163 499974291 /nfs/dbraw/zinc/97/42/91/499974291.db2.gz ACUNMJUDLDBMRT-ICSRJNTNSA-N 2 1 369.553 3.204 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214408 499983666 /nfs/dbraw/zinc/98/36/66/499983666.db2.gz BLAINYMJMCLCGC-IRLDBZIGSA-N 2 1 365.521 3.318 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000429192121 500022034 /nfs/dbraw/zinc/02/20/34/500022034.db2.gz ZGOFZFFCBLERKU-DYESRHJHSA-N 2 1 351.494 3.128 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000421351258 500023190 /nfs/dbraw/zinc/02/31/90/500023190.db2.gz MHQSVBUUBUQEHI-FNAHDJPLSA-N 2 1 369.553 3.135 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000429232930 500028261 /nfs/dbraw/zinc/02/82/61/500028261.db2.gz CRKOOUCWOHJBNF-MRXNPFEDSA-N 2 1 360.477 3.174 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(F)cc1 ZINC000429232930 500028264 /nfs/dbraw/zinc/02/82/64/500028264.db2.gz CRKOOUCWOHJBNF-MRXNPFEDSA-N 2 1 360.477 3.174 20 0 FGADMP COc1cc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1Br ZINC000425225414 500049506 /nfs/dbraw/zinc/04/95/06/500049506.db2.gz FVDRHQNUWRDGQY-RYUDHWBXSA-N 2 1 364.287 3.322 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000417396341 500059581 /nfs/dbraw/zinc/05/95/81/500059581.db2.gz FXOUJURWKZIVFX-MRXNPFEDSA-N 2 1 354.498 3.157 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522625 500092687 /nfs/dbraw/zinc/09/26/87/500092687.db2.gz PVCMHJACPZFDRM-OXJNMPFZSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585812 500108644 /nfs/dbraw/zinc/10/86/44/500108644.db2.gz UGWHXUFBPAPFMG-APWZRJJASA-N 2 1 361.555 3.294 20 0 FGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C(F)F)no1 ZINC000425458707 500111921 /nfs/dbraw/zinc/11/19/21/500111921.db2.gz NBUPLAMTWDGNQE-UHFFFAOYSA-N 2 1 351.401 3.141 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(C(F)F)no1 ZINC000425458707 500111926 /nfs/dbraw/zinc/11/19/26/500111926.db2.gz NBUPLAMTWDGNQE-UHFFFAOYSA-N 2 1 351.401 3.141 20 0 FGADMP CC(C)(C)N1CC[C@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000425485336 500120191 /nfs/dbraw/zinc/12/01/91/500120191.db2.gz TVZVEGKCUWWUKH-FQEVSTJZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000417644549 500135886 /nfs/dbraw/zinc/13/58/86/500135886.db2.gz AJPUHKOZRFJMOM-UWJYYQICSA-N 2 1 366.509 3.170 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000416861542 500140575 /nfs/dbraw/zinc/14/05/75/500140575.db2.gz XCALEMXQHJVDOE-KUHUBIRLSA-N 2 1 374.916 3.462 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000414104454 500154425 /nfs/dbraw/zinc/15/44/25/500154425.db2.gz FVXCVJRGMUYHKC-FXAWDEMLSA-N 2 1 354.494 3.421 20 0 FGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000421823905 500159758 /nfs/dbraw/zinc/15/97/58/500159758.db2.gz FWXMTPKKBOFPPW-HNNXBMFYSA-N 2 1 353.938 3.273 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421820745 500159863 /nfs/dbraw/zinc/15/98/63/500159863.db2.gz NOTFNIPCIZXUNA-NRFANRHFSA-N 2 1 363.521 3.293 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3C(=O)N(C)C)C2)CC1 ZINC000417741906 500161868 /nfs/dbraw/zinc/16/18/68/500161868.db2.gz AYDGXSVWPKNXCA-LJQANCHMSA-N 2 1 357.542 3.332 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3C(=O)N(C)C)C2)CC1 ZINC000417741906 500161871 /nfs/dbraw/zinc/16/18/71/500161871.db2.gz AYDGXSVWPKNXCA-LJQANCHMSA-N 2 1 357.542 3.332 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@H](C[NH3+])C3)cc2)C1 ZINC000416968517 500169268 /nfs/dbraw/zinc/16/92/68/500169268.db2.gz JHTUOBKJSDDJOG-DBXWQHBBSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000416968897 500169562 /nfs/dbraw/zinc/16/95/62/500169562.db2.gz BADPLZOGYSNKPW-ROUUACIJSA-N 2 1 372.557 3.330 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416970118 500170133 /nfs/dbraw/zinc/17/01/33/500170133.db2.gz MTONODFEDALZRC-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000416969902 500170172 /nfs/dbraw/zinc/17/01/72/500170172.db2.gz LXRXOSMQACOONW-UHFFFAOYSA-N 2 1 366.509 3.129 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000416977544 500173457 /nfs/dbraw/zinc/17/34/57/500173457.db2.gz QBYGTWJCUPAJFP-YLJYHZDGSA-N 2 1 358.530 3.002 20 0 FGADMP CN(C)C(=O)c1ccccc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417796446 500174187 /nfs/dbraw/zinc/17/41/87/500174187.db2.gz PTEQLRSPUPJDIC-HXUWFJFHSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1ccccc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000417796446 500174189 /nfs/dbraw/zinc/17/41/89/500174189.db2.gz PTEQLRSPUPJDIC-HXUWFJFHSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417796446 500174191 /nfs/dbraw/zinc/17/41/91/500174191.db2.gz PTEQLRSPUPJDIC-HXUWFJFHSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417796446 500174193 /nfs/dbraw/zinc/17/41/93/500174193.db2.gz PTEQLRSPUPJDIC-HXUWFJFHSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000416985559 500175749 /nfs/dbraw/zinc/17/57/49/500175749.db2.gz YOJBUPDOFZJIJT-RTBURBONSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416990510 500177507 /nfs/dbraw/zinc/17/75/07/500177507.db2.gz NFFGSOKIVAOCNR-OTWHNJEPSA-N 2 1 374.573 3.481 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000417850390 500183794 /nfs/dbraw/zinc/18/37/94/500183794.db2.gz FANQKBGQGRIFQZ-YWZLYKJASA-N 2 1 369.513 3.449 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000417859174 500185532 /nfs/dbraw/zinc/18/55/32/500185532.db2.gz QYLDTVKMSVFCLH-GIPAHHNCSA-N 2 1 367.497 3.011 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000417859539 500186019 /nfs/dbraw/zinc/18/60/19/500186019.db2.gz SBLGMVDUCKLECO-RLFYNMQTSA-N 2 1 355.486 3.011 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)c1 ZINC000417870427 500188185 /nfs/dbraw/zinc/18/81/85/500188185.db2.gz FXXVAQKMPZVZDJ-FXAWDEMLSA-N 2 1 360.546 3.187 20 0 FGADMP COc1ccccc1-c1ncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000430077112 500189016 /nfs/dbraw/zinc/18/90/16/500189016.db2.gz GKADUIZYQDBKQZ-IBGZPJMESA-N 2 1 366.509 3.316 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000417887194 500192601 /nfs/dbraw/zinc/19/26/01/500192601.db2.gz WWNWTAHIBZFBBF-XLIONFOSSA-N 2 1 360.546 3.248 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000417950166 500203113 /nfs/dbraw/zinc/20/31/13/500203113.db2.gz VVXYHDUDNBCINY-PCCBWWKXSA-N 2 1 366.509 3.211 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417980050 500208586 /nfs/dbraw/zinc/20/85/86/500208586.db2.gz JSVUUSFWDXNMMP-SJORKVTESA-N 2 1 354.498 3.026 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000425950066 500215633 /nfs/dbraw/zinc/21/56/33/500215633.db2.gz IRIVXZBTDZGXCO-YPAWHYETSA-N 2 1 372.553 3.320 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186683 500229566 /nfs/dbraw/zinc/22/95/66/500229566.db2.gz RTEUHSYUROVOIU-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000422186683 500229569 /nfs/dbraw/zinc/22/95/69/500229569.db2.gz RTEUHSYUROVOIU-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000422186683 500229571 /nfs/dbraw/zinc/22/95/71/500229571.db2.gz RTEUHSYUROVOIU-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000430552308 500252975 /nfs/dbraw/zinc/25/29/75/500252975.db2.gz NIXDQRWZKCBLBO-AWEZNQCLSA-N 2 1 367.921 3.306 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000430562171 500254767 /nfs/dbraw/zinc/25/47/67/500254767.db2.gz CSKLGJMFPQJBQS-UHFFFAOYSA-N 2 1 372.538 3.146 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000430560690 500254982 /nfs/dbraw/zinc/25/49/82/500254982.db2.gz XHCLYRHDRJEKHV-HNNXBMFYSA-N 2 1 356.308 3.083 20 0 FGADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430577546 500257430 /nfs/dbraw/zinc/25/74/30/500257430.db2.gz OBKHPVGNQQSXIZ-ZDUSSCGKSA-N 2 1 364.877 3.281 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418338137 500264877 /nfs/dbraw/zinc/26/48/77/500264877.db2.gz JQBWIWQULIYJMC-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CCCc1csc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426408452 500270389 /nfs/dbraw/zinc/27/03/89/500270389.db2.gz AUPMXCDAVQONMO-HOTGVXAUSA-N 2 1 351.560 3.417 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430704600 500272539 /nfs/dbraw/zinc/27/25/39/500272539.db2.gz IQTWHEHSEOHBKZ-PCCBWWKXSA-N 2 1 357.542 3.265 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430704598 500272660 /nfs/dbraw/zinc/27/26/60/500272660.db2.gz IQTWHEHSEOHBKZ-ACRUOGEOSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000422640954 500285240 /nfs/dbraw/zinc/28/52/40/500285240.db2.gz WPTCEWPSBLNAHS-MGPQQGTHSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)C[C@H](C)O1 ZINC000430800252 500287433 /nfs/dbraw/zinc/28/74/33/500287433.db2.gz QELBELYOTYEWKU-VTTQVYFUSA-N 2 1 371.525 3.155 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422729022 500290684 /nfs/dbraw/zinc/29/06/84/500290684.db2.gz HDXCHXMSGBJAJV-WTOYTKOKSA-N 3 1 359.558 3.293 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422728762 500291062 /nfs/dbraw/zinc/29/10/62/500291062.db2.gz GXKUEIZGYKIHPI-VDZJLULYSA-N 2 1 358.530 3.222 20 0 FGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000422769893 500295974 /nfs/dbraw/zinc/29/59/74/500295974.db2.gz VLWBBAVDWAZDPX-YOEHRIQHSA-N 2 1 356.432 3.341 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000422781151 500296714 /nfs/dbraw/zinc/29/67/14/500296714.db2.gz DTSZGGWELQQDMO-QAPCUYQASA-N 2 1 358.530 3.079 20 0 FGADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773851 500296804 /nfs/dbraw/zinc/29/68/04/500296804.db2.gz ZKXRSJXRJVOBQW-WSWWRLHASA-N 2 1 371.569 3.397 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422784520 500297130 /nfs/dbraw/zinc/29/71/30/500297130.db2.gz IPBUQICDOWXSGR-NJSLBKSFSA-N 2 1 364.486 3.034 20 0 FGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422815168 500302136 /nfs/dbraw/zinc/30/21/36/500302136.db2.gz XDGNQBSWEUKANJ-RBSFLKMASA-N 2 1 360.832 3.188 20 0 FGADMP Brc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000579493318 506188297 /nfs/dbraw/zinc/18/82/97/506188297.db2.gz FPEBREADTIXMDZ-UHFFFAOYSA-N 2 1 362.109 3.397 20 0 FGADMP CC[C@@H]([NH3+])CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418687763 500308218 /nfs/dbraw/zinc/30/82/18/500308218.db2.gz AIJTWMKAXBHSJC-OAQYLSRUSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903404 500313825 /nfs/dbraw/zinc/31/38/25/500313825.db2.gz OMRMMGSABLHUPM-RLLPEYFOSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903404 500313827 /nfs/dbraw/zinc/31/38/27/500313827.db2.gz OMRMMGSABLHUPM-RLLPEYFOSA-N 3 1 371.569 3.308 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])cc2)CC1 ZINC000431004414 500321027 /nfs/dbraw/zinc/32/10/27/500321027.db2.gz QZUYTNAIVUSWOM-SFTDATJTSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422947427 500321584 /nfs/dbraw/zinc/32/15/84/500321584.db2.gz PZUVNBVDPJFRNI-UDMCKFQASA-N 2 1 371.569 3.306 20 0 FGADMP COc1ccc([C@H](CN[C@H](C)C[C@@H]2CCCCC[NH2+]2)[NH+](C)C)cc1OC ZINC000422985484 500327203 /nfs/dbraw/zinc/32/72/03/500327203.db2.gz FAQYCUQZTIEJOE-NEWSRXKRSA-N 2 1 363.546 3.207 20 0 FGADMP CCc1ccc([C@H](COC)[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422990342 500328074 /nfs/dbraw/zinc/32/80/74/500328074.db2.gz BSLAGQWSGFAHNF-LQWHRVPQSA-N 2 1 356.466 3.375 20 0 FGADMP C[C@H](N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051039 500335731 /nfs/dbraw/zinc/33/57/31/500335731.db2.gz ZOMYQKVSCIBFDZ-LANGDILFSA-N 2 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051039 500335734 /nfs/dbraw/zinc/33/57/34/500335734.db2.gz ZOMYQKVSCIBFDZ-LANGDILFSA-N 3 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051039 500335736 /nfs/dbraw/zinc/33/57/36/500335736.db2.gz ZOMYQKVSCIBFDZ-LANGDILFSA-N 3 1 369.553 3.485 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050217 500335807 /nfs/dbraw/zinc/33/58/07/500335807.db2.gz YKRXFWOMJDSXPX-UWVAXJGDSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050217 500335808 /nfs/dbraw/zinc/33/58/08/500335808.db2.gz YKRXFWOMJDSXPX-UWVAXJGDSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050217 500335810 /nfs/dbraw/zinc/33/58/10/500335810.db2.gz YKRXFWOMJDSXPX-UWVAXJGDSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1Br ZINC000423066037 500337506 /nfs/dbraw/zinc/33/75/06/500337506.db2.gz CPFCNMLFILPUAL-HRCADAONSA-N 2 1 353.304 3.004 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423094461 500341224 /nfs/dbraw/zinc/34/12/24/500341224.db2.gz BWQVCBVYIUXPQM-OWCLPIDISA-N 2 1 357.420 3.423 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(I)cc1Cl ZINC000423104786 500343414 /nfs/dbraw/zinc/34/34/14/500343414.db2.gz YPGDUTLYSAIWGT-DTWKUNHWSA-N 2 1 352.647 3.160 20 0 FGADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423124133 500345333 /nfs/dbraw/zinc/34/53/33/500345333.db2.gz MCKSLFKTBSVPFC-XFBWCDHKSA-N 2 1 364.358 3.230 20 0 FGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136768 500347273 /nfs/dbraw/zinc/34/72/73/500347273.db2.gz ZHOOESGEJQZFIN-ODAXIHTASA-N 2 1 373.585 3.235 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141781 500347764 /nfs/dbraw/zinc/34/77/64/500347764.db2.gz RUKFZTVCNZDTKB-BXXSPATCSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141781 500347765 /nfs/dbraw/zinc/34/77/65/500347765.db2.gz RUKFZTVCNZDTKB-BXXSPATCSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000423141781 500347768 /nfs/dbraw/zinc/34/77/68/500347768.db2.gz RUKFZTVCNZDTKB-BXXSPATCSA-N 3 1 371.569 3.035 20 0 FGADMP Brc1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000423180359 500351576 /nfs/dbraw/zinc/35/15/76/500351576.db2.gz AXYHOSRXVJHEOZ-LJQANCHMSA-N 2 1 374.326 3.471 20 0 FGADMP COc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000579505177 506190764 /nfs/dbraw/zinc/19/07/64/506190764.db2.gz MMOULLHLDBFGFC-UHFFFAOYSA-N 2 1 371.319 3.000 20 0 FGADMP C[NH2+]CCC[NH2+][C@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000423199631 500354730 /nfs/dbraw/zinc/35/47/30/500354730.db2.gz KEIOJMKYBVNFEQ-CYBMUJFWSA-N 2 1 363.527 3.320 20 0 FGADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237892 500357631 /nfs/dbraw/zinc/35/76/31/500357631.db2.gz QIYWKPJDTBFIFP-CMPLNLGQSA-N 2 1 363.811 3.418 20 0 FGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423301039 500362211 /nfs/dbraw/zinc/36/22/11/500362211.db2.gz FEKPSDJUTNSKOS-UXHICEINSA-N 2 1 351.494 3.103 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423303393 500362639 /nfs/dbraw/zinc/36/26/39/500362639.db2.gz XAWYKTCNTSKOID-FUHWJXTLSA-N 2 1 367.559 3.029 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)sc2C1 ZINC000423294886 500362691 /nfs/dbraw/zinc/36/26/91/500362691.db2.gz DBXWNYKRDOXTMV-INIZCTEOSA-N 2 1 358.511 3.186 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)sc2C1 ZINC000423294886 500362693 /nfs/dbraw/zinc/36/26/93/500362693.db2.gz DBXWNYKRDOXTMV-INIZCTEOSA-N 2 1 358.511 3.186 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423361977 500367683 /nfs/dbraw/zinc/36/76/83/500367683.db2.gz HIDGPIQFFOUUAN-YLAKUSLOSA-N 2 1 374.479 3.460 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)C[C@@H](C)O1 ZINC000423410440 500371638 /nfs/dbraw/zinc/37/16/38/500371638.db2.gz CXMBGAJVEPIPFF-GPMSIDNRSA-N 2 1 359.514 3.013 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423429207 500374492 /nfs/dbraw/zinc/37/44/92/500374492.db2.gz JZSKOYXEPWXYMK-VQTJNVASSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](NC[C@H]1[NH2+]CCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436653 500375037 /nfs/dbraw/zinc/37/50/37/500375037.db2.gz SYIKNIVCYVIJBJ-VGOFRKELSA-N 2 1 353.510 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000427275567 500376627 /nfs/dbraw/zinc/37/66/27/500376627.db2.gz PQCAYPKHOXGZIW-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423509021 500380338 /nfs/dbraw/zinc/38/03/38/500380338.db2.gz LBWKCXZISXAKLH-RPCJCACASA-N 2 1 367.541 3.048 20 0 FGADMP COCCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000423514562 500381361 /nfs/dbraw/zinc/38/13/61/500381361.db2.gz UADATTYAYIJEOF-CBNMVNINSA-N 2 1 363.521 3.099 20 0 FGADMP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423518356 500381574 /nfs/dbraw/zinc/38/15/74/500381574.db2.gz ZQANLUVHMVCQEZ-JJBAYQRUSA-N 2 1 356.558 3.222 20 0 FGADMP CC(C)n1cc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000423564191 500384778 /nfs/dbraw/zinc/38/47/78/500384778.db2.gz LFMNGBHZACNNAR-SFHVURJKSA-N 2 1 355.530 3.108 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)C3(C[NH+](C)C)CCCCC3)sc2C1 ZINC000427454268 500395036 /nfs/dbraw/zinc/39/50/36/500395036.db2.gz XWVVVWLCQBKUGC-UHFFFAOYSA-N 2 1 364.559 3.360 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)C3(C[NH+](C)C)CCCCC3)sc2C1 ZINC000427454268 500395038 /nfs/dbraw/zinc/39/50/38/500395038.db2.gz XWVVVWLCQBKUGC-UHFFFAOYSA-N 2 1 364.559 3.360 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675274 500406656 /nfs/dbraw/zinc/40/66/56/500406656.db2.gz XIYJVPGGFVKKBZ-TZIWHRDSSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675274 500406659 /nfs/dbraw/zinc/40/66/59/500406659.db2.gz XIYJVPGGFVKKBZ-TZIWHRDSSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675274 500406660 /nfs/dbraw/zinc/40/66/60/500406660.db2.gz XIYJVPGGFVKKBZ-TZIWHRDSSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897079 500417431 /nfs/dbraw/zinc/41/74/31/500417431.db2.gz HCEDBTFJYJIMHT-KCZVDYSFSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000423972487 500427362 /nfs/dbraw/zinc/42/73/62/500427362.db2.gz PHDLWUVNEURENY-UWJYYQICSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000423972487 500427365 /nfs/dbraw/zinc/42/73/65/500427365.db2.gz PHDLWUVNEURENY-UWJYYQICSA-N 2 1 351.494 3.030 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000573442787 506194964 /nfs/dbraw/zinc/19/49/64/506194964.db2.gz QNXPHPFTOOTCHP-CIAFKFPVSA-N 2 1 369.553 3.407 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000420296150 500435759 /nfs/dbraw/zinc/43/57/59/500435759.db2.gz PZAVQADMOVPJMK-BDJLRTHQSA-N 2 1 356.297 3.158 20 0 FGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420302901 500437367 /nfs/dbraw/zinc/43/73/67/500437367.db2.gz MSJRHMPQCXJJJH-LJQANCHMSA-N 2 1 357.542 3.393 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312762 500438717 /nfs/dbraw/zinc/43/87/17/500438717.db2.gz OVRMFLGHALPRJQ-WBMJQRKESA-N 2 1 356.297 3.160 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309830 500438799 /nfs/dbraw/zinc/43/87/99/500438799.db2.gz FIVXDVYLNHVTOB-CHWSQXEVSA-N 2 1 361.287 3.075 20 0 FGADMP C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000420321904 500440872 /nfs/dbraw/zinc/44/08/72/500440872.db2.gz VZFIKAHCLDKURI-YLJYHZDGSA-N 2 1 357.523 3.013 20 0 FGADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000420321904 500440875 /nfs/dbraw/zinc/44/08/75/500440875.db2.gz VZFIKAHCLDKURI-YLJYHZDGSA-N 2 1 357.523 3.013 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000420318484 500440911 /nfs/dbraw/zinc/44/09/11/500440911.db2.gz OCOFBBVSQMUAAZ-OAQYLSRUSA-N 2 1 359.558 3.326 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320315 500441106 /nfs/dbraw/zinc/44/11/06/500441106.db2.gz BGDSKCZZOTVWQK-DZGCQCFKSA-N 2 1 353.304 3.197 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320315 500441108 /nfs/dbraw/zinc/44/11/08/500441108.db2.gz BGDSKCZZOTVWQK-DZGCQCFKSA-N 2 1 353.304 3.197 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903067 500441497 /nfs/dbraw/zinc/44/14/97/500441497.db2.gz MNKCMZOBCXPAST-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000420323361 500441661 /nfs/dbraw/zinc/44/16/61/500441661.db2.gz SZHLYUWJWNRODJ-CQSZACIVSA-N 2 1 357.420 3.356 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000420330964 500443065 /nfs/dbraw/zinc/44/30/65/500443065.db2.gz QIXFZOBOTTWBKE-ZDUSSCGKSA-N 2 1 359.297 3.060 20 0 FGADMP CC[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000424048718 500443434 /nfs/dbraw/zinc/44/34/34/500443434.db2.gz ZICCUKFOFKLSKX-PMACEKPBSA-N 2 1 357.542 3.134 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000420333209 500443509 /nfs/dbraw/zinc/44/35/09/500443509.db2.gz SMLMEKPFDHFJTB-UHOSZYNNSA-N 2 1 361.505 3.057 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338271 500443883 /nfs/dbraw/zinc/44/38/83/500443883.db2.gz KNZKHGRQQAKKDL-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338271 500443884 /nfs/dbraw/zinc/44/38/84/500443884.db2.gz KNZKHGRQQAKKDL-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1Cl ZINC000420337036 500444182 /nfs/dbraw/zinc/44/41/82/500444182.db2.gz NAZFIPQIACEVID-HKUYNNGSSA-N 2 1 361.917 3.299 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346975 500446345 /nfs/dbraw/zinc/44/63/45/500446345.db2.gz ZPJSQQMSTAYQJI-MOPGFXCFSA-N 2 1 351.494 3.490 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000420362404 500448026 /nfs/dbraw/zinc/44/80/26/500448026.db2.gz ODAMJFPZOOIBGN-UGKGYDQZSA-N 2 1 367.537 3.334 20 0 FGADMP COc1ccc([C@H](CN)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000420370689 500449456 /nfs/dbraw/zinc/44/94/56/500449456.db2.gz YXHFZTKWTRJFIE-OAQYLSRUSA-N 2 1 359.558 3.326 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000420370689 500449459 /nfs/dbraw/zinc/44/94/59/500449459.db2.gz YXHFZTKWTRJFIE-OAQYLSRUSA-N 2 1 359.558 3.326 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420375388 500449908 /nfs/dbraw/zinc/44/99/08/500449908.db2.gz SWILZYKLOFJNNA-NBJYBMASSA-N 2 1 371.550 3.320 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420375391 500450427 /nfs/dbraw/zinc/45/04/27/500450427.db2.gz SWILZYKLOFJNNA-RFZJPIJTSA-N 2 1 371.550 3.320 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378089 500451388 /nfs/dbraw/zinc/45/13/88/500451388.db2.gz BFLTZNKJUSAGKQ-HHXXYDBFSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378089 500451392 /nfs/dbraw/zinc/45/13/92/500451392.db2.gz BFLTZNKJUSAGKQ-HHXXYDBFSA-N 2 1 363.933 3.323 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000420377846 500451424 /nfs/dbraw/zinc/45/14/24/500451424.db2.gz LKDBHFCLPXRMGL-IEBWSBKVSA-N 2 1 351.560 3.450 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402053 500456165 /nfs/dbraw/zinc/45/61/65/500456165.db2.gz PXXMTFWMFKLBGZ-MTNREXPMSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402053 500456167 /nfs/dbraw/zinc/45/61/67/500456167.db2.gz PXXMTFWMFKLBGZ-MTNREXPMSA-N 2 1 369.553 3.207 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408232 500456869 /nfs/dbraw/zinc/45/68/69/500456869.db2.gz VWUJFIRJYDZWIE-CXAGYDPISA-N 2 1 353.869 3.272 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038156 500461516 /nfs/dbraw/zinc/46/15/16/500461516.db2.gz WYOQHTPPLFSSQO-HKUYNNGSSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038156 500461519 /nfs/dbraw/zinc/46/15/19/500461519.db2.gz WYOQHTPPLFSSQO-HKUYNNGSSA-N 2 1 365.477 3.491 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000428065479 500464491 /nfs/dbraw/zinc/46/44/91/500464491.db2.gz FNHBHPWABVPQBU-ZVDOUQERSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000428065479 500464493 /nfs/dbraw/zinc/46/44/93/500464493.db2.gz FNHBHPWABVPQBU-ZVDOUQERSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065479 500464494 /nfs/dbraw/zinc/46/44/94/500464494.db2.gz FNHBHPWABVPQBU-ZVDOUQERSA-N 2 1 357.542 3.278 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CC[N@@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000424275149 500480015 /nfs/dbraw/zinc/48/00/15/500480015.db2.gz ZVVCOZQLYAMTKX-BUPNWXMQSA-N 2 1 371.569 3.158 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000428244209 500486544 /nfs/dbraw/zinc/48/65/44/500486544.db2.gz XWZMXPFEQAJYSW-SSGKUCQKSA-N 2 1 372.553 3.054 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000420784489 500500500 /nfs/dbraw/zinc/50/05/00/500500500.db2.gz GZFZOSFUQQQRKQ-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCO1 ZINC000432347317 500502388 /nfs/dbraw/zinc/50/23/88/500502388.db2.gz MOGWQRNXYWCKJU-OAHLLOKOSA-N 2 1 360.420 3.218 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420797164 500503433 /nfs/dbraw/zinc/50/34/33/500503433.db2.gz GQVDZBGHSZIZES-MAKTXDPSSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCO1 ZINC000432356248 500504194 /nfs/dbraw/zinc/50/41/94/500504194.db2.gz HWOKJRRKYNVTIX-HNNXBMFYSA-N 2 1 362.905 3.321 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424432046 500504274 /nfs/dbraw/zinc/50/42/74/500504274.db2.gz HDLLPKNLBQQKKL-IBGZPJMESA-N 2 1 352.482 3.240 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424451756 500507709 /nfs/dbraw/zinc/50/77/09/500507709.db2.gz FOCKATWEXBZOTI-NSISKUIASA-N 2 1 358.530 3.130 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625847 506200708 /nfs/dbraw/zinc/20/07/08/506200708.db2.gz TWYNIDJCDPSWQM-CTNGQTDRSA-N 2 1 364.489 3.412 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428457947 500512733 /nfs/dbraw/zinc/51/27/33/500512733.db2.gz IAJUZXYAETXXGG-PCCBWWKXSA-N 2 1 371.569 3.429 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625847 506200712 /nfs/dbraw/zinc/20/07/12/506200712.db2.gz TWYNIDJCDPSWQM-CTNGQTDRSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625847 506200715 /nfs/dbraw/zinc/20/07/15/506200715.db2.gz TWYNIDJCDPSWQM-CTNGQTDRSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625847 506200717 /nfs/dbraw/zinc/20/07/17/506200717.db2.gz TWYNIDJCDPSWQM-CTNGQTDRSA-N 2 1 364.489 3.412 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000420949490 500538803 /nfs/dbraw/zinc/53/88/03/500538803.db2.gz QHNVYSVDUIVSLF-SIKLNZKXSA-N 2 1 371.569 3.261 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000428694403 500544842 /nfs/dbraw/zinc/54/48/42/500544842.db2.gz BDQCIDYOASVRGM-OAQYLSRUSA-N 2 1 372.557 3.197 20 0 FGADMP Fc1ccc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)sc2c1 ZINC000432745328 500556863 /nfs/dbraw/zinc/55/68/63/500556863.db2.gz SSNPEAKBSQQZLG-UHFFFAOYSA-N 2 1 363.502 3.370 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000432796652 500565325 /nfs/dbraw/zinc/56/53/25/500565325.db2.gz BFQFGXUYCPHMNJ-NRFANRHFSA-N 3 1 358.574 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000432796652 500565327 /nfs/dbraw/zinc/56/53/27/500565327.db2.gz BFQFGXUYCPHMNJ-NRFANRHFSA-N 3 1 358.574 3.135 20 0 FGADMP Cc1ccccc1C[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000447406897 500601592 /nfs/dbraw/zinc/60/15/92/500601592.db2.gz XSUXBZRIIQSORV-UGKGYDQZSA-N 2 1 367.537 3.277 20 0 FGADMP CC(C)[C@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000447436283 500605742 /nfs/dbraw/zinc/60/57/42/500605742.db2.gz VOIUTKCRQLGJNO-JTHBVZDNSA-N 2 1 365.521 3.060 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759105 500621005 /nfs/dbraw/zinc/62/10/05/500621005.db2.gz KGBLOTJWSGHTKQ-IRXDYDNUSA-N 2 1 353.466 3.477 20 0 FGADMP C[NH+](C)CCOCC[NH2+][C@H](c1ccco1)c1ccc(Br)cc1 ZINC000447594756 500631467 /nfs/dbraw/zinc/63/14/67/500631467.db2.gz IDAKNOVLKCDFRH-KRWDZBQOSA-N 2 1 367.287 3.299 20 0 FGADMP CC1CC[NH+](Cc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2)CC1 ZINC000433139007 500633415 /nfs/dbraw/zinc/63/34/15/500633415.db2.gz VCQPAQBHVRWFLW-UHFFFAOYSA-N 2 1 372.557 3.060 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000442917188 500646517 /nfs/dbraw/zinc/64/65/17/500646517.db2.gz CPMIYWNCXUKUCK-OAHLLOKOSA-N 2 1 361.511 3.292 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1 ZINC000442917188 500646518 /nfs/dbraw/zinc/64/65/18/500646518.db2.gz CPMIYWNCXUKUCK-OAHLLOKOSA-N 2 1 361.511 3.292 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000442925107 500647683 /nfs/dbraw/zinc/64/76/83/500647683.db2.gz UGUGNMCLQPGNQX-GOSISDBHSA-N 2 1 361.493 3.495 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@H]21 ZINC000570682868 506213643 /nfs/dbraw/zinc/21/36/43/506213643.db2.gz RHXMZOHHOWQLHB-ZWQIFLOQSA-N 2 1 364.917 3.457 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@H]21 ZINC000570682868 506213644 /nfs/dbraw/zinc/21/36/44/506213644.db2.gz RHXMZOHHOWQLHB-ZWQIFLOQSA-N 2 1 364.917 3.457 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433565947 500713787 /nfs/dbraw/zinc/71/37/87/500713787.db2.gz XROOXIJXWXFGNP-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608407 500720833 /nfs/dbraw/zinc/72/08/33/500720833.db2.gz KDIDVRRNSBTLKE-RBUKOAKNSA-N 2 1 374.529 3.041 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209494 500733210 /nfs/dbraw/zinc/73/32/10/500733210.db2.gz RJHODYVXDSZYRV-WMZOPIPTSA-N 2 1 366.575 3.018 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215800 500733901 /nfs/dbraw/zinc/73/39/01/500733901.db2.gz ZTRHTDICBWLALF-PZJWPPBQSA-N 2 1 374.573 3.265 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443644681 500748939 /nfs/dbraw/zinc/74/89/39/500748939.db2.gz AASLIKBWPPXGOQ-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438347332 500774219 /nfs/dbraw/zinc/77/42/19/500774219.db2.gz SPGOMSIXFHKEMK-IBGZPJMESA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348437 500774354 /nfs/dbraw/zinc/77/43/54/500774354.db2.gz XKLCFBPEXLTDNB-XLIONFOSSA-N 2 1 364.578 3.155 20 0 FGADMP Fc1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc(F)c1F ZINC000582411041 506216769 /nfs/dbraw/zinc/21/67/69/506216769.db2.gz NYYGHFURDYGTLY-OAHLLOKOSA-N 2 1 366.387 3.118 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000438575294 500803526 /nfs/dbraw/zinc/80/35/26/500803526.db2.gz DBQBXBXRAXMYMU-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000438575294 500803528 /nfs/dbraw/zinc/80/35/28/500803528.db2.gz DBQBXBXRAXMYMU-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000438575294 500803529 /nfs/dbraw/zinc/80/35/29/500803529.db2.gz DBQBXBXRAXMYMU-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000438575294 500803533 /nfs/dbraw/zinc/80/35/33/500803533.db2.gz DBQBXBXRAXMYMU-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP C[C@@H]1CC[C@@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000444147057 500810071 /nfs/dbraw/zinc/81/00/71/500810071.db2.gz QXKDJESIMXOWRY-IEBWSBKVSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCn2cnnc2C2CC2)CC1 ZINC000438833821 500824377 /nfs/dbraw/zinc/82/43/77/500824377.db2.gz HBAGSVVREIHHLD-UHFFFAOYSA-N 2 1 353.514 3.188 20 0 FGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000434614520 500865752 /nfs/dbraw/zinc/86/57/52/500865752.db2.gz ABMWSBCLFJZIIC-OAQYLSRUSA-N 2 1 361.505 3.198 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444628837 500869821 /nfs/dbraw/zinc/86/98/21/500869821.db2.gz FBAAZYDGRHPIHI-UHFFFAOYSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688156 500879246 /nfs/dbraw/zinc/87/92/46/500879246.db2.gz IYKYKKFUALKMEV-IAGOWNOFSA-N 2 1 358.530 3.188 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)CCOCCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000434747097 500887928 /nfs/dbraw/zinc/88/79/28/500887928.db2.gz KZCGMINEXBKYHT-AZUAARDMSA-N 2 1 350.551 3.188 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4cc3OC)C2)CC1 ZINC000449023803 500901148 /nfs/dbraw/zinc/90/11/48/500901148.db2.gz UZCGSESDWHDBTL-OAQYLSRUSA-N 2 1 353.510 3.060 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cc1 ZINC000449072792 500917368 /nfs/dbraw/zinc/91/73/68/500917368.db2.gz GPOBZFKUJPNSNN-SFHVURJKSA-N 2 1 365.521 3.231 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449080826 500919337 /nfs/dbraw/zinc/91/93/37/500919337.db2.gz ZMFKFZGZEXKOMV-HNNXBMFYSA-N 2 1 359.283 3.133 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000449188725 500943772 /nfs/dbraw/zinc/94/37/72/500943772.db2.gz OETNXGKMXOHTSR-ZQMYSKGWSA-N 2 1 350.506 3.330 20 0 FGADMP COc1cc(C)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000449235666 500954599 /nfs/dbraw/zinc/95/45/99/500954599.db2.gz VHZZSPPUCRAVAR-NRFANRHFSA-N 2 1 354.494 3.250 20 0 FGADMP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267437 500961609 /nfs/dbraw/zinc/96/16/09/500961609.db2.gz ZJWXLXMSOUITJF-AAIMPIBUSA-N 2 1 374.569 3.238 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@H](C[NH3+])C[C@H]4C)cc3)nc12 ZINC000435375409 500962512 /nfs/dbraw/zinc/96/25/12/500962512.db2.gz UXIRBTGNXWXYOW-MJGOQNOKSA-N 2 1 364.493 3.391 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C)cc1 ZINC000435376680 500962840 /nfs/dbraw/zinc/96/28/40/500962840.db2.gz SXHWDVHOQNYECC-YOFSQIOKSA-N 2 1 368.525 3.272 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2C)cc1 ZINC000435376680 500962842 /nfs/dbraw/zinc/96/28/42/500962842.db2.gz SXHWDVHOQNYECC-YOFSQIOKSA-N 2 1 368.525 3.272 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000435377082 500963172 /nfs/dbraw/zinc/96/31/72/500963172.db2.gz XYDHWHBMBBAQBD-SFHVURJKSA-N 2 1 355.482 3.101 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000435377082 500963174 /nfs/dbraw/zinc/96/31/74/500963174.db2.gz XYDHWHBMBBAQBD-SFHVURJKSA-N 2 1 355.482 3.101 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000440191701 500986011 /nfs/dbraw/zinc/98/60/11/500986011.db2.gz VFTILHDMDNJIBX-FQEVSTJZSA-N 2 1 364.578 3.157 20 0 FGADMP COc1c(C)c[nH+]c(CN(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1C ZINC000435624976 501003603 /nfs/dbraw/zinc/00/36/03/501003603.db2.gz GQJVHLCZQZSRBQ-IBGZPJMESA-N 2 1 354.498 3.246 20 0 FGADMP c1csc(C[N@H+](CCc2ccc3c(c2)CCO3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435688496 501011922 /nfs/dbraw/zinc/01/19/22/501011922.db2.gz PUNXEZDIMFGWCG-IBGZPJMESA-N 2 1 369.534 3.265 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCCCCC1 ZINC000435696099 501013221 /nfs/dbraw/zinc/01/32/21/501013221.db2.gz TWEXKAJBIOJJJH-GOSISDBHSA-N 2 1 361.555 3.095 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)N1CCCCCC1 ZINC000435696099 501013225 /nfs/dbraw/zinc/01/32/25/501013225.db2.gz TWEXKAJBIOJJJH-GOSISDBHSA-N 2 1 361.555 3.095 20 0 FGADMP CCCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500237 501018725 /nfs/dbraw/zinc/01/87/25/501018725.db2.gz MSFCUSJYNJFTIW-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500237 501018726 /nfs/dbraw/zinc/01/87/26/501018726.db2.gz MSFCUSJYNJFTIW-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1cccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500237 501018729 /nfs/dbraw/zinc/01/87/29/501018729.db2.gz MSFCUSJYNJFTIW-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1cccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000449500237 501018731 /nfs/dbraw/zinc/01/87/31/501018731.db2.gz MSFCUSJYNJFTIW-QHCPKHFHSA-N 2 1 371.569 3.405 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504181 501020699 /nfs/dbraw/zinc/02/06/99/501020699.db2.gz QHQAVCLAESNITO-YUXAGFNASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504181 501020700 /nfs/dbraw/zinc/02/07/00/501020700.db2.gz QHQAVCLAESNITO-YUXAGFNASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504181 501020703 /nfs/dbraw/zinc/02/07/03/501020703.db2.gz QHQAVCLAESNITO-YUXAGFNASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504181 501020704 /nfs/dbraw/zinc/02/07/04/501020704.db2.gz QHQAVCLAESNITO-YUXAGFNASA-N 2 1 361.574 3.245 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000445972477 501056670 /nfs/dbraw/zinc/05/66/70/501056670.db2.gz WMFOHYOAOJUQHA-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000445972484 501057086 /nfs/dbraw/zinc/05/70/86/501057086.db2.gz WMUYJSZSBPVCHV-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674874 501059072 /nfs/dbraw/zinc/05/90/72/501059072.db2.gz XIAGZHLNJGAETL-DLBZAZTESA-N 2 1 358.448 3.390 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674874 501059076 /nfs/dbraw/zinc/05/90/76/501059076.db2.gz XIAGZHLNJGAETL-DLBZAZTESA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674874 501059080 /nfs/dbraw/zinc/05/90/80/501059080.db2.gz XIAGZHLNJGAETL-DLBZAZTESA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000449674874 501059083 /nfs/dbraw/zinc/05/90/83/501059083.db2.gz XIAGZHLNJGAETL-DLBZAZTESA-N 2 1 358.448 3.390 20 0 FGADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000436053610 501063633 /nfs/dbraw/zinc/06/36/33/501063633.db2.gz OKZXENGBAHKKMH-CYBMUJFWSA-N 2 1 365.930 3.374 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449751427 501075770 /nfs/dbraw/zinc/07/57/70/501075770.db2.gz YIPDTOMPDNREFW-XUVXKRRUSA-N 2 1 351.494 3.481 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449751427 501075773 /nfs/dbraw/zinc/07/57/73/501075773.db2.gz YIPDTOMPDNREFW-XUVXKRRUSA-N 2 1 351.494 3.481 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000449784743 501085679 /nfs/dbraw/zinc/08/56/79/501085679.db2.gz CEQJCOHBRRZJKG-UHFFFAOYSA-N 2 1 364.481 3.053 20 0 FGADMP Fc1cccc2[nH]c(C[NH2+]Cc3ccccc3C[NH+]3CCOCC3)cc21 ZINC000436269152 501098993 /nfs/dbraw/zinc/09/89/93/501098993.db2.gz IRWKVZTWOJCQMT-UHFFFAOYSA-N 2 1 353.441 3.429 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000441189360 501100567 /nfs/dbraw/zinc/10/05/67/501100567.db2.gz OAVHOXITDIURDO-NEWSRXKRSA-N 2 1 352.906 3.292 20 0 FGADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441438587 501139336 /nfs/dbraw/zinc/13/93/36/501139336.db2.gz RYRYEVISRSSYGB-HLAWJBBLSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441438587 501139340 /nfs/dbraw/zinc/13/93/40/501139340.db2.gz RYRYEVISRSSYGB-HLAWJBBLSA-N 2 1 355.526 3.156 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441449257 501141224 /nfs/dbraw/zinc/14/12/24/501141224.db2.gz IWGZCGFEKLMUAL-IFMALSPDSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441449257 501141227 /nfs/dbraw/zinc/14/12/27/501141227.db2.gz IWGZCGFEKLMUAL-IFMALSPDSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1 ZINC000441449257 501141229 /nfs/dbraw/zinc/14/12/29/501141229.db2.gz IWGZCGFEKLMUAL-IFMALSPDSA-N 2 1 369.553 3.294 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000446619622 501142811 /nfs/dbraw/zinc/14/28/11/501142811.db2.gz HTZJZRNWCIXOIK-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(O)C3)c2)C1 ZINC000450646909 501175532 /nfs/dbraw/zinc/17/55/32/501175532.db2.gz AMABJBQYIYCKST-PMACEKPBSA-N 2 1 366.933 3.034 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830551 501215430 /nfs/dbraw/zinc/21/54/30/501215430.db2.gz OHBXIXJFFKDQOI-WIYYLYMNSA-N 2 1 370.541 3.332 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830551 501215433 /nfs/dbraw/zinc/21/54/33/501215433.db2.gz OHBXIXJFFKDQOI-WIYYLYMNSA-N 2 1 370.541 3.332 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878765 501222849 /nfs/dbraw/zinc/22/28/49/501222849.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878765 501222851 /nfs/dbraw/zinc/22/28/51/501222851.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878765 501222852 /nfs/dbraw/zinc/22/28/52/501222852.db2.gz TXOCNTBSNWZYNZ-RBUKOAKNSA-N 2 1 364.603 3.468 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3CCC([N@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000450319465 501233244 /nfs/dbraw/zinc/23/32/44/501233244.db2.gz LVRQLZDHLBBKTI-INIZCTEOSA-N 2 1 357.498 3.303 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090388 501266915 /nfs/dbraw/zinc/26/69/15/501266915.db2.gz OSJVQOUIMICCRW-DLBZAZTESA-N 2 1 352.544 3.134 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090388 501266919 /nfs/dbraw/zinc/26/69/19/501266919.db2.gz OSJVQOUIMICCRW-DLBZAZTESA-N 2 1 352.544 3.134 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453109736 501270997 /nfs/dbraw/zinc/27/09/97/501270997.db2.gz AJZWYZRFJYLTAE-DENIHFKCSA-N 2 1 353.510 3.019 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453109736 501271000 /nfs/dbraw/zinc/27/10/00/501271000.db2.gz AJZWYZRFJYLTAE-DENIHFKCSA-N 2 1 353.510 3.019 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000457655181 501279083 /nfs/dbraw/zinc/27/90/83/501279083.db2.gz CGIUKXWEDWEOTL-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453211358 501291528 /nfs/dbraw/zinc/29/15/28/501291528.db2.gz HAGAULINZIZQTI-ACESQOTJSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219737 501293599 /nfs/dbraw/zinc/29/35/99/501293599.db2.gz TVTRVTKXXFPRFX-MSOLQXFVSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219737 501293601 /nfs/dbraw/zinc/29/36/01/501293601.db2.gz TVTRVTKXXFPRFX-MSOLQXFVSA-N 2 1 356.514 3.239 20 0 FGADMP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CC2 ZINC000453252985 501299992 /nfs/dbraw/zinc/29/99/92/501299992.db2.gz MYOWOBKDUGJDOV-IWQHBPENSA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)C2 ZINC000453252985 501299993 /nfs/dbraw/zinc/29/99/93/501299993.db2.gz MYOWOBKDUGJDOV-IWQHBPENSA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)C2 ZINC000453252985 501299994 /nfs/dbraw/zinc/29/99/94/501299994.db2.gz MYOWOBKDUGJDOV-IWQHBPENSA-N 2 1 350.510 3.300 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H](C)C1 ZINC000453333495 501316489 /nfs/dbraw/zinc/31/64/89/501316489.db2.gz ITGAVRCJNYTOEI-PBASOCQRSA-N 2 1 361.530 3.028 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540903 501317572 /nfs/dbraw/zinc/31/75/72/501317572.db2.gz XVTSFAPSTTZVGI-PKOBYXMFSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540903 501317574 /nfs/dbraw/zinc/31/75/74/501317574.db2.gz XVTSFAPSTTZVGI-PKOBYXMFSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540903 501317575 /nfs/dbraw/zinc/31/75/75/501317575.db2.gz XVTSFAPSTTZVGI-PKOBYXMFSA-N 2 1 361.505 3.153 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000453369256 501321143 /nfs/dbraw/zinc/32/11/43/501321143.db2.gz SXLKOULKDVJOIQ-PXNSSMCTSA-N 2 1 374.504 3.238 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000453369256 501321146 /nfs/dbraw/zinc/32/11/46/501321146.db2.gz SXLKOULKDVJOIQ-PXNSSMCTSA-N 2 1 374.504 3.238 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000453452359 501335731 /nfs/dbraw/zinc/33/57/31/501335731.db2.gz SCJVJHLGNYRXJT-KNKQGSTJSA-N 2 1 371.569 3.367 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000453621033 501364011 /nfs/dbraw/zinc/36/40/11/501364011.db2.gz LPFNJKGZVLAPCW-FQEVSTJZSA-N 2 1 356.470 3.129 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000458283931 501411634 /nfs/dbraw/zinc/41/16/34/501411634.db2.gz JERUNYRRVCWNKP-MRXNPFEDSA-N 2 1 373.472 3.225 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000458283931 501411636 /nfs/dbraw/zinc/41/16/36/501411636.db2.gz JERUNYRRVCWNKP-MRXNPFEDSA-N 2 1 373.472 3.225 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000458303691 501416006 /nfs/dbraw/zinc/41/60/06/501416006.db2.gz YIUWYPLLHGNBKT-UHFFFAOYSA-N 2 1 362.449 3.115 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373646 501429963 /nfs/dbraw/zinc/42/99/63/501429963.db2.gz IVOUPEILNNHVAI-NQIIRXRSSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)C1 ZINC000458373646 501429965 /nfs/dbraw/zinc/42/99/65/501429965.db2.gz IVOUPEILNNHVAI-NQIIRXRSSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000458373646 501429966 /nfs/dbraw/zinc/42/99/66/501429966.db2.gz IVOUPEILNNHVAI-NQIIRXRSSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000459342914 501635300 /nfs/dbraw/zinc/63/53/00/501635300.db2.gz YJHFEHLVJSFNGM-GOSISDBHSA-N 2 1 368.525 3.100 20 0 FGADMP Cc1cc(C)c(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000454866383 501645818 /nfs/dbraw/zinc/64/58/18/501645818.db2.gz FDCNPMBHCQLLRB-IBGZPJMESA-N 2 1 352.482 3.020 20 0 FGADMP C[N@H+](CC1CCC(F)(F)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000459434154 501653320 /nfs/dbraw/zinc/65/33/20/501653320.db2.gz UIYQEKGSLLTHGN-IBGZPJMESA-N 2 1 352.469 3.381 20 0 FGADMP C[N@@H+](CC1CCC(F)(F)CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000459434154 501653322 /nfs/dbraw/zinc/65/33/22/501653322.db2.gz UIYQEKGSLLTHGN-IBGZPJMESA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000459434154 501653324 /nfs/dbraw/zinc/65/33/24/501653324.db2.gz UIYQEKGSLLTHGN-IBGZPJMESA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000459434154 501653325 /nfs/dbraw/zinc/65/33/25/501653325.db2.gz UIYQEKGSLLTHGN-IBGZPJMESA-N 2 1 352.469 3.381 20 0 FGADMP C[N@H+](CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000457173956 501661944 /nfs/dbraw/zinc/66/19/44/501661944.db2.gz VWXOZZKXVOFHRD-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC1 ZINC000457173956 501661945 /nfs/dbraw/zinc/66/19/45/501661945.db2.gz VWXOZZKXVOFHRD-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000455115700 501690587 /nfs/dbraw/zinc/69/05/87/501690587.db2.gz MPQYPGQSTNKQGR-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000455115701 501690660 /nfs/dbraw/zinc/69/06/60/501690660.db2.gz MPQYPGQSTNKQGR-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459734291 501706177 /nfs/dbraw/zinc/70/61/77/501706177.db2.gz OKSKPWIPSIPZNN-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459736664 501706312 /nfs/dbraw/zinc/70/63/12/501706312.db2.gz QIANSJNTBMLJFB-HXUWFJFHSA-N 3 1 358.574 3.040 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000460107351 501727285 /nfs/dbraw/zinc/72/72/85/501727285.db2.gz IKJZPPMTXQEDCY-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000460107351 501727288 /nfs/dbraw/zinc/72/72/88/501727288.db2.gz IKJZPPMTXQEDCY-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000460107351 501727291 /nfs/dbraw/zinc/72/72/91/501727291.db2.gz IKJZPPMTXQEDCY-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286522 501733762 /nfs/dbraw/zinc/73/37/62/501733762.db2.gz CDZUECOVKGIJBS-SFHVURJKSA-N 2 1 370.541 3.273 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467374555 501780435 /nfs/dbraw/zinc/78/04/35/501780435.db2.gz YFJPKFQXQBMIGR-BFRACDOUSA-N 2 1 372.553 3.054 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000467374555 501780440 /nfs/dbraw/zinc/78/04/40/501780440.db2.gz YFJPKFQXQBMIGR-BFRACDOUSA-N 2 1 372.553 3.054 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1I ZINC000467381972 501781440 /nfs/dbraw/zinc/78/14/40/501781440.db2.gz OBPFMBHLBTZHGT-CABCVRRESA-N 2 1 370.278 3.316 20 0 FGADMP CN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470748693 501791078 /nfs/dbraw/zinc/79/10/78/501791078.db2.gz YRSMOYWBEZKLBD-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000611728281 506274560 /nfs/dbraw/zinc/27/45/60/506274560.db2.gz KJABGMVLTASGBB-IEBWSBKVSA-N 2 1 369.513 3.073 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000460381644 501810196 /nfs/dbraw/zinc/81/01/96/501810196.db2.gz SMKBIYYQMIOMDE-OAQYLSRUSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000460381644 501810202 /nfs/dbraw/zinc/81/02/02/501810202.db2.gz SMKBIYYQMIOMDE-OAQYLSRUSA-N 2 1 351.494 3.070 20 0 FGADMP Clc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400581 501821949 /nfs/dbraw/zinc/82/19/49/501821949.db2.gz XEUTXXMRZLAJAV-KXBFYZLASA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400581 501821954 /nfs/dbraw/zinc/82/19/54/501821954.db2.gz XEUTXXMRZLAJAV-KXBFYZLASA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400581 501821961 /nfs/dbraw/zinc/82/19/61/501821961.db2.gz XEUTXXMRZLAJAV-KXBFYZLASA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400581 501821965 /nfs/dbraw/zinc/82/19/65/501821965.db2.gz XEUTXXMRZLAJAV-KXBFYZLASA-N 2 1 371.916 3.369 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000460477911 501833641 /nfs/dbraw/zinc/83/36/41/501833641.db2.gz CWVKSFKQMNMSRQ-HZPDHXFCSA-N 2 1 357.502 3.270 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000460477911 501833644 /nfs/dbraw/zinc/83/36/44/501833644.db2.gz CWVKSFKQMNMSRQ-HZPDHXFCSA-N 2 1 357.502 3.270 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477943833 501835364 /nfs/dbraw/zinc/83/53/64/501835364.db2.gz BMSUDDZQJCNYHZ-FQEVSTJZSA-N 2 1 373.516 3.172 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477943833 501835371 /nfs/dbraw/zinc/83/53/71/501835371.db2.gz BMSUDDZQJCNYHZ-FQEVSTJZSA-N 2 1 373.516 3.172 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470899348 501846103 /nfs/dbraw/zinc/84/61/03/501846103.db2.gz WZRBCCVHVGKGOG-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470899348 501846107 /nfs/dbraw/zinc/84/61/07/501846107.db2.gz WZRBCCVHVGKGOG-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470899348 501846110 /nfs/dbraw/zinc/84/61/10/501846110.db2.gz WZRBCCVHVGKGOG-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743216 501858944 /nfs/dbraw/zinc/85/89/44/501858944.db2.gz JDWSYIJTIQSPSK-NEPJUHHUSA-N 2 1 351.438 3.049 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969418 501876551 /nfs/dbraw/zinc/87/65/51/501876551.db2.gz CBPYBWVQUJAMLT-PZJWPPBQSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969418 501876553 /nfs/dbraw/zinc/87/65/53/501876553.db2.gz CBPYBWVQUJAMLT-PZJWPPBQSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969418 501876554 /nfs/dbraw/zinc/87/65/54/501876554.db2.gz CBPYBWVQUJAMLT-PZJWPPBQSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969418 501876556 /nfs/dbraw/zinc/87/65/56/501876556.db2.gz CBPYBWVQUJAMLT-PZJWPPBQSA-N 2 1 368.521 3.243 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000474594774 501886768 /nfs/dbraw/zinc/88/67/68/501886768.db2.gz FZVRQPLKPOFEHV-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000474594774 501886770 /nfs/dbraw/zinc/88/67/70/501886770.db2.gz FZVRQPLKPOFEHV-LEWJYISDSA-N 2 1 373.516 3.267 20 0 FGADMP COc1ccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471016275 501891741 /nfs/dbraw/zinc/89/17/41/501891741.db2.gz CSYCXAWCYIXIMH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1ccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471016275 501891743 /nfs/dbraw/zinc/89/17/43/501891743.db2.gz CSYCXAWCYIXIMH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1ccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471016275 501891747 /nfs/dbraw/zinc/89/17/47/501891747.db2.gz CSYCXAWCYIXIMH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1ccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000471016275 501891750 /nfs/dbraw/zinc/89/17/50/501891750.db2.gz CSYCXAWCYIXIMH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)cc(Cl)c3)CC2)CC1 ZINC000485710145 501910318 /nfs/dbraw/zinc/91/03/18/501910318.db2.gz MDKJHEUMUXHILY-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471140670 501932404 /nfs/dbraw/zinc/93/24/04/501932404.db2.gz CIBYANYPQQISLJ-VLCRHTCISA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000468030564 501935325 /nfs/dbraw/zinc/93/53/25/501935325.db2.gz QLMDVPBOYSHTDA-ICSRJNTNSA-N 2 1 360.546 3.099 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995837 501939479 /nfs/dbraw/zinc/93/94/79/501939479.db2.gz XOOBCOOFZMMNDA-FGZHOGPDSA-N 2 1 351.494 3.279 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474798368 501956490 /nfs/dbraw/zinc/95/64/90/501956490.db2.gz KPRKDQJALZGCHM-MSYCTHLASA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000474798368 501956496 /nfs/dbraw/zinc/95/64/96/501956496.db2.gz KPRKDQJALZGCHM-MSYCTHLASA-N 2 1 368.521 3.414 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000478412572 501973867 /nfs/dbraw/zinc/97/38/67/501973867.db2.gz DHSNPPKJQDKBGP-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@@H](C)c1cccs1 ZINC000482162451 501993924 /nfs/dbraw/zinc/99/39/24/501993924.db2.gz HLDDZXIGYCCGLP-ULQDDVLXSA-N 2 1 351.560 3.416 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000471380782 502004822 /nfs/dbraw/zinc/00/48/22/502004822.db2.gz IREGTQUOTGQLHV-FQEVSTJZSA-N 2 1 369.509 3.227 20 0 FGADMP Cc1ccccc1C[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475024075 502025325 /nfs/dbraw/zinc/02/53/25/502025325.db2.gz OYWAYZWQWFVJRM-JOCHJYFZSA-N 2 1 365.521 3.379 20 0 FGADMP Cc1ccccc1C[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475024075 502025333 /nfs/dbraw/zinc/02/53/33/502025333.db2.gz OYWAYZWQWFVJRM-JOCHJYFZSA-N 2 1 365.521 3.379 20 0 FGADMP CCN(C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475028558 502027753 /nfs/dbraw/zinc/02/77/53/502027753.db2.gz LLVBOYLJEJGDKX-NRFANRHFSA-N 2 1 374.573 3.411 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259977 502054388 /nfs/dbraw/zinc/05/43/88/502054388.db2.gz GBWRDNQSILZXBF-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461259977 502054393 /nfs/dbraw/zinc/05/43/93/502054393.db2.gz GBWRDNQSILZXBF-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461259977 502054400 /nfs/dbraw/zinc/05/44/00/502054400.db2.gz GBWRDNQSILZXBF-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468426897 502056037 /nfs/dbraw/zinc/05/60/37/502056037.db2.gz FOIGPTMWYAMBGD-QHAWAJNXSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000482540808 502105061 /nfs/dbraw/zinc/10/50/61/502105061.db2.gz YVWSGFRFPLVFNL-MRXNPFEDSA-N 2 1 373.463 3.306 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000475277163 502115236 /nfs/dbraw/zinc/11/52/36/502115236.db2.gz DKAUNUALKUJAND-HTAPYJJXSA-N 2 1 357.542 3.216 20 0 FGADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000461472132 502126738 /nfs/dbraw/zinc/12/67/38/502126738.db2.gz KQQFZFHVXROXBI-NRFANRHFSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000475323373 502134396 /nfs/dbraw/zinc/13/43/96/502134396.db2.gz XWNBNIITWAEEKD-RTBURBONSA-N 2 1 370.578 3.172 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2c2ccc(C)cc2)CC1 ZINC000464881100 502136335 /nfs/dbraw/zinc/13/63/35/502136335.db2.gz QTZRLDIFUTURTN-LEWJYISDSA-N 2 1 357.542 3.163 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000461643570 502160874 /nfs/dbraw/zinc/16/08/74/502160874.db2.gz RNNLTAMCXORISJ-IBGZPJMESA-N 2 1 374.573 3.067 20 0 FGADMP CC[C@@H](C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)[NH+](CC)CC ZINC000461642677 502160916 /nfs/dbraw/zinc/16/09/16/502160916.db2.gz NRWCFGBEQCCIMV-PMACEKPBSA-N 2 1 360.546 3.015 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468749594 502169143 /nfs/dbraw/zinc/16/91/43/502169143.db2.gz NNUKJOXJVPCLQM-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580830 502197714 /nfs/dbraw/zinc/19/77/14/502197714.db2.gz PXCUOXZWFWTIFH-QGZVFWFLSA-N 2 1 351.922 3.137 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035011 502206078 /nfs/dbraw/zinc/20/60/78/502206078.db2.gz LMHZUYYYAWAXLI-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035011 502206085 /nfs/dbraw/zinc/20/60/85/502206085.db2.gz LMHZUYYYAWAXLI-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000472035011 502206093 /nfs/dbraw/zinc/20/60/93/502206093.db2.gz LMHZUYYYAWAXLI-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000472035011 502206095 /nfs/dbraw/zinc/20/60/95/502206095.db2.gz LMHZUYYYAWAXLI-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000472040630 502208314 /nfs/dbraw/zinc/20/83/14/502208314.db2.gz GXGADNKSFSHASX-WIYYLYMNSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000472040630 502208320 /nfs/dbraw/zinc/20/83/20/502208320.db2.gz GXGADNKSFSHASX-WIYYLYMNSA-N 2 1 353.510 3.316 20 0 FGADMP CCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894713 502209750 /nfs/dbraw/zinc/20/97/50/502209750.db2.gz WWOXQISWHVPIJJ-QGZVFWFLSA-N 2 1 361.530 3.069 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000472089872 502227528 /nfs/dbraw/zinc/22/75/28/502227528.db2.gz XFZQUFPMCJCLKH-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000468922644 502231289 /nfs/dbraw/zinc/23/12/89/502231289.db2.gz KACFCODAFZCGPE-XMTFNYHQSA-N 2 1 359.514 3.107 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000468922644 502231294 /nfs/dbraw/zinc/23/12/94/502231294.db2.gz KACFCODAFZCGPE-XMTFNYHQSA-N 2 1 359.514 3.107 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472117547 502238714 /nfs/dbraw/zinc/23/87/14/502238714.db2.gz JWUOJAAEOCUXLQ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163677 502254312 /nfs/dbraw/zinc/25/43/12/502254312.db2.gz ULMUYWFDUCMEKR-FGZHOGPDSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163677 502254316 /nfs/dbraw/zinc/25/43/16/502254316.db2.gz ULMUYWFDUCMEKR-FGZHOGPDSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163677 502254324 /nfs/dbraw/zinc/25/43/24/502254324.db2.gz ULMUYWFDUCMEKR-FGZHOGPDSA-N 2 1 360.542 3.151 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000479436773 502259737 /nfs/dbraw/zinc/25/97/37/502259737.db2.gz KUGHCOFKFYCLGJ-BVGQSLNGSA-N 2 1 367.331 3.119 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436773 502259743 /nfs/dbraw/zinc/25/97/43/502259743.db2.gz KUGHCOFKFYCLGJ-BVGQSLNGSA-N 2 1 367.331 3.119 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475726401 502265995 /nfs/dbraw/zinc/26/59/95/502265995.db2.gz SXDOYIMJXFPBKN-GOSISDBHSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000475726401 502266000 /nfs/dbraw/zinc/26/60/00/502266000.db2.gz SXDOYIMJXFPBKN-GOSISDBHSA-N 2 1 361.461 3.413 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462009950 502271555 /nfs/dbraw/zinc/27/15/55/502271555.db2.gz MJCBMKMDAFAHFE-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278850 /nfs/dbraw/zinc/27/88/50/502278850.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278854 /nfs/dbraw/zinc/27/88/54/502278854.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278858 /nfs/dbraw/zinc/27/88/58/502278858.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278863 /nfs/dbraw/zinc/27/88/63/502278863.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000483118236 502278866 /nfs/dbraw/zinc/27/88/66/502278866.db2.gz KIJZVHMMSBSZLD-WWNPGLIZSA-N 2 1 373.585 3.378 20 0 FGADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000472233001 502279800 /nfs/dbraw/zinc/27/98/00/502279800.db2.gz WCXORWOSEUPGCQ-XMSQKQJNSA-N 2 1 369.553 3.245 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000472267915 502291142 /nfs/dbraw/zinc/29/11/42/502291142.db2.gz KIODABVWUSMFFF-QGZVFWFLSA-N 2 1 357.498 3.092 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000472267915 502291146 /nfs/dbraw/zinc/29/11/46/502291146.db2.gz KIODABVWUSMFFF-QGZVFWFLSA-N 2 1 357.498 3.092 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000469086436 502291601 /nfs/dbraw/zinc/29/16/01/502291601.db2.gz SSYSNNORANUNNH-OKZBNKHCSA-N 2 1 361.530 3.186 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000469086436 502291605 /nfs/dbraw/zinc/29/16/05/502291605.db2.gz SSYSNNORANUNNH-OKZBNKHCSA-N 2 1 361.530 3.186 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000465559641 502307958 /nfs/dbraw/zinc/30/79/58/502307958.db2.gz AODDKJNYVIYPIF-RAFMOHDBSA-N 2 1 364.578 3.202 20 0 FGADMP NC(=O)c1csc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353928 502326042 /nfs/dbraw/zinc/32/60/42/502326042.db2.gz HEVYFDSPLMYFME-APWZRJJASA-N 2 1 357.523 3.019 20 0 FGADMP Cn1nnc2cc(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370013 502332213 /nfs/dbraw/zinc/33/22/13/502332213.db2.gz OXGNYOXJNWNDNB-TZIWHRDSSA-N 2 1 363.509 3.140 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653693 502338190 /nfs/dbraw/zinc/33/81/90/502338190.db2.gz FWJRXIHISBQRRT-ICSRJNTNSA-N 2 1 360.546 3.114 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000479709877 502352845 /nfs/dbraw/zinc/35/28/45/502352845.db2.gz PRFLOMNUFHACRZ-IBGZPJMESA-N 2 1 352.567 3.158 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000487093885 502356268 /nfs/dbraw/zinc/35/62/68/502356268.db2.gz ZLUPPGQSNWCYDW-UHFFFAOYSA-N 2 1 362.518 3.045 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011713 502357231 /nfs/dbraw/zinc/35/72/31/502357231.db2.gz NWUJGZUZGWWNSU-OALUTQOASA-N 2 1 357.542 3.064 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000472467256 502361356 /nfs/dbraw/zinc/36/13/56/502361356.db2.gz YDCFWTOJQUJJLK-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766858 502377645 /nfs/dbraw/zinc/37/76/45/502377645.db2.gz YBPGPCLTFPHGSA-HHXCZETCSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766858 502377649 /nfs/dbraw/zinc/37/76/49/502377649.db2.gz YBPGPCLTFPHGSA-HHXCZETCSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766858 502377651 /nfs/dbraw/zinc/37/76/51/502377651.db2.gz YBPGPCLTFPHGSA-HHXCZETCSA-N 2 1 370.541 3.136 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433406 502391529 /nfs/dbraw/zinc/39/15/29/502391529.db2.gz MSEZSIREMDLNAF-LESCRADOSA-N 2 1 366.347 3.348 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000480014033 502446158 /nfs/dbraw/zinc/44/61/58/502446158.db2.gz FEIDKEFSYPPRQK-KSSFIOAISA-N 2 1 359.495 3.237 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000480014033 502446162 /nfs/dbraw/zinc/44/61/62/502446162.db2.gz FEIDKEFSYPPRQK-KSSFIOAISA-N 2 1 359.495 3.237 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483630168 502447659 /nfs/dbraw/zinc/44/76/59/502447659.db2.gz XBWYQKITRCMJLC-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[N@H+]1C ZINC000487471854 502452752 /nfs/dbraw/zinc/45/27/52/502452752.db2.gz QGLAUWPIILCXLC-PKOBYXMFSA-N 2 1 360.546 3.097 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000466121231 502482636 /nfs/dbraw/zinc/48/26/36/502482636.db2.gz UYFCCFIAKNUSMB-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000588711612 506316997 /nfs/dbraw/zinc/31/69/97/506316997.db2.gz SRZISJMIXLYVNN-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000588711612 506317005 /nfs/dbraw/zinc/31/70/05/506317005.db2.gz SRZISJMIXLYVNN-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711903 506317371 /nfs/dbraw/zinc/31/73/71/506317371.db2.gz UZWZMUUMCKKWLD-CEXWTWQISA-N 2 1 373.541 3.143 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711903 506317374 /nfs/dbraw/zinc/31/73/74/506317374.db2.gz UZWZMUUMCKKWLD-CEXWTWQISA-N 2 1 373.541 3.143 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462617572 502509024 /nfs/dbraw/zinc/50/90/24/502509024.db2.gz LHSKAEJWJPAAMV-AABGKKOBSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462617572 502509029 /nfs/dbraw/zinc/50/90/29/502509029.db2.gz LHSKAEJWJPAAMV-AABGKKOBSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462617572 502509035 /nfs/dbraw/zinc/50/90/35/502509035.db2.gz LHSKAEJWJPAAMV-AABGKKOBSA-N 2 1 366.594 3.403 20 0 FGADMP Cc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@H](O)C3)c(C)c[nH+]c12 ZINC000462687143 502533847 /nfs/dbraw/zinc/53/38/47/502533847.db2.gz BJHWHRBZEDYJTO-FQEVSTJZSA-N 2 1 361.489 3.452 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000462714396 502545171 /nfs/dbraw/zinc/54/51/71/502545171.db2.gz FUMIIVZXIJKYNJ-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)[NH+](C)C)cc1 ZINC000476631422 502545320 /nfs/dbraw/zinc/54/53/20/502545320.db2.gz RLCPNFNSJPVJNH-VQTJNVASSA-N 2 1 360.546 3.025 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462740454 502554941 /nfs/dbraw/zinc/55/49/41/502554941.db2.gz BEVZWIKMWATZDC-NRFANRHFSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000473314278 502564207 /nfs/dbraw/zinc/56/42/07/502564207.db2.gz IIIYPJIVOHMDNC-LJQANCHMSA-N 2 1 367.484 3.212 20 0 FGADMP CC(C)c1cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000462815932 502586081 /nfs/dbraw/zinc/58/60/81/502586081.db2.gz KQNXHLHYUSQCPU-LJQANCHMSA-N 2 1 367.541 3.064 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000462824290 502588256 /nfs/dbraw/zinc/58/82/56/502588256.db2.gz DTWCBUJUZPYWPK-RDJZCZTQSA-N 2 1 358.486 3.122 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[NH+]2CC[C@@H](O)C2)c1 ZINC000462860401 502602360 /nfs/dbraw/zinc/60/23/60/502602360.db2.gz FZORVWXDRFGWQN-YSZBQJHXSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000462860401 502602366 /nfs/dbraw/zinc/60/23/66/502602366.db2.gz FZORVWXDRFGWQN-YSZBQJHXSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000462860401 502602370 /nfs/dbraw/zinc/60/23/70/502602370.db2.gz FZORVWXDRFGWQN-YSZBQJHXSA-N 2 1 365.521 3.186 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604391 502617699 /nfs/dbraw/zinc/61/76/99/502617699.db2.gz BEFMDXKCVOWCDJ-SJLPKXTDSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604391 502617705 /nfs/dbraw/zinc/61/77/05/502617705.db2.gz BEFMDXKCVOWCDJ-SJLPKXTDSA-N 2 1 357.464 3.371 20 0 FGADMP Brc1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc2c1OCO2 ZINC000470009886 502629087 /nfs/dbraw/zinc/62/90/87/502629087.db2.gz VEBNEBOJWILXAD-HNNXBMFYSA-N 2 1 367.287 3.142 20 0 FGADMP CCC[N@H+](Cc1cnc2ccc(Br)cn12)C1CC[NH2+]CC1 ZINC000470020423 502632730 /nfs/dbraw/zinc/63/27/30/502632730.db2.gz ZTVANERYEIJBBU-UHFFFAOYSA-N 2 1 351.292 3.061 20 0 FGADMP CCC[N@@H+](Cc1cnc2ccc(Br)cn12)C1CC[NH2+]CC1 ZINC000470020423 502632734 /nfs/dbraw/zinc/63/27/34/502632734.db2.gz ZTVANERYEIJBBU-UHFFFAOYSA-N 2 1 351.292 3.061 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654472 502633811 /nfs/dbraw/zinc/63/38/11/502633811.db2.gz SUDDGDKSFCAAGB-BVSLBCMMSA-N 2 1 359.558 3.158 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000470025246 502635028 /nfs/dbraw/zinc/63/50/28/502635028.db2.gz USTRQCHDGYSJLE-UHFFFAOYSA-N 2 1 354.420 3.414 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466723843 502655625 /nfs/dbraw/zinc/65/56/25/502655625.db2.gz ZFJZJIDPIVSCAP-FQEVSTJZSA-N 2 1 371.569 3.444 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(Cl)c1 ZINC000477041819 502656836 /nfs/dbraw/zinc/65/68/36/502656836.db2.gz GMQWWVFXDSAVKO-GOSISDBHSA-N 2 1 351.922 3.137 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488502413 502734277 /nfs/dbraw/zinc/73/42/77/502734277.db2.gz HWSMWTDUVXMJIT-SJBKTWHCSA-N 2 1 372.557 3.213 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000481033778 502735536 /nfs/dbraw/zinc/73/55/36/502735536.db2.gz HVDXLFVPOVCXEY-CGXNFDGLSA-N 2 1 367.622 3.470 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000463262980 502739755 /nfs/dbraw/zinc/73/97/55/502739755.db2.gz BNNFLENKJAGAKG-JYAXBFRTSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000463262980 502739757 /nfs/dbraw/zinc/73/97/57/502739757.db2.gz BNNFLENKJAGAKG-JYAXBFRTSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000463262980 502739764 /nfs/dbraw/zinc/73/97/64/502739764.db2.gz BNNFLENKJAGAKG-JYAXBFRTSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cccc(Br)c21 ZINC000481056076 502741766 /nfs/dbraw/zinc/74/17/66/502741766.db2.gz VHJDUYOWWHXDMM-IOASZLSFSA-N 2 1 353.304 3.044 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000470352618 502746323 /nfs/dbraw/zinc/74/63/23/502746323.db2.gz GOXMRBRFMOCVMZ-VGSWGCGISA-N 2 1 363.505 3.415 20 0 FGADMP C[C@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000463336140 502763229 /nfs/dbraw/zinc/76/32/29/502763229.db2.gz QAJYBNSRVAWARA-IXDOHACOSA-N 2 1 356.514 3.403 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000467051615 502772100 /nfs/dbraw/zinc/77/21/00/502772100.db2.gz QLDPOUUTFPYDRZ-QFIPXVFZSA-N 2 1 365.521 3.072 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992049 502794116 /nfs/dbraw/zinc/79/41/16/502794116.db2.gz XFRJUYPNLUZZMH-RRMPHLOHSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992049 502794118 /nfs/dbraw/zinc/79/41/18/502794118.db2.gz XFRJUYPNLUZZMH-RRMPHLOHSA-N 2 1 371.912 3.215 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000485043753 502809070 /nfs/dbraw/zinc/80/90/70/502809070.db2.gz UHFQBFFNGLZUEJ-UHFFFAOYSA-N 2 1 359.514 3.364 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000495380945 502831547 /nfs/dbraw/zinc/83/15/47/502831547.db2.gz SXECTPIVBIJYMS-IEBWSBKVSA-N 2 1 363.546 3.486 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000495380945 502831553 /nfs/dbraw/zinc/83/15/53/502831553.db2.gz SXECTPIVBIJYMS-IEBWSBKVSA-N 2 1 363.546 3.486 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000501062265 502925789 /nfs/dbraw/zinc/92/57/89/502925789.db2.gz IKDDCNKACQAVQL-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000501062265 502925790 /nfs/dbraw/zinc/92/57/90/502925790.db2.gz IKDDCNKACQAVQL-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000501062265 502925792 /nfs/dbraw/zinc/92/57/92/502925792.db2.gz IKDDCNKACQAVQL-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@H+]1CCc2ccccc2C1 ZINC000501193356 502956603 /nfs/dbraw/zinc/95/66/03/502956603.db2.gz FPAPJOBFKLQZGT-UHFFFAOYSA-N 2 1 374.573 3.054 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497509283 502975627 /nfs/dbraw/zinc/97/56/27/502975627.db2.gz WSKXTVIYCDZPCN-KSZLIROESA-N 2 1 353.457 3.122 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497509283 502975631 /nfs/dbraw/zinc/97/56/31/502975631.db2.gz WSKXTVIYCDZPCN-KSZLIROESA-N 2 1 353.457 3.122 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccccc1 ZINC000505760527 502980421 /nfs/dbraw/zinc/98/04/21/502980421.db2.gz TWRNUXRYQSCCPF-ZWKOTPCHSA-N 2 1 363.571 3.042 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(C)c2o1 ZINC000505801580 502988683 /nfs/dbraw/zinc/98/86/83/502988683.db2.gz KMVBTPINRXTQHQ-GOSISDBHSA-N 2 1 357.498 3.229 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000513667333 502995538 /nfs/dbraw/zinc/99/55/38/502995538.db2.gz QNILEKZDSYCMRV-BHYGNILZSA-N 2 1 350.890 3.464 20 0 FGADMP CS[C@H]1CCCC[NH+](CCOCC[N@@H+]2CCCC[C@H](SC)C2)C1 ZINC000489619906 502999820 /nfs/dbraw/zinc/99/98/20/502999820.db2.gz INKFCXYUGKSHAZ-ROUUACIJSA-N 2 1 360.633 3.438 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000513696604 503002875 /nfs/dbraw/zinc/00/28/75/503002875.db2.gz BEKJBTZMDRTNLH-HYVNUMGLSA-N 2 1 350.890 3.116 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)c1)[C@@H](CO)C(C)(C)C ZINC000489686826 503011755 /nfs/dbraw/zinc/01/17/55/503011755.db2.gz RPCLDNABRSOZRC-PMACEKPBSA-N 2 1 364.574 3.364 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501549966 503035458 /nfs/dbraw/zinc/03/54/58/503035458.db2.gz KCYRRFQQLYNZJX-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501593057 503045345 /nfs/dbraw/zinc/04/53/45/503045345.db2.gz JVGGKWBSMFLJIV-FQEVSTJZSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501593057 503045348 /nfs/dbraw/zinc/04/53/48/503045348.db2.gz JVGGKWBSMFLJIV-FQEVSTJZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000501734500 503069767 /nfs/dbraw/zinc/06/97/67/503069767.db2.gz OLPYDSVTLYFRES-PMACEKPBSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000514028090 503072043 /nfs/dbraw/zinc/07/20/43/503072043.db2.gz ZOMSCIGTMKNWOR-TZIWHRDSSA-N 2 1 372.557 3.243 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489955590 503075675 /nfs/dbraw/zinc/07/56/75/503075675.db2.gz KKRQJSCJUBHGOS-UHFFFAOYSA-N 2 1 357.951 3.201 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510306294 503088429 /nfs/dbraw/zinc/08/84/29/503088429.db2.gz JHNXJHIXGSGQGG-WIYYLYMNSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514145633 503098810 /nfs/dbraw/zinc/09/88/10/503098810.db2.gz OSRDOZRQZZBWOD-DNVCBOLYSA-N 2 1 351.922 3.181 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490167192 503121134 /nfs/dbraw/zinc/12/11/34/503121134.db2.gz GWVCZDAJVUUSNC-NQIIRXRSSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542871 503139271 /nfs/dbraw/zinc/13/92/71/503139271.db2.gz CRTAIOAJLMXNFQ-BWAGFHJFSA-N 2 1 365.521 3.377 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542871 503139277 /nfs/dbraw/zinc/13/92/77/503139277.db2.gz CRTAIOAJLMXNFQ-BWAGFHJFSA-N 2 1 365.521 3.377 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@H]1C ZINC000498257776 503144087 /nfs/dbraw/zinc/14/40/87/503144087.db2.gz FAYZUIJOGTUHIN-RTBURBONSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1C ZINC000498257775 503144279 /nfs/dbraw/zinc/14/42/79/503144279.db2.gz FAYZUIJOGTUHIN-RBUKOAKNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000498270601 503147516 /nfs/dbraw/zinc/14/75/16/503147516.db2.gz AQSOZFNSULSHOR-IOMROCGXSA-N 2 1 372.557 3.242 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510581831 503149238 /nfs/dbraw/zinc/14/92/38/503149238.db2.gz RMMASMQQWAHVKY-OAQYLSRUSA-N 2 1 368.525 3.185 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510581831 503149242 /nfs/dbraw/zinc/14/92/42/503149242.db2.gz RMMASMQQWAHVKY-OAQYLSRUSA-N 2 1 368.525 3.185 20 0 FGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000498403643 503179659 /nfs/dbraw/zinc/17/96/59/503179659.db2.gz WFCOHJSGRBPFAP-BAZKLHIFSA-N 2 1 372.557 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934687 503197092 /nfs/dbraw/zinc/19/70/92/503197092.db2.gz PKQCQWPDQOEYGI-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C1CCCC1 ZINC000514855036 503210760 /nfs/dbraw/zinc/21/07/60/503210760.db2.gz KAEANMASPPJDHA-QKLQHJQFSA-N 2 1 369.509 3.091 20 0 FGADMP CNC(=O)C1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000514937290 503231832 /nfs/dbraw/zinc/23/18/32/503231832.db2.gz IRDLABNUGJYJDE-MHJFOBGBSA-N 2 1 355.526 3.078 20 0 FGADMP CNC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000514937290 503231836 /nfs/dbraw/zinc/23/18/36/503231836.db2.gz IRDLABNUGJYJDE-MHJFOBGBSA-N 2 1 355.526 3.078 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490832769 503233350 /nfs/dbraw/zinc/23/33/50/503233350.db2.gz BKDPZWGWRYZMPN-RCZSKKKRSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490832769 503233352 /nfs/dbraw/zinc/23/33/52/503233352.db2.gz BKDPZWGWRYZMPN-RCZSKKKRSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490832769 503233356 /nfs/dbraw/zinc/23/33/56/503233356.db2.gz BKDPZWGWRYZMPN-RCZSKKKRSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000514948888 503233374 /nfs/dbraw/zinc/23/33/74/503233374.db2.gz BSGWOHWRPBKLJS-SESVDKBCSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514948888 503233376 /nfs/dbraw/zinc/23/33/76/503233376.db2.gz BSGWOHWRPBKLJS-SESVDKBCSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000514948888 503233378 /nfs/dbraw/zinc/23/33/78/503233378.db2.gz BSGWOHWRPBKLJS-SESVDKBCSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000511095581 503253191 /nfs/dbraw/zinc/25/31/91/503253191.db2.gz WUMFUFSOBRBTLY-MRXNPFEDSA-N 2 1 365.477 3.333 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000507361453 503285184 /nfs/dbraw/zinc/28/51/84/503285184.db2.gz OVBRHGKDUYKBRH-UHFFFAOYSA-N 2 1 369.303 3.482 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000507361453 503285187 /nfs/dbraw/zinc/28/51/87/503285187.db2.gz OVBRHGKDUYKBRH-UHFFFAOYSA-N 2 1 369.303 3.482 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000502874155 503295151 /nfs/dbraw/zinc/29/51/51/503295151.db2.gz DTXXMXPMKNRBKM-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000502874155 503295155 /nfs/dbraw/zinc/29/51/55/503295155.db2.gz DTXXMXPMKNRBKM-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000502874155 503295161 /nfs/dbraw/zinc/29/51/61/503295161.db2.gz DTXXMXPMKNRBKM-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000502874918 503295627 /nfs/dbraw/zinc/29/56/27/503295627.db2.gz BGZIRKZGESIJBI-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCOC[C@@H]3CCCO3)CC23CC3)cc1 ZINC000515300567 503309888 /nfs/dbraw/zinc/30/98/88/503309888.db2.gz JFXHYWSEIKIIGE-RTWAWAEBSA-N 2 1 358.526 3.359 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCOC[C@@H]3CCCO3)CC23CC3)cc1 ZINC000515300567 503309890 /nfs/dbraw/zinc/30/98/90/503309890.db2.gz JFXHYWSEIKIIGE-RTWAWAEBSA-N 2 1 358.526 3.359 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499156385 503345485 /nfs/dbraw/zinc/34/54/85/503345485.db2.gz LFMUPMUGBYFKFV-MZADTFQBSA-N 2 1 355.526 3.174 20 0 FGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623100 503375860 /nfs/dbraw/zinc/37/58/60/503375860.db2.gz WRPDZOVSCUCPPS-WBVHZDCISA-N 2 1 358.461 3.445 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441084 503409931 /nfs/dbraw/zinc/40/99/31/503409931.db2.gz GNKADKCINNDFBH-WOJBJXKFSA-N 2 1 364.578 3.016 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccc1Cl ZINC000499496985 503418807 /nfs/dbraw/zinc/41/88/07/503418807.db2.gz GTKBKGQLLKLNJO-SFHVURJKSA-N 2 1 365.949 3.147 20 0 FGADMP CC[NH+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000503485128 503418993 /nfs/dbraw/zinc/41/89/93/503418993.db2.gz GCMMYFFZEIIIKJ-NSHGMRRFSA-N 2 1 373.541 3.078 20 0 FGADMP CC[NH+]1CCC[C@H]1CN(Cc1ccc(O)cc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000503485128 503418998 /nfs/dbraw/zinc/41/89/98/503418998.db2.gz GCMMYFFZEIIIKJ-NSHGMRRFSA-N 2 1 373.541 3.078 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505128 503420220 /nfs/dbraw/zinc/42/02/20/503420220.db2.gz BOKPZXCGGCVBKF-HXUWFJFHSA-N 2 1 359.558 3.472 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000499510601 503422145 /nfs/dbraw/zinc/42/21/45/503422145.db2.gz WXIMCVCZFYXRBJ-HNNXBMFYSA-N 2 1 372.340 3.482 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511984 503422153 /nfs/dbraw/zinc/42/21/53/503422153.db2.gz CUJWOMNDISUPIC-JOCHJYFZSA-N 2 1 367.537 3.257 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000499523105 503425033 /nfs/dbraw/zinc/42/50/33/503425033.db2.gz YVUFMWYHEVRALK-QGZVFWFLSA-N 2 1 371.447 3.194 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NCc1ncc(C[NH+](C)C)s1 ZINC000512030051 503438758 /nfs/dbraw/zinc/43/87/58/503438758.db2.gz GSUHPTFFLBNHOI-IAGOWNOFSA-N 2 1 372.582 3.451 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493894286 503454370 /nfs/dbraw/zinc/45/43/70/503454370.db2.gz MWEBVUWEWNJKIH-KRWDZBQOSA-N 2 1 367.331 3.445 20 0 FGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917843 503457622 /nfs/dbraw/zinc/45/76/22/503457622.db2.gz VHWITVMWAJJHDD-MXEMCNAFSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917843 503457626 /nfs/dbraw/zinc/45/76/26/503457626.db2.gz VHWITVMWAJJHDD-MXEMCNAFSA-N 2 1 358.526 3.243 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165053 503460057 /nfs/dbraw/zinc/46/00/57/503460057.db2.gz SZFWDQPLZDDHOY-NQIIRXRSSA-N 2 1 372.557 3.434 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000493951944 503465144 /nfs/dbraw/zinc/46/51/44/503465144.db2.gz FYTPDYFYPDVXSH-AVRDEDQJSA-N 2 1 354.494 3.385 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000516241257 503479320 /nfs/dbraw/zinc/47/93/20/503479320.db2.gz IDRVWHOXQKMODR-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000516241257 503479326 /nfs/dbraw/zinc/47/93/26/503479326.db2.gz IDRVWHOXQKMODR-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000516241257 503479330 /nfs/dbraw/zinc/47/93/30/503479330.db2.gz IDRVWHOXQKMODR-MOPGFXCFSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000494052917 503479924 /nfs/dbraw/zinc/47/99/24/503479924.db2.gz ZCPVVHUAGLKYDP-IEBWSBKVSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494052917 503479926 /nfs/dbraw/zinc/47/99/26/503479926.db2.gz ZCPVVHUAGLKYDP-IEBWSBKVSA-N 2 1 354.498 3.176 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494058826 503480371 /nfs/dbraw/zinc/48/03/71/503480371.db2.gz GXZQMJMZHUROCF-JRGCBEDISA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058826 503480376 /nfs/dbraw/zinc/48/03/76/503480376.db2.gz GXZQMJMZHUROCF-JRGCBEDISA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058826 503480379 /nfs/dbraw/zinc/48/03/79/503480379.db2.gz GXZQMJMZHUROCF-JRGCBEDISA-N 2 1 355.526 3.173 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC000508374080 503484457 /nfs/dbraw/zinc/48/44/57/503484457.db2.gz BVWHFHVPPVXYSZ-ZIAGYGMSSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC000508374080 503484459 /nfs/dbraw/zinc/48/44/59/503484459.db2.gz BVWHFHVPPVXYSZ-ZIAGYGMSSA-N 2 1 373.570 3.433 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000494458446 503544946 /nfs/dbraw/zinc/54/49/46/503544946.db2.gz SASKSWXRAFIHSN-HMFYCAOWSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000500113461 503557163 /nfs/dbraw/zinc/55/71/63/503557163.db2.gz VCFVUVWWBDYDBC-WYNBGMTASA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516682418 503568012 /nfs/dbraw/zinc/56/80/12/503568012.db2.gz KJNRIUQTFBNPTB-OTWHNJEPSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494654364 503584309 /nfs/dbraw/zinc/58/43/09/503584309.db2.gz NLDXEWQHELDGDP-VQTJNVASSA-N 2 1 357.542 3.108 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000508875630 503585142 /nfs/dbraw/zinc/58/51/42/503585142.db2.gz BMJVTKWLJNSNJO-DHHGSCCYSA-N 2 1 371.569 3.194 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512578289 503589096 /nfs/dbraw/zinc/58/90/96/503589096.db2.gz POJKTSWPOBQMFQ-HUUJSLGLSA-N 2 1 357.542 3.276 20 0 FGADMP CC[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000504805869 503618029 /nfs/dbraw/zinc/61/80/29/503618029.db2.gz WYTILIKLSLACBI-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517064004 503652442 /nfs/dbraw/zinc/65/24/42/503652442.db2.gz RZGLYEMDWXSXGM-GGPKGHCWSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517064004 503652448 /nfs/dbraw/zinc/65/24/48/503652448.db2.gz RZGLYEMDWXSXGM-GGPKGHCWSA-N 2 1 360.546 3.242 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cccc(C)c3C)CC2)CC1 ZINC000517173553 503662989 /nfs/dbraw/zinc/66/29/89/503662989.db2.gz XHPKXCJBHIWLMS-UHFFFAOYSA-N 2 1 371.569 3.458 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118868 503673977 /nfs/dbraw/zinc/67/39/77/503673977.db2.gz JCBBIVCBZMNFFM-CABCVRRESA-N 2 1 371.978 3.380 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000536696944 503685064 /nfs/dbraw/zinc/68/50/64/503685064.db2.gz RHQKQPRZGOTUDC-INIZCTEOSA-N 2 1 360.527 3.138 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255811 503694478 /nfs/dbraw/zinc/69/44/78/503694478.db2.gz XQRITVHZCBNRHW-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000540167747 503695791 /nfs/dbraw/zinc/69/57/91/503695791.db2.gz SHAUGUWETIXABW-DNVCBOLYSA-N 2 1 356.457 3.070 20 0 FGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245591 503722787 /nfs/dbraw/zinc/72/27/87/503722787.db2.gz YMUIHXZOHGEADV-KZNAEPCWSA-N 2 1 364.505 3.477 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000533099044 503730657 /nfs/dbraw/zinc/73/06/57/503730657.db2.gz RCTKRLXNRNEWCB-UHFFFAOYSA-N 2 1 355.910 3.066 20 0 FGADMP O[C@]1(CNCc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000533187826 503754353 /nfs/dbraw/zinc/75/43/53/503754353.db2.gz SSPUCRZQYQGJNI-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP O[C@]1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000533187826 503754365 /nfs/dbraw/zinc/75/43/65/503754365.db2.gz SSPUCRZQYQGJNI-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP O[C@]1(C[NH2+]Cc2cccc(-c3cccnc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000533187826 503754371 /nfs/dbraw/zinc/75/43/71/503754371.db2.gz SSPUCRZQYQGJNI-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP CC(C)CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000533244019 503774663 /nfs/dbraw/zinc/77/46/63/503774663.db2.gz YUZSXDLIXNJQQK-UHFFFAOYSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000517576316 503776133 /nfs/dbraw/zinc/77/61/33/503776133.db2.gz KEMUOGYGVJGOGV-HKUYNNGSSA-N 2 1 352.567 3.061 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530025170 503798940 /nfs/dbraw/zinc/79/89/40/503798940.db2.gz PFGGYTKEBOIKGP-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C12CCCC2 ZINC000540595331 503827489 /nfs/dbraw/zinc/82/74/89/503827489.db2.gz YXPRJVFDWQHWCQ-MYGLTJDJSA-N 2 1 372.553 3.197 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C12CCCC2 ZINC000540595331 503827494 /nfs/dbraw/zinc/82/74/94/503827494.db2.gz YXPRJVFDWQHWCQ-MYGLTJDJSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000543674757 503848586 /nfs/dbraw/zinc/84/85/86/503848586.db2.gz KUJWKCBKWUXSLG-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)CC(C)C ZINC000517913530 503865759 /nfs/dbraw/zinc/86/57/59/503865759.db2.gz KMRUTNPTJUXPNP-RTBURBONSA-N 2 1 354.583 3.163 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517917244 503867530 /nfs/dbraw/zinc/86/75/30/503867530.db2.gz BHJKTGZQAQANMM-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)Oc1cccc(Br)c1 ZINC000546760876 503867931 /nfs/dbraw/zinc/86/79/31/503867931.db2.gz HIUUKEWNHJIUBK-ZDUSSCGKSA-N 2 1 364.287 3.467 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000527648051 503875118 /nfs/dbraw/zinc/87/51/18/503875118.db2.gz DDMPZBGNCHVMNR-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000517962119 503877333 /nfs/dbraw/zinc/87/73/33/503877333.db2.gz ZFZHXWGOBDFTPS-VQIMIIECSA-N 2 1 363.933 3.277 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532611 503879364 /nfs/dbraw/zinc/87/93/64/503879364.db2.gz OLOLUMAXBQMGBN-XJKSGUPXSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532611 503879371 /nfs/dbraw/zinc/87/93/71/503879371.db2.gz OLOLUMAXBQMGBN-XJKSGUPXSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532611 503879378 /nfs/dbraw/zinc/87/93/78/503879378.db2.gz OLOLUMAXBQMGBN-XJKSGUPXSA-N 2 1 372.294 3.453 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530239702 503889632 /nfs/dbraw/zinc/88/96/32/503889632.db2.gz HCLYUMCLRALSKT-ZDUSSCGKSA-N 2 1 363.449 3.061 20 0 FGADMP FC(F)n1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000530241806 503890486 /nfs/dbraw/zinc/89/04/86/503890486.db2.gz RPFDLXKCMIAZEB-OAHLLOKOSA-N 2 1 364.440 3.022 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccsc2Br)ccn1 ZINC000527689024 503896605 /nfs/dbraw/zinc/89/66/05/503896605.db2.gz UIEAUMBJXOYTSX-UHFFFAOYSA-N 2 1 370.316 3.136 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518167935 503919362 /nfs/dbraw/zinc/91/93/62/503919362.db2.gz RIFWSSNVPVVFJH-RHSMWYFYSA-N 2 1 367.896 3.107 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864544 503921262 /nfs/dbraw/zinc/92/12/62/503921262.db2.gz HWFOREUMGMKYIV-IEBWSBKVSA-N 2 1 367.896 3.213 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527810699 503956216 /nfs/dbraw/zinc/95/62/16/503956216.db2.gz HLSKWDCUBNICTJ-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810699 503956218 /nfs/dbraw/zinc/95/62/18/503956218.db2.gz HLSKWDCUBNICTJ-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1CCCC1 ZINC000527814962 503957324 /nfs/dbraw/zinc/95/73/24/503957324.db2.gz AMUNWKZSXOOUCW-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1CCCC1 ZINC000527814962 503957327 /nfs/dbraw/zinc/95/73/27/503957327.db2.gz AMUNWKZSXOOUCW-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP COC(=O)c1ccccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000544144318 504026931 /nfs/dbraw/zinc/02/69/31/504026931.db2.gz RJEPWTLQBVPOIM-HDICACEKSA-N 2 1 374.525 3.185 20 0 FGADMP NC(=O)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626523 504031026 /nfs/dbraw/zinc/03/10/26/504031026.db2.gz ZYAGDNYUUKVUBU-QHCPKHFHSA-N 2 1 363.505 3.274 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cc1 ZINC000530626523 504031030 /nfs/dbraw/zinc/03/10/30/504031030.db2.gz ZYAGDNYUUKVUBU-QHCPKHFHSA-N 2 1 363.505 3.274 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc1 ZINC000530626523 504031034 /nfs/dbraw/zinc/03/10/34/504031034.db2.gz ZYAGDNYUUKVUBU-QHCPKHFHSA-N 2 1 363.505 3.274 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000530626523 504031041 /nfs/dbraw/zinc/03/10/41/504031041.db2.gz ZYAGDNYUUKVUBU-QHCPKHFHSA-N 2 1 363.505 3.274 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000534129140 504049283 /nfs/dbraw/zinc/04/92/83/504049283.db2.gz QFNIIMHCXLLNTF-KDQHYCTGSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000534129140 504049285 /nfs/dbraw/zinc/04/92/85/504049285.db2.gz QFNIIMHCXLLNTF-KDQHYCTGSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129140 504049288 /nfs/dbraw/zinc/04/92/88/504049288.db2.gz QFNIIMHCXLLNTF-KDQHYCTGSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129140 504049291 /nfs/dbraw/zinc/04/92/91/504049291.db2.gz QFNIIMHCXLLNTF-KDQHYCTGSA-N 2 1 363.933 3.463 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2ccsc21 ZINC000530712583 504061739 /nfs/dbraw/zinc/06/17/39/504061739.db2.gz LQFOVXNNOXXCEL-UHFFFAOYSA-N 2 1 373.570 3.324 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286225 504073494 /nfs/dbraw/zinc/07/34/94/504073494.db2.gz IPJIXKLKHJSABN-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC000544303736 504079842 /nfs/dbraw/zinc/07/98/42/504079842.db2.gz SCKOXEDPRNAKGZ-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000530783529 504085775 /nfs/dbraw/zinc/08/57/75/504085775.db2.gz WDXIWBCITOWDQE-MGPUTAFESA-N 2 1 367.497 3.120 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000530783529 504085783 /nfs/dbraw/zinc/08/57/83/504085783.db2.gz WDXIWBCITOWDQE-MGPUTAFESA-N 2 1 367.497 3.120 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1)CC(C)C ZINC000537995582 504106265 /nfs/dbraw/zinc/10/62/65/504106265.db2.gz LSBQQNLKNQUVPV-UHFFFAOYSA-N 2 1 351.579 3.325 20 0 FGADMP Cc1ccc(CC[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000538046540 504123440 /nfs/dbraw/zinc/12/34/40/504123440.db2.gz XPUNSIJDYGZVSV-WOJBJXKFSA-N 2 1 360.542 3.128 20 0 FGADMP CC[NH+](CC)CCOC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000547502787 504128293 /nfs/dbraw/zinc/12/82/93/504128293.db2.gz HLRZQTBATHFJBI-UHFFFAOYSA-N 2 1 356.308 3.171 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098191 504133260 /nfs/dbraw/zinc/13/32/60/504133260.db2.gz CODQWDGUCRWJJF-FUHWJXTLSA-N 2 1 351.922 3.214 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000519176476 504157259 /nfs/dbraw/zinc/15/72/59/504157259.db2.gz ZCWDGEZVJKTQIR-OTWHNJEPSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633602 504162769 /nfs/dbraw/zinc/16/27/69/504162769.db2.gz RWCNBDJVZJKSBW-IFMALSPDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000547633602 504162773 /nfs/dbraw/zinc/16/27/73/504162773.db2.gz RWCNBDJVZJKSBW-IFMALSPDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000547633602 504162778 /nfs/dbraw/zinc/16/27/78/504162778.db2.gz RWCNBDJVZJKSBW-IFMALSPDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CC1CCCCC1)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000544612050 504191368 /nfs/dbraw/zinc/19/13/68/504191368.db2.gz WLWLICBPJQSEBF-LJQANCHMSA-N 2 1 363.590 3.469 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640876 504202063 /nfs/dbraw/zinc/20/20/63/504202063.db2.gz LYFSGLWLHRVOEW-AVRDEDQJSA-N 2 1 365.521 3.247 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000531138897 504202597 /nfs/dbraw/zinc/20/25/97/504202597.db2.gz CVKZAUPNIJMFIP-UHFFFAOYSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000519388433 504209007 /nfs/dbraw/zinc/20/90/07/504209007.db2.gz MWJTUCONKBNLMC-HDICACEKSA-N 2 1 352.567 3.013 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707402 504228021 /nfs/dbraw/zinc/22/80/21/504228021.db2.gz PLOAXYXUAWKZSG-SJBKTWHCSA-N 2 1 360.542 3.461 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707402 504228023 /nfs/dbraw/zinc/22/80/23/504228023.db2.gz PLOAXYXUAWKZSG-SJBKTWHCSA-N 2 1 360.542 3.461 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000519476494 504229212 /nfs/dbraw/zinc/22/92/12/504229212.db2.gz ZKEQPQHFAKINIL-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000519476494 504229214 /nfs/dbraw/zinc/22/92/14/504229214.db2.gz ZKEQPQHFAKINIL-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000519476492 504229720 /nfs/dbraw/zinc/22/97/20/504229720.db2.gz ZKEQPQHFAKINIL-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000519476492 504229727 /nfs/dbraw/zinc/22/97/27/504229727.db2.gz ZKEQPQHFAKINIL-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000541816483 504263293 /nfs/dbraw/zinc/26/32/93/504263293.db2.gz FQBVIOZYGHDKEZ-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000531333290 504270346 /nfs/dbraw/zinc/27/03/46/504270346.db2.gz WERRZFRFNXDCNO-HXUWFJFHSA-N 2 1 352.526 3.390 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000528570860 504276157 /nfs/dbraw/zinc/27/61/57/504276157.db2.gz QZDROTKLEODILE-BHDDXSALSA-N 2 1 371.569 3.191 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000541855852 504277862 /nfs/dbraw/zinc/27/78/62/504277862.db2.gz LOIMPMPQLPFYQN-INIZCTEOSA-N 2 1 363.465 3.279 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc(-c4cccnc4)n[nH]3)C1)CCCC2 ZINC000548018295 504299111 /nfs/dbraw/zinc/29/91/11/504299111.db2.gz FYLIZJZBWLSADN-GOSISDBHSA-N 2 1 362.481 3.302 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc(-c4cccnc4)n[nH]3)C1)CCCC2 ZINC000548018295 504299118 /nfs/dbraw/zinc/29/91/18/504299118.db2.gz FYLIZJZBWLSADN-GOSISDBHSA-N 2 1 362.481 3.302 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922995 504303699 /nfs/dbraw/zinc/30/36/99/504303699.db2.gz WOPMHLSBLXGFPR-AEFFLSMTSA-N 2 1 355.482 3.192 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528652068 504314216 /nfs/dbraw/zinc/31/42/16/504314216.db2.gz RYZFEAMOIKQBSE-WSWWRLHASA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528652068 504314221 /nfs/dbraw/zinc/31/42/21/504314221.db2.gz RYZFEAMOIKQBSE-WSWWRLHASA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528652068 504314224 /nfs/dbraw/zinc/31/42/24/504314224.db2.gz RYZFEAMOIKQBSE-WSWWRLHASA-N 2 1 371.569 3.476 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984926 504323511 /nfs/dbraw/zinc/32/35/11/504323511.db2.gz SMUJPMWIKQEZTJ-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984926 504323517 /nfs/dbraw/zinc/32/35/17/504323517.db2.gz SMUJPMWIKQEZTJ-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984926 504323523 /nfs/dbraw/zinc/32/35/23/504323523.db2.gz SMUJPMWIKQEZTJ-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984926 504323526 /nfs/dbraw/zinc/32/35/26/504323526.db2.gz SMUJPMWIKQEZTJ-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000535047454 504327413 /nfs/dbraw/zinc/32/74/13/504327413.db2.gz HFYWXSPTDDJUOT-UHFFFAOYSA-N 2 1 357.292 3.042 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000535085966 504339326 /nfs/dbraw/zinc/33/93/26/504339326.db2.gz NKYISMSNNLVTLQ-HXUWFJFHSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528712049 504343654 /nfs/dbraw/zinc/34/36/54/504343654.db2.gz BGFAAWONTSRNNF-MRXNPFEDSA-N 2 1 374.529 3.191 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000538792582 504372951 /nfs/dbraw/zinc/37/29/51/504372951.db2.gz ZPKOXRAMXWCHNQ-KNQAVFIVSA-N 2 1 357.542 3.218 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CC2 ZINC000531677273 504389472 /nfs/dbraw/zinc/38/94/72/504389472.db2.gz DJBDWKHXOHJVLO-VQTJNVASSA-N 2 1 371.550 3.322 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000531683357 504392037 /nfs/dbraw/zinc/39/20/37/504392037.db2.gz IEXJHPZHVHBVPH-ZIAGYGMSSA-N 2 1 369.431 3.496 20 0 FGADMP CN(C(=O)[C@@H]1CCCC12CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528892684 504437212 /nfs/dbraw/zinc/43/72/12/504437212.db2.gz IDJSKCNZIBWEFO-ZCNNSNEGSA-N 2 1 361.574 3.362 20 0 FGADMP Cc1ccncc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000538985334 504439937 /nfs/dbraw/zinc/43/99/37/504439937.db2.gz GQEUCKGRGZRWCE-SIKLNZKXSA-N 2 1 352.526 3.419 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483524 504460955 /nfs/dbraw/zinc/46/09/55/504460955.db2.gz CDDVQYRHYLNWGH-PZJWPPBQSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483524 504460960 /nfs/dbraw/zinc/46/09/60/504460960.db2.gz CDDVQYRHYLNWGH-PZJWPPBQSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483524 504460962 /nfs/dbraw/zinc/46/09/62/504460962.db2.gz CDDVQYRHYLNWGH-PZJWPPBQSA-N 2 1 373.585 3.376 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000542359860 504461271 /nfs/dbraw/zinc/46/12/71/504461271.db2.gz NSSZKTASAXJZOX-LJQANCHMSA-N 2 1 372.557 3.293 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000531937453 504480846 /nfs/dbraw/zinc/48/08/46/504480846.db2.gz ASLGLAXJORVKID-KNQAVFIVSA-N 3 1 370.541 3.158 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000539148217 504487474 /nfs/dbraw/zinc/48/74/74/504487474.db2.gz VTOIGCLWRNRRQO-FMNOIEFDSA-N 2 1 358.526 3.290 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@H](C)O1 ZINC000539148217 504487481 /nfs/dbraw/zinc/48/74/81/504487481.db2.gz VTOIGCLWRNRRQO-FMNOIEFDSA-N 2 1 358.526 3.290 20 0 FGADMP CC(C)[NH+]1CCC(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000531971590 504490869 /nfs/dbraw/zinc/49/08/69/504490869.db2.gz FVUPYLIQCRZNRU-UHFFFAOYSA-N 2 1 351.579 3.263 20 0 FGADMP CC(C)[NH+]1CCC(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000531971590 504490874 /nfs/dbraw/zinc/49/08/74/504490874.db2.gz FVUPYLIQCRZNRU-UHFFFAOYSA-N 2 1 351.579 3.263 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000542465839 504500179 /nfs/dbraw/zinc/50/01/79/504500179.db2.gz MKXLZFZBSWSMPS-DYESRHJHSA-N 2 1 351.498 3.024 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000542495352 504513791 /nfs/dbraw/zinc/51/37/91/504513791.db2.gz VJVRPUHRVPFFLH-GMAHTHKFSA-N 2 1 373.585 3.326 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000542495352 504513798 /nfs/dbraw/zinc/51/37/98/504513798.db2.gz VJVRPUHRVPFFLH-GMAHTHKFSA-N 2 1 373.585 3.326 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506815 504517958 /nfs/dbraw/zinc/51/79/58/504517958.db2.gz RMUPPRIVHYVSBX-IKGGRYGDSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506815 504517967 /nfs/dbraw/zinc/51/79/67/504517967.db2.gz RMUPPRIVHYVSBX-IKGGRYGDSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@H]1C ZINC000542506815 504517973 /nfs/dbraw/zinc/51/79/73/504517973.db2.gz RMUPPRIVHYVSBX-IKGGRYGDSA-N 2 1 354.922 3.193 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539294831 504521970 /nfs/dbraw/zinc/52/19/70/504521970.db2.gz JENRHOVGSVOZDK-HTAPYJJXSA-N 2 1 354.542 3.470 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539294831 504521977 /nfs/dbraw/zinc/52/19/77/504521977.db2.gz JENRHOVGSVOZDK-HTAPYJJXSA-N 2 1 354.542 3.470 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000520619813 504542944 /nfs/dbraw/zinc/54/29/44/504542944.db2.gz AAMSERGORDPHSX-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710979 504583931 /nfs/dbraw/zinc/58/39/31/504583931.db2.gz RUQGHUHNWAAKJY-UEXGIBASSA-N 2 1 372.557 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000520797692 504584473 /nfs/dbraw/zinc/58/44/73/504584473.db2.gz IXAGRNYDHYXIPW-ROUUACIJSA-N 2 1 368.949 3.490 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000532292017 504600927 /nfs/dbraw/zinc/60/09/27/504600927.db2.gz ORZJGUABAMSZJN-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000520908840 504608104 /nfs/dbraw/zinc/60/81/04/504608104.db2.gz FAXNRZKVBRBGTH-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000520908840 504608110 /nfs/dbraw/zinc/60/81/10/504608110.db2.gz FAXNRZKVBRBGTH-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000520908840 504608118 /nfs/dbraw/zinc/60/81/18/504608118.db2.gz FAXNRZKVBRBGTH-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000520987082 504623760 /nfs/dbraw/zinc/62/37/60/504623760.db2.gz UZMCAJPWTIVPKM-HXUWFJFHSA-N 2 1 364.578 3.062 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000529360030 504645405 /nfs/dbraw/zinc/64/54/05/504645405.db2.gz SCERPFHBTPVLMJ-DFQSSKMNSA-N 2 1 370.541 3.138 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC(CC)(CC)CC)CC2)CC1 ZINC000542949759 504669465 /nfs/dbraw/zinc/66/94/65/504669465.db2.gz VFMBVCRZZVVZCZ-UHFFFAOYSA-N 2 1 351.579 3.469 20 0 FGADMP CC(C)COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539824821 504705075 /nfs/dbraw/zinc/70/50/75/504705075.db2.gz LAFVNNYHENKOPS-NRFANRHFSA-N 2 1 359.558 3.322 20 0 FGADMP CCOc1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1OC(F)F ZINC000539832540 504709153 /nfs/dbraw/zinc/70/91/53/504709153.db2.gz RYADFNYPJAVLBG-UHFFFAOYSA-N 2 1 372.456 3.229 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000539852508 504717961 /nfs/dbraw/zinc/71/79/61/504717961.db2.gz TVPVKAYHTHSVPZ-CTNGQTDRSA-N 2 1 357.542 3.077 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC(F)(F)C1 ZINC000529534755 504718255 /nfs/dbraw/zinc/71/82/55/504718255.db2.gz OYLFYKUKCQELDL-LPHOPBHVSA-N 2 1 351.485 3.389 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C/c2ccc(F)cc2)c2cccs2)CC1 ZINC000532671658 504731559 /nfs/dbraw/zinc/73/15/59/504731559.db2.gz VQEUHVJKIHOMOJ-NLJSWGTCSA-N 2 1 359.514 3.479 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000521427225 504734877 /nfs/dbraw/zinc/73/48/77/504734877.db2.gz HWFOFGDFQSBWKK-ROUUACIJSA-N 2 1 355.526 3.155 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000521427225 504734880 /nfs/dbraw/zinc/73/48/80/504734880.db2.gz HWFOFGDFQSBWKK-ROUUACIJSA-N 2 1 355.526 3.155 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050344 504786903 /nfs/dbraw/zinc/78/69/03/504786903.db2.gz CHYSSPXBEWYEBI-BHDDXSALSA-N 2 1 359.558 3.158 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050344 504786905 /nfs/dbraw/zinc/78/69/05/504786905.db2.gz CHYSSPXBEWYEBI-BHDDXSALSA-N 2 1 359.558 3.158 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000556053785 504787130 /nfs/dbraw/zinc/78/71/30/504787130.db2.gz XTZTURCEXPBQLX-FCHUYYIVSA-N 2 1 371.569 3.447 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000556053785 504787135 /nfs/dbraw/zinc/78/71/35/504787135.db2.gz XTZTURCEXPBQLX-FCHUYYIVSA-N 2 1 371.569 3.447 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000559151794 504792270 /nfs/dbraw/zinc/79/22/70/504792270.db2.gz QIDRLXAEJSXGDC-OVNVTHAWSA-N 2 1 370.512 3.475 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000556099297 504796056 /nfs/dbraw/zinc/79/60/56/504796056.db2.gz DLSMPGWMUXHTIL-IBGZPJMESA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000556099297 504796061 /nfs/dbraw/zinc/79/60/61/504796061.db2.gz DLSMPGWMUXHTIL-IBGZPJMESA-N 2 1 374.529 3.063 20 0 FGADMP CCn1nccc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348762 504797520 /nfs/dbraw/zinc/79/75/20/504797520.db2.gz NHBYSFMUYAVYSC-IFMALSPDSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348762 504797526 /nfs/dbraw/zinc/79/75/26/504797526.db2.gz NHBYSFMUYAVYSC-IFMALSPDSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549348762 504797530 /nfs/dbraw/zinc/79/75/30/504797530.db2.gz NHBYSFMUYAVYSC-IFMALSPDSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549348762 504797534 /nfs/dbraw/zinc/79/75/34/504797534.db2.gz NHBYSFMUYAVYSC-IFMALSPDSA-N 2 1 352.526 3.432 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000565154559 504809385 /nfs/dbraw/zinc/80/93/85/504809385.db2.gz BHTMIKMSRQLCAQ-MJGOQNOKSA-N 2 1 354.498 3.035 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000556202820 504819697 /nfs/dbraw/zinc/81/96/97/504819697.db2.gz DAHPAWSHHLOINU-OYNPSCLESA-N 2 1 357.542 3.039 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231934 504824202 /nfs/dbraw/zinc/82/42/02/504824202.db2.gz GLDZMFIMNWSBRJ-QUCCMNQESA-N 2 1 366.509 3.056 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231934 504824206 /nfs/dbraw/zinc/82/42/06/504824206.db2.gz GLDZMFIMNWSBRJ-QUCCMNQESA-N 2 1 366.509 3.056 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472594 504831805 /nfs/dbraw/zinc/83/18/05/504831805.db2.gz SRALUNYUWBLFHD-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331306 504855597 /nfs/dbraw/zinc/85/55/97/504855597.db2.gz GOGGNUZMJZENOC-NRFANRHFSA-N 2 1 369.557 3.029 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000553368385 504896202 /nfs/dbraw/zinc/89/62/02/504896202.db2.gz FIIOFQAWRVSCKR-GOSISDBHSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000553368385 504896204 /nfs/dbraw/zinc/89/62/04/504896204.db2.gz FIIOFQAWRVSCKR-GOSISDBHSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1noc(Cc2ccccc2)n1 ZINC000559628949 504900073 /nfs/dbraw/zinc/90/00/73/504900073.db2.gz OKVPSSWFOXLSHY-INIZCTEOSA-N 2 1 363.465 3.375 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391828 504901894 /nfs/dbraw/zinc/90/18/94/504901894.db2.gz JQFDODVUKMNDCA-VXKWHMMOSA-N 2 1 365.521 3.236 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559743766 504921388 /nfs/dbraw/zinc/92/13/88/504921388.db2.gz UTVDMPDNXGCALB-NHCUHLMSSA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559743766 504921389 /nfs/dbraw/zinc/92/13/89/504921389.db2.gz UTVDMPDNXGCALB-NHCUHLMSSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553525480 504940471 /nfs/dbraw/zinc/94/04/71/504940471.db2.gz BGTOQGNRGHJXFN-PZJWPPBQSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525480 504940475 /nfs/dbraw/zinc/94/04/75/504940475.db2.gz BGTOQGNRGHJXFN-PZJWPPBQSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525480 504940480 /nfs/dbraw/zinc/94/04/80/504940480.db2.gz BGTOQGNRGHJXFN-PZJWPPBQSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000549938689 504940607 /nfs/dbraw/zinc/94/06/07/504940607.db2.gz FCBXQWINIHGROX-WTNAPCKOSA-N 2 1 356.485 3.229 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654875 504950146 /nfs/dbraw/zinc/95/01/46/504950146.db2.gz NRAQBNHLTVMXGZ-NWSQWKLXSA-N 2 1 374.569 3.399 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000550128114 504972478 /nfs/dbraw/zinc/97/24/78/504972478.db2.gz YJWSTJTYIUAJGZ-FGZHOGPDSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128114 504972482 /nfs/dbraw/zinc/97/24/82/504972482.db2.gz YJWSTJTYIUAJGZ-FGZHOGPDSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128114 504972487 /nfs/dbraw/zinc/97/24/87/504972487.db2.gz YJWSTJTYIUAJGZ-FGZHOGPDSA-N 2 1 365.521 3.288 20 0 FGADMP CC(CC[NH+]1CC[C@H](OC(F)F)C1)CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000556819920 504984388 /nfs/dbraw/zinc/98/43/88/504984388.db2.gz GHZXNDHUNQKJDR-KBPBESRZSA-N 2 1 356.404 3.030 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000565865607 505009698 /nfs/dbraw/zinc/00/96/98/505009698.db2.gz CVSHWSLNFHKOQR-SJORKVTESA-N 2 1 366.575 3.305 20 0 FGADMP COc1c(Br)cc(C[N@H+](C)CCC[NH3+])cc1Br ZINC000565891970 505019075 /nfs/dbraw/zinc/01/90/75/505019075.db2.gz FBIMCBJNVVGJHY-UHFFFAOYSA-N 2 1 366.097 3.001 20 0 FGADMP COc1c(Br)cc(C[N@@H+](C)CCC[NH3+])cc1Br ZINC000565891970 505019081 /nfs/dbraw/zinc/01/90/81/505019081.db2.gz FBIMCBJNVVGJHY-UHFFFAOYSA-N 2 1 366.097 3.001 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000565954022 505037007 /nfs/dbraw/zinc/03/70/07/505037007.db2.gz LIPODVXIMLCOGK-FQEVSTJZSA-N 2 1 369.553 3.033 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550623734 505075477 /nfs/dbraw/zinc/07/54/77/505075477.db2.gz ZHJRWPOMMHICIS-RTWAWAEBSA-N 2 1 351.494 3.150 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550623734 505075483 /nfs/dbraw/zinc/07/54/83/505075483.db2.gz ZHJRWPOMMHICIS-RTWAWAEBSA-N 2 1 351.494 3.150 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)c2)C[C@@H](C)O1 ZINC000566184540 505107091 /nfs/dbraw/zinc/10/70/91/505107091.db2.gz KSVZWKMUACHYRX-KZFRKFNSSA-N 2 1 371.525 3.014 20 0 FGADMP C[NH+](C)C[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506144 505107295 /nfs/dbraw/zinc/10/72/95/505107295.db2.gz IZDGMQZENDXBTM-PKOBYXMFSA-N 2 1 365.949 3.366 20 0 FGADMP C[N@H+]1CC[C@H](N[C@@H]2CC(=O)N(c3ccccc3F)C2)C[C@@H]1c1ccccc1 ZINC000550823219 505109283 /nfs/dbraw/zinc/10/92/83/505109283.db2.gz JYCYAPXQJGRNON-WAOWUJCRSA-N 2 1 367.468 3.356 20 0 FGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000560520269 505112454 /nfs/dbraw/zinc/11/24/54/505112454.db2.gz DONKDFVATSUDSH-HNAYVOBHSA-N 2 1 359.514 3.017 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886558 505120438 /nfs/dbraw/zinc/12/04/38/505120438.db2.gz HMCFIZLOOWAUDF-ROUUACIJSA-N 2 1 355.530 3.423 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245233 505121310 /nfs/dbraw/zinc/12/13/10/505121310.db2.gz MUKZUZBULPJOEF-JTDSTZFVSA-N 2 1 363.571 3.273 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000563387073 505129336 /nfs/dbraw/zinc/12/93/36/505129336.db2.gz XHUXVYKDWZANTF-UHFFFAOYSA-N 2 1 369.431 3.239 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000560619472 505146218 /nfs/dbraw/zinc/14/62/18/505146218.db2.gz VGBFEEZYCFZPGN-QHCPKHFHSA-N 2 1 373.585 3.449 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417674 505169851 /nfs/dbraw/zinc/16/98/51/505169851.db2.gz SSBQMBWARHZOEM-JTHBVZDNSA-N 2 1 371.569 3.336 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417674 505169855 /nfs/dbraw/zinc/16/98/55/505169855.db2.gz SSBQMBWARHZOEM-JTHBVZDNSA-N 2 1 371.569 3.336 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000563804458 505243764 /nfs/dbraw/zinc/24/37/64/505243764.db2.gz MVUPRYVXXQKFQY-IGEOTXOUSA-N 2 1 370.463 3.305 20 0 FGADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686355 505244100 /nfs/dbraw/zinc/24/41/00/505244100.db2.gz KVTATZHHAITGEJ-FHLIZLRMSA-N 2 1 374.447 3.027 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557853186 505246472 /nfs/dbraw/zinc/24/64/72/505246472.db2.gz YFOISFJQUJZIKA-OTWHNJEPSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156871 505266995 /nfs/dbraw/zinc/26/69/95/505266995.db2.gz WPAGUZMDFXNEAF-QRVBRYPASA-N 2 1 357.542 3.123 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156871 505267001 /nfs/dbraw/zinc/26/70/01/505267001.db2.gz WPAGUZMDFXNEAF-QRVBRYPASA-N 2 1 357.542 3.123 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156871 505267005 /nfs/dbraw/zinc/26/70/05/505267005.db2.gz WPAGUZMDFXNEAF-QRVBRYPASA-N 2 1 357.542 3.123 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156869 505267444 /nfs/dbraw/zinc/26/74/44/505267444.db2.gz WPAGUZMDFXNEAF-GBESFXJTSA-N 2 1 357.542 3.123 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156869 505267446 /nfs/dbraw/zinc/26/74/46/505267446.db2.gz WPAGUZMDFXNEAF-GBESFXJTSA-N 2 1 357.542 3.123 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000561156869 505267447 /nfs/dbraw/zinc/26/74/47/505267447.db2.gz WPAGUZMDFXNEAF-GBESFXJTSA-N 2 1 357.542 3.123 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 ZINC000566987810 505331148 /nfs/dbraw/zinc/33/11/48/505331148.db2.gz GLASAJUHBFIZPG-UZLBHIALSA-N 2 1 361.505 3.340 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000551908376 505339602 /nfs/dbraw/zinc/33/96/02/505339602.db2.gz HRVNOMQRYAZZLJ-YLJYHZDGSA-N 2 1 373.541 3.067 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000551908428 505339626 /nfs/dbraw/zinc/33/96/26/505339626.db2.gz QTFLQYQFLCJECR-ROUUACIJSA-N 2 1 357.542 3.405 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000567036895 505345023 /nfs/dbraw/zinc/34/50/23/505345023.db2.gz LDCMDMIJBQHHOX-CQSZACIVSA-N 2 1 372.456 3.168 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000567036895 505345028 /nfs/dbraw/zinc/34/50/28/505345028.db2.gz LDCMDMIJBQHHOX-CQSZACIVSA-N 2 1 372.456 3.168 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261238 505346857 /nfs/dbraw/zinc/34/68/57/505346857.db2.gz ZXKDLZBJKFIGDY-ICSRJNTNSA-N 2 1 361.493 3.440 20 0 FGADMP CN(C[C@@H](O)C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000564202687 505351528 /nfs/dbraw/zinc/35/15/28/505351528.db2.gz VUUCJBRSDWPGLC-LBPRGKRZSA-N 2 1 367.704 3.070 20 0 FGADMP COc1c(O)cccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564312531 505379866 /nfs/dbraw/zinc/37/98/66/505379866.db2.gz NIQLRMAHLATGCI-QFIPXVFZSA-N 2 1 352.478 3.499 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@H]21 ZINC000552044158 505380392 /nfs/dbraw/zinc/38/03/92/505380392.db2.gz SLDLZTPXPDEWTB-LTIDMASMSA-N 2 1 365.468 3.329 20 0 FGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552047643 505380876 /nfs/dbraw/zinc/38/08/76/505380876.db2.gz TWXVVTVUEWKMHB-OUJGAGHGSA-N 2 1 362.583 3.379 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233732 505385977 /nfs/dbraw/zinc/38/59/77/505385977.db2.gz FJWLWMPBTRPNLH-UIFIKXQLSA-N 2 1 374.525 3.259 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000564336846 505388691 /nfs/dbraw/zinc/38/86/91/505388691.db2.gz BXARUYJWBYXSRH-MJGOQNOKSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000564336846 505388695 /nfs/dbraw/zinc/38/86/95/505388695.db2.gz BXARUYJWBYXSRH-MJGOQNOKSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000564336846 505388698 /nfs/dbraw/zinc/38/86/98/505388698.db2.gz BXARUYJWBYXSRH-MJGOQNOKSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000564336846 505388701 /nfs/dbraw/zinc/38/87/01/505388701.db2.gz BXARUYJWBYXSRH-MJGOQNOKSA-N 2 1 370.541 3.252 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344368 505390578 /nfs/dbraw/zinc/39/05/78/505390578.db2.gz PZKWDFZOAWHYGJ-SJLPKXTDSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344368 505390582 /nfs/dbraw/zinc/39/05/82/505390582.db2.gz PZKWDFZOAWHYGJ-SJLPKXTDSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344368 505390586 /nfs/dbraw/zinc/39/05/86/505390586.db2.gz PZKWDFZOAWHYGJ-SJLPKXTDSA-N 2 1 359.514 3.413 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637477 505396613 /nfs/dbraw/zinc/39/66/13/505396613.db2.gz FBYRPQQVOUZTOM-MAUKXSAKSA-N 2 1 368.953 3.362 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000564433088 505418702 /nfs/dbraw/zinc/41/87/02/505418702.db2.gz LTSLAFYTQNCZED-LPHOPBHVSA-N 2 1 363.465 3.366 20 0 FGADMP CC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000564447598 505422491 /nfs/dbraw/zinc/42/24/91/505422491.db2.gz IZNMDYUWFRPTGD-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552245008 505439489 /nfs/dbraw/zinc/43/94/89/505439489.db2.gz QBXXLPKLOHHXCO-HKBOAZHASA-N 2 1 352.526 3.478 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000552245008 505439491 /nfs/dbraw/zinc/43/94/91/505439491.db2.gz QBXXLPKLOHHXCO-HKBOAZHASA-N 2 1 352.526 3.478 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552245009 505439554 /nfs/dbraw/zinc/43/95/54/505439554.db2.gz QBXXLPKLOHHXCO-PCCBWWKXSA-N 2 1 352.526 3.478 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552245009 505439559 /nfs/dbraw/zinc/43/95/59/505439559.db2.gz QBXXLPKLOHHXCO-PCCBWWKXSA-N 2 1 352.526 3.478 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H]2CCC[C@@H]21 ZINC000552285704 505451220 /nfs/dbraw/zinc/45/12/20/505451220.db2.gz ZKFTWURATKVPPT-IKGGRYGDSA-N 2 1 365.315 3.346 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000567410585 505454573 /nfs/dbraw/zinc/45/45/73/505454573.db2.gz XDJVCJDKXICNTF-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000567410585 505454578 /nfs/dbraw/zinc/45/45/78/505454578.db2.gz XDJVCJDKXICNTF-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000567410585 505454582 /nfs/dbraw/zinc/45/45/82/505454582.db2.gz XDJVCJDKXICNTF-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976794 505483085 /nfs/dbraw/zinc/48/30/85/505483085.db2.gz SDCRHASFLUGIMT-GOSISDBHSA-N 2 1 373.520 3.064 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546558 505494771 /nfs/dbraw/zinc/49/47/71/505494771.db2.gz VJWQICRNKUCMBX-IEBWSBKVSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546558 505494772 /nfs/dbraw/zinc/49/47/72/505494772.db2.gz VJWQICRNKUCMBX-IEBWSBKVSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546558 505494773 /nfs/dbraw/zinc/49/47/73/505494773.db2.gz VJWQICRNKUCMBX-IEBWSBKVSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546558 505494774 /nfs/dbraw/zinc/49/47/74/505494774.db2.gz VJWQICRNKUCMBX-IEBWSBKVSA-N 2 1 363.571 3.210 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038402 505498769 /nfs/dbraw/zinc/49/87/69/505498769.db2.gz PMLORSFWRVDKJU-HFTRVMKXSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038402 505498770 /nfs/dbraw/zinc/49/87/70/505498770.db2.gz PMLORSFWRVDKJU-HFTRVMKXSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@H+](Cc1ccccc1CNC(=O)CC(F)(F)C[NH3+])C1CCCCC1 ZINC000567622723 505517244 /nfs/dbraw/zinc/51/72/44/505517244.db2.gz PQHCISNVLNEZNZ-UHFFFAOYSA-N 2 1 353.457 3.051 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC(F)(F)C[NH3+])C1CCCCC1 ZINC000567622723 505517248 /nfs/dbraw/zinc/51/72/48/505517248.db2.gz PQHCISNVLNEZNZ-UHFFFAOYSA-N 2 1 353.457 3.051 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1)CC(C)C ZINC000552695116 505537214 /nfs/dbraw/zinc/53/72/14/505537214.db2.gz VUWQPUSFCWAMNB-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)CC(C)C ZINC000552695116 505537215 /nfs/dbraw/zinc/53/72/15/505537215.db2.gz VUWQPUSFCWAMNB-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1)CC(C)C ZINC000552695116 505537219 /nfs/dbraw/zinc/53/72/19/505537219.db2.gz VUWQPUSFCWAMNB-FQEVSTJZSA-N 2 1 351.579 3.467 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000562240367 505549721 /nfs/dbraw/zinc/54/97/21/505549721.db2.gz BLMMEOJNDCQTCI-OAQYLSRUSA-N 2 1 374.573 3.318 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000562240367 505549723 /nfs/dbraw/zinc/54/97/23/505549723.db2.gz BLMMEOJNDCQTCI-OAQYLSRUSA-N 2 1 374.573 3.318 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000562240367 505549724 /nfs/dbraw/zinc/54/97/24/505549724.db2.gz BLMMEOJNDCQTCI-OAQYLSRUSA-N 2 1 374.573 3.318 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C(C)C ZINC000559012489 505550886 /nfs/dbraw/zinc/55/08/86/505550886.db2.gz DIBYMNUCPQKBPK-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C(C)C ZINC000559012489 505550889 /nfs/dbraw/zinc/55/08/89/505550889.db2.gz DIBYMNUCPQKBPK-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)C ZINC000559012489 505550890 /nfs/dbraw/zinc/55/08/90/505550890.db2.gz DIBYMNUCPQKBPK-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccccc1 ZINC000567734362 505552598 /nfs/dbraw/zinc/55/25/98/505552598.db2.gz FBLVDHNJMHLQNR-WOJBJXKFSA-N 2 1 352.478 3.316 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccccc1 ZINC000567734362 505552602 /nfs/dbraw/zinc/55/26/02/505552602.db2.gz FBLVDHNJMHLQNR-WOJBJXKFSA-N 2 1 352.478 3.316 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567772996 505561704 /nfs/dbraw/zinc/56/17/04/505561704.db2.gz RGBWUYZUKGVVQT-UIFIKXQLSA-N 2 1 351.494 3.418 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955334 505562813 /nfs/dbraw/zinc/56/28/13/505562813.db2.gz XBCIYRNKJOZPSE-VXKWHMMOSA-N 2 1 365.521 3.495 20 0 FGADMP Cn1cc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000608053607 506396563 /nfs/dbraw/zinc/39/65/63/506396563.db2.gz LREWXHMSLWSJPD-UHFFFAOYSA-N 2 1 361.493 3.368 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324520 506412761 /nfs/dbraw/zinc/41/27/61/506412761.db2.gz ZTMVHRXTRFBCQY-PGRDOPGGSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324520 506412764 /nfs/dbraw/zinc/41/27/64/506412764.db2.gz ZTMVHRXTRFBCQY-PGRDOPGGSA-N 2 1 365.521 3.161 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000589209029 506484297 /nfs/dbraw/zinc/48/42/97/506484297.db2.gz KMORRMCRIVOUFN-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000589209029 506484307 /nfs/dbraw/zinc/48/43/07/506484307.db2.gz KMORRMCRIVOUFN-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000589209029 506484312 /nfs/dbraw/zinc/48/43/12/506484312.db2.gz KMORRMCRIVOUFN-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000589209794 506484538 /nfs/dbraw/zinc/48/45/38/506484538.db2.gz XCVPSVSJUDHETG-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000589209794 506484541 /nfs/dbraw/zinc/48/45/41/506484541.db2.gz XCVPSVSJUDHETG-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000589209794 506484550 /nfs/dbraw/zinc/48/45/50/506484550.db2.gz XCVPSVSJUDHETG-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217231 506489339 /nfs/dbraw/zinc/48/93/39/506489339.db2.gz DTADQHCYEUZDIX-AZUAARDMSA-N 2 1 360.546 3.161 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1C ZINC000596650323 506509487 /nfs/dbraw/zinc/50/94/87/506509487.db2.gz OYCQVRJKTPOBRQ-DSFJHFMVSA-N 2 1 362.489 3.229 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000608358007 506523665 /nfs/dbraw/zinc/52/36/65/506523665.db2.gz JRUXXXIRUXSZHQ-UHFFFAOYSA-N 2 1 357.498 3.441 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C(C)C)n3ccccc23)C1 ZINC000583029629 506550105 /nfs/dbraw/zinc/55/01/05/506550105.db2.gz XYTKSGPAVWXHNF-GOSISDBHSA-N 2 1 358.530 3.390 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C(C)C)n3ccccc23)C1 ZINC000583029629 506550112 /nfs/dbraw/zinc/55/01/12/506550112.db2.gz XYTKSGPAVWXHNF-GOSISDBHSA-N 2 1 358.530 3.390 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583089088 506584504 /nfs/dbraw/zinc/58/45/04/506584504.db2.gz JOQSOJKNVUHJOC-UHFFFAOYSA-N 2 1 351.494 3.056 20 0 FGADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000608613742 506632914 /nfs/dbraw/zinc/63/29/14/506632914.db2.gz MHXUCFIMMORLQU-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000608613742 506632919 /nfs/dbraw/zinc/63/29/19/506632919.db2.gz MHXUCFIMMORLQU-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000608613742 506632921 /nfs/dbraw/zinc/63/29/21/506632921.db2.gz MHXUCFIMMORLQU-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000589992891 506698360 /nfs/dbraw/zinc/69/83/60/506698360.db2.gz IWSVJCIMYVBIEY-WOJBJXKFSA-N 2 1 357.473 3.238 20 0 FGADMP COCCCn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000583321791 506717461 /nfs/dbraw/zinc/71/74/61/506717461.db2.gz FEPXZWFGYOACBE-IFMALSPDSA-N 2 1 370.541 3.092 20 0 FGADMP CN(C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000604201708 506748769 /nfs/dbraw/zinc/74/87/69/506748769.db2.gz GYKGJFXZJVCLIK-SFTDATJTSA-N 2 1 370.541 3.092 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000604204383 506752421 /nfs/dbraw/zinc/75/24/21/506752421.db2.gz FTQVUYCSVPAHOW-NRFANRHFSA-N 2 1 372.557 3.339 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000600137642 506798854 /nfs/dbraw/zinc/79/88/54/506798854.db2.gz CPDHPPZAKROCKL-HKUYNNGSSA-N 2 1 367.493 3.259 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600137642 506798862 /nfs/dbraw/zinc/79/88/62/506798862.db2.gz CPDHPPZAKROCKL-HKUYNNGSSA-N 2 1 367.493 3.259 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962687 506840366 /nfs/dbraw/zinc/84/03/66/506840366.db2.gz ISZPSSSXRDNGOZ-PXNSSMCTSA-N 2 1 370.541 3.002 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782089 506940967 /nfs/dbraw/zinc/94/09/67/506940967.db2.gz FPXVZMWLHQCZNY-MISYRCLQSA-N 2 1 374.573 3.488 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000590786723 506957524 /nfs/dbraw/zinc/95/75/24/506957524.db2.gz KIKCFDDAQYGCJO-AWEZNQCLSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000590786723 506957527 /nfs/dbraw/zinc/95/75/27/506957527.db2.gz KIKCFDDAQYGCJO-AWEZNQCLSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1 ZINC000590786963 506957974 /nfs/dbraw/zinc/95/79/74/506957974.db2.gz OMXNYAKEKUOIID-UHFFFAOYSA-N 2 1 371.978 3.412 20 0 FGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000583929221 507053440 /nfs/dbraw/zinc/05/34/40/507053440.db2.gz SUTFYGHJONQQOP-FGSXEWAUSA-N 2 1 365.521 3.435 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000591096439 507113008 /nfs/dbraw/zinc/11/30/08/507113008.db2.gz NZQAZQCNBDJWKE-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096439 507113015 /nfs/dbraw/zinc/11/30/15/507113015.db2.gz NZQAZQCNBDJWKE-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096439 507113022 /nfs/dbraw/zinc/11/30/22/507113022.db2.gz NZQAZQCNBDJWKE-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)Cc1ccccc1 ZINC000600862677 507149669 /nfs/dbraw/zinc/14/96/69/507149669.db2.gz CGGWLDIKNBMYDS-NHCUHLMSSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203109 507152217 /nfs/dbraw/zinc/15/22/17/507152217.db2.gz DKIFOOOIYJJRBI-FGZHOGPDSA-N 2 1 371.569 3.178 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)CC1 ZINC000584099402 507152654 /nfs/dbraw/zinc/15/26/54/507152654.db2.gz AIRGHZAXHIEPSX-IBGZPJMESA-N 2 1 372.488 3.081 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000600894580 507165172 /nfs/dbraw/zinc/16/51/72/507165172.db2.gz DLKZOSBYTNXUGK-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000584130879 507168768 /nfs/dbraw/zinc/16/87/68/507168768.db2.gz VCFPKJPMOZYOBP-OAQYLSRUSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605403247 507177885 /nfs/dbraw/zinc/17/78/85/507177885.db2.gz BZOUCFQSEMZVNW-FGTMMUONSA-N 2 1 366.509 3.343 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000584268350 507247163 /nfs/dbraw/zinc/24/71/63/507247163.db2.gz IKXYTTSMDJHXFZ-SFHVURJKSA-N 2 1 359.514 3.414 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000584268350 507247168 /nfs/dbraw/zinc/24/71/68/507247168.db2.gz IKXYTTSMDJHXFZ-SFHVURJKSA-N 2 1 359.514 3.414 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000584268350 507247177 /nfs/dbraw/zinc/24/71/77/507247177.db2.gz IKXYTTSMDJHXFZ-SFHVURJKSA-N 2 1 359.514 3.414 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000584268350 507247184 /nfs/dbraw/zinc/24/71/84/507247184.db2.gz IKXYTTSMDJHXFZ-SFHVURJKSA-N 2 1 359.514 3.414 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000591429968 507247880 /nfs/dbraw/zinc/24/78/80/507247880.db2.gz JJZAIZRFBLGDLF-SFHVURJKSA-N 2 1 373.541 3.106 20 0 FGADMP CCCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584290124 507261698 /nfs/dbraw/zinc/26/16/98/507261698.db2.gz FBIWUWLWGZUMND-GGPKGHCWSA-N 2 1 360.546 3.198 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584309811 507270334 /nfs/dbraw/zinc/27/03/34/507270334.db2.gz ZBTQRPRSHVDRLZ-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346154 507293123 /nfs/dbraw/zinc/29/31/23/507293123.db2.gz UTDHIHFHKLDYMQ-WMZOPIPTSA-N 2 1 358.448 3.176 20 0 FGADMP CC(C)c1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000584353843 507298072 /nfs/dbraw/zinc/29/80/72/507298072.db2.gz RTYZZMFDHVKPBS-FQEVSTJZSA-N 2 1 370.566 3.413 20 0 FGADMP CC(C)c1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cs2)cc1 ZINC000584353843 507298082 /nfs/dbraw/zinc/29/80/82/507298082.db2.gz RTYZZMFDHVKPBS-FQEVSTJZSA-N 2 1 370.566 3.413 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000605988257 507319620 /nfs/dbraw/zinc/31/96/20/507319620.db2.gz JROCWPJBYMNJON-NRFANRHFSA-N 2 1 374.573 3.333 20 0 FGADMP C[C@H]1CN(c2ccc(CNc3[nH+]ccc4cc(F)ccc43)cn2)CCO1 ZINC000584407598 507328648 /nfs/dbraw/zinc/32/86/48/507328648.db2.gz RTFKQCJWSXBONI-AWEZNQCLSA-N 2 1 352.413 3.028 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440386 507343740 /nfs/dbraw/zinc/34/37/40/507343740.db2.gz QCCVILLSPVPHSN-HOCLYGCPSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440386 507343742 /nfs/dbraw/zinc/34/37/42/507343742.db2.gz QCCVILLSPVPHSN-HOCLYGCPSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440386 507343748 /nfs/dbraw/zinc/34/37/48/507343748.db2.gz QCCVILLSPVPHSN-HOCLYGCPSA-N 2 1 367.921 3.482 20 0 FGADMP O=C(C[NH2+]Cc1ccc(-c2ccccc2)o1)NCC[NH+]1CCCCCC1 ZINC000584485558 507370737 /nfs/dbraw/zinc/37/07/37/507370737.db2.gz JJVCPENIECFPDF-UHFFFAOYSA-N 2 1 355.482 3.028 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000595140661 507407014 /nfs/dbraw/zinc/40/70/14/507407014.db2.gz LZUWJAUUPFBRPP-PXNSSMCTSA-N 2 1 353.514 3.089 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684805 507479705 /nfs/dbraw/zinc/47/97/05/507479705.db2.gz OKFOFKLBMVPMGH-FXAWDEMLSA-N 2 1 364.578 3.061 20 0 FGADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n2c1CCCC2 ZINC000598678674 507549629 /nfs/dbraw/zinc/54/96/29/507549629.db2.gz LRXYYVOFPWAPRU-UHFFFAOYSA-N 2 1 361.530 3.163 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000607279764 507675396 /nfs/dbraw/zinc/67/53/96/507675396.db2.gz NGCYBHCORISQSK-JTDSTZFVSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000607279764 507675399 /nfs/dbraw/zinc/67/53/99/507675399.db2.gz NGCYBHCORISQSK-JTDSTZFVSA-N 2 1 363.933 3.466 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000607282905 507676780 /nfs/dbraw/zinc/67/67/80/507676780.db2.gz SKSRQGHQEDOLOZ-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491899 507678336 /nfs/dbraw/zinc/67/83/36/507678336.db2.gz PYOHSSSBLYLILH-IAGOWNOFSA-N 2 1 356.466 3.431 20 0 FGADMP C[NH+](C)CCCOc1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000541835176 517239475 /nfs/dbraw/zinc/23/94/75/517239475.db2.gz UDJYUIBACKEGOX-UHFFFAOYSA-N 2 1 369.513 3.410 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843156 568186522 /nfs/dbraw/zinc/18/65/22/568186522.db2.gz WWSZHEBOFMLWOX-NRFANRHFSA-N 2 1 350.466 3.361 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843156 568186523 /nfs/dbraw/zinc/18/65/23/568186523.db2.gz WWSZHEBOFMLWOX-NRFANRHFSA-N 2 1 350.466 3.361 20 0 FGADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843156 568186524 /nfs/dbraw/zinc/18/65/24/568186524.db2.gz WWSZHEBOFMLWOX-NRFANRHFSA-N 2 1 350.466 3.361 20 0 FGADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843156 568186525 /nfs/dbraw/zinc/18/65/25/568186525.db2.gz WWSZHEBOFMLWOX-NRFANRHFSA-N 2 1 350.466 3.361 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870899 568396239 /nfs/dbraw/zinc/39/62/39/568396239.db2.gz OUGSNHQYRHYREB-WZYRSQIMSA-N 2 1 371.569 3.178 20 0 FGADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870899 568396240 /nfs/dbraw/zinc/39/62/40/568396240.db2.gz OUGSNHQYRHYREB-WZYRSQIMSA-N 2 1 371.569 3.178 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000120838132 700660944 /nfs/dbraw/zinc/66/09/44/700660944.db2.gz AWZLHKARTGRRSO-KRWDZBQOSA-N 2 1 353.551 3.344 20 0 FGADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000132363020 700826672 /nfs/dbraw/zinc/82/66/72/700826672.db2.gz ZPSUMHHIQRDOCV-GOSISDBHSA-N 2 1 367.331 3.290 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000132831848 700831913 /nfs/dbraw/zinc/83/19/13/700831913.db2.gz PBFBRDXGPWSNMB-SFHVURJKSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000172831096 705431288 /nfs/dbraw/zinc/43/12/88/705431288.db2.gz GBXKDZWRSGZRPS-MSOLQXFVSA-N 2 1 351.535 3.194 20 0 FGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178469604 705665862 /nfs/dbraw/zinc/66/58/62/705665862.db2.gz WEFAKINMKXPOLD-KBXCAEBGSA-N 2 1 350.503 3.453 20 0 FGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000180049139 705726227 /nfs/dbraw/zinc/72/62/27/705726227.db2.gz JGHGEEWCBLOIDP-KCBNDJSGSA-N 2 1 351.535 3.381 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180427870 705739280 /nfs/dbraw/zinc/73/92/80/705739280.db2.gz LUGWQNWRLXFRHT-ODIFPOPNSA-N 2 1 350.507 3.253 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665801 713656042 /nfs/dbraw/zinc/65/60/42/713656042.db2.gz MMHOTVFDRAABDQ-FXAWDEMLSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@H](C)C1 ZINC000248666426 713656101 /nfs/dbraw/zinc/65/61/01/713656101.db2.gz NRSGOUXWCSXVNN-OLZOCXBDSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@H](C)C1 ZINC000248666426 713656102 /nfs/dbraw/zinc/65/61/02/713656102.db2.gz NRSGOUXWCSXVNN-OLZOCXBDSA-N 2 1 353.388 3.145 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@](C)(CO)C3CCCCC3)sc2C1 ZINC000374612882 713934465 /nfs/dbraw/zinc/93/44/65/713934465.db2.gz NMLGADDSSCRTAY-IBGZPJMESA-N 2 1 351.560 3.331 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071500 714064198 /nfs/dbraw/zinc/06/41/98/714064198.db2.gz PWXKCJFMJJIDFS-OAHLLOKOSA-N 2 1 363.468 3.126 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812592 714253960 /nfs/dbraw/zinc/25/39/60/714253960.db2.gz MFWIVYLLIIEXDK-WMZOPIPTSA-N 2 1 366.575 3.161 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000525372920 714347540 /nfs/dbraw/zinc/34/75/40/714347540.db2.gz HMYHVPJNYHPDKR-OAHLLOKOSA-N 2 1 370.900 3.359 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1O ZINC000642630937 717985739 /nfs/dbraw/zinc/98/57/39/717985739.db2.gz RRKUWOQSGVNRCS-ZIAGYGMSSA-N 2 1 369.303 3.270 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1O ZINC000642630937 717985740 /nfs/dbraw/zinc/98/57/40/717985740.db2.gz RRKUWOQSGVNRCS-ZIAGYGMSSA-N 2 1 369.303 3.270 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104813 714960475 /nfs/dbraw/zinc/96/04/75/714960475.db2.gz FJMBWJZFNUXMBR-QFBILLFUSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104813 714960476 /nfs/dbraw/zinc/96/04/76/714960476.db2.gz FJMBWJZFNUXMBR-QFBILLFUSA-N 2 1 363.933 3.181 20 0 FGADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003765 715046604 /nfs/dbraw/zinc/04/66/04/715046604.db2.gz FNZJHFARRXICQT-WMLDXEAASA-N 2 1 350.388 3.204 20 0 FGADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003765 715046613 /nfs/dbraw/zinc/04/66/13/715046613.db2.gz FNZJHFARRXICQT-WMLDXEAASA-N 2 1 350.388 3.204 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397217 715326853 /nfs/dbraw/zinc/32/68/53/715326853.db2.gz YMIRBMSNOZWDMS-IRXDYDNUSA-N 2 1 363.571 3.264 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397217 715326860 /nfs/dbraw/zinc/32/68/60/715326860.db2.gz YMIRBMSNOZWDMS-IRXDYDNUSA-N 2 1 363.571 3.264 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399248 715327729 /nfs/dbraw/zinc/32/77/29/715327729.db2.gz CZHQMBHTSSKPJV-HZPDHXFCSA-N 2 1 366.347 3.490 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414154 715331112 /nfs/dbraw/zinc/33/11/12/715331112.db2.gz VTVFQXLJGXOFAX-KRWDZBQOSA-N 2 1 364.603 3.380 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414154 715331115 /nfs/dbraw/zinc/33/11/15/715331115.db2.gz VTVFQXLJGXOFAX-KRWDZBQOSA-N 3 1 364.603 3.380 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414154 715331119 /nfs/dbraw/zinc/33/11/19/715331119.db2.gz VTVFQXLJGXOFAX-KRWDZBQOSA-N 3 1 364.603 3.380 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454520 715340069 /nfs/dbraw/zinc/34/00/69/715340069.db2.gz ILLQLTOISQBTBK-WBVHZDCISA-N 2 1 358.448 3.319 20 0 FGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)CC(F)F ZINC000624329106 715512352 /nfs/dbraw/zinc/51/23/52/715512352.db2.gz MGJZRLZMDRNZES-GUDVDZBRSA-N 2 1 351.485 3.216 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628214380 716126272 /nfs/dbraw/zinc/12/62/72/716126272.db2.gz VDHOWXGLJNQAHF-UHFFFAOYSA-N 2 1 357.464 3.111 20 0 FGADMP [NH3+]CCCOCC[NH2+][C@@H](c1ccco1)c1ccc(Br)cc1 ZINC000629539007 716304629 /nfs/dbraw/zinc/30/46/29/716304629.db2.gz OSJBQFIKHWNJOB-MRXNPFEDSA-N 2 1 353.260 3.087 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1C(F)(F)F ZINC000629564222 716308556 /nfs/dbraw/zinc/30/85/56/716308556.db2.gz RZWCWALIMANXFZ-NWDGAFQWSA-N 2 1 366.330 3.010 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1C(F)(F)F ZINC000629564222 716308562 /nfs/dbraw/zinc/30/85/62/716308562.db2.gz RZWCWALIMANXFZ-NWDGAFQWSA-N 2 1 366.330 3.010 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210942 717532490 /nfs/dbraw/zinc/53/24/90/717532490.db2.gz PQEDONOQAMLYFQ-RLLQIKCJSA-N 2 1 360.567 3.399 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(OCC(F)(F)F)nn1 ZINC000640534919 717761231 /nfs/dbraw/zinc/76/12/31/717761231.db2.gz XIGDBDNAXUQLRS-UHFFFAOYSA-N 2 1 360.424 3.116 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000644525384 718119372 /nfs/dbraw/zinc/11/93/72/718119372.db2.gz CPQFTRPPWDRXAQ-GXTWGEPZSA-N 2 1 372.296 3.164 20 0 FGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)[C@H](c2ccccc2)C1 ZINC000647249180 718343310 /nfs/dbraw/zinc/34/33/10/718343310.db2.gz HPRJATBPPDJVOJ-NEWSRXKRSA-N 2 1 357.523 3.430 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)[C@H](c2ccccc2)C1 ZINC000647249180 718343313 /nfs/dbraw/zinc/34/33/13/718343313.db2.gz HPRJATBPPDJVOJ-NEWSRXKRSA-N 2 1 357.523 3.430 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976246 718391298 /nfs/dbraw/zinc/39/12/98/718391298.db2.gz MBKBMYPIQZJHOE-NUJGCVRESA-N 2 1 363.933 3.056 20 0 FGADMP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586029 718438129 /nfs/dbraw/zinc/43/81/29/718438129.db2.gz VJIURSRBXBSJBY-QGZVFWFLSA-N 2 1 362.905 3.082 20 0 FGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000648806457 718451825 /nfs/dbraw/zinc/45/18/25/718451825.db2.gz IVYCWYMPVKCOQT-PBHICJAKSA-N 2 1 362.905 3.469 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288274 718501230 /nfs/dbraw/zinc/50/12/30/718501230.db2.gz HHCCCFOEDCFUJG-PBHICJAKSA-N 2 1 351.441 3.244 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288208 718501437 /nfs/dbraw/zinc/50/14/37/718501437.db2.gz CZHSPBRXZWOHIW-PBHICJAKSA-N 2 1 351.441 3.102 20 0 FGADMP CC(C)c1ccc(-c2ncc(C[N@@H+](C)CCN3CC[NH2+]CC3)s2)cc1 ZINC000649409638 718512534 /nfs/dbraw/zinc/51/25/34/718512534.db2.gz HCUGMHJIJIIJCJ-UHFFFAOYSA-N 2 1 358.555 3.271 20 0 FGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c(O)c1Br ZINC000650719551 718719390 /nfs/dbraw/zinc/71/93/90/718719390.db2.gz URKIKUFCZHSAOX-UHFFFAOYSA-N 2 1 365.271 3.173 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722276 718720102 /nfs/dbraw/zinc/72/01/02/718720102.db2.gz OPTOVPSALDWHMB-BRWVUGGUSA-N 2 1 353.304 3.310 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652354083 718935847 /nfs/dbraw/zinc/93/58/47/718935847.db2.gz MRMVGRPDYNGEBF-BBRMVZONSA-N 2 1 353.894 3.127 20 0 FGADMP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@H]3c4ccccc4C[NH2+][C@@H]3C2)n1 ZINC001164424312 718943209 /nfs/dbraw/zinc/94/32/09/718943209.db2.gz NWBAFANBOQMBAD-RBUKOAKNSA-N 2 1 368.912 3.406 20 0 FGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(-n2c(C)nc3c2CC[NH2+]CC3)nc1 ZINC001164427133 718949129 /nfs/dbraw/zinc/94/91/29/718949129.db2.gz BFLVCMKLNOMAIW-IBGZPJMESA-N 2 1 353.514 3.201 20 0 FGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000781421357 724562987 /nfs/dbraw/zinc/56/29/87/724562987.db2.gz JBOUXCPAWHIXQX-XMTFNYHQSA-N 2 1 356.432 3.454 20 0 FGADMP Cc1cc(Br)cc(C)c1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703922 719327583 /nfs/dbraw/zinc/32/75/83/719327583.db2.gz NJBXYDWMOIMEDJ-QGZVFWFLSA-N 2 1 367.331 3.409 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCn4ccnc43)CC2)cs1 ZINC000655712509 719328424 /nfs/dbraw/zinc/32/84/24/719328424.db2.gz SKWWBPYPOJASEM-QGZVFWFLSA-N 2 1 359.543 3.239 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1Cl ZINC000655729509 719330455 /nfs/dbraw/zinc/33/04/55/719330455.db2.gz BGJDKGGGUXMXLN-WBVHZDCISA-N 2 1 352.906 3.340 20 0 FGADMP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655735495 719331507 /nfs/dbraw/zinc/33/15/07/719331507.db2.gz IKDHZFWDYWBMCA-YSGRDPCXSA-N 2 1 350.478 3.135 20 0 FGADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657595833 719680877 /nfs/dbraw/zinc/68/08/77/719680877.db2.gz KQCZMFZPMTXZBT-QGZVFWFLSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657595833 719680883 /nfs/dbraw/zinc/68/08/83/719680883.db2.gz KQCZMFZPMTXZBT-QGZVFWFLSA-N 2 1 359.539 3.297 20 0 FGADMP OC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC(F)(F)CC1 ZINC000657776178 719710174 /nfs/dbraw/zinc/71/01/74/719710174.db2.gz AQYBMURVVIYIKF-UHFFFAOYSA-N 2 1 352.469 3.224 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135790 719761525 /nfs/dbraw/zinc/76/15/25/719761525.db2.gz AUMZIFJSRQRKQS-SFTDATJTSA-N 2 1 356.897 3.164 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658166589 719765017 /nfs/dbraw/zinc/76/50/17/719765017.db2.gz BOGQNOIVJIIKDL-MANSERQUSA-N 2 1 350.453 3.301 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230273 719771662 /nfs/dbraw/zinc/77/16/62/719771662.db2.gz XKHLGPVAFVYZJU-ZJOUEHCJSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230273 719771667 /nfs/dbraw/zinc/77/16/67/719771667.db2.gz XKHLGPVAFVYZJU-ZJOUEHCJSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000658230273 719771670 /nfs/dbraw/zinc/77/16/70/719771670.db2.gz XKHLGPVAFVYZJU-ZJOUEHCJSA-N 2 1 351.579 3.120 20 0 FGADMP CN(C)c1cccc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)[nH+]1 ZINC001164694655 719887334 /nfs/dbraw/zinc/88/73/34/719887334.db2.gz BSTQNGJRKRSFHY-UHFFFAOYSA-N 2 1 372.538 3.081 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652264 720091098 /nfs/dbraw/zinc/09/10/98/720091098.db2.gz HYAXMFDIEYRSQW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652264 720091101 /nfs/dbraw/zinc/09/11/01/720091101.db2.gz HYAXMFDIEYRSQW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652264 720091105 /nfs/dbraw/zinc/09/11/05/720091105.db2.gz HYAXMFDIEYRSQW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652264 720091108 /nfs/dbraw/zinc/09/11/08/720091108.db2.gz HYAXMFDIEYRSQW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP CC[C@H](C)[N@@H+](CC)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000661104216 720188466 /nfs/dbraw/zinc/18/84/66/720188466.db2.gz JVGGDQRLYROOTO-HNNXBMFYSA-N 2 1 352.548 3.434 20 0 FGADMP COc1ccccc1C[N@H+](Cc1cccs1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249368 720404845 /nfs/dbraw/zinc/40/48/45/720404845.db2.gz UKGKEZCHYNPADJ-QGZVFWFLSA-N 2 1 358.507 3.280 20 0 FGADMP Brc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252654 720405471 /nfs/dbraw/zinc/40/54/71/720405471.db2.gz QHKSNYUMLKVXDE-CVEARBPZSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285550 720409927 /nfs/dbraw/zinc/40/99/27/720409927.db2.gz LJFCFGSSKFOZRK-UNEWFSDZSA-N 2 1 356.482 3.275 20 0 FGADMP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662285191 720410070 /nfs/dbraw/zinc/41/00/70/720410070.db2.gz ZHFFTNQTLXHJDB-ATZDWAIDSA-N 2 1 350.528 3.148 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291239 720410435 /nfs/dbraw/zinc/41/04/35/720410435.db2.gz QCIXCNLLTPRYDS-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502776 720435802 /nfs/dbraw/zinc/43/58/02/720435802.db2.gz MPUGNFUSJJJRPX-MJEQTWJJSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502776 720435804 /nfs/dbraw/zinc/43/58/04/720435804.db2.gz MPUGNFUSJJJRPX-MJEQTWJJSA-N 2 1 370.324 3.197 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662511044 720436840 /nfs/dbraw/zinc/43/68/40/720436840.db2.gz IBMGNQCBDCRLFT-MOPGFXCFSA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662511044 720436841 /nfs/dbraw/zinc/43/68/41/720436841.db2.gz IBMGNQCBDCRLFT-MOPGFXCFSA-N 2 1 355.869 3.118 20 0 FGADMP C[NH2+][C@H](C(=O)NC1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662524562 720438096 /nfs/dbraw/zinc/43/80/96/720438096.db2.gz LSWIBSPKANWRKQ-KRWDZBQOSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1cccc(Cl)c1 ZINC000662591574 720444032 /nfs/dbraw/zinc/44/40/32/720444032.db2.gz UDUZBCLKXILNOJ-MJGOQNOKSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589326 720444109 /nfs/dbraw/zinc/44/41/09/720444109.db2.gz AXQURVISKOPTHK-LRDDRELGSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589326 720444112 /nfs/dbraw/zinc/44/41/12/720444112.db2.gz AXQURVISKOPTHK-LRDDRELGSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662704282 720453401 /nfs/dbraw/zinc/45/34/01/720453401.db2.gz YGTYANYDRNXLDW-ZBEGNZNMSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000662783052 720457873 /nfs/dbraw/zinc/45/78/73/720457873.db2.gz NFVVWVXVRNTVTA-UHFFFAOYSA-N 2 1 366.284 3.086 20 0 FGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663467084 720517925 /nfs/dbraw/zinc/51/79/25/720517925.db2.gz CTQCHEIHSWIAHQ-PBHICJAKSA-N 2 1 351.560 3.413 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666856489 720991576 /nfs/dbraw/zinc/99/15/76/720991576.db2.gz LPBNXSFNMNRYIS-INIZCTEOSA-N 2 1 363.303 3.175 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)cc1F ZINC000667069234 721022733 /nfs/dbraw/zinc/02/27/33/721022733.db2.gz UHAWGUPDXIGXBA-ZDUSSCGKSA-N 2 1 358.889 3.181 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)cc1F ZINC000667069234 721022740 /nfs/dbraw/zinc/02/27/40/721022740.db2.gz UHAWGUPDXIGXBA-ZDUSSCGKSA-N 2 1 358.889 3.181 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1C(C)(F)F ZINC000667184107 721048436 /nfs/dbraw/zinc/04/84/36/721048436.db2.gz INZRCYQQBKGAKD-AWEZNQCLSA-N 2 1 356.461 3.192 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1C(C)(F)F ZINC000667184107 721048442 /nfs/dbraw/zinc/04/84/42/721048442.db2.gz INZRCYQQBKGAKD-AWEZNQCLSA-N 2 1 356.461 3.192 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806701 721979902 /nfs/dbraw/zinc/97/99/02/721979902.db2.gz QBRUJFKYJSQLII-CRAIPNDOSA-N 2 1 368.518 3.288 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679676090 722039834 /nfs/dbraw/zinc/03/98/34/722039834.db2.gz UZZKSTADOCOAFM-KRWDZBQOSA-N 2 1 355.404 3.397 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000679676090 722039835 /nfs/dbraw/zinc/03/98/35/722039835.db2.gz UZZKSTADOCOAFM-KRWDZBQOSA-N 2 1 355.404 3.397 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(C(C)(C)C)s1 ZINC000685456124 722385635 /nfs/dbraw/zinc/38/56/35/722385635.db2.gz QRBQRHBYFFRAOV-MRXNPFEDSA-N 2 1 352.592 3.289 20 0 FGADMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457136 722385925 /nfs/dbraw/zinc/38/59/25/722385925.db2.gz FCZPPTUMCREQQM-CQSZACIVSA-N 2 1 361.477 3.367 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293979 722412936 /nfs/dbraw/zinc/41/29/36/722412936.db2.gz XDKQWEBRQQFONT-ZKXLYKBJSA-N 2 1 351.535 3.094 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1I ZINC000729681171 722461591 /nfs/dbraw/zinc/46/15/91/722461591.db2.gz FSQRFGGZSDWTSC-LBPRGKRZSA-N 2 1 369.250 3.222 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000734487859 722507777 /nfs/dbraw/zinc/50/77/77/722507777.db2.gz XNVXOXMVWGVRBE-QAPCUYQASA-N 2 1 355.448 3.478 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487859 722507778 /nfs/dbraw/zinc/50/77/78/722507778.db2.gz XNVXOXMVWGVRBE-QAPCUYQASA-N 2 1 355.448 3.478 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cn2c3ccc(Cl)cc3oc2=O)CC1 ZINC000738070414 722528235 /nfs/dbraw/zinc/52/82/35/722528235.db2.gz GGGLPSCZJHOLKW-UHFFFAOYSA-N 2 1 351.878 3.259 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886772 722539201 /nfs/dbraw/zinc/53/92/01/722539201.db2.gz ZJKWFLWLJKLAGY-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886772 722539202 /nfs/dbraw/zinc/53/92/02/722539202.db2.gz ZJKWFLWLJKLAGY-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000740886772 722539203 /nfs/dbraw/zinc/53/92/03/722539203.db2.gz ZJKWFLWLJKLAGY-SQNIBIBYSA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886768 722539213 /nfs/dbraw/zinc/53/92/13/722539213.db2.gz ZJKWFLWLJKLAGY-BZSNNMDCSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886768 722539214 /nfs/dbraw/zinc/53/92/14/722539214.db2.gz ZJKWFLWLJKLAGY-BZSNNMDCSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886768 722539215 /nfs/dbraw/zinc/53/92/15/722539215.db2.gz ZJKWFLWLJKLAGY-BZSNNMDCSA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)cc1 ZINC000750734480 722779523 /nfs/dbraw/zinc/77/95/23/722779523.db2.gz GQBWAQUJZBUKQB-DLENHJPASA-N 2 1 363.933 3.228 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)CCCC[NH+]3CCCC3)sc2C1 ZINC000752840874 722874390 /nfs/dbraw/zinc/87/43/90/722874390.db2.gz RKMCMPWJYBVODV-UHFFFAOYSA-N 2 1 350.532 3.114 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)CCCC[NH+]3CCCC3)sc2C1 ZINC000752840874 722874391 /nfs/dbraw/zinc/87/43/91/722874391.db2.gz RKMCMPWJYBVODV-UHFFFAOYSA-N 2 1 350.532 3.114 20 0 FGADMP CCCC[N@H+]1Cc2ccc(NC(=S)NCC3CC[NH+](C)CC3)cc2C1 ZINC000760476921 723058215 /nfs/dbraw/zinc/05/82/15/723058215.db2.gz LGMASTYNQKNIFO-UHFFFAOYSA-N 2 1 360.571 3.431 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000760659841 723076540 /nfs/dbraw/zinc/07/65/40/723076540.db2.gz ZVPVPENEMHNEJP-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000760659841 723076544 /nfs/dbraw/zinc/07/65/44/723076544.db2.gz ZVPVPENEMHNEJP-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000760657673 723076602 /nfs/dbraw/zinc/07/66/02/723076602.db2.gz PULBGGSKLGADCZ-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000760657673 723076604 /nfs/dbraw/zinc/07/66/04/723076604.db2.gz PULBGGSKLGADCZ-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP O[C@@H](C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000792927206 723383654 /nfs/dbraw/zinc/38/36/54/723383654.db2.gz PKIJXSPQAVDNDF-HXUWFJFHSA-N 2 1 356.535 3.174 20 0 FGADMP O[C@@H](C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000792927206 723383656 /nfs/dbraw/zinc/38/36/56/723383656.db2.gz PKIJXSPQAVDNDF-HXUWFJFHSA-N 2 1 356.535 3.174 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000792970962 723388407 /nfs/dbraw/zinc/38/84/07/723388407.db2.gz WOKKWYFLNMWBSR-MSOLQXFVSA-N 2 1 356.432 3.481 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000792970962 723388418 /nfs/dbraw/zinc/38/84/18/723388418.db2.gz WOKKWYFLNMWBSR-MSOLQXFVSA-N 2 1 356.432 3.481 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000766120643 723556809 /nfs/dbraw/zinc/55/68/09/723556809.db2.gz AENJUUYNQWJQMK-NEWSRXKRSA-N 2 1 350.572 3.379 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000766120643 723556811 /nfs/dbraw/zinc/55/68/11/723556811.db2.gz AENJUUYNQWJQMK-NEWSRXKRSA-N 2 1 350.572 3.379 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=S)NCCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000795092689 723562370 /nfs/dbraw/zinc/56/23/70/723562370.db2.gz UCLATXIVOYDORN-QGZVFWFLSA-N 2 1 370.994 3.139 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102532 723563153 /nfs/dbraw/zinc/56/31/53/723563153.db2.gz URXVTQAOUMFKCM-RCCFBDPRSA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102532 723563155 /nfs/dbraw/zinc/56/31/55/723563155.db2.gz URXVTQAOUMFKCM-RCCFBDPRSA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102532 723563156 /nfs/dbraw/zinc/56/31/56/723563156.db2.gz URXVTQAOUMFKCM-RCCFBDPRSA-N 2 1 351.535 3.192 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000766250297 723564611 /nfs/dbraw/zinc/56/46/11/723564611.db2.gz KUCZVPDUPXMOAM-HNAYVOBHSA-N 2 1 350.507 3.255 20 0 FGADMP CC[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000766379317 723570875 /nfs/dbraw/zinc/57/08/75/723570875.db2.gz CPUQZRSJAJCWDU-INIZCTEOSA-N 2 1 365.587 3.436 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc3nsnc32)CC1 ZINC000766978724 723602275 /nfs/dbraw/zinc/60/22/75/723602275.db2.gz WIACBORGOOLHOB-UHFFFAOYSA-N 2 1 362.543 3.262 20 0 FGADMP CC[N@@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000798379539 723927525 /nfs/dbraw/zinc/92/75/25/723927525.db2.gz PECTVLRERRLWSY-OAHLLOKOSA-N 2 1 354.951 3.172 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000798379539 723927528 /nfs/dbraw/zinc/92/75/28/723927528.db2.gz PECTVLRERRLWSY-OAHLLOKOSA-N 2 1 354.951 3.172 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174765 723995061 /nfs/dbraw/zinc/99/50/61/723995061.db2.gz MTKJKCVBMLJPON-QFBILLFUSA-N 2 1 354.922 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174765 723995063 /nfs/dbraw/zinc/99/50/63/723995063.db2.gz MTKJKCVBMLJPON-QFBILLFUSA-N 2 1 354.922 3.196 20 0 FGADMP C[C@@H](OC[C@H](O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174766 723995110 /nfs/dbraw/zinc/99/51/10/723995110.db2.gz MTKJKCVBMLJPON-VQIMIIECSA-N 2 1 354.922 3.196 20 0 FGADMP C[C@@H](OC[C@H](O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174766 723995113 /nfs/dbraw/zinc/99/51/13/723995113.db2.gz MTKJKCVBMLJPON-VQIMIIECSA-N 2 1 354.922 3.196 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949004 724349653 /nfs/dbraw/zinc/34/96/53/724349653.db2.gz AKGYXAIKAKBUMM-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000787034973 725014427 /nfs/dbraw/zinc/01/44/27/725014427.db2.gz MIBDGBAFHFGYHS-ZOCIIQOWSA-N 2 1 372.912 3.239 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805763404 725092569 /nfs/dbraw/zinc/09/25/69/725092569.db2.gz LAQMZGQGRWIBKY-QGZVFWFLSA-N 2 1 350.507 3.351 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000805763404 725092572 /nfs/dbraw/zinc/09/25/72/725092572.db2.gz LAQMZGQGRWIBKY-QGZVFWFLSA-N 2 1 350.507 3.351 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826637 725098809 /nfs/dbraw/zinc/09/88/09/725098809.db2.gz FNLYLDFTCOGORH-RBUKOAKNSA-N 2 1 351.535 3.384 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826637 725098811 /nfs/dbraw/zinc/09/88/11/725098811.db2.gz FNLYLDFTCOGORH-RBUKOAKNSA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826637 725098813 /nfs/dbraw/zinc/09/88/13/725098813.db2.gz FNLYLDFTCOGORH-RBUKOAKNSA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)NC1CCCCC1 ZINC000805826637 725098815 /nfs/dbraw/zinc/09/88/15/725098815.db2.gz FNLYLDFTCOGORH-RBUKOAKNSA-N 2 1 351.535 3.384 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157435 725118676 /nfs/dbraw/zinc/11/86/76/725118676.db2.gz FVOGJLGYFPLEBK-FUHWJXTLSA-N 2 1 357.885 3.079 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144094 727044830 /nfs/dbraw/zinc/04/48/30/727044830.db2.gz UFYBJQFCKGKGAQ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144094 727044835 /nfs/dbraw/zinc/04/48/35/727044835.db2.gz UFYBJQFCKGKGAQ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144094 727044840 /nfs/dbraw/zinc/04/48/40/727044840.db2.gz UFYBJQFCKGKGAQ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144094 727044845 /nfs/dbraw/zinc/04/48/45/727044845.db2.gz UFYBJQFCKGKGAQ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265036 727362634 /nfs/dbraw/zinc/36/26/34/727362634.db2.gz LAQSBVIBSAOCAJ-GUYCJALGSA-N 2 1 361.313 3.117 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)CCCn2cc[nH+]c2C)[NH+](C)C)cc1 ZINC000819336164 727368516 /nfs/dbraw/zinc/36/85/16/727368516.db2.gz RUIFMTHJXGYVRD-GOSISDBHSA-N 2 1 360.527 3.113 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000824559764 729347036 /nfs/dbraw/zinc/34/70/36/729347036.db2.gz YROXNOVOHDOTLM-AEFFLSMTSA-N 2 1 353.551 3.342 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049289 729439193 /nfs/dbraw/zinc/43/91/93/729439193.db2.gz QPIFBAHEGVMNIG-IAGOWNOFSA-N 2 1 366.937 3.204 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Cl)c(Cl)c1 ZINC000843363853 730610987 /nfs/dbraw/zinc/61/09/87/730610987.db2.gz FPNYKXXYNOZDQT-CYBMUJFWSA-N 2 1 370.324 3.246 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843400630 730615242 /nfs/dbraw/zinc/61/52/42/730615242.db2.gz VMDVBRKKYHWGBB-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304174 730700522 /nfs/dbraw/zinc/70/05/22/730700522.db2.gz MRBSSCOKGXWYOT-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304174 730700524 /nfs/dbraw/zinc/70/05/24/730700524.db2.gz MRBSSCOKGXWYOT-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000844304174 730700525 /nfs/dbraw/zinc/70/05/25/730700525.db2.gz MRBSSCOKGXWYOT-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc(Cl)c(C)c3)CC2)CC1 ZINC000847542457 731063484 /nfs/dbraw/zinc/06/34/84/731063484.db2.gz OECZHPGZUANTTQ-UHFFFAOYSA-N 2 1 364.921 3.178 20 0 FGADMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000849105539 731229894 /nfs/dbraw/zinc/22/98/94/731229894.db2.gz STUXDUKRCNTFTB-INIZCTEOSA-N 2 1 354.420 3.336 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538430 731370918 /nfs/dbraw/zinc/37/09/18/731370918.db2.gz FIIJTKQVZORGKZ-WBVHZDCISA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538430 731370922 /nfs/dbraw/zinc/37/09/22/731370922.db2.gz FIIJTKQVZORGKZ-WBVHZDCISA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538427 731370976 /nfs/dbraw/zinc/37/09/76/731370976.db2.gz FIIJTKQVZORGKZ-DOTOQJQBSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538427 731370979 /nfs/dbraw/zinc/37/09/79/731370979.db2.gz FIIJTKQVZORGKZ-DOTOQJQBSA-N 2 1 351.535 3.238 20 0 FGADMP CO[C@@H]1CC[C@H]([NH+]2CCCC3(CCC[N@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057322 731539534 /nfs/dbraw/zinc/53/95/34/731539534.db2.gz KZSGVPMTURJZGK-PPSGHYAZSA-N 2 1 350.547 3.299 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107030 731544051 /nfs/dbraw/zinc/54/40/51/731544051.db2.gz HSCIPNVIFQTXFU-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107030 731544053 /nfs/dbraw/zinc/54/40/53/731544053.db2.gz HSCIPNVIFQTXFU-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107030 731544055 /nfs/dbraw/zinc/54/40/55/731544055.db2.gz HSCIPNVIFQTXFU-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084555 731662047 /nfs/dbraw/zinc/66/20/47/731662047.db2.gz QWXWFSAGZUIWDP-ZWKOTPCHSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119586 732182609 /nfs/dbraw/zinc/18/26/09/732182609.db2.gz PISIPXVCVHODFH-YESZJQIVSA-N 2 1 353.551 3.484 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000859133436 732281544 /nfs/dbraw/zinc/28/15/44/732281544.db2.gz HATPYQKVTZJHJY-PMACEKPBSA-N 2 1 370.654 3.412 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438041 733200792 /nfs/dbraw/zinc/20/07/92/733200792.db2.gz XWNVUKHBXGBUGK-ZIAGYGMSSA-N 2 1 367.456 3.154 20 0 FGADMP CCOC(=O)c1ncc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156358 735596978 /nfs/dbraw/zinc/59/69/78/735596978.db2.gz ILZFMDARAHGPPG-PBHICJAKSA-N 2 1 365.543 3.439 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCCCC[NH3+] ZINC000872155610 735597151 /nfs/dbraw/zinc/59/71/51/735597151.db2.gz WGXDRSBNYZKJAQ-CYBMUJFWSA-N 2 1 356.308 3.227 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000876595908 736118955 /nfs/dbraw/zinc/11/89/55/736118955.db2.gz BOTNISSTNDAZLC-AWEZNQCLSA-N 2 1 369.303 3.009 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Br ZINC000876595908 736118958 /nfs/dbraw/zinc/11/89/58/736118958.db2.gz BOTNISSTNDAZLC-AWEZNQCLSA-N 2 1 369.303 3.009 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000876595908 736118961 /nfs/dbraw/zinc/11/89/61/736118961.db2.gz BOTNISSTNDAZLC-AWEZNQCLSA-N 2 1 369.303 3.009 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000876595908 736118967 /nfs/dbraw/zinc/11/89/67/736118967.db2.gz BOTNISSTNDAZLC-AWEZNQCLSA-N 2 1 369.303 3.009 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000877149610 736193193 /nfs/dbraw/zinc/19/31/93/736193193.db2.gz DPZBPQWRHJUHQC-OSPHWJPCSA-N 2 1 360.479 3.334 20 0 FGADMP CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000877983455 736752590 /nfs/dbraw/zinc/75/25/90/736752590.db2.gz PZSVDAVTEIBRNG-UHFFFAOYSA-N 2 1 358.313 3.026 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000877983455 736752594 /nfs/dbraw/zinc/75/25/94/736752594.db2.gz PZSVDAVTEIBRNG-UHFFFAOYSA-N 2 1 358.313 3.026 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575199 737010252 /nfs/dbraw/zinc/01/02/52/737010252.db2.gz IBTSWXOLLRNZRT-WBMJQRKESA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575199 737010256 /nfs/dbraw/zinc/01/02/56/737010256.db2.gz IBTSWXOLLRNZRT-WBMJQRKESA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575199 737010260 /nfs/dbraw/zinc/01/02/60/737010260.db2.gz IBTSWXOLLRNZRT-WBMJQRKESA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575199 737010266 /nfs/dbraw/zinc/01/02/66/737010266.db2.gz IBTSWXOLLRNZRT-WBMJQRKESA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000879575199 737010272 /nfs/dbraw/zinc/01/02/72/737010272.db2.gz IBTSWXOLLRNZRT-WBMJQRKESA-N 2 1 356.297 3.348 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883361322 737558335 /nfs/dbraw/zinc/55/83/35/737558335.db2.gz ZQBXVYRYPBEVQE-NWANDNLSSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883361323 737558675 /nfs/dbraw/zinc/55/86/75/737558675.db2.gz ZQBXVYRYPBEVQE-QEJZJMRPSA-N 2 1 366.374 3.045 20 0 FGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441180 737566834 /nfs/dbraw/zinc/56/68/34/737566834.db2.gz JHNQHIHREZTVKB-YZGWKJHDSA-N 2 1 350.547 3.334 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000884346841 737657383 /nfs/dbraw/zinc/65/73/83/737657383.db2.gz CFLVOKZWVGGLKJ-MOPGFXCFSA-N 2 1 362.587 3.018 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894535095 742296444 /nfs/dbraw/zinc/29/64/44/742296444.db2.gz ZSDMNWKQFWDJIC-YJNKXOJESA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894535095 742296448 /nfs/dbraw/zinc/29/64/48/742296448.db2.gz ZSDMNWKQFWDJIC-YJNKXOJESA-N 2 1 352.441 3.215 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000894188475 742250742 /nfs/dbraw/zinc/25/07/42/742250742.db2.gz ZBJLDUHTINISDD-HUUCEWRRSA-N 2 1 356.388 3.208 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000894188475 742250747 /nfs/dbraw/zinc/25/07/47/742250747.db2.gz ZBJLDUHTINISDD-HUUCEWRRSA-N 2 1 356.388 3.208 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894260404 742259339 /nfs/dbraw/zinc/25/93/39/742259339.db2.gz MGYSXQOTGOQEAU-AWEZNQCLSA-N 2 1 353.919 3.276 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C(F)(F)F ZINC000894742260 742325851 /nfs/dbraw/zinc/32/58/51/742325851.db2.gz AVDDFEWYNFDRJD-NDZFUPFFSA-N 2 1 362.436 3.112 20 0 FGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@H]1C[C@@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734474 743880196 /nfs/dbraw/zinc/88/01/96/743880196.db2.gz RLSMFQVUXIQGBG-JRBPQWBISA-N 2 1 364.555 3.185 20 0 FGADMP FC(F)(F)c1ccnc([C@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903827848 743886693 /nfs/dbraw/zinc/88/66/93/743886693.db2.gz YRQASJYZJCTQKR-WIGRTHMWSA-N 2 1 354.420 3.205 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000948388555 762328271 /nfs/dbraw/zinc/32/82/71/762328271.db2.gz IVSRLBSVNJQEBV-CEXWTWQISA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948388555 762328285 /nfs/dbraw/zinc/32/82/85/762328285.db2.gz IVSRLBSVNJQEBV-CEXWTWQISA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948388555 762328292 /nfs/dbraw/zinc/32/82/92/762328292.db2.gz IVSRLBSVNJQEBV-CEXWTWQISA-N 2 1 351.579 3.466 20 0 FGADMP Cc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000919718952 758466395 /nfs/dbraw/zinc/46/63/95/758466395.db2.gz KNEIKRFEZXIHSI-UHFFFAOYSA-N 2 1 355.511 3.259 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C2 ZINC000922387728 758909544 /nfs/dbraw/zinc/90/95/44/758909544.db2.gz AKEFHBFQDJDJNI-WPNHUXKJSA-N 2 1 350.453 3.047 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390072 758910260 /nfs/dbraw/zinc/91/02/60/758910260.db2.gz XEKMQWTZGUCNLP-BDXSIMOUSA-N 2 1 367.331 3.018 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCOCC3)s1 ZINC000923033151 759054104 /nfs/dbraw/zinc/05/41/04/759054104.db2.gz COWDTHXSHWUODF-JKSUJKDBSA-N 2 1 367.559 3.047 20 0 FGADMP [NH3+]C[C@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372007 759106866 /nfs/dbraw/zinc/10/68/66/759106866.db2.gz DWICHGGKMVAQFR-HOCLYGCPSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000923480861 759128187 /nfs/dbraw/zinc/12/81/87/759128187.db2.gz KUTBQNDKRIOHJL-CYBMUJFWSA-N 2 1 361.287 3.077 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501933 759133632 /nfs/dbraw/zinc/13/36/32/759133632.db2.gz XGUQEUOWDMVDER-BZUAXINKSA-N 2 1 364.559 3.114 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000924698470 759373387 /nfs/dbraw/zinc/37/33/87/759373387.db2.gz ZNRDOAZLIOIJAE-JKIFEVAISA-N 2 1 350.304 3.438 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCC2 ZINC000924698470 759373396 /nfs/dbraw/zinc/37/33/96/759373396.db2.gz ZNRDOAZLIOIJAE-JKIFEVAISA-N 2 1 350.304 3.438 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3[C@@H](C)COC[C@@H]3C)CC2)cs1 ZINC000925032297 759433666 /nfs/dbraw/zinc/43/36/66/759433666.db2.gz ULZCPTDJVUOEPH-GJZGRUSLSA-N 2 1 351.560 3.178 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000925139237 759454244 /nfs/dbraw/zinc/45/42/44/759454244.db2.gz FQFZJAIUQXYPQW-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000925139237 759454248 /nfs/dbraw/zinc/45/42/48/759454248.db2.gz FQFZJAIUQXYPQW-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925776880 759534481 /nfs/dbraw/zinc/53/44/81/759534481.db2.gz NHWMIIQXYIIMNA-LMDPOFIKSA-N 2 1 351.485 3.264 20 0 FGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CNCCC2(F)F)CC1 ZINC000925776880 759534487 /nfs/dbraw/zinc/53/44/87/759534487.db2.gz NHWMIIQXYIIMNA-LMDPOFIKSA-N 2 1 351.485 3.264 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CNCCC2(F)F)CC1 ZINC000925776880 759534492 /nfs/dbraw/zinc/53/44/92/759534492.db2.gz NHWMIIQXYIIMNA-LMDPOFIKSA-N 2 1 351.485 3.264 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000926332399 759718790 /nfs/dbraw/zinc/71/87/90/759718790.db2.gz XONOPNWTIMKCET-FOIPXRHGSA-N 2 1 359.480 3.398 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)CS(C)(=O)=O)CC1 ZINC000926954922 759858889 /nfs/dbraw/zinc/85/88/89/759858889.db2.gz HWRWXXULKVODAI-UHFFFAOYSA-N 2 1 360.608 3.326 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848037 760469419 /nfs/dbraw/zinc/46/94/19/760469419.db2.gz OWHPNQSHPYIRBY-VSZNYVQBSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848037 760469427 /nfs/dbraw/zinc/46/94/27/760469427.db2.gz OWHPNQSHPYIRBY-VSZNYVQBSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000929848037 760469434 /nfs/dbraw/zinc/46/94/34/760469434.db2.gz OWHPNQSHPYIRBY-VSZNYVQBSA-N 2 1 351.535 3.096 20 0 FGADMP CCCC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034115 760760910 /nfs/dbraw/zinc/76/09/10/760760910.db2.gz ODEAVZATIQHJPJ-MRXNPFEDSA-N 2 1 358.592 3.223 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@](C)(CO)c1cccc(Br)c1 ZINC000934497634 761638461 /nfs/dbraw/zinc/63/84/61/761638461.db2.gz WXOIFKMELPONAI-QGZVFWFLSA-N 2 1 366.303 3.232 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2sccc2Cl)CC[N@@H+]1C ZINC000960639396 762736681 /nfs/dbraw/zinc/73/66/81/762736681.db2.gz BFUNTTJLZSVJRB-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2sccc2Cl)CC[N@H+]1C ZINC000960639396 762736683 /nfs/dbraw/zinc/73/66/83/762736683.db2.gz BFUNTTJLZSVJRB-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000960639396 762736687 /nfs/dbraw/zinc/73/66/87/762736687.db2.gz BFUNTTJLZSVJRB-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2sccc2Cl)CC[NH+]1C ZINC000960639396 762736690 /nfs/dbraw/zinc/73/66/90/762736690.db2.gz BFUNTTJLZSVJRB-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP Cc1cc(C[NH+]2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587770 763032945 /nfs/dbraw/zinc/03/29/45/763032945.db2.gz MESJJZGTOCTPTE-ZTFGCOKTSA-N 2 1 363.571 3.032 20 0 FGADMP Cc1cc(C[N@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587770 763032952 /nfs/dbraw/zinc/03/29/52/763032952.db2.gz MESJJZGTOCTPTE-ZTFGCOKTSA-N 2 1 363.571 3.032 20 0 FGADMP Cc1cc(C[N@@H+]2C[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587770 763032960 /nfs/dbraw/zinc/03/29/60/763032960.db2.gz MESJJZGTOCTPTE-ZTFGCOKTSA-N 2 1 363.571 3.032 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC000983705695 763659398 /nfs/dbraw/zinc/65/93/98/763659398.db2.gz ZKGKZYHHUIWWQX-CQAXQDJESA-N 2 1 363.933 3.226 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000998792235 765124054 /nfs/dbraw/zinc/12/40/54/765124054.db2.gz WGYIIVQHNCBPAS-BXNZUYAZSA-N 2 1 363.933 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000999199557 765145903 /nfs/dbraw/zinc/14/59/03/765145903.db2.gz IJOIIDMJQJFLRC-VNQPRFMTSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@H+]1C ZINC001018868018 765846904 /nfs/dbraw/zinc/84/69/04/765846904.db2.gz ZACWYQUCENTAEF-VHDGCEQUSA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@H+]1C ZINC001022107508 765973985 /nfs/dbraw/zinc/97/39/85/765973985.db2.gz XWDIALLGAZCRBD-ZSYWTGECSA-N 2 1 363.933 3.116 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001026854431 766082642 /nfs/dbraw/zinc/08/26/42/766082642.db2.gz BHSUJYNISBOFTH-OFQRWUPVSA-N 2 1 369.962 3.070 20 0 FGADMP Cc1cc(C[NH2+][C@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100580 766142109 /nfs/dbraw/zinc/14/21/09/766142109.db2.gz CMMOIAXAONRSBD-GPMSIDNRSA-N 2 1 363.571 3.113 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001033834927 766223159 /nfs/dbraw/zinc/22/31/59/766223159.db2.gz UNZKDGSOFUELPE-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001033834927 766223163 /nfs/dbraw/zinc/22/31/63/766223163.db2.gz UNZKDGSOFUELPE-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC001033834927 766223165 /nfs/dbraw/zinc/22/31/65/766223165.db2.gz UNZKDGSOFUELPE-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC001033834927 766223179 /nfs/dbraw/zinc/22/31/79/766223179.db2.gz UNZKDGSOFUELPE-QLFBSQMISA-N 2 1 369.962 3.165 20 0 FGADMP Cc1cccc(Cl)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001034940080 766250494 /nfs/dbraw/zinc/25/04/94/766250494.db2.gz WMSVVGSPXOBZFT-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@H]3C2)cc1 ZINC000359894291 210196212 /nfs/dbraw/zinc/19/62/12/210196212.db2.gz FWDOPMPJIZPLKO-SPHOGXRMSA-N 2 1 370.537 3.215 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000102421869 257350883 /nfs/dbraw/zinc/35/08/83/257350883.db2.gz SFESDXLGVJJLJE-ZDUSSCGKSA-N 2 1 363.299 3.299 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829896 503962637 /nfs/dbraw/zinc/96/26/37/503962637.db2.gz CCOUEXUAHVOLJL-QHAWAJNXSA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829896 503962641 /nfs/dbraw/zinc/96/26/41/503962641.db2.gz CCOUEXUAHVOLJL-QHAWAJNXSA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829896 503962648 /nfs/dbraw/zinc/96/26/48/503962648.db2.gz CCOUEXUAHVOLJL-QHAWAJNXSA-N 2 1 370.541 3.138 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161334 503694679 /nfs/dbraw/zinc/69/46/79/503694679.db2.gz SQIOAZUVPPABDG-BHDDXSALSA-N 2 1 370.537 3.356 20 0 FGADMP CCc1cnccc1[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000573624332 505581348 /nfs/dbraw/zinc/58/13/48/505581348.db2.gz PUNXWPLSTJVDIV-QGZVFWFLSA-N 2 1 372.557 3.018 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000573645650 505586056 /nfs/dbraw/zinc/58/60/56/505586056.db2.gz JNBHHSPPJRCMDX-KDURUIRLSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000573645650 505586062 /nfs/dbraw/zinc/58/60/62/505586062.db2.gz JNBHHSPPJRCMDX-KDURUIRLSA-N 2 1 360.542 3.394 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567973421 505586808 /nfs/dbraw/zinc/58/68/08/505586808.db2.gz CGNUVCYZWKKTKR-IBGZPJMESA-N 2 1 352.482 3.042 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567977262 505587824 /nfs/dbraw/zinc/58/78/24/505587824.db2.gz LEQAPFDGLCLHIB-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567977262 505587828 /nfs/dbraw/zinc/58/78/28/505587828.db2.gz LEQAPFDGLCLHIB-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567977262 505587829 /nfs/dbraw/zinc/58/78/29/505587829.db2.gz LEQAPFDGLCLHIB-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1 ZINC000567982438 505590077 /nfs/dbraw/zinc/59/00/77/505590077.db2.gz ZRNRGRJQILRAHS-OAQYLSRUSA-N 2 1 366.509 3.100 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1 ZINC000567982438 505590079 /nfs/dbraw/zinc/59/00/79/505590079.db2.gz ZRNRGRJQILRAHS-OAQYLSRUSA-N 2 1 366.509 3.100 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000567982802 505590136 /nfs/dbraw/zinc/59/01/36/505590136.db2.gz RRNCUDJBCDSJLO-SFHLNBCPSA-N 2 1 373.516 3.028 20 0 FGADMP CCCCNC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567995588 505592882 /nfs/dbraw/zinc/59/28/82/505592882.db2.gz PGCYCFLATFVUCO-KRWDZBQOSA-N 2 1 351.560 3.117 20 0 FGADMP CCCCNC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567995588 505592884 /nfs/dbraw/zinc/59/28/84/505592884.db2.gz PGCYCFLATFVUCO-KRWDZBQOSA-N 2 1 351.560 3.117 20 0 FGADMP CCCCNC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567995588 505592887 /nfs/dbraw/zinc/59/28/87/505592887.db2.gz PGCYCFLATFVUCO-KRWDZBQOSA-N 2 1 351.560 3.117 20 0 FGADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870890 505599376 /nfs/dbraw/zinc/59/93/76/505599376.db2.gz PXLXDPQQLRUHDD-TZIWHRDSSA-N 2 1 360.542 3.318 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C[C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746176 505610000 /nfs/dbraw/zinc/61/00/00/505610000.db2.gz PSJKFYPVVHFULD-WOJBJXKFSA-N 2 1 360.567 3.258 20 0 FGADMP COc1cccc(C[C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000579735501 505610635 /nfs/dbraw/zinc/61/06/35/505610635.db2.gz BOTCFVMQEVPVPY-OAQYLSRUSA-N 2 1 359.558 3.118 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000579946936 505650869 /nfs/dbraw/zinc/65/08/69/505650869.db2.gz HUVGXHYILICZDB-CJNGLKHVSA-N 2 1 355.404 3.040 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCc4cncn4C3)cc2)C1 ZINC000577066442 505656610 /nfs/dbraw/zinc/65/66/10/505656610.db2.gz SKFAYYDXLXMCHU-FUHWJXTLSA-N 2 1 352.482 3.316 20 0 FGADMP Cc1[nH+]cc(CNc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)n1C ZINC000573982232 505666103 /nfs/dbraw/zinc/66/61/03/505666103.db2.gz LJHREOHHGYWLQG-UHFFFAOYSA-N 2 1 355.486 3.155 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075768627 493776569 /nfs/dbraw/zinc/77/65/69/493776569.db2.gz UXIOPJMGQJDCCY-SFTDATJTSA-N 2 1 355.526 3.163 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000076013229 493809744 /nfs/dbraw/zinc/80/97/44/493809744.db2.gz BQWVTQYTJMIBPJ-UHFFFAOYSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000568386999 505682634 /nfs/dbraw/zinc/68/26/34/505682634.db2.gz JTMLYGGFTLZOPF-FUHIMQAGSA-N 2 1 359.514 3.253 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076109697 493823862 /nfs/dbraw/zinc/82/38/62/493823862.db2.gz RFAMXQOPLBGVRM-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076109697 493823863 /nfs/dbraw/zinc/82/38/63/493823863.db2.gz RFAMXQOPLBGVRM-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076109697 493823865 /nfs/dbraw/zinc/82/38/65/493823865.db2.gz RFAMXQOPLBGVRM-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076109697 493823866 /nfs/dbraw/zinc/82/38/66/493823866.db2.gz RFAMXQOPLBGVRM-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(CC[NH+](C)C)cc3)CC2)[nH+]c1 ZINC000076158399 493834099 /nfs/dbraw/zinc/83/40/99/493834099.db2.gz FJRRWEDNBWQRFM-UHFFFAOYSA-N 2 1 366.509 3.349 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081363205 493879585 /nfs/dbraw/zinc/87/95/85/493879585.db2.gz CMJCKYBNVOAYPS-LEWJYISDSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081363205 493879586 /nfs/dbraw/zinc/87/95/86/493879586.db2.gz CMJCKYBNVOAYPS-LEWJYISDSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081363205 493879589 /nfs/dbraw/zinc/87/95/89/493879589.db2.gz CMJCKYBNVOAYPS-LEWJYISDSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000081363206 493879678 /nfs/dbraw/zinc/87/96/78/493879678.db2.gz CMJCKYBNVOAYPS-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000081363206 493879680 /nfs/dbraw/zinc/87/96/80/493879680.db2.gz CMJCKYBNVOAYPS-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081363206 493879683 /nfs/dbraw/zinc/87/96/83/493879683.db2.gz CMJCKYBNVOAYPS-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000049976166 493888699 /nfs/dbraw/zinc/88/86/99/493888699.db2.gz CTZRTPGEFWXUEK-QFIPXVFZSA-N 2 1 363.505 3.287 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)c2)CC1 ZINC000081422060 493890433 /nfs/dbraw/zinc/89/04/33/493890433.db2.gz PAOCMNNAZHVWLT-QZTJIDSGSA-N 2 1 373.541 3.355 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000050025590 493892372 /nfs/dbraw/zinc/89/23/72/493892372.db2.gz QEPKWNJDPSFMRW-JOCHJYFZSA-N 2 1 365.521 3.277 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000051158530 493952008 /nfs/dbraw/zinc/95/20/08/493952008.db2.gz HDSVXERECRISFH-HDICACEKSA-N 2 1 357.542 3.054 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069298951 493952213 /nfs/dbraw/zinc/95/22/13/493952213.db2.gz GEIRWNHWLVLMRB-ROUUACIJSA-N 2 1 360.546 3.145 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(N)ccc2F)CC1 ZINC000083172581 494002618 /nfs/dbraw/zinc/00/26/18/494002618.db2.gz MQBXZNCMZMDPFR-UHFFFAOYSA-N 2 1 364.509 3.180 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000608061197 506403004 /nfs/dbraw/zinc/40/30/04/506403004.db2.gz GCKDFHPAJCUNGT-TZMCWYRMSA-N 2 1 371.319 3.429 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2csc(C)n2)cc1OC ZINC000069750085 494006833 /nfs/dbraw/zinc/00/68/33/494006833.db2.gz ABJZDJKNGNUXHA-UHFFFAOYSA-N 2 1 363.527 3.471 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000608061197 506403005 /nfs/dbraw/zinc/40/30/05/506403005.db2.gz GCKDFHPAJCUNGT-TZMCWYRMSA-N 2 1 371.319 3.429 20 0 FGADMP Cc1ccc2nc(C[N@@H+](C)C3CCN(c4cc(C)[nH+]c(C)n4)CC3)cn2c1 ZINC000084087013 494047881 /nfs/dbraw/zinc/04/78/81/494047881.db2.gz KOEYLMFBFJQOIU-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP Cc1ccc2nc(C[N@H+](C)C3CCN(c4cc(C)[nH+]c(C)n4)CC3)cn2c1 ZINC000084087013 494047882 /nfs/dbraw/zinc/04/78/82/494047882.db2.gz KOEYLMFBFJQOIU-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000052711792 494056128 /nfs/dbraw/zinc/05/61/28/494056128.db2.gz ODGIAODOEVMBLV-OAQYLSRUSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000063749472 494082961 /nfs/dbraw/zinc/08/29/61/494082961.db2.gz HXZWZRULYHDNTP-OALUTQOASA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295148 505701146 /nfs/dbraw/zinc/70/11/46/505701146.db2.gz PTXXUFOJMHYANS-SUMWQHHRSA-N 2 1 352.404 3.262 20 0 FGADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295148 505701147 /nfs/dbraw/zinc/70/11/47/505701147.db2.gz PTXXUFOJMHYANS-SUMWQHHRSA-N 2 1 352.404 3.262 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000086284562 494147760 /nfs/dbraw/zinc/14/77/60/494147760.db2.gz BURLAVNDDHRDLF-AEFFLSMTSA-N 2 1 369.513 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000086284562 494147763 /nfs/dbraw/zinc/14/77/63/494147763.db2.gz BURLAVNDDHRDLF-AEFFLSMTSA-N 2 1 369.513 3.271 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000571308420 505703763 /nfs/dbraw/zinc/70/37/63/505703763.db2.gz KIKZZCTTXFTMNL-ZPMCFJSWSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000571308420 505703765 /nfs/dbraw/zinc/70/37/65/505703765.db2.gz KIKZZCTTXFTMNL-ZPMCFJSWSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000054718513 494264711 /nfs/dbraw/zinc/26/47/11/494264711.db2.gz QSNDCBHNSSJSAD-NEWSRXKRSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000054718513 494264716 /nfs/dbraw/zinc/26/47/16/494264716.db2.gz QSNDCBHNSSJSAD-NEWSRXKRSA-N 2 1 370.497 3.017 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868307 494271235 /nfs/dbraw/zinc/27/12/35/494271235.db2.gz ACRRAHNSKHPBMW-FQEVSTJZSA-N 2 1 352.478 3.412 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868307 494271238 /nfs/dbraw/zinc/27/12/38/494271238.db2.gz ACRRAHNSKHPBMW-FQEVSTJZSA-N 2 1 352.478 3.412 20 0 FGADMP C[NH+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868307 494271243 /nfs/dbraw/zinc/27/12/43/494271243.db2.gz ACRRAHNSKHPBMW-FQEVSTJZSA-N 2 1 352.478 3.412 20 0 FGADMP C[NH+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868307 494271247 /nfs/dbraw/zinc/27/12/47/494271247.db2.gz ACRRAHNSKHPBMW-FQEVSTJZSA-N 2 1 352.478 3.412 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043239469 494279106 /nfs/dbraw/zinc/27/91/06/494279106.db2.gz QEAXDUZDOYZYHZ-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000089549310 494324202 /nfs/dbraw/zinc/32/42/02/494324202.db2.gz QJVKHPSZVVVPBG-SMOSDQRPSA-N 2 1 365.949 3.032 20 0 FGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000580250753 505713518 /nfs/dbraw/zinc/71/35/18/505713518.db2.gz NOAHFRFHIPMUPF-ICSRJNTNSA-N 3 1 361.599 3.457 20 0 FGADMP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000580250753 505713520 /nfs/dbraw/zinc/71/35/20/505713520.db2.gz NOAHFRFHIPMUPF-ICSRJNTNSA-N 2 1 361.599 3.457 20 0 FGADMP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000044276722 494346534 /nfs/dbraw/zinc/34/65/34/494346534.db2.gz ZDQCHWFJHJWHCO-QGZVFWFLSA-N 2 1 366.509 3.317 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000073428383 494369520 /nfs/dbraw/zinc/36/95/20/494369520.db2.gz NOUMBLVUZZGDNE-IBGZPJMESA-N 2 1 372.557 3.212 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000577385448 505717853 /nfs/dbraw/zinc/71/78/53/505717853.db2.gz JPZSXOYWHCODQK-DYVFJYSZSA-N 2 1 355.404 3.040 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000073596682 494396092 /nfs/dbraw/zinc/39/60/92/494396092.db2.gz UWQRYGPRUVYNAE-XVLXNVKGSA-N 2 1 352.567 3.057 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(F)cc1 ZINC000073617540 494399971 /nfs/dbraw/zinc/39/99/71/494399971.db2.gz WIVKCCKPKVHBMN-UTKZUKDTSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000073617540 494399974 /nfs/dbraw/zinc/39/99/74/494399974.db2.gz WIVKCCKPKVHBMN-UTKZUKDTSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617540 494399976 /nfs/dbraw/zinc/39/99/76/494399976.db2.gz WIVKCCKPKVHBMN-UTKZUKDTSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617540 494399978 /nfs/dbraw/zinc/39/99/78/494399978.db2.gz WIVKCCKPKVHBMN-UTKZUKDTSA-N 2 1 369.484 3.037 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000073676684 494411791 /nfs/dbraw/zinc/41/17/91/494411791.db2.gz GVDQZSURFPMACX-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1cc(F)ccc1-c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000571392231 505722263 /nfs/dbraw/zinc/72/22/63/505722263.db2.gz PODHHKPRWQYMSA-UHFFFAOYSA-N 2 1 359.489 3.463 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000073895171 494444396 /nfs/dbraw/zinc/44/43/96/494444396.db2.gz RJRLOZCLNXLONF-FQEVSTJZSA-N 2 1 356.510 3.384 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000073895171 494444399 /nfs/dbraw/zinc/44/43/99/494444399.db2.gz RJRLOZCLNXLONF-FQEVSTJZSA-N 2 1 356.510 3.384 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000079393013 494446013 /nfs/dbraw/zinc/44/60/13/494446013.db2.gz HJXGSGSMTZTNPJ-PMACEKPBSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000079393013 494446016 /nfs/dbraw/zinc/44/60/16/494446016.db2.gz HJXGSGSMTZTNPJ-PMACEKPBSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000079393013 494446021 /nfs/dbraw/zinc/44/60/21/494446021.db2.gz HJXGSGSMTZTNPJ-PMACEKPBSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000067005501 494454197 /nfs/dbraw/zinc/45/41/97/494454197.db2.gz KGFIFYNUYCHIFG-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000067005501 494454200 /nfs/dbraw/zinc/45/42/00/494454200.db2.gz KGFIFYNUYCHIFG-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000067005501 494454205 /nfs/dbraw/zinc/45/42/05/494454205.db2.gz KGFIFYNUYCHIFG-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c(OC)c1 ZINC000090523349 494478023 /nfs/dbraw/zinc/47/80/23/494478023.db2.gz HMBVFTYKUDHHOH-YSGRDPCXSA-N 2 1 362.514 3.122 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000090542732 494480331 /nfs/dbraw/zinc/48/03/31/494480331.db2.gz WZUPHWVVZIQRGN-NHCUHLMSSA-N 2 1 360.567 3.338 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000090586820 494484180 /nfs/dbraw/zinc/48/41/80/494484180.db2.gz KHBHYXKJAJPMFV-DLBZAZTESA-N 2 1 367.559 3.077 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000079613191 494493365 /nfs/dbraw/zinc/49/33/65/494493365.db2.gz MRMWWKHHEYPZHL-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000079613191 494493370 /nfs/dbraw/zinc/49/33/70/494493370.db2.gz MRMWWKHHEYPZHL-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000079613191 494493374 /nfs/dbraw/zinc/49/33/74/494493374.db2.gz MRMWWKHHEYPZHL-IBGZPJMESA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000074249918 494504170 /nfs/dbraw/zinc/50/41/70/494504170.db2.gz SNNOPSIHCWDUHU-KRWDZBQOSA-N 2 1 374.554 3.487 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000074249918 494504173 /nfs/dbraw/zinc/50/41/73/494504173.db2.gz SNNOPSIHCWDUHU-KRWDZBQOSA-N 2 1 374.554 3.487 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+][C@@H]2CCCSC2)c1)C1CCOCC1 ZINC000131374160 494598046 /nfs/dbraw/zinc/59/80/46/494598046.db2.gz GZIQITHGDQSYGQ-GOSISDBHSA-N 2 1 364.555 3.161 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(-c3ccsc3)s2)CC1 ZINC000121116874 494603861 /nfs/dbraw/zinc/60/38/61/494603861.db2.gz XFQGMHGSTUCUBK-AWEZNQCLSA-N 2 1 365.568 3.396 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000126011065 494606583 /nfs/dbraw/zinc/60/65/83/494606583.db2.gz VSQTXPFAVZOXCB-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000126011065 494606593 /nfs/dbraw/zinc/60/65/93/494606593.db2.gz VSQTXPFAVZOXCB-SFHVURJKSA-N 2 1 355.486 3.026 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107833829 494608495 /nfs/dbraw/zinc/60/84/95/494608495.db2.gz NJWDBKBTVHVSFV-PMACEKPBSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080166308 494621498 /nfs/dbraw/zinc/62/14/98/494621498.db2.gz UKGPJZURCCXTCV-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000080166308 494621508 /nfs/dbraw/zinc/62/15/08/494621508.db2.gz UKGPJZURCCXTCV-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000080166308 494621518 /nfs/dbraw/zinc/62/15/18/494621518.db2.gz UKGPJZURCCXTCV-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785779 494622239 /nfs/dbraw/zinc/62/22/39/494622239.db2.gz QKZQWNJTUUNPFB-QUCCMNQESA-N 2 1 360.546 3.053 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000057041769 494628160 /nfs/dbraw/zinc/62/81/60/494628160.db2.gz BFHHBNQCQORUDK-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)c(F)c1 ZINC000131502106 494640233 /nfs/dbraw/zinc/64/02/33/494640233.db2.gz ARFBRROFUNSGMC-UKRRQHHQSA-N 2 1 373.310 3.476 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000075007468 494672295 /nfs/dbraw/zinc/67/22/95/494672295.db2.gz GTIYFWGXVCJHFV-SFHVURJKSA-N 2 1 361.530 3.145 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000075007804 494672532 /nfs/dbraw/zinc/67/25/32/494672532.db2.gz WXOJYYXMPYQVFN-UHFFFAOYSA-N 2 1 372.513 3.368 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000092587809 494679666 /nfs/dbraw/zinc/67/96/66/494679666.db2.gz XYZXMDFSJXUJPN-FQEVSTJZSA-N 2 1 353.514 3.211 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000092587809 494679675 /nfs/dbraw/zinc/67/96/75/494679675.db2.gz XYZXMDFSJXUJPN-FQEVSTJZSA-N 2 1 353.514 3.211 20 0 FGADMP COc1ccc(OC)c([C@@H](C)NCc2ccc(-n3ccnc3C)nc2)c1 ZINC000126316185 494705411 /nfs/dbraw/zinc/70/54/11/494705411.db2.gz HUZSYIFMHSYDBM-CQSZACIVSA-N 2 1 352.438 3.444 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000080665376 494761934 /nfs/dbraw/zinc/76/19/34/494761934.db2.gz KIMCGVFZCKEQGP-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000080665376 494761936 /nfs/dbraw/zinc/76/19/36/494761936.db2.gz KIMCGVFZCKEQGP-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000080665376 494761939 /nfs/dbraw/zinc/76/19/39/494761939.db2.gz KIMCGVFZCKEQGP-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000108711153 494768000 /nfs/dbraw/zinc/76/80/00/494768000.db2.gz CKIUYNFUQPOWFU-VXKWHMMOSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000108711153 494768009 /nfs/dbraw/zinc/76/80/09/494768009.db2.gz CKIUYNFUQPOWFU-VXKWHMMOSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000108711153 494768016 /nfs/dbraw/zinc/76/80/16/494768016.db2.gz CKIUYNFUQPOWFU-VXKWHMMOSA-N 2 1 363.505 3.042 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000080717903 494776626 /nfs/dbraw/zinc/77/66/26/494776626.db2.gz VCMJDXYYZZWTLB-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)CC1 ZINC000092072475 494777987 /nfs/dbraw/zinc/77/79/87/494777987.db2.gz QCUQSVBPSZSKPZ-FQEVSTJZSA-N 2 1 367.541 3.321 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126635618 494806553 /nfs/dbraw/zinc/80/65/53/494806553.db2.gz HSYPYXWGLMPLNW-MRXNPFEDSA-N 2 1 364.497 3.392 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000121572686 494807218 /nfs/dbraw/zinc/80/72/18/494807218.db2.gz PXSGGUYLASFOMK-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000121572686 494807226 /nfs/dbraw/zinc/80/72/26/494807226.db2.gz PXSGGUYLASFOMK-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000121572686 494807234 /nfs/dbraw/zinc/80/72/34/494807234.db2.gz PXSGGUYLASFOMK-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126877147 494854388 /nfs/dbraw/zinc/85/43/88/494854388.db2.gz BNYMPYKKRHRYSD-IRXDYDNUSA-N 2 1 351.560 3.197 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126877147 494854391 /nfs/dbraw/zinc/85/43/91/494854391.db2.gz BNYMPYKKRHRYSD-IRXDYDNUSA-N 2 1 351.560 3.197 20 0 FGADMP CCc1ccc(C2=CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000093263235 494854654 /nfs/dbraw/zinc/85/46/54/494854654.db2.gz QQTOXKBBKFSXEI-UHFFFAOYSA-N 2 1 369.553 3.327 20 0 FGADMP CCc1ccc(C2=CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000093263235 494854657 /nfs/dbraw/zinc/85/46/57/494854657.db2.gz QQTOXKBBKFSXEI-UHFFFAOYSA-N 2 1 369.553 3.327 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000093278399 494857379 /nfs/dbraw/zinc/85/73/79/494857379.db2.gz TXPHAVRABCBKTC-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](N2CCCC2=O)C1 ZINC000093278399 494857383 /nfs/dbraw/zinc/85/73/83/494857383.db2.gz TXPHAVRABCBKTC-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000093278399 494857384 /nfs/dbraw/zinc/85/73/84/494857384.db2.gz TXPHAVRABCBKTC-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000093278399 494857387 /nfs/dbraw/zinc/85/73/87/494857387.db2.gz TXPHAVRABCBKTC-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP COc1ccc([C@@H]2C[C@@H](C)C[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862785 494877456 /nfs/dbraw/zinc/87/74/56/494877456.db2.gz COOWSOXVQGEHNZ-UTKZUKDTSA-N 2 1 373.541 3.067 20 0 FGADMP Cc1cc(NC[C@]2([NH+]3CCOCC3)CCSC2)c2cc(F)ccc2[nH+]1 ZINC000121942841 494896327 /nfs/dbraw/zinc/89/63/27/494896327.db2.gz QKLUSCGTVBHMFE-LJQANCHMSA-N 2 1 361.486 3.302 20 0 FGADMP Cn1cc(C[C@H]2CC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000093870360 494930113 /nfs/dbraw/zinc/93/01/13/494930113.db2.gz VZUNNTKQPHSHSP-HXUWFJFHSA-N 2 1 354.542 3.443 20 0 FGADMP Cn1cc(C[C@H]2CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000093870360 494930117 /nfs/dbraw/zinc/93/01/17/494930117.db2.gz VZUNNTKQPHSHSP-HXUWFJFHSA-N 2 1 354.542 3.443 20 0 FGADMP Cn1cc(C[C@H]2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000093870360 494930118 /nfs/dbraw/zinc/93/01/18/494930118.db2.gz VZUNNTKQPHSHSP-HXUWFJFHSA-N 2 1 354.542 3.443 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000127370009 494935505 /nfs/dbraw/zinc/93/55/05/494935505.db2.gz MLXTTWLSSZSKBS-MSOLQXFVSA-N 2 1 354.583 3.020 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(C)c(OC)c2C)CC1 ZINC000122216907 494941771 /nfs/dbraw/zinc/94/17/71/494941771.db2.gz HGKBWUANSGWFST-UHFFFAOYSA-N 2 1 363.546 3.277 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000118868315 495051465 /nfs/dbraw/zinc/05/14/65/495051465.db2.gz MHUPEWMGCPDUMG-UHFFFAOYSA-N 2 1 373.570 3.316 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548279 505759290 /nfs/dbraw/zinc/75/92/90/505759290.db2.gz SLNHWFCTMJYFJS-MOPGFXCFSA-N 2 1 355.482 3.101 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548279 505759293 /nfs/dbraw/zinc/75/92/93/505759293.db2.gz SLNHWFCTMJYFJS-MOPGFXCFSA-N 2 1 355.482 3.101 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000128303075 495076007 /nfs/dbraw/zinc/07/60/07/495076007.db2.gz JEQVRXKEUOBWSA-AABGKKOBSA-N 2 1 366.594 3.115 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551441 505760167 /nfs/dbraw/zinc/76/01/67/505760167.db2.gz MXNGRDIKADRQCO-FUHWJXTLSA-N 2 1 358.448 3.319 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1F ZINC000134110459 495107002 /nfs/dbraw/zinc/10/70/02/495107002.db2.gz DGJBBXIQRLGRJY-INIZCTEOSA-N 2 1 350.482 3.014 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123327197 495115077 /nfs/dbraw/zinc/11/50/77/495115077.db2.gz RDYBNAUZJWDOAB-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123327197 495115079 /nfs/dbraw/zinc/11/50/79/495115079.db2.gz RDYBNAUZJWDOAB-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123327197 495115081 /nfs/dbraw/zinc/11/50/81/495115081.db2.gz RDYBNAUZJWDOAB-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123327197 495115083 /nfs/dbraw/zinc/11/50/83/495115083.db2.gz RDYBNAUZJWDOAB-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H](CC)CN1CC[C@@H]1CCC[NH+]1C ZINC000129009545 495182192 /nfs/dbraw/zinc/18/21/92/495182192.db2.gz BBWFLGFVSFADLT-CZYKHXBRSA-N 3 1 364.622 3.130 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H](CC)CN1CC[C@@H]1CCC[NH+]1C ZINC000129009545 495182196 /nfs/dbraw/zinc/18/21/96/495182196.db2.gz BBWFLGFVSFADLT-CZYKHXBRSA-N 3 1 364.622 3.130 20 0 FGADMP CC[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H](CC)CN1CC[C@@H]1CCC[NH+]1C ZINC000129009545 495182198 /nfs/dbraw/zinc/18/21/98/495182198.db2.gz BBWFLGFVSFADLT-CZYKHXBRSA-N 3 1 364.622 3.130 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000124203236 495250135 /nfs/dbraw/zinc/25/01/35/495250135.db2.gz CWHJBTGINGTWGG-UHFFFAOYSA-N 2 1 372.538 3.412 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)CCC1CCOCC1)C1CC[NH+](C)CC1 ZINC000129665595 495277934 /nfs/dbraw/zinc/27/79/34/495277934.db2.gz PXWSAVKTBWTGNN-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000124490372 495295559 /nfs/dbraw/zinc/29/55/59/495295559.db2.gz ZADBRXCQZFOWDS-UHFFFAOYSA-N 2 1 368.319 3.240 20 0 FGADMP Cc1ccc(-c2nc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cs2)cc1 ZINC000113336930 495298042 /nfs/dbraw/zinc/29/80/42/495298042.db2.gz TYHBZBBICQQIHG-UHFFFAOYSA-N 2 1 358.555 3.236 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000136190270 495362823 /nfs/dbraw/zinc/36/28/23/495362823.db2.gz BXIVBCBEPQMEHN-UHFFFAOYSA-N 2 1 363.933 3.025 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000130397932 495386713 /nfs/dbraw/zinc/38/67/13/495386713.db2.gz KMSCBNPFDPMDHX-HXUWFJFHSA-N 2 1 356.514 3.417 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](CC(C)C)c1ccccc1 ZINC000130397932 495386716 /nfs/dbraw/zinc/38/67/16/495386716.db2.gz KMSCBNPFDPMDHX-HXUWFJFHSA-N 2 1 356.514 3.417 20 0 FGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120531827 495399371 /nfs/dbraw/zinc/39/93/71/495399371.db2.gz NBIMJWIDBLZUCN-FQEVSTJZSA-N 2 1 357.542 3.073 20 0 FGADMP CCC[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CC1 ZINC000114724106 495416621 /nfs/dbraw/zinc/41/66/21/495416621.db2.gz GGNNCSCPEXJDDJ-UHFFFAOYSA-N 2 1 361.555 3.296 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000137932548 495453746 /nfs/dbraw/zinc/45/37/46/495453746.db2.gz YRTHHHTZGQRJLC-KRWDZBQOSA-N 2 1 361.530 3.187 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000130838353 495454010 /nfs/dbraw/zinc/45/40/10/495454010.db2.gz MQTYVSWZTIGDKB-UHFFFAOYSA-N 2 1 353.470 3.026 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(OCc2nccn2C)cc1 ZINC000130838353 495454014 /nfs/dbraw/zinc/45/40/14/495454014.db2.gz MQTYVSWZTIGDKB-UHFFFAOYSA-N 2 1 353.470 3.026 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCc2ccccn2)CC1 ZINC000120782655 495456993 /nfs/dbraw/zinc/45/69/93/495456993.db2.gz WIHYMEHVPJTWKO-UHFFFAOYSA-N 2 1 352.526 3.288 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000130900338 495462808 /nfs/dbraw/zinc/46/28/08/495462808.db2.gz HQEBCRIEKJWZBI-HNNXBMFYSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000130900338 495462813 /nfs/dbraw/zinc/46/28/13/495462813.db2.gz HQEBCRIEKJWZBI-HNNXBMFYSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000130952789 495471354 /nfs/dbraw/zinc/47/13/54/495471354.db2.gz HZBLBPUBUBCMPI-ZDUSSCGKSA-N 2 1 366.412 3.142 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000130952789 495471359 /nfs/dbraw/zinc/47/13/59/495471359.db2.gz HZBLBPUBUBCMPI-ZDUSSCGKSA-N 2 1 366.412 3.142 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)C[C@H]1c1ccccc1 ZINC000577748461 505784987 /nfs/dbraw/zinc/78/49/87/505784987.db2.gz ZATDCJVMILXAKP-ANULTFPQSA-N 2 1 355.526 3.345 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)C[C@H]1c1ccccc1 ZINC000577748461 505784989 /nfs/dbraw/zinc/78/49/89/505784989.db2.gz ZATDCJVMILXAKP-ANULTFPQSA-N 2 1 355.526 3.345 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc(OC)c1OC ZINC000131191684 495503927 /nfs/dbraw/zinc/50/39/27/495503927.db2.gz UIDMPNYHWSMCEZ-HNNXBMFYSA-N 2 1 350.503 3.483 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125882223 495513280 /nfs/dbraw/zinc/51/32/80/495513280.db2.gz SZYKVTYWHKUQAT-SJORKVTESA-N 2 1 367.559 3.219 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528322 495528528 /nfs/dbraw/zinc/52/85/28/495528528.db2.gz LDXNMQYVUMPWRJ-SFTDATJTSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000158591968 495545016 /nfs/dbraw/zinc/54/50/16/495545016.db2.gz KTSSBQWHEWWVSC-LILSUDLASA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000158591968 495545019 /nfs/dbraw/zinc/54/50/19/495545019.db2.gz KTSSBQWHEWWVSC-LILSUDLASA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000158591968 495545022 /nfs/dbraw/zinc/54/50/22/495545022.db2.gz KTSSBQWHEWWVSC-LILSUDLASA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000158591968 495545026 /nfs/dbraw/zinc/54/50/26/495545026.db2.gz KTSSBQWHEWWVSC-LILSUDLASA-N 2 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000158591968 495545029 /nfs/dbraw/zinc/54/50/29/495545029.db2.gz KTSSBQWHEWWVSC-LILSUDLASA-N 2 1 365.606 3.224 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173561452 495589059 /nfs/dbraw/zinc/58/90/59/495589059.db2.gz DWXIFLWGKHIVEZ-XLIONFOSSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000154380807 495598699 /nfs/dbraw/zinc/59/86/99/495598699.db2.gz RSWMDZVOUISXQS-FQEVSTJZSA-N 2 1 359.514 3.110 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(C)ccc2Cl)[C@H](C)C1 ZINC000182528604 495600463 /nfs/dbraw/zinc/60/04/63/495600463.db2.gz GYOUCOSJILTXAZ-RYRKJORJSA-N 2 1 354.922 3.050 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)[C@H](C)C1 ZINC000182528604 495600468 /nfs/dbraw/zinc/60/04/68/495600468.db2.gz GYOUCOSJILTXAZ-RYRKJORJSA-N 2 1 354.922 3.050 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)[C@H](C)C1 ZINC000182528604 495600471 /nfs/dbraw/zinc/60/04/71/495600471.db2.gz GYOUCOSJILTXAZ-RYRKJORJSA-N 2 1 354.922 3.050 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618863 495617698 /nfs/dbraw/zinc/61/76/98/495617698.db2.gz SQZKPFNKEMHJMJ-CABCVRRESA-N 2 1 351.922 3.368 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182671725 495657619 /nfs/dbraw/zinc/65/76/19/495657619.db2.gz OHWYUTZGUNOYDG-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP COC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000182683610 495663741 /nfs/dbraw/zinc/66/37/41/495663741.db2.gz MQODGQZFZSBWOJ-IBGZPJMESA-N 2 1 364.436 3.383 20 0 FGADMP C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680626 495677377 /nfs/dbraw/zinc/67/73/77/495677377.db2.gz BVOAFKKAHKCWBR-IAGOWNOFSA-N 2 1 360.498 3.427 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000154629345 495677413 /nfs/dbraw/zinc/67/74/13/495677413.db2.gz MPAHTIYHRDNKKW-YLJYHZDGSA-N 2 1 370.541 3.097 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176571793 495704849 /nfs/dbraw/zinc/70/48/49/495704849.db2.gz CLIIRWFWFGKLMN-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000151108355 495739820 /nfs/dbraw/zinc/73/98/20/495739820.db2.gz PHAQXIQQUOYUNJ-ZWKOTPCHSA-N 2 1 356.514 3.382 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000173946165 495757750 /nfs/dbraw/zinc/75/77/50/495757750.db2.gz XZOGTOPHPUCCOY-IBGZPJMESA-N 2 1 373.541 3.207 20 0 FGADMP c1coc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)c1 ZINC000173947636 495757900 /nfs/dbraw/zinc/75/79/00/495757900.db2.gz BNMZXMSZHCFTDR-UHFFFAOYSA-N 2 1 361.511 3.480 20 0 FGADMP COc1ccccc1NC(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977048 495771398 /nfs/dbraw/zinc/77/13/98/495771398.db2.gz WJXQPOJADSFCTJ-IBGZPJMESA-N 2 1 367.493 3.088 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000179903385 495776744 /nfs/dbraw/zinc/77/67/44/495776744.db2.gz VKAVMJYPGBTMQU-JSGCOSHPSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1C ZINC000179903385 495776750 /nfs/dbraw/zinc/77/67/50/495776750.db2.gz VKAVMJYPGBTMQU-JSGCOSHPSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903385 495776751 /nfs/dbraw/zinc/77/67/51/495776751.db2.gz VKAVMJYPGBTMQU-JSGCOSHPSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903385 495776755 /nfs/dbraw/zinc/77/67/55/495776755.db2.gz VKAVMJYPGBTMQU-JSGCOSHPSA-N 2 1 369.303 3.135 20 0 FGADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000154998365 495798865 /nfs/dbraw/zinc/79/88/65/495798865.db2.gz NFVSAWDBLQTWPI-FQEVSTJZSA-N 2 1 361.505 3.153 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000174111753 495825039 /nfs/dbraw/zinc/82/50/39/495825039.db2.gz ZXNGFAURSWDAPC-OAQYLSRUSA-N 2 1 357.542 3.137 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139556 495850994 /nfs/dbraw/zinc/85/09/94/495850994.db2.gz JBKLOUHWICZRSH-VJBWXMMDSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@H]1C[NH+](CCCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316180 495907049 /nfs/dbraw/zinc/90/70/49/495907049.db2.gz OCIUQOPRYIFGRP-PMACEKPBSA-N 3 1 359.558 3.130 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOCC2(CCOCC2)C1 ZINC000183272855 495910423 /nfs/dbraw/zinc/91/04/23/495910423.db2.gz BEGVFMVZGZUCNQ-UHFFFAOYSA-N 2 1 360.542 3.274 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOCC2(CCOCC2)C1 ZINC000183272855 495910429 /nfs/dbraw/zinc/91/04/29/495910429.db2.gz BEGVFMVZGZUCNQ-UHFFFAOYSA-N 2 1 360.542 3.274 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000183272855 495910436 /nfs/dbraw/zinc/91/04/36/495910436.db2.gz BEGVFMVZGZUCNQ-UHFFFAOYSA-N 2 1 360.542 3.274 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCOCC2(CCOCC2)C1 ZINC000183272855 495910443 /nfs/dbraw/zinc/91/04/43/495910443.db2.gz BEGVFMVZGZUCNQ-UHFFFAOYSA-N 2 1 360.542 3.274 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCCC[C@H]([NH+]4CCCC4)C3)CC2)[nH+]c1 ZINC000171583079 495935709 /nfs/dbraw/zinc/93/57/09/495935709.db2.gz DVEJTCJQVMGAMZ-FQEVSTJZSA-N 2 1 370.541 3.083 20 0 FGADMP COCCNC(=O)[C@H](CC(C)C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183341120 495938672 /nfs/dbraw/zinc/93/86/72/495938672.db2.gz QSZRVWZMVLVSJR-UZLBHIALSA-N 2 1 372.513 3.009 20 0 FGADMP C[N@H+]1CCC[C@@H](CNCc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422536 495952352 /nfs/dbraw/zinc/95/23/52/495952352.db2.gz MFEMGYRPWJGQFF-YJBOKZPZSA-N 2 1 352.906 3.329 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422536 495952359 /nfs/dbraw/zinc/95/23/59/495952359.db2.gz MFEMGYRPWJGQFF-YJBOKZPZSA-N 2 1 352.906 3.329 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174422536 495952365 /nfs/dbraw/zinc/95/23/65/495952365.db2.gz MFEMGYRPWJGQFF-YJBOKZPZSA-N 2 1 352.906 3.329 20 0 FGADMP COc1ccc(-c2noc([C@@H](C)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)n2)cc1 ZINC000152176221 496069450 /nfs/dbraw/zinc/06/94/50/496069450.db2.gz OSYCQXJWVYNRON-QGPMSJSTSA-N 2 1 356.470 3.222 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177483209 496079518 /nfs/dbraw/zinc/07/95/18/496079518.db2.gz YVIRHWMHJLYMJE-OTWHNJEPSA-N 2 1 373.541 3.225 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000152243234 496092475 /nfs/dbraw/zinc/09/24/75/496092475.db2.gz PHPLBYHUZRWRIN-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000177521661 496096316 /nfs/dbraw/zinc/09/63/16/496096316.db2.gz YRYGEGXKHJGBOU-OYRHEFFESA-N 2 1 369.553 3.198 20 0 FGADMP CC[C@@H](C(=O)N1CCC(C[NH+](CC)CC)CC1)[N@@H+](C)Cc1ccccc1 ZINC000574645616 505822937 /nfs/dbraw/zinc/82/29/37/505822937.db2.gz ANIDINQSTCLJHO-NRFANRHFSA-N 2 1 359.558 3.477 20 0 FGADMP CCc1noc(C2CCC([NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000183747070 496101846 /nfs/dbraw/zinc/10/18/46/496101846.db2.gz URYVKSFQRFXDRD-OQSMONGASA-N 2 1 364.534 3.137 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000155985128 496125073 /nfs/dbraw/zinc/12/50/73/496125073.db2.gz XEOFXNLOWHFYKB-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600614 496126793 /nfs/dbraw/zinc/12/67/93/496126793.db2.gz DUAQIQZILNMYBO-XLIONFOSSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000156223819 496191881 /nfs/dbraw/zinc/19/18/81/496191881.db2.gz HTLQUSXUILEQOS-ZWKOTPCHSA-N 2 1 364.497 3.224 20 0 FGADMP C[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000156223648 496192061 /nfs/dbraw/zinc/19/20/61/496192061.db2.gz HTLQUSXUILEQOS-ROUUACIJSA-N 2 1 364.497 3.224 20 0 FGADMP C[C@H](c1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1)[NH+]1CCOCC1 ZINC000156265854 496201566 /nfs/dbraw/zinc/20/15/66/496201566.db2.gz OGXNZKSHFZDURH-QGZVFWFLSA-N 2 1 367.493 3.394 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156287709 496206793 /nfs/dbraw/zinc/20/67/93/496206793.db2.gz RDALGCVXFLAXPH-SFHLNBCPSA-N 2 1 374.573 3.411 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccc(Cl)cc1F ZINC000156312891 496212389 /nfs/dbraw/zinc/21/23/89/496212389.db2.gz VQSRQLJSPIXOCV-OAHLLOKOSA-N 2 1 363.820 3.356 20 0 FGADMP Clc1cnn2cc(CC[NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)cnc12 ZINC000580768034 505833635 /nfs/dbraw/zinc/83/36/35/505833635.db2.gz JGKAWXHWPDLBBG-WMZOPIPTSA-N 2 1 355.873 3.008 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178075578 496318160 /nfs/dbraw/zinc/31/81/60/496318160.db2.gz QOWMSJDRMPUPQJ-MJGOQNOKSA-N 2 1 359.514 3.187 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172542551 496336242 /nfs/dbraw/zinc/33/62/42/496336242.db2.gz HQVZQXCZISVYLE-RTBURBONSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H](C)[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000184328699 496337123 /nfs/dbraw/zinc/33/71/23/496337123.db2.gz AQRRNGMKLOOEKN-QGZVKYPTSA-N 2 1 351.579 3.464 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000181279509 496337953 /nfs/dbraw/zinc/33/79/53/496337953.db2.gz DIIFDLLYJHIVGN-ZIFCJYIRSA-N 2 1 361.530 3.115 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000175327903 496340420 /nfs/dbraw/zinc/34/04/20/496340420.db2.gz LTUUREQTPBJLGY-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000181348966 496362597 /nfs/dbraw/zinc/36/25/97/496362597.db2.gz XVGIDGCSTIRONA-LVCYWYKZSA-N 2 1 351.494 3.116 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187474849 496457418 /nfs/dbraw/zinc/45/74/18/496457418.db2.gz HHBAEKFGIDIMMO-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2Cl)[C@H](C)C1 ZINC000181652971 496488788 /nfs/dbraw/zinc/48/87/88/496488788.db2.gz TYKJOGXDPAKYLF-SJLPKXTDSA-N 2 1 354.922 3.445 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000157499807 496490469 /nfs/dbraw/zinc/49/04/69/496490469.db2.gz RJHHBWWSSZEGQF-QGZVFWFLSA-N 2 1 371.529 3.169 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634113 496518744 /nfs/dbraw/zinc/51/87/44/496518744.db2.gz JTTNMAQZZZKFDI-QGZVFWFLSA-N 2 1 364.559 3.288 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2ccccc2)cc1 ZINC000178653555 496529949 /nfs/dbraw/zinc/52/99/49/496529949.db2.gz OIFAOTUPEJTXHH-JTSKRJEESA-N 2 1 365.477 3.409 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178697295 496544651 /nfs/dbraw/zinc/54/46/51/496544651.db2.gz SEYJOBGCNUIQES-LSDHHAIUSA-N 2 1 355.486 3.462 20 0 FGADMP C[C@H](CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000184844588 496554341 /nfs/dbraw/zinc/55/43/41/496554341.db2.gz MOUJSFBHVYUQDB-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CCOCC1 ZINC000187771111 496565449 /nfs/dbraw/zinc/56/54/49/496565449.db2.gz VKZQIVYWIPLPBM-AVRDEDQJSA-N 2 1 360.542 3.450 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000157852383 496569733 /nfs/dbraw/zinc/56/97/33/496569733.db2.gz XFEWNWLBFYDVOA-INIZCTEOSA-N 2 1 362.477 3.434 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]C(C2CC2)C2CC2)c1)C1CCOCC1 ZINC000163946227 496573298 /nfs/dbraw/zinc/57/32/98/496573298.db2.gz BNACAJIEHCPBKY-UHFFFAOYSA-N 2 1 358.526 3.454 20 0 FGADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc(C)c1O ZINC000574777142 505853043 /nfs/dbraw/zinc/85/30/43/505853043.db2.gz HPFNXHGWFXDYSK-GOSISDBHSA-N 2 1 359.539 3.149 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)[C@@H]1c1cccs1 ZINC000178816539 496581886 /nfs/dbraw/zinc/58/18/86/496581886.db2.gz YDVQGKHRZROMCK-LSTHTHJFSA-N 2 1 369.534 3.134 20 0 FGADMP CC(C)(C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000164102473 496586645 /nfs/dbraw/zinc/58/66/45/496586645.db2.gz IDCANTLFMWBNFN-MRXNPFEDSA-N 2 1 371.447 3.113 20 0 FGADMP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953276 505853931 /nfs/dbraw/zinc/85/39/31/505853931.db2.gz OILQMCWWBMJPIC-IEBWSBKVSA-N 2 1 365.587 3.457 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000184985911 496611999 /nfs/dbraw/zinc/61/19/99/496611999.db2.gz ULFUGNHZZVMAAR-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000164948033 496641454 /nfs/dbraw/zinc/64/14/54/496641454.db2.gz VKFGXQNYVZWOBT-YADHBBJMSA-N 2 1 365.521 3.420 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCCS2 ZINC000187994147 496644804 /nfs/dbraw/zinc/64/48/04/496644804.db2.gz IEBRPLBJDMBGOI-VQIMIIECSA-N 2 1 364.555 3.449 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3C)CC2)CC1 ZINC000569119679 505857928 /nfs/dbraw/zinc/85/79/28/505857928.db2.gz XAPFTIWEQRKIQU-UHFFFAOYSA-N 2 1 365.468 3.408 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176064852 496667840 /nfs/dbraw/zinc/66/78/40/496667840.db2.gz YZLWASOXTKFKMD-NRFANRHFSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176064852 496667847 /nfs/dbraw/zinc/66/78/47/496667847.db2.gz YZLWASOXTKFKMD-NRFANRHFSA-N 2 1 373.516 3.171 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969248 496674416 /nfs/dbraw/zinc/67/44/16/496674416.db2.gz FFEJLGMDGBTYBZ-SJBKTWHCSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969248 496674419 /nfs/dbraw/zinc/67/44/19/496674419.db2.gz FFEJLGMDGBTYBZ-SJBKTWHCSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969248 496674425 /nfs/dbraw/zinc/67/44/25/496674425.db2.gz FFEJLGMDGBTYBZ-SJBKTWHCSA-N 2 1 357.542 3.439 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000166001208 496675787 /nfs/dbraw/zinc/67/57/87/496675787.db2.gz IEAKPUYBNOTRKI-NRFANRHFSA-N 2 1 351.494 3.030 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173428332 496688728 /nfs/dbraw/zinc/68/87/28/496688728.db2.gz NUSNKCQUQCNNCH-QAPCUYQASA-N 2 1 366.937 3.068 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000167542469 496702139 /nfs/dbraw/zinc/70/21/39/496702139.db2.gz MHZNEGNRDOVNAB-VLQCVTHLSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000167681382 496705432 /nfs/dbraw/zinc/70/54/32/496705432.db2.gz YXVAJBQVYVUITC-IRXDYDNUSA-N 2 1 359.514 3.044 20 0 FGADMP Cc1ccccc1C(C)(C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000179232264 496717659 /nfs/dbraw/zinc/71/76/59/496717659.db2.gz OOEMPXCTEMRXDV-YOFSQIOKSA-N 2 1 369.553 3.042 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000578105448 505862097 /nfs/dbraw/zinc/86/20/97/505862097.db2.gz CFMSXOYAEQZLFR-UGKGYDQZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578105448 505862099 /nfs/dbraw/zinc/86/20/99/505862099.db2.gz CFMSXOYAEQZLFR-UGKGYDQZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000578105448 505862101 /nfs/dbraw/zinc/86/21/01/505862101.db2.gz CFMSXOYAEQZLFR-UGKGYDQZSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182352066 496730967 /nfs/dbraw/zinc/73/09/67/496730967.db2.gz DSTWPSHZINTRRL-CUWPLCDZSA-N 2 1 372.557 3.242 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000273183991 496733834 /nfs/dbraw/zinc/73/38/34/496733834.db2.gz HAAHBWVRYWFBPD-NRFANRHFSA-N 2 1 357.542 3.089 20 0 FGADMP CCCCCOc1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)ccc1OC ZINC000263892233 496755694 /nfs/dbraw/zinc/75/56/94/496755694.db2.gz ODVXPPFBLNKFHQ-UHFFFAOYSA-N 2 1 364.530 3.201 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000247026627 496756455 /nfs/dbraw/zinc/75/64/55/496756455.db2.gz QZEIAVZXWDWHOD-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000247026627 496756457 /nfs/dbraw/zinc/75/64/57/496756457.db2.gz QZEIAVZXWDWHOD-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000247026627 496756461 /nfs/dbraw/zinc/75/64/61/496756461.db2.gz QZEIAVZXWDWHOD-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C[C@H]1C ZINC000574835232 505864702 /nfs/dbraw/zinc/86/47/02/505864702.db2.gz BLCFLOULYFEXIL-RMVXJAJNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C[C@H]1C ZINC000574835232 505864704 /nfs/dbraw/zinc/86/47/04/505864704.db2.gz BLCFLOULYFEXIL-RMVXJAJNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C[C@H]1C ZINC000574835232 505864706 /nfs/dbraw/zinc/86/47/06/505864706.db2.gz BLCFLOULYFEXIL-RMVXJAJNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073756 496770817 /nfs/dbraw/zinc/77/08/17/496770817.db2.gz OKLGWEJNJRVBAI-HZPDHXFCSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000247077561 496771975 /nfs/dbraw/zinc/77/19/75/496771975.db2.gz XKGPYQXXPHNIQX-HLIPFELVSA-N 2 1 370.541 3.136 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000268772821 496779538 /nfs/dbraw/zinc/77/95/38/496779538.db2.gz AFROWPPROVURAK-OAHLLOKOSA-N 2 1 362.905 3.262 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774335 496780984 /nfs/dbraw/zinc/78/09/84/496780984.db2.gz RCZPPBLMGVIICR-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774335 496780991 /nfs/dbraw/zinc/78/09/91/496780991.db2.gz RCZPPBLMGVIICR-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000191510840 496791162 /nfs/dbraw/zinc/79/11/62/496791162.db2.gz OHDNNBVUHGQWDW-INIZCTEOSA-N 2 1 360.477 3.002 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccccc1F ZINC000191510840 496791169 /nfs/dbraw/zinc/79/11/69/496791169.db2.gz OHDNNBVUHGQWDW-INIZCTEOSA-N 2 1 360.477 3.002 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140816 496791258 /nfs/dbraw/zinc/79/12/58/496791258.db2.gz SILJVOLGSNXUBW-JTHBVZDNSA-N 3 1 372.601 3.217 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@@H](C)C1 ZINC000247140816 496791262 /nfs/dbraw/zinc/79/12/62/496791262.db2.gz SILJVOLGSNXUBW-JTHBVZDNSA-N 2 1 372.601 3.217 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000268814958 496793218 /nfs/dbraw/zinc/79/32/18/496793218.db2.gz NFRZMRPEXJRZCM-GFCCVEGCSA-N 2 1 354.376 3.217 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000268853465 496804524 /nfs/dbraw/zinc/80/45/24/496804524.db2.gz KZWUDTSITHOSST-OAHLLOKOSA-N 2 1 350.260 3.458 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000247214979 496806649 /nfs/dbraw/zinc/80/66/49/496806649.db2.gz COAKPZYJQALCCQ-RXVVDRJESA-N 2 1 357.542 3.234 20 0 FGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247248691 496815585 /nfs/dbraw/zinc/81/55/85/496815585.db2.gz YFFNUJACTHANBG-MOXWOTFGSA-N 2 1 359.558 3.380 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000268891721 496816643 /nfs/dbraw/zinc/81/66/43/496816643.db2.gz ZEQFAYGPRPNMKO-QGZVFWFLSA-N 2 1 358.530 3.078 20 0 FGADMP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000191594281 496825060 /nfs/dbraw/zinc/82/50/60/496825060.db2.gz MJBKJFMGEKPMIT-QHCPKHFHSA-N 2 1 352.522 3.195 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247294241 496827333 /nfs/dbraw/zinc/82/73/33/496827333.db2.gz FKONCEPPNUSPAP-SJORKVTESA-N 2 1 352.906 3.030 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247294241 496827337 /nfs/dbraw/zinc/82/73/37/496827337.db2.gz FKONCEPPNUSPAP-SJORKVTESA-N 2 1 352.906 3.030 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247524530 496880043 /nfs/dbraw/zinc/88/00/43/496880043.db2.gz NSCDVPQRLVXZPM-PZJWPPBQSA-N 2 1 372.484 3.019 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247950092 496931222 /nfs/dbraw/zinc/93/12/22/496931222.db2.gz DYOUAWCECVXPMO-DOTOQJQBSA-N 2 1 360.889 3.349 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247950092 496931223 /nfs/dbraw/zinc/93/12/23/496931223.db2.gz DYOUAWCECVXPMO-DOTOQJQBSA-N 2 1 360.889 3.349 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982195 496937980 /nfs/dbraw/zinc/93/79/80/496937980.db2.gz ILXCTYRNMXNZBL-PZJWPPBQSA-N 2 1 367.493 3.126 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982195 496937987 /nfs/dbraw/zinc/93/79/87/496937987.db2.gz ILXCTYRNMXNZBL-PZJWPPBQSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982195 496937990 /nfs/dbraw/zinc/93/79/90/496937990.db2.gz ILXCTYRNMXNZBL-PZJWPPBQSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982195 496937997 /nfs/dbraw/zinc/93/79/97/496937997.db2.gz ILXCTYRNMXNZBL-PZJWPPBQSA-N 2 1 367.493 3.126 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035659 496945445 /nfs/dbraw/zinc/94/54/45/496945445.db2.gz LCPSMYLBQVKGAY-NHCUHLMSSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H](NCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248044538 496947147 /nfs/dbraw/zinc/94/71/47/496947147.db2.gz UNNYWSLGNPTHHE-LSDHHAIUSA-N 2 1 356.507 3.144 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000248120106 496956391 /nfs/dbraw/zinc/95/63/91/496956391.db2.gz NGAIEBOSQKBQRO-ZIWZYBDVSA-N 2 1 366.571 3.212 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)[nH+]c1 ZINC000248151128 496964736 /nfs/dbraw/zinc/96/47/36/496964736.db2.gz QUDRFFYMBHCKJE-DENIHFKCSA-N 2 1 364.537 3.469 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163810 496966848 /nfs/dbraw/zinc/96/68/48/496966848.db2.gz SPEPYVMIKCFLEO-HMXCVIKNSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163810 496966856 /nfs/dbraw/zinc/96/68/56/496966856.db2.gz SPEPYVMIKCFLEO-HMXCVIKNSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163810 496966860 /nfs/dbraw/zinc/96/68/60/496966860.db2.gz SPEPYVMIKCFLEO-HMXCVIKNSA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163810 496966867 /nfs/dbraw/zinc/96/68/67/496966867.db2.gz SPEPYVMIKCFLEO-HMXCVIKNSA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163810 496966873 /nfs/dbraw/zinc/96/68/73/496966873.db2.gz SPEPYVMIKCFLEO-HMXCVIKNSA-N 2 1 373.516 3.123 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248217402 496973608 /nfs/dbraw/zinc/97/36/08/496973608.db2.gz ZWJJSIKSZPROHZ-ZIBCJSCZSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248217402 496973614 /nfs/dbraw/zinc/97/36/14/496973614.db2.gz ZWJJSIKSZPROHZ-ZIBCJSCZSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248217402 496973619 /nfs/dbraw/zinc/97/36/19/496973619.db2.gz ZWJJSIKSZPROHZ-ZIBCJSCZSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248217402 496973625 /nfs/dbraw/zinc/97/36/25/496973625.db2.gz ZWJJSIKSZPROHZ-ZIBCJSCZSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000192062258 496982369 /nfs/dbraw/zinc/98/23/69/496982369.db2.gz DEWCIDZNWBRELE-IHPCNDPISA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000192062258 496982373 /nfs/dbraw/zinc/98/23/73/496982373.db2.gz DEWCIDZNWBRELE-IHPCNDPISA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062258 496982377 /nfs/dbraw/zinc/98/23/77/496982377.db2.gz DEWCIDZNWBRELE-IHPCNDPISA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062258 496982384 /nfs/dbraw/zinc/98/23/84/496982384.db2.gz DEWCIDZNWBRELE-IHPCNDPISA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248393900 496992802 /nfs/dbraw/zinc/99/28/02/496992802.db2.gz FEPDYGVGYXKXEY-HCXYKTFWSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393900 496992806 /nfs/dbraw/zinc/99/28/06/496992806.db2.gz FEPDYGVGYXKXEY-HCXYKTFWSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393900 496992812 /nfs/dbraw/zinc/99/28/12/496992812.db2.gz FEPDYGVGYXKXEY-HCXYKTFWSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000248403911 496998688 /nfs/dbraw/zinc/99/86/88/496998688.db2.gz ZGZXUQVWLNKSNL-MOJGAOKDSA-N 2 1 365.521 3.396 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000248403911 496998694 /nfs/dbraw/zinc/99/86/94/496998694.db2.gz ZGZXUQVWLNKSNL-MOJGAOKDSA-N 2 1 365.521 3.396 20 0 FGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccco1 ZINC000248412953 497002650 /nfs/dbraw/zinc/00/26/50/497002650.db2.gz KLENGEUVPGBRHN-PLACYPQZSA-N 2 1 353.510 3.383 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC34CCCC4)c2)C1 ZINC000189117845 497014003 /nfs/dbraw/zinc/01/40/03/497014003.db2.gz QVLYGMXRCFMLEL-WOJBJXKFSA-N 2 1 355.526 3.196 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000221566234 497019897 /nfs/dbraw/zinc/01/98/97/497019897.db2.gz NTJSLGRUSCUKRW-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248605525 497054532 /nfs/dbraw/zinc/05/45/32/497054532.db2.gz WELCGGRTYVMQNK-HBFSDRIKSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000248605525 497054539 /nfs/dbraw/zinc/05/45/39/497054539.db2.gz WELCGGRTYVMQNK-HBFSDRIKSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000248605525 497054543 /nfs/dbraw/zinc/05/45/43/497054543.db2.gz WELCGGRTYVMQNK-HBFSDRIKSA-N 2 1 357.542 3.242 20 0 FGADMP Cn1c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000248729048 497090376 /nfs/dbraw/zinc/09/03/76/497090376.db2.gz IVKJNBFTGBRPOB-RDJZCZTQSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000248729048 497090382 /nfs/dbraw/zinc/09/03/82/497090382.db2.gz IVKJNBFTGBRPOB-RDJZCZTQSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2sc1=O ZINC000248729048 497090386 /nfs/dbraw/zinc/09/03/86/497090386.db2.gz IVKJNBFTGBRPOB-RDJZCZTQSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2sc1=O ZINC000248729048 497090390 /nfs/dbraw/zinc/09/03/90/497090390.db2.gz IVKJNBFTGBRPOB-RDJZCZTQSA-N 2 1 357.523 3.049 20 0 FGADMP CC[C@H](C)[N@H+](C)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000248729555 497090619 /nfs/dbraw/zinc/09/06/19/497090619.db2.gz OBLCRRBHVGLZMB-ZYSHUDEJSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000248729555 497090621 /nfs/dbraw/zinc/09/06/21/497090621.db2.gz OBLCRRBHVGLZMB-ZYSHUDEJSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000248729555 497090625 /nfs/dbraw/zinc/09/06/25/497090625.db2.gz OBLCRRBHVGLZMB-ZYSHUDEJSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000248729555 497090631 /nfs/dbraw/zinc/09/06/31/497090631.db2.gz OBLCRRBHVGLZMB-ZYSHUDEJSA-N 2 1 353.938 3.032 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823535 497110116 /nfs/dbraw/zinc/11/01/16/497110116.db2.gz FNXXPVCGDHHJEG-GPJHCHHRSA-N 2 1 350.506 3.375 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000248826256 497111945 /nfs/dbraw/zinc/11/19/45/497111945.db2.gz LYOYPMLDEKPKHI-QFBILLFUSA-N 2 1 372.557 3.115 20 0 FGADMP CC(C)C[C@@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1 ZINC000236649534 497126843 /nfs/dbraw/zinc/12/68/43/497126843.db2.gz DQYIFSOWYHAVLS-FPOVZHCZSA-N 2 1 368.525 3.086 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000236655728 497127286 /nfs/dbraw/zinc/12/72/86/497127286.db2.gz JVHHXNAUPSUKOE-OAQYLSRUSA-N 2 1 351.494 3.030 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000236674595 497131444 /nfs/dbraw/zinc/13/14/44/497131444.db2.gz YJAOAENXKVQARD-NRFANRHFSA-N 2 1 365.521 3.348 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000236858918 497157699 /nfs/dbraw/zinc/15/76/99/497157699.db2.gz WNBFGZMFYDORHW-ZDUSSCGKSA-N 2 1 357.420 3.496 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000270597155 497157745 /nfs/dbraw/zinc/15/77/45/497157745.db2.gz GFJHWLQEPMYFBQ-UHFFFAOYSA-N 2 1 350.470 3.246 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236895331 497164831 /nfs/dbraw/zinc/16/48/31/497164831.db2.gz KDQXLOSWWIULOJ-PBHICJAKSA-N 2 1 371.447 3.113 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236895331 497164832 /nfs/dbraw/zinc/16/48/32/497164832.db2.gz KDQXLOSWWIULOJ-PBHICJAKSA-N 2 1 371.447 3.113 20 0 FGADMP Cc1ccc(N2CCC([NH2+]Cc3ccc4c(c3)sc(=O)n4C)CC2)[nH+]c1 ZINC000192630549 497168715 /nfs/dbraw/zinc/16/87/15/497168715.db2.gz GKCQCKORRXSCHN-UHFFFAOYSA-N 2 1 368.506 3.062 20 0 FGADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265727428 497169642 /nfs/dbraw/zinc/16/96/42/497169642.db2.gz PHOTVTXZVRSPFB-UHFFFAOYSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cccs1 ZINC000274817346 497174718 /nfs/dbraw/zinc/17/47/18/497174718.db2.gz JBHRSOWDULGABM-ZIFCJYIRSA-N 2 1 371.550 3.426 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cccs1 ZINC000274817346 497174723 /nfs/dbraw/zinc/17/47/23/497174723.db2.gz JBHRSOWDULGABM-ZIFCJYIRSA-N 2 1 371.550 3.426 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866799 497186522 /nfs/dbraw/zinc/18/65/22/497186522.db2.gz DZQRWJGZMZKCRB-CEWLAPEOSA-N 2 1 350.510 3.161 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000249377419 497195722 /nfs/dbraw/zinc/19/57/22/497195722.db2.gz YVTVJQATZMHCEW-SFTDATJTSA-N 2 1 351.494 3.243 20 0 FGADMP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905875 497195943 /nfs/dbraw/zinc/19/59/43/497195943.db2.gz MDWWYBIXORAJJE-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000237348482 497224745 /nfs/dbraw/zinc/22/47/45/497224745.db2.gz NFDLILWUAAVMQZ-GCJKJVERSA-N 2 1 365.521 3.420 20 0 FGADMP COc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249581611 497224734 /nfs/dbraw/zinc/22/47/34/497224734.db2.gz NMFIGQMFXOCXHU-KNQAVFIVSA-N 2 1 366.505 3.429 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014604 497232212 /nfs/dbraw/zinc/23/22/12/497232212.db2.gz UJSBQLHMCRVREE-WIYYLYMNSA-N 2 1 357.542 3.087 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000237473883 497242580 /nfs/dbraw/zinc/24/25/80/497242580.db2.gz QBPUGNKAMVCPPT-HSCHXYMDSA-N 2 1 352.482 3.279 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117394 505894197 /nfs/dbraw/zinc/89/41/97/505894197.db2.gz HPXRXBAAPUHKRO-SFTDATJTSA-N 2 1 357.542 3.379 20 0 FGADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(=O)C1CC1 ZINC000271036890 497250960 /nfs/dbraw/zinc/25/09/60/497250960.db2.gz JVMMIXWFPIHCMM-UHFFFAOYSA-N 2 1 360.498 3.315 20 0 FGADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1OC(=O)C1CC1 ZINC000271036890 497250965 /nfs/dbraw/zinc/25/09/65/497250965.db2.gz JVMMIXWFPIHCMM-UHFFFAOYSA-N 2 1 360.498 3.315 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000192932300 497251505 /nfs/dbraw/zinc/25/15/05/497251505.db2.gz PPIVNXDJUPEKDD-LJQANCHMSA-N 2 1 361.493 3.094 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000251720180 497283251 /nfs/dbraw/zinc/28/32/51/497283251.db2.gz LMNWPUAMYMLKAY-SYYKKAFVSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000251720180 497283257 /nfs/dbraw/zinc/28/32/57/497283257.db2.gz LMNWPUAMYMLKAY-SYYKKAFVSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279030736 497310005 /nfs/dbraw/zinc/31/00/05/497310005.db2.gz WCGSBVIIWSAJKW-HOTGVXAUSA-N 2 1 355.486 3.326 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000252652477 497315155 /nfs/dbraw/zinc/31/51/55/497315155.db2.gz QQEYOFYHWJIZRU-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252652477 497315160 /nfs/dbraw/zinc/31/51/60/497315160.db2.gz QQEYOFYHWJIZRU-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000252652477 497315162 /nfs/dbraw/zinc/31/51/62/497315162.db2.gz QQEYOFYHWJIZRU-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423354 497320728 /nfs/dbraw/zinc/32/07/28/497320728.db2.gz DRZUUWFXSGDAFR-KVJIRVJXSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423354 497320732 /nfs/dbraw/zinc/32/07/32/497320732.db2.gz DRZUUWFXSGDAFR-KVJIRVJXSA-N 2 1 368.525 3.283 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245399541 497385312 /nfs/dbraw/zinc/38/53/12/497385312.db2.gz ALSUTSUMDGYXDH-MOPGFXCFSA-N 2 1 374.573 3.400 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275634692 497389286 /nfs/dbraw/zinc/38/92/86/497389286.db2.gz SOFBXTPQUQGEQK-VMXMFDLUSA-N 2 1 368.525 3.376 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275634692 497389290 /nfs/dbraw/zinc/38/92/90/497389290.db2.gz SOFBXTPQUQGEQK-VMXMFDLUSA-N 2 1 368.525 3.376 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275634740 497389349 /nfs/dbraw/zinc/38/93/49/497389349.db2.gz SOQJGFDZTQLUAH-HZPDHXFCSA-N 2 1 374.916 3.126 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH+](CC)CC1 ZINC000266694603 497399867 /nfs/dbraw/zinc/39/98/67/497399867.db2.gz MRVGEHDABSWORW-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000578285216 505904234 /nfs/dbraw/zinc/90/42/34/505904234.db2.gz ZNYURRZWQLKKTG-BAGYTPMASA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000578285216 505904237 /nfs/dbraw/zinc/90/42/37/505904237.db2.gz ZNYURRZWQLKKTG-BAGYTPMASA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000578285216 505904241 /nfs/dbraw/zinc/90/42/41/505904241.db2.gz ZNYURRZWQLKKTG-BAGYTPMASA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(C)C ZINC000578285216 505904244 /nfs/dbraw/zinc/90/42/44/505904244.db2.gz ZNYURRZWQLKKTG-BAGYTPMASA-N 2 1 371.569 3.474 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434737 497403851 /nfs/dbraw/zinc/40/38/51/497403851.db2.gz QAQBYAASUUUQFJ-GUYCJALGSA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434737 497403855 /nfs/dbraw/zinc/40/38/55/497403855.db2.gz QAQBYAASUUUQFJ-GUYCJALGSA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@@H](C)C1 ZINC000245434737 497403860 /nfs/dbraw/zinc/40/38/60/497403860.db2.gz QAQBYAASUUUQFJ-GUYCJALGSA-N 2 1 355.885 3.470 20 0 FGADMP C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585065 497416051 /nfs/dbraw/zinc/41/60/51/497416051.db2.gz IFYJXGGEBCJGFN-YYWHXJBOSA-N 2 1 357.542 3.311 20 0 FGADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)CCc2cnn(C)c2)cc1 ZINC000271734072 497432930 /nfs/dbraw/zinc/43/29/30/497432930.db2.gz URKJIEQLBSXXSE-UHFFFAOYSA-N 2 1 367.497 3.150 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261758317 497445978 /nfs/dbraw/zinc/44/59/78/497445978.db2.gz FQUKMYIFAUHTDG-QUCCMNQESA-N 2 1 357.542 3.064 20 0 FGADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000245579420 497464228 /nfs/dbraw/zinc/46/42/28/497464228.db2.gz IKAAKSAMMZGFKU-JBACZVJFSA-N 2 1 368.525 3.322 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000261896481 497471065 /nfs/dbraw/zinc/47/10/65/497471065.db2.gz WAUHOHJTQXLOCT-PMACEKPBSA-N 2 1 357.523 3.015 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426796 497475285 /nfs/dbraw/zinc/47/52/85/497475285.db2.gz QAOZMJFWGJJUHZ-LEWJYISDSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000271872137 497475782 /nfs/dbraw/zinc/47/57/82/497475782.db2.gz QLPWRNBCFPJDNH-QFIPXVFZSA-N 2 1 363.505 3.315 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245658949 497491468 /nfs/dbraw/zinc/49/14/68/497491468.db2.gz PDFBQKLNRGBOAU-NHCUHLMSSA-N 2 1 372.557 3.387 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245666732 497493749 /nfs/dbraw/zinc/49/37/49/497493749.db2.gz DWXIFLWGKHIVEZ-PXNSSMCTSA-N 2 1 360.546 3.153 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245714766 497514002 /nfs/dbraw/zinc/51/40/02/497514002.db2.gz NTWYLAXLAOPVTC-KOUNCHBCSA-N 2 1 369.553 3.419 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520578 /nfs/dbraw/zinc/52/05/78/497520578.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520583 /nfs/dbraw/zinc/52/05/83/497520583.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520588 /nfs/dbraw/zinc/52/05/88/497520588.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 2 1 372.601 3.379 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520594 /nfs/dbraw/zinc/52/05/94/497520594.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 2 1 372.601 3.379 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520598 /nfs/dbraw/zinc/52/05/98/497520598.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520602 /nfs/dbraw/zinc/52/06/02/497520602.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734291 497520607 /nfs/dbraw/zinc/52/06/07/497520607.db2.gz KIIIBAPRBPCSND-UGKGYDQZSA-N 2 1 372.601 3.379 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262181320 497521805 /nfs/dbraw/zinc/52/18/05/497521805.db2.gz IRSUSEBMMQVUNX-GLJUWKHASA-N 2 1 367.896 3.120 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Br)c(C)c2)CC1 ZINC000262353429 497544111 /nfs/dbraw/zinc/54/41/11/497544111.db2.gz VKNSVWVXRQYYGP-UHFFFAOYSA-N 2 1 368.319 3.018 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245882167 497558989 /nfs/dbraw/zinc/55/89/89/497558989.db2.gz KRCSEBJTVGQTNN-QHAWAJNXSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000245885003 497559886 /nfs/dbraw/zinc/55/98/86/497559886.db2.gz BNKZYXLSHOGREO-DFQSSKMNSA-N 2 1 372.557 3.242 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262629470 497587305 /nfs/dbraw/zinc/58/73/05/497587305.db2.gz DLWSUVZNWYFIJR-YSFYHYPLSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300466 497589990 /nfs/dbraw/zinc/58/99/90/497589990.db2.gz PRNBJGDBXCQMQH-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H](CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262646399 497590562 /nfs/dbraw/zinc/59/05/62/497590562.db2.gz ODNKTTXHCKDHEZ-BEARUUAKSA-N 2 1 371.569 3.285 20 0 FGADMP C[C@@]1(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000581134811 505917458 /nfs/dbraw/zinc/91/74/58/505917458.db2.gz DBPFRHKBOBSABJ-JOCHJYFZSA-N 2 1 372.557 3.259 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246111128 497625178 /nfs/dbraw/zinc/62/51/78/497625178.db2.gz JQVGMWZEYOXJAM-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262817813 497628678 /nfs/dbraw/zinc/62/86/78/497628678.db2.gz GLNUJYSOTDMSEB-HSZRJFAPSA-N 2 1 365.521 3.231 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000246123425 497629532 /nfs/dbraw/zinc/62/95/32/497629532.db2.gz VUANHENARUJXGY-RVKKMQEKSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000246123425 497629538 /nfs/dbraw/zinc/62/95/38/497629538.db2.gz VUANHENARUJXGY-RVKKMQEKSA-N 2 1 367.497 3.166 20 0 FGADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246144245 497637702 /nfs/dbraw/zinc/63/77/02/497637702.db2.gz CCRDKECQMCLKQR-GGPKGHCWSA-N 2 1 374.573 3.315 20 0 FGADMP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000575095724 505920186 /nfs/dbraw/zinc/92/01/86/505920186.db2.gz SAPGGJXWADXMBE-WBMJQRKESA-N 2 1 369.303 3.008 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000246181607 497650583 /nfs/dbraw/zinc/65/05/83/497650583.db2.gz UCEXZQBDQKVSGQ-GEALJGNFSA-N 2 1 366.933 3.337 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000246181607 497650588 /nfs/dbraw/zinc/65/05/88/497650588.db2.gz UCEXZQBDQKVSGQ-GEALJGNFSA-N 2 1 366.933 3.337 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246198611 497656768 /nfs/dbraw/zinc/65/67/68/497656768.db2.gz MVIBKDMQAMWPPV-TZIWHRDSSA-N 2 1 372.557 3.197 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000280148290 497663900 /nfs/dbraw/zinc/66/39/00/497663900.db2.gz FBDLODLPGVZLLG-FGZHOGPDSA-N 2 1 368.525 3.038 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)C(C)C)C1 ZINC000246222137 497666874 /nfs/dbraw/zinc/66/68/74/497666874.db2.gz PDEZOIGFJQAKLE-CTNGQTDRSA-N 2 1 359.558 3.206 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@H](COCC)C3)cc2)C1 ZINC000246273886 497679649 /nfs/dbraw/zinc/67/96/49/497679649.db2.gz WFIDJMZUADDSGT-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)c2cc(C)n(CCc3ccccc3)c2C)CC1 ZINC000572243793 505923991 /nfs/dbraw/zinc/92/39/91/505923991.db2.gz OCPKAQNDRNGGME-UHFFFAOYSA-N 2 1 367.537 3.462 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000246369160 497709833 /nfs/dbraw/zinc/70/98/33/497709833.db2.gz HFDXRQWAJZELAB-FGTMMUONSA-N 2 1 364.534 3.034 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000246404624 497723502 /nfs/dbraw/zinc/72/35/02/497723502.db2.gz QICCZRLGASRNGR-WOJBJXKFSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000246404624 497723503 /nfs/dbraw/zinc/72/35/03/497723503.db2.gz QICCZRLGASRNGR-WOJBJXKFSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000246404624 497723504 /nfs/dbraw/zinc/72/35/04/497723504.db2.gz QICCZRLGASRNGR-WOJBJXKFSA-N 2 1 366.594 3.166 20 0 FGADMP Cc1cc(CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000572247718 505925350 /nfs/dbraw/zinc/92/53/50/505925350.db2.gz KZYRARLXEUUXDC-OAQYLSRUSA-N 2 1 352.482 3.162 20 0 FGADMP COc1ccc(C[N@@H+](CCCn2ccnc2)CCc2ccccn2)cc1 ZINC000280375395 497734308 /nfs/dbraw/zinc/73/43/08/497734308.db2.gz KSWSEJMRUOMBOF-UHFFFAOYSA-N 2 1 350.466 3.422 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246448001 497737230 /nfs/dbraw/zinc/73/72/30/497737230.db2.gz DSJZQAPRPDCIRM-BLIXFSHQSA-N 2 1 373.516 3.294 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246461541 497742436 /nfs/dbraw/zinc/74/24/36/497742436.db2.gz FLVMBVJWBVJAJI-LPMFXHHGSA-N 2 1 363.452 3.241 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246516123 497760146 /nfs/dbraw/zinc/76/01/46/497760146.db2.gz INPMOQRTFKZCEW-FUHWJXTLSA-N 2 1 366.575 3.113 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000277296277 497797214 /nfs/dbraw/zinc/79/72/14/497797214.db2.gz TXPUHTSXHFUMNN-GOSISDBHSA-N 2 1 356.514 3.205 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000277296277 497797217 /nfs/dbraw/zinc/79/72/17/497797217.db2.gz TXPUHTSXHFUMNN-GOSISDBHSA-N 2 1 356.514 3.205 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000277296281 497797323 /nfs/dbraw/zinc/79/73/23/497797323.db2.gz TXPUHTSXHFUMNN-SFHVURJKSA-N 2 1 356.514 3.205 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1ccccc1 ZINC000277296281 497797325 /nfs/dbraw/zinc/79/73/25/497797325.db2.gz TXPUHTSXHFUMNN-SFHVURJKSA-N 2 1 356.514 3.205 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@@H](C)C1 ZINC000246890813 497818958 /nfs/dbraw/zinc/81/89/58/497818958.db2.gz DSLCRAKKAWISNO-UAGQMJEPSA-N 2 1 351.922 3.247 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000246943875 497821528 /nfs/dbraw/zinc/82/15/28/497821528.db2.gz HTKJYCXHNLXZDQ-IAGOWNOFSA-N 2 1 364.555 3.395 20 0 FGADMP C[C@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000364202163 497838886 /nfs/dbraw/zinc/83/88/86/497838886.db2.gz YCFJNQUXVXSJPA-KRWDZBQOSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000292058417 497859992 /nfs/dbraw/zinc/85/99/92/497859992.db2.gz JXAGBKOJJRCGTM-CRAIPNDOSA-N 2 1 371.447 3.075 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000581240133 505941068 /nfs/dbraw/zinc/94/10/68/505941068.db2.gz VBTZUQIGVNZVHW-ZWKOTPCHSA-N 2 1 372.557 3.330 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1 ZINC000569487369 505946540 /nfs/dbraw/zinc/94/65/40/505946540.db2.gz ZXSYHCRUXLNKKZ-UHFFFAOYSA-N 2 1 372.538 3.379 20 0 FGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CS1 ZINC000575235345 505947924 /nfs/dbraw/zinc/94/79/24/505947924.db2.gz PEUJPMRAGGXPNQ-NUJGCVRESA-N 2 1 353.601 3.156 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000578499626 505955699 /nfs/dbraw/zinc/95/56/99/505955699.db2.gz UOHRBKGFNSARJU-QGZVFWFLSA-N 2 1 355.404 3.184 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000572420583 505964891 /nfs/dbraw/zinc/96/48/91/505964891.db2.gz CZVHVEWUENMUJW-SFHVURJKSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000364631952 498059767 /nfs/dbraw/zinc/05/97/67/498059767.db2.gz QCJBUMWYBXTERT-MVKWOJARSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364631952 498059773 /nfs/dbraw/zinc/05/97/73/498059773.db2.gz QCJBUMWYBXTERT-MVKWOJARSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000364631952 498059779 /nfs/dbraw/zinc/05/97/79/498059779.db2.gz QCJBUMWYBXTERT-MVKWOJARSA-N 2 1 362.558 3.033 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000285372315 498066744 /nfs/dbraw/zinc/06/67/44/498066744.db2.gz CCVXEQIHPWEXQF-UHFFFAOYSA-N 2 1 368.481 3.002 20 0 FGADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000292612605 498080385 /nfs/dbraw/zinc/08/03/85/498080385.db2.gz XMJQKJQHRHDGJN-OAQYLSRUSA-N 2 1 357.542 3.137 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686284 505993999 /nfs/dbraw/zinc/99/39/99/505993999.db2.gz JNERRXKQMJFYOE-UKRRQHHQSA-N 2 1 361.313 3.055 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](c1cncc(F)c1)C1CC1 ZINC000281424322 498146072 /nfs/dbraw/zinc/14/60/72/498146072.db2.gz BXYQMXXQISXRQW-FGZHOGPDSA-N 2 1 369.484 3.418 20 0 FGADMP c1csc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)n1 ZINC000281463294 498159179 /nfs/dbraw/zinc/15/91/79/498159179.db2.gz DWYWXJIKXDHGJT-UHFFFAOYSA-N 2 1 370.566 3.409 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289539878 498186155 /nfs/dbraw/zinc/18/61/55/498186155.db2.gz CLYXORKHXDJWHX-CQSZACIVSA-N 2 1 372.456 3.169 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000289539878 498186161 /nfs/dbraw/zinc/18/61/61/498186161.db2.gz CLYXORKHXDJWHX-CQSZACIVSA-N 2 1 372.456 3.169 20 0 FGADMP COC(=O)c1cc([C@@H](C)[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975396 498219370 /nfs/dbraw/zinc/21/93/70/498219370.db2.gz QKVADTMLVXKXLJ-QAPCUYQASA-N 2 1 371.481 3.285 20 0 FGADMP COC(=O)c1cc([C@@H](C)[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975396 498219377 /nfs/dbraw/zinc/21/93/77/498219377.db2.gz QKVADTMLVXKXLJ-QAPCUYQASA-N 2 1 371.481 3.285 20 0 FGADMP OCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000285924199 498242051 /nfs/dbraw/zinc/24/20/51/498242051.db2.gz CNVJNMODKIDQND-BHDDXSALSA-N 2 1 372.553 3.056 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000365081765 498289075 /nfs/dbraw/zinc/28/90/75/498289075.db2.gz FALNQNLBUQPQAL-NWDGAFQWSA-N 2 1 367.280 3.430 20 0 FGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cc(OC)c1OCC(F)F ZINC000289787876 498293209 /nfs/dbraw/zinc/29/32/09/498293209.db2.gz QKNBTZYICDQAJK-UHFFFAOYSA-N 2 1 360.445 3.025 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000572620057 506013564 /nfs/dbraw/zinc/01/35/64/506013564.db2.gz URXOAHHIMZUOEL-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000572620057 506013566 /nfs/dbraw/zinc/01/35/66/506013566.db2.gz URXOAHHIMZUOEL-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000360960013 498327684 /nfs/dbraw/zinc/32/76/84/498327684.db2.gz OELVRYVWANPRMH-JOCHJYFZSA-N 2 1 351.538 3.484 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)CC1 ZINC000286263289 498343038 /nfs/dbraw/zinc/34/30/38/498343038.db2.gz VBTIPBGDSYLGQI-JOCHJYFZSA-N 2 1 369.509 3.074 20 0 FGADMP CCCc1cc(N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c2ccccc2[nH+]1 ZINC000301968392 498349029 /nfs/dbraw/zinc/34/90/29/498349029.db2.gz PKLHDJAUXJZHPQ-HXUWFJFHSA-N 2 1 366.509 3.106 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](COC)c2cccc(Cl)c2)CC1 ZINC000289925179 498355883 /nfs/dbraw/zinc/35/58/83/498355883.db2.gz VJJHMBKNWUAQSW-IBGZPJMESA-N 2 1 353.938 3.035 20 0 FGADMP Fc1ccc(-n2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811126 506021383 /nfs/dbraw/zinc/02/13/83/506021383.db2.gz LSLWCROXENFFBA-DLBZAZTESA-N 2 1 368.500 3.322 20 0 FGADMP C[C@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000297305663 498398141 /nfs/dbraw/zinc/39/81/41/498398141.db2.gz BIDZLQXFKBSBHN-SFHVURJKSA-N 2 1 357.542 3.408 20 0 FGADMP COCC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC000361717340 498423028 /nfs/dbraw/zinc/42/30/28/498423028.db2.gz DEVSWFMLZVSWAI-UWJYYQICSA-N 2 1 359.514 3.016 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000361717827 498423893 /nfs/dbraw/zinc/42/38/93/498423893.db2.gz ITPHAGZPJNCUSG-OXFYSEKESA-N 2 1 363.571 3.273 20 0 FGADMP CCC[C@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000569852973 506031759 /nfs/dbraw/zinc/03/17/59/506031759.db2.gz CNYPZDBTUGQBPH-OAQYLSRUSA-N 2 1 357.542 3.056 20 0 FGADMP CCC[C@@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000569852972 506031769 /nfs/dbraw/zinc/03/17/69/506031769.db2.gz CNYPZDBTUGQBPH-NRFANRHFSA-N 2 1 357.542 3.056 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cs1 ZINC000361768304 498427564 /nfs/dbraw/zinc/42/75/64/498427564.db2.gz PGBXEKFFTSTNFO-GUDVDZBRSA-N 2 1 361.555 3.211 20 0 FGADMP C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581634127 506032420 /nfs/dbraw/zinc/03/24/20/506032420.db2.gz AMGOQHXWQLFTHG-JBACZVJFSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1CC[C@@H](CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000361812644 498435430 /nfs/dbraw/zinc/43/54/30/498435430.db2.gz KPOBWZSFKTUNDA-UYAOXDASSA-N 2 1 363.590 3.467 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000572719944 506036273 /nfs/dbraw/zinc/03/62/73/506036273.db2.gz YYPDKPCRIKOUNV-IBGZPJMESA-N 2 1 372.557 3.341 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)C2 ZINC000290243924 498480556 /nfs/dbraw/zinc/48/05/56/498480556.db2.gz CCNZXHCMTLXKAX-SFHVURJKSA-N 2 1 352.482 3.031 20 0 FGADMP CC1(C)CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[N@@H+]1CCO ZINC000302557781 498507402 /nfs/dbraw/zinc/50/74/02/498507402.db2.gz SKZMRLOJGNONBO-UHFFFAOYSA-N 2 1 353.388 3.147 20 0 FGADMP CC1(C)CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC[N@H+]1CCO ZINC000302557781 498507407 /nfs/dbraw/zinc/50/74/07/498507407.db2.gz SKZMRLOJGNONBO-UHFFFAOYSA-N 2 1 353.388 3.147 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890943 506045698 /nfs/dbraw/zinc/04/56/98/506045698.db2.gz BWDKPFXJJFTMAO-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890943 506045701 /nfs/dbraw/zinc/04/57/01/506045701.db2.gz BWDKPFXJJFTMAO-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000362420328 498515229 /nfs/dbraw/zinc/51/52/29/498515229.db2.gz WTTHSICGYCRYIO-QGZVFWFLSA-N 2 1 355.448 3.165 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)C1=O ZINC000293919196 498533080 /nfs/dbraw/zinc/53/30/80/498533080.db2.gz XTHAIOWIDPMOPP-WOUAJJJCSA-N 2 1 370.472 3.267 20 0 FGADMP c1nc(C2OCCO2)sc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000290434411 498552312 /nfs/dbraw/zinc/55/23/12/498552312.db2.gz RVJCTIWZLCKLLZ-UHFFFAOYSA-N 2 1 359.495 3.074 20 0 FGADMP Cc1cccc(NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000362850887 498566881 /nfs/dbraw/zinc/56/68/81/498566881.db2.gz JMWOVHNZXHJHKG-UHFFFAOYSA-N 2 1 358.530 3.313 20 0 FGADMP C[C@H](O)c1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000290519716 498582947 /nfs/dbraw/zinc/58/29/47/498582947.db2.gz XMSGLBUSGOQDDP-JYJNAYRXSA-N 2 1 359.539 3.443 20 0 FGADMP C[C@H](O)c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000290565144 498600797 /nfs/dbraw/zinc/60/07/97/498600797.db2.gz ZXWPNMFBERQAGS-MIGBEJBISA-N 2 1 357.523 3.482 20 0 FGADMP C[C@H](O)c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000290565144 498600799 /nfs/dbraw/zinc/60/07/99/498600799.db2.gz ZXWPNMFBERQAGS-MIGBEJBISA-N 2 1 357.523 3.482 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282673160 498606346 /nfs/dbraw/zinc/60/63/46/498606346.db2.gz JFWXOFMRVFFVBS-NHCUHLMSSA-N 2 1 358.526 3.082 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000290661659 498637187 /nfs/dbraw/zinc/63/71/87/498637187.db2.gz ZTJKBIYIBRCPKS-UHFFFAOYSA-N 2 1 356.514 3.194 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000290661659 498637193 /nfs/dbraw/zinc/63/71/93/498637193.db2.gz ZTJKBIYIBRCPKS-UHFFFAOYSA-N 2 1 356.514 3.194 20 0 FGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009128 506067330 /nfs/dbraw/zinc/06/73/30/506067330.db2.gz QBKBKSXXZBNKNO-HIFRSBDPSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009128 506067333 /nfs/dbraw/zinc/06/73/33/506067333.db2.gz QBKBKSXXZBNKNO-HIFRSBDPSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009128 506067338 /nfs/dbraw/zinc/06/73/38/506067338.db2.gz QBKBKSXXZBNKNO-HIFRSBDPSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009128 506067342 /nfs/dbraw/zinc/06/73/42/506067342.db2.gz QBKBKSXXZBNKNO-HIFRSBDPSA-N 2 1 360.420 3.408 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122897 498662460 /nfs/dbraw/zinc/66/24/60/498662460.db2.gz VBMAGGYLLPKUAQ-LAUBAEHRSA-N 2 1 372.534 3.090 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122897 498662467 /nfs/dbraw/zinc/66/24/67/498662467.db2.gz VBMAGGYLLPKUAQ-LAUBAEHRSA-N 2 1 372.534 3.090 20 0 FGADMP CC(C)[C@H]1CCCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365836927 498662987 /nfs/dbraw/zinc/66/29/87/498662987.db2.gz KHWDBEXZYGSXFU-HXUWFJFHSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CC[C@@H](C)N(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365836780 498663193 /nfs/dbraw/zinc/66/31/93/498663193.db2.gz JHIPNQSYXDEVDF-QZTJIDSGSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[C@@H]1CCCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365836925 498663692 /nfs/dbraw/zinc/66/36/92/498663692.db2.gz KHWDBEXZYGSXFU-FQEVSTJZSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303316229 498664624 /nfs/dbraw/zinc/66/46/24/498664624.db2.gz SHYOQBQEFHFOOS-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CCOc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+](C4CC4)CCO3)c2cc1OCC ZINC000303469147 498678939 /nfs/dbraw/zinc/67/89/39/498678939.db2.gz HGZOSVAGMRYTNP-MRXNPFEDSA-N 2 1 371.481 3.307 20 0 FGADMP CCOc1cc2[nH+]ccc(NC[C@@H]3C[N@H+](C4CC4)CCO3)c2cc1OCC ZINC000303469147 498678946 /nfs/dbraw/zinc/67/89/46/498678946.db2.gz HGZOSVAGMRYTNP-MRXNPFEDSA-N 2 1 371.481 3.307 20 0 FGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCCC1 ZINC000363158011 498679194 /nfs/dbraw/zinc/67/91/94/498679194.db2.gz RHIIINRKGCXFRI-HSALFYBXSA-N 2 1 352.563 3.452 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1OC ZINC000579022201 506076370 /nfs/dbraw/zinc/07/63/70/506076370.db2.gz QGBFXJIOSQPPEE-UHFFFAOYSA-N 2 1 373.541 3.244 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000282970418 498731161 /nfs/dbraw/zinc/73/11/61/498731161.db2.gz DCEZEIMBSQPCTD-IPELMVKDSA-N 2 1 353.466 3.217 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306681 498753405 /nfs/dbraw/zinc/75/34/05/498753405.db2.gz KFOGHHZEPGLVAC-FUHWJXTLSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306681 498753410 /nfs/dbraw/zinc/75/34/10/498753410.db2.gz KFOGHHZEPGLVAC-FUHWJXTLSA-N 2 1 358.486 3.230 20 0 FGADMP COc1cc(CNCCC[N@@H+](C)C(C)C)ccc1OCc1ccncc1 ZINC000298394620 498755570 /nfs/dbraw/zinc/75/55/70/498755570.db2.gz HPROPIJLMQRQCP-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+](C)C(C)C)ccc1OCc1ccncc1 ZINC000298394620 498755575 /nfs/dbraw/zinc/75/55/75/498755575.db2.gz HPROPIJLMQRQCP-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+](C)C(C)C)ccc1OCc1ccncc1 ZINC000298394620 498755581 /nfs/dbraw/zinc/75/55/81/498755581.db2.gz HPROPIJLMQRQCP-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851488 498763761 /nfs/dbraw/zinc/76/37/61/498763761.db2.gz GHHKCDAJINKJOQ-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851488 498763769 /nfs/dbraw/zinc/76/37/69/498763769.db2.gz GHHKCDAJINKJOQ-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851488 498763778 /nfs/dbraw/zinc/76/37/78/498763778.db2.gz GHHKCDAJINKJOQ-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP COc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1OCc1cccnc1 ZINC000298419903 498765852 /nfs/dbraw/zinc/76/58/52/498765852.db2.gz QJYLFEASYRLEBI-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP COc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1OCc1cccnc1 ZINC000298419903 498765856 /nfs/dbraw/zinc/76/58/56/498765856.db2.gz QJYLFEASYRLEBI-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Nc1cccc(F)c1 ZINC000312989798 498766471 /nfs/dbraw/zinc/76/64/71/498766471.db2.gz MCOYKYCCZPMZRD-IOMROCGXSA-N 2 1 367.468 3.264 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Nc1cccc(F)c1 ZINC000312989798 498766475 /nfs/dbraw/zinc/76/64/75/498766475.db2.gz MCOYKYCCZPMZRD-IOMROCGXSA-N 2 1 367.468 3.264 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000576149331 506088622 /nfs/dbraw/zinc/08/86/22/506088622.db2.gz SZFMRPBTZBAQQI-SYYKKAFVSA-N 2 1 360.542 3.009 20 0 FGADMP CCOc1c(Br)cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000316807040 498788330 /nfs/dbraw/zinc/78/83/30/498788330.db2.gz PMFVNNJVICRHNA-JSGCOSHPSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000316807040 498788340 /nfs/dbraw/zinc/78/83/40/498788340.db2.gz PMFVNNJVICRHNA-JSGCOSHPSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000316807040 498788349 /nfs/dbraw/zinc/78/83/49/498788349.db2.gz PMFVNNJVICRHNA-JSGCOSHPSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000316807040 498788356 /nfs/dbraw/zinc/78/83/56/498788356.db2.gz PMFVNNJVICRHNA-JSGCOSHPSA-N 2 1 371.319 3.429 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)[nH+]c1 ZINC000363393374 498796545 /nfs/dbraw/zinc/79/65/45/498796545.db2.gz QORJXDKPMJFVMF-RTBURBONSA-N 2 1 372.557 3.091 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000332827670 498805981 /nfs/dbraw/zinc/80/59/81/498805981.db2.gz LZVCWQWDFGYTSJ-BPQIPLTHSA-N 2 1 370.541 3.235 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000287623347 498817629 /nfs/dbraw/zinc/81/76/29/498817629.db2.gz UHFNMKWZGVNAPS-LJQANCHMSA-N 2 1 352.482 3.385 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259252 498845968 /nfs/dbraw/zinc/84/59/68/498845968.db2.gz NGQNIAOAVVXTJH-AYOQOUSVSA-N 2 1 363.933 3.293 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccco3)C(C)C)CC2)CC1 ZINC000576239143 506110538 /nfs/dbraw/zinc/11/05/38/506110538.db2.gz RPYIRIKIHHQSQB-UHFFFAOYSA-N 2 1 361.530 3.213 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN(Cc3ccncc3)C3CC3)C2)cc1 ZINC000573113102 506121704 /nfs/dbraw/zinc/12/17/04/506121704.db2.gz DZUCNHFOMHCFPB-QFIPXVFZSA-N 2 1 351.494 3.337 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000363786355 498992647 /nfs/dbraw/zinc/99/26/47/498992647.db2.gz FWLNRSJVZWBUAA-XFQXTVEOSA-N 2 1 359.489 3.329 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000576296635 506124199 /nfs/dbraw/zinc/12/41/99/506124199.db2.gz ZCDYWBMADNDOLI-VAMGGRTRSA-N 2 1 359.558 3.369 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000363794961 498996458 /nfs/dbraw/zinc/99/64/58/498996458.db2.gz FHIBEAMGVUETBG-GJJHYRHESA-N 2 1 366.933 3.027 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000579237356 506126584 /nfs/dbraw/zinc/12/65/84/506126584.db2.gz HHJZWDORZZPTJM-HXUWFJFHSA-N 2 1 350.510 3.434 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000579237356 506126585 /nfs/dbraw/zinc/12/65/85/506126585.db2.gz HHJZWDORZZPTJM-HXUWFJFHSA-N 2 1 350.510 3.434 20 0 FGADMP C[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363876652 499036459 /nfs/dbraw/zinc/03/64/59/499036459.db2.gz RQEBLXGSFVHSIE-UHFFFAOYSA-N 2 1 362.481 3.011 20 0 FGADMP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000291742306 499054407 /nfs/dbraw/zinc/05/44/07/499054407.db2.gz JEQXLHSNFAAQHP-MAUKXSAKSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@H]1[C@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000291742306 499054411 /nfs/dbraw/zinc/05/44/11/499054411.db2.gz JEQXLHSNFAAQHP-MAUKXSAKSA-N 2 1 357.523 3.203 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333811694 499080966 /nfs/dbraw/zinc/08/09/66/499080966.db2.gz FUBJRLMZWRRITG-OLZOCXBDSA-N 2 1 363.449 3.189 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333889343 499093635 /nfs/dbraw/zinc/09/36/35/499093635.db2.gz WSYFIBDMKSPORN-OCCSQVGLSA-N 2 1 363.449 3.189 20 0 FGADMP Cc1cc(C)cc(NC(=[NH2+])NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000364035848 499094811 /nfs/dbraw/zinc/09/48/11/499094811.db2.gz IAFNNFTVGVDDFL-UHFFFAOYSA-N 3 1 371.573 3.436 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3Cc4[nH]c5ccccc5c4C3)CC2)nc(C)[nH+]1 ZINC000367023224 499135228 /nfs/dbraw/zinc/13/52/28/499135228.db2.gz KYQGPYWTQJWRGU-KRWDZBQOSA-N 2 1 361.493 3.301 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000369934824 499153964 /nfs/dbraw/zinc/15/39/64/499153964.db2.gz JUSNMUJPSCMPRD-KRWDZBQOSA-N 2 1 366.575 3.245 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](CC(C)C)CC2)c2ccc(F)cc2C1 ZINC000369934000 499154064 /nfs/dbraw/zinc/15/40/64/499154064.db2.gz PUFKDCSWSXTURA-OAQYLSRUSA-N 2 1 361.505 3.329 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC1(C)CC1 ZINC000370034247 499169196 /nfs/dbraw/zinc/16/91/96/499169196.db2.gz XKGYJFUYMUDHAA-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576346101 506136117 /nfs/dbraw/zinc/13/61/17/506136117.db2.gz YZMJCJVQMIMWSD-FQEVSTJZSA-N 2 1 355.526 3.176 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576346101 506136119 /nfs/dbraw/zinc/13/61/19/506136119.db2.gz YZMJCJVQMIMWSD-FQEVSTJZSA-N 2 1 355.526 3.176 20 0 FGADMP COc1cc([C@@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000372834404 499182067 /nfs/dbraw/zinc/18/20/67/499182067.db2.gz BZSQUJKAYJJHMA-KRWDZBQOSA-N 2 1 359.470 3.445 20 0 FGADMP COc1cc([C@@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000372834404 499182070 /nfs/dbraw/zinc/18/20/70/499182070.db2.gz BZSQUJKAYJJHMA-KRWDZBQOSA-N 2 1 359.470 3.445 20 0 FGADMP COC[C@H](Cc1ccccc1)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370661455 499241277 /nfs/dbraw/zinc/24/12/77/499241277.db2.gz GCBRUVVVXNPQAS-QFIPXVFZSA-N 3 1 373.585 3.030 20 0 FGADMP CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885829 499241894 /nfs/dbraw/zinc/24/18/94/499241894.db2.gz MWUHXZUMCIBYAM-OAQYLSRUSA-N 2 1 366.509 3.059 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705976 499246315 /nfs/dbraw/zinc/24/63/15/499246315.db2.gz KQOWTPFNISFMTI-XXBNENTESA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705976 499246317 /nfs/dbraw/zinc/24/63/17/499246317.db2.gz KQOWTPFNISFMTI-XXBNENTESA-N 2 1 371.569 3.466 20 0 FGADMP Cc1nccn1CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000370712619 499246960 /nfs/dbraw/zinc/24/69/60/499246960.db2.gz WYDUTEGCNACYMH-BCDXTJNWSA-N 2 1 362.518 3.492 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000370712619 499246962 /nfs/dbraw/zinc/24/69/62/499246962.db2.gz WYDUTEGCNACYMH-BCDXTJNWSA-N 2 1 362.518 3.492 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C2 ZINC000370712619 499246964 /nfs/dbraw/zinc/24/69/64/499246964.db2.gz WYDUTEGCNACYMH-BCDXTJNWSA-N 2 1 362.518 3.492 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773613 499253181 /nfs/dbraw/zinc/25/31/81/499253181.db2.gz OXGXKOXCHMHSQK-WMLDXEAASA-N 2 1 371.447 3.332 20 0 FGADMP C[C@H]1C[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000368029493 499257098 /nfs/dbraw/zinc/25/70/98/499257098.db2.gz JMBZTSHDVZVCBK-DOTOQJQBSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@H]1C[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368029493 499257099 /nfs/dbraw/zinc/25/70/99/499257099.db2.gz JMBZTSHDVZVCBK-DOTOQJQBSA-N 2 1 373.522 3.189 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC000368062843 499260535 /nfs/dbraw/zinc/26/05/35/499260535.db2.gz LJHQCVPIQFIQME-SFHVURJKSA-N 2 1 356.470 3.120 20 0 FGADMP Cn1cc[nH+]c1CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000370860650 499263492 /nfs/dbraw/zinc/26/34/92/499263492.db2.gz JDBVQBXOKFTWQS-UHFFFAOYSA-N 2 1 366.509 3.111 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368297318 499283072 /nfs/dbraw/zinc/28/30/72/499283072.db2.gz WJPRBGZNYOJMQK-TVFCKZIOSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@@H+](C[C@H]4CCCO4)C[C@@H]3C)cc(=O)oc2c1 ZINC000368417923 499294027 /nfs/dbraw/zinc/29/40/27/499294027.db2.gz VEKOOQNLLSVGHN-ILZDJORESA-N 2 1 370.493 3.080 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C)cc(=O)oc2c1 ZINC000368417923 499294028 /nfs/dbraw/zinc/29/40/28/499294028.db2.gz VEKOOQNLLSVGHN-ILZDJORESA-N 2 1 370.493 3.080 20 0 FGADMP CCc1ccc2c(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc(=O)oc2c1 ZINC000371289070 499306449 /nfs/dbraw/zinc/30/64/49/499306449.db2.gz HLQJXUPKTFJOIQ-SLYNCCJLSA-N 2 1 370.493 3.039 20 0 FGADMP CCc1ccc2c(C[N@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc(=O)oc2c1 ZINC000371289070 499306451 /nfs/dbraw/zinc/30/64/51/499306451.db2.gz HLQJXUPKTFJOIQ-SLYNCCJLSA-N 2 1 370.493 3.039 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000368564073 499307943 /nfs/dbraw/zinc/30/79/43/499307943.db2.gz OXSYYBDXNPGYQP-FOIQADDNSA-N 2 1 365.481 3.098 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000371304251 499308106 /nfs/dbraw/zinc/30/81/06/499308106.db2.gz SDTMHZXYOTUJSG-VGOFRKELSA-N 2 1 352.526 3.001 20 0 FGADMP Cc1ccncc1CCC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000368565836 499308279 /nfs/dbraw/zinc/30/82/79/499308279.db2.gz GAJFJZFOEFYQSN-QFIPXVFZSA-N 2 1 353.510 3.203 20 0 FGADMP Cc1ccncc1CCC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000368565836 499308281 /nfs/dbraw/zinc/30/82/81/499308281.db2.gz GAJFJZFOEFYQSN-QFIPXVFZSA-N 2 1 353.510 3.203 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610911 499313378 /nfs/dbraw/zinc/31/33/78/499313378.db2.gz GSQAWNHXLPXDBU-APWZRJJASA-N 2 1 366.933 3.339 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610911 499313379 /nfs/dbraw/zinc/31/33/79/499313379.db2.gz GSQAWNHXLPXDBU-APWZRJJASA-N 2 1 366.933 3.339 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000368738727 499326849 /nfs/dbraw/zinc/32/68/49/499326849.db2.gz BRTFWIUNKKHKBJ-WRWLIDTKSA-N 2 1 368.525 3.446 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468358 499331157 /nfs/dbraw/zinc/33/11/57/499331157.db2.gz APSGGKWMDFEZIF-YPAWHYETSA-N 2 1 351.494 3.432 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490314 499333435 /nfs/dbraw/zinc/33/34/35/499333435.db2.gz DLAXDSUFABZNOZ-CRAIPNDOSA-N 2 1 354.498 3.248 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1)C2 ZINC000371491618 499334052 /nfs/dbraw/zinc/33/40/52/499334052.db2.gz SVFBATFBBREHRV-KEYYUXOJSA-N 2 1 360.889 3.015 20 0 FGADMP Cc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2n1 ZINC000368930386 499347786 /nfs/dbraw/zinc/34/77/86/499347786.db2.gz KYGNWDDUXVTNDQ-VGOFRKELSA-N 2 1 352.526 3.001 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722119 499358789 /nfs/dbraw/zinc/35/87/89/499358789.db2.gz CSOQWAJVXJQZFL-KNQAVFIVSA-N 2 1 361.493 3.265 20 0 FGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000369194354 499376078 /nfs/dbraw/zinc/37/60/78/499376078.db2.gz OZEHHSKOXHZUDU-RTWAWAEBSA-N 2 1 358.574 3.279 20 0 FGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000369349078 499394215 /nfs/dbraw/zinc/39/42/15/499394215.db2.gz WTDRIUNJBSWWRM-QGZVFWFLSA-N 2 1 353.963 3.144 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000369349078 499394216 /nfs/dbraw/zinc/39/42/16/499394216.db2.gz WTDRIUNJBSWWRM-QGZVFWFLSA-N 2 1 353.963 3.144 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000372190511 499407199 /nfs/dbraw/zinc/40/71/99/499407199.db2.gz BNNWJBUESZYHAT-UNMCSNQZSA-N 2 1 367.537 3.371 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC=C(c4cccnc4)CC3)c2cc1C ZINC000369491539 499408518 /nfs/dbraw/zinc/40/85/18/499408518.db2.gz FWAGYEDBNCSEEP-HXUWFJFHSA-N 2 1 362.477 3.198 20 0 FGADMP C[C@@H]1CCCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000372319817 499420481 /nfs/dbraw/zinc/42/04/81/499420481.db2.gz INFCPXQSTHTAJX-GOSISDBHSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417068 499432376 /nfs/dbraw/zinc/43/23/76/499432376.db2.gz UDDBDJXFZLDQCQ-FQEVSTJZSA-N 2 1 365.525 3.140 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417068 499432377 /nfs/dbraw/zinc/43/23/77/499432377.db2.gz UDDBDJXFZLDQCQ-FQEVSTJZSA-N 2 1 365.525 3.140 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417068 499432379 /nfs/dbraw/zinc/43/23/79/499432379.db2.gz UDDBDJXFZLDQCQ-FQEVSTJZSA-N 2 1 365.525 3.140 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417068 499432380 /nfs/dbraw/zinc/43/23/80/499432380.db2.gz UDDBDJXFZLDQCQ-FQEVSTJZSA-N 2 1 365.525 3.140 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000369780620 499442712 /nfs/dbraw/zinc/44/27/12/499442712.db2.gz SSRDTHWFNIXGKS-IBGZPJMESA-N 2 1 374.529 3.109 20 0 FGADMP CC(C)(C)c1ccc(OC[C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000576393063 506147604 /nfs/dbraw/zinc/14/76/04/506147604.db2.gz OUGMUIQNPJXHFS-MHJFOBGBSA-N 2 1 360.542 3.330 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355765 499506036 /nfs/dbraw/zinc/50/60/36/499506036.db2.gz PKXDUMXSUXXOHV-AZUAARDMSA-N 2 1 355.526 3.012 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355765 499506038 /nfs/dbraw/zinc/50/60/38/499506038.db2.gz PKXDUMXSUXXOHV-AZUAARDMSA-N 2 1 355.526 3.012 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355768 499506154 /nfs/dbraw/zinc/50/61/54/499506154.db2.gz PKXDUMXSUXXOHV-UYAOXDASSA-N 2 1 355.526 3.012 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355768 499506155 /nfs/dbraw/zinc/50/61/55/499506155.db2.gz PKXDUMXSUXXOHV-UYAOXDASSA-N 2 1 355.526 3.012 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000378357876 499506446 /nfs/dbraw/zinc/50/64/46/499506446.db2.gz XYCSZRLIICUDDV-KRWDZBQOSA-N 2 1 358.530 3.120 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378357876 499506448 /nfs/dbraw/zinc/50/64/48/499506448.db2.gz XYCSZRLIICUDDV-KRWDZBQOSA-N 2 1 358.530 3.120 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cccnc1Cl ZINC000375381839 499512395 /nfs/dbraw/zinc/51/23/95/499512395.db2.gz UGEHIYNASLVPPE-RDJZCZTQSA-N 2 1 372.900 3.174 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCO1 ZINC000378494612 499523963 /nfs/dbraw/zinc/52/39/63/499523963.db2.gz KTSOKIZMTIYZTP-RQXATKFSSA-N 2 1 352.563 3.449 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCO1 ZINC000378494612 499523964 /nfs/dbraw/zinc/52/39/64/499523964.db2.gz KTSOKIZMTIYZTP-RQXATKFSSA-N 2 1 352.563 3.449 20 0 FGADMP COC(=O)c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000388981164 499551772 /nfs/dbraw/zinc/55/17/72/499551772.db2.gz QTLAEINZRDBOKS-YTQUADARSA-N 2 1 354.450 3.066 20 0 FGADMP C[C@@H](NCC(=O)Nc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839748 499552006 /nfs/dbraw/zinc/55/20/06/499552006.db2.gz XXZVYVGUMSWMGL-AEFFLSMTSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839748 499552007 /nfs/dbraw/zinc/55/20/07/499552007.db2.gz XXZVYVGUMSWMGL-AEFFLSMTSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839748 499552009 /nfs/dbraw/zinc/55/20/09/499552009.db2.gz XXZVYVGUMSWMGL-AEFFLSMTSA-N 2 1 355.457 3.264 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000375901596 499566673 /nfs/dbraw/zinc/56/66/73/499566673.db2.gz CDCZVZOIAPGVTL-SFHVURJKSA-N 2 1 355.448 3.306 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000409533770 499604247 /nfs/dbraw/zinc/60/42/47/499604247.db2.gz XZDIWFLSYYJOLF-VQTJNVASSA-N 2 1 373.928 3.232 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410371188 499658282 /nfs/dbraw/zinc/65/82/82/499658282.db2.gz SLFDBERWCSLWGW-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000377200303 499670357 /nfs/dbraw/zinc/67/03/57/499670357.db2.gz XSMFMOCRJHTCBQ-UHFFFAOYSA-N 2 1 363.505 3.274 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000377327935 499680181 /nfs/dbraw/zinc/68/01/81/499680181.db2.gz UZHDJTRQSLUIOC-SFHVURJKSA-N 2 1 373.545 3.017 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCCO2 ZINC000377559462 499704482 /nfs/dbraw/zinc/70/44/82/499704482.db2.gz DEKSTJKEHAESDC-LJQANCHMSA-N 2 1 355.482 3.334 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)cc(OC)c1O ZINC000377617288 499710856 /nfs/dbraw/zinc/71/08/56/499710856.db2.gz AJNNIDHAXVMRSC-PXNSSMCTSA-N 2 1 356.466 3.192 20 0 FGADMP CN(Cc1cnc(C(C)(C)C)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377634821 499713397 /nfs/dbraw/zinc/71/33/97/499713397.db2.gz YUFKHYREGQCGBG-INIZCTEOSA-N 2 1 350.576 3.041 20 0 FGADMP C[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634821 499713400 /nfs/dbraw/zinc/71/34/00/499713400.db2.gz YUFKHYREGQCGBG-INIZCTEOSA-N 2 1 350.576 3.041 20 0 FGADMP COCCOCc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377690936 499720615 /nfs/dbraw/zinc/72/06/15/499720615.db2.gz HKBVWTIODOJBSV-UHFFFAOYSA-N 2 1 369.509 3.345 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377691668 499720915 /nfs/dbraw/zinc/72/09/15/499720915.db2.gz HXPNKYNTIFTDSW-NRFANRHFSA-N 2 1 359.558 3.338 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377691668 499720916 /nfs/dbraw/zinc/72/09/16/499720916.db2.gz HXPNKYNTIFTDSW-NRFANRHFSA-N 2 1 359.558 3.338 20 0 FGADMP CSc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281713 499721418 /nfs/dbraw/zinc/72/14/18/499721418.db2.gz AYEXMPPEGOMOLH-ZWKOTPCHSA-N 2 1 364.555 3.099 20 0 FGADMP CSc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281713 499721419 /nfs/dbraw/zinc/72/14/19/499721419.db2.gz AYEXMPPEGOMOLH-ZWKOTPCHSA-N 2 1 364.555 3.099 20 0 FGADMP COc1ccc([C@H](C)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377714756 499724226 /nfs/dbraw/zinc/72/42/26/499724226.db2.gz IUCIJWNOMXPOST-OKCRPCIYSA-N 2 1 357.542 3.042 20 0 FGADMP C[C@H]1CN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C(C)(C)C1 ZINC000377971406 499752195 /nfs/dbraw/zinc/75/21/95/499752195.db2.gz YCOPIMUREVATEM-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396368 506158372 /nfs/dbraw/zinc/15/83/72/506158372.db2.gz JIZWEYVYVXWCBY-NHCUHLMSSA-N 2 1 351.494 3.482 20 0 FGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189748 499767307 /nfs/dbraw/zinc/76/73/07/499767307.db2.gz RHKSWWOBDGIMEG-MSOLQXFVSA-N 2 1 356.514 3.382 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000414255180 499771627 /nfs/dbraw/zinc/77/16/27/499771627.db2.gz CKKQRQWBZNLCMK-VSKRKVRLSA-N 2 1 372.553 3.462 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000414255180 499771628 /nfs/dbraw/zinc/77/16/28/499771628.db2.gz CKKQRQWBZNLCMK-VSKRKVRLSA-N 2 1 372.553 3.462 20 0 FGADMP CC(CC[NH+]1CCC[C@H]([NH+](C)C)CC1)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000411638568 499772002 /nfs/dbraw/zinc/77/20/02/499772002.db2.gz RZOSBRBEYAXBRI-VXKWHMMOSA-N 4 1 366.638 3.235 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000411997462 499811411 /nfs/dbraw/zinc/81/14/11/499811411.db2.gz IAMLXJHOLZDUSK-RTWAWAEBSA-N 2 1 357.542 3.245 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412039167 499815934 /nfs/dbraw/zinc/81/59/34/499815934.db2.gz PSMIXSWFBIWWRI-HXUWFJFHSA-N 2 1 355.526 3.419 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000414706105 499821458 /nfs/dbraw/zinc/82/14/58/499821458.db2.gz OLAAOGFVUVIEPW-APWZRJJASA-N 2 1 363.933 3.454 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)Cc2ccccc2F)C1 ZINC000414709022 499821771 /nfs/dbraw/zinc/82/17/71/499821771.db2.gz QUNAEMGOFFTROX-LJQANCHMSA-N 2 1 369.484 3.025 20 0 FGADMP CC[N@H+](Cc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000414718867 499822468 /nfs/dbraw/zinc/82/24/68/499822468.db2.gz SVEPAHVMTFPZMU-INIZCTEOSA-N 2 1 353.304 3.348 20 0 FGADMP CC[N@@H+](Cc1cc(Br)cc2c1OCC2)[C@H]1CCC[NH2+]CC1 ZINC000414718867 499822469 /nfs/dbraw/zinc/82/24/69/499822469.db2.gz SVEPAHVMTFPZMU-INIZCTEOSA-N 2 1 353.304 3.348 20 0 FGADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414779849 499830143 /nfs/dbraw/zinc/83/01/43/499830143.db2.gz KRXFAYONPZLNPD-GFCCVEGCSA-N 2 1 359.333 3.006 20 0 FGADMP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414779849 499830145 /nfs/dbraw/zinc/83/01/45/499830145.db2.gz KRXFAYONPZLNPD-GFCCVEGCSA-N 2 1 359.333 3.006 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414805874 499833275 /nfs/dbraw/zinc/83/32/75/499833275.db2.gz PXNSVCKJOHAIIP-OTYXRUKQSA-N 2 1 363.811 3.403 20 0 FGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Br)cc(C)c1OC(F)F ZINC000414850196 499837993 /nfs/dbraw/zinc/83/79/93/499837993.db2.gz ZANNIKRUIGUJFX-SECBINFHSA-N 2 1 351.235 3.304 20 0 FGADMP C[C@H]1C[C@@H](NCCC[NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000414882924 499840923 /nfs/dbraw/zinc/84/09/23/499840923.db2.gz SNTZURXPEWJGKC-UGKGYDQZSA-N 2 1 352.526 3.204 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414908288 499843589 /nfs/dbraw/zinc/84/35/89/499843589.db2.gz RNASJGQCXFZAMO-CYBMUJFWSA-N 2 1 357.292 3.088 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414907494 499843754 /nfs/dbraw/zinc/84/37/54/499843754.db2.gz QQRYYCIHALTRLB-CRAIPNDOSA-N 2 1 355.486 3.174 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414909299 499844045 /nfs/dbraw/zinc/84/40/45/499844045.db2.gz RMQGBUPPXUIYCX-MAUKXSAKSA-N 2 1 355.486 3.174 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414936101 499846488 /nfs/dbraw/zinc/84/64/88/499846488.db2.gz BGLXTZMIIUEXGB-WFASDCNBSA-N 2 1 371.319 3.334 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)c2)cc1 ZINC000414976033 499850683 /nfs/dbraw/zinc/85/06/83/499850683.db2.gz PKWCWIQFPJWERT-HXUWFJFHSA-N 2 1 367.493 3.425 20 0 FGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414979667 499851069 /nfs/dbraw/zinc/85/10/69/499851069.db2.gz ODZUXJIYQLQQHR-GOSISDBHSA-N 2 1 350.466 3.375 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cccc3c2OCCO3)cc1 ZINC000414990720 499852030 /nfs/dbraw/zinc/85/20/30/499852030.db2.gz AMWWKVHQUOWRCY-MJGOQNOKSA-N 2 1 356.441 3.080 20 0 FGADMP C[N@@H+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C[C@@H](O)C[NH3+] ZINC000415065143 499860003 /nfs/dbraw/zinc/86/00/03/499860003.db2.gz FMHQFMKDEYHZLS-HNNXBMFYSA-N 2 1 369.292 3.324 20 0 FGADMP C[N@H+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C[C@@H](O)C[NH3+] ZINC000415065143 499860004 /nfs/dbraw/zinc/86/00/04/499860004.db2.gz FMHQFMKDEYHZLS-HNNXBMFYSA-N 2 1 369.292 3.324 20 0 FGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCCC1 ZINC000415069382 499860443 /nfs/dbraw/zinc/86/04/43/499860443.db2.gz SJCDGXHQMCCNHS-INIZCTEOSA-N 2 1 352.404 3.498 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415072266 499860902 /nfs/dbraw/zinc/86/09/02/499860902.db2.gz VZGWKDPABQFTLZ-GXTWGEPZSA-N 2 1 359.392 3.034 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111911 499865228 /nfs/dbraw/zinc/86/52/28/499865228.db2.gz RJUMFILJQJWXKV-FGZHOGPDSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111911 499865229 /nfs/dbraw/zinc/86/52/29/499865229.db2.gz RJUMFILJQJWXKV-FGZHOGPDSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111911 499865231 /nfs/dbraw/zinc/86/52/31/499865231.db2.gz RJUMFILJQJWXKV-FGZHOGPDSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111911 499865232 /nfs/dbraw/zinc/86/52/32/499865232.db2.gz RJUMFILJQJWXKV-FGZHOGPDSA-N 2 1 373.585 3.363 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000415201389 499876486 /nfs/dbraw/zinc/87/64/86/499876486.db2.gz KOXQAMDGNSJJPC-UYAOXDASSA-N 2 1 355.526 3.126 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000415899133 499925882 /nfs/dbraw/zinc/92/58/82/499925882.db2.gz JATZQHMUTHAVDL-LPHOPBHVSA-N 2 1 352.482 3.191 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000415910882 499927300 /nfs/dbraw/zinc/92/73/00/499927300.db2.gz CKVSLFMZNBGXCB-PMACEKPBSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000415914198 499927897 /nfs/dbraw/zinc/92/78/97/499927897.db2.gz VENOQUSKLSJINL-UHFFFAOYSA-N 2 1 354.498 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000415917881 499928277 /nfs/dbraw/zinc/92/82/77/499928277.db2.gz JTRBXJZDWFTEDG-UZLBHIALSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000415933890 499930168 /nfs/dbraw/zinc/93/01/68/499930168.db2.gz QRLCNMUOFBRCJR-SFHVURJKSA-N 2 1 366.509 3.392 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000415934177 499930317 /nfs/dbraw/zinc/93/03/17/499930317.db2.gz RMBNTVLFAIRNRZ-UHFFFAOYSA-N 2 1 358.486 3.375 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000416014852 499941059 /nfs/dbraw/zinc/94/10/59/499941059.db2.gz SVTGBVMLHWOMQT-LJQANCHMSA-N 2 1 352.482 3.050 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417033873 499953496 /nfs/dbraw/zinc/95/34/96/499953496.db2.gz GAJNOQMQCGWMOL-GOSISDBHSA-N 2 1 352.567 3.192 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417041316 499955713 /nfs/dbraw/zinc/95/57/13/499955713.db2.gz KZWXILWXSCFCMM-AZUAARDMSA-N 2 1 360.546 3.420 20 0 FGADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417220408 500009267 /nfs/dbraw/zinc/00/92/67/500009267.db2.gz NYFGDAKAXXWJPW-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000421377336 500032178 /nfs/dbraw/zinc/03/21/78/500032178.db2.gz RHDPOBSIDYNSBC-UHFFFAOYSA-N 2 1 371.569 3.467 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286685 500042938 /nfs/dbraw/zinc/04/29/38/500042938.db2.gz KFEBPNRCRBMNIL-DOTOQJQBSA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286685 500042942 /nfs/dbraw/zinc/04/29/42/500042942.db2.gz KFEBPNRCRBMNIL-DOTOQJQBSA-N 2 1 367.331 3.117 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384526 500055663 /nfs/dbraw/zinc/05/56/63/500055663.db2.gz QLBRCTPPIHMKRZ-ICSRJNTNSA-N 2 1 360.542 3.054 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc1 ZINC000417388843 500057859 /nfs/dbraw/zinc/05/78/59/500057859.db2.gz WLFMQSYKKOBSMY-MRXNPFEDSA-N 2 1 357.498 3.399 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000417408514 500064756 /nfs/dbraw/zinc/06/47/56/500064756.db2.gz UKEAAZUKHASPTG-UHFFFAOYSA-N 2 1 368.525 3.199 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CCCC1 ZINC000417505788 500092376 /nfs/dbraw/zinc/09/23/76/500092376.db2.gz KQPKBRHGOYNKIV-FQEVSTJZSA-N 2 1 354.498 3.013 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425435737 500106132 /nfs/dbraw/zinc/10/61/32/500106132.db2.gz UHLJQZIJGVEUAZ-ICSRJNTNSA-N 2 1 368.525 3.370 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425435737 500106133 /nfs/dbraw/zinc/10/61/33/500106133.db2.gz UHLJQZIJGVEUAZ-ICSRJNTNSA-N 2 1 368.525 3.370 20 0 FGADMP C[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000417589889 500119560 /nfs/dbraw/zinc/11/95/60/500119560.db2.gz QQILKXSERXIXFK-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000421837030 500161653 /nfs/dbraw/zinc/16/16/53/500161653.db2.gz RVTFKJLDKAJJKC-BTYIYWSLSA-N 2 1 362.489 3.376 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000416966135 500167982 /nfs/dbraw/zinc/16/79/82/500167982.db2.gz FADVJWZJWPCYRJ-QMMLZNLJSA-N 2 1 372.557 3.235 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)C1 ZINC000416966702 500168682 /nfs/dbraw/zinc/16/86/82/500168682.db2.gz FXWDTMNHZZHKOV-ICSRJNTNSA-N 2 1 372.557 3.189 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416969160 500169223 /nfs/dbraw/zinc/16/92/23/500169223.db2.gz KIBQNYVLVUSNOD-MSOLQXFVSA-N 2 1 360.546 3.235 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000416969831 500170185 /nfs/dbraw/zinc/17/01/85/500170185.db2.gz LNISEPCOXBOARP-UHFFFAOYSA-N 2 1 360.546 3.378 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416972367 500171740 /nfs/dbraw/zinc/17/17/40/500171740.db2.gz RRVFISJZHDCZKL-MOPGFXCFSA-N 2 1 372.557 3.107 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000417852956 500184302 /nfs/dbraw/zinc/18/43/02/500184302.db2.gz HSGWBLAMMUUCRP-ZVZYQTTQSA-N 2 1 355.486 3.058 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000417860998 500186716 /nfs/dbraw/zinc/18/67/16/500186716.db2.gz WUOIMSILQDOQOI-POZUXBRTSA-N 2 1 355.486 3.058 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000417878087 500189772 /nfs/dbraw/zinc/18/97/72/500189772.db2.gz OQJNGSVLMKGIHT-NHCUHLMSSA-N 2 1 372.557 3.202 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CCC([NH3+])CC2)c1 ZINC000417879424 500190190 /nfs/dbraw/zinc/19/01/90/500190190.db2.gz PNONHQKDKJIGPG-UHFFFAOYSA-N 2 1 360.546 3.378 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)C(C3CCC3)C3CCC3)CC2)CC1 ZINC000422013344 500198092 /nfs/dbraw/zinc/19/80/92/500198092.db2.gz FGLFCPQONKKHBW-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP CCn1cncc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000417978521 500208135 /nfs/dbraw/zinc/20/81/35/500208135.db2.gz YKUBDMKQECCIRI-KDURUIRLSA-N 2 1 370.541 3.202 20 0 FGADMP CN(C)C(=O)c1ccccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000417979107 500208150 /nfs/dbraw/zinc/20/81/50/500208150.db2.gz DULYNROBXFNNET-UHFFFAOYSA-N 2 1 366.509 3.132 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417984130 500209386 /nfs/dbraw/zinc/20/93/86/500209386.db2.gz OMGCILFJCWKMGD-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418025433 500215975 /nfs/dbraw/zinc/21/59/75/500215975.db2.gz DNCYUNXGLFBTAR-OAQYLSRUSA-N 2 1 374.573 3.174 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000579474977 506183656 /nfs/dbraw/zinc/18/36/56/506183656.db2.gz YXUJUPXUNIRJDY-XKQJLSEDSA-N 2 1 370.324 3.011 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000430373237 500232541 /nfs/dbraw/zinc/23/25/41/500232541.db2.gz DSVQPCLYMTWRTH-MOPGFXCFSA-N 2 1 372.557 3.436 20 0 FGADMP CCCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000418166626 500240986 /nfs/dbraw/zinc/24/09/86/500240986.db2.gz ZOAYIYZIGQDAAG-PMACEKPBSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179583 500243533 /nfs/dbraw/zinc/24/35/33/500243533.db2.gz JNJGACBGSKTACB-YJBOKZPZSA-N 2 1 366.937 3.022 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430561215 500254626 /nfs/dbraw/zinc/25/46/26/500254626.db2.gz ZFEXUEGTMJUTRZ-GFCCVEGCSA-N 2 1 374.312 3.150 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574794 500256239 /nfs/dbraw/zinc/25/62/39/500256239.db2.gz UFCTXQCYEGVNBT-TZMCWYRMSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574794 500256243 /nfs/dbraw/zinc/25/62/43/500256243.db2.gz UFCTXQCYEGVNBT-TZMCWYRMSA-N 2 1 358.313 3.011 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430587477 500259293 /nfs/dbraw/zinc/25/92/93/500259293.db2.gz WDLBMEVSGBUBRV-LMNJBCLMSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430587477 500259296 /nfs/dbraw/zinc/25/92/96/500259296.db2.gz WDLBMEVSGBUBRV-LMNJBCLMSA-N 2 1 373.541 3.198 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615479 500262113 /nfs/dbraw/zinc/26/21/13/500262113.db2.gz BRMWPGGDHXWHNQ-ABAIWWIYSA-N 2 1 372.282 3.119 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615479 500262114 /nfs/dbraw/zinc/26/21/14/500262114.db2.gz BRMWPGGDHXWHNQ-ABAIWWIYSA-N 2 1 372.282 3.119 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418355396 500267802 /nfs/dbraw/zinc/26/78/02/500267802.db2.gz BKEMAOPBRKTFES-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418409479 500273242 /nfs/dbraw/zinc/27/32/42/500273242.db2.gz AIESOVRXSNWKAR-SXLOBPIMSA-N 2 1 360.546 3.054 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000422562036 500274872 /nfs/dbraw/zinc/27/48/72/500274872.db2.gz PBFILSZGJCCQDB-HLIPFELVSA-N 2 1 369.509 3.474 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418429713 500275348 /nfs/dbraw/zinc/27/53/48/500275348.db2.gz SMTWLQFEFLLAGL-QGZVFWFLSA-N 2 1 352.567 3.190 20 0 FGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OCC(=O)N1CCCC1 ZINC000422699648 500287055 /nfs/dbraw/zinc/28/70/55/500287055.db2.gz AWQWXRANMAMBCH-NHJHPMQKSA-N 2 1 371.525 3.012 20 0 FGADMP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418526424 500287529 /nfs/dbraw/zinc/28/75/29/500287529.db2.gz ZTAODMXVQWDQBF-AZUAARDMSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422711822 500288600 /nfs/dbraw/zinc/28/86/00/500288600.db2.gz NIILPALPNPJJBC-JPYJTQIMSA-N 2 1 368.521 3.430 20 0 FGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)(N(C)C)C1 ZINC000422738415 500292674 /nfs/dbraw/zinc/29/26/74/500292674.db2.gz JBLBUSFGKCLXOT-HQMSXXKGSA-N 2 1 357.542 3.342 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760334 500295360 /nfs/dbraw/zinc/29/53/60/500295360.db2.gz LVGLBPWIGAXSFA-CBPXPLCBSA-N 2 1 357.542 3.342 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000418654044 500301692 /nfs/dbraw/zinc/30/16/92/500301692.db2.gz BKQRUNNNKDCQML-HXUWFJFHSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422843701 500304794 /nfs/dbraw/zinc/30/47/94/500304794.db2.gz JFTZXZZADUWEDD-HMXCVIKNSA-N 2 1 357.542 3.121 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422874813 500309009 /nfs/dbraw/zinc/30/90/09/500309009.db2.gz DGFHINUXFQRWBU-YJSIEXFISA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422874813 500309011 /nfs/dbraw/zinc/30/90/11/500309011.db2.gz DGFHINUXFQRWBU-YJSIEXFISA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422874813 500309012 /nfs/dbraw/zinc/30/90/12/500309012.db2.gz DGFHINUXFQRWBU-YJSIEXFISA-N 2 1 371.569 3.308 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422935991 500319838 /nfs/dbraw/zinc/31/98/38/500319838.db2.gz LNKCBZNVHSURFE-LLVKDONJSA-N 2 1 364.287 3.471 20 0 FGADMP CCC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000431100695 500336037 /nfs/dbraw/zinc/33/60/37/500336037.db2.gz NPRQGAPUCPZPME-UHFFFAOYSA-N 2 1 373.541 3.088 20 0 FGADMP CCC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)C1CC[NH2+]CC1 ZINC000431100695 500336039 /nfs/dbraw/zinc/33/60/39/500336039.db2.gz NPRQGAPUCPZPME-UHFFFAOYSA-N 2 1 373.541 3.088 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099291 500341919 /nfs/dbraw/zinc/34/19/19/500341919.db2.gz FIHLAUOHAQKFMI-AABGKKOBSA-N 2 1 365.949 3.080 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101492 500342387 /nfs/dbraw/zinc/34/23/87/500342387.db2.gz IYLILIVNMLWSGZ-FCHUYYIVSA-N 3 1 351.494 3.394 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCCC[NH2+]1 ZINC000423158746 500349870 /nfs/dbraw/zinc/34/98/70/500349870.db2.gz XDYNSIKSKMGUNH-XUWXXGDYSA-N 2 1 360.452 3.263 20 0 FGADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423237895 500357637 /nfs/dbraw/zinc/35/76/37/500357637.db2.gz QIYWKPJDTBFIFP-ZYHUDNBSSA-N 2 1 363.811 3.418 20 0 FGADMP C[N@@H+](CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000423309479 500363350 /nfs/dbraw/zinc/36/33/50/500363350.db2.gz LLODACSTFBEARL-HXUWFJFHSA-N 2 1 353.510 3.351 20 0 FGADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314768 500363561 /nfs/dbraw/zinc/36/35/61/500363561.db2.gz HRRHUIKZNRWAQX-QRWLVFNGSA-N 2 1 350.466 3.301 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1C[NH+](C)C ZINC000573422343 506191341 /nfs/dbraw/zinc/19/13/41/506191341.db2.gz ALDFXDLYNWCODI-HXUWFJFHSA-N 2 1 366.509 3.302 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423340692 500365517 /nfs/dbraw/zinc/36/55/17/500365517.db2.gz SZBFURXRSUNJMH-YMZLFWGNSA-N 2 1 374.525 3.242 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]([NH3+])CC2CCCCC2)cc1F ZINC000423357121 500366660 /nfs/dbraw/zinc/36/66/60/500366660.db2.gz HUIFWYIMZKAUPE-GOSISDBHSA-N 2 1 358.461 3.234 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000423356494 500366666 /nfs/dbraw/zinc/36/66/66/500366666.db2.gz JYPIZLSPXGYVFX-HZPDHXFCSA-N 2 1 357.523 3.410 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423366811 500367782 /nfs/dbraw/zinc/36/77/82/500367782.db2.gz CHOOADZIBBIAAK-DYXWJJEUSA-N 2 1 372.534 3.347 20 0 FGADMP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423485282 500378260 /nfs/dbraw/zinc/37/82/60/500378260.db2.gz AYSWLYJZSADYBW-IAQYHMDHSA-N 2 1 359.695 3.058 20 0 FGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500045 500379066 /nfs/dbraw/zinc/37/90/66/500379066.db2.gz CNZCZCFNQVLMPB-SLFFLAALSA-N 2 1 354.494 3.370 20 0 FGADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCC2 ZINC000423505407 500379869 /nfs/dbraw/zinc/37/98/69/500379869.db2.gz HRGKXZSTYTYHPA-QETWGEEDSA-N 2 1 369.553 3.195 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000570546046 506192622 /nfs/dbraw/zinc/19/26/22/506192622.db2.gz VILJNXOFARXORG-UYAOXDASSA-N 2 1 368.456 3.038 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000423768923 500400181 /nfs/dbraw/zinc/40/01/81/500400181.db2.gz BQCXAGNMEOGFOH-MOPGFXCFSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000431639521 500401605 /nfs/dbraw/zinc/40/16/05/500401605.db2.gz XZIUUOHJRMIROO-SFTDATJTSA-N 2 1 351.494 3.195 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000431639521 500401608 /nfs/dbraw/zinc/40/16/08/500401608.db2.gz XZIUUOHJRMIROO-SFTDATJTSA-N 2 1 351.494 3.195 20 0 FGADMP CC[C@@H]1CN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000423820920 500406214 /nfs/dbraw/zinc/40/62/14/500406214.db2.gz HLHHIWOLVFAHRA-LAUBAEHRSA-N 2 1 351.494 3.443 20 0 FGADMP C[C@@]1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC[NH2+]1 ZINC000423856580 500413006 /nfs/dbraw/zinc/41/30/06/500413006.db2.gz XBPDSJSFMXMMBY-NRFANRHFSA-N 2 1 355.526 3.033 20 0 FGADMP CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@@H](C)[NH3+] ZINC000423856412 500413222 /nfs/dbraw/zinc/41/32/22/500413222.db2.gz WUWGJFAOIAUCDV-QUCCMNQESA-N 2 1 357.542 3.121 20 0 FGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000427694829 500421706 /nfs/dbraw/zinc/42/17/06/500421706.db2.gz DVWJCHLCPMLPRU-XZOQPEGZSA-N 2 1 352.522 3.480 20 0 FGADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000427694829 500421709 /nfs/dbraw/zinc/42/17/09/500421709.db2.gz DVWJCHLCPMLPRU-XZOQPEGZSA-N 2 1 352.522 3.480 20 0 FGADMP CC[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000423981770 500429264 /nfs/dbraw/zinc/42/92/64/500429264.db2.gz XKQXYVWSZLMYSN-SFHVURJKSA-N 2 1 372.538 3.459 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)C[C@H]21 ZINC000420299947 500436365 /nfs/dbraw/zinc/43/63/65/500436365.db2.gz BYHRAXCUBGWFPG-IUIKQTSFSA-N 2 1 357.267 3.026 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000420300090 500436721 /nfs/dbraw/zinc/43/67/21/500436721.db2.gz HCKWLHIJKKOJQR-FQEVSTJZSA-N 2 1 352.478 3.332 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@@H]12 ZINC000420301455 500437602 /nfs/dbraw/zinc/43/76/02/500437602.db2.gz DUOLAVALFHXYOG-XLNTUCKNSA-N 2 1 353.441 3.175 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)C[C@@H]12 ZINC000420301455 500437604 /nfs/dbraw/zinc/43/76/04/500437604.db2.gz DUOLAVALFHXYOG-XLNTUCKNSA-N 2 1 353.441 3.175 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000420313313 500439977 /nfs/dbraw/zinc/43/99/77/500439977.db2.gz XXSOXRVPMIDUAK-VQTJNVASSA-N 2 1 354.494 3.453 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000420321623 500440932 /nfs/dbraw/zinc/44/09/32/500440932.db2.gz DCQXKVJUXNMGFO-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000420321623 500440934 /nfs/dbraw/zinc/44/09/34/500440934.db2.gz DCQXKVJUXNMGFO-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420338351 500444052 /nfs/dbraw/zinc/44/40/52/500444052.db2.gz XUYGNTUYAMQKHA-HUUCEWRRSA-N 2 1 353.304 3.149 20 0 FGADMP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573445402 506195795 /nfs/dbraw/zinc/19/57/95/506195795.db2.gz XFXFZDYZEZWANW-NRFANRHFSA-N 3 1 371.569 3.009 20 0 FGADMP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573445402 506195798 /nfs/dbraw/zinc/19/57/98/506195798.db2.gz XFXFZDYZEZWANW-NRFANRHFSA-N 3 1 371.569 3.009 20 0 FGADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccs1 ZINC000420337492 500444144 /nfs/dbraw/zinc/44/41/44/500444144.db2.gz NOWKUNCHTJYXCR-LPHOPBHVSA-N 2 1 363.571 3.416 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337875 500444167 /nfs/dbraw/zinc/44/41/67/500444167.db2.gz KFOCBANVGPWZKX-PWIZWCRZSA-N 2 1 357.542 3.460 20 0 FGADMP Fc1ccccc1Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420346927 500446380 /nfs/dbraw/zinc/44/63/80/500446380.db2.gz FCLBZDQXJKATKV-KRWDZBQOSA-N 2 1 373.447 3.237 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000420376744 500450306 /nfs/dbraw/zinc/45/03/06/500450306.db2.gz KERUDTBAIJNMFR-XLIONFOSSA-N 2 1 359.445 3.199 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420377854 500451006 /nfs/dbraw/zinc/45/10/06/500451006.db2.gz LKKUYEOXXGOEFH-TZIWHRDSSA-N 2 1 360.498 3.006 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397143 500455248 /nfs/dbraw/zinc/45/52/48/500455248.db2.gz MOTIUWYPWYLJNV-VQTJNVASSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397143 500455252 /nfs/dbraw/zinc/45/52/52/500455252.db2.gz MOTIUWYPWYLJNV-VQTJNVASSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397139 500455493 /nfs/dbraw/zinc/45/54/93/500455493.db2.gz MOTIUWYPWYLJNV-PMACEKPBSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397139 500455495 /nfs/dbraw/zinc/45/54/95/500455495.db2.gz MOTIUWYPWYLJNV-PMACEKPBSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421305 500458389 /nfs/dbraw/zinc/45/83/89/500458389.db2.gz YQJVCVWLQOALRJ-LSTDLKDCSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421305 500458392 /nfs/dbraw/zinc/45/83/92/500458392.db2.gz YQJVCVWLQOALRJ-LSTDLKDCSA-N 2 1 353.510 3.322 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCc3ccc4c(c3)OCCO4)C1)CCCC2 ZINC000432113101 500471361 /nfs/dbraw/zinc/47/13/61/500471361.db2.gz FKQGJWKEVCLBCP-GOSISDBHSA-N 2 1 367.493 3.331 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCc3ccc4c(c3)OCCO4)C1)CCCC2 ZINC000432113101 500471363 /nfs/dbraw/zinc/47/13/63/500471363.db2.gz FKQGJWKEVCLBCP-GOSISDBHSA-N 2 1 367.493 3.331 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625850 506200654 /nfs/dbraw/zinc/20/06/54/506200654.db2.gz TWYNIDJCDPSWQM-TZIWHRDSSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625850 506200657 /nfs/dbraw/zinc/20/06/57/506200657.db2.gz TWYNIDJCDPSWQM-TZIWHRDSSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625850 506200660 /nfs/dbraw/zinc/20/06/60/506200660.db2.gz TWYNIDJCDPSWQM-TZIWHRDSSA-N 2 1 364.489 3.412 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccccc1Br)CC[NH2+]CC2 ZINC000424292139 500482559 /nfs/dbraw/zinc/48/25/59/500482559.db2.gz OFUAEGZOXDIKSZ-AWEZNQCLSA-N 2 1 353.304 3.292 20 0 FGADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000428312183 500494583 /nfs/dbraw/zinc/49/45/83/500494583.db2.gz VOANPFOAUOXFBX-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625850 506200663 /nfs/dbraw/zinc/20/06/63/506200663.db2.gz TWYNIDJCDPSWQM-TZIWHRDSSA-N 2 1 364.489 3.412 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000424429841 500503809 /nfs/dbraw/zinc/50/38/09/500503809.db2.gz XWSSVILNYIPRCQ-OAQYLSRUSA-N 2 1 366.509 3.486 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420828192 500511238 /nfs/dbraw/zinc/51/12/38/500511238.db2.gz DCPBLFAKCNTILW-CBNMVNINSA-N 2 1 374.573 3.315 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432411599 500513048 /nfs/dbraw/zinc/51/30/48/500513048.db2.gz ZNHSAIMBAMJDPE-CVEARBPZSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432411599 500513051 /nfs/dbraw/zinc/51/30/51/500513051.db2.gz ZNHSAIMBAMJDPE-CVEARBPZSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432411601 500513107 /nfs/dbraw/zinc/51/31/07/500513107.db2.gz ZNHSAIMBAMJDPE-HZPDHXFCSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432411601 500513108 /nfs/dbraw/zinc/51/31/08/500513108.db2.gz ZNHSAIMBAMJDPE-HZPDHXFCSA-N 2 1 369.347 3.471 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853217 500515689 /nfs/dbraw/zinc/51/56/89/500515689.db2.gz XWVDKICXVLPMHN-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853217 500515692 /nfs/dbraw/zinc/51/56/92/500515692.db2.gz XWVDKICXVLPMHN-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1COc2ccccc21 ZINC000420912904 500528782 /nfs/dbraw/zinc/52/87/82/500528782.db2.gz AEYAOWADPKKBLP-UWJYYQICSA-N 2 1 352.478 3.173 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000428597132 500531520 /nfs/dbraw/zinc/53/15/20/500531520.db2.gz QDNBAMCRVOAOPF-HXUWFJFHSA-N 2 1 351.494 3.048 20 0 FGADMP CC[C@@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929902 500533494 /nfs/dbraw/zinc/53/34/94/500533494.db2.gz DKYXQNYUTBGPBN-HSZRJFAPSA-N 2 1 368.521 3.292 20 0 FGADMP CC[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929902 500533497 /nfs/dbraw/zinc/53/34/97/500533497.db2.gz DKYXQNYUTBGPBN-HSZRJFAPSA-N 2 1 368.521 3.292 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953682 500539493 /nfs/dbraw/zinc/53/94/93/500539493.db2.gz UANOPDWOCXJEAM-DOTOQJQBSA-N 2 1 371.447 3.070 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953682 500539495 /nfs/dbraw/zinc/53/94/95/500539495.db2.gz UANOPDWOCXJEAM-DOTOQJQBSA-N 2 1 371.447 3.070 20 0 FGADMP CC(CC[NH+]1CCC[C@@H](CCO)CC1)CC[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421015989 500555086 /nfs/dbraw/zinc/55/50/86/500555086.db2.gz LXURDWRTLCXYAB-FGZHOGPDSA-N 2 1 368.606 3.372 20 0 FGADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432781486 500562815 /nfs/dbraw/zinc/56/28/15/500562815.db2.gz OMSOOYQDNPCNSL-UHFFFAOYSA-N 2 1 356.518 3.236 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(C(C)(C)C)[nH]1 ZINC000432781486 500562817 /nfs/dbraw/zinc/56/28/17/500562817.db2.gz OMSOOYQDNPCNSL-UHFFFAOYSA-N 2 1 356.518 3.236 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000447535290 500619552 /nfs/dbraw/zinc/61/95/52/500619552.db2.gz DZTBZXOJANZEFV-FNCFORQESA-N 2 1 358.526 3.199 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759107 500621046 /nfs/dbraw/zinc/62/10/46/500621046.db2.gz KGBLOTJWSGHTKQ-SJORKVTESA-N 2 1 353.466 3.477 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759101 500621435 /nfs/dbraw/zinc/62/14/35/500621435.db2.gz KGBLOTJWSGHTKQ-DLBZAZTESA-N 2 1 353.466 3.477 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCC ZINC000442870613 500636813 /nfs/dbraw/zinc/63/68/13/500636813.db2.gz GGZSIQMLIQTPTK-KRWDZBQOSA-N 2 1 363.546 3.161 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000442917670 500646310 /nfs/dbraw/zinc/64/63/10/500646310.db2.gz BBMZERBJNXGJGO-AWEZNQCLSA-N 2 1 352.404 3.452 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433212038 500648579 /nfs/dbraw/zinc/64/85/79/500648579.db2.gz DVRRQUPMOUBADX-FQEVSTJZSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000447821338 500670408 /nfs/dbraw/zinc/67/04/08/500670408.db2.gz KJMUQBXUIAPCLP-LJQANCHMSA-N 2 1 365.521 3.358 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072493 500674323 /nfs/dbraw/zinc/67/43/23/500674323.db2.gz NOBGTMINJIRYQL-QWHCGFSZSA-N 2 1 358.313 3.231 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433558087 500711697 /nfs/dbraw/zinc/71/16/97/500711697.db2.gz AKLYERWYNGFWCM-OAQYLSRUSA-N 2 1 370.541 3.099 20 0 FGADMP Cc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000443633953 500747020 /nfs/dbraw/zinc/74/70/20/500747020.db2.gz WRTPWSOEJDMQTN-GJZGRUSLSA-N 2 1 351.560 3.471 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159874 500747954 /nfs/dbraw/zinc/74/79/54/500747954.db2.gz UMDBZKIEPNYZOT-UYAOXDASSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438159874 500747956 /nfs/dbraw/zinc/74/79/56/500747956.db2.gz UMDBZKIEPNYZOT-UYAOXDASSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438159874 500747959 /nfs/dbraw/zinc/74/79/59/500747959.db2.gz UMDBZKIEPNYZOT-UYAOXDASSA-N 2 1 364.578 3.157 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438327295 500770435 /nfs/dbraw/zinc/77/04/35/500770435.db2.gz LNUFYWKQQPZGQZ-AZUAARDMSA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327295 500770436 /nfs/dbraw/zinc/77/04/36/500770436.db2.gz LNUFYWKQQPZGQZ-AZUAARDMSA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327295 500770437 /nfs/dbraw/zinc/77/04/37/500770437.db2.gz LNUFYWKQQPZGQZ-AZUAARDMSA-N 2 1 364.578 3.299 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438343722 500773815 /nfs/dbraw/zinc/77/38/15/500773815.db2.gz DBWGHLOJAQULBG-HXUWFJFHSA-N 2 1 364.578 3.299 20 0 FGADMP CN1CC[N@@H+](C)C[C@@H]1CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000434099712 500795155 /nfs/dbraw/zinc/79/51/55/500795155.db2.gz KKIIOUAVUMEGPD-KRWDZBQOSA-N 2 1 362.477 3.107 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438571823 500803231 /nfs/dbraw/zinc/80/32/31/500803231.db2.gz BFKPROQUCDEGNR-LEWJYISDSA-N 2 1 355.526 3.347 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444693 500843930 /nfs/dbraw/zinc/84/39/30/500843930.db2.gz KRHQUMVTDQWZSR-SFTDATJTSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444693 500843932 /nfs/dbraw/zinc/84/39/32/500843932.db2.gz KRHQUMVTDQWZSR-SFTDATJTSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000434444693 500843936 /nfs/dbraw/zinc/84/39/36/500843936.db2.gz KRHQUMVTDQWZSR-SFTDATJTSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000434444693 500843941 /nfs/dbraw/zinc/84/39/41/500843941.db2.gz KRHQUMVTDQWZSR-SFTDATJTSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682705 500878963 /nfs/dbraw/zinc/87/89/63/500878963.db2.gz DCEWTIQEIHXXEE-KURKYZTESA-N 2 1 372.557 3.292 20 0 FGADMP COC(=O)c1ccccc1CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688416 500879523 /nfs/dbraw/zinc/87/95/23/500879523.db2.gz LUBYBYDVUYZTRT-UHFFFAOYSA-N 2 1 367.493 3.428 20 0 FGADMP COc1ccc(OCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434691387 500880115 /nfs/dbraw/zinc/88/01/15/500880115.db2.gz QOROXSMSRULFBR-UHFFFAOYSA-N 2 1 355.482 3.486 20 0 FGADMP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000434709837 500882352 /nfs/dbraw/zinc/88/23/52/500882352.db2.gz VXTTVBNNSMSLMT-DYESRHJHSA-N 2 1 351.494 3.189 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449047542 500910895 /nfs/dbraw/zinc/91/08/95/500910895.db2.gz QXDZAERUHHJIHD-OALUTQOASA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449047542 500910896 /nfs/dbraw/zinc/91/08/96/500910896.db2.gz QXDZAERUHHJIHD-OALUTQOASA-N 2 1 359.514 3.330 20 0 FGADMP C[C@@H](C[NH2+]CC1([NH+](C)C)CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061567 500914279 /nfs/dbraw/zinc/91/42/79/500914279.db2.gz WCQLMSDYRDQHFN-INIZCTEOSA-N 2 1 352.544 3.048 20 0 FGADMP C[C@@H](C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081920 500920430 /nfs/dbraw/zinc/92/04/30/500920430.db2.gz IYXSIDSKFGQRCG-OXJNMPFZSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449086167 500921589 /nfs/dbraw/zinc/92/15/89/500921589.db2.gz QRSVKOOPUXYHAW-MBOZVWFJSA-N 2 1 366.571 3.294 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(CS(C)(=O)=O)CC2)CC1 ZINC000449181459 500942194 /nfs/dbraw/zinc/94/21/94/500942194.db2.gz HNFRUQXILDSAPM-UHFFFAOYSA-N 2 1 358.592 3.080 20 0 FGADMP C[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233773 500953901 /nfs/dbraw/zinc/95/39/01/500953901.db2.gz MZIIQRDZJRQHDX-QVKFZJNVSA-N 2 1 360.448 3.425 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435370232 500961576 /nfs/dbraw/zinc/96/15/76/500961576.db2.gz IBIYOHVLUZOXSH-YJBOKZPZSA-N 2 1 353.466 3.117 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@@H](C[NH3+])C[C@H]4C)cc3)nc12 ZINC000435375408 500962390 /nfs/dbraw/zinc/96/23/90/500962390.db2.gz UXIRBTGNXWXYOW-IEBWSBKVSA-N 2 1 364.493 3.391 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373666 500962617 /nfs/dbraw/zinc/96/26/17/500962617.db2.gz NWZLTAQILDHRET-PKOBYXMFSA-N 2 1 361.493 3.163 20 0 FGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435384174 500964582 /nfs/dbraw/zinc/96/45/82/500964582.db2.gz KWXSYGJXKQFCJF-LJQANCHMSA-N 2 1 361.493 3.035 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000435384174 500964585 /nfs/dbraw/zinc/96/45/85/500964585.db2.gz KWXSYGJXKQFCJF-LJQANCHMSA-N 2 1 361.493 3.035 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387050 500965829 /nfs/dbraw/zinc/96/58/29/500965829.db2.gz WPKBWLTWZDYLFZ-PKOBYXMFSA-N 2 1 361.493 3.494 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)c2)cc1 ZINC000435395071 500967738 /nfs/dbraw/zinc/96/77/38/500967738.db2.gz QTMGQIWTLVXONJ-FOIQADDNSA-N 2 1 353.466 3.117 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)c2)cc1 ZINC000435395071 500967740 /nfs/dbraw/zinc/96/77/40/500967740.db2.gz QTMGQIWTLVXONJ-FOIQADDNSA-N 2 1 353.466 3.117 20 0 FGADMP CCn1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1=O ZINC000449291865 500968514 /nfs/dbraw/zinc/96/85/14/500968514.db2.gz ODAYUMNREMACGD-SFHVURJKSA-N 2 1 353.510 3.053 20 0 FGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@@H](C)c1cc(F)cc(F)c1 ZINC000449330024 500979569 /nfs/dbraw/zinc/97/95/69/500979569.db2.gz REKQULPBZDUSLL-QGZVFWFLSA-N 2 1 353.501 3.418 20 0 FGADMP Cc1ncsc1C[N@@H+](C[C@@H](C)CC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000435449756 500980223 /nfs/dbraw/zinc/98/02/23/500980223.db2.gz VTOKXHKOJGXVFU-YJBOKZPZSA-N 2 1 351.560 3.316 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345437 500982987 /nfs/dbraw/zinc/98/29/87/500982987.db2.gz VNGQRBSRRGYBNJ-AVRDEDQJSA-N 2 1 365.521 3.288 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000440182954 500985090 /nfs/dbraw/zinc/98/50/90/500985090.db2.gz FFWHSHODRFVBCF-AQNXPRMDSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000440182954 500985092 /nfs/dbraw/zinc/98/50/92/500985092.db2.gz FFWHSHODRFVBCF-AQNXPRMDSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000440182954 500985095 /nfs/dbraw/zinc/98/50/95/500985095.db2.gz FFWHSHODRFVBCF-AQNXPRMDSA-N 2 1 364.578 3.154 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615641 501002623 /nfs/dbraw/zinc/00/26/23/501002623.db2.gz ILOOEONGHJXSKG-YJBOKZPZSA-N 2 1 351.560 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615641 501002624 /nfs/dbraw/zinc/00/26/24/501002624.db2.gz ILOOEONGHJXSKG-YJBOKZPZSA-N 2 1 351.560 3.416 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)[C@H](CO)c1ccccc1)C1CC[NH+](C)CC1 ZINC000449456873 501007311 /nfs/dbraw/zinc/00/73/11/501007311.db2.gz TVQAGRPACRCMMT-HSZRJFAPSA-N 2 1 367.537 3.382 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435680134 501010824 /nfs/dbraw/zinc/01/08/24/501010824.db2.gz CBBBEYZFBWOXDO-HXUWFJFHSA-N 2 1 352.526 3.480 20 0 FGADMP CN(C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435698232 501014287 /nfs/dbraw/zinc/01/42/87/501014287.db2.gz VNPBBARRPSFXKQ-LJQANCHMSA-N 2 1 369.534 3.355 20 0 FGADMP CN(C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435698232 501014290 /nfs/dbraw/zinc/01/42/90/501014290.db2.gz VNPBBARRPSFXKQ-LJQANCHMSA-N 2 1 369.534 3.355 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491805 501016346 /nfs/dbraw/zinc/01/63/46/501016346.db2.gz AMISXVDJJSPEBQ-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491805 501016347 /nfs/dbraw/zinc/01/63/47/501016347.db2.gz AMISXVDJJSPEBQ-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491805 501016349 /nfs/dbraw/zinc/01/63/49/501016349.db2.gz AMISXVDJJSPEBQ-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000449491805 501016350 /nfs/dbraw/zinc/01/63/50/501016350.db2.gz AMISXVDJJSPEBQ-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501679 501019589 /nfs/dbraw/zinc/01/95/89/501019589.db2.gz OCSWDLXKSBFUCY-PMVMPFDFSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501679 501019591 /nfs/dbraw/zinc/01/95/91/501019591.db2.gz OCSWDLXKSBFUCY-PMVMPFDFSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501679 501019592 /nfs/dbraw/zinc/01/95/92/501019592.db2.gz OCSWDLXKSBFUCY-PMVMPFDFSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501679 501019594 /nfs/dbraw/zinc/01/95/94/501019594.db2.gz OCSWDLXKSBFUCY-PMVMPFDFSA-N 2 1 369.553 3.056 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CCCO1 ZINC000435787338 501028678 /nfs/dbraw/zinc/02/86/78/501028678.db2.gz ZXTXDODMKBPZQD-IBGZPJMESA-N 2 1 368.525 3.440 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CCCO1 ZINC000435787338 501028680 /nfs/dbraw/zinc/02/86/80/501028680.db2.gz ZXTXDODMKBPZQD-IBGZPJMESA-N 2 1 368.525 3.440 20 0 FGADMP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+][C@@H]2CC[N@H+]4CCC[C@@H]4C2)C3)c(F)c1 ZINC000449548438 501030474 /nfs/dbraw/zinc/03/04/74/501030474.db2.gz NHYRWEMDCXTTIW-IXDOHACOSA-N 2 1 372.463 3.360 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000440670722 501037250 /nfs/dbraw/zinc/03/72/50/501037250.db2.gz NQNKIGANCCSFEX-FYQPLNBISA-N 2 1 357.542 3.371 20 0 FGADMP c1cncc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)c1 ZINC000436288095 501102166 /nfs/dbraw/zinc/10/21/66/501102166.db2.gz UVRNHYBKBGZGIX-QFIPXVFZSA-N 2 1 356.558 3.433 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000607721815 506237978 /nfs/dbraw/zinc/23/79/78/506237978.db2.gz VDAPBCUJGQUSAS-IRXDYDNUSA-N 2 1 362.518 3.011 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000436503038 501141331 /nfs/dbraw/zinc/14/13/31/501141331.db2.gz GHWPGJQWYKONGF-PXNSSMCTSA-N 2 1 374.529 3.076 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000436503038 501141334 /nfs/dbraw/zinc/14/13/34/501141334.db2.gz GHWPGJQWYKONGF-PXNSSMCTSA-N 2 1 374.529 3.076 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000436503039 501141811 /nfs/dbraw/zinc/14/18/11/501141811.db2.gz GHWPGJQWYKONGF-XLIONFOSSA-N 2 1 374.529 3.076 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000436503039 501141814 /nfs/dbraw/zinc/14/18/14/501141814.db2.gz GHWPGJQWYKONGF-XLIONFOSSA-N 2 1 374.529 3.076 20 0 FGADMP CC[C@@H]1CCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062311 501168856 /nfs/dbraw/zinc/16/88/56/501168856.db2.gz UAXSPXSDXGDWSE-TZIWHRDSSA-N 2 1 363.590 3.467 20 0 FGADMP Cn1nccc1N1CCC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000447094189 501204612 /nfs/dbraw/zinc/20/46/12/501204612.db2.gz PSNFMKBXCFATOP-HXUWFJFHSA-N 2 1 369.557 3.137 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2cccc(C[N@@H+]3CC[C@@](C)(COC)C3)c2)C1 ZINC000451201474 501251610 /nfs/dbraw/zinc/25/16/10/501251610.db2.gz KEMHKKDTBFVUKY-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000453059830 501260524 /nfs/dbraw/zinc/26/05/24/501260524.db2.gz AOKFNNZEVGTSEG-FQEVSTJZSA-N 2 1 366.553 3.330 20 0 FGADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CO2 ZINC000453066002 501261416 /nfs/dbraw/zinc/26/14/16/501261416.db2.gz XZOHTTWHHKVFKO-HXUWFJFHSA-N 2 1 352.478 3.253 20 0 FGADMP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000453064997 501261633 /nfs/dbraw/zinc/26/16/33/501261633.db2.gz HFWREZKTFHXKDC-JQVVWYNYSA-N 2 1 370.541 3.307 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453083740 501265131 /nfs/dbraw/zinc/26/51/31/501265131.db2.gz GHGYGSOKLWPCGD-WLRLJWMZSA-N 2 1 355.526 3.030 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H](C)n4ccnc43)CC2)cs1 ZINC000453104785 501269831 /nfs/dbraw/zinc/26/98/31/501269831.db2.gz DMTABVTVNFCNKF-YOEHRIQHSA-N 2 1 359.543 3.410 20 0 FGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CC2 ZINC000453140010 501277402 /nfs/dbraw/zinc/27/74/02/501277402.db2.gz FUVRKNHFSGADDB-WAGURGNTSA-N 2 1 350.510 3.300 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)n1 ZINC000453156870 501280894 /nfs/dbraw/zinc/28/08/94/501280894.db2.gz HXOUHMFYFVGOEM-AQNXPRMDSA-N 2 1 354.498 3.343 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CC2 ZINC000453205237 501290824 /nfs/dbraw/zinc/29/08/24/501290824.db2.gz SXQSUXBBFMRAKG-IVAOSVALSA-N 2 1 350.510 3.231 20 0 FGADMP CC[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000457705442 501291727 /nfs/dbraw/zinc/29/17/27/501291727.db2.gz ZJHAMTANGCJLHK-HXUWFJFHSA-N 2 1 374.573 3.243 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453213267 501292623 /nfs/dbraw/zinc/29/26/23/501292623.db2.gz MHXMGFDNGYZNST-VSKRKVRLSA-N 2 1 368.525 3.062 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453213267 501292628 /nfs/dbraw/zinc/29/26/28/501292628.db2.gz MHXMGFDNGYZNST-VSKRKVRLSA-N 2 1 368.525 3.062 20 0 FGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277352 501306057 /nfs/dbraw/zinc/30/60/57/501306057.db2.gz JEFVEFOGSUMPJD-CTAFRAEOSA-N 2 1 369.553 3.311 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533213 501314937 /nfs/dbraw/zinc/31/49/37/501314937.db2.gz VRBOMMAULMNOTG-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533213 501314938 /nfs/dbraw/zinc/31/49/38/501314938.db2.gz VRBOMMAULMNOTG-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533213 501314940 /nfs/dbraw/zinc/31/49/40/501314940.db2.gz VRBOMMAULMNOTG-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533213 501314941 /nfs/dbraw/zinc/31/49/41/501314941.db2.gz VRBOMMAULMNOTG-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533213 501314943 /nfs/dbraw/zinc/31/49/43/501314943.db2.gz VRBOMMAULMNOTG-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCc3ccccc3C)C2)CC1 ZINC000451534903 501316233 /nfs/dbraw/zinc/31/62/33/501316233.db2.gz OBGJBZOZIOSKEA-JOCHJYFZSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCc3ccccc3C)C2)CC1 ZINC000451534903 501316234 /nfs/dbraw/zinc/31/62/34/501316234.db2.gz OBGJBZOZIOSKEA-JOCHJYFZSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCc3ccccc3C)C2)CC1 ZINC000451534903 501316237 /nfs/dbraw/zinc/31/62/37/501316237.db2.gz OBGJBZOZIOSKEA-JOCHJYFZSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCc3ccccc3C)C2)CC1 ZINC000451534903 501316238 /nfs/dbraw/zinc/31/62/38/501316238.db2.gz OBGJBZOZIOSKEA-JOCHJYFZSA-N 2 1 371.569 3.194 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H](C)C1 ZINC000453385961 501323642 /nfs/dbraw/zinc/32/36/42/501323642.db2.gz VJXGRVDMPOKOMD-QEUVDIPISA-N 2 1 361.530 3.028 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000453452357 501335650 /nfs/dbraw/zinc/33/56/50/501335650.db2.gz SCJVJHLGNYRXJT-JQVVWYNYSA-N 2 1 371.569 3.367 20 0 FGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649881 501343927 /nfs/dbraw/zinc/34/39/27/501343927.db2.gz JLRJODJDOWXDOA-WOJBJXKFSA-N 2 1 367.578 3.035 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000455607775 501346107 /nfs/dbraw/zinc/34/61/07/501346107.db2.gz JKITWEWDZLIJLM-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc21 ZINC000455864516 501402263 /nfs/dbraw/zinc/40/22/63/501402263.db2.gz SYYXJAJUFQVAGU-PZJWPPBQSA-N 2 1 356.514 3.185 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455909079 501412789 /nfs/dbraw/zinc/41/27/89/501412789.db2.gz ILDAXIYQKVXYHC-GQIGUUNPSA-N 2 1 358.530 3.477 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455923573 501416766 /nfs/dbraw/zinc/41/67/66/501416766.db2.gz MNSSGFCIBQCWHP-OXQOHEQNSA-N 2 1 358.530 3.335 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455923575 501416874 /nfs/dbraw/zinc/41/68/74/501416874.db2.gz MNSSGFCIBQCWHP-UZLBHIALSA-N 2 1 358.530 3.335 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096673 506254400 /nfs/dbraw/zinc/25/44/00/506254400.db2.gz WZOZXFMYEIOMPE-FUHWJXTLSA-N 2 1 360.498 3.011 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096673 506254408 /nfs/dbraw/zinc/25/44/08/506254408.db2.gz WZOZXFMYEIOMPE-FUHWJXTLSA-N 2 1 360.498 3.011 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505989 501461162 /nfs/dbraw/zinc/46/11/62/501461162.db2.gz NGJGPTOUIHSMFP-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505989 501461164 /nfs/dbraw/zinc/46/11/64/501461164.db2.gz NGJGPTOUIHSMFP-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505989 501461167 /nfs/dbraw/zinc/46/11/67/501461167.db2.gz NGJGPTOUIHSMFP-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000458514129 501463226 /nfs/dbraw/zinc/46/32/26/501463226.db2.gz CHDDILKCYUAKDG-OXJNMPFZSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458514129 501463227 /nfs/dbraw/zinc/46/32/27/501463227.db2.gz CHDDILKCYUAKDG-OXJNMPFZSA-N 2 1 369.513 3.366 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C(C)C ZINC000588273244 506256257 /nfs/dbraw/zinc/25/62/57/506256257.db2.gz BGELNWOJVLQLSE-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458670740 501504031 /nfs/dbraw/zinc/50/40/31/501504031.db2.gz IJUDKDCSGYAYRL-UYAOXDASSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000458788393 501531778 /nfs/dbraw/zinc/53/17/78/501531778.db2.gz YCBHJNPITLCBCS-HBFSDRIKSA-N 2 1 360.546 3.110 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000458836897 501541070 /nfs/dbraw/zinc/54/10/70/501541070.db2.gz BNJAAOJYCGNHCZ-SFHVURJKSA-N 2 1 361.534 3.058 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCC1 ZINC000458974807 501568843 /nfs/dbraw/zinc/56/88/43/501568843.db2.gz MUXRKWRGYKUSCA-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C[C@H](C)[N@@H+]1C ZINC000454541676 501573320 /nfs/dbraw/zinc/57/33/20/501573320.db2.gz BPLKLIJNVUJMLJ-HDICACEKSA-N 2 1 358.530 3.271 20 0 FGADMP C[C@@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1cccc(-n2ccnc2)c1 ZINC000454572573 501580939 /nfs/dbraw/zinc/58/09/39/501580939.db2.gz HNGXUSMHWBAPTE-MRXNPFEDSA-N 2 1 355.486 3.107 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285387 506261596 /nfs/dbraw/zinc/26/15/96/506261596.db2.gz IRIQZEIMKDXPMW-APWZRJJASA-N 2 1 367.497 3.134 20 0 FGADMP C[N@@H+](CCCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000459149667 501603850 /nfs/dbraw/zinc/60/38/50/501603850.db2.gz GSMYGXRPARFKCJ-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP C[N@@H+](CCCCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000459157096 501605364 /nfs/dbraw/zinc/60/53/64/501605364.db2.gz MBBSASCJNKLXLZ-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](CCCCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000459157096 501605365 /nfs/dbraw/zinc/60/53/65/501605365.db2.gz MBBSASCJNKLXLZ-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](CCCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC1 ZINC000459157096 501605366 /nfs/dbraw/zinc/60/53/66/501605366.db2.gz MBBSASCJNKLXLZ-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760924 501623756 /nfs/dbraw/zinc/62/37/56/501623756.db2.gz DOTQLIZFEWZWHT-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760924 501623759 /nfs/dbraw/zinc/62/37/59/501623759.db2.gz DOTQLIZFEWZWHT-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760924 501623762 /nfs/dbraw/zinc/62/37/62/501623762.db2.gz DOTQLIZFEWZWHT-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459390787 501645122 /nfs/dbraw/zinc/64/51/22/501645122.db2.gz QAPWXMIGDDFFEG-UHFFFAOYSA-N 2 1 350.470 3.355 20 0 FGADMP C[N@H+](CC1CCC(F)(F)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000459434158 501653382 /nfs/dbraw/zinc/65/33/82/501653382.db2.gz UIYQEKGSLLTHGN-LJQANCHMSA-N 2 1 352.469 3.381 20 0 FGADMP C[N@@H+](CC1CCC(F)(F)CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000459434158 501653384 /nfs/dbraw/zinc/65/33/84/501653384.db2.gz UIYQEKGSLLTHGN-LJQANCHMSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000459434158 501653386 /nfs/dbraw/zinc/65/33/86/501653386.db2.gz UIYQEKGSLLTHGN-LJQANCHMSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](CC1CCC(F)(F)CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000459434158 501653388 /nfs/dbraw/zinc/65/33/88/501653388.db2.gz UIYQEKGSLLTHGN-LJQANCHMSA-N 2 1 352.469 3.381 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459729701 501705208 /nfs/dbraw/zinc/70/52/08/501705208.db2.gz DKSWALJXUABSSG-LSDHHAIUSA-N 2 1 367.921 3.387 20 0 FGADMP C[C@@H](c1ccc(NC(=O)C2C[NH+](C3CCCCC3)C2)cc1)[NH+]1CCOCC1 ZINC000457535400 501718144 /nfs/dbraw/zinc/71/81/44/501718144.db2.gz DBKRNGXITREQGY-KRWDZBQOSA-N 2 1 371.525 3.283 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457535061 501718250 /nfs/dbraw/zinc/71/82/50/501718250.db2.gz SVQQFTBOVPSATN-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000481327811 501744726 /nfs/dbraw/zinc/74/47/26/501744726.db2.gz MWDAYMVTVUEKSG-NSHGMRRFSA-N 2 1 373.541 3.211 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000481327811 501744732 /nfs/dbraw/zinc/74/47/32/501744732.db2.gz MWDAYMVTVUEKSG-NSHGMRRFSA-N 2 1 373.541 3.211 20 0 FGADMP CO[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CC[C@@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290337 501760277 /nfs/dbraw/zinc/76/02/77/501760277.db2.gz IECUIIULYWIBNO-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[NH+](Cc2cccc(C[N@@H+]3CC[C@@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290337 501760279 /nfs/dbraw/zinc/76/02/79/501760279.db2.gz IECUIIULYWIBNO-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[NH+](Cc2cccc(C[N@H+]3CC[C@@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290337 501760281 /nfs/dbraw/zinc/76/02/81/501760281.db2.gz IECUIIULYWIBNO-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000467369507 501778771 /nfs/dbraw/zinc/77/87/71/501778771.db2.gz ZAABKNLYSOMRBX-OLKYXYMISA-N 2 1 364.533 3.399 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346823 501797603 /nfs/dbraw/zinc/79/76/03/501797603.db2.gz IARJMTWCGLNALI-MOJGAOKDSA-N 2 1 371.569 3.429 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346823 501797607 /nfs/dbraw/zinc/79/76/07/501797607.db2.gz IARJMTWCGLNALI-MOJGAOKDSA-N 2 1 371.569 3.429 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473870 501803534 /nfs/dbraw/zinc/80/35/34/501803534.db2.gz MDBUTOQNWDOVTN-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473870 501803539 /nfs/dbraw/zinc/80/35/39/501803539.db2.gz MDBUTOQNWDOVTN-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C2(CCCCC2)C1 ZINC000467473870 501803544 /nfs/dbraw/zinc/80/35/44/501803544.db2.gz MDBUTOQNWDOVTN-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375081 501807345 /nfs/dbraw/zinc/80/73/45/501807345.db2.gz KCOSFPBKDFUGQG-RTWAWAEBSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375081 501807351 /nfs/dbraw/zinc/80/73/51/501807351.db2.gz KCOSFPBKDFUGQG-RTWAWAEBSA-N 2 1 369.484 3.382 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1Cl ZINC000485425392 501817322 /nfs/dbraw/zinc/81/73/22/501817322.db2.gz DJWOXOWULHGHPY-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1Cl ZINC000485425392 501817326 /nfs/dbraw/zinc/81/73/26/501817326.db2.gz DJWOXOWULHGHPY-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1Cl ZINC000485425392 501817331 /nfs/dbraw/zinc/81/73/31/501817331.db2.gz DJWOXOWULHGHPY-MRXNPFEDSA-N 2 1 367.921 3.483 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474424544 501831513 /nfs/dbraw/zinc/83/15/13/501831513.db2.gz GRSBCHUMYUOVJX-MRXNPFEDSA-N 2 1 372.340 3.273 20 0 FGADMP CC(C)[C@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000474480093 501849405 /nfs/dbraw/zinc/84/94/05/501849405.db2.gz DGERLWHQOVZIBF-SFTDATJTSA-N 2 1 357.542 3.379 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969416 501874599 /nfs/dbraw/zinc/87/45/99/501874599.db2.gz CBPYBWVQUJAMLT-CTNGQTDRSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969416 501874602 /nfs/dbraw/zinc/87/46/02/501874602.db2.gz CBPYBWVQUJAMLT-CTNGQTDRSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969416 501874609 /nfs/dbraw/zinc/87/46/09/501874609.db2.gz CBPYBWVQUJAMLT-CTNGQTDRSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969416 501874617 /nfs/dbraw/zinc/87/46/17/501874617.db2.gz CBPYBWVQUJAMLT-CTNGQTDRSA-N 2 1 368.521 3.243 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000485671086 501895208 /nfs/dbraw/zinc/89/52/08/501895208.db2.gz INDODQROEFXQHZ-OAHLLOKOSA-N 2 1 365.905 3.095 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CCC(C)(C)C(=O)OC)CC2)cs1 ZINC000474723570 501933942 /nfs/dbraw/zinc/93/39/42/501933942.db2.gz QMZXIRQQPATFBB-UHFFFAOYSA-N 2 1 367.559 3.096 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2cc3cc(Br)ccc3[nH]2)CC1 ZINC000468037111 501936267 /nfs/dbraw/zinc/93/62/67/501936267.db2.gz HYHITLPXAJENQW-UHFFFAOYSA-N 2 1 366.303 3.131 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917059 501958619 /nfs/dbraw/zinc/95/86/19/501958619.db2.gz ZNNWGWHTAXLSJI-LPHOPBHVSA-N 2 1 365.949 3.318 20 0 FGADMP C[N@@H+](CCCNC(=O)NCC(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000478410586 501972411 /nfs/dbraw/zinc/97/24/11/501972411.db2.gz KBWULUYXZZKVRC-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000485883481 501975450 /nfs/dbraw/zinc/97/54/50/501975450.db2.gz NXOWYILBFBATHR-GHTZIAJQSA-N 2 1 357.542 3.402 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000482159037 501992974 /nfs/dbraw/zinc/99/29/74/501992974.db2.gz VYHWNLIHFSBPPX-UYAOXDASSA-N 2 1 363.521 3.274 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000478483003 501996580 /nfs/dbraw/zinc/99/65/80/501996580.db2.gz ILMKSBVNEVAWOR-LJQANCHMSA-N 2 1 361.574 3.412 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000482235309 502015253 /nfs/dbraw/zinc/01/52/53/502015253.db2.gz PZIYMENAECBSKI-CQSZACIVSA-N 2 1 372.340 3.103 20 0 FGADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)nc(C(C)C)n1 ZINC000486020247 502020354 /nfs/dbraw/zinc/02/03/54/502020354.db2.gz QPOGKNMERGANSR-QFBILLFUSA-N 2 1 356.518 3.161 20 0 FGADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000468311490 502021720 /nfs/dbraw/zinc/02/17/20/502021720.db2.gz WKQDLESAMITFSN-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550642 502025371 /nfs/dbraw/zinc/02/53/71/502025371.db2.gz HEFGOVOWZRBZAD-QAPCUYQASA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550642 502025377 /nfs/dbraw/zinc/02/53/77/502025377.db2.gz HEFGOVOWZRBZAD-QAPCUYQASA-N 2 1 351.922 3.133 20 0 FGADMP Cc1ccccc1[C@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037318 502029105 /nfs/dbraw/zinc/02/91/05/502029105.db2.gz CSHLLXHTDMRUNB-UNMCSNQZSA-N 2 1 365.521 3.203 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475098627 502057228 /nfs/dbraw/zinc/05/72/28/502057228.db2.gz TZPNJRXJOSOZKB-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136781 502075057 /nfs/dbraw/zinc/07/50/57/502075057.db2.gz PFKHECVAVBNQOT-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136781 502075063 /nfs/dbraw/zinc/07/50/63/502075063.db2.gz PFKHECVAVBNQOT-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136781 502075069 /nfs/dbraw/zinc/07/50/69/502075069.db2.gz PFKHECVAVBNQOT-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C(=O)NCC[NH+]1CCC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475169116 502089184 /nfs/dbraw/zinc/08/91/84/502089184.db2.gz JPLFAYIQHIDAPU-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169116 502089189 /nfs/dbraw/zinc/08/91/89/502089189.db2.gz JPLFAYIQHIDAPU-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475169116 502089193 /nfs/dbraw/zinc/08/91/93/502089193.db2.gz JPLFAYIQHIDAPU-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)C[NH+]1CCCCCC1 ZINC000482508605 502093995 /nfs/dbraw/zinc/09/39/95/502093995.db2.gz LPNXSLWMBTZNQX-MSOLQXFVSA-N 2 1 361.530 3.187 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000482531792 502102716 /nfs/dbraw/zinc/10/27/16/502102716.db2.gz JOYXJOAPJGPURF-APWZRJJASA-N 2 1 352.494 3.103 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000461464844 502124530 /nfs/dbraw/zinc/12/45/30/502124530.db2.gz BVVZOSYQPLFNEH-LJQANCHMSA-N 2 1 362.477 3.366 20 0 FGADMP C[C@@H](CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)OCc1ccccc1 ZINC000475320517 502133588 /nfs/dbraw/zinc/13/35/88/502133588.db2.gz JXNFNIGSGXINBK-PMACEKPBSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000475355881 502146478 /nfs/dbraw/zinc/14/64/78/502146478.db2.gz XBHUNKWKMRUQSV-KZNAEPCWSA-N 2 1 371.525 3.304 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000479061468 502150766 /nfs/dbraw/zinc/15/07/66/502150766.db2.gz NSWCUVXZXFVFTQ-UHFFFAOYSA-N 2 1 366.594 3.262 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[N@H+]1C ZINC000486496506 502171542 /nfs/dbraw/zinc/17/15/42/502171542.db2.gz QTFWEMQIFCAELG-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000486496506 502171544 /nfs/dbraw/zinc/17/15/44/502171544.db2.gz QTFWEMQIFCAELG-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000486496506 502171547 /nfs/dbraw/zinc/17/15/47/502171547.db2.gz QTFWEMQIFCAELG-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(=O)N2Cc3ccccc3C2)CC1 ZINC000475515780 502201178 /nfs/dbraw/zinc/20/11/78/502201178.db2.gz GUIQOHWMJFDSGD-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000461792778 502202578 /nfs/dbraw/zinc/20/25/78/502202578.db2.gz ZDUGAFBZALUPTO-KRWDZBQOSA-N 2 1 362.518 3.063 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000461792778 502202584 /nfs/dbraw/zinc/20/25/84/502202584.db2.gz ZDUGAFBZALUPTO-KRWDZBQOSA-N 2 1 362.518 3.063 20 0 FGADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894815 502209715 /nfs/dbraw/zinc/20/97/15/502209715.db2.gz XKQNVYKXEXNNCS-GOSISDBHSA-N 2 1 359.558 3.478 20 0 FGADMP O=C(C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000482918495 502216128 /nfs/dbraw/zinc/21/61/28/502216128.db2.gz SGZCMZGBMOXXRD-HXUWFJFHSA-N 2 1 359.489 3.096 20 0 FGADMP O=C(C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000482918495 502216133 /nfs/dbraw/zinc/21/61/33/502216133.db2.gz SGZCMZGBMOXXRD-HXUWFJFHSA-N 2 1 359.489 3.096 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486643307 502218152 /nfs/dbraw/zinc/21/81/52/502218152.db2.gz VXKVKJCCZUIXCQ-PXNSSMCTSA-N 2 1 351.494 3.141 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479367132 502235841 /nfs/dbraw/zinc/23/58/41/502235841.db2.gz VUHURRGZBGEWCZ-GOSISDBHSA-N 2 1 367.331 3.263 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479395516 502246278 /nfs/dbraw/zinc/24/62/78/502246278.db2.gz UTIFXVWPRKQQLX-MLYOOKFZSA-N 2 1 360.546 3.097 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000465396174 502249072 /nfs/dbraw/zinc/24/90/72/502249072.db2.gz DCTYJHHNIWBLLZ-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434090 502260741 /nfs/dbraw/zinc/26/07/41/502260741.db2.gz PHJKTMIBUCFDOV-CTNGQTDRSA-N 2 1 374.573 3.443 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582575603 506303179 /nfs/dbraw/zinc/30/31/79/506303179.db2.gz YYVIFXDBFZCMTJ-BVSLBCMMSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000582575603 506303184 /nfs/dbraw/zinc/30/31/84/506303184.db2.gz YYVIFXDBFZCMTJ-BVSLBCMMSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582575603 506303190 /nfs/dbraw/zinc/30/31/90/506303190.db2.gz YYVIFXDBFZCMTJ-BVSLBCMMSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582575603 506303195 /nfs/dbraw/zinc/30/31/95/506303195.db2.gz YYVIFXDBFZCMTJ-BVSLBCMMSA-N 2 1 369.553 3.087 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462016567 502275670 /nfs/dbraw/zinc/27/56/70/502275670.db2.gz RKNIZDIFIGXRKI-QKNQBKEWSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462016567 502275673 /nfs/dbraw/zinc/27/56/73/502275673.db2.gz RKNIZDIFIGXRKI-QKNQBKEWSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462016567 502275675 /nfs/dbraw/zinc/27/56/75/502275675.db2.gz RKNIZDIFIGXRKI-QKNQBKEWSA-N 2 1 374.573 3.410 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462015524 502275812 /nfs/dbraw/zinc/27/58/12/502275812.db2.gz QABUDIRPPLPJRE-VAMGGRTRSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462015524 502275815 /nfs/dbraw/zinc/27/58/15/502275815.db2.gz QABUDIRPPLPJRE-VAMGGRTRSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462015524 502275818 /nfs/dbraw/zinc/27/58/18/502275818.db2.gz QABUDIRPPLPJRE-VAMGGRTRSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000479526241 502285937 /nfs/dbraw/zinc/28/59/37/502285937.db2.gz KRJOEPVCVCSBRF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479526241 502285941 /nfs/dbraw/zinc/28/59/41/502285941.db2.gz KRJOEPVCVCSBRF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479526241 502285946 /nfs/dbraw/zinc/28/59/46/502285946.db2.gz KRJOEPVCVCSBRF-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC1 ZINC000462051342 502287550 /nfs/dbraw/zinc/28/75/50/502287550.db2.gz UJTMXBFDNDNTGC-UHFFFAOYSA-N 2 1 368.525 3.380 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147792 502291095 /nfs/dbraw/zinc/29/10/95/502291095.db2.gz CMCVUEGDBJTRQL-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147792 502291100 /nfs/dbraw/zinc/29/11/00/502291100.db2.gz CMCVUEGDBJTRQL-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147792 502291103 /nfs/dbraw/zinc/29/11/03/502291103.db2.gz CMCVUEGDBJTRQL-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534704 502294043 /nfs/dbraw/zinc/29/40/43/502294043.db2.gz SOHKJXFVQWXWBE-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465534704 502294051 /nfs/dbraw/zinc/29/40/51/502294051.db2.gz SOHKJXFVQWXWBE-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465534704 502294057 /nfs/dbraw/zinc/29/40/57/502294057.db2.gz SOHKJXFVQWXWBE-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602805783 506305153 /nfs/dbraw/zinc/30/51/53/506305153.db2.gz QDDUBYPXRBPAQT-HNNXBMFYSA-N 2 1 351.491 3.356 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472293002 502302569 /nfs/dbraw/zinc/30/25/69/502302569.db2.gz MYVVOQZRFJNMAO-MJGOQNOKSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472293002 502302571 /nfs/dbraw/zinc/30/25/71/502302571.db2.gz MYVVOQZRFJNMAO-MJGOQNOKSA-N 2 1 361.530 3.009 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000472295439 502303867 /nfs/dbraw/zinc/30/38/67/502303867.db2.gz RDUPTKKMMLVTBC-MRXNPFEDSA-N 2 1 367.921 3.101 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000465579871 502314097 /nfs/dbraw/zinc/31/40/97/502314097.db2.gz VUYVGICNONQHCE-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000465579871 502314102 /nfs/dbraw/zinc/31/41/02/502314102.db2.gz VUYVGICNONQHCE-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000465579871 502314109 /nfs/dbraw/zinc/31/41/09/502314109.db2.gz VUYVGICNONQHCE-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000465614074 502325603 /nfs/dbraw/zinc/32/56/03/502325603.db2.gz YGNCYGJNVJYBSN-FQEVSTJZSA-N 2 1 364.578 3.062 20 0 FGADMP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630684 502331803 /nfs/dbraw/zinc/33/18/03/502331803.db2.gz LZKVMKSXTLZTLD-TZIWHRDSSA-N 2 1 374.573 3.238 20 0 FGADMP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630679 502331837 /nfs/dbraw/zinc/33/18/37/502331837.db2.gz LZKVMKSXTLZTLD-CTNGQTDRSA-N 2 1 374.573 3.238 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OCC4CC4)cc3)CC2)CC1 ZINC000483301061 502344658 /nfs/dbraw/zinc/34/46/58/502344658.db2.gz ZFMKXFSSENGILT-UHFFFAOYSA-N 2 1 371.569 3.466 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)c1ccccc1 ZINC000476010600 502357465 /nfs/dbraw/zinc/35/74/65/502357465.db2.gz KGGBILDORSNZTE-SFHLNBCPSA-N 2 1 374.573 3.236 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721455 502359835 /nfs/dbraw/zinc/35/98/35/502359835.db2.gz KGYFMGUKBQXRQJ-SESVDKBCSA-N 2 1 372.557 3.242 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000465772968 502379352 /nfs/dbraw/zinc/37/93/52/502379352.db2.gz QYUMKFDPIOPYIV-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837352 502398994 /nfs/dbraw/zinc/39/89/94/502398994.db2.gz OHPWWIQYAHWODI-WMZOPIPTSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837352 502398998 /nfs/dbraw/zinc/39/89/98/502398998.db2.gz OHPWWIQYAHWODI-WMZOPIPTSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(C)C ZINC000465837352 502399004 /nfs/dbraw/zinc/39/90/04/502399004.db2.gz OHPWWIQYAHWODI-WMZOPIPTSA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC3CCCC3)C1)CC2 ZINC000476190476 502408995 /nfs/dbraw/zinc/40/89/95/502408995.db2.gz MBIDMCYSDCHJBN-DLBZAZTESA-N 2 1 358.530 3.019 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435558 502415731 /nfs/dbraw/zinc/41/57/31/502415731.db2.gz CWZJDGCRGMLPAB-SFTDATJTSA-N 2 1 374.573 3.174 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465923004 502428579 /nfs/dbraw/zinc/42/85/79/502428579.db2.gz QKTFGKAKUJHTND-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465923004 502428584 /nfs/dbraw/zinc/42/85/84/502428584.db2.gz QKTFGKAKUJHTND-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465923004 502428587 /nfs/dbraw/zinc/42/85/87/502428587.db2.gz QKTFGKAKUJHTND-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483580854 502436541 /nfs/dbraw/zinc/43/65/41/502436541.db2.gz HYJDZQXELXHYAT-YUVXSKOASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580854 502436545 /nfs/dbraw/zinc/43/65/45/502436545.db2.gz HYJDZQXELXHYAT-YUVXSKOASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580854 502436551 /nfs/dbraw/zinc/43/65/51/502436551.db2.gz HYJDZQXELXHYAT-YUVXSKOASA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@@H]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000465991238 502447994 /nfs/dbraw/zinc/44/79/94/502447994.db2.gz ZJJFNKAYPFOUPZ-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466033975 502460849 /nfs/dbraw/zinc/46/08/49/502460849.db2.gz DPMZHCZMIKTJNN-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)[NH+]1CCCC1 ZINC000483709977 502471119 /nfs/dbraw/zinc/47/11/19/502471119.db2.gz LCYWLBJSHIRRTJ-RLLQIKCJSA-N 2 1 366.594 3.401 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000472988653 502492048 /nfs/dbraw/zinc/49/20/48/502492048.db2.gz VUHFDFKUTDWBMM-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000473018817 502500946 /nfs/dbraw/zinc/50/09/46/502500946.db2.gz DPCJSDQRYOFLIB-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000473018817 502500949 /nfs/dbraw/zinc/50/09/49/502500949.db2.gz DPCJSDQRYOFLIB-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000473018817 502500952 /nfs/dbraw/zinc/50/09/52/502500952.db2.gz DPCJSDQRYOFLIB-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710723 506317251 /nfs/dbraw/zinc/31/72/51/506317251.db2.gz KSHSRIXCEHDWBT-OALUTQOASA-N 2 1 373.541 3.063 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508524 /nfs/dbraw/zinc/50/85/24/502508524.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508528 /nfs/dbraw/zinc/50/85/28/502508528.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[NH+]1CC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508534 /nfs/dbraw/zinc/50/85/34/502508534.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508539 /nfs/dbraw/zinc/50/85/39/502508539.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 2 1 373.585 3.161 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000480235200 502508547 /nfs/dbraw/zinc/50/85/47/502508547.db2.gz YDAXFPWPTPOECV-NZQKXSOJSA-N 2 1 373.585 3.161 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000469731558 502520621 /nfs/dbraw/zinc/52/06/21/502520621.db2.gz PPMUTMXLKRZKLY-HDICACEKSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000469731558 502520627 /nfs/dbraw/zinc/52/06/27/502520627.db2.gz PPMUTMXLKRZKLY-HDICACEKSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000469731558 502520634 /nfs/dbraw/zinc/52/06/34/502520634.db2.gz PPMUTMXLKRZKLY-HDICACEKSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000469731558 502520641 /nfs/dbraw/zinc/52/06/41/502520641.db2.gz PPMUTMXLKRZKLY-HDICACEKSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000483927542 502523838 /nfs/dbraw/zinc/52/38/38/502523838.db2.gz LIRQMTIFRRCGHI-WIYYLYMNSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000483927542 502523844 /nfs/dbraw/zinc/52/38/44/502523844.db2.gz LIRQMTIFRRCGHI-WIYYLYMNSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927542 502523851 /nfs/dbraw/zinc/52/38/51/502523851.db2.gz LIRQMTIFRRCGHI-WIYYLYMNSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927542 502523856 /nfs/dbraw/zinc/52/38/56/502523856.db2.gz LIRQMTIFRRCGHI-WIYYLYMNSA-N 2 1 366.509 3.395 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000480419347 502564230 /nfs/dbraw/zinc/56/42/30/502564230.db2.gz RSYKBMMTIZZEKS-HMXCVIKNSA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000480419347 502564235 /nfs/dbraw/zinc/56/42/35/502564235.db2.gz RSYKBMMTIZZEKS-HMXCVIKNSA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000480419347 502564239 /nfs/dbraw/zinc/56/42/39/502564239.db2.gz RSYKBMMTIZZEKS-HMXCVIKNSA-N 2 1 374.569 3.448 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000469863326 502573562 /nfs/dbraw/zinc/57/35/62/502573562.db2.gz QKNPUZLIGKPICN-AWEZNQCLSA-N 2 1 357.292 3.026 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000469863326 502573566 /nfs/dbraw/zinc/57/35/66/502573566.db2.gz QKNPUZLIGKPICN-AWEZNQCLSA-N 2 1 357.292 3.026 20 0 FGADMP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462810062 502584493 /nfs/dbraw/zinc/58/44/93/502584493.db2.gz SWJNANZGJQRUQO-HKUYNNGSSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462810062 502584496 /nfs/dbraw/zinc/58/44/96/502584496.db2.gz SWJNANZGJQRUQO-HKUYNNGSSA-N 2 1 352.526 3.299 20 0 FGADMP CC(C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1F ZINC000473430604 502592279 /nfs/dbraw/zinc/59/22/79/502592279.db2.gz CBOOSTDRSFCUEE-UHFFFAOYSA-N 2 1 367.896 3.047 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553629 502601379 /nfs/dbraw/zinc/60/13/79/502601379.db2.gz KXLKSGMJWBUGFK-RTWAWAEBSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553629 502601386 /nfs/dbraw/zinc/60/13/86/502601386.db2.gz KXLKSGMJWBUGFK-RTWAWAEBSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553629 502601391 /nfs/dbraw/zinc/60/13/91/502601391.db2.gz KXLKSGMJWBUGFK-RTWAWAEBSA-N 2 1 369.553 3.422 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000469998423 502623982 /nfs/dbraw/zinc/62/39/82/502623982.db2.gz GEJRJJWLPSWQDS-AWEZNQCLSA-N 2 1 363.303 3.114 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000469998423 502623985 /nfs/dbraw/zinc/62/39/85/502623985.db2.gz GEJRJJWLPSWQDS-AWEZNQCLSA-N 2 1 363.303 3.114 20 0 FGADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C4CCCC4)cc3)CC2)CC1 ZINC000462914385 502625713 /nfs/dbraw/zinc/62/57/13/502625713.db2.gz YHXKYHUMRPMBDU-UHFFFAOYSA-N 2 1 369.553 3.330 20 0 FGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1(C)C ZINC000463035503 502668952 /nfs/dbraw/zinc/66/89/52/502668952.db2.gz QRUKPEUTWWXQNY-NHCUHLMSSA-N 2 1 359.558 3.116 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000470161755 502686901 /nfs/dbraw/zinc/68/69/01/502686901.db2.gz XEHQAZGQSRUWJN-OALUTQOASA-N 2 1 351.579 3.120 20 0 FGADMP c1ccc(C[NH+]2CCN(CC[N@H+]3CCCOCC3)CC23CCCCC3)cc1 ZINC000463095661 502692286 /nfs/dbraw/zinc/69/22/86/502692286.db2.gz FFBHNTOOOVHHLR-UHFFFAOYSA-N 2 1 371.569 3.229 20 0 FGADMP c1ccc(C[N@H+]2CCN(CC[NH+]3CCCOCC3)CC23CCCCC3)cc1 ZINC000463095661 502692293 /nfs/dbraw/zinc/69/22/93/502692293.db2.gz FFBHNTOOOVHHLR-UHFFFAOYSA-N 2 1 371.569 3.229 20 0 FGADMP c1ccc(C[N@@H+]2CCN(CC[NH+]3CCCOCC3)CC23CCCCC3)cc1 ZINC000463095661 502692299 /nfs/dbraw/zinc/69/22/99/502692299.db2.gz FFBHNTOOOVHHLR-UHFFFAOYSA-N 2 1 371.569 3.229 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893244 502699996 /nfs/dbraw/zinc/69/99/96/502699996.db2.gz CMLJYHWGNUIQSM-RXVVDRJESA-N 2 1 357.542 3.326 20 0 FGADMP C[C@@H](C(=O)N1CCSc2ccccc21)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488417924 502709701 /nfs/dbraw/zinc/70/97/01/502709701.db2.gz GRZHOYFRYSXKIQ-KRWDZBQOSA-N 2 1 373.566 3.322 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470227426 502710841 /nfs/dbraw/zinc/71/08/41/502710841.db2.gz FRANBFANEKAZFT-VXKWHMMOSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470227426 502710848 /nfs/dbraw/zinc/71/08/48/502710848.db2.gz FRANBFANEKAZFT-VXKWHMMOSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470227426 502710854 /nfs/dbraw/zinc/71/08/54/502710854.db2.gz FRANBFANEKAZFT-VXKWHMMOSA-N 2 1 369.553 3.089 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000484729802 502723951 /nfs/dbraw/zinc/72/39/51/502723951.db2.gz NTXHOTITYXEIHK-QXCFHYIPSA-N 2 1 352.906 3.244 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026309 502732334 /nfs/dbraw/zinc/73/23/34/502732334.db2.gz RLFBXOBVXAFLLN-WIYYLYMNSA-N 2 1 354.494 3.373 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499216 502733289 /nfs/dbraw/zinc/73/32/89/502733289.db2.gz NQPBZSHQGDKOOS-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000488513705 502737484 /nfs/dbraw/zinc/73/74/84/502737484.db2.gz HUMLGTQRSXHXNJ-RXVVDRJESA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)N(C)CC[N@@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000473917228 502748958 /nfs/dbraw/zinc/74/89/58/502748958.db2.gz DKHMQBPMLNLSGD-SFHVURJKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000470361887 502749166 /nfs/dbraw/zinc/74/91/66/502749166.db2.gz LZRBGXVCMDITIA-MJGOQNOKSA-N 2 1 363.505 3.320 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481176161 502773729 /nfs/dbraw/zinc/77/37/29/502773729.db2.gz XIJVIRAXKQWCSV-UCAOZASHSA-N 2 1 357.542 3.182 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481176161 502773735 /nfs/dbraw/zinc/77/37/35/502773735.db2.gz XIJVIRAXKQWCSV-UCAOZASHSA-N 2 1 357.542 3.182 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176555 502774835 /nfs/dbraw/zinc/77/48/35/502774835.db2.gz KJOTZOBFBWRSAR-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176555 502774843 /nfs/dbraw/zinc/77/48/43/502774843.db2.gz KJOTZOBFBWRSAR-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477487186 502786673 /nfs/dbraw/zinc/78/66/73/502786673.db2.gz JGBXTGPYTLZJGJ-UIAACRFSSA-N 2 1 373.541 3.256 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000484988003 502793797 /nfs/dbraw/zinc/79/37/97/502793797.db2.gz OONIMWXEYOYKHJ-UHFFFAOYSA-N 2 1 357.420 3.450 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000484988003 502793803 /nfs/dbraw/zinc/79/38/03/502793803.db2.gz OONIMWXEYOYKHJ-UHFFFAOYSA-N 2 1 357.420 3.450 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+]1CCCCC1 ZINC000509133216 502829416 /nfs/dbraw/zinc/82/94/16/502829416.db2.gz XEZZDPDHSJYEMA-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000495380946 502831397 /nfs/dbraw/zinc/83/13/97/502831397.db2.gz SXECTPIVBIJYMS-MJGOQNOKSA-N 2 1 363.546 3.486 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@H](C)C1 ZINC000495380946 502831402 /nfs/dbraw/zinc/83/14/02/502831402.db2.gz SXECTPIVBIJYMS-MJGOQNOKSA-N 2 1 363.546 3.486 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000500858672 502880059 /nfs/dbraw/zinc/88/00/59/502880059.db2.gz KPMSSQHLCCKEEK-IBGZPJMESA-N 2 1 352.567 3.206 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)C1 ZINC000496588772 502895605 /nfs/dbraw/zinc/89/56/05/502895605.db2.gz BINDLZDDLYTSQA-OTWHNJEPSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1cc(C)cc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501027128 502915233 /nfs/dbraw/zinc/91/52/33/502915233.db2.gz KGVOCLOWBRIPSC-UHFFFAOYSA-N 2 1 366.509 3.485 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)c1cc(-n2ccnc2)ccn1 ZINC000489345414 502934097 /nfs/dbraw/zinc/93/40/97/502934097.db2.gz PIKYWPAKXZVZPW-IBGZPJMESA-N 2 1 367.497 3.042 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163291 502951692 /nfs/dbraw/zinc/95/16/92/502951692.db2.gz MQBHUCXACLUQIA-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)nc1 ZINC000509659017 502960161 /nfs/dbraw/zinc/96/01/61/502960161.db2.gz RMXGVQQMRPALNA-UHFFFAOYSA-N 2 1 367.493 3.212 20 0 FGADMP CN(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580687 502969851 /nfs/dbraw/zinc/96/98/51/502969851.db2.gz QMVQLSKBAKXBKG-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580687 502969859 /nfs/dbraw/zinc/96/98/59/502969859.db2.gz QMVQLSKBAKXBKG-NHCUHLMSSA-N 2 1 351.494 3.070 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505709350 502971160 /nfs/dbraw/zinc/97/11/60/502971160.db2.gz OTVJTWCQOHJKGN-RTWAWAEBSA-N 2 1 370.541 3.099 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489516729 502976502 /nfs/dbraw/zinc/97/65/02/502976502.db2.gz TZAYOUXNGGUKQX-PZJWPPBQSA-N 2 1 374.573 3.126 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(C(=O)OC)CCC1 ZINC000497549956 502984861 /nfs/dbraw/zinc/98/48/61/502984861.db2.gz HYLGDZPAXUNPCD-HXUWFJFHSA-N 2 1 358.526 3.405 20 0 FGADMP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513679232 502998934 /nfs/dbraw/zinc/99/89/34/502998934.db2.gz VRTYUPDKLSKVJK-NJDAHSKKSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501395469 503000942 /nfs/dbraw/zinc/00/09/42/503000942.db2.gz BEDCJALWUFPQDP-ICSRJNTNSA-N 2 1 366.594 3.451 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000489684207 503010291 /nfs/dbraw/zinc/01/02/91/503010291.db2.gz MCWGESPGGYWMOG-CABCVRRESA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000489684207 503010292 /nfs/dbraw/zinc/01/02/92/503010292.db2.gz MCWGESPGGYWMOG-CABCVRRESA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000489684207 503010295 /nfs/dbraw/zinc/01/02/95/503010295.db2.gz MCWGESPGGYWMOG-CABCVRRESA-N 2 1 358.452 3.493 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000509958037 503018762 /nfs/dbraw/zinc/01/87/62/503018762.db2.gz RVGREVJVFHGVAH-LJQANCHMSA-N 2 1 367.537 3.251 20 0 FGADMP C[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000501525093 503028763 /nfs/dbraw/zinc/02/87/63/503028763.db2.gz ZIQWEZPMWGYLGU-IAGOWNOFSA-N 2 1 362.518 3.011 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513819731 503029416 /nfs/dbraw/zinc/02/94/16/503029416.db2.gz BUAODCMGDGZHQS-IBGZPJMESA-N 2 1 373.541 3.065 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489784565 503033471 /nfs/dbraw/zinc/03/34/71/503033471.db2.gz WOAFWZVKXJHKFE-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836880 503045900 /nfs/dbraw/zinc/04/59/00/503045900.db2.gz BOGAVVIJLKXASA-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836880 503045902 /nfs/dbraw/zinc/04/59/02/503045902.db2.gz BOGAVVIJLKXASA-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836880 503045903 /nfs/dbraw/zinc/04/59/03/503045903.db2.gz BOGAVVIJLKXASA-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000514027652 503072107 /nfs/dbraw/zinc/07/21/07/503072107.db2.gz UZFXNWKOISMTMA-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)CN1CCO[C@@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000514100573 503087562 /nfs/dbraw/zinc/08/75/62/503087562.db2.gz WSTBOTIUVRKSTA-VNXZQDSDSA-N 2 1 373.585 3.376 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336831 503094298 /nfs/dbraw/zinc/09/42/98/503094298.db2.gz NPKNONXPQKASOR-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000506352949 503099358 /nfs/dbraw/zinc/09/93/58/503099358.db2.gz LKPNADKNPOAQBM-HSZRJFAPSA-N 2 1 365.521 3.402 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000506352949 503099362 /nfs/dbraw/zinc/09/93/62/503099362.db2.gz LKPNADKNPOAQBM-HSZRJFAPSA-N 2 1 365.521 3.402 20 0 FGADMP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000502085147 503141731 /nfs/dbraw/zinc/14/17/31/503141731.db2.gz MYBUUDDEXQPFPM-SFHVURJKSA-N 2 1 373.541 3.358 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000502170212 503155253 /nfs/dbraw/zinc/15/52/53/503155253.db2.gz QQQHXAOASZAJNZ-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)c2)C1 ZINC000510673224 503169762 /nfs/dbraw/zinc/16/97/62/503169762.db2.gz ZUYNTFMZFOXNLX-NJYVYQBISA-N 2 1 355.526 3.052 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CCOCC4)cc2)CC1 ZINC000502276068 503173272 /nfs/dbraw/zinc/17/32/72/503173272.db2.gz QMNPDVXLGQXKMW-QFIPXVFZSA-N 2 1 371.569 3.263 20 0 FGADMP CSC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761938 503186982 /nfs/dbraw/zinc/18/69/82/503186982.db2.gz PJEFMDVDVSXONX-UYAOXDASSA-N 3 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761938 503186984 /nfs/dbraw/zinc/18/69/84/503186984.db2.gz PJEFMDVDVSXONX-UYAOXDASSA-N 2 1 361.599 3.314 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000514824982 503202628 /nfs/dbraw/zinc/20/26/28/503202628.db2.gz GBIRONYYBCPNNG-KRWDZBQOSA-N 2 1 356.388 3.315 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC3(CCCO3)CC2)c2cccs2)CC1 ZINC000514899977 503222366 /nfs/dbraw/zinc/22/23/66/503222366.db2.gz GFCCFVXYOPFYIZ-QPIRBTGLSA-N 2 1 363.571 3.118 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000510999203 503233204 /nfs/dbraw/zinc/23/32/04/503233204.db2.gz OVFLHDRRJBQVGF-ZDUSSCGKSA-N 2 1 364.877 3.251 20 0 FGADMP Cc1ccnc([C@@H]2CC[N@@H+](CCCN3CCN(c4ccccc4)CC3)C2)c1 ZINC000514947776 503233486 /nfs/dbraw/zinc/23/34/86/503233486.db2.gz JYSMJDLQXAMZAV-OAQYLSRUSA-N 2 1 364.537 3.392 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1O ZINC000491130871 503276791 /nfs/dbraw/zinc/27/67/91/503276791.db2.gz GISURZGLYMRGJO-UHFFFAOYSA-N 2 1 371.319 3.327 20 0 FGADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000502822338 503280884 /nfs/dbraw/zinc/28/08/84/503280884.db2.gz BEQZONWUYQWYHW-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000502822338 503280889 /nfs/dbraw/zinc/28/08/89/503280889.db2.gz BEQZONWUYQWYHW-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000502822338 503280891 /nfs/dbraw/zinc/28/08/91/503280891.db2.gz BEQZONWUYQWYHW-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000502822338 503280895 /nfs/dbraw/zinc/28/08/95/503280895.db2.gz BEQZONWUYQWYHW-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000502884862 503298507 /nfs/dbraw/zinc/29/85/07/503298507.db2.gz LGFQYABUHHPAMP-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000502884862 503298510 /nfs/dbraw/zinc/29/85/10/503298510.db2.gz LGFQYABUHHPAMP-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000502884862 503298516 /nfs/dbraw/zinc/29/85/16/503298516.db2.gz LGFQYABUHHPAMP-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CC1 ZINC000502913673 503306686 /nfs/dbraw/zinc/30/66/86/503306686.db2.gz WWGTWAQLZKPFKT-IBGZPJMESA-N 2 1 372.557 3.154 20 0 FGADMP C[N@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399732 503313989 /nfs/dbraw/zinc/31/39/89/503313989.db2.gz SWMGKOAZPIDXOX-UXHICEINSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399732 503313995 /nfs/dbraw/zinc/31/39/95/503313995.db2.gz SWMGKOAZPIDXOX-UXHICEINSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000511399732 503313998 /nfs/dbraw/zinc/31/39/98/503313998.db2.gz SWMGKOAZPIDXOX-UXHICEINSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000511399732 503314002 /nfs/dbraw/zinc/31/40/02/503314002.db2.gz SWMGKOAZPIDXOX-UXHICEINSA-N 2 1 365.949 3.176 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1C ZINC000499088047 503330878 /nfs/dbraw/zinc/33/08/78/503330878.db2.gz CNMFPBJOPCSZNZ-ULQDDVLXSA-N 2 1 364.559 3.009 20 0 FGADMP CC[N@@H+](CC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1)C1CC1 ZINC000491995559 503341800 /nfs/dbraw/zinc/34/18/00/503341800.db2.gz LLXWKAFQDITWCM-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CCOC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094401 503345059 /nfs/dbraw/zinc/34/50/59/503345059.db2.gz PBZRWVGYZZNGOU-JKSUJKDBSA-N 2 1 356.470 3.152 20 0 FGADMP CCOC[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094401 503345063 /nfs/dbraw/zinc/34/50/63/503345063.db2.gz PBZRWVGYZZNGOU-JKSUJKDBSA-N 2 1 356.470 3.152 20 0 FGADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CCCC1 ZINC000507700127 503350526 /nfs/dbraw/zinc/35/05/26/503350526.db2.gz WEPUKLLMECRASJ-UHFFFAOYSA-N 2 1 361.555 3.296 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1 ZINC000511696534 503371619 /nfs/dbraw/zinc/37/16/19/503371619.db2.gz XQMVFVSFRHOVJY-AWEZNQCLSA-N 2 1 362.433 3.476 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492580723 503375297 /nfs/dbraw/zinc/37/52/97/503375297.db2.gz PJVGFCOOCZWOTB-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492580723 503375301 /nfs/dbraw/zinc/37/53/01/503375301.db2.gz PJVGFCOOCZWOTB-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(OCc2ccccc2)c1 ZINC000492806017 503386034 /nfs/dbraw/zinc/38/60/34/503386034.db2.gz HNBDSCVTOLIXPM-UHFFFAOYSA-N 2 1 367.537 3.335 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050609 503444174 /nfs/dbraw/zinc/44/41/74/503444174.db2.gz DGYKLKUBAFDEKY-LEWJYISDSA-N 2 1 350.462 3.405 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050609 503444176 /nfs/dbraw/zinc/44/41/76/503444176.db2.gz DGYKLKUBAFDEKY-LEWJYISDSA-N 2 1 350.462 3.405 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814730 503448191 /nfs/dbraw/zinc/44/81/91/503448191.db2.gz WKLWKRNHBPNDKU-OKZBNKHCSA-N 2 1 364.534 3.128 20 0 FGADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000503650991 503452002 /nfs/dbraw/zinc/45/20/02/503452002.db2.gz SSWDEXHONCZEHS-HXUWFJFHSA-N 2 1 372.557 3.420 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695286 503459482 /nfs/dbraw/zinc/45/94/82/503459482.db2.gz RPZHFHZKXYJJOK-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695286 503459484 /nfs/dbraw/zinc/45/94/84/503459484.db2.gz RPZHFHZKXYJJOK-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695286 503459485 /nfs/dbraw/zinc/45/94/85/503459485.db2.gz RPZHFHZKXYJJOK-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000516163697 503459857 /nfs/dbraw/zinc/45/98/57/503459857.db2.gz QSNDCBHNSSJSAD-QRQLOZEOSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000516163697 503459862 /nfs/dbraw/zinc/45/98/62/503459862.db2.gz QSNDCBHNSSJSAD-QRQLOZEOSA-N 2 1 370.497 3.017 20 0 FGADMP C[NH+](CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000512141379 503467936 /nfs/dbraw/zinc/46/79/36/503467936.db2.gz WQSFGGYBZVRPFY-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000512141379 503467938 /nfs/dbraw/zinc/46/79/38/503467938.db2.gz WQSFGGYBZVRPFY-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000512141379 503467941 /nfs/dbraw/zinc/46/79/41/503467941.db2.gz WQSFGGYBZVRPFY-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882170 503482568 /nfs/dbraw/zinc/48/25/68/503482568.db2.gz FQFVICPXNSBAJS-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503882170 503482571 /nfs/dbraw/zinc/48/25/71/503482571.db2.gz FQFVICPXNSBAJS-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503882170 503482573 /nfs/dbraw/zinc/48/25/73/503482573.db2.gz FQFVICPXNSBAJS-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCN(c2ccccc2CNc2cc(CCOC)cc[nH+]2)CC1 ZINC000508516980 503510501 /nfs/dbraw/zinc/51/05/01/503510501.db2.gz WCWLWCYFMFSULJ-UHFFFAOYSA-N 2 1 354.498 3.025 20 0 FGADMP C/C(=C\c1ccccc1)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000494263182 503515077 /nfs/dbraw/zinc/51/50/77/503515077.db2.gz WEMQDAHYJUTPLT-JIKIWWBOSA-N 2 1 365.521 3.441 20 0 FGADMP C/C(=C\c1ccccc1)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000494263182 503515081 /nfs/dbraw/zinc/51/50/81/503515081.db2.gz WEMQDAHYJUTPLT-JIKIWWBOSA-N 2 1 365.521 3.441 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@H](C(N)=O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512331697 503521948 /nfs/dbraw/zinc/52/19/48/503521948.db2.gz PFXUPIDZVHCJSU-LMNJBCLMSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1cc(NC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)ccn1 ZINC000504149703 503531286 /nfs/dbraw/zinc/53/12/86/503531286.db2.gz FNEWCRCFOLLKFI-MRXNPFEDSA-N 2 1 352.482 3.366 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N[C@@H]1CCC1(C)C ZINC000512386552 503533521 /nfs/dbraw/zinc/53/35/21/503533521.db2.gz GWDRSJNVUIKQAA-LJQANCHMSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000504420582 503572430 /nfs/dbraw/zinc/57/24/30/503572430.db2.gz XIPMLRKQDRZZLW-WOJBJXKFSA-N 2 1 360.546 3.192 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000508849432 503576289 /nfs/dbraw/zinc/57/62/89/503576289.db2.gz BTTUVBLZRJOGQG-JYBIWHBTSA-N 2 1 360.546 3.192 20 0 FGADMP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508852704 503578538 /nfs/dbraw/zinc/57/85/38/503578538.db2.gz NDJWLKYKWXFTFO-CUWPLCDZSA-N 2 1 372.557 3.051 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500250544 503588688 /nfs/dbraw/zinc/58/86/88/503588688.db2.gz OQKHHPLSLNIGDX-RTBURBONSA-N 2 1 372.557 3.165 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000516826858 503594486 /nfs/dbraw/zinc/59/44/86/503594486.db2.gz RSPSLLYHFVFOFT-RXVVDRJESA-N 2 1 369.509 3.250 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000516826858 503594490 /nfs/dbraw/zinc/59/44/90/503594490.db2.gz RSPSLLYHFVFOFT-RXVVDRJESA-N 2 1 369.509 3.250 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625916 503597849 /nfs/dbraw/zinc/59/78/49/503597849.db2.gz QWRFTLFFIBWKGQ-YSFYHYPLSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625916 503597854 /nfs/dbraw/zinc/59/78/54/503597854.db2.gz QWRFTLFFIBWKGQ-YSFYHYPLSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625916 503597860 /nfs/dbraw/zinc/59/78/60/503597860.db2.gz QWRFTLFFIBWKGQ-YSFYHYPLSA-N 2 1 373.610 3.314 20 0 FGADMP Fc1ccc2c(c1)nccc2NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000500462982 503629534 /nfs/dbraw/zinc/62/95/34/503629534.db2.gz DBOULXMDHKSWOG-UHFFFAOYSA-N 2 1 365.456 3.393 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H](C)C1 ZINC000540167746 503695731 /nfs/dbraw/zinc/69/57/31/503695731.db2.gz SHAUGUWETIXABW-BEFAXECRSA-N 2 1 356.457 3.070 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000543287680 503711178 /nfs/dbraw/zinc/71/11/78/503711178.db2.gz KGQJJJPIYZALFT-OALUTQOASA-N 2 1 370.541 3.190 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000540258645 503727042 /nfs/dbraw/zinc/72/70/42/503727042.db2.gz IUCMXEBGSVQPSS-NHCUHLMSSA-N 2 1 371.525 3.016 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000533114168 503735749 /nfs/dbraw/zinc/73/57/49/503735749.db2.gz VIVMEYMZOLFXJZ-SJLPKXTDSA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000533114168 503735753 /nfs/dbraw/zinc/73/57/53/503735753.db2.gz VIVMEYMZOLFXJZ-SJLPKXTDSA-N 2 1 369.513 3.273 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000536837363 503736531 /nfs/dbraw/zinc/73/65/31/503736531.db2.gz GASFTHGYJLSRTR-HKUYNNGSSA-N 2 1 372.513 3.006 20 0 FGADMP CS[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@@H]1[NH+](C)C ZINC000536995213 503773640 /nfs/dbraw/zinc/77/36/40/503773640.db2.gz VLOZAKPSUAMIKX-HOTGVXAUSA-N 2 1 366.328 3.479 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460349 503780495 /nfs/dbraw/zinc/78/04/95/503780495.db2.gz MAYOCCAZOXWBAP-ULQDDVLXSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460349 503780497 /nfs/dbraw/zinc/78/04/97/503780497.db2.gz MAYOCCAZOXWBAP-ULQDDVLXSA-N 2 1 359.514 3.265 20 0 FGADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000546574974 503793534 /nfs/dbraw/zinc/79/35/34/503793534.db2.gz OIJRVOZQHOHMOO-XMSQKQJNSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546574974 503793538 /nfs/dbraw/zinc/79/35/38/503793538.db2.gz OIJRVOZQHOHMOO-XMSQKQJNSA-N 2 1 354.494 3.291 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685870 503806453 /nfs/dbraw/zinc/80/64/53/503806453.db2.gz KLPDITXMJNLHKV-OALUTQOASA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000517685870 503806460 /nfs/dbraw/zinc/80/64/60/503806460.db2.gz KLPDITXMJNLHKV-OALUTQOASA-N 2 1 365.949 3.397 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543597212 503824798 /nfs/dbraw/zinc/82/47/98/503824798.db2.gz ZZFOHVDTZBFHSA-MJGOQNOKSA-N 2 1 364.921 3.109 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000533408761 503834623 /nfs/dbraw/zinc/83/46/23/503834623.db2.gz HHAXJJAFEYBWMJ-UHFFFAOYSA-N 2 1 374.554 3.311 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000533408761 503834627 /nfs/dbraw/zinc/83/46/27/503834627.db2.gz HHAXJJAFEYBWMJ-UHFFFAOYSA-N 2 1 374.554 3.311 20 0 FGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000537204483 503841751 /nfs/dbraw/zinc/84/17/51/503841751.db2.gz QIBNXCMGVSFVCZ-OAQYLSRUSA-N 2 1 359.558 3.322 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000543674753 503848492 /nfs/dbraw/zinc/84/84/92/503848492.db2.gz KUJWKCBKWUXSLG-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@@H+](CCC(=O)NCc1nccn1CCc1ccccc1)C1CCCCC1 ZINC000546722184 503851129 /nfs/dbraw/zinc/85/11/29/503851129.db2.gz VOYDOZSOGOADNG-UHFFFAOYSA-N 2 1 368.525 3.397 20 0 FGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546726175 503853928 /nfs/dbraw/zinc/85/39/28/503853928.db2.gz VIUASTJKXQOVCC-HUUCEWRRSA-N 2 1 365.568 3.458 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889394 503859888 /nfs/dbraw/zinc/85/98/88/503859888.db2.gz KZGQTCIRZWIBKI-GIVPXCGWSA-N 2 1 372.557 3.242 20 0 FGADMP Clc1ccc(-n2ccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000530238738 503888684 /nfs/dbraw/zinc/88/86/84/503888684.db2.gz BNEWXSGKAVFMML-FQEVSTJZSA-N 2 1 374.916 3.116 20 0 FGADMP Fc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)ccc1Br ZINC000530240814 503889841 /nfs/dbraw/zinc/88/98/41/503889841.db2.gz ODPXTTZILQOBND-OAHLLOKOSA-N 2 1 371.294 3.179 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccccc3CC[NH3+])c2)C[C@H](C)O1 ZINC000518208209 503927689 /nfs/dbraw/zinc/92/76/89/503927689.db2.gz UNIJGQGTJYKGIP-CALCHBBNSA-N 2 1 367.493 3.049 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccccc3CC[NH3+])c2)C[C@H](C)O1 ZINC000518208209 503927692 /nfs/dbraw/zinc/92/76/92/503927692.db2.gz UNIJGQGTJYKGIP-CALCHBBNSA-N 2 1 367.493 3.049 20 0 FGADMP CN(c1ccccc1CNC[C@H]1CC[N@@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000527805900 503952369 /nfs/dbraw/zinc/95/23/69/503952369.db2.gz IWJSLMGMPIMUFI-JOCHJYFZSA-N 2 1 370.585 3.324 20 0 FGADMP CN(c1ccccc1CNC[C@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](C)CC1 ZINC000527805900 503952373 /nfs/dbraw/zinc/95/23/73/503952373.db2.gz IWJSLMGMPIMUFI-JOCHJYFZSA-N 2 1 370.585 3.324 20 0 FGADMP Cc1cccc([C@@H]([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)C)c1 ZINC000527814884 503957360 /nfs/dbraw/zinc/95/73/60/503957360.db2.gz YLHNZPLQNIQHKC-FQEVSTJZSA-N 2 1 353.514 3.024 20 0 FGADMP C[C@@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892826 503987517 /nfs/dbraw/zinc/98/75/17/503987517.db2.gz BJFGOXRAEJBNMR-QZTJIDSGSA-N 2 1 356.514 3.239 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)CC1 ZINC000518461397 503991759 /nfs/dbraw/zinc/99/17/59/503991759.db2.gz RORXIGHIKIOVSB-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000518461397 503991761 /nfs/dbraw/zinc/99/17/61/503991761.db2.gz RORXIGHIKIOVSB-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000518461397 503991764 /nfs/dbraw/zinc/99/17/64/503991764.db2.gz RORXIGHIKIOVSB-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000541175965 504032391 /nfs/dbraw/zinc/03/23/91/504032391.db2.gz MEMCZBYDKAPRBW-MJGOQNOKSA-N 2 1 355.448 3.313 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000547273163 504044301 /nfs/dbraw/zinc/04/43/01/504044301.db2.gz MNHFOVXCCQVTBH-HXUWFJFHSA-N 2 1 360.885 3.075 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000547273163 504044306 /nfs/dbraw/zinc/04/43/06/504044306.db2.gz MNHFOVXCCQVTBH-HXUWFJFHSA-N 2 1 360.885 3.075 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216286 504046566 /nfs/dbraw/zinc/04/65/66/504046566.db2.gz KUZNNNMSWMQICX-GJZGRUSLSA-N 2 1 367.921 3.387 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784206 504063148 /nfs/dbraw/zinc/06/31/48/504063148.db2.gz URRHRNFUGUJJTF-SIKLNZKXSA-N 2 1 372.553 3.320 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2cccs2)CC1)CC(C)C ZINC000537994491 504105598 /nfs/dbraw/zinc/10/55/98/504105598.db2.gz FLDBWZBBCNMDSG-UHFFFAOYSA-N 2 1 365.587 3.444 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C/C=C/c2cccc(F)c2)CC1 ZINC000530939911 504135860 /nfs/dbraw/zinc/13/58/60/504135860.db2.gz GWZZZMPTMUYVNL-HWKANZROSA-N 2 1 354.429 3.015 20 0 FGADMP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538128439 504138476 /nfs/dbraw/zinc/13/84/76/504138476.db2.gz OWJZRVKTTZZPCS-NNMXDRDESA-N 2 1 365.521 3.425 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(n2ccnc2)CC1 ZINC000528315671 504166196 /nfs/dbraw/zinc/16/61/96/504166196.db2.gz BKEWOGXTGGAHQV-IBGZPJMESA-N 2 1 372.900 3.365 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(n2ccnc2)CC1 ZINC000528315671 504166201 /nfs/dbraw/zinc/16/62/01/504166201.db2.gz BKEWOGXTGGAHQV-IBGZPJMESA-N 2 1 372.900 3.365 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000541548043 504171233 /nfs/dbraw/zinc/17/12/33/504171233.db2.gz DNOICKHUCSYXBL-QFIPXVFZSA-N 2 1 370.516 3.317 20 0 FGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103496 504190872 /nfs/dbraw/zinc/19/08/72/504190872.db2.gz HZHZTWVTCDDWMD-FCHUYYIVSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103496 504190878 /nfs/dbraw/zinc/19/08/78/504190878.db2.gz HZHZTWVTCDDWMD-FCHUYYIVSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103496 504190883 /nfs/dbraw/zinc/19/08/83/504190883.db2.gz HZHZTWVTCDDWMD-FCHUYYIVSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103496 504190888 /nfs/dbraw/zinc/19/08/88/504190888.db2.gz HZHZTWVTCDDWMD-FCHUYYIVSA-N 2 1 358.526 3.170 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603696 504195707 /nfs/dbraw/zinc/19/57/07/504195707.db2.gz ULKQNGGKUFKFJP-JQLKGVRHSA-N 2 1 373.585 3.170 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603696 504195711 /nfs/dbraw/zinc/19/57/11/504195711.db2.gz ULKQNGGKUFKFJP-JQLKGVRHSA-N 2 1 373.585 3.170 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000531292712 504253650 /nfs/dbraw/zinc/25/36/50/504253650.db2.gz DIWOOGMLVGKFQF-LEWJYISDSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000544783937 504257125 /nfs/dbraw/zinc/25/71/25/504257125.db2.gz XKGMHEISVUTRJV-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccccc2n1C ZINC000534978409 504300208 /nfs/dbraw/zinc/30/02/08/504300208.db2.gz XEKFEUZBCJPIKZ-UHFFFAOYSA-N 2 1 369.557 3.206 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000519696868 504306978 /nfs/dbraw/zinc/30/69/78/504306978.db2.gz DRFGGEIEXXMEML-CQSZACIVSA-N 2 1 368.319 3.099 20 0 FGADMP C(CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011615 504312785 /nfs/dbraw/zinc/31/27/85/504312785.db2.gz DUBVYFKQFANYMU-FNAHDJPLSA-N 2 1 364.574 3.264 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000541985742 504324181 /nfs/dbraw/zinc/32/41/81/504324181.db2.gz LRNSJJQXYIGLAT-HBMCJLEFSA-N 2 1 355.570 3.282 20 0 FGADMP CC[N@H+](Cc1ccc2c(c1)nnn2C)CC1CCN(c2ccccn2)CC1 ZINC000538717198 504339764 /nfs/dbraw/zinc/33/97/64/504339764.db2.gz JSOXQPUKPFUHNK-UHFFFAOYSA-N 2 1 364.497 3.102 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC)C1 ZINC000528703529 504339856 /nfs/dbraw/zinc/33/98/56/504339856.db2.gz PNJWEVURKAWRTD-BHDDXSALSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000528703529 504339857 /nfs/dbraw/zinc/33/98/57/504339857.db2.gz PNJWEVURKAWRTD-BHDDXSALSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000528703529 504339859 /nfs/dbraw/zinc/33/98/59/504339859.db2.gz PNJWEVURKAWRTD-BHDDXSALSA-N 2 1 371.569 3.335 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528711119 504343793 /nfs/dbraw/zinc/34/37/93/504343793.db2.gz YCKIPRNPQHMMJE-LJQANCHMSA-N 2 1 372.513 3.087 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(cccc3C(F)(F)F)C2)CC1 ZINC000528713278 504344728 /nfs/dbraw/zinc/34/47/28/504344728.db2.gz COTMPWPELXZVOQ-UHFFFAOYSA-N 2 1 369.475 3.480 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cccc(C(F)(F)F)c3C2)CC1 ZINC000528792235 504384744 /nfs/dbraw/zinc/38/47/44/504384744.db2.gz BXMALLMTLHGFOB-UHFFFAOYSA-N 2 1 369.475 3.480 20 0 FGADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709080 504399747 /nfs/dbraw/zinc/39/97/47/504399747.db2.gz DYDIOEPCKZQGPK-ZWKOTPCHSA-N 2 1 351.922 3.151 20 0 FGADMP CCOc1c(Br)cc(C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000520236321 504443381 /nfs/dbraw/zinc/44/33/81/504443381.db2.gz UCKVBRHOIWBQAW-UHFFFAOYSA-N 2 1 371.319 3.417 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1)CC(C)C ZINC000539097026 504470820 /nfs/dbraw/zinc/47/08/20/504470820.db2.gz PJERCUDERPCNNZ-UHFFFAOYSA-N 2 1 370.541 3.275 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000532042688 504516058 /nfs/dbraw/zinc/51/60/58/504516058.db2.gz UDAULASMZSEKTJ-UHFFFAOYSA-N 3 1 370.585 3.183 20 0 FGADMP c1c(C[NH2+]CCC[NH+]2CCC2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000535760094 504534889 /nfs/dbraw/zinc/53/48/89/504534889.db2.gz JPNBDQLJDKUEQT-UHFFFAOYSA-N 2 1 361.493 3.179 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730143 504544540 /nfs/dbraw/zinc/54/45/40/504544540.db2.gz NGFVXKUYIDUCRT-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP COc1ccc([C@H](C)C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000539381634 504549457 /nfs/dbraw/zinc/54/94/57/504549457.db2.gz JNVXDXJWZXGQTP-XLIONFOSSA-N 2 1 373.566 3.439 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807534 504551102 /nfs/dbraw/zinc/55/11/02/504551102.db2.gz QEMIJZUTJWGAGR-CEXWTWQISA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807534 504551107 /nfs/dbraw/zinc/55/11/07/504551107.db2.gz QEMIJZUTJWGAGR-CEXWTWQISA-N 2 1 374.916 3.414 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188201 504567440 /nfs/dbraw/zinc/56/74/40/504567440.db2.gz LQMJQTQXYQGEPJ-MOPGFXCFSA-N 2 1 371.550 3.322 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535939325 504588579 /nfs/dbraw/zinc/58/85/79/504588579.db2.gz XONXZKXTZYXOFA-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(F)c2F)[C@H](c2ccccc2)C1 ZINC000520951801 504615625 /nfs/dbraw/zinc/61/56/25/504615625.db2.gz MVZRBIUNPGGFQY-FQEVSTJZSA-N 2 1 359.464 3.433 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290644 504621650 /nfs/dbraw/zinc/62/16/50/504621650.db2.gz UJBRJIVYRJXHGC-PXNSSMCTSA-N 2 1 370.541 3.002 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000521001353 504627396 /nfs/dbraw/zinc/62/73/96/504627396.db2.gz QZOBISWQMAIEOO-IERDGZPVSA-N 2 1 364.493 3.117 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000532479465 504665338 /nfs/dbraw/zinc/66/53/38/504665338.db2.gz QDZUPBQHMFQMFN-HUUCEWRRSA-N 2 1 367.921 3.387 20 0 FGADMP C[N@@H+](CCC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCCCC1 ZINC000546016206 504675329 /nfs/dbraw/zinc/67/53/29/504675329.db2.gz RNPMZSWJFMQNOT-UHFFFAOYSA-N 2 1 367.603 3.119 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532520308 504681177 /nfs/dbraw/zinc/68/11/77/504681177.db2.gz OSGOOODUGSCHTN-GHTZIAJQSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532520308 504681184 /nfs/dbraw/zinc/68/11/84/504681184.db2.gz OSGOOODUGSCHTN-GHTZIAJQSA-N 2 1 365.525 3.088 20 0 FGADMP O=C(Nc1cccc2c1CC[NH2+]C2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000521214493 504681859 /nfs/dbraw/zinc/68/18/59/504681859.db2.gz AHVUQCATOONBNO-UHFFFAOYSA-N 2 1 364.493 3.072 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000521309787 504706219 /nfs/dbraw/zinc/70/62/19/504706219.db2.gz WJRZMLFLKCEKSG-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000521319754 504708026 /nfs/dbraw/zinc/70/80/26/504708026.db2.gz LKBSCEXGRSVQCY-IFMALSPDSA-N 2 1 354.494 3.025 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895582 504732941 /nfs/dbraw/zinc/73/29/41/504732941.db2.gz FBWWEMAMNUSEFI-VSKRKVRLSA-N 2 1 351.494 3.432 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCC[C@H]3CCC3CCCC3)cn2)CC1 ZINC000539895998 504734074 /nfs/dbraw/zinc/73/40/74/504734074.db2.gz HFGVOVVPVRYLFE-FQEVSTJZSA-N 2 1 357.546 3.163 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCC[C@H]3CCC3CCCC3)cn2)CC1 ZINC000539895998 504734077 /nfs/dbraw/zinc/73/40/77/504734077.db2.gz HFGVOVVPVRYLFE-FQEVSTJZSA-N 2 1 357.546 3.163 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899336 504734965 /nfs/dbraw/zinc/73/49/65/504734965.db2.gz DRFQOPILYOGUIM-CTNGQTDRSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536486998 504746677 /nfs/dbraw/zinc/74/66/77/504746677.db2.gz XXKGWUXJVAMISQ-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP CCCCCNC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000536487937 504747112 /nfs/dbraw/zinc/74/71/12/504747112.db2.gz JEMDPRPMXWUXOB-UHFFFAOYSA-N 2 1 357.542 3.281 20 0 FGADMP COC[C@@]1([NH2+]C2CC[NH+](C3CCCCC3)CC2)COc2ccccc2C1 ZINC000529667728 504756129 /nfs/dbraw/zinc/75/61/29/504756129.db2.gz CUIYQBRQFPVXTB-JOCHJYFZSA-N 2 1 358.526 3.393 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000559069552 504773219 /nfs/dbraw/zinc/77/32/19/504773219.db2.gz OWFZLDJAPCTZGZ-HXUWFJFHSA-N 2 1 370.541 3.328 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000565026622 504774192 /nfs/dbraw/zinc/77/41/92/504774192.db2.gz VSIVAAWPPNWTNL-KSSFIOAISA-N 2 1 351.922 3.131 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000559151791 504792350 /nfs/dbraw/zinc/79/23/50/504792350.db2.gz QIDRLXAEJSXGDC-FKKSXTGDSA-N 2 1 370.512 3.475 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000562358138 504794219 /nfs/dbraw/zinc/79/42/19/504794219.db2.gz ZCHAJRVBEZUKKT-IBGZPJMESA-N 2 1 371.525 3.416 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000562358138 504794222 /nfs/dbraw/zinc/79/42/22/504794222.db2.gz ZCHAJRVBEZUKKT-IBGZPJMESA-N 2 1 371.525 3.416 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000556120678 504801487 /nfs/dbraw/zinc/80/14/87/504801487.db2.gz WNNAWYQGHCDKBA-QUCCMNQESA-N 2 1 368.477 3.407 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000556120678 504801489 /nfs/dbraw/zinc/80/14/89/504801489.db2.gz WNNAWYQGHCDKBA-QUCCMNQESA-N 2 1 368.477 3.407 20 0 FGADMP c1cc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc(-c2ccncc2)c1 ZINC000565227854 504830429 /nfs/dbraw/zinc/83/04/29/504830429.db2.gz BZJBCTMQQISKKM-QFIPXVFZSA-N 2 1 351.494 3.435 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270141 504832680 /nfs/dbraw/zinc/83/26/80/504832680.db2.gz ZVYIWHXRMUDYMG-VOFPXKNKSA-N 2 1 368.525 3.102 20 0 FGADMP CC(C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCC(C)CC1 ZINC000565265115 504837491 /nfs/dbraw/zinc/83/74/91/504837491.db2.gz NVNPYUVBBPFUME-GOSISDBHSA-N 2 1 350.576 3.458 20 0 FGADMP O[C@H](C[NH2+][C@H]1CCCCc2cc(Br)ccc21)C[NH+]1CCCC1 ZINC000549523468 504841403 /nfs/dbraw/zinc/84/14/03/504841403.db2.gz ULAMKGICCROHGU-AEFFLSMTSA-N 2 1 367.331 3.263 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CCn1c2ccccc2nc1C1CC1 ZINC000553332711 504886556 /nfs/dbraw/zinc/88/65/56/504886556.db2.gz NXXNDBWHPMEGKZ-KRWDZBQOSA-N 2 1 354.498 3.294 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000549749752 504887232 /nfs/dbraw/zinc/88/72/32/504887232.db2.gz HRXNNEVVFXJWMP-OAQYLSRUSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C2CCC3(CCCO3)CC2)[C@@H](c2ccccc2)C1 ZINC000556510388 504893561 /nfs/dbraw/zinc/89/35/61/504893561.db2.gz JRRYQQICKLYXPU-OOMBGRCJSA-N 2 1 371.569 3.447 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc2ccccc21 ZINC000562649618 504894515 /nfs/dbraw/zinc/89/45/15/504894515.db2.gz NITNMLGETRVGAR-NRFANRHFSA-N 2 1 367.537 3.449 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000553405062 504905583 /nfs/dbraw/zinc/90/55/83/504905583.db2.gz ZGVYRWWKELSUSW-OAQYLSRUSA-N 2 1 369.509 3.225 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553405062 504905585 /nfs/dbraw/zinc/90/55/85/504905585.db2.gz ZGVYRWWKELSUSW-OAQYLSRUSA-N 2 1 369.509 3.225 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553405062 504905591 /nfs/dbraw/zinc/90/55/91/504905591.db2.gz ZGVYRWWKELSUSW-OAQYLSRUSA-N 2 1 369.509 3.225 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559737941 504918860 /nfs/dbraw/zinc/91/88/60/504918860.db2.gz YSVPPVTVDZWQST-JYRKZWEQSA-N 2 1 359.558 3.299 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559737941 504918864 /nfs/dbraw/zinc/91/88/64/504918864.db2.gz YSVPPVTVDZWQST-JYRKZWEQSA-N 2 1 359.558 3.299 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861090 504920123 /nfs/dbraw/zinc/92/01/23/504920123.db2.gz XVDZJTRVHIIYFM-UNMCSNQZSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861090 504920125 /nfs/dbraw/zinc/92/01/25/504920125.db2.gz XVDZJTRVHIIYFM-UNMCSNQZSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861090 504920130 /nfs/dbraw/zinc/92/01/30/504920130.db2.gz XVDZJTRVHIIYFM-UNMCSNQZSA-N 2 1 356.485 3.183 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742854 504921365 /nfs/dbraw/zinc/92/13/65/504921365.db2.gz GQLYLJCLAMNTAR-UGESXGAOSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559742854 504921367 /nfs/dbraw/zinc/92/13/67/504921367.db2.gz GQLYLJCLAMNTAR-UGESXGAOSA-N 3 1 359.558 3.301 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000559789666 504928076 /nfs/dbraw/zinc/92/80/76/504928076.db2.gz QDXRNJHJFCCNGN-IRLDBZIGSA-N 2 1 360.505 3.494 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000559789666 504928081 /nfs/dbraw/zinc/92/80/81/504928081.db2.gz QDXRNJHJFCCNGN-IRLDBZIGSA-N 2 1 360.505 3.494 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000553487303 504929341 /nfs/dbraw/zinc/92/93/41/504929341.db2.gz SCLJSGXIFRFSTA-OAQYLSRUSA-N 2 1 372.557 3.018 20 0 FGADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896618 504946842 /nfs/dbraw/zinc/94/68/42/504946842.db2.gz VSQNTSUCPFFDCD-LVCYWYKZSA-N 2 1 355.530 3.324 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000550128071 504972399 /nfs/dbraw/zinc/97/23/99/504972399.db2.gz XOPOBDJOHCHGRV-LEWJYISDSA-N 2 1 353.510 3.316 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238379 504999951 /nfs/dbraw/zinc/99/99/51/504999951.db2.gz CYFLTURBGBUFRW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238379 504999955 /nfs/dbraw/zinc/99/99/55/504999955.db2.gz CYFLTURBGBUFRW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238379 504999958 /nfs/dbraw/zinc/99/99/58/504999958.db2.gz CYFLTURBGBUFRW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238379 504999963 /nfs/dbraw/zinc/99/99/63/504999963.db2.gz CYFLTURBGBUFRW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556886238 505007279 /nfs/dbraw/zinc/00/72/79/505007279.db2.gz KDNUJPUOQOXSOO-XUVXKRRUSA-N 2 1 357.542 3.039 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000556909925 505014484 /nfs/dbraw/zinc/01/44/84/505014484.db2.gz MVZBEXHCKFLOOO-XRXFAXGQSA-N 2 1 350.510 3.371 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000556909925 505014485 /nfs/dbraw/zinc/01/44/85/505014485.db2.gz MVZBEXHCKFLOOO-XRXFAXGQSA-N 2 1 350.510 3.371 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000563060545 505036554 /nfs/dbraw/zinc/03/65/54/505036554.db2.gz IJWVGVJIHHJLDC-UIFIKXQLSA-N 2 1 357.542 3.442 20 0 FGADMP COc1nc2ccccc2cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000560327713 505047005 /nfs/dbraw/zinc/04/70/05/505047005.db2.gz MZDOHLUNXNGGPT-CALCHBBNSA-N 2 1 357.498 3.222 20 0 FGADMP COc1sc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000563134949 505057495 /nfs/dbraw/zinc/05/74/95/505057495.db2.gz APXCOJWVZFEQJP-LBPRGKRZSA-N 2 1 359.333 3.341 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000563208167 505076684 /nfs/dbraw/zinc/07/66/84/505076684.db2.gz UXKOPTJHWYNTQQ-DYESRHJHSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000563208167 505076688 /nfs/dbraw/zinc/07/66/88/505076688.db2.gz UXKOPTJHWYNTQQ-DYESRHJHSA-N 2 1 373.541 3.198 20 0 FGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000554072041 505081479 /nfs/dbraw/zinc/08/14/79/505081479.db2.gz OZAVCZNIJFFLEW-ZCNNSNEGSA-N 2 1 357.542 3.298 20 0 FGADMP C[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000550700347 505086309 /nfs/dbraw/zinc/08/63/09/505086309.db2.gz GASOQRJJKYWSGV-FGZHOGPDSA-N 2 1 371.569 3.447 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000554145693 505105014 /nfs/dbraw/zinc/10/50/14/505105014.db2.gz VNMRRMUNMHTKMP-AQNXPRMDSA-N 2 1 358.530 3.252 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524568 505115018 /nfs/dbraw/zinc/11/50/18/505115018.db2.gz GKBMMFPHZUOJRU-BJLQDIEVSA-N 2 1 371.529 3.055 20 0 FGADMP COCC[N@@H+](CCCc1cncn1C)Cc1ccc(Br)s1 ZINC000563352296 505117433 /nfs/dbraw/zinc/11/74/33/505117433.db2.gz BSHIHPYFQAYGRC-UHFFFAOYSA-N 2 1 372.332 3.325 20 0 FGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(Br)s1 ZINC000563352296 505117437 /nfs/dbraw/zinc/11/74/37/505117437.db2.gz BSHIHPYFQAYGRC-UHFFFAOYSA-N 2 1 372.332 3.325 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCc1ccc(C)nc1)[C@H]1CC12CC[NH2+]CC2 ZINC000566230481 505119243 /nfs/dbraw/zinc/11/92/43/505119243.db2.gz FBYQCSJXRRFIAC-FQEVSTJZSA-N 2 1 367.541 3.183 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)C1CC[NH+](C2CC2)CC1 ZINC000557458953 505140526 /nfs/dbraw/zinc/14/05/26/505140526.db2.gz FNSUNBUXGCKXDW-FQEVSTJZSA-N 2 1 367.493 3.101 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551070112 505151947 /nfs/dbraw/zinc/15/19/47/505151947.db2.gz TXYYTGWGJBVSOE-SFHLNBCPSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000551070112 505151950 /nfs/dbraw/zinc/15/19/50/505151950.db2.gz TXYYTGWGJBVSOE-SFHLNBCPSA-N 2 1 351.579 3.071 20 0 FGADMP CNC(=O)CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000566413095 505168576 /nfs/dbraw/zinc/16/85/76/505168576.db2.gz ARBFVJUEUAFMEQ-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CNC(=O)CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000566413095 505168582 /nfs/dbraw/zinc/16/85/82/505168582.db2.gz ARBFVJUEUAFMEQ-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP COc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1O ZINC000563655102 505202926 /nfs/dbraw/zinc/20/29/26/505202926.db2.gz HELRXOZRONJHPX-WOJBJXKFSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cc1O ZINC000563655102 505202932 /nfs/dbraw/zinc/20/29/32/505202932.db2.gz HELRXOZRONJHPX-WOJBJXKFSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cc1O ZINC000563655102 505202937 /nfs/dbraw/zinc/20/29/37/505202937.db2.gz HELRXOZRONJHPX-WOJBJXKFSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1O ZINC000563655102 505202941 /nfs/dbraw/zinc/20/29/41/505202941.db2.gz HELRXOZRONJHPX-WOJBJXKFSA-N 2 1 352.478 3.355 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556288 505204567 /nfs/dbraw/zinc/20/45/67/505204567.db2.gz JXBZIQDJDRVUQV-GRCLEANCSA-N 2 1 366.933 3.385 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664699 505204908 /nfs/dbraw/zinc/20/49/08/505204908.db2.gz AEHLSBKNZBTNSM-SJORKVTESA-N 2 1 362.493 3.049 20 0 FGADMP COc1ccc2c(c1)CN(C[C@@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000551382240 505213563 /nfs/dbraw/zinc/21/35/63/505213563.db2.gz NAQBJOGBYJPAKY-QHCPKHFHSA-N 2 1 366.505 3.344 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160561 505268098 /nfs/dbraw/zinc/26/80/98/505268098.db2.gz ITCOOBPDHPUKEB-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160561 505268103 /nfs/dbraw/zinc/26/81/03/505268103.db2.gz ITCOOBPDHPUKEB-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160561 505268106 /nfs/dbraw/zinc/26/81/06/505268106.db2.gz ITCOOBPDHPUKEB-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160561 505268109 /nfs/dbraw/zinc/26/81/09/505268109.db2.gz ITCOOBPDHPUKEB-FGZHOGPDSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]3Cc3ccccc3)CC2)CC1 ZINC000566806305 505277637 /nfs/dbraw/zinc/27/76/37/505277637.db2.gz QDSOUGBIBAOJIP-QFIPXVFZSA-N 2 1 369.553 3.026 20 0 FGADMP CC[NH+](CC)CCC[N@H+](CC)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000554884440 505289583 /nfs/dbraw/zinc/28/95/83/505289583.db2.gz PLQDWPWLGPHIFG-UHFFFAOYSA-N 2 1 372.513 3.402 20 0 FGADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000554884440 505289586 /nfs/dbraw/zinc/28/95/86/505289586.db2.gz PLQDWPWLGPHIFG-UHFFFAOYSA-N 2 1 372.513 3.402 20 0 FGADMP CCC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)CC(C)C ZINC000558060295 505298794 /nfs/dbraw/zinc/29/87/94/505298794.db2.gz LEWJCGUBSKKIKT-UHFFFAOYSA-N 2 1 359.558 3.444 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000561426528 505342023 /nfs/dbraw/zinc/34/20/23/505342023.db2.gz MRAGAWCKDJYKHO-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000561426528 505342028 /nfs/dbraw/zinc/34/20/28/505342028.db2.gz MRAGAWCKDJYKHO-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000561426528 505342031 /nfs/dbraw/zinc/34/20/31/505342031.db2.gz MRAGAWCKDJYKHO-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552025897 505374178 /nfs/dbraw/zinc/37/41/78/505374178.db2.gz PICFDUIWWZQAAN-UIBIWLFHSA-N 2 1 365.949 3.363 20 0 FGADMP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000552065580 505387799 /nfs/dbraw/zinc/38/77/99/505387799.db2.gz FXGXCSFLLRWHOF-KJJMTIBFSA-N 2 1 364.537 3.478 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)C[C@H](C)O1 ZINC000555256142 505392463 /nfs/dbraw/zinc/39/24/63/505392463.db2.gz RBARCYSCGJZLOF-IRXDYDNUSA-N 2 1 371.525 3.109 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000564500174 505435309 /nfs/dbraw/zinc/43/53/09/505435309.db2.gz STUFUXUEUAFOSP-WOJBJXKFSA-N 2 1 368.525 3.347 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000564500174 505435311 /nfs/dbraw/zinc/43/53/11/505435311.db2.gz STUFUXUEUAFOSP-WOJBJXKFSA-N 2 1 368.525 3.347 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000567351303 505438275 /nfs/dbraw/zinc/43/82/75/505438275.db2.gz FXFBBSKVSNOXPL-JOCHJYFZSA-N 2 1 369.484 3.092 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1 ZINC000567351303 505438282 /nfs/dbraw/zinc/43/82/82/505438282.db2.gz FXFBBSKVSNOXPL-JOCHJYFZSA-N 2 1 369.484 3.092 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@H]2CCC[C@@H]21 ZINC000552281959 505449506 /nfs/dbraw/zinc/44/95/06/505449506.db2.gz PXDQGJFURQETFQ-PMPSAXMXSA-N 2 1 357.420 3.028 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000564568046 505455548 /nfs/dbraw/zinc/45/55/48/505455548.db2.gz MCFPWASTITXJPG-SFHVURJKSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000552344056 505468086 /nfs/dbraw/zinc/46/80/86/505468086.db2.gz VRFQGOZCQULICH-OAQYLSRUSA-N 2 1 356.514 3.113 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000564680106 505490515 /nfs/dbraw/zinc/49/05/15/505490515.db2.gz QQZNGMJXLSWDQN-UHFFFAOYSA-N 2 1 360.527 3.426 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cc(C)ccc2n1 ZINC000555683995 505491091 /nfs/dbraw/zinc/49/10/91/505491091.db2.gz OEQXJFYBUDZOCD-IBGZPJMESA-N 2 1 368.525 3.031 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@@H]21 ZINC000564728494 505504435 /nfs/dbraw/zinc/50/44/35/505504435.db2.gz BLPIOGNIOLNHQZ-VHDGCEQUSA-N 2 1 366.387 3.315 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@@H]21 ZINC000564728494 505504439 /nfs/dbraw/zinc/50/44/39/505504439.db2.gz BLPIOGNIOLNHQZ-VHDGCEQUSA-N 2 1 366.387 3.315 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645460 505523702 /nfs/dbraw/zinc/52/37/02/505523702.db2.gz NRDZZWSFGLQDBN-WOJBJXKFSA-N 2 1 368.525 3.078 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645460 505523705 /nfs/dbraw/zinc/52/37/05/505523705.db2.gz NRDZZWSFGLQDBN-WOJBJXKFSA-N 2 1 368.525 3.078 20 0 FGADMP CC[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000562195387 505537298 /nfs/dbraw/zinc/53/72/98/505537298.db2.gz BUFWATRZUFXAKT-QFIPXVFZSA-N 2 1 367.537 3.318 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000567706551 505544381 /nfs/dbraw/zinc/54/43/81/505544381.db2.gz WBHUBIHCDFRIKX-GGAORHGYSA-N 2 1 365.521 3.067 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000564938733 505561998 /nfs/dbraw/zinc/56/19/98/505561998.db2.gz SHCXGVQJODUBHH-LVCYWYKZSA-N 2 1 372.557 3.012 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000564987706 505565655 /nfs/dbraw/zinc/56/56/55/505565655.db2.gz GJQTZXXEFFQYFV-XQRZMJPBSA-N 2 1 365.521 3.465 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567896710 505570362 /nfs/dbraw/zinc/57/03/62/505570362.db2.gz KGXVBUUSFXBVKV-CRAIPNDOSA-N 2 1 350.532 3.365 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000608061195 506402740 /nfs/dbraw/zinc/40/27/40/506402740.db2.gz GCKDFHPAJCUNGT-JSGCOSHPSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000608061195 506402744 /nfs/dbraw/zinc/40/27/44/506402744.db2.gz GCKDFHPAJCUNGT-JSGCOSHPSA-N 2 1 371.319 3.429 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000589209027 506485522 /nfs/dbraw/zinc/48/55/22/506485522.db2.gz KMORRMCRIVOUFN-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000589209027 506485528 /nfs/dbraw/zinc/48/55/28/506485528.db2.gz KMORRMCRIVOUFN-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000589209027 506485533 /nfs/dbraw/zinc/48/55/33/506485533.db2.gz KMORRMCRIVOUFN-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1C ZINC000596650326 506510354 /nfs/dbraw/zinc/51/03/54/506510354.db2.gz OYCQVRJKTPOBRQ-MLCHDBGUSA-N 2 1 362.489 3.229 20 0 FGADMP Brc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517244 506539899 /nfs/dbraw/zinc/53/98/99/506539899.db2.gz KJEZDYBHEVKFPQ-QGZVFWFLSA-N 2 1 353.304 3.182 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000583136784 506609697 /nfs/dbraw/zinc/60/96/97/506609697.db2.gz RFIYUJUZBVJXBR-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000583136784 506609703 /nfs/dbraw/zinc/60/97/03/506609703.db2.gz RFIYUJUZBVJXBR-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000583136784 506609711 /nfs/dbraw/zinc/60/97/11/506609711.db2.gz RFIYUJUZBVJXBR-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CCCCC1 ZINC000608617256 506633633 /nfs/dbraw/zinc/63/36/33/506633633.db2.gz UYUSLABVRXJHGP-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608650977 506648897 /nfs/dbraw/zinc/64/88/97/506648897.db2.gz VQGCYZVBDSVRCQ-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP CCc1ccc([C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000589906931 506676164 /nfs/dbraw/zinc/67/61/64/506676164.db2.gz BYDUUAXLAIWOLC-INIZCTEOSA-N 2 1 352.482 3.138 20 0 FGADMP CC[NH+](Cc1cccc(C[N@@H+](CC)C[C@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000604052043 506698463 /nfs/dbraw/zinc/69/84/63/506698463.db2.gz DVICPEWTZNYMJT-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@@H]2CCOC2)cc1)C[C@@H]1CCOC1 ZINC000604054183 506700927 /nfs/dbraw/zinc/70/09/27/506700927.db2.gz YFNCYKIMMODPPU-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317081 506713982 /nfs/dbraw/zinc/71/39/82/506713982.db2.gz PHNAJNUKHHTGMK-HKUYNNGSSA-N 2 1 363.505 3.229 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325214 506718340 /nfs/dbraw/zinc/71/83/40/506718340.db2.gz FJWOCOYZTCQTQP-QWHCGFSZSA-N 2 1 353.297 3.463 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325214 506718342 /nfs/dbraw/zinc/71/83/42/506718342.db2.gz FJWOCOYZTCQTQP-QWHCGFSZSA-N 2 1 353.297 3.463 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491482 506808069 /nfs/dbraw/zinc/80/80/69/506808069.db2.gz YWSKTVTVJDTPMV-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491482 506808077 /nfs/dbraw/zinc/80/80/77/506808077.db2.gz YWSKTVTVJDTPMV-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491482 506808083 /nfs/dbraw/zinc/80/80/83/506808083.db2.gz YWSKTVTVJDTPMV-GMAHTHKFSA-N 2 1 369.553 3.374 20 0 FGADMP CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000583648174 506893895 /nfs/dbraw/zinc/89/38/95/506893895.db2.gz AEYSLDLYYNGJKZ-FQEVSTJZSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103882 506941788 /nfs/dbraw/zinc/94/17/88/506941788.db2.gz QHEHDHLGNCTNHF-FGYAAKKASA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103882 506941792 /nfs/dbraw/zinc/94/17/92/506941792.db2.gz QHEHDHLGNCTNHF-FGYAAKKASA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103882 506941796 /nfs/dbraw/zinc/94/17/96/506941796.db2.gz QHEHDHLGNCTNHF-FGYAAKKASA-N 2 1 366.594 3.307 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000590786778 506958872 /nfs/dbraw/zinc/95/88/72/506958872.db2.gz MMMMCCCVFAEFBZ-MRXNPFEDSA-N 2 1 365.949 3.397 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]3CCCC[NH+]3C[C@H]2C)cc1)C1CC1 ZINC000604967543 507008763 /nfs/dbraw/zinc/00/87/63/507008763.db2.gz DGAHAPCJBCGDDO-DYESRHJHSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)cc1)C1CC1 ZINC000604967543 507008766 /nfs/dbraw/zinc/00/87/66/507008766.db2.gz DGAHAPCJBCGDDO-DYESRHJHSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)cc1)C1CC1 ZINC000604967543 507008770 /nfs/dbraw/zinc/00/87/70/507008770.db2.gz DGAHAPCJBCGDDO-DYESRHJHSA-N 2 1 355.526 3.370 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491524 507117553 /nfs/dbraw/zinc/11/75/53/507117553.db2.gz VVLSDXDSIWRHTP-OAQYLSRUSA-N 2 1 362.558 3.487 20 0 FGADMP CC(C[NH+]1CC[C@@H](c2cccnc2)C1)C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000584051173 507123849 /nfs/dbraw/zinc/12/38/49/507123849.db2.gz LFQDRPQAQIEIOR-FGZHOGPDSA-N 2 1 350.510 3.392 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000600966709 507210391 /nfs/dbraw/zinc/21/03/91/507210391.db2.gz BFDCYSLTVOKMSP-SFHVURJKSA-N 2 1 357.542 3.012 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000600966709 507210399 /nfs/dbraw/zinc/21/03/99/507210399.db2.gz BFDCYSLTVOKMSP-SFHVURJKSA-N 2 1 357.542 3.012 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000600966709 507210408 /nfs/dbraw/zinc/21/04/08/507210408.db2.gz BFDCYSLTVOKMSP-SFHVURJKSA-N 2 1 357.542 3.012 20 0 FGADMP C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000605506652 507223821 /nfs/dbraw/zinc/22/38/21/507223821.db2.gz YTNNNTGICKSAJZ-DYESRHJHSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](C(=O)NC[C@H](C1CCCCC1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000605506652 507223827 /nfs/dbraw/zinc/22/38/27/507223827.db2.gz YTNNNTGICKSAJZ-DYESRHJHSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591554162 507290252 /nfs/dbraw/zinc/29/02/52/507290252.db2.gz UWWONNPSCQXIIJ-QZTJIDSGSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000591554162 507290261 /nfs/dbraw/zinc/29/02/61/507290261.db2.gz UWWONNPSCQXIIJ-QZTJIDSGSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000591554162 507290272 /nfs/dbraw/zinc/29/02/72/507290272.db2.gz UWWONNPSCQXIIJ-QZTJIDSGSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000584341713 507291209 /nfs/dbraw/zinc/29/12/09/507291209.db2.gz JOBFEEVNPOSJHC-QRVBRYPASA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000584341713 507291216 /nfs/dbraw/zinc/29/12/16/507291216.db2.gz JOBFEEVNPOSJHC-QRVBRYPASA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000584341711 507292474 /nfs/dbraw/zinc/29/24/74/507292474.db2.gz JOBFEEVNPOSJHC-IPMKNSEASA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000584341711 507292476 /nfs/dbraw/zinc/29/24/76/507292476.db2.gz JOBFEEVNPOSJHC-IPMKNSEASA-N 2 1 353.514 3.141 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000601338732 507339273 /nfs/dbraw/zinc/33/92/73/507339273.db2.gz BGOVUEJVZIVRTO-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000601338732 507339281 /nfs/dbraw/zinc/33/92/81/507339281.db2.gz BGOVUEJVZIVRTO-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000601338732 507339289 /nfs/dbraw/zinc/33/92/89/507339289.db2.gz BGOVUEJVZIVRTO-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000601341166 507339705 /nfs/dbraw/zinc/33/97/05/507339705.db2.gz KPJLVBGZPWIEHO-MSOLQXFVSA-N 2 1 352.567 3.059 20 0 FGADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000595020123 507356793 /nfs/dbraw/zinc/35/67/93/507356793.db2.gz URWGYZURMSQZFO-QGZVFWFLSA-N 2 1 368.562 3.368 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC/C=C/c1ccccc1 ZINC000606360889 507374637 /nfs/dbraw/zinc/37/46/37/507374637.db2.gz YLSNMCIZYFPDNO-LNYGYFNRSA-N 2 1 357.542 3.355 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360891 507375068 /nfs/dbraw/zinc/37/50/68/507375068.db2.gz YLSNMCIZYFPDNO-YDTSGJJXSA-N 2 1 357.542 3.355 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000584588333 507428123 /nfs/dbraw/zinc/42/81/23/507428123.db2.gz BDBKXMXQOYAMNG-HLAWJBBLSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2c2ccc(C)cc2)CC1 ZINC000606540852 507438818 /nfs/dbraw/zinc/43/88/18/507438818.db2.gz NYWBUAAXUDWXQZ-GCJKJVERSA-N 2 1 357.542 3.369 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584839532 507534290 /nfs/dbraw/zinc/53/42/90/507534290.db2.gz BOJLTXZBEUNCGU-NOXHYTERSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584839532 507534297 /nfs/dbraw/zinc/53/42/97/507534297.db2.gz BOJLTXZBEUNCGU-NOXHYTERSA-N 2 1 355.404 3.092 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000592391688 507635276 /nfs/dbraw/zinc/63/52/76/507635276.db2.gz ACEIHHRNJRNDQI-CQSZACIVSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000592391688 507635284 /nfs/dbraw/zinc/63/52/84/507635284.db2.gz ACEIHHRNJRNDQI-CQSZACIVSA-N 2 1 361.313 3.149 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H]1C ZINC000592402781 507642097 /nfs/dbraw/zinc/64/20/97/507642097.db2.gz JNLXCVYQPLAMFC-RQXATKFSSA-N 2 1 358.526 3.289 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)CC(C)C ZINC000592483672 507675119 /nfs/dbraw/zinc/67/51/19/507675119.db2.gz HFJAFNRBCFCYGV-IEBWSBKVSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000595816036 507699127 /nfs/dbraw/zinc/69/91/27/507699127.db2.gz BMAKGSNNXWKGMM-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465338 507717615 /nfs/dbraw/zinc/71/76/15/507717615.db2.gz PQQMGZAEKJMLLO-SFHVURJKSA-N 2 1 355.448 3.003 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)on1 ZINC000602514107 507733367 /nfs/dbraw/zinc/73/33/67/507733367.db2.gz HLHYZBCTLQYDHC-MRXNPFEDSA-N 2 1 371.481 3.373 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)on1 ZINC000602514107 507733374 /nfs/dbraw/zinc/73/33/74/507733374.db2.gz HLHYZBCTLQYDHC-MRXNPFEDSA-N 2 1 371.481 3.373 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000602515934 507734472 /nfs/dbraw/zinc/73/44/72/507734472.db2.gz FBIJHPZBOWLFAW-MNOVXSKESA-N 2 1 362.280 3.069 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000602515934 507734478 /nfs/dbraw/zinc/73/44/78/507734478.db2.gz FBIJHPZBOWLFAW-MNOVXSKESA-N 2 1 362.280 3.069 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]c1 ZINC000480512976 514984396 /nfs/dbraw/zinc/98/43/96/514984396.db2.gz CGNCXLCAWDQOAP-XLIONFOSSA-N 2 1 369.513 3.183 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669117753 568033260 /nfs/dbraw/zinc/03/32/60/568033260.db2.gz FHPGJABTWLDWIY-YLJYHZDGSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412157 606173303 /nfs/dbraw/zinc/17/33/03/606173303.db2.gz KPERSWWWHNBGDH-HNNXBMFYSA-N 2 1 354.502 3.314 20 0 FGADMP Clc1nc2ccccc2cc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682768 700238149 /nfs/dbraw/zinc/23/81/49/700238149.db2.gz XOSHEHAAPGIOLY-UHFFFAOYSA-N 2 1 359.901 3.432 20 0 FGADMP FC(F)(F)COc1ccccc1C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151232002 704916187 /nfs/dbraw/zinc/91/61/87/704916187.db2.gz CPEPZCMPWLCVIV-UHFFFAOYSA-N 2 1 351.372 3.345 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1c(O)ccc(Cl)c1F ZINC000190907150 712826361 /nfs/dbraw/zinc/82/63/61/712826361.db2.gz PYHBDDHJJXNASN-UHFFFAOYSA-N 2 1 352.837 3.415 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000195174524 713548180 /nfs/dbraw/zinc/54/81/80/713548180.db2.gz NMTRZMZFERQSSN-UWVAXJGDSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000195174524 713548181 /nfs/dbraw/zinc/54/81/81/713548181.db2.gz NMTRZMZFERQSSN-UWVAXJGDSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000195174524 713548184 /nfs/dbraw/zinc/54/81/84/713548184.db2.gz NMTRZMZFERQSSN-UWVAXJGDSA-N 2 1 353.551 3.296 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000248488958 713651780 /nfs/dbraw/zinc/65/17/80/713651780.db2.gz MSBHZKVDFVSIBI-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261793139 713714218 /nfs/dbraw/zinc/71/42/18/713714218.db2.gz ZCGTWKBIJUWDSA-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261793139 713714219 /nfs/dbraw/zinc/71/42/19/713714219.db2.gz ZCGTWKBIJUWDSA-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000301193092 713781759 /nfs/dbraw/zinc/78/17/59/713781759.db2.gz SNXIUBKCEHKKCM-OOKSDGMUSA-N 2 1 351.535 3.237 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462083 713982162 /nfs/dbraw/zinc/98/21/62/713982162.db2.gz BAXBERLKXYAXQN-KURKYZTESA-N 2 1 353.551 3.484 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H](C)[N@H+]1CCO ZINC000450788304 714047679 /nfs/dbraw/zinc/04/76/79/714047679.db2.gz DCYYFWBOAOZIJU-BETUJISGSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)C[C@H](C)[N@@H+]1CCO ZINC000450788304 714047683 /nfs/dbraw/zinc/04/76/83/714047683.db2.gz DCYYFWBOAOZIJU-BETUJISGSA-N 2 1 353.388 3.145 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC1 ZINC000521895085 714154749 /nfs/dbraw/zinc/15/47/49/714154749.db2.gz ALYVOLMWGOJLCK-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000524424077 714282573 /nfs/dbraw/zinc/28/25/73/714282573.db2.gz BMTLYUKRAANXQX-UHFFFAOYSA-N 2 1 351.922 3.151 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccc(Cl)cc1 ZINC000524424077 714282575 /nfs/dbraw/zinc/28/25/75/714282575.db2.gz BMTLYUKRAANXQX-UHFFFAOYSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534057165 714428404 /nfs/dbraw/zinc/42/84/04/714428404.db2.gz WMLJGGFNJZRYTO-QGTPRVQTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534057165 714428406 /nfs/dbraw/zinc/42/84/06/714428406.db2.gz WMLJGGFNJZRYTO-QGTPRVQTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000579729934 714496377 /nfs/dbraw/zinc/49/63/77/714496377.db2.gz ZJNSVQUABZJKNX-INIZCTEOSA-N 2 1 360.420 3.077 20 0 FGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(OC(F)(F)F)cc2)CC1 ZINC000579729934 714496379 /nfs/dbraw/zinc/49/63/79/714496379.db2.gz ZJNSVQUABZJKNX-INIZCTEOSA-N 2 1 360.420 3.077 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)sc1Cl ZINC000617503997 714662709 /nfs/dbraw/zinc/66/27/09/714662709.db2.gz DSAYFSFLGPPWPP-JTQLQIEISA-N 2 1 352.331 3.057 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)sc1Cl ZINC000617503997 714662710 /nfs/dbraw/zinc/66/27/10/714662710.db2.gz DSAYFSFLGPPWPP-JTQLQIEISA-N 2 1 352.331 3.057 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000617504033 714662957 /nfs/dbraw/zinc/66/29/57/714662957.db2.gz FXGMLCXMDKQQJA-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(Cl)ccc2o1 ZINC000617504033 714662959 /nfs/dbraw/zinc/66/29/59/714662959.db2.gz FXGMLCXMDKQQJA-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP CCCc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000621715600 715020466 /nfs/dbraw/zinc/02/04/66/715020466.db2.gz ZWLPUVCHGCFBPX-UHFFFAOYSA-N 2 1 363.571 3.077 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH+]ccc1N ZINC000643455595 718035072 /nfs/dbraw/zinc/03/50/72/718035072.db2.gz ZNLXHFARBSSTOS-JSGCOSHPSA-N 2 1 350.388 3.442 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626040508 715835312 /nfs/dbraw/zinc/83/53/12/715835312.db2.gz GUGQGHXPDPYYLK-SIIHOXLZSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626040508 715835336 /nfs/dbraw/zinc/83/53/36/715835336.db2.gz GUGQGHXPDPYYLK-SIIHOXLZSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000626040508 715835341 /nfs/dbraw/zinc/83/53/41/715835341.db2.gz GUGQGHXPDPYYLK-SIIHOXLZSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000626040508 715835346 /nfs/dbraw/zinc/83/53/46/715835346.db2.gz GUGQGHXPDPYYLK-SIIHOXLZSA-N 2 1 367.331 3.082 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629565851 716309895 /nfs/dbraw/zinc/30/98/95/716309895.db2.gz XSGHWQNUEAIHAH-RISCZKNCSA-N 2 1 363.811 3.128 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629656212 716330284 /nfs/dbraw/zinc/33/02/84/716330284.db2.gz NBCQEIGMHBMZKA-GOEBONIOSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629656212 716330287 /nfs/dbraw/zinc/33/02/87/716330287.db2.gz NBCQEIGMHBMZKA-GOEBONIOSA-N 2 1 352.404 3.344 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953184 717134957 /nfs/dbraw/zinc/13/49/57/717134957.db2.gz UINWAJFXKVKGKQ-XLIONFOSSA-N 2 1 364.555 3.118 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280628 717256368 /nfs/dbraw/zinc/25/63/68/717256368.db2.gz DYSVIAKEXSFTEA-LRDDRELGSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280632 717256474 /nfs/dbraw/zinc/25/64/74/717256474.db2.gz DYSVIAKEXSFTEA-WBMJQRKESA-N 2 1 358.313 3.054 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638293865 717431471 /nfs/dbraw/zinc/43/14/71/717431471.db2.gz MDQIYJAEPAJRML-JLSDUUJJSA-N 2 1 365.880 3.167 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638293865 717431473 /nfs/dbraw/zinc/43/14/73/717431473.db2.gz MDQIYJAEPAJRML-JLSDUUJJSA-N 2 1 365.880 3.167 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000638838514 717493046 /nfs/dbraw/zinc/49/30/46/717493046.db2.gz KRXLEQKPAKETSM-QGZVFWFLSA-N 2 1 352.906 3.379 20 0 FGADMP COc1nsc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1Br ZINC000638850193 717494259 /nfs/dbraw/zinc/49/42/59/717494259.db2.gz CEVHBSNDHDOWAJ-UHFFFAOYSA-N 2 1 370.316 3.266 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccccc3C(F)(F)F)C2)CC1 ZINC000639759526 717599105 /nfs/dbraw/zinc/59/91/05/717599105.db2.gz ACWGPVDIJKCXSP-UHFFFAOYSA-N 2 1 355.404 3.062 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000644525387 718119476 /nfs/dbraw/zinc/11/94/76/718119476.db2.gz CPQFTRPPWDRXAQ-TZMCWYRMSA-N 2 1 372.296 3.164 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644549860 718122482 /nfs/dbraw/zinc/12/24/82/718122482.db2.gz BHFHUZQXEJCQTD-BGTYHANMSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644549860 718122484 /nfs/dbraw/zinc/12/24/84/718122484.db2.gz BHFHUZQXEJCQTD-BGTYHANMSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@H]1CC2(C[NH+]1CCC[N@@H+]1CC3(C[C@@H]1C)CCOCC3)CCOCC2 ZINC000646096780 718262876 /nfs/dbraw/zinc/26/28/76/718262876.db2.gz UNXQMCGSYTUHPR-OALUTQOASA-N 2 1 350.547 3.159 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000647330501 718350116 /nfs/dbraw/zinc/35/01/16/718350116.db2.gz KDKMPFNBXOKCSP-KRWDZBQOSA-N 2 1 360.420 3.473 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC12CCOCC2 ZINC000647545449 718366839 /nfs/dbraw/zinc/36/68/39/718366839.db2.gz LTCRSCQZBVCAPJ-KRWDZBQOSA-N 2 1 364.917 3.316 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC12CCOCC2 ZINC000647545449 718366842 /nfs/dbraw/zinc/36/68/42/718366842.db2.gz LTCRSCQZBVCAPJ-KRWDZBQOSA-N 2 1 364.917 3.316 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904234 718385536 /nfs/dbraw/zinc/38/55/36/718385536.db2.gz ZNLCQCCFVNAKDZ-RDJZCZTQSA-N 2 1 360.889 3.397 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648161493 718402254 /nfs/dbraw/zinc/40/22/54/718402254.db2.gz CPAKHHZFZBHXEY-DYVFJYSZSA-N 2 1 355.885 3.106 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288209 718501236 /nfs/dbraw/zinc/50/12/36/718501236.db2.gz CZHSPBRXZWOHIW-RHSMWYFYSA-N 2 1 351.441 3.102 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000649343596 718505374 /nfs/dbraw/zinc/50/53/74/718505374.db2.gz JABQLMZYZZYFKA-NIKGAXFTSA-N 2 1 357.885 3.119 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000649343596 718505379 /nfs/dbraw/zinc/50/53/79/718505379.db2.gz JABQLMZYZZYFKA-NIKGAXFTSA-N 2 1 357.885 3.119 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccccc3Cl)CCC2)CC1 ZINC000649643642 718542794 /nfs/dbraw/zinc/54/27/94/718542794.db2.gz VTBHMEGDOJXHSV-UHFFFAOYSA-N 2 1 363.933 3.298 20 0 FGADMP C[N@H+]1CCC[C@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417878 718675580 /nfs/dbraw/zinc/67/55/80/718675580.db2.gz GBRIBWUUWJEVHF-KRWDZBQOSA-N 2 1 362.543 3.090 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705609 718716830 /nfs/dbraw/zinc/71/68/30/718716830.db2.gz NSDQFDOPHYXUJQ-OIISXLGYSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706204 718717173 /nfs/dbraw/zinc/71/71/73/718717173.db2.gz GIQFWVDDIIZFOO-MJBXVCDLSA-N 2 1 359.333 3.229 20 0 FGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707343 718717246 /nfs/dbraw/zinc/71/72/46/718717246.db2.gz DATKHWKSXLSXLB-JQHSSLGASA-N 2 1 367.331 3.476 20 0 FGADMP C[C@H]1CCC[N@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H]1CC[NH3+] ZINC000650712082 718718701 /nfs/dbraw/zinc/71/87/01/718718701.db2.gz PXFFDJPBAZMNCD-BBRMVZONSA-N 2 1 359.495 3.488 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2csc(-c3ccc4c(c3)OCO4)n2)[C@H]1CC[NH3+] ZINC000650712082 718718703 /nfs/dbraw/zinc/71/87/03/718718703.db2.gz PXFFDJPBAZMNCD-BBRMVZONSA-N 2 1 359.495 3.488 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccccc2Br)C1 ZINC000650722432 718720088 /nfs/dbraw/zinc/72/00/88/718720088.db2.gz SQASEWZQIYVYGL-HYVNUMGLSA-N 2 1 353.304 3.310 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccccc2Br)C1 ZINC000650722431 718720185 /nfs/dbraw/zinc/72/01/85/718720185.db2.gz SQASEWZQIYVYGL-DJIMGWMZSA-N 2 1 353.304 3.310 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)s2)C1 ZINC000650723166 718720564 /nfs/dbraw/zinc/72/05/64/718720564.db2.gz IETRBIBSCDKGNS-OLMNPRSZSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722945 718720725 /nfs/dbraw/zinc/72/07/25/718720725.db2.gz DZOXIBYHZFNIKC-XYPHTWIQSA-N 2 1 369.303 3.016 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000650722650 718720830 /nfs/dbraw/zinc/72/08/30/718720830.db2.gz YRIUKKHANQJHOE-MCIONIFRSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000650722650 718720832 /nfs/dbraw/zinc/72/08/32/718720832.db2.gz YRIUKKHANQJHOE-MCIONIFRSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723790 718721228 /nfs/dbraw/zinc/72/12/28/718721228.db2.gz UDLFVGMWTCTLRW-BPQIPLTHSA-N 2 1 354.441 3.191 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)s2)cn1 ZINC000650725335 718721782 /nfs/dbraw/zinc/72/17/82/718721782.db2.gz YPLXBKBLMPJAPE-JQHSSLGASA-N 2 1 360.527 3.009 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@@H]1CC[NH3+] ZINC000652354561 718936454 /nfs/dbraw/zinc/93/64/54/718936454.db2.gz BWFBYYMCPKPJGG-CZUORRHYSA-N 2 1 368.319 3.227 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110020 719013616 /nfs/dbraw/zinc/01/36/16/719013616.db2.gz VCVXMOSBRXSJMC-IPMKNSEASA-N 2 1 361.917 3.124 20 0 FGADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606439 719064249 /nfs/dbraw/zinc/06/42/49/719064249.db2.gz KLERSVVPBYDLDS-RBUKOAKNSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606439 719064253 /nfs/dbraw/zinc/06/42/53/719064253.db2.gz KLERSVVPBYDLDS-RBUKOAKNSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606440 719064784 /nfs/dbraw/zinc/06/47/84/719064784.db2.gz KLERSVVPBYDLDS-RTBURBONSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606440 719064788 /nfs/dbraw/zinc/06/47/88/719064788.db2.gz KLERSVVPBYDLDS-RTBURBONSA-N 2 1 354.922 3.100 20 0 FGADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655689908 719325862 /nfs/dbraw/zinc/32/58/62/719325862.db2.gz GIANRIBZNPRUEK-FXAWDEMLSA-N 2 1 365.949 3.176 20 0 FGADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719737 719329451 /nfs/dbraw/zinc/32/94/51/719329451.db2.gz LHBZOWIVUNNUMZ-MOPGFXCFSA-N 2 1 352.906 3.261 20 0 FGADMP Cn1ncc(C(F)(F)F)c1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000657301027 719621891 /nfs/dbraw/zinc/62/18/91/719621891.db2.gz YJVIHEZGDUTPBF-UHFFFAOYSA-N 2 1 352.404 3.325 20 0 FGADMP Cn1nc(C(F)(F)F)cc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000657300843 719622072 /nfs/dbraw/zinc/62/20/72/719622072.db2.gz VGWCVQDWEHWPMQ-UHFFFAOYSA-N 2 1 352.404 3.325 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3cccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164679510 719634400 /nfs/dbraw/zinc/63/44/00/719634400.db2.gz DOERJRYEJWATFK-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3cccc(F)c3n2)c2c1CC[NH2+]C2 ZINC001164679510 719634402 /nfs/dbraw/zinc/63/44/02/719634402.db2.gz DOERJRYEJWATFK-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000657847994 719720675 /nfs/dbraw/zinc/72/06/75/719720675.db2.gz ZEZKXQSOMSYXKC-DLBZAZTESA-N 2 1 373.310 3.332 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCN2C[C@@H](C)O[C@H](C)C2)CC1)CC(C)C ZINC000660170104 720001243 /nfs/dbraw/zinc/00/12/43/720001243.db2.gz DMCLTGJBPVSEOY-WOJBJXKFSA-N 2 1 353.595 3.176 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338952 720032957 /nfs/dbraw/zinc/03/29/57/720032957.db2.gz NSTJUPUPRLRRHR-SJORKVTESA-N 2 1 366.575 3.303 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661135058 720194970 /nfs/dbraw/zinc/19/49/70/720194970.db2.gz AAMRWCKXOOVSEP-UHFFFAOYSA-N 2 1 351.560 3.338 20 0 FGADMP C[C@]1(C2CC2)C[NH+](CCCCC[N@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166443 720200979 /nfs/dbraw/zinc/20/09/79/720200979.db2.gz AUJLBGFDGYXUMQ-NHCUHLMSSA-N 2 1 350.547 3.159 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505142 720266812 /nfs/dbraw/zinc/26/68/12/720266812.db2.gz KFXWSLJLWXMHQK-IRXDYDNUSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505139 720267028 /nfs/dbraw/zinc/26/70/28/720267028.db2.gz KFXWSLJLWXMHQK-DLBZAZTESA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CNC(=O)C1 ZINC000661576215 720278716 /nfs/dbraw/zinc/27/87/16/720278716.db2.gz QOMJAERAANMPHZ-KRWDZBQOSA-N 2 1 351.922 3.010 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252791 720405521 /nfs/dbraw/zinc/40/55/21/720405521.db2.gz OXAOOBKRKAATGA-HOTGVXAUSA-N 2 1 351.288 3.107 20 0 FGADMP Brc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258519 720405880 /nfs/dbraw/zinc/40/58/80/720405880.db2.gz JFULEXXAETWTPD-XJKSGUPXSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282540 720409306 /nfs/dbraw/zinc/40/93/06/720409306.db2.gz BRTMECBXWNXUPK-HLLBOEOZSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282540 720409309 /nfs/dbraw/zinc/40/93/09/720409309.db2.gz BRTMECBXWNXUPK-HLLBOEOZSA-N 2 1 358.404 3.288 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662293055 720411066 /nfs/dbraw/zinc/41/10/66/720411066.db2.gz JCKCQFOECCMWDJ-OAHLLOKOSA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)[nH]c(=O)c2c1C ZINC000662293055 720411069 /nfs/dbraw/zinc/41/10/69/720411069.db2.gz JCKCQFOECCMWDJ-OAHLLOKOSA-N 2 1 360.527 3.225 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000662293492 720411085 /nfs/dbraw/zinc/41/10/85/720411085.db2.gz LQBPWHNURBUCBA-OAHLLOKOSA-N 2 1 351.441 3.005 20 0 FGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295849 720411379 /nfs/dbraw/zinc/41/13/79/720411379.db2.gz IAPWZMFXTZAIMO-INIZCTEOSA-N 2 1 360.527 3.442 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297890 720412023 /nfs/dbraw/zinc/41/20/23/720412023.db2.gz SSOYQDALPAZTEF-NVXWUHKLSA-N 2 1 363.933 3.229 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000662298309 720412113 /nfs/dbraw/zinc/41/21/13/720412113.db2.gz VLHHHVMNNRFDBX-CQSZACIVSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2ccc(Cl)cc21 ZINC000662298309 720412114 /nfs/dbraw/zinc/41/21/14/720412114.db2.gz VLHHHVMNNRFDBX-CQSZACIVSA-N 2 1 360.889 3.200 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662299069 720412121 /nfs/dbraw/zinc/41/21/21/720412121.db2.gz ZKKSTISWXRLTQL-DOTOQJQBSA-N 2 1 361.555 3.447 20 0 FGADMP C[NH2+][C@@H](C(=O)NCCC[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000662357435 720418638 /nfs/dbraw/zinc/41/86/38/720418638.db2.gz ZKCLEUUAHNSSBU-MRXNPFEDSA-N 2 1 358.313 3.246 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662397031 720424992 /nfs/dbraw/zinc/42/49/92/720424992.db2.gz SSHZXLRGEUUGOE-DYVFJYSZSA-N 2 1 370.324 3.341 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484053 720433632 /nfs/dbraw/zinc/43/36/32/720433632.db2.gz FKDLRIHYMIFZII-SUMWQHHRSA-N 2 1 372.340 3.444 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484053 720433634 /nfs/dbraw/zinc/43/36/34/720433634.db2.gz FKDLRIHYMIFZII-SUMWQHHRSA-N 2 1 372.340 3.444 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662683600 720452434 /nfs/dbraw/zinc/45/24/34/720452434.db2.gz QLAHMGSSIXFCTL-INIZCTEOSA-N 2 1 360.329 3.492 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455773 720517047 /nfs/dbraw/zinc/51/70/47/720517047.db2.gz UDYNDHVZHNTBRJ-RHSMWYFYSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455773 720517049 /nfs/dbraw/zinc/51/70/49/720517049.db2.gz UDYNDHVZHNTBRJ-RHSMWYFYSA-N 2 1 366.937 3.115 20 0 FGADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838054 720539951 /nfs/dbraw/zinc/53/99/51/720539951.db2.gz NTCSGWNWXPVVFI-CMKODMSKSA-N 2 1 369.513 3.055 20 0 FGADMP Cc1cc(C(F)(F)F)cc(NCc2ccnc(OCC[NH+](C)C)c2)[nH+]1 ZINC000663756805 720547859 /nfs/dbraw/zinc/54/78/59/720547859.db2.gz ZJMVOWVUWRENSG-UHFFFAOYSA-N 2 1 354.376 3.356 20 0 FGADMP COc1c[nH+]ccc1N1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000663865196 720564077 /nfs/dbraw/zinc/56/40/77/720564077.db2.gz DEIWOEXJKBYAOB-UHFFFAOYSA-N 2 1 352.360 3.139 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001164836835 720618001 /nfs/dbraw/zinc/61/80/01/720618001.db2.gz HBADMMOODWPPQS-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001164836835 720618007 /nfs/dbraw/zinc/61/80/07/720618007.db2.gz HBADMMOODWPPQS-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000664292625 720619239 /nfs/dbraw/zinc/61/92/39/720619239.db2.gz OVAHKJNLKJZWGZ-QZTJIDSGSA-N 2 1 366.937 3.068 20 0 FGADMP CSc1c(F)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000666665326 720959561 /nfs/dbraw/zinc/95/95/61/720959561.db2.gz ABGCOYPMKINAJJ-LBPRGKRZSA-N 2 1 374.501 3.080 20 0 FGADMP CSc1c(F)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000666665326 720959565 /nfs/dbraw/zinc/95/95/65/720959565.db2.gz ABGCOYPMKINAJJ-LBPRGKRZSA-N 2 1 374.501 3.080 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000667727798 721164823 /nfs/dbraw/zinc/16/48/23/721164823.db2.gz JVKJDMVICURSEZ-QAPCUYQASA-N 2 1 358.511 3.411 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668785431 721356410 /nfs/dbraw/zinc/35/64/10/721356410.db2.gz QBVFVBWCKRKUIG-GOSISDBHSA-N 2 1 362.905 3.273 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668785431 721356415 /nfs/dbraw/zinc/35/64/15/721356415.db2.gz QBVFVBWCKRKUIG-GOSISDBHSA-N 2 1 362.905 3.273 20 0 FGADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@H+]3C2)c1 ZINC001164899044 721513203 /nfs/dbraw/zinc/51/32/03/721513203.db2.gz JSMWLMWNXJMAQT-DOTOQJQBSA-N 2 1 352.413 3.044 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000671724757 721611461 /nfs/dbraw/zinc/61/14/61/721611461.db2.gz NXPZTPYCMUNQFK-IZGVIRRGSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000671724757 721611462 /nfs/dbraw/zinc/61/14/62/721611462.db2.gz NXPZTPYCMUNQFK-IZGVIRRGSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000671724757 721611463 /nfs/dbraw/zinc/61/14/63/721611463.db2.gz NXPZTPYCMUNQFK-IZGVIRRGSA-N 2 1 373.324 3.290 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Br ZINC000673629937 721668485 /nfs/dbraw/zinc/66/84/85/721668485.db2.gz XZQQRZMWFBVYJA-KRWDZBQOSA-N 2 1 367.331 3.491 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1N ZINC001165022132 721822086 /nfs/dbraw/zinc/82/20/86/721822086.db2.gz GKOUHFOQEHMVJC-ILZDJORESA-N 2 1 351.498 3.104 20 0 FGADMP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000677242019 721876289 /nfs/dbraw/zinc/87/62/89/721876289.db2.gz WFGBJSPQODZEJD-JYJNAYRXSA-N 2 1 351.441 3.083 20 0 FGADMP COc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c(Cl)c1 ZINC000677737596 721913443 /nfs/dbraw/zinc/91/34/43/721913443.db2.gz HLCXQXTWKLLSKX-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000678080104 721937735 /nfs/dbraw/zinc/93/77/35/721937735.db2.gz NYAKCGQXDGJZAA-AWEZNQCLSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000678080104 721937738 /nfs/dbraw/zinc/93/77/38/721937738.db2.gz NYAKCGQXDGJZAA-AWEZNQCLSA-N 2 1 372.296 3.260 20 0 FGADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC[C@@H]3CC[NH+]3CCCC3)c2)CC1 ZINC001165049189 721978050 /nfs/dbraw/zinc/97/80/50/721978050.db2.gz IDEDYKGZDMWRNE-LJQANCHMSA-N 3 1 372.557 3.399 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3c(s2)CCC3)CC1 ZINC000678837086 721984016 /nfs/dbraw/zinc/98/40/16/721984016.db2.gz OKSATRJQCULHSD-UHFFFAOYSA-N 2 1 351.560 3.202 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C12CCCCC2 ZINC000678928747 721990690 /nfs/dbraw/zinc/99/06/90/721990690.db2.gz UJYIAUHBAIBZCJ-HSALFYBXSA-N 2 1 350.547 3.347 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C12CCCCC2 ZINC000678928748 721990808 /nfs/dbraw/zinc/99/08/08/721990808.db2.gz UJYIAUHBAIBZCJ-SLFFLAALSA-N 2 1 350.547 3.347 20 0 FGADMP Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(Cl)c1C ZINC000679984448 722058722 /nfs/dbraw/zinc/05/87/22/722058722.db2.gz LEFGPLJUZDKUSK-KRWDZBQOSA-N 2 1 363.933 3.197 20 0 FGADMP Cc1ccc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(Cl)c1C ZINC000679984448 722058725 /nfs/dbraw/zinc/05/87/25/722058725.db2.gz LEFGPLJUZDKUSK-KRWDZBQOSA-N 2 1 363.933 3.197 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000708529232 722412773 /nfs/dbraw/zinc/41/27/73/722412773.db2.gz JPFFHGDJQJFVLQ-LAVFITLUSA-N 2 1 356.432 3.454 20 0 FGADMP CC[C@@H](C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000727466047 722444785 /nfs/dbraw/zinc/44/47/85/722444785.db2.gz RBGFXTADHHCHBQ-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP CC(C)c1ccc(NC(=S)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000732720985 722487762 /nfs/dbraw/zinc/48/77/62/722487762.db2.gz OVXVLEQYQOYFID-GOSISDBHSA-N 2 1 360.571 3.265 20 0 FGADMP CC(C)c1ccc(NC(=S)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000732720985 722487763 /nfs/dbraw/zinc/48/77/63/722487763.db2.gz OVXVLEQYQOYFID-GOSISDBHSA-N 2 1 360.571 3.265 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000747957646 722669475 /nfs/dbraw/zinc/66/94/75/722669475.db2.gz VGWPHJBLHZCTKO-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)c(F)c1 ZINC000751012734 722790689 /nfs/dbraw/zinc/79/06/89/722790689.db2.gz YFFAETKRBNECGS-KRWDZBQOSA-N 2 1 366.550 3.179 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000762249206 723228703 /nfs/dbraw/zinc/22/87/03/723228703.db2.gz AVUGDWFVQRFZBM-QUCCMNQESA-N 2 1 363.933 3.468 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000762249206 723228705 /nfs/dbraw/zinc/22/87/05/723228705.db2.gz AVUGDWFVQRFZBM-QUCCMNQESA-N 2 1 363.933 3.468 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H](O)c2cccs2)[C@@H](C)C1 ZINC000763412003 723341411 /nfs/dbraw/zinc/34/14/11/723341411.db2.gz CMZMTCQOMDMVAM-XWTMOSNGSA-N 2 1 354.560 3.287 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000796275816 723629613 /nfs/dbraw/zinc/62/96/13/723629613.db2.gz FDCXPCDCMSKUEX-CQSZACIVSA-N 2 1 364.946 3.474 20 0 FGADMP ClC1(Cl)C[C@@H]1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381652 723635475 /nfs/dbraw/zinc/63/54/75/723635475.db2.gz FPTTUGPJCDLMNU-QZTJIDSGSA-N 2 1 368.352 3.072 20 0 FGADMP ClC1(Cl)C[C@@H]1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381652 723635476 /nfs/dbraw/zinc/63/54/76/723635476.db2.gz FPTTUGPJCDLMNU-QZTJIDSGSA-N 2 1 368.352 3.072 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)c(F)c1 ZINC000768513416 723659953 /nfs/dbraw/zinc/65/99/53/723659953.db2.gz ZKEOJGXNAWJJKF-YUTCNCBUSA-N 2 1 357.267 3.102 20 0 FGADMP Cc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1I ZINC000798933979 723976994 /nfs/dbraw/zinc/97/69/94/723976994.db2.gz ACULADDKWJGESS-GOOCMWNKSA-N 2 1 370.278 3.314 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000800970090 724256021 /nfs/dbraw/zinc/25/60/21/724256021.db2.gz XFWHAAODNICJHE-JLSDUUJJSA-N 2 1 356.432 3.479 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000800970090 724256022 /nfs/dbraw/zinc/25/60/22/724256022.db2.gz XFWHAAODNICJHE-JLSDUUJJSA-N 2 1 356.432 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000801584705 724317048 /nfs/dbraw/zinc/31/70/48/724317048.db2.gz GLYCTDIYNFFXRG-INIZCTEOSA-N 2 1 350.507 3.207 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(Br)nn1C ZINC000785418429 724911441 /nfs/dbraw/zinc/91/14/41/724911441.db2.gz VVTFGIYMQIDDPY-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@H](C)C1 ZINC000788612723 725076055 /nfs/dbraw/zinc/07/60/55/725076055.db2.gz VAGNPQORLDTMEK-HYVNUMGLSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)nc32)[C@H](C)C1 ZINC000788612723 725076056 /nfs/dbraw/zinc/07/60/56/725076056.db2.gz VAGNPQORLDTMEK-HYVNUMGLSA-N 2 1 351.922 3.449 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731488 725084346 /nfs/dbraw/zinc/08/43/46/725084346.db2.gz BTSDJZRSQHUDJQ-MSOLQXFVSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731488 725084348 /nfs/dbraw/zinc/08/43/48/725084348.db2.gz BTSDJZRSQHUDJQ-MSOLQXFVSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157437 725118701 /nfs/dbraw/zinc/11/87/01/725118701.db2.gz FVOGJLGYFPLEBK-SJLPKXTDSA-N 2 1 357.885 3.079 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2c(Cl)nc3cc(Cl)ccn32)CC1 ZINC000809573543 725248756 /nfs/dbraw/zinc/24/87/56/725248756.db2.gz PVJRVGLNPSEYJJ-UHFFFAOYSA-N 2 1 371.312 3.184 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809574028 725248784 /nfs/dbraw/zinc/24/87/84/725248784.db2.gz DCHVVVGRKZDPKP-SFHVURJKSA-N 2 1 358.555 3.159 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809574028 725248785 /nfs/dbraw/zinc/24/87/85/725248785.db2.gz DCHVVVGRKZDPKP-SFHVURJKSA-N 2 1 358.555 3.159 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Cl ZINC000809757266 725265808 /nfs/dbraw/zinc/26/58/08/725265808.db2.gz XYJAGSMRUZHUIZ-GFCCVEGCSA-N 2 1 364.843 3.256 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Cl ZINC000809757266 725265809 /nfs/dbraw/zinc/26/58/09/725265809.db2.gz XYJAGSMRUZHUIZ-GFCCVEGCSA-N 2 1 364.843 3.256 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766933 725266562 /nfs/dbraw/zinc/26/65/62/725266562.db2.gz CIEIWYLYHJMCOH-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766933 725266564 /nfs/dbraw/zinc/26/65/64/725266564.db2.gz CIEIWYLYHJMCOH-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766933 725266565 /nfs/dbraw/zinc/26/65/65/725266565.db2.gz CIEIWYLYHJMCOH-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000810468190 725309475 /nfs/dbraw/zinc/30/94/75/725309475.db2.gz DKLPCLHTWJFYEZ-HXUWFJFHSA-N 2 1 353.526 3.112 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccnc(Cl)c1Cl ZINC000811507134 725370592 /nfs/dbraw/zinc/37/05/92/725370592.db2.gz RVQREPNKKCVYIG-HNNXBMFYSA-N 2 1 359.345 3.236 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337038 726862586 /nfs/dbraw/zinc/86/25/86/726862586.db2.gz VLUGLWBIPSEEPJ-ZJPYXAASSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337038 726862588 /nfs/dbraw/zinc/86/25/88/726862588.db2.gz VLUGLWBIPSEEPJ-ZJPYXAASSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337038 726862593 /nfs/dbraw/zinc/86/25/93/726862593.db2.gz VLUGLWBIPSEEPJ-ZJPYXAASSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCN1C(=O)OC(C)(C)C ZINC000813337038 726862597 /nfs/dbraw/zinc/86/25/97/726862597.db2.gz VLUGLWBIPSEEPJ-ZJPYXAASSA-N 2 1 353.551 3.437 20 0 FGADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000819136711 727351343 /nfs/dbraw/zinc/35/13/43/727351343.db2.gz MLQGNRFQIJQGSG-SFHVURJKSA-N 2 1 360.889 3.039 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000819277465 727363637 /nfs/dbraw/zinc/36/36/37/727363637.db2.gz CANWEJXWAYBZKT-OFLPRAFFSA-N 2 1 353.304 3.089 20 0 FGADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436855 729280635 /nfs/dbraw/zinc/28/06/35/729280635.db2.gz DNAJRMGMOLGQFK-FUHWJXTLSA-N 2 1 353.551 3.296 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000824439677 729338508 /nfs/dbraw/zinc/33/85/08/729338508.db2.gz PRPVXSFMTGZPIJ-XLIONFOSSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000824439677 729338510 /nfs/dbraw/zinc/33/85/10/729338510.db2.gz PRPVXSFMTGZPIJ-XLIONFOSSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000824439677 729338514 /nfs/dbraw/zinc/33/85/14/729338514.db2.gz PRPVXSFMTGZPIJ-XLIONFOSSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566634 729815090 /nfs/dbraw/zinc/81/50/90/729815090.db2.gz PTLVZAFTUVTONT-FGTMMUONSA-N 2 1 353.551 3.484 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842675667 730529396 /nfs/dbraw/zinc/52/93/96/730529396.db2.gz VXSTZOGWNAXCJY-JTQLQIEISA-N 2 1 357.683 3.428 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000843360433 730610531 /nfs/dbraw/zinc/61/05/31/730610531.db2.gz WICQDGZSMJVVIU-VHRNVKJDSA-N 2 1 355.404 3.378 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000843360433 730610536 /nfs/dbraw/zinc/61/05/36/730610536.db2.gz WICQDGZSMJVVIU-VHRNVKJDSA-N 2 1 355.404 3.378 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000843386832 730612557 /nfs/dbraw/zinc/61/25/57/730612557.db2.gz MHNJVDSDAHEXGK-CQSZACIVSA-N 2 1 369.481 3.261 20 0 FGADMP CC(C)C[N@@H+](C)CCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000845028287 730803863 /nfs/dbraw/zinc/80/38/63/730803863.db2.gz VEVMOCZYLDNARC-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000846132159 730931537 /nfs/dbraw/zinc/93/15/37/730931537.db2.gz VSMLVKMVKWBNOW-KRWDZBQOSA-N 2 1 362.905 3.087 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848529392 731175928 /nfs/dbraw/zinc/17/59/28/731175928.db2.gz MPLJFTIJYINKJW-IRXDYDNUSA-N 2 1 350.507 3.397 20 0 FGADMP C[C@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000849091048 731228096 /nfs/dbraw/zinc/22/80/96/731228096.db2.gz DTIFGYUBYMSLCT-ZIAGYGMSSA-N 2 1 356.436 3.440 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111727 731230437 /nfs/dbraw/zinc/23/04/37/731230437.db2.gz BZIXVLFPMLFUDK-ZBFHGGJFSA-N 2 1 354.420 3.318 20 0 FGADMP CCOC(=O)NC1CCC([NH2+]CC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000850427172 731355945 /nfs/dbraw/zinc/35/59/45/731355945.db2.gz OLNJSTIHZRYDBC-OQSMONGASA-N 2 1 353.551 3.390 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850433811 731357011 /nfs/dbraw/zinc/35/70/11/731357011.db2.gz QUXBFCWKHOFMIG-FGTMMUONSA-N 2 1 356.432 3.479 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850433811 731357015 /nfs/dbraw/zinc/35/70/15/731357015.db2.gz QUXBFCWKHOFMIG-FGTMMUONSA-N 2 1 356.432 3.479 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850492932 731363629 /nfs/dbraw/zinc/36/36/29/731363629.db2.gz UBZLHUJTKPFMAL-FNODVLLQSA-N 2 1 359.417 3.142 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000853487583 731711959 /nfs/dbraw/zinc/71/19/59/731711959.db2.gz RJCCKXYLYKKLRW-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP O=S(=O)(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000856730416 732048331 /nfs/dbraw/zinc/04/83/31/732048331.db2.gz BJBMHGWWEWNDBW-UHFFFAOYSA-N 2 1 370.603 3.322 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000858490780 732220303 /nfs/dbraw/zinc/22/03/03/732220303.db2.gz OHNQKNNUDKJFGT-SQNIBIBYSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436135 733201242 /nfs/dbraw/zinc/20/12/42/733201242.db2.gz UWKPLGWFYVZQEK-UONOGXRCSA-N 2 1 367.456 3.152 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cncc3Cl)cc2)C1 ZINC000865623355 733240216 /nfs/dbraw/zinc/24/02/16/733240216.db2.gz OCALZYKKCBIMFV-HNNXBMFYSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(Cl)cncc3Cl)cc2)C1 ZINC000865623355 733240221 /nfs/dbraw/zinc/24/02/21/733240221.db2.gz OCALZYKKCBIMFV-HNNXBMFYSA-N 2 1 366.292 3.245 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866453149 733351232 /nfs/dbraw/zinc/35/12/32/733351232.db2.gz IKQXBWJNLOSETD-XLAORIBOSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705217 733386881 /nfs/dbraw/zinc/38/68/81/733386881.db2.gz VRPDHKCIQIUESL-JXXFODFXSA-N 2 1 363.571 3.497 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705217 733386887 /nfs/dbraw/zinc/38/68/87/733386887.db2.gz VRPDHKCIQIUESL-JXXFODFXSA-N 2 1 363.571 3.497 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870910820 733901614 /nfs/dbraw/zinc/90/16/14/733901614.db2.gz NKLUAOLZXBFGHX-BASYENTBSA-N 2 1 367.896 3.106 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)c2cccs2)CC1 ZINC000872016957 735576777 /nfs/dbraw/zinc/57/67/77/735576777.db2.gz RGDGYCKHBXNSMS-ZWKOTPCHSA-N 2 1 363.571 3.118 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873227563 735740322 /nfs/dbraw/zinc/74/03/22/735740322.db2.gz JEYHGUZKKQUTFT-RISCZKNCSA-N 2 1 358.795 3.299 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873227563 735740325 /nfs/dbraw/zinc/74/03/25/735740325.db2.gz JEYHGUZKKQUTFT-RISCZKNCSA-N 2 1 358.795 3.299 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1nc(Br)cs1 ZINC000873235881 735741704 /nfs/dbraw/zinc/74/17/04/735741704.db2.gz RVLAJJVMSYVBRE-SNVBAGLBSA-N 2 1 352.301 3.402 20 0 FGADMP Brc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000873262215 735744394 /nfs/dbraw/zinc/74/43/94/735744394.db2.gz KLJKYFDXGFSWCR-FUHWJXTLSA-N 2 1 374.282 3.190 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(Cl)cs3)CC2)oc1C ZINC000877009091 736174347 /nfs/dbraw/zinc/17/43/47/736174347.db2.gz SKFOMYDCGMGBQK-UHFFFAOYSA-N 2 1 354.907 3.403 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546546 736682242 /nfs/dbraw/zinc/68/22/42/736682242.db2.gz UAURXIULXZZHDJ-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546546 736682245 /nfs/dbraw/zinc/68/22/45/736682245.db2.gz UAURXIULXZZHDJ-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546546 736682248 /nfs/dbraw/zinc/68/22/48/736682248.db2.gz UAURXIULXZZHDJ-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP Clc1ccc2sc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2n1 ZINC000877635690 736697196 /nfs/dbraw/zinc/69/71/96/736697196.db2.gz BQGQHNPNPQZUNH-ZDUSSCGKSA-N 2 1 351.903 3.293 20 0 FGADMP COc1nsc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1Br ZINC000877684246 736704345 /nfs/dbraw/zinc/70/43/45/736704345.db2.gz RHIITIIYUXCACW-UHFFFAOYSA-N 2 1 374.348 3.222 20 0 FGADMP COCC[N@H+](Cc1sc(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879125431 736958587 /nfs/dbraw/zinc/95/85/87/736958587.db2.gz CCRUZMGOWUJPHN-UHFFFAOYSA-N 2 1 365.465 3.261 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCc2ccccc2Br)C1 ZINC000883435584 737566413 /nfs/dbraw/zinc/56/64/13/737566413.db2.gz WRRBBYRSPMFGCF-BPQIPLTHSA-N 2 1 367.331 3.352 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000892622824 740024083 /nfs/dbraw/zinc/02/40/83/740024083.db2.gz SCJXQRQDSOXYDO-ZDUSSCGKSA-N 2 1 368.319 3.229 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050852 742232049 /nfs/dbraw/zinc/23/20/49/742232049.db2.gz VAMTVIBATGAGTH-KKUMJFAQSA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050852 742232050 /nfs/dbraw/zinc/23/20/50/742232050.db2.gz VAMTVIBATGAGTH-KKUMJFAQSA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000894050852 742232052 /nfs/dbraw/zinc/23/20/52/742232052.db2.gz VAMTVIBATGAGTH-KKUMJFAQSA-N 2 1 363.493 3.197 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C[C@@H]1C(F)(F)F ZINC000894454901 742285861 /nfs/dbraw/zinc/28/58/61/742285861.db2.gz BRVMVSOVWWYBPD-QXSJWSMHSA-N 2 1 364.452 3.217 20 0 FGADMP Cc1csc(C[C@H]2CCC[N@@H+](Cc3ccnn3-c3ccncc3)C2)n1 ZINC000895822015 742457635 /nfs/dbraw/zinc/45/76/35/742457635.db2.gz MEUMARKLFBYAOA-MRXNPFEDSA-N 2 1 353.495 3.487 20 0 FGADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@]12CC[N@@H+](C1)CCC2 ZINC000898280313 742768078 /nfs/dbraw/zinc/76/80/78/742768078.db2.gz ZDJDXTNHNJSRNL-FQEVSTJZSA-N 2 1 359.539 3.299 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Br)c1 ZINC000903168555 743815709 /nfs/dbraw/zinc/81/57/09/743815709.db2.gz XITCQQNKRMAVKM-ONQFOCNCSA-N 2 1 365.315 3.230 20 0 FGADMP c1csc(-c2ncc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)s2)c1 ZINC000903980158 743907842 /nfs/dbraw/zinc/90/78/42/743907842.db2.gz KOHIVCAOADHUNC-IYBDPMFKSA-N 2 1 374.579 3.272 20 0 FGADMP c1csc(-c2ncc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)s2)c1 ZINC000903980158 743907846 /nfs/dbraw/zinc/90/78/46/743907846.db2.gz KOHIVCAOADHUNC-IYBDPMFKSA-N 2 1 374.579 3.272 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000904405975 743952787 /nfs/dbraw/zinc/95/27/87/743952787.db2.gz NASVKOWSBGFRKC-CQSZACIVSA-N 2 1 363.303 3.114 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc(Br)c1OC ZINC000904411270 743953061 /nfs/dbraw/zinc/95/30/61/743953061.db2.gz TUKDIYFRDKCFKZ-LBPRGKRZSA-N 2 1 357.292 3.027 20 0 FGADMP [NH3+]C1CC([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000906509915 744138241 /nfs/dbraw/zinc/13/82/41/744138241.db2.gz BVBHBLXRPZFIQC-UHFFFAOYSA-N 2 1 362.271 3.002 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391541 758911654 /nfs/dbraw/zinc/91/16/54/758911654.db2.gz WMVHFCCXJYGNJQ-MTNOOBJLSA-N 2 1 363.889 3.051 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391538 758911825 /nfs/dbraw/zinc/91/18/25/758911825.db2.gz WIYVYWQAORYLRH-XYVMCAHJSA-N 2 1 372.340 3.145 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923499021 759132098 /nfs/dbraw/zinc/13/20/98/759132098.db2.gz QELHUEXAJCSHBJ-BBRMVZONSA-N 2 1 359.495 3.013 20 0 FGADMP Cn1ccc(-c2nc(C[NH+]3CCC([C@H]4CCC[NH2+]CC4)CC3)cs2)n1 ZINC000923508342 759135272 /nfs/dbraw/zinc/13/52/72/759135272.db2.gz USFCKOZYNVLVNE-HNNXBMFYSA-N 2 1 359.543 3.145 20 0 FGADMP CSc1nnc(CCC[NH2+][C@H](c2ccccc2)[C@@H](C)[NH3+])n1CC(C)C ZINC000925489383 759496791 /nfs/dbraw/zinc/49/67/91/759496791.db2.gz XUVJLSQYEXCDJE-QAPCUYQASA-N 2 1 361.559 3.267 20 0 FGADMP C[C@@H]([NH3+])[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000925656402 759518792 /nfs/dbraw/zinc/51/87/92/759518792.db2.gz ZYQDXHRWBNRWAM-CJNGLKHVSA-N 2 1 351.292 3.104 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000925776959 759534413 /nfs/dbraw/zinc/53/44/13/759534413.db2.gz BKXWVILMUYUJJC-ZYHUDNBSSA-N 2 1 363.246 3.353 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925786663 759539713 /nfs/dbraw/zinc/53/97/13/759539713.db2.gz XRSGIWGTNYGWBX-ZFWWWQNUSA-N 2 1 354.445 3.112 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925828236 759552645 /nfs/dbraw/zinc/55/26/45/759552645.db2.gz VNKPSRHGXZGVTN-VDHUWJSZSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925828236 759552652 /nfs/dbraw/zinc/55/26/52/759552652.db2.gz VNKPSRHGXZGVTN-VDHUWJSZSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000925828236 759552658 /nfs/dbraw/zinc/55/26/58/759552658.db2.gz VNKPSRHGXZGVTN-VDHUWJSZSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926782285 759820146 /nfs/dbraw/zinc/82/01/46/759820146.db2.gz XENITTYFEAFWKH-GFCCVEGCSA-N 2 1 351.292 3.095 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927039502 759880717 /nfs/dbraw/zinc/88/07/17/759880717.db2.gz UPRIPBYDIBUVFQ-NFYVFUGESA-N 3 1 351.579 3.120 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927039502 759880726 /nfs/dbraw/zinc/88/07/26/759880726.db2.gz UPRIPBYDIBUVFQ-NFYVFUGESA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927039503 759880858 /nfs/dbraw/zinc/88/08/58/759880858.db2.gz UPRIPBYDIBUVFQ-OSIBBQKWSA-N 3 1 351.579 3.120 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@H](C)C1 ZINC000927039503 759880870 /nfs/dbraw/zinc/88/08/70/759880870.db2.gz UPRIPBYDIBUVFQ-OSIBBQKWSA-N 2 1 351.579 3.120 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@H]2CCC[C@@H]21 ZINC000927161236 759910446 /nfs/dbraw/zinc/91/04/46/759910446.db2.gz GNFWXBZLUZAEHX-SPOLIRPYSA-N 2 1 350.547 3.202 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061139 760519775 /nfs/dbraw/zinc/51/97/75/760519775.db2.gz QQYVPNXDHKCMGH-IEWDOMPSSA-N 2 1 350.453 3.219 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061139 760519779 /nfs/dbraw/zinc/51/97/79/760519779.db2.gz QQYVPNXDHKCMGH-IEWDOMPSSA-N 2 1 350.453 3.219 20 0 FGADMP COC/C(C)=C\C[N@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000930445989 760612320 /nfs/dbraw/zinc/61/23/20/760612320.db2.gz KVNNOKNNOYZVTN-RZNTYIFUSA-N 2 1 368.275 3.334 20 0 FGADMP COC/C(C)=C\C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1 ZINC000930445989 760612327 /nfs/dbraw/zinc/61/23/27/760612327.db2.gz KVNNOKNNOYZVTN-RZNTYIFUSA-N 2 1 368.275 3.334 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602483 760653642 /nfs/dbraw/zinc/65/36/42/760653642.db2.gz UKUOEXRHLZHBMT-FUHIMQAGSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602483 760653645 /nfs/dbraw/zinc/65/36/45/760653645.db2.gz UKUOEXRHLZHBMT-FUHIMQAGSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602483 760653648 /nfs/dbraw/zinc/65/36/48/760653648.db2.gz UKUOEXRHLZHBMT-FUHIMQAGSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000960639413 762736525 /nfs/dbraw/zinc/73/65/25/762736525.db2.gz BOLTVOKBAHLMRC-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000960639413 762736536 /nfs/dbraw/zinc/73/65/36/762736536.db2.gz BOLTVOKBAHLMRC-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000960639413 762736544 /nfs/dbraw/zinc/73/65/44/762736544.db2.gz BOLTVOKBAHLMRC-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[NH+]2Cc2ccsc2)CC[N@H+]1C ZINC000968867360 762843135 /nfs/dbraw/zinc/84/31/35/762843135.db2.gz VLQYOHGDXDTERU-CEXWTWQISA-N 2 1 363.571 3.339 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccsc2)CC[NH+]1C ZINC000968867360 762843140 /nfs/dbraw/zinc/84/31/40/762843140.db2.gz VLQYOHGDXDTERU-CEXWTWQISA-N 2 1 363.571 3.339 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCCC[N@H+]2Cc2ccsc2)CC[NH+]1C ZINC000968867360 762843148 /nfs/dbraw/zinc/84/31/48/762843148.db2.gz VLQYOHGDXDTERU-CEXWTWQISA-N 2 1 363.571 3.339 20 0 FGADMP Cc1cc(C[NH+]2CCCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC000968864624 762843868 /nfs/dbraw/zinc/84/38/68/762843868.db2.gz ZCBVVEJBLBOJEZ-NZSAHSFTSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cc(C[N@H+]2CCCCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cs1 ZINC000968864624 762843874 /nfs/dbraw/zinc/84/38/74/762843874.db2.gz ZCBVVEJBLBOJEZ-NZSAHSFTSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cs1 ZINC000968864624 762843881 /nfs/dbraw/zinc/84/38/81/762843881.db2.gz ZCBVVEJBLBOJEZ-NZSAHSFTSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cc(C[NH+](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000985438010 763929275 /nfs/dbraw/zinc/92/92/75/763929275.db2.gz GXWJSUBPHKPHLQ-DNVCBOLYSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(C)s1 ZINC000985438010 763929280 /nfs/dbraw/zinc/92/92/80/763929280.db2.gz GXWJSUBPHKPHLQ-DNVCBOLYSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@H+](C)C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(C)s1 ZINC000985438010 763929284 /nfs/dbraw/zinc/92/92/84/763929284.db2.gz GXWJSUBPHKPHLQ-DNVCBOLYSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3C/C=C/Cl)CC2)CC[N@H+]1C ZINC001004453925 765432725 /nfs/dbraw/zinc/43/27/25/765432725.db2.gz XUKPNMZULFGHTI-PMFJAIBQSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3C/C=C/Cl)CC2)CC[NH+]1C ZINC001004453925 765432728 /nfs/dbraw/zinc/43/27/28/765432728.db2.gz XUKPNMZULFGHTI-PMFJAIBQSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3C/C=C/Cl)CC2)CC[NH+]1C ZINC001004453925 765432731 /nfs/dbraw/zinc/43/27/31/765432731.db2.gz XUKPNMZULFGHTI-PMFJAIBQSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001018873928 765847055 /nfs/dbraw/zinc/84/70/55/765847055.db2.gz ZUNXIJGKFDLWMG-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@H+]1C ZINC001020172052 765866196 /nfs/dbraw/zinc/86/61/96/765866196.db2.gz KIDMWZGRSABWBG-AAVRWANBSA-N 2 1 370.324 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001023377503 766036304 /nfs/dbraw/zinc/03/63/04/766036304.db2.gz ODVWYAGNEJGQEJ-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001023377503 766036310 /nfs/dbraw/zinc/03/63/10/766036310.db2.gz ODVWYAGNEJGQEJ-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001023377503 766036317 /nfs/dbraw/zinc/03/63/17/766036317.db2.gz ODVWYAGNEJGQEJ-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001028552165 766124996 /nfs/dbraw/zinc/12/49/96/766124996.db2.gz IEWGGKDPFRBTIN-VDZJLULYSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001028552165 766125001 /nfs/dbraw/zinc/12/50/01/766125001.db2.gz IEWGGKDPFRBTIN-VDZJLULYSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001028552165 766125004 /nfs/dbraw/zinc/12/50/04/766125004.db2.gz IEWGGKDPFRBTIN-VDZJLULYSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001034215025 766233047 /nfs/dbraw/zinc/23/30/47/766233047.db2.gz VDLAXELBGGDGAE-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001034215025 766233052 /nfs/dbraw/zinc/23/30/52/766233052.db2.gz VDLAXELBGGDGAE-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001034215025 766233057 /nfs/dbraw/zinc/23/30/57/766233057.db2.gz VDLAXELBGGDGAE-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001034215025 766233063 /nfs/dbraw/zinc/23/30/63/766233063.db2.gz VDLAXELBGGDGAE-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000359894274 210194757 /nfs/dbraw/zinc/19/47/57/210194757.db2.gz FWDOPMPJIZPLKO-BVAFDOMYSA-N 2 1 370.537 3.215 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000069102120 221321571 /nfs/dbraw/zinc/32/15/71/221321571.db2.gz JCGPISICZSPEQD-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CC[C@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302145618 257385485 /nfs/dbraw/zinc/38/54/85/257385485.db2.gz JBVYGVDKPPBAKX-SJKOYZFVSA-N 2 1 362.836 3.078 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000576688068 505570770 /nfs/dbraw/zinc/57/07/70/505570770.db2.gz QLGIZTWHXSSDRX-SFHVURJKSA-N 2 1 360.546 3.248 20 0 FGADMP Cc1nsc(C)c1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000579669323 505597983 /nfs/dbraw/zinc/59/79/83/505597983.db2.gz ZAWUKSYNSVSPTC-GASCZTMLSA-N 2 1 351.560 3.471 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC000568031143 505599746 /nfs/dbraw/zinc/59/97/46/505599746.db2.gz OSDPZBUWRWXKTC-LJQANCHMSA-N 2 1 360.546 3.115 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000568053149 505604299 /nfs/dbraw/zinc/60/42/99/505604299.db2.gz SRKJLQKGGFGIMI-SFHVURJKSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882969 505615968 /nfs/dbraw/zinc/61/59/68/505615968.db2.gz OSQUGVOWUYMOMD-WIYYLYMNSA-N 2 1 357.542 3.183 20 0 FGADMP C[N@H+]1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178093 505636009 /nfs/dbraw/zinc/63/60/09/505636009.db2.gz GWHZCYDNMILLJL-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178093 505636011 /nfs/dbraw/zinc/63/60/11/505636011.db2.gz GWHZCYDNMILLJL-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC12CCCCC2 ZINC000568178093 505636017 /nfs/dbraw/zinc/63/60/17/505636017.db2.gz GWHZCYDNMILLJL-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP [NH3+]CCC1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000571056739 505643364 /nfs/dbraw/zinc/64/33/64/505643364.db2.gz LZWICIIYZIHPJW-UHFFFAOYSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000571060784 505644171 /nfs/dbraw/zinc/64/41/71/505644171.db2.gz SQKLLSWWXBJPFL-HLIPFELVSA-N 2 1 358.530 3.001 20 0 FGADMP OCCCSCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000573987894 505667064 /nfs/dbraw/zinc/66/70/64/505667064.db2.gz JKAJDYUSQSXZFG-PCCBWWKXSA-N 2 1 362.583 3.382 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000577163541 505677552 /nfs/dbraw/zinc/67/75/52/505677552.db2.gz ICTCGPQWQUKDPZ-BBTUJRGHSA-N 2 1 372.557 3.472 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(C)c3)CC2)CC1 ZINC000075719672 493773337 /nfs/dbraw/zinc/77/33/37/493773337.db2.gz NUACTKVEYXKNAA-IBGZPJMESA-N 2 1 357.542 3.322 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000057618012 493779437 /nfs/dbraw/zinc/77/94/37/493779437.db2.gz LJBKRYLMLUPCKM-QUCCMNQESA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000057618012 493779440 /nfs/dbraw/zinc/77/94/40/493779440.db2.gz LJBKRYLMLUPCKM-QUCCMNQESA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000057618012 493779441 /nfs/dbraw/zinc/77/94/41/493779441.db2.gz LJBKRYLMLUPCKM-QUCCMNQESA-N 2 1 372.557 3.338 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000075842834 493784609 /nfs/dbraw/zinc/78/46/09/493784609.db2.gz ZZJWYGNUFIRTGX-OXQOHEQNSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2cccc(F)c2)CC1 ZINC000075842834 493784611 /nfs/dbraw/zinc/78/46/11/493784611.db2.gz ZZJWYGNUFIRTGX-OXQOHEQNSA-N 2 1 361.505 3.198 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068298994 493792307 /nfs/dbraw/zinc/79/23/07/493792307.db2.gz ZMCYYAMYWQZIKZ-HNNXBMFYSA-N 2 1 355.482 3.169 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068298994 493792310 /nfs/dbraw/zinc/79/23/10/493792310.db2.gz ZMCYYAMYWQZIKZ-HNNXBMFYSA-N 2 1 355.482 3.169 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568388231 505682556 /nfs/dbraw/zinc/68/25/56/505682556.db2.gz LAWDBCSEIKTEET-QSFMABPGSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]C1 ZINC000568388231 505682557 /nfs/dbraw/zinc/68/25/57/505682557.db2.gz LAWDBCSEIKTEET-QSFMABPGSA-N 2 1 363.933 3.227 20 0 FGADMP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145384 493832401 /nfs/dbraw/zinc/83/24/01/493832401.db2.gz QMOUDIKEJNMEDZ-VQIMIIECSA-N 2 1 361.530 3.216 20 0 FGADMP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145384 493832406 /nfs/dbraw/zinc/83/24/06/493832406.db2.gz QMOUDIKEJNMEDZ-VQIMIIECSA-N 2 1 361.530 3.216 20 0 FGADMP C[N@@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000049975471 493888087 /nfs/dbraw/zinc/88/80/87/493888087.db2.gz BIGNPAPCOYYVEJ-JOCHJYFZSA-N 2 1 363.505 3.411 20 0 FGADMP C[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000049975471 493888091 /nfs/dbraw/zinc/88/80/91/493888091.db2.gz BIGNPAPCOYYVEJ-JOCHJYFZSA-N 2 1 363.505 3.411 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000068887157 493889533 /nfs/dbraw/zinc/88/95/33/493889533.db2.gz LPSSWWKOFRGIMM-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000069017223 493907479 /nfs/dbraw/zinc/90/74/79/493907479.db2.gz UTBQHJIHQOXGGT-RTBURBONSA-N 2 1 373.541 3.063 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578922 493922114 /nfs/dbraw/zinc/92/21/14/493922114.db2.gz JWDVMFPHQXSTEY-RXVVDRJESA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578922 493922116 /nfs/dbraw/zinc/92/21/16/493922116.db2.gz JWDVMFPHQXSTEY-RXVVDRJESA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578922 493922120 /nfs/dbraw/zinc/92/21/20/493922120.db2.gz JWDVMFPHQXSTEY-RXVVDRJESA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578922 493922122 /nfs/dbraw/zinc/92/21/22/493922122.db2.gz JWDVMFPHQXSTEY-RXVVDRJESA-N 2 1 356.510 3.243 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081597140 493925154 /nfs/dbraw/zinc/92/51/54/493925154.db2.gz XYEMPYJLJQCKMD-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081597140 493925157 /nfs/dbraw/zinc/92/51/57/493925157.db2.gz XYEMPYJLJQCKMD-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081597140 493925161 /nfs/dbraw/zinc/92/51/61/493925161.db2.gz XYEMPYJLJQCKMD-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081597140 493925165 /nfs/dbraw/zinc/92/51/65/493925165.db2.gz XYEMPYJLJQCKMD-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000568427421 505691826 /nfs/dbraw/zinc/69/18/26/505691826.db2.gz UUMVEMVBBVPROP-MISYRCLQSA-N 2 1 352.478 3.327 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3c(n2)CCC3)[C@@H](c2ccccc2)C1 ZINC000580165070 505693027 /nfs/dbraw/zinc/69/30/27/505693027.db2.gz UBPGROTUOGDODK-HSZRJFAPSA-N 2 1 364.537 3.039 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061863598 493997043 /nfs/dbraw/zinc/99/70/43/493997043.db2.gz GKGGTYOFNLJFJW-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061863598 493997050 /nfs/dbraw/zinc/99/70/50/493997050.db2.gz GKGGTYOFNLJFJW-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000061863598 493997056 /nfs/dbraw/zinc/99/70/56/493997056.db2.gz GKGGTYOFNLJFJW-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084440687 494073192 /nfs/dbraw/zinc/07/31/92/494073192.db2.gz YUGPXXMMNDGGQA-QGZVFWFLSA-N 2 1 366.575 3.086 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000063917493 494098391 /nfs/dbraw/zinc/09/83/91/494098391.db2.gz FXJLOHOAGNWPQS-LJQANCHMSA-N 2 1 369.509 3.491 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000084962176 494108587 /nfs/dbraw/zinc/10/85/87/494108587.db2.gz SDOFIZDUIADTEK-UHFFFAOYSA-N 2 1 367.484 3.025 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC(C)(C)[NH+]3CCCCC3)CC2)c1 ZINC000071923140 494108671 /nfs/dbraw/zinc/10/86/71/494108671.db2.gz RKYARKJZMIDAOX-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC2CCC2)[C@H](C)c2ccccc2)CC1 ZINC000077658092 494134068 /nfs/dbraw/zinc/13/40/68/494134068.db2.gz ISVDLOMXHFPLIY-GOSISDBHSA-N 2 1 357.542 3.450 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000086167116 494142682 /nfs/dbraw/zinc/14/26/82/494142682.db2.gz AOPHFTCQEJQREQ-MRXNPFEDSA-N 2 1 355.486 3.027 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)cc1 ZINC000568495062 505708940 /nfs/dbraw/zinc/70/89/40/505708940.db2.gz RHDKHRUXHQWCRA-DBXWQHBBSA-N 2 1 357.542 3.331 20 0 FGADMP CC(CC[NH+]1CCCC[C@H]1C1(O)CC1)CC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000568484290 505706189 /nfs/dbraw/zinc/70/61/89/505706189.db2.gz GPZHYRMEKSFDPB-PMACEKPBSA-N 2 1 364.574 3.162 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)CC1 ZINC000088670590 494254945 /nfs/dbraw/zinc/25/49/45/494254945.db2.gz QJRNWLDTAQSXKV-UHFFFAOYSA-N 3 1 358.574 3.183 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089158359 494270792 /nfs/dbraw/zinc/27/07/92/494270792.db2.gz XVMCRCXGMWOAON-DYESRHJHSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089158359 494270795 /nfs/dbraw/zinc/27/07/95/494270795.db2.gz XVMCRCXGMWOAON-DYESRHJHSA-N 2 1 355.526 3.030 20 0 FGADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000089393326 494299060 /nfs/dbraw/zinc/29/90/60/494299060.db2.gz RYVKJJLHCLHPIS-LJQANCHMSA-N 2 1 370.541 3.069 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000078484942 494305053 /nfs/dbraw/zinc/30/50/53/494305053.db2.gz FUDKPRJXVIJWSP-RTBURBONSA-N 2 1 370.497 3.019 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512194 505712921 /nfs/dbraw/zinc/71/29/21/505712921.db2.gz QSNNUQFNEZFUKK-WXRXAMBDSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512194 505712924 /nfs/dbraw/zinc/71/29/24/505712924.db2.gz QSNNUQFNEZFUKK-WXRXAMBDSA-N 2 1 370.324 3.230 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)[C@H](C)C1 ZINC000089549098 494324256 /nfs/dbraw/zinc/32/42/56/494324256.db2.gz IDVJFLMUXRBTTC-UXPWSPDFSA-N 2 1 365.949 3.033 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000078598756 494327604 /nfs/dbraw/zinc/32/76/04/494327604.db2.gz DGEHCKJFWXSAMZ-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044293027 494347500 /nfs/dbraw/zinc/34/75/00/494347500.db2.gz IYDNRRYTEKOFGW-UHFFFAOYSA-N 2 1 352.482 3.098 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)CC1 ZINC000066568464 494357650 /nfs/dbraw/zinc/35/76/50/494357650.db2.gz JKKGDZOIWUFERG-KRWDZBQOSA-N 2 1 361.505 3.153 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000078799998 494363916 /nfs/dbraw/zinc/36/39/16/494363916.db2.gz FTUCGDYOBGZRMH-LJQANCHMSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000079121452 494406453 /nfs/dbraw/zinc/40/64/53/494406453.db2.gz JOPNZJAEQDGUAO-ICSRJNTNSA-N 2 1 360.546 3.243 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000074001656 494463901 /nfs/dbraw/zinc/46/39/01/494463901.db2.gz XECYZVMTUFEMCX-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000090521921 494477196 /nfs/dbraw/zinc/47/71/96/494477196.db2.gz KCDWMWOONJMWMO-GZOSKZMVSA-N 2 1 374.447 3.055 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)CCC)C1 ZINC000074162392 494490432 /nfs/dbraw/zinc/49/04/32/494490432.db2.gz AAPQMYFDXQOCBP-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000074162392 494490435 /nfs/dbraw/zinc/49/04/35/494490435.db2.gz AAPQMYFDXQOCBP-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000074162392 494490438 /nfs/dbraw/zinc/49/04/38/494490438.db2.gz AAPQMYFDXQOCBP-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](O)Cc1ccccc1 ZINC000090653661 494490918 /nfs/dbraw/zinc/49/09/18/494490918.db2.gz KQOVGMQEBAMUIA-FDDCHVKYSA-N 2 1 370.512 3.414 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000079710111 494512820 /nfs/dbraw/zinc/51/28/20/494512820.db2.gz RMZASWFNNBIZFW-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000074322863 494518488 /nfs/dbraw/zinc/51/84/88/494518488.db2.gz UFDKPNIVLSEZNQ-FQEVSTJZSA-N 2 1 357.542 3.332 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000067390370 494530119 /nfs/dbraw/zinc/53/01/19/494530119.db2.gz QWVZSPWGAPWKJM-OALUTQOASA-N 2 1 374.573 3.400 20 0 FGADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000571431506 505731759 /nfs/dbraw/zinc/73/17/59/505731759.db2.gz MNHSVILTQUYKCJ-SLFFLAALSA-N 2 1 371.456 3.260 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)[C@H](C)C1 ZINC000091725271 494656833 /nfs/dbraw/zinc/65/68/33/494656833.db2.gz URFLCNSNSZFDFA-SYNHAJSKSA-N 2 1 373.545 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)[C@H](C)C1 ZINC000091725271 494656837 /nfs/dbraw/zinc/65/68/37/494656837.db2.gz URFLCNSNSZFDFA-SYNHAJSKSA-N 2 1 373.545 3.134 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080610648 494744675 /nfs/dbraw/zinc/74/46/75/494744675.db2.gz DLSBODCLJPERRD-RTBURBONSA-N 2 1 373.566 3.357 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccc(F)cc1 ZINC000092821506 494763672 /nfs/dbraw/zinc/76/36/72/494763672.db2.gz KIKJZDWSJZXLCI-UHFFFAOYSA-N 2 1 370.472 3.398 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396104 494772582 /nfs/dbraw/zinc/77/25/82/494772582.db2.gz QUZCTRPKKCWOLR-FCEWJHQRSA-N 2 1 363.546 3.217 20 0 FGADMP C[C@H]1C[N@H+](C2CCN(CC(C)(C)C[NH+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782380 /nfs/dbraw/zinc/78/23/80/494782380.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@H]1C[NH+](C2CCN(CC(C)(C)C[N@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782390 /nfs/dbraw/zinc/78/23/90/494782390.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@H]1C[NH+](C2CCN(CC(C)(C)C[N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000092079542 494782391 /nfs/dbraw/zinc/78/23/91/494782391.db2.gz PVLZQBZDGPRRIH-FQEVSTJZSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116422239 494782398 /nfs/dbraw/zinc/78/23/98/494782398.db2.gz HCMWNKDSFLNFAD-MSOLQXFVSA-N 2 1 354.583 3.164 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)(C)C ZINC000116440423 494786136 /nfs/dbraw/zinc/78/61/36/494786136.db2.gz BDSVLOKLNDCRIP-HXUWFJFHSA-N 2 1 374.573 3.270 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000568642557 505743292 /nfs/dbraw/zinc/74/32/92/505743292.db2.gz PYRRKWLHTIPGOT-FKBYEOEOSA-N 3 1 357.542 3.124 20 0 FGADMP CN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000568642557 505743296 /nfs/dbraw/zinc/74/32/96/505743296.db2.gz PYRRKWLHTIPGOT-FKBYEOEOSA-N 2 1 357.542 3.124 20 0 FGADMP C[N@@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000568642557 505743302 /nfs/dbraw/zinc/74/33/02/505743302.db2.gz PYRRKWLHTIPGOT-FKBYEOEOSA-N 2 1 357.542 3.124 20 0 FGADMP C[N@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000568642557 505743305 /nfs/dbraw/zinc/74/33/05/505743305.db2.gz PYRRKWLHTIPGOT-FKBYEOEOSA-N 2 1 357.542 3.124 20 0 FGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OCc1cccnc1 ZINC000093089143 494824638 /nfs/dbraw/zinc/82/46/38/494824638.db2.gz MYDDHLQZOSHFNZ-UHFFFAOYSA-N 2 1 369.509 3.443 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc4ccccc4s3)CC2)CC1 ZINC000093142361 494834237 /nfs/dbraw/zinc/83/42/37/494834237.db2.gz UDFDOBAVIFJHDD-UHFFFAOYSA-N 2 1 371.550 3.277 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000132498815 494883682 /nfs/dbraw/zinc/88/36/82/494883682.db2.gz QKFBPMHDAZNUSK-QFIPXVFZSA-N 2 1 371.569 3.479 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683860 494911255 /nfs/dbraw/zinc/91/12/55/494911255.db2.gz INWSQZIMXRHQQY-QGZVFWFLSA-N 2 1 354.498 3.393 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683860 494911258 /nfs/dbraw/zinc/91/12/58/494911258.db2.gz INWSQZIMXRHQQY-QGZVFWFLSA-N 2 1 354.498 3.393 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742260 494916490 /nfs/dbraw/zinc/91/64/90/494916490.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742260 494916493 /nfs/dbraw/zinc/91/64/93/494916493.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742260 494916497 /nfs/dbraw/zinc/91/64/97/494916497.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742260 494916501 /nfs/dbraw/zinc/91/65/01/494916501.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742260 494916503 /nfs/dbraw/zinc/91/65/03/494916503.db2.gz NELPZGRGFUFKAW-HXUWFJFHSA-N 3 1 372.601 3.381 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000122081247 494920250 /nfs/dbraw/zinc/92/02/50/494920250.db2.gz YDWCYAVEBFCSJM-UHFFFAOYSA-N 2 1 371.525 3.421 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000122081247 494920253 /nfs/dbraw/zinc/92/02/53/494920253.db2.gz YDWCYAVEBFCSJM-UHFFFAOYSA-N 2 1 371.525 3.421 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000122144398 494930707 /nfs/dbraw/zinc/93/07/07/494930707.db2.gz UIDBRNPTUFVEBK-HNNXBMFYSA-N 2 1 350.507 3.078 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C3CC3)no2)CC1 ZINC000122144398 494930711 /nfs/dbraw/zinc/93/07/11/494930711.db2.gz UIDBRNPTUFVEBK-HNNXBMFYSA-N 2 1 350.507 3.078 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(NC(C)=O)c2)CC1 ZINC000122174649 494935997 /nfs/dbraw/zinc/93/59/97/494935997.db2.gz WGKXIWIQZDCDGS-UHFFFAOYSA-N 2 1 361.530 3.215 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122342557 494960278 /nfs/dbraw/zinc/96/02/78/494960278.db2.gz RBHRKOTYKSPADZ-BFQNTYOBSA-N 2 1 353.304 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122342557 494960281 /nfs/dbraw/zinc/96/02/81/494960281.db2.gz RBHRKOTYKSPADZ-BFQNTYOBSA-N 2 1 353.304 3.202 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000580417621 505754934 /nfs/dbraw/zinc/75/49/34/505754934.db2.gz RZGLYEMDWXSXGM-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000580417621 505754937 /nfs/dbraw/zinc/75/49/37/505754937.db2.gz RZGLYEMDWXSXGM-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000580417621 505754939 /nfs/dbraw/zinc/75/49/39/505754939.db2.gz RZGLYEMDWXSXGM-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP CC(C)Sc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128107434 495045293 /nfs/dbraw/zinc/04/52/93/495045293.db2.gz JGIYVYHTXIBTQJ-WMZOPIPTSA-N 2 1 363.571 3.425 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000111231092 495051180 /nfs/dbraw/zinc/05/11/80/495051180.db2.gz DAQCYBCKODUSNJ-SJLPKXTDSA-N 2 1 367.484 3.451 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111231092 495051184 /nfs/dbraw/zinc/05/11/84/495051184.db2.gz DAQCYBCKODUSNJ-SJLPKXTDSA-N 2 1 367.484 3.451 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000128177144 495056248 /nfs/dbraw/zinc/05/62/48/495056248.db2.gz OIFQGLDCBZDVBZ-SXLOBPIMSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000123138085 495086100 /nfs/dbraw/zinc/08/61/00/495086100.db2.gz ZMIOCQNYBPKQIH-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000123138085 495086105 /nfs/dbraw/zinc/08/61/05/495086105.db2.gz ZMIOCQNYBPKQIH-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123138085 495086112 /nfs/dbraw/zinc/08/61/12/495086112.db2.gz ZMIOCQNYBPKQIH-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123138085 495086116 /nfs/dbraw/zinc/08/61/16/495086116.db2.gz ZMIOCQNYBPKQIH-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000123140953 495086411 /nfs/dbraw/zinc/08/64/11/495086411.db2.gz ADCBMWWSNIBCTN-LJQANCHMSA-N 2 1 363.933 3.499 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123274972 495107130 /nfs/dbraw/zinc/10/71/30/495107130.db2.gz BULIIBGVJQJONV-AWEZNQCLSA-N 2 1 353.457 3.346 20 0 FGADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccc1OC(F)F ZINC000577600861 505761656 /nfs/dbraw/zinc/76/16/56/505761656.db2.gz SZNWNBDTSWWYQI-BBRMVZONSA-N 2 1 350.409 3.345 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000128583258 495119627 /nfs/dbraw/zinc/11/96/27/495119627.db2.gz RWGNZXDMIBFUOW-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP Cc1ccccc1[C@H](C(C)C)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112357680 495179853 /nfs/dbraw/zinc/17/98/53/495179853.db2.gz LDOBAPZQHSEVRO-QFIPXVFZSA-N 2 1 357.542 3.367 20 0 FGADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000134697993 495187781 /nfs/dbraw/zinc/18/77/81/495187781.db2.gz AIYRKFKWYUKGAC-QGZVFWFLSA-N 2 1 369.509 3.012 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000134697993 495187784 /nfs/dbraw/zinc/18/77/84/495187784.db2.gz AIYRKFKWYUKGAC-QGZVFWFLSA-N 2 1 369.509 3.012 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000123847178 495196883 /nfs/dbraw/zinc/19/68/83/495196883.db2.gz DKXIWMFDTVHTMS-UHFFFAOYSA-N 2 1 350.503 3.027 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCCOC)c(OC)c2)CC1 ZINC000123847178 495196884 /nfs/dbraw/zinc/19/68/84/495196884.db2.gz DKXIWMFDTVHTMS-UHFFFAOYSA-N 2 1 350.503 3.027 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000129211323 495211287 /nfs/dbraw/zinc/21/12/87/495211287.db2.gz QPJLOZSZIMPIBT-UZLBHIALSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H](C)C1 ZINC000129211323 495211291 /nfs/dbraw/zinc/21/12/91/495211291.db2.gz QPJLOZSZIMPIBT-UZLBHIALSA-N 2 1 352.482 3.154 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1)CC(C)C ZINC000112915245 495256691 /nfs/dbraw/zinc/25/66/91/495256691.db2.gz ICMYZESAEPFMGR-FQEVSTJZSA-N 2 1 374.573 3.479 20 0 FGADMP CC(C)[N@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000105168649 495342737 /nfs/dbraw/zinc/34/27/37/495342737.db2.gz BORAMAHGBWKHQA-UHFFFAOYSA-N 2 1 365.521 3.260 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000105168649 495342741 /nfs/dbraw/zinc/34/27/41/495342741.db2.gz BORAMAHGBWKHQA-UHFFFAOYSA-N 2 1 365.521 3.260 20 0 FGADMP CCCC[C@H]1CCC[C@@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241425 495347985 /nfs/dbraw/zinc/34/79/85/495347985.db2.gz KGKVWDRVACTCOT-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000571625011 505776181 /nfs/dbraw/zinc/77/61/81/505776181.db2.gz RYRKCXTXKCUGRL-RTBURBONSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452643 505776805 /nfs/dbraw/zinc/77/68/05/505776805.db2.gz GTFDRTFNGCUREY-SQNIBIBYSA-N 2 1 373.566 3.225 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccoc2)C2CCCCC2)CC1 ZINC000124934225 495366082 /nfs/dbraw/zinc/36/60/82/495366082.db2.gz PYUGVEQLSQHNLF-UHFFFAOYSA-N 2 1 361.530 3.403 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000130527640 495406152 /nfs/dbraw/zinc/40/61/52/495406152.db2.gz CVOQWXAFOQEPNA-UHFFFAOYSA-N 2 1 370.541 3.170 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCc1ccc(C(C)(C)C)cc1 ZINC000130527640 495406156 /nfs/dbraw/zinc/40/61/56/495406156.db2.gz CVOQWXAFOQEPNA-UHFFFAOYSA-N 2 1 370.541 3.170 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000580534189 505780533 /nfs/dbraw/zinc/78/05/33/505780533.db2.gz CIMOYMWSWPNNFP-RBUKOAKNSA-N 2 1 359.445 3.199 20 0 FGADMP Cc1ccc2c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cc(=O)oc2c1 ZINC000106166307 495422047 /nfs/dbraw/zinc/42/20/47/495422047.db2.gz HNAYZJDCFHJARH-UHFFFAOYSA-N 2 1 351.450 3.290 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000114959271 495447061 /nfs/dbraw/zinc/44/70/61/495447061.db2.gz SJOMXXHUIWLERP-OAQYLSRUSA-N 2 1 374.573 3.189 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000114959270 495447128 /nfs/dbraw/zinc/44/71/28/495447128.db2.gz SJOMXXHUIWLERP-NRFANRHFSA-N 2 1 374.573 3.189 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000130802383 495447853 /nfs/dbraw/zinc/44/78/53/495447853.db2.gz PTKAPCFOGFXMFA-UHFFFAOYSA-N 2 1 356.514 3.341 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccccc1)C(C)(C)C ZINC000130802383 495447857 /nfs/dbraw/zinc/44/78/57/495447857.db2.gz PTKAPCFOGFXMFA-UHFFFAOYSA-N 2 1 356.514 3.341 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c2)cc1 ZINC000158709583 495572780 /nfs/dbraw/zinc/57/27/80/495572780.db2.gz WGGAQMBAVFDFFN-AVRDEDQJSA-N 2 1 365.521 3.355 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)c2)cc1 ZINC000158709583 495572787 /nfs/dbraw/zinc/57/27/87/495572787.db2.gz WGGAQMBAVFDFFN-AVRDEDQJSA-N 2 1 365.521 3.355 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@@H+]1C ZINC000154317294 495579113 /nfs/dbraw/zinc/57/91/13/495579113.db2.gz QZQBJNLBFRCULS-PXNSSMCTSA-N 2 1 368.525 3.378 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@H+]1C ZINC000154317294 495579119 /nfs/dbraw/zinc/57/91/19/495579119.db2.gz QZQBJNLBFRCULS-PXNSSMCTSA-N 2 1 368.525 3.378 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540675 495581228 /nfs/dbraw/zinc/58/12/28/495581228.db2.gz WNHAYYMERYRDPR-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000173557484 495586199 /nfs/dbraw/zinc/58/61/99/495586199.db2.gz VULMOYJEQOFEDH-XLIONFOSSA-N 2 1 360.546 3.153 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)[C@H](C)C1 ZINC000158828537 495596687 /nfs/dbraw/zinc/59/66/87/495596687.db2.gz YXICMSRAEDNDKC-LQWHRVPQSA-N 2 1 371.529 3.055 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685728 495679761 /nfs/dbraw/zinc/67/97/61/495679761.db2.gz UNPUUZPBOWPEMV-NYDSKATKSA-N 2 1 369.553 3.497 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685728 495679768 /nfs/dbraw/zinc/67/97/68/495679768.db2.gz UNPUUZPBOWPEMV-NYDSKATKSA-N 2 1 369.553 3.497 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3ccccc3c(=O)n2C)CC1 ZINC000182733147 495681646 /nfs/dbraw/zinc/68/16/46/495681646.db2.gz QEGNMVXUPBJGCP-UHFFFAOYSA-N 2 1 370.541 3.268 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722793 495697603 /nfs/dbraw/zinc/69/76/03/495697603.db2.gz ZZZVBNUMEQZTDT-RTBURBONSA-N 2 1 369.553 3.077 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722793 495697606 /nfs/dbraw/zinc/69/76/06/495697606.db2.gz ZZZVBNUMEQZTDT-RTBURBONSA-N 2 1 369.553 3.077 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159275602 495700242 /nfs/dbraw/zinc/70/02/42/495700242.db2.gz AYJSEKQGHAEWIU-IBGZPJMESA-N 2 1 357.542 3.137 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823533 495708355 /nfs/dbraw/zinc/70/83/55/495708355.db2.gz IVMUIYNJFYANIB-NJAFHUGGSA-N 2 1 366.575 3.255 20 0 FGADMP CCc1cnccc1C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000185754008 495711289 /nfs/dbraw/zinc/71/12/89/495711289.db2.gz QLBXWNJHEKWUJQ-LEWJYISDSA-N 2 1 372.557 3.053 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)COCc3cccs3)C2)CC1 ZINC000154735977 495712801 /nfs/dbraw/zinc/71/28/01/495712801.db2.gz WJWDOQCVEKZPPF-OALUTQOASA-N 2 1 366.571 3.070 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)COCc3cccs3)C2)CC1 ZINC000154735977 495712805 /nfs/dbraw/zinc/71/28/05/495712805.db2.gz WJWDOQCVEKZPPF-OALUTQOASA-N 2 1 366.571 3.070 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000176619262 495723005 /nfs/dbraw/zinc/72/30/05/495723005.db2.gz MEDABZVTKBMIJE-SFHVURJKSA-N 2 1 363.550 3.172 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCn2cc[nH+]c2C)C1 ZINC000176619262 495723013 /nfs/dbraw/zinc/72/30/13/495723013.db2.gz MEDABZVTKBMIJE-SFHVURJKSA-N 2 1 363.550 3.172 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182872614 495736302 /nfs/dbraw/zinc/73/63/02/495736302.db2.gz BNKZYXLSHOGREO-IHPCNDPISA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182954945 495773776 /nfs/dbraw/zinc/77/37/76/495773776.db2.gz JTTVTXHLCZYAPT-ZWKOTPCHSA-N 2 1 364.578 3.251 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)C[C@H](C)O1 ZINC000171307157 495813138 /nfs/dbraw/zinc/81/31/38/495813138.db2.gz CLASFJSKXPRCIU-IRXDYDNUSA-N 2 1 370.497 3.058 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174148884 495837962 /nfs/dbraw/zinc/83/79/62/495837962.db2.gz WMUMMTIHHGGKRM-LJQANCHMSA-N 2 1 372.557 3.154 20 0 FGADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174156691 495841636 /nfs/dbraw/zinc/84/16/36/495841636.db2.gz APFPAXFVNYVGNN-IAGOWNOFSA-N 2 1 357.498 3.304 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000183136197 495848855 /nfs/dbraw/zinc/84/88/55/495848855.db2.gz DJRSXIMGUPQOLB-KXBFYZLASA-N 2 1 371.506 3.471 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000574569599 505805011 /nfs/dbraw/zinc/80/50/11/505805011.db2.gz WCZGGSCVYHGKIN-OAQYLSRUSA-N 2 1 368.525 3.101 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccc(Cl)cc1 ZINC000571773780 505812184 /nfs/dbraw/zinc/81/21/84/505812184.db2.gz BQXRBXBMOUQBJV-MSOLQXFVSA-N 2 1 354.841 3.163 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000155360638 495932622 /nfs/dbraw/zinc/93/26/22/495932622.db2.gz OHNOCZBNMADODM-KRWDZBQOSA-N 2 1 369.513 3.133 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000177123570 495935790 /nfs/dbraw/zinc/93/57/90/495935790.db2.gz QERKXKJWKBIFPC-OAHLLOKOSA-N 2 1 369.431 3.452 20 0 FGADMP Cc1ccc2c(c1)OCCC[C@H]2NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000151775737 495943350 /nfs/dbraw/zinc/94/33/50/495943350.db2.gz RQFZCMJNUSUZHC-IFMALSPDSA-N 2 1 366.505 3.218 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453626 495965730 /nfs/dbraw/zinc/96/57/30/495965730.db2.gz ZHWAWQLSNMQIHH-NRSPTQNISA-N 2 1 372.557 3.256 20 0 FGADMP Cc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177494783 496085520 /nfs/dbraw/zinc/08/55/20/496085520.db2.gz RQIZGFQVNDNWEG-OALUTQOASA-N 2 1 373.541 3.145 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000183711580 496089126 /nfs/dbraw/zinc/08/91/26/496089126.db2.gz WNXHEKCSQITCGK-RDTXWAMCSA-N 2 1 358.511 3.022 20 0 FGADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000177655877 496148831 /nfs/dbraw/zinc/14/88/31/496148831.db2.gz DCSIRPUEZQWTRA-OAQYLSRUSA-N 2 1 369.553 3.206 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000172081360 496156105 /nfs/dbraw/zinc/15/61/05/496156105.db2.gz YPUWINZTPFXODO-NRFANRHFSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C(=O)N(C)C)c1ccccc1 ZINC000172081360 496156111 /nfs/dbraw/zinc/15/61/11/496156111.db2.gz YPUWINZTPFXODO-NRFANRHFSA-N 2 1 353.510 3.446 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000180829657 496162339 /nfs/dbraw/zinc/16/23/39/496162339.db2.gz URPBMKPNDKOLID-UKRRQHHQSA-N 2 1 368.319 3.158 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699697 496163717 /nfs/dbraw/zinc/16/37/17/496163717.db2.gz LDYJNBQKFQEBPW-HKUYNNGSSA-N 2 1 361.530 3.433 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000152491016 496166428 /nfs/dbraw/zinc/16/64/28/496166428.db2.gz PJNIAEGLINZDML-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152491016 496166431 /nfs/dbraw/zinc/16/64/31/496166431.db2.gz PJNIAEGLINZDML-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1cccc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152491016 496166436 /nfs/dbraw/zinc/16/64/36/496166436.db2.gz PJNIAEGLINZDML-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000172199753 496205710 /nfs/dbraw/zinc/20/57/10/496205710.db2.gz VKNRJGUOKFWSGT-OAQYLSRUSA-N 2 1 372.557 3.071 20 0 FGADMP CCCc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000186938913 496220048 /nfs/dbraw/zinc/22/00/48/496220048.db2.gz BFKSQHCMGNZBDI-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP CCC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000152727624 496238497 /nfs/dbraw/zinc/23/84/97/496238497.db2.gz IBPGTSGWHMMGOW-LJQANCHMSA-N 2 1 374.529 3.159 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000152767020 496249857 /nfs/dbraw/zinc/24/98/57/496249857.db2.gz YTUKFUSILALYTP-HDYDNRTBSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc(Cn3ccccc3=O)cc2)CC1 ZINC000177931551 496256341 /nfs/dbraw/zinc/25/63/41/496256341.db2.gz VYWNZFXLIZKXRK-UHFFFAOYSA-N 2 1 353.510 3.249 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H](c1ccco1)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167072 496274465 /nfs/dbraw/zinc/27/44/65/496274465.db2.gz UJYQHYPURKTOFM-IEBWSBKVSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000175167072 496274470 /nfs/dbraw/zinc/27/44/70/496274470.db2.gz UJYQHYPURKTOFM-IEBWSBKVSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167072 496274478 /nfs/dbraw/zinc/27/44/78/496274478.db2.gz UJYQHYPURKTOFM-IEBWSBKVSA-N 2 1 372.513 3.092 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172422953 496292517 /nfs/dbraw/zinc/29/25/17/496292517.db2.gz ZILRFPAGNLQMGU-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172422953 496292520 /nfs/dbraw/zinc/29/25/20/496292520.db2.gz ZILRFPAGNLQMGU-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172422953 496292522 /nfs/dbraw/zinc/29/25/22/496292522.db2.gz ZILRFPAGNLQMGU-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C3CCOCC3)c2C1 ZINC000162157592 496305692 /nfs/dbraw/zinc/30/56/92/496305692.db2.gz INLHKBQPEACHPN-NRFANRHFSA-N 2 1 371.525 3.240 20 0 FGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)c2C1 ZINC000162157592 496305695 /nfs/dbraw/zinc/30/56/95/496305695.db2.gz INLHKBQPEACHPN-NRFANRHFSA-N 2 1 371.525 3.240 20 0 FGADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCOCC3)c2C1 ZINC000162157592 496305702 /nfs/dbraw/zinc/30/57/02/496305702.db2.gz INLHKBQPEACHPN-NRFANRHFSA-N 2 1 371.525 3.240 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178087983 496324211 /nfs/dbraw/zinc/32/42/11/496324211.db2.gz NWDORADZXZNPHO-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP COCCC1(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CCCCC1 ZINC000187196641 496334661 /nfs/dbraw/zinc/33/46/61/496334661.db2.gz IJLATQYJCCRVFT-FQEVSTJZSA-N 2 1 351.579 3.075 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000175327870 496341059 /nfs/dbraw/zinc/34/10/59/496341059.db2.gz LTUUREQTPBJLGY-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162412864 496349237 /nfs/dbraw/zinc/34/92/37/496349237.db2.gz KTHBUGKUGPGILF-CTNGQTDRSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162412864 496349243 /nfs/dbraw/zinc/34/92/43/496349243.db2.gz KTHBUGKUGPGILF-CTNGQTDRSA-N 2 1 374.573 3.299 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000175417743 496383195 /nfs/dbraw/zinc/38/31/95/496383195.db2.gz ICLDGKLXGCOGJN-ROUUACIJSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175417743 496383198 /nfs/dbraw/zinc/38/31/98/496383198.db2.gz ICLDGKLXGCOGJN-ROUUACIJSA-N 2 1 371.529 3.037 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@](C)(O)C(C)C)CC2)c1C ZINC000187389912 496422213 /nfs/dbraw/zinc/42/22/13/496422213.db2.gz AMBFVUYYACSBNK-OAQYLSRUSA-N 2 1 363.546 3.010 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@](C)(O)C(C)C)CC2)c1C ZINC000187389912 496422215 /nfs/dbraw/zinc/42/22/15/496422215.db2.gz AMBFVUYYACSBNK-OAQYLSRUSA-N 2 1 363.546 3.010 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000187474435 496457051 /nfs/dbraw/zinc/45/70/51/496457051.db2.gz RFRHOUCZLYPLLU-GIVPXCGWSA-N 2 1 374.573 3.125 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000187474435 496457056 /nfs/dbraw/zinc/45/70/56/496457056.db2.gz RFRHOUCZLYPLLU-GIVPXCGWSA-N 2 1 374.573 3.125 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000187474435 496457064 /nfs/dbraw/zinc/45/70/64/496457064.db2.gz RFRHOUCZLYPLLU-GIVPXCGWSA-N 2 1 374.573 3.125 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc2c(ccc3ccccc23)o1 ZINC000181686480 496502385 /nfs/dbraw/zinc/50/23/85/496502385.db2.gz QMISEWJSFXNSJK-INIZCTEOSA-N 2 1 365.477 3.401 20 0 FGADMP CCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC[NH2+]CC1 ZINC000163346931 496503200 /nfs/dbraw/zinc/50/32/00/496503200.db2.gz QFTFSKOZRYQWSD-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@@H](C)O1 ZINC000163415080 496512562 /nfs/dbraw/zinc/51/25/62/496512562.db2.gz ZYPDQXDRANFCER-HUUCEWRRSA-N 2 1 361.461 3.288 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163443828 496516768 /nfs/dbraw/zinc/51/67/68/496516768.db2.gz JRGOQBLNVJOWMW-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730342 496518685 /nfs/dbraw/zinc/51/86/85/496518685.db2.gz KELIKHPMHKMVFT-IUODEOHRSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730342 496518688 /nfs/dbraw/zinc/51/86/88/496518688.db2.gz KELIKHPMHKMVFT-IUODEOHRSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@H](C)C1 ZINC000175730342 496518693 /nfs/dbraw/zinc/51/86/93/496518693.db2.gz KELIKHPMHKMVFT-IUODEOHRSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(F)c1 ZINC000157691751 496530155 /nfs/dbraw/zinc/53/01/55/496530155.db2.gz FDNOSUTYAGOLHU-KRWDZBQOSA-N 2 1 350.482 3.014 20 0 FGADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc2cc(OC)ccc2c1 ZINC000178670488 496534931 /nfs/dbraw/zinc/53/49/31/496534931.db2.gz CPMSFYISEARMFR-NRFANRHFSA-N 2 1 369.509 3.053 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175782581 496543712 /nfs/dbraw/zinc/54/37/12/496543712.db2.gz DSMWSFNFOOLEBH-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000187882032 496607496 /nfs/dbraw/zinc/60/74/96/496607496.db2.gz VCEUTSBKCSOLNV-MDZRGWNJSA-N 2 1 360.477 3.117 20 0 FGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(Cl)cn1 ZINC000178915987 496615477 /nfs/dbraw/zinc/61/54/77/496615477.db2.gz NTOXHEVYOHGADA-UHFFFAOYSA-N 2 1 364.921 3.262 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158110541 496628908 /nfs/dbraw/zinc/62/89/08/496628908.db2.gz SUCZGGPPRIMPOF-ZIAGYGMSSA-N 2 1 357.420 3.354 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000164881629 496637491 /nfs/dbraw/zinc/63/74/91/496637491.db2.gz JOCKHNSGGAWINE-HNAYVOBHSA-N 2 1 371.550 3.434 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)[C@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000164881629 496637496 /nfs/dbraw/zinc/63/74/96/496637496.db2.gz JOCKHNSGGAWINE-HNAYVOBHSA-N 2 1 371.550 3.434 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC000182033804 496643097 /nfs/dbraw/zinc/64/30/97/496643097.db2.gz HAJCONDTDOCWIR-AWEZNQCLSA-N 2 1 361.873 3.315 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000165002587 496644345 /nfs/dbraw/zinc/64/43/45/496644345.db2.gz XYLHDMKIRJEWNY-BXWFABGCSA-N 2 1 351.560 3.368 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000165002587 496644351 /nfs/dbraw/zinc/64/43/51/496644351.db2.gz XYLHDMKIRJEWNY-BXWFABGCSA-N 2 1 351.560 3.368 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nccnc3C)CC2)cs1 ZINC000187998403 496645967 /nfs/dbraw/zinc/64/59/67/496645967.db2.gz YMPREUACLGYEER-HNNXBMFYSA-N 2 1 359.543 3.367 20 0 FGADMP COc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969486 496674457 /nfs/dbraw/zinc/67/44/57/496674457.db2.gz FFEJLGMDGBTYBZ-VWPQPMDRSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969486 496674462 /nfs/dbraw/zinc/67/44/62/496674462.db2.gz FFEJLGMDGBTYBZ-VWPQPMDRSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969486 496674465 /nfs/dbraw/zinc/67/44/65/496674465.db2.gz FFEJLGMDGBTYBZ-VWPQPMDRSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168459 496678063 /nfs/dbraw/zinc/67/80/63/496678063.db2.gz BNRNUWXKVZSLDK-SIFCLUCFSA-N 2 1 351.485 3.248 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000574803013 505859193 /nfs/dbraw/zinc/85/91/93/505859193.db2.gz DVMICSRIDGEXKT-KRWDZBQOSA-N 2 1 365.930 3.051 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000574803013 505859197 /nfs/dbraw/zinc/85/91/97/505859197.db2.gz DVMICSRIDGEXKT-KRWDZBQOSA-N 2 1 365.930 3.051 20 0 FGADMP C[C@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000167681496 496704563 /nfs/dbraw/zinc/70/45/63/496704563.db2.gz YXVAJBQVYVUITC-SJORKVTESA-N 2 1 359.514 3.044 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](C3CCC(C(C)C)CC3)CC1)CC2 ZINC000574814228 505861362 /nfs/dbraw/zinc/86/13/62/505861362.db2.gz AJWLGUMDSDQEAY-GPJFCIFZSA-N 2 1 372.557 3.113 20 0 FGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(C)C ZINC000182258569 496721445 /nfs/dbraw/zinc/72/14/45/496721445.db2.gz GKMHBVQJGOYVIM-PWRODBHTSA-N 2 1 360.542 3.183 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182352384 496731013 /nfs/dbraw/zinc/73/10/13/496731013.db2.gz BNRDQUGKYKESNK-QZTJIDSGSA-N 2 1 352.567 3.057 20 0 FGADMP C[NH+](C)[C@@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893250 505863024 /nfs/dbraw/zinc/86/30/24/505863024.db2.gz ZFYODAJTLKPZQE-PZJWPPBQSA-N 2 1 359.583 3.211 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000246999053 496747119 /nfs/dbraw/zinc/74/71/19/496747119.db2.gz KUEMRGBUEXXROX-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000246999053 496747124 /nfs/dbraw/zinc/74/71/24/496747124.db2.gz KUEMRGBUEXXROX-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000247003866 496748446 /nfs/dbraw/zinc/74/84/46/496748446.db2.gz GXNMOTKQJANWMV-SLFFLAALSA-N 2 1 366.594 3.022 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000277401821 496761358 /nfs/dbraw/zinc/76/13/58/496761358.db2.gz ZNJSNCGQROLQAB-KRWDZBQOSA-N 2 1 370.497 3.079 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)COc1cccc2[nH]ccc21 ZINC000277401821 496761365 /nfs/dbraw/zinc/76/13/65/496761365.db2.gz ZNJSNCGQROLQAB-KRWDZBQOSA-N 2 1 370.497 3.079 20 0 FGADMP Cc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268697932 496762419 /nfs/dbraw/zinc/76/24/19/496762419.db2.gz ALUHIJJQMNQUDI-GOSISDBHSA-N 2 1 351.494 3.233 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000247077708 496771839 /nfs/dbraw/zinc/77/18/39/496771839.db2.gz VNZZWXQCRYHKES-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000247077708 496771843 /nfs/dbraw/zinc/77/18/43/496771843.db2.gz VNZZWXQCRYHKES-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000247077708 496771847 /nfs/dbraw/zinc/77/18/47/496771847.db2.gz VNZZWXQCRYHKES-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000247077708 496771848 /nfs/dbraw/zinc/77/18/48/496771848.db2.gz VNZZWXQCRYHKES-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000191512330 496792955 /nfs/dbraw/zinc/79/29/55/496792955.db2.gz IBXUJTKFUAJYIN-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000191512330 496792961 /nfs/dbraw/zinc/79/29/61/496792961.db2.gz IBXUJTKFUAJYIN-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247156669 496794094 /nfs/dbraw/zinc/79/40/94/496794094.db2.gz TYJXLLRORKNTAO-IAGOWNOFSA-N 2 1 352.544 3.253 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247156447 496794319 /nfs/dbraw/zinc/79/43/19/496794319.db2.gz TXMDTLCCUAVWRP-BVYCBKJFSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247156447 496794323 /nfs/dbraw/zinc/79/43/23/496794323.db2.gz TXMDTLCCUAVWRP-BVYCBKJFSA-N 2 1 358.574 3.392 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000268837848 496799356 /nfs/dbraw/zinc/79/93/56/496799356.db2.gz HFTIIKNLOPFVMX-UHFFFAOYSA-N 2 1 360.889 3.129 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000247234525 496811610 /nfs/dbraw/zinc/81/16/10/496811610.db2.gz XEJPTVLDWGEVIM-STZQEDGTSA-N 2 1 356.558 3.146 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000247234525 496811618 /nfs/dbraw/zinc/81/16/18/496811618.db2.gz XEJPTVLDWGEVIM-STZQEDGTSA-N 2 1 356.558 3.146 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1OCC(=O)N(C)C ZINC000247239298 496813409 /nfs/dbraw/zinc/81/34/09/496813409.db2.gz XKKSBXSGTRHRLO-LMMKCTJWSA-N 2 1 361.530 3.067 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)nc12 ZINC000273492679 496821776 /nfs/dbraw/zinc/82/17/76/496821776.db2.gz XDVNDQODGWXBFI-DZGCQCFKSA-N 2 1 365.319 3.020 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280397 496822835 /nfs/dbraw/zinc/82/28/35/496822835.db2.gz FWXRBGBGOLUCLN-JBACZVJFSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280397 496822838 /nfs/dbraw/zinc/82/28/38/496822838.db2.gz FWXRBGBGOLUCLN-JBACZVJFSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247280397 496822841 /nfs/dbraw/zinc/82/28/41/496822841.db2.gz FWXRBGBGOLUCLN-JBACZVJFSA-N 2 1 357.542 3.087 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000191612835 496831033 /nfs/dbraw/zinc/83/10/33/496831033.db2.gz NTZSPYCVJZWUSN-HSZRJFAPSA-N 2 1 352.522 3.195 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000269308783 496916224 /nfs/dbraw/zinc/91/62/24/496916224.db2.gz VPHVIFUWSDJPDI-DYESRHJHSA-N 2 1 366.509 3.103 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@H]1c1ccccc1 ZINC000247964223 496933442 /nfs/dbraw/zinc/93/34/42/496933442.db2.gz DKMMZSRHXKSLRP-WOJBJXKFSA-N 2 1 358.530 3.043 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127641 496958499 /nfs/dbraw/zinc/95/84/99/496958499.db2.gz OCICMPDKYJMKIE-GPMSIDNRSA-N 2 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127641 496958502 /nfs/dbraw/zinc/95/85/02/496958502.db2.gz OCICMPDKYJMKIE-GPMSIDNRSA-N 3 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127641 496958506 /nfs/dbraw/zinc/95/85/06/496958506.db2.gz OCICMPDKYJMKIE-GPMSIDNRSA-N 3 1 364.603 3.236 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248127603 496958598 /nfs/dbraw/zinc/95/85/98/496958598.db2.gz XIJSQOISOOJIJO-TZIWHRDSSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248127603 496958604 /nfs/dbraw/zinc/95/86/04/496958604.db2.gz XIJSQOISOOJIJO-TZIWHRDSSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000248127603 496958607 /nfs/dbraw/zinc/95/86/07/496958607.db2.gz XIJSQOISOOJIJO-TZIWHRDSSA-N 2 1 357.542 3.422 20 0 FGADMP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248157865 496965747 /nfs/dbraw/zinc/96/57/47/496965747.db2.gz RQCFUAMGQPQKBM-FCHUYYIVSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248157865 496965749 /nfs/dbraw/zinc/96/57/49/496965749.db2.gz RQCFUAMGQPQKBM-FCHUYYIVSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248157865 496965752 /nfs/dbraw/zinc/96/57/52/496965752.db2.gz RQCFUAMGQPQKBM-FCHUYYIVSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248157865 496965754 /nfs/dbraw/zinc/96/57/54/496965754.db2.gz RQCFUAMGQPQKBM-FCHUYYIVSA-N 2 1 363.505 3.272 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163812 496966886 /nfs/dbraw/zinc/96/68/86/496966886.db2.gz SPEPYVMIKCFLEO-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163812 496966889 /nfs/dbraw/zinc/96/68/89/496966889.db2.gz SPEPYVMIKCFLEO-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163812 496966895 /nfs/dbraw/zinc/96/68/95/496966895.db2.gz SPEPYVMIKCFLEO-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163812 496966899 /nfs/dbraw/zinc/96/68/99/496966899.db2.gz SPEPYVMIKCFLEO-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC[C@H]21 ZINC000248163812 496966905 /nfs/dbraw/zinc/96/69/05/496966905.db2.gz SPEPYVMIKCFLEO-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)N(C)CCCn2cc[nH+]c2C)cc1 ZINC000269536777 496967545 /nfs/dbraw/zinc/96/75/45/496967545.db2.gz UTNXEBHEPZECNE-UHFFFAOYSA-N 2 1 372.513 3.074 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248198843 496971479 /nfs/dbraw/zinc/97/14/79/496971479.db2.gz XYLHDMKIRJEWNY-TXPKVOOTSA-N 2 1 351.560 3.368 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248198843 496971482 /nfs/dbraw/zinc/97/14/82/496971482.db2.gz XYLHDMKIRJEWNY-TXPKVOOTSA-N 2 1 351.560 3.368 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248217398 496974196 /nfs/dbraw/zinc/97/41/96/496974196.db2.gz ZWJJSIKSZPROHZ-VMXMFDLUSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000248217398 496974200 /nfs/dbraw/zinc/97/42/00/496974200.db2.gz ZWJJSIKSZPROHZ-VMXMFDLUSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000248217398 496974203 /nfs/dbraw/zinc/97/42/03/496974203.db2.gz ZWJJSIKSZPROHZ-VMXMFDLUSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000248217398 496974206 /nfs/dbraw/zinc/97/42/06/496974206.db2.gz ZWJJSIKSZPROHZ-VMXMFDLUSA-N 2 1 357.542 3.449 20 0 FGADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1 ZINC000189052709 496992424 /nfs/dbraw/zinc/99/24/24/496992424.db2.gz JPAHFGLVYYPSSE-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000248403324 496998957 /nfs/dbraw/zinc/99/89/57/496998957.db2.gz OMNAKIGIJQXZPK-ACESQOTJSA-N 2 1 372.553 3.320 20 0 FGADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248420620 497005040 /nfs/dbraw/zinc/00/50/40/497005040.db2.gz XGOGOFZBQIGTSY-XYEHWOGUSA-N 2 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248420620 497005044 /nfs/dbraw/zinc/00/50/44/497005044.db2.gz XGOGOFZBQIGTSY-XYEHWOGUSA-N 3 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248420620 497005046 /nfs/dbraw/zinc/00/50/46/497005046.db2.gz XGOGOFZBQIGTSY-XYEHWOGUSA-N 3 1 352.526 3.328 20 0 FGADMP C[C@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc2c(s1)CCCC2 ZINC000248458116 497018298 /nfs/dbraw/zinc/01/82/98/497018298.db2.gz ULTFFGRSXLIVBH-MAUKXSAKSA-N 2 1 371.550 3.439 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nc2c(s1)CCCC2 ZINC000248458116 497018304 /nfs/dbraw/zinc/01/83/04/497018304.db2.gz ULTFFGRSXLIVBH-MAUKXSAKSA-N 2 1 371.550 3.439 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248599279 497052468 /nfs/dbraw/zinc/05/24/68/497052468.db2.gz UNPUUZPBOWPEMV-XTQVGHSUSA-N 2 1 369.553 3.497 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H](c1ccccc1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248599279 497052473 /nfs/dbraw/zinc/05/24/73/497052473.db2.gz UNPUUZPBOWPEMV-XTQVGHSUSA-N 2 1 369.553 3.497 20 0 FGADMP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569228364 505883550 /nfs/dbraw/zinc/88/35/50/505883550.db2.gz RNECPPHFVCFXKK-TZIWHRDSSA-N 2 1 352.482 3.344 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344096 497088610 /nfs/dbraw/zinc/08/86/10/497088610.db2.gz COJAKINEJSVCGE-WMLDXEAASA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344096 497088615 /nfs/dbraw/zinc/08/86/15/497088615.db2.gz COJAKINEJSVCGE-WMLDXEAASA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344096 497088618 /nfs/dbraw/zinc/08/86/18/497088618.db2.gz COJAKINEJSVCGE-WMLDXEAASA-N 2 1 353.304 3.244 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)cs2)cc1OC ZINC000265302497 497093991 /nfs/dbraw/zinc/09/39/91/497093991.db2.gz GPRHYMWYWGSGJP-UHFFFAOYSA-N 2 1 363.527 3.471 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cc(Br)cc3c2OCC3)C1 ZINC000228474738 497094512 /nfs/dbraw/zinc/09/45/12/497094512.db2.gz RVWOKMHMKHUSGP-ZDUSSCGKSA-N 2 1 353.304 3.204 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000228474738 497094515 /nfs/dbraw/zinc/09/45/15/497094515.db2.gz RVWOKMHMKHUSGP-ZDUSSCGKSA-N 2 1 353.304 3.204 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000228474738 497094520 /nfs/dbraw/zinc/09/45/20/497094520.db2.gz RVWOKMHMKHUSGP-ZDUSSCGKSA-N 2 1 353.304 3.204 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000248826262 497111424 /nfs/dbraw/zinc/11/14/24/497111424.db2.gz LYOYPMLDEKPKHI-VQIMIIECSA-N 2 1 372.557 3.115 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236674273 497130779 /nfs/dbraw/zinc/13/07/79/497130779.db2.gz YDBKTVYSVCZGAI-RLLQIKCJSA-N 2 1 357.542 3.093 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278498001 497134885 /nfs/dbraw/zinc/13/48/85/497134885.db2.gz QFTLVWOSOBOCCH-NRSPTQNISA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278498001 497134890 /nfs/dbraw/zinc/13/48/90/497134890.db2.gz QFTLVWOSOBOCCH-NRSPTQNISA-N 2 1 367.541 3.032 20 0 FGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278497590 497134944 /nfs/dbraw/zinc/13/49/44/497134944.db2.gz LJLVUAVHGOEPOI-ROUUACIJSA-N 2 1 361.530 3.057 20 0 FGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278497590 497134949 /nfs/dbraw/zinc/13/49/49/497134949.db2.gz LJLVUAVHGOEPOI-ROUUACIJSA-N 2 1 361.530 3.057 20 0 FGADMP COc1ccc(C[C@@H](C)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000249021794 497151814 /nfs/dbraw/zinc/15/18/14/497151814.db2.gz QUUFQNFJBUKVIU-MJGOQNOKSA-N 2 1 364.505 3.057 20 0 FGADMP COc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCCC2)cc1 ZINC000192598855 497160396 /nfs/dbraw/zinc/16/03/96/497160396.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCCC2)cc1 ZINC000192598855 497160400 /nfs/dbraw/zinc/16/04/00/497160400.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCCC2)cc1 ZINC000192598855 497160405 /nfs/dbraw/zinc/16/04/05/497160405.db2.gz JQUXFWDQWXSOGS-GFSYIJCISA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCS2 ZINC000249213394 497181134 /nfs/dbraw/zinc/18/11/34/497181134.db2.gz ZBZNHJNVZDNPHZ-IBGZPJMESA-N 2 1 363.571 3.239 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000249281769 497185567 /nfs/dbraw/zinc/18/55/67/497185567.db2.gz KZKULHUHFXWAGW-JFSTXAPLSA-N 2 1 352.522 3.336 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887393 497191460 /nfs/dbraw/zinc/19/14/60/497191460.db2.gz ITEXHGAKQHNKQE-HFSMHLIXSA-N 2 1 354.494 3.229 20 0 FGADMP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237269541 497213723 /nfs/dbraw/zinc/21/37/23/497213723.db2.gz LWCJBEPKTDCGGA-NHCUHLMSSA-N 2 1 351.494 3.200 20 0 FGADMP CCC[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192808966 497219682 /nfs/dbraw/zinc/21/96/82/497219682.db2.gz CMZRNXPWVRNOSG-JOCHJYFZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237397400 497231036 /nfs/dbraw/zinc/23/10/36/497231036.db2.gz TVEAYVFCEFSYAY-CRAIPNDOSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237397400 497231041 /nfs/dbraw/zinc/23/10/41/497231041.db2.gz TVEAYVFCEFSYAY-CRAIPNDOSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237411951 497233534 /nfs/dbraw/zinc/23/35/34/497233534.db2.gz XRQNXYHFOUZVRI-GHTZIAJQSA-N 2 1 357.542 3.437 20 0 FGADMP C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237469422 497241489 /nfs/dbraw/zinc/24/14/89/497241489.db2.gz RVTPSSBTLGXKGN-DLBZAZTESA-N 2 1 363.571 3.102 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000271015061 497246717 /nfs/dbraw/zinc/24/67/17/497246717.db2.gz MYBBIUIPHISCRK-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1cccc(Br)c1 ZINC000271015061 497246713 /nfs/dbraw/zinc/24/67/13/497246713.db2.gz MYBBIUIPHISCRK-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278871412 497249980 /nfs/dbraw/zinc/24/99/80/497249980.db2.gz WZQXWRZQCVGUDI-YHINDDMVSA-N 2 1 369.553 3.419 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237685360 497276256 /nfs/dbraw/zinc/27/62/56/497276256.db2.gz DRRZGSFNKLBULT-SVMVAKDDSA-N 2 1 365.521 3.481 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000271195340 497287132 /nfs/dbraw/zinc/28/71/32/497287132.db2.gz SRTUUWCTTYBEBE-MRXNPFEDSA-N 2 1 368.481 3.113 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000271195340 497287133 /nfs/dbraw/zinc/28/71/33/497287133.db2.gz SRTUUWCTTYBEBE-MRXNPFEDSA-N 2 1 368.481 3.113 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000271197402 497288033 /nfs/dbraw/zinc/28/80/33/497288033.db2.gz AWYGURVHSNLWHR-CABCVRRESA-N 2 1 373.501 3.357 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480326 497301829 /nfs/dbraw/zinc/30/18/29/497301829.db2.gz AGWAWJFMOIBQAP-QZTJIDSGSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480326 497301835 /nfs/dbraw/zinc/30/18/35/497301835.db2.gz AGWAWJFMOIBQAP-QZTJIDSGSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480326 497301839 /nfs/dbraw/zinc/30/18/39/497301839.db2.gz AGWAWJFMOIBQAP-QZTJIDSGSA-N 2 1 354.922 3.024 20 0 FGADMP [NH3+]C1(C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CCCCC1 ZINC000237943602 497318087 /nfs/dbraw/zinc/31/80/87/497318087.db2.gz VCYISJJWRWWBNE-MRXNPFEDSA-N 2 1 369.431 3.058 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000253191034 497324182 /nfs/dbraw/zinc/32/41/82/497324182.db2.gz UEIVISDIPPNGHN-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP c1nc(C2CC2)sc1C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000578276102 505902543 /nfs/dbraw/zinc/90/25/43/505902543.db2.gz NABOPUZDRRTWMD-SFHVURJKSA-N 2 1 357.523 3.401 20 0 FGADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607886 497380569 /nfs/dbraw/zinc/38/05/69/497380569.db2.gz FUZYLNJWLNMMBN-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCn3ccnc32)[C@@H]1c1cccs1 ZINC000245416618 497394314 /nfs/dbraw/zinc/39/43/14/497394314.db2.gz IPJXNIOSEKRZGD-HLLBOEOZSA-N 2 1 358.511 3.021 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245424030 497398673 /nfs/dbraw/zinc/39/86/73/497398673.db2.gz RPBWFGKBGFXEDE-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245424030 497398676 /nfs/dbraw/zinc/39/86/76/497398676.db2.gz RPBWFGKBGFXEDE-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285218 505904495 /nfs/dbraw/zinc/90/44/95/505904495.db2.gz ZNYURRZWQLKKTG-FCEUIQTBSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285218 505904497 /nfs/dbraw/zinc/90/44/97/505904497.db2.gz ZNYURRZWQLKKTG-FCEUIQTBSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285218 505904500 /nfs/dbraw/zinc/90/45/00/505904500.db2.gz ZNYURRZWQLKKTG-FCEUIQTBSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000578285218 505904503 /nfs/dbraw/zinc/90/45/03/505904503.db2.gz ZNYURRZWQLKKTG-FCEUIQTBSA-N 2 1 371.569 3.474 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N[C@H](C)c2ccccc2Cl)C1 ZINC000245440536 497408785 /nfs/dbraw/zinc/40/87/85/497408785.db2.gz UPSNTKIHMGUXGS-CVEARBPZSA-N 2 1 351.922 3.181 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457134 497417184 /nfs/dbraw/zinc/41/71/84/497417184.db2.gz UEDRPJOCORKLPS-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457134 497417190 /nfs/dbraw/zinc/41/71/90/497417190.db2.gz UEDRPJOCORKLPS-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457134 497417194 /nfs/dbraw/zinc/41/71/94/497417194.db2.gz UEDRPJOCORKLPS-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000245457134 497417200 /nfs/dbraw/zinc/41/72/00/497417200.db2.gz UEDRPJOCORKLPS-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000193610297 497426982 /nfs/dbraw/zinc/42/69/82/497426982.db2.gz BDOWGAMHJVBTQG-HDICACEKSA-N 2 1 365.477 3.301 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000193610297 497426984 /nfs/dbraw/zinc/42/69/84/497426984.db2.gz BDOWGAMHJVBTQG-HDICACEKSA-N 2 1 365.477 3.301 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Oc3ccccc3)C[C@@H]2C1 ZINC000193610297 497426989 /nfs/dbraw/zinc/42/69/89/497426989.db2.gz BDOWGAMHJVBTQG-HDICACEKSA-N 2 1 365.477 3.301 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261758320 497445654 /nfs/dbraw/zinc/44/56/54/497445654.db2.gz FQUKMYIFAUHTDG-UYAOXDASSA-N 2 1 357.542 3.064 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1 ZINC000261898573 497470841 /nfs/dbraw/zinc/47/08/41/497470841.db2.gz WIHFFCSPCXJMFC-UHFFFAOYSA-N 2 1 374.529 3.123 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccs1 ZINC000245623158 497478021 /nfs/dbraw/zinc/47/80/21/497478021.db2.gz FRBGWIITSOFYPC-LMMKCTJWSA-N 2 1 372.538 3.095 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000245675840 497496367 /nfs/dbraw/zinc/49/63/67/497496367.db2.gz IAJOBBVJASMDIO-DKUWSORSSA-N 2 1 363.505 3.331 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245675840 497496369 /nfs/dbraw/zinc/49/63/69/497496369.db2.gz IAJOBBVJASMDIO-DKUWSORSSA-N 2 1 363.505 3.331 20 0 FGADMP COCCC[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245681728 497499954 /nfs/dbraw/zinc/49/99/54/497499954.db2.gz JADJUNCHMAJPTJ-NUNAXRQHSA-N 2 1 371.569 3.273 20 0 FGADMP O=C(CC[N@@H+]1CCCC[C@H]1c1ccccc1C(F)(F)F)N1CC[NH2+]CC1 ZINC000262120712 497511708 /nfs/dbraw/zinc/51/17/08/497511708.db2.gz NIUZBCUDVBSPQL-KRWDZBQOSA-N 2 1 369.431 3.054 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000267313315 497524169 /nfs/dbraw/zinc/52/41/69/497524169.db2.gz CJTJLPGKZAUEFL-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000267313315 497524174 /nfs/dbraw/zinc/52/41/74/497524174.db2.gz CJTJLPGKZAUEFL-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000267313315 497524178 /nfs/dbraw/zinc/52/41/78/497524178.db2.gz CJTJLPGKZAUEFL-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000262219358 497526040 /nfs/dbraw/zinc/52/60/40/497526040.db2.gz ZNKVJGPEDPEMLN-PGRDOPGGSA-N 2 1 365.521 3.247 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1F ZINC000262302831 497536509 /nfs/dbraw/zinc/53/65/09/497536509.db2.gz OBZPQLYOPPPGMD-HLVUACMISA-N 2 1 370.472 3.090 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(CO)c1 ZINC000245836735 497547875 /nfs/dbraw/zinc/54/78/75/497547875.db2.gz CTCGVJCBLKYKLV-QZTJIDSGSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(CO)c1 ZINC000245836735 497547877 /nfs/dbraw/zinc/54/78/77/497547877.db2.gz CTCGVJCBLKYKLV-QZTJIDSGSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000262597441 497580133 /nfs/dbraw/zinc/58/01/33/497580133.db2.gz VRMCHCXFJAQNSI-DENIHFKCSA-N 2 1 365.521 3.275 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126893 505915603 /nfs/dbraw/zinc/91/56/03/505915603.db2.gz FICFYIWAAPHXKR-JRGCBEDISA-N 2 1 354.494 3.166 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262631502 497587080 /nfs/dbraw/zinc/58/70/80/497587080.db2.gz FLCPAVBBKZZZER-ZMWHVPEISA-N 2 1 355.526 3.076 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262646419 497591307 /nfs/dbraw/zinc/59/13/07/497591307.db2.gz OHKAUDZTXLFGCK-WLRLJWMZSA-N 2 1 355.526 3.030 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000572223217 505917684 /nfs/dbraw/zinc/91/76/84/505917684.db2.gz IOGBCBGPCPNKME-FPOVZHCZSA-N 2 1 374.573 3.273 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739050 497640916 /nfs/dbraw/zinc/64/09/16/497640916.db2.gz AAAGLIDITWXLNE-DYESRHJHSA-N 2 1 364.493 3.271 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739050 497640921 /nfs/dbraw/zinc/64/09/21/497640921.db2.gz AAAGLIDITWXLNE-DYESRHJHSA-N 2 1 364.493 3.271 20 0 FGADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000190948538 497656834 /nfs/dbraw/zinc/65/68/34/497656834.db2.gz YJGOLCWGDUKJMV-NRFANRHFSA-N 2 1 352.526 3.192 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194436213 497667018 /nfs/dbraw/zinc/66/70/18/497667018.db2.gz IHJHGEZGMZHOSH-HXUWFJFHSA-N 2 1 372.557 3.120 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N2c3ccccc3CC[C@H]2C)C1 ZINC000246232684 497669797 /nfs/dbraw/zinc/66/97/97/497669797.db2.gz QKSANHOUPMHWOI-QYZOEREBSA-N 2 1 357.542 3.407 20 0 FGADMP C[C@@H](C(=O)NCc1cccs1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246276065 497680821 /nfs/dbraw/zinc/68/08/21/497680821.db2.gz BONMTFYBCXSWGE-FGTMMUONSA-N 2 1 363.571 3.339 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c(OC)c1 ZINC000246349065 497703352 /nfs/dbraw/zinc/70/33/52/497703352.db2.gz HMBVFTYKUDHHOH-RYGJVYDSSA-N 2 1 362.514 3.122 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246346771 497703803 /nfs/dbraw/zinc/70/38/03/497703803.db2.gz FGQCDWAIPHPQOU-FXAWDEMLSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246346771 497703809 /nfs/dbraw/zinc/70/38/09/497703809.db2.gz FGQCDWAIPHPQOU-FXAWDEMLSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246346771 497703812 /nfs/dbraw/zinc/70/38/12/497703812.db2.gz FGQCDWAIPHPQOU-FXAWDEMLSA-N 2 1 360.546 3.010 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)n1 ZINC000276979259 497706167 /nfs/dbraw/zinc/70/61/67/497706167.db2.gz YZMJPLWHCCUQKN-CZUORRHYSA-N 2 1 359.495 3.169 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272704253 497708047 /nfs/dbraw/zinc/70/80/47/497708047.db2.gz ZVHVAFRUBWKGRW-GCJKJVERSA-N 2 1 365.521 3.437 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246411488 497725307 /nfs/dbraw/zinc/72/53/07/497725307.db2.gz FFRNQGNKPPUMRO-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246411488 497725311 /nfs/dbraw/zinc/72/53/11/497725311.db2.gz FFRNQGNKPPUMRO-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246411488 497725316 /nfs/dbraw/zinc/72/53/16/497725316.db2.gz FFRNQGNKPPUMRO-SESVDKBCSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)N(C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246414088 497725479 /nfs/dbraw/zinc/72/54/79/497725479.db2.gz BROPXZGVKKOKFT-RXVVDRJESA-N 2 1 355.526 3.377 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246438660 497734429 /nfs/dbraw/zinc/73/44/29/497734429.db2.gz NSGDMPJWBDHUGM-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246503580 497755990 /nfs/dbraw/zinc/75/59/90/497755990.db2.gz SSZNSNGFPHGYGN-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000246514653 497759398 /nfs/dbraw/zinc/75/93/98/497759398.db2.gz XEMWTYFLWUBNHA-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540653 497767561 /nfs/dbraw/zinc/76/75/61/497767561.db2.gz QDZDBYYKBYQCGA-PZJWPPBQSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000191281618 497767675 /nfs/dbraw/zinc/76/76/75/497767675.db2.gz LVFXYLGNVLIYBL-OALUTQOASA-N 2 1 368.525 3.194 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246581269 497781547 /nfs/dbraw/zinc/78/15/47/497781547.db2.gz UCMAJBYDBPSIPQ-SESVDKBCSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@H](NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246591861 497783425 /nfs/dbraw/zinc/78/34/25/497783425.db2.gz FVEWMESERVZEFP-WBAXXEDZSA-N 2 1 351.922 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000194827518 497783829 /nfs/dbraw/zinc/78/38/29/497783829.db2.gz DNYVORRISYTMCT-CQSZACIVSA-N 2 1 358.511 3.271 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846214 497815899 /nfs/dbraw/zinc/81/58/99/497815899.db2.gz BVWMKNFTBAUHQP-JJIJKTDDSA-N 2 1 351.535 3.235 20 0 FGADMP O=C1[C@H](N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000246925760 497820806 /nfs/dbraw/zinc/82/08/06/497820806.db2.gz SURWZHRVAZMTPL-RYGJVYDSSA-N 2 1 373.928 3.394 20 0 FGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506758 505956878 /nfs/dbraw/zinc/95/68/78/505956878.db2.gz XNRDGKCINGLHOT-UYAOXDASSA-N 2 1 357.542 3.326 20 0 FGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506758 505956880 /nfs/dbraw/zinc/95/68/80/505956880.db2.gz XNRDGKCINGLHOT-UYAOXDASSA-N 2 1 357.542 3.326 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301182813 497988427 /nfs/dbraw/zinc/98/84/27/497988427.db2.gz IPFZSRCMJPVBRJ-QGZVFWFLSA-N 2 1 358.917 3.495 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301182813 497988430 /nfs/dbraw/zinc/98/84/30/497988430.db2.gz IPFZSRCMJPVBRJ-QGZVFWFLSA-N 2 1 358.917 3.495 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]c(C(=O)OCc2ccccc2)c1 ZINC000296346762 498008072 /nfs/dbraw/zinc/00/80/72/498008072.db2.gz IRSQKWXZPZARGM-UHFFFAOYSA-N 2 1 352.438 3.057 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000285257375 498035199 /nfs/dbraw/zinc/03/51/99/498035199.db2.gz LXPHBBCHGFQCMJ-QGZVFWFLSA-N 2 1 354.498 3.451 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000289153439 498036946 /nfs/dbraw/zinc/03/69/46/498036946.db2.gz GLDRMTVNNIEUPV-FQEVSTJZSA-N 2 1 370.468 3.444 20 0 FGADMP [NH3+]C1(CNCc2cnc(C3CC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000569573034 505968308 /nfs/dbraw/zinc/96/83/08/505968308.db2.gz OXYJREKSIPURMK-UHFFFAOYSA-N 2 1 356.539 3.104 20 0 FGADMP CN(CC(=O)Nc1ccc(SC(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285370182 498064663 /nfs/dbraw/zinc/06/46/63/498064663.db2.gz CAFNEZZIIWNNDW-YIONKMFJSA-N 2 1 369.481 3.497 20 0 FGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000578592920 505974989 /nfs/dbraw/zinc/97/49/89/505974989.db2.gz QPAPVILRRDTPJC-MTNREXPMSA-N 2 1 359.558 3.050 20 0 FGADMP COCCOCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262384 498083089 /nfs/dbraw/zinc/08/30/89/498083089.db2.gz MUPIFWMUHCXNFB-UNMCSNQZSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262384 498083097 /nfs/dbraw/zinc/08/30/97/498083097.db2.gz MUPIFWMUHCXNFB-UNMCSNQZSA-N 2 1 358.526 3.298 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000569610545 505975912 /nfs/dbraw/zinc/97/59/12/505975912.db2.gz MHTPDHMRPMNSLN-KRWDZBQOSA-N 2 1 374.554 3.186 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262384 498083105 /nfs/dbraw/zinc/08/31/05/498083105.db2.gz MUPIFWMUHCXNFB-UNMCSNQZSA-N 2 1 358.526 3.298 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285495205 498106700 /nfs/dbraw/zinc/10/67/00/498106700.db2.gz MHXOVVPGXIYDAI-JIRNRHONSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285495205 498106707 /nfs/dbraw/zinc/10/67/07/498106707.db2.gz MHXOVVPGXIYDAI-JIRNRHONSA-N 2 1 354.494 3.137 20 0 FGADMP C[NH+](C[C@@H](O)COc1cccc2ccccc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285495205 498106712 /nfs/dbraw/zinc/10/67/12/498106712.db2.gz MHXOVVPGXIYDAI-JIRNRHONSA-N 2 1 354.494 3.137 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419209 505984440 /nfs/dbraw/zinc/98/44/40/505984440.db2.gz NTGHGVPRCCNGSH-IDPBPBMLSA-N 2 1 372.557 3.182 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633190 505985631 /nfs/dbraw/zinc/98/56/31/505985631.db2.gz GBYQOEROLRMUSX-UNMCSNQZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578633190 505985634 /nfs/dbraw/zinc/98/56/34/505985634.db2.gz GBYQOEROLRMUSX-UNMCSNQZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000578633190 505985637 /nfs/dbraw/zinc/98/56/37/505985637.db2.gz GBYQOEROLRMUSX-UNMCSNQZSA-N 2 1 372.557 3.071 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)cc3Cl)CC2)CC1 ZINC000572522535 505988718 /nfs/dbraw/zinc/98/87/18/505988718.db2.gz KXIAQHFUGYGNFN-UHFFFAOYSA-N 2 1 356.341 3.453 20 0 FGADMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1Oc1cccnc1 ZINC000289521650 498178759 /nfs/dbraw/zinc/17/87/59/498178759.db2.gz VKCHJCLLGBJTMJ-UHFFFAOYSA-N 2 1 368.525 3.252 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000569693488 505995353 /nfs/dbraw/zinc/99/53/53/505995353.db2.gz OILITPWIXBYUKD-LSDHHAIUSA-N 2 1 372.465 3.050 20 0 FGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000281753482 498257792 /nfs/dbraw/zinc/25/77/92/498257792.db2.gz WAEKZFKSHXMFAI-WIYYLYMNSA-N 2 1 370.468 3.178 20 0 FGADMP FC(F)Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000293097784 498268016 /nfs/dbraw/zinc/26/80/16/498268016.db2.gz WFSYFRYVXZZKPS-CQSZACIVSA-N 2 1 354.470 3.212 20 0 FGADMP FC(F)Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000293097784 498268021 /nfs/dbraw/zinc/26/80/21/498268021.db2.gz WFSYFRYVXZZKPS-CQSZACIVSA-N 2 1 354.470 3.212 20 0 FGADMP C(C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)C[NH+]1CCCCC1 ZINC000365182293 498339207 /nfs/dbraw/zinc/33/92/07/498339207.db2.gz YJNDPPGVLPVLDT-WIYYLYMNSA-N 2 1 358.530 3.252 20 0 FGADMP C(C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)C[NH+]1CCCCC1 ZINC000365182293 498339216 /nfs/dbraw/zinc/33/92/16/498339216.db2.gz YJNDPPGVLPVLDT-WIYYLYMNSA-N 2 1 358.530 3.252 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000575874102 506023065 /nfs/dbraw/zinc/02/30/65/506023065.db2.gz OXFUYYWBPXXMPZ-IRXDYDNUSA-N 2 1 364.530 3.034 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000575874102 506023069 /nfs/dbraw/zinc/02/30/69/506023069.db2.gz OXFUYYWBPXXMPZ-IRXDYDNUSA-N 2 1 364.530 3.034 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC1 ZINC000289964935 498373210 /nfs/dbraw/zinc/37/32/10/498373210.db2.gz VPBXUCPCWJSLBC-UHFFFAOYSA-N 2 1 354.376 3.025 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000297253544 498377916 /nfs/dbraw/zinc/37/79/16/498377916.db2.gz VNEDOEZLEDJDBC-PMACEKPBSA-N 2 1 357.542 3.140 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000289984599 498381662 /nfs/dbraw/zinc/38/16/62/498381662.db2.gz YATSNUPKWJSSTL-ILWGZMRPSA-N 2 1 369.553 3.134 20 0 FGADMP Cc1[nH+]c2ccccc2c(NC[C@]2([NH+]3CCOCC3)CCSC2)c1C ZINC000302068220 498394486 /nfs/dbraw/zinc/39/44/86/498394486.db2.gz FWELCOZWMDDURR-HXUWFJFHSA-N 2 1 357.523 3.471 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000290167739 498450619 /nfs/dbraw/zinc/45/06/19/498450619.db2.gz DOUOTYUVPOQSCB-INIZCTEOSA-N 2 1 374.504 3.468 20 0 FGADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000302440728 498485436 /nfs/dbraw/zinc/48/54/36/498485436.db2.gz NBOBCILTPWDUGA-JOCHJYFZSA-N 2 1 365.452 3.447 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000575961833 506043271 /nfs/dbraw/zinc/04/32/71/506043271.db2.gz MTWRWZFYSAVBNP-FQEVSTJZSA-N 2 1 359.558 3.059 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000575961833 506043274 /nfs/dbraw/zinc/04/32/74/506043274.db2.gz MTWRWZFYSAVBNP-FQEVSTJZSA-N 2 1 359.558 3.059 20 0 FGADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000578888600 506045682 /nfs/dbraw/zinc/04/56/82/506045682.db2.gz GSJNVDJRQUGDKY-RTBURBONSA-N 2 1 366.546 3.123 20 0 FGADMP COCCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000282473362 498525300 /nfs/dbraw/zinc/52/53/00/498525300.db2.gz WLXMWZQAJXOMHX-PMACEKPBSA-N 2 1 352.494 3.120 20 0 FGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282482399 498529955 /nfs/dbraw/zinc/52/99/55/498529955.db2.gz WXQXDOXALVWMPG-CVEARBPZSA-N 2 1 360.571 3.404 20 0 FGADMP C(CC[N@H+]1CC[C@H](C2CCOCC2)C1)C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000362774563 498550994 /nfs/dbraw/zinc/55/09/94/498550994.db2.gz LMFHPMPXRUFXOB-VXKWHMMOSA-N 2 1 364.574 3.264 20 0 FGADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037205 506060807 /nfs/dbraw/zinc/06/08/07/506060807.db2.gz RTKSIDQTRBGNFQ-MJGOQNOKSA-N 2 1 363.933 3.282 20 0 FGADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037205 506060808 /nfs/dbraw/zinc/06/08/08/506060808.db2.gz RTKSIDQTRBGNFQ-MJGOQNOKSA-N 2 1 363.933 3.282 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000572824152 506061284 /nfs/dbraw/zinc/06/12/84/506061284.db2.gz FTDXNWZDWCWJIW-GOSISDBHSA-N 2 1 372.557 3.250 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@H](O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000363044451 498620145 /nfs/dbraw/zinc/62/01/45/498620145.db2.gz QUWYOXRQSAKDTP-IBGZPJMESA-N 2 1 374.916 3.381 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000363044451 498620153 /nfs/dbraw/zinc/62/01/53/498620153.db2.gz QUWYOXRQSAKDTP-IBGZPJMESA-N 2 1 374.916 3.381 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064438 498645934 /nfs/dbraw/zinc/64/59/34/498645934.db2.gz YKNSLHFGPCKUPE-PZJWPPBQSA-N 2 1 357.542 3.137 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000365884713 498687741 /nfs/dbraw/zinc/68/77/41/498687741.db2.gz OALWKABPRFBEIG-ZDUSSCGKSA-N 2 1 352.404 3.479 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000365884713 498687746 /nfs/dbraw/zinc/68/77/46/498687746.db2.gz OALWKABPRFBEIG-ZDUSSCGKSA-N 2 1 352.404 3.479 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000579011838 506074436 /nfs/dbraw/zinc/07/44/36/506074436.db2.gz LMZQAXQYYVJKQL-QRVBRYPASA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000579011838 506074440 /nfs/dbraw/zinc/07/44/40/506074440.db2.gz LMZQAXQYYVJKQL-QRVBRYPASA-N 2 1 353.514 3.141 20 0 FGADMP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1nc(Cc2ccccc2)no1 ZINC000298204508 498693087 /nfs/dbraw/zinc/69/30/87/498693087.db2.gz YIDZRJHOSXPNKO-MRXNPFEDSA-N 2 1 363.465 3.375 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccccc1 ZINC000365911219 498696152 /nfs/dbraw/zinc/69/61/52/498696152.db2.gz GBEPJNIZONRGEN-UHFFFAOYSA-N 2 1 358.530 3.347 20 0 FGADMP CCN(CC)C(=O)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291089019 498790425 /nfs/dbraw/zinc/79/04/25/498790425.db2.gz OZKAXNROQJKWBC-UHFFFAOYSA-N 2 1 363.521 3.071 20 0 FGADMP CCCCn1c(SCCc2c[nH+]cn2C)nnc1[C@H](CC)N(C)C ZINC000298522920 498801284 /nfs/dbraw/zinc/80/12/84/498801284.db2.gz WTGUVJZEEPWSAT-HNNXBMFYSA-N 2 1 350.536 3.159 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C(F)F)c3)CC2)CC1 ZINC000366185397 498813091 /nfs/dbraw/zinc/81/30/91/498813091.db2.gz RQJOSWKZIWDDOE-UHFFFAOYSA-N 2 1 365.468 3.000 20 0 FGADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000581937832 506094549 /nfs/dbraw/zinc/09/45/49/506094549.db2.gz VEJXNWMGMLRAOG-BHIYHBOVSA-N 2 1 371.456 3.260 20 0 FGADMP CO[C@@H](CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221820 498821960 /nfs/dbraw/zinc/82/19/60/498821960.db2.gz SUOUCBHHSVEHSU-PMACEKPBSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221820 498821965 /nfs/dbraw/zinc/82/19/65/498821965.db2.gz SUOUCBHHSVEHSU-PMACEKPBSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221820 498821968 /nfs/dbraw/zinc/82/19/68/498821968.db2.gz SUOUCBHHSVEHSU-PMACEKPBSA-N 2 1 365.949 3.129 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000579137785 506102364 /nfs/dbraw/zinc/10/23/64/506102364.db2.gz IUCOPPRVXDWQQE-HNNXBMFYSA-N 2 1 350.260 3.229 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000332989509 498860728 /nfs/dbraw/zinc/86/07/28/498860728.db2.gz FSRVTNYMJACFRM-KXWSQRDISA-N 2 1 372.557 3.401 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C1)CCCC2 ZINC000332989509 498860731 /nfs/dbraw/zinc/86/07/31/498860731.db2.gz FSRVTNYMJACFRM-KXWSQRDISA-N 2 1 372.557 3.401 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000332994691 498862138 /nfs/dbraw/zinc/86/21/38/498862138.db2.gz MNNNHYALYCHPAG-RWQQGDIJSA-N 2 1 372.557 3.401 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C1)CCCC2 ZINC000332994691 498862141 /nfs/dbraw/zinc/86/21/41/498862141.db2.gz MNNNHYALYCHPAG-RWQQGDIJSA-N 2 1 372.557 3.401 20 0 FGADMP CCc1ccc([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)cc1 ZINC000366295970 498863940 /nfs/dbraw/zinc/86/39/40/498863940.db2.gz PACSBWUDKANCBH-QGZVFWFLSA-N 2 1 369.557 3.284 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576225603 506107311 /nfs/dbraw/zinc/10/73/11/506107311.db2.gz XZNYWRGEJJYJRT-LEWJYISDSA-N 2 1 357.542 3.380 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000295233553 498951404 /nfs/dbraw/zinc/95/14/04/498951404.db2.gz DDIFBECQFPVCGF-WMZOPIPTSA-N 2 1 357.498 3.104 20 0 FGADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000283671218 498952139 /nfs/dbraw/zinc/95/21/39/498952139.db2.gz VHZRNXVRGMWEAN-IBGZPJMESA-N 2 1 355.526 3.099 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000573117012 506122973 /nfs/dbraw/zinc/12/29/73/506122973.db2.gz BHCQJMLIZJMOID-ZDUSSCGKSA-N 2 1 372.340 3.462 20 0 FGADMP COc1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc(OC)c1O ZINC000299249840 499006754 /nfs/dbraw/zinc/00/67/54/499006754.db2.gz YBGXOWOPIKLGOV-UHFFFAOYSA-N 2 1 371.412 3.332 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000363827744 499014948 /nfs/dbraw/zinc/01/49/48/499014948.db2.gz MFVJAKRBWMHECQ-SNHGZMDHSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000363827744 499014954 /nfs/dbraw/zinc/01/49/54/499014954.db2.gz MFVJAKRBWMHECQ-SNHGZMDHSA-N 2 1 359.514 3.185 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC34CCCCC4)CC2)CC1 ZINC000363840299 499021930 /nfs/dbraw/zinc/02/19/30/499021930.db2.gz CGIAMYWGQVQUEP-FQEVSTJZSA-N 2 1 361.574 3.269 20 0 FGADMP Cc1ccc2[nH]c([C@@H]3CCC[N@@H+]3CCCN3CC[NH+](C(C)C)CC3)nc2c1 ZINC000295684338 499080154 /nfs/dbraw/zinc/08/01/54/499080154.db2.gz CQOZXKVCERIVBQ-NRFANRHFSA-N 2 1 369.557 3.424 20 0 FGADMP Cc1ccc2nc([C@@H]3CCC[N@H+]3CCCN3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000295684338 499080157 /nfs/dbraw/zinc/08/01/57/499080157.db2.gz CQOZXKVCERIVBQ-NRFANRHFSA-N 2 1 369.557 3.424 20 0 FGADMP Cc1ccc2nc([C@@H]3CCC[N@@H+]3CCCN3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000295684338 499080160 /nfs/dbraw/zinc/08/01/60/499080160.db2.gz CQOZXKVCERIVBQ-NRFANRHFSA-N 2 1 369.557 3.424 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000284353190 499094032 /nfs/dbraw/zinc/09/40/32/499094032.db2.gz YTCIDWGUUGEBCM-MAHYXTOZSA-N 2 1 362.558 3.177 20 0 FGADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1 ZINC000284483121 499114693 /nfs/dbraw/zinc/11/46/93/499114693.db2.gz WMQZPTXUFRVRRY-HNNXBMFYSA-N 2 1 372.465 3.390 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000369860153 499140604 /nfs/dbraw/zinc/14/06/04/499140604.db2.gz PKZRQXQNQRDLFK-SFHVURJKSA-N 2 1 361.534 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000369860153 499140606 /nfs/dbraw/zinc/14/06/06/499140606.db2.gz PKZRQXQNQRDLFK-SFHVURJKSA-N 2 1 361.534 3.068 20 0 FGADMP CC(C)c1ccoc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367064742 499142474 /nfs/dbraw/zinc/14/24/74/499142474.db2.gz CSMYPSIPHJGBBQ-UHFFFAOYSA-N 2 1 361.530 3.329 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(F)cc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000372574844 499147828 /nfs/dbraw/zinc/14/78/28/499147828.db2.gz PJLREZYPWUUEPM-UNMCSNQZSA-N 2 1 370.516 3.277 20 0 FGADMP CN(CC[NH+](C)Cc1ccc(F)cc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372574844 499147831 /nfs/dbraw/zinc/14/78/31/499147831.db2.gz PJLREZYPWUUEPM-UNMCSNQZSA-N 2 1 370.516 3.277 20 0 FGADMP CN(CC[NH+](C)Cc1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372574844 499147834 /nfs/dbraw/zinc/14/78/34/499147834.db2.gz PJLREZYPWUUEPM-UNMCSNQZSA-N 2 1 370.516 3.277 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309535 499178264 /nfs/dbraw/zinc/17/82/64/499178264.db2.gz JMQJXNQTYUJAGD-RDTXWAMCSA-N 2 1 350.453 3.195 20 0 FGADMP c1nc2n(c1C[NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000367437859 499199013 /nfs/dbraw/zinc/19/90/13/499199013.db2.gz KADOQXTXINLRQF-SESVDKBCSA-N 2 1 350.510 3.220 20 0 FGADMP CCN1CCC([N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287515 499205904 /nfs/dbraw/zinc/20/59/04/499205904.db2.gz HFPQNUYTWWHRGT-SFHVURJKSA-N 2 1 355.526 3.097 20 0 FGADMP CC[NH+]1CCC([N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287515 499205905 /nfs/dbraw/zinc/20/59/05/499205905.db2.gz HFPQNUYTWWHRGT-SFHVURJKSA-N 2 1 355.526 3.097 20 0 FGADMP CC[NH+]1CCC([N@@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287515 499205906 /nfs/dbraw/zinc/20/59/06/499205906.db2.gz HFPQNUYTWWHRGT-SFHVURJKSA-N 2 1 355.526 3.097 20 0 FGADMP CCN1CCC([N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287514 499206084 /nfs/dbraw/zinc/20/60/84/499206084.db2.gz HFPQNUYTWWHRGT-GOSISDBHSA-N 2 1 355.526 3.097 20 0 FGADMP CC[NH+]1CCC([N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287514 499206086 /nfs/dbraw/zinc/20/60/86/499206086.db2.gz HFPQNUYTWWHRGT-GOSISDBHSA-N 2 1 355.526 3.097 20 0 FGADMP CC[NH+]1CCC([N@@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C2CC2)CC1 ZINC000370287514 499206088 /nfs/dbraw/zinc/20/60/88/499206088.db2.gz HFPQNUYTWWHRGT-GOSISDBHSA-N 2 1 355.526 3.097 20 0 FGADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000367592828 499215990 /nfs/dbraw/zinc/21/59/90/499215990.db2.gz GWDGOQHNUYKWSF-TZIWHRDSSA-N 2 1 370.541 3.273 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC34CCOCC4)CC2)oc1C ZINC000370527188 499228981 /nfs/dbraw/zinc/22/89/81/499228981.db2.gz HWIMBUVQVMUSHK-IBGZPJMESA-N 2 1 361.530 3.442 20 0 FGADMP Cc1nnc(N2CCC([NH2+][C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000367832126 499236908 /nfs/dbraw/zinc/23/69/08/499236908.db2.gz PFHHLFYCZYNQFA-GDBMZVCRSA-N 2 1 363.575 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000370671806 499242651 /nfs/dbraw/zinc/24/26/51/499242651.db2.gz YMCVWXIPUQTMEJ-IVAOSVALSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000370671806 499242652 /nfs/dbraw/zinc/24/26/52/499242652.db2.gz YMCVWXIPUQTMEJ-IVAOSVALSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000370671806 499242654 /nfs/dbraw/zinc/24/26/54/499242654.db2.gz YMCVWXIPUQTMEJ-IVAOSVALSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000370671806 499242656 /nfs/dbraw/zinc/24/26/56/499242656.db2.gz YMCVWXIPUQTMEJ-IVAOSVALSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000370671806 499242657 /nfs/dbraw/zinc/24/26/57/499242657.db2.gz YMCVWXIPUQTMEJ-IVAOSVALSA-N 2 1 351.579 3.120 20 0 FGADMP CC(C)N1CCc2nc(C[N@@H+]3CCCCC[C@H]3C[C@@H](C)O)sc2C1 ZINC000368037980 499258241 /nfs/dbraw/zinc/25/82/41/499258241.db2.gz OCVCTRCUIPFBEM-CVEARBPZSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC[C@H]3C[C@@H](C)O)sc2C1 ZINC000368037980 499258243 /nfs/dbraw/zinc/25/82/43/499258243.db2.gz OCVCTRCUIPFBEM-CVEARBPZSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC[C@H]3C[C@@H](C)O)sc2C1 ZINC000368037980 499258246 /nfs/dbraw/zinc/25/82/46/499258246.db2.gz OCVCTRCUIPFBEM-CVEARBPZSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC[C@H]3C[C@@H](C)O)sc2C1 ZINC000368037980 499258248 /nfs/dbraw/zinc/25/82/48/499258248.db2.gz OCVCTRCUIPFBEM-CVEARBPZSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247492 499277873 /nfs/dbraw/zinc/27/78/73/499277873.db2.gz ZXYQSBKGIRVFAE-MBDNFAEBSA-N 2 1 365.606 3.054 20 0 FGADMP CC1CCC(=CC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000371092612 499287921 /nfs/dbraw/zinc/28/79/21/499287921.db2.gz GCCXWXVWYLZDKO-UHFFFAOYSA-N 2 1 361.574 3.435 20 0 FGADMP CC(C)CN(C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000371096128 499288059 /nfs/dbraw/zinc/28/80/59/499288059.db2.gz ZLFOJYRXTRPFGR-UHFFFAOYSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1C ZINC000368416332 499293581 /nfs/dbraw/zinc/29/35/81/499293581.db2.gz JKLVGPLZQXDQQZ-IJXRJRJASA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1C ZINC000368416332 499293582 /nfs/dbraw/zinc/29/35/82/499293582.db2.gz JKLVGPLZQXDQQZ-IJXRJRJASA-N 2 1 373.541 3.109 20 0 FGADMP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371270570 499304622 /nfs/dbraw/zinc/30/46/22/499304622.db2.gz GAPDDYBFGDUASW-RTWAWAEBSA-N 2 1 355.526 3.032 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316552 499309429 /nfs/dbraw/zinc/30/94/29/499309429.db2.gz GMJXQVUDOOEPIT-MFWIUYSUSA-N 2 1 350.478 3.374 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316552 499309430 /nfs/dbraw/zinc/30/94/30/499309430.db2.gz GMJXQVUDOOEPIT-MFWIUYSUSA-N 2 1 350.478 3.374 20 0 FGADMP Cc1csc(=O)n1CC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000368851563 499339723 /nfs/dbraw/zinc/33/97/23/499339723.db2.gz RESYDYDLSQEAAM-UHFFFAOYSA-N 2 1 351.560 3.193 20 0 FGADMP Cc1csc(=O)n1CC[N@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000368851563 499339725 /nfs/dbraw/zinc/33/97/25/499339725.db2.gz RESYDYDLSQEAAM-UHFFFAOYSA-N 2 1 351.560 3.193 20 0 FGADMP Cc1ncc(CN2CC[C@@H]([NH2+]CCCCn3cc[nH+]c3C)[C@@H](C)C2)s1 ZINC000368949911 499349491 /nfs/dbraw/zinc/34/94/91/499349491.db2.gz KKPHLALHUMXUBA-HNAYVOBHSA-N 2 1 361.559 3.237 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]1c1ccccc1 ZINC000371927501 499380629 /nfs/dbraw/zinc/38/06/29/499380629.db2.gz PYISKMXZWJQZAQ-IFMALSPDSA-N 2 1 350.510 3.464 20 0 FGADMP C[N@H+](Cc1csc(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368913 499425593 /nfs/dbraw/zinc/42/55/93/499425593.db2.gz LIOWUWXCLDIGBP-OAHLLOKOSA-N 2 1 372.376 3.111 20 0 FGADMP C[N@@H+](Cc1csc(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368913 499425594 /nfs/dbraw/zinc/42/55/94/499425594.db2.gz LIOWUWXCLDIGBP-OAHLLOKOSA-N 2 1 372.376 3.111 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CC[NH+](C)CC1 ZINC000375217649 499496365 /nfs/dbraw/zinc/49/63/65/499496365.db2.gz ILNIFHZJYMFFKQ-KLAILNCOSA-N 2 1 361.496 3.455 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354458 499506099 /nfs/dbraw/zinc/50/60/99/499506099.db2.gz JVUHVVKOAIJRTD-MOPGFXCFSA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354458 499506100 /nfs/dbraw/zinc/50/61/00/499506100.db2.gz JVUHVVKOAIJRTD-MOPGFXCFSA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@@H]1CC12CCN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354458 499506102 /nfs/dbraw/zinc/50/61/02/499506102.db2.gz JVUHVVKOAIJRTD-MOPGFXCFSA-N 2 1 373.585 3.364 20 0 FGADMP Cn1cc(-c2cc(CNC[C@H]3CCC[N@@H+](C)[C@@H]3c3ccccc3)on2)cn1 ZINC000375450309 499520638 /nfs/dbraw/zinc/52/06/38/499520638.db2.gz XCCRYZCUUXCFNP-DYESRHJHSA-N 2 1 365.481 3.248 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CCC(=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000378517705 499526847 /nfs/dbraw/zinc/52/68/47/499526847.db2.gz KQIDJNWLVCIXHT-UHFFFAOYSA-N 2 1 352.482 3.267 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CCC(=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000378517705 499526849 /nfs/dbraw/zinc/52/68/49/499526849.db2.gz KQIDJNWLVCIXHT-UHFFFAOYSA-N 2 1 352.482 3.267 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000375694677 499546109 /nfs/dbraw/zinc/54/61/09/499546109.db2.gz YYLMSPAAHOMCFS-FQEVSTJZSA-N 2 1 370.541 3.313 20 0 FGADMP Clc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000386992391 499549655 /nfs/dbraw/zinc/54/96/55/499549655.db2.gz CNGAKBINZGGIGL-BETUJISGSA-N 2 1 373.722 3.413 20 0 FGADMP CN(C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375779409 499554905 /nfs/dbraw/zinc/55/49/05/499554905.db2.gz LYCIKPAGAYLPDE-YSSFQJQWSA-N 2 1 361.436 3.018 20 0 FGADMP CN(C[C@H](O)c1ccc(F)cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375779409 499554907 /nfs/dbraw/zinc/55/49/07/499554907.db2.gz LYCIKPAGAYLPDE-YSSFQJQWSA-N 2 1 361.436 3.018 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000398005780 499565763 /nfs/dbraw/zinc/56/57/63/499565763.db2.gz QFCUZXPTFDEJTG-STZQEDGTSA-N 2 1 365.521 3.493 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062415 499566390 /nfs/dbraw/zinc/56/63/90/499566390.db2.gz MUBRXCRTUPZJKK-AZUAARDMSA-N 2 1 357.542 3.313 20 0 FGADMP COc1cccc(-c2noc(CN[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000376305818 499599075 /nfs/dbraw/zinc/59/90/75/499599075.db2.gz KHSTVKCNQCXRKY-RDJZCZTQSA-N 2 1 370.497 3.488 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000409648539 499611933 /nfs/dbraw/zinc/61/19/33/499611933.db2.gz SPDDNHDUPDJFSW-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP Cc1nc2ccccc2n1CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376814359 499636821 /nfs/dbraw/zinc/63/68/21/499636821.db2.gz MVHMZHSHUMVBTG-JWTNVVGKSA-N 2 1 369.513 3.001 20 0 FGADMP Cn1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377617355 499710844 /nfs/dbraw/zinc/71/08/44/499710844.db2.gz ANDPCSJCPOPIER-NRFANRHFSA-N 2 1 373.589 3.068 20 0 FGADMP Cn1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377617355 499710846 /nfs/dbraw/zinc/71/08/46/499710846.db2.gz ANDPCSJCPOPIER-NRFANRHFSA-N 2 1 373.589 3.068 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000377713552 499724063 /nfs/dbraw/zinc/72/40/63/499724063.db2.gz YSPKJSFQXZZSMM-HXUWFJFHSA-N 2 1 366.509 3.056 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000377713552 499724064 /nfs/dbraw/zinc/72/40/64/499724064.db2.gz YSPKJSFQXZZSMM-HXUWFJFHSA-N 2 1 366.509 3.056 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@@H]1c1ccccc1 ZINC000377764141 499730490 /nfs/dbraw/zinc/73/04/90/499730490.db2.gz SNQDWYSMPSIJRT-GMAHTHKFSA-N 2 1 365.521 3.306 20 0 FGADMP C[N@H+](CCc1cncs1)[C@H]1CCC[NH+](CCc2cncs2)CC1 ZINC000411398384 499734378 /nfs/dbraw/zinc/73/43/78/499734378.db2.gz BPHNIEFRXYWLIJ-HNNXBMFYSA-N 2 1 350.557 3.171 20 0 FGADMP C[N@@H+](CCc1cncs1)[C@H]1CCC[NH+](CCc2cncs2)CC1 ZINC000411398384 499734379 /nfs/dbraw/zinc/73/43/79/499734379.db2.gz BPHNIEFRXYWLIJ-HNNXBMFYSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cncs1)[C@H]1CCC[N@H+](CCc2cncs2)CC1 ZINC000411398384 499734381 /nfs/dbraw/zinc/73/43/81/499734381.db2.gz BPHNIEFRXYWLIJ-HNNXBMFYSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cncs1)[C@H]1CCC[N@@H+](CCc2cncs2)CC1 ZINC000411398384 499734382 /nfs/dbraw/zinc/73/43/82/499734382.db2.gz BPHNIEFRXYWLIJ-HNNXBMFYSA-N 2 1 350.557 3.171 20 0 FGADMP c1cc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)ccn1 ZINC000411414206 499736867 /nfs/dbraw/zinc/73/68/67/499736867.db2.gz HZCOKGFUELLNSK-UHFFFAOYSA-N 2 1 364.537 3.385 20 0 FGADMP O=C1[C@@H](N2CCC(CCCn3ccnc3)CC2)CCN1c1ccc(F)cc1 ZINC000411507148 499748887 /nfs/dbraw/zinc/74/88/87/499748887.db2.gz REYVWEMHRXQDCI-FQEVSTJZSA-N 2 1 370.472 3.320 20 0 FGADMP c1cc(C[N@@H+]2CCO[C@H](COCC3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411560048 499763138 /nfs/dbraw/zinc/76/31/38/499763138.db2.gz JIIYQRFBNUBXIE-QFIPXVFZSA-N 2 1 358.526 3.300 20 0 FGADMP c1cc(C[N@H+]2CCO[C@H](COCC3CC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411560048 499763139 /nfs/dbraw/zinc/76/31/39/499763139.db2.gz JIIYQRFBNUBXIE-QFIPXVFZSA-N 2 1 358.526 3.300 20 0 FGADMP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561804 499763253 /nfs/dbraw/zinc/76/32/53/499763253.db2.gz RNAQQPVIHMLLDL-LEWJYISDSA-N 2 1 374.525 3.215 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414264191 499772677 /nfs/dbraw/zinc/77/26/77/499772677.db2.gz KMQQPHRGBXGELX-CIAFKFPVSA-N 2 1 360.542 3.317 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000414264191 499772679 /nfs/dbraw/zinc/77/26/79/499772679.db2.gz KMQQPHRGBXGELX-CIAFKFPVSA-N 2 1 360.542 3.317 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)c1ccc(F)cc1 ZINC000414313331 499776759 /nfs/dbraw/zinc/77/67/59/499776759.db2.gz OSXOQWPOIIIYTA-NQSCKRDGSA-N 2 1 356.485 3.402 20 0 FGADMP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779481 499789954 /nfs/dbraw/zinc/78/99/54/499789954.db2.gz CVSNTKMZHRGPHT-BHDDXSALSA-N 2 1 358.526 3.034 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695840 499820914 /nfs/dbraw/zinc/82/09/14/499820914.db2.gz FPFFZUIVQHEECG-HXUWFJFHSA-N 2 1 369.484 3.025 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737967 499825208 /nfs/dbraw/zinc/82/52/08/499825208.db2.gz OREXHOWDKIAFLB-KBPBESRZSA-N 2 1 368.319 3.016 20 0 FGADMP COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414759139 499827515 /nfs/dbraw/zinc/82/75/15/499827515.db2.gz NWPXCTAPSHPDRS-HIFRSBDPSA-N 2 1 358.404 3.069 20 0 FGADMP COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414759139 499827516 /nfs/dbraw/zinc/82/75/16/499827516.db2.gz NWPXCTAPSHPDRS-HIFRSBDPSA-N 2 1 358.404 3.069 20 0 FGADMP CCCCOc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1OC ZINC000414785410 499831032 /nfs/dbraw/zinc/83/10/32/499831032.db2.gz JRKAJEFJXUIZHV-SFHVURJKSA-N 2 1 362.514 3.061 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832826 499835733 /nfs/dbraw/zinc/83/57/33/499835733.db2.gz DYGQKNHKFHYXNG-UZLBHIALSA-N 2 1 371.525 3.339 20 0 FGADMP C[C@@H]1C[C@H](NCCC[NH2+]Cc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000414882916 499840983 /nfs/dbraw/zinc/84/09/83/499840983.db2.gz SNTZURXPEWJGKC-DENIHFKCSA-N 2 1 352.526 3.204 20 0 FGADMP O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000412304284 499842849 /nfs/dbraw/zinc/84/28/49/499842849.db2.gz ABLFUWUUWYSWLU-UHFFFAOYSA-N 2 1 364.493 3.195 20 0 FGADMP COC[C@@]1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCC[NH2+]1 ZINC000414952855 499848378 /nfs/dbraw/zinc/84/83/78/499848378.db2.gz ISKYRPCBDPAYTE-NRFANRHFSA-N 2 1 360.448 3.455 20 0 FGADMP C(=C\c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037898 499856787 /nfs/dbraw/zinc/85/67/87/499856787.db2.gz LMKHWNZFKMZEOH-LJEORUCFSA-N 2 1 352.478 3.247 20 0 FGADMP FC(F)Oc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000415051985 499858625 /nfs/dbraw/zinc/85/86/25/499858625.db2.gz KJJGSGBKBWEEFS-UHFFFAOYSA-N 2 1 373.875 3.247 20 0 FGADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415101322 499863576 /nfs/dbraw/zinc/86/35/76/499863576.db2.gz HRDWPSDWAVUPFQ-RXVVDRJESA-N 2 1 372.557 3.073 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415922062 499928889 /nfs/dbraw/zinc/92/88/89/499928889.db2.gz NGVOGBYXLAVUAC-FXAWDEMLSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000415924236 499928989 /nfs/dbraw/zinc/92/89/89/499928989.db2.gz RBFGOBLSSUNELS-UHFFFAOYSA-N 2 1 354.454 3.185 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+]1CCc2ccccc2C1 ZINC000415947123 499932137 /nfs/dbraw/zinc/93/21/37/499932137.db2.gz VYEKVRCVRDOGJM-UHFFFAOYSA-N 2 1 366.509 3.366 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000415960966 499933928 /nfs/dbraw/zinc/93/39/28/499933928.db2.gz QYFFHXQAVRFANX-KRWDZBQOSA-N 2 1 352.482 3.131 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984104 499937223 /nfs/dbraw/zinc/93/72/23/499937223.db2.gz OPUQBKZVZIPQPN-PXNSSMCTSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000416021076 499941679 /nfs/dbraw/zinc/94/16/79/499941679.db2.gz YJNALMGDNNOYNV-NRFANRHFSA-N 2 1 366.509 3.438 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573305654 506167061 /nfs/dbraw/zinc/16/70/61/506167061.db2.gz GTZBPKYWLWYFCV-QZTJIDSGSA-N 2 1 367.497 3.128 20 0 FGADMP C[NH+](C)[C@H](CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000416171839 499967148 /nfs/dbraw/zinc/96/71/48/499967148.db2.gz SKSFEDKTJFGITO-HXUWFJFHSA-N 2 1 357.473 3.067 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2CCC([NH3+])CC2)c1 ZINC000428964510 499970291 /nfs/dbraw/zinc/97/02/91/499970291.db2.gz GSDFJOWZVPZNHT-UHFFFAOYSA-N 2 1 351.494 3.318 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000429163666 500016856 /nfs/dbraw/zinc/01/68/56/500016856.db2.gz NUWZQUSLCUGGKS-RTWAWAEBSA-N 2 1 351.494 3.176 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)CC2)CC1 ZINC000421382510 500033640 /nfs/dbraw/zinc/03/36/40/500033640.db2.gz XVOXXRWLJNDADO-UHFFFAOYSA-N 2 1 371.569 3.392 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564624 500104615 /nfs/dbraw/zinc/10/46/15/500104615.db2.gz FNOHXQFKGIVHNO-LAUBAEHRSA-N 2 1 357.542 3.196 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(C)C ZINC000414101270 500153587 /nfs/dbraw/zinc/15/35/87/500153587.db2.gz BQSWKWACLHKKOX-XUVXKRRUSA-N 2 1 360.542 3.325 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104456 500154235 /nfs/dbraw/zinc/15/42/35/500154235.db2.gz FVXCVJRGMUYHKC-PXNSSMCTSA-N 2 1 354.494 3.421 20 0 FGADMP COc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C2CC2)c(F)c1 ZINC000421825640 500160504 /nfs/dbraw/zinc/16/05/04/500160504.db2.gz OOVWXUQBBKOAMI-NRFANRHFSA-N 2 1 363.521 3.149 20 0 FGADMP C[C@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000421827126 500160891 /nfs/dbraw/zinc/16/08/91/500160891.db2.gz WKZAMRQAHOKCBK-OAHLLOKOSA-N 2 1 355.929 3.273 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000416966133 500168117 /nfs/dbraw/zinc/16/81/17/500168117.db2.gz FADVJWZJWPCYRJ-JRGCBEDISA-N 2 1 372.557 3.235 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416969817 500169873 /nfs/dbraw/zinc/16/98/73/500169873.db2.gz CQXAEPLWHHWSSE-DUXKGJEZSA-N 2 1 372.557 3.378 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000416969671 500169945 /nfs/dbraw/zinc/16/99/45/500169945.db2.gz KXAHHIAZXASVOL-HXUWFJFHSA-N 2 1 354.498 3.026 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970205 500170240 /nfs/dbraw/zinc/17/02/40/500170240.db2.gz NCJZZPPMLKBUHY-RBUKOAKNSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C[C@@H]1C[NH3+] ZINC000416975497 500172674 /nfs/dbraw/zinc/17/26/74/500172674.db2.gz MVNXMUMIHQZPBB-OPYAIIAOSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H](CCNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000417811942 500177365 /nfs/dbraw/zinc/17/73/65/500177365.db2.gz KJTJWWKLHBMOFZ-MSOLQXFVSA-N 2 1 368.525 3.416 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000417879478 500190183 /nfs/dbraw/zinc/19/01/83/500190183.db2.gz PQEDXZRPCKQVJM-PXNSSMCTSA-N 2 1 360.546 3.187 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NCCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000417933067 500200067 /nfs/dbraw/zinc/20/00/67/500200067.db2.gz XEVCJBKWVUIJKC-HLAWJBBLSA-N 2 1 372.557 3.119 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430150923 500200660 /nfs/dbraw/zinc/20/06/60/500200660.db2.gz QVMHNYGCOZXNAK-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)o1 ZINC000430150923 500200662 /nfs/dbraw/zinc/20/06/62/500200662.db2.gz QVMHNYGCOZXNAK-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)o1 ZINC000430150923 500200663 /nfs/dbraw/zinc/20/06/63/500200663.db2.gz QVMHNYGCOZXNAK-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430150923 500200666 /nfs/dbraw/zinc/20/06/66/500200666.db2.gz QVMHNYGCOZXNAK-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894937 500209111 /nfs/dbraw/zinc/20/91/11/500209111.db2.gz HRKAFRDKQGITBB-UHFFFAOYSA-N 2 1 369.444 3.065 20 0 FGADMP C[C@H](NC(=O)N(CCC[NH3+])CC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417992488 500211093 /nfs/dbraw/zinc/21/10/93/500211093.db2.gz MQAJLQMTXYSWET-PKOBYXMFSA-N 2 1 364.578 3.190 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430245453 500214236 /nfs/dbraw/zinc/21/42/36/500214236.db2.gz PBGNINKBAJUGBF-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430245454 500214443 /nfs/dbraw/zinc/21/44/43/500214443.db2.gz PBGNINKBAJUGBF-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+](CCCOCc1ccccc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982845 500221062 /nfs/dbraw/zinc/22/10/62/500221062.db2.gz AHMXFGDVOWRNSJ-HSZRJFAPSA-N 2 1 368.521 3.162 20 0 FGADMP C[N@H+](CCCOCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982845 500221065 /nfs/dbraw/zinc/22/10/65/500221065.db2.gz AHMXFGDVOWRNSJ-HSZRJFAPSA-N 2 1 368.521 3.162 20 0 FGADMP C[N@@H+](CCCOCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982845 500221070 /nfs/dbraw/zinc/22/10/70/500221070.db2.gz AHMXFGDVOWRNSJ-HSZRJFAPSA-N 2 1 368.521 3.162 20 0 FGADMP C[NH+](CCCOCc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425982845 500221071 /nfs/dbraw/zinc/22/10/71/500221071.db2.gz AHMXFGDVOWRNSJ-HSZRJFAPSA-N 2 1 368.521 3.162 20 0 FGADMP C[NH+](CCCOCc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425982845 500221075 /nfs/dbraw/zinc/22/10/75/500221075.db2.gz AHMXFGDVOWRNSJ-HSZRJFAPSA-N 2 1 368.521 3.162 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000430400160 500235615 /nfs/dbraw/zinc/23/56/15/500235615.db2.gz MQSFSQNMJKFUAY-MQSCRBSSSA-N 2 1 369.553 3.231 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418150817 500237457 /nfs/dbraw/zinc/23/74/57/500237457.db2.gz DKDSQTBDGMDLHR-PMACEKPBSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185257 500244803 /nfs/dbraw/zinc/24/48/03/500244803.db2.gz QWTOEIQTTBQELV-QGPMSJSTSA-N 2 1 366.937 3.102 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430562724 500254642 /nfs/dbraw/zinc/25/46/42/500254642.db2.gz SFRRYAJVTZVVAK-QGZVFWFLSA-N 2 1 361.530 3.275 20 0 FGADMP Clc1ccc(-c2noc(CC[NH+]3CCC([NH2+]CC4CC4)CC3)n2)cc1 ZINC000430585341 500258743 /nfs/dbraw/zinc/25/87/43/500258743.db2.gz RWRDACNQJRVFNK-UHFFFAOYSA-N 2 1 360.889 3.397 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592881 500259613 /nfs/dbraw/zinc/25/96/13/500259613.db2.gz IMBLUYWQGWIGSH-DFEOGRTESA-N 2 1 353.510 3.465 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592881 500259614 /nfs/dbraw/zinc/25/96/14/500259614.db2.gz IMBLUYWQGWIGSH-DFEOGRTESA-N 2 1 353.510 3.465 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642365 500265170 /nfs/dbraw/zinc/26/51/70/500265170.db2.gz JZLWNKFYZZXLQQ-UWJYYQICSA-N 2 1 351.494 3.045 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418356047 500267545 /nfs/dbraw/zinc/26/75/45/500267545.db2.gz XLAWVEADUYSERN-UYAOXDASSA-N 2 1 364.578 3.062 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000418354369 500267723 /nfs/dbraw/zinc/26/77/23/500267723.db2.gz OJEXOULQWFLONP-VQTJNVASSA-N 2 1 360.546 3.326 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418441399 500277099 /nfs/dbraw/zinc/27/70/99/500277099.db2.gz RNKARQKFCGKMJM-UHFFFAOYSA-N 2 1 366.937 3.075 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418441399 500277103 /nfs/dbraw/zinc/27/71/03/500277103.db2.gz RNKARQKFCGKMJM-UHFFFAOYSA-N 2 1 366.937 3.075 20 0 FGADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000430767303 500282367 /nfs/dbraw/zinc/28/23/67/500282367.db2.gz VVAQJXBMRLRFKW-UXHICEINSA-N 2 1 361.505 3.158 20 0 FGADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000430767303 500282369 /nfs/dbraw/zinc/28/23/69/500282369.db2.gz VVAQJXBMRLRFKW-UXHICEINSA-N 2 1 361.505 3.158 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418525178 500287120 /nfs/dbraw/zinc/28/71/20/500287120.db2.gz XODPHFWVZBONKY-WIYYLYMNSA-N 2 1 364.578 3.062 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422746931 500293833 /nfs/dbraw/zinc/29/38/33/500293833.db2.gz XOBIJLYGILMIIZ-SJORKVTESA-N 2 1 350.526 3.136 20 0 FGADMP C[NH+](C)Cc1cccc(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422806105 500300735 /nfs/dbraw/zinc/30/07/35/500300735.db2.gz KAHDOAXSYKUGLS-UNMCSNQZSA-N 2 1 351.494 3.094 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000426663937 500303806 /nfs/dbraw/zinc/30/38/06/500303806.db2.gz OJTCCMIKNOWTRV-UNMCSNQZSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422843702 500304664 /nfs/dbraw/zinc/30/46/64/500304664.db2.gz JFTZXZZADUWEDD-NRSPTQNISA-N 2 1 357.542 3.121 20 0 FGADMP C[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H]1C[NH3+] ZINC000422850470 500305318 /nfs/dbraw/zinc/30/53/18/500305318.db2.gz NOYMSXSJWUAOEI-AYBZRNKSSA-N 2 1 358.530 3.079 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873645 500309146 /nfs/dbraw/zinc/30/91/46/500309146.db2.gz AVOWLUDHUZJMDP-TWWGPRNNSA-N 2 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873645 500309150 /nfs/dbraw/zinc/30/91/50/500309150.db2.gz AVOWLUDHUZJMDP-TWWGPRNNSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873645 500309155 /nfs/dbraw/zinc/30/91/55/500309155.db2.gz AVOWLUDHUZJMDP-TWWGPRNNSA-N 3 1 357.542 3.200 20 0 FGADMP CC(C)n1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000430935442 500309844 /nfs/dbraw/zinc/30/98/44/500309844.db2.gz TVXCQXAJCYWLHB-UHFFFAOYSA-N 2 1 361.578 3.092 20 0 FGADMP CC(C)n1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000430935442 500309848 /nfs/dbraw/zinc/30/98/48/500309848.db2.gz TVXCQXAJCYWLHB-UHFFFAOYSA-N 2 1 361.578 3.092 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422900384 500313220 /nfs/dbraw/zinc/31/32/20/500313220.db2.gz QGKUNDKBHGMTIX-WVFSVQOHSA-N 2 1 365.477 3.139 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908939 500315641 /nfs/dbraw/zinc/31/56/41/500315641.db2.gz DXZGFSJKPZGWCR-FGZHOGPDSA-N 3 1 351.494 3.396 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422934656 500318923 /nfs/dbraw/zinc/31/89/23/500318923.db2.gz CVWWIUJXTUFCBY-OAHLLOKOSA-N 2 1 361.493 3.374 20 0 FGADMP CCCCNC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422937295 500319790 /nfs/dbraw/zinc/31/97/90/500319790.db2.gz JJNCKJWCHJSDDD-DYESRHJHSA-N 2 1 353.510 3.265 20 0 FGADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422972708 500325166 /nfs/dbraw/zinc/32/51/66/500325166.db2.gz AJKKUPAEGNNXNE-MUGJNUQGSA-N 2 1 360.448 3.307 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991498 500328478 /nfs/dbraw/zinc/32/84/78/500328478.db2.gz BHHSZXCMQWEOLL-UZKOGDIHSA-N 2 1 357.542 3.342 20 0 FGADMP CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991498 500328481 /nfs/dbraw/zinc/32/84/81/500328481.db2.gz BHHSZXCMQWEOLL-UZKOGDIHSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431059783 500330098 /nfs/dbraw/zinc/33/00/98/500330098.db2.gz CGSDPGKQXMMONZ-KSZLIROESA-N 2 1 370.541 3.086 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431081952 500332949 /nfs/dbraw/zinc/33/29/49/500332949.db2.gz RVSBFQBCOJZBIO-GOSISDBHSA-N 2 1 351.560 3.416 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431081952 500332951 /nfs/dbraw/zinc/33/29/51/500332951.db2.gz RVSBFQBCOJZBIO-GOSISDBHSA-N 2 1 351.560 3.416 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423063277 500337422 /nfs/dbraw/zinc/33/74/22/500337422.db2.gz ONLOFOFCJRHQDQ-TZYHBYERSA-N 2 1 351.538 3.445 20 0 FGADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423169434 500350324 /nfs/dbraw/zinc/35/03/24/500350324.db2.gz JRYNAGMIHFRXMR-VHDGCEQUSA-N 2 1 373.722 3.349 20 0 FGADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423169270 500350352 /nfs/dbraw/zinc/35/03/52/500350352.db2.gz IUBKERBGFDFPMD-RCCFBDPRSA-N 2 1 370.946 3.144 20 0 FGADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423181392 500352800 /nfs/dbraw/zinc/35/28/00/500352800.db2.gz CKMASUHUENTHLN-DYESRHJHSA-N 2 1 357.473 3.458 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH2+]Cc2cccnc2)C3)cc1 ZINC000423182794 500352814 /nfs/dbraw/zinc/35/28/14/500352814.db2.gz FNCBLEJJEVCHTO-NUNAXRQHSA-N 2 1 364.537 3.347 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427124865 500356468 /nfs/dbraw/zinc/35/64/68/500356468.db2.gz WWJCFAKQMJCDSG-WIYYLYMNSA-N 2 1 365.477 3.131 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427124865 500356470 /nfs/dbraw/zinc/35/64/70/500356470.db2.gz WWJCFAKQMJCDSG-WIYYLYMNSA-N 2 1 365.477 3.131 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000423306574 500363309 /nfs/dbraw/zinc/36/33/09/500363309.db2.gz LVSSFPDSORFEIZ-IBGZPJMESA-N 2 1 359.901 3.135 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1ncc(Br)cc1F ZINC000423370303 500368475 /nfs/dbraw/zinc/36/84/75/500368475.db2.gz FPHCYGZPVYTHOV-JTQLQIEISA-N 2 1 350.235 3.437 20 0 FGADMP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436638 500374781 /nfs/dbraw/zinc/37/47/81/500374781.db2.gz SYIKNIVCYVIJBJ-HTAPYJJXSA-N 2 1 353.510 3.165 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272834 500376081 /nfs/dbraw/zinc/37/60/81/500376081.db2.gz DTHLEQCKZDGHGC-OAHLLOKOSA-N 2 1 363.468 3.032 20 0 FGADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272834 500376082 /nfs/dbraw/zinc/37/60/82/500376082.db2.gz DTHLEQCKZDGHGC-OAHLLOKOSA-N 2 1 363.468 3.032 20 0 FGADMP CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272834 500376083 /nfs/dbraw/zinc/37/60/83/500376083.db2.gz DTHLEQCKZDGHGC-OAHLLOKOSA-N 2 1 363.468 3.032 20 0 FGADMP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491634 500378700 /nfs/dbraw/zinc/37/87/00/500378700.db2.gz KBBGHYOUPGTIDC-XHDPSFHLSA-N 2 1 359.695 3.058 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423529216 500382764 /nfs/dbraw/zinc/38/27/64/500382764.db2.gz XIIZIRLVDIHOQC-SJORKVTESA-N 2 1 357.523 3.464 20 0 FGADMP CCc1cccnc1[C@@H](C)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423558046 500385004 /nfs/dbraw/zinc/38/50/04/500385004.db2.gz ITMQMNASPRQSLW-GOSISDBHSA-N 2 1 352.526 3.288 20 0 FGADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423707559 500395768 /nfs/dbraw/zinc/39/57/68/500395768.db2.gz SXAIYTSYAISJME-MSOLQXFVSA-N 2 1 358.530 3.142 20 0 FGADMP C[NH2+]CCCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423809106 500403644 /nfs/dbraw/zinc/40/36/44/500403644.db2.gz LTFHBYKGQBWHIH-UHFFFAOYSA-N 2 1 358.313 3.074 20 0 FGADMP CC[C@]1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC[NH2+]1 ZINC000423851956 500411837 /nfs/dbraw/zinc/41/18/37/500411837.db2.gz RFMCPONZQVMDHB-JOCHJYFZSA-N 2 1 355.526 3.033 20 0 FGADMP CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@H](C)[NH3+] ZINC000423856403 500413058 /nfs/dbraw/zinc/41/30/58/500413058.db2.gz WUWGJFAOIAUCDV-AZUAARDMSA-N 2 1 357.542 3.121 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423912575 500418254 /nfs/dbraw/zinc/41/82/54/500418254.db2.gz WERLGGJKKDGBDJ-PMXSJFBMSA-N 2 1 357.542 3.311 20 0 FGADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914460 500419126 /nfs/dbraw/zinc/41/91/26/500419126.db2.gz XXGGPQXHVAPLRY-PMACEKPBSA-N 2 1 355.526 3.161 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420305586 500438136 /nfs/dbraw/zinc/43/81/36/500438136.db2.gz POSAISVOTWXDHG-MRXNPFEDSA-N 2 1 355.448 3.213 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309833 500439116 /nfs/dbraw/zinc/43/91/16/500439116.db2.gz FIVXDVYLNHVTOB-STQMWFEESA-N 2 1 361.287 3.075 20 0 FGADMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326420 500441463 /nfs/dbraw/zinc/44/14/63/500441463.db2.gz JXCNZIWXSBAQIV-USXIJHARSA-N 2 1 356.470 3.128 20 0 FGADMP O=C(NCc1ccc(N2CCCC2)nc1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431907727 500442079 /nfs/dbraw/zinc/44/20/79/500442079.db2.gz SSIHNPPVPJYCAI-LJQANCHMSA-N 2 1 356.514 3.095 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CC12CCOCC2 ZINC000420332144 500442949 /nfs/dbraw/zinc/44/29/49/500442949.db2.gz RJXRQYHJCRQUMC-IBGZPJMESA-N 2 1 354.494 3.296 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC12CCOCC2 ZINC000420334303 500443546 /nfs/dbraw/zinc/44/35/46/500443546.db2.gz UDMLUNMRTDPLTO-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000420362400 500447984 /nfs/dbraw/zinc/44/79/84/500447984.db2.gz ODAMJFPZOOIBGN-KNQAVFIVSA-N 2 1 367.537 3.334 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000420372003 500449688 /nfs/dbraw/zinc/44/96/88/500449688.db2.gz XKVXPSLMEGPZCU-OAQYLSRUSA-N 2 1 371.569 3.144 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000420376740 500450277 /nfs/dbraw/zinc/45/02/77/500450277.db2.gz KERUDTBAIJNMFR-FXAWDEMLSA-N 2 1 359.445 3.199 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cs2)o1 ZINC000420379805 500451933 /nfs/dbraw/zinc/45/19/33/500451933.db2.gz NPQZDJKHZDKARN-FUHWJXTLSA-N 2 1 361.511 3.430 20 0 FGADMP CC(C)(C)c1cccc(OCC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385405 500452330 /nfs/dbraw/zinc/45/23/30/500452330.db2.gz GIJMUYSQEYNNNG-UXHICEINSA-N 2 1 358.526 3.063 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420415287 500457429 /nfs/dbraw/zinc/45/74/29/500457429.db2.gz VARZDKFFGSCMGQ-MSOLQXFVSA-N 2 1 362.537 3.008 20 0 FGADMP C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420416286 500457491 /nfs/dbraw/zinc/45/74/91/500457491.db2.gz VRSMNUFMFPKUJJ-HGHGUNKESA-N 2 1 371.550 3.261 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000428029597 500459552 /nfs/dbraw/zinc/45/95/52/500459552.db2.gz DYBXMCBUBKNJDH-LQWHRVPQSA-N 2 1 369.534 3.028 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000428029597 500459555 /nfs/dbraw/zinc/45/95/55/500459555.db2.gz DYBXMCBUBKNJDH-LQWHRVPQSA-N 2 1 369.534 3.028 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1)CCCC2 ZINC000432097065 500468192 /nfs/dbraw/zinc/46/81/92/500468192.db2.gz HQODAGASGJSSAQ-SFHVURJKSA-N 2 1 360.546 3.210 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1)CCCC2 ZINC000432097065 500468194 /nfs/dbraw/zinc/46/81/94/500468194.db2.gz HQODAGASGJSSAQ-SFHVURJKSA-N 2 1 360.546 3.210 20 0 FGADMP CC[C@@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428206589 500480882 /nfs/dbraw/zinc/48/08/82/500480882.db2.gz LBXJCAMWVHYTNV-NVXWUHKLSA-N 2 1 364.559 3.434 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285626 500481203 /nfs/dbraw/zinc/48/12/03/500481203.db2.gz GCSLYFNKESSYBX-QUCCMNQESA-N 2 1 357.542 3.354 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424284729 500481289 /nfs/dbraw/zinc/48/12/89/500481289.db2.gz DWLKTSJNJBUWNX-CYBMUJFWSA-N 2 1 353.869 3.272 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C(C)(C)C1 ZINC000428213634 500482278 /nfs/dbraw/zinc/48/22/78/500482278.db2.gz UTUGJHAGEWRZMD-OAHLLOKOSA-N 2 1 364.559 3.434 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000424297526 500483332 /nfs/dbraw/zinc/48/33/32/500483332.db2.gz SVDSHQSXIMVQCM-GFCCVEGCSA-N 2 1 367.287 3.142 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424433122 500504455 /nfs/dbraw/zinc/50/44/55/500504455.db2.gz IDPBTXSDCMNAES-FQEVSTJZSA-N 2 1 352.482 3.192 20 0 FGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OCC(C)C ZINC000432364363 500505562 /nfs/dbraw/zinc/50/55/62/500505562.db2.gz HWRGNQIHLGSSKU-SFHVURJKSA-N 2 1 364.530 3.321 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1OC(F)F ZINC000432364983 500505586 /nfs/dbraw/zinc/50/55/86/500505586.db2.gz OUSNVMIPSVNKFN-OAHLLOKOSA-N 2 1 372.456 3.277 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432413802 500513405 /nfs/dbraw/zinc/51/34/05/500513405.db2.gz IGQOXZDAQQFCJJ-CVEARBPZSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432413802 500513407 /nfs/dbraw/zinc/51/34/07/500513407.db2.gz IGQOXZDAQQFCJJ-CVEARBPZSA-N 2 1 367.921 3.148 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000420839716 500513427 /nfs/dbraw/zinc/51/34/27/500513427.db2.gz TURZATLREOOHJQ-AOMIVXANSA-N 2 1 372.557 3.213 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000428473239 500514672 /nfs/dbraw/zinc/51/46/72/500514672.db2.gz LWRWZPVTGBAXNI-MLCQCVOFSA-N 2 1 372.553 3.462 20 0 FGADMP Cc1cc(CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857572 500516965 /nfs/dbraw/zinc/51/69/65/500516965.db2.gz ZVBGERBPRASCBQ-PXNSSMCTSA-N 2 1 352.482 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420898590 500525474 /nfs/dbraw/zinc/52/54/74/500525474.db2.gz ZIYJFRANRTWNAY-GTROLIPKSA-N 2 1 372.557 3.164 20 0 FGADMP COc1ccc(OCC[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420903398 500526652 /nfs/dbraw/zinc/52/66/52/500526652.db2.gz OADAXSJYUFZDMS-UHFFFAOYSA-N 2 1 370.493 3.038 20 0 FGADMP COc1ccc(OCC[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000420903398 500526654 /nfs/dbraw/zinc/52/66/54/500526654.db2.gz OADAXSJYUFZDMS-UHFFFAOYSA-N 2 1 370.493 3.038 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985858 500548189 /nfs/dbraw/zinc/54/81/89/500548189.db2.gz WZPIJJXUURLPNH-QGZVFWFLSA-N 2 1 356.514 3.381 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC[C@@H](F)C1 ZINC000424716196 500548917 /nfs/dbraw/zinc/54/89/17/500548917.db2.gz VEOGMVVQVYZROV-RBUKOAKNSA-N 2 1 367.553 3.169 20 0 FGADMP CC(C)[C@@H](CNC(=O)[C@](C)([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000447436280 500605638 /nfs/dbraw/zinc/60/56/38/500605638.db2.gz VOIUTKCRQLGJNO-FYYLOGMGSA-N 2 1 365.521 3.060 20 0 FGADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528255 500617998 /nfs/dbraw/zinc/61/79/98/500617998.db2.gz IGTYNURTHLBQNE-SFTDATJTSA-N 2 1 357.542 3.403 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442917966 500646446 /nfs/dbraw/zinc/64/64/46/500646446.db2.gz BSHBMVGMSFYQPU-QGZVFWFLSA-N 2 1 355.482 3.230 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000443061482 500671727 /nfs/dbraw/zinc/67/17/27/500671727.db2.gz JHNNHXVGMOPLOW-UHFFFAOYSA-N 2 1 367.541 3.374 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnc(C(C)C)nc2)CC1 ZINC000443061482 500671730 /nfs/dbraw/zinc/67/17/30/500671730.db2.gz JHNNHXVGMOPLOW-UHFFFAOYSA-N 2 1 367.541 3.374 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573564319 506212561 /nfs/dbraw/zinc/21/25/61/506212561.db2.gz DIMVJCONAZRGBP-UBDQQSCGSA-N 2 1 355.482 3.011 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573564319 506212563 /nfs/dbraw/zinc/21/25/63/506212563.db2.gz DIMVJCONAZRGBP-UBDQQSCGSA-N 2 1 355.482 3.011 20 0 FGADMP Cc1nc(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c(C)s1 ZINC000443613739 500745072 /nfs/dbraw/zinc/74/50/72/500745072.db2.gz JBWHXTUHTPRSBY-UHFFFAOYSA-N 2 1 358.555 3.010 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCO[C@H](C(C)(C)C)C1)C1CC[NH+](C)CC1 ZINC000448354872 500752084 /nfs/dbraw/zinc/75/20/84/500752084.db2.gz LSGMUTRWFSOQGB-NRFANRHFSA-N 2 1 359.558 3.464 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443957482 500783832 /nfs/dbraw/zinc/78/38/32/500783832.db2.gz BANGZFSMCCDHDF-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443957482 500783833 /nfs/dbraw/zinc/78/38/33/500783833.db2.gz BANGZFSMCCDHDF-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000438565371 500802435 /nfs/dbraw/zinc/80/24/35/500802435.db2.gz CFEFOFZGMXESHV-PZJWPPBQSA-N 2 1 361.574 3.364 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438564683 500802520 /nfs/dbraw/zinc/80/25/20/500802520.db2.gz WFFCCNRSPNCNEH-QFIPXVFZSA-N 2 1 369.553 3.483 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000444248766 500823929 /nfs/dbraw/zinc/82/39/29/500823929.db2.gz PKUUHRBVYQPMSZ-UHFFFAOYSA-N 2 1 351.494 3.452 20 0 FGADMP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265575 500826502 /nfs/dbraw/zinc/82/65/02/500826502.db2.gz AYEBPTJGPCZNRD-RBBKRZOGSA-N 2 1 367.537 3.033 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444311965 500833388 /nfs/dbraw/zinc/83/33/88/500833388.db2.gz JTDYBLNYLIDFPY-FQEVSTJZSA-N 2 1 357.542 3.278 20 0 FGADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OCc1c(C)noc1C ZINC000582430841 506221418 /nfs/dbraw/zinc/22/14/18/506221418.db2.gz JHSVVTDZTHEOCR-UHFFFAOYSA-N 2 1 359.470 3.064 20 0 FGADMP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434684468 500879239 /nfs/dbraw/zinc/87/92/39/500879239.db2.gz ISPJKJGJIMHSNO-QGZVFWFLSA-N 2 1 358.530 3.046 20 0 FGADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)NCC1CCCCC1 ZINC000434686482 500879257 /nfs/dbraw/zinc/87/92/57/500879257.db2.gz UAGBORKKWUBHLL-UHFFFAOYSA-N 2 1 372.557 3.485 20 0 FGADMP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434754477 500889586 /nfs/dbraw/zinc/88/95/86/500889586.db2.gz IPDZJVFBGNYSJW-HXUWFJFHSA-N 2 1 366.509 3.228 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)[nH]c1C ZINC000449069745 500916500 /nfs/dbraw/zinc/91/65/00/500916500.db2.gz HZNAEOQYWXWJEZ-UHFFFAOYSA-N 2 1 355.482 3.038 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)[nH]c1C ZINC000449069745 500916502 /nfs/dbraw/zinc/91/65/02/500916502.db2.gz HZNAEOQYWXWJEZ-UHFFFAOYSA-N 2 1 355.482 3.038 20 0 FGADMP C[C@H]1[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000582439978 506224110 /nfs/dbraw/zinc/22/41/10/506224110.db2.gz YLYWZOZEFAJTAV-GHTZIAJQSA-N 2 1 372.557 3.165 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000449081637 500920262 /nfs/dbraw/zinc/92/02/62/500920262.db2.gz GUVAVNJANKSTOI-IRXDYDNUSA-N 2 1 354.498 3.253 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449164403 500938260 /nfs/dbraw/zinc/93/82/60/500938260.db2.gz ZERIQPJODHUVHF-KRWDZBQOSA-N 2 1 354.494 3.439 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195890 500945712 /nfs/dbraw/zinc/94/57/12/500945712.db2.gz WTPCWBMUJVJXIX-DLBZAZTESA-N 2 1 371.294 3.056 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000435234760 500946716 /nfs/dbraw/zinc/94/67/16/500946716.db2.gz AMOCLIUSEDTPTL-QFIPXVFZSA-N 2 1 363.505 3.285 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)ccn1 ZINC000449225940 500952520 /nfs/dbraw/zinc/95/25/20/500952520.db2.gz WAXILMCLTWADSM-OAHLLOKOSA-N 2 1 365.399 3.216 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439965191 500960887 /nfs/dbraw/zinc/96/08/87/500960887.db2.gz ZUDYZLIZKOXDSW-LEWJYISDSA-N 2 1 355.526 3.174 20 0 FGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccncc1 ZINC000435372003 500961685 /nfs/dbraw/zinc/96/16/85/500961685.db2.gz PUVVJGLRMDZSSM-YOFSQIOKSA-N 2 1 367.493 3.384 20 0 FGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCc1ccncc1 ZINC000435372003 500961688 /nfs/dbraw/zinc/96/16/88/500961688.db2.gz PUVVJGLRMDZSSM-YOFSQIOKSA-N 2 1 367.493 3.384 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000435373665 500962346 /nfs/dbraw/zinc/96/23/46/500962346.db2.gz NWZLTAQILDHRET-MJGOQNOKSA-N 2 1 361.493 3.163 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373749 500962433 /nfs/dbraw/zinc/96/24/33/500962433.db2.gz OLKKONUPICHZOI-HIFRSBDPSA-N 2 1 352.404 3.119 20 0 FGADMP C[N@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CC[NH2+]CC1 ZINC000435382526 500964678 /nfs/dbraw/zinc/96/46/78/500964678.db2.gz DOTOICLVRIDIQC-UHFFFAOYSA-N 2 1 361.493 3.177 20 0 FGADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)C1CC[NH2+]CC1 ZINC000435382526 500964680 /nfs/dbraw/zinc/96/46/80/500964680.db2.gz DOTOICLVRIDIQC-UHFFFAOYSA-N 2 1 361.493 3.177 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000607689580 506227072 /nfs/dbraw/zinc/22/70/72/506227072.db2.gz DHSGWOPTECHZBE-GUDVDZBRSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000607689580 506227079 /nfs/dbraw/zinc/22/70/79/506227079.db2.gz DHSGWOPTECHZBE-GUDVDZBRSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000607689580 506227083 /nfs/dbraw/zinc/22/70/83/506227083.db2.gz DHSGWOPTECHZBE-GUDVDZBRSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(I)cc1 ZINC000449330230 500979427 /nfs/dbraw/zinc/97/94/27/500979427.db2.gz KOCGIISGWVWGQM-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330230 500979423 /nfs/dbraw/zinc/97/94/23/500979423.db2.gz KOCGIISGWVWGQM-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330230 500979424 /nfs/dbraw/zinc/97/94/24/500979424.db2.gz KOCGIISGWVWGQM-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(I)cc1 ZINC000449330230 500979425 /nfs/dbraw/zinc/97/94/25/500979425.db2.gz KOCGIISGWVWGQM-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NC[C@@H]2CCCC[N@H+]2CCO)CC1 ZINC000449398587 500994221 /nfs/dbraw/zinc/99/42/21/500994221.db2.gz VUERYVODCPMBPX-IBGZPJMESA-N 2 1 353.595 3.102 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCCN2CCO)CC1 ZINC000449398587 500994224 /nfs/dbraw/zinc/99/42/24/500994224.db2.gz VUERYVODCPMBPX-IBGZPJMESA-N 2 1 353.595 3.102 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615638 501002593 /nfs/dbraw/zinc/00/25/93/501002593.db2.gz ILOOEONGHJXSKG-MAUKXSAKSA-N 2 1 351.560 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435615638 501002595 /nfs/dbraw/zinc/00/25/95/501002595.db2.gz ILOOEONGHJXSKG-MAUKXSAKSA-N 2 1 351.560 3.416 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504560 501020607 /nfs/dbraw/zinc/02/06/07/501020607.db2.gz QQESEMLCVIOKDW-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504560 501020610 /nfs/dbraw/zinc/02/06/10/501020610.db2.gz QQESEMLCVIOKDW-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504560 501020612 /nfs/dbraw/zinc/02/06/12/501020612.db2.gz QQESEMLCVIOKDW-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504560 501020614 /nfs/dbraw/zinc/02/06/14/501020614.db2.gz QQESEMLCVIOKDW-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000449523245 501024920 /nfs/dbraw/zinc/02/49/20/501024920.db2.gz YCZHGYPRNUQROI-UXHICEINSA-N 2 1 352.482 3.357 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000445875571 501045112 /nfs/dbraw/zinc/04/51/12/501045112.db2.gz OBXPOKAKPULVDH-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270368 501111775 /nfs/dbraw/zinc/11/17/75/501111775.db2.gz OHYSNWTWLYLNGX-HFTRVMKXSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270368 501111776 /nfs/dbraw/zinc/11/17/76/501111776.db2.gz OHYSNWTWLYLNGX-HFTRVMKXSA-N 2 1 372.431 3.268 20 0 FGADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000441348726 501125541 /nfs/dbraw/zinc/12/55/41/501125541.db2.gz CVWYOZULAGBXMU-OAHLLOKOSA-N 2 1 368.363 3.168 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450454628 501126271 /nfs/dbraw/zinc/12/62/71/501126271.db2.gz OPQUHRUXDDHCAP-MRXNPFEDSA-N 2 1 368.905 3.059 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450454628 501126273 /nfs/dbraw/zinc/12/62/73/501126273.db2.gz OPQUHRUXDDHCAP-MRXNPFEDSA-N 2 1 368.905 3.059 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448181 501140938 /nfs/dbraw/zinc/14/09/38/501140938.db2.gz KLEWMRYFXYJZSN-NHCUHLMSSA-N 2 1 360.542 3.159 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448181 501140942 /nfs/dbraw/zinc/14/09/42/501140942.db2.gz KLEWMRYFXYJZSN-NHCUHLMSSA-N 2 1 360.542 3.159 20 0 FGADMP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(Br)ccc12 ZINC000450600640 501164303 /nfs/dbraw/zinc/16/43/03/501164303.db2.gz WJIFYXGZQMGVBI-CQSZACIVSA-N 2 1 364.287 3.256 20 0 FGADMP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(Br)ccc12 ZINC000450600640 501164306 /nfs/dbraw/zinc/16/43/06/501164306.db2.gz WJIFYXGZQMGVBI-CQSZACIVSA-N 2 1 364.287 3.256 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(Nc3cc[nH+]cc3Cl)CC2)cc1 ZINC000450783116 501207851 /nfs/dbraw/zinc/20/78/51/501207851.db2.gz ACCAJQCQEWZZEI-UHFFFAOYSA-N 2 1 358.873 3.192 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)c3ccccc3)C1)CCCC2 ZINC000450784740 501208157 /nfs/dbraw/zinc/20/81/57/501208157.db2.gz KPSLUZDXISANAX-ZWDAVXSWSA-N 2 1 353.510 3.482 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)c3ccccc3)C1)CCCC2 ZINC000450784740 501208158 /nfs/dbraw/zinc/20/81/58/501208158.db2.gz KPSLUZDXISANAX-ZWDAVXSWSA-N 2 1 353.510 3.482 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)C[C@@H]2CCCO2)ccc1F)C[C@H]1CCCO1 ZINC000450271183 501223004 /nfs/dbraw/zinc/22/30/04/501223004.db2.gz PPLYMVCSNYUQKV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@@H]2CCCO2)ccc1F)C[C@H]1CCCO1 ZINC000450271183 501223008 /nfs/dbraw/zinc/22/30/08/501223008.db2.gz PPLYMVCSNYUQKV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000450271183 501223010 /nfs/dbraw/zinc/22/30/10/501223010.db2.gz PPLYMVCSNYUQKV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000450271183 501223013 /nfs/dbraw/zinc/22/30/13/501223013.db2.gz PPLYMVCSNYUQKV-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878764 501223177 /nfs/dbraw/zinc/22/31/77/501223177.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878764 501223178 /nfs/dbraw/zinc/22/31/78/501223178.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878764 501223180 /nfs/dbraw/zinc/22/31/80/501223180.db2.gz TXOCNTBSNWZYNZ-OALUTQOASA-N 2 1 364.603 3.468 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451014768 501239275 /nfs/dbraw/zinc/23/92/75/501239275.db2.gz DARARUBGRICANW-LJQANCHMSA-N 2 1 369.513 3.120 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451014768 501239276 /nfs/dbraw/zinc/23/92/76/501239276.db2.gz DARARUBGRICANW-LJQANCHMSA-N 2 1 369.513 3.120 20 0 FGADMP OC1CCC2(CC1)CC[NH+](CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000451156023 501248684 /nfs/dbraw/zinc/24/86/84/501248684.db2.gz RHGWLEXIUROVLW-UHFFFAOYSA-N 2 1 371.569 3.216 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2nccn21 ZINC000453078441 501264160 /nfs/dbraw/zinc/26/41/60/501264160.db2.gz GDXNOXGVRNQLOT-PDOICOKGSA-N 2 1 354.498 3.288 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c2nccn21 ZINC000453078441 501264164 /nfs/dbraw/zinc/26/41/64/501264164.db2.gz GDXNOXGVRNQLOT-PDOICOKGSA-N 2 1 354.498 3.288 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3nccn3CC)CC2)cs1 ZINC000453107523 501270457 /nfs/dbraw/zinc/27/04/57/501270457.db2.gz IVHNEZTWALHJGN-HNNXBMFYSA-N 2 1 361.559 3.485 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000453110473 501271254 /nfs/dbraw/zinc/27/12/54/501271254.db2.gz BMMKHWLRMGVJRB-BQFCYCMXSA-N 2 1 352.544 3.305 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000453110473 501271255 /nfs/dbraw/zinc/27/12/55/501271255.db2.gz BMMKHWLRMGVJRB-BQFCYCMXSA-N 2 1 352.544 3.305 20 0 FGADMP CN(C(=O)c1[nH]ccc1C1CC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457661565 501281030 /nfs/dbraw/zinc/28/10/30/501281030.db2.gz GWGOIGMUOLPUQT-UXHICEINSA-N 2 1 372.557 3.301 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)nc1 ZINC000453179888 501286348 /nfs/dbraw/zinc/28/63/48/501286348.db2.gz PPQOVOHSAFZTKM-HBMCJLEFSA-N 2 1 350.510 3.360 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453198186 501289111 /nfs/dbraw/zinc/28/91/11/501289111.db2.gz ONSFXQFXTWPYDR-HSZRJFAPSA-N 2 1 350.506 3.290 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254632 501300820 /nfs/dbraw/zinc/30/08/20/501300820.db2.gz PJPKYSDLQCPVOZ-FPOVZHCZSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380063 501322329 /nfs/dbraw/zinc/32/23/29/501322329.db2.gz ZMDUYSGSQBWCDU-GTACMHHNSA-N 2 1 374.479 3.461 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407025 501325777 /nfs/dbraw/zinc/32/57/77/501325777.db2.gz RRAJHRNSROWPJL-ILWGZMRPSA-N 2 1 350.510 3.218 20 0 FGADMP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000455601092 501343856 /nfs/dbraw/zinc/34/38/56/501343856.db2.gz BZGOQCJZQIMGFN-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455601092 501343860 /nfs/dbraw/zinc/34/38/60/501343860.db2.gz BZGOQCJZQIMGFN-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455601092 501343864 /nfs/dbraw/zinc/34/38/64/501343864.db2.gz BZGOQCJZQIMGFN-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP C[S@@](=O)C1(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602656246 506247449 /nfs/dbraw/zinc/24/74/49/506247449.db2.gz NKVODTHHBGUKGJ-NBGIEHNGSA-N 2 1 362.583 3.426 20 0 FGADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@@H+](C)Cc1ccccc1 ZINC000458194968 501389584 /nfs/dbraw/zinc/38/95/84/501389584.db2.gz BJNGKLKXKNZKLW-KRWDZBQOSA-N 2 1 359.539 3.159 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458338265 501423190 /nfs/dbraw/zinc/42/31/90/501423190.db2.gz HQQYUBHOZWDSBN-CALCHBBNSA-N 2 1 366.575 3.084 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000458381087 501431644 /nfs/dbraw/zinc/43/16/44/501431644.db2.gz VOPCQUPYLKDMNN-PGRDOPGGSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416578 501439825 /nfs/dbraw/zinc/43/98/25/501439825.db2.gz QIXQCSUXIJMOEQ-GHTZIAJQSA-N 2 1 372.557 3.336 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1)C1CC1 ZINC000452170072 501451532 /nfs/dbraw/zinc/45/15/32/501451532.db2.gz KDKZKSRHOABTSZ-QGZVFWFLSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1)C1CC1 ZINC000452170072 501451535 /nfs/dbraw/zinc/45/15/35/501451535.db2.gz KDKZKSRHOABTSZ-QGZVFWFLSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1)C1CC1 ZINC000452170072 501451537 /nfs/dbraw/zinc/45/15/37/501451537.db2.gz KDKZKSRHOABTSZ-QGZVFWFLSA-N 2 1 355.526 3.227 20 0 FGADMP Cn1cncc1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495041 506254600 /nfs/dbraw/zinc/25/46/00/506254600.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495041 506254609 /nfs/dbraw/zinc/25/46/09/506254609.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 2 1 352.526 3.339 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000458514134 501463246 /nfs/dbraw/zinc/46/32/46/501463246.db2.gz CHDDILKCYUAKDG-OXQOHEQNSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458514134 501463247 /nfs/dbraw/zinc/46/32/47/501463247.db2.gz CHDDILKCYUAKDG-OXQOHEQNSA-N 2 1 369.513 3.366 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495041 506254620 /nfs/dbraw/zinc/25/46/20/506254620.db2.gz UMYMYUDRIYGHMO-RBBKRZOGSA-N 2 1 352.526 3.339 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519183 501464777 /nfs/dbraw/zinc/46/47/77/501464777.db2.gz WCDFCTBHJUHCAR-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519183 501464780 /nfs/dbraw/zinc/46/47/80/501464780.db2.gz WCDFCTBHJUHCAR-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519183 501464783 /nfs/dbraw/zinc/46/47/83/501464783.db2.gz WCDFCTBHJUHCAR-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454214217 501484151 /nfs/dbraw/zinc/48/41/51/501484151.db2.gz DMPLABSSBDEBCF-UHFFFAOYSA-N 2 1 372.557 3.215 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689415 501508661 /nfs/dbraw/zinc/50/86/61/501508661.db2.gz SSDAQFLKZRALHV-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000458759398 501524423 /nfs/dbraw/zinc/52/44/23/501524423.db2.gz GHOYKTJVUDVVIU-XLIONFOSSA-N 2 1 360.546 3.160 20 0 FGADMP CSC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027471 501604061 /nfs/dbraw/zinc/60/40/61/501604061.db2.gz VMWKMDSTFJYLSJ-UXHICEINSA-N 2 1 362.583 3.333 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000459268538 501622293 /nfs/dbraw/zinc/62/22/93/501622293.db2.gz SENRKRZTBPPHQJ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000459268538 501622295 /nfs/dbraw/zinc/62/22/95/501622295.db2.gz SENRKRZTBPPHQJ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000459268538 501622296 /nfs/dbraw/zinc/62/22/96/501622296.db2.gz SENRKRZTBPPHQJ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459326200 501631733 /nfs/dbraw/zinc/63/17/33/501631733.db2.gz WVFRFLHQDOELRW-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459326200 501631734 /nfs/dbraw/zinc/63/17/34/501631734.db2.gz WVFRFLHQDOELRW-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459326200 501631736 /nfs/dbraw/zinc/63/17/36/501631736.db2.gz WVFRFLHQDOELRW-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099149 501650524 /nfs/dbraw/zinc/65/05/24/501650524.db2.gz UXHUZCDCMAXGCP-RTBURBONSA-N 2 1 372.557 3.434 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099149 501650526 /nfs/dbraw/zinc/65/05/26/501650526.db2.gz UXHUZCDCMAXGCP-RTBURBONSA-N 2 1 372.557 3.434 20 0 FGADMP COc1cccc([C@H]2[C@H](NC3CC[NH+](C4CC4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000459456300 501656849 /nfs/dbraw/zinc/65/68/49/501656849.db2.gz HKNNTDSUCODZNQ-YADHBBJMSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@H]2[C@H](NC3CC[NH+](C4CC4)CC3)CC[N@H+]2C2CC2)c1 ZINC000459456300 501656851 /nfs/dbraw/zinc/65/68/51/501656851.db2.gz HKNNTDSUCODZNQ-YADHBBJMSA-N 2 1 355.526 3.189 20 0 FGADMP Cc1cc(F)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(Cl)c1 ZINC000459467353 501658841 /nfs/dbraw/zinc/65/88/41/501658841.db2.gz RQVGQIJVQGJCAL-UHFFFAOYSA-N 2 1 351.853 3.413 20 0 FGADMP Cc1cc(F)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(Cl)c1 ZINC000459558113 501676669 /nfs/dbraw/zinc/67/66/69/501676669.db2.gz KZSRSWLONBSSIL-UHFFFAOYSA-N 2 1 353.913 3.247 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCCCC[NH+]3CCCC3)CC2)c1 ZINC000455112592 501690164 /nfs/dbraw/zinc/69/01/64/501690164.db2.gz JNYCTMQSTVWJTF-UHFFFAOYSA-N 2 1 372.557 3.088 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc(Br)c2)s1 ZINC000459649410 501692666 /nfs/dbraw/zinc/69/26/66/501692666.db2.gz VSOWKBUCVZCKGT-UHFFFAOYSA-N 2 1 354.317 3.300 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000459739387 501706874 /nfs/dbraw/zinc/70/68/74/501706874.db2.gz SLPKBDPBHNCRQQ-ZDUSSCGKSA-N 2 1 368.312 3.396 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457495790 501710392 /nfs/dbraw/zinc/71/03/92/501710392.db2.gz ROQZZRUHQMFRHF-IRXDYDNUSA-N 2 1 364.559 3.011 20 0 FGADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000460186394 501753349 /nfs/dbraw/zinc/75/33/49/501753349.db2.gz XZGLEZVGAJONRO-NRFANRHFSA-N 2 1 371.569 3.179 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234098 501764282 /nfs/dbraw/zinc/76/42/82/501764282.db2.gz IYRPTQFRKJJTLF-CIAFKFPVSA-N 2 1 369.553 3.278 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324324 501790429 /nfs/dbraw/zinc/79/04/29/501790429.db2.gz DLVAMUQMKYMNQN-NHCUHLMSSA-N 2 1 369.484 3.209 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324324 501790437 /nfs/dbraw/zinc/79/04/37/501790437.db2.gz DLVAMUQMKYMNQN-NHCUHLMSSA-N 2 1 369.484 3.209 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774019 501798418 /nfs/dbraw/zinc/79/84/18/501798418.db2.gz QRQOFUJUOMXDIW-REWPJTCUSA-N 2 1 352.522 3.407 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774019 501798423 /nfs/dbraw/zinc/79/84/23/501798423.db2.gz QRQOFUJUOMXDIW-REWPJTCUSA-N 2 1 352.522 3.407 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000481531392 501804803 /nfs/dbraw/zinc/80/48/03/501804803.db2.gz UYZLNANRMOPBSG-HXUWFJFHSA-N 2 1 357.542 3.204 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000481531392 501804809 /nfs/dbraw/zinc/80/48/09/501804809.db2.gz UYZLNANRMOPBSG-HXUWFJFHSA-N 2 1 357.542 3.204 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000481531392 501804815 /nfs/dbraw/zinc/80/48/15/501804815.db2.gz UYZLNANRMOPBSG-HXUWFJFHSA-N 2 1 357.542 3.204 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCC[NH+]3CCCC3)c2C)cc1 ZINC000463738867 501808119 /nfs/dbraw/zinc/80/81/19/501808119.db2.gz ZESAAPSEAGFLJG-UHFFFAOYSA-N 2 1 356.514 3.132 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NCC[N@@H+]2CC=CCC2)CCCC1)c1ccccc1 ZINC000474370718 501809603 /nfs/dbraw/zinc/80/96/03/501809603.db2.gz WLTLQEBQPISVLE-IBGZPJMESA-N 2 1 370.541 3.211 20 0 FGADMP CCS[C@H]1CCCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385786 501811018 /nfs/dbraw/zinc/81/10/18/501811018.db2.gz GCWSVTBCFSEHOF-OALUTQOASA-N 2 1 363.571 3.013 20 0 FGADMP CN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470893026 501844370 /nfs/dbraw/zinc/84/43/70/501844370.db2.gz QCWBAQONXGAEPW-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470893026 501844371 /nfs/dbraw/zinc/84/43/71/501844371.db2.gz QCWBAQONXGAEPW-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470893026 501844372 /nfs/dbraw/zinc/84/43/72/501844372.db2.gz QCWBAQONXGAEPW-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccc(CCC[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000474470446 501847361 /nfs/dbraw/zinc/84/73/61/501847361.db2.gz RVGUQKPMWDBDJF-QHCPKHFHSA-N 2 1 366.553 3.291 20 0 FGADMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470921798 501856372 /nfs/dbraw/zinc/85/63/72/501856372.db2.gz CRZRDYQMRZAGSM-ALFLXDJESA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470921798 501856377 /nfs/dbraw/zinc/85/63/77/501856377.db2.gz CRZRDYQMRZAGSM-ALFLXDJESA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@H](C2CC2)O1 ZINC000470921798 501856382 /nfs/dbraw/zinc/85/63/82/501856382.db2.gz CRZRDYQMRZAGSM-ALFLXDJESA-N 2 1 350.547 3.155 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042038 501863416 /nfs/dbraw/zinc/86/34/16/501863416.db2.gz PJQLHGFVYKUPBO-ICSRJNTNSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042038 501863421 /nfs/dbraw/zinc/86/34/21/501863421.db2.gz PJQLHGFVYKUPBO-ICSRJNTNSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042038 501863426 /nfs/dbraw/zinc/86/34/26/501863426.db2.gz PJQLHGFVYKUPBO-ICSRJNTNSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042038 501863432 /nfs/dbraw/zinc/86/34/32/501863432.db2.gz PJQLHGFVYKUPBO-ICSRJNTNSA-N 2 1 362.558 3.388 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2sccc2c1 ZINC000471021733 501893180 /nfs/dbraw/zinc/89/31/80/501893180.db2.gz JYBRRQOUACQZCM-SFHVURJKSA-N 2 1 359.539 3.389 20 0 FGADMP CC(C)C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468007037 501927914 /nfs/dbraw/zinc/92/79/14/501927914.db2.gz UJZRUULDEGJPHB-QUCCMNQESA-N 2 1 372.557 3.242 20 0 FGADMP CC[NH+]1CCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000468030565 501935573 /nfs/dbraw/zinc/93/55/73/501935573.db2.gz QLMDVPBOYSHTDA-QUCCMNQESA-N 2 1 360.546 3.099 20 0 FGADMP CN(C)c1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987977 501936362 /nfs/dbraw/zinc/93/63/62/501936362.db2.gz DKTVHRHVLJMJHS-RBUKOAKNSA-N 2 1 351.498 3.034 20 0 FGADMP CN(C)c1nc(N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987977 501936365 /nfs/dbraw/zinc/93/63/65/501936365.db2.gz DKTVHRHVLJMJHS-RBUKOAKNSA-N 2 1 351.498 3.034 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000482020211 501948887 /nfs/dbraw/zinc/94/88/87/501948887.db2.gz XSNSBVVCEGXMFF-DYESRHJHSA-N 2 1 368.525 3.236 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000482020211 501948892 /nfs/dbraw/zinc/94/88/92/501948892.db2.gz XSNSBVVCEGXMFF-DYESRHJHSA-N 2 1 368.525 3.236 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000471235405 501963064 /nfs/dbraw/zinc/96/30/64/501963064.db2.gz OZPPEWMQGULTPZ-RXVVDRJESA-N 2 1 373.585 3.305 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000471235404 501963497 /nfs/dbraw/zinc/96/34/97/501963497.db2.gz OZPPEWMQGULTPZ-NQIIRXRSSA-N 2 1 373.585 3.305 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(C(C)C)cc3)C2)CC1 ZINC000460967135 501973747 /nfs/dbraw/zinc/97/37/47/501973747.db2.gz CGHPORHMFLNVFG-HXUWFJFHSA-N 2 1 371.569 3.275 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891760 501978487 /nfs/dbraw/zinc/97/84/87/501978487.db2.gz BXTNBQCWYAZTTM-PXNSSMCTSA-N 2 1 351.494 3.314 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000482121995 501980999 /nfs/dbraw/zinc/98/09/99/501980999.db2.gz RIWDTDGLUGTOKW-HNNXBMFYSA-N 2 1 350.260 3.458 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@@H](C)c1cccs1 ZINC000482162452 501994678 /nfs/dbraw/zinc/99/46/78/501994678.db2.gz HLDDZXIGYCCGLP-YESZJQIVSA-N 2 1 351.560 3.416 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471350874 501995491 /nfs/dbraw/zinc/99/54/91/501995491.db2.gz PVVJOGFATGBIKB-UHFFFAOYSA-N 2 1 371.569 3.309 20 0 FGADMP CCN(C(=O)NCCC[NH+]1CCCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000471372733 502002395 /nfs/dbraw/zinc/00/23/95/502002395.db2.gz HZUZPHOJQQLEFF-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004650 /nfs/dbraw/zinc/00/46/50/502004650.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004654 /nfs/dbraw/zinc/00/46/54/502004654.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004659 /nfs/dbraw/zinc/00/46/59/502004659.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004664 /nfs/dbraw/zinc/00/46/64/502004664.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004668 /nfs/dbraw/zinc/00/46/68/502004668.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004671 /nfs/dbraw/zinc/00/46/71/502004671.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494285 502004675 /nfs/dbraw/zinc/00/46/75/502004675.db2.gz AKISQLBYHPFWKA-YSFYHYPLSA-N 3 1 364.622 3.130 20 0 FGADMP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486027832 502024112 /nfs/dbraw/zinc/02/41/12/502024112.db2.gz KVWMDCVJWASXMJ-HLAWJBBLSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027832 502024118 /nfs/dbraw/zinc/02/41/18/502024118.db2.gz KVWMDCVJWASXMJ-HLAWJBBLSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027832 502024125 /nfs/dbraw/zinc/02/41/25/502024125.db2.gz KVWMDCVJWASXMJ-HLAWJBBLSA-N 2 1 357.542 3.087 20 0 FGADMP CC[N@@H+](CCc1cccs1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475041708 502032032 /nfs/dbraw/zinc/03/20/32/502032032.db2.gz RSBINECFUCUYBY-LJQANCHMSA-N 2 1 359.539 3.032 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cc(Br)cc3c2OCC3)CC1 ZINC000475133512 502072599 /nfs/dbraw/zinc/07/25/99/502072599.db2.gz JCYIDAMARABFNR-UHFFFAOYSA-N 2 1 365.315 3.444 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(Br)cc3c2OCC3)CC1 ZINC000475133512 502072604 /nfs/dbraw/zinc/07/26/04/502072604.db2.gz JCYIDAMARABFNR-UHFFFAOYSA-N 2 1 365.315 3.444 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615277 502089357 /nfs/dbraw/zinc/08/93/57/502089357.db2.gz QRMNGGYALXWZIX-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000471615277 502089363 /nfs/dbraw/zinc/08/93/63/502089363.db2.gz QRMNGGYALXWZIX-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000471615277 502089366 /nfs/dbraw/zinc/08/93/66/502089366.db2.gz QRMNGGYALXWZIX-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468544298 502099631 /nfs/dbraw/zinc/09/96/31/502099631.db2.gz VQNSWDVMBVFCJH-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000461418308 502107152 /nfs/dbraw/zinc/10/71/52/502107152.db2.gz AZUMUIFNQFVVHS-APWZRJJASA-N 2 1 363.933 3.277 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000475277164 502116123 /nfs/dbraw/zinc/11/61/23/502116123.db2.gz DKAUNUALKUJAND-JTSKRJEESA-N 2 1 357.542 3.216 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953617 502154174 /nfs/dbraw/zinc/15/41/74/502154174.db2.gz PJBJNCQKOBNCFI-CEXWTWQISA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953617 502154182 /nfs/dbraw/zinc/15/41/82/502154182.db2.gz PJBJNCQKOBNCFI-CEXWTWQISA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953617 502154190 /nfs/dbraw/zinc/15/41/90/502154190.db2.gz PJBJNCQKOBNCFI-CEXWTWQISA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955439 502156147 /nfs/dbraw/zinc/15/61/47/502156147.db2.gz UNLPVGYBLCGONA-SBHAEUEKSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955439 502156150 /nfs/dbraw/zinc/15/61/50/502156150.db2.gz UNLPVGYBLCGONA-SBHAEUEKSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955439 502156154 /nfs/dbraw/zinc/15/61/54/502156154.db2.gz UNLPVGYBLCGONA-SBHAEUEKSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475551061 502210553 /nfs/dbraw/zinc/21/05/53/502210553.db2.gz PUMGUBSEAQMYFA-LJQANCHMSA-N 2 1 354.498 3.130 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475551061 502210559 /nfs/dbraw/zinc/21/05/59/502210559.db2.gz PUMGUBSEAQMYFA-LJQANCHMSA-N 2 1 354.498 3.130 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1 ZINC000465196953 502211918 /nfs/dbraw/zinc/21/19/18/502211918.db2.gz QEMPJXXVJBGQOZ-FXAWDEMLSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465196953 502211922 /nfs/dbraw/zinc/21/19/22/502211922.db2.gz QEMPJXXVJBGQOZ-FXAWDEMLSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465196953 502211928 /nfs/dbraw/zinc/21/19/28/502211928.db2.gz QEMPJXXVJBGQOZ-FXAWDEMLSA-N 2 1 359.514 3.220 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000472051711 502212077 /nfs/dbraw/zinc/21/20/77/502212077.db2.gz IJKSCEKNBNLTMR-PMACEKPBSA-N 2 1 360.546 3.195 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486643305 502218214 /nfs/dbraw/zinc/21/82/14/502218214.db2.gz VXKVKJCCZUIXCQ-FXAWDEMLSA-N 2 1 351.494 3.141 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472072552 502219465 /nfs/dbraw/zinc/21/94/65/502219465.db2.gz FIFVAWOVIZMDPE-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000482946699 502224430 /nfs/dbraw/zinc/22/44/30/502224430.db2.gz LMOQNGCNTUQGNL-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000468915061 502227854 /nfs/dbraw/zinc/22/78/54/502227854.db2.gz KKBNFMHKNPBDNA-FGZHOGPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468915061 502227859 /nfs/dbraw/zinc/22/78/59/502227859.db2.gz KKBNFMHKNPBDNA-FGZHOGPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468915061 502227862 /nfs/dbraw/zinc/22/78/62/502227862.db2.gz KKBNFMHKNPBDNA-FGZHOGPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468915061 502227866 /nfs/dbraw/zinc/22/78/66/502227866.db2.gz KKBNFMHKNPBDNA-FGZHOGPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468915061 502227870 /nfs/dbraw/zinc/22/78/70/502227870.db2.gz KKBNFMHKNPBDNA-FGZHOGPDSA-N 2 1 369.553 3.422 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435657 502262033 /nfs/dbraw/zinc/26/20/33/502262033.db2.gz BPUOMAHUPFSBMW-TZIWHRDSSA-N 2 1 374.573 3.065 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)CC(C)C ZINC000486832276 502278648 /nfs/dbraw/zinc/27/86/48/502278648.db2.gz GXKFPLRHFUZIGH-UHFFFAOYSA-N 2 1 351.579 3.325 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479502588 502278725 /nfs/dbraw/zinc/27/87/25/502278725.db2.gz PQXKYSBNQDZEIN-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278809 /nfs/dbraw/zinc/27/88/09/502278809.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278812 /nfs/dbraw/zinc/27/88/12/502278812.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278817 /nfs/dbraw/zinc/27/88/17/502278817.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278821 /nfs/dbraw/zinc/27/88/21/502278821.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000483118228 502278824 /nfs/dbraw/zinc/27/88/24/502278824.db2.gz KIJZVHMMSBSZLD-MZYLBHOOSA-N 2 1 373.585 3.378 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)CC[NH+]1C ZINC000479537705 502290146 /nfs/dbraw/zinc/29/01/46/502290146.db2.gz OHAIULJYAAXFIP-GGPKGHCWSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000479537705 502290148 /nfs/dbraw/zinc/29/01/48/502290148.db2.gz OHAIULJYAAXFIP-GGPKGHCWSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000479537705 502290151 /nfs/dbraw/zinc/29/01/51/502290151.db2.gz OHAIULJYAAXFIP-GGPKGHCWSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281538 502296754 /nfs/dbraw/zinc/29/67/54/502296754.db2.gz UHNBYDUIPPNAGE-UYAOXDASSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281538 502296762 /nfs/dbraw/zinc/29/67/62/502296762.db2.gz UHNBYDUIPPNAGE-UYAOXDASSA-N 2 1 361.530 3.063 20 0 FGADMP CCc1ccc(-c2noc(C[N@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)n2)cc1 ZINC000472285884 502299279 /nfs/dbraw/zinc/29/92/79/502299279.db2.gz LCKRKDIIYQEIKG-LJQANCHMSA-N 2 1 372.513 3.232 20 0 FGADMP CCc1ccc(-c2noc(C[N@@H+]3CC[C@@H](OCC[NH+](CC)CC)C3)n2)cc1 ZINC000472285884 502299284 /nfs/dbraw/zinc/29/92/84/502299284.db2.gz LCKRKDIIYQEIKG-LJQANCHMSA-N 2 1 372.513 3.232 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000483176029 502302887 /nfs/dbraw/zinc/30/28/87/502302887.db2.gz JKXGSEYVWPLUHJ-WIYYLYMNSA-N 3 1 374.573 3.085 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000479591477 502309244 /nfs/dbraw/zinc/30/92/44/502309244.db2.gz WSSNGRAWGBRVPC-QGZVFWFLSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606863 502322983 /nfs/dbraw/zinc/32/29/83/502322983.db2.gz QYGFYXXGFJEZIO-AZUAARDMSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465606863 502322987 /nfs/dbraw/zinc/32/29/87/502322987.db2.gz QYGFYXXGFJEZIO-AZUAARDMSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465606863 502322990 /nfs/dbraw/zinc/32/29/90/502322990.db2.gz QYGFYXXGFJEZIO-AZUAARDMSA-N 2 1 364.578 3.062 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000465623899 502328691 /nfs/dbraw/zinc/32/86/91/502328691.db2.gz GMPXEPUMUOKFOB-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479681527 502342736 /nfs/dbraw/zinc/34/27/36/502342736.db2.gz DOMGYASQYMRCHB-HXUWFJFHSA-N 2 1 366.594 3.406 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746200 502368012 /nfs/dbraw/zinc/36/80/12/502368012.db2.gz DWZNMIWRMUSDBZ-DYXWJJEUSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746200 502368016 /nfs/dbraw/zinc/36/80/16/502368016.db2.gz DWZNMIWRMUSDBZ-DYXWJJEUSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746200 502368020 /nfs/dbraw/zinc/36/80/20/502368020.db2.gz DWZNMIWRMUSDBZ-DYXWJJEUSA-N 2 1 372.557 3.195 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(F)c2o1 ZINC000607897671 506309985 /nfs/dbraw/zinc/30/99/85/506309985.db2.gz VQGHARLFNSMNGO-MRXNPFEDSA-N 2 1 361.461 3.060 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)c1 ZINC000465811382 502391201 /nfs/dbraw/zinc/39/12/01/502391201.db2.gz JFLHLDKRTYOMCT-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1 ZINC000465811382 502391205 /nfs/dbraw/zinc/39/12/05/502391205.db2.gz JFLHLDKRTYOMCT-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000465811382 502391212 /nfs/dbraw/zinc/39/12/12/502391212.db2.gz JFLHLDKRTYOMCT-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C(C)C ZINC000465848656 502402380 /nfs/dbraw/zinc/40/23/80/502402380.db2.gz RWJVICVCYPVVMH-OAQYLSRUSA-N 2 1 374.573 3.270 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](CC)C(C)C ZINC000465848656 502402384 /nfs/dbraw/zinc/40/23/84/502402384.db2.gz RWJVICVCYPVVMH-OAQYLSRUSA-N 2 1 374.573 3.270 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000465848656 502402389 /nfs/dbraw/zinc/40/23/89/502402389.db2.gz RWJVICVCYPVVMH-OAQYLSRUSA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000483526653 502421710 /nfs/dbraw/zinc/42/17/10/502421710.db2.gz SGZUUMKSBZDMEK-WIYYLYMNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000465923181 502428476 /nfs/dbraw/zinc/42/84/76/502428476.db2.gz SMFIHPDFLIGZRM-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761190 502432611 /nfs/dbraw/zinc/43/26/11/502432611.db2.gz DBUMTVPBKXVHML-NVXWUHKLSA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761190 502432615 /nfs/dbraw/zinc/43/26/15/502432615.db2.gz DBUMTVPBKXVHML-NVXWUHKLSA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761190 502432620 /nfs/dbraw/zinc/43/26/20/502432620.db2.gz DBUMTVPBKXVHML-NVXWUHKLSA-N 2 1 364.921 3.260 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939353 502433594 /nfs/dbraw/zinc/43/35/94/502433594.db2.gz SHPGQCKBSMGORV-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465939353 502433598 /nfs/dbraw/zinc/43/35/98/502433598.db2.gz SHPGQCKBSMGORV-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465939353 502433604 /nfs/dbraw/zinc/43/36/04/502433604.db2.gz SHPGQCKBSMGORV-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000479971585 502434042 /nfs/dbraw/zinc/43/40/42/502434042.db2.gz SKSLTPGJPQQFNE-UHFFFAOYSA-N 2 1 367.424 3.410 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000465954205 502438735 /nfs/dbraw/zinc/43/87/35/502438735.db2.gz ULEIWNLVFUNXIQ-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483630169 502447355 /nfs/dbraw/zinc/44/73/55/502447355.db2.gz XBWYQKITRCMJLC-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1C ZINC000483714549 502472149 /nfs/dbraw/zinc/47/21/49/502472149.db2.gz OQGRYDIHUPBFNQ-ROUUACIJSA-N 2 1 352.567 3.155 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000483716936 502473945 /nfs/dbraw/zinc/47/39/45/502473945.db2.gz UVFJUROBXDHMQX-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466154553 502491262 /nfs/dbraw/zinc/49/12/62/502491262.db2.gz TUYKJWHISSBZFI-VNTMZGSJSA-N 2 1 364.578 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000480255883 502514803 /nfs/dbraw/zinc/51/48/03/502514803.db2.gz ZDBFHAWZILSZTO-PZJWPPBQSA-N 2 1 359.558 3.166 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729561 502519651 /nfs/dbraw/zinc/51/96/51/502519651.db2.gz SRMQSDDMLKJSEZ-ZWKOTPCHSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729561 502519657 /nfs/dbraw/zinc/51/96/57/502519657.db2.gz SRMQSDDMLKJSEZ-ZWKOTPCHSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729561 502519662 /nfs/dbraw/zinc/51/96/62/502519662.db2.gz SRMQSDDMLKJSEZ-ZWKOTPCHSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729561 502519667 /nfs/dbraw/zinc/51/96/67/502519667.db2.gz SRMQSDDMLKJSEZ-ZWKOTPCHSA-N 2 1 356.432 3.288 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1cccc(F)c1 ZINC000487747151 502521092 /nfs/dbraw/zinc/52/10/92/502521092.db2.gz FRCFCQJEBRCCEL-NSDNCLLMSA-N 2 1 361.505 3.104 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000473170111 502534807 /nfs/dbraw/zinc/53/48/07/502534807.db2.gz DVXNZNDXAFBLDJ-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000473170111 502534812 /nfs/dbraw/zinc/53/48/12/502534812.db2.gz DVXNZNDXAFBLDJ-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000473170111 502534820 /nfs/dbraw/zinc/53/48/20/502534820.db2.gz DVXNZNDXAFBLDJ-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)[C@H](C)C1 ZINC000469771018 502539333 /nfs/dbraw/zinc/53/93/33/502539333.db2.gz XNCDKLSBHOOFHM-GGPKGHCWSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2cccc(C)c2)[C@H](C)C1 ZINC000469771018 502539338 /nfs/dbraw/zinc/53/93/38/502539338.db2.gz XNCDKLSBHOOFHM-GGPKGHCWSA-N 2 1 361.530 3.049 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462748016 502555781 /nfs/dbraw/zinc/55/57/81/502555781.db2.gz ZPNHARLMHLJGDL-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748016 502555783 /nfs/dbraw/zinc/55/57/83/502555783.db2.gz ZPNHARLMHLJGDL-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748016 502555784 /nfs/dbraw/zinc/55/57/84/502555784.db2.gz ZPNHARLMHLJGDL-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000469854681 502569362 /nfs/dbraw/zinc/56/93/62/502569362.db2.gz SOGKBWAPDIAFIV-UHFFFAOYSA-N 2 1 369.303 3.042 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000476762184 502580375 /nfs/dbraw/zinc/58/03/75/502580375.db2.gz MURFWNCJQFCKCA-BFYDXBDKSA-N 2 1 351.560 3.414 20 0 FGADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000462814515 502585990 /nfs/dbraw/zinc/58/59/90/502585990.db2.gz FYZHSFPACROZDM-CEWLAPEOSA-N 2 1 364.537 3.299 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466517909 502595226 /nfs/dbraw/zinc/59/52/26/502595226.db2.gz KUPPLPOYCVNPCD-NQIIRXRSSA-N 2 1 372.557 3.261 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480602953 502616862 /nfs/dbraw/zinc/61/68/62/502616862.db2.gz QRUPWMCNFORZME-IXDOHACOSA-N 2 1 367.559 3.077 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480602953 502616870 /nfs/dbraw/zinc/61/68/70/502616870.db2.gz QRUPWMCNFORZME-IXDOHACOSA-N 2 1 367.559 3.077 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480609093 502619563 /nfs/dbraw/zinc/61/95/63/502619563.db2.gz CZJDLPUREKCDME-QFIPXVFZSA-N 2 1 363.505 3.160 20 0 FGADMP CCCOc1c(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000469996125 502623931 /nfs/dbraw/zinc/62/39/31/502623931.db2.gz JBILNPRKXGAJFL-UHFFFAOYSA-N 2 1 371.319 3.430 20 0 FGADMP CCCOc1c(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000469996125 502623936 /nfs/dbraw/zinc/62/39/36/502623936.db2.gz JBILNPRKXGAJFL-UHFFFAOYSA-N 2 1 371.319 3.430 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632144 502628702 /nfs/dbraw/zinc/62/87/02/502628702.db2.gz RINGXAQFOCGTPC-IRXDYDNUSA-N 2 1 367.559 3.221 20 0 FGADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1ccccc1F ZINC000462953837 502641431 /nfs/dbraw/zinc/64/14/31/502641431.db2.gz ZMIQLSGUOZBYOF-QGZVFWFLSA-N 2 1 359.489 3.318 20 0 FGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000480788784 502672510 /nfs/dbraw/zinc/67/25/10/502672510.db2.gz JDUMPFGNYKHQSX-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000480788784 502672512 /nfs/dbraw/zinc/67/25/12/502672512.db2.gz JDUMPFGNYKHQSX-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000480788784 502672518 /nfs/dbraw/zinc/67/25/18/502672518.db2.gz JDUMPFGNYKHQSX-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000473730312 502689552 /nfs/dbraw/zinc/68/95/52/502689552.db2.gz FSWGTDLHZDMCRB-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000473730312 502689556 /nfs/dbraw/zinc/68/95/56/502689556.db2.gz FSWGTDLHZDMCRB-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000473730312 502689562 /nfs/dbraw/zinc/68/95/62/502689562.db2.gz FSWGTDLHZDMCRB-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(Br)c1O ZINC000480906937 502701994 /nfs/dbraw/zinc/70/19/94/502701994.db2.gz LPMBTQWXROBNQL-UHFFFAOYSA-N 2 1 371.319 3.375 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000470211936 502705598 /nfs/dbraw/zinc/70/55/98/502705598.db2.gz OGMXZGJIVYHEMP-NRFANRHFSA-N 2 1 369.553 3.476 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CS[C@@H](C(C)C)C3)cc2)CC1 ZINC000488418885 502709071 /nfs/dbraw/zinc/70/90/71/502709071.db2.gz TUVJPVPKVPBHRZ-NHCUHLMSSA-N 2 1 361.599 3.444 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000477266887 502724596 /nfs/dbraw/zinc/72/45/96/502724596.db2.gz PTNBYMUIJCBGQE-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481047526 502739983 /nfs/dbraw/zinc/73/99/83/502739983.db2.gz AUKQSZANZKZVAT-CQSZACIVSA-N 2 1 367.921 3.258 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000488555300 502749554 /nfs/dbraw/zinc/74/95/54/502749554.db2.gz GCMTZVHITZOZFC-TZIWHRDSSA-N 2 1 374.573 3.315 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000470372090 502754204 /nfs/dbraw/zinc/75/42/04/502754204.db2.gz JMDSAEPZVMMFDZ-KRWDZBQOSA-N 2 1 363.505 3.452 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000470373406 502754408 /nfs/dbraw/zinc/75/44/08/502754408.db2.gz LSIIACGOCRLVBR-OALUTQOASA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000470373406 502754409 /nfs/dbraw/zinc/75/44/09/502754409.db2.gz LSIIACGOCRLVBR-OALUTQOASA-N 2 1 355.869 3.118 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473959356 502763283 /nfs/dbraw/zinc/76/32/83/502763283.db2.gz XOYGZWXXXIRTAH-RTBURBONSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165551 502770414 /nfs/dbraw/zinc/77/04/14/502770414.db2.gz JIPJHMAPJPXVLE-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165551 502770422 /nfs/dbraw/zinc/77/04/22/502770422.db2.gz JIPJHMAPJPXVLE-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000473991329 502772590 /nfs/dbraw/zinc/77/25/90/502772590.db2.gz AJRXPOKVGPQUNB-UHFFFAOYSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481186347 502777201 /nfs/dbraw/zinc/77/72/01/502777201.db2.gz FNBLEUYSXJJHDE-DENIHFKCSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481186347 502777204 /nfs/dbraw/zinc/77/72/04/502777204.db2.gz FNBLEUYSXJJHDE-DENIHFKCSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000481190422 502778460 /nfs/dbraw/zinc/77/84/60/502778460.db2.gz OOVSUUZYQFCDEB-PTUXOGIPSA-N 2 1 352.522 3.338 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991300 502794270 /nfs/dbraw/zinc/79/42/70/502794270.db2.gz WNHZQJRRZVDAIE-ILZDJORESA-N 2 1 357.542 3.317 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991300 502794273 /nfs/dbraw/zinc/79/42/73/502794273.db2.gz WNHZQJRRZVDAIE-ILZDJORESA-N 2 1 357.542 3.317 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000500657396 502833575 /nfs/dbraw/zinc/83/35/75/502833575.db2.gz WXMRDUUOLQTTLG-OALUTQOASA-N 2 1 372.557 3.012 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)CC[N@H+]2C2CC2)c1 ZINC000495407431 502835249 /nfs/dbraw/zinc/83/52/49/502835249.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407431 502835254 /nfs/dbraw/zinc/83/52/54/502835254.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407431 502835256 /nfs/dbraw/zinc/83/52/56/502835256.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407431 502835261 /nfs/dbraw/zinc/83/52/61/502835261.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407431 502835264 /nfs/dbraw/zinc/83/52/64/502835264.db2.gz IPSOXCJFLKZCQP-RGMHLJPOSA-N 2 1 355.526 3.189 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513070146 502844363 /nfs/dbraw/zinc/84/43/63/502844363.db2.gz OJYDOEBUVKAGCA-NJYVYQBISA-N 2 1 371.569 3.415 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961085 502848279 /nfs/dbraw/zinc/84/82/79/502848279.db2.gz OAAJDCHGKPVWQA-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000488961085 502848280 /nfs/dbraw/zinc/84/82/80/502848280.db2.gz OAAJDCHGKPVWQA-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000488961085 502848282 /nfs/dbraw/zinc/84/82/82/502848282.db2.gz OAAJDCHGKPVWQA-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000501025162 502915274 /nfs/dbraw/zinc/91/52/74/502915274.db2.gz YXOHGWOVJASNQB-LVCYWYKZSA-N 2 1 372.557 3.171 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCc2ccc(O)cc2C1)C1CC[NH+](C)CC1 ZINC000509531351 502927985 /nfs/dbraw/zinc/92/79/85/502927985.db2.gz CBPFDGWIOSMQIB-UHFFFAOYSA-N 2 1 365.521 3.481 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586528 502942249 /nfs/dbraw/zinc/94/22/49/502942249.db2.gz HIWVRARCKIFJFS-DLBZAZTESA-N 2 1 364.534 3.130 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)Cc2ccccc2)CC1 ZINC000505592813 502943202 /nfs/dbraw/zinc/94/32/02/502943202.db2.gz ZWEFMKQBJBRVQN-UHFFFAOYSA-N 2 1 367.537 3.477 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@H](C)C1 ZINC000497387547 502945820 /nfs/dbraw/zinc/94/58/20/502945820.db2.gz KNSFOGLUZZYYDY-GBAJDQEWSA-N 2 1 360.542 3.491 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558977 502965752 /nfs/dbraw/zinc/96/57/52/502965752.db2.gz FPXAORRATXYQSP-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558977 502965756 /nfs/dbraw/zinc/96/57/56/502965756.db2.gz FPXAORRATXYQSP-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558977 502965761 /nfs/dbraw/zinc/96/57/61/502965761.db2.gz FPXAORRATXYQSP-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558977 502965765 /nfs/dbraw/zinc/96/57/65/502965765.db2.gz FPXAORRATXYQSP-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505708762 502971033 /nfs/dbraw/zinc/97/10/33/502971033.db2.gz FMSGXCBUGNPVOK-SFTDATJTSA-N 2 1 370.541 3.099 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(CSC)cc1 ZINC000505765672 502981377 /nfs/dbraw/zinc/98/13/77/502981377.db2.gz KTDQIBVHJOQPAD-IBGZPJMESA-N 2 1 363.571 3.038 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501350939 502990769 /nfs/dbraw/zinc/99/07/69/502990769.db2.gz YKQMOZJDSSINOS-MJGOQNOKSA-N 2 1 352.567 3.061 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000513690592 503001500 /nfs/dbraw/zinc/00/15/00/503001500.db2.gz KVSJRXCOWJONAZ-YESZJQIVSA-N 2 1 353.304 3.290 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H](C)C[NH2+]1 ZINC000505875426 503003794 /nfs/dbraw/zinc/00/37/94/503003794.db2.gz WCCAGDDSLZUHQU-QZTJIDSGSA-N 2 1 351.494 3.141 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708518 503015884 /nfs/dbraw/zinc/01/58/84/503015884.db2.gz GPVSUIXIYIAEDX-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708518 503015889 /nfs/dbraw/zinc/01/58/89/503015889.db2.gz GPVSUIXIYIAEDX-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708518 503015892 /nfs/dbraw/zinc/01/58/92/503015892.db2.gz GPVSUIXIYIAEDX-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708518 503015895 /nfs/dbraw/zinc/01/58/95/503015895.db2.gz GPVSUIXIYIAEDX-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000501523900 503028690 /nfs/dbraw/zinc/02/86/90/503028690.db2.gz OTTAHUWOYGKWJP-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000501523900 503028697 /nfs/dbraw/zinc/02/86/97/503028697.db2.gz OTTAHUWOYGKWJP-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501523900 503028701 /nfs/dbraw/zinc/02/87/01/503028701.db2.gz OTTAHUWOYGKWJP-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000501531023 503030521 /nfs/dbraw/zinc/03/05/21/503030521.db2.gz KAXDTIQUQHITQY-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000501531023 503030523 /nfs/dbraw/zinc/03/05/23/503030523.db2.gz KAXDTIQUQHITQY-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501531023 503030528 /nfs/dbraw/zinc/03/05/28/503030528.db2.gz KAXDTIQUQHITQY-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000501549972 503035740 /nfs/dbraw/zinc/03/57/40/503035740.db2.gz KCYRRFQQLYNZJX-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000514008150 503066708 /nfs/dbraw/zinc/06/67/08/503066708.db2.gz BOLPGUMZUREBOL-OAQYLSRUSA-N 2 1 357.542 3.375 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856515 503094965 /nfs/dbraw/zinc/09/49/65/503094965.db2.gz JPLVJOWZOGFTQB-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000514138103 503096421 /nfs/dbraw/zinc/09/64/21/503096421.db2.gz LLGPSOKMUVAEEE-IBGZPJMESA-N 2 1 366.594 3.308 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+](CCC[NH3+])CC3CCCC3)cc2)no1 ZINC000490039987 503097599 /nfs/dbraw/zinc/09/75/99/503097599.db2.gz OJZBAWWVWBGHQO-UHFFFAOYSA-N 2 1 358.486 3.298 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186297 503108029 /nfs/dbraw/zinc/10/80/29/503108029.db2.gz JMKFPPMYGZBBOK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000514186297 503108032 /nfs/dbraw/zinc/10/80/32/503108032.db2.gz JMKFPPMYGZBBOK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000514186297 503108035 /nfs/dbraw/zinc/10/80/35/503108035.db2.gz JMKFPPMYGZBBOK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC[C@@H]1C ZINC000510510702 503129558 /nfs/dbraw/zinc/12/95/58/503129558.db2.gz IUIPOWAHUTVCMX-VJANTYMQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000510510702 503129564 /nfs/dbraw/zinc/12/95/64/503129564.db2.gz IUIPOWAHUTVCMX-VJANTYMQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCCC[C@@H]1C ZINC000510510702 503129567 /nfs/dbraw/zinc/12/95/67/503129567.db2.gz IUIPOWAHUTVCMX-VJANTYMQSA-N 2 1 364.578 3.202 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@@H]1C ZINC000498231652 503137796 /nfs/dbraw/zinc/13/77/96/503137796.db2.gz NWUXKKUAFJSMJJ-ROUUACIJSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C[C@@H]1C ZINC000498231652 503137799 /nfs/dbraw/zinc/13/77/99/503137799.db2.gz NWUXKKUAFJSMJJ-ROUUACIJSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000498231652 503137803 /nfs/dbraw/zinc/13/78/03/503137803.db2.gz NWUXKKUAFJSMJJ-ROUUACIJSA-N 2 1 360.546 3.151 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[C@@H]1C ZINC000498257774 503144404 /nfs/dbraw/zinc/14/44/04/503144404.db2.gz FAYZUIJOGTUHIN-OALUTQOASA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000498264018 503145835 /nfs/dbraw/zinc/14/58/35/503145835.db2.gz GMHNDNJTJIDJRB-XODKDNOYSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000498264018 503145840 /nfs/dbraw/zinc/14/58/40/503145840.db2.gz GMHNDNJTJIDJRB-XODKDNOYSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000498264018 503145843 /nfs/dbraw/zinc/14/58/43/503145843.db2.gz GMHNDNJTJIDJRB-XODKDNOYSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2nc3c(s2)C[C@@H](C)CC3)C[C@H](C)O1 ZINC000498351467 503164373 /nfs/dbraw/zinc/16/43/73/503164373.db2.gz CJDCDEPVXHROMT-HRCADAONSA-N 2 1 351.560 3.247 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)c2)C1 ZINC000510673223 503169552 /nfs/dbraw/zinc/16/95/52/503169552.db2.gz ZUYNTFMZFOXNLX-NJDAHSKKSA-N 2 1 355.526 3.052 20 0 FGADMP CCCNC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000514792103 503194345 /nfs/dbraw/zinc/19/43/45/503194345.db2.gz HGQSWSREVOBXGH-KRWDZBQOSA-N 2 1 351.560 3.117 20 0 FGADMP CCCNC(=O)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000514792103 503194349 /nfs/dbraw/zinc/19/43/49/503194349.db2.gz HGQSWSREVOBXGH-KRWDZBQOSA-N 2 1 351.560 3.117 20 0 FGADMP CCCNC(=O)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000514792103 503194354 /nfs/dbraw/zinc/19/43/54/503194354.db2.gz HGQSWSREVOBXGH-KRWDZBQOSA-N 2 1 351.560 3.117 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502574460 503229748 /nfs/dbraw/zinc/22/97/48/503229748.db2.gz JOZJOXBJMXIWRC-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000515046390 503258838 /nfs/dbraw/zinc/25/88/38/503258838.db2.gz PRYLMXQSJXWULP-HRAATJIYSA-N 2 1 364.493 3.117 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048217 503259522 /nfs/dbraw/zinc/25/95/22/503259522.db2.gz BZDIQTJCFKFRCA-WOJBJXKFSA-N 2 1 373.541 3.117 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837435 503273338 /nfs/dbraw/zinc/27/33/38/503273338.db2.gz LGCLPBAIIGBXBK-UYAOXDASSA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837435 503273340 /nfs/dbraw/zinc/27/33/40/503273340.db2.gz LGCLPBAIIGBXBK-UYAOXDASSA-N 2 1 364.505 3.009 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850408 503275223 /nfs/dbraw/zinc/27/52/23/503275223.db2.gz AVMNMMHVGYHCCC-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850408 503275226 /nfs/dbraw/zinc/27/52/26/503275226.db2.gz AVMNMMHVGYHCCC-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cc(C)cc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848439 503275271 /nfs/dbraw/zinc/27/52/71/503275271.db2.gz DBCXQSUIXXRZFQ-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848439 503275273 /nfs/dbraw/zinc/27/52/73/503275273.db2.gz DBCXQSUIXXRZFQ-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000502851633 503288727 /nfs/dbraw/zinc/28/87/27/503288727.db2.gz QCDLAYHJRWWJIY-UHFFFAOYSA-N 2 1 354.498 3.137 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCc2ccccc21 ZINC000502851633 503288729 /nfs/dbraw/zinc/28/87/29/503288729.db2.gz QCDLAYHJRWWJIY-UHFFFAOYSA-N 2 1 354.498 3.137 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000502874931 503296274 /nfs/dbraw/zinc/29/62/74/503296274.db2.gz BIURTEFYWFXYAF-FQEVSTJZSA-N 2 1 374.573 3.414 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415173 503297070 /nfs/dbraw/zinc/29/70/70/503297070.db2.gz UCYRSCISSPFLMV-OALUTQOASA-N 2 1 372.557 3.243 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)CC1 ZINC000502913674 503306819 /nfs/dbraw/zinc/30/68/19/503306819.db2.gz WWGTWAQLZKPFKT-LJQANCHMSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000499002416 503312407 /nfs/dbraw/zinc/31/24/07/503312407.db2.gz GHZCVUUOBGILNH-YESZJQIVSA-N 2 1 369.513 3.366 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000499002416 503312413 /nfs/dbraw/zinc/31/24/13/503312413.db2.gz GHZCVUUOBGILNH-YESZJQIVSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491558185 503319296 /nfs/dbraw/zinc/31/92/96/503319296.db2.gz FMQIFXHAYNTDIB-ZDUSSCGKSA-N 2 1 365.319 3.231 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511585474 503348830 /nfs/dbraw/zinc/34/88/30/503348830.db2.gz KXQPNADFHBODDS-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511585474 503348837 /nfs/dbraw/zinc/34/88/37/503348837.db2.gz KXQPNADFHBODDS-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511585474 503348840 /nfs/dbraw/zinc/34/88/40/503348840.db2.gz KXQPNADFHBODDS-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000511675816 503368046 /nfs/dbraw/zinc/36/80/46/503368046.db2.gz PZBCLLDCHMNUFX-UHFFFAOYSA-N 2 1 353.510 3.261 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000511675816 503368047 /nfs/dbraw/zinc/36/80/47/503368047.db2.gz PZBCLLDCHMNUFX-UHFFFAOYSA-N 2 1 353.510 3.261 20 0 FGADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000503316529 503388388 /nfs/dbraw/zinc/38/83/88/503388388.db2.gz MARVQQNFOQGCBV-HXUWFJFHSA-N 2 1 372.557 3.411 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1cccc(C[NH+](C)C)c1)CCC(F)(F)F ZINC000492937531 503395050 /nfs/dbraw/zinc/39/50/50/503395050.db2.gz PPQBGKDVUXOBEO-UHFFFAOYSA-N 2 1 360.424 3.144 20 0 FGADMP CN(CCN1CCN(Cc2ccccc2)CC1)Cc1nc(C2CC2)cs1 ZINC000511840905 503398973 /nfs/dbraw/zinc/39/89/73/503398973.db2.gz CRSPSOVRMCUSDR-UHFFFAOYSA-N 2 1 370.566 3.270 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000507945150 503402474 /nfs/dbraw/zinc/40/24/74/503402474.db2.gz PDSMUDCPCQUCQV-RMJJICAUSA-N 2 1 373.541 3.210 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+]2CCC)CC1 ZINC000511900085 503410984 /nfs/dbraw/zinc/41/09/84/503410984.db2.gz CXPUAASTVGVBLF-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000511900085 503410985 /nfs/dbraw/zinc/41/09/85/503410985.db2.gz CXPUAASTVGVBLF-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000511900085 503410987 /nfs/dbraw/zinc/41/09/87/503410987.db2.gz CXPUAASTVGVBLF-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)(F)F)c1 ZINC000499523104 503424792 /nfs/dbraw/zinc/42/47/92/503424792.db2.gz YVUFMWYHEVRALK-KRWDZBQOSA-N 2 1 371.447 3.194 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050611 503444152 /nfs/dbraw/zinc/44/41/52/503444152.db2.gz DGYKLKUBAFDEKY-RTWAWAEBSA-N 2 1 350.462 3.405 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050611 503444153 /nfs/dbraw/zinc/44/41/53/503444153.db2.gz DGYKLKUBAFDEKY-RTWAWAEBSA-N 2 1 350.462 3.405 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000508197496 503451129 /nfs/dbraw/zinc/45/11/29/503451129.db2.gz CRELWYPGCXSAST-NRFANRHFSA-N 2 1 357.542 3.423 20 0 FGADMP COc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC(F)F ZINC000512085148 503453958 /nfs/dbraw/zinc/45/39/58/503453958.db2.gz SWXLLTHTVFMPJJ-UHFFFAOYSA-N 2 1 371.453 3.147 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CCCC2)CC1 ZINC000493977534 503468514 /nfs/dbraw/zinc/46/85/14/503468514.db2.gz OFSPNXHCPSWRRN-VAMGGRTRSA-N 2 1 362.558 3.347 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(CNC[C@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000512148410 503469564 /nfs/dbraw/zinc/46/95/64/503469564.db2.gz WYODJIHCYSAKER-CQSZACIVSA-N 2 1 364.415 3.465 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cn2)cc1 ZINC000512148410 503469568 /nfs/dbraw/zinc/46/95/68/503469568.db2.gz WYODJIHCYSAKER-CQSZACIVSA-N 2 1 364.415 3.465 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000512148410 503469572 /nfs/dbraw/zinc/46/95/72/503469572.db2.gz WYODJIHCYSAKER-CQSZACIVSA-N 2 1 364.415 3.465 20 0 FGADMP CCC(CC)(CNC(=O)N1CCC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503795768 503472855 /nfs/dbraw/zinc/47/28/55/503472855.db2.gz SRASMCPQXONUSH-SFHVURJKSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508365757 503482933 /nfs/dbraw/zinc/48/29/33/503482933.db2.gz CUMDAIZNZBTLFI-JTOWHCCKSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508365757 503482937 /nfs/dbraw/zinc/48/29/37/503482937.db2.gz CUMDAIZNZBTLFI-JTOWHCCKSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494079379 503483942 /nfs/dbraw/zinc/48/39/42/503483942.db2.gz NPBPQKZLJZVOMN-KAGYGMCKSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494248353 503511966 /nfs/dbraw/zinc/51/19/66/503511966.db2.gz QXZCYDYCCWUGFY-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494248353 503511974 /nfs/dbraw/zinc/51/19/74/503511974.db2.gz QXZCYDYCCWUGFY-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000494248353 503511981 /nfs/dbraw/zinc/51/19/81/503511981.db2.gz QXZCYDYCCWUGFY-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326209 503525532 /nfs/dbraw/zinc/52/55/32/503525532.db2.gz GLMMJXRNJQEAJS-DYESRHJHSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494326209 503525534 /nfs/dbraw/zinc/52/55/34/503525534.db2.gz GLMMJXRNJQEAJS-DYESRHJHSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494326209 503525536 /nfs/dbraw/zinc/52/55/36/503525536.db2.gz GLMMJXRNJQEAJS-DYESRHJHSA-N 2 1 355.526 3.304 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@@H](C)C(=O)N3CCCCC3)C2)s1 ZINC000516574249 503540706 /nfs/dbraw/zinc/54/07/06/503540706.db2.gz MKLZEZKJZVPNPA-ROUUACIJSA-N 2 1 363.571 3.211 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435494 503550166 /nfs/dbraw/zinc/55/01/66/503550166.db2.gz JDIYFCBDRDINRS-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722316 503551224 /nfs/dbraw/zinc/55/12/24/503551224.db2.gz XFLSUEJANDTLHU-IEBWSBKVSA-N 2 1 364.493 3.242 20 0 FGADMP C[C@@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722317 503551545 /nfs/dbraw/zinc/55/15/45/503551545.db2.gz XFLSUEJANDTLHU-MJGOQNOKSA-N 2 1 364.493 3.242 20 0 FGADMP C[C@H]1CCc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)sc2C1 ZINC000512469934 503563249 /nfs/dbraw/zinc/56/32/49/503563249.db2.gz UZOVRSVJUMSWMD-INIZCTEOSA-N 2 1 363.571 3.202 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000516682416 503567951 /nfs/dbraw/zinc/56/79/51/503567951.db2.gz KJNRIUQTFBNPTB-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000508856338 503579089 /nfs/dbraw/zinc/57/90/89/503579089.db2.gz AAJILIFHRWJWHH-LJQANCHMSA-N 2 1 356.514 3.020 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000494638111 503579788 /nfs/dbraw/zinc/57/97/88/503579788.db2.gz OXUWGTUJRGNDSM-UNMCSNQZSA-N 2 1 355.526 3.033 20 0 FGADMP C[N@H+](Cc1cc2c(c(Br)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542596 503580459 /nfs/dbraw/zinc/58/04/59/503580459.db2.gz RMBZBRAFAJZYBS-PBWFPOADSA-N 2 1 367.287 3.235 20 0 FGADMP C[N@@H+](Cc1cc2c(c(Br)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542596 503580461 /nfs/dbraw/zinc/58/04/61/503580461.db2.gz RMBZBRAFAJZYBS-PBWFPOADSA-N 2 1 367.287 3.235 20 0 FGADMP C[NH+](Cc1cc2c(c(Br)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512542596 503580464 /nfs/dbraw/zinc/58/04/64/503580464.db2.gz RMBZBRAFAJZYBS-PBWFPOADSA-N 2 1 367.287 3.235 20 0 FGADMP C[NH+](Cc1cc2c(c(Br)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512542596 503580467 /nfs/dbraw/zinc/58/04/67/503580467.db2.gz RMBZBRAFAJZYBS-PBWFPOADSA-N 2 1 367.287 3.235 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500253425 503589345 /nfs/dbraw/zinc/58/93/45/503589345.db2.gz YRYRIWOEJZFDFZ-OALUTQOASA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000500440571 503625466 /nfs/dbraw/zinc/62/54/66/503625466.db2.gz WJKLBYUXNRRGAE-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494890984 503630692 /nfs/dbraw/zinc/63/06/92/503630692.db2.gz OREUHRRJHIGNQN-FUHIMQAGSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517019813 503645807 /nfs/dbraw/zinc/64/58/07/503645807.db2.gz PRWJFNZIZCPXBC-UYAOXDASSA-N 2 1 372.557 3.248 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)[nH+]c1 ZINC000495061069 503654318 /nfs/dbraw/zinc/65/43/18/503654318.db2.gz BNRCWPWZKBJIRC-QGZVFWFLSA-N 2 1 366.509 3.411 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054895 503655217 /nfs/dbraw/zinc/65/52/17/503655217.db2.gz CYZPQKBAQRPEJT-CVEARBPZSA-N 2 1 357.420 3.428 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054895 503655218 /nfs/dbraw/zinc/65/52/18/503655218.db2.gz CYZPQKBAQRPEJT-CVEARBPZSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054895 503655221 /nfs/dbraw/zinc/65/52/21/503655221.db2.gz CYZPQKBAQRPEJT-CVEARBPZSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054895 503655225 /nfs/dbraw/zinc/65/52/25/503655225.db2.gz CYZPQKBAQRPEJT-CVEARBPZSA-N 2 1 357.420 3.428 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCOC3(CCCC3)C2)CC1 ZINC000536658940 503663190 /nfs/dbraw/zinc/66/31/90/503663190.db2.gz VZOVOLSDQSHCTG-UHFFFAOYSA-N 2 1 357.542 3.364 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)[nH+]1 ZINC000495087320 503663754 /nfs/dbraw/zinc/66/37/54/503663754.db2.gz SPTMFNOXGIKPGK-KRWDZBQOSA-N 2 1 366.509 3.411 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)CC1 ZINC000536663819 503667652 /nfs/dbraw/zinc/66/76/52/503667652.db2.gz WXGSGHBPHGAXPW-UHFFFAOYSA-N 2 1 373.570 3.129 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000532949919 503670951 /nfs/dbraw/zinc/67/09/51/503670951.db2.gz NANVNPGKHNLWSJ-UHFFFAOYSA-N 2 1 353.457 3.346 20 0 FGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543245293 503696316 /nfs/dbraw/zinc/69/63/16/503696316.db2.gz BTPGQAYTADNRRC-QMMLZNLJSA-N 2 1 357.542 3.300 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)cc1 ZINC000540180709 503698844 /nfs/dbraw/zinc/69/88/44/503698844.db2.gz BGFGVYYLNXSJLB-FNHZYXHNSA-N 2 1 361.511 3.187 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000536736144 503704232 /nfs/dbraw/zinc/70/42/32/503704232.db2.gz ADIGWVATXUKVPD-HXUWFJFHSA-N 2 1 361.505 3.186 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000536736144 503704237 /nfs/dbraw/zinc/70/42/37/503704237.db2.gz ADIGWVATXUKVPD-HXUWFJFHSA-N 2 1 361.505 3.186 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1)CC(C)C ZINC000536927760 503762863 /nfs/dbraw/zinc/76/28/63/503762863.db2.gz UTOYCYXPPRVLHL-OALUTQOASA-N 2 1 351.579 3.466 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000517601027 503783411 /nfs/dbraw/zinc/78/34/11/503783411.db2.gz OMRJVXMJYCJCLR-OAQYLSRUSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000517601027 503783416 /nfs/dbraw/zinc/78/34/16/503783416.db2.gz OMRJVXMJYCJCLR-OAQYLSRUSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000517601027 503783417 /nfs/dbraw/zinc/78/34/17/503783417.db2.gz OMRJVXMJYCJCLR-OAQYLSRUSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000517601027 503783421 /nfs/dbraw/zinc/78/34/21/503783421.db2.gz OMRJVXMJYCJCLR-OAQYLSRUSA-N 2 1 372.465 3.146 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000517651962 503796898 /nfs/dbraw/zinc/79/68/98/503796898.db2.gz WCPIEAUKUUNTCK-KBPBESRZSA-N 2 1 370.419 3.141 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740753 503823608 /nfs/dbraw/zinc/82/36/08/503823608.db2.gz UDKILFNUKSPVKV-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546653941 503825492 /nfs/dbraw/zinc/82/54/92/503825492.db2.gz FLVLNTGAUIYJMC-YLJYHZDGSA-N 2 1 373.566 3.353 20 0 FGADMP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000527530501 503826581 /nfs/dbraw/zinc/82/65/81/503826581.db2.gz FGAOPFDPOTUDPX-LJQANCHMSA-N 2 1 365.456 3.018 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000543674755 503848364 /nfs/dbraw/zinc/84/83/64/503848364.db2.gz KUJWKCBKWUXSLG-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293536 503871708 /nfs/dbraw/zinc/87/17/08/503871708.db2.gz WAKVCMYSRBYSSS-KGLIPLIRSA-N 2 1 363.889 3.324 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293536 503871709 /nfs/dbraw/zinc/87/17/09/503871709.db2.gz WAKVCMYSRBYSSS-KGLIPLIRSA-N 2 1 363.889 3.324 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000527654568 503878298 /nfs/dbraw/zinc/87/82/98/503878298.db2.gz RZCUYFHIDBVNLO-UHFFFAOYSA-N 2 1 355.511 3.285 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2csc(-c3cnn(C)c3)n2)c1 ZINC000527654568 503878302 /nfs/dbraw/zinc/87/83/02/503878302.db2.gz RZCUYFHIDBVNLO-UHFFFAOYSA-N 2 1 355.511 3.285 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000527675861 503890181 /nfs/dbraw/zinc/89/01/81/503890181.db2.gz PLQOCXNVTNAYDH-NRFANRHFSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000527675861 503890182 /nfs/dbraw/zinc/89/01/82/503890182.db2.gz PLQOCXNVTNAYDH-NRFANRHFSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527675861 503890183 /nfs/dbraw/zinc/89/01/83/503890183.db2.gz PLQOCXNVTNAYDH-NRFANRHFSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N1CC[N@@H+](C)CC13CCCCC3)CC2 ZINC000530286619 503909788 /nfs/dbraw/zinc/90/97/88/503909788.db2.gz IGWDWDXMAQELLN-MRXNPFEDSA-N 2 1 358.530 3.115 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[N@H+](C)CC13CCCCC3)C2 ZINC000530286619 503909794 /nfs/dbraw/zinc/90/97/94/503909794.db2.gz IGWDWDXMAQELLN-MRXNPFEDSA-N 2 1 358.530 3.115 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CC[N@@H+](C)CC13CCCCC3)C2 ZINC000530286619 503909799 /nfs/dbraw/zinc/90/97/99/503909799.db2.gz IGWDWDXMAQELLN-MRXNPFEDSA-N 2 1 358.530 3.115 20 0 FGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000530354909 503935840 /nfs/dbraw/zinc/93/58/40/503935840.db2.gz FLEHOJQUSRHYOG-CRAIPNDOSA-N 2 1 361.461 3.400 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362218 503962932 /nfs/dbraw/zinc/96/29/32/503962932.db2.gz KNSHSRYKPAAMRW-IEBWSBKVSA-N 2 1 368.949 3.175 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829889 503963044 /nfs/dbraw/zinc/96/30/44/503963044.db2.gz CCOUEXUAHVOLJL-HKBOAZHASA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829889 503963049 /nfs/dbraw/zinc/96/30/49/503963049.db2.gz CCOUEXUAHVOLJL-HKBOAZHASA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)[C@@H]1c1ccccc1 ZINC000527829889 503963053 /nfs/dbraw/zinc/96/30/53/503963053.db2.gz CCOUEXUAHVOLJL-HKBOAZHASA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000518457682 503990692 /nfs/dbraw/zinc/99/06/92/503990692.db2.gz IWSUUKPWHKPROZ-JBYIUTFZSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000518457682 503990696 /nfs/dbraw/zinc/99/06/96/503990696.db2.gz IWSUUKPWHKPROZ-JBYIUTFZSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000518457681 503990829 /nfs/dbraw/zinc/99/08/29/503990829.db2.gz IWSUUKPWHKPROZ-HMFYCAOWSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000518457681 503990830 /nfs/dbraw/zinc/99/08/30/503990830.db2.gz IWSUUKPWHKPROZ-HMFYCAOWSA-N 2 1 357.542 3.060 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000537660015 503997024 /nfs/dbraw/zinc/99/70/24/503997024.db2.gz ZRRFXKALUUJRKK-OAQYLSRUSA-N 2 1 371.569 3.391 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)nc(C)[nH+]1 ZINC000530545624 504004368 /nfs/dbraw/zinc/00/43/68/504004368.db2.gz AFHYXPPSUFJJEU-YSIASYRMSA-N 2 1 358.530 3.247 20 0 FGADMP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697864 504009291 /nfs/dbraw/zinc/00/92/91/504009291.db2.gz PGDXGEXOVUWRTE-ICSRJNTNSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697864 504009292 /nfs/dbraw/zinc/00/92/92/504009292.db2.gz PGDXGEXOVUWRTE-ICSRJNTNSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000537697864 504009293 /nfs/dbraw/zinc/00/92/93/504009293.db2.gz PGDXGEXOVUWRTE-ICSRJNTNSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000537697864 504009294 /nfs/dbraw/zinc/00/92/94/504009294.db2.gz PGDXGEXOVUWRTE-ICSRJNTNSA-N 2 1 374.525 3.169 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br)C[NH+]1CCCC1 ZINC000534060177 504029444 /nfs/dbraw/zinc/02/94/44/504029444.db2.gz ZXCUESFKRRIDFU-BLLLJJGKSA-N 2 1 373.722 3.136 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662918 504043947 /nfs/dbraw/zinc/04/39/47/504043947.db2.gz RAYZYMXYJMXKDJ-JRGCBEDISA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662918 504043948 /nfs/dbraw/zinc/04/39/48/504043948.db2.gz RAYZYMXYJMXKDJ-JRGCBEDISA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@H]1C ZINC000530662918 504043953 /nfs/dbraw/zinc/04/39/53/504043953.db2.gz RAYZYMXYJMXKDJ-JRGCBEDISA-N 2 1 356.510 3.384 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198604 504045327 /nfs/dbraw/zinc/04/53/27/504045327.db2.gz PUROTBXHHWHBIF-IEBWSBKVSA-N 2 1 372.557 3.484 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC000518794747 504066749 /nfs/dbraw/zinc/06/67/49/504066749.db2.gz NWQLJIDJARSCHG-KRWDZBQOSA-N 2 1 363.571 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)s1 ZINC000518794747 504066755 /nfs/dbraw/zinc/06/67/55/504066755.db2.gz NWQLJIDJARSCHG-KRWDZBQOSA-N 2 1 363.571 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)s1 ZINC000518794747 504066759 /nfs/dbraw/zinc/06/67/59/504066759.db2.gz NWQLJIDJARSCHG-KRWDZBQOSA-N 2 1 363.571 3.069 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286222 504073601 /nfs/dbraw/zinc/07/36/01/504073601.db2.gz IPJIXKLKHJSABN-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000547367971 504078553 /nfs/dbraw/zinc/07/85/53/504078553.db2.gz YFTAGQFMSWSJDJ-ZWKOTPCHSA-N 2 1 371.525 3.163 20 0 FGADMP Oc1ccc2c(c1)C[NH+](CCCC[N@@H+]1CCc3ccc(O)cc3C1)CC2 ZINC000534273342 504091318 /nfs/dbraw/zinc/09/13/18/504091318.db2.gz MNWDZXSBKJIENF-UHFFFAOYSA-N 2 1 352.478 3.294 20 0 FGADMP CNC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519032478 504122751 /nfs/dbraw/zinc/12/27/51/504122751.db2.gz NFMZDRYOOYMABF-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519032478 504122756 /nfs/dbraw/zinc/12/27/56/504122756.db2.gz NFMZDRYOOYMABF-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519032478 504122764 /nfs/dbraw/zinc/12/27/64/504122764.db2.gz NFMZDRYOOYMABF-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519032478 504122769 /nfs/dbraw/zinc/12/27/69/504122769.db2.gz NFMZDRYOOYMABF-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3ccncc3)cc2)C[C@H]1C ZINC000538122691 504136208 /nfs/dbraw/zinc/13/62/08/504136208.db2.gz MSJZLSPANSJIMX-KDURUIRLSA-N 2 1 353.510 3.381 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000519147079 504150574 /nfs/dbraw/zinc/15/05/74/504150574.db2.gz BATQNIQBKKHWIJ-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC(=O)Nc4ccccc43)CC2)nc(C)[nH+]1 ZINC000541545391 504171849 /nfs/dbraw/zinc/17/18/49/504171849.db2.gz MJJWLFMMUVIPCM-LJQANCHMSA-N 2 1 365.481 3.125 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261446 504180384 /nfs/dbraw/zinc/18/03/84/504180384.db2.gz UQLHPLXKJRYFST-QUCCMNQESA-N 2 1 357.542 3.439 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000531101644 504189332 /nfs/dbraw/zinc/18/93/32/504189332.db2.gz UREOESKOJQRJES-HNNXBMFYSA-N 2 1 350.890 3.275 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534811701 504248523 /nfs/dbraw/zinc/24/85/23/504248523.db2.gz YUELZSUJPOQLIX-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534811701 504248527 /nfs/dbraw/zinc/24/85/27/504248527.db2.gz YUELZSUJPOQLIX-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000519580960 504260864 /nfs/dbraw/zinc/26/08/64/504260864.db2.gz UCVOFGQCVPFZNO-WMZHIEFXSA-N 2 1 352.522 3.448 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C4CCCC4)C3)CC2)CC1 ZINC000519655155 504291785 /nfs/dbraw/zinc/29/17/85/504291785.db2.gz UAFJYEQZFQXHPT-HXUWFJFHSA-N 2 1 361.574 3.221 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)c(Cl)cc2F)CC1 ZINC000535010578 504312739 /nfs/dbraw/zinc/31/27/39/504312739.db2.gz YBHKUOUMQGMUJQ-UHFFFAOYSA-N 2 1 366.799 3.017 20 0 FGADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000548061596 504315462 /nfs/dbraw/zinc/31/54/62/504315462.db2.gz VGNARNSWVLNKFE-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000548061596 504315468 /nfs/dbraw/zinc/31/54/68/504315468.db2.gz VGNARNSWVLNKFE-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000548061596 504315475 /nfs/dbraw/zinc/31/54/75/504315475.db2.gz VGNARNSWVLNKFE-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722607 504344959 /nfs/dbraw/zinc/34/49/59/504344959.db2.gz AASRNKIPBXHRSA-HNNXBMFYSA-N 2 1 374.481 3.392 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722607 504344965 /nfs/dbraw/zinc/34/49/65/504344965.db2.gz AASRNKIPBXHRSA-HNNXBMFYSA-N 2 1 374.481 3.392 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722607 504344969 /nfs/dbraw/zinc/34/49/69/504344969.db2.gz AASRNKIPBXHRSA-HNNXBMFYSA-N 2 1 374.481 3.392 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722607 504344974 /nfs/dbraw/zinc/34/49/74/504344974.db2.gz AASRNKIPBXHRSA-HNNXBMFYSA-N 2 1 374.481 3.392 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996317 504396842 /nfs/dbraw/zinc/39/68/42/504396842.db2.gz YYPJAFZACMVKCN-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996317 504396845 /nfs/dbraw/zinc/39/68/45/504396845.db2.gz YYPJAFZACMVKCN-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000519996317 504396853 /nfs/dbraw/zinc/39/68/53/504396853.db2.gz YYPJAFZACMVKCN-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000520123177 504415401 /nfs/dbraw/zinc/41/54/01/504415401.db2.gz HCBNTWRFOWOWIE-NRFANRHFSA-N 2 1 369.484 3.209 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1)CC1CC1 ZINC000538948506 504427102 /nfs/dbraw/zinc/42/71/02/504427102.db2.gz BJNLHBOCRCYTJW-UHFFFAOYSA-N 2 1 373.541 3.468 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2ccc(OC)cc2)CC1)CC1CC1 ZINC000538948506 504427106 /nfs/dbraw/zinc/42/71/06/504427106.db2.gz BJNLHBOCRCYTJW-UHFFFAOYSA-N 2 1 373.541 3.468 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000531804751 504430700 /nfs/dbraw/zinc/43/07/00/504430700.db2.gz SKEPVQTWRMATBC-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804751 504430703 /nfs/dbraw/zinc/43/07/03/504430703.db2.gz SKEPVQTWRMATBC-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804751 504430709 /nfs/dbraw/zinc/43/07/09/504430709.db2.gz SKEPVQTWRMATBC-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP CN(C(=O)[C@H]1CCCC12CC2)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000528892676 504436501 /nfs/dbraw/zinc/43/65/01/504436501.db2.gz IDJSKCNZIBWEFO-AQNXPRMDSA-N 2 1 361.574 3.362 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226420 504440517 /nfs/dbraw/zinc/44/05/17/504440517.db2.gz QNPKFIPBRAHSMT-UXHICEINSA-N 2 1 355.526 3.133 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242380 504443948 /nfs/dbraw/zinc/44/39/48/504443948.db2.gz LDBWXVXNMDBQRJ-IEBWSBKVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520242380 504443954 /nfs/dbraw/zinc/44/39/54/504443954.db2.gz LDBWXVXNMDBQRJ-IEBWSBKVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520242380 504443957 /nfs/dbraw/zinc/44/39/57/504443957.db2.gz LDBWXVXNMDBQRJ-IEBWSBKVSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000539079145 504465649 /nfs/dbraw/zinc/46/56/49/504465649.db2.gz JBSITVWKCCKCQY-HIFRSBDPSA-N 2 1 368.319 3.016 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378584 504482593 /nfs/dbraw/zinc/48/25/93/504482593.db2.gz JRPRCORTCBCAJY-VQTJNVASSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000520378584 504482598 /nfs/dbraw/zinc/48/25/98/504482598.db2.gz JRPRCORTCBCAJY-VQTJNVASSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000520378584 504482602 /nfs/dbraw/zinc/48/26/02/504482602.db2.gz JRPRCORTCBCAJY-VQTJNVASSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435840 504489370 /nfs/dbraw/zinc/48/93/70/504489370.db2.gz PGVXHTKMUPTWQO-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405813 504490895 /nfs/dbraw/zinc/49/08/95/504490895.db2.gz YHRNXXMZAXTCLL-NJYVYQBISA-N 2 1 369.553 3.420 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405813 504490901 /nfs/dbraw/zinc/49/09/01/504490901.db2.gz YHRNXXMZAXTCLL-NJYVYQBISA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980118 504493721 /nfs/dbraw/zinc/49/37/21/504493721.db2.gz QBXCHHFJUAFAPR-BFYDXBDKSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980118 504493724 /nfs/dbraw/zinc/49/37/24/504493724.db2.gz QBXCHHFJUAFAPR-BFYDXBDKSA-N 2 1 351.922 3.149 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000535668757 504501070 /nfs/dbraw/zinc/50/10/70/504501070.db2.gz ZRLARJNTVHXYLJ-IRXDYDNUSA-N 2 1 354.281 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000535668757 504501074 /nfs/dbraw/zinc/50/10/74/504501074.db2.gz ZRLARJNTVHXYLJ-IRXDYDNUSA-N 2 1 354.281 3.479 20 0 FGADMP CC[NH+]1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539294396 504521737 /nfs/dbraw/zinc/52/17/37/504521737.db2.gz CYVCTJWLJVSNHJ-BGYRXZFFSA-N 3 1 373.585 3.270 20 0 FGADMP CCN1CCC([NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539294396 504521741 /nfs/dbraw/zinc/52/17/41/504521741.db2.gz CYVCTJWLJVSNHJ-BGYRXZFFSA-N 2 1 373.585 3.270 20 0 FGADMP CCN1CCC([NH2+]CCc2ccc(OCC[N@H+]3C[C@H](C)[C@H](C)C3)cc2)CC1 ZINC000539294396 504521744 /nfs/dbraw/zinc/52/17/44/504521744.db2.gz CYVCTJWLJVSNHJ-BGYRXZFFSA-N 2 1 373.585 3.270 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3c[nH]nc3-c3ccsc3)CC2)nc(C)[nH+]1 ZINC000548690269 504529336 /nfs/dbraw/zinc/52/93/36/504529336.db2.gz NLTICURJIDDSGR-UHFFFAOYSA-N 2 1 368.510 3.304 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749661 504529481 /nfs/dbraw/zinc/52/94/81/504529481.db2.gz DGNYETDWKVSMPM-SVFBPWRDSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749661 504529487 /nfs/dbraw/zinc/52/94/87/504529487.db2.gz DGNYETDWKVSMPM-SVFBPWRDSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000535749661 504529489 /nfs/dbraw/zinc/52/94/89/504529489.db2.gz DGNYETDWKVSMPM-SVFBPWRDSA-N 2 1 372.557 3.021 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCC1 ZINC000539365068 504541864 /nfs/dbraw/zinc/54/18/64/504541864.db2.gz JHGWVCBSOUOHMT-UYAOXDASSA-N 2 1 357.542 3.439 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639561 504547008 /nfs/dbraw/zinc/54/70/08/504547008.db2.gz FTRFCJOCIZHNFB-UYAOXDASSA-N 2 1 366.509 3.361 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639561 504547015 /nfs/dbraw/zinc/54/70/15/504547015.db2.gz FTRFCJOCIZHNFB-UYAOXDASSA-N 2 1 366.509 3.361 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C)c1Cl ZINC000535860161 504565552 /nfs/dbraw/zinc/56/55/52/504565552.db2.gz DDWUYCBGFYJPRI-MRXNPFEDSA-N 2 1 351.922 3.137 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1 ZINC000532192750 504568159 /nfs/dbraw/zinc/56/81/59/504568159.db2.gz JCADJRMSIQXMOY-MRXNPFEDSA-N 2 1 366.465 3.452 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CC3CC3)C(C)C)CC2)cc1 ZINC000539454258 504576927 /nfs/dbraw/zinc/57/69/27/504576927.db2.gz UUVNDPJPEZHFTB-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC3CC3)C(C)C)CC2)cc1 ZINC000539454258 504576932 /nfs/dbraw/zinc/57/69/32/504576932.db2.gz UUVNDPJPEZHFTB-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](CC3CC3)C(C)C)CC2)cc1 ZINC000539454258 504576939 /nfs/dbraw/zinc/57/69/39/504576939.db2.gz UUVNDPJPEZHFTB-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535939327 504588082 /nfs/dbraw/zinc/58/80/82/504588082.db2.gz XONXZKXTZYXOFA-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499898 504591313 /nfs/dbraw/zinc/59/13/13/504591313.db2.gz MVXWTLMGRCOVLG-YADHBBJMSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542782863 504608601 /nfs/dbraw/zinc/60/86/01/504608601.db2.gz FPCNDEMXBIEJMF-SFHVURJKSA-N 2 1 354.494 3.060 20 0 FGADMP CCOc1ccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000520930598 504611618 /nfs/dbraw/zinc/61/16/18/504611618.db2.gz DAGLNJQFWRGZKS-IBGZPJMESA-N 2 1 359.539 3.225 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529290690 504621693 /nfs/dbraw/zinc/62/16/93/504621693.db2.gz VHXZWLIWWGVHLN-PXNSSMCTSA-N 2 1 370.541 3.002 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532473528 504662701 /nfs/dbraw/zinc/66/27/01/504662701.db2.gz DIAFXLCZVWOFOV-UHFFFAOYSA-N 2 1 365.525 3.008 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532520309 504680944 /nfs/dbraw/zinc/68/09/44/504680944.db2.gz OSGOOODUGSCHTN-NQIIRXRSSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532520309 504680947 /nfs/dbraw/zinc/68/09/47/504680947.db2.gz OSGOOODUGSCHTN-NQIIRXRSSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000539825904 504706483 /nfs/dbraw/zinc/70/64/83/504706483.db2.gz VYJVWDNHUHAFHI-QGZVFWFLSA-N 2 1 355.530 3.445 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(-c2ccoc2)c1 ZINC000536361084 504709573 /nfs/dbraw/zinc/70/95/73/504709573.db2.gz NTCNTIPBEGQTSK-OAQYLSRUSA-N 2 1 369.509 3.435 20 0 FGADMP CC[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208233 504724510 /nfs/dbraw/zinc/72/45/10/504724510.db2.gz UDLKMMRRDPPHIK-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208233 504724512 /nfs/dbraw/zinc/72/45/12/504724512.db2.gz UDLKMMRRDPPHIK-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208233 504724516 /nfs/dbraw/zinc/72/45/16/504724516.db2.gz UDLKMMRRDPPHIK-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900370 504735494 /nfs/dbraw/zinc/73/54/94/504735494.db2.gz XTOLLSQWWYASRI-DYXWJJEUSA-N 2 1 358.526 3.474 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900370 504735497 /nfs/dbraw/zinc/73/54/97/504735497.db2.gz XTOLLSQWWYASRI-DYXWJJEUSA-N 2 1 358.526 3.474 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000565033593 504776962 /nfs/dbraw/zinc/77/69/62/504776962.db2.gz BSBYJAPGNYUKRL-HDICACEKSA-N 2 1 357.542 3.221 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000565047132 504780263 /nfs/dbraw/zinc/78/02/63/504780263.db2.gz NMXAFCAVNAOTLH-UNMCSNQZSA-N 2 1 367.537 3.191 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556050926 504786796 /nfs/dbraw/zinc/78/67/96/504786796.db2.gz QNENBUMGKXGHCK-WOJBJXKFSA-N 2 1 352.478 3.425 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556050926 504786798 /nfs/dbraw/zinc/78/67/98/504786798.db2.gz QNENBUMGKXGHCK-WOJBJXKFSA-N 2 1 352.478 3.425 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000556104795 504797743 /nfs/dbraw/zinc/79/77/43/504797743.db2.gz LDJHIQACLMXXKT-LRSLUSHPSA-N 2 1 357.542 3.055 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000556104795 504797747 /nfs/dbraw/zinc/79/77/47/504797747.db2.gz LDJHIQACLMXXKT-LRSLUSHPSA-N 2 1 357.542 3.055 20 0 FGADMP CC[N@H+]1CCN(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC000552984912 504798801 /nfs/dbraw/zinc/79/88/01/504798801.db2.gz MBNYSQWGBXTNKC-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC000552984912 504798805 /nfs/dbraw/zinc/79/88/05/504798805.db2.gz MBNYSQWGBXTNKC-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H](C)C1 ZINC000552984912 504798808 /nfs/dbraw/zinc/79/88/08/504798808.db2.gz MBNYSQWGBXTNKC-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP COc1ccccc1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000553009436 504803725 /nfs/dbraw/zinc/80/37/25/504803725.db2.gz MZIICXCJVCEZOY-YLJYHZDGSA-N 2 1 354.494 3.470 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000556202818 504819587 /nfs/dbraw/zinc/81/95/87/504819587.db2.gz DAHPAWSHHLOINU-FYZZASKESA-N 2 1 357.542 3.039 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)C3CCCCC3)CC2)CC1 ZINC000549426410 504819772 /nfs/dbraw/zinc/81/97/72/504819772.db2.gz RIDZRXBSUYXIES-IBGZPJMESA-N 2 1 363.590 3.469 20 0 FGADMP c1cc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc(-c2ccncc2)c1 ZINC000565227853 504830809 /nfs/dbraw/zinc/83/08/09/504830809.db2.gz BZJBCTMQQISKKM-JOCHJYFZSA-N 2 1 351.494 3.435 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472593 504831557 /nfs/dbraw/zinc/83/15/57/504831557.db2.gz SRALUNYUWBLFHD-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497889 504889450 /nfs/dbraw/zinc/88/94/50/504889450.db2.gz QJBHFRYFEJMOPP-ILWGZMRPSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497889 504889453 /nfs/dbraw/zinc/88/94/53/504889453.db2.gz QJBHFRYFEJMOPP-ILWGZMRPSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497889 504889458 /nfs/dbraw/zinc/88/94/58/504889458.db2.gz QJBHFRYFEJMOPP-ILWGZMRPSA-N 2 1 359.558 3.082 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861088 504919694 /nfs/dbraw/zinc/91/96/94/504919694.db2.gz XVDZJTRVHIIYFM-IRLDBZIGSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861088 504919698 /nfs/dbraw/zinc/91/96/98/504919698.db2.gz XVDZJTRVHIIYFM-IRLDBZIGSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861088 504919704 /nfs/dbraw/zinc/91/97/04/504919704.db2.gz XVDZJTRVHIIYFM-IRLDBZIGSA-N 2 1 356.485 3.183 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000562838601 504961080 /nfs/dbraw/zinc/96/10/80/504961080.db2.gz JNWYBBASZZKGDN-OALUTQOASA-N 2 1 359.445 3.199 20 0 FGADMP CC[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000565733675 504971668 /nfs/dbraw/zinc/97/16/68/504971668.db2.gz INOOTSYYRZSQQK-RXVVDRJESA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733675 504971672 /nfs/dbraw/zinc/97/16/72/504971672.db2.gz INOOTSYYRZSQQK-RXVVDRJESA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733675 504971675 /nfs/dbraw/zinc/97/16/75/504971675.db2.gz INOOTSYYRZSQQK-RXVVDRJESA-N 2 1 357.542 3.230 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000556864177 504999519 /nfs/dbraw/zinc/99/95/19/504999519.db2.gz CNUGWFUTFCUDIA-ACIOBRDBSA-N 2 1 369.553 3.278 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@@H]21 ZINC000556885977 505006982 /nfs/dbraw/zinc/00/69/82/505006982.db2.gz ROEHMXZOUOCSRN-IKGGRYGDSA-N 2 1 360.889 3.395 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000562994209 505013221 /nfs/dbraw/zinc/01/32/21/505013221.db2.gz AQLHCYTXKCZAAY-DYESRHJHSA-N 2 1 372.484 3.381 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000563047895 505033350 /nfs/dbraw/zinc/03/33/50/505033350.db2.gz JWAFBBCNUJZDDD-NHCUHLMSSA-N 2 1 357.542 3.265 20 0 FGADMP [NH3+]C[C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccccc1 ZINC000563094565 505046561 /nfs/dbraw/zinc/04/65/61/505046561.db2.gz OSEPUBHQWXYZPL-QGZVFWFLSA-N 2 1 358.511 3.200 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199085 505073682 /nfs/dbraw/zinc/07/36/82/505073682.db2.gz RHZRFKBCLAKIBZ-ROUUACIJSA-N 2 1 357.542 3.079 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199081 505073718 /nfs/dbraw/zinc/07/37/18/505073718.db2.gz RHZRFKBCLAKIBZ-MSOLQXFVSA-N 2 1 357.542 3.079 20 0 FGADMP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000566100928 505080595 /nfs/dbraw/zinc/08/05/95/505080595.db2.gz UVELWPKPMWGXRO-PGRDOPGGSA-N 2 1 365.521 3.437 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000560543231 505120874 /nfs/dbraw/zinc/12/08/74/505120874.db2.gz BGQTXQHKKUAKEA-GLFJAGTFSA-N 2 1 365.880 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000560543231 505120877 /nfs/dbraw/zinc/12/08/77/505120877.db2.gz BGQTXQHKKUAKEA-GLFJAGTFSA-N 2 1 365.880 3.047 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000566244138 505121654 /nfs/dbraw/zinc/12/16/54/505121654.db2.gz CNYQTWQGCRITQR-TYCQWZJGSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@@H]21 ZINC000566244138 505121656 /nfs/dbraw/zinc/12/16/56/505121656.db2.gz CNYQTWQGCRITQR-TYCQWZJGSA-N 2 1 365.477 3.477 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245355 505121692 /nfs/dbraw/zinc/12/16/92/505121692.db2.gz OEWBROHIMHHFCK-KBAYOESNSA-N 2 1 363.933 3.181 20 0 FGADMP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560549847 505122670 /nfs/dbraw/zinc/12/26/70/505122670.db2.gz ZIGDSWIECDCELN-KSEOMHKRSA-N 2 1 352.526 3.243 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000560601880 505139824 /nfs/dbraw/zinc/13/98/24/505139824.db2.gz LIHKSGDWKSGXGA-UHFFFAOYSA-N 2 1 351.922 3.106 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000560601880 505139826 /nfs/dbraw/zinc/13/98/26/505139826.db2.gz LIHKSGDWKSGXGA-UHFFFAOYSA-N 2 1 351.922 3.106 20 0 FGADMP Ic1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000551237683 505183595 /nfs/dbraw/zinc/18/35/95/505183595.db2.gz VEMIDUJFVMAHAK-UHFFFAOYSA-N 2 1 370.278 3.398 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@@H]3C3CCCCC3)CC2)CC1 ZINC000557627989 505186396 /nfs/dbraw/zinc/18/63/96/505186396.db2.gz NPGZNSUJMSEQOB-NHCUHLMSSA-N 2 1 361.574 3.268 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265378 505188532 /nfs/dbraw/zinc/18/85/32/505188532.db2.gz UZLQTEWMQABNCL-RTWAWAEBSA-N 2 1 358.526 3.074 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000563669615 505206126 /nfs/dbraw/zinc/20/61/26/505206126.db2.gz HZJKJBVEIZYZLC-QUCCMNQESA-N 2 1 373.541 3.275 20 0 FGADMP O=C(NC1CC1)c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000560902579 505209122 /nfs/dbraw/zinc/20/91/22/505209122.db2.gz YVSWJHBXVOJWEF-UHFFFAOYSA-N 2 1 355.526 3.466 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000554609465 505221735 /nfs/dbraw/zinc/22/17/35/505221735.db2.gz AAWHRYUEAHFLNT-IEBWSBKVSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000557837352 505242499 /nfs/dbraw/zinc/24/24/99/505242499.db2.gz LCZSKTXHWBXERF-LAUBAEHRSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000557837352 505242503 /nfs/dbraw/zinc/24/25/03/505242503.db2.gz LCZSKTXHWBXERF-LAUBAEHRSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837352 505242509 /nfs/dbraw/zinc/24/25/09/505242509.db2.gz LCZSKTXHWBXERF-LAUBAEHRSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837352 505242513 /nfs/dbraw/zinc/24/25/13/505242513.db2.gz LCZSKTXHWBXERF-LAUBAEHRSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000557837726 505242729 /nfs/dbraw/zinc/24/27/29/505242729.db2.gz WPVIWTXDCUFJAH-DENIHFKCSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837726 505242734 /nfs/dbraw/zinc/24/27/34/505242734.db2.gz WPVIWTXDCUFJAH-DENIHFKCSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837726 505242738 /nfs/dbraw/zinc/24/27/38/505242738.db2.gz WPVIWTXDCUFJAH-DENIHFKCSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000561156870 505266811 /nfs/dbraw/zinc/26/68/11/505266811.db2.gz WPAGUZMDFXNEAF-GUDVDZBRSA-N 2 1 357.542 3.123 20 0 FGADMP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000561200111 505278765 /nfs/dbraw/zinc/27/87/65/505278765.db2.gz SNYLOIFKCHJYHD-LJQANCHMSA-N 2 1 365.468 3.139 20 0 FGADMP CSc1ccc([C@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000566937247 505315601 /nfs/dbraw/zinc/31/56/01/505315601.db2.gz SAXPTKFUKMHCBR-LPHOPBHVSA-N 2 1 363.571 3.392 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cnc12 ZINC000558176196 505327567 /nfs/dbraw/zinc/32/75/67/505327567.db2.gz OZCRNGUZUJTOJH-AWEZNQCLSA-N 2 1 365.319 3.225 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cnc12 ZINC000558176196 505327571 /nfs/dbraw/zinc/32/75/71/505327571.db2.gz OZCRNGUZUJTOJH-AWEZNQCLSA-N 2 1 365.319 3.225 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117754 505329774 /nfs/dbraw/zinc/32/97/74/505329774.db2.gz MFFVRKRRQRUOBL-KSSFIOAISA-N 2 1 369.912 3.353 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117754 505329777 /nfs/dbraw/zinc/32/97/77/505329777.db2.gz MFFVRKRRQRUOBL-KSSFIOAISA-N 2 1 369.912 3.353 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000564137923 505334749 /nfs/dbraw/zinc/33/47/49/505334749.db2.gz XJUIXQDOHADGLG-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000561424510 505341605 /nfs/dbraw/zinc/34/16/05/505341605.db2.gz IXSGBGHPBHZYIZ-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261243 505346754 /nfs/dbraw/zinc/34/67/54/505346754.db2.gz ZXKDLZBJKFIGDY-UYAOXDASSA-N 2 1 361.493 3.440 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000551988395 505364166 /nfs/dbraw/zinc/36/41/66/505364166.db2.gz TZDGPJYFQYIYCH-NJAFHUGGSA-N 2 1 368.481 3.152 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000555148160 505364467 /nfs/dbraw/zinc/36/44/67/505364467.db2.gz IKJZPPMTXQEDCY-HBFSDRIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000555148160 505364469 /nfs/dbraw/zinc/36/44/69/505364469.db2.gz IKJZPPMTXQEDCY-HBFSDRIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000555148160 505364471 /nfs/dbraw/zinc/36/44/71/505364471.db2.gz IKJZPPMTXQEDCY-HBFSDRIKSA-N 2 1 360.546 3.242 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC(F)F ZINC000552044759 505380435 /nfs/dbraw/zinc/38/04/35/505380435.db2.gz LYUNGIDWOIJOAR-BZUAXINKSA-N 2 1 354.441 3.302 20 0 FGADMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054194 505383485 /nfs/dbraw/zinc/38/34/85/505383485.db2.gz NSEWAOBLBRQLCB-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000552071562 505390704 /nfs/dbraw/zinc/39/07/04/505390704.db2.gz OROLSEWBDYTXOB-DZGCQCFKSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000552071562 505390706 /nfs/dbraw/zinc/39/07/06/505390706.db2.gz OROLSEWBDYTXOB-DZGCQCFKSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552071562 505390709 /nfs/dbraw/zinc/39/07/09/505390709.db2.gz OROLSEWBDYTXOB-DZGCQCFKSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000552071562 505390711 /nfs/dbraw/zinc/39/07/11/505390711.db2.gz OROLSEWBDYTXOB-DZGCQCFKSA-N 2 1 360.454 3.143 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000558600324 505435448 /nfs/dbraw/zinc/43/54/48/505435448.db2.gz VEFURZXGJUQMCS-LJQANCHMSA-N 2 1 374.573 3.113 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1CCCCC1 ZINC000567370187 505443850 /nfs/dbraw/zinc/44/38/50/505443850.db2.gz QHFLJXQIYFBWFG-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000567386872 505447930 /nfs/dbraw/zinc/44/79/30/505447930.db2.gz LKGLIEQXQBOPSW-KVPLUYHFSA-N 2 1 365.521 3.337 20 0 FGADMP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000561974726 505482421 /nfs/dbraw/zinc/48/24/21/505482421.db2.gz DJWCNKHHYUDMQK-OAHLLOKOSA-N 2 1 354.441 3.460 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@H+]1CCCC[C@@H]1C ZINC000567515843 505485414 /nfs/dbraw/zinc/48/54/14/505485414.db2.gz DISSCYYAJLERAC-QGWWYQLQSA-N 2 1 363.933 3.022 20 0 FGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000552443883 505493430 /nfs/dbraw/zinc/49/34/30/505493430.db2.gz FIDAGTGFDDQQOE-JOCHJYFZSA-N 2 1 359.558 3.464 20 0 FGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567608923 505512923 /nfs/dbraw/zinc/51/29/23/505512923.db2.gz URWIDIHDQSROQN-SFTDATJTSA-N 2 1 357.542 3.455 20 0 FGADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000562090175 505515018 /nfs/dbraw/zinc/51/50/18/505515018.db2.gz COKXRGCKGBYKOR-WWDZGPRUSA-N 2 1 371.525 3.304 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000562090175 505515023 /nfs/dbraw/zinc/51/50/23/505515023.db2.gz COKXRGCKGBYKOR-WWDZGPRUSA-N 2 1 371.525 3.304 20 0 FGADMP C[C@@H]1C[N@@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000564789355 505521108 /nfs/dbraw/zinc/52/11/08/505521108.db2.gz ABJYMYCBVGXUHW-KNQAVFIVSA-N 2 1 357.586 3.484 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000567647629 505524611 /nfs/dbraw/zinc/52/46/11/505524611.db2.gz BZDBJVOXRLIOAQ-YESZJQIVSA-N 2 1 356.514 3.440 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)c2cc1C ZINC000567678577 505533335 /nfs/dbraw/zinc/53/33/35/505533335.db2.gz WOJSZYSZXZHJQO-FXAWDEMLSA-N 2 1 372.557 3.116 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000567710891 505545938 /nfs/dbraw/zinc/54/59/38/505545938.db2.gz UXTNRFPKVOAJRW-CYBMUJFWSA-N 2 1 366.303 3.018 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccccc1 ZINC000567734361 505552513 /nfs/dbraw/zinc/55/25/13/505552513.db2.gz FBLVDHNJMHLQNR-VQTJNVASSA-N 2 1 352.478 3.316 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCc1ccccc1 ZINC000567734361 505552516 /nfs/dbraw/zinc/55/25/16/505552516.db2.gz FBLVDHNJMHLQNR-VQTJNVASSA-N 2 1 352.478 3.316 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000564987739 505565860 /nfs/dbraw/zinc/56/58/60/505565860.db2.gz HWXLQXUEUYWYHN-TZOBPFOUSA-N 2 1 365.521 3.465 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000567847127 505568019 /nfs/dbraw/zinc/56/80/19/505568019.db2.gz ZILBTTKTFLKSBW-CRAIPNDOSA-N 2 1 355.486 3.229 20 0 FGADMP Cc1cc(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893707 505570420 /nfs/dbraw/zinc/57/04/20/505570420.db2.gz NEYINQBUFBYOBN-HZPDHXFCSA-N 2 1 371.447 3.171 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000608067790 506404973 /nfs/dbraw/zinc/40/49/73/506404973.db2.gz SFBQXIXWNPZNLT-DOMZBBRYSA-N 2 1 369.303 3.040 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000608067790 506404978 /nfs/dbraw/zinc/40/49/78/506404978.db2.gz SFBQXIXWNPZNLT-DOMZBBRYSA-N 2 1 369.303 3.040 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(F)s1 ZINC000612047148 506408192 /nfs/dbraw/zinc/40/81/92/506408192.db2.gz LCNCTZFAEQBDJH-UHFFFAOYSA-N 2 1 367.534 3.156 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000612048946 506409960 /nfs/dbraw/zinc/40/99/60/506409960.db2.gz DODDEFKPRXZBOX-NRSPTQNISA-N 2 1 361.574 3.077 20 0 FGADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000599318325 506411765 /nfs/dbraw/zinc/41/17/65/506411765.db2.gz ATJVNEXNGVFDKF-SFHVURJKSA-N 2 1 365.521 3.201 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000599318325 506411771 /nfs/dbraw/zinc/41/17/71/506411771.db2.gz ATJVNEXNGVFDKF-SFHVURJKSA-N 2 1 365.521 3.201 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000599318325 506411772 /nfs/dbraw/zinc/41/17/72/506411772.db2.gz ATJVNEXNGVFDKF-SFHVURJKSA-N 2 1 365.521 3.201 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000599318325 506411775 /nfs/dbraw/zinc/41/17/75/506411775.db2.gz ATJVNEXNGVFDKF-SFHVURJKSA-N 2 1 365.521 3.201 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000582905855 506483086 /nfs/dbraw/zinc/48/30/86/506483086.db2.gz UKSIZDPLBXGLNA-STRKUORWSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000612218398 506486299 /nfs/dbraw/zinc/48/62/99/506486299.db2.gz GZQRIPVGCRWCAH-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000596650254 506509982 /nfs/dbraw/zinc/50/99/82/506509982.db2.gz NAHWLNHUEOGEER-MLCHDBGUSA-N 2 1 362.489 3.229 20 0 FGADMP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357726 506524240 /nfs/dbraw/zinc/52/42/40/506524240.db2.gz GELDYTBPCUQUDF-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000593333526 506549575 /nfs/dbraw/zinc/54/95/75/506549575.db2.gz KBDIVLVXDSHKAM-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP C[C@H]1CC[N@@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)C1 ZINC000608613738 506632890 /nfs/dbraw/zinc/63/28/90/506632890.db2.gz MHXUCFIMMORLQU-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000608613738 506632894 /nfs/dbraw/zinc/63/28/94/506632894.db2.gz MHXUCFIMMORLQU-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000608613738 506632898 /nfs/dbraw/zinc/63/28/98/506632898.db2.gz MHXUCFIMMORLQU-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684897 506663525 /nfs/dbraw/zinc/66/35/25/506663525.db2.gz BHJRDLLFUMMRBX-GIVPXCGWSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684899 506663904 /nfs/dbraw/zinc/66/39/04/506663904.db2.gz BHJRDLLFUMMRBX-HMXCVIKNSA-N 2 1 372.557 3.338 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720931 506707258 /nfs/dbraw/zinc/70/72/58/506707258.db2.gz ZKUDBDFMQYQMBW-IFMALSPDSA-N 2 1 371.569 3.350 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604176593 506737985 /nfs/dbraw/zinc/73/79/85/506737985.db2.gz COHVDJDHMZIFEE-HXUWFJFHSA-N 2 1 369.513 3.108 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184568 506741226 /nfs/dbraw/zinc/74/12/26/506741226.db2.gz XSBVKBVDOZYUBN-FPOVZHCZSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014386 506746923 /nfs/dbraw/zinc/74/69/23/506746923.db2.gz UDWAXSXZZMXSTE-BVYCBKJFSA-N 2 1 369.553 3.073 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000612975576 506846411 /nfs/dbraw/zinc/84/64/11/506846411.db2.gz DUWUNLRDIQZFBM-HXUWFJFHSA-N 2 1 372.557 3.250 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000604776360 506939990 /nfs/dbraw/zinc/93/99/90/506939990.db2.gz HEZUZPLJGQVREH-FQEVSTJZSA-N 2 1 374.573 3.100 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782090 506941930 /nfs/dbraw/zinc/94/19/30/506941930.db2.gz FPXVZMWLHQCZNY-RLLQIKCJSA-N 2 1 374.573 3.488 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC(CC[NH3+])CC3)n2)cc1 ZINC000583757964 506957265 /nfs/dbraw/zinc/95/72/65/506957265.db2.gz OJGUDHIBDWEIRU-UHFFFAOYSA-N 2 1 358.511 3.118 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000590786773 506957375 /nfs/dbraw/zinc/95/73/75/506957375.db2.gz MEEQFIDHOSJFPV-INIZCTEOSA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787180 506957484 /nfs/dbraw/zinc/95/74/84/506957484.db2.gz UBOFRWIBRZJPFT-UHFFFAOYSA-N 2 1 359.558 3.476 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000590786726 506958822 /nfs/dbraw/zinc/95/88/22/506958822.db2.gz KIKCFDDAQYGCJO-CQSZACIVSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000590786726 506958828 /nfs/dbraw/zinc/95/88/28/506958828.db2.gz KIKCFDDAQYGCJO-CQSZACIVSA-N 2 1 353.457 3.344 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2c(C)cccc2C)CC1 ZINC000613491362 507117253 /nfs/dbraw/zinc/11/72/53/507117253.db2.gz PAUZJCZNIOMDAL-OAQYLSRUSA-N 2 1 362.558 3.487 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCc2ccccc2C1 ZINC000591128384 507125398 /nfs/dbraw/zinc/12/53/98/507125398.db2.gz ZTQRDCKARWVNSM-LEWJYISDSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000591128384 507125404 /nfs/dbraw/zinc/12/54/04/507125404.db2.gz ZTQRDCKARWVNSM-LEWJYISDSA-N 2 1 357.542 3.060 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000591128384 507125408 /nfs/dbraw/zinc/12/54/08/507125408.db2.gz ZTQRDCKARWVNSM-LEWJYISDSA-N 2 1 357.542 3.060 20 0 FGADMP CC(C)[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000591136773 507129472 /nfs/dbraw/zinc/12/94/72/507129472.db2.gz ZKUUFZZPCXKOSF-HSALFYBXSA-N 2 1 351.579 3.371 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1cccc(OC)c1 ZINC000584061573 507131748 /nfs/dbraw/zinc/13/17/48/507131748.db2.gz OUQAQTXEOKFPMQ-UHFFFAOYSA-N 2 1 373.541 3.244 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000584113992 507160751 /nfs/dbraw/zinc/16/07/51/507160751.db2.gz VGPIFOBSRIMLIW-XIRDDKMYSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)cc1OC ZINC000584113992 507160755 /nfs/dbraw/zinc/16/07/55/507160755.db2.gz VGPIFOBSRIMLIW-XIRDDKMYSA-N 2 1 373.522 3.387 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000610250522 507161893 /nfs/dbraw/zinc/16/18/93/507161893.db2.gz ZDCIBPHLPZKNKN-FUHWJXTLSA-N 2 1 367.484 3.449 20 0 FGADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000594516830 507167020 /nfs/dbraw/zinc/16/70/20/507167020.db2.gz FYWBTGJDQXDDSM-IEBWSBKVSA-N 2 1 368.562 3.223 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000591423165 507244457 /nfs/dbraw/zinc/24/44/57/507244457.db2.gz GHFKXJSOSZHQDC-MOPGFXCFSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591423165 507244463 /nfs/dbraw/zinc/24/44/63/507244463.db2.gz GHFKXJSOSZHQDC-MOPGFXCFSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591423165 507244467 /nfs/dbraw/zinc/24/44/67/507244467.db2.gz GHFKXJSOSZHQDC-MOPGFXCFSA-N 2 1 373.541 3.154 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000591543112 507284513 /nfs/dbraw/zinc/28/45/13/507284513.db2.gz QFZCLFPGWQRAJI-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613875156 507287572 /nfs/dbraw/zinc/28/75/72/507287572.db2.gz SQZPQJVLNWXRRV-UHFFFAOYSA-N 2 1 370.541 3.350 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613875156 507287578 /nfs/dbraw/zinc/28/75/78/507287578.db2.gz SQZPQJVLNWXRRV-UHFFFAOYSA-N 2 1 370.541 3.350 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000601215444 507298567 /nfs/dbraw/zinc/29/85/67/507298567.db2.gz DRRAQDJVAOJGTC-CRAIPNDOSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000605988580 507319145 /nfs/dbraw/zinc/31/91/45/507319145.db2.gz NXAAWXZTFBJGOF-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[NH+]1CCCCCC1 ZINC000606208946 507348740 /nfs/dbraw/zinc/34/87/40/507348740.db2.gz SQMWYWRRZGOIMN-GUDVDZBRSA-N 2 1 373.541 3.499 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)CSCCF)CC1 ZINC000595009129 507351769 /nfs/dbraw/zinc/35/17/69/507351769.db2.gz DNRQFMUCFIBURO-KRWDZBQOSA-N 2 1 353.551 3.005 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCc2ccc(I)cc21 ZINC000595013956 507353942 /nfs/dbraw/zinc/35/39/42/507353942.db2.gz KSIDLNOASOQWLE-HNNXBMFYSA-N 2 1 367.234 3.073 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610798008 507394345 /nfs/dbraw/zinc/39/43/45/507394345.db2.gz HOWSRCZFQAFCDO-OAHLLOKOSA-N 2 1 358.267 3.426 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683461 507447193 /nfs/dbraw/zinc/44/71/93/507447193.db2.gz OSSZAYLJSLTCBT-SQNIBIBYSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683461 507447198 /nfs/dbraw/zinc/44/71/98/507447198.db2.gz OSSZAYLJSLTCBT-SQNIBIBYSA-N 2 1 356.432 3.386 20 0 FGADMP FC(F)C(F)(F)COCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584689549 507450741 /nfs/dbraw/zinc/45/07/41/507450741.db2.gz SISIXARYDKRXIK-IAGOWNOFSA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584689549 507450749 /nfs/dbraw/zinc/45/07/49/507450749.db2.gz SISIXARYDKRXIK-IAGOWNOFSA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584689549 507450755 /nfs/dbraw/zinc/45/07/55/507450755.db2.gz SISIXARYDKRXIK-IAGOWNOFSA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000584689549 507450762 /nfs/dbraw/zinc/45/07/62/507450762.db2.gz SISIXARYDKRXIK-IAGOWNOFSA-N 2 1 374.422 3.357 20 0 FGADMP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000606623231 507456037 /nfs/dbraw/zinc/45/60/37/507456037.db2.gz DKYCXPINIZYREW-GHTZIAJQSA-N 2 1 372.557 3.165 20 0 FGADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000606681644 507477841 /nfs/dbraw/zinc/47/78/41/507477841.db2.gz KEZDDCLVEVMHOF-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852409 507542080 /nfs/dbraw/zinc/54/20/80/507542080.db2.gz DGEJRZYRKRGMGD-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852409 507542085 /nfs/dbraw/zinc/54/20/85/507542085.db2.gz DGEJRZYRKRGMGD-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852409 507542090 /nfs/dbraw/zinc/54/20/90/507542090.db2.gz DGEJRZYRKRGMGD-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP CCOc1ccc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1F ZINC000584865922 507547163 /nfs/dbraw/zinc/54/71/63/507547163.db2.gz LLQWDLCTWSQFCD-SFHVURJKSA-N 2 1 351.510 3.072 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000595657237 507617125 /nfs/dbraw/zinc/61/71/25/507617125.db2.gz CLCQGEJWLSXOQD-WOJBJXKFSA-N 2 1 360.546 3.243 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125426 507623315 /nfs/dbraw/zinc/62/33/15/507623315.db2.gz PMDXCFWVUACQKA-RXVVDRJESA-N 2 1 357.542 3.230 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284049 507676883 /nfs/dbraw/zinc/67/68/83/507676883.db2.gz UIDUMCLYRLJSOK-QFIPXVFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284049 507676888 /nfs/dbraw/zinc/67/68/88/507676888.db2.gz UIDUMCLYRLJSOK-QFIPXVFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284049 507676893 /nfs/dbraw/zinc/67/68/93/507676893.db2.gz UIDUMCLYRLJSOK-QFIPXVFZSA-N 2 1 365.521 3.289 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC(C)(C)C)nn2C)c1 ZINC000602546841 507743774 /nfs/dbraw/zinc/74/37/74/507743774.db2.gz YCMZMCFGBLKKDQ-UHFFFAOYSA-N 2 1 372.513 3.117 20 0 FGADMP Nc1nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000519035647 516863051 /nfs/dbraw/zinc/86/30/51/516863051.db2.gz BCOYAFVDIZRPPD-RBUKOAKNSA-N 2 1 373.504 3.166 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)[nH+]c1 ZINC000611878619 521378157 /nfs/dbraw/zinc/37/81/57/521378157.db2.gz FQKXKICRKZNLQO-FQEVSTJZSA-N 2 1 366.509 3.188 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000669125148 568086066 /nfs/dbraw/zinc/08/60/66/568086066.db2.gz OSIGYYJIDVMQRW-UEXGIBASSA-N 2 1 372.557 3.187 20 0 FGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437906 599315071 /nfs/dbraw/zinc/31/50/71/599315071.db2.gz TYGQFJAULVHGCN-CVEARBPZSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437906 599315074 /nfs/dbraw/zinc/31/50/74/599315074.db2.gz TYGQFJAULVHGCN-CVEARBPZSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437908 599315363 /nfs/dbraw/zinc/31/53/63/599315363.db2.gz TYGQFJAULVHGCN-HZPDHXFCSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437908 599315367 /nfs/dbraw/zinc/31/53/67/599315367.db2.gz TYGQFJAULVHGCN-HZPDHXFCSA-N 2 1 363.469 3.065 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000119096237 700619983 /nfs/dbraw/zinc/61/99/83/700619983.db2.gz UGUPKKMNJOZPPW-UHFFFAOYSA-N 2 1 363.855 3.476 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000150829393 704902898 /nfs/dbraw/zinc/90/28/98/704902898.db2.gz DEKYCGWXDWRZFR-SFHVURJKSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000156315422 705110901 /nfs/dbraw/zinc/11/09/01/705110901.db2.gz ADUZYUKGRXMJMN-SJORKVTESA-N 2 1 350.507 3.255 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161308061 705273297 /nfs/dbraw/zinc/27/32/97/705273297.db2.gz OQONPMBUWRZLNW-GOSISDBHSA-N 2 1 353.551 3.441 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177549939 705627770 /nfs/dbraw/zinc/62/77/70/705627770.db2.gz MJMPTVCVPKGVQL-QGZVFWFLSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000180626509 705750703 /nfs/dbraw/zinc/75/07/03/705750703.db2.gz YOGUSUOGQRQUAQ-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CCN1C ZINC000187119919 712733948 /nfs/dbraw/zinc/73/39/48/712733948.db2.gz JUWVUAZWNBFQOE-KFNAQCHYSA-N 2 1 359.283 3.036 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CCN1C ZINC000187119919 712733949 /nfs/dbraw/zinc/73/39/49/712733949.db2.gz JUWVUAZWNBFQOE-KFNAQCHYSA-N 2 1 359.283 3.036 20 0 FGADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000237367892 713590919 /nfs/dbraw/zinc/59/09/19/713590919.db2.gz KNHVNLIQCFSJBV-UZLBHIALSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000245901379 713613167 /nfs/dbraw/zinc/61/31/67/713613167.db2.gz DRAMCEJEVKDIDK-INMHGKMJSA-N 2 1 350.507 3.063 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000247548866 713642139 /nfs/dbraw/zinc/64/21/39/713642139.db2.gz PSIPWNTZXKJQTR-ZWKOTPCHSA-N 2 1 351.535 3.051 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261793137 713714210 /nfs/dbraw/zinc/71/42/10/713714210.db2.gz ZCGTWKBIJUWDSA-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261793137 713714211 /nfs/dbraw/zinc/71/42/11/713714211.db2.gz ZCGTWKBIJUWDSA-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029380 713717534 /nfs/dbraw/zinc/71/75/34/713717534.db2.gz NWNDDUYAAQKYJJ-GOSISDBHSA-N 2 1 364.917 3.473 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075032 713897993 /nfs/dbraw/zinc/89/79/93/713897993.db2.gz PMGOZGDUFOXOCE-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075032 713897996 /nfs/dbraw/zinc/89/79/96/713897996.db2.gz PMGOZGDUFOXOCE-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ncc(Cl)n3C)CC2)cs1 ZINC000374134933 713901627 /nfs/dbraw/zinc/90/16/27/713901627.db2.gz BEXWBRZJEZQBGD-UHFFFAOYSA-N 2 1 367.950 3.094 20 0 FGADMP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nc(-c3cccs3)no1)CC2)C1CC1 ZINC000374319346 713913191 /nfs/dbraw/zinc/91/31/91/713913191.db2.gz XQEOQMJMUWSPAS-CQSZACIVSA-N 2 1 358.511 3.494 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nc(-c3cccs3)no1)CC2)C1CC1 ZINC000374319346 713913192 /nfs/dbraw/zinc/91/31/92/713913192.db2.gz XQEOQMJMUWSPAS-CQSZACIVSA-N 2 1 358.511 3.494 20 0 FGADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000374633443 713935689 /nfs/dbraw/zinc/93/56/89/713935689.db2.gz VPXMOUWCFUZBSL-UHFFFAOYSA-N 2 1 354.535 3.074 20 0 FGADMP CO[C@@H](C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783606 713943525 /nfs/dbraw/zinc/94/35/25/713943525.db2.gz WUURDEDCHYYZGR-UXHICEINSA-N 2 1 365.949 3.128 20 0 FGADMP CO[C@H](CC(C)C)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000419225304 714010868 /nfs/dbraw/zinc/01/08/68/714010868.db2.gz CIHDQAQXSJIWDF-OAQYLSRUSA-N 2 1 353.595 3.176 20 0 FGADMP CO[C@H](CC(C)C)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000419225304 714010873 /nfs/dbraw/zinc/01/08/73/714010873.db2.gz CIHDQAQXSJIWDF-OAQYLSRUSA-N 3 1 353.595 3.176 20 0 FGADMP CO[C@H](CC(C)C)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000419225304 714010877 /nfs/dbraw/zinc/01/08/77/714010877.db2.gz CIHDQAQXSJIWDF-OAQYLSRUSA-N 3 1 353.595 3.176 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457071499 714064215 /nfs/dbraw/zinc/06/42/15/714064215.db2.gz PWXKCJFMJJIDFS-HNNXBMFYSA-N 2 1 363.468 3.126 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086500 715162713 /nfs/dbraw/zinc/16/27/13/715162713.db2.gz VQLGYHVPUUQBQZ-UHFFFAOYSA-N 2 1 357.889 3.267 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccsc1 ZINC000623409330 715329764 /nfs/dbraw/zinc/32/97/64/715329764.db2.gz ZDKAMYZSCABXFZ-MSOLQXFVSA-N 2 1 364.559 3.057 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1Cl ZINC000623453584 715339114 /nfs/dbraw/zinc/33/91/14/715339114.db2.gz VVCWAAHJFRUFLP-QZTJIDSGSA-N 2 1 352.906 3.206 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624096060 715471264 /nfs/dbraw/zinc/47/12/64/715471264.db2.gz SFRJGQNJUVCCFG-WDSOQIARSA-N 2 1 351.485 3.216 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121252 715477671 /nfs/dbraw/zinc/47/76/71/715477671.db2.gz RFQQIFRFBBKHSC-IAGOWNOFSA-N 2 1 350.503 3.103 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628202063 716124230 /nfs/dbraw/zinc/12/42/30/716124230.db2.gz GEQDSXMYJDQZTN-UHFFFAOYSA-N 2 1 357.464 3.255 20 0 FGADMP C[N@H+](Cc1ccsc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278898 716134392 /nfs/dbraw/zinc/13/43/92/716134392.db2.gz LUFXPLWPASKDEC-HNNXBMFYSA-N 2 1 361.477 3.367 20 0 FGADMP C[N@@H+](Cc1ccsc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278898 716134406 /nfs/dbraw/zinc/13/44/06/716134406.db2.gz LUFXPLWPASKDEC-HNNXBMFYSA-N 2 1 361.477 3.367 20 0 FGADMP CCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1OCCC ZINC000629520532 716302871 /nfs/dbraw/zinc/30/28/71/716302871.db2.gz GZLBCYJFFMTWSE-INIZCTEOSA-N 2 1 350.503 3.423 20 0 FGADMP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656627 716331021 /nfs/dbraw/zinc/33/10/21/716331021.db2.gz PULVBVZQTRTTEZ-NVXWUHKLSA-N 2 1 360.420 3.061 20 0 FGADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656627 716331025 /nfs/dbraw/zinc/33/10/25/716331025.db2.gz PULVBVZQTRTTEZ-NVXWUHKLSA-N 2 1 360.420 3.061 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656995 716331250 /nfs/dbraw/zinc/33/12/50/716331250.db2.gz SHRBVCPSBMNYKD-ZBFHGGJFSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656995 716331253 /nfs/dbraw/zinc/33/12/53/716331253.db2.gz SHRBVCPSBMNYKD-ZBFHGGJFSA-N 2 1 352.404 3.344 20 0 FGADMP C[N@@H+](CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CCC1 ZINC000629958590 716369776 /nfs/dbraw/zinc/36/97/76/716369776.db2.gz OHRVMCVCBRJQPL-UHFFFAOYSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccncc2Br)cc1 ZINC000631045223 716553717 /nfs/dbraw/zinc/55/37/17/716553717.db2.gz SKOOQVPZDOXSSD-UHFFFAOYSA-N 2 1 364.287 3.074 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H](n2cncn2)C(F)(F)F)CC1 ZINC000631687983 716660473 /nfs/dbraw/zinc/66/04/73/716660473.db2.gz OZDILIQVMUIRCS-KBMXLJTQSA-N 2 1 359.440 3.014 20 0 FGADMP FC1(F)CC[C@H](C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000631830369 716687790 /nfs/dbraw/zinc/68/77/90/716687790.db2.gz QIVBKGKURFZUAT-AWEZNQCLSA-N 2 1 352.473 3.492 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000635453308 717171816 /nfs/dbraw/zinc/17/18/16/717171816.db2.gz OXDQMNDRFBXDSV-UHFFFAOYSA-N 2 1 360.527 3.096 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C)ns3)CC2)cs1 ZINC000638622967 717470782 /nfs/dbraw/zinc/47/07/82/717470782.db2.gz FFCFTADJNBHBEF-UHFFFAOYSA-N 2 1 350.557 3.472 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639041517 717507789 /nfs/dbraw/zinc/50/77/89/717507789.db2.gz LXZOPYGAOLXJQE-UKRRQHHQSA-N 2 1 368.319 3.158 20 0 FGADMP O[C@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000644423568 718111115 /nfs/dbraw/zinc/11/11/15/718111115.db2.gz SUCIQSIROIPZNA-ZWKOTPCHSA-N 2 1 356.432 3.129 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000644525428 718119079 /nfs/dbraw/zinc/11/90/79/718119079.db2.gz KUTJNYMGNAXZRP-CLCXKQKWSA-N 2 1 365.905 3.209 20 0 FGADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000644569545 718126870 /nfs/dbraw/zinc/12/68/70/718126870.db2.gz WXDQAYWZUSOICZ-OAHLLOKOSA-N 2 1 368.319 3.242 20 0 FGADMP O=C(C[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646496859 718289269 /nfs/dbraw/zinc/28/92/69/718289269.db2.gz IIRDTUABAHOVMX-ZDUSSCGKSA-N 2 1 370.324 3.074 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480148 718363552 /nfs/dbraw/zinc/36/35/52/718363552.db2.gz COUCIPZUWNPSGX-ZBFHGGJFSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480148 718363553 /nfs/dbraw/zinc/36/35/53/718363553.db2.gz COUCIPZUWNPSGX-ZBFHGGJFSA-N 2 1 350.528 3.390 20 0 FGADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498892 718364444 /nfs/dbraw/zinc/36/44/44/718364444.db2.gz STYHDHCBHGYELQ-PBHICJAKSA-N 2 1 363.303 3.194 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498892 718364446 /nfs/dbraw/zinc/36/44/46/718364446.db2.gz STYHDHCBHGYELQ-PBHICJAKSA-N 2 1 363.303 3.194 20 0 FGADMP CCOc1ccc(Br)cc1C[N@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647884360 718383190 /nfs/dbraw/zinc/38/31/90/718383190.db2.gz HDXFVEBFFNOSOH-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP CCOc1ccc(Br)cc1C[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1 ZINC000647884360 718383193 /nfs/dbraw/zinc/38/31/93/718383193.db2.gz HDXFVEBFFNOSOH-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647976583 718391475 /nfs/dbraw/zinc/39/14/75/718391475.db2.gz QKBZMBZDXCCNJF-GVDBMIGSSA-N 2 1 361.555 3.447 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648160450 718402156 /nfs/dbraw/zinc/40/21/56/718402156.db2.gz IFABYEXIYNZWPM-SJORKVTESA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648160450 718402159 /nfs/dbraw/zinc/40/21/59/718402159.db2.gz IFABYEXIYNZWPM-SJORKVTESA-N 2 1 367.896 3.391 20 0 FGADMP C[N@@H+](Cc1cc2cc(Cl)cnc2o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648586028 718438253 /nfs/dbraw/zinc/43/82/53/718438253.db2.gz VJIURSRBXBSJBY-KRWDZBQOSA-N 2 1 362.905 3.082 20 0 FGADMP O=C(C[N@H+]1CCC12CCCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649657558 718545849 /nfs/dbraw/zinc/54/58/49/718545849.db2.gz DSQNQAMDLQQMDO-UHFFFAOYSA-N 2 1 359.539 3.192 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708174 718717264 /nfs/dbraw/zinc/71/72/64/718717264.db2.gz UVWRAHKPDASCDP-CPUCHLNUSA-N 2 1 371.294 3.307 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1SC ZINC000650723675 718721355 /nfs/dbraw/zinc/72/13/55/718721355.db2.gz RPFFIEOXYNZTKP-GVDBMIGSSA-N 2 1 350.528 3.278 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3C[C@@]3([NH3+])C2)n1 ZINC001164418194 718896340 /nfs/dbraw/zinc/89/63/40/718896340.db2.gz CCSXWCDHKKLDQX-IFXJQAMLSA-N 2 1 359.543 3.077 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143236 718916694 /nfs/dbraw/zinc/91/66/94/718916694.db2.gz SRSMCZBIZFEJKX-NVXWUHKLSA-N 2 1 350.503 3.485 20 0 FGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208652 718923112 /nfs/dbraw/zinc/92/31/12/718923112.db2.gz KUKZGJDWKHKTTR-RDJZCZTQSA-N 2 1 350.503 3.485 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347015 718934807 /nfs/dbraw/zinc/93/48/07/718934807.db2.gz OEPSJTZWPOYKSQ-SUMDDJOVSA-N 2 1 352.906 3.327 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000652352228 718935823 /nfs/dbraw/zinc/93/58/23/718935823.db2.gz VEZRPFOHRIRCSG-YOEHRIQHSA-N 2 1 355.404 3.095 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652363417 718936812 /nfs/dbraw/zinc/93/68/12/718936812.db2.gz DIAQDZWKWCVLDL-YNEHKIRRSA-N 2 1 363.449 3.331 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652363417 718936815 /nfs/dbraw/zinc/93/68/15/718936815.db2.gz DIAQDZWKWCVLDL-YNEHKIRRSA-N 2 1 363.449 3.331 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000652358724 718936847 /nfs/dbraw/zinc/93/68/47/718936847.db2.gz LCIGRNNNKYTHST-UHFFFAOYSA-N 2 1 363.811 3.358 20 0 FGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1F ZINC000655717901 719329448 /nfs/dbraw/zinc/32/94/48/719329448.db2.gz FTGSHDDFMKBUOA-ROUUACIJSA-N 2 1 350.478 3.216 20 0 FGADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000655776823 719338412 /nfs/dbraw/zinc/33/84/12/719338412.db2.gz PJPTXDYUCULNKX-CYBMUJFWSA-N 2 1 365.319 3.231 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1Cl ZINC000657594897 719681003 /nfs/dbraw/zinc/68/10/03/719681003.db2.gz KSFKJMUPDXGAKL-SFHVURJKSA-N 2 1 360.885 3.205 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCn4nccc43)CC2)cs1 ZINC000657877248 719724407 /nfs/dbraw/zinc/72/44/07/719724407.db2.gz AUCOLVIWPOUXPH-QGZVFWFLSA-N 2 1 359.543 3.239 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660149008 719997414 /nfs/dbraw/zinc/99/74/14/719997414.db2.gz GAQWUSFUZDASEF-SFHVURJKSA-N 2 1 350.453 3.399 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](OC)C3CCCCC3)CC2)CC1 ZINC000660832764 720131345 /nfs/dbraw/zinc/13/13/45/720131345.db2.gz BMINWAMOBZIBHA-OAQYLSRUSA-N 2 1 351.579 3.074 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H](OC)C3CCCCC3)CC2)CC1 ZINC000660832763 720131371 /nfs/dbraw/zinc/13/13/71/720131371.db2.gz BMINWAMOBZIBHA-NRFANRHFSA-N 2 1 351.579 3.074 20 0 FGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257483 720405323 /nfs/dbraw/zinc/40/53/23/720405323.db2.gz CZWRCBZHBYTPDY-HUUCEWRRSA-N 2 1 371.308 3.358 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662450855 720429854 /nfs/dbraw/zinc/42/98/54/720429854.db2.gz HCYGUNNWAGVSAE-INIZCTEOSA-N 2 1 358.313 3.072 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662482063 720433535 /nfs/dbraw/zinc/43/35/35/720433535.db2.gz RSRAVELLADPKTC-SUMWQHHRSA-N 2 1 372.340 3.444 20 0 FGADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484051 720433602 /nfs/dbraw/zinc/43/36/02/720433602.db2.gz FKDLRIHYMIFZII-DYVFJYSZSA-N 2 1 372.340 3.444 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484051 720433605 /nfs/dbraw/zinc/43/36/05/720433605.db2.gz FKDLRIHYMIFZII-DYVFJYSZSA-N 2 1 372.340 3.444 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662532710 720439045 /nfs/dbraw/zinc/43/90/45/720439045.db2.gz DWSLXZYCAWUTKN-LRDDRELGSA-N 2 1 358.313 3.197 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662552231 720440623 /nfs/dbraw/zinc/44/06/23/720440623.db2.gz PZPODZYQRVNHNY-INIZCTEOSA-N 2 1 358.313 3.102 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000662597774 720444750 /nfs/dbraw/zinc/44/47/50/720444750.db2.gz PCQPAGGMTWVIOP-PKOBYXMFSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455804 720517107 /nfs/dbraw/zinc/51/71/07/720517107.db2.gz URALFDJEQXPGFM-WMLDXEAASA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455804 720517110 /nfs/dbraw/zinc/51/71/10/720517110.db2.gz URALFDJEQXPGFM-WMLDXEAASA-N 2 1 366.937 3.115 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000664299923 720620673 /nfs/dbraw/zinc/62/06/73/720620673.db2.gz ZGFGDOYYONTOCN-UHFFFAOYSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000664313769 720622998 /nfs/dbraw/zinc/62/29/98/720622998.db2.gz CQGFKMIGBIXQJG-LBPRGKRZSA-N 2 1 361.317 3.387 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)ccc1Cl ZINC000664313769 720623000 /nfs/dbraw/zinc/62/30/00/720623000.db2.gz CQGFKMIGBIXQJG-LBPRGKRZSA-N 2 1 361.317 3.387 20 0 FGADMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1C(F)(F)F ZINC000666308204 720914411 /nfs/dbraw/zinc/91/44/11/720914411.db2.gz LTELTDGDKZGZPW-KRWDZBQOSA-N 2 1 355.448 3.226 20 0 FGADMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1C(F)(F)F ZINC000666308204 720914413 /nfs/dbraw/zinc/91/44/13/720914413.db2.gz LTELTDGDKZGZPW-KRWDZBQOSA-N 2 1 355.448 3.226 20 0 FGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3C)[C@@H]2C ZINC001164856155 720940518 /nfs/dbraw/zinc/94/05/18/720940518.db2.gz BSVWQLPGMNPKDA-OAHLLOKOSA-N 2 1 352.486 3.191 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)cc1 ZINC000669583614 721468932 /nfs/dbraw/zinc/46/89/32/721468932.db2.gz HEEUQYJXUNIOEX-QGZVFWFLSA-N 2 1 366.937 3.246 20 0 FGADMP Cc1[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164904655 721549359 /nfs/dbraw/zinc/54/93/59/721549359.db2.gz FWZLGJFUFCBRKZ-WMZOPIPTSA-N 2 1 366.440 3.352 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(N)c1 ZINC001165028910 721820478 /nfs/dbraw/zinc/82/04/78/721820478.db2.gz YCILGGKRZUZGAR-HQRMLTQVSA-N 2 1 351.498 3.104 20 0 FGADMP C[NH+](C)CC1CCN(c2[nH+]cnc3c2ccn3Cc2cccc(F)c2)CC1 ZINC001165042441 721946297 /nfs/dbraw/zinc/94/62/97/721946297.db2.gz RHIHDHJVQQBXDD-UHFFFAOYSA-N 2 1 367.472 3.397 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000685460077 722385938 /nfs/dbraw/zinc/38/59/38/722385938.db2.gz QLXBJKUSIKQXMA-CALCHBBNSA-N 2 1 366.571 3.401 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000685460077 722385939 /nfs/dbraw/zinc/38/59/39/722385939.db2.gz QLXBJKUSIKQXMA-CALCHBBNSA-N 2 1 366.571 3.401 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293978 722412915 /nfs/dbraw/zinc/41/29/15/722412915.db2.gz XDKQWEBRQQFONT-TZNCUMHOSA-N 2 1 351.535 3.094 20 0 FGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000731872396 722478765 /nfs/dbraw/zinc/47/87/65/722478765.db2.gz IAQUITUBMKGNGW-FQEVSTJZSA-N 2 1 351.579 3.469 20 0 FGADMP Cc1c(Cl)cccc1NC(=S)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732720542 722487732 /nfs/dbraw/zinc/48/77/32/722487732.db2.gz JMLOKXIKKSKJID-AWEZNQCLSA-N 2 1 366.962 3.103 20 0 FGADMP Cc1c(Cl)cccc1NC(=S)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732720542 722487733 /nfs/dbraw/zinc/48/77/33/722487733.db2.gz JMLOKXIKKSKJID-AWEZNQCLSA-N 2 1 366.962 3.103 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753328 722500588 /nfs/dbraw/zinc/50/05/88/722500588.db2.gz KNPSNQFALQEVMJ-ROUUACIJSA-N 2 1 368.635 3.035 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666941 722613228 /nfs/dbraw/zinc/61/32/28/722613228.db2.gz FGNVQCBXMAVMSF-CRAIPNDOSA-N 2 1 356.432 3.403 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666941 722613229 /nfs/dbraw/zinc/61/32/29/722613229.db2.gz FGNVQCBXMAVMSF-CRAIPNDOSA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666941 722613230 /nfs/dbraw/zinc/61/32/30/722613230.db2.gz FGNVQCBXMAVMSF-CRAIPNDOSA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666941 722613231 /nfs/dbraw/zinc/61/32/31/722613231.db2.gz FGNVQCBXMAVMSF-CRAIPNDOSA-N 2 1 356.432 3.403 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577776 722814655 /nfs/dbraw/zinc/81/46/55/722814655.db2.gz VLNPTYBUHFZNII-JKIFEVAISA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577776 722814657 /nfs/dbraw/zinc/81/46/57/722814657.db2.gz VLNPTYBUHFZNII-JKIFEVAISA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577776 722814661 /nfs/dbraw/zinc/81/46/61/722814661.db2.gz VLNPTYBUHFZNII-JKIFEVAISA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577776 722814664 /nfs/dbraw/zinc/81/46/64/722814664.db2.gz VLNPTYBUHFZNII-JKIFEVAISA-N 2 1 355.320 3.287 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765240631 723498044 /nfs/dbraw/zinc/49/80/44/723498044.db2.gz VDWHGGHOBMRCHU-LSDHHAIUSA-N 2 1 374.497 3.456 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000766120648 723556878 /nfs/dbraw/zinc/55/68/78/723556878.db2.gz AENJUUYNQWJQMK-NZSAHSFTSA-N 2 1 350.572 3.379 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000766120648 723556880 /nfs/dbraw/zinc/55/68/80/723556880.db2.gz AENJUUYNQWJQMK-NZSAHSFTSA-N 2 1 350.572 3.379 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000796739064 723652800 /nfs/dbraw/zinc/65/28/00/723652800.db2.gz PEOUUDRNYCNZDG-OKZBNKHCSA-N 2 1 351.535 3.096 20 0 FGADMP COc1c(C)cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000796766146 723653980 /nfs/dbraw/zinc/65/39/80/723653980.db2.gz SWTPCAPMRZVVLH-INIZCTEOSA-N 2 1 353.938 3.335 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000773135266 723777484 /nfs/dbraw/zinc/77/74/84/723777484.db2.gz CEMVJKBMASJGOI-JVPBZIDWSA-N 2 1 372.912 3.239 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21)C[NH+]1CCCC1 ZINC000775377904 723986453 /nfs/dbraw/zinc/98/64/53/723986453.db2.gz FMBJPCLQAWMJSW-WMLDXEAASA-N 2 1 356.482 3.425 20 0 FGADMP C[C@@H](OC[C@@H](O)C[N@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174763 723994901 /nfs/dbraw/zinc/99/49/01/723994901.db2.gz MTKJKCVBMLJPON-APWZRJJASA-N 2 1 354.922 3.196 20 0 FGADMP C[C@@H](OC[C@@H](O)C[N@@H+](C)CCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000799174763 723994905 /nfs/dbraw/zinc/99/49/05/723994905.db2.gz MTKJKCVBMLJPON-APWZRJJASA-N 2 1 354.922 3.196 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000799199931 723997978 /nfs/dbraw/zinc/99/79/78/723997978.db2.gz QLOJWGBPZOQORL-GOSISDBHSA-N 2 1 367.331 3.085 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000799336860 724014377 /nfs/dbraw/zinc/01/43/77/724014377.db2.gz OYOMXKOARCFVQR-OAHLLOKOSA-N 2 1 352.404 3.430 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000799336860 724014382 /nfs/dbraw/zinc/01/43/82/724014382.db2.gz OYOMXKOARCFVQR-OAHLLOKOSA-N 2 1 352.404 3.430 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776606831 724163903 /nfs/dbraw/zinc/16/39/03/724163903.db2.gz OJUVCSBQWARUKZ-JKSUJKDBSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000776606831 724163905 /nfs/dbraw/zinc/16/39/05/724163905.db2.gz OJUVCSBQWARUKZ-JKSUJKDBSA-N 2 1 350.507 3.301 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802007982 724353258 /nfs/dbraw/zinc/35/32/58/724353258.db2.gz ADOXVYYINLACIO-FQEVSTJZSA-N 2 1 353.551 3.441 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802007982 724353263 /nfs/dbraw/zinc/35/32/63/724353263.db2.gz ADOXVYYINLACIO-FQEVSTJZSA-N 2 1 353.551 3.441 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983873 724379052 /nfs/dbraw/zinc/37/90/52/724379052.db2.gz ABEHODXRPQAESL-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983873 724379055 /nfs/dbraw/zinc/37/90/55/724379055.db2.gz ABEHODXRPQAESL-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ncc(C3OCCO3)s2)C1 ZINC000809606563 725251838 /nfs/dbraw/zinc/25/18/38/725251838.db2.gz WWNLIQYIUXQXLH-GASCZTMLSA-N 2 1 353.532 3.036 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000809717363 725262134 /nfs/dbraw/zinc/26/21/34/725262134.db2.gz GPIVIHPJELJDSK-UYTYNIKBSA-N 2 1 351.535 3.237 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000809755556 725265545 /nfs/dbraw/zinc/26/55/45/725265545.db2.gz KLOJVLPMTHOLBU-HNNXBMFYSA-N 2 1 361.921 3.094 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165010 725294099 /nfs/dbraw/zinc/29/40/99/725294099.db2.gz JKVSFTYPRGUIND-PFRQMTDMSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810165010 725294100 /nfs/dbraw/zinc/29/41/00/725294100.db2.gz JKVSFTYPRGUIND-PFRQMTDMSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810165010 725294102 /nfs/dbraw/zinc/29/41/02/725294102.db2.gz JKVSFTYPRGUIND-PFRQMTDMSA-N 2 1 353.526 3.063 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1Cl ZINC000815135628 727043440 /nfs/dbraw/zinc/04/34/40/727043440.db2.gz YRELUPNBRAJZBJ-BHIYHBOVSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1Cl ZINC000815135628 727043442 /nfs/dbraw/zinc/04/34/42/727043442.db2.gz YRELUPNBRAJZBJ-BHIYHBOVSA-N 2 1 358.917 3.464 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931331 727288332 /nfs/dbraw/zinc/28/83/32/727288332.db2.gz QOSTVNUSEBYNAK-XWIAVFTESA-N 2 1 363.299 3.031 20 0 FGADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000819136817 727351311 /nfs/dbraw/zinc/35/13/11/727351311.db2.gz OKGSWVUDAFMSHX-SFHVURJKSA-N 2 1 360.889 3.039 20 0 FGADMP Cc1ccc(CN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)C)s1 ZINC000820068673 728964866 /nfs/dbraw/zinc/96/48/66/728964866.db2.gz NMDVGSVLWZEETL-INIZCTEOSA-N 2 1 368.591 3.249 20 0 FGADMP Cc1ccc(CN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)C)s1 ZINC000820068673 728964870 /nfs/dbraw/zinc/96/48/70/728964870.db2.gz NMDVGSVLWZEETL-INIZCTEOSA-N 2 1 368.591 3.249 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1C(=O)OC(C)(C)C ZINC000823666702 729297462 /nfs/dbraw/zinc/29/74/62/729297462.db2.gz QNVZJOAHEQMZCN-BDXSIMOUSA-N 2 1 351.535 3.238 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509605 729647832 /nfs/dbraw/zinc/64/78/32/729647832.db2.gz FMMGZIRNXAHMPK-FUHWJXTLSA-N 2 1 355.885 3.250 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509605 729647834 /nfs/dbraw/zinc/64/78/34/729647834.db2.gz FMMGZIRNXAHMPK-FUHWJXTLSA-N 2 1 355.885 3.250 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000831535657 729649470 /nfs/dbraw/zinc/64/94/70/729649470.db2.gz YYSRLWUBTGNSGO-MJGOQNOKSA-N 2 1 353.457 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000831535657 729649472 /nfs/dbraw/zinc/64/94/72/729649472.db2.gz YYSRLWUBTGNSGO-MJGOQNOKSA-N 2 1 353.457 3.124 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399558 730614909 /nfs/dbraw/zinc/61/49/09/730614909.db2.gz KYYOJDWVIUMLJM-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326693 730703547 /nfs/dbraw/zinc/70/35/47/730703547.db2.gz KIQPGRDVMGYUBS-IAGOWNOFSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326693 730703549 /nfs/dbraw/zinc/70/35/49/730703549.db2.gz KIQPGRDVMGYUBS-IAGOWNOFSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326693 730703550 /nfs/dbraw/zinc/70/35/50/730703550.db2.gz KIQPGRDVMGYUBS-IAGOWNOFSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326693 730703552 /nfs/dbraw/zinc/70/35/52/730703552.db2.gz KIQPGRDVMGYUBS-IAGOWNOFSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848525375 731175136 /nfs/dbraw/zinc/17/51/36/731175136.db2.gz PDQFUZVUVOCDQB-DJIMGWMZSA-N 2 1 350.507 3.253 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848529393 731176106 /nfs/dbraw/zinc/17/61/06/731176106.db2.gz MPLJFTIJYINKJW-SJORKVTESA-N 2 1 350.507 3.397 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091184 731228044 /nfs/dbraw/zinc/22/80/44/731228044.db2.gz XWFWSIRVJVOPPS-OAHLLOKOSA-N 2 1 356.436 3.440 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000851629951 731479865 /nfs/dbraw/zinc/47/98/65/731479865.db2.gz DBIOZMPTOXXESJ-MKBNYLNASA-N 2 1 358.313 3.243 20 0 FGADMP C[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2Cl)CC1 ZINC000858401089 732210963 /nfs/dbraw/zinc/21/09/63/732210963.db2.gz PGEBHFYUPLCDRI-MRXNPFEDSA-N 2 1 350.938 3.377 20 0 FGADMP C[NH+]1CCN(c2ccc(N[C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2Cl)CC1 ZINC000858401089 732210966 /nfs/dbraw/zinc/21/09/66/732210966.db2.gz PGEBHFYUPLCDRI-MRXNPFEDSA-N 2 1 350.938 3.377 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CN1C(=O)OC(C)(C)C ZINC000858532300 732224639 /nfs/dbraw/zinc/22/46/39/732224639.db2.gz LZXNBDHODGPBKT-ILOCAZANSA-N 2 1 351.535 3.237 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862216191 732787591 /nfs/dbraw/zinc/78/75/91/732787591.db2.gz UJVRQAXNTKEQTM-OAHLLOKOSA-N 2 1 361.477 3.047 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC1 ZINC000862216191 732787593 /nfs/dbraw/zinc/78/75/93/732787593.db2.gz UJVRQAXNTKEQTM-OAHLLOKOSA-N 2 1 361.477 3.047 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C4CC4)cn3)CC2)cs1 ZINC000865459238 733205366 /nfs/dbraw/zinc/20/53/66/733205366.db2.gz VULNJCTVSITUNC-UHFFFAOYSA-N 2 1 359.543 3.239 20 0 FGADMP [NH3+][C@@H](C[C@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157436 735597255 /nfs/dbraw/zinc/59/72/55/735597255.db2.gz ONOOJIMITOWZID-OCCSQVGLSA-N 2 1 360.424 3.294 20 0 FGADMP [NH3+][C@@H](C[C@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157436 735597256 /nfs/dbraw/zinc/59/72/56/735597256.db2.gz ONOOJIMITOWZID-OCCSQVGLSA-N 2 1 360.424 3.294 20 0 FGADMP CCCn1c(C)nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1=S ZINC000872744762 735670803 /nfs/dbraw/zinc/67/08/03/735670803.db2.gz ZUVNDYNCGSKQHA-UHFFFAOYSA-N 2 1 353.580 3.390 20 0 FGADMP CCCn1c(C)nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)c1=S ZINC000872744762 735670804 /nfs/dbraw/zinc/67/08/04/735670804.db2.gz ZUVNDYNCGSKQHA-UHFFFAOYSA-N 2 1 353.580 3.390 20 0 FGADMP Brc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000873262216 735744373 /nfs/dbraw/zinc/74/43/73/735744373.db2.gz KLJKYFDXGFSWCR-SJLPKXTDSA-N 2 1 374.282 3.190 20 0 FGADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000873283478 735746138 /nfs/dbraw/zinc/74/61/38/735746138.db2.gz UWFNGJHZAIPCAG-BFHYXJOUSA-N 2 1 363.811 3.001 20 0 FGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000877149608 736193291 /nfs/dbraw/zinc/19/32/91/736193291.db2.gz DPZBPQWRHJUHQC-BXKMTCNYSA-N 2 1 360.479 3.334 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1(C)C ZINC000877499405 736672744 /nfs/dbraw/zinc/67/27/44/736672744.db2.gz PBXFFRHQTHMWPV-UHFFFAOYSA-N 2 1 352.935 3.065 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576352 737010112 /nfs/dbraw/zinc/01/01/12/737010112.db2.gz BSPOAZGGLSWFLB-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576352 737010119 /nfs/dbraw/zinc/01/01/19/737010119.db2.gz BSPOAZGGLSWFLB-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576352 737010126 /nfs/dbraw/zinc/01/01/26/737010126.db2.gz BSPOAZGGLSWFLB-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576352 737010133 /nfs/dbraw/zinc/01/01/33/737010133.db2.gz BSPOAZGGLSWFLB-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000879576352 737010135 /nfs/dbraw/zinc/01/01/35/737010135.db2.gz BSPOAZGGLSWFLB-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000882889292 737501482 /nfs/dbraw/zinc/50/14/82/737501482.db2.gz WPHPTVGTNKQKLC-UHFFFAOYSA-N 2 1 358.555 3.339 20 0 FGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956822 739202673 /nfs/dbraw/zinc/20/26/73/739202673.db2.gz ZKDHUDRGVABMBP-ROUUACIJSA-N 2 1 364.555 3.278 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956822 739202683 /nfs/dbraw/zinc/20/26/83/739202683.db2.gz ZKDHUDRGVABMBP-ROUUACIJSA-N 2 1 364.555 3.278 20 0 FGADMP [NH3+]CCCCCCC[N@@H+]1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000886857923 739311909 /nfs/dbraw/zinc/31/19/09/739311909.db2.gz FUSCTTRBHSKXAS-UHFFFAOYSA-N 2 1 361.921 3.247 20 0 FGADMP [NH3+]CCCCCCC[N@H+]1CCn2c(Cc3ccccc3Cl)nnc2C1 ZINC000886857923 739311912 /nfs/dbraw/zinc/31/19/12/739311912.db2.gz FUSCTTRBHSKXAS-UHFFFAOYSA-N 2 1 361.921 3.247 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NC2(C[NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000891597158 739919445 /nfs/dbraw/zinc/91/94/45/739919445.db2.gz LCFPLYAVFWHZGY-DOTOQJQBSA-N 2 1 364.559 3.092 20 0 FGADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Br)cc1NC(C)=O ZINC000893321363 742140354 /nfs/dbraw/zinc/14/03/54/742140354.db2.gz ATMXJXDTDXXGSR-UHFFFAOYSA-N 2 1 356.308 3.229 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC000894858415 742343639 /nfs/dbraw/zinc/34/36/39/742343639.db2.gz FPRDFLOVJZMSEK-QKPAOTATSA-N 2 1 364.452 3.218 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOC3CCSCC3)CC2)cc1 ZINC000898439771 742794363 /nfs/dbraw/zinc/79/43/63/742794363.db2.gz MFKVWPQISCGRQK-UHFFFAOYSA-N 2 1 366.546 3.334 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794292 743776156 /nfs/dbraw/zinc/77/61/56/743776156.db2.gz UZRNJQLUUHNFSD-RYUDHWBXSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794292 743776159 /nfs/dbraw/zinc/77/61/59/743776159.db2.gz UZRNJQLUUHNFSD-RYUDHWBXSA-N 2 1 363.449 3.005 20 0 FGADMP FC(F)(F)c1cccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)n1 ZINC000903130315 743810560 /nfs/dbraw/zinc/81/05/60/743810560.db2.gz LQIUMYPVXDELRV-LQDVMPOASA-N 2 1 355.404 3.227 20 0 FGADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496304 743856437 /nfs/dbraw/zinc/85/64/37/743856437.db2.gz IZGIBCUZEAXFNC-OWCLPIDISA-N 2 1 364.559 3.114 20 0 FGADMP CCOC(=O)c1csc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783378 743883531 /nfs/dbraw/zinc/88/35/31/743883531.db2.gz XSBPTEXPVSCCGI-ZBFHGGJFSA-N 2 1 365.543 3.439 20 0 FGADMP CCOC(=O)c1csc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783378 743883535 /nfs/dbraw/zinc/88/35/35/743883535.db2.gz XSBPTEXPVSCCGI-ZBFHGGJFSA-N 2 1 365.543 3.439 20 0 FGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000903955237 743904859 /nfs/dbraw/zinc/90/48/59/743904859.db2.gz NMVLYXDECUNFCS-LBPRGKRZSA-N 2 1 370.241 3.332 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)[C@@H]1c1cccs1 ZINC000905132243 743994998 /nfs/dbraw/zinc/99/49/98/743994998.db2.gz KZIHFQFKULBPJB-ZIFCJYIRSA-N 2 1 366.571 3.024 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)[C@@H]1c1cccs1 ZINC000905132243 743995003 /nfs/dbraw/zinc/99/50/03/743995003.db2.gz KZIHFQFKULBPJB-ZIFCJYIRSA-N 2 1 366.571 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)CC[N@H+]1C ZINC000940756953 762159243 /nfs/dbraw/zinc/15/92/43/762159243.db2.gz NSQYXXMFXDDKOP-KSZLIROESA-N 2 1 351.579 3.370 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)CC[NH+]1C ZINC000940756953 762159256 /nfs/dbraw/zinc/15/92/56/762159256.db2.gz NSQYXXMFXDDKOP-KSZLIROESA-N 2 1 351.579 3.370 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](CCC(C)(C)C)CC2(C)C)CC[NH+]1C ZINC000940756953 762159269 /nfs/dbraw/zinc/15/92/69/762159269.db2.gz NSQYXXMFXDDKOP-KSZLIROESA-N 2 1 351.579 3.370 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc2c(cc(F)cc2Br)[nH]1 ZINC000922273873 758883230 /nfs/dbraw/zinc/88/32/30/758883230.db2.gz NEYIPBSGXADGPO-UHFFFAOYSA-N 2 1 351.223 3.135 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386374 758909138 /nfs/dbraw/zinc/90/91/38/758909138.db2.gz GZXQAZRZOIODQC-BRSBDYLESA-N 2 1 356.432 3.275 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922395653 758914862 /nfs/dbraw/zinc/91/48/62/758914862.db2.gz YBWSTJUWAGNGTP-LTDCPUDJSA-N 2 1 351.560 3.226 20 0 FGADMP CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1c(F)cccc1F ZINC000923299720 759097100 /nfs/dbraw/zinc/09/71/00/759097100.db2.gz WFSOBDWUKYDIGK-GOOCMWNKSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923510910 759136709 /nfs/dbraw/zinc/13/67/09/759136709.db2.gz XZMJLHOPPXEJAP-MNOVXSKESA-N 2 1 363.811 3.214 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923510910 759136713 /nfs/dbraw/zinc/13/67/13/759136713.db2.gz XZMJLHOPPXEJAP-MNOVXSKESA-N 2 1 363.811 3.214 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c2cccs2)CC1 ZINC000924530693 759352174 /nfs/dbraw/zinc/35/21/74/759352174.db2.gz AAGRBIRCPHPOPZ-NPYXIHBLSA-N 2 1 351.585 3.053 20 0 FGADMP C[C@H]([NH3+])[C@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000925656400 759518638 /nfs/dbraw/zinc/51/86/38/759518638.db2.gz ZYQDXHRWBNRWAM-BBRMVZONSA-N 2 1 351.292 3.104 20 0 FGADMP C[C@H]([NH3+])[C@@H]([NH2+]CCCCn1cc(Br)cn1)c1ccccc1 ZINC000925656406 759518750 /nfs/dbraw/zinc/51/87/50/759518750.db2.gz ZYQDXHRWBNRWAM-XJKSGUPXSA-N 2 1 351.292 3.104 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Br)c1 ZINC000925777470 759536045 /nfs/dbraw/zinc/53/60/45/759536045.db2.gz DXAVESJUHQZVIU-ONGXEEELSA-N 2 1 351.210 3.484 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792839 759540908 /nfs/dbraw/zinc/54/09/08/759540908.db2.gz QJKCVZCRRLZZTK-HOCLYGCPSA-N 2 1 356.432 3.385 20 0 FGADMP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000925807422 759546934 /nfs/dbraw/zinc/54/69/34/759546934.db2.gz ASDSWJKWASVJFU-FVQBIDKESA-N 2 1 373.722 3.349 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926915570 759848096 /nfs/dbraw/zinc/84/80/96/759848096.db2.gz LTYCOPNZYQVUBL-LTIDMASMSA-N 2 1 366.468 3.213 20 0 FGADMP C[C@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483003 760873031 /nfs/dbraw/zinc/87/30/31/760873031.db2.gz UBWSBUOKVBEZBZ-CQSZACIVSA-N 2 1 363.889 3.445 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000969707567 762861500 /nfs/dbraw/zinc/86/15/00/762861500.db2.gz BLVKQFCZTKFDES-ZOCIIQOWSA-N 2 1 363.571 3.032 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971560737 762912536 /nfs/dbraw/zinc/91/25/36/762912536.db2.gz JJWVFOSHDXSAMW-ATZDWAIDSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971560737 762912537 /nfs/dbraw/zinc/91/25/37/762912537.db2.gz JJWVFOSHDXSAMW-ATZDWAIDSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971560737 762912539 /nfs/dbraw/zinc/91/25/39/762912539.db2.gz JJWVFOSHDXSAMW-ATZDWAIDSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000971568163 762914097 /nfs/dbraw/zinc/91/40/97/762914097.db2.gz WLIHBECUWUOMLS-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC000971568163 762914099 /nfs/dbraw/zinc/91/40/99/762914099.db2.gz WLIHBECUWUOMLS-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC000971568163 762914107 /nfs/dbraw/zinc/91/41/07/762914107.db2.gz WLIHBECUWUOMLS-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997597380 765069300 /nfs/dbraw/zinc/06/93/00/765069300.db2.gz UKVURVBQRIZOGV-FFZOFVMBSA-N 2 1 351.579 3.370 20 0 FGADMP Cc1cc(Cl)ccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999191287 765143808 /nfs/dbraw/zinc/14/38/08/765143808.db2.gz XDASYGCIIXJPAL-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375639 765590390 /nfs/dbraw/zinc/59/03/90/765590390.db2.gz FLPOPQHVSLHOJR-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375639 765590399 /nfs/dbraw/zinc/59/03/99/765590399.db2.gz FLPOPQHVSLHOJR-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375639 765590406 /nfs/dbraw/zinc/59/04/06/765590406.db2.gz FLPOPQHVSLHOJR-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375639 765590411 /nfs/dbraw/zinc/59/04/11/765590411.db2.gz FLPOPQHVSLHOJR-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375639 765590417 /nfs/dbraw/zinc/59/04/17/765590417.db2.gz FLPOPQHVSLHOJR-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(C[NH+](C)C[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001017132549 765830685 /nfs/dbraw/zinc/83/06/85/765830685.db2.gz LGIQWHIYDYNBDK-ZHALLVOQSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001017132549 765830688 /nfs/dbraw/zinc/83/06/88/765830688.db2.gz LGIQWHIYDYNBDK-ZHALLVOQSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001017132549 765830695 /nfs/dbraw/zinc/83/06/95/765830695.db2.gz LGIQWHIYDYNBDK-ZHALLVOQSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@H+]1C ZINC001020174917 765867352 /nfs/dbraw/zinc/86/73/52/765867352.db2.gz XWDIALLGAZCRBD-CADBVGFASA-N 2 1 363.933 3.116 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001022105052 765974171 /nfs/dbraw/zinc/97/41/71/765974171.db2.gz MSEANGPQYIPUAF-FHXAZYNBSA-N 2 1 367.896 3.117 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001026855712 766083461 /nfs/dbraw/zinc/08/34/61/766083461.db2.gz MCTRERQRMGQRQY-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001028552164 766124428 /nfs/dbraw/zinc/12/44/28/766124428.db2.gz IEWGGKDPFRBTIN-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001028552164 766124434 /nfs/dbraw/zinc/12/44/34/766124434.db2.gz IEWGGKDPFRBTIN-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001028552164 766124437 /nfs/dbraw/zinc/12/44/37/766124437.db2.gz IEWGGKDPFRBTIN-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001034647395 766243435 /nfs/dbraw/zinc/24/34/35/766243435.db2.gz GVFSHMCRXSNKOQ-UTRMSSBJSA-N 2 1 363.933 3.197 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021879 724381681 /nfs/dbraw/zinc/38/16/81/724381681.db2.gz ZKKXFNJUXXKEDG-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000048745019 257344112 /nfs/dbraw/zinc/34/41/12/257344112.db2.gz VGYQUOPXNHCRFQ-SFHVURJKSA-N 2 1 367.493 3.379 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000056154634 257348819 /nfs/dbraw/zinc/34/88/19/257348819.db2.gz OASFBQNQCQYBRG-UTKZUKDTSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000056154634 257348821 /nfs/dbraw/zinc/34/88/21/257348821.db2.gz OASFBQNQCQYBRG-UTKZUKDTSA-N 2 1 351.494 3.377 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000567983129 505590179 /nfs/dbraw/zinc/59/01/79/505590179.db2.gz QXBFAJIOJDZQPR-FXAWDEMLSA-N 2 1 371.550 3.323 20 0 FGADMP CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576761695 505588448 /nfs/dbraw/zinc/58/84/48/505588448.db2.gz UBAJCBUNPHFIQO-UHFFFAOYSA-N 2 1 351.494 3.491 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000568188809 505638875 /nfs/dbraw/zinc/63/88/75/505638875.db2.gz SHKMFTYKTIXLIK-FQEVSTJZSA-N 2 1 369.553 3.029 20 0 FGADMP Cc1ccnc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000571104013 505654805 /nfs/dbraw/zinc/65/48/05/505654805.db2.gz JTVKOEXNROGRCD-NRFANRHFSA-N 2 1 351.494 3.212 20 0 FGADMP Cc1ccnc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000571104013 505654808 /nfs/dbraw/zinc/65/48/08/505654808.db2.gz JTVKOEXNROGRCD-NRFANRHFSA-N 2 1 351.494 3.212 20 0 FGADMP CC[C@@H](CO)[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccccc1 ZINC000573960730 505661107 /nfs/dbraw/zinc/66/11/07/505661107.db2.gz FWAQJVHNBDUTCU-FQEVSTJZSA-N 2 1 350.466 3.349 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086701 505661750 /nfs/dbraw/zinc/66/17/50/505661750.db2.gz AVBPKZYFVCNSNR-AZUAARDMSA-N 2 1 361.505 3.151 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000577171869 505679281 /nfs/dbraw/zinc/67/92/81/505679281.db2.gz DXCUWSRLXRLAHE-AUSIDOKSSA-N 2 1 368.521 3.379 20 0 FGADMP Clc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCCO2 ZINC000047968543 493767510 /nfs/dbraw/zinc/76/75/10/493767510.db2.gz BIIYHXCMEVJJAB-UHFFFAOYSA-N 2 1 350.890 3.419 20 0 FGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000075885839 493790311 /nfs/dbraw/zinc/79/03/11/493790311.db2.gz HVXIWAGMRALQOJ-OAQYLSRUSA-N 2 1 359.558 3.237 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000049553912 493875622 /nfs/dbraw/zinc/87/56/22/493875622.db2.gz GYZDUZCZEUTYHR-LBPRGKRZSA-N 2 1 359.308 3.286 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029691 493893580 /nfs/dbraw/zinc/89/35/80/493893580.db2.gz PQBLHAJPSWWISD-RBUKOAKNSA-N 2 1 357.523 3.132 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569789 493919756 /nfs/dbraw/zinc/91/97/56/493919756.db2.gz SNHSTVWISQTIRQ-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569789 493919759 /nfs/dbraw/zinc/91/97/59/493919759.db2.gz SNHSTVWISQTIRQ-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000081569789 493919761 /nfs/dbraw/zinc/91/97/61/493919761.db2.gz SNHSTVWISQTIRQ-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]CCn3cc[nH+]c3C)c2)cc1 ZINC000052120109 494006202 /nfs/dbraw/zinc/00/62/02/494006202.db2.gz ISOWZYQXMMBSKB-UHFFFAOYSA-N 2 1 364.449 3.242 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000052289487 494016524 /nfs/dbraw/zinc/01/65/24/494016524.db2.gz TWNNOCSTPSRGIK-KRWDZBQOSA-N 2 1 369.513 3.065 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000052289487 494016529 /nfs/dbraw/zinc/01/65/29/494016529.db2.gz TWNNOCSTPSRGIK-KRWDZBQOSA-N 2 1 369.513 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203212 494032906 /nfs/dbraw/zinc/03/29/06/494032906.db2.gz VSQQVUVQWWPQQQ-INIZCTEOSA-N 2 1 357.502 3.048 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000577275443 505698919 /nfs/dbraw/zinc/69/89/19/505698919.db2.gz YKZIFMBMHCVBSW-POAQFYNOSA-N 2 1 362.514 3.463 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)[C@H]1c1cccs1 ZINC000577275443 505698920 /nfs/dbraw/zinc/69/89/20/505698920.db2.gz YKZIFMBMHCVBSW-POAQFYNOSA-N 2 1 362.514 3.463 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)c1 ZINC000064226375 494107530 /nfs/dbraw/zinc/10/75/30/494107530.db2.gz PVKUMEIEZYLLFW-AVRDEDQJSA-N 2 1 374.573 3.448 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000086248227 494146827 /nfs/dbraw/zinc/14/68/27/494146827.db2.gz AVOMJRZITSUVFQ-INIZCTEOSA-N 2 1 354.498 3.478 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CCC(Nc3cccc(C)[nH+]3)CC2)CC1 ZINC000077804273 494182526 /nfs/dbraw/zinc/18/25/26/494182526.db2.gz IOQXFYJIQJUKPU-UHFFFAOYSA-N 2 1 373.545 3.240 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000088185408 494211033 /nfs/dbraw/zinc/21/10/33/494211033.db2.gz PFCHOOYRSVNCCA-UHFFFAOYSA-N 2 1 358.267 3.065 20 0 FGADMP C[N@H+](Cc1ccc(I)cc1)CC1CC[NH+](C)CC1 ZINC000088185739 494211335 /nfs/dbraw/zinc/21/13/35/494211335.db2.gz YLNRTCIVYFUPBT-UHFFFAOYSA-N 2 1 358.267 3.065 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859344 494268756 /nfs/dbraw/zinc/26/87/56/494268756.db2.gz AIGYMGCDZBUZEN-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859344 494268761 /nfs/dbraw/zinc/26/87/61/494268761.db2.gz AIGYMGCDZBUZEN-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000072859344 494268764 /nfs/dbraw/zinc/26/87/64/494268764.db2.gz AIGYMGCDZBUZEN-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000055171844 494309627 /nfs/dbraw/zinc/30/96/27/494309627.db2.gz GRUQICVVQBOBQC-LJQANCHMSA-N 2 1 355.482 3.298 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667674 494340786 /nfs/dbraw/zinc/34/07/86/494340786.db2.gz NKCHPAKIXJIKES-IKGGRYGDSA-N 2 1 363.571 3.043 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1c[nH+]ccc1N ZINC000577383050 505717770 /nfs/dbraw/zinc/71/77/70/505717770.db2.gz MJJRSSSNACUDEE-TZMCWYRMSA-N 2 1 369.419 3.301 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073639920 494405792 /nfs/dbraw/zinc/40/57/92/494405792.db2.gz LFBLSZPQYDYEHY-OAQYLSRUSA-N 2 1 372.557 3.017 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073639920 494405794 /nfs/dbraw/zinc/40/57/94/494405794.db2.gz LFBLSZPQYDYEHY-OAQYLSRUSA-N 2 1 372.557 3.017 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073639920 494405798 /nfs/dbraw/zinc/40/57/98/494405798.db2.gz LFBLSZPQYDYEHY-OAQYLSRUSA-N 2 1 372.557 3.017 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073639920 494405801 /nfs/dbraw/zinc/40/58/01/494405801.db2.gz LFBLSZPQYDYEHY-OAQYLSRUSA-N 2 1 372.557 3.017 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000073676892 494411994 /nfs/dbraw/zinc/41/19/94/494411994.db2.gz ZHLNWZSVOMCGPL-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073676892 494411998 /nfs/dbraw/zinc/41/19/98/494411998.db2.gz ZHLNWZSVOMCGPL-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000073676892 494412002 /nfs/dbraw/zinc/41/20/02/494412002.db2.gz ZHLNWZSVOMCGPL-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3ccccc3C2)CC1 ZINC000066960854 494446479 /nfs/dbraw/zinc/44/64/79/494446479.db2.gz ZVRCNSRWHFMNID-IBGZPJMESA-N 2 1 371.569 3.404 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000090542755 494479883 /nfs/dbraw/zinc/47/98/83/494479883.db2.gz WZUPHWVVZIQRGN-SFTDATJTSA-N 2 1 360.567 3.338 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000090585898 494484631 /nfs/dbraw/zinc/48/46/31/494484631.db2.gz FZTXDPKCEJXGJP-DLBZAZTESA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000090585898 494484635 /nfs/dbraw/zinc/48/46/35/494484635.db2.gz FZTXDPKCEJXGJP-DLBZAZTESA-N 2 1 352.544 3.109 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570691 505724195 /nfs/dbraw/zinc/72/41/95/505724195.db2.gz GIMLMSWSMBEQLD-WFXMLNOXSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@H]1C ZINC000046338945 494517505 /nfs/dbraw/zinc/51/75/05/494517505.db2.gz IJSRQQBIDRMDOB-UXHICEINSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@H]1C ZINC000046338945 494517509 /nfs/dbraw/zinc/51/75/09/494517509.db2.gz IJSRQQBIDRMDOB-UXHICEINSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000046338945 494517514 /nfs/dbraw/zinc/51/75/14/494517514.db2.gz IJSRQQBIDRMDOB-UXHICEINSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(Br)c2)C[C@H](C)O1 ZINC000067452704 494544262 /nfs/dbraw/zinc/54/42/62/494544262.db2.gz XWYMZLGBWIWPGO-BETUJISGSA-N 2 1 361.349 3.490 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000067507173 494554311 /nfs/dbraw/zinc/55/43/11/494554311.db2.gz ZPCOHUCGVBUEOF-GOSISDBHSA-N 2 1 369.509 3.489 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000067507173 494554315 /nfs/dbraw/zinc/55/43/15/494554315.db2.gz ZPCOHUCGVBUEOF-GOSISDBHSA-N 2 1 369.509 3.489 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000056764043 494558521 /nfs/dbraw/zinc/55/85/21/494558521.db2.gz PRVRELZFHQSHKC-IBGZPJMESA-N 2 1 358.530 3.178 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000079979163 494562611 /nfs/dbraw/zinc/56/26/11/494562611.db2.gz OSFYBQMSCVMIPS-UHFFFAOYSA-N 2 1 363.571 3.261 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000107834322 494608280 /nfs/dbraw/zinc/60/82/80/494608280.db2.gz JQENCAGHMIWAES-ZVDOUQERSA-N 2 1 374.573 3.347 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000107841527 494610482 /nfs/dbraw/zinc/61/04/82/494610482.db2.gz YBAHIYOMFLCLHW-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000115789718 494621113 /nfs/dbraw/zinc/62/11/13/494621113.db2.gz DQPQWOUVBHKWHW-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(Br)c1O ZINC000080199108 494635801 /nfs/dbraw/zinc/63/58/01/494635801.db2.gz MIPKUZKCMWLQND-LLVKDONJSA-N 2 1 368.275 3.094 20 0 FGADMP Cc1ccccc1-c1noc([C@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000074981838 494668077 /nfs/dbraw/zinc/66/80/77/494668077.db2.gz KMXGZFITGPKJPF-KRWDZBQOSA-N 2 1 370.497 3.150 20 0 FGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022648 494675456 /nfs/dbraw/zinc/67/54/56/494675456.db2.gz KLXIDJYUNXKABF-LAUBAEHRSA-N 2 1 357.542 3.196 20 0 FGADMP CC(=O)Nc1ccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000092644973 494693449 /nfs/dbraw/zinc/69/34/49/494693449.db2.gz MOOASFINKCXGLN-UHFFFAOYSA-N 2 1 367.497 3.153 20 0 FGADMP CC(=O)Nc1ccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000092644973 494693453 /nfs/dbraw/zinc/69/34/53/494693453.db2.gz MOOASFINKCXGLN-UHFFFAOYSA-N 2 1 367.497 3.153 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3)c2)C1 ZINC000108420814 494703209 /nfs/dbraw/zinc/70/32/09/494703209.db2.gz OXJGPKJMUTXXHG-LJQANCHMSA-N 2 1 371.912 3.327 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000075200297 494705222 /nfs/dbraw/zinc/70/52/22/494705222.db2.gz KOZKPNBDPKFUFR-QGZVFWFLSA-N 2 1 369.509 3.489 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000108428101 494706055 /nfs/dbraw/zinc/70/60/55/494706055.db2.gz UEURKQWBGJIYGI-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1F ZINC000092821149 494763745 /nfs/dbraw/zinc/76/37/45/494763745.db2.gz FOZVXVUOBVSEHX-UHFFFAOYSA-N 2 1 370.472 3.398 20 0 FGADMP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821427 494764467 /nfs/dbraw/zinc/76/44/67/494764467.db2.gz XXMNYDXYYOAGFV-GHTZIAJQSA-N 2 1 372.557 3.315 20 0 FGADMP CCCn1c(C)nnc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821728 494764576 /nfs/dbraw/zinc/76/45/76/494764576.db2.gz CMOSJHXISXAYOJ-UHFFFAOYSA-N 2 1 356.518 3.130 20 0 FGADMP CCCn1c(C)nnc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821728 494764583 /nfs/dbraw/zinc/76/45/83/494764583.db2.gz CMOSJHXISXAYOJ-UHFFFAOYSA-N 2 1 356.518 3.130 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000574295200 505740413 /nfs/dbraw/zinc/74/04/13/505740413.db2.gz HLDQFTGXSARXOE-DENIHFKCSA-N 2 1 373.541 3.070 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](n3cccn3)C2)CC1 ZINC000092967637 494797779 /nfs/dbraw/zinc/79/77/79/494797779.db2.gz OHZJNMXXRBJIRB-OAQYLSRUSA-N 2 1 367.541 3.252 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000121572848 494807509 /nfs/dbraw/zinc/80/75/09/494807509.db2.gz PXSGGUYLASFOMK-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000121572848 494807514 /nfs/dbraw/zinc/80/75/14/494807514.db2.gz PXSGGUYLASFOMK-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000121572848 494807519 /nfs/dbraw/zinc/80/75/19/494807519.db2.gz PXSGGUYLASFOMK-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP c1ncn(-c2ccc(C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)n1 ZINC000093016799 494809226 /nfs/dbraw/zinc/80/92/26/494809226.db2.gz RHIQTCGHQNJMSQ-HXUWFJFHSA-N 2 1 353.514 3.355 20 0 FGADMP c1ncn(-c2ccc(C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)cc2)n1 ZINC000093016799 494809231 /nfs/dbraw/zinc/80/92/31/494809231.db2.gz RHIQTCGHQNJMSQ-HXUWFJFHSA-N 2 1 353.514 3.355 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000132074463 494813219 /nfs/dbraw/zinc/81/32/19/494813219.db2.gz VZSWTKBXHIQBNZ-QFIPXVFZSA-N 2 1 356.485 3.026 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OCCC(C)C)cc3)C2)CC1 ZINC000093133155 494829941 /nfs/dbraw/zinc/82/99/41/494829941.db2.gz RHHMDFYNZMYFSC-NRFANRHFSA-N 2 1 359.558 3.323 20 0 FGADMP CC[N@@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818809 494925057 /nfs/dbraw/zinc/92/50/57/494925057.db2.gz CQHGHXRCJXYFNF-GOSISDBHSA-N 2 1 355.482 3.145 20 0 FGADMP CC[N@H+](Cc1c[nH]c(C(=O)OC)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818809 494925058 /nfs/dbraw/zinc/92/50/58/494925058.db2.gz CQHGHXRCJXYFNF-GOSISDBHSA-N 2 1 355.482 3.145 20 0 FGADMP CC[NH+](Cc1c[nH]c(C(=O)OC)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093818809 494925061 /nfs/dbraw/zinc/92/50/61/494925061.db2.gz CQHGHXRCJXYFNF-GOSISDBHSA-N 2 1 355.482 3.145 20 0 FGADMP CC[NH+](Cc1c[nH]c(C(=O)OC)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093818809 494925064 /nfs/dbraw/zinc/92/50/64/494925064.db2.gz CQHGHXRCJXYFNF-GOSISDBHSA-N 2 1 355.482 3.145 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000093844525 494927124 /nfs/dbraw/zinc/92/71/24/494927124.db2.gz MFPBIJNITWSYGM-KRWDZBQOSA-N 2 1 360.546 3.193 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000093844525 494927127 /nfs/dbraw/zinc/92/71/27/494927127.db2.gz MFPBIJNITWSYGM-KRWDZBQOSA-N 2 1 360.546 3.193 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(F)cc2)C(C)(C)C)CC1 ZINC000132814266 494927932 /nfs/dbraw/zinc/92/79/32/494927932.db2.gz IYLZECUKVQIBSA-UHFFFAOYSA-N 2 1 363.521 3.415 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)C(C)C ZINC000127600863 494968291 /nfs/dbraw/zinc/96/82/91/494968291.db2.gz LVCGINOGLXSYFP-FQEVSTJZSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000127945927 495020558 /nfs/dbraw/zinc/02/05/58/495020558.db2.gz VTMDOUDKKPQIHG-GIVPXCGWSA-N 2 1 374.573 3.441 20 0 FGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000133651540 495041163 /nfs/dbraw/zinc/04/11/63/495041163.db2.gz NYTVHYXNJATDPH-OAQYLSRUSA-N 2 1 355.526 3.183 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123045156 495072463 /nfs/dbraw/zinc/07/24/63/495072463.db2.gz YAGNQGMZCHJAQD-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123045156 495072464 /nfs/dbraw/zinc/07/24/64/495072464.db2.gz YAGNQGMZCHJAQD-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123045156 495072465 /nfs/dbraw/zinc/07/24/65/495072465.db2.gz YAGNQGMZCHJAQD-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123045156 495072466 /nfs/dbraw/zinc/07/24/66/495072466.db2.gz YAGNQGMZCHJAQD-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP Cc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Br ZINC000134102986 495106316 /nfs/dbraw/zinc/10/63/16/495106316.db2.gz OXWGKMODTWUNFL-UHFFFAOYSA-N 2 1 367.331 3.302 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123327013 495115349 /nfs/dbraw/zinc/11/53/49/495115349.db2.gz RDYBNAUZJWDOAB-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123327013 495115353 /nfs/dbraw/zinc/11/53/53/495115353.db2.gz RDYBNAUZJWDOAB-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123327013 495115355 /nfs/dbraw/zinc/11/53/55/495115355.db2.gz RDYBNAUZJWDOAB-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123327013 495115358 /nfs/dbraw/zinc/11/53/58/495115358.db2.gz RDYBNAUZJWDOAB-UKRRQHHQSA-N 2 1 353.894 3.092 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111875359 495123539 /nfs/dbraw/zinc/12/35/39/495123539.db2.gz QSXDSCCEYNECKO-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1F ZINC000112545892 495204314 /nfs/dbraw/zinc/20/43/14/495204314.db2.gz LJQZWNZCYLIHBX-APWZRJJASA-N 2 1 369.484 3.374 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000135124391 495253803 /nfs/dbraw/zinc/25/38/03/495253803.db2.gz MKMPFJYCVYJGKZ-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000135124391 495253806 /nfs/dbraw/zinc/25/38/06/495253806.db2.gz MKMPFJYCVYJGKZ-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000124368874 495277255 /nfs/dbraw/zinc/27/72/55/495277255.db2.gz QAIFMAUVURRKTR-OAHLLOKOSA-N 2 1 368.363 3.373 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1SC ZINC000124491231 495296309 /nfs/dbraw/zinc/29/63/09/495296309.db2.gz FNZGNXLXZDNEJY-MRXNPFEDSA-N 2 1 365.587 3.341 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(F)c2)[C@H](C)C1 ZINC000124511932 495299870 /nfs/dbraw/zinc/29/98/70/495299870.db2.gz LHOJOVFUJMJGCQ-HLIPFELVSA-N 2 1 352.494 3.320 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000105091428 495335920 /nfs/dbraw/zinc/33/59/20/495335920.db2.gz BFZXANSFLVZJDI-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP COc1cccc(OCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000130091163 495339533 /nfs/dbraw/zinc/33/95/33/495339533.db2.gz XXGKVVWAZRBWBZ-UHFFFAOYSA-N 2 1 355.482 3.317 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310020 495349219 /nfs/dbraw/zinc/34/92/19/495349219.db2.gz CKOJVFYYOMUIFO-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+](C)C1CC1 ZINC000105269538 495350592 /nfs/dbraw/zinc/35/05/92/495350592.db2.gz AURUXWVQFOJJLC-GOSISDBHSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000105269538 495350597 /nfs/dbraw/zinc/35/05/97/495350597.db2.gz AURUXWVQFOJJLC-GOSISDBHSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000105269538 495350599 /nfs/dbraw/zinc/35/05/99/495350599.db2.gz AURUXWVQFOJJLC-GOSISDBHSA-N 2 1 372.557 3.023 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCC[N@@H+](C)C3CCCC3)C2)CC1 ZINC000105294810 495353318 /nfs/dbraw/zinc/35/33/18/495353318.db2.gz JMEDUARPCBRASV-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000124913547 495362836 /nfs/dbraw/zinc/36/28/36/495362836.db2.gz BHVNXRYPYUABPZ-HXUWFJFHSA-N 2 1 366.594 3.166 20 0 FGADMP CC1CC[NH+](Cc2ccc(NC(=O)C[N@H+](C)[C@@H]3CCSC3)cc2)CC1 ZINC000136320053 495371889 /nfs/dbraw/zinc/37/18/89/495371889.db2.gz VHSQEYPBRXGHAH-LJQANCHMSA-N 2 1 361.555 3.294 20 0 FGADMP CC1CC[NH+](Cc2ccc(NC(=O)C[N@@H+](C)[C@@H]3CCSC3)cc2)CC1 ZINC000136320053 495371895 /nfs/dbraw/zinc/37/18/95/495371895.db2.gz VHSQEYPBRXGHAH-LJQANCHMSA-N 2 1 361.555 3.294 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)[C@H]2CCc3ccccc32)CC1 ZINC000114455609 495376316 /nfs/dbraw/zinc/37/63/16/495376316.db2.gz ODMUOULKMGQCID-NRFANRHFSA-N 2 1 355.526 3.127 20 0 FGADMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@@H]4O)CC3)c2O1 ZINC000136582683 495388475 /nfs/dbraw/zinc/38/84/75/495388475.db2.gz OCLBOYGOASIODU-PMACEKPBSA-N 2 1 358.526 3.258 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000130555595 495410319 /nfs/dbraw/zinc/41/03/19/495410319.db2.gz LSYAXYSIAHMEDV-LJQANCHMSA-N 2 1 359.514 3.251 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000130555595 495410322 /nfs/dbraw/zinc/41/03/22/495410322.db2.gz LSYAXYSIAHMEDV-LJQANCHMSA-N 2 1 359.514 3.251 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114786231 495424148 /nfs/dbraw/zinc/42/41/48/495424148.db2.gz MXFDFKFFSSPIAP-HXUWFJFHSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000130705035 495432430 /nfs/dbraw/zinc/43/24/30/495432430.db2.gz RZRVMEBCHFYFMO-IBGZPJMESA-N 2 1 358.461 3.157 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000130705035 495432433 /nfs/dbraw/zinc/43/24/33/495432433.db2.gz RZRVMEBCHFYFMO-IBGZPJMESA-N 2 1 358.461 3.157 20 0 FGADMP C[N@@H+](C[C@H](O)CN[C@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543613 505782570 /nfs/dbraw/zinc/78/25/70/505782570.db2.gz LMFBAAUUAIOWHC-NQIIRXRSSA-N 2 1 352.478 3.222 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000106527167 495462910 /nfs/dbraw/zinc/46/29/10/495462910.db2.gz PGVCWZSBZSBESB-HXUWFJFHSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106527167 495462912 /nfs/dbraw/zinc/46/29/12/495462912.db2.gz PGVCWZSBZSBESB-HXUWFJFHSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106527167 495462916 /nfs/dbraw/zinc/46/29/16/495462916.db2.gz PGVCWZSBZSBESB-HXUWFJFHSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125562672 495462900 /nfs/dbraw/zinc/46/29/00/495462900.db2.gz HIJTWXBPTMBIEE-JCGIZDLHSA-N 2 1 369.912 3.174 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000130920547 495467064 /nfs/dbraw/zinc/46/70/64/495467064.db2.gz WMAZGFCTRXMSET-DOTOQJQBSA-N 2 1 360.527 3.327 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000130920547 495467069 /nfs/dbraw/zinc/46/70/69/495467069.db2.gz WMAZGFCTRXMSET-DOTOQJQBSA-N 2 1 360.527 3.327 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966603 495486432 /nfs/dbraw/zinc/48/64/32/495486432.db2.gz UQUQDSAXMIUREO-YOEHRIQHSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966603 495486434 /nfs/dbraw/zinc/48/64/34/495486434.db2.gz UQUQDSAXMIUREO-YOEHRIQHSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966603 495486438 /nfs/dbraw/zinc/48/64/38/495486438.db2.gz UQUQDSAXMIUREO-YOEHRIQHSA-N 2 1 369.431 3.450 20 0 FGADMP CCc1nocc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000577752887 505785509 /nfs/dbraw/zinc/78/55/09/505785509.db2.gz BWLREHUMBGNVQD-HXUWFJFHSA-N 2 1 369.509 3.255 20 0 FGADMP CCc1nocc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000577752887 505785511 /nfs/dbraw/zinc/78/55/11/505785511.db2.gz BWLREHUMBGNVQD-HXUWFJFHSA-N 2 1 369.509 3.255 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)c1ccccc1 ZINC000115444279 495505376 /nfs/dbraw/zinc/50/53/76/495505376.db2.gz SVKMOIWJLKFBPT-IBGZPJMESA-N 2 1 357.523 3.132 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000107368164 495526017 /nfs/dbraw/zinc/52/60/17/495526017.db2.gz LHRJBDTTXSPIAU-KRWDZBQOSA-N 2 1 358.917 3.100 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000107370030 495526077 /nfs/dbraw/zinc/52/60/77/495526077.db2.gz XCNYLYDJIKYVOU-SFHVURJKSA-N 2 1 374.916 3.207 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386442 495526753 /nfs/dbraw/zinc/52/67/53/495526753.db2.gz KSLBKIRLCBTRTQ-KRWDZBQOSA-N 2 1 362.518 3.013 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000107386440 495526799 /nfs/dbraw/zinc/52/67/99/495526799.db2.gz KSLBKIRLCBTRTQ-QGZVFWFLSA-N 2 1 362.518 3.013 20 0 FGADMP C[C@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362713 495534019 /nfs/dbraw/zinc/53/40/19/495534019.db2.gz NPDFUKVYEODCFC-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176191322 495538685 /nfs/dbraw/zinc/53/86/85/495538685.db2.gz IVROYGJGMWHNDO-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C1CC1)C1CC1 ZINC000170644282 495543394 /nfs/dbraw/zinc/54/33/94/495543394.db2.gz NAVHNWWYPFAQJR-UHFFFAOYSA-N 2 1 373.566 3.294 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[NH+](C)C2)c1 ZINC000170913792 495650167 /nfs/dbraw/zinc/65/01/67/495650167.db2.gz JIHWELSDTACSBN-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000170913792 495650169 /nfs/dbraw/zinc/65/01/69/495650169.db2.gz JIHWELSDTACSBN-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000170913792 495650171 /nfs/dbraw/zinc/65/01/71/495650171.db2.gz JIHWELSDTACSBN-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CC[C@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631694 495653939 /nfs/dbraw/zinc/65/39/39/495653939.db2.gz KEQKMWZYKKRJGZ-LPHOPBHVSA-N 2 1 361.555 3.294 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185702013 495687689 /nfs/dbraw/zinc/68/76/89/495687689.db2.gz YUOXFKKSJZKDBP-SJORKVTESA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185702013 495687694 /nfs/dbraw/zinc/68/76/94/495687694.db2.gz YUOXFKKSJZKDBP-SJORKVTESA-N 2 1 361.505 3.027 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154677387 495692368 /nfs/dbraw/zinc/69/23/68/495692368.db2.gz JKMFYOLFOXIPGO-DOTOQJQBSA-N 2 1 358.448 3.273 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154677387 495692370 /nfs/dbraw/zinc/69/23/70/495692370.db2.gz JKMFYOLFOXIPGO-DOTOQJQBSA-N 2 1 358.448 3.273 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185765435 495717816 /nfs/dbraw/zinc/71/78/16/495717816.db2.gz HYBYRCJHHBGCFW-GJYPPUQNSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185765435 495717817 /nfs/dbraw/zinc/71/78/17/495717817.db2.gz HYBYRCJHHBGCFW-GJYPPUQNSA-N 2 1 371.525 3.459 20 0 FGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568897738 505802597 /nfs/dbraw/zinc/80/25/97/505802597.db2.gz ALGXCJGSJQMJEG-XMSQKQJNSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568897738 505802599 /nfs/dbraw/zinc/80/25/99/505802599.db2.gz ALGXCJGSJQMJEG-XMSQKQJNSA-N 2 1 366.509 3.103 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962692 495777182 /nfs/dbraw/zinc/77/71/82/495777182.db2.gz UTSMCAQSIYLEKD-IBGZPJMESA-N 2 1 374.573 3.015 20 0 FGADMP CCCNC(=O)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000179921767 495784260 /nfs/dbraw/zinc/78/42/60/495784260.db2.gz LKOISUIJLMWTQK-UHFFFAOYSA-N 2 1 359.558 3.383 20 0 FGADMP O=C(CC[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Nc1cccnc1 ZINC000574566954 505804141 /nfs/dbraw/zinc/80/41/41/505804141.db2.gz VROYIOJGPAUFRD-HXUWFJFHSA-N 2 1 366.509 3.302 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101086 495834315 /nfs/dbraw/zinc/83/43/15/495834315.db2.gz AHQKHCUHZNIMDV-IRXDYDNUSA-N 2 1 362.514 3.421 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101086 495834322 /nfs/dbraw/zinc/83/43/22/495834322.db2.gz AHQKHCUHZNIMDV-IRXDYDNUSA-N 2 1 362.514 3.421 20 0 FGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000568933754 505811153 /nfs/dbraw/zinc/81/11/53/505811153.db2.gz RYCPNAWECYBQKE-UHFFFAOYSA-N 3 1 360.590 3.381 20 0 FGADMP CCCN(CCC[NH+](C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000568933754 505811155 /nfs/dbraw/zinc/81/11/55/505811155.db2.gz RYCPNAWECYBQKE-UHFFFAOYSA-N 2 1 360.590 3.381 20 0 FGADMP CCC[N@H+](CCCN(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000568933754 505811158 /nfs/dbraw/zinc/81/11/58/505811158.db2.gz RYCPNAWECYBQKE-UHFFFAOYSA-N 2 1 360.590 3.381 20 0 FGADMP CCC[N@@H+](CCCN(C)C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000568933754 505811161 /nfs/dbraw/zinc/81/11/61/505811161.db2.gz RYCPNAWECYBQKE-UHFFFAOYSA-N 2 1 360.590 3.381 20 0 FGADMP Cn1c(C[NH+]2CCC(CC[NH+](C)C)CC2)nnc1-c1ccc(Cl)cc1 ZINC000186286644 495929336 /nfs/dbraw/zinc/92/93/36/495929336.db2.gz WVZLMUHFOUUHDH-UHFFFAOYSA-N 2 1 361.921 3.299 20 0 FGADMP CNC(=O)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174402764 495942293 /nfs/dbraw/zinc/94/22/93/495942293.db2.gz BGIZUFMVBYJIIE-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174402764 495942297 /nfs/dbraw/zinc/94/22/97/495942297.db2.gz BGIZUFMVBYJIIE-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174402764 495942300 /nfs/dbraw/zinc/94/23/00/495942300.db2.gz BGIZUFMVBYJIIE-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174402764 495942303 /nfs/dbraw/zinc/94/23/03/495942303.db2.gz BGIZUFMVBYJIIE-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174403872 495943764 /nfs/dbraw/zinc/94/37/64/495943764.db2.gz HHSUVVLCBFRJKE-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174403872 495943770 /nfs/dbraw/zinc/94/37/70/495943770.db2.gz HHSUVVLCBFRJKE-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174403872 495943775 /nfs/dbraw/zinc/94/37/75/495943775.db2.gz HHSUVVLCBFRJKE-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571781334 505814359 /nfs/dbraw/zinc/81/43/59/505814359.db2.gz MPTFFTSJELRKMS-WQZMEWCLSA-N 2 1 357.542 3.322 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000571781334 505814361 /nfs/dbraw/zinc/81/43/61/505814361.db2.gz MPTFFTSJELRKMS-WQZMEWCLSA-N 2 1 357.542 3.322 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000177181128 495963704 /nfs/dbraw/zinc/96/37/04/495963704.db2.gz SPFIRWAUIHVUHM-WIYYLYMNSA-N 2 1 372.557 3.069 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453652 495965928 /nfs/dbraw/zinc/96/59/28/495965928.db2.gz ZHWAWQLSNMQIHH-GIVPXCGWSA-N 2 1 372.557 3.256 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000171649804 495967883 /nfs/dbraw/zinc/96/78/83/495967883.db2.gz FIVFKVBQJAVUDN-PZZKWDHKSA-N 2 1 358.530 3.207 20 0 FGADMP CC[N@@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486019 495980085 /nfs/dbraw/zinc/98/00/85/495980085.db2.gz APUCAPDGLBNYDU-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CC[N@H+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486019 495980090 /nfs/dbraw/zinc/98/00/90/495980090.db2.gz APUCAPDGLBNYDU-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486019 495980093 /nfs/dbraw/zinc/98/00/93/495980093.db2.gz APUCAPDGLBNYDU-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1cccc(C(N)=O)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486019 495980098 /nfs/dbraw/zinc/98/00/98/495980098.db2.gz APUCAPDGLBNYDU-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP Cc1ccc([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)[NH+]2CCCC2)cc1 ZINC000183545581 496025110 /nfs/dbraw/zinc/02/51/10/496025110.db2.gz PVHZEFKQEIVHHR-FQEVSTJZSA-N 2 1 352.482 3.023 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000155793836 496070208 /nfs/dbraw/zinc/07/02/08/496070208.db2.gz ICWJHIGONHYBMV-GFCCVEGCSA-N 2 1 364.287 3.315 20 0 FGADMP CC(C)c1nccn1Cc1cccc(NC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000180642690 496082860 /nfs/dbraw/zinc/08/28/60/496082860.db2.gz WOXTYJAQQKCUMP-UHFFFAOYSA-N 2 1 355.486 3.224 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000180642690 496082868 /nfs/dbraw/zinc/08/28/68/496082868.db2.gz WOXTYJAQQKCUMP-UHFFFAOYSA-N 2 1 355.486 3.224 20 0 FGADMP Cc1cccc2nc(C[NH+]3CCC(CC[NH+]4C[C@H](C)O[C@@H](C)C4)CC3)cn21 ZINC000177490081 496083895 /nfs/dbraw/zinc/08/38/95/496083895.db2.gz ODQADQSKUYNTQZ-OALUTQOASA-N 2 1 370.541 3.354 20 0 FGADMP COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(Br)c1 ZINC000577945347 505824594 /nfs/dbraw/zinc/82/45/94/505824594.db2.gz WQUGFPRCOMUTNC-WMLDXEAASA-N 2 1 353.304 3.374 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000172054683 496142768 /nfs/dbraw/zinc/14/27/68/496142768.db2.gz AQJWFANNYBYENB-UHFFFAOYSA-N 2 1 368.525 3.350 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000172054683 496142772 /nfs/dbraw/zinc/14/27/72/496142772.db2.gz AQJWFANNYBYENB-UHFFFAOYSA-N 2 1 368.525 3.350 20 0 FGADMP O=C(NCc1cccc(Cn2ccnc2)c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177654517 496147609 /nfs/dbraw/zinc/14/76/09/496147609.db2.gz CQNASSXBJDYXMM-HXUWFJFHSA-N 2 1 366.509 3.202 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000172204428 496208136 /nfs/dbraw/zinc/20/81/36/496208136.db2.gz KTIBIDBFAHTEHW-QRVBRYPASA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000172204428 496208141 /nfs/dbraw/zinc/20/81/41/496208141.db2.gz KTIBIDBFAHTEHW-QRVBRYPASA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000172204428 496208144 /nfs/dbraw/zinc/20/81/44/496208144.db2.gz KTIBIDBFAHTEHW-QRVBRYPASA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000172204428 496208147 /nfs/dbraw/zinc/20/81/47/496208147.db2.gz KTIBIDBFAHTEHW-QRVBRYPASA-N 2 1 364.505 3.152 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000177849343 496221769 /nfs/dbraw/zinc/22/17/69/496221769.db2.gz HQBQSZXQOXJPRY-SFHVURJKSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000177849343 496221775 /nfs/dbraw/zinc/22/17/75/496221775.db2.gz HQBQSZXQOXJPRY-SFHVURJKSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000177849343 496221778 /nfs/dbraw/zinc/22/17/78/496221778.db2.gz HQBQSZXQOXJPRY-SFHVURJKSA-N 2 1 360.546 3.010 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000177886064 496239286 /nfs/dbraw/zinc/23/92/86/496239286.db2.gz YQGGPMGJHWOWEB-CQSZACIVSA-N 2 1 355.320 3.081 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000152744933 496244018 /nfs/dbraw/zinc/24/40/18/496244018.db2.gz MIWFOPPXOARQRW-VYDXJSESSA-N 2 1 366.347 3.348 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000156494707 496261524 /nfs/dbraw/zinc/26/15/24/496261524.db2.gz XOBFLPHAUBWJRM-UHFFFAOYSA-N 2 1 365.521 3.233 20 0 FGADMP Clc1cnn2cc(CC[NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)cnc12 ZINC000580768027 505834164 /nfs/dbraw/zinc/83/41/64/505834164.db2.gz JGKAWXHWPDLBBG-AEFFLSMTSA-N 2 1 355.873 3.008 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000152904136 496291682 /nfs/dbraw/zinc/29/16/82/496291682.db2.gz VRTGWNVWRJDVNE-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000152904136 496291692 /nfs/dbraw/zinc/29/16/92/496291692.db2.gz VRTGWNVWRJDVNE-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000152904136 496291698 /nfs/dbraw/zinc/29/16/98/496291698.db2.gz VRTGWNVWRJDVNE-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000152904136 496291705 /nfs/dbraw/zinc/29/17/05/496291705.db2.gz VRTGWNVWRJDVNE-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000152904136 496291715 /nfs/dbraw/zinc/29/17/15/496291715.db2.gz VRTGWNVWRJDVNE-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cncc(C)c3)cc2)CC1 ZINC000184282373 496318877 /nfs/dbraw/zinc/31/88/77/496318877.db2.gz JRCBGFYTEHRHPB-LJQANCHMSA-N 2 1 352.526 3.378 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c(OC)c1 ZINC000162300024 496331159 /nfs/dbraw/zinc/33/11/59/496331159.db2.gz QSJMLMKVRJUTDW-HNNXBMFYSA-N 2 1 370.497 3.430 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000156925241 496365791 /nfs/dbraw/zinc/36/57/91/496365791.db2.gz FJGAJVUIVXGDCA-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000156925241 496365796 /nfs/dbraw/zinc/36/57/96/496365796.db2.gz FJGAJVUIVXGDCA-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925241 496365802 /nfs/dbraw/zinc/36/58/02/496365802.db2.gz FJGAJVUIVXGDCA-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925241 496365807 /nfs/dbraw/zinc/36/58/07/496365807.db2.gz FJGAJVUIVXGDCA-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000156947088 496370920 /nfs/dbraw/zinc/37/09/20/496370920.db2.gz CMUNJUFMQGXUSV-HXUWFJFHSA-N 2 1 362.514 3.391 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357082 496407781 /nfs/dbraw/zinc/40/77/81/496407781.db2.gz SYSKEFJKEZYGEK-QFBILLFUSA-N 2 1 355.526 3.338 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+]1CCCC1 ZINC000175515150 496422157 /nfs/dbraw/zinc/42/21/57/496422157.db2.gz XSKQRJAVUSUKOM-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869681 496425482 /nfs/dbraw/zinc/42/54/82/496425482.db2.gz BDAAQIQEBIMBNE-KGVIQGDOSA-N 2 1 364.537 3.463 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869681 496425485 /nfs/dbraw/zinc/42/54/85/496425485.db2.gz BDAAQIQEBIMBNE-KGVIQGDOSA-N 2 1 364.537 3.463 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172812245 496442878 /nfs/dbraw/zinc/44/28/78/496442878.db2.gz MKRKQMAQFQERHI-INIZCTEOSA-N 2 1 357.498 3.489 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000178405542 496444086 /nfs/dbraw/zinc/44/40/86/496444086.db2.gz ADGUUAZRJFVUOQ-INIZCTEOSA-N 2 1 373.522 3.260 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187454067 496447104 /nfs/dbraw/zinc/44/71/04/496447104.db2.gz TXWWYUBTXUBKLK-HXUWFJFHSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187454067 496447107 /nfs/dbraw/zinc/44/71/07/496447107.db2.gz TXWWYUBTXUBKLK-HXUWFJFHSA-N 2 1 368.525 3.423 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640617 496477794 /nfs/dbraw/zinc/47/77/94/496477794.db2.gz IIXLNEVKIQAZAU-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640617 496477796 /nfs/dbraw/zinc/47/77/96/496477796.db2.gz IIXLNEVKIQAZAU-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640617 496477798 /nfs/dbraw/zinc/47/77/98/496477798.db2.gz IIXLNEVKIQAZAU-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000569085752 505849223 /nfs/dbraw/zinc/84/92/23/505849223.db2.gz UJWREMVDHCDCEB-LMMKCTJWSA-N 2 1 372.538 3.130 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000153779300 496577419 /nfs/dbraw/zinc/57/74/19/496577419.db2.gz MFMHTDAEWMIUBV-INIZCTEOSA-N 2 1 371.319 3.221 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000153779300 496577423 /nfs/dbraw/zinc/57/74/23/496577423.db2.gz MFMHTDAEWMIUBV-INIZCTEOSA-N 2 1 371.319 3.221 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000157968792 496597578 /nfs/dbraw/zinc/59/75/78/496597578.db2.gz PGHBKWKTWZKLEP-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574783999 505854995 /nfs/dbraw/zinc/85/49/95/505854995.db2.gz JEXPZOFPTFCKIC-FCGDIQPGSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574784001 505855028 /nfs/dbraw/zinc/85/50/28/505855028.db2.gz JEXPZOFPTFCKIC-RDGPPVDQSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H](c1ccccc1Cl)N1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000580867481 505856347 /nfs/dbraw/zinc/85/63/47/505856347.db2.gz LUODTBLDVMFRIC-INIZCTEOSA-N 2 1 363.933 3.277 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000165214128 496652495 /nfs/dbraw/zinc/65/24/95/496652495.db2.gz JTNYQQYFYAVSLY-UHFFFAOYSA-N 2 1 371.447 3.174 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215202 496709715 /nfs/dbraw/zinc/70/97/15/496709715.db2.gz IZKUSQWKBQIBTK-QHAWAJNXSA-N 2 1 372.557 3.195 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176171986 496712931 /nfs/dbraw/zinc/71/29/31/496712931.db2.gz UAOZTNJPFUTXMD-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176171986 496712932 /nfs/dbraw/zinc/71/29/32/496712932.db2.gz UAOZTNJPFUTXMD-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(OC)c1 ZINC000182261254 496722511 /nfs/dbraw/zinc/72/25/11/496722511.db2.gz NQPVUBGOHVCBTQ-LPHOPBHVSA-N 2 1 370.493 3.121 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185310001 496727122 /nfs/dbraw/zinc/72/71/22/496727122.db2.gz ZJAUFQCEEIDFAH-KRWDZBQOSA-N 2 1 363.550 3.172 20 0 FGADMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246964853 496737207 /nfs/dbraw/zinc/73/72/07/496737207.db2.gz OJKDNOKXHUMHBC-HNJRGHQBSA-N 2 1 355.526 3.159 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000247000575 496748459 /nfs/dbraw/zinc/74/84/59/496748459.db2.gz QCSUTTCWOYGYFG-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000247000575 496748460 /nfs/dbraw/zinc/74/84/60/496748460.db2.gz QCSUTTCWOYGYFG-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000247000575 496748461 /nfs/dbraw/zinc/74/84/61/496748461.db2.gz QCSUTTCWOYGYFG-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000273243878 496750748 /nfs/dbraw/zinc/75/07/48/496750748.db2.gz HXSBJDDEEBJTPT-DLBZAZTESA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000273243878 496750753 /nfs/dbraw/zinc/75/07/53/496750753.db2.gz HXSBJDDEEBJTPT-DLBZAZTESA-N 2 1 359.514 3.266 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049112 496763216 /nfs/dbraw/zinc/76/32/16/496763216.db2.gz NCVOCKZDCSRQAS-KGLIPLIRSA-N 2 1 368.319 3.098 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)COC2 ZINC000268730712 496768277 /nfs/dbraw/zinc/76/82/77/496768277.db2.gz MFLNEAJEPYTTTB-QGZVFWFLSA-N 2 1 352.478 3.400 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748880 496772396 /nfs/dbraw/zinc/77/23/96/496772396.db2.gz GUQQNHDWJYHMIC-OXQOHEQNSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748880 496772402 /nfs/dbraw/zinc/77/24/02/496772402.db2.gz GUQQNHDWJYHMIC-OXQOHEQNSA-N 2 1 352.482 3.320 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767941 496780163 /nfs/dbraw/zinc/78/01/63/496780163.db2.gz COFXEWPKBHMVES-IOMROCGXSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782184 496784043 /nfs/dbraw/zinc/78/40/43/496784043.db2.gz YJJQVAGCSLMCII-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782184 496784047 /nfs/dbraw/zinc/78/40/47/496784047.db2.gz YJJQVAGCSLMCII-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793332 496788064 /nfs/dbraw/zinc/78/80/64/496788064.db2.gz NBNLKHDQMDGJEO-HKUYNNGSSA-N 2 1 369.484 3.198 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793332 496788066 /nfs/dbraw/zinc/78/80/66/496788066.db2.gz NBNLKHDQMDGJEO-HKUYNNGSSA-N 2 1 369.484 3.198 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCS2 ZINC000191513417 496792910 /nfs/dbraw/zinc/79/29/10/496792910.db2.gz QSNQUGOGMFBSNV-QAPCUYQASA-N 2 1 350.528 3.059 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000191518006 496794357 /nfs/dbraw/zinc/79/43/57/496794357.db2.gz QMDAOFRAIRTLLI-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000191518006 496794365 /nfs/dbraw/zinc/79/43/65/496794365.db2.gz QMDAOFRAIRTLLI-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268856973 496805960 /nfs/dbraw/zinc/80/59/60/496805960.db2.gz LPXQUTILNDOXHF-UONOGXRCSA-N 2 1 360.470 3.065 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000268913249 496821900 /nfs/dbraw/zinc/82/19/00/496821900.db2.gz OOUQLKAFVMJYBY-HZPDHXFCSA-N 2 1 361.486 3.212 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247280391 496822905 /nfs/dbraw/zinc/82/29/05/496822905.db2.gz FWXRBGBGOLUCLN-GIVPXCGWSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247280391 496822908 /nfs/dbraw/zinc/82/29/08/496822908.db2.gz FWXRBGBGOLUCLN-GIVPXCGWSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247280391 496822911 /nfs/dbraw/zinc/82/29/11/496822911.db2.gz FWXRBGBGOLUCLN-GIVPXCGWSA-N 2 1 357.542 3.087 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299573 496828381 /nfs/dbraw/zinc/82/83/81/496828381.db2.gz ORWSHANNEACSCJ-QFBILLFUSA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299573 496828387 /nfs/dbraw/zinc/82/83/87/496828387.db2.gz ORWSHANNEACSCJ-QFBILLFUSA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299573 496828391 /nfs/dbraw/zinc/82/83/91/496828391.db2.gz ORWSHANNEACSCJ-QFBILLFUSA-N 2 1 362.493 3.144 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000268957352 496834147 /nfs/dbraw/zinc/83/41/47/496834147.db2.gz VYYAEKALLCJQIR-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000268957352 496834152 /nfs/dbraw/zinc/83/41/52/496834152.db2.gz VYYAEKALLCJQIR-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000268957352 496834158 /nfs/dbraw/zinc/83/41/58/496834158.db2.gz VYYAEKALLCJQIR-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000268957352 496834163 /nfs/dbraw/zinc/83/41/63/496834163.db2.gz VYYAEKALLCJQIR-ZFWWWQNUSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000268957349 496834356 /nfs/dbraw/zinc/83/43/56/496834356.db2.gz VYYAEKALLCJQIR-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1Cl ZINC000268957349 496834360 /nfs/dbraw/zinc/83/43/60/496834360.db2.gz VYYAEKALLCJQIR-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000268957349 496834363 /nfs/dbraw/zinc/83/43/63/496834363.db2.gz VYYAEKALLCJQIR-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000268957349 496834368 /nfs/dbraw/zinc/83/43/68/496834368.db2.gz VYYAEKALLCJQIR-DZGCQCFKSA-N 2 1 353.894 3.092 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000247340498 496839000 /nfs/dbraw/zinc/83/90/00/496839000.db2.gz ZUOPPJLKNXOZMF-UGKGYDQZSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000269309329 496916465 /nfs/dbraw/zinc/91/64/65/496916465.db2.gz VPHVIFUWSDJPDI-UTKZUKDTSA-N 2 1 366.509 3.103 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000248039168 496946435 /nfs/dbraw/zinc/94/64/35/496946435.db2.gz SGXUIDXCGBKIAF-UNEWFSDZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000248039168 496946440 /nfs/dbraw/zinc/94/64/40/496946440.db2.gz SGXUIDXCGBKIAF-UNEWFSDZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000248039168 496946443 /nfs/dbraw/zinc/94/64/43/496946443.db2.gz SGXUIDXCGBKIAF-UNEWFSDZSA-N 2 1 373.324 3.149 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039166 496946588 /nfs/dbraw/zinc/94/65/88/496946588.db2.gz SGXUIDXCGBKIAF-UKPHBRMFSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039166 496946593 /nfs/dbraw/zinc/94/65/93/496946593.db2.gz SGXUIDXCGBKIAF-UKPHBRMFSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000248039166 496946598 /nfs/dbraw/zinc/94/65/98/496946598.db2.gz SGXUIDXCGBKIAF-UKPHBRMFSA-N 2 1 373.324 3.149 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150306 496964405 /nfs/dbraw/zinc/96/44/05/496964405.db2.gz QSIKDCPIKALGNN-RHSMWYFYSA-N 2 1 358.404 3.380 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150306 496964410 /nfs/dbraw/zinc/96/44/10/496964410.db2.gz QSIKDCPIKALGNN-RHSMWYFYSA-N 2 1 358.404 3.380 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@H]21 ZINC000248150306 496964413 /nfs/dbraw/zinc/96/44/13/496964413.db2.gz QSIKDCPIKALGNN-RHSMWYFYSA-N 2 1 358.404 3.380 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1Br ZINC000248155072 496965862 /nfs/dbraw/zinc/96/58/62/496965862.db2.gz RFWSYWOITGHKEE-ZFWWWQNUSA-N 2 1 373.310 3.476 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248156827 496965918 /nfs/dbraw/zinc/96/59/18/496965918.db2.gz RMHJQXSILGVMEI-UWJYYQICSA-N 2 1 356.514 3.068 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000248156827 496965926 /nfs/dbraw/zinc/96/59/26/496965926.db2.gz RMHJQXSILGVMEI-UWJYYQICSA-N 3 1 356.514 3.068 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248156827 496965931 /nfs/dbraw/zinc/96/59/31/496965931.db2.gz RMHJQXSILGVMEI-UWJYYQICSA-N 3 1 356.514 3.068 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176815 496968819 /nfs/dbraw/zinc/96/88/19/496968819.db2.gz VSXYNODMGHWCIA-HIFRSBDPSA-N 2 1 373.310 3.476 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000248403325 496998865 /nfs/dbraw/zinc/99/88/65/496998865.db2.gz OMNAKIGIJQXZPK-LDVJMBRRSA-N 2 1 372.553 3.320 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248433632 497010655 /nfs/dbraw/zinc/01/06/55/497010655.db2.gz DITZSQBXVNUZME-MSOLQXFVSA-N 2 1 357.523 3.185 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000221570008 497019986 /nfs/dbraw/zinc/01/99/86/497019986.db2.gz YMWDPTMIFLSSOI-AQNXPRMDSA-N 2 1 366.594 3.308 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@H](C)c1nnnn1-c1ccccc1 ZINC000192183085 497026093 /nfs/dbraw/zinc/02/60/93/497026093.db2.gz JCWYRAAMRUHDBT-MRXNPFEDSA-N 2 1 359.437 3.007 20 0 FGADMP Cc1cccn2c(=O)cc(CN3CCC[C@@H](C[N@@H+]4CCCC[C@@H]4C)C3)nc12 ZINC000265006901 497030303 /nfs/dbraw/zinc/03/03/03/497030303.db2.gz FCRJVVYWKQIOCN-RBUKOAKNSA-N 2 1 368.525 3.089 20 0 FGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000574917380 505882776 /nfs/dbraw/zinc/88/27/76/505882776.db2.gz UWDUZZVGBIDOET-FGSXEWAUSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@@H+]1Cc1ccccc1 ZINC000274389325 497085643 /nfs/dbraw/zinc/08/56/43/497085643.db2.gz OAWKWUMUDOAJGL-FUHWJXTLSA-N 2 1 356.539 3.174 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@H+]1Cc1ccccc1 ZINC000274389325 497085648 /nfs/dbraw/zinc/08/56/48/497085648.db2.gz OAWKWUMUDOAJGL-FUHWJXTLSA-N 2 1 356.539 3.174 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000278363555 497088462 /nfs/dbraw/zinc/08/84/62/497088462.db2.gz FOVKNWNCBXFJRN-UHFFFAOYSA-N 2 1 360.477 3.353 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372974 497092331 /nfs/dbraw/zinc/09/23/31/497092331.db2.gz CJBJKTASECHUMM-UZLBHIALSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000248826707 497111593 /nfs/dbraw/zinc/11/15/93/497111593.db2.gz HEQKBBJHNWOEGI-APWZRJJASA-N 2 1 350.466 3.077 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248855028 497118914 /nfs/dbraw/zinc/11/89/14/497118914.db2.gz VSYNJOLFBSDIBS-FCGDIQPGSA-N 2 1 362.562 3.487 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000248855028 497118916 /nfs/dbraw/zinc/11/89/16/497118916.db2.gz VSYNJOLFBSDIBS-FCGDIQPGSA-N 2 1 362.562 3.487 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569235871 505886406 /nfs/dbraw/zinc/88/64/06/505886406.db2.gz REUJEGRJCLLVMB-LJQANCHMSA-N 2 1 367.493 3.088 20 0 FGADMP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000278574469 497156366 /nfs/dbraw/zinc/15/63/66/497156366.db2.gz GRIZLBMOJZCIEE-UHFFFAOYSA-N 2 1 369.553 3.028 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000192599378 497160272 /nfs/dbraw/zinc/16/02/72/497160272.db2.gz NFVWWGKRWGRTNT-QFBILLFUSA-N 2 1 361.555 3.122 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000192599363 497160736 /nfs/dbraw/zinc/16/07/36/497160736.db2.gz NFVWWGKRWGRTNT-VQIMIIECSA-N 2 1 361.555 3.122 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265704780 497164544 /nfs/dbraw/zinc/16/45/44/497164544.db2.gz AKLCGSKPTKZZNO-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000236904381 497166078 /nfs/dbraw/zinc/16/60/78/497166078.db2.gz JXHIBUHKKFOQRX-FQEVSTJZSA-N 2 1 351.494 3.130 20 0 FGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000236969170 497173439 /nfs/dbraw/zinc/17/34/39/497173439.db2.gz NVEJXEXHNNQQCV-UIFIKXQLSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000249203686 497180358 /nfs/dbraw/zinc/18/03/58/497180358.db2.gz VCEUTSBKCSOLNV-JTDSTZFVSA-N 2 1 360.477 3.117 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000249203686 497180363 /nfs/dbraw/zinc/18/03/63/497180363.db2.gz VCEUTSBKCSOLNV-JTDSTZFVSA-N 2 1 360.477 3.117 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192684942 497184921 /nfs/dbraw/zinc/18/49/21/497184921.db2.gz IGSTZVAKJPVUEE-YLJYHZDGSA-N 2 1 355.526 3.030 20 0 FGADMP CC(C)OCCN1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885461 497189937 /nfs/dbraw/zinc/18/99/37/497189937.db2.gz IIVNBYUVVROVBC-RBBKRZOGSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885461 497189940 /nfs/dbraw/zinc/18/99/40/497189940.db2.gz IIVNBYUVVROVBC-RBBKRZOGSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885461 497189946 /nfs/dbraw/zinc/18/99/46/497189946.db2.gz IIVNBYUVVROVBC-RBBKRZOGSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935614 497201373 /nfs/dbraw/zinc/20/13/73/497201373.db2.gz RWHOBDMSBZTCOJ-YTQUADARSA-N 2 1 369.475 3.371 20 0 FGADMP Cc1ccccc1[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)CO1 ZINC000192746769 497202300 /nfs/dbraw/zinc/20/23/00/497202300.db2.gz JLCLBIGCEYZGPN-IRLDBZIGSA-N 2 1 359.558 3.173 20 0 FGADMP COc1ccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc1Cl ZINC000270807997 497206593 /nfs/dbraw/zinc/20/65/93/497206593.db2.gz NLKRPGOKUKDSAZ-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP C[C@@H](c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237475246 497241856 /nfs/dbraw/zinc/24/18/56/497241856.db2.gz VSIFVZUHQOVERO-OXJNMPFZSA-N 2 1 353.466 3.108 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000237567122 497255931 /nfs/dbraw/zinc/25/59/31/497255931.db2.gz LSSNWVPQLIDJLZ-DUXKGJEZSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H](CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237577644 497258445 /nfs/dbraw/zinc/25/84/45/497258445.db2.gz RXZGIRIITWWKLC-RTBURBONSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCSCC1 ZINC000250090568 497260164 /nfs/dbraw/zinc/26/01/64/497260164.db2.gz QCXCALBGDMPHQR-RXVVDRJESA-N 2 1 361.599 3.487 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)nc(C)n1 ZINC000574972566 505895129 /nfs/dbraw/zinc/89/51/29/505895129.db2.gz VTGLPHULSQFSQN-NHCUHLMSSA-N 2 1 365.525 3.145 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000237673879 497274404 /nfs/dbraw/zinc/27/44/04/497274404.db2.gz BZKSUCXRBQXGBL-AVRDEDQJSA-N 2 1 365.521 3.277 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000271195337 497286930 /nfs/dbraw/zinc/28/69/30/497286930.db2.gz SRTUUWCTTYBEBE-INIZCTEOSA-N 2 1 368.481 3.113 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000271195337 497286937 /nfs/dbraw/zinc/28/69/37/497286937.db2.gz SRTUUWCTTYBEBE-INIZCTEOSA-N 2 1 368.481 3.113 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000252202312 497297938 /nfs/dbraw/zinc/29/79/38/497297938.db2.gz WMWOMEOCHMCJTL-YYIAUSFCSA-N 2 1 366.575 3.016 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCC[NH2+]C3CCCCCC3)CC2)[nH+]c1 ZINC000237874997 497306033 /nfs/dbraw/zinc/30/60/33/497306033.db2.gz XYDYMFFWVCZVHU-UHFFFAOYSA-N 2 1 358.530 3.035 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279030735 497309876 /nfs/dbraw/zinc/30/98/76/497309876.db2.gz WCGSBVIIWSAJKW-CVEARBPZSA-N 2 1 355.486 3.326 20 0 FGADMP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237925186 497314993 /nfs/dbraw/zinc/31/49/93/497314993.db2.gz PJFXMQSYCUEBRX-RBBKRZOGSA-N 2 1 365.521 3.147 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cn1cccn1 ZINC000279067030 497322706 /nfs/dbraw/zinc/32/27/06/497322706.db2.gz ZTADCSXKJSVXLU-IAGOWNOFSA-N 2 1 365.481 3.050 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)CC2 ZINC000574993370 505899810 /nfs/dbraw/zinc/89/98/10/505899810.db2.gz QRNQETSKWMZBLV-SFHVURJKSA-N 2 1 352.482 3.031 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000271558946 497383355 /nfs/dbraw/zinc/38/33/55/497383355.db2.gz WMRGAIJNTJMUDN-GIVPXCGWSA-N 2 1 350.510 3.303 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000271558946 497383358 /nfs/dbraw/zinc/38/33/58/497383358.db2.gz WMRGAIJNTJMUDN-GIVPXCGWSA-N 2 1 350.510 3.303 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCn3ccnc32)[C@H]1c1cccs1 ZINC000245416719 497394650 /nfs/dbraw/zinc/39/46/50/497394650.db2.gz IPJXNIOSEKRZGD-INMHGKMJSA-N 2 1 358.511 3.021 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421470 497397288 /nfs/dbraw/zinc/39/72/88/497397288.db2.gz NUJZEFVBCXWJMA-PZJWPPBQSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421470 497397289 /nfs/dbraw/zinc/39/72/89/497397289.db2.gz NUJZEFVBCXWJMA-PZJWPPBQSA-N 2 1 373.516 3.125 20 0 FGADMP CCCC[C@H](C(=O)Nc1cc(C)on1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245447315 497412397 /nfs/dbraw/zinc/41/23/97/497412397.db2.gz LZHPKHLVKXJNKL-IAGOWNOFSA-N 2 1 350.507 3.287 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n[nH]1 ZINC000275847374 497446912 /nfs/dbraw/zinc/44/69/12/497446912.db2.gz HRFMKZNVQJFCEL-NQIIRXRSSA-N 2 1 367.541 3.330 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n[nH]1 ZINC000275847374 497446916 /nfs/dbraw/zinc/44/69/16/497446916.db2.gz HRFMKZNVQJFCEL-NQIIRXRSSA-N 2 1 367.541 3.330 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245584428 497465516 /nfs/dbraw/zinc/46/55/16/497465516.db2.gz ACWXGTISJHWHDG-GHTZIAJQSA-N 2 1 372.557 3.084 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1)C1CC1 ZINC000261892046 497469532 /nfs/dbraw/zinc/46/95/32/497469532.db2.gz ZUQNWUWTYMFRPS-FCHUYYIVSA-N 2 1 363.505 3.238 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC000261951875 497481129 /nfs/dbraw/zinc/48/11/29/497481129.db2.gz GATVQSHPQWITRP-QFIPXVFZSA-N 2 1 352.478 3.460 20 0 FGADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC000261951875 497481134 /nfs/dbraw/zinc/48/11/34/497481134.db2.gz GATVQSHPQWITRP-QFIPXVFZSA-N 2 1 352.478 3.460 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262119786 497510478 /nfs/dbraw/zinc/51/04/78/497510478.db2.gz JMTJRVGBANUVMJ-IKGGRYGDSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262119786 497510481 /nfs/dbraw/zinc/51/04/81/497510481.db2.gz JMTJRVGBANUVMJ-IKGGRYGDSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118433 497511202 /nfs/dbraw/zinc/51/12/02/497511202.db2.gz JFGLJXHCSQJGGP-QZTJIDSGSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262118433 497511206 /nfs/dbraw/zinc/51/12/06/497511206.db2.gz JFGLJXHCSQJGGP-QZTJIDSGSA-N 2 1 367.896 3.119 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710040 497512598 /nfs/dbraw/zinc/51/25/98/497512598.db2.gz NAJSUWRUAOHWRS-BJESRGMDSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710040 497512601 /nfs/dbraw/zinc/51/26/01/497512601.db2.gz NAJSUWRUAOHWRS-BJESRGMDSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710040 497512604 /nfs/dbraw/zinc/51/26/04/497512604.db2.gz NAJSUWRUAOHWRS-BJESRGMDSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710040 497512607 /nfs/dbraw/zinc/51/26/07/497512607.db2.gz NAJSUWRUAOHWRS-BJESRGMDSA-N 2 1 371.569 3.009 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710040 497512609 /nfs/dbraw/zinc/51/26/09/497512609.db2.gz NAJSUWRUAOHWRS-BJESRGMDSA-N 2 1 371.569 3.009 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000272046987 497521463 /nfs/dbraw/zinc/52/14/63/497521463.db2.gz YQYWDZOOGUVASP-UHFFFAOYSA-N 2 1 367.497 3.438 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000272046987 497521468 /nfs/dbraw/zinc/52/14/68/497521468.db2.gz YQYWDZOOGUVASP-UHFFFAOYSA-N 2 1 367.497 3.438 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262236942 497527917 /nfs/dbraw/zinc/52/79/17/497527917.db2.gz OQOPDPURJWHSPL-WBVHZDCISA-N 2 1 363.571 3.126 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000262337552 497542010 /nfs/dbraw/zinc/54/20/10/497542010.db2.gz XMHKLLUWOUOKFO-GOSISDBHSA-N 2 1 371.447 3.257 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000262337552 497542017 /nfs/dbraw/zinc/54/20/17/497542017.db2.gz XMHKLLUWOUOKFO-GOSISDBHSA-N 2 1 371.447 3.257 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245836562 497547239 /nfs/dbraw/zinc/54/72/39/497547239.db2.gz HDDABOVDQSCIMS-HOTGVXAUSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245836562 497547246 /nfs/dbraw/zinc/54/72/46/497547246.db2.gz HDDABOVDQSCIMS-HOTGVXAUSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000245897929 497563262 /nfs/dbraw/zinc/56/32/62/497563262.db2.gz DGKWFCDUAWADFE-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000245897929 497563269 /nfs/dbraw/zinc/56/32/69/497563269.db2.gz DGKWFCDUAWADFE-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000245897929 497563276 /nfs/dbraw/zinc/56/32/76/497563276.db2.gz DGKWFCDUAWADFE-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272243543 497574576 /nfs/dbraw/zinc/57/45/76/497574576.db2.gz HAVOOSKRZRCXMG-WMZOPIPTSA-N 2 1 371.550 3.450 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000262675572 497597307 /nfs/dbraw/zinc/59/73/07/497597307.db2.gz UCCQWBZNNWBGLA-NPZYAJIESA-N 2 1 371.525 3.155 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)cc1 ZINC000194242175 497612061 /nfs/dbraw/zinc/61/20/61/497612061.db2.gz UDOOWTSWRLFNEM-UHFFFAOYSA-N 2 1 350.466 3.307 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000194260093 497616653 /nfs/dbraw/zinc/61/66/53/497616653.db2.gz VMIACRSBUJCQFW-YADHBBJMSA-N 2 1 352.526 3.033 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728335 497637899 /nfs/dbraw/zinc/63/78/99/497637899.db2.gz YGCRMEGOEXLQDK-MOPGFXCFSA-N 2 1 369.553 3.101 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000272502331 497645074 /nfs/dbraw/zinc/64/50/74/497645074.db2.gz NZRSYWVCEZCOCE-UHFFFAOYSA-N 2 1 361.864 3.011 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246276158 497680732 /nfs/dbraw/zinc/68/07/32/497680732.db2.gz APNBHYNMCDBESV-DWLFOUALSA-N 2 1 372.553 3.498 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246276158 497680739 /nfs/dbraw/zinc/68/07/39/497680739.db2.gz APNBHYNMCDBESV-DWLFOUALSA-N 2 1 372.553 3.498 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)CC(C)C ZINC000246344425 497702375 /nfs/dbraw/zinc/70/23/75/497702375.db2.gz FBRQQOLRBNCJPM-QYZOEREBSA-N 2 1 354.583 3.115 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000246381534 497714584 /nfs/dbraw/zinc/71/45/84/497714584.db2.gz KCDWMWOONJMWMO-DEICHXMPSA-N 2 1 374.447 3.055 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1F ZINC000246383609 497715498 /nfs/dbraw/zinc/71/54/98/497715498.db2.gz KGAXXMWJYNOUGM-ZOCIIQOWSA-N 2 1 350.478 3.253 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246398000 497720928 /nfs/dbraw/zinc/72/09/28/497720928.db2.gz JTRWKLKAUBCCDC-ZVDOUQERSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246398000 497720929 /nfs/dbraw/zinc/72/09/29/497720929.db2.gz JTRWKLKAUBCCDC-ZVDOUQERSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246398000 497720933 /nfs/dbraw/zinc/72/09/33/497720933.db2.gz JTRWKLKAUBCCDC-ZVDOUQERSA-N 2 1 374.573 3.269 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000569401066 505925232 /nfs/dbraw/zinc/92/52/32/505925232.db2.gz MVBOSYSOBVTBSL-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246430632 497732525 /nfs/dbraw/zinc/73/25/25/497732525.db2.gz MOUPDWGPUZYMPJ-RDGPPVDQSA-N 2 1 366.594 3.115 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246430632 497732531 /nfs/dbraw/zinc/73/25/31/497732531.db2.gz MOUPDWGPUZYMPJ-RDGPPVDQSA-N 2 1 366.594 3.115 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000246430632 497732538 /nfs/dbraw/zinc/73/25/38/497732538.db2.gz MOUPDWGPUZYMPJ-RDGPPVDQSA-N 2 1 366.594 3.115 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246482353 497748367 /nfs/dbraw/zinc/74/83/67/497748367.db2.gz VULMOYJEQOFEDH-FXAWDEMLSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272867536 497748537 /nfs/dbraw/zinc/74/85/37/497748537.db2.gz WBFPMQYMKPWRMJ-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000277134554 497752217 /nfs/dbraw/zinc/75/22/17/497752217.db2.gz OSZOIXNZLGSFRS-RXVVDRJESA-N 2 1 365.525 3.088 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000277134554 497752220 /nfs/dbraw/zinc/75/22/20/497752220.db2.gz OSZOIXNZLGSFRS-RXVVDRJESA-N 2 1 365.525 3.088 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000246526402 497763522 /nfs/dbraw/zinc/76/35/22/497763522.db2.gz UNELHFBQSFPROL-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)cc1O ZINC000277204344 497775741 /nfs/dbraw/zinc/77/57/41/497775741.db2.gz KCZWQOLDNBDKPF-HNNXBMFYSA-N 2 1 366.465 3.401 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272995201 497780785 /nfs/dbraw/zinc/78/07/85/497780785.db2.gz QPHYZUMAMRAXIV-GOSISDBHSA-N 2 1 370.541 3.487 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3csc(CC[NH3+])n3)cc2)C1 ZINC000194827574 497783974 /nfs/dbraw/zinc/78/39/74/497783974.db2.gz KWTBHRLCVVAPLQ-AWEZNQCLSA-N 2 1 358.511 3.129 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000572272316 505930921 /nfs/dbraw/zinc/93/09/21/505930921.db2.gz DLWCWDWCNSTJDN-QHAWAJNXSA-N 2 1 368.525 3.242 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000246846168 497815921 /nfs/dbraw/zinc/81/59/21/497815921.db2.gz BVWMKNFTBAUHQP-DEFDSWJHSA-N 2 1 351.535 3.235 20 0 FGADMP O=C1[C@H](N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000246925791 497820754 /nfs/dbraw/zinc/82/07/54/497820754.db2.gz SURWZHRVAZMTPL-UIAACRFSSA-N 2 1 373.928 3.394 20 0 FGADMP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(C(C)(C)C)s3)CC2)CC1 ZINC000575164044 505934279 /nfs/dbraw/zinc/93/42/79/505934279.db2.gz SIMTZKFOPNUEFE-UHFFFAOYSA-N 2 1 363.571 3.032 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@H]1C=CCCC1 ZINC000364214906 497843587 /nfs/dbraw/zinc/84/35/87/497843587.db2.gz NLRDJXXSIXVXSX-FQEVSTJZSA-N 2 1 361.574 3.388 20 0 FGADMP C[NH+](CCCCCO)Cc1cc(C[N@@H+](C)CCCCCO)ccc1F ZINC000295972645 497874833 /nfs/dbraw/zinc/87/48/33/497874833.db2.gz KIPQMGRNNJPZPR-UHFFFAOYSA-N 2 1 354.510 3.015 20 0 FGADMP C[NH+](CCCCCO)Cc1ccc(F)c(C[N@H+](C)CCCCCO)c1 ZINC000295972645 497874838 /nfs/dbraw/zinc/87/48/38/497874838.db2.gz KIPQMGRNNJPZPR-UHFFFAOYSA-N 2 1 354.510 3.015 20 0 FGADMP C[NH+](CCCCCO)Cc1ccc(F)c(C[N@@H+](C)CCCCCO)c1 ZINC000295972645 497874846 /nfs/dbraw/zinc/87/48/46/497874846.db2.gz KIPQMGRNNJPZPR-UHFFFAOYSA-N 2 1 354.510 3.015 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000299635437 497876747 /nfs/dbraw/zinc/87/67/47/497876747.db2.gz KFOPEIVZXRQKTE-UHFFFAOYSA-N 2 1 352.841 3.335 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000299635437 497876753 /nfs/dbraw/zinc/87/67/53/497876753.db2.gz KFOPEIVZXRQKTE-UHFFFAOYSA-N 2 1 352.841 3.335 20 0 FGADMP CC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279994 497877195 /nfs/dbraw/zinc/87/71/95/497877195.db2.gz GVNZFLMTTHUNRF-RTWAWAEBSA-N 2 1 372.557 3.256 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000569464339 505941734 /nfs/dbraw/zinc/94/17/34/505941734.db2.gz YJLQAWPHDOYTLJ-OAQYLSRUSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000569464339 505941736 /nfs/dbraw/zinc/94/17/36/505941736.db2.gz YJLQAWPHDOYTLJ-OAQYLSRUSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000569464339 505941737 /nfs/dbraw/zinc/94/17/37/505941737.db2.gz YJLQAWPHDOYTLJ-OAQYLSRUSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000569464339 505941740 /nfs/dbraw/zinc/94/17/40/505941740.db2.gz YJLQAWPHDOYTLJ-OAQYLSRUSA-N 2 1 373.516 3.125 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000572364198 505950634 /nfs/dbraw/zinc/95/06/34/505950634.db2.gz XSBRNJCXXUGVJZ-SFTDATJTSA-N 3 1 370.585 3.040 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310916 505958138 /nfs/dbraw/zinc/95/81/38/505958138.db2.gz TVDFOEGUAHPMTA-WOJBJXKFSA-N 3 1 370.585 3.039 20 0 FGADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301268410 498029394 /nfs/dbraw/zinc/02/93/94/498029394.db2.gz IXAVPAPCQGFQIH-UHFFFAOYSA-N 2 1 374.916 3.269 20 0 FGADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301268410 498029400 /nfs/dbraw/zinc/02/94/00/498029400.db2.gz IXAVPAPCQGFQIH-UHFFFAOYSA-N 2 1 374.916 3.269 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@@H]([NH+](C)C)CC2)cc[nH+]1 ZINC000330143151 498037221 /nfs/dbraw/zinc/03/72/21/498037221.db2.gz QZQCLROQKZLDRG-AOIWGVFYSA-N 2 1 361.534 3.013 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000578584915 505973020 /nfs/dbraw/zinc/97/30/20/505973020.db2.gz JYOIWDLHRYOFOQ-KRWDZBQOSA-N 2 1 360.420 3.344 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000578584915 505973023 /nfs/dbraw/zinc/97/30/23/505973023.db2.gz JYOIWDLHRYOFOQ-KRWDZBQOSA-N 2 1 360.420 3.344 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410754 498075397 /nfs/dbraw/zinc/07/53/97/498075397.db2.gz FVIILVIDBNXKGS-QVPXITGZSA-N 2 1 366.933 3.336 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000285410754 498075403 /nfs/dbraw/zinc/07/54/03/498075403.db2.gz FVIILVIDBNXKGS-QVPXITGZSA-N 2 1 366.933 3.336 20 0 FGADMP C[N@@H+](C[C@@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285492917 498106533 /nfs/dbraw/zinc/10/65/33/498106533.db2.gz MCYYSDBRDQXTBU-FCLJQHQZSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285492917 498106547 /nfs/dbraw/zinc/10/65/47/498106547.db2.gz MCYYSDBRDQXTBU-FCLJQHQZSA-N 2 1 353.304 3.040 20 0 FGADMP C[N@H+](C[C@@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285492917 498106525 /nfs/dbraw/zinc/10/65/25/498106525.db2.gz MCYYSDBRDQXTBU-FCLJQHQZSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285492917 498106540 /nfs/dbraw/zinc/10/65/40/498106540.db2.gz MCYYSDBRDQXTBU-FCLJQHQZSA-N 2 1 353.304 3.040 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342331 498113042 /nfs/dbraw/zinc/11/30/42/498113042.db2.gz XCBIKTZSPBJKNV-MOPGFXCFSA-N 2 1 359.514 3.361 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000285557890 498128226 /nfs/dbraw/zinc/12/82/26/498128226.db2.gz FQCMUCGZAREDGD-AIYVTKCESA-N 2 1 369.553 3.465 20 0 FGADMP CCOC(=O)c1csc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000292912839 498194793 /nfs/dbraw/zinc/19/47/93/498194793.db2.gz KXYXWWBXANUGEH-DOTOQJQBSA-N 2 1 373.522 3.320 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccccc4)CCC3)CC2)CC1 ZINC000581497183 506001899 /nfs/dbraw/zinc/00/18/99/506001899.db2.gz NAJVORKEDBBNMC-UHFFFAOYSA-N 2 1 369.553 3.378 20 0 FGADMP OCC1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000285924207 498241940 /nfs/dbraw/zinc/24/19/40/498241940.db2.gz CNVJNMODKIDQND-BHIFYINESA-N 2 1 372.553 3.056 20 0 FGADMP CCc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c2ccccc2[nH+]1 ZINC000301767807 498256536 /nfs/dbraw/zinc/25/65/36/498256536.db2.gz BYDRXFMJJRNAEB-FQEVSTJZSA-N 2 1 357.523 3.417 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NCc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000301834726 498286587 /nfs/dbraw/zinc/28/65/87/498286587.db2.gz VXKLKCFVYYZNDE-UHFFFAOYSA-N 2 1 350.470 3.423 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NCc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000301834726 498286593 /nfs/dbraw/zinc/28/65/93/498286593.db2.gz VXKLKCFVYYZNDE-UHFFFAOYSA-N 2 1 350.470 3.423 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OCC(F)F ZINC000289776860 498289404 /nfs/dbraw/zinc/28/94/04/498289404.db2.gz PRCJPBJUTAEYPW-CABCVRRESA-N 2 1 372.456 3.310 20 0 FGADMP COC(=O)c1csc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000286131503 498301248 /nfs/dbraw/zinc/30/12/48/498301248.db2.gz OOGNFWHIAWDQOG-ZDUSSCGKSA-N 2 1 374.510 3.261 20 0 FGADMP Cc1cc([C@H]2CCCN2C[C@@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575840399 506015153 /nfs/dbraw/zinc/01/51/53/506015153.db2.gz REJSHFPJZMSKLO-FUHWJXTLSA-N 2 1 367.331 3.350 20 0 FGADMP c1[nH+]c([C@@H]2CCCN(Cc3nncn3-c3ccccc3)C2)n2c1CCCC2 ZINC000281992893 498347906 /nfs/dbraw/zinc/34/79/06/498347906.db2.gz IICUTTQNNLXZMC-QGZVFWFLSA-N 2 1 362.481 3.180 20 0 FGADMP COCc1noc([C@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293420944 498379021 /nfs/dbraw/zinc/37/90/21/498379021.db2.gz SUTCZTGGEAUFNY-KRWDZBQOSA-N 2 1 370.497 3.265 20 0 FGADMP COCc1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293420944 498379028 /nfs/dbraw/zinc/37/90/28/498379028.db2.gz SUTCZTGGEAUFNY-KRWDZBQOSA-N 2 1 370.497 3.265 20 0 FGADMP CC(=O)Nc1nc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cs1 ZINC000282148570 498400722 /nfs/dbraw/zinc/40/07/22/498400722.db2.gz SNKVXRHYWXGLPU-AWEZNQCLSA-N 2 1 359.499 3.014 20 0 FGADMP C(CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748322 498424762 /nfs/dbraw/zinc/42/47/62/498424762.db2.gz BIIPOELOALPYDF-FNAHDJPLSA-N 2 1 364.574 3.264 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000569863273 506034285 /nfs/dbraw/zinc/03/42/85/506034285.db2.gz FDQLHECBCJXLKR-LJQANCHMSA-N 2 1 371.569 3.445 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)CC[N@@H+](C)C2CCCCC2)c(F)c1 ZINC000578845896 506035184 /nfs/dbraw/zinc/03/51/84/506035184.db2.gz MERORSLAFPQPQX-UHFFFAOYSA-N 2 1 365.493 3.359 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)C2 ZINC000290258307 498486063 /nfs/dbraw/zinc/48/60/63/498486063.db2.gz ALFZJJLPOBWACB-GOSISDBHSA-N 2 1 352.482 3.031 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431895 498509842 /nfs/dbraw/zinc/50/98/42/498509842.db2.gz HNICGMFWSFIAFT-RTBURBONSA-N 2 1 356.510 3.363 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431895 498509848 /nfs/dbraw/zinc/50/98/48/498509848.db2.gz HNICGMFWSFIAFT-RTBURBONSA-N 2 1 356.510 3.363 20 0 FGADMP c1[nH]c2nccnc2c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000294001153 498557593 /nfs/dbraw/zinc/55/75/93/498557593.db2.gz STPQBXNGGWPAQF-UHFFFAOYSA-N 2 1 361.493 3.446 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000365624280 498562537 /nfs/dbraw/zinc/56/25/37/498562537.db2.gz HAZBCLWZOOYZTB-FQEVSTJZSA-N 2 1 366.509 3.426 20 0 FGADMP CC(C)c1cc(NCC2CC[NH+](C)CC2)nc(NCC2CC[NH+](C)CC2)n1 ZINC000302817610 498585755 /nfs/dbraw/zinc/58/57/55/498585755.db2.gz ITXBKCPMKWZHMR-UHFFFAOYSA-N 2 1 374.577 3.107 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037204 506061186 /nfs/dbraw/zinc/06/11/86/506061186.db2.gz RTKSIDQTRBGNFQ-IEBWSBKVSA-N 2 1 363.933 3.282 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037204 506061188 /nfs/dbraw/zinc/06/11/88/506061188.db2.gz RTKSIDQTRBGNFQ-IEBWSBKVSA-N 2 1 363.933 3.282 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000365772031 498633412 /nfs/dbraw/zinc/63/34/12/498633412.db2.gz MOLAJABXXDDEIO-LJQANCHMSA-N 2 1 370.566 3.412 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000365772031 498633420 /nfs/dbraw/zinc/63/34/20/498633420.db2.gz MOLAJABXXDDEIO-LJQANCHMSA-N 2 1 370.566 3.412 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)[N@@H+](C)C1CC1 ZINC000303267931 498659755 /nfs/dbraw/zinc/65/97/55/498659755.db2.gz IZGHFCHAFZHGQS-GOSISDBHSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000303277907 498661138 /nfs/dbraw/zinc/66/11/38/498661138.db2.gz SXFIKRNKGYQEOF-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000303346393 498668055 /nfs/dbraw/zinc/66/80/55/498668055.db2.gz ZPWKLOVCMHUCFO-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1cccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000365911060 498695974 /nfs/dbraw/zinc/69/59/74/498695974.db2.gz CXZQGDYQCQJMAA-UHFFFAOYSA-N 2 1 357.542 3.263 20 0 FGADMP CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000572895572 506077944 /nfs/dbraw/zinc/07/79/44/506077944.db2.gz DAFGBPXUGSBTBR-LEWJYISDSA-N 2 1 371.500 3.455 20 0 FGADMP COC(=O)c1oc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1C ZINC000572920333 506083157 /nfs/dbraw/zinc/08/31/57/506083157.db2.gz XTIHGSKDTPMGSS-UHFFFAOYSA-N 2 1 357.454 3.287 20 0 FGADMP C[C@H](NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000363308280 498753544 /nfs/dbraw/zinc/75/35/44/498753544.db2.gz BJGGODRZIIZRPG-SFHVURJKSA-N 2 1 372.557 3.243 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3OC)o2)C1 ZINC000363305869 498754331 /nfs/dbraw/zinc/75/43/31/498754331.db2.gz FKYMRRYXNGJXRW-QGZVFWFLSA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3OC)o2)C1 ZINC000363305869 498754340 /nfs/dbraw/zinc/75/43/40/498754340.db2.gz FKYMRRYXNGJXRW-QGZVFWFLSA-N 2 1 373.497 3.283 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311816374 498754900 /nfs/dbraw/zinc/75/49/00/498754900.db2.gz MMQKTQQXAUCRFB-PXNSSMCTSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311816374 498754904 /nfs/dbraw/zinc/75/49/04/498754904.db2.gz MMQKTQQXAUCRFB-PXNSSMCTSA-N 2 1 352.478 3.458 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000312091291 498757069 /nfs/dbraw/zinc/75/70/69/498757069.db2.gz ZMEBPFSWWTZUSL-SFHVURJKSA-N 2 1 355.482 3.193 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000312091291 498757073 /nfs/dbraw/zinc/75/70/73/498757073.db2.gz ZMEBPFSWWTZUSL-SFHVURJKSA-N 2 1 355.482 3.193 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690821 498761588 /nfs/dbraw/zinc/76/15/88/498761588.db2.gz QJWWSXHKXVYCDD-FCHUYYIVSA-N 2 1 368.521 3.155 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000572944662 506089699 /nfs/dbraw/zinc/08/96/99/506089699.db2.gz WMSNJWWSIXQXLF-HOJAQTOUSA-N 2 1 364.578 3.190 20 0 FGADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000581937833 506094788 /nfs/dbraw/zinc/09/47/88/506094788.db2.gz VEJXNWMGMLRAOG-NZSAHSFTSA-N 2 1 371.456 3.260 20 0 FGADMP CC(C)c1nnc2n1C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000291164777 498824302 /nfs/dbraw/zinc/82/43/02/498824302.db2.gz MOFHNYCJGPVMQV-FQEVSTJZSA-N 2 1 367.541 3.013 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC000366211614 498826603 /nfs/dbraw/zinc/82/66/03/498826603.db2.gz SPZNEWPSSSYXAX-HSZRJFAPSA-N 3 1 371.569 3.468 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CC2CCC(c3ccccc3)CC2)CC1 ZINC000573018141 506099498 /nfs/dbraw/zinc/09/94/98/506099498.db2.gz AMXDGZADEHKYKM-UHFFFAOYSA-N 2 1 371.569 3.493 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291227627 498852526 /nfs/dbraw/zinc/85/25/26/498852526.db2.gz TTWWLPPRNRAJQL-LBPRGKRZSA-N 2 1 367.852 3.455 20 0 FGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000366285725 498858724 /nfs/dbraw/zinc/85/87/24/498858724.db2.gz PQESONPEDMKKRN-YZGWKJHDSA-N 2 1 370.541 3.214 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416039 498915002 /nfs/dbraw/zinc/91/50/02/498915002.db2.gz DJUOSHBIGBGPAP-RMRDIRSESA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000333162299 498919871 /nfs/dbraw/zinc/91/98/71/498919871.db2.gz GQGGVHTYCHFYMM-XCDJFROHSA-N 2 1 370.541 3.093 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000582011511 506111949 /nfs/dbraw/zinc/11/19/49/506111949.db2.gz FSWRCYFVAJGCBH-KRWDZBQOSA-N 2 1 373.541 3.069 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000363734576 498965726 /nfs/dbraw/zinc/96/57/26/498965726.db2.gz UVSMUUAUDBWRPG-BFYDXBDKSA-N 2 1 365.543 3.340 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]1c1cccs1 ZINC000363734577 498966313 /nfs/dbraw/zinc/96/63/13/498966313.db2.gz UVSMUUAUDBWRPG-HLLBOEOZSA-N 2 1 365.543 3.340 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547425 498973466 /nfs/dbraw/zinc/97/34/66/498973466.db2.gz ZVWUUXNVJOPXBH-QZTJIDSGSA-N 2 1 362.518 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547425 498973474 /nfs/dbraw/zinc/97/34/74/498973474.db2.gz ZVWUUXNVJOPXBH-QZTJIDSGSA-N 2 1 362.518 3.303 20 0 FGADMP COC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113046 506121327 /nfs/dbraw/zinc/12/13/27/506121327.db2.gz QINITECXYKOWJB-LEWJYISDSA-N 2 1 360.542 3.176 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3coc(-c4cccs4)n3)CC2)CC1 ZINC000363807616 499002777 /nfs/dbraw/zinc/00/27/77/499002777.db2.gz XNXDIFVTOOQATI-UHFFFAOYSA-N 2 1 374.554 3.253 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4nn(C)cc43)CC2)cs1 ZINC000366855383 499095226 /nfs/dbraw/zinc/09/52/26/499095226.db2.gz FGDLUDZZKDUISB-SFHVURJKSA-N 2 1 359.543 3.064 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4nn(C)cc43)CC2)cs1 ZINC000366857685 499096755 /nfs/dbraw/zinc/09/67/55/499096755.db2.gz LNXLEZOIDBTIEX-SFHVURJKSA-N 2 1 373.570 3.318 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046345 499098334 /nfs/dbraw/zinc/09/83/34/499098334.db2.gz BZKMIGMDQHFWQF-XFWGSAIBSA-N 2 1 366.933 3.027 20 0 FGADMP COc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000284463622 499111443 /nfs/dbraw/zinc/11/14/43/499111443.db2.gz TZXDTSCFPGKDDH-DOPJRALCSA-N 2 1 367.921 3.162 20 0 FGADMP CCN1CCC[C@@H](C[N@H+](C)Cc2cnoc2C2CC2)[C@@H]1c1cnn(C)c1 ZINC000372534656 499141458 /nfs/dbraw/zinc/14/14/58/499141458.db2.gz PLUUUNGOWGESKZ-QFBILLFUSA-N 2 1 357.502 3.191 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cnoc2C2CC2)[C@@H]1c1cnn(C)c1 ZINC000372534656 499141460 /nfs/dbraw/zinc/14/14/60/499141460.db2.gz PLUUUNGOWGESKZ-QFBILLFUSA-N 2 1 357.502 3.191 20 0 FGADMP Cc1ccc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)n1 ZINC000369955055 499157096 /nfs/dbraw/zinc/15/70/96/499157096.db2.gz NVDMOSLBVAOUBD-UHFFFAOYSA-N 2 1 358.574 3.327 20 0 FGADMP C[C@@H](NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000370026414 499168543 /nfs/dbraw/zinc/16/85/43/499168543.db2.gz JJBBZLIJTUIUHT-QGZVFWFLSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1F)CC2)C1CC1 ZINC000367308913 499178203 /nfs/dbraw/zinc/17/82/03/499178203.db2.gz GBYSNHHVPFAYIA-MRXNPFEDSA-N 2 1 359.489 3.351 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000367337148 499183748 /nfs/dbraw/zinc/18/37/48/499183748.db2.gz XPFHWEDEONJCJD-XMSQKQJNSA-N 2 1 370.493 3.461 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367337148 499183751 /nfs/dbraw/zinc/18/37/51/499183751.db2.gz XPFHWEDEONJCJD-XMSQKQJNSA-N 2 1 370.493 3.461 20 0 FGADMP Cc1cccc(NC2CC[NH+](Cc3cn(C)nc3-c3cccnc3)CC2)[nH+]1 ZINC000367467081 499202366 /nfs/dbraw/zinc/20/23/66/499202366.db2.gz HYJVOEFMUMEFOU-UHFFFAOYSA-N 2 1 362.481 3.262 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1F ZINC000370322066 499209340 /nfs/dbraw/zinc/20/93/40/499209340.db2.gz CJOADRSVMXLYRU-IFXJQAMLSA-N 2 1 366.440 3.067 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC34CCOCC4)CC2)oc1C ZINC000370527189 499228848 /nfs/dbraw/zinc/22/88/48/499228848.db2.gz HWIMBUVQVMUSHK-LJQANCHMSA-N 2 1 361.530 3.442 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000370577679 499232928 /nfs/dbraw/zinc/23/29/28/499232928.db2.gz LARUTKMUPZSPDV-UHFFFAOYSA-N 2 1 358.505 3.015 20 0 FGADMP O[C@H]1c2ccccc2C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000370616186 499235855 /nfs/dbraw/zinc/23/58/55/499235855.db2.gz PNXXNGYJXRJLJV-VXKWHMMOSA-N 2 1 354.469 3.081 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669908 499242382 /nfs/dbraw/zinc/24/23/82/499242382.db2.gz SMEUEGXOUSSFTP-GHTZIAJQSA-N 3 1 352.526 3.262 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669908 499242384 /nfs/dbraw/zinc/24/23/84/499242384.db2.gz SMEUEGXOUSSFTP-GHTZIAJQSA-N 3 1 352.526 3.262 20 0 FGADMP CC(C)n1c2ccccc2nc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000368051479 499259395 /nfs/dbraw/zinc/25/93/95/499259395.db2.gz MXSKQCXEIBUJFE-SFHVURJKSA-N 2 1 369.557 3.218 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368129763 499267651 /nfs/dbraw/zinc/26/76/51/499267651.db2.gz UPDXQAIGCHVOBI-MOPGFXCFSA-N 2 1 364.493 3.027 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368129763 499267652 /nfs/dbraw/zinc/26/76/52/499267652.db2.gz UPDXQAIGCHVOBI-MOPGFXCFSA-N 2 1 364.493 3.027 20 0 FGADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153848 499269716 /nfs/dbraw/zinc/26/97/16/499269716.db2.gz WHXAIMABBWWLQY-QFBILLFUSA-N 2 1 368.481 3.120 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153848 499269718 /nfs/dbraw/zinc/26/97/18/499269718.db2.gz WHXAIMABBWWLQY-QFBILLFUSA-N 2 1 368.481 3.120 20 0 FGADMP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155536 499270012 /nfs/dbraw/zinc/27/00/12/499270012.db2.gz OTDVJDBLBQJYOG-QUCCMNQESA-N 2 1 365.521 3.389 20 0 FGADMP Cc1cc(NC(=O)[C@H]2CCCc3[nH+]ccn32)ccc1OCC[NH+]1CCCC1 ZINC000368230326 499276169 /nfs/dbraw/zinc/27/61/69/499276169.db2.gz BIHKRXJTFMMAEP-GOSISDBHSA-N 2 1 368.481 3.182 20 0 FGADMP C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000371071876 499285972 /nfs/dbraw/zinc/28/59/72/499285972.db2.gz FNSGJUGIVHBSIW-ROUUACIJSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000371083167 499287050 /nfs/dbraw/zinc/28/70/50/499287050.db2.gz AFIXBBWMDFUCPL-UHFFFAOYSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H](CCC(C)(C)C)NC(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368367513 499289318 /nfs/dbraw/zinc/28/93/18/499289318.db2.gz REIYDSIOBRZJMF-FUHWJXTLSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416545 499293695 /nfs/dbraw/zinc/29/36/95/499293695.db2.gz LCVJIPYZYFALIL-XPGWFJOJSA-N 2 1 373.472 3.460 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505032 499302771 /nfs/dbraw/zinc/30/27/71/499302771.db2.gz TYIPWITXDJVLLQ-XZOQPEGZSA-N 2 1 371.569 3.228 20 0 FGADMP CN(Cc1coc(-c2cccs2)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371257371 499303190 /nfs/dbraw/zinc/30/31/90/499303190.db2.gz GNOINKFUYBNHDE-KRWDZBQOSA-N 2 1 360.527 3.003 20 0 FGADMP CN(Cc1coc(-c2cccs2)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371257371 499303192 /nfs/dbraw/zinc/30/31/92/499303192.db2.gz GNOINKFUYBNHDE-KRWDZBQOSA-N 2 1 360.527 3.003 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)CC1 ZINC000371330566 499311283 /nfs/dbraw/zinc/31/12/83/499311283.db2.gz BZWZBSGTAHKFPY-QFIPXVFZSA-N 2 1 364.537 3.349 20 0 FGADMP O=C(NC[C@@H](NCc1ccccc1)c1ccco1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368648159 499317067 /nfs/dbraw/zinc/31/70/67/499317067.db2.gz RHUMCVOCDNHSAH-MSOLQXFVSA-N 2 1 364.449 3.001 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnc(C2CC2)nc1 ZINC000371460002 499329845 /nfs/dbraw/zinc/32/98/45/499329845.db2.gz WRQSMLPFOZRALZ-LAUBAEHRSA-N 2 1 350.510 3.397 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000369150387 499371096 /nfs/dbraw/zinc/37/10/96/499371096.db2.gz LFVUHMIWZMRNMF-NRFANRHFSA-N 2 1 366.509 3.202 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573207489 506144085 /nfs/dbraw/zinc/14/40/85/506144085.db2.gz ZIHDPUCEBZMBOD-TTZDDIAXSA-N 2 1 365.905 3.043 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000573207489 506144087 /nfs/dbraw/zinc/14/40/87/506144087.db2.gz ZIHDPUCEBZMBOD-TTZDDIAXSA-N 2 1 365.905 3.043 20 0 FGADMP Cc1cnc([C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)s1 ZINC000369186441 499375718 /nfs/dbraw/zinc/37/57/18/499375718.db2.gz CUKLEANEYZXUTG-GOSISDBHSA-N 2 1 350.576 3.047 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000369484199 499407809 /nfs/dbraw/zinc/40/78/09/499407809.db2.gz LVHJRRBENZNCSI-INIZCTEOSA-N 2 1 360.527 3.003 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000369484199 499407811 /nfs/dbraw/zinc/40/78/11/499407811.db2.gz LVHJRRBENZNCSI-INIZCTEOSA-N 2 1 360.527 3.003 20 0 FGADMP CCn1c(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)nc2cc(F)ccc21 ZINC000372352933 499424010 /nfs/dbraw/zinc/42/40/10/499424010.db2.gz ASEGJHZGIJPJIY-KBAYOESNSA-N 2 1 374.504 3.174 20 0 FGADMP C[N@H+](Cc1csc(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368912 499425447 /nfs/dbraw/zinc/42/54/47/499425447.db2.gz LIOWUWXCLDIGBP-HNNXBMFYSA-N 2 1 372.376 3.111 20 0 FGADMP C[N@@H+](Cc1csc(Br)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368912 499425449 /nfs/dbraw/zinc/42/54/49/499425449.db2.gz LIOWUWXCLDIGBP-HNNXBMFYSA-N 2 1 372.376 3.111 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000372410062 499431471 /nfs/dbraw/zinc/43/14/71/499431471.db2.gz OKDMWWVSXOYRIX-ZCNNSNEGSA-N 2 1 357.542 3.043 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000369711510 499438368 /nfs/dbraw/zinc/43/83/68/499438368.db2.gz CSYNLJAEDXOSAY-FPOVZHCZSA-N 2 1 351.494 3.023 20 0 FGADMP C[C@H]1C[N@@H+](CCCSCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373527788 499475142 /nfs/dbraw/zinc/47/51/42/499475142.db2.gz FIQIYEZNUOOXBY-IBGZPJMESA-N 2 1 361.599 3.410 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214402 499496110 /nfs/dbraw/zinc/49/61/10/499496110.db2.gz GIAFAWFVYUMAHR-ADKAHSJRSA-N 2 1 361.496 3.315 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC1)CC(C)C ZINC000573231147 506149142 /nfs/dbraw/zinc/14/91/42/506149142.db2.gz UOOWDJOSPRSPMO-QUCCMNQESA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1)CC(C)C ZINC000573231147 506149146 /nfs/dbraw/zinc/14/91/46/506149146.db2.gz UOOWDJOSPRSPMO-QUCCMNQESA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379623663 499542014 /nfs/dbraw/zinc/54/20/14/499542014.db2.gz IMUKAZIZDWGVPD-WTIAFYNJSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379623663 499542016 /nfs/dbraw/zinc/54/20/16/499542016.db2.gz IMUKAZIZDWGVPD-WTIAFYNJSA-N 2 1 368.521 3.207 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000379638489 499542270 /nfs/dbraw/zinc/54/22/70/499542270.db2.gz ZZZKTLXKRRPQJZ-APWZRJJASA-N 2 1 369.509 3.263 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000379638489 499542272 /nfs/dbraw/zinc/54/22/72/499542272.db2.gz ZZZKTLXKRRPQJZ-APWZRJJASA-N 2 1 369.509 3.263 20 0 FGADMP COC(=O)c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000388981161 499551833 /nfs/dbraw/zinc/55/18/33/499551833.db2.gz QTLAEINZRDBOKS-NZSAHSFTSA-N 2 1 354.450 3.066 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000398005777 499565809 /nfs/dbraw/zinc/56/58/09/499565809.db2.gz QFCUZXPTFDEJTG-BVYCBKJFSA-N 2 1 365.521 3.493 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000375907756 499567586 /nfs/dbraw/zinc/56/75/86/499567586.db2.gz UFZMQCVLSIGWRA-SFHVURJKSA-N 2 1 355.448 3.306 20 0 FGADMP c1cc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004585 499575370 /nfs/dbraw/zinc/57/53/70/499575370.db2.gz STDIMZNFGNIJJB-QFIPXVFZSA-N 2 1 356.558 3.433 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)cs1 ZINC000376168578 499588342 /nfs/dbraw/zinc/58/83/42/499588342.db2.gz XIWBPEMZXSDWDW-GUDVDZBRSA-N 2 1 363.571 3.457 20 0 FGADMP COc1ccc2c(c1)OCCC[C@@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000377566823 499705275 /nfs/dbraw/zinc/70/52/75/499705275.db2.gz XYOGNWQHADCFAY-IBGZPJMESA-N 2 1 371.481 3.034 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377706814 499723154 /nfs/dbraw/zinc/72/31/54/499723154.db2.gz UDLVUQVBWCSTHO-MRXNPFEDSA-N 2 1 350.576 3.043 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377706814 499723155 /nfs/dbraw/zinc/72/31/55/499723155.db2.gz UDLVUQVBWCSTHO-MRXNPFEDSA-N 2 1 350.576 3.043 20 0 FGADMP C([C@H]1CCCCO1)[NH+]1CCCC2(CCC[N@H+](C[C@H]3CCCCO3)C2)C1 ZINC000377724768 499725362 /nfs/dbraw/zinc/72/53/62/499725362.db2.gz MWBOZUDCESZMAU-OSBQEZSISA-N 2 1 350.547 3.303 20 0 FGADMP COC(=O)C[C@@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411341737 499727691 /nfs/dbraw/zinc/72/76/91/499727691.db2.gz DCYKPLTYTIRMNF-LJQANCHMSA-N 2 1 362.539 3.153 20 0 FGADMP CN1CCO[C@H]([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199367 499768187 /nfs/dbraw/zinc/76/81/87/499768187.db2.gz WUPXERYPSHHHDV-LSTHTHJFSA-N 2 1 365.949 3.033 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000414263417 499772509 /nfs/dbraw/zinc/77/25/09/499772509.db2.gz JLQRUKUIUBDZNJ-SXSPYAJSSA-N 2 1 368.521 3.367 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)c1cccc(CO)c1 ZINC000414263417 499772511 /nfs/dbraw/zinc/77/25/11/499772511.db2.gz JLQRUKUIUBDZNJ-SXSPYAJSSA-N 2 1 368.521 3.367 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(COC)CC1 ZINC000414266983 499773159 /nfs/dbraw/zinc/77/31/59/499773159.db2.gz MRQQYZJSPCKAAU-JYAXOCDNSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(COC)CC1 ZINC000414266983 499773161 /nfs/dbraw/zinc/77/31/61/499773161.db2.gz MRQQYZJSPCKAAU-JYAXOCDNSA-N 2 1 360.542 3.318 20 0 FGADMP CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411687979 499777922 /nfs/dbraw/zinc/77/79/22/499777922.db2.gz HGHWOYJNJSTOMB-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411687979 499777924 /nfs/dbraw/zinc/77/79/24/499777924.db2.gz HGHWOYJNJSTOMB-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cnc2ccc(C)cc2c1 ZINC000411739041 499785008 /nfs/dbraw/zinc/78/50/08/499785008.db2.gz VMSFRHPPSUCOAB-UHFFFAOYSA-N 2 1 354.542 3.393 20 0 FGADMP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000576443107 506159690 /nfs/dbraw/zinc/15/96/90/506159690.db2.gz IHNHXFOVQLQIHI-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C3(CCC3)C2)CC1 ZINC000411990103 499810250 /nfs/dbraw/zinc/81/02/50/499810250.db2.gz SEBUGPSOTIMEEV-NRFANRHFSA-N 2 1 369.553 3.245 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000412014823 499813293 /nfs/dbraw/zinc/81/32/93/499813293.db2.gz RBMSLBPWJTTYDF-FGZHOGPDSA-N 2 1 369.553 3.388 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000414666630 499818688 /nfs/dbraw/zinc/81/86/88/499818688.db2.gz GLPFTXZZDODVHG-YSIASYRMSA-N 2 1 352.526 3.398 20 0 FGADMP Cc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)sc1Br ZINC000414775239 499829777 /nfs/dbraw/zinc/82/97/77/499829777.db2.gz GICSUWJNTYZCEF-LBPRGKRZSA-N 2 1 359.333 3.006 20 0 FGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)sc1Br ZINC000414775239 499829778 /nfs/dbraw/zinc/82/97/78/499829778.db2.gz GICSUWJNTYZCEF-LBPRGKRZSA-N 2 1 359.333 3.006 20 0 FGADMP COc1sc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784993 499831028 /nfs/dbraw/zinc/83/10/28/499831028.db2.gz RYBAXZSVZVZCJX-NWDGAFQWSA-N 2 1 359.333 3.341 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](CN)C4CC4)cc3)nc12 ZINC000414794135 499831977 /nfs/dbraw/zinc/83/19/77/499831977.db2.gz FGSDFPHEVFGQRK-HXUWFJFHSA-N 2 1 350.466 3.049 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+][C@H](C[NH3+])C4CC4)cc3)nc12 ZINC000414794135 499831978 /nfs/dbraw/zinc/83/19/78/499831978.db2.gz FGSDFPHEVFGQRK-HXUWFJFHSA-N 2 1 350.466 3.049 20 0 FGADMP COc1c(Br)cc(Br)cc1C[NH2+][C@H](C)CC[NH3+] ZINC000414877187 499840325 /nfs/dbraw/zinc/84/03/25/499840325.db2.gz FQZWRDHYESKWLY-MRVPVSSYSA-N 2 1 366.097 3.047 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414939829 499846631 /nfs/dbraw/zinc/84/66/31/499846631.db2.gz JWGLVYUUPUYJEB-QFBILLFUSA-N 2 1 370.493 3.370 20 0 FGADMP Cc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1OC(F)F ZINC000414955636 499848737 /nfs/dbraw/zinc/84/87/37/499848737.db2.gz MISAXJZTUPSSFG-GXFFZTMASA-N 2 1 363.246 3.447 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000414963211 499849284 /nfs/dbraw/zinc/84/92/84/499849284.db2.gz CVHVCELDOOQGSI-KRWDZBQOSA-N 2 1 366.431 3.428 20 0 FGADMP Cc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1Br ZINC000415048205 499857892 /nfs/dbraw/zinc/85/78/92/499857892.db2.gz FWDJUUHMLBSLDN-UHFFFAOYSA-N 2 1 366.347 3.064 20 0 FGADMP [NH3+][C@@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000415065431 499860269 /nfs/dbraw/zinc/86/02/69/499860269.db2.gz GHMDWFWFAKOXQA-SFHVURJKSA-N 2 1 370.522 3.057 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000415130758 499867924 /nfs/dbraw/zinc/86/79/24/499867924.db2.gz XOJHPRUQEAKZSU-WMLDXEAASA-N 2 1 371.294 3.307 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)c2)cc1 ZINC000415134165 499868928 /nfs/dbraw/zinc/86/89/28/499868928.db2.gz VRSASPOWHTVGED-APWZRJJASA-N 2 1 367.493 3.364 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000573294689 506163879 /nfs/dbraw/zinc/16/38/79/506163879.db2.gz LWDCWTFBDFUEEQ-IBGZPJMESA-N 2 1 362.876 3.378 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccc2c(c1)nc(CC)n2C1CC1 ZINC000582229073 506164630 /nfs/dbraw/zinc/16/46/30/506164630.db2.gz CPWNFYVCEUAQBY-UHFFFAOYSA-N 2 1 371.529 3.465 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000415879051 499923843 /nfs/dbraw/zinc/92/38/43/499923843.db2.gz ABIPYDYWRCIUBX-UHFFFAOYSA-N 2 1 364.493 3.072 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1Cl ZINC000415882931 499924052 /nfs/dbraw/zinc/92/40/52/499924052.db2.gz MMQYCPCHEJQZAV-IBGZPJMESA-N 2 1 372.900 3.410 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000415902701 499926220 /nfs/dbraw/zinc/92/62/20/499926220.db2.gz DCOJGUYUPMAVGV-QGZVFWFLSA-N 2 1 366.509 3.364 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000415910886 499927318 /nfs/dbraw/zinc/92/73/18/499927318.db2.gz CKVSLFMZNBGXCB-VQTJNVASSA-N 2 1 352.482 3.363 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415920705 499928874 /nfs/dbraw/zinc/92/88/74/499928874.db2.gz PBWMYBPLJFEFNN-HXUWFJFHSA-N 2 1 366.509 3.440 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415920704 499928894 /nfs/dbraw/zinc/92/88/94/499928894.db2.gz PBWMYBPLJFEFNN-FQEVSTJZSA-N 2 1 366.509 3.440 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC([N@@H+](C)Cc2ccccc2)C1 ZINC000415930412 499929752 /nfs/dbraw/zinc/92/97/52/499929752.db2.gz JWQIMSJEJCVGKB-UHFFFAOYSA-N 2 1 352.482 3.144 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000415960246 499933676 /nfs/dbraw/zinc/93/36/76/499933676.db2.gz UTPAIGSFENTZAI-KRWDZBQOSA-N 2 1 354.498 3.438 20 0 FGADMP C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415961629 499933998 /nfs/dbraw/zinc/93/39/98/499933998.db2.gz RURQPQGCROSXRL-QFBILLFUSA-N 2 1 352.482 3.177 20 0 FGADMP CN(C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000415969955 499935231 /nfs/dbraw/zinc/93/52/31/499935231.db2.gz KTXNSVQHFNSNLO-XYPWUTKMSA-N 2 1 370.419 3.253 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)cc1 ZINC000415988129 499938094 /nfs/dbraw/zinc/93/80/94/499938094.db2.gz ZWESLBMOBOWAHA-UHFFFAOYSA-N 2 1 353.470 3.031 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416128127 499952073 /nfs/dbraw/zinc/95/20/73/499952073.db2.gz UJOHGGIKDYCXRE-INIZCTEOSA-N 2 1 358.511 3.153 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)C[C@@H](c3ccccc3)[NH+](C)C)sc2C1 ZINC000416128127 499952076 /nfs/dbraw/zinc/95/20/76/499952076.db2.gz UJOHGGIKDYCXRE-INIZCTEOSA-N 2 1 358.511 3.153 20 0 FGADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417220407 500009240 /nfs/dbraw/zinc/00/92/40/500009240.db2.gz NYFGDAKAXXWJPW-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccc(C)c(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000429287349 500043302 /nfs/dbraw/zinc/04/33/02/500043302.db2.gz TVBKSNSXGXPITG-NRFANRHFSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1ccc(C)c(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000429287349 500043304 /nfs/dbraw/zinc/04/33/04/500043304.db2.gz TVBKSNSXGXPITG-NRFANRHFSA-N 2 1 353.510 3.154 20 0 FGADMP CSC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046774 /nfs/dbraw/zinc/04/67/74/500046774.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 2 1 372.644 3.153 20 0 FGADMP CSC[C@@H]1CCC[N@@H+](CC2(C[NH+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046777 /nfs/dbraw/zinc/04/67/77/500046777.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 2 1 372.644 3.153 20 0 FGADMP CSC[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297022 500046781 /nfs/dbraw/zinc/04/67/81/500046781.db2.gz CLCABYMIRSDZIA-HDICACEKSA-N 2 1 372.644 3.153 20 0 FGADMP COCC[N@@H+](C)C[C@H](O)CN1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000570461643 506172640 /nfs/dbraw/zinc/17/26/40/506172640.db2.gz SPDZDQNSXKYOGA-INIZCTEOSA-N 2 1 373.324 3.022 20 0 FGADMP COCCN(C)C[C@H](O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000570461643 506172644 /nfs/dbraw/zinc/17/26/44/506172644.db2.gz SPDZDQNSXKYOGA-INIZCTEOSA-N 2 1 373.324 3.022 20 0 FGADMP COCCN(C)C[C@H](O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1 ZINC000570461643 506172648 /nfs/dbraw/zinc/17/26/48/506172648.db2.gz SPDZDQNSXKYOGA-INIZCTEOSA-N 2 1 373.324 3.022 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417375292 500052710 /nfs/dbraw/zinc/05/27/10/500052710.db2.gz BVCZPQIOSGCIFD-ICSRJNTNSA-N 2 1 360.542 3.197 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000417375292 500052712 /nfs/dbraw/zinc/05/27/12/500052712.db2.gz BVCZPQIOSGCIFD-ICSRJNTNSA-N 2 1 360.542 3.197 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C[NH3+])CCCC2)c1 ZINC000429397085 500069309 /nfs/dbraw/zinc/06/93/09/500069309.db2.gz IALOCDQZGOHPDL-UHFFFAOYSA-N 2 1 351.494 3.320 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000425445777 500108351 /nfs/dbraw/zinc/10/83/51/500108351.db2.gz NKIRJJURZDKTIV-VABKMULXSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000425445777 500108353 /nfs/dbraw/zinc/10/83/53/500108353.db2.gz NKIRJJURZDKTIV-VABKMULXSA-N 2 1 350.506 3.044 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000429725072 500132231 /nfs/dbraw/zinc/13/22/31/500132231.db2.gz RJTCHLPOKSYEGS-QGZVFWFLSA-N 2 1 370.324 3.294 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000429725072 500132236 /nfs/dbraw/zinc/13/22/36/500132236.db2.gz RJTCHLPOKSYEGS-QGZVFWFLSA-N 2 1 370.324 3.294 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675164 500145976 /nfs/dbraw/zinc/14/59/76/500145976.db2.gz BHCQVJGYOVLRNP-XLIONFOSSA-N 2 1 374.573 3.276 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(Nc4ccccc4)n3)CC2)C1 ZINC000579454596 506178905 /nfs/dbraw/zinc/17/89/05/506178905.db2.gz OBQYJBDLIZPWCS-LPHOPBHVSA-N 2 1 372.538 3.027 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417734324 500159254 /nfs/dbraw/zinc/15/92/54/500159254.db2.gz KAXQTWPTNVHKNX-JFIYKMOQSA-N 2 1 366.575 3.146 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C2CC2)c(F)c1 ZINC000421854493 500164340 /nfs/dbraw/zinc/16/43/40/500164340.db2.gz LOSQHEDDUKRZOJ-QRWLVFNGSA-N 2 1 350.478 3.376 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C2CC2)c(F)c1 ZINC000421854493 500164342 /nfs/dbraw/zinc/16/43/42/500164342.db2.gz LOSQHEDDUKRZOJ-QRWLVFNGSA-N 2 1 350.478 3.376 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416966745 500168854 /nfs/dbraw/zinc/16/88/54/500168854.db2.gz GAIJTGULSHUZNJ-GHTZIAJQSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000416969332 500169317 /nfs/dbraw/zinc/16/93/17/500169317.db2.gz BNBGITNFXWSPIG-MSOLQXFVSA-N 2 1 360.546 3.378 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000416969805 500170318 /nfs/dbraw/zinc/17/03/18/500170318.db2.gz COOFFKZYSDHBLW-UIFIKXQLSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416979990 500173775 /nfs/dbraw/zinc/17/37/75/500173775.db2.gz ASROWCJEQBTTFY-KSZLIROESA-N 2 1 360.546 3.091 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826280 500179783 /nfs/dbraw/zinc/17/97/83/500179783.db2.gz BZMFAKQSQGUABI-JRGCBEDISA-N 2 1 366.509 3.039 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417843039 500182767 /nfs/dbraw/zinc/18/27/67/500182767.db2.gz QDEREZIVFKRAMQ-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000417934954 500200639 /nfs/dbraw/zinc/20/06/39/500200639.db2.gz PLXOSMNWVJEJQN-SQNIBIBYSA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000417934954 500200642 /nfs/dbraw/zinc/20/06/42/500200642.db2.gz PLXOSMNWVJEJQN-SQNIBIBYSA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH+]([C@@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154789 500201008 /nfs/dbraw/zinc/20/10/08/500201008.db2.gz YCRPIHRRUVUOQY-JFIYKMOQSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@@H+]([C@@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154789 500201012 /nfs/dbraw/zinc/20/10/12/500201012.db2.gz YCRPIHRRUVUOQY-JFIYKMOQSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC[N@H+]([C@@H]4C[C@H]4C)C[C@H](C)C3)sc2C1 ZINC000430154789 500201016 /nfs/dbraw/zinc/20/10/16/500201016.db2.gz YCRPIHRRUVUOQY-JFIYKMOQSA-N 2 1 362.587 3.072 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217859 500210708 /nfs/dbraw/zinc/21/07/08/500210708.db2.gz LOHNUQXCLWBBBE-OAQYLSRUSA-N 2 1 360.546 3.023 20 0 FGADMP CN(CCOc1ccccc1Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425938577 500214492 /nfs/dbraw/zinc/21/44/92/500214492.db2.gz AJAJFMZVCMRWPV-NRFANRHFSA-N 2 1 374.912 3.288 20 0 FGADMP C[N@H+](CCOc1ccccc1Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425938577 500214494 /nfs/dbraw/zinc/21/44/94/500214494.db2.gz AJAJFMZVCMRWPV-NRFANRHFSA-N 2 1 374.912 3.288 20 0 FGADMP C[N@@H+](CCOc1ccccc1Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425938577 500214497 /nfs/dbraw/zinc/21/44/97/500214497.db2.gz AJAJFMZVCMRWPV-NRFANRHFSA-N 2 1 374.912 3.288 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418024165 500215665 /nfs/dbraw/zinc/21/56/65/500215665.db2.gz DBAIYYOWLBFPTG-LJQANCHMSA-N 2 1 351.494 3.000 20 0 FGADMP C[N@@H+](CCCCOc1ccccc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982143 500220807 /nfs/dbraw/zinc/22/08/07/500220807.db2.gz VCWSOYBELVUPFU-QHCPKHFHSA-N 2 1 368.521 3.414 20 0 FGADMP C[N@H+](CCCCOc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982143 500220809 /nfs/dbraw/zinc/22/08/09/500220809.db2.gz VCWSOYBELVUPFU-QHCPKHFHSA-N 2 1 368.521 3.414 20 0 FGADMP C[N@@H+](CCCCOc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982143 500220812 /nfs/dbraw/zinc/22/08/12/500220812.db2.gz VCWSOYBELVUPFU-QHCPKHFHSA-N 2 1 368.521 3.414 20 0 FGADMP C[NH+](CCCCOc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425982143 500220815 /nfs/dbraw/zinc/22/08/15/500220815.db2.gz VCWSOYBELVUPFU-QHCPKHFHSA-N 2 1 368.521 3.414 20 0 FGADMP C[NH+](CCCCOc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425982143 500220818 /nfs/dbraw/zinc/22/08/18/500220818.db2.gz VCWSOYBELVUPFU-QHCPKHFHSA-N 2 1 368.521 3.414 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422178338 500227786 /nfs/dbraw/zinc/22/77/86/500227786.db2.gz CWDJBNBIDMMORC-VNCLNFNDSA-N 2 1 369.513 3.414 20 0 FGADMP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418099643 500229511 /nfs/dbraw/zinc/22/95/11/500229511.db2.gz CGPWBSUJIZTHLH-HXUWFJFHSA-N 2 1 372.557 3.120 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418150818 500237740 /nfs/dbraw/zinc/23/77/40/500237740.db2.gz DKDSQTBDGMDLHR-UXHICEINSA-N 2 1 372.557 3.104 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418154264 500238202 /nfs/dbraw/zinc/23/82/02/500238202.db2.gz JMVSLZZKZNFCOJ-PMACEKPBSA-N 2 1 372.557 3.119 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418154268 500238941 /nfs/dbraw/zinc/23/89/41/500238941.db2.gz JMVSLZZKZNFCOJ-WOJBJXKFSA-N 2 1 372.557 3.119 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426135828 500239746 /nfs/dbraw/zinc/23/97/46/500239746.db2.gz IUVZNWULCNVKJI-OAQYLSRUSA-N 2 1 355.526 3.306 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183872 500244447 /nfs/dbraw/zinc/24/44/47/500244447.db2.gz OXZMRGMEKNJXEG-PBHICJAKSA-N 2 1 354.926 3.150 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418188964 500245800 /nfs/dbraw/zinc/24/58/00/500245800.db2.gz VBUWOQJKUCQJAX-JCGIZDLHSA-N 2 1 366.937 3.163 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000418192323 500246687 /nfs/dbraw/zinc/24/66/87/500246687.db2.gz YKJIOCBNUKERQJ-ZTFGCOKTSA-N 2 1 366.937 3.020 20 0 FGADMP CCCn1ccnc1CCCN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000430501734 500247496 /nfs/dbraw/zinc/24/74/96/500247496.db2.gz TVZPRDIEPHFWMS-FQEVSTJZSA-N 2 1 356.514 3.377 20 0 FGADMP CCCn1ccnc1CCCN(C)C(=O)[C@H](c1ccccc1)N(C)CC ZINC000430501734 500247499 /nfs/dbraw/zinc/24/74/99/500247499.db2.gz TVZPRDIEPHFWMS-FQEVSTJZSA-N 2 1 356.514 3.377 20 0 FGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)N[C@H]1CCCc2ccccc21 ZINC000430556575 500253768 /nfs/dbraw/zinc/25/37/68/500253768.db2.gz VBDGOKLBKAMWTC-NRFANRHFSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595673 500260394 /nfs/dbraw/zinc/26/03/94/500260394.db2.gz YFWNKLCDGMGQDP-JJDSTIRJSA-N 2 1 357.542 3.190 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595673 500260397 /nfs/dbraw/zinc/26/03/97/500260397.db2.gz YFWNKLCDGMGQDP-JJDSTIRJSA-N 2 1 357.542 3.190 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430595469 500260431 /nfs/dbraw/zinc/26/04/31/500260431.db2.gz MFPKIHKHZOVDRS-WAOWUJCRSA-N 2 1 365.521 3.340 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430595469 500260432 /nfs/dbraw/zinc/26/04/32/500260432.db2.gz MFPKIHKHZOVDRS-WAOWUJCRSA-N 2 1 365.521 3.340 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317792 500261407 /nfs/dbraw/zinc/26/14/07/500261407.db2.gz BCXFPYDJLBEMDZ-RXVVDRJESA-N 2 1 372.557 3.183 20 0 FGADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(C[NH3+])CC1 ZINC000430629733 500263425 /nfs/dbraw/zinc/26/34/25/500263425.db2.gz QTCHQFSISMGBJD-NEPJUHHUSA-N 2 1 360.527 3.253 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430642440 500265318 /nfs/dbraw/zinc/26/53/18/500265318.db2.gz KMFWWESXPSJEPK-OXQOHEQNSA-N 2 1 357.523 3.015 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348044 500266421 /nfs/dbraw/zinc/26/64/21/500266421.db2.gz QYDAMKDHVANDLZ-QUCCMNQESA-N 2 1 366.594 3.164 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)s1 ZINC000430715118 500273972 /nfs/dbraw/zinc/27/39/72/500273972.db2.gz OBBFILQBORUPCF-SFHVURJKSA-N 2 1 365.587 3.254 20 0 FGADMP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418430060 500275314 /nfs/dbraw/zinc/27/53/14/500275314.db2.gz UFTPFEJZZTZGQQ-MJGOQNOKSA-N 2 1 352.567 3.046 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC([NH3+])(CC)CC)CC1)CC(C)C ZINC000418428957 500275446 /nfs/dbraw/zinc/27/54/46/500275446.db2.gz RHXNOAYYRULOOI-UHFFFAOYSA-N 2 1 354.583 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418461325 500279604 /nfs/dbraw/zinc/27/96/04/500279604.db2.gz LPVCCFAXVJWLSJ-GOSISDBHSA-N 2 1 366.509 3.042 20 0 FGADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)NC(c1ccccc1)c1ccccc1 ZINC000422625640 500282870 /nfs/dbraw/zinc/28/28/70/500282870.db2.gz CDLZSKFTEDAUJY-UHFFFAOYSA-N 2 1 363.505 3.110 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422641703 500285473 /nfs/dbraw/zinc/28/54/73/500285473.db2.gz YJGROVDEOUUXSG-REHHDOPLSA-N 2 1 373.541 3.054 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422641703 500285475 /nfs/dbraw/zinc/28/54/75/500285475.db2.gz YJGROVDEOUUXSG-REHHDOPLSA-N 2 1 373.541 3.054 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000418530072 500287934 /nfs/dbraw/zinc/28/79/34/500287934.db2.gz VHLHCNUNOPEAGK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422719439 500289130 /nfs/dbraw/zinc/28/91/30/500289130.db2.gz REIXVWBOQQNNIQ-PMOQBDJRSA-N 2 1 351.538 3.099 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418601950 500295423 /nfs/dbraw/zinc/29/54/23/500295423.db2.gz ABWIIJSGPRRSLJ-CTNGQTDRSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418602958 500296116 /nfs/dbraw/zinc/29/61/16/500296116.db2.gz WFLFQBOSQSKOOQ-JRGCBEDISA-N 2 1 372.557 3.198 20 0 FGADMP C[N@@H+](CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785220 500297311 /nfs/dbraw/zinc/29/73/11/500297311.db2.gz MZCFAINCDNTZCV-GMAHTHKFSA-N 2 1 365.521 3.354 20 0 FGADMP C[N@H+](CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785220 500297315 /nfs/dbraw/zinc/29/73/15/500297315.db2.gz MZCFAINCDNTZCV-GMAHTHKFSA-N 3 1 365.521 3.354 20 0 FGADMP C[N@@H+](CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785220 500297317 /nfs/dbraw/zinc/29/73/17/500297317.db2.gz MZCFAINCDNTZCV-GMAHTHKFSA-N 3 1 365.521 3.354 20 0 FGADMP CN(CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785220 500297320 /nfs/dbraw/zinc/29/73/20/500297320.db2.gz MZCFAINCDNTZCV-GMAHTHKFSA-N 2 1 365.521 3.354 20 0 FGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802661 500299617 /nfs/dbraw/zinc/29/96/17/500299617.db2.gz HTNKYUIAFHQWSD-XPWALMASSA-N 2 1 371.569 3.165 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422799674 500299986 /nfs/dbraw/zinc/29/99/86/500299986.db2.gz XZMBUBZDLFOEPL-GUXCAODWSA-N 2 1 360.523 3.203 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422834541 500303614 /nfs/dbraw/zinc/30/36/14/500303614.db2.gz ZTGAOUHPMLCYDW-JKSUJKDBSA-N 2 1 359.857 3.412 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855416 500306206 /nfs/dbraw/zinc/30/62/06/500306206.db2.gz DUCUYGADZJMHNB-TWHAJKEOSA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855416 500306209 /nfs/dbraw/zinc/30/62/09/500306209.db2.gz DUCUYGADZJMHNB-TWHAJKEOSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855416 500306212 /nfs/dbraw/zinc/30/62/12/500306212.db2.gz DUCUYGADZJMHNB-TWHAJKEOSA-N 2 1 371.569 3.165 20 0 FGADMP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418681749 500307154 /nfs/dbraw/zinc/30/71/54/500307154.db2.gz ZCAUIYZNKITSME-GGPKGHCWSA-N 2 1 360.546 3.371 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000430927327 500308680 /nfs/dbraw/zinc/30/86/80/500308680.db2.gz IFXXOJFIFSCFEQ-MRXNPFEDSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908701 500314298 /nfs/dbraw/zinc/31/42/98/500314298.db2.gz ZAOIXOMJJREDEG-CVDCTZTESA-N 2 1 351.538 3.447 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](C[NH3+])C2)cc1 ZINC000430965275 500314385 /nfs/dbraw/zinc/31/43/85/500314385.db2.gz IMHIMWLUGWYVTJ-KRWDZBQOSA-N 2 1 362.477 3.329 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCCCCC[C@H]3[NH3+])cc2)CC1 ZINC000431004411 500320957 /nfs/dbraw/zinc/32/09/57/500320957.db2.gz QZUYTNAIVUSWOM-LEWJYISDSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431015644 500323803 /nfs/dbraw/zinc/32/38/03/500323803.db2.gz WGXUIMNOGIWQOO-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422972707 500325629 /nfs/dbraw/zinc/32/56/29/500325629.db2.gz AJKKUPAEGNNXNE-FYQPLNBISA-N 2 1 360.448 3.307 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccn1 ZINC000422982099 500326364 /nfs/dbraw/zinc/32/63/64/500326364.db2.gz VNIKBVKCRIKMHA-MTFMMBMASA-N 2 1 361.530 3.142 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991497 500328205 /nfs/dbraw/zinc/32/82/05/500328205.db2.gz BHHSZXCMQWEOLL-SYYKKAFVSA-N 2 1 357.542 3.342 20 0 FGADMP CC(C)CN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422991497 500328207 /nfs/dbraw/zinc/32/82/07/500328207.db2.gz BHHSZXCMQWEOLL-SYYKKAFVSA-N 2 1 357.542 3.342 20 0 FGADMP CCC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000431074834 500331940 /nfs/dbraw/zinc/33/19/40/500331940.db2.gz YMIXOPQRWNODCK-MRXNPFEDSA-N 2 1 357.498 3.416 20 0 FGADMP CCC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)C1CC[NH2+]CC1 ZINC000431074834 500331942 /nfs/dbraw/zinc/33/19/42/500331942.db2.gz YMIXOPQRWNODCK-MRXNPFEDSA-N 2 1 357.498 3.416 20 0 FGADMP CCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431094226 500335129 /nfs/dbraw/zinc/33/51/29/500335129.db2.gz AIBTWAQPZHKYNJ-HNNXBMFYSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431094226 500335131 /nfs/dbraw/zinc/33/51/31/500335131.db2.gz AIBTWAQPZHKYNJ-HNNXBMFYSA-N 2 1 351.922 3.323 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC3 ZINC000423049069 500335612 /nfs/dbraw/zinc/33/56/12/500335612.db2.gz XJHJBTSYYCGIRM-WBTYWQJWSA-N 2 1 353.510 3.080 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423104857 500342995 /nfs/dbraw/zinc/34/29/95/500342995.db2.gz QHRPHDXBZHENRJ-NSHDSACASA-N 2 1 354.376 3.036 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000423144553 500347728 /nfs/dbraw/zinc/34/77/28/500347728.db2.gz HMLODBXBVJOBGP-MSOLQXFVSA-N 2 1 364.898 3.238 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423161353 500349739 /nfs/dbraw/zinc/34/97/39/500349739.db2.gz NMZQNLIKPHFGQQ-JQHSSLGASA-N 2 1 369.347 3.029 20 0 FGADMP C[NH2+]CCC[NH2+][C@@H](C)c1sc(Cc2ccc(OC)c(OC)c2)nc1C ZINC000423199632 500354781 /nfs/dbraw/zinc/35/47/81/500354781.db2.gz KEIOJMKYBVNFEQ-ZDUSSCGKSA-N 2 1 363.527 3.320 20 0 FGADMP Brc1cccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423236889 500357409 /nfs/dbraw/zinc/35/74/09/500357409.db2.gz OZSOLMDVOOLYLV-IRXDYDNUSA-N 2 1 353.304 3.258 20 0 FGADMP CC(C)(C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000423297892 500362238 /nfs/dbraw/zinc/36/22/38/500362238.db2.gz MHYHVLNUXKQGHC-HXUWFJFHSA-N 2 1 351.494 3.057 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000423324761 500364942 /nfs/dbraw/zinc/36/49/42/500364942.db2.gz IGQOCOBBNUPSPR-DIFIXFHHSA-N 2 1 374.525 3.098 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423353492 500366655 /nfs/dbraw/zinc/36/66/55/500366655.db2.gz DJYNPNLSYRGWAL-OALUTQOASA-N 2 1 357.542 3.175 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000423382215 500369048 /nfs/dbraw/zinc/36/90/48/500369048.db2.gz ODGHZPZFZBQBGA-KRWDZBQOSA-N 2 1 351.494 3.443 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000423387642 500369826 /nfs/dbraw/zinc/36/98/26/500369826.db2.gz SSKABVRWLWIXHG-LLGFUMIMSA-N 2 1 351.494 3.489 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427274794 500377032 /nfs/dbraw/zinc/37/70/32/500377032.db2.gz NROGTGJLDUIEBF-RTBURBONSA-N 2 1 357.542 3.457 20 0 FGADMP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000427288521 500377972 /nfs/dbraw/zinc/37/79/72/500377972.db2.gz PVKSPORJSFDMQV-SFHLNBCPSA-N 2 1 357.542 3.450 20 0 FGADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423494452 500379399 /nfs/dbraw/zinc/37/93/99/500379399.db2.gz SBQGUCDFFXYMCA-WBVHZDCISA-N 2 1 353.304 3.185 20 0 FGADMP CC1(C)[C@H](Oc2ccccc2)C[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510316 500380518 /nfs/dbraw/zinc/38/05/18/500380518.db2.gz NLFOMOSLNOBHES-RRIIRSAJSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000423507962 500380702 /nfs/dbraw/zinc/38/07/02/500380702.db2.gz KGDXGDOMDDTBNK-RWBZWWBESA-N 2 1 366.347 3.316 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000423749098 500399012 /nfs/dbraw/zinc/39/90/12/500399012.db2.gz SFBFGIKAQDIXDP-OAQYLSRUSA-N 2 1 365.521 3.437 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)CC2)c1 ZINC000431623532 500400180 /nfs/dbraw/zinc/40/01/80/500400180.db2.gz IOODLCHSHCLXTB-QFIPXVFZSA-N 2 1 365.521 3.332 20 0 FGADMP CC[C@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423826030 500406429 /nfs/dbraw/zinc/40/64/29/500406429.db2.gz OBIUGWOBPQVWRP-LEWJYISDSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423862237 500413557 /nfs/dbraw/zinc/41/35/57/500413557.db2.gz FUDPBXUTJJCGJZ-OYNPSCLESA-N 2 1 357.542 3.311 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779982 500423860 /nfs/dbraw/zinc/42/38/60/500423860.db2.gz WBRLTKGGCGIANK-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431779982 500423862 /nfs/dbraw/zinc/42/38/62/500423862.db2.gz WBRLTKGGCGIANK-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431779982 500423866 /nfs/dbraw/zinc/42/38/66/500423866.db2.gz WBRLTKGGCGIANK-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431852271 500434683 /nfs/dbraw/zinc/43/46/83/500434683.db2.gz VVDSOTOBIUUVCC-NRSPTQNISA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852271 500434685 /nfs/dbraw/zinc/43/46/85/500434685.db2.gz VVDSOTOBIUUVCC-NRSPTQNISA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852271 500434687 /nfs/dbraw/zinc/43/46/87/500434687.db2.gz VVDSOTOBIUUVCC-NRSPTQNISA-N 2 1 357.542 3.420 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317021 500439925 /nfs/dbraw/zinc/43/99/25/500439925.db2.gz UHBFRXMNPKBCLC-LRDDRELGSA-N 2 1 356.297 3.160 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317021 500439929 /nfs/dbraw/zinc/43/99/29/500439929.db2.gz UHBFRXMNPKBCLC-LRDDRELGSA-N 2 1 356.297 3.160 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317652 500440920 /nfs/dbraw/zinc/44/09/20/500440920.db2.gz NPBXXBIWCZDQCS-APWZRJJASA-N 2 1 365.481 3.011 20 0 FGADMP C[N@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000420321901 500441081 /nfs/dbraw/zinc/44/10/81/500441081.db2.gz VZFIKAHCLDKURI-FXAWDEMLSA-N 2 1 357.523 3.013 20 0 FGADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H](C[NH3+])C1CC1 ZINC000420321901 500441084 /nfs/dbraw/zinc/44/10/84/500441084.db2.gz VZFIKAHCLDKURI-FXAWDEMLSA-N 2 1 357.523 3.013 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324176 500441820 /nfs/dbraw/zinc/44/18/20/500441820.db2.gz GWVLTTJEYZNXKJ-LEWJYISDSA-N 2 1 355.526 3.134 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000431926187 500444187 /nfs/dbraw/zinc/44/41/87/500444187.db2.gz VJIUXNURPYEVIT-NHCUHLMSSA-N 2 1 359.558 3.320 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cccs1 ZINC000420337495 500444204 /nfs/dbraw/zinc/44/42/04/500444204.db2.gz NOWKUNCHTJYXCR-VQIMIIECSA-N 2 1 363.571 3.416 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000420393738 500454791 /nfs/dbraw/zinc/45/47/91/500454791.db2.gz QWYHLBKVTIOSLM-AEFFLSMTSA-N 2 1 351.560 3.450 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000428029598 500459673 /nfs/dbraw/zinc/45/96/73/500459673.db2.gz DYBXMCBUBKNJDH-LVCYWYKZSA-N 2 1 369.534 3.028 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000428029598 500459676 /nfs/dbraw/zinc/45/96/76/500459676.db2.gz DYBXMCBUBKNJDH-LVCYWYKZSA-N 2 1 369.534 3.028 20 0 FGADMP CC(C)C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285630 500480961 /nfs/dbraw/zinc/48/09/61/500480961.db2.gz GCSLYFNKESSYBX-UYAOXDASSA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424285615 500480991 /nfs/dbraw/zinc/48/09/91/500480991.db2.gz GCSLYFNKESSYBX-AZUAARDMSA-N 2 1 357.542 3.354 20 0 FGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284220 500481078 /nfs/dbraw/zinc/48/10/78/500481078.db2.gz DCWQSOAKKUMYRV-MOPGFXCFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285182 500481268 /nfs/dbraw/zinc/48/12/68/500481268.db2.gz FLWDPFWLQIBFJT-AWEZNQCLSA-N 2 1 369.431 3.498 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccccc1Br)CC[NH2+]CC2 ZINC000424292140 500482426 /nfs/dbraw/zinc/48/24/26/500482426.db2.gz OFUAEGZOXDIKSZ-CQSZACIVSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3c(c(Br)c1)OCO3)CC[NH2+]CC2 ZINC000424292907 500482580 /nfs/dbraw/zinc/48/25/80/500482580.db2.gz ORZBXMARVZDHQP-GFCCVEGCSA-N 2 1 367.287 3.142 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)N[C@@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301163 500483161 /nfs/dbraw/zinc/48/31/61/500483161.db2.gz XHHLCPNPYQRNCE-YLJYHZDGSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000576612352 506198329 /nfs/dbraw/zinc/19/83/29/506198329.db2.gz JOXXKBGDTKYQDM-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612352 506198331 /nfs/dbraw/zinc/19/83/31/506198331.db2.gz JOXXKBGDTKYQDM-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612352 506198332 /nfs/dbraw/zinc/19/83/32/506198332.db2.gz JOXXKBGDTKYQDM-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP CCOc1ccccc1N1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424306285 500483974 /nfs/dbraw/zinc/48/39/74/500483974.db2.gz UYLXJYPIRMUEIJ-SFHVURJKSA-N 2 1 357.473 3.089 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)COCC1CC1 ZINC000428244218 500486733 /nfs/dbraw/zinc/48/67/33/500486733.db2.gz XWZMXPFEQAJYSW-WBADGQHESA-N 2 1 372.553 3.054 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000420776445 500498207 /nfs/dbraw/zinc/49/82/07/500498207.db2.gz FTBMQRJJZKXFQJ-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000420776445 500498208 /nfs/dbraw/zinc/49/82/08/500498208.db2.gz FTBMQRJJZKXFQJ-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000420776445 500498210 /nfs/dbraw/zinc/49/82/10/500498210.db2.gz FTBMQRJJZKXFQJ-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424419626 500500388 /nfs/dbraw/zinc/50/03/88/500500388.db2.gz SFAGSFSLLRJXHY-GHTZIAJQSA-N 2 1 362.477 3.028 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424452517 500507889 /nfs/dbraw/zinc/50/78/89/500507889.db2.gz HWTBKIYDTYOAAG-NSISKUIASA-N 2 1 358.530 3.130 20 0 FGADMP CN(C/C=C/c1ccc(F)cc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428432757 500509269 /nfs/dbraw/zinc/50/92/69/500509269.db2.gz RAUWEEFKDIHQDS-PABBZOGXSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432757 500509271 /nfs/dbraw/zinc/50/92/71/500509271.db2.gz RAUWEEFKDIHQDS-PABBZOGXSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432757 500509273 /nfs/dbraw/zinc/50/92/73/500509273.db2.gz RAUWEEFKDIHQDS-PABBZOGXSA-N 2 1 354.469 3.408 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856052 500516421 /nfs/dbraw/zinc/51/64/21/500516421.db2.gz CHFAXSOYKVTFOL-VQTJNVASSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000420856052 500516424 /nfs/dbraw/zinc/51/64/24/500516424.db2.gz CHFAXSOYKVTFOL-VQTJNVASSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000420856052 500516427 /nfs/dbraw/zinc/51/64/27/500516427.db2.gz CHFAXSOYKVTFOL-VQTJNVASSA-N 2 1 372.557 3.023 20 0 FGADMP c1ccc(N[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420938180 500536502 /nfs/dbraw/zinc/53/65/02/500536502.db2.gz PDBDABDJAOEHAS-QFIPXVFZSA-N 2 1 351.494 3.205 20 0 FGADMP c1ccc(N[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420938180 500536503 /nfs/dbraw/zinc/53/65/03/500536503.db2.gz PDBDABDJAOEHAS-QFIPXVFZSA-N 2 1 351.494 3.205 20 0 FGADMP c1cc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC000420957347 500541969 /nfs/dbraw/zinc/54/19/69/500541969.db2.gz CNFXXNMFHUWKHZ-JOCHJYFZSA-N 2 1 351.494 3.293 20 0 FGADMP c1cc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)ccn1 ZINC000420957347 500541972 /nfs/dbraw/zinc/54/19/72/500541972.db2.gz CNFXXNMFHUWKHZ-JOCHJYFZSA-N 2 1 351.494 3.293 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3nc4ccccc4o3)CC2)CC1 ZINC000420985856 500548464 /nfs/dbraw/zinc/54/84/64/500548464.db2.gz WZPIJJXUURLPNH-KRWDZBQOSA-N 2 1 356.514 3.381 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)C)C2)CC1 ZINC000432833224 500574078 /nfs/dbraw/zinc/57/40/78/500574078.db2.gz VPZJWONVLYTUJV-IBGZPJMESA-N 2 1 357.542 3.054 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000437076623 500599518 /nfs/dbraw/zinc/59/95/18/500599518.db2.gz VPYIKTINHZBOTH-NAVOZUGXSA-N 2 1 364.533 3.480 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759634 500621260 /nfs/dbraw/zinc/62/12/60/500621260.db2.gz LKBSKGQTIWOIBF-NEPJUHHUSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759634 500621262 /nfs/dbraw/zinc/62/12/62/500621262.db2.gz LKBSKGQTIWOIBF-NEPJUHHUSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771993 500623946 /nfs/dbraw/zinc/62/39/46/500623946.db2.gz ULLMLUYAEIXIID-HYFFOGBASA-N 2 1 369.484 3.043 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771993 500623950 /nfs/dbraw/zinc/62/39/50/500623950.db2.gz ULLMLUYAEIXIID-HYFFOGBASA-N 2 1 369.484 3.043 20 0 FGADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000442878876 500638419 /nfs/dbraw/zinc/63/84/19/500638419.db2.gz VOXIXCYLJKHNEM-HNNXBMFYSA-N 2 1 355.473 3.273 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000442876973 500639009 /nfs/dbraw/zinc/63/90/09/500639009.db2.gz QFSZRCQEOBFMCL-QGZVFWFLSA-N 2 1 366.347 3.052 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054794 500669730 /nfs/dbraw/zinc/66/97/30/500669730.db2.gz AEOWYGDTVSUUBV-RTBURBONSA-N 2 1 365.521 3.342 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000443067459 500673622 /nfs/dbraw/zinc/67/36/22/500673622.db2.gz GRISEPFCMCJHRA-LLVKDONJSA-N 2 1 363.811 3.358 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C1 ZINC000443067459 500673624 /nfs/dbraw/zinc/67/36/24/500673624.db2.gz GRISEPFCMCJHRA-LLVKDONJSA-N 2 1 363.811 3.358 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072490 500674200 /nfs/dbraw/zinc/67/42/00/500674200.db2.gz NOBGTMINJIRYQL-CHWSQXEVSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072491 500674551 /nfs/dbraw/zinc/67/45/51/500674551.db2.gz NOBGTMINJIRYQL-OLZOCXBDSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000433367980 500682009 /nfs/dbraw/zinc/68/20/09/500682009.db2.gz RVZTWROLJBDRDG-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CN(c1ccccc1CNC[C@H]1[N@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000447900367 500688681 /nfs/dbraw/zinc/68/86/81/500688681.db2.gz BQPDKHNTYPRTQD-JOCHJYFZSA-N 2 1 372.601 3.427 20 0 FGADMP CN(c1ccccc1CNC[C@H]1[N@@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000447900367 500688686 /nfs/dbraw/zinc/68/86/86/500688686.db2.gz BQPDKHNTYPRTQD-JOCHJYFZSA-N 2 1 372.601 3.427 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447932745 500691862 /nfs/dbraw/zinc/69/18/62/500691862.db2.gz ZYPUTVSWBRTXSQ-RXVVDRJESA-N 2 1 357.498 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@H]1C ZINC000447932745 500691865 /nfs/dbraw/zinc/69/18/65/500691865.db2.gz ZYPUTVSWBRTXSQ-RXVVDRJESA-N 2 1 357.498 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000447932744 500691943 /nfs/dbraw/zinc/69/19/43/500691943.db2.gz ZYPUTVSWBRTXSQ-NQIIRXRSSA-N 2 1 357.498 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@@]1(O)CCO[C@@H]1C ZINC000447932744 500691944 /nfs/dbraw/zinc/69/19/44/500691944.db2.gz ZYPUTVSWBRTXSQ-NQIIRXRSSA-N 2 1 357.498 3.014 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447982217 500701371 /nfs/dbraw/zinc/70/13/71/500701371.db2.gz JJWBSPPPHYOIHF-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447982217 500701375 /nfs/dbraw/zinc/70/13/75/500701375.db2.gz JJWBSPPPHYOIHF-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447982217 500701376 /nfs/dbraw/zinc/70/13/76/500701376.db2.gz JJWBSPPPHYOIHF-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@@H]21 ZINC000570682863 506213558 /nfs/dbraw/zinc/21/35/58/506213558.db2.gz RHXMZOHHOWQLHB-DQEVTTJGSA-N 2 1 364.917 3.457 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@@H]21 ZINC000570682863 506213559 /nfs/dbraw/zinc/21/35/59/506213559.db2.gz RHXMZOHHOWQLHB-DQEVTTJGSA-N 2 1 364.917 3.457 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564526 500713202 /nfs/dbraw/zinc/71/32/02/500713202.db2.gz PXPGBGNGQXIQSN-SFTDATJTSA-N 2 1 370.541 3.140 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443628974 500747387 /nfs/dbraw/zinc/74/73/87/500747387.db2.gz GQJZPORTNLXWQM-KRWDZBQOSA-N 2 1 358.448 3.413 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438186899 500751791 /nfs/dbraw/zinc/75/17/91/500751791.db2.gz GGZMOSGJOVMSEB-ZNLUXHQJSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438186899 500751795 /nfs/dbraw/zinc/75/17/95/500751795.db2.gz GGZMOSGJOVMSEB-ZNLUXHQJSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000443678814 500754620 /nfs/dbraw/zinc/75/46/20/500754620.db2.gz DIZWNERTNDYYSU-AZUAARDMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000448424801 500759899 /nfs/dbraw/zinc/75/98/99/500759899.db2.gz LFNPBKGJDCZRLX-GOSISDBHSA-N 2 1 366.509 3.345 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3nccn3C)CC2)C1 ZINC000433952220 500770781 /nfs/dbraw/zinc/77/07/81/500770781.db2.gz WKDCSDTVZBADIT-GTAWCEEGSA-N 2 1 360.546 3.273 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(OCc2cccnc2)c1 ZINC000443957042 500783114 /nfs/dbraw/zinc/78/31/14/500783114.db2.gz APUPOVUJDYITEW-KRWDZBQOSA-N 2 1 367.493 3.243 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(OCc2cccnc2)c1 ZINC000443957042 500783117 /nfs/dbraw/zinc/78/31/17/500783117.db2.gz APUPOVUJDYITEW-KRWDZBQOSA-N 2 1 367.493 3.243 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438570908 500802977 /nfs/dbraw/zinc/80/29/77/500802977.db2.gz YHROWLDODYYPCH-OALUTQOASA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438570908 500802978 /nfs/dbraw/zinc/80/29/78/500802978.db2.gz YHROWLDODYYPCH-OALUTQOASA-N 2 1 359.514 3.330 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421074 506218310 /nfs/dbraw/zinc/21/83/10/506218310.db2.gz VHKZFNHKZDJXAL-MSOLQXFVSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421074 506218311 /nfs/dbraw/zinc/21/83/11/506218311.db2.gz VHKZFNHKZDJXAL-MSOLQXFVSA-N 2 1 365.477 3.349 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000438970637 500842429 /nfs/dbraw/zinc/84/24/29/500842429.db2.gz FLLXLHGYRONVLF-ROUUACIJSA-N 2 1 366.575 3.161 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000434446356 500844103 /nfs/dbraw/zinc/84/41/03/500844103.db2.gz TVBIEHITMSBLCS-NQIIRXRSSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446356 500844104 /nfs/dbraw/zinc/84/41/04/500844104.db2.gz TVBIEHITMSBLCS-NQIIRXRSSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446356 500844107 /nfs/dbraw/zinc/84/41/07/500844107.db2.gz TVBIEHITMSBLCS-NQIIRXRSSA-N 2 1 373.516 3.171 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000434676668 500877944 /nfs/dbraw/zinc/87/79/44/500877944.db2.gz SCOYBQPCUZBXFR-UHFFFAOYSA-N 2 1 351.494 3.191 20 0 FGADMP COc1ccccc1OCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434692573 500880608 /nfs/dbraw/zinc/88/06/08/500880608.db2.gz YPPQXDNYTCKXQI-UHFFFAOYSA-N 2 1 355.482 3.486 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037461 500907255 /nfs/dbraw/zinc/90/72/55/500907255.db2.gz NIDUIXBYPRHZTG-HXUWFJFHSA-N 2 1 374.504 3.159 20 0 FGADMP COc1cccc2c(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cccc12 ZINC000449036098 500907592 /nfs/dbraw/zinc/90/75/92/500907592.db2.gz ITDSQXBZDHQPNQ-PGRDOPGGSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444845291 500909757 /nfs/dbraw/zinc/90/97/57/500909757.db2.gz GDRJXIOLQWHYCB-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444845291 500909761 /nfs/dbraw/zinc/90/97/61/500909761.db2.gz GDRJXIOLQWHYCB-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CCN(CC)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000439596821 500917371 /nfs/dbraw/zinc/91/73/71/500917371.db2.gz OJARSVLYTZDYDJ-KRWDZBQOSA-N 2 1 357.498 3.258 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449080180 500919155 /nfs/dbraw/zinc/91/91/55/500919155.db2.gz TYMCILVFCOWSLZ-UHFFFAOYSA-N 2 1 372.326 3.096 20 0 FGADMP C[C@H](C[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090897 500922700 /nfs/dbraw/zinc/92/27/00/500922700.db2.gz HZVXWQILHGHQAO-IAGOWNOFSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090897 500922704 /nfs/dbraw/zinc/92/27/04/500922704.db2.gz HZVXWQILHGHQAO-IAGOWNOFSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095878 500924171 /nfs/dbraw/zinc/92/41/71/500924171.db2.gz CEILHYIKIGIGOQ-XWTMOSNGSA-N 2 1 366.571 3.150 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095878 500924175 /nfs/dbraw/zinc/92/41/75/500924175.db2.gz CEILHYIKIGIGOQ-XWTMOSNGSA-N 2 1 366.571 3.150 20 0 FGADMP COCC[N@H+]1CCC[C@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449114696 500928345 /nfs/dbraw/zinc/92/83/45/500928345.db2.gz DQGLEKAJMMRREW-IBGZPJMESA-N 2 1 353.595 3.366 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449132138 500931928 /nfs/dbraw/zinc/93/19/28/500931928.db2.gz SDVUVETUBIQLEB-UHFFFAOYSA-N 2 1 350.359 3.418 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134129 500932386 /nfs/dbraw/zinc/93/23/86/500932386.db2.gz HCKWGUKNUXZBNY-LMMKCTJWSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H](CC(C)(C)C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000449219842 500951193 /nfs/dbraw/zinc/95/11/93/500951193.db2.gz OMVKVMZXWMPBKK-KRWDZBQOSA-N 2 1 361.530 3.262 20 0 FGADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000445267935 500962997 /nfs/dbraw/zinc/96/29/97/500962997.db2.gz VJBNCSMNRIUMPS-GOSISDBHSA-N 2 1 369.553 3.112 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@H]12 ZINC000435379310 500963781 /nfs/dbraw/zinc/96/37/81/500963781.db2.gz LZMXTPUUJGYJNO-YZGWKJHDSA-N 2 1 350.510 3.394 20 0 FGADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OCc1cccnc1 ZINC000435384285 500965224 /nfs/dbraw/zinc/96/52/24/500965224.db2.gz LLLVFTLKBNFYKR-IBGZPJMESA-N 2 1 357.498 3.474 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387047 500966262 /nfs/dbraw/zinc/96/62/62/500966262.db2.gz WPKBWLTWZDYLFZ-HKUYNNGSSA-N 2 1 361.493 3.494 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@@H](C[NH3+])C4)cc3)nc12 ZINC000435394195 500967239 /nfs/dbraw/zinc/96/72/39/500967239.db2.gz MZSKHOXTQOMALH-IBGZPJMESA-N 2 1 364.493 3.392 20 0 FGADMP CCn1ccnc1C[N@@H+](C[C@@H](C)CC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425251 500972895 /nfs/dbraw/zinc/97/28/95/500972895.db2.gz YIMFFLUKKAQTOO-ICSRJNTNSA-N 2 1 374.573 3.300 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325638 500977512 /nfs/dbraw/zinc/97/75/12/500977512.db2.gz OHEZDGQRGWTHQP-ROUUACIJSA-N 2 1 364.505 3.224 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1cccc(F)c1 ZINC000449365031 500987983 /nfs/dbraw/zinc/98/79/83/500987983.db2.gz UWKQAZBHMFQSEH-JOCHJYFZSA-N 2 1 356.485 3.026 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272024 500993172 /nfs/dbraw/zinc/99/31/72/500993172.db2.gz TVMINCPKRFQLFF-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000440272024 500993176 /nfs/dbraw/zinc/99/31/76/500993176.db2.gz TVMINCPKRFQLFF-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000440272024 500993178 /nfs/dbraw/zinc/99/31/78/500993178.db2.gz TVMINCPKRFQLFF-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611708 501001634 /nfs/dbraw/zinc/00/16/34/501001634.db2.gz CDDDOEBPMUXWAM-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611708 501001637 /nfs/dbraw/zinc/00/16/37/501001637.db2.gz CDDDOEBPMUXWAM-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP COc1ccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696706 501013455 /nfs/dbraw/zinc/01/34/55/501013455.db2.gz VFEZXTGNPFUMBI-SFHVURJKSA-N 2 1 373.522 3.175 20 0 FGADMP COc1ccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696706 501013459 /nfs/dbraw/zinc/01/34/59/501013459.db2.gz VFEZXTGNPFUMBI-SFHVURJKSA-N 2 1 373.522 3.175 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510375 501021475 /nfs/dbraw/zinc/02/14/75/501021475.db2.gz XILLYEBPNGCGSC-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510375 501021479 /nfs/dbraw/zinc/02/14/79/501021479.db2.gz XILLYEBPNGCGSC-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510375 501021482 /nfs/dbraw/zinc/02/14/82/501021482.db2.gz XILLYEBPNGCGSC-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510375 501021485 /nfs/dbraw/zinc/02/14/85/501021485.db2.gz XILLYEBPNGCGSC-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@H](C)C1 ZINC000449547587 501029546 /nfs/dbraw/zinc/02/95/46/501029546.db2.gz IXBKFLRCUNGAEW-OGWOLHLISA-N 2 1 374.479 3.463 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000445842808 501039979 /nfs/dbraw/zinc/03/99/79/501039979.db2.gz MWNMHWFAGLOWAY-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(C(F)(F)F)n[nH]3)CC2)oc1C ZINC000440824356 501053671 /nfs/dbraw/zinc/05/36/71/501053671.db2.gz HQXGOGNQNLVWPX-UHFFFAOYSA-N 2 1 371.407 3.035 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449751425 501075839 /nfs/dbraw/zinc/07/58/39/501075839.db2.gz YIPDTOMPDNREFW-SLFFLAALSA-N 2 1 351.494 3.481 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449751425 501075841 /nfs/dbraw/zinc/07/58/41/501075841.db2.gz YIPDTOMPDNREFW-SLFFLAALSA-N 2 1 351.494 3.481 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](CCCc3ccccc3)C2)CC1 ZINC000441185145 501099860 /nfs/dbraw/zinc/09/98/60/501099860.db2.gz YQWPFDHJGUPTJY-NRFANRHFSA-N 2 1 371.569 3.322 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)[nH+]c1 ZINC000449930997 501129318 /nfs/dbraw/zinc/12/93/18/501129318.db2.gz XIVXQXIAGCERDQ-FQEVSTJZSA-N 2 1 370.541 3.272 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C3CCCC3)CC2)[nH+]c1 ZINC000449930997 501129320 /nfs/dbraw/zinc/12/93/20/501129320.db2.gz XIVXQXIAGCERDQ-FQEVSTJZSA-N 2 1 370.541 3.272 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000607721813 506237415 /nfs/dbraw/zinc/23/74/15/506237415.db2.gz VDAPBCUJGQUSAS-DLBZAZTESA-N 2 1 362.518 3.011 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCC1 ZINC000611639499 506239561 /nfs/dbraw/zinc/23/95/61/506239561.db2.gz DZLGKWZAUSANEP-QZTJIDSGSA-N 2 1 364.534 3.082 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3CCC([N@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000450319467 501232983 /nfs/dbraw/zinc/23/29/83/501232983.db2.gz LVRQLZDHLBBKTI-MRXNPFEDSA-N 2 1 357.498 3.303 20 0 FGADMP Fc1ccc(C[NH+]2CCC[C@@]23CCOC3)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000450947956 501234371 /nfs/dbraw/zinc/23/43/71/501234371.db2.gz ZHGJSLBJOMGHCI-VXKWHMMOSA-N 2 1 374.500 3.336 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000451323651 501264941 /nfs/dbraw/zinc/26/49/41/501264941.db2.gz VXADTMBIYQJPLW-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451323651 501264943 /nfs/dbraw/zinc/26/49/43/501264943.db2.gz VXADTMBIYQJPLW-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451323651 501264945 /nfs/dbraw/zinc/26/49/45/501264945.db2.gz VXADTMBIYQJPLW-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453109737 501270851 /nfs/dbraw/zinc/27/08/51/501270851.db2.gz AJZWYZRFJYLTAE-KNQAVFIVSA-N 2 1 353.510 3.019 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453109737 501270855 /nfs/dbraw/zinc/27/08/55/501270855.db2.gz AJZWYZRFJYLTAE-KNQAVFIVSA-N 2 1 353.510 3.019 20 0 FGADMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108009 501271218 /nfs/dbraw/zinc/27/12/18/501271218.db2.gz JZKDOEKQBDLUQQ-RTWAWAEBSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000457648831 501277021 /nfs/dbraw/zinc/27/70/21/501277021.db2.gz KUCXWATUENZWMS-GOSISDBHSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000457648831 501277023 /nfs/dbraw/zinc/27/70/23/501277023.db2.gz KUCXWATUENZWMS-GOSISDBHSA-N 2 1 372.557 3.153 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453153530 501280527 /nfs/dbraw/zinc/28/05/27/501280527.db2.gz VFPKNHGVKDDFBW-BQJUDKOJSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)(F)F ZINC000453165134 501282716 /nfs/dbraw/zinc/28/27/16/501282716.db2.gz AYWSDXRCCICYDY-BDXSIMOUSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451403626 501284304 /nfs/dbraw/zinc/28/43/04/501284304.db2.gz DORGXNSHMCHUIP-HYVNUMGLSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451403626 501284307 /nfs/dbraw/zinc/28/43/07/501284307.db2.gz DORGXNSHMCHUIP-HYVNUMGLSA-N 2 1 371.447 3.068 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1=O ZINC000453208530 501291891 /nfs/dbraw/zinc/29/18/91/501291891.db2.gz BYLUZACOOSBVIP-BDTNDASRSA-N 2 1 365.521 3.401 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453218854 501293223 /nfs/dbraw/zinc/29/32/23/501293223.db2.gz NUUCYZQLIJQSQK-LUYSREMJSA-N 2 1 356.510 3.361 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)c1cccnc1 ZINC000453234374 501295682 /nfs/dbraw/zinc/29/56/82/501295682.db2.gz SGHYOGRHIVUWHO-GPJHCHHRSA-N 2 1 365.521 3.190 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000457800924 501311705 /nfs/dbraw/zinc/31/17/05/501311705.db2.gz XXEGZOGKPHUUPI-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453316727 501313957 /nfs/dbraw/zinc/31/39/57/501313957.db2.gz JXRDZWHOIQOYDD-BMXMUORJSA-N 2 1 372.553 3.318 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534224 501314925 /nfs/dbraw/zinc/31/49/25/501314925.db2.gz NEGYMYVBTICQGI-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534224 501314927 /nfs/dbraw/zinc/31/49/27/501314927.db2.gz NEGYMYVBTICQGI-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534224 501314930 /nfs/dbraw/zinc/31/49/30/501314930.db2.gz NEGYMYVBTICQGI-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000451534224 501314932 /nfs/dbraw/zinc/31/49/32/501314932.db2.gz NEGYMYVBTICQGI-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP Cn1nncc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453597254 501357523 /nfs/dbraw/zinc/35/75/23/501357523.db2.gz LEWJAVAYGABTEB-QFIPXVFZSA-N 2 1 367.541 3.472 20 0 FGADMP C[S@@](=O)C1(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602656239 506248420 /nfs/dbraw/zinc/24/84/20/506248420.db2.gz NKVODTHHBGUKGJ-CJFMBICVSA-N 2 1 362.583 3.426 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000458093794 501371000 /nfs/dbraw/zinc/37/10/00/501371000.db2.gz QNJLWMGFJGKIOA-HXUWFJFHSA-N 2 1 374.573 3.461 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000458236645 501400779 /nfs/dbraw/zinc/40/07/79/501400779.db2.gz YVLHIPWSUPMLJM-HXUWFJFHSA-N 2 1 357.542 3.137 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492314 506253635 /nfs/dbraw/zinc/25/36/35/506253635.db2.gz KRDWRWPOICLSSM-IVAOSVALSA-N 2 1 358.526 3.386 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492314 506253641 /nfs/dbraw/zinc/25/36/41/506253641.db2.gz KRDWRWPOICLSSM-IVAOSVALSA-N 2 1 358.526 3.386 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505987 501461291 /nfs/dbraw/zinc/46/12/91/501461291.db2.gz NGJGPTOUIHSMFP-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505987 501461293 /nfs/dbraw/zinc/46/12/93/501461293.db2.gz NGJGPTOUIHSMFP-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505987 501461294 /nfs/dbraw/zinc/46/12/94/501461294.db2.gz NGJGPTOUIHSMFP-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000458523421 501465538 /nfs/dbraw/zinc/46/55/38/501465538.db2.gz IFKFPJIHEQJURE-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[N@@H+](C)C2CC2)cc1 ZINC000458523421 501465541 /nfs/dbraw/zinc/46/55/41/501465541.db2.gz IFKFPJIHEQJURE-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454320012 501512692 /nfs/dbraw/zinc/51/26/92/501512692.db2.gz LGWCFZGSBLATSY-UHFFFAOYSA-N 2 1 372.557 3.133 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1)C(C)C ZINC000588276245 506257608 /nfs/dbraw/zinc/25/76/08/506257608.db2.gz MXEOKLAOUGGWIF-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000588276245 506257614 /nfs/dbraw/zinc/25/76/14/506257614.db2.gz MXEOKLAOUGGWIF-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000588276245 506257616 /nfs/dbraw/zinc/25/76/16/506257616.db2.gz MXEOKLAOUGGWIF-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000456687261 501577242 /nfs/dbraw/zinc/57/72/42/501577242.db2.gz WZLZHNPMZCGLGF-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000456687261 501577244 /nfs/dbraw/zinc/57/72/44/501577244.db2.gz WZLZHNPMZCGLGF-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCCCC[N@@H+](C)C3CC3)C2)CC1 ZINC000459157115 501605474 /nfs/dbraw/zinc/60/54/74/501605474.db2.gz MDFPXUAUEDTKCZ-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459334936 501633392 /nfs/dbraw/zinc/63/33/92/501633392.db2.gz MOIARSMIJKWCFY-UHFFFAOYSA-N 2 1 369.553 3.330 20 0 FGADMP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000457058075 501642786 /nfs/dbraw/zinc/64/27/86/501642786.db2.gz VNYDHGOMHCSDCP-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000457078025 501645794 /nfs/dbraw/zinc/64/57/94/501645794.db2.gz AHZYVEIMWADLNK-FQEVSTJZSA-N 2 1 357.542 3.230 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)[C@@H]1SC ZINC000459400390 501646959 /nfs/dbraw/zinc/64/69/59/501646959.db2.gz HJOQSOVNZDXROP-SCTDSRPQSA-N 2 1 367.559 3.002 20 0 FGADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1C(F)(F)F ZINC000459434030 501652804 /nfs/dbraw/zinc/65/28/04/501652804.db2.gz CIGKFBQDJJTXQN-CQSZACIVSA-N 2 1 356.432 3.073 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433421 501652886 /nfs/dbraw/zinc/65/28/86/501652886.db2.gz NJSHXYZEHHIWMG-TZIWHRDSSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433421 501652887 /nfs/dbraw/zinc/65/28/87/501652887.db2.gz NJSHXYZEHHIWMG-TZIWHRDSSA-N 2 1 358.913 3.355 20 0 FGADMP Cc1cc(C)c(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000454960845 501662255 /nfs/dbraw/zinc/66/22/55/501662255.db2.gz MLFVZIIXJKQQPC-XLIONFOSSA-N 2 1 352.482 3.161 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000459722429 501704026 /nfs/dbraw/zinc/70/40/26/501704026.db2.gz BIFPAKIZUCXZQD-CYBMUJFWSA-N 2 1 368.312 3.396 20 0 FGADMP CO[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000467289163 501759869 /nfs/dbraw/zinc/75/98/69/501759869.db2.gz MCBDRGZJGUPVBR-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[N@H+](Cc2ccccc2C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000467289163 501759873 /nfs/dbraw/zinc/75/98/73/501759873.db2.gz MCBDRGZJGUPVBR-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@H]1C ZINC000467289163 501759877 /nfs/dbraw/zinc/75/98/77/501759877.db2.gz MCBDRGZJGUPVBR-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CC(C)[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000474258034 501763477 /nfs/dbraw/zinc/76/34/77/501763477.db2.gz JDDSNNDNCHYDPG-JOCHJYFZSA-N 2 1 371.569 3.302 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322919 501789626 /nfs/dbraw/zinc/78/96/26/501789626.db2.gz HMJPXTNUZMUSJK-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322919 501789630 /nfs/dbraw/zinc/78/96/30/501789630.db2.gz HMJPXTNUZMUSJK-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000467515895 501814007 /nfs/dbraw/zinc/81/40/07/501814007.db2.gz BRTAKFDIEGDLNL-UHFFFAOYSA-N 3 1 358.574 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCC[NH+]2CCCC2)CC1 ZINC000467515895 501814013 /nfs/dbraw/zinc/81/40/13/501814013.db2.gz BRTAKFDIEGDLNL-UHFFFAOYSA-N 3 1 358.574 3.136 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CCOCC1 ZINC000481557321 501814072 /nfs/dbraw/zinc/81/40/72/501814072.db2.gz ABDMHSDFPPGOFG-MAUKXSAKSA-N 2 1 366.933 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000477926196 501830627 /nfs/dbraw/zinc/83/06/27/501830627.db2.gz KNSFOGLUZZYYDY-ZHHKINOHSA-N 2 1 360.542 3.491 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520464 501847601 /nfs/dbraw/zinc/84/76/01/501847601.db2.gz ISDHUACJDLUNMT-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520464 501847605 /nfs/dbraw/zinc/84/76/05/501847605.db2.gz ISDHUACJDLUNMT-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520464 501847611 /nfs/dbraw/zinc/84/76/11/501847611.db2.gz ISDHUACJDLUNMT-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000474482035 501851035 /nfs/dbraw/zinc/85/10/35/501851035.db2.gz ZBUSZNJXQZCYJO-UHFFFAOYSA-N 2 1 374.525 3.120 20 0 FGADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000474615205 501894719 /nfs/dbraw/zinc/89/47/19/501894719.db2.gz PNVWRLSAKPVWGQ-HDICACEKSA-N 2 1 356.514 3.363 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000481926728 501921328 /nfs/dbraw/zinc/92/13/28/501921328.db2.gz WPBXXRPHCGNJOX-RDJZCZTQSA-N 2 1 358.448 3.463 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000474708482 501928315 /nfs/dbraw/zinc/92/83/15/501928315.db2.gz LNQKXKORLHODNE-ZOBUZTSGSA-N 2 1 351.922 3.009 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000468018674 501931392 /nfs/dbraw/zinc/93/13/92/501931392.db2.gz ACBYEWGZGNPFRS-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352762 501963738 /nfs/dbraw/zinc/96/37/38/501963738.db2.gz CYOXGCKCMLTPAC-RTWAWAEBSA-N 2 1 357.542 3.450 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460952067 501968166 /nfs/dbraw/zinc/96/81/66/501968166.db2.gz ZIXKWCNUCCXTNU-VIQWUECVSA-N 2 1 352.567 3.057 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000482084094 501969887 /nfs/dbraw/zinc/96/98/87/501969887.db2.gz WTGUASNVJMRGFY-UIFIKXQLSA-N 2 1 357.542 3.497 20 0 FGADMP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000485883485 501974829 /nfs/dbraw/zinc/97/48/29/501974829.db2.gz NXOWYILBFBATHR-WIYYLYMNSA-N 2 1 357.542 3.402 20 0 FGADMP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000485883484 501975580 /nfs/dbraw/zinc/97/55/80/501975580.db2.gz NXOWYILBFBATHR-RXVVDRJESA-N 2 1 357.542 3.402 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000482110109 501977511 /nfs/dbraw/zinc/97/75/11/501977511.db2.gz NCLPMRQBWCHDFY-OAHLLOKOSA-N 2 1 350.260 3.458 20 0 FGADMP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000482268723 502025241 /nfs/dbraw/zinc/02/52/41/502025241.db2.gz ZQXNSHQHFCGKQY-AWEZNQCLSA-N 2 1 370.419 3.237 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026051 502026205 /nfs/dbraw/zinc/02/62/05/502026205.db2.gz KTKSDJRGQMXNMX-SFTDATJTSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026051 502026207 /nfs/dbraw/zinc/02/62/07/502026207.db2.gz KTKSDJRGQMXNMX-SFTDATJTSA-N 2 1 369.484 3.382 20 0 FGADMP C[C@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468428362 502056828 /nfs/dbraw/zinc/05/68/28/502056828.db2.gz MLJTVGNEVXRXQX-DYESRHJHSA-N 2 1 357.542 3.442 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746937 502074171 /nfs/dbraw/zinc/07/41/71/502074171.db2.gz NBIKFUDFUGVAIW-QGZVFWFLSA-N 2 1 370.900 3.359 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3cc4c(s3)CCCC4)o2)CC1 ZINC000461390917 502091136 /nfs/dbraw/zinc/09/11/36/502091136.db2.gz XYXRPBKNUBFQQR-UHFFFAOYSA-N 2 1 360.527 3.451 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H](C)C[NH+]1CCCCCC1 ZINC000482508608 502093262 /nfs/dbraw/zinc/09/32/62/502093262.db2.gz LPNXSLWMBTZNQX-QZTJIDSGSA-N 2 1 361.530 3.187 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000461429400 502110984 /nfs/dbraw/zinc/11/09/84/502110984.db2.gz OAKJDMQRUKKGOE-BZEYQNPTSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429400 502110987 /nfs/dbraw/zinc/11/09/87/502110987.db2.gz OAKJDMQRUKKGOE-BZEYQNPTSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429400 502110990 /nfs/dbraw/zinc/11/09/90/502110990.db2.gz OAKJDMQRUKKGOE-BZEYQNPTSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000461429402 502111281 /nfs/dbraw/zinc/11/12/81/502111281.db2.gz OAKJDMQRUKKGOE-MGFHSNFOSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429402 502111284 /nfs/dbraw/zinc/11/12/84/502111284.db2.gz OAKJDMQRUKKGOE-MGFHSNFOSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429402 502111288 /nfs/dbraw/zinc/11/12/88/502111288.db2.gz OAKJDMQRUKKGOE-MGFHSNFOSA-N 2 1 369.553 3.228 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000464953618 502154073 /nfs/dbraw/zinc/15/40/73/502154073.db2.gz PJBJNCQKOBNCFI-GBESFXJTSA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000479186675 502187537 /nfs/dbraw/zinc/18/75/37/502187537.db2.gz MKVHWAYJENXYRJ-HXUWFJFHSA-N 2 1 357.473 3.025 20 0 FGADMP CCSc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482904457 502212928 /nfs/dbraw/zinc/21/29/28/502212928.db2.gz RJJLPNFCFKFDRW-MRXNPFEDSA-N 2 1 363.571 3.392 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNc1ccn(C2CC[NH+](C)CC2)n1 ZINC000486800072 502265821 /nfs/dbraw/zinc/26/58/21/502265821.db2.gz RREVMWJBTBLEOO-UHFFFAOYSA-N 2 1 369.557 3.142 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738347 502275097 /nfs/dbraw/zinc/27/50/97/502275097.db2.gz JIWUDLRABQMQMV-FGZHOGPDSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475738347 502275101 /nfs/dbraw/zinc/27/51/01/502275101.db2.gz JIWUDLRABQMQMV-FGZHOGPDSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475738347 502275105 /nfs/dbraw/zinc/27/51/05/502275105.db2.gz JIWUDLRABQMQMV-FGZHOGPDSA-N 2 1 360.542 3.008 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261070 502288148 /nfs/dbraw/zinc/28/81/48/502288148.db2.gz BVNDHETXBGPUND-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261070 502288151 /nfs/dbraw/zinc/28/81/51/502288151.db2.gz BVNDHETXBGPUND-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483181036 502304706 /nfs/dbraw/zinc/30/47/06/502304706.db2.gz RNBFGYNDRGRRMR-LJQANCHMSA-N 2 1 366.594 3.308 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563013 502308568 /nfs/dbraw/zinc/30/85/68/502308568.db2.gz FKDGWVPIXKQMRA-QUCCMNQESA-N 2 1 366.594 3.260 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000465564656 502309034 /nfs/dbraw/zinc/30/90/34/502309034.db2.gz FVCOPFDVJLLUCE-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)CC(C)C ZINC000465579543 502313976 /nfs/dbraw/zinc/31/39/76/502313976.db2.gz XFPBBRWPESLVEX-AABGKKOBSA-N 2 1 366.594 3.400 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006372 502329617 /nfs/dbraw/zinc/32/96/17/502329617.db2.gz NFRMUWDOEQPCRT-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006372 502329622 /nfs/dbraw/zinc/32/96/22/502329622.db2.gz NFRMUWDOEQPCRT-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006372 502329625 /nfs/dbraw/zinc/32/96/25/502329625.db2.gz NFRMUWDOEQPCRT-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000483260060 502331307 /nfs/dbraw/zinc/33/13/07/502331307.db2.gz PXIFPWCTMHHQJZ-KRWDZBQOSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266306 502334140 /nfs/dbraw/zinc/33/41/40/502334140.db2.gz JVZBBIRDGPWNFJ-PMACEKPBSA-N 2 1 371.569 3.466 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000487064046 502346825 /nfs/dbraw/zinc/34/68/25/502346825.db2.gz BMOXYOBKEBWWSO-QFIPXVFZSA-N 2 1 365.521 3.389 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000487082199 502352541 /nfs/dbraw/zinc/35/25/41/502352541.db2.gz FWZZOMWXFLKHFG-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709731 502355687 /nfs/dbraw/zinc/35/56/87/502355687.db2.gz DZBRIPPWCAILED-RTWAWAEBSA-N 2 1 372.557 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000465746202 502368125 /nfs/dbraw/zinc/36/81/25/502368125.db2.gz DWZNMIWRMUSDBZ-ZJOUEHCJSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000465746202 502368126 /nfs/dbraw/zinc/36/81/26/502368126.db2.gz DWZNMIWRMUSDBZ-ZJOUEHCJSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000465746202 502368127 /nfs/dbraw/zinc/36/81/27/502368127.db2.gz DWZNMIWRMUSDBZ-ZJOUEHCJSA-N 2 1 372.557 3.195 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498482 502370397 /nfs/dbraw/zinc/37/03/97/502370397.db2.gz KAERJWKXOCJSNO-TZIWHRDSSA-N 2 1 374.569 3.388 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498482 502370400 /nfs/dbraw/zinc/37/04/00/502370400.db2.gz KAERJWKXOCJSNO-TZIWHRDSSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498482 502370406 /nfs/dbraw/zinc/37/04/06/502370406.db2.gz KAERJWKXOCJSNO-TZIWHRDSSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498482 502370413 /nfs/dbraw/zinc/37/04/13/502370413.db2.gz KAERJWKXOCJSNO-TZIWHRDSSA-N 2 1 374.569 3.388 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000465768596 502378827 /nfs/dbraw/zinc/37/88/27/502378827.db2.gz CQMQSEXHWLGAMI-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000469367179 502389397 /nfs/dbraw/zinc/38/93/97/502389397.db2.gz KDEMDXBXZUGKJU-KDURUIRLSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000469367179 502389404 /nfs/dbraw/zinc/38/94/04/502389404.db2.gz KDEMDXBXZUGKJU-KDURUIRLSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000469367179 502389409 /nfs/dbraw/zinc/38/94/09/502389409.db2.gz KDEMDXBXZUGKJU-KDURUIRLSA-N 2 1 357.542 3.230 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000465861391 502405897 /nfs/dbraw/zinc/40/58/97/502405897.db2.gz AAPQMYFDXQOCBP-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000465861391 502405903 /nfs/dbraw/zinc/40/59/03/502405903.db2.gz AAPQMYFDXQOCBP-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000465861391 502405909 /nfs/dbraw/zinc/40/59/09/502405909.db2.gz AAPQMYFDXQOCBP-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000469434695 502416115 /nfs/dbraw/zinc/41/61/15/502416115.db2.gz SFBDUMWTKQPBQX-NJYVYQBISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000469434695 502416118 /nfs/dbraw/zinc/41/61/18/502416118.db2.gz SFBDUMWTKQPBQX-NJYVYQBISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000469434695 502416122 /nfs/dbraw/zinc/41/61/22/502416122.db2.gz SFBDUMWTKQPBQX-NJYVYQBISA-N 2 1 372.557 3.069 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000465906561 502423277 /nfs/dbraw/zinc/42/32/77/502423277.db2.gz YIPTUHOAGNBSNE-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000469497964 502441025 /nfs/dbraw/zinc/44/10/25/502441025.db2.gz QHLPMNUXZUSVSN-HXUWFJFHSA-N 2 1 373.928 3.363 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000469523061 502451039 /nfs/dbraw/zinc/45/10/39/502451039.db2.gz CNDXDKNIOKNUEF-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523061 502451042 /nfs/dbraw/zinc/45/10/42/502451042.db2.gz CNDXDKNIOKNUEF-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523061 502451048 /nfs/dbraw/zinc/45/10/48/502451048.db2.gz CNDXDKNIOKNUEF-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469523061 502451053 /nfs/dbraw/zinc/45/10/53/502451053.db2.gz CNDXDKNIOKNUEF-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469523061 502451057 /nfs/dbraw/zinc/45/10/57/502451057.db2.gz CNDXDKNIOKNUEF-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568877 502466648 /nfs/dbraw/zinc/46/66/48/502466648.db2.gz MYAUXHMDRQCBEP-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)[NH+]1CCCC1 ZINC000483709978 502470804 /nfs/dbraw/zinc/47/08/04/502470804.db2.gz LCYWLBJSHIRRTJ-SXLOBPIMSA-N 2 1 366.594 3.401 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@@H]1C ZINC000483767197 502486957 /nfs/dbraw/zinc/48/69/57/502486957.db2.gz GAYRENQBBYCMKW-IHPCNDPISA-N 2 1 360.546 3.112 20 0 FGADMP C[C@@H](CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002322 502496108 /nfs/dbraw/zinc/49/61/08/502496108.db2.gz ROOUUNJFOYUDMC-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473002322 502496113 /nfs/dbraw/zinc/49/61/13/502496113.db2.gz ROOUUNJFOYUDMC-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473002322 502496120 /nfs/dbraw/zinc/49/61/20/502496120.db2.gz ROOUUNJFOYUDMC-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000582594247 506316996 /nfs/dbraw/zinc/31/69/96/506316996.db2.gz FIFRSQKSICRXIE-MRXNPFEDSA-N 2 1 358.530 3.354 20 0 FGADMP C[C@H](CCNC(=O)N1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000473020429 502502540 /nfs/dbraw/zinc/50/25/40/502502540.db2.gz JTQQCNPYDCATMI-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462628267 502512774 /nfs/dbraw/zinc/51/27/74/502512774.db2.gz DMFAZGSSJBJUBO-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](C)C1 ZINC000469729039 502519282 /nfs/dbraw/zinc/51/92/82/502519282.db2.gz NSNLICIGRGKDLU-OXJNMPFZSA-N 2 1 352.482 3.049 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747156 502521128 /nfs/dbraw/zinc/52/11/28/502521128.db2.gz FRCFCQJEBRCCEL-ZGBFETHSSA-N 2 1 361.505 3.104 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000480327685 502538718 /nfs/dbraw/zinc/53/87/18/502538718.db2.gz NQIGRZRPUMEBNR-QGZVFWFLSA-N 2 1 358.917 3.203 20 0 FGADMP CCCCN(CC)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000469783973 502544569 /nfs/dbraw/zinc/54/45/69/502544569.db2.gz SRLNBGDFDNVSJT-OALUTQOASA-N 2 1 359.558 3.381 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000476654288 502552755 /nfs/dbraw/zinc/55/27/55/502552755.db2.gz LCFMKACHMWFEEX-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000476654288 502552759 /nfs/dbraw/zinc/55/27/59/502552759.db2.gz LCFMKACHMWFEEX-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748966 502557068 /nfs/dbraw/zinc/55/70/68/502557068.db2.gz GLKHVJHGBXRDES-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487925163 502569647 /nfs/dbraw/zinc/56/96/47/502569647.db2.gz VUXPWAJXQAJZFD-OYNPSCLESA-N 2 1 372.557 3.069 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000473347545 502569852 /nfs/dbraw/zinc/56/98/52/502569852.db2.gz RQFGLUGJIROVHU-OAQYLSRUSA-N 2 1 359.558 3.320 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1C[NH+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000487965686 502582579 /nfs/dbraw/zinc/58/25/79/502582579.db2.gz WWBQYHOVNDEQSF-ZTFGCOKTSA-N 2 1 351.922 3.037 20 0 FGADMP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000484148282 502584802 /nfs/dbraw/zinc/58/48/02/502584802.db2.gz SBWMYQDKOBDPJJ-FBBABVLZSA-N 2 1 354.494 3.229 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4c(O)cccc43)cc2)CC1 ZINC000462885392 502613137 /nfs/dbraw/zinc/61/31/37/502613137.db2.gz UPHJWAYLPMFFNA-JOCHJYFZSA-N 2 1 365.521 3.307 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510107 502615531 /nfs/dbraw/zinc/61/55/31/502615531.db2.gz VFPWNFUNSBOAJW-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510107 502615537 /nfs/dbraw/zinc/61/55/37/502615537.db2.gz VFPWNFUNSBOAJW-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510107 502615542 /nfs/dbraw/zinc/61/55/42/502615542.db2.gz VFPWNFUNSBOAJW-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510106 502615840 /nfs/dbraw/zinc/61/58/40/502615840.db2.gz VFPWNFUNSBOAJW-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510106 502615847 /nfs/dbraw/zinc/61/58/47/502615847.db2.gz VFPWNFUNSBOAJW-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510106 502615855 /nfs/dbraw/zinc/61/58/55/502615855.db2.gz VFPWNFUNSBOAJW-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1)[NH+]1CCCC1 ZINC000480654479 502634175 /nfs/dbraw/zinc/63/41/75/502634175.db2.gz SUDDGDKSFCAAGB-ILWGZMRPSA-N 2 1 359.558 3.158 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466806690 502687149 /nfs/dbraw/zinc/68/71/49/502687149.db2.gz NFMOSSMNYVABGE-NRFANRHFSA-N 2 1 374.573 3.100 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[NH+](C)CC2)c1 ZINC000473753035 502697103 /nfs/dbraw/zinc/69/71/03/502697103.db2.gz WMKBJPQCOIMHNN-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+](C)CC2)c1 ZINC000473753035 502697105 /nfs/dbraw/zinc/69/71/05/502697105.db2.gz WMKBJPQCOIMHNN-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000473753035 502697107 /nfs/dbraw/zinc/69/71/07/502697107.db2.gz WMKBJPQCOIMHNN-UHFFFAOYSA-N 2 1 360.546 3.156 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000480965911 502715699 /nfs/dbraw/zinc/71/56/99/502715699.db2.gz CAINCHGQRUUHME-GOSISDBHSA-N 2 1 351.560 3.225 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240814 502715888 /nfs/dbraw/zinc/71/58/88/502715888.db2.gz AGDWQCQAYOORDB-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000477240814 502715891 /nfs/dbraw/zinc/71/58/91/502715891.db2.gz AGDWQCQAYOORDB-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000477240814 502715893 /nfs/dbraw/zinc/71/58/93/502715893.db2.gz AGDWQCQAYOORDB-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000470249525 502716887 /nfs/dbraw/zinc/71/68/87/502716887.db2.gz XYLDJNLMLXCJOL-HFTRVMKXSA-N 2 1 374.447 3.056 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000477292493 502731986 /nfs/dbraw/zinc/73/19/86/502731986.db2.gz TXPRIKBYRUUMPA-GOSISDBHSA-N 2 1 366.594 3.499 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000477339583 502747384 /nfs/dbraw/zinc/74/73/84/502747384.db2.gz QTEMXKPTDDXOCM-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP O=C1CCCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463297392 502747789 /nfs/dbraw/zinc/74/77/89/502747789.db2.gz LFMUPMUGBYFKFV-SEJPIABJSA-N 2 1 355.526 3.174 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1cccs1 ZINC000470366029 502751964 /nfs/dbraw/zinc/75/19/64/502751964.db2.gz BGIQVTRBJSTEMK-APWZRJJASA-N 2 1 355.507 3.164 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481176158 502773121 /nfs/dbraw/zinc/77/31/21/502773121.db2.gz XIJVIRAXKQWCSV-APDGNVHQSA-N 2 1 357.542 3.182 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481176158 502773126 /nfs/dbraw/zinc/77/31/26/502773126.db2.gz XIJVIRAXKQWCSV-APDGNVHQSA-N 2 1 357.542 3.182 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474013677 502778750 /nfs/dbraw/zinc/77/87/50/502778750.db2.gz VLAXVROLSPEAFE-FHWLQOOXSA-N 2 1 374.573 3.173 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504912984 502822959 /nfs/dbraw/zinc/82/29/59/502822959.db2.gz ATWVMNPHVQXWCB-NRFANRHFSA-N 2 1 372.557 3.263 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000495696490 502858454 /nfs/dbraw/zinc/85/84/54/502858454.db2.gz LOLVUNWWEKWYDI-RBUKOAKNSA-N 2 1 363.571 3.036 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823340 502871157 /nfs/dbraw/zinc/87/11/57/502871157.db2.gz AHIOIELRCWCHDR-SFTDATJTSA-N 2 1 372.557 3.387 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1CN1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000513338950 502908212 /nfs/dbraw/zinc/90/82/12/502908212.db2.gz UHGUIVCUOMWVLQ-SFHVURJKSA-N 2 1 370.541 3.273 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1CN1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000513338949 502908793 /nfs/dbraw/zinc/90/87/93/502908793.db2.gz UHGUIVCUOMWVLQ-GOSISDBHSA-N 2 1 370.541 3.273 20 0 FGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000497400842 502949903 /nfs/dbraw/zinc/94/99/03/502949903.db2.gz JTZLQWONDVPXKM-FCHUYYIVSA-N 2 1 372.472 3.075 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513493712 502952430 /nfs/dbraw/zinc/95/24/30/502952430.db2.gz CGLMILIYUXBSGB-FXAWDEMLSA-N 2 1 351.494 3.176 20 0 FGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000497417600 502953747 /nfs/dbraw/zinc/95/37/47/502953747.db2.gz ODNLVOSBJUMSET-FCHUYYIVSA-N 2 1 363.505 3.110 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000501348660 502989962 /nfs/dbraw/zinc/98/99/62/502989962.db2.gz QBZZGSQTXQXGFB-RTWAWAEBSA-N 2 1 372.557 3.195 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000501348660 502989966 /nfs/dbraw/zinc/98/99/66/502989966.db2.gz QBZZGSQTXQXGFB-RTWAWAEBSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683002 502999916 /nfs/dbraw/zinc/99/99/16/502999916.db2.gz DYLNNOUGCSHLKC-PSWRPDDJSA-N 2 1 369.553 3.278 20 0 FGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CCCC1 ZINC000489764498 503028509 /nfs/dbraw/zinc/02/85/09/503028509.db2.gz GMYLRJSLCLXPIS-UHFFFAOYSA-N 2 1 357.420 3.485 20 0 FGADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CCCC1 ZINC000489764498 503028512 /nfs/dbraw/zinc/02/85/12/503028512.db2.gz GMYLRJSLCLXPIS-UHFFFAOYSA-N 2 1 357.420 3.485 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000513900381 503045101 /nfs/dbraw/zinc/04/51/01/503045101.db2.gz WMZFGMQVZCVXES-IYBDPMFKSA-N 2 1 366.594 3.351 20 0 FGADMP CCN(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979047 503080608 /nfs/dbraw/zinc/08/06/08/503080608.db2.gz GPSGTEMBCCDBBM-XMSQKQJNSA-N 2 1 365.521 3.242 20 0 FGADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[NH+]2CCCC2)c1 ZINC000514093528 503085397 /nfs/dbraw/zinc/08/53/97/503085397.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093528 503085400 /nfs/dbraw/zinc/08/54/00/503085400.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 2 1 357.542 3.295 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)c1 ZINC000514093528 503085405 /nfs/dbraw/zinc/08/54/05/503085405.db2.gz JIAHOHXJAWEGLP-CZYKHXBRSA-N 2 1 357.542 3.295 20 0 FGADMP CC(C)CN1CCO[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000514100579 503088246 /nfs/dbraw/zinc/08/82/46/503088246.db2.gz WSTBOTIUVRKSTA-XPPIMPSXSA-N 2 1 373.585 3.376 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490092627 503108734 /nfs/dbraw/zinc/10/87/34/503108734.db2.gz WWRQMKNGWPXXMF-FQEVSTJZSA-N 2 1 360.452 3.343 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000490092627 503108735 /nfs/dbraw/zinc/10/87/35/503108735.db2.gz WWRQMKNGWPXXMF-FQEVSTJZSA-N 2 1 360.452 3.343 20 0 FGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193699 503109706 /nfs/dbraw/zinc/10/97/06/503109706.db2.gz GYIBUZSNDBSMOR-FNAHDJPLSA-N 2 1 356.510 3.193 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205762 503112338 /nfs/dbraw/zinc/11/23/38/503112338.db2.gz GKSOZWYOPCMIRS-NRFANRHFSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000490172697 503122021 /nfs/dbraw/zinc/12/20/21/503122021.db2.gz QCCZVTSGDRTULG-FXAWDEMLSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000514244957 503124771 /nfs/dbraw/zinc/12/47/71/503124771.db2.gz PPMBDXQPGYZPEK-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000514244957 503124773 /nfs/dbraw/zinc/12/47/73/503124773.db2.gz PPMBDXQPGYZPEK-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000514244957 503124774 /nfs/dbraw/zinc/12/47/74/503124774.db2.gz PPMBDXQPGYZPEK-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP [NH3+][C@@H](CC(F)F)C(=O)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000498198171 503128470 /nfs/dbraw/zinc/12/84/70/503128470.db2.gz JXNLTNOLTHUMLS-KRWDZBQOSA-N 2 1 365.468 3.016 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1C ZINC000498229277 503136430 /nfs/dbraw/zinc/13/64/30/503136430.db2.gz VRXWGLINKSZJOO-MOPGFXCFSA-N 2 1 372.557 3.084 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000498259765 503145513 /nfs/dbraw/zinc/14/55/13/503145513.db2.gz OFGHLSBBNXDUED-MSOLQXFVSA-N 2 1 360.546 3.153 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000582669041 506356291 /nfs/dbraw/zinc/35/62/91/506356291.db2.gz WWWPNPNEMQCCLT-PKOBYXMFSA-N 2 1 372.488 3.045 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491020165 503262307 /nfs/dbraw/zinc/26/23/07/503262307.db2.gz NBHRIFJIGSBZDV-SIKLNZKXSA-N 2 1 373.585 3.321 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000502792690 503273103 /nfs/dbraw/zinc/27/31/03/503273103.db2.gz DSGCUODQIAOVHX-SFHVURJKSA-N 2 1 372.557 3.434 20 0 FGADMP CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000511264859 503290481 /nfs/dbraw/zinc/29/04/81/503290481.db2.gz GYEAMJCNPZMZBI-JOCHJYFZSA-N 2 1 365.521 3.315 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491293495 503294840 /nfs/dbraw/zinc/29/48/40/503294840.db2.gz FCSKZZOJLFFETD-HSZRJFAPSA-N 2 1 350.506 3.422 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000502911204 503305746 /nfs/dbraw/zinc/30/57/46/503305746.db2.gz GCGBXBWOKKGJBP-OALUTQOASA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000502911204 503305749 /nfs/dbraw/zinc/30/57/49/503305749.db2.gz GCGBXBWOKKGJBP-OALUTQOASA-N 2 1 372.557 3.297 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511585472 503348757 /nfs/dbraw/zinc/34/87/57/503348757.db2.gz KXQPNADFHBODDS-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511585472 503348761 /nfs/dbraw/zinc/34/87/61/503348761.db2.gz KXQPNADFHBODDS-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511585472 503348766 /nfs/dbraw/zinc/34/87/66/503348766.db2.gz KXQPNADFHBODDS-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000499200489 503354200 /nfs/dbraw/zinc/35/42/00/503354200.db2.gz BZGIWVHVSMOXHS-ZVDOUQERSA-N 2 1 374.573 3.263 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492510952 503372821 /nfs/dbraw/zinc/37/28/21/503372821.db2.gz AHVKGALECDPWCJ-DYESRHJHSA-N 2 1 352.478 3.473 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499328605 503381301 /nfs/dbraw/zinc/38/13/01/503381301.db2.gz LSACKXNFURIPLO-UZLBHIALSA-N 2 1 369.513 3.415 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000499328605 503381303 /nfs/dbraw/zinc/38/13/03/503381303.db2.gz LSACKXNFURIPLO-UZLBHIALSA-N 2 1 369.513 3.415 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000503423261 503406439 /nfs/dbraw/zinc/40/64/39/503406439.db2.gz SETKEYZUSFJVOB-LJQANCHMSA-N 2 1 361.505 3.030 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccccc1Cl ZINC000493233839 503414614 /nfs/dbraw/zinc/41/46/14/503414614.db2.gz FFBKBTLUSWVEQZ-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000511920602 503415935 /nfs/dbraw/zinc/41/59/35/503415935.db2.gz XXIHFGMMXJTLLN-QRVBRYPASA-N 2 1 369.553 3.297 20 0 FGADMP C[C@@H](c1ccccc1F)N1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000515879640 503416430 /nfs/dbraw/zinc/41/64/30/503416430.db2.gz CCXDISOPEOOPNH-HRAATJIYSA-N 2 1 373.516 3.342 20 0 FGADMP C[C@@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000515879643 503416534 /nfs/dbraw/zinc/41/65/34/503416534.db2.gz CCXDISOPEOOPNH-KKSFZXQISA-N 2 1 373.516 3.342 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000499510602 503421997 /nfs/dbraw/zinc/42/19/97/503421997.db2.gz WXIMCVCZFYXRBJ-OAHLLOKOSA-N 2 1 372.340 3.482 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516048191 503436800 /nfs/dbraw/zinc/43/68/00/503436800.db2.gz FKRWVTCGNKCWFW-SJORKVTESA-N 2 1 354.922 3.324 20 0 FGADMP C[C@@H](C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000493824669 503447873 /nfs/dbraw/zinc/44/78/73/503447873.db2.gz TYQNOLKDQKVPHL-MOPGFXCFSA-N 2 1 353.510 3.131 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695284 503459599 /nfs/dbraw/zinc/45/95/99/503459599.db2.gz RPZHFHZKXYJJOK-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695284 503459601 /nfs/dbraw/zinc/45/96/01/503459601.db2.gz RPZHFHZKXYJJOK-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695284 503459608 /nfs/dbraw/zinc/45/96/08/503459608.db2.gz RPZHFHZKXYJJOK-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000508256263 503464248 /nfs/dbraw/zinc/46/42/48/503464248.db2.gz HAVBASKCAYAIEQ-VVMUCNELSA-N 2 1 371.569 3.338 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000508256263 503464254 /nfs/dbraw/zinc/46/42/54/503464254.db2.gz HAVBASKCAYAIEQ-VVMUCNELSA-N 2 1 371.569 3.338 20 0 FGADMP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494068577 503482464 /nfs/dbraw/zinc/48/24/64/503482464.db2.gz IPQMOTRXIDFPPZ-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CN(CC)Cc2ccccc2Cl)C1 ZINC000499852062 503494725 /nfs/dbraw/zinc/49/47/25/503494725.db2.gz ZLDZNTAHWMNYKD-QGZVFWFLSA-N 2 1 365.949 3.352 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512247388 503497709 /nfs/dbraw/zinc/49/77/09/503497709.db2.gz YPKBKVVUYOMAFX-QFBILLFUSA-N 2 1 365.477 3.132 20 0 FGADMP C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCC[NH+](C)C1 ZINC000508534918 503515098 /nfs/dbraw/zinc/51/50/98/503515098.db2.gz QLUAJMXPTZXQEK-CQSZACIVSA-N 2 1 365.315 3.499 20 0 FGADMP C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCC[NH+](C)C1 ZINC000508534918 503515102 /nfs/dbraw/zinc/51/51/02/503515102.db2.gz QLUAJMXPTZXQEK-CQSZACIVSA-N 2 1 365.315 3.499 20 0 FGADMP C[NH+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000508534918 503515108 /nfs/dbraw/zinc/51/51/08/503515108.db2.gz QLUAJMXPTZXQEK-CQSZACIVSA-N 2 1 365.315 3.499 20 0 FGADMP C[NH+](CC1=Cc2cc(Br)ccc2OC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000508534918 503515111 /nfs/dbraw/zinc/51/51/11/503515111.db2.gz QLUAJMXPTZXQEK-CQSZACIVSA-N 2 1 365.315 3.499 20 0 FGADMP CC(C)Cc1cccc([C@H](C)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000512314777 503516814 /nfs/dbraw/zinc/51/68/14/503516814.db2.gz PEIHXUZIJVSOBE-IBGZPJMESA-N 2 1 373.585 3.473 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512407566 503539875 /nfs/dbraw/zinc/53/98/75/503539875.db2.gz WMVPTGWQBPVRNQ-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505070 503553465 /nfs/dbraw/zinc/55/34/65/503553465.db2.gz JFBUONQDZYIWRO-DEICHXMPSA-N 2 1 366.347 3.346 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@H]1C ZINC000500103644 503554851 /nfs/dbraw/zinc/55/48/51/503554851.db2.gz KNUBNJLGMXTZEV-RTBURBONSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000500102737 503554931 /nfs/dbraw/zinc/55/49/31/503554931.db2.gz FSVVDRBVNAJEMV-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000500130014 503561666 /nfs/dbraw/zinc/56/16/66/503561666.db2.gz BTKJDEUMQJCOON-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000494604674 503573348 /nfs/dbraw/zinc/57/33/48/503573348.db2.gz YPUWKAVCJAKJLF-QWFCFKBJSA-N 2 1 360.546 3.017 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000512614151 503595921 /nfs/dbraw/zinc/59/59/21/503595921.db2.gz UYHJVGNOFFZHKM-PCCBWWKXSA-N 2 1 351.494 3.481 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000516967476 503633909 /nfs/dbraw/zinc/63/39/09/503633909.db2.gz ONXNEAPBLPVPKP-RTWAWAEBSA-N 2 1 351.494 3.257 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(OC(C)(C)C)n3)CC2)CC1 ZINC000509082251 503637387 /nfs/dbraw/zinc/63/73/87/503637387.db2.gz VRKMYFZYUDWOOP-UHFFFAOYSA-N 2 1 374.573 3.249 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000500541730 503644428 /nfs/dbraw/zinc/64/44/28/503644428.db2.gz WVFDZNWWCUSRTA-LEWJYISDSA-N 2 1 372.557 3.339 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054898 503655266 /nfs/dbraw/zinc/65/52/66/503655266.db2.gz CYZPQKBAQRPEJT-HOTGVXAUSA-N 2 1 357.420 3.428 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054898 503655269 /nfs/dbraw/zinc/65/52/69/503655269.db2.gz CYZPQKBAQRPEJT-HOTGVXAUSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054898 503655270 /nfs/dbraw/zinc/65/52/70/503655270.db2.gz CYZPQKBAQRPEJT-HOTGVXAUSA-N 2 1 357.420 3.428 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1 ZINC000540054898 503655271 /nfs/dbraw/zinc/65/52/71/503655271.db2.gz CYZPQKBAQRPEJT-HOTGVXAUSA-N 2 1 357.420 3.428 20 0 FGADMP Cc1cccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920795 503657306 /nfs/dbraw/zinc/65/73/06/503657306.db2.gz XCFPFKZFXHOGRJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920795 503657312 /nfs/dbraw/zinc/65/73/12/503657312.db2.gz XCFPFKZFXHOGRJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532920795 503657320 /nfs/dbraw/zinc/65/73/20/503657320.db2.gz XCFPFKZFXHOGRJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000532920795 503657327 /nfs/dbraw/zinc/65/73/27/503657327.db2.gz XCFPFKZFXHOGRJ-SIKLNZKXSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202774 503671317 /nfs/dbraw/zinc/67/13/17/503671317.db2.gz XPENNMCTDSGCLE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202774 503671327 /nfs/dbraw/zinc/67/13/27/503671327.db2.gz XPENNMCTDSGCLE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202774 503671335 /nfs/dbraw/zinc/67/13/35/503671335.db2.gz XPENNMCTDSGCLE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202774 503671343 /nfs/dbraw/zinc/67/13/43/503671343.db2.gz XPENNMCTDSGCLE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742783 503706632 /nfs/dbraw/zinc/70/66/32/503706632.db2.gz ZOBNGNJRFSSLLX-VQIMIIECSA-N 2 1 361.555 3.437 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](CC2CC2)C(C)C)CC1 ZINC000533035402 503708830 /nfs/dbraw/zinc/70/88/30/503708830.db2.gz XUAYLSFVKBXMTP-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](CC2CC2)C(C)C)CC1 ZINC000533035402 503708837 /nfs/dbraw/zinc/70/88/37/503708837.db2.gz XUAYLSFVKBXMTP-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CC2CC2)C(C)C)CC1 ZINC000533035402 503708844 /nfs/dbraw/zinc/70/88/44/503708844.db2.gz XUAYLSFVKBXMTP-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540301809 503732776 /nfs/dbraw/zinc/73/27/76/503732776.db2.gz JXDBZWNHGJZLDD-HXUWFJFHSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415818 503761168 /nfs/dbraw/zinc/76/11/68/503761168.db2.gz CINLHPUZXTXTJT-WBMJQRKESA-N 2 1 350.304 3.403 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543706 503766406 /nfs/dbraw/zinc/76/64/06/503766406.db2.gz ZLBUZDUJYAIFEF-YLJYHZDGSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589953 503780106 /nfs/dbraw/zinc/78/01/06/503780106.db2.gz XESIMMARDGEAOW-DOTOQJQBSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@H](CC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543478266 503788277 /nfs/dbraw/zinc/78/82/77/503788277.db2.gz OMIJRRHNRVCPSG-LCWAXJCOSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543478266 503788282 /nfs/dbraw/zinc/78/82/82/503788282.db2.gz OMIJRRHNRVCPSG-LCWAXJCOSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000543478266 503788286 /nfs/dbraw/zinc/78/82/86/503788286.db2.gz OMIJRRHNRVCPSG-LCWAXJCOSA-N 2 1 368.606 3.223 20 0 FGADMP Cc1ccc(S[C@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000517653910 503799048 /nfs/dbraw/zinc/79/90/48/503799048.db2.gz ZKFMQFQUODTJFR-MRXNPFEDSA-N 2 1 370.522 3.261 20 0 FGADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517667750 503802101 /nfs/dbraw/zinc/80/21/01/503802101.db2.gz FXSNFIABTXKZPO-IBGZPJMESA-N 2 1 359.558 3.176 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000530032460 503806167 /nfs/dbraw/zinc/80/61/67/503806167.db2.gz ICGYYVKJVQUFIT-JDFRZJQESA-N 2 1 372.340 3.443 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118638 503808304 /nfs/dbraw/zinc/80/83/04/503808304.db2.gz WNEFAFNNWRLOPJ-CTNGQTDRSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118638 503808307 /nfs/dbraw/zinc/80/83/07/503808307.db2.gz WNEFAFNNWRLOPJ-CTNGQTDRSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118638 503808314 /nfs/dbraw/zinc/80/83/14/503808314.db2.gz WNEFAFNNWRLOPJ-CTNGQTDRSA-N 2 1 373.541 3.356 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543639318 503837550 /nfs/dbraw/zinc/83/75/50/503837550.db2.gz DAZWXDFXMVXVQX-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000543702297 503857412 /nfs/dbraw/zinc/85/74/12/503857412.db2.gz VSZFYOJMDIZJQP-AEFFLSMTSA-N 2 1 362.518 3.312 20 0 FGADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000533533166 503878984 /nfs/dbraw/zinc/87/89/84/503878984.db2.gz YHSGTBPJJBUTBN-UHFFFAOYSA-N 2 1 357.473 3.088 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000527658182 503880254 /nfs/dbraw/zinc/88/02/54/503880254.db2.gz FRXTWRUJSKRWTD-OAQYLSRUSA-N 2 1 370.541 3.099 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000518031228 503893698 /nfs/dbraw/zinc/89/36/98/503893698.db2.gz YRTXGSKCOQNHMQ-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000518031228 503893702 /nfs/dbraw/zinc/89/37/02/503893702.db2.gz YRTXGSKCOQNHMQ-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000518103854 503909222 /nfs/dbraw/zinc/90/92/22/503909222.db2.gz KEMANTDYLSDBMW-QZTJIDSGSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)CC[N@@H+]1Cc1ccccc1 ZINC000527806536 503953651 /nfs/dbraw/zinc/95/36/51/503953651.db2.gz JHUJQFQYIMRUEW-LZNRXBQRSA-N 2 1 363.505 3.456 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)CC[N@H+]1Cc1ccccc1 ZINC000527806536 503953655 /nfs/dbraw/zinc/95/36/55/503953655.db2.gz JHUJQFQYIMRUEW-LZNRXBQRSA-N 2 1 363.505 3.456 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000518360771 503962494 /nfs/dbraw/zinc/96/24/94/503962494.db2.gz FWKIAMCHOTUKFC-RXVVDRJESA-N 2 1 366.594 3.259 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829893 503963412 /nfs/dbraw/zinc/96/34/12/503963412.db2.gz CCOUEXUAHVOLJL-PCCBWWKXSA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829893 503963419 /nfs/dbraw/zinc/96/34/19/503963419.db2.gz CCOUEXUAHVOLJL-PCCBWWKXSA-N 2 1 370.541 3.138 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@H]1c1ccccc1 ZINC000527829893 503963425 /nfs/dbraw/zinc/96/34/25/503963425.db2.gz CCOUEXUAHVOLJL-PCCBWWKXSA-N 2 1 370.541 3.138 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC(C)(C)C1 ZINC000540997880 503969462 /nfs/dbraw/zinc/96/94/62/503969462.db2.gz GTUALRVIDQWOCA-IBGZPJMESA-N 2 1 363.590 3.467 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000537617292 503976690 /nfs/dbraw/zinc/97/66/90/503976690.db2.gz AQESRLYSAIIXCX-NVXWUHKLSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@H](C)C2)cc1OC ZINC000537617292 503976695 /nfs/dbraw/zinc/97/66/95/503976695.db2.gz AQESRLYSAIIXCX-NVXWUHKLSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)cc1OC ZINC000537617292 503976701 /nfs/dbraw/zinc/97/67/01/503976701.db2.gz AQESRLYSAIIXCX-NVXWUHKLSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cc1OC ZINC000537617292 503976706 /nfs/dbraw/zinc/97/67/06/503976706.db2.gz AQESRLYSAIIXCX-NVXWUHKLSA-N 2 1 350.503 3.407 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000518460444 503991796 /nfs/dbraw/zinc/99/17/96/503991796.db2.gz DIXSORFAXOJXJX-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000518460444 503991798 /nfs/dbraw/zinc/99/17/98/503991798.db2.gz DIXSORFAXOJXJX-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000518460444 503991800 /nfs/dbraw/zinc/99/18/00/503991800.db2.gz DIXSORFAXOJXJX-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697863 504009848 /nfs/dbraw/zinc/00/98/48/504009848.db2.gz PGDXGEXOVUWRTE-AZUAARDMSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1OC ZINC000537697863 504009856 /nfs/dbraw/zinc/00/98/56/504009856.db2.gz PGDXGEXOVUWRTE-AZUAARDMSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1OC ZINC000537697863 504009862 /nfs/dbraw/zinc/00/98/62/504009862.db2.gz PGDXGEXOVUWRTE-AZUAARDMSA-N 2 1 374.525 3.169 20 0 FGADMP COCCOc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1OC ZINC000537697863 504009869 /nfs/dbraw/zinc/00/98/69/504009869.db2.gz PGDXGEXOVUWRTE-AZUAARDMSA-N 2 1 374.525 3.169 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000541120851 504016266 /nfs/dbraw/zinc/01/62/66/504016266.db2.gz RGNRQKPRRKDLMR-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000541160017 504026382 /nfs/dbraw/zinc/02/63/82/504026382.db2.gz OKHSYTGYYZKDAE-IBGZPJMESA-N 2 1 366.594 3.262 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(-c3ccoc3)c2)CC1 ZINC000534085671 504036359 /nfs/dbraw/zinc/03/63/59/504036359.db2.gz PUUKAONAHQTCBD-UHFFFAOYSA-N 2 1 362.433 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000528008709 504038183 /nfs/dbraw/zinc/03/81/83/504038183.db2.gz XAKAXRMFHXAZAM-YHYVQYDKSA-N 2 1 363.505 3.314 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(=O)N1CCCC1 ZINC000528016722 504041730 /nfs/dbraw/zinc/04/17/30/504041730.db2.gz UTXADYRAPZVRMQ-PCCBWWKXSA-N 2 1 369.553 3.135 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000534307815 504103551 /nfs/dbraw/zinc/10/35/51/504103551.db2.gz VFIYWMFWFXKJFG-UHFFFAOYSA-N 2 1 369.937 3.314 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(OC)c(Cl)c2)CC1 ZINC000534307815 504103556 /nfs/dbraw/zinc/10/35/56/504103556.db2.gz VFIYWMFWFXKJFG-UHFFFAOYSA-N 2 1 369.937 3.314 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000537991730 504104582 /nfs/dbraw/zinc/10/45/82/504104582.db2.gz SUDZQKHCVFZFJR-APWZRJJASA-N 2 1 354.922 3.445 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](CC)CC(C)C)CC1 ZINC000538034233 504119475 /nfs/dbraw/zinc/11/94/75/504119475.db2.gz BWKIHLZTRQSRTB-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000538034233 504119481 /nfs/dbraw/zinc/11/94/81/504119481.db2.gz BWKIHLZTRQSRTB-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000538034233 504119488 /nfs/dbraw/zinc/11/94/88/504119488.db2.gz BWKIHLZTRQSRTB-HXUWFJFHSA-N 2 1 351.579 3.467 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895673 504122701 /nfs/dbraw/zinc/12/27/01/504122701.db2.gz YDGJEOJSSGZOKO-HXUWFJFHSA-N 2 1 357.473 3.067 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895673 504122707 /nfs/dbraw/zinc/12/27/07/504122707.db2.gz YDGJEOJSSGZOKO-HXUWFJFHSA-N 2 1 357.473 3.067 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895673 504122713 /nfs/dbraw/zinc/12/27/13/504122713.db2.gz YDGJEOJSSGZOKO-HXUWFJFHSA-N 2 1 357.473 3.067 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541436125 504129341 /nfs/dbraw/zinc/12/93/41/504129341.db2.gz ODWCBUKTZLJQKM-SFHVURJKSA-N 2 1 358.530 3.047 20 0 FGADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411775 504134235 /nfs/dbraw/zinc/13/42/35/504134235.db2.gz QGGNJDPWYPODMW-YADHBBJMSA-N 2 1 369.553 3.089 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000544439469 504135202 /nfs/dbraw/zinc/13/52/02/504135202.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@H](C[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439469 504135204 /nfs/dbraw/zinc/13/52/04/504135204.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 2 1 368.606 3.080 20 0 FGADMP C[C@H](C[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439469 504135205 /nfs/dbraw/zinc/13/52/05/504135205.db2.gz ZJQADBUISRYAGV-FSGKZVOOSA-N 2 1 368.606 3.080 20 0 FGADMP FC(F)(F)c1ncccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528399526 504207650 /nfs/dbraw/zinc/20/76/50/504207650.db2.gz ZCOGZDWHYNGUQS-UHFFFAOYSA-N 2 1 357.420 3.177 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191189 504221318 /nfs/dbraw/zinc/22/13/18/504221318.db2.gz DGXZTBQTHSRZQY-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191189 504221323 /nfs/dbraw/zinc/22/13/23/504221323.db2.gz DGXZTBQTHSRZQY-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531191189 504221329 /nfs/dbraw/zinc/22/13/29/504221329.db2.gz DGXZTBQTHSRZQY-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000544706247 504228002 /nfs/dbraw/zinc/22/80/02/504228002.db2.gz NRTQIKSVFMZDKB-SJLPKXTDSA-N 2 1 368.477 3.424 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000544706247 504228003 /nfs/dbraw/zinc/22/80/03/504228003.db2.gz NRTQIKSVFMZDKB-SJLPKXTDSA-N 2 1 368.477 3.424 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799263 504258025 /nfs/dbraw/zinc/25/80/25/504258025.db2.gz TYRPQQWCWVWMSW-GCJKJVERSA-N 2 1 365.521 3.105 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000531343533 504273503 /nfs/dbraw/zinc/27/35/03/504273503.db2.gz CWLVZQFWLJCOMA-HNNXBMFYSA-N 2 1 354.878 3.001 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000531343533 504273506 /nfs/dbraw/zinc/27/35/06/504273506.db2.gz CWLVZQFWLJCOMA-HNNXBMFYSA-N 2 1 354.878 3.001 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000531345416 504273648 /nfs/dbraw/zinc/27/36/48/504273648.db2.gz ZYVNQQDRLWMXHQ-UHFFFAOYSA-N 2 1 364.578 3.299 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531347406 504274966 /nfs/dbraw/zinc/27/49/66/504274966.db2.gz SLDYUVFLOBEBRX-FQEVSTJZSA-N 2 1 361.530 3.465 20 0 FGADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000519644095 504286304 /nfs/dbraw/zinc/28/63/04/504286304.db2.gz LPRDBUFQZMJGKS-SJKOYZFVSA-N 2 1 370.324 3.072 20 0 FGADMP C(CC[N@H+]1CCC[C@@H]([C@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011617 504312819 /nfs/dbraw/zinc/31/28/19/504312819.db2.gz DUBVYFKQFANYMU-ZDNVTZCJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000535011617 504312826 /nfs/dbraw/zinc/31/28/26/504312826.db2.gz DUBVYFKQFANYMU-ZDNVTZCJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000535011617 504312834 /nfs/dbraw/zinc/31/28/34/504312834.db2.gz DUBVYFKQFANYMU-ZDNVTZCJSA-N 2 1 364.574 3.264 20 0 FGADMP CC[NH+]1CCN(c2ccccc2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548065767 504316834 /nfs/dbraw/zinc/31/68/34/504316834.db2.gz UUUQOIYVCPIBHI-UHFFFAOYSA-N 2 1 372.557 3.422 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)NC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000528665798 504321511 /nfs/dbraw/zinc/32/15/11/504321511.db2.gz VNJFLBXWVFMZNV-UHFFFAOYSA-N 2 1 374.529 3.081 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000531552385 504343965 /nfs/dbraw/zinc/34/39/65/504343965.db2.gz NSPWYEPWCFOAFX-QEEYODRMSA-N 2 1 367.497 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000531552385 504343971 /nfs/dbraw/zinc/34/39/71/504343971.db2.gz NSPWYEPWCFOAFX-QEEYODRMSA-N 2 1 367.497 3.024 20 0 FGADMP CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824376 504353670 /nfs/dbraw/zinc/35/36/70/504353670.db2.gz HMODKPIYKSBHSX-DKSSEZFCSA-N 2 1 367.896 3.120 20 0 FGADMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799708 504376274 /nfs/dbraw/zinc/37/62/74/504376274.db2.gz SGLWFMDNCQAKDE-WIYYLYMNSA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538799708 504376276 /nfs/dbraw/zinc/37/62/76/504376276.db2.gz SGLWFMDNCQAKDE-WIYYLYMNSA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000538799708 504376279 /nfs/dbraw/zinc/37/62/79/504376279.db2.gz SGLWFMDNCQAKDE-WIYYLYMNSA-N 2 1 372.509 3.077 20 0 FGADMP CN(CCCn1ccnc1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528848972 504413571 /nfs/dbraw/zinc/41/35/71/504413571.db2.gz FQSQHHMFFZAXPP-SFHVURJKSA-N 2 1 360.889 3.050 20 0 FGADMP Cc1ccncc1[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000538985335 504439845 /nfs/dbraw/zinc/43/98/45/504439845.db2.gz GQEUCKGRGZRWCE-UGKGYDQZSA-N 2 1 352.526 3.419 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456605 /nfs/dbraw/zinc/45/66/05/504456605.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456607 /nfs/dbraw/zinc/45/66/07/504456607.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456609 /nfs/dbraw/zinc/45/66/09/504456609.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456610 /nfs/dbraw/zinc/45/66/10/504456610.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456612 /nfs/dbraw/zinc/45/66/12/504456612.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456614 /nfs/dbraw/zinc/45/66/14/504456614.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H](C)C1 ZINC000539046014 504456616 /nfs/dbraw/zinc/45/66/16/504456616.db2.gz GBUOFRLCRJIRDS-HKBOAZHASA-N 3 1 353.595 3.081 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482830 504461349 /nfs/dbraw/zinc/46/13/49/504461349.db2.gz GSTJVHNZHAEWDF-KNQAVFIVSA-N 2 1 365.521 3.225 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346879 504473207 /nfs/dbraw/zinc/47/32/07/504473207.db2.gz FSLWHKPDVWRCNT-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520346879 504473210 /nfs/dbraw/zinc/47/32/10/504473210.db2.gz FSLWHKPDVWRCNT-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520346879 504473213 /nfs/dbraw/zinc/47/32/13/504473213.db2.gz FSLWHKPDVWRCNT-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000528971781 504475477 /nfs/dbraw/zinc/47/54/77/504475477.db2.gz SHXCLFUYHCKMMY-LJQANCHMSA-N 2 1 374.529 3.156 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996423 504487734 /nfs/dbraw/zinc/48/77/34/504487734.db2.gz OVXWYMQXHUGRKO-BEFAXECRSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996423 504487740 /nfs/dbraw/zinc/48/77/40/504487740.db2.gz OVXWYMQXHUGRKO-BEFAXECRSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000528996423 504487745 /nfs/dbraw/zinc/48/77/45/504487745.db2.gz OVXWYMQXHUGRKO-BEFAXECRSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000528996423 504487748 /nfs/dbraw/zinc/48/77/48/504487748.db2.gz OVXWYMQXHUGRKO-BEFAXECRSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980121 504493011 /nfs/dbraw/zinc/49/30/11/504493011.db2.gz QBXCHHFJUAFAPR-VYDXJSESSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980121 504493015 /nfs/dbraw/zinc/49/30/15/504493015.db2.gz QBXCHHFJUAFAPR-VYDXJSESSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)Cc1ccccc1 ZINC000542516773 504522440 /nfs/dbraw/zinc/52/24/40/504522440.db2.gz GSXHLCZMMRXNBR-WWPVKYPJSA-N 2 1 352.522 3.338 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)Cc1ccccc1 ZINC000542516773 504522445 /nfs/dbraw/zinc/52/24/45/504522445.db2.gz GSXHLCZMMRXNBR-WWPVKYPJSA-N 2 1 352.522 3.338 20 0 FGADMP C[N@@H+](CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CCCC1 ZINC000520617948 504541958 /nfs/dbraw/zinc/54/19/58/504541958.db2.gz MVJMELGZFZHUHG-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[NH+](CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CCCC1 ZINC000520617948 504541962 /nfs/dbraw/zinc/54/19/62/504541962.db2.gz MVJMELGZFZHUHG-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[NH+](CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CCCC1 ZINC000520617948 504541967 /nfs/dbraw/zinc/54/19/67/504541967.db2.gz MVJMELGZFZHUHG-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C12CCC[NH+]1CCC2 ZINC000548738775 504546876 /nfs/dbraw/zinc/54/68/76/504546876.db2.gz OSNOFTIVAWPNAQ-SFHVURJKSA-N 2 1 361.917 3.222 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000535806505 504551124 /nfs/dbraw/zinc/55/11/24/504551124.db2.gz ZFNVYJWRSMYMHQ-UNMCSNQZSA-N 2 1 371.569 3.467 20 0 FGADMP CS(=O)(=O)c1ccc(CN2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)cc1 ZINC000548791901 504568783 /nfs/dbraw/zinc/56/87/83/504568783.db2.gz UBBWQZJBYWOOHY-KRWDZBQOSA-N 2 1 373.522 3.003 20 0 FGADMP COc1ccsc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000532212343 504573977 /nfs/dbraw/zinc/57/39/77/504573977.db2.gz CPIXLEHWOZHUPI-UHFFFAOYSA-N 2 1 373.566 3.444 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000535900271 504577042 /nfs/dbraw/zinc/57/70/42/504577042.db2.gz LTWBAARQAMUDRU-HKUYNNGSSA-N 2 1 363.933 3.133 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000520797691 504584073 /nfs/dbraw/zinc/58/40/73/504584073.db2.gz IXAGRNYDHYXIPW-QZTJIDSGSA-N 2 1 368.949 3.490 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000520794946 504584292 /nfs/dbraw/zinc/58/42/92/504584292.db2.gz MGRWWJARXIMDHM-GBESFXJTSA-N 2 1 351.579 3.323 20 0 FGADMP Cn1cc(C[N@H+](CCCc2c[nH+]cn2C)Cc2ccc(Cl)cc2)cn1 ZINC000520833143 504592902 /nfs/dbraw/zinc/59/29/02/504592902.db2.gz MFNJTWFXGGTAJX-UHFFFAOYSA-N 2 1 357.889 3.442 20 0 FGADMP Cn1cc(C[N@@H+](CCCc2c[nH+]cn2C)Cc2ccc(Cl)cc2)cn1 ZINC000520833143 504592907 /nfs/dbraw/zinc/59/29/07/504592907.db2.gz MFNJTWFXGGTAJX-UHFFFAOYSA-N 2 1 357.889 3.442 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2)[C@H](c2ccccc2)C1 ZINC000520951866 504615306 /nfs/dbraw/zinc/61/53/06/504615306.db2.gz QGYUVUXQTVIFKJ-NRFANRHFSA-N 2 1 359.464 3.433 20 0 FGADMP C[C@@H]1[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000521001354 504626972 /nfs/dbraw/zinc/62/69/72/504626972.db2.gz QZOBISWQMAIEOO-IIBYNOLFSA-N 2 1 364.493 3.117 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000521073401 504643850 /nfs/dbraw/zinc/64/38/50/504643850.db2.gz SADRSVAJDLDELV-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000521589367 504761440 /nfs/dbraw/zinc/76/14/40/504761440.db2.gz YUVXGPCPCCZGIB-RTBURBONSA-N 2 1 357.542 3.007 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556076510 504791359 /nfs/dbraw/zinc/79/13/59/504791359.db2.gz OJKPTUJSGQTLDG-TZIWHRDSSA-N 2 1 359.558 3.301 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000553059848 504816999 /nfs/dbraw/zinc/81/69/99/504816999.db2.gz SZCMNUVJJXYNPN-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP CCc1cc(O)ccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565192767 504822055 /nfs/dbraw/zinc/82/20/55/504822055.db2.gz ZJWRNHPQHACPPA-UHFFFAOYSA-N 2 1 359.514 3.089 20 0 FGADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1csc2c1cccc2Br ZINC000565238851 504832139 /nfs/dbraw/zinc/83/21/39/504832139.db2.gz SNMNJOMUWFNPCH-OAHLLOKOSA-N 2 1 357.317 3.066 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326421 504884731 /nfs/dbraw/zinc/88/47/31/504884731.db2.gz DHGNYUBCWPDWTC-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553326421 504884735 /nfs/dbraw/zinc/88/47/35/504884735.db2.gz DHGNYUBCWPDWTC-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553326421 504884740 /nfs/dbraw/zinc/88/47/40/504884740.db2.gz DHGNYUBCWPDWTC-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP Cn1ccnc1CN1CCC[C@H]([NH2+]Cc2cc(Cl)sc2Cl)C1=O ZINC000562654464 504896177 /nfs/dbraw/zinc/89/61/77/504896177.db2.gz OPLWJBQZOHKMQA-NSHDSACASA-N 2 1 373.309 3.069 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536210 504915903 /nfs/dbraw/zinc/91/59/03/504915903.db2.gz YCQXNADRLBJLEZ-WIYYLYMNSA-N 2 1 356.510 3.290 20 0 FGADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448645 504917808 /nfs/dbraw/zinc/91/78/08/504917808.db2.gz JADDPRZASXKQJB-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861089 504919804 /nfs/dbraw/zinc/91/98/04/504919804.db2.gz XVDZJTRVHIIYFM-RBBKRZOGSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861089 504919805 /nfs/dbraw/zinc/91/98/05/504919805.db2.gz XVDZJTRVHIIYFM-RBBKRZOGSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861089 504919811 /nfs/dbraw/zinc/91/98/11/504919811.db2.gz XVDZJTRVHIIYFM-RBBKRZOGSA-N 2 1 356.485 3.183 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921372 /nfs/dbraw/zinc/92/13/72/504921372.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 2 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921373 /nfs/dbraw/zinc/92/13/73/504921373.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921374 /nfs/dbraw/zinc/92/13/74/504921374.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921375 /nfs/dbraw/zinc/92/13/75/504921375.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742853 504921376 /nfs/dbraw/zinc/92/13/76/504921376.db2.gz GQLYLJCLAMNTAR-NPDDRXJXSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000562867025 504970246 /nfs/dbraw/zinc/97/02/46/504970246.db2.gz QGXFPOCGTDKNRH-UIFIKXQLSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000562867025 504970250 /nfs/dbraw/zinc/97/02/50/504970250.db2.gz QGXFPOCGTDKNRH-UIFIKXQLSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262723 505005429 /nfs/dbraw/zinc/00/54/29/505005429.db2.gz PJDAQYZMUNIPAX-HMXCVIKNSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000553780956 505007046 /nfs/dbraw/zinc/00/70/46/505007046.db2.gz DEOCVHBCQVMAAU-KCLUMXDGSA-N 2 1 357.542 3.136 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](c2ccccc2)C1 ZINC000553782445 505008093 /nfs/dbraw/zinc/00/80/93/505008093.db2.gz XFMAFNCAFWHTGC-RCZSKKKRSA-N 2 1 371.569 3.491 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000562988514 505011957 /nfs/dbraw/zinc/01/19/57/505011957.db2.gz PDQHHJWFAINPHD-MSOLQXFVSA-N 2 1 359.514 3.152 20 0 FGADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[C@@H](C)C1 ZINC000556950634 505028165 /nfs/dbraw/zinc/02/81/65/505028165.db2.gz IGMPVIVVEHMZHQ-UYAOXDASSA-N 2 1 359.562 3.409 20 0 FGADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[C@@H](C)C1 ZINC000556950634 505028166 /nfs/dbraw/zinc/02/81/66/505028166.db2.gz IGMPVIVVEHMZHQ-UYAOXDASSA-N 2 1 359.562 3.409 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246132 505028247 /nfs/dbraw/zinc/02/82/47/505028247.db2.gz MNLIJNKKWFKDKN-LEWJYISDSA-N 2 1 359.558 3.096 20 0 FGADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCC[C@@H](C)C1 ZINC000556950633 505028575 /nfs/dbraw/zinc/02/85/75/505028575.db2.gz IGMPVIVVEHMZHQ-QUCCMNQESA-N 2 1 359.562 3.409 20 0 FGADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCC[C@@H](C)C1 ZINC000556950633 505028579 /nfs/dbraw/zinc/02/85/79/505028579.db2.gz IGMPVIVVEHMZHQ-QUCCMNQESA-N 2 1 359.562 3.409 20 0 FGADMP COCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563121785 505053788 /nfs/dbraw/zinc/05/37/88/505053788.db2.gz FRBHXKFZLSSGLE-FQEVSTJZSA-N 2 1 358.526 3.216 20 0 FGADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563121785 505053791 /nfs/dbraw/zinc/05/37/91/505053791.db2.gz FRBHXKFZLSSGLE-FQEVSTJZSA-N 2 1 358.526 3.216 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000563150461 505060742 /nfs/dbraw/zinc/06/07/42/505060742.db2.gz UJJUABHBMFBTAX-CYBMUJFWSA-N 2 1 356.297 3.253 20 0 FGADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629882 505076283 /nfs/dbraw/zinc/07/62/83/505076283.db2.gz XCXAPYNCWOGTOR-DZFGPLHGSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(C)[C@@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629882 505076289 /nfs/dbraw/zinc/07/62/89/505076289.db2.gz XCXAPYNCWOGTOR-DZFGPLHGSA-N 2 1 351.494 3.116 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)cs1 ZINC000563214805 505078267 /nfs/dbraw/zinc/07/82/67/505078267.db2.gz AGVPQWGTHLUPLX-SZMVWBNQSA-N 2 1 370.522 3.116 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2)cs1 ZINC000563214805 505078269 /nfs/dbraw/zinc/07/82/69/505078269.db2.gz AGVPQWGTHLUPLX-SZMVWBNQSA-N 2 1 370.522 3.116 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128613 505099990 /nfs/dbraw/zinc/09/99/90/505099990.db2.gz OYHXXIJSBCIVBQ-LGGPRVQUSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128613 505099994 /nfs/dbraw/zinc/09/99/94/505099994.db2.gz OYHXXIJSBCIVBQ-LGGPRVQUSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128613 505099997 /nfs/dbraw/zinc/09/99/97/505099997.db2.gz OYHXXIJSBCIVBQ-LGGPRVQUSA-N 2 1 369.553 3.230 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCc1ccc(C)nc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000566230482 505118585 /nfs/dbraw/zinc/11/85/85/505118585.db2.gz FBYQCSJXRRFIAC-HXUWFJFHSA-N 2 1 367.541 3.183 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@H]21 ZINC000566244228 505121619 /nfs/dbraw/zinc/12/16/19/505121619.db2.gz DYTULJOCZOVBKE-NXLVEIQXSA-N 2 1 355.526 3.093 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@H]21 ZINC000566244228 505121623 /nfs/dbraw/zinc/12/16/23/505121623.db2.gz DYTULJOCZOVBKE-NXLVEIQXSA-N 2 1 355.526 3.093 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000563375605 505126061 /nfs/dbraw/zinc/12/60/61/505126061.db2.gz DRJWEKUXZDOGFR-OXQOHEQNSA-N 2 1 373.541 3.216 20 0 FGADMP O[C@H](C[NH2+]Cc1csc2c1cccc2Br)C[NH+]1CCCC1 ZINC000563439289 505141413 /nfs/dbraw/zinc/14/14/13/505141413.db2.gz LACZPZSMDXGCOB-CYBMUJFWSA-N 2 1 369.328 3.210 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465843 505141980 /nfs/dbraw/zinc/14/19/80/505141980.db2.gz SFULQYJXVMCYHY-VXKWHMMOSA-N 2 1 363.505 3.024 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465843 505141983 /nfs/dbraw/zinc/14/19/83/505141983.db2.gz SFULQYJXVMCYHY-VXKWHMMOSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465843 505141988 /nfs/dbraw/zinc/14/19/88/505141988.db2.gz SFULQYJXVMCYHY-VXKWHMMOSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000557465843 505141992 /nfs/dbraw/zinc/14/19/92/505141992.db2.gz SFULQYJXVMCYHY-VXKWHMMOSA-N 2 1 363.505 3.024 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@H](C)O1 ZINC000554318316 505143645 /nfs/dbraw/zinc/14/36/45/505143645.db2.gz XHVTZGIOXJVOJY-HOTGVXAUSA-N 2 1 351.922 3.446 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000557525405 505156480 /nfs/dbraw/zinc/15/64/80/505156480.db2.gz LTPKLQHOHCWXDL-MRXNPFEDSA-N 2 1 352.592 3.289 20 0 FGADMP Cc1nsc(C)c1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000566415133 505169530 /nfs/dbraw/zinc/16/95/30/505169530.db2.gz XHOAKHLBOLLMBA-UHFFFAOYSA-N 2 1 364.603 3.388 20 0 FGADMP CC(C)C[C@H](C)[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000560729545 505172132 /nfs/dbraw/zinc/17/21/32/505172132.db2.gz GLLSSRGESBUKRP-IBGZPJMESA-N 2 1 359.558 3.381 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000563581363 505182711 /nfs/dbraw/zinc/18/27/11/505182711.db2.gz OSXGBGGJAXTGDT-UIBIWLFHSA-N 2 1 364.559 3.042 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O)C(C)C ZINC000551313767 505199110 /nfs/dbraw/zinc/19/91/10/505199110.db2.gz QJGNQAHDTWZKGB-OAHLLOKOSA-N 2 1 372.351 3.098 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655092 505202766 /nfs/dbraw/zinc/20/27/66/505202766.db2.gz HELRXOZRONJHPX-PMACEKPBSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655092 505202771 /nfs/dbraw/zinc/20/27/71/505202771.db2.gz HELRXOZRONJHPX-PMACEKPBSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655092 505202774 /nfs/dbraw/zinc/20/27/74/505202774.db2.gz HELRXOZRONJHPX-PMACEKPBSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655092 505202779 /nfs/dbraw/zinc/20/27/79/505202779.db2.gz HELRXOZRONJHPX-PMACEKPBSA-N 2 1 352.478 3.355 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667929 505205785 /nfs/dbraw/zinc/20/57/85/505205785.db2.gz XPUVHELGCLNZPH-WMZOPIPTSA-N 2 1 355.482 3.017 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1 ZINC000563669534 505206308 /nfs/dbraw/zinc/20/63/08/505206308.db2.gz GWUNKLJDZNPPAI-YLJYHZDGSA-N 2 1 374.916 3.244 20 0 FGADMP CN(c1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696891 505214922 /nfs/dbraw/zinc/21/49/22/505214922.db2.gz KVFULSSBBOHRGY-GOTSBHOMSA-N 2 1 369.553 3.360 20 0 FGADMP CN(c1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696891 505214924 /nfs/dbraw/zinc/21/49/24/505214924.db2.gz KVFULSSBBOHRGY-GOTSBHOMSA-N 2 1 369.553 3.360 20 0 FGADMP CC[NH+](CC)CC1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000563737299 505224758 /nfs/dbraw/zinc/22/47/58/505224758.db2.gz GSAKYQJXFMKSMU-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP CC[NH+](CC)CC1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000563737299 505224762 /nfs/dbraw/zinc/22/47/62/505224762.db2.gz GSAKYQJXFMKSMU-QHCPKHFHSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676520 505241463 /nfs/dbraw/zinc/24/14/63/505241463.db2.gz RCUWVGWUYDSETP-KDURUIRLSA-N 2 1 350.547 3.444 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676520 505241465 /nfs/dbraw/zinc/24/14/65/505241465.db2.gz RCUWVGWUYDSETP-KDURUIRLSA-N 2 1 350.547 3.444 20 0 FGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676520 505241467 /nfs/dbraw/zinc/24/14/67/505241467.db2.gz RCUWVGWUYDSETP-KDURUIRLSA-N 2 1 350.547 3.444 20 0 FGADMP CCCN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000563799037 505242319 /nfs/dbraw/zinc/24/23/19/505242319.db2.gz JKPPKIPKLCOFKL-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCc1c[nH+]c2n1CCCC2)c1ccccc1 ZINC000551580700 505259848 /nfs/dbraw/zinc/25/98/48/505259848.db2.gz VNZIZSRUHCSLTO-IBGZPJMESA-N 2 1 369.513 3.102 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000566765009 505266410 /nfs/dbraw/zinc/26/64/10/505266410.db2.gz VZICLGYISLTKBJ-UHFFFAOYSA-N 2 1 356.341 3.453 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554864808 505284722 /nfs/dbraw/zinc/28/47/22/505284722.db2.gz GLBGILBWCVFRRQ-NQIIRXRSSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863084 505294290 /nfs/dbraw/zinc/29/42/90/505294290.db2.gz GUVMIKOXGRXSTI-XPNTWCBSSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863084 505294296 /nfs/dbraw/zinc/29/42/96/505294296.db2.gz GUVMIKOXGRXSTI-XPNTWCBSSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863084 505294303 /nfs/dbraw/zinc/29/43/03/505294303.db2.gz GUVMIKOXGRXSTI-XPNTWCBSSA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863084 505294308 /nfs/dbraw/zinc/29/43/08/505294308.db2.gz GUVMIKOXGRXSTI-XPNTWCBSSA-N 2 1 371.569 3.478 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1sccc1F ZINC000551757119 505299119 /nfs/dbraw/zinc/29/91/19/505299119.db2.gz ZZCBEDUTCOJRLQ-UHFFFAOYSA-N 2 1 367.534 3.156 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001024 505334889 /nfs/dbraw/zinc/33/48/89/505334889.db2.gz DFKXZGGIXDLCEO-FPOVZHCZSA-N 2 1 369.553 3.422 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000564149044 505338199 /nfs/dbraw/zinc/33/81/99/505338199.db2.gz YUWUVMNIETXZAC-INIZCTEOSA-N 2 1 368.905 3.044 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3c(cc2Cl)OCCO3)C1 ZINC000564149044 505338201 /nfs/dbraw/zinc/33/82/01/505338201.db2.gz YUWUVMNIETXZAC-INIZCTEOSA-N 2 1 368.905 3.044 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CC[C@@](C)(C[NH3+])C1)C1CCCCC1 ZINC000567147010 505376895 /nfs/dbraw/zinc/37/68/95/505376895.db2.gz GXZDJVBFGPCVPY-QFIPXVFZSA-N 2 1 372.557 3.331 20 0 FGADMP Cc1c[nH+]ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555229030 505385381 /nfs/dbraw/zinc/38/53/81/505385381.db2.gz CDNIMLURZCWESH-HXUWFJFHSA-N 2 1 351.494 3.153 20 0 FGADMP CO[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000552065484 505388070 /nfs/dbraw/zinc/38/80/70/505388070.db2.gz BKUQJLUPQXRJPI-KJJMTIBFSA-N 2 1 358.526 3.072 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552064160 505388078 /nfs/dbraw/zinc/38/80/78/505388078.db2.gz ZNYVNORCVWLBLB-BDTNDASRSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552064160 505388080 /nfs/dbraw/zinc/38/80/80/505388080.db2.gz ZNYVNORCVWLBLB-BDTNDASRSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552064160 505388083 /nfs/dbraw/zinc/38/80/83/505388083.db2.gz ZNYVNORCVWLBLB-BDTNDASRSA-N 2 1 356.558 3.109 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)c2cccs2)CC1 ZINC000555245322 505390164 /nfs/dbraw/zinc/39/01/64/505390164.db2.gz LKJZNYDTXBFEIW-RTBURBONSA-N 2 1 371.550 3.409 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc4c3OCO4)CC2)C[C@H](C)O1 ZINC000552092030 505395978 /nfs/dbraw/zinc/39/59/78/505395978.db2.gz GWKWTKJATJGGTQ-CALCHBBNSA-N 2 1 360.498 3.127 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000552102746 505400556 /nfs/dbraw/zinc/40/05/56/505400556.db2.gz QNIQVFBAQVFMGW-KRWDZBQOSA-N 2 1 360.527 3.138 20 0 FGADMP CCc1[nH+]c2ccccc2c(N2CC[C@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000558493634 505408018 /nfs/dbraw/zinc/40/80/18/505408018.db2.gz RPGYSBCIRLFRGV-SFHVURJKSA-N 2 1 352.526 3.322 20 0 FGADMP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000564459321 505425553 /nfs/dbraw/zinc/42/55/53/505425553.db2.gz UWCXKRRBWCJTGI-KRWDZBQOSA-N 2 1 352.478 3.144 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760215 505428895 /nfs/dbraw/zinc/42/88/95/505428895.db2.gz APUODCFWEVSKLP-BXWFABGCSA-N 2 1 369.509 3.297 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCNC[C@](C)(F)C2)c1 ZINC000567351304 505437978 /nfs/dbraw/zinc/43/79/78/505437978.db2.gz FXFBBSKVSNOXPL-QFIPXVFZSA-N 2 1 369.484 3.092 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+]C[C@](C)(F)C2)c1 ZINC000567351304 505437986 /nfs/dbraw/zinc/43/79/86/505437986.db2.gz FXFBBSKVSNOXPL-QFIPXVFZSA-N 2 1 369.484 3.092 20 0 FGADMP CC(C)[C@@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000555598297 505468818 /nfs/dbraw/zinc/46/88/18/505468818.db2.gz QAUVZTDTZYYSIS-RTWAWAEBSA-N 2 1 361.505 3.057 20 0 FGADMP COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000555598639 505469219 /nfs/dbraw/zinc/46/92/19/505469219.db2.gz ZRZIKIVUQMVIEM-KRWDZBQOSA-N 2 1 353.304 3.375 20 0 FGADMP C[NH+](C)CCCCC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000552369727 505475304 /nfs/dbraw/zinc/47/53/04/505475304.db2.gz BXGDKZQZVKZUAD-HXUWFJFHSA-N 2 1 359.558 3.308 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)c(OC)n1 ZINC000562095046 505517536 /nfs/dbraw/zinc/51/75/36/505517536.db2.gz SOUPXLZOBNPEIR-VAMGGRTRSA-N 2 1 367.493 3.099 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c(OC)n1 ZINC000562095046 505517538 /nfs/dbraw/zinc/51/75/38/505517538.db2.gz SOUPXLZOBNPEIR-VAMGGRTRSA-N 2 1 367.493 3.099 20 0 FGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000564840604 505535165 /nfs/dbraw/zinc/53/51/65/505535165.db2.gz JCOVMOLPEBGIGF-NSHDSACASA-N 2 1 353.392 3.141 20 0 FGADMP Cc1ccc([C@@H](OC[C@@H](O)C[NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000564844778 505536724 /nfs/dbraw/zinc/53/67/24/505536724.db2.gz PFYFKGCXZXTOBQ-GOTSBHOMSA-N 2 1 368.521 3.146 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cc(Cl)ccc1Cl ZINC000564862476 505542944 /nfs/dbraw/zinc/54/29/44/505542944.db2.gz OIZWPVOHCNDLOF-GPANFISMSA-N 2 1 373.324 3.340 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955336 505562809 /nfs/dbraw/zinc/56/28/09/505562809.db2.gz XBCIYRNKJOZPSE-YADHBBJMSA-N 2 1 365.521 3.495 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[C@@H](C)n2ccnc21 ZINC000567847129 505568078 /nfs/dbraw/zinc/56/80/78/505568078.db2.gz ZILBTTKTFLKSBW-QAPCUYQASA-N 2 1 355.486 3.229 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567896712 505570476 /nfs/dbraw/zinc/57/04/76/505570476.db2.gz KGXVBUUSFXBVKV-QAPCUYQASA-N 2 1 350.532 3.365 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656139 506652461 /nfs/dbraw/zinc/65/24/61/506652461.db2.gz LDLOTPAVIKWRCN-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1sc2nc(C)nc(N(C)[C@@H]3CC[N@@H+](C4CC[NH+](C)CC4)C3)c2c1C ZINC000603927409 506661890 /nfs/dbraw/zinc/66/18/90/506661890.db2.gz GNWFEEDVAJOXSX-QGZVFWFLSA-N 2 1 373.570 3.221 20 0 FGADMP Cc1sc2nc(C)nc(N(C)[C@@H]3CC[N@H+](C4CC[NH+](C)CC4)C3)c2c1C ZINC000603927409 506661898 /nfs/dbraw/zinc/66/18/98/506661898.db2.gz GNWFEEDVAJOXSX-QGZVFWFLSA-N 2 1 373.570 3.221 20 0 FGADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@H]2CCOC2)cc1)C[C@@H]1CCOC1 ZINC000604054182 506700122 /nfs/dbraw/zinc/70/01/22/506700122.db2.gz YFNCYKIMMODPPU-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1ccc(C[N@H+](CC)C[C@@H]2CCOC2)cc1)C[C@H]1CCOC1 ZINC000604054182 506700127 /nfs/dbraw/zinc/70/01/27/506700127.db2.gz YFNCYKIMMODPPU-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@@H]2CCOC2)cc1)C[C@H]1CCOC1 ZINC000604054182 506700134 /nfs/dbraw/zinc/70/01/34/506700134.db2.gz YFNCYKIMMODPPU-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2oc(-c3ccccc3)nc2C(=O)OCC)CC1 ZINC000583381908 506748438 /nfs/dbraw/zinc/74/84/38/506748438.db2.gz RSGJIFMVZFZIPX-UHFFFAOYSA-N 2 1 371.481 3.340 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]1 ZINC000597232606 506849392 /nfs/dbraw/zinc/84/93/92/506849392.db2.gz WKEUWCKZMOSSGD-SFHVURJKSA-N 2 1 367.493 3.193 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662959 506901081 /nfs/dbraw/zinc/90/10/81/506901081.db2.gz FUBNJJXOBZWMAS-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662959 506901087 /nfs/dbraw/zinc/90/10/87/506901087.db2.gz FUBNJJXOBZWMAS-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662959 506901094 /nfs/dbraw/zinc/90/10/94/506901094.db2.gz FUBNJJXOBZWMAS-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662959 506901098 /nfs/dbraw/zinc/90/10/98/506901098.db2.gz FUBNJJXOBZWMAS-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1Cl ZINC000604773683 506937570 /nfs/dbraw/zinc/93/75/70/506937570.db2.gz YBVLIXFXRYMYNT-YOEHRIQHSA-N 2 1 353.938 3.301 20 0 FGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000604773510 506937849 /nfs/dbraw/zinc/93/78/49/506937849.db2.gz RPEBXFAMNGIAST-PBHICJAKSA-N 2 1 353.938 3.301 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000590786548 506955582 /nfs/dbraw/zinc/95/55/82/506955582.db2.gz DSPUERIRXLQMNP-XSYGEPLQSA-N 2 1 351.579 3.368 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000583929222 507053890 /nfs/dbraw/zinc/05/38/90/507053890.db2.gz SUTFYGHJONQQOP-HMFYCAOWSA-N 2 1 365.521 3.435 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCSCC(C)C)CC2)CC1 ZINC000594329050 507081951 /nfs/dbraw/zinc/08/19/51/507081951.db2.gz UNXPYUYRLTZCIA-UHFFFAOYSA-N 2 1 369.619 3.078 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061640 507132061 /nfs/dbraw/zinc/13/20/61/507132061.db2.gz QRDBPDHOZPEOHB-YJBOKZPZSA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061640 507132067 /nfs/dbraw/zinc/13/20/67/507132067.db2.gz QRDBPDHOZPEOHB-YJBOKZPZSA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000600894799 507164491 /nfs/dbraw/zinc/16/44/91/507164491.db2.gz VKXLNHTZAPCMRQ-NRFANRHFSA-N 2 1 372.557 3.087 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000600894799 507164500 /nfs/dbraw/zinc/16/45/00/507164500.db2.gz VKXLNHTZAPCMRQ-NRFANRHFSA-N 2 1 372.557 3.087 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000600894799 507164509 /nfs/dbraw/zinc/16/45/09/507164509.db2.gz VKXLNHTZAPCMRQ-NRFANRHFSA-N 2 1 372.557 3.087 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c(C)o1 ZINC000594608549 507209649 /nfs/dbraw/zinc/20/96/49/507209649.db2.gz DKJKSBIYFACGCJ-GOSISDBHSA-N 2 1 356.466 3.029 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)o1 ZINC000594608549 507209656 /nfs/dbraw/zinc/20/96/56/507209656.db2.gz DKJKSBIYFACGCJ-GOSISDBHSA-N 2 1 356.466 3.029 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000591558214 507292642 /nfs/dbraw/zinc/29/26/42/507292642.db2.gz ATQLIPIJRLHKFO-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000601215446 507298265 /nfs/dbraw/zinc/29/82/65/507298265.db2.gz DRRAQDJVAOJGTC-QAPCUYQASA-N 2 1 366.937 3.115 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)CSCCF)cc2)CC1 ZINC000595012540 507354507 /nfs/dbraw/zinc/35/45/07/507354507.db2.gz PPCOLXAPFNSWEN-QGZVFWFLSA-N 2 1 353.551 3.005 20 0 FGADMP C[C@H](OC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464671 507359627 /nfs/dbraw/zinc/35/96/27/507359627.db2.gz CSXBGSNNFFSPQQ-TXPKVOOTSA-N 2 1 354.922 3.100 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377301 507382071 /nfs/dbraw/zinc/38/20/71/507382071.db2.gz RFVATLJAERYNIF-FUHIMQAGSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377301 507382076 /nfs/dbraw/zinc/38/20/76/507382076.db2.gz RFVATLJAERYNIF-FUHIMQAGSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377301 507382082 /nfs/dbraw/zinc/38/20/82/507382082.db2.gz RFVATLJAERYNIF-FUHIMQAGSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000606377301 507382088 /nfs/dbraw/zinc/38/20/88/507382088.db2.gz RFVATLJAERYNIF-FUHIMQAGSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000584526688 507394481 /nfs/dbraw/zinc/39/44/81/507394481.db2.gz DHOBCZCGQVTPLJ-LPHOPBHVSA-N 2 1 371.550 3.352 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000584526688 507394487 /nfs/dbraw/zinc/39/44/87/507394487.db2.gz DHOBCZCGQVTPLJ-LPHOPBHVSA-N 2 1 371.550 3.352 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000606534260 507436700 /nfs/dbraw/zinc/43/67/00/507436700.db2.gz DHBAMBPKGHRPDJ-APAFKAMOSA-N 2 1 373.541 3.496 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000606534260 507436709 /nfs/dbraw/zinc/43/67/09/507436709.db2.gz DHBAMBPKGHRPDJ-APAFKAMOSA-N 2 1 373.541 3.496 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000606534260 507436717 /nfs/dbraw/zinc/43/67/17/507436717.db2.gz DHBAMBPKGHRPDJ-APAFKAMOSA-N 2 1 373.541 3.496 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000606534260 507436719 /nfs/dbraw/zinc/43/67/19/507436719.db2.gz DHBAMBPKGHRPDJ-APAFKAMOSA-N 2 1 373.541 3.496 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000584799511 507511115 /nfs/dbraw/zinc/51/11/15/507511115.db2.gz LKDNMDYDOUQCMW-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000584799512 507511667 /nfs/dbraw/zinc/51/16/67/507511667.db2.gz LKDNMDYDOUQCMW-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCCN(CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506517 507536958 /nfs/dbraw/zinc/53/69/58/507536958.db2.gz DVHSOMWFKFDEFD-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506517 507536959 /nfs/dbraw/zinc/53/69/59/507536959.db2.gz DVHSOMWFKFDEFD-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506517 507536961 /nfs/dbraw/zinc/53/69/61/507536961.db2.gz DVHSOMWFKFDEFD-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506517 507536964 /nfs/dbraw/zinc/53/69/64/507536964.db2.gz DVHSOMWFKFDEFD-QGZVFWFLSA-N 2 1 358.404 3.382 20 0 FGADMP C[C@@H]([NH2+]C1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CCCC1)c1ccccc1 ZINC000606913122 507555931 /nfs/dbraw/zinc/55/59/31/507555931.db2.gz HEYBSERPIWOXIC-QZTJIDSGSA-N 2 1 353.514 3.178 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000595657236 507617033 /nfs/dbraw/zinc/61/70/33/507617033.db2.gz CLCQGEJWLSXOQD-VQTJNVASSA-N 2 1 360.546 3.243 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C ZINC000592402782 507641125 /nfs/dbraw/zinc/64/11/25/507641125.db2.gz JNLXCVYQPLAMFC-YNWKUBOOSA-N 2 1 358.526 3.289 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@@H]1C ZINC000592402780 507641891 /nfs/dbraw/zinc/64/18/91/507641891.db2.gz JNLXCVYQPLAMFC-OSTWSGHESA-N 2 1 358.526 3.289 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000607279763 507675327 /nfs/dbraw/zinc/67/53/27/507675327.db2.gz NGCYBHCORISQSK-GPMSIDNRSA-N 2 1 363.933 3.466 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)[nH+]c1 ZINC000611878620 521377415 /nfs/dbraw/zinc/37/74/15/521377415.db2.gz FQKXKICRKZNLQO-HXUWFJFHSA-N 2 1 366.509 3.188 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCCCCCCC[NH+]2CCCC2)[nH+]1 ZINC000737240064 598746262 /nfs/dbraw/zinc/74/62/62/598746262.db2.gz HQEVLDNNIOPBEN-UHFFFAOYSA-N 2 1 357.506 3.337 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[NH+]2CCCC2)[nH+]1 ZINC000822192932 599431266 /nfs/dbraw/zinc/43/12/66/599431266.db2.gz GFYLCMHGSCDGMP-UHFFFAOYSA-N 2 1 363.469 3.086 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820706392 606914961 /nfs/dbraw/zinc/91/49/61/606914961.db2.gz ZQFCEABWNJIDNZ-KRWDZBQOSA-N 2 1 368.529 3.343 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824877611 609133744 /nfs/dbraw/zinc/13/37/44/609133744.db2.gz ZEZIVGXMRNRQBM-OWCLPIDISA-N 2 1 374.508 3.415 20 0 FGADMP C[C@H](C(=O)NCc1cccs1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564042 695883110 /nfs/dbraw/zinc/88/31/10/695883110.db2.gz BMFWEIZXQVHJNX-QGZVFWFLSA-N 2 1 363.571 3.341 20 0 FGADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000090852903 700408280 /nfs/dbraw/zinc/40/82/80/700408280.db2.gz NMCNPUBPQHXAJM-LTDCPUDJSA-N 2 1 351.897 3.441 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000127391965 700760856 /nfs/dbraw/zinc/76/08/56/700760856.db2.gz VGFRNRWZCUSPMT-UHFFFAOYSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000127391965 700760857 /nfs/dbraw/zinc/76/08/57/700760857.db2.gz VGFRNRWZCUSPMT-UHFFFAOYSA-N 2 1 350.507 3.349 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000154922473 705054993 /nfs/dbraw/zinc/05/49/93/705054993.db2.gz RPUVMKNRUJKASC-KRWDZBQOSA-N 2 1 355.320 3.289 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000154922473 705054999 /nfs/dbraw/zinc/05/49/99/705054999.db2.gz RPUVMKNRUJKASC-KRWDZBQOSA-N 2 1 355.320 3.289 20 0 FGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000177489244 705624687 /nfs/dbraw/zinc/62/46/87/705624687.db2.gz YEEPBEPURPZGRQ-SOLBZPMBSA-N 2 1 351.535 3.238 20 0 FGADMP Fc1cccc2c1SCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178469630 705665908 /nfs/dbraw/zinc/66/59/08/705665908.db2.gz WEFAKINMKXPOLD-RDTXWAMCSA-N 2 1 350.503 3.453 20 0 FGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000180049122 705726234 /nfs/dbraw/zinc/72/62/34/705726234.db2.gz JGHGEEWCBLOIDP-XFYFCPPXSA-N 2 1 351.535 3.381 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)cc(C)c1O ZINC000182461719 705844322 /nfs/dbraw/zinc/84/43/22/705844322.db2.gz QJSKXBKIULMVEC-LLVKDONJSA-N 2 1 352.276 3.394 20 0 FGADMP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192931243 712878042 /nfs/dbraw/zinc/87/80/42/712878042.db2.gz KEBZVWUWUQQQSQ-LBPRGKRZSA-N 2 1 360.329 3.376 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246295885 713621240 /nfs/dbraw/zinc/62/12/40/713621240.db2.gz YEEPBEPURPZGRQ-NUJGCVRESA-N 2 1 351.535 3.238 20 0 FGADMP Clc1cccc(-n2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nn2)c1Cl ZINC000261997139 713716753 /nfs/dbraw/zinc/71/67/53/713716753.db2.gz KWBFJDCNWBQXJI-UHFFFAOYSA-N 2 1 366.296 3.150 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCC1(F)F ZINC000414299993 714004030 /nfs/dbraw/zinc/00/40/30/714004030.db2.gz LDAAJZRYPXZFIN-IEWDOMPSSA-N 2 1 350.453 3.035 20 0 FGADMP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1CCCCC[N@@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443322454 714031665 /nfs/dbraw/zinc/03/16/65/714031665.db2.gz UDXNKFINGNUEOR-FITZOCOBSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@H](O)[C@H]1C[C@@H](C)CC[N@H+]1CCCCC[NH+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443322454 714031669 /nfs/dbraw/zinc/03/16/69/714031669.db2.gz UDXNKFINGNUEOR-FITZOCOBSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@H](O)[C@H]1C[C@@H](C)CC[N@@H+]1CCCCC[NH+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000443322454 714031671 /nfs/dbraw/zinc/03/16/71/714031671.db2.gz UDXNKFINGNUEOR-FITZOCOBSA-N 2 1 354.579 3.119 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](OC)C34CCC4)CC2)cs1 ZINC000453110065 714057133 /nfs/dbraw/zinc/05/71/33/714057133.db2.gz NQSXVTJXQBFTBA-QZTJIDSGSA-N 2 1 363.571 3.465 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cc(Cl)ccc1Cl ZINC000521624610 714140845 /nfs/dbraw/zinc/14/08/45/714140845.db2.gz RJPWRRIVHNBPAN-KRWDZBQOSA-N 2 1 356.297 3.398 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903149 714211596 /nfs/dbraw/zinc/21/15/96/714211596.db2.gz RUCATNYODZGHCO-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903149 714211599 /nfs/dbraw/zinc/21/15/99/714211599.db2.gz RUCATNYODZGHCO-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCc2cc(Cl)cs2)CC1 ZINC000522952298 714213422 /nfs/dbraw/zinc/21/34/22/714213422.db2.gz COURUMPFUJUDBQ-UHFFFAOYSA-N 2 1 364.902 3.120 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000523600043 714242965 /nfs/dbraw/zinc/24/29/65/714242965.db2.gz CZQSKYZDEAYECG-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000525399033 714350999 /nfs/dbraw/zinc/35/09/99/714350999.db2.gz XBOZAEFMUSBSDA-UHFFFAOYSA-N 2 1 357.889 3.496 20 0 FGADMP FC(F)(F)C1CCN(C2CC([NH2+]C3CC[NH+](CC4CC4)CC3)C2)CC1 ZINC000525999134 714394959 /nfs/dbraw/zinc/39/49/59/714394959.db2.gz NVYLTIOBZDMIOI-UHFFFAOYSA-N 2 1 359.480 3.256 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC1 ZINC000615616604 714539498 /nfs/dbraw/zinc/53/94/98/714539498.db2.gz ZMDZZEBZCRZDOQ-KRWDZBQOSA-N 2 1 366.575 3.113 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000615672313 714543763 /nfs/dbraw/zinc/54/37/63/714543763.db2.gz UBNMRRUGZTYSHR-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(O)cc3Cl)CC2)CC1 ZINC000616939702 714615450 /nfs/dbraw/zinc/61/54/50/714615450.db2.gz KLMYEKLQIYRJCB-UHFFFAOYSA-N 2 1 365.905 3.180 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1coc2ccc(Cl)cc12 ZINC000617502294 714662779 /nfs/dbraw/zinc/66/27/79/714662779.db2.gz KOGDCPPWCQGFBY-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1coc2ccc(Cl)cc12 ZINC000617502294 714662782 /nfs/dbraw/zinc/66/27/82/714662782.db2.gz KOGDCPPWCQGFBY-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Cl)c2Cl)CC1 ZINC000620531444 714922181 /nfs/dbraw/zinc/92/21/81/714922181.db2.gz DFSYPLBKGOZBGA-UHFFFAOYSA-N 2 1 365.264 3.393 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104814 714960500 /nfs/dbraw/zinc/96/05/00/714960500.db2.gz FJMBWJZFNUXMBR-VQIMIIECSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104814 714960502 /nfs/dbraw/zinc/96/05/02/714960502.db2.gz FJMBWJZFNUXMBR-VQIMIIECSA-N 2 1 363.933 3.181 20 0 FGADMP CC1(C)CC(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000623393309 715325587 /nfs/dbraw/zinc/32/55/87/715325587.db2.gz FLBSGJIXKRCWCN-KRWDZBQOSA-N 2 1 350.551 3.002 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1Cl ZINC000623453585 715339386 /nfs/dbraw/zinc/33/93/86/715339386.db2.gz VVCWAAHJFRUFLP-ROUUACIJSA-N 2 1 352.906 3.206 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557209 715360898 /nfs/dbraw/zinc/36/08/98/715360898.db2.gz OEQGWLGZKSKJCY-ZBFHGGJFSA-N 2 1 360.420 3.471 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557209 715360903 /nfs/dbraw/zinc/36/09/03/715360903.db2.gz OEQGWLGZKSKJCY-ZBFHGGJFSA-N 2 1 360.420 3.471 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624096058 715471214 /nfs/dbraw/zinc/47/12/14/715471214.db2.gz SFRJGQNJUVCCFG-QXAKKESOSA-N 2 1 351.485 3.216 20 0 FGADMP [NH3+]CCCOCC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000629535390 716304419 /nfs/dbraw/zinc/30/44/19/716304419.db2.gz CIXOXYTUSSUQOC-GOSISDBHSA-N 2 1 363.299 3.494 20 0 FGADMP O[C@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C[NH+]1CCCC1 ZINC000629574497 716310749 /nfs/dbraw/zinc/31/07/49/716310749.db2.gz JUWNIJJPVQQANP-QGZVFWFLSA-N 2 1 365.930 3.052 20 0 FGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)s2)cn1 ZINC000629653826 716329477 /nfs/dbraw/zinc/32/94/77/716329477.db2.gz GXHACRROBNKISG-BXUZGUMPSA-N 2 1 358.433 3.108 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)s2)cn1 ZINC000629653826 716329493 /nfs/dbraw/zinc/32/94/93/716329493.db2.gz GXHACRROBNKISG-BXUZGUMPSA-N 2 1 358.433 3.108 20 0 FGADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)cc2C(F)(F)F)CCOCC1 ZINC000629655341 716330117 /nfs/dbraw/zinc/33/01/17/716330117.db2.gz VDTHNCSNCFOCRU-UHFFFAOYSA-N 2 1 367.209 3.065 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](n2cncn2)C(F)(F)F)CC1 ZINC000631687984 716660401 /nfs/dbraw/zinc/66/04/01/716660401.db2.gz OZDILIQVMUIRCS-VNQPRFMTSA-N 2 1 359.440 3.014 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635454185 717171824 /nfs/dbraw/zinc/17/18/24/717171824.db2.gz UNBJOAKZKHSFHS-APWZRJJASA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635454185 717171826 /nfs/dbraw/zinc/17/18/26/717171826.db2.gz UNBJOAKZKHSFHS-APWZRJJASA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635454185 717171830 /nfs/dbraw/zinc/17/18/30/717171830.db2.gz UNBJOAKZKHSFHS-APWZRJJASA-N 2 1 361.555 3.093 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602755 717180826 /nfs/dbraw/zinc/18/08/26/717180826.db2.gz JGCFTSQXWJPAAA-HHXXYDBFSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602755 717180834 /nfs/dbraw/zinc/18/08/34/717180834.db2.gz JGCFTSQXWJPAAA-HHXXYDBFSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[C@@H]1c1cccs1 ZINC000635602755 717180836 /nfs/dbraw/zinc/18/08/36/717180836.db2.gz JGCFTSQXWJPAAA-HHXXYDBFSA-N 2 1 361.555 3.264 20 0 FGADMP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000638109409 717408708 /nfs/dbraw/zinc/40/87/08/717408708.db2.gz DZSNXXHJGVYGEX-GFCCVEGCSA-N 2 1 358.313 3.072 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638154196 717414890 /nfs/dbraw/zinc/41/48/90/717414890.db2.gz RWWORXCDFDTING-IBGZPJMESA-N 2 1 351.579 3.074 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1C(F)(F)F ZINC000640045684 717652813 /nfs/dbraw/zinc/65/28/13/717652813.db2.gz IHONOYYKFJLRNS-ZWKOTPCHSA-N 2 1 356.432 3.275 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3csc(C)c3)CC2)CC1 ZINC000640639095 717773628 /nfs/dbraw/zinc/77/36/28/717773628.db2.gz KXQIVZFCMNARMR-UHFFFAOYSA-N 2 1 350.532 3.080 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000644584917 718129040 /nfs/dbraw/zinc/12/90/40/718129040.db2.gz VABQAROBCNLSQH-PZJWPPBQSA-N 2 1 356.535 3.100 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1SCCc2ccccc21 ZINC000644584917 718129041 /nfs/dbraw/zinc/12/90/41/718129041.db2.gz VABQAROBCNLSQH-PZJWPPBQSA-N 2 1 356.535 3.100 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000647542262 718366663 /nfs/dbraw/zinc/36/66/63/718366663.db2.gz AXVNUNKJDBXXRH-CABCVRRESA-N 2 1 358.404 3.068 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(F)(F)F ZINC000647542262 718366664 /nfs/dbraw/zinc/36/66/64/718366664.db2.gz AXVNUNKJDBXXRH-CABCVRRESA-N 2 1 358.404 3.068 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901193 718385085 /nfs/dbraw/zinc/38/50/85/718385085.db2.gz KQFAPMRUPNOASB-HOCLYGCPSA-N 2 1 365.905 3.141 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976830 718391478 /nfs/dbraw/zinc/39/14/78/718391478.db2.gz URYGHSUBBTVDCM-SZMVWBNQSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288276 718501407 /nfs/dbraw/zinc/50/14/07/718501407.db2.gz HHCCCFOEDCFUJG-WMLDXEAASA-N 2 1 351.441 3.244 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307305 718502801 /nfs/dbraw/zinc/50/28/01/718502801.db2.gz GDZHZXQXESZGMF-NIKGAXFTSA-N 2 1 357.885 3.292 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307305 718502802 /nfs/dbraw/zinc/50/28/02/718502802.db2.gz GDZHZXQXESZGMF-NIKGAXFTSA-N 2 1 357.885 3.292 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342906 718505788 /nfs/dbraw/zinc/50/57/88/718505788.db2.gz WVNUZGYUDYIYEJ-MOPGFXCFSA-N 2 1 357.885 3.073 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707927 718717285 /nfs/dbraw/zinc/71/72/85/718717285.db2.gz QDICMGHYXICPAE-LESCRADOSA-N 2 1 352.906 3.457 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707131 718717707 /nfs/dbraw/zinc/71/77/07/718717707.db2.gz YVCYYNYUYYRMHR-UXLLHSPISA-N 2 1 358.404 3.304 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000650722093 718720001 /nfs/dbraw/zinc/72/00/01/718720001.db2.gz KPAGCEJWMYUJFD-SNPRPXQTSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722187 718720024 /nfs/dbraw/zinc/72/00/24/718720024.db2.gz MWQOYDBJUKNPNA-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722187 718720027 /nfs/dbraw/zinc/72/00/27/718720027.db2.gz MWQOYDBJUKNPNA-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000650722578 718720837 /nfs/dbraw/zinc/72/08/37/718720837.db2.gz WWVWWVLEKJEYRZ-UHFFFAOYSA-N 2 1 363.303 3.400 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3C[C@]3([NH3+])C2)n1 ZINC001164418195 718896266 /nfs/dbraw/zinc/89/62/66/718896266.db2.gz CCSXWCDHKKLDQX-KUHUBIRLSA-N 2 1 359.543 3.077 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154453 719018461 /nfs/dbraw/zinc/01/84/61/719018461.db2.gz RZPSXRZHDUPRCP-NDQWIJPBSA-N 2 1 367.896 3.106 20 0 FGADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606438 719064062 /nfs/dbraw/zinc/06/40/62/719064062.db2.gz KLERSVVPBYDLDS-OALUTQOASA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606438 719064066 /nfs/dbraw/zinc/06/40/66/719064066.db2.gz KLERSVVPBYDLDS-OALUTQOASA-N 2 1 354.922 3.100 20 0 FGADMP C[NH+](C)Cc1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC001164623350 719105196 /nfs/dbraw/zinc/10/51/96/719105196.db2.gz CNFQIXFCXCZVFK-SFTDATJTSA-N 2 1 350.510 3.244 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845930 719239445 /nfs/dbraw/zinc/23/94/45/719239445.db2.gz MMLKZXDOAWABDX-MAUKXSAKSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845930 719239449 /nfs/dbraw/zinc/23/94/49/719239449.db2.gz MMLKZXDOAWABDX-MAUKXSAKSA-N 2 1 351.922 3.133 20 0 FGADMP Brc1ccccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655703916 719327746 /nfs/dbraw/zinc/32/77/46/719327746.db2.gz NCZYYRBBKZQRPY-QGZVFWFLSA-N 2 1 367.331 3.225 20 0 FGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1cccc(F)c1 ZINC000655721310 719329686 /nfs/dbraw/zinc/32/96/86/719329686.db2.gz MXEAQQNHTIKNGN-AZUAARDMSA-N 2 1 350.478 3.216 20 0 FGADMP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655724842 719330247 /nfs/dbraw/zinc/33/02/47/719330247.db2.gz IHZSOQWMJCUXHU-FUHWJXTLSA-N 2 1 364.555 3.266 20 0 FGADMP FC(F)Oc1ccccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655759740 719336030 /nfs/dbraw/zinc/33/60/30/719336030.db2.gz GOQCWHRYYUOFJA-QGZVFWFLSA-N 2 1 354.441 3.064 20 0 FGADMP COC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655773136 719337730 /nfs/dbraw/zinc/33/77/30/719337730.db2.gz RRNOJMLLKQFBPR-YLJYHZDGSA-N 2 1 366.933 3.303 20 0 FGADMP Cc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655799510 719341137 /nfs/dbraw/zinc/34/11/37/719341137.db2.gz HFYVRNCIDIMEHJ-INIZCTEOSA-N 2 1 353.304 3.100 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551349 719407372 /nfs/dbraw/zinc/40/73/72/719407372.db2.gz JPMIUHMDLYHVFJ-NVXWUHKLSA-N 2 1 364.559 3.057 20 0 FGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697547 719444390 /nfs/dbraw/zinc/44/43/90/719444390.db2.gz JJSDQEHMXQKTFB-IRXDYDNUSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697547 719444391 /nfs/dbraw/zinc/44/43/91/719444391.db2.gz JJSDQEHMXQKTFB-IRXDYDNUSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697547 719444394 /nfs/dbraw/zinc/44/43/94/719444394.db2.gz JJSDQEHMXQKTFB-IRXDYDNUSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697547 719444396 /nfs/dbraw/zinc/44/43/96/719444396.db2.gz JJSDQEHMXQKTFB-IRXDYDNUSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657593519 719680731 /nfs/dbraw/zinc/68/07/31/719680731.db2.gz AEBWWPJEEFTFDC-GOSISDBHSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657593519 719680734 /nfs/dbraw/zinc/68/07/34/719680734.db2.gz AEBWWPJEEFTFDC-GOSISDBHSA-N 2 1 359.539 3.297 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c(Cl)c1 ZINC000657596190 719681083 /nfs/dbraw/zinc/68/10/83/719681083.db2.gz VQOGFTOOOQAKIL-GOSISDBHSA-N 2 1 360.885 3.205 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312051 720027639 /nfs/dbraw/zinc/02/76/39/720027639.db2.gz NQKXRSCKJDCTSN-WMZOPIPTSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657644 720092477 /nfs/dbraw/zinc/09/24/77/720092477.db2.gz ZAKLTRIATHRCHB-VDGAXYAQSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657644 720092481 /nfs/dbraw/zinc/09/24/81/720092481.db2.gz ZAKLTRIATHRCHB-VDGAXYAQSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657644 720092484 /nfs/dbraw/zinc/09/24/84/720092484.db2.gz ZAKLTRIATHRCHB-VDGAXYAQSA-N 2 1 366.933 3.196 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272046 720408147 /nfs/dbraw/zinc/40/81/47/720408147.db2.gz BYRYEEAUOXPTEB-ZIAGYGMSSA-N 2 1 368.319 3.064 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272046 720408148 /nfs/dbraw/zinc/40/81/48/720408148.db2.gz BYRYEEAUOXPTEB-ZIAGYGMSSA-N 2 1 368.319 3.064 20 0 FGADMP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000662285194 720409832 /nfs/dbraw/zinc/40/98/32/720409832.db2.gz ZHFFTNQTLXHJDB-LZQZEXGQSA-N 2 1 350.528 3.148 20 0 FGADMP Clc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)nn2)cc1 ZINC000662293764 720411016 /nfs/dbraw/zinc/41/10/16/720411016.db2.gz SZBCUWWDJOKDKC-INIZCTEOSA-N 2 1 359.905 3.132 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)cc1Cl ZINC000662292836 720411128 /nfs/dbraw/zinc/41/11/28/720411128.db2.gz APQXIELAIRMFBX-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)cc1Cl ZINC000662292836 720411131 /nfs/dbraw/zinc/41/11/31/720411131.db2.gz APQXIELAIRMFBX-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313731 720414036 /nfs/dbraw/zinc/41/40/36/720414036.db2.gz YWAANUGQILDZSG-CXAGYDPISA-N 2 1 367.921 3.435 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccc(Cl)c1Cl ZINC000662516425 720437136 /nfs/dbraw/zinc/43/71/36/720437136.db2.gz BJNQUQWBSIWPMS-DYVFJYSZSA-N 2 1 370.324 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512883 720437311 /nfs/dbraw/zinc/43/73/11/720437311.db2.gz MMFATCWSEJWNJE-QCSYZSNVSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512883 720437313 /nfs/dbraw/zinc/43/73/13/720437313.db2.gz MMFATCWSEJWNJE-QCSYZSNVSA-N 2 1 367.896 3.247 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589324 720443798 /nfs/dbraw/zinc/44/37/98/720443798.db2.gz AXQURVISKOPTHK-BLLLJJGKSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589324 720443800 /nfs/dbraw/zinc/44/38/00/720443800.db2.gz AXQURVISKOPTHK-BLLLJJGKSA-N 2 1 372.340 3.491 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000664314371 720623346 /nfs/dbraw/zinc/62/33/46/720623346.db2.gz INQMRFXBVCBTJH-LBPRGKRZSA-N 2 1 361.317 3.387 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Cl)cc1Cl ZINC000664314371 720623347 /nfs/dbraw/zinc/62/33/47/720623347.db2.gz INQMRFXBVCBTJH-LBPRGKRZSA-N 2 1 361.317 3.387 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(Cl)c1Cl ZINC000664314127 720623400 /nfs/dbraw/zinc/62/34/00/720623400.db2.gz GSQJQZNOPYKTQU-LBPRGKRZSA-N 2 1 361.317 3.387 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(Cl)c1Cl ZINC000664314127 720623403 /nfs/dbraw/zinc/62/34/03/720623403.db2.gz GSQJQZNOPYKTQU-LBPRGKRZSA-N 2 1 361.317 3.387 20 0 FGADMP CSc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1C ZINC000667294921 721069068 /nfs/dbraw/zinc/06/90/68/721069068.db2.gz NCSSURBXACOIDP-HNNXBMFYSA-N 2 1 352.548 3.110 20 0 FGADMP CSc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1C ZINC000667294921 721069073 /nfs/dbraw/zinc/06/90/73/721069073.db2.gz NCSSURBXACOIDP-HNNXBMFYSA-N 2 1 352.548 3.110 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669556550 721465706 /nfs/dbraw/zinc/46/57/06/721465706.db2.gz ZIFXARZHNUHNTR-XZJROXQQSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669556550 721465708 /nfs/dbraw/zinc/46/57/08/721465708.db2.gz ZIFXARZHNUHNTR-XZJROXQQSA-N 2 1 370.900 3.039 20 0 FGADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@H+]3C2)c1 ZINC001164898116 721516255 /nfs/dbraw/zinc/51/62/55/721516255.db2.gz HTXNBLIDXJTBHV-WMZOPIPTSA-N 2 1 352.413 3.044 20 0 FGADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000675177664 721735894 /nfs/dbraw/zinc/73/58/94/721735894.db2.gz VVMFSPUUBZRZOP-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP CN(C)c1cccc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165022099 721802789 /nfs/dbraw/zinc/80/27/89/721802789.db2.gz HVJMVHOHKZHALM-YSIASYRMSA-N 2 1 365.525 3.280 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000677754435 721914226 /nfs/dbraw/zinc/91/42/26/721914226.db2.gz WQFGCZQVWWSVQL-DZGCQCFKSA-N 2 1 350.557 3.152 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000678774976 721978123 /nfs/dbraw/zinc/97/81/23/721978123.db2.gz VMPDIWXDJIEYAN-PKOBYXMFSA-N 2 1 367.896 3.215 20 0 FGADMP Cc1nc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(N(C)C)[nH+]1 ZINC001164992885 722192904 /nfs/dbraw/zinc/19/29/04/722192904.db2.gz BZHPYPCXGRVLQQ-NRFANRHFSA-N 2 1 369.488 3.235 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000682404761 722245498 /nfs/dbraw/zinc/24/54/98/722245498.db2.gz KPVDYNHBUGSNHQ-GOSISDBHSA-N 2 1 355.448 3.226 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000682404761 722245500 /nfs/dbraw/zinc/24/55/00/722245500.db2.gz KPVDYNHBUGSNHQ-GOSISDBHSA-N 2 1 355.448 3.226 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCc3cccnc32)c2cccs2)CC1 ZINC000684953401 722369336 /nfs/dbraw/zinc/36/93/36/722369336.db2.gz GVDCDRVBAUVKDW-QZTJIDSGSA-N 2 1 356.539 3.099 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000729267974 722458549 /nfs/dbraw/zinc/45/85/49/722458549.db2.gz CSMSPDFYVSVZML-QGZVFWFLSA-N 2 1 353.551 3.438 20 0 FGADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738881418 722531878 /nfs/dbraw/zinc/53/18/78/722531878.db2.gz IQJKRRUHFBXQBL-MOPGFXCFSA-N 2 1 366.933 3.168 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000750984532 722788889 /nfs/dbraw/zinc/78/88/89/722788889.db2.gz SBVXGZOUIXRZOG-INIZCTEOSA-N 2 1 362.389 3.308 20 0 FGADMP CC[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000762927767 723293351 /nfs/dbraw/zinc/29/33/51/723293351.db2.gz WBBYPKLYKJGOEI-SJORKVTESA-N 2 1 350.507 3.207 20 0 FGADMP CC[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000762927767 723293355 /nfs/dbraw/zinc/29/33/55/723293355.db2.gz WBBYPKLYKJGOEI-SJORKVTESA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000766250296 723564582 /nfs/dbraw/zinc/56/45/82/723564582.db2.gz KUCZVPDUPXMOAM-DNVCBOLYSA-N 2 1 350.507 3.255 20 0 FGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)c1 ZINC000795918310 723613977 /nfs/dbraw/zinc/61/39/77/723613977.db2.gz XUJYMTVOWBOQDW-SFHVURJKSA-N 2 1 364.555 3.483 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)c1 ZINC000795918310 723613980 /nfs/dbraw/zinc/61/39/80/723613980.db2.gz XUJYMTVOWBOQDW-SFHVURJKSA-N 2 1 364.555 3.483 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000767458681 723619975 /nfs/dbraw/zinc/61/99/75/723619975.db2.gz BKMDPAZPNSSGLW-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000767458681 723619976 /nfs/dbraw/zinc/61/99/76/723619976.db2.gz BKMDPAZPNSSGLW-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952963 723660957 /nfs/dbraw/zinc/66/09/57/723660957.db2.gz JUGRTGXNQMOOBR-ZKXLYKBJSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CCC[NH+](C)C1 ZINC000768547176 723661388 /nfs/dbraw/zinc/66/13/88/723661388.db2.gz RCIUBOFIPFTQTH-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CCC[N@H+](C)C1 ZINC000768547176 723661390 /nfs/dbraw/zinc/66/13/90/723661390.db2.gz RCIUBOFIPFTQTH-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CCC1CCN(C(=O)OC(C)(C)C)CC1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000768547176 723661392 /nfs/dbraw/zinc/66/13/92/723661392.db2.gz RCIUBOFIPFTQTH-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3cn(-c4ccc(Cl)cc4)nn3)C2)CC1 ZINC000799178177 723995420 /nfs/dbraw/zinc/99/54/20/723995420.db2.gz PBKRPJKWGPEQLY-UHFFFAOYSA-N 2 1 359.905 3.229 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cn(-c4ccc(Cl)cc4)nn3)C2)CC1 ZINC000799178177 723995422 /nfs/dbraw/zinc/99/54/22/723995422.db2.gz PBKRPJKWGPEQLY-UHFFFAOYSA-N 2 1 359.905 3.229 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000775625238 724011787 /nfs/dbraw/zinc/01/17/87/724011787.db2.gz DSNYABLAGGWSIQ-FVQBIDKESA-N 2 1 357.445 3.174 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000787302211 725024227 /nfs/dbraw/zinc/02/42/27/725024227.db2.gz HJWIQEONDUBUMR-ATZDWAIDSA-N 2 1 354.922 3.100 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788501616 725068363 /nfs/dbraw/zinc/06/83/63/725068363.db2.gz FWHZOMSWKXCOLO-ROUUACIJSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671625 725080305 /nfs/dbraw/zinc/08/03/05/725080305.db2.gz MYSPBFHUYYLDSY-DLBZAZTESA-N 2 1 353.551 3.199 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826635 725098441 /nfs/dbraw/zinc/09/84/41/725098441.db2.gz FNLYLDFTCOGORH-MOPGFXCFSA-N 2 1 351.535 3.384 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826635 725098445 /nfs/dbraw/zinc/09/84/45/725098445.db2.gz FNLYLDFTCOGORH-MOPGFXCFSA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826635 725098449 /nfs/dbraw/zinc/09/84/49/725098449.db2.gz FNLYLDFTCOGORH-MOPGFXCFSA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826635 725098452 /nfs/dbraw/zinc/09/84/52/725098452.db2.gz FNLYLDFTCOGORH-MOPGFXCFSA-N 2 1 351.535 3.384 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157434 725118740 /nfs/dbraw/zinc/11/87/40/725118740.db2.gz FVOGJLGYFPLEBK-AEFFLSMTSA-N 2 1 357.885 3.079 20 0 FGADMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)Cc1cccc(Cl)c1 ZINC000809737130 725264011 /nfs/dbraw/zinc/26/40/11/725264011.db2.gz CTXCXPIRMIXKCC-UHFFFAOYSA-N 2 1 366.962 3.422 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000809750461 725264917 /nfs/dbraw/zinc/26/49/17/725264917.db2.gz XCXFBQZZHSNNQJ-SFHVURJKSA-N 2 1 353.551 3.441 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1Cl ZINC000809757267 725265682 /nfs/dbraw/zinc/26/56/82/725265682.db2.gz XYJAGSMRUZHUIZ-LBPRGKRZSA-N 2 1 364.843 3.256 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1Cl ZINC000809757267 725265683 /nfs/dbraw/zinc/26/56/83/725265683.db2.gz XYJAGSMRUZHUIZ-LBPRGKRZSA-N 2 1 364.843 3.256 20 0 FGADMP CC1(C)[C@@H](O)CC[NH+]1CCCCCCCCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000812868723 726819623 /nfs/dbraw/zinc/81/96/23/726819623.db2.gz MIAJAQGZFPVFSO-OALUTQOASA-N 2 1 354.579 3.408 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC000815135631 727043478 /nfs/dbraw/zinc/04/34/78/727043478.db2.gz YRELUPNBRAJZBJ-NZSAHSFTSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1Cl ZINC000815135631 727043483 /nfs/dbraw/zinc/04/34/83/727043483.db2.gz YRELUPNBRAJZBJ-NZSAHSFTSA-N 2 1 358.917 3.464 20 0 FGADMP O[C@](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)(c1ccccc1)C(F)(F)F ZINC000817892346 727287084 /nfs/dbraw/zinc/28/70/84/727287084.db2.gz SZVBWSKKLNHOLG-XMTFNYHQSA-N 2 1 356.432 3.337 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819101201 727347424 /nfs/dbraw/zinc/34/74/24/727347424.db2.gz PGFBVIVPXXSABH-MRXNPFEDSA-N 2 1 370.266 3.197 20 0 FGADMP C[N@@H+](CCCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F)C1CC1 ZINC000819362752 727371151 /nfs/dbraw/zinc/37/11/51/727371151.db2.gz RDAGLRXDIDYRBD-QGZVFWFLSA-N 2 1 373.310 3.260 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366072 727371289 /nfs/dbraw/zinc/37/12/89/727371289.db2.gz ICHAOCVJNGPZNZ-SUMWQHHRSA-N 2 1 373.310 3.117 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000821387742 729082541 /nfs/dbraw/zinc/08/25/41/729082541.db2.gz WTOOGTAYDRFMJY-OKZBNKHCSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000821387742 729082545 /nfs/dbraw/zinc/08/25/45/729082545.db2.gz WTOOGTAYDRFMJY-OKZBNKHCSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1C[C@@H](O)c1cccs1 ZINC000821387742 729082547 /nfs/dbraw/zinc/08/25/47/729082547.db2.gz WTOOGTAYDRFMJY-OKZBNKHCSA-N 2 1 354.560 3.117 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409285 729277549 /nfs/dbraw/zinc/27/75/49/729277549.db2.gz WVDKYUJXTDSDKH-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409285 729277550 /nfs/dbraw/zinc/27/75/50/729277550.db2.gz WVDKYUJXTDSDKH-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409285 729277554 /nfs/dbraw/zinc/27/75/54/729277554.db2.gz WVDKYUJXTDSDKH-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823614229 729292521 /nfs/dbraw/zinc/29/25/21/729292521.db2.gz PCHNNMNDIPLLQS-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C[C@]2(C)CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000827777891 729434655 /nfs/dbraw/zinc/43/46/55/729434655.db2.gz JURKOIUDSQSLEW-SFHVURJKSA-N 2 1 370.368 3.320 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831480910 729645385 /nfs/dbraw/zinc/64/53/85/729645385.db2.gz JMBDHADBXTWNDN-BEFAXECRSA-N 2 1 369.912 3.497 20 0 FGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810121 730177643 /nfs/dbraw/zinc/17/76/43/730177643.db2.gz QBVRVWDTVQKFHU-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810122 730177679 /nfs/dbraw/zinc/17/76/79/730177679.db2.gz QBVRVWDTVQKFHU-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842668249 730527266 /nfs/dbraw/zinc/52/72/66/730527266.db2.gz LHGLRDBOUCVCST-ZJPYXAASSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(C)C ZINC000842673134 730528899 /nfs/dbraw/zinc/52/88/99/730528899.db2.gz FJVZEQRCPUYDDC-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(C)C ZINC000842673134 730528902 /nfs/dbraw/zinc/52/89/02/730528902.db2.gz FJVZEQRCPUYDDC-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363612 730610799 /nfs/dbraw/zinc/61/07/99/730610799.db2.gz COVNJHCKSXIQJQ-UHFFFAOYSA-N 2 1 370.324 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399562 730614848 /nfs/dbraw/zinc/61/48/48/730614848.db2.gz KYYOJDWVIUMLJM-SQNIBIBYSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843496246 730624651 /nfs/dbraw/zinc/62/46/51/730624651.db2.gz VVDSNSDVTCTNIF-IRWQIABSSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000843496246 730624652 /nfs/dbraw/zinc/62/46/52/730624652.db2.gz VVDSNSDVTCTNIF-IRWQIABSSA-N 2 1 367.896 3.119 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000846200733 730936220 /nfs/dbraw/zinc/93/62/20/730936220.db2.gz ULVQDQMOCCJHDE-IXDOHACOSA-N 2 1 351.535 3.144 20 0 FGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC000848547167 731179038 /nfs/dbraw/zinc/17/90/38/731179038.db2.gz LBFNTGJWPIJXPU-YTQUADARSA-N 2 1 358.917 3.464 20 0 FGADMP CC[C@H](CNC(=[NH2+])NCCc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000849063146 731225204 /nfs/dbraw/zinc/22/52/04/731225204.db2.gz YYFIRPDVGKVHMK-GOSISDBHSA-N 2 1 356.539 3.241 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849095536 731228845 /nfs/dbraw/zinc/22/88/45/731228845.db2.gz BITSRMWYTKCOSG-UPTPFMHGSA-N 2 1 352.885 3.265 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849105723 731229865 /nfs/dbraw/zinc/22/98/65/731229865.db2.gz VRRURWILLPCKCW-UHFFFAOYSA-N 2 1 356.436 3.441 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc12 ZINC000849350521 731251555 /nfs/dbraw/zinc/25/15/55/731251555.db2.gz OZPASZSLESOQBE-HNNXBMFYSA-N 2 1 361.921 3.142 20 0 FGADMP CCOC(=O)NC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000850456627 731358714 /nfs/dbraw/zinc/35/87/14/731358714.db2.gz ASXFINDMZTWGOE-MRLCAUJQSA-N 2 1 351.535 3.286 20 0 FGADMP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000850566708 731374337 /nfs/dbraw/zinc/37/43/37/731374337.db2.gz QRFGFVQATXCHQE-BRSBDYLESA-N 2 1 353.551 3.388 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4cn[nH]c43)CC2)cs1 ZINC000857854892 732163407 /nfs/dbraw/zinc/16/34/07/732163407.db2.gz RTTIVWZSNXDJTR-QGZVFWFLSA-N 2 1 359.543 3.308 20 0 FGADMP COCC1=CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC=C(COC)CC2)CC1 ZINC000859258835 732298102 /nfs/dbraw/zinc/29/81/02/732298102.db2.gz USYHJHJHOYIAKE-UHFFFAOYSA-N 2 1 366.622 3.252 20 0 FGADMP CO[C@@H]1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000859324008 732310564 /nfs/dbraw/zinc/31/05/64/732310564.db2.gz GMAYZJNDKMIFNG-WTGUMLROSA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000859324008 732310568 /nfs/dbraw/zinc/31/05/68/732310568.db2.gz GMAYZJNDKMIFNG-WTGUMLROSA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000859324008 732310571 /nfs/dbraw/zinc/31/05/71/732310571.db2.gz GMAYZJNDKMIFNG-WTGUMLROSA-N 2 1 370.654 3.408 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000862482241 732839978 /nfs/dbraw/zinc/83/99/78/732839978.db2.gz FVKKEYPLSYVKHJ-FGTMMUONSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866259293 733329673 /nfs/dbraw/zinc/32/96/73/733329673.db2.gz LCSSKOYMKGRABD-CQSZACIVSA-N 2 1 364.921 3.405 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000876029281 736049894 /nfs/dbraw/zinc/04/98/94/736049894.db2.gz BZZBULRDEVTYGK-HKUYNNGSSA-N 2 1 352.567 3.011 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(Cl)ccc1Br ZINC000876915762 736162594 /nfs/dbraw/zinc/16/25/94/736162594.db2.gz AVAUQEDNUWGRKX-SNVBAGLBSA-N 2 1 357.683 3.428 20 0 FGADMP C[S@@](=O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877051994 736181132 /nfs/dbraw/zinc/18/11/32/736181132.db2.gz QCRVPECTDCKQMU-HYBUGGRVSA-N 2 1 350.572 3.283 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000877149611 736193271 /nfs/dbraw/zinc/19/32/71/736193271.db2.gz DPZBPQWRHJUHQC-XDHUDOTRSA-N 2 1 360.479 3.334 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411587 736827884 /nfs/dbraw/zinc/82/78/84/736827884.db2.gz LVMDSQILNXDVMU-NSHGMRRFSA-N 2 1 350.547 3.205 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574143 737009857 /nfs/dbraw/zinc/00/98/57/737009857.db2.gz ADYPNOMSIWSEPK-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574143 737009862 /nfs/dbraw/zinc/00/98/62/737009862.db2.gz ADYPNOMSIWSEPK-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574143 737009866 /nfs/dbraw/zinc/00/98/66/737009866.db2.gz ADYPNOMSIWSEPK-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574143 737009871 /nfs/dbraw/zinc/00/98/71/737009871.db2.gz ADYPNOMSIWSEPK-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Br)c1 ZINC000879662714 737026104 /nfs/dbraw/zinc/02/61/04/737026104.db2.gz JMQACHKKAXOYIB-MRXNPFEDSA-N 2 1 352.276 3.321 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000883360025 737557993 /nfs/dbraw/zinc/55/79/93/737557993.db2.gz SGUIPXZJWHRPLV-VHDGCEQUSA-N 2 1 366.374 3.188 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000883360025 737557997 /nfs/dbraw/zinc/55/79/97/737557997.db2.gz SGUIPXZJWHRPLV-VHDGCEQUSA-N 2 1 366.374 3.188 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869539 739312025 /nfs/dbraw/zinc/31/20/25/739312025.db2.gz BMJQQLZCQMODSQ-IBGZPJMESA-N 2 1 365.905 3.143 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000892085614 739963068 /nfs/dbraw/zinc/96/30/68/739963068.db2.gz HHKIALFCWVXYBU-KSZLIROESA-N 2 1 351.535 3.240 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1OCC(F)F ZINC000894096844 742238794 /nfs/dbraw/zinc/23/87/94/742238794.db2.gz YMBYLGMQWGVBJT-SOLBZPMBSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1OCC(F)F ZINC000894096844 742238797 /nfs/dbraw/zinc/23/87/97/742238797.db2.gz YMBYLGMQWGVBJT-SOLBZPMBSA-N 2 1 354.441 3.014 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1(C)C ZINC000894659865 742315800 /nfs/dbraw/zinc/31/58/00/742315800.db2.gz DPJLCEYEQKNTFU-UHFFFAOYSA-N 2 1 352.935 3.065 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000895587368 742429878 /nfs/dbraw/zinc/42/98/78/742429878.db2.gz QBJJSHZDJLZRPY-QXSJWSMHSA-N 2 1 364.452 3.218 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)s1 ZINC000896931110 742617426 /nfs/dbraw/zinc/61/74/26/742617426.db2.gz DPJPPLGMPUYCOG-GOEBONIOSA-N 2 1 365.543 3.105 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cc(Cl)cc4ccccc43)C2)nn1 ZINC000903458711 743853184 /nfs/dbraw/zinc/85/31/84/743853184.db2.gz HUBUARJDRAXRJZ-GOSISDBHSA-N 2 1 355.873 3.381 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764290 743881400 /nfs/dbraw/zinc/88/14/00/743881400.db2.gz QWMIVAQHFFJACY-HBUWYVDXSA-N 2 1 356.869 3.076 20 0 FGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955743 743904695 /nfs/dbraw/zinc/90/46/95/743904695.db2.gz AWTDCFNISWDLFF-CQSZACIVSA-N 2 1 368.859 3.477 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969691 743906774 /nfs/dbraw/zinc/90/67/74/743906774.db2.gz JBYCYNXCZTUEPR-YOEHRIQHSA-N 2 1 356.432 3.385 20 0 FGADMP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000913388048 757506764 /nfs/dbraw/zinc/50/67/64/757506764.db2.gz SZQQUNAWAFZPHL-SFHVURJKSA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000913388048 757506770 /nfs/dbraw/zinc/50/67/70/757506770.db2.gz SZQQUNAWAFZPHL-SFHVURJKSA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccccc1Cl ZINC000920758506 758596618 /nfs/dbraw/zinc/59/66/18/758596618.db2.gz GWLMODHVYQEOFK-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000922115291 758851955 /nfs/dbraw/zinc/85/19/55/758851955.db2.gz JRSCGZNLPWSDGJ-UHFFFAOYSA-N 2 1 362.905 3.388 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390134 758911643 /nfs/dbraw/zinc/91/16/43/758911643.db2.gz KUPAXNISTHIDOP-WCVJEAGWSA-N 2 1 373.360 3.080 20 0 FGADMP CN(C)[C@@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F ZINC000922754269 758997904 /nfs/dbraw/zinc/99/79/04/758997904.db2.gz JGCWHSPXIKWKKJ-SFHVURJKSA-N 2 1 357.464 3.166 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923300143 759098071 /nfs/dbraw/zinc/09/80/71/759098071.db2.gz BTOBLQTWVSWLLB-DUZACMNTSA-N 2 1 350.528 3.004 20 0 FGADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382566 759109074 /nfs/dbraw/zinc/10/90/74/759109074.db2.gz CXKLHDQCDRYLIX-HOCLYGCPSA-N 2 1 356.432 3.073 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488977 759130764 /nfs/dbraw/zinc/13/07/64/759130764.db2.gz VNEXPWAABHETDC-QWRGUYRKSA-N 2 1 363.811 3.357 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1nc(Br)ccc1F ZINC000924950333 759422099 /nfs/dbraw/zinc/42/20/99/759422099.db2.gz JKBODLOLALBOLC-QWRGUYRKSA-N 2 1 355.255 3.475 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000924965925 759424339 /nfs/dbraw/zinc/42/43/39/759424339.db2.gz QITFTORYGBQSOJ-STQMWFEESA-N 2 1 362.358 3.493 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000924965925 759424342 /nfs/dbraw/zinc/42/43/42/759424342.db2.gz QITFTORYGBQSOJ-STQMWFEESA-N 2 1 362.358 3.493 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3[C@H](C)COC[C@H]3C)CC2)cs1 ZINC000925032298 759434122 /nfs/dbraw/zinc/43/41/22/759434122.db2.gz ULZCPTDJVUOEPH-HUUCEWRRSA-N 2 1 351.560 3.178 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)n1 ZINC000925440376 759488697 /nfs/dbraw/zinc/48/86/97/759488697.db2.gz RDYABJFKOZIJSM-QLFBSQMISA-N 2 1 370.335 3.384 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H](c2ccccc2)[C@@H](C)[NH3+])n1CC(C)C ZINC000925489381 759496373 /nfs/dbraw/zinc/49/63/73/759496373.db2.gz XUVJLSQYEXCDJE-CRAIPNDOSA-N 2 1 361.559 3.267 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573959 759507182 /nfs/dbraw/zinc/50/71/82/759507182.db2.gz QTVKYGCRFGHCPE-SJORKVTESA-N 3 1 364.603 3.413 20 0 FGADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775314 759534646 /nfs/dbraw/zinc/53/46/46/759534646.db2.gz FPVOOXPQXBZUQE-NOZJJQNGSA-N 2 1 363.221 3.410 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779965 759535425 /nfs/dbraw/zinc/53/54/25/759535425.db2.gz CNIQNNGGGBPDBA-FZMZJTMJSA-N 2 1 352.454 3.409 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925786662 759539340 /nfs/dbraw/zinc/53/93/40/759539340.db2.gz XRSGIWGTNYGWBX-UKRRQHHQSA-N 2 1 354.445 3.112 20 0 FGADMP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925807423 759546578 /nfs/dbraw/zinc/54/65/78/759546578.db2.gz ASDSWJKWASVJFU-NUEKZKHPSA-N 2 1 373.722 3.349 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H](C)c3cc(O)cc(F)c3)C2)[C@H]1C(C)C ZINC000926878167 759835589 /nfs/dbraw/zinc/83/55/89/759835589.db2.gz FFOMVZLJCLSJQS-OBHGLWADSA-N 2 1 350.478 3.052 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccns3)C2)ccn1 ZINC000931094344 760774195 /nfs/dbraw/zinc/77/41/95/760774195.db2.gz NCRPHWCRDQWCRC-GOSISDBHSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3ccns3)C2)ccn1 ZINC000931094344 760774201 /nfs/dbraw/zinc/77/42/01/760774201.db2.gz NCRPHWCRDQWCRC-GOSISDBHSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3ccns3)C2)ccn1 ZINC000931094344 760774208 /nfs/dbraw/zinc/77/42/08/760774208.db2.gz NCRPHWCRDQWCRC-GOSISDBHSA-N 2 1 360.527 3.074 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1 ZINC000983705459 763659356 /nfs/dbraw/zinc/65/93/56/763659356.db2.gz VCDUVHIGWSGIOW-CQAXQDJESA-N 2 1 363.933 3.226 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001034215024 766232750 /nfs/dbraw/zinc/23/27/50/766232750.db2.gz VDLAXELBGGDGAE-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001034215024 766232751 /nfs/dbraw/zinc/23/27/51/766232751.db2.gz VDLAXELBGGDGAE-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001034215024 766232753 /nfs/dbraw/zinc/23/27/53/766232753.db2.gz VDLAXELBGGDGAE-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001034215024 766232755 /nfs/dbraw/zinc/23/27/55/766232755.db2.gz VDLAXELBGGDGAE-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001034647628 766243453 /nfs/dbraw/zinc/24/34/53/766243453.db2.gz OBLPXIKZDTWCCQ-VDHUWJSZSA-N 2 1 363.933 3.197 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[NH+](C/C=C\Cl)C3)CC2)CC[N@H+]1C ZINC001039133484 766292173 /nfs/dbraw/zinc/29/21/73/766292173.db2.gz SZBCUKCRMWYARK-SBQAAMFFSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[N@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC001039133484 766292180 /nfs/dbraw/zinc/29/21/80/766292180.db2.gz SZBCUKCRMWYARK-SBQAAMFFSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[N@@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC001039133484 766292186 /nfs/dbraw/zinc/29/21/86/766292186.db2.gz SZBCUKCRMWYARK-SBQAAMFFSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013856 724381036 /nfs/dbraw/zinc/38/10/36/724381036.db2.gz JDLYOUQQVVFEMA-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP O=C([C@@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCCCC1 ZINC000265508193 257372576 /nfs/dbraw/zinc/37/25/76/257372576.db2.gz QRAOSTUGPBGFGO-LJQANCHMSA-N 2 1 352.482 3.343 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000044533100 494363668 /nfs/dbraw/zinc/36/36/68/494363668.db2.gz WNGXGNHAEBPFNW-LLVKDONJSA-N 2 1 363.246 3.482 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000044533100 494363671 /nfs/dbraw/zinc/36/36/71/494363671.db2.gz WNGXGNHAEBPFNW-LLVKDONJSA-N 2 1 363.246 3.482 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567898802 505570614 /nfs/dbraw/zinc/57/06/14/505570614.db2.gz BPCCRYQEKQEUOI-ZIAGYGMSSA-N 2 1 366.431 3.414 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848640 503739602 /nfs/dbraw/zinc/73/96/02/503739602.db2.gz ZEEPHVXBNWQLDN-BSXFFOKHSA-N 2 1 358.448 3.175 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573610043 505577283 /nfs/dbraw/zinc/57/72/83/505577283.db2.gz HJNRCUDGLQNGBX-OKZBNKHCSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573610043 505577288 /nfs/dbraw/zinc/57/72/88/505577288.db2.gz HJNRCUDGLQNGBX-OKZBNKHCSA-N 2 1 367.896 3.261 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000567983131 505590208 /nfs/dbraw/zinc/59/02/08/505590208.db2.gz QXBFAJIOJDZQPR-XLIONFOSSA-N 2 1 371.550 3.323 20 0 FGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)n2)cc1 ZINC000573669843 505592238 /nfs/dbraw/zinc/59/22/38/505592238.db2.gz JJVZLUUBTZTWRE-ICSRJNTNSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857083 505597086 /nfs/dbraw/zinc/59/70/86/505597086.db2.gz MQHBJCMEIOINJB-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857083 505597088 /nfs/dbraw/zinc/59/70/88/505597088.db2.gz MQHBJCMEIOINJB-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(I)c1 ZINC000570857083 505597093 /nfs/dbraw/zinc/59/70/93/505597093.db2.gz MQHBJCMEIOINJB-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(I)c1 ZINC000570857083 505597098 /nfs/dbraw/zinc/59/70/98/505597098.db2.gz MQHBJCMEIOINJB-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000573729556 505606284 /nfs/dbraw/zinc/60/62/84/505606284.db2.gz IILGLUDIRCGKKQ-AOMIVXANSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000579703234 505605422 /nfs/dbraw/zinc/60/54/22/505605422.db2.gz GVXMKVCFYYKHFR-AZUAARDMSA-N 2 1 356.510 3.147 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576918169 505623565 /nfs/dbraw/zinc/62/35/65/505623565.db2.gz QBEPFPQNFJWKKG-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000576918169 505623571 /nfs/dbraw/zinc/62/35/71/505623571.db2.gz QBEPFPQNFJWKKG-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000576918169 505623577 /nfs/dbraw/zinc/62/35/77/505623577.db2.gz QBEPFPQNFJWKKG-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP Cc1ccccc1[C@H](N)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000576940633 505629788 /nfs/dbraw/zinc/62/97/88/505629788.db2.gz VDGQXKDRXMLTML-FVJLSDCUSA-N 2 1 367.493 3.243 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(c4ccccc4F)CC3)CC2)CC1 ZINC000568200233 505641532 /nfs/dbraw/zinc/64/15/32/505641532.db2.gz SGNHGXNZZGLVBF-UHFFFAOYSA-N 2 1 373.516 3.127 20 0 FGADMP CCC[N@H+](Cc1cncc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000571083657 505650117 /nfs/dbraw/zinc/65/01/17/505650117.db2.gz GQGDIVYGVLAPAL-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1cncc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000571083657 505650118 /nfs/dbraw/zinc/65/01/18/505650118.db2.gz GQGDIVYGVLAPAL-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP Cc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(Cl)c1 ZINC000579966590 505654319 /nfs/dbraw/zinc/65/43/19/505654319.db2.gz MYKYHCWHZCDPST-UHFFFAOYSA-N 2 1 359.901 3.230 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083220 505674189 /nfs/dbraw/zinc/67/41/89/505674189.db2.gz KTBJCURVHTYQJN-TZIWHRDSSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083220 505674194 /nfs/dbraw/zinc/67/41/94/505674194.db2.gz KTBJCURVHTYQJN-TZIWHRDSSA-N 2 1 368.525 3.027 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]2CCC[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075768626 493776704 /nfs/dbraw/zinc/77/67/04/493776704.db2.gz UXIOPJMGQJDCCY-RTWAWAEBSA-N 2 1 355.526 3.163 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3nc4ccccc4o3)CC2)nc(C)[nH+]1 ZINC000080967988 493803758 /nfs/dbraw/zinc/80/37/58/493803758.db2.gz MTHDFVVHWBKYSQ-UHFFFAOYSA-N 2 1 351.454 3.335 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3nc4ccccc4o3)CC2)nc(C)[nH+]1 ZINC000080967988 493803764 /nfs/dbraw/zinc/80/37/64/493803764.db2.gz MTHDFVVHWBKYSQ-UHFFFAOYSA-N 2 1 351.454 3.335 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000081130378 493838009 /nfs/dbraw/zinc/83/80/09/493838009.db2.gz YHYDXJPHYWPXLJ-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000081130378 493838011 /nfs/dbraw/zinc/83/80/11/493838011.db2.gz YHYDXJPHYWPXLJ-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]C2CCSCC2)c1)C1CCOCC1 ZINC000076399891 493885457 /nfs/dbraw/zinc/88/54/57/493885457.db2.gz HCRZSFXSSNLXBF-UHFFFAOYSA-N 2 1 364.555 3.161 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000068887154 493889338 /nfs/dbraw/zinc/88/93/38/493889338.db2.gz SGKVCCIUQJIBEK-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000069017226 493907525 /nfs/dbraw/zinc/90/75/25/493907525.db2.gz UTBQHJIHQOXGGT-OALUTQOASA-N 2 1 373.541 3.063 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000069178815 493933136 /nfs/dbraw/zinc/93/31/36/493933136.db2.gz QYJNBSMIZQVKGV-LJQANCHMSA-N 2 1 359.901 3.434 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000081634914 493935213 /nfs/dbraw/zinc/93/52/13/493935213.db2.gz WUXVACPFAXDOCX-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(Br)cc2)C1 ZINC000081634914 493935219 /nfs/dbraw/zinc/93/52/19/493935219.db2.gz WUXVACPFAXDOCX-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000081634914 493935220 /nfs/dbraw/zinc/93/52/20/493935220.db2.gz WUXVACPFAXDOCX-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000081634914 493935225 /nfs/dbraw/zinc/93/52/25/493935225.db2.gz WUXVACPFAXDOCX-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000076677808 493949460 /nfs/dbraw/zinc/94/94/60/493949460.db2.gz MSSCBVDGHLAZKA-UHFFFAOYSA-N 2 1 357.542 3.340 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)c1 ZINC000061908316 493999415 /nfs/dbraw/zinc/99/94/15/493999415.db2.gz XKLSQLMGVYXMBO-MSOLQXFVSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000061908316 493999419 /nfs/dbraw/zinc/99/94/19/493999419.db2.gz XKLSQLMGVYXMBO-MSOLQXFVSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000061908316 493999421 /nfs/dbraw/zinc/99/94/21/493999421.db2.gz XKLSQLMGVYXMBO-MSOLQXFVSA-N 2 1 360.546 3.200 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCCc2ccccc2C)CC1 ZINC000052209121 494011563 /nfs/dbraw/zinc/01/15/63/494011563.db2.gz SPWMINIPBMPSDP-UHFFFAOYSA-N 2 1 359.558 3.098 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)c1 ZINC000064226971 494107288 /nfs/dbraw/zinc/10/72/88/494107288.db2.gz YKRNHEFRVJGTRE-GOSISDBHSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000064226971 494107292 /nfs/dbraw/zinc/10/72/92/494107292.db2.gz YKRNHEFRVJGTRE-GOSISDBHSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000064226971 494107295 /nfs/dbraw/zinc/10/72/95/494107295.db2.gz YKRNHEFRVJGTRE-GOSISDBHSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000085388408 494119459 /nfs/dbraw/zinc/11/94/59/494119459.db2.gz AASLIKBWPPXGOQ-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390486 494119605 /nfs/dbraw/zinc/11/96/05/494119605.db2.gz DBOAHMRDMABLDC-CGTJXYLNSA-N 2 1 366.575 3.113 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000085402630 494121669 /nfs/dbraw/zinc/12/16/69/494121669.db2.gz DATUZIIKXQTYMO-CAOKTKFFSA-N 2 1 364.578 3.011 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000086390202 494151404 /nfs/dbraw/zinc/15/14/04/494151404.db2.gz QHXQLTIFXRQVCR-HNNXBMFYSA-N 2 1 355.486 3.025 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000086390202 494151406 /nfs/dbraw/zinc/15/14/06/494151406.db2.gz QHXQLTIFXRQVCR-HNNXBMFYSA-N 2 1 355.486 3.025 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)CC2)[nH+]1 ZINC000077811232 494184039 /nfs/dbraw/zinc/18/40/39/494184039.db2.gz SZIWHXUNLUKKAQ-GOSISDBHSA-N 2 1 373.545 3.096 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)CC2)[nH+]1 ZINC000077811232 494184041 /nfs/dbraw/zinc/18/40/41/494184041.db2.gz SZIWHXUNLUKKAQ-GOSISDBHSA-N 2 1 373.545 3.096 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000077809944 494184074 /nfs/dbraw/zinc/18/40/74/494184074.db2.gz PEOTZEWYCMBDSM-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000043239466 494279223 /nfs/dbraw/zinc/27/92/23/494279223.db2.gz QEAXDUZDOYZYHZ-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524414 494313508 /nfs/dbraw/zinc/31/35/08/494313508.db2.gz NASRNYFDTGYXDJ-QUCCMNQESA-N 2 1 366.594 3.307 20 0 FGADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)CC2 ZINC000089594959 494328318 /nfs/dbraw/zinc/32/83/18/494328318.db2.gz YYZHMVKAEGTVJP-FQEVSTJZSA-N 2 1 358.526 3.177 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000073428386 494370050 /nfs/dbraw/zinc/37/00/50/494370050.db2.gz NOUMBLVUZZGDNE-LJQANCHMSA-N 2 1 372.557 3.212 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000073494060 494378612 /nfs/dbraw/zinc/37/86/12/494378612.db2.gz KODAYGCKTPINCV-VTHDOGFWSA-N 2 1 372.557 3.166 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)c1 ZINC000571372900 505717486 /nfs/dbraw/zinc/71/74/86/505717486.db2.gz UXFOUNGYOQNEEE-LJQANCHMSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000571372900 505717487 /nfs/dbraw/zinc/71/74/87/505717487.db2.gz UXFOUNGYOQNEEE-LJQANCHMSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000571372900 505717491 /nfs/dbraw/zinc/71/74/91/505717491.db2.gz UXFOUNGYOQNEEE-LJQANCHMSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000044907385 494388219 /nfs/dbraw/zinc/38/82/19/494388219.db2.gz RGQPCUFTIVTNAD-RZUBCFFCSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000044907385 494388225 /nfs/dbraw/zinc/38/82/25/494388225.db2.gz RGQPCUFTIVTNAD-RZUBCFFCSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000044907385 494388228 /nfs/dbraw/zinc/38/82/28/494388228.db2.gz RGQPCUFTIVTNAD-RZUBCFFCSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(F)cc1 ZINC000073617533 494399394 /nfs/dbraw/zinc/39/93/94/494399394.db2.gz WIVKCCKPKVHBMN-LAUBAEHRSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000073617533 494399397 /nfs/dbraw/zinc/39/93/97/494399397.db2.gz WIVKCCKPKVHBMN-LAUBAEHRSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617533 494399404 /nfs/dbraw/zinc/39/94/04/494399404.db2.gz WIVKCCKPKVHBMN-LAUBAEHRSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617533 494399407 /nfs/dbraw/zinc/39/94/07/494399407.db2.gz WIVKCCKPKVHBMN-LAUBAEHRSA-N 2 1 369.484 3.037 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000079096907 494404082 /nfs/dbraw/zinc/40/40/82/494404082.db2.gz UZDPUEQGHSWDEX-NRFANRHFSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000073800485 494431061 /nfs/dbraw/zinc/43/10/61/494431061.db2.gz GQCPGPHIUOZYOZ-UTKZUKDTSA-N 2 1 373.541 3.069 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCc1ccncc1 ZINC000577394415 505720218 /nfs/dbraw/zinc/72/02/18/505720218.db2.gz AGRDBKXQBBWWBF-QFIPXVFZSA-N 2 1 367.493 3.245 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCc1ccncc1 ZINC000577394415 505720220 /nfs/dbraw/zinc/72/02/20/505720220.db2.gz AGRDBKXQBBWWBF-QFIPXVFZSA-N 2 1 367.493 3.245 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC1 ZINC000079577745 494484723 /nfs/dbraw/zinc/48/47/23/494484723.db2.gz CNLWKDMCBJUXTF-UHFFFAOYSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000079577745 494484730 /nfs/dbraw/zinc/48/47/30/494484730.db2.gz CNLWKDMCBJUXTF-UHFFFAOYSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000079577745 494484734 /nfs/dbraw/zinc/48/47/34/494484734.db2.gz CNLWKDMCBJUXTF-UHFFFAOYSA-N 2 1 374.573 3.270 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cnc(-c2ccsc2)s1 ZINC000568565988 505723623 /nfs/dbraw/zinc/72/36/23/505723623.db2.gz ZXONVUSMAMHZCS-UHFFFAOYSA-N 2 1 364.584 3.329 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067282513 494507298 /nfs/dbraw/zinc/50/72/98/494507298.db2.gz UWXPZGZPDURBET-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP Cc1cccc(C)c1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000091060243 494521259 /nfs/dbraw/zinc/52/12/59/494521259.db2.gz DLUJCYRLRUJWDH-NRFANRHFSA-N 2 1 365.521 3.291 20 0 FGADMP COc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000091333548 494583451 /nfs/dbraw/zinc/58/34/51/494583451.db2.gz AMIBHMKXAGCKQX-GHTZIAJQSA-N 2 1 373.541 3.104 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080166452 494621854 /nfs/dbraw/zinc/62/18/54/494621854.db2.gz ONZNUTMCLJUZJK-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000067734617 494627646 /nfs/dbraw/zinc/62/76/46/494627646.db2.gz DENXUZULTMDHOE-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4c3ccn4C)CC2)CC1 ZINC000580326587 505733092 /nfs/dbraw/zinc/73/30/92/505733092.db2.gz JTHURHDUJNZKRO-UHFFFAOYSA-N 2 1 368.525 3.313 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000092564288 494670519 /nfs/dbraw/zinc/67/05/19/494670519.db2.gz PVUVFXZGRKROEE-LPOKXYRGSA-N 2 1 368.562 3.366 20 0 FGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000075022651 494676193 /nfs/dbraw/zinc/67/61/93/494676193.db2.gz KLXIDJYUNXKABF-UTKZUKDTSA-N 2 1 357.542 3.196 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000568608524 505736018 /nfs/dbraw/zinc/73/60/18/505736018.db2.gz DLYUKVOIVNGIPG-RDJZCZTQSA-N 2 1 364.559 3.092 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000126305708 494704598 /nfs/dbraw/zinc/70/45/98/494704598.db2.gz IZRBHHUVADQCQD-MOPGFXCFSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000126305708 494704603 /nfs/dbraw/zinc/70/46/03/494704603.db2.gz IZRBHHUVADQCQD-MOPGFXCFSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000126305708 494704612 /nfs/dbraw/zinc/70/46/12/494704612.db2.gz IZRBHHUVADQCQD-MOPGFXCFSA-N 2 1 364.578 3.299 20 0 FGADMP CCCCNC(=O)[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574281453 505737083 /nfs/dbraw/zinc/73/70/83/505737083.db2.gz UCVCPZPFJSYSRX-IAGOWNOFSA-N 2 1 351.560 3.115 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473116 494715015 /nfs/dbraw/zinc/71/50/15/494715015.db2.gz ZJGAPQMBNSAJCK-HXUWFJFHSA-N 2 1 369.553 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473116 494715017 /nfs/dbraw/zinc/71/50/17/494715017.db2.gz ZJGAPQMBNSAJCK-HXUWFJFHSA-N 2 1 369.553 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473116 494715022 /nfs/dbraw/zinc/71/50/22/494715022.db2.gz ZJGAPQMBNSAJCK-HXUWFJFHSA-N 2 1 369.553 3.475 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000108573499 494741703 /nfs/dbraw/zinc/74/17/03/494741703.db2.gz RUYSKHHQBDZYHN-NRFANRHFSA-N 2 1 372.557 3.060 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574288415 505739448 /nfs/dbraw/zinc/73/94/48/505739448.db2.gz NBLPMMQSMXOIIB-UHFFFAOYSA-N 3 1 372.557 3.340 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821546 494762901 /nfs/dbraw/zinc/76/29/01/494762901.db2.gz OVDDJOGWXNWGFL-SFHVURJKSA-N 2 1 358.530 3.021 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+](C(C)C)CC3)c2c1C ZINC000026712247 494835096 /nfs/dbraw/zinc/83/50/96/494835096.db2.gz AHKGDOOAAPLFOW-UHFFFAOYSA-N 2 1 373.570 3.434 20 0 FGADMP COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc12 ZINC000093148269 494835093 /nfs/dbraw/zinc/83/50/93/494835093.db2.gz QOGVYAJUTCJQHJ-FQEVSTJZSA-N 2 1 367.537 3.450 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC(F)F)CC3CCC3)CC2)CC1 ZINC000568647578 505745091 /nfs/dbraw/zinc/74/50/91/505745091.db2.gz SVBKGNPIQVRTRD-UHFFFAOYSA-N 2 1 371.516 3.077 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000132302911 494854426 /nfs/dbraw/zinc/85/44/26/494854426.db2.gz VUQMAFUTWXSKJW-JOCHJYFZSA-N 2 1 351.538 3.484 20 0 FGADMP CCOC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093419260 494890601 /nfs/dbraw/zinc/89/06/01/494890601.db2.gz UTZJAYZTACGFRE-IBGZPJMESA-N 2 1 359.558 3.466 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000121976862 494902517 /nfs/dbraw/zinc/90/25/17/494902517.db2.gz GXISAXRZOUXRAM-OAQYLSRUSA-N 2 1 368.525 3.284 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639043 494907385 /nfs/dbraw/zinc/90/73/85/494907385.db2.gz JTPVYPCBDTUFGE-CRAIPNDOSA-N 2 1 360.498 3.173 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639043 494907386 /nfs/dbraw/zinc/90/73/86/494907386.db2.gz JTPVYPCBDTUFGE-CRAIPNDOSA-N 2 1 360.498 3.173 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639043 494907387 /nfs/dbraw/zinc/90/73/87/494907387.db2.gz JTPVYPCBDTUFGE-CRAIPNDOSA-N 2 1 360.498 3.173 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC(=O)C3CC3)c(OC)c2)[C@H](C)C1 ZINC000093639043 494907388 /nfs/dbraw/zinc/90/73/88/494907388.db2.gz JTPVYPCBDTUFGE-CRAIPNDOSA-N 2 1 360.498 3.173 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1)C1CC1 ZINC000127223486 494912900 /nfs/dbraw/zinc/91/29/00/494912900.db2.gz RUCYRSGFSGLSBM-IBGZPJMESA-N 2 1 355.526 3.229 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000132789476 494924391 /nfs/dbraw/zinc/92/43/91/494924391.db2.gz LKLIJFPCUYMGDE-UHFFFAOYSA-N 3 1 358.574 3.179 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1N(C)C ZINC000093941541 494937430 /nfs/dbraw/zinc/93/74/30/494937430.db2.gz NXLXHGDEZKHBHT-GOSISDBHSA-N 2 1 353.510 3.436 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C[NH+]1CCCCC1 ZINC000127430537 494943914 /nfs/dbraw/zinc/94/39/14/494943914.db2.gz JLFLRDVQBONTJF-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1ccc(F)c(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000574365919 505756070 /nfs/dbraw/zinc/75/60/70/505756070.db2.gz KQRKDJRNMKNLQU-ROUUACIJSA-N 2 1 364.505 3.224 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000098144815 495061331 /nfs/dbraw/zinc/06/13/31/495061331.db2.gz UWAFUFBYDWVIGR-FUHWJXTLSA-N 2 1 367.331 3.119 20 0 FGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000128294108 495074604 /nfs/dbraw/zinc/07/46/04/495074604.db2.gz RDTVCFYECKYJJO-MRXNPFEDSA-N 2 1 355.473 3.275 20 0 FGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593175 495083036 /nfs/dbraw/zinc/08/30/36/495083036.db2.gz XZIQOTUBROUOBS-HUUCEWRRSA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593175 495083039 /nfs/dbraw/zinc/08/30/39/495083039.db2.gz XZIQOTUBROUOBS-HUUCEWRRSA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCC(F)(F)F ZINC000101593175 495083044 /nfs/dbraw/zinc/08/30/44/495083044.db2.gz XZIQOTUBROUOBS-HUUCEWRRSA-N 2 1 358.404 3.353 20 0 FGADMP c1[nH+]cn2ccc(-c3noc([C@@H]4CCC[N@H+](Cc5cccnc5)C4)n3)cc12 ZINC000574394052 505762918 /nfs/dbraw/zinc/76/29/18/505762918.db2.gz LPTJMVMESVOWJC-QGZVFWFLSA-N 2 1 360.421 3.159 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1OCC ZINC000128657857 495130970 /nfs/dbraw/zinc/13/09/70/495130970.db2.gz NCZPZGJEXOXYLK-GOSISDBHSA-N 2 1 363.546 3.162 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)c1 ZINC000128780816 495148787 /nfs/dbraw/zinc/14/87/87/495148787.db2.gz NLUJPVDTLALLRT-OAQYLSRUSA-N 2 1 374.573 3.306 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000128780816 495148790 /nfs/dbraw/zinc/14/87/90/495148790.db2.gz NLUJPVDTLALLRT-OAQYLSRUSA-N 2 1 374.573 3.306 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000128780816 495148793 /nfs/dbraw/zinc/14/87/93/495148793.db2.gz NLUJPVDTLALLRT-OAQYLSRUSA-N 2 1 374.573 3.306 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000119386359 495156370 /nfs/dbraw/zinc/15/63/70/495156370.db2.gz PKVVDRNBFYQCEN-QUCCMNQESA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000123635645 495164400 /nfs/dbraw/zinc/16/44/00/495164400.db2.gz IIYULRSHXGQYSZ-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000123635645 495164404 /nfs/dbraw/zinc/16/44/04/495164404.db2.gz IIYULRSHXGQYSZ-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123635645 495164408 /nfs/dbraw/zinc/16/44/08/495164408.db2.gz IIYULRSHXGQYSZ-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123635645 495164411 /nfs/dbraw/zinc/16/44/11/495164411.db2.gz IIYULRSHXGQYSZ-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)N1CCCCCC1 ZINC000129051623 495188556 /nfs/dbraw/zinc/18/85/56/495188556.db2.gz SWOZLGUVMJSFAS-UHFFFAOYSA-N 2 1 357.542 3.076 20 0 FGADMP C[C@@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570516 495193072 /nfs/dbraw/zinc/19/30/72/495193072.db2.gz QOMPEDAKZGBBMK-UYAOXDASSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320472 506411191 /nfs/dbraw/zinc/41/11/91/506411191.db2.gz ZPKGWXQMDBTIPS-QAPCUYQASA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320472 506411195 /nfs/dbraw/zinc/41/11/95/506411195.db2.gz ZPKGWXQMDBTIPS-QAPCUYQASA-N 2 1 351.922 3.179 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129225742 495213750 /nfs/dbraw/zinc/21/37/50/495213750.db2.gz QQZGQVWTADPYSW-QINHECLXSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129225742 495213752 /nfs/dbraw/zinc/21/37/52/495213752.db2.gz QQZGQVWTADPYSW-QINHECLXSA-N 2 1 352.482 3.152 20 0 FGADMP OC[C@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123982786 495216059 /nfs/dbraw/zinc/21/60/59/495216059.db2.gz XFIPKNURJGHMEF-NRFANRHFSA-N 2 1 363.505 3.326 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccsc1 ZINC000119718843 495226055 /nfs/dbraw/zinc/22/60/55/495226055.db2.gz RPMAIBMJRYADFO-YXJHDRRASA-N 2 1 364.559 3.055 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129571105 495263719 /nfs/dbraw/zinc/26/37/19/495263719.db2.gz DTBGMHUSOJUVBT-KNQAVFIVSA-N 2 1 370.541 3.141 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000119895850 495263878 /nfs/dbraw/zinc/26/38/78/495263878.db2.gz YGEFDYIJWQHROX-FQEVSTJZSA-N 2 1 369.513 3.060 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113591635 495318270 /nfs/dbraw/zinc/31/82/70/495318270.db2.gz BHUMMHCDNUHXEE-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000124955661 495370206 /nfs/dbraw/zinc/37/02/06/495370206.db2.gz HBDQEYFGMBNTIK-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccs1 ZINC000125004729 495376431 /nfs/dbraw/zinc/37/64/31/495376431.db2.gz NTHHKPFQDOPRHE-MRXNPFEDSA-N 2 1 373.522 3.260 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117460 495393711 /nfs/dbraw/zinc/39/37/11/495393711.db2.gz ORWSHANNEACSCJ-APWZRJJASA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117460 495393715 /nfs/dbraw/zinc/39/37/15/495393715.db2.gz ORWSHANNEACSCJ-APWZRJJASA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117460 495393720 /nfs/dbraw/zinc/39/37/20/495393720.db2.gz ORWSHANNEACSCJ-APWZRJJASA-N 2 1 362.493 3.144 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000137075324 495421658 /nfs/dbraw/zinc/42/16/58/495421658.db2.gz CRELRSIYOWRVOD-UHFFFAOYSA-N 2 1 357.420 3.496 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000130738100 495437640 /nfs/dbraw/zinc/43/76/40/495437640.db2.gz LJSLIOMMYJUSBT-MOPGFXCFSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000130738100 495437644 /nfs/dbraw/zinc/43/76/44/495437644.db2.gz LJSLIOMMYJUSBT-MOPGFXCFSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)C1 ZINC000130738100 495437649 /nfs/dbraw/zinc/43/76/49/495437649.db2.gz LJSLIOMMYJUSBT-MOPGFXCFSA-N 2 1 364.578 3.013 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513838 495460053 /nfs/dbraw/zinc/46/00/53/495460053.db2.gz ZUBJBAJQAGEWLB-CTNGQTDRSA-N 2 1 370.541 3.140 20 0 FGADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530843 495464240 /nfs/dbraw/zinc/46/42/40/495464240.db2.gz RZUMEAINVLIESG-CTNGQTDRSA-N 2 1 370.541 3.140 20 0 FGADMP Cc1ccnc(N2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)c1 ZINC000120908165 495483131 /nfs/dbraw/zinc/48/31/31/495483131.db2.gz PIXFLPGUHVNRIC-UHFFFAOYSA-N 2 1 351.429 3.241 20 0 FGADMP Cc1sc2nc([C@@H](C)N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)nc(N)c2c1C ZINC000140023631 495486918 /nfs/dbraw/zinc/48/69/18/495486918.db2.gz ITDMPWZVAYNHHQ-BPLDGKMQSA-N 2 1 359.543 3.367 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106789520 495496550 /nfs/dbraw/zinc/49/65/50/495496550.db2.gz IJLRQKOTLASMPU-LJQANCHMSA-N 2 1 373.541 3.154 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCCCn2cc[nH+]c2C)[NH+]2CCCC2)o1 ZINC000176230906 495555824 /nfs/dbraw/zinc/55/58/24/495555824.db2.gz LUQMJDYLFLDNTH-SFHVURJKSA-N 2 1 373.501 3.009 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154266447 495561378 /nfs/dbraw/zinc/56/13/78/495561378.db2.gz QHWSHYALYNUSKE-QAPCUYQASA-N 2 1 355.482 3.051 20 0 FGADMP CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000176254801 495566199 /nfs/dbraw/zinc/56/61/99/495566199.db2.gz OXUVBVBRLRWNJY-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182475995 495577560 /nfs/dbraw/zinc/57/75/60/495577560.db2.gz JZYYBVRUNYCNCT-KSZLIROESA-N 2 1 366.571 3.077 20 0 FGADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182475995 495577564 /nfs/dbraw/zinc/57/75/64/495577564.db2.gz JZYYBVRUNYCNCT-KSZLIROESA-N 2 1 366.571 3.077 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2cc(O)cc(F)c2)C[C@H](C)O1 ZINC000185482178 495594483 /nfs/dbraw/zinc/59/44/83/495594483.db2.gz IGXNUQWKOVQLNN-IYBDPMFKSA-N 2 1 358.457 3.430 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474782 495606679 /nfs/dbraw/zinc/60/66/79/495606679.db2.gz LCPSMYLBQVKGAY-SFTDATJTSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474782 495606680 /nfs/dbraw/zinc/60/66/80/495606680.db2.gz LCPSMYLBQVKGAY-SFTDATJTSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474782 495606682 /nfs/dbraw/zinc/60/66/82/495606682.db2.gz LCPSMYLBQVKGAY-SFTDATJTSA-N 2 1 370.541 3.092 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000173618853 495617482 /nfs/dbraw/zinc/61/74/82/495617482.db2.gz SQZKPFNKEMHJMJ-LSDHHAIUSA-N 2 1 351.922 3.368 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000154448376 495619994 /nfs/dbraw/zinc/61/99/94/495619994.db2.gz KSUIBSBJEYRNDO-SFHVURJKSA-N 2 1 351.535 3.370 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000182588553 495627230 /nfs/dbraw/zinc/62/72/30/495627230.db2.gz PPRKSXJSNIDZRC-IEBWSBKVSA-N 2 1 364.578 3.155 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)CCC2 ZINC000154494520 495635243 /nfs/dbraw/zinc/63/52/43/495635243.db2.gz CFXBJYSEYVPCFX-MRXNPFEDSA-N 2 1 350.576 3.090 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173752403 495677099 /nfs/dbraw/zinc/67/70/99/495677099.db2.gz CYYFHSDNLMZFTH-FXAWDEMLSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173752403 495677102 /nfs/dbraw/zinc/67/71/02/495677102.db2.gz CYYFHSDNLMZFTH-FXAWDEMLSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000173752403 495677106 /nfs/dbraw/zinc/67/71/06/495677106.db2.gz CYYFHSDNLMZFTH-FXAWDEMLSA-N 2 1 360.546 3.151 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711857 495691994 /nfs/dbraw/zinc/69/19/94/495691994.db2.gz YDHCSOVLRDVXST-KBPBESRZSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711857 495691999 /nfs/dbraw/zinc/69/19/99/495691999.db2.gz YDHCSOVLRDVXST-KBPBESRZSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753161 495711087 /nfs/dbraw/zinc/71/10/87/495711087.db2.gz VSOHFFBQGVUGLJ-IRXDYDNUSA-N 2 1 373.545 3.179 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753161 495711092 /nfs/dbraw/zinc/71/10/92/495711092.db2.gz VSOHFFBQGVUGLJ-IRXDYDNUSA-N 2 1 373.545 3.179 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753161 495711100 /nfs/dbraw/zinc/71/11/00/495711100.db2.gz VSOHFFBQGVUGLJ-IRXDYDNUSA-N 2 1 373.545 3.179 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146698 495754362 /nfs/dbraw/zinc/75/43/62/495754362.db2.gz FKONCEPPNUSPAP-DLBZAZTESA-N 2 1 352.906 3.030 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146698 495754367 /nfs/dbraw/zinc/75/43/67/495754367.db2.gz FKONCEPPNUSPAP-DLBZAZTESA-N 2 1 352.906 3.030 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883593 495760663 /nfs/dbraw/zinc/76/06/63/495760663.db2.gz GBGCRBHVIVPVBJ-QGZVFWFLSA-N 2 1 364.497 3.353 20 0 FGADMP C[C@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182937296 495765020 /nfs/dbraw/zinc/76/50/20/495765020.db2.gz XUOJHYFMARBGIZ-PKOBYXMFSA-N 2 1 364.578 3.013 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000183152989 495857931 /nfs/dbraw/zinc/85/79/31/495857931.db2.gz WMLGQKNWNRYRHO-WWNPGLIZSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000183187162 495873207 /nfs/dbraw/zinc/87/32/07/495873207.db2.gz ILXRSRDEWYLDFF-JFIYKMOQSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000183187162 495873210 /nfs/dbraw/zinc/87/32/10/495873210.db2.gz ILXRSRDEWYLDFF-JFIYKMOQSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1cccc(CO)c1 ZINC000183234418 495891020 /nfs/dbraw/zinc/89/10/20/495891020.db2.gz CTCGVJCBLKYKLV-MSOLQXFVSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1cccc(CO)c1 ZINC000183234418 495891022 /nfs/dbraw/zinc/89/10/22/495891022.db2.gz CTCGVJCBLKYKLV-MSOLQXFVSA-N 2 1 354.494 3.250 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183351934 495943106 /nfs/dbraw/zinc/94/31/06/495943106.db2.gz PRSCXPDPSQKKKM-JOCHJYFZSA-N 2 1 370.516 3.317 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000177181093 495963413 /nfs/dbraw/zinc/96/34/13/495963413.db2.gz SPFIRWAUIHVUHM-NQIIRXRSSA-N 2 1 372.557 3.069 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccccc2)c2ccccn2)CC1 ZINC000180452540 496002018 /nfs/dbraw/zinc/00/20/18/496002018.db2.gz YKMQEXVHOBMONQ-JOCHJYFZSA-N 2 1 352.526 3.034 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183556078 496029436 /nfs/dbraw/zinc/02/94/36/496029436.db2.gz LQLRPHSHXJMZTM-JOCHJYFZSA-N 2 1 370.516 3.173 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)c1ccc(F)cn1 ZINC000183569185 496034329 /nfs/dbraw/zinc/03/43/29/496034329.db2.gz HZVRXMSSSKQVAH-TZIWHRDSSA-N 2 1 357.473 3.137 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000571815028 505819662 /nfs/dbraw/zinc/81/96/62/505819662.db2.gz OUNRGADKHVGYDF-UYAOXDASSA-N 2 1 365.521 3.218 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)c2ccccc2CC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000571815027 505819863 /nfs/dbraw/zinc/81/98/63/505819863.db2.gz OUNRGADKHVGYDF-QUCCMNQESA-N 2 1 365.521 3.218 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000155907820 496103539 /nfs/dbraw/zinc/10/35/39/496103539.db2.gz KYFDSPCCFQIITQ-INIZCTEOSA-N 2 1 362.481 3.290 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000571848916 505827625 /nfs/dbraw/zinc/82/76/25/505827625.db2.gz VXRGKNXVPSUQJA-SVFBPWRDSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571848916 505827628 /nfs/dbraw/zinc/82/76/28/505827628.db2.gz VXRGKNXVPSUQJA-SVFBPWRDSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000571848916 505827630 /nfs/dbraw/zinc/82/76/30/505827630.db2.gz VXRGKNXVPSUQJA-SVFBPWRDSA-N 2 1 374.573 3.459 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000156249021 496197656 /nfs/dbraw/zinc/19/76/56/496197656.db2.gz DWTZJFFBMNIXOH-MOPGFXCFSA-N 2 1 357.542 3.073 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152604707 496200224 /nfs/dbraw/zinc/20/02/24/496200224.db2.gz HHCIVHHJYNDNFI-OALUTQOASA-N 2 1 371.550 3.304 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152604707 496200230 /nfs/dbraw/zinc/20/02/30/496200230.db2.gz HHCIVHHJYNDNFI-OALUTQOASA-N 2 1 371.550 3.304 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4c3cnn4C)CC2)cs1 ZINC000161759392 496233454 /nfs/dbraw/zinc/23/34/54/496233454.db2.gz KVONXCACVKRDOC-GOSISDBHSA-N 2 1 359.543 3.064 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000187025053 496256751 /nfs/dbraw/zinc/25/67/51/496256751.db2.gz IWXQLZLNYNEWEY-PBHICJAKSA-N 2 1 368.543 3.070 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000187025053 496256755 /nfs/dbraw/zinc/25/67/55/496256755.db2.gz IWXQLZLNYNEWEY-PBHICJAKSA-N 2 1 368.543 3.070 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000161958754 496270560 /nfs/dbraw/zinc/27/05/60/496270560.db2.gz DFMOHMURHJYFRJ-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000178034123 496296315 /nfs/dbraw/zinc/29/63/15/496296315.db2.gz OXAHTTPRAWSVII-BBWFWOEESA-N 2 1 350.503 3.244 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1)[NH+]1CCOCC1 ZINC000184234523 496298689 /nfs/dbraw/zinc/29/86/89/496298689.db2.gz QFTDLIAAWPDAGI-QGZVFWFLSA-N 2 1 359.514 3.318 20 0 FGADMP Cc1cc(Br)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000181202710 496309939 /nfs/dbraw/zinc/30/99/39/496309939.db2.gz BDWDBZKOZZCKLT-UHFFFAOYSA-N 2 1 368.363 3.215 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162237978 496320545 /nfs/dbraw/zinc/32/05/45/496320545.db2.gz WBGRLVZPKLEXFG-IEBWSBKVSA-N 2 1 358.530 3.071 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178087995 496324243 /nfs/dbraw/zinc/32/42/43/496324243.db2.gz NWDORADZXZNPHO-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1)[NH+]1CCCCC1 ZINC000184338263 496340561 /nfs/dbraw/zinc/34/05/61/496340561.db2.gz DWVQSLOIDZDKHI-IBGZPJMESA-N 2 1 373.541 3.042 20 0 FGADMP C[C@H]1C[C@@H](N(C)CC(=O)NCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000156983757 496378386 /nfs/dbraw/zinc/37/83/86/496378386.db2.gz XSYVELWRNNKAKC-HKUYNNGSSA-N 2 1 371.550 3.349 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000175465594 496403547 /nfs/dbraw/zinc/40/35/47/496403547.db2.gz FMFXOIGJDIRYQY-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000175465594 496403553 /nfs/dbraw/zinc/40/35/53/496403553.db2.gz FMFXOIGJDIRYQY-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000175465594 496403561 /nfs/dbraw/zinc/40/35/61/496403561.db2.gz FMFXOIGJDIRYQY-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357097 496408551 /nfs/dbraw/zinc/40/85/51/496408551.db2.gz SYSKEFJKEZYGEK-VQIMIIECSA-N 2 1 355.526 3.338 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000178330755 496414944 /nfs/dbraw/zinc/41/49/44/496414944.db2.gz OCXCZTFLWSUDJF-DYESRHJHSA-N 2 1 356.514 3.188 20 0 FGADMP CC(C)(C)C1CCC(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000578022159 505842947 /nfs/dbraw/zinc/84/29/47/505842947.db2.gz SFRNMCRGBLFAHS-NBDWZHNGSA-N 2 1 363.590 3.419 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000162858035 496424384 /nfs/dbraw/zinc/42/43/84/496424384.db2.gz BSYUOYSJBOMWBN-OTWHNJEPSA-N 2 1 373.541 3.353 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000157210711 496428857 /nfs/dbraw/zinc/42/88/57/496428857.db2.gz ZRNBHDASSBRXBS-NRFANRHFSA-N 2 1 372.557 3.060 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638729 496477810 /nfs/dbraw/zinc/47/78/10/496477810.db2.gz FFRNQGNKPPUMRO-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638729 496477813 /nfs/dbraw/zinc/47/78/13/496477813.db2.gz FFRNQGNKPPUMRO-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638729 496477815 /nfs/dbraw/zinc/47/78/15/496477815.db2.gz FFRNQGNKPPUMRO-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000580827915 505847764 /nfs/dbraw/zinc/84/77/64/505847764.db2.gz FKVZZVQMFXPCPQ-VCBZYWHSSA-N 2 1 350.528 3.052 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000157638862 496520579 /nfs/dbraw/zinc/52/05/79/496520579.db2.gz JICNIMOLSNKZBL-NRFANRHFSA-N 2 1 360.448 3.295 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCCO4)CC2)[nH+]c1 ZINC000163497430 496523665 /nfs/dbraw/zinc/52/36/65/496523665.db2.gz WIBQEHAHKKMDFD-MRXNPFEDSA-N 2 1 353.466 3.481 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)oc1C ZINC000181740258 496524871 /nfs/dbraw/zinc/52/48/71/496524871.db2.gz PYJRQFYIOCFXEB-RLLQIKCJSA-N 2 1 361.530 3.297 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccccc2)cc1 ZINC000178653541 496530623 /nfs/dbraw/zinc/53/06/23/496530623.db2.gz OIFAOTUPEJTXHH-VGSWGCGISA-N 2 1 365.477 3.409 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000175787925 496545763 /nfs/dbraw/zinc/54/57/63/496545763.db2.gz KLUIKEBJNSNQCT-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CCCC1 ZINC000178787952 496570692 /nfs/dbraw/zinc/57/06/92/496570692.db2.gz FFESBEFZUPQGLL-UHFFFAOYSA-N 2 1 370.324 3.346 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000163930336 496571706 /nfs/dbraw/zinc/57/17/06/496571706.db2.gz SDTNHCVYSHHKKI-GOSISDBHSA-N 2 1 358.555 3.392 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000164019881 496580498 /nfs/dbraw/zinc/58/04/98/496580498.db2.gz ZSMRGIFJBCPFGZ-UHFFFAOYSA-N 2 1 357.885 3.147 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)cc1 ZINC000164019881 496580506 /nfs/dbraw/zinc/58/05/06/496580506.db2.gz ZSMRGIFJBCPFGZ-UHFFFAOYSA-N 2 1 357.885 3.147 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000181921205 496600025 /nfs/dbraw/zinc/60/00/25/496600025.db2.gz LYALHOLWJVENHF-KRWDZBQOSA-N 2 1 367.493 3.328 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3COc4ccccc4C3)CC2)cc1 ZINC000164314410 496603731 /nfs/dbraw/zinc/60/37/31/496603731.db2.gz NBWCMTDABILGCH-OAQYLSRUSA-N 2 1 354.469 3.426 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158089608 496625177 /nfs/dbraw/zinc/62/51/77/496625177.db2.gz OCXIYGRTKZUUJX-RDJZCZTQSA-N 2 1 351.922 3.008 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000185034006 496630287 /nfs/dbraw/zinc/63/02/87/496630287.db2.gz PHAFUTZSPNYINX-MOPGFXCFSA-N 2 1 366.571 3.401 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000165149411 496649869 /nfs/dbraw/zinc/64/98/69/496649869.db2.gz CRPLAGQHQXTCQT-RBUKOAKNSA-N 2 1 369.534 3.106 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000165149411 496649876 /nfs/dbraw/zinc/64/98/76/496649876.db2.gz CRPLAGQHQXTCQT-RBUKOAKNSA-N 2 1 369.534 3.106 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH+](C)C3CC3)cc2)C1 ZINC000185125314 496671625 /nfs/dbraw/zinc/67/16/25/496671625.db2.gz BUSGOBADEISDLW-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[N@H+](C)C3CC3)cc2)C1 ZINC000185125314 496671631 /nfs/dbraw/zinc/67/16/31/496671631.db2.gz BUSGOBADEISDLW-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[N@@H+](C)C3CC3)cc2)C1 ZINC000185125314 496671637 /nfs/dbraw/zinc/67/16/37/496671637.db2.gz BUSGOBADEISDLW-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@H](C)C1 ZINC000166339184 496683994 /nfs/dbraw/zinc/68/39/94/496683994.db2.gz BRMFYPAEARAAQQ-DNVCBOLYSA-N 2 1 359.514 3.438 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166558995 496688999 /nfs/dbraw/zinc/68/89/99/496688999.db2.gz GPZIRHNZOPXUMP-APWZRJJASA-N 2 1 364.497 3.234 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000188195811 496713966 /nfs/dbraw/zinc/71/39/66/496713966.db2.gz YDANRJTYZKXVKF-CRAIPNDOSA-N 2 1 369.347 3.207 20 0 FGADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182257553 496721679 /nfs/dbraw/zinc/72/16/79/496721679.db2.gz MKSAHVGGHYTLSY-PXNSSMCTSA-N 2 1 354.494 3.421 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182258902 496721992 /nfs/dbraw/zinc/72/19/92/496721992.db2.gz OIGOEJIPSGCMMQ-VXKWHMMOSA-N 2 1 366.505 3.429 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260821 496722496 /nfs/dbraw/zinc/72/24/96/496722496.db2.gz PAFQSMGGCYFXGK-JXFKEZNVSA-N 2 1 371.500 3.309 20 0 FGADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182351880 496731025 /nfs/dbraw/zinc/73/10/25/496731025.db2.gz DSTWPSHZINTRRL-DSKINZAPSA-N 2 1 372.557 3.242 20 0 FGADMP CS[C@@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731156 /nfs/dbraw/zinc/73/11/56/496731156.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 2 1 372.644 3.438 20 0 FGADMP CS[C@@H]1CCCC[N@@H+](CC2(C[NH+]3CCCC[C@H](SC)C3)COC2)C1 ZINC000182354674 496731157 /nfs/dbraw/zinc/73/11/57/496731157.db2.gz CAIDHYHLEMBAEU-HDICACEKSA-N 2 1 372.644 3.438 20 0 FGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cnn1C(C)(C)C ZINC000191383648 496744988 /nfs/dbraw/zinc/74/49/88/496744988.db2.gz AOYVFCTUUPGYEF-YSSFQJQWSA-N 2 1 362.562 3.365 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268710891 496763944 /nfs/dbraw/zinc/76/39/44/496763944.db2.gz DPBVGQFUWSSRLW-AWEZNQCLSA-N 2 1 360.470 3.210 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)CCCC1 ZINC000268757889 496776158 /nfs/dbraw/zinc/77/61/58/496776158.db2.gz YJFFRNPMGFQIRJ-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268785885 496785899 /nfs/dbraw/zinc/78/58/99/496785899.db2.gz CQOJXYHRGUDSRT-DYESRHJHSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268785885 496785906 /nfs/dbraw/zinc/78/59/06/496785906.db2.gz CQOJXYHRGUDSRT-DYESRHJHSA-N 2 1 351.494 3.189 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000191501684 496786174 /nfs/dbraw/zinc/78/61/74/496786174.db2.gz FTUGWWFJGJUQBH-QGZVFWFLSA-N 2 1 354.498 3.135 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCc2ccccc21 ZINC000191501684 496786178 /nfs/dbraw/zinc/78/61/78/496786178.db2.gz FTUGWWFJGJUQBH-QGZVFWFLSA-N 2 1 354.498 3.135 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccccc1I ZINC000268801656 496790649 /nfs/dbraw/zinc/79/06/49/496790649.db2.gz JNVQPAHPPXAORT-NSHDSACASA-N 2 1 355.223 3.147 20 0 FGADMP C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268808390 496791913 /nfs/dbraw/zinc/79/19/13/496791913.db2.gz JZFQGAAGZOKWHN-INIZCTEOSA-N 2 1 363.571 3.084 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268870026 496810604 /nfs/dbraw/zinc/81/06/04/496810604.db2.gz LGDQLGYGBRKSAA-STQMWFEESA-N 2 1 371.453 3.175 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)nc12 ZINC000273492689 496821903 /nfs/dbraw/zinc/82/19/03/496821903.db2.gz XDVNDQODGWXBFI-ZFWWWQNUSA-N 2 1 365.319 3.020 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000191588283 496822700 /nfs/dbraw/zinc/82/27/00/496822700.db2.gz YCSUQKVYEBKFJE-HSZRJFAPSA-N 2 1 370.512 3.334 20 0 FGADMP COc1cccc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000268916121 496822766 /nfs/dbraw/zinc/82/27/66/496822766.db2.gz NWSQSGAMZFWCRS-QFIPXVFZSA-N 2 1 354.494 3.025 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247285166 496824428 /nfs/dbraw/zinc/82/44/28/496824428.db2.gz TVYBRGABLFVUJL-ZQIUZPCESA-N 2 1 365.905 3.092 20 0 FGADMP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000191612817 496831516 /nfs/dbraw/zinc/83/15/16/496831516.db2.gz NTZSPYCVJZWUSN-QHCPKHFHSA-N 2 1 352.522 3.195 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000247368160 496845490 /nfs/dbraw/zinc/84/54/90/496845490.db2.gz OZGCEEPQXLMEGO-TZIWHRDSSA-N 2 1 372.557 3.101 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000247402462 496851682 /nfs/dbraw/zinc/85/16/82/496851682.db2.gz XMJLPUOTAWLATB-QZTJIDSGSA-N 2 1 360.546 3.099 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000248179266 496968912 /nfs/dbraw/zinc/96/89/12/496968912.db2.gz WCYDGBWYJKWGFQ-DOTOQJQBSA-N 2 1 360.889 3.349 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@H]21 ZINC000248179266 496968915 /nfs/dbraw/zinc/96/89/15/496968915.db2.gz WCYDGBWYJKWGFQ-DOTOQJQBSA-N 2 1 360.889 3.349 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NCCc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000248180811 496969314 /nfs/dbraw/zinc/96/93/14/496969314.db2.gz WJLRKAWSZPKCNS-PZJWPPBQSA-N 2 1 371.569 3.059 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000248393783 496992630 /nfs/dbraw/zinc/99/26/30/496992630.db2.gz FCDLEITZFMUFCL-BJLQDIEVSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](NC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393256 496993049 /nfs/dbraw/zinc/99/30/49/496993049.db2.gz DSTWPSHZINTRRL-HFSMHLIXSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000248395649 496993666 /nfs/dbraw/zinc/99/36/66/496993666.db2.gz GKNDEGKHVVRBOH-QRVBRYPASA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395685 496994043 /nfs/dbraw/zinc/99/40/43/496994043.db2.gz GOJCDJDXQUDMGQ-NCXUSEDFSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248395685 496994048 /nfs/dbraw/zinc/99/40/48/496994048.db2.gz GOJCDJDXQUDMGQ-NCXUSEDFSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248395685 496994053 /nfs/dbraw/zinc/99/40/53/496994053.db2.gz GOJCDJDXQUDMGQ-NCXUSEDFSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408714 496999209 /nfs/dbraw/zinc/99/92/09/496999209.db2.gz VTWQACFITYZNRJ-KFWWJZLASA-N 2 1 369.351 3.277 20 0 FGADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248449976 497014868 /nfs/dbraw/zinc/01/48/68/497014868.db2.gz OWLNFDXVJPWQED-RDTXWAMCSA-N 2 1 359.539 3.431 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447717 497015100 /nfs/dbraw/zinc/01/51/00/497015100.db2.gz NOSQITMXGSLBEC-HNAYVOBHSA-N 2 1 358.457 3.252 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H](C)C1 ZINC000248566669 497041878 /nfs/dbraw/zinc/04/18/78/497041878.db2.gz OZTGZOCRVXKYMN-RBUKOAKNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092347 497045764 /nfs/dbraw/zinc/04/57/64/497045764.db2.gz NATWBFYEUSQULC-ZWKOTPCHSA-N 2 1 369.513 3.130 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000278238691 497047028 /nfs/dbraw/zinc/04/70/28/497047028.db2.gz NPWXESVHSHSONC-UHFFFAOYSA-N 2 1 374.529 3.207 20 0 FGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000226180776 497081473 /nfs/dbraw/zinc/08/14/73/497081473.db2.gz KHSRREZOWFDERC-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000226180776 497081477 /nfs/dbraw/zinc/08/14/77/497081477.db2.gz KHSRREZOWFDERC-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000278352602 497083963 /nfs/dbraw/zinc/08/39/63/497083963.db2.gz AWOKRJVOIIRMND-DLBZAZTESA-N 2 1 350.503 3.164 20 0 FGADMP Cc1cncc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000248757099 497100773 /nfs/dbraw/zinc/10/07/73/497100773.db2.gz VFRAUEOGADGYNQ-UGKGYDQZSA-N 2 1 352.526 3.419 20 0 FGADMP CC(C)N1CCC[C@H]([N@@H+](C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C1=O ZINC000248787452 497105060 /nfs/dbraw/zinc/10/50/60/497105060.db2.gz WTUKFLTVEVLQOW-GIVPXCGWSA-N 2 1 357.542 3.371 20 0 FGADMP Cn1c2ccc(C[NH2+]CCC[N@@H+](C)Cc3ccccc3)cc2sc1=O ZINC000192454513 497119437 /nfs/dbraw/zinc/11/94/37/497119437.db2.gz UYPMVGCDQAADRY-UHFFFAOYSA-N 2 1 355.507 3.212 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502249 497135778 /nfs/dbraw/zinc/13/57/78/497135778.db2.gz LRLGRLOHZVFDGW-RBUKOAKNSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502249 497135782 /nfs/dbraw/zinc/13/57/82/497135782.db2.gz LRLGRLOHZVFDGW-RBUKOAKNSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502249 497135786 /nfs/dbraw/zinc/13/57/86/497135786.db2.gz LRLGRLOHZVFDGW-RBUKOAKNSA-N 2 1 356.514 3.083 20 0 FGADMP CCCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236756296 497141743 /nfs/dbraw/zinc/14/17/43/497141743.db2.gz RFLPHAZBGKUGLE-LEWJYISDSA-N 2 1 369.553 3.279 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000578206130 505887185 /nfs/dbraw/zinc/88/71/85/505887185.db2.gz IEBGXURRFDRYBE-HXUWFJFHSA-N 2 1 371.569 3.381 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278591333 497158987 /nfs/dbraw/zinc/15/89/87/497158987.db2.gz IEJLTRWHIHNJHA-LJQANCHMSA-N 2 1 359.539 3.109 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000274786512 497165449 /nfs/dbraw/zinc/16/54/49/497165449.db2.gz AYNSXZVIMHZJKB-SLYNCCJLSA-N 2 1 374.550 3.126 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCCC4)c2)C1 ZINC000249108993 497167797 /nfs/dbraw/zinc/16/77/97/497167797.db2.gz QVLYGMXRCFMLEL-UXHICEINSA-N 2 1 355.526 3.196 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192640372 497172103 /nfs/dbraw/zinc/17/21/03/497172103.db2.gz DUGIIIDCUXAZSV-FQEVSTJZSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274911334 497197269 /nfs/dbraw/zinc/19/72/69/497197269.db2.gz NFQXQIJJGTYZQD-ZIBCJSCZSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccccc1[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@H](C)CO1 ZINC000192746781 497202614 /nfs/dbraw/zinc/20/26/14/497202614.db2.gz JLCLBIGCEYZGPN-IFMALSPDSA-N 2 1 359.558 3.173 20 0 FGADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192798982 497216588 /nfs/dbraw/zinc/21/65/88/497216588.db2.gz DEWKABQTOTYXCV-OAQYLSRUSA-N 2 1 358.574 3.003 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000192918313 497246429 /nfs/dbraw/zinc/24/64/29/497246429.db2.gz YYQJTXPLAIPUSP-QFIPXVFZSA-N 2 1 364.537 3.158 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237520082 497250363 /nfs/dbraw/zinc/25/03/63/497250363.db2.gz ZNKVJGPEDPEMLN-AVRDEDQJSA-N 2 1 365.521 3.247 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000237525887 497251303 /nfs/dbraw/zinc/25/13/03/497251303.db2.gz JEDMPOKGIRICAA-MNAPGUCWSA-N 2 1 369.553 3.455 20 0 FGADMP c1csc(N2CCC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000192935118 497252442 /nfs/dbraw/zinc/25/24/42/497252442.db2.gz BXQHCFAOAZDTMA-SFHVURJKSA-N 2 1 356.539 3.224 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)c1ccco1 ZINC000249910940 497256382 /nfs/dbraw/zinc/25/63/82/497256382.db2.gz IORUFROOSNGEQZ-QUCCMNQESA-N 2 1 357.498 3.472 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237588686 497258833 /nfs/dbraw/zinc/25/88/33/497258833.db2.gz XRQNXYHFOUZVRI-WIYYLYMNSA-N 2 1 357.542 3.437 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237588216 497259347 /nfs/dbraw/zinc/25/93/47/497259347.db2.gz YXQOGGWEODRCTO-DUXKGJEZSA-N 2 1 351.494 3.246 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277937 505895067 /nfs/dbraw/zinc/89/50/67/505895067.db2.gz NUAUMKPVSNJVFG-QHAWAJNXSA-N 2 1 364.505 3.118 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000251500255 497273647 /nfs/dbraw/zinc/27/36/47/497273647.db2.gz FGSITVSMPCCDDC-JRGCBEDISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000251500255 497273653 /nfs/dbraw/zinc/27/36/53/497273653.db2.gz FGSITVSMPCCDDC-JRGCBEDISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000251500255 497273656 /nfs/dbraw/zinc/27/36/56/497273656.db2.gz FGSITVSMPCCDDC-JRGCBEDISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000237674280 497273734 /nfs/dbraw/zinc/27/37/34/497273734.db2.gz HDRZPJYYHPZIRS-KRWDZBQOSA-N 2 1 351.494 3.307 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237672196 497274385 /nfs/dbraw/zinc/27/43/85/497274385.db2.gz QQOUPJYUWUKKEO-KRWDZBQOSA-N 2 1 351.494 3.307 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000237779691 497291989 /nfs/dbraw/zinc/29/19/89/497291989.db2.gz UCCQWBZNNWBGLA-SEJJLSGZSA-N 2 1 371.525 3.155 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000237779691 497291993 /nfs/dbraw/zinc/29/19/93/497291993.db2.gz UCCQWBZNNWBGLA-SEJJLSGZSA-N 2 1 371.525 3.155 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000278993591 497294382 /nfs/dbraw/zinc/29/43/82/497294382.db2.gz QIUDNHCEGAYQBM-QWHCGFSZSA-N 2 1 351.397 3.406 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000189953982 497304713 /nfs/dbraw/zinc/30/47/13/497304713.db2.gz RMZOKLFFZADAAG-IAGOWNOFSA-N 2 1 369.553 3.037 20 0 FGADMP [NH3+][C@H](CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237903201 497311941 /nfs/dbraw/zinc/31/19/41/497311941.db2.gz AEZJWECESIUDIR-OAQYLSRUSA-N 2 1 351.494 3.201 20 0 FGADMP C[C@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253547380 497338810 /nfs/dbraw/zinc/33/88/10/497338810.db2.gz UMWASCCGQSOVJE-RCLSDMTESA-N 2 1 357.542 3.228 20 0 FGADMP C[C@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253547380 497338814 /nfs/dbraw/zinc/33/88/14/497338814.db2.gz UMWASCCGQSOVJE-RCLSDMTESA-N 2 1 357.542 3.228 20 0 FGADMP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253547380 497338816 /nfs/dbraw/zinc/33/88/16/497338816.db2.gz UMWASCCGQSOVJE-RCLSDMTESA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000271440448 497350034 /nfs/dbraw/zinc/35/00/34/497350034.db2.gz CDVKVMYMVBMRED-RLLPEYFOSA-N 2 1 368.521 3.114 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000271440448 497350040 /nfs/dbraw/zinc/35/00/40/497350040.db2.gz CDVKVMYMVBMRED-RLLPEYFOSA-N 2 1 368.521 3.114 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@H](C)C1 ZINC000271455724 497353844 /nfs/dbraw/zinc/35/38/44/497353844.db2.gz JEISOAWYHUSSBI-AEFFLSMTSA-N 2 1 350.503 3.018 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271536765 497376235 /nfs/dbraw/zinc/37/62/35/497376235.db2.gz SVBWZKBYNBISFO-ICSRJNTNSA-N 2 1 369.509 3.351 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271536765 497376238 /nfs/dbraw/zinc/37/62/38/497376238.db2.gz SVBWZKBYNBISFO-ICSRJNTNSA-N 2 1 369.509 3.351 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424077 497398113 /nfs/dbraw/zinc/39/81/13/497398113.db2.gz JWDVMFPHQXSTEY-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424077 497398120 /nfs/dbraw/zinc/39/81/20/497398120.db2.gz JWDVMFPHQXSTEY-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424077 497398127 /nfs/dbraw/zinc/39/81/27/497398127.db2.gz JWDVMFPHQXSTEY-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424077 497398129 /nfs/dbraw/zinc/39/81/29/497398129.db2.gz JWDVMFPHQXSTEY-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000245424077 497398137 /nfs/dbraw/zinc/39/81/37/497398137.db2.gz JWDVMFPHQXSTEY-GHTZIAJQSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261680631 497432183 /nfs/dbraw/zinc/43/21/83/497432183.db2.gz BVLXUTHAZIDDCD-NRFANRHFSA-N 2 1 366.509 3.100 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000261680631 497432187 /nfs/dbraw/zinc/43/21/87/497432187.db2.gz BVLXUTHAZIDDCD-NRFANRHFSA-N 2 1 366.509 3.100 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000261837798 497460508 /nfs/dbraw/zinc/46/05/08/497460508.db2.gz ZNABPFNZJNJTCG-QFIPXVFZSA-N 2 1 370.493 3.454 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000261837798 497460511 /nfs/dbraw/zinc/46/05/11/497460511.db2.gz ZNABPFNZJNJTCG-QFIPXVFZSA-N 2 1 370.493 3.454 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245586040 497464991 /nfs/dbraw/zinc/46/49/91/497464991.db2.gz MHMUYOFMZXBCCZ-MOPGFXCFSA-N 2 1 363.933 3.322 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)cc2)CC1 ZINC000245586040 497464995 /nfs/dbraw/zinc/46/49/95/497464995.db2.gz MHMUYOFMZXBCCZ-MOPGFXCFSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000245590767 497468106 /nfs/dbraw/zinc/46/81/06/497468106.db2.gz AZOCWJCGELSYHQ-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000245590767 497468108 /nfs/dbraw/zinc/46/81/08/497468108.db2.gz AZOCWJCGELSYHQ-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000245590767 497468112 /nfs/dbraw/zinc/46/81/12/497468112.db2.gz AZOCWJCGELSYHQ-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000275973236 497473128 /nfs/dbraw/zinc/47/31/28/497473128.db2.gz NSTGYAGRPOBZGW-SFHVURJKSA-N 2 1 355.526 3.055 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426814 497474985 /nfs/dbraw/zinc/47/49/85/497474985.db2.gz QAOZMJFWGJJUHZ-NHCUHLMSSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245665330 497493864 /nfs/dbraw/zinc/49/38/64/497493864.db2.gz QWTPADNXIWIOFR-HLAWJBBLSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000245665330 497493870 /nfs/dbraw/zinc/49/38/70/497493870.db2.gz QWTPADNXIWIOFR-HLAWJBBLSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000245665330 497493872 /nfs/dbraw/zinc/49/38/72/497493872.db2.gz QWTPADNXIWIOFR-HLAWJBBLSA-N 2 1 372.557 3.386 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245742154 497524033 /nfs/dbraw/zinc/52/40/33/497524033.db2.gz RTEBYFURQRTKST-WKCHPHFGSA-N 2 1 364.493 3.462 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272137038 497544915 /nfs/dbraw/zinc/54/49/15/497544915.db2.gz ARHWQELWLHQUOI-UWJYYQICSA-N 2 1 351.494 3.046 20 0 FGADMP O=C(C[NH2+]CC1CC1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000262629034 497587922 /nfs/dbraw/zinc/58/79/22/497587922.db2.gz GQQCIVNKOVVGJU-UHFFFAOYSA-N 2 1 370.324 3.074 20 0 FGADMP CCS(=O)(=O)CCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276508080 497589946 /nfs/dbraw/zinc/58/99/46/497589946.db2.gz UMTAVJAYHMOVCS-FQEVSTJZSA-N 2 1 366.571 3.045 20 0 FGADMP CCS(=O)(=O)CCCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276508080 497589951 /nfs/dbraw/zinc/58/99/51/497589951.db2.gz UMTAVJAYHMOVCS-FQEVSTJZSA-N 2 1 366.571 3.045 20 0 FGADMP CCS(=O)(=O)CCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276508080 497589954 /nfs/dbraw/zinc/58/99/54/497589954.db2.gz UMTAVJAYHMOVCS-FQEVSTJZSA-N 2 1 366.571 3.045 20 0 FGADMP CCS(=O)(=O)CCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276508080 497589957 /nfs/dbraw/zinc/58/99/57/497589957.db2.gz UMTAVJAYHMOVCS-FQEVSTJZSA-N 2 1 366.571 3.045 20 0 FGADMP C[C@H](CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262646400 497591150 /nfs/dbraw/zinc/59/11/50/497591150.db2.gz ODNKTTXHCKDHEZ-RQZVMEALSA-N 2 1 371.569 3.285 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000190785483 497602674 /nfs/dbraw/zinc/60/26/74/497602674.db2.gz OPHINSWCOZIRID-UHFFFAOYSA-N 2 1 350.466 3.103 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728340 497637994 /nfs/dbraw/zinc/63/79/94/497637994.db2.gz YGCRMEGOEXLQDK-RBUKOAKNSA-N 2 1 369.553 3.101 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000262870859 497643604 /nfs/dbraw/zinc/64/36/04/497643604.db2.gz MHQWAUSXDJMSLW-JPYJTQIMSA-N 2 1 365.521 3.409 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000246199648 497658344 /nfs/dbraw/zinc/65/83/44/497658344.db2.gz WWJNYTIRUTXZBG-DYXWJJEUSA-N 2 1 355.526 3.129 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564204 497664383 /nfs/dbraw/zinc/66/43/83/497664383.db2.gz GZLMXJMIEJRDEW-GHTZIAJQSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564204 497664384 /nfs/dbraw/zinc/66/43/84/497664384.db2.gz GZLMXJMIEJRDEW-GHTZIAJQSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000268045587 497666802 /nfs/dbraw/zinc/66/68/02/497666802.db2.gz QDPYBXVJFNISFJ-BMFZPTHFSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000268045587 497666807 /nfs/dbraw/zinc/66/68/07/497666807.db2.gz QDPYBXVJFNISFJ-BMFZPTHFSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000268045598 497667130 /nfs/dbraw/zinc/66/71/30/497667130.db2.gz QDPYBXVJFNISFJ-VNQPRFMTSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000268045598 497667134 /nfs/dbraw/zinc/66/71/34/497667134.db2.gz QDPYBXVJFNISFJ-VNQPRFMTSA-N 2 1 352.320 3.100 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](COCC)C2)C1 ZINC000246235804 497670699 /nfs/dbraw/zinc/67/06/99/497670699.db2.gz QSXCIBPJCGFDOZ-WOJBJXKFSA-N 2 1 360.542 3.403 20 0 FGADMP CC(C)(C)n1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)nn1 ZINC000190994516 497676948 /nfs/dbraw/zinc/67/69/48/497676948.db2.gz KULGKTAIOJJBEP-CTXDPNEZSA-N 2 1 353.514 3.318 20 0 FGADMP c1ccc(-c2noc(CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246275203 497681422 /nfs/dbraw/zinc/68/14/22/497681422.db2.gz ANROMQICKJPQRM-PKOBYXMFSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246275203 497681426 /nfs/dbraw/zinc/68/14/26/497681426.db2.gz ANROMQICKJPQRM-PKOBYXMFSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246275203 497681432 /nfs/dbraw/zinc/68/14/32/497681432.db2.gz ANROMQICKJPQRM-PKOBYXMFSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246275203 497681438 /nfs/dbraw/zinc/68/14/38/497681438.db2.gz ANROMQICKJPQRM-PKOBYXMFSA-N 2 1 352.482 3.228 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@]12CCCO2 ZINC000272670678 497696784 /nfs/dbraw/zinc/69/67/84/497696784.db2.gz KKTQHGZBKLACHP-BHDDXSALSA-N 2 1 358.526 3.010 20 0 FGADMP Cc1nc2ccccc2n1C1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000280261291 497700509 /nfs/dbraw/zinc/70/05/09/497700509.db2.gz PRTCSJDOEQCUBT-UHFFFAOYSA-N 2 1 362.477 3.298 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])c2)C[C@@H](C)O1 ZINC000263145460 497717013 /nfs/dbraw/zinc/71/70/13/497717013.db2.gz CQXKJODTGLXXLP-IIZJSDIPSA-N 2 1 359.514 3.142 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853201 497745556 /nfs/dbraw/zinc/74/55/56/497745556.db2.gz SWVXKWLQWPZPCV-AZUAARDMSA-N 2 1 369.509 3.208 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472679 497746489 /nfs/dbraw/zinc/74/64/89/497746489.db2.gz GVCFRNLCZQRFRE-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246472679 497746494 /nfs/dbraw/zinc/74/64/94/497746494.db2.gz GVCFRNLCZQRFRE-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246472679 497746498 /nfs/dbraw/zinc/74/64/98/497746498.db2.gz GVCFRNLCZQRFRE-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000246520472 497760779 /nfs/dbraw/zinc/76/07/79/497760779.db2.gz XIUARTCRGLFKJX-NHCUHLMSSA-N 2 1 372.557 3.339 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000246522956 497762192 /nfs/dbraw/zinc/76/21/92/497762192.db2.gz VBRQDOJYBZFBMD-BJLQDIEVSA-N 2 1 374.573 3.488 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NCc1cn(C(C)(C)C)nn1 ZINC000191331154 497782875 /nfs/dbraw/zinc/78/28/75/497782875.db2.gz DVOQBUSHLPPOQV-XEWABKELSA-N 2 1 355.530 3.279 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000581240130 505941199 /nfs/dbraw/zinc/94/11/99/505941199.db2.gz VBTZUQIGVNZVHW-QZTJIDSGSA-N 2 1 372.557 3.330 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000280898729 497941535 /nfs/dbraw/zinc/94/15/35/497941535.db2.gz FPVMROPVLIMKKI-YUMYIRISSA-N 2 1 355.526 3.030 20 0 FGADMP COCCn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000364429079 497953270 /nfs/dbraw/zinc/95/32/70/497953270.db2.gz CUVZOHOVCVKKIO-UHFFFAOYSA-N 2 1 368.525 3.018 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000364459055 497969724 /nfs/dbraw/zinc/96/97/24/497969724.db2.gz PXRLWOVLEDLAIW-KRWDZBQOSA-N 2 1 355.530 3.030 20 0 FGADMP Cc1ccncc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000280982358 497974851 /nfs/dbraw/zinc/97/48/51/497974851.db2.gz UMVOTUYVFCDMNV-UHFFFAOYSA-N 2 1 369.509 3.169 20 0 FGADMP C[C@@H](OC[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410749 498075761 /nfs/dbraw/zinc/07/57/61/498075761.db2.gz FVIILVIDBNXKGS-HGTBCMPDSA-N 2 1 366.933 3.336 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000285410749 498075765 /nfs/dbraw/zinc/07/57/65/498075765.db2.gz FVIILVIDBNXKGS-HGTBCMPDSA-N 2 1 366.933 3.336 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc4n[nH]cc4c(C)c3)CC2)CC1 ZINC000581378489 505975326 /nfs/dbraw/zinc/97/53/26/505975326.db2.gz LWDLPKOPHUFZAI-UHFFFAOYSA-N 2 1 369.513 3.006 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402592 505979799 /nfs/dbraw/zinc/97/97/99/505979799.db2.gz STLLFUHZWYBZKK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000581402592 505979801 /nfs/dbraw/zinc/97/98/01/505979801.db2.gz STLLFUHZWYBZKK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000581402592 505979803 /nfs/dbraw/zinc/97/98/03/505979803.db2.gz STLLFUHZWYBZKK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C([C@H]1CCCOC1)[NH+]1CCCC2(CCC[N@H+](C[C@H]3CCCOC3)C2)C1 ZINC000575611446 505983630 /nfs/dbraw/zinc/98/36/30/505983630.db2.gz DWTMWJGTHLFWTG-OSBQEZSISA-N 2 1 350.547 3.018 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@@](C)(COC)C3)cc2)C1 ZINC000296650344 498138456 /nfs/dbraw/zinc/13/84/56/498138456.db2.gz IYGKOGINIGXWII-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000364780768 498139168 /nfs/dbraw/zinc/13/91/68/498139168.db2.gz WSVGVPKFRRBBHL-SCWSEQNSSA-N 2 1 350.510 3.143 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511961 505986916 /nfs/dbraw/zinc/98/69/16/505986916.db2.gz IQYNNZKZTPUIHW-IRXDYDNUSA-N 2 1 364.534 3.225 20 0 FGADMP Cc1[nH+]cc(CNc2[nH+]ccn2Cc2ccc(Br)cc2)n1C ZINC000581439641 505989087 /nfs/dbraw/zinc/98/90/87/505989087.db2.gz CCUBTSPDAUPSDX-UHFFFAOYSA-N 2 1 360.259 3.348 20 0 FGADMP C[NH+](C[C@@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285671459 498166982 /nfs/dbraw/zinc/16/69/82/498166982.db2.gz ZVJBGDKETFWWIY-DVJFUJMWSA-N 2 1 371.294 3.179 20 0 FGADMP C[N@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285671459 498166970 /nfs/dbraw/zinc/16/69/70/498166970.db2.gz ZVJBGDKETFWWIY-DVJFUJMWSA-N 2 1 371.294 3.179 20 0 FGADMP C[N@@H+](C[C@@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285671459 498166976 /nfs/dbraw/zinc/16/69/76/498166976.db2.gz ZVJBGDKETFWWIY-DVJFUJMWSA-N 2 1 371.294 3.179 20 0 FGADMP C[NH+](C[C@@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285671459 498166987 /nfs/dbraw/zinc/16/69/87/498166987.db2.gz ZVJBGDKETFWWIY-DVJFUJMWSA-N 2 1 371.294 3.179 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1cccc(Cl)c1 ZINC000364852390 498174085 /nfs/dbraw/zinc/17/40/85/498174085.db2.gz UAIGUFKZJLPGLI-YLJYHZDGSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292868215 498176678 /nfs/dbraw/zinc/17/66/78/498176678.db2.gz CYUXMOMRLCWLKE-HTAPYJJXSA-N 2 1 369.509 3.370 20 0 FGADMP CC[C@H](C(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000572534512 505991697 /nfs/dbraw/zinc/99/16/97/505991697.db2.gz GSUCLYBMVHFHJK-LEWJYISDSA-N 2 1 359.558 3.381 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000296865241 498229273 /nfs/dbraw/zinc/22/92/73/498229273.db2.gz GUTAUZXZFPXVBN-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738028 498245550 /nfs/dbraw/zinc/24/55/50/498245550.db2.gz CHUHWWILCYLUEL-YVEFUNNKSA-N 2 1 351.397 3.276 20 0 FGADMP Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738028 498245554 /nfs/dbraw/zinc/24/55/54/498245554.db2.gz CHUHWWILCYLUEL-YVEFUNNKSA-N 2 1 351.397 3.276 20 0 FGADMP COC[C@]1(C)CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250560 /nfs/dbraw/zinc/25/05/60/498250560.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250564 /nfs/dbraw/zinc/25/05/64/498250564.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@]1(C)CC[NH+](Cc2ccccc2C[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000296915505 498250569 /nfs/dbraw/zinc/25/05/69/498250569.db2.gz WMSMEDNKZVBMNH-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CCCc1cc(N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301769808 498256153 /nfs/dbraw/zinc/25/61/53/498256153.db2.gz CZLLYRQHZJYYQC-IBGZPJMESA-N 2 1 352.526 3.404 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000289791383 498294157 /nfs/dbraw/zinc/29/41/57/498294157.db2.gz NFBNFYVZZZUUGH-IPMKNSEASA-N 2 1 356.539 3.279 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790453 498308845 /nfs/dbraw/zinc/30/88/45/498308845.db2.gz GZVORPGPMSSBFW-BAGYTPMASA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790453 498308848 /nfs/dbraw/zinc/30/88/48/498308848.db2.gz GZVORPGPMSSBFW-BAGYTPMASA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790453 498308853 /nfs/dbraw/zinc/30/88/53/498308853.db2.gz GZVORPGPMSSBFW-BAGYTPMASA-N 2 1 359.477 3.002 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000578725712 506006595 /nfs/dbraw/zinc/00/65/95/506006595.db2.gz QUQUNOBIHXVNQA-JRGKDQQJSA-N 2 1 355.526 3.063 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811162 506021541 /nfs/dbraw/zinc/02/15/41/506021541.db2.gz NUVDQCDXAHRXCR-KLDKWKSESA-N 2 1 365.521 3.337 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538342 498408705 /nfs/dbraw/zinc/40/87/05/498408705.db2.gz FSAZWTRTVVNBBE-APWZRJJASA-N 2 1 365.477 3.018 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538342 498408710 /nfs/dbraw/zinc/40/87/10/498408710.db2.gz FSAZWTRTVVNBBE-APWZRJJASA-N 2 1 365.477 3.018 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000365430775 498463668 /nfs/dbraw/zinc/46/36/68/498463668.db2.gz PQUQIOYHHLPWDR-MWXLCCTBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445089 498471113 /nfs/dbraw/zinc/47/11/13/498471113.db2.gz VAGADMGFPHONEQ-AABGKKOBSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445089 498471122 /nfs/dbraw/zinc/47/11/22/498471122.db2.gz VAGADMGFPHONEQ-AABGKKOBSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445089 498471129 /nfs/dbraw/zinc/47/11/29/498471129.db2.gz VAGADMGFPHONEQ-AABGKKOBSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445089 498471137 /nfs/dbraw/zinc/47/11/37/498471137.db2.gz VAGADMGFPHONEQ-AABGKKOBSA-N 2 1 354.494 3.069 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282409911 498500605 /nfs/dbraw/zinc/50/06/05/498500605.db2.gz KYVCLFWWTVZWSD-XVAXZDLZSA-N 2 1 357.542 3.324 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282409911 498500614 /nfs/dbraw/zinc/50/06/14/498500614.db2.gz KYVCLFWWTVZWSD-XVAXZDLZSA-N 2 1 357.542 3.324 20 0 FGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333287 498513233 /nfs/dbraw/zinc/51/32/33/498513233.db2.gz DWTQYLYECJDUEQ-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333287 498513241 /nfs/dbraw/zinc/51/32/41/498513241.db2.gz DWTQYLYECJDUEQ-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333287 498513249 /nfs/dbraw/zinc/51/32/49/498513249.db2.gz DWTQYLYECJDUEQ-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333287 498513258 /nfs/dbraw/zinc/51/32/58/498513258.db2.gz DWTQYLYECJDUEQ-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487609 498531441 /nfs/dbraw/zinc/53/14/41/498531441.db2.gz XHEYYVHRYWUIOE-CHPDAQJUSA-N 2 1 352.469 3.283 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487609 498531447 /nfs/dbraw/zinc/53/14/47/498531447.db2.gz XHEYYVHRYWUIOE-CHPDAQJUSA-N 2 1 352.469 3.283 20 0 FGADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1O ZINC000297691349 498537938 /nfs/dbraw/zinc/53/79/38/498537938.db2.gz PWOKZUAEYOGALZ-HXUWFJFHSA-N 2 1 370.493 3.037 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C2 ZINC000365581120 498541318 /nfs/dbraw/zinc/54/13/18/498541318.db2.gz MHOVFPWLIFFEAI-INIZCTEOSA-N 2 1 372.488 3.025 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC000365581120 498541325 /nfs/dbraw/zinc/54/13/25/498541325.db2.gz MHOVFPWLIFFEAI-INIZCTEOSA-N 2 1 372.488 3.025 20 0 FGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921154 506052064 /nfs/dbraw/zinc/05/20/64/506052064.db2.gz LMIBHEJEMUNLNW-GHTZIAJQSA-N 2 1 357.542 3.339 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572807730 506056061 /nfs/dbraw/zinc/05/60/61/506056061.db2.gz GJNBZRYJVCKBLH-FUHWJXTLSA-N 2 1 360.546 3.338 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000572807730 506056064 /nfs/dbraw/zinc/05/60/64/506056064.db2.gz GJNBZRYJVCKBLH-FUHWJXTLSA-N 2 1 360.546 3.338 20 0 FGADMP CCCn1c(C)nnc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282601436 498576330 /nfs/dbraw/zinc/57/63/30/498576330.db2.gz YBVYGNUPCCHQKW-IBGZPJMESA-N 2 1 355.530 3.387 20 0 FGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(-c2ccncc2)c1 ZINC000569960750 506056977 /nfs/dbraw/zinc/05/69/77/506056977.db2.gz NJENXCINUNJAMS-OAHLLOKOSA-N 2 1 362.481 3.185 20 0 FGADMP O=C1COc2ccc(CNC[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2N1 ZINC000294143257 498600934 /nfs/dbraw/zinc/60/09/34/498600934.db2.gz HNFMDYVQKANZHO-MRXNPFEDSA-N 2 1 371.506 3.081 20 0 FGADMP O=C1COc2ccc(CNC[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2N1 ZINC000294143257 498600938 /nfs/dbraw/zinc/60/09/38/498600938.db2.gz HNFMDYVQKANZHO-MRXNPFEDSA-N 2 1 371.506 3.081 20 0 FGADMP O=C1COc2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2N1 ZINC000294143257 498600944 /nfs/dbraw/zinc/60/09/44/498600944.db2.gz HNFMDYVQKANZHO-MRXNPFEDSA-N 2 1 371.506 3.081 20 0 FGADMP O=C1COc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2N1 ZINC000294143257 498600950 /nfs/dbraw/zinc/60/09/50/498600950.db2.gz HNFMDYVQKANZHO-MRXNPFEDSA-N 2 1 371.506 3.081 20 0 FGADMP CC[C@H]1CN(c2cc(N3CCCC3)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000302867582 498605908 /nfs/dbraw/zinc/60/59/08/498605908.db2.gz ZPIRHITWEBWAMK-IBGZPJMESA-N 2 1 351.498 3.178 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000572829409 506062792 /nfs/dbraw/zinc/06/27/92/506062792.db2.gz FCLINCRBYXHJPL-FQEVSTJZSA-N 2 1 374.960 3.397 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4c3cccc4C)CC2)CC1 ZINC000572853831 506068451 /nfs/dbraw/zinc/06/84/51/506068451.db2.gz PJUQLTPFCFYLFQ-JOCHJYFZSA-N 2 1 369.553 3.295 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000294469384 498702314 /nfs/dbraw/zinc/70/23/14/498702314.db2.gz GSODKTDMOAOPID-GOEBONIOSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000294469384 498702324 /nfs/dbraw/zinc/70/23/24/498702324.db2.gz GSODKTDMOAOPID-GOEBONIOSA-N 2 1 370.335 3.071 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363220830 498709586 /nfs/dbraw/zinc/70/95/86/498709586.db2.gz IJCFZVIZTOHAHG-QPIRBTGLSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000572895574 506077889 /nfs/dbraw/zinc/07/78/89/506077889.db2.gz DAFGBPXUGSBTBR-RTWAWAEBSA-N 2 1 371.500 3.455 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000576119667 506081755 /nfs/dbraw/zinc/08/17/55/506081755.db2.gz NKVAOKMGWIVOJC-GOSISDBHSA-N 2 1 367.415 3.363 20 0 FGADMP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000283021549 498748243 /nfs/dbraw/zinc/74/82/43/498748243.db2.gz GWSKLPZZXGRRSH-PZJWPPBQSA-N 2 1 355.526 3.099 20 0 FGADMP O=C(NCCCCCCC[NH+]1CCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294632813 498755100 /nfs/dbraw/zinc/75/51/00/498755100.db2.gz ULNACKZIZDJODF-UHFFFAOYSA-N 2 1 355.486 3.043 20 0 FGADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597026 498759970 /nfs/dbraw/zinc/75/99/70/498759970.db2.gz XRGHWPRUDFDJLI-QFBILLFUSA-N 2 1 368.477 3.424 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)cc(C)nc2OC)CC1 ZINC000579102269 506094926 /nfs/dbraw/zinc/09/49/26/506094926.db2.gz YFWWZYNYOUJHJI-UHFFFAOYSA-N 2 1 363.546 3.277 20 0 FGADMP c1cc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cs2)cs1 ZINC000298721382 498859595 /nfs/dbraw/zinc/85/95/95/498859595.db2.gz LABHVPRHFLZAPI-UHFFFAOYSA-N 2 1 363.552 3.416 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ncn1 ZINC000328726396 498916305 /nfs/dbraw/zinc/91/63/05/498916305.db2.gz ZONQGKRQKLGPKI-QMMLZNLJSA-N 2 1 373.545 3.014 20 0 FGADMP Cc1csc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1Cl ZINC000579183658 506112002 /nfs/dbraw/zinc/11/20/02/506112002.db2.gz YCNQFRKQIWSIFI-UHFFFAOYSA-N 2 1 350.875 3.109 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000579194853 506114632 /nfs/dbraw/zinc/11/46/32/506114632.db2.gz DRHFWENDGUIZJI-LJQANCHMSA-N 2 1 356.857 3.395 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000579194853 506114634 /nfs/dbraw/zinc/11/46/34/506114634.db2.gz DRHFWENDGUIZJI-LJQANCHMSA-N 2 1 356.857 3.395 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271965 506117791 /nfs/dbraw/zinc/11/77/91/506117791.db2.gz MYWKKUDTVFXHAP-UKRRQHHQSA-N 2 1 361.313 3.055 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@H+](CC[C@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217071 506121913 /nfs/dbraw/zinc/12/19/13/506121913.db2.gz ZQYJXZQOERKYKK-OSBQEZSISA-N 2 1 350.547 3.303 20 0 FGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000366580842 498987806 /nfs/dbraw/zinc/98/78/06/498987806.db2.gz LWWQKTIFZHYJRE-AEFFLSMTSA-N 2 1 359.518 3.157 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000363788511 498994462 /nfs/dbraw/zinc/99/44/62/498994462.db2.gz XOUPXEPMJJNGMU-GOSISDBHSA-N 2 1 369.557 3.338 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)cc1Cl ZINC000288429699 499022673 /nfs/dbraw/zinc/02/26/73/499022673.db2.gz BNSKJHXCRQNIMX-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000284029203 499033098 /nfs/dbraw/zinc/03/30/98/499033098.db2.gz JEZVIKNLLYQSNG-OAQYLSRUSA-N 2 1 352.478 3.392 20 0 FGADMP CCc1nc(C)c(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000291686696 499035694 /nfs/dbraw/zinc/03/56/94/499035694.db2.gz FDOHAQLSNMDCEI-UHFFFAOYSA-N 2 1 356.514 3.366 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1)c1nccs1 ZINC000284301911 499085507 /nfs/dbraw/zinc/08/55/07/499085507.db2.gz ZEDMKHPIPJWHOD-PKOBYXMFSA-N 2 1 359.539 3.470 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000369872919 499142820 /nfs/dbraw/zinc/14/28/20/499142820.db2.gz QLJDZNUEYXFYTQ-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872919 499142823 /nfs/dbraw/zinc/14/28/23/499142823.db2.gz QLJDZNUEYXFYTQ-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872919 499142825 /nfs/dbraw/zinc/14/28/25/499142825.db2.gz QLJDZNUEYXFYTQ-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892259 499146566 /nfs/dbraw/zinc/14/65/66/499146566.db2.gz LPEKFJOXIFFIIZ-GHTZIAJQSA-N 2 1 372.557 3.084 20 0 FGADMP C[C@H]1C[N@H+](Cc2cc(-c3ccc(F)cc3)no2)CCN1C1CC[NH+](C)CC1 ZINC000369917069 499151553 /nfs/dbraw/zinc/15/15/53/499151553.db2.gz ARNCMPGCVXNSGN-INIZCTEOSA-N 2 1 372.488 3.081 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)CCN1C1CC[NH+](C)CC1 ZINC000369917069 499151555 /nfs/dbraw/zinc/15/15/55/499151555.db2.gz ARNCMPGCVXNSGN-INIZCTEOSA-N 2 1 372.488 3.081 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370026823 499168284 /nfs/dbraw/zinc/16/82/84/499168284.db2.gz MAUWWZPWZYCVPH-YLJYHZDGSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000367252185 499168549 /nfs/dbraw/zinc/16/85/49/499168549.db2.gz LKNHDXHWHYTBRD-PZJWPPBQSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252185 499168551 /nfs/dbraw/zinc/16/85/51/499168551.db2.gz LKNHDXHWHYTBRD-PZJWPPBQSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252185 499168553 /nfs/dbraw/zinc/16/85/53/499168553.db2.gz LKNHDXHWHYTBRD-PZJWPPBQSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367252185 499168555 /nfs/dbraw/zinc/16/85/55/499168555.db2.gz LKNHDXHWHYTBRD-PZJWPPBQSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367252185 499168557 /nfs/dbraw/zinc/16/85/57/499168557.db2.gz LKNHDXHWHYTBRD-PZJWPPBQSA-N 2 1 361.574 3.220 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367310583 499178210 /nfs/dbraw/zinc/17/82/10/499178210.db2.gz UEKXWRIPOKAJLM-KRWDZBQOSA-N 2 1 371.525 3.220 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367310583 499178213 /nfs/dbraw/zinc/17/82/13/499178213.db2.gz UEKXWRIPOKAJLM-KRWDZBQOSA-N 2 1 371.525 3.220 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812668 499178708 /nfs/dbraw/zinc/17/87/08/499178708.db2.gz QLHJFYRQQUGJIC-HOJAQTOUSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812668 499178712 /nfs/dbraw/zinc/17/87/12/499178712.db2.gz QLHJFYRQQUGJIC-HOJAQTOUSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812668 499178715 /nfs/dbraw/zinc/17/87/15/499178715.db2.gz QLHJFYRQQUGJIC-HOJAQTOUSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000372812668 499178717 /nfs/dbraw/zinc/17/87/17/499178717.db2.gz QLHJFYRQQUGJIC-HOJAQTOUSA-N 2 1 356.510 3.315 20 0 FGADMP COc1ccccc1CNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370160838 499190191 /nfs/dbraw/zinc/19/01/91/499190191.db2.gz IMSYQSPLMFAODD-QAPCUYQASA-N 2 1 358.511 3.064 20 0 FGADMP C[N@H+](Cc1c(Cl)nc2ccccn21)C1CCN(c2ccccn2)CC1 ZINC000367422863 499197229 /nfs/dbraw/zinc/19/72/29/499197229.db2.gz NVCCEFXDVQVCDY-UHFFFAOYSA-N 2 1 355.873 3.484 20 0 FGADMP C[N@@H+](Cc1c(Cl)nc2ccccn21)C1CCN(c2ccccn2)CC1 ZINC000367422863 499197231 /nfs/dbraw/zinc/19/72/31/499197231.db2.gz NVCCEFXDVQVCDY-UHFFFAOYSA-N 2 1 355.873 3.484 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1F ZINC000370322065 499209233 /nfs/dbraw/zinc/20/92/33/499209233.db2.gz CJOADRSVMXLYRU-AUUYWEPGSA-N 2 1 366.440 3.067 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1C ZINC000368020303 499256068 /nfs/dbraw/zinc/25/60/68/499256068.db2.gz VBKDXCHJCWNHTN-CRAIPNDOSA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1C ZINC000368020303 499256070 /nfs/dbraw/zinc/25/60/70/499256070.db2.gz VBKDXCHJCWNHTN-CRAIPNDOSA-N 2 1 361.511 3.046 20 0 FGADMP C[N@@H+](Cc1ccc(Br)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259570 499303545 /nfs/dbraw/zinc/30/35/45/499303545.db2.gz ULEJOACKPOBJIF-AWEZNQCLSA-N 2 1 372.376 3.111 20 0 FGADMP COc1ccc([C@H]2[C@@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@@H+]2C)cc1 ZINC000368223757 499275812 /nfs/dbraw/zinc/27/58/12/499275812.db2.gz BFIPTFNVDYIJTL-UZLBHIALSA-N 2 1 365.481 3.091 20 0 FGADMP COc1ccc([C@H]2[C@@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@H+]2C)cc1 ZINC000368223757 499275813 /nfs/dbraw/zinc/27/58/13/499275813.db2.gz BFIPTFNVDYIJTL-UZLBHIALSA-N 2 1 365.481 3.091 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000371021655 499281075 /nfs/dbraw/zinc/28/10/75/499281075.db2.gz FNGNZFYDKHRAOJ-IBGZPJMESA-N 2 1 354.498 3.373 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000368279649 499281226 /nfs/dbraw/zinc/28/12/26/499281226.db2.gz CDHYWSYTBKLRPW-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000368279649 499281227 /nfs/dbraw/zinc/28/12/27/499281227.db2.gz CDHYWSYTBKLRPW-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368297319 499283075 /nfs/dbraw/zinc/28/30/75/499283075.db2.gz WJPRBGZNYOJMQK-XDNAFOTISA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110254 499289370 /nfs/dbraw/zinc/28/93/70/499289370.db2.gz YKADUBOXWKTZAO-NRFANRHFSA-N 2 1 351.494 3.272 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110254 499289371 /nfs/dbraw/zinc/28/93/71/499289371.db2.gz YKADUBOXWKTZAO-NRFANRHFSA-N 2 1 351.494 3.272 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110254 499289373 /nfs/dbraw/zinc/28/93/73/499289373.db2.gz YKADUBOXWKTZAO-NRFANRHFSA-N 2 1 351.494 3.272 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110254 499289375 /nfs/dbraw/zinc/28/93/75/499289375.db2.gz YKADUBOXWKTZAO-NRFANRHFSA-N 2 1 351.494 3.272 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3CCO)cc1 ZINC000368564078 499307780 /nfs/dbraw/zinc/30/77/80/499307780.db2.gz OXSYYBDXNPGYQP-MGPUTAFESA-N 2 1 365.481 3.098 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000371330896 499311208 /nfs/dbraw/zinc/31/12/08/499311208.db2.gz DGJFHUDIFVUDTC-MRXNPFEDSA-N 2 1 350.576 3.041 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000371330896 499311210 /nfs/dbraw/zinc/31/12/10/499311210.db2.gz DGJFHUDIFVUDTC-MRXNPFEDSA-N 2 1 350.576 3.041 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000368604894 499312632 /nfs/dbraw/zinc/31/26/32/499312632.db2.gz WMPOZKILOUINRZ-SFHVURJKSA-N 2 1 358.530 3.095 20 0 FGADMP Cc1cccc(NC2CC[NH+](Cc3ccccc3N3CCOCC3)CC2)[nH+]1 ZINC000371398360 499321082 /nfs/dbraw/zinc/32/10/82/499321082.db2.gz LVFFOSZAGNVYQC-UHFFFAOYSA-N 2 1 366.509 3.303 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471815 499331372 /nfs/dbraw/zinc/33/13/72/499331372.db2.gz WYMSMWDUXMOGED-BPQIPLTHSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471815 499331373 /nfs/dbraw/zinc/33/13/73/499331373.db2.gz WYMSMWDUXMOGED-BPQIPLTHSA-N 2 1 354.441 3.014 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000573205763 506143304 /nfs/dbraw/zinc/14/33/04/506143304.db2.gz ANASVTSWVLTNSS-HXUWFJFHSA-N 2 1 355.526 3.080 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000573205763 506143306 /nfs/dbraw/zinc/14/33/06/506143306.db2.gz ANASVTSWVLTNSS-HXUWFJFHSA-N 2 1 355.526 3.080 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573207490 506143842 /nfs/dbraw/zinc/14/38/42/506143842.db2.gz ZIHDPUCEBZMBOD-YXWQFLTLSA-N 2 1 365.905 3.043 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000573207490 506143844 /nfs/dbraw/zinc/14/38/44/506143844.db2.gz ZIHDPUCEBZMBOD-YXWQFLTLSA-N 2 1 365.905 3.043 20 0 FGADMP Cc1cccc(C)c1OCCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399017 499399838 /nfs/dbraw/zinc/39/98/38/499399838.db2.gz RQEYGCDNEVRYQD-OAQYLSRUSA-N 2 1 359.558 3.173 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000582153660 506145283 /nfs/dbraw/zinc/14/52/83/506145283.db2.gz FILCASLDAPJDNO-UHFFFAOYSA-N 2 1 361.449 3.424 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385708 506145508 /nfs/dbraw/zinc/14/55/08/506145508.db2.gz DLOLNLHFJIOKKH-ZWKOTPCHSA-N 2 1 371.525 3.161 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000372350526 499423700 /nfs/dbraw/zinc/42/37/00/499423700.db2.gz XAYSTRSENSGOEC-AVRDEDQJSA-N 2 1 365.521 3.089 20 0 FGADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000369722858 499439023 /nfs/dbraw/zinc/43/90/23/499439023.db2.gz UKOGZRPBZWXFRN-HXUWFJFHSA-N 2 1 359.514 3.271 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCCC(=O)OC(C)(C)C ZINC000378182018 499488187 /nfs/dbraw/zinc/48/81/87/499488187.db2.gz FZFQAWXMKBLLNF-CEXWTWQISA-N 2 1 368.562 3.368 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(-c4ccccc4)o3)CC2)CC1 ZINC000375235715 499497927 /nfs/dbraw/zinc/49/79/27/499497927.db2.gz BUFIHULDQPOSIH-UHFFFAOYSA-N 2 1 368.525 3.191 20 0 FGADMP Cn1c2ccccc2nc1CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378353000 499505760 /nfs/dbraw/zinc/50/57/60/499505760.db2.gz DUDIIWMBCGSRCD-KRWDZBQOSA-N 2 1 352.526 3.312 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NCc2ccccc2F)[C@H]1c1ccccc1 ZINC000375460506 499521860 /nfs/dbraw/zinc/52/18/60/499521860.db2.gz OULSFAULFFVROE-DENIHFKCSA-N 2 1 369.484 3.115 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NCc2ccccc2F)[C@H]1c1ccccc1 ZINC000375460506 499521862 /nfs/dbraw/zinc/52/18/62/499521862.db2.gz OULSFAULFFVROE-DENIHFKCSA-N 2 1 369.484 3.115 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378513209 499526133 /nfs/dbraw/zinc/52/61/33/499526133.db2.gz CQFBYZREHPVFCM-OALUTQOASA-N 2 1 372.557 3.436 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@H]2c2cccs2)CC1 ZINC000375600451 499536763 /nfs/dbraw/zinc/53/67/63/499536763.db2.gz UJLBTXCBVCRZPM-KRWDZBQOSA-N 2 1 353.601 3.254 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000382721997 499546165 /nfs/dbraw/zinc/54/61/65/499546165.db2.gz NWWDWHFVMMFCJB-NQIIRXRSSA-N 2 1 351.494 3.200 20 0 FGADMP [NH3+]CCc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390957258 499556175 /nfs/dbraw/zinc/55/61/75/499556175.db2.gz WJLPRCJPEABFOS-SEJPIABJSA-N 2 1 363.505 3.113 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000375906443 499567383 /nfs/dbraw/zinc/56/73/83/499567383.db2.gz PFMBLLSJTFTDGD-NRFANRHFSA-N 2 1 371.569 3.415 20 0 FGADMP O[C@H](Cc1ccccc1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409446136 499596735 /nfs/dbraw/zinc/59/67/35/499596735.db2.gz NKIRJJURZDKTIV-RJGXRXQPSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000409446136 499596736 /nfs/dbraw/zinc/59/67/36/499596736.db2.gz NKIRJJURZDKTIV-RJGXRXQPSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000409446136 499596737 /nfs/dbraw/zinc/59/67/37/499596737.db2.gz NKIRJJURZDKTIV-RJGXRXQPSA-N 2 1 350.506 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CCC4(C[C@H]4C[N@@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325931 499600706 /nfs/dbraw/zinc/60/07/06/499600706.db2.gz UEGJYPFTPJPVOW-IBGZPJMESA-N 2 1 367.537 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823563 499637796 /nfs/dbraw/zinc/63/77/96/499637796.db2.gz PUXQQZJZTKUBDO-QRQLOZEOSA-N 2 1 361.530 3.238 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000376823563 499637799 /nfs/dbraw/zinc/63/77/99/499637799.db2.gz PUXQQZJZTKUBDO-QRQLOZEOSA-N 2 1 361.530 3.238 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000377166449 499667357 /nfs/dbraw/zinc/66/73/57/499667357.db2.gz DKACAUNGCKTGEY-AQNXPRMDSA-N 2 1 367.493 3.101 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000377166449 499667359 /nfs/dbraw/zinc/66/73/59/499667359.db2.gz DKACAUNGCKTGEY-AQNXPRMDSA-N 2 1 367.493 3.101 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377168041 499667613 /nfs/dbraw/zinc/66/76/13/499667613.db2.gz HXOQEXYVQSFQDI-MSOLQXFVSA-N 2 1 374.529 3.156 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377336617 499681013 /nfs/dbraw/zinc/68/10/13/499681013.db2.gz KUDZPQOCWJCHKN-QGZVFWFLSA-N 2 1 356.466 3.021 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)c2ccc(F)cc2C1 ZINC000377393489 499686425 /nfs/dbraw/zinc/68/64/25/499686425.db2.gz SFDGVXKOCUGJSV-IERDGZPVSA-N 2 1 361.505 3.473 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+]2CCCC[C@H]2C)c2ccc(F)cc2C1 ZINC000377393489 499686426 /nfs/dbraw/zinc/68/64/26/499686426.db2.gz SFDGVXKOCUGJSV-IERDGZPVSA-N 2 1 361.505 3.473 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCCO2 ZINC000377569185 499705443 /nfs/dbraw/zinc/70/54/43/499705443.db2.gz VGXCVEQSIWNCQF-IBGZPJMESA-N 2 1 371.481 3.034 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626230 499712249 /nfs/dbraw/zinc/71/22/49/499712249.db2.gz MEAAAGDZOBJFSL-KNQAVFIVSA-N 2 1 357.542 3.173 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377629199 499712798 /nfs/dbraw/zinc/71/27/98/499712798.db2.gz RAPBSLRSTDAHQG-LJQANCHMSA-N 2 1 372.582 3.057 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377629199 499712799 /nfs/dbraw/zinc/71/27/99/499712799.db2.gz RAPBSLRSTDAHQG-LJQANCHMSA-N 2 1 372.582 3.057 20 0 FGADMP Cc1cc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)ccc1-n1cncn1 ZINC000377705055 499723168 /nfs/dbraw/zinc/72/31/68/499723168.db2.gz RBBJDYWUXGMPHX-UHFFFAOYSA-N 2 1 362.481 3.072 20 0 FGADMP COCCC1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CCCCC1 ZINC000377715009 499724099 /nfs/dbraw/zinc/72/40/99/499724099.db2.gz JCZXDGDUEBXOQA-WCRBZPEASA-N 2 1 363.590 3.216 20 0 FGADMP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000378149579 499761030 /nfs/dbraw/zinc/76/10/30/499761030.db2.gz JPYRYYVEVVZTSF-IAGOWNOFSA-N 2 1 371.529 3.357 20 0 FGADMP CCN1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1c1ncc[nH]1 ZINC000411660657 499774178 /nfs/dbraw/zinc/77/41/78/499774178.db2.gz SXDIQLRWDIPGLS-OAQYLSRUSA-N 2 1 367.541 3.274 20 0 FGADMP CCN1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1c1ncc[nH]1 ZINC000411660657 499774180 /nfs/dbraw/zinc/77/41/80/499774180.db2.gz SXDIQLRWDIPGLS-OAQYLSRUSA-N 2 1 367.541 3.274 20 0 FGADMP CC(CC[NH+]1CC[C@@H](O)CC(C)(C)C1)CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000411801669 499792112 /nfs/dbraw/zinc/79/21/12/499792112.db2.gz ZJNFBYVMKSFOAF-WOJBJXKFSA-N 2 1 368.606 3.369 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414513252 499801398 /nfs/dbraw/zinc/80/13/98/499801398.db2.gz OWLLCJMFDIIVBS-SFHVURJKSA-N 2 1 361.493 3.282 20 0 FGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677135 499820048 /nfs/dbraw/zinc/82/00/48/499820048.db2.gz ONIVOMAZJKUWSG-OLZOCXBDSA-N 2 1 358.313 3.184 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733428 499824512 /nfs/dbraw/zinc/82/45/12/499824512.db2.gz AWMVGQOFBAQLHX-CPUCHLNUSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733428 499824513 /nfs/dbraw/zinc/82/45/13/499824513.db2.gz AWMVGQOFBAQLHX-CPUCHLNUSA-N 2 1 353.304 3.211 20 0 FGADMP COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414759141 499827343 /nfs/dbraw/zinc/82/73/43/499827343.db2.gz NWPXCTAPSHPDRS-ZFWWWQNUSA-N 2 1 358.404 3.069 20 0 FGADMP COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414759141 499827345 /nfs/dbraw/zinc/82/73/45/499827345.db2.gz NWPXCTAPSHPDRS-ZFWWWQNUSA-N 2 1 358.404 3.069 20 0 FGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc(C)c1OC(F)F ZINC000414777419 499829845 /nfs/dbraw/zinc/82/98/45/499829845.db2.gz FHQAGIAUMWAUOM-INIZCTEOSA-N 2 1 354.441 3.092 20 0 FGADMP CCCCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1OC ZINC000414785401 499831049 /nfs/dbraw/zinc/83/10/49/499831049.db2.gz JRKAJEFJXUIZHV-GOSISDBHSA-N 2 1 362.514 3.061 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412188285 499832048 /nfs/dbraw/zinc/83/20/48/499832048.db2.gz VZJKHUWCOBFEAZ-FQEVSTJZSA-N 2 1 357.542 3.380 20 0 FGADMP COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1OC ZINC000414996993 499853176 /nfs/dbraw/zinc/85/31/76/499853176.db2.gz GYABMORWXCGSGX-PKOBYXMFSA-N 2 1 358.457 3.326 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(C(C)(C)C)n1 ZINC000415001292 499853329 /nfs/dbraw/zinc/85/33/29/499853329.db2.gz KYOWAQNRQADOCX-QFBILLFUSA-N 2 1 358.505 3.340 20 0 FGADMP CC(C)CCOc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415049457 499858131 /nfs/dbraw/zinc/85/81/31/499858131.db2.gz HHLVQBHYGNGTDL-UHFFFAOYSA-N 2 1 359.558 3.418 20 0 FGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058732 499859470 /nfs/dbraw/zinc/85/94/70/499859470.db2.gz WCYLZCZXXNCFLE-GDBMZVCRSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058732 499859471 /nfs/dbraw/zinc/85/94/71/499859471.db2.gz WCYLZCZXXNCFLE-GDBMZVCRSA-N 2 1 350.528 3.390 20 0 FGADMP C[C@]1(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]C1 ZINC000415111275 499865120 /nfs/dbraw/zinc/86/51/20/499865120.db2.gz UGHSPCPNBMBTOG-JRGCBEDISA-N 2 1 352.482 3.090 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111908 499865132 /nfs/dbraw/zinc/86/51/32/499865132.db2.gz RJUMFILJQJWXKV-FCHUYYIVSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111908 499865134 /nfs/dbraw/zinc/86/51/34/499865134.db2.gz RJUMFILJQJWXKV-FCHUYYIVSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111908 499865136 /nfs/dbraw/zinc/86/51/36/499865136.db2.gz RJUMFILJQJWXKV-FCHUYYIVSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111908 499865138 /nfs/dbraw/zinc/86/51/38/499865138.db2.gz RJUMFILJQJWXKV-FCHUYYIVSA-N 2 1 373.585 3.363 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3Br)CC2)C1 ZINC000415126094 499867174 /nfs/dbraw/zinc/86/71/74/499867174.db2.gz PDLXMYLXNXSFBB-DOTOQJQBSA-N 2 1 371.294 3.307 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCc2sccc2C1 ZINC000415947268 499932176 /nfs/dbraw/zinc/93/21/76/499932176.db2.gz WHBMZNPUNNLDNK-UHFFFAOYSA-N 2 1 358.511 3.037 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CCc2sccc2C1 ZINC000415947268 499932178 /nfs/dbraw/zinc/93/21/78/499932178.db2.gz WHBMZNPUNNLDNK-UHFFFAOYSA-N 2 1 358.511 3.037 20 0 FGADMP C[C@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000415960969 499933934 /nfs/dbraw/zinc/93/39/34/499933934.db2.gz QYFFHXQAVRFANX-QGZVFWFLSA-N 2 1 352.482 3.131 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970628 499935358 /nfs/dbraw/zinc/93/53/58/499935358.db2.gz FKLOZTHZWYBXCW-KRWDZBQOSA-N 2 1 352.482 3.274 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981363 499937164 /nfs/dbraw/zinc/93/71/64/499937164.db2.gz VLXUUOCSFZQTPF-IRXDYDNUSA-N 2 1 352.482 3.272 20 0 FGADMP CC[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000416005798 499940178 /nfs/dbraw/zinc/94/01/78/499940178.db2.gz IVGKNRSNQYWADB-NRFANRHFSA-N 2 1 364.493 3.418 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429026175 499987107 /nfs/dbraw/zinc/98/71/07/499987107.db2.gz CJUMKSNBPYXTTO-KNQAVFIVSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429026175 499987110 /nfs/dbraw/zinc/98/71/10/499987110.db2.gz CJUMKSNBPYXTTO-KNQAVFIVSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429026175 499987112 /nfs/dbraw/zinc/98/71/12/499987112.db2.gz CJUMKSNBPYXTTO-KNQAVFIVSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429026175 499987114 /nfs/dbraw/zinc/98/71/14/499987114.db2.gz CJUMKSNBPYXTTO-KNQAVFIVSA-N 2 1 360.542 3.060 20 0 FGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000582254312 506170009 /nfs/dbraw/zinc/17/00/09/506170009.db2.gz YBNLIPVFZYRULR-FQEVSTJZSA-N 2 1 358.574 3.368 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417217055 500007996 /nfs/dbraw/zinc/00/79/96/500007996.db2.gz COOXEECJBYXTQB-BBWFWOEESA-N 2 1 360.546 3.262 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417388849 500057928 /nfs/dbraw/zinc/05/79/28/500057928.db2.gz WNAVUCKDDXZRJZ-ICSRJNTNSA-N 2 1 360.542 3.054 20 0 FGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000576505669 506174076 /nfs/dbraw/zinc/17/40/76/506174076.db2.gz LTDGBGSBTGAPED-NRFANRHFSA-N 2 1 369.557 3.059 20 0 FGADMP COC1(C[C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000429520486 500092717 /nfs/dbraw/zinc/09/27/17/500092717.db2.gz SONZZJAVRMSRSY-CTNGQTDRSA-N 2 1 359.558 3.303 20 0 FGADMP COC(=O)[C@H](CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419346 500100394 /nfs/dbraw/zinc/10/03/94/500100394.db2.gz KYVIHJKOFCHZOX-NRSPTQNISA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419346 500100398 /nfs/dbraw/zinc/10/03/98/500100398.db2.gz KYVIHJKOFCHZOX-NRSPTQNISA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419346 500100403 /nfs/dbraw/zinc/10/04/03/500100403.db2.gz KYVIHJKOFCHZOX-NRSPTQNISA-N 2 1 356.510 3.282 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417554808 500107216 /nfs/dbraw/zinc/10/72/16/500107216.db2.gz KKPXCSLHQZFKQJ-WOJBJXKFSA-N 2 1 360.546 3.420 20 0 FGADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000425463823 500113591 /nfs/dbraw/zinc/11/35/91/500113591.db2.gz YPQIGLCWDWMJIS-GOTSBHOMSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000425463823 500113594 /nfs/dbraw/zinc/11/35/94/500113594.db2.gz YPQIGLCWDWMJIS-GOTSBHOMSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000425463823 500113596 /nfs/dbraw/zinc/11/35/96/500113596.db2.gz YPQIGLCWDWMJIS-GOTSBHOMSA-N 2 1 350.506 3.188 20 0 FGADMP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000417581604 500116745 /nfs/dbraw/zinc/11/67/45/500116745.db2.gz TXHDXMGUFBAEPQ-QAPCUYQASA-N 2 1 366.937 3.121 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000429650076 500118227 /nfs/dbraw/zinc/11/82/27/500118227.db2.gz OFURKDXBQYBWNI-YADHBBJMSA-N 2 1 363.505 3.285 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000416861540 500140602 /nfs/dbraw/zinc/14/06/02/500140602.db2.gz XCALEMXQHJVDOE-AUUYWEPGSA-N 2 1 374.916 3.462 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000416870814 500144146 /nfs/dbraw/zinc/14/41/46/500144146.db2.gz IWNFFAYZHNKWTR-KRWDZBQOSA-N 2 1 354.498 3.028 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842371 500162573 /nfs/dbraw/zinc/16/25/73/500162573.db2.gz KVBNPGIQIBOOAE-QHAWAJNXSA-N 2 1 362.489 3.253 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416965252 500168052 /nfs/dbraw/zinc/16/80/52/500168052.db2.gz DGACNRDXFTWVFG-QGZVFWFLSA-N 2 1 360.546 3.045 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416969819 500170288 /nfs/dbraw/zinc/17/02/88/500170288.db2.gz CQXAEPLWHHWSSE-QMMLZNLJSA-N 2 1 372.557 3.378 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000417859541 500185806 /nfs/dbraw/zinc/18/58/06/500185806.db2.gz SBLGMVDUCKLECO-VKJFTORMSA-N 2 1 355.486 3.011 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000417859172 500185910 /nfs/dbraw/zinc/18/59/10/500185910.db2.gz QYLDTVKMSVFCLH-GALXQHASSA-N 2 1 367.497 3.011 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000417870429 500188027 /nfs/dbraw/zinc/18/80/27/500188027.db2.gz FXXVAQKMPZVZDJ-XLIONFOSSA-N 2 1 360.546 3.187 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000417869815 500188177 /nfs/dbraw/zinc/18/81/77/500188177.db2.gz FFIORPSMJARKKO-NRFANRHFSA-N 2 1 360.546 3.189 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126131 500196340 /nfs/dbraw/zinc/19/63/40/500196340.db2.gz CVZRURXMBFTTFI-GOSISDBHSA-N 2 1 364.415 3.419 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126131 500196343 /nfs/dbraw/zinc/19/63/43/500196343.db2.gz CVZRURXMBFTTFI-GOSISDBHSA-N 2 1 364.415 3.419 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C2)C1 ZINC000430126131 500196346 /nfs/dbraw/zinc/19/63/46/500196346.db2.gz CVZRURXMBFTTFI-GOSISDBHSA-N 2 1 364.415 3.419 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3CC[C@H](C(C)C)CC3)CC2)CC1 ZINC000422014044 500197872 /nfs/dbraw/zinc/19/78/72/500197872.db2.gz FQEVUOLJMJUOBF-MXVIHJGJSA-N 2 1 363.590 3.467 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417932027 500199874 /nfs/dbraw/zinc/19/98/74/500199874.db2.gz WKYCTSXIYRBYBB-AYWYSENESA-N 2 1 372.557 3.104 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417933593 500200500 /nfs/dbraw/zinc/20/05/00/500200500.db2.gz XYRPJSIMCFQZDK-MJGOQNOKSA-N 2 1 360.546 3.104 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417933592 500200701 /nfs/dbraw/zinc/20/07/01/500200701.db2.gz XYRPJSIMCFQZDK-IEBWSBKVSA-N 2 1 360.546 3.104 20 0 FGADMP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417983803 500209237 /nfs/dbraw/zinc/20/92/37/500209237.db2.gz CRFZSDCSORMGBB-AZUAARDMSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987409 500210055 /nfs/dbraw/zinc/21/00/55/500210055.db2.gz HSXTZTHAXPCDOG-CVEARBPZSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987409 500210058 /nfs/dbraw/zinc/21/00/58/500210058.db2.gz HSXTZTHAXPCDOG-CVEARBPZSA-N 2 1 370.900 3.041 20 0 FGADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417989791 500210493 /nfs/dbraw/zinc/21/04/93/500210493.db2.gz JSGCYXFEAAASHM-DSKINZAPSA-N 2 1 372.557 3.419 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000425917331 500211613 /nfs/dbraw/zinc/21/16/13/500211613.db2.gz GSQUFBOWHSZYFT-JKSUJKDBSA-N 2 1 352.544 3.251 20 0 FGADMP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418106212 500230554 /nfs/dbraw/zinc/23/05/54/500230554.db2.gz MWMGVEWLEXTSQH-NRFANRHFSA-N 2 1 372.557 3.059 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418161117 500239713 /nfs/dbraw/zinc/23/97/13/500239713.db2.gz SNEFANTYKOIWJC-OALUTQOASA-N 2 1 360.546 3.104 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000418191373 500246329 /nfs/dbraw/zinc/24/63/29/500246329.db2.gz KPLMVJQKGVKEGA-FIKGOQFSSA-N 2 1 366.509 3.169 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541423 500251491 /nfs/dbraw/zinc/25/14/91/500251491.db2.gz INSUKFFQODKULL-JSGCOSHPSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541423 500251493 /nfs/dbraw/zinc/25/14/93/500251493.db2.gz INSUKFFQODKULL-JSGCOSHPSA-N 2 1 358.313 3.011 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418231554 500253366 /nfs/dbraw/zinc/25/33/66/500253366.db2.gz GQHBHXVGLMOLPS-LEWJYISDSA-N 2 1 374.573 3.304 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000430557796 500254247 /nfs/dbraw/zinc/25/42/47/500254247.db2.gz XECBWTBLCCEMPL-UGKGYDQZSA-N 2 1 371.569 3.225 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)CC2)cc1 ZINC000430557796 500254250 /nfs/dbraw/zinc/25/42/50/500254250.db2.gz XECBWTBLCCEMPL-UGKGYDQZSA-N 2 1 371.569 3.225 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430561216 500254619 /nfs/dbraw/zinc/25/46/19/500254619.db2.gz ZFEXUEGTMJUTRZ-LBPRGKRZSA-N 2 1 374.312 3.150 20 0 FGADMP CCCN(C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1)C1CC[NH2+]CC1 ZINC000418241891 500254740 /nfs/dbraw/zinc/25/47/40/500254740.db2.gz KWSZXHNISRLXQD-UHFFFAOYSA-N 2 1 372.557 3.215 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430651672 500266143 /nfs/dbraw/zinc/26/61/43/500266143.db2.gz WGAOKONTLQSAAK-KXBFYZLASA-N 2 1 369.513 3.019 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430651672 500266146 /nfs/dbraw/zinc/26/61/46/500266146.db2.gz WGAOKONTLQSAAK-KXBFYZLASA-N 2 1 369.513 3.019 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430651666 500266182 /nfs/dbraw/zinc/26/61/82/500266182.db2.gz WGAOKONTLQSAAK-BEFAXECRSA-N 2 1 369.513 3.019 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430651666 500266183 /nfs/dbraw/zinc/26/61/83/500266183.db2.gz WGAOKONTLQSAAK-BEFAXECRSA-N 2 1 369.513 3.019 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418350123 500266477 /nfs/dbraw/zinc/26/64/77/500266477.db2.gz QPVDRDFTONZCDT-ZJOUEHCJSA-N 2 1 372.557 3.243 20 0 FGADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)N[C@@H](c1cccs1)c1ccccc1 ZINC000422639390 500284639 /nfs/dbraw/zinc/28/46/39/500284639.db2.gz SPRMZZUERYZMCG-HXUWFJFHSA-N 2 1 369.534 3.172 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422640953 500285049 /nfs/dbraw/zinc/28/50/49/500285049.db2.gz WPTCEWPSBLNAHS-MCIONIFRSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000418525177 500287099 /nfs/dbraw/zinc/28/70/99/500287099.db2.gz XODPHFWVZBONKY-RXVVDRJESA-N 2 1 364.578 3.062 20 0 FGADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC(F)F ZINC000422805117 500300642 /nfs/dbraw/zinc/30/06/42/500300642.db2.gz GHBOXCKAIKGUIA-CJNGLKHVSA-N 2 1 350.409 3.345 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418669148 500304570 /nfs/dbraw/zinc/30/45/70/500304570.db2.gz HYUWILFBGYZNBB-DENIHFKCSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422878620 500309403 /nfs/dbraw/zinc/30/94/03/500309403.db2.gz TYDLHXYAERXXOV-RLCGTCKNSA-N 2 1 369.239 3.437 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886730 500310771 /nfs/dbraw/zinc/31/07/71/500310771.db2.gz XIQHKGIYQMESOL-TWHAJKEOSA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886730 500310773 /nfs/dbraw/zinc/31/07/73/500310773.db2.gz XIQHKGIYQMESOL-TWHAJKEOSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886730 500310775 /nfs/dbraw/zinc/31/07/75/500310775.db2.gz XIQHKGIYQMESOL-TWHAJKEOSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892055 500311595 /nfs/dbraw/zinc/31/15/95/500311595.db2.gz LWSXYYQAJKBPSC-VQQMMKBISA-N 2 1 359.558 3.021 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422904705 500314400 /nfs/dbraw/zinc/31/44/00/500314400.db2.gz XYAFVGQQOPQCJP-VHSSKADRSA-N 2 1 366.383 3.180 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CCCc2ccccc2)C1=O ZINC000422922560 500317105 /nfs/dbraw/zinc/31/71/05/500317105.db2.gz UALDBUNWIPXWFJ-HLAWJBBLSA-N 2 1 357.542 3.121 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768415 500320550 /nfs/dbraw/zinc/32/05/50/500320550.db2.gz MBHMTWDGFKYZRI-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc(Br)c1OC ZINC000422947706 500321985 /nfs/dbraw/zinc/32/19/85/500321985.db2.gz QZKMJOXUIDOUIM-UONOGXRCSA-N 2 1 357.292 3.216 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952078 500322657 /nfs/dbraw/zinc/32/26/57/500322657.db2.gz BNMPAJHIVCARHT-RDTXWAMCSA-N 2 1 370.884 3.481 20 0 FGADMP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422997314 500329310 /nfs/dbraw/zinc/32/93/10/500329310.db2.gz NMFBDCRYGDUACZ-NYVOZVTQSA-N 2 1 359.558 3.446 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423012373 500331105 /nfs/dbraw/zinc/33/11/05/500331105.db2.gz KOLFSQHQNSTVRO-DZGCQCFKSA-N 2 1 353.388 3.027 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056368 500348890 /nfs/dbraw/zinc/34/88/90/500348890.db2.gz FEZHTTZCZGIYEL-HJNYFJLDSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056368 500348892 /nfs/dbraw/zinc/34/88/92/500348892.db2.gz FEZHTTZCZGIYEL-HJNYFJLDSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056368 500348896 /nfs/dbraw/zinc/34/88/96/500348896.db2.gz FEZHTTZCZGIYEL-HJNYFJLDSA-N 2 1 367.537 3.126 20 0 FGADMP C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCCC[NH2+]1 ZINC000423158747 500350090 /nfs/dbraw/zinc/35/00/90/500350090.db2.gz XDYNSIKSKMGUNH-YEWWUXTCSA-N 2 1 360.452 3.263 20 0 FGADMP Fc1ccc(F)c([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc2Cl)c1 ZINC000423200245 500355009 /nfs/dbraw/zinc/35/50/09/500355009.db2.gz FBMBMPWGZMRDMW-LJQANCHMSA-N 2 1 365.855 3.202 20 0 FGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423302940 500362779 /nfs/dbraw/zinc/36/27/79/500362779.db2.gz ICKKKJUKKJKERH-UGSOOPFHSA-N 2 1 366.914 3.017 20 0 FGADMP CCOC(=O)C1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369347 500367936 /nfs/dbraw/zinc/36/79/36/500367936.db2.gz OKPPSARLUVHPLN-UGSUZCALSA-N 2 1 366.452 3.122 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(I)c1 ZINC000423394057 500370259 /nfs/dbraw/zinc/37/02/59/500370259.db2.gz ZJQVPPWJADRQLP-FOGDFJRCSA-N 2 1 362.230 3.221 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427274245 500376228 /nfs/dbraw/zinc/37/62/28/500376228.db2.gz LJFGVDVAHCXIAH-OALUTQOASA-N 2 1 357.542 3.315 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427280835 500377309 /nfs/dbraw/zinc/37/73/09/500377309.db2.gz MDTMRODQUVUFOT-GHTZIAJQSA-N 2 1 371.569 3.355 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)cc1 ZINC000423507959 500380221 /nfs/dbraw/zinc/38/02/21/500380221.db2.gz KGDXGDOMDDTBNK-NNGSBXSVSA-N 2 1 366.347 3.316 20 0 FGADMP COc1cccc2cc([C@@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc21 ZINC000423507546 500380658 /nfs/dbraw/zinc/38/06/58/500380658.db2.gz JMHSAZOECDPBHD-FAEJEUNOSA-N 2 1 357.498 3.308 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1OC(F)(F)F ZINC000423522646 500381727 /nfs/dbraw/zinc/38/17/27/500381727.db2.gz VCQMPXGTJRNLOY-QQFBHYJXSA-N 2 1 371.447 3.452 20 0 FGADMP C[C@H](NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1)c1ccc(C2CC2)cc1 ZINC000419590155 500382206 /nfs/dbraw/zinc/38/22/06/500382206.db2.gz SWXIFHKBSGLDAP-KRWDZBQOSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)c1ccc(C2CC2)cc1 ZINC000419590155 500382208 /nfs/dbraw/zinc/38/22/08/500382208.db2.gz SWXIFHKBSGLDAP-KRWDZBQOSA-N 2 1 372.557 3.292 20 0 FGADMP CC(C)n1cc([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000423564181 500384803 /nfs/dbraw/zinc/38/48/03/500384803.db2.gz LFMNGBHZACNNAR-GOSISDBHSA-N 2 1 355.530 3.108 20 0 FGADMP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423637257 500390864 /nfs/dbraw/zinc/39/08/64/500390864.db2.gz RDURQAVKSQPPER-MSOLQXFVSA-N 2 1 358.530 3.223 20 0 FGADMP Cc1ccc([C@@H](N)C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000423742909 500398359 /nfs/dbraw/zinc/39/83/59/500398359.db2.gz LSDQAMJPLUWPSX-OXJNMPFZSA-N 2 1 355.457 3.039 20 0 FGADMP COc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652417 500403811 /nfs/dbraw/zinc/40/38/11/500403811.db2.gz CEKFGNQLPGPEER-TZIWHRDSSA-N 2 1 373.541 3.213 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811574 500404146 /nfs/dbraw/zinc/40/41/46/500404146.db2.gz CBPIBRFYIOBZPL-BJLQDIEVSA-N 2 1 357.885 3.076 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811574 500404149 /nfs/dbraw/zinc/40/41/49/500404149.db2.gz CBPIBRFYIOBZPL-BJLQDIEVSA-N 2 1 357.885 3.076 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656134 500404232 /nfs/dbraw/zinc/40/42/32/500404232.db2.gz VFRJZASMGLPTNL-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP CC[C@H]1CN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423819375 500405997 /nfs/dbraw/zinc/40/59/97/500405997.db2.gz FUKJKHXKVQSPJB-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423831420 500408218 /nfs/dbraw/zinc/40/82/18/500408218.db2.gz QYOFDZHQSFNPOR-BPQTVZERSA-N 2 1 367.484 3.224 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[C@@H](C)[NH3+] ZINC000423831420 500408219 /nfs/dbraw/zinc/40/82/19/500408219.db2.gz QYOFDZHQSFNPOR-BPQTVZERSA-N 2 1 367.484 3.224 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423831421 500408337 /nfs/dbraw/zinc/40/83/37/500408337.db2.gz WBCLPTKCEHDKCD-HMXCVIKNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423899458 500417258 /nfs/dbraw/zinc/41/72/58/500417258.db2.gz JETMBHPCQBOLFD-DYXWJJEUSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423906557 500418085 /nfs/dbraw/zinc/41/80/85/500418085.db2.gz QLRJVGIIESFRLC-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H]4CCC[C@@H](C3)[NH2+]4)c2c1C ZINC000420237862 500427633 /nfs/dbraw/zinc/42/76/33/500427633.db2.gz MHKSBFOGFUATAN-IYBDPMFKSA-N 2 1 371.554 3.235 20 0 FGADMP Cn1nc(CCC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420295370 500435764 /nfs/dbraw/zinc/43/57/64/500435764.db2.gz ADEXPRDZKKOMAG-QGZVFWFLSA-N 2 1 358.505 3.480 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313162 500438899 /nfs/dbraw/zinc/43/88/99/500438899.db2.gz XPRMJHFRRVGGKQ-CTNGQTDRSA-N 2 1 354.494 3.276 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324178 500441597 /nfs/dbraw/zinc/44/15/97/500441597.db2.gz GWVLTTJEYZNXKJ-RTWAWAEBSA-N 2 1 355.526 3.134 20 0 FGADMP Cc1sc2[nH]c([C@H](C)[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc(=O)c2c1C ZINC000420340623 500444747 /nfs/dbraw/zinc/44/47/47/500444747.db2.gz MXHYUCZGEBIBKA-CFVMTHIKSA-N 2 1 360.527 3.396 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420385662 500452754 /nfs/dbraw/zinc/45/27/54/500452754.db2.gz UCVPEVUWTZUJSS-OPYAIIAOSA-N 2 1 365.521 3.197 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420385662 500452756 /nfs/dbraw/zinc/45/27/56/500452756.db2.gz UCVPEVUWTZUJSS-OPYAIIAOSA-N 2 1 365.521 3.197 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388706 500453217 /nfs/dbraw/zinc/45/32/17/500453217.db2.gz XIGGMZZGPWHWLG-WFASDCNBSA-N 2 1 369.391 3.034 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004229 500457233 /nfs/dbraw/zinc/45/72/33/500457233.db2.gz FTPZPVHZDVGCQH-APWZRJJASA-N 2 1 363.521 3.273 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004229 500457234 /nfs/dbraw/zinc/45/72/34/500457234.db2.gz FTPZPVHZDVGCQH-APWZRJJASA-N 2 1 363.521 3.273 20 0 FGADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000424214186 500469798 /nfs/dbraw/zinc/46/97/98/500469798.db2.gz BTVDUSLYEZSZPC-YCZSINBZSA-N 2 1 363.505 3.055 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283333 500481225 /nfs/dbraw/zinc/48/12/25/500481225.db2.gz BJSIHXVTJYWLDU-CQSZACIVSA-N 2 1 365.905 3.141 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297578 500483122 /nfs/dbraw/zinc/48/31/22/500483122.db2.gz SYROPUHKISWDQM-JKSUJKDBSA-N 2 1 363.933 3.323 20 0 FGADMP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424316251 500485958 /nfs/dbraw/zinc/48/59/58/500485958.db2.gz CVTIZESOBATEDG-LNRXMEIDSA-N 2 1 369.553 3.135 20 0 FGADMP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000424316049 500485994 /nfs/dbraw/zinc/48/59/94/500485994.db2.gz CVTIZESOBATEDG-DXBBTUNJSA-N 2 1 369.553 3.135 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000424426973 500502051 /nfs/dbraw/zinc/50/20/51/500502051.db2.gz BKWKKXCCAQHQJG-IBGZPJMESA-N 2 1 366.509 3.140 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000428473233 500514909 /nfs/dbraw/zinc/51/49/09/500514909.db2.gz LWRWZPVTGBAXNI-AFXVXQJMSA-N 2 1 372.553 3.462 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853215 500515735 /nfs/dbraw/zinc/51/57/35/500515735.db2.gz XWVDKICXVLPMHN-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853215 500515737 /nfs/dbraw/zinc/51/57/37/500515737.db2.gz XWVDKICXVLPMHN-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420899858 500526099 /nfs/dbraw/zinc/52/60/99/500526099.db2.gz JUXDFXODWUGBFN-QNGMFEMESA-N 2 1 372.557 3.023 20 0 FGADMP c1csc([C@@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000420908300 500527574 /nfs/dbraw/zinc/52/75/74/500527574.db2.gz WMJZUJJSZZDFRX-LJQANCHMSA-N 2 1 357.523 3.355 20 0 FGADMP c1csc([C@@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000420908300 500527576 /nfs/dbraw/zinc/52/75/76/500527576.db2.gz WMJZUJJSZZDFRX-LJQANCHMSA-N 2 1 357.523 3.355 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CCCC2)CC1 ZINC000428697540 500545546 /nfs/dbraw/zinc/54/55/46/500545546.db2.gz AYRQCTSCIWTHRF-IBGZPJMESA-N 2 1 372.557 3.387 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000420980739 500546614 /nfs/dbraw/zinc/54/66/14/500546614.db2.gz LVMAJRDGZKUKJQ-UHFFFAOYSA-N 2 1 367.484 3.280 20 0 FGADMP CC(C)N1CCC[C@@H]([N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000433048153 500613558 /nfs/dbraw/zinc/61/35/58/500613558.db2.gz MCMOHTHJTCUNEK-OAQYLSRUSA-N 2 1 369.553 3.374 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000433065288 500617751 /nfs/dbraw/zinc/61/77/51/500617751.db2.gz DPKPLWBURYROKN-YPAWHYETSA-N 2 1 365.521 3.259 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccccc1Oc1ccccc1 ZINC000442759103 500621193 /nfs/dbraw/zinc/62/11/93/500621193.db2.gz KGBLOTJWSGHTKQ-IAGOWNOFSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782762 500624979 /nfs/dbraw/zinc/62/49/79/500624979.db2.gz RZUFBYMJQIIFHX-ZOCZFRKYSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782762 500624981 /nfs/dbraw/zinc/62/49/81/500624981.db2.gz RZUFBYMJQIIFHX-ZOCZFRKYSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801395 500627887 /nfs/dbraw/zinc/62/78/87/500627887.db2.gz OMSZRBDQTAHAHV-AVRDEDQJSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801395 500627888 /nfs/dbraw/zinc/62/78/88/500627888.db2.gz OMSZRBDQTAHAHV-AVRDEDQJSA-N 2 1 363.505 3.424 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597681 500631112 /nfs/dbraw/zinc/63/11/12/500631112.db2.gz TUQXBJWHEPMPBW-UKIFCOJHSA-N 2 1 370.537 3.498 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)cn1 ZINC000433188222 500642106 /nfs/dbraw/zinc/64/21/06/500642106.db2.gz BMUIECCWCZLRBH-UHFFFAOYSA-N 2 1 354.498 3.288 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000433188222 500642109 /nfs/dbraw/zinc/64/21/09/500642109.db2.gz BMUIECCWCZLRBH-UHFFFAOYSA-N 2 1 354.498 3.288 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442901214 500644331 /nfs/dbraw/zinc/64/43/31/500644331.db2.gz NZSWHWGCZRQUJT-NFBKMPQASA-N 2 1 369.553 3.279 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000443061105 500671698 /nfs/dbraw/zinc/67/16/98/500671698.db2.gz QXVNJSPYTLGHDH-KRWDZBQOSA-N 2 1 353.466 3.478 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064948 500672241 /nfs/dbraw/zinc/67/22/41/500672241.db2.gz ZCJTZXWZRQBSIT-IRLDBZIGSA-N 2 1 365.521 3.147 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433560214 500712615 /nfs/dbraw/zinc/71/26/15/500712615.db2.gz LCVZDCFZKWYVKR-OAQYLSRUSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433560214 500712616 /nfs/dbraw/zinc/71/26/16/500712616.db2.gz LCVZDCFZKWYVKR-OAQYLSRUSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433560214 500712619 /nfs/dbraw/zinc/71/26/19/500712619.db2.gz LCVZDCFZKWYVKR-OAQYLSRUSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968267 500722503 /nfs/dbraw/zinc/72/25/03/500722503.db2.gz GFZFTEJXUISSNQ-GCJKJVERSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968267 500722507 /nfs/dbraw/zinc/72/25/07/500722507.db2.gz GFZFTEJXUISSNQ-GCJKJVERSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968267 500722511 /nfs/dbraw/zinc/72/25/11/500722511.db2.gz GFZFTEJXUISSNQ-GCJKJVERSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968267 500722513 /nfs/dbraw/zinc/72/25/13/500722513.db2.gz GFZFTEJXUISSNQ-GCJKJVERSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968267 500722517 /nfs/dbraw/zinc/72/25/17/500722517.db2.gz GFZFTEJXUISSNQ-GCJKJVERSA-N 2 1 356.485 3.498 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000438145590 500745085 /nfs/dbraw/zinc/74/50/85/500745085.db2.gz NMYXSYSALBNBOX-PMACEKPBSA-N 2 1 362.562 3.053 20 0 FGADMP CN1CC[N@@H+](C)C[C@H]1CNc1cc[nH+]c2ccc(Oc3ccccc3)cc12 ZINC000434099713 500795395 /nfs/dbraw/zinc/79/53/95/500795395.db2.gz KKIIOUAVUMEGPD-QGZVFWFLSA-N 2 1 362.477 3.107 20 0 FGADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000439026250 500848689 /nfs/dbraw/zinc/84/86/89/500848689.db2.gz LHILHEBEPYOTMV-KRWDZBQOSA-N 2 1 371.550 3.085 20 0 FGADMP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000439026250 500848691 /nfs/dbraw/zinc/84/86/91/500848691.db2.gz LHILHEBEPYOTMV-KRWDZBQOSA-N 2 1 371.550 3.085 20 0 FGADMP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688157 500879447 /nfs/dbraw/zinc/87/94/47/500879447.db2.gz IYKYKKFUALKMEV-IRXDYDNUSA-N 2 1 358.530 3.188 20 0 FGADMP C[C@@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1 ZINC000434696763 500880250 /nfs/dbraw/zinc/88/02/50/500880250.db2.gz HUAHRPNUTVFEOT-JTSKRJEESA-N 2 1 361.489 3.476 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449026609 500903225 /nfs/dbraw/zinc/90/32/25/500903225.db2.gz JJTOWSFLCUOZBL-UHFFFAOYSA-N 2 1 355.482 3.426 20 0 FGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449033944 500906429 /nfs/dbraw/zinc/90/64/29/500906429.db2.gz BIVQGDZNFKPJTG-AVRDEDQJSA-N 2 1 367.537 3.306 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449033944 500906432 /nfs/dbraw/zinc/90/64/32/500906432.db2.gz BIVQGDZNFKPJTG-AVRDEDQJSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000449075284 500918505 /nfs/dbraw/zinc/91/85/05/500918505.db2.gz MOKSOGCPSSOWHV-UTKZUKDTSA-N 2 1 352.526 3.483 20 0 FGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081674 500920411 /nfs/dbraw/zinc/92/04/11/500920411.db2.gz HBOZUROXWNNBNG-QZTJIDSGSA-N 2 1 366.571 3.295 20 0 FGADMP C[C@@H](C[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449086168 500921910 /nfs/dbraw/zinc/92/19/10/500921910.db2.gz QRSVKOOPUXYHAW-UWVAXJGDSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095877 500923967 /nfs/dbraw/zinc/92/39/67/500923967.db2.gz CEILHYIKIGIGOQ-XMTFNYHQSA-N 2 1 366.571 3.150 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095877 500923971 /nfs/dbraw/zinc/92/39/71/500923971.db2.gz CEILHYIKIGIGOQ-XMTFNYHQSA-N 2 1 366.571 3.150 20 0 FGADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160794 500937034 /nfs/dbraw/zinc/93/70/34/500937034.db2.gz COMUPDVAOQZFNV-KKSFZXQISA-N 2 1 360.448 3.295 20 0 FGADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160794 500937038 /nfs/dbraw/zinc/93/70/38/500937038.db2.gz COMUPDVAOQZFNV-KKSFZXQISA-N 2 1 360.448 3.295 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449168326 500939502 /nfs/dbraw/zinc/93/95/02/500939502.db2.gz MASZPDLEDDPKSV-BRWVUGGUSA-N 2 1 351.922 3.226 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449168326 500939506 /nfs/dbraw/zinc/93/95/06/500939506.db2.gz MASZPDLEDDPKSV-BRWVUGGUSA-N 2 1 351.922 3.226 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000449204662 500947332 /nfs/dbraw/zinc/94/73/32/500947332.db2.gz JYQLMIZLDOLSAK-FHLIZLRMSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2c3ccccc3C[C@H]2O)CC1 ZINC000449219799 500951223 /nfs/dbraw/zinc/95/12/23/500951223.db2.gz OETNXGKMXOHTSR-IMRHEYAYSA-N 2 1 350.506 3.330 20 0 FGADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435372980 500961431 /nfs/dbraw/zinc/96/14/31/500961431.db2.gz CJSBUMXJRLBILC-UWJYYQICSA-N 2 1 361.493 3.163 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435372980 500961433 /nfs/dbraw/zinc/96/14/33/500961433.db2.gz CJSBUMXJRLBILC-UWJYYQICSA-N 2 1 361.493 3.163 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc4ccccc4nc3N3CCCCC3)C[C@@H]12 ZINC000435379301 500964010 /nfs/dbraw/zinc/96/40/10/500964010.db2.gz LZMXTPUUJGYJNO-DFQSSKMNSA-N 2 1 350.510 3.394 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@@H]12 ZINC000435388599 500965553 /nfs/dbraw/zinc/96/55/53/500965553.db2.gz HLVRJUMSJFQMPY-KBAYOESNSA-N 2 1 364.415 3.119 20 0 FGADMP c1cnn(-c2ccc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2)c1 ZINC000435393123 500967671 /nfs/dbraw/zinc/96/76/71/500967671.db2.gz ZDMJLOBTGBUYFL-NRFANRHFSA-N 2 1 361.493 3.412 20 0 FGADMP c1cnn(-c2ccc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)cc2)c1 ZINC000435393123 500967673 /nfs/dbraw/zinc/96/76/73/500967673.db2.gz ZDMJLOBTGBUYFL-NRFANRHFSA-N 2 1 361.493 3.412 20 0 FGADMP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435447735 500979451 /nfs/dbraw/zinc/97/94/51/500979451.db2.gz QXFVIEIRGZRMKL-CQSZACIVSA-N 2 1 369.303 3.184 20 0 FGADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343930 500982932 /nfs/dbraw/zinc/98/29/32/500982932.db2.gz OFTDTODFEITDIE-RLLQIKCJSA-N 2 1 360.567 3.256 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C[C@@H]1C ZINC000440185765 500985448 /nfs/dbraw/zinc/98/54/48/500985448.db2.gz LACZOBMNIDPUIR-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C[C@@H]1C ZINC000440185765 500985451 /nfs/dbraw/zinc/98/54/51/500985451.db2.gz LACZOBMNIDPUIR-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C[C@@H]1C ZINC000440185765 500985453 /nfs/dbraw/zinc/98/54/53/500985453.db2.gz LACZOBMNIDPUIR-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449386090 500991711 /nfs/dbraw/zinc/99/17/11/500991711.db2.gz SGVFFOWFMCLRGD-MJGOQNOKSA-N 2 1 366.571 3.294 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611707 501001938 /nfs/dbraw/zinc/00/19/38/501001938.db2.gz CDDDOEBPMUXWAM-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611707 501001939 /nfs/dbraw/zinc/00/19/39/501001939.db2.gz CDDDOEBPMUXWAM-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(F)c1SC ZINC000435697094 501013959 /nfs/dbraw/zinc/01/39/59/501013959.db2.gz MKBMDCNBNVQCFQ-OAHLLOKOSA-N 2 1 367.534 3.036 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000449557563 501033136 /nfs/dbraw/zinc/03/31/36/501033136.db2.gz UZNZMRBFURXMHP-DXIQSLLYSA-N 2 1 371.569 3.200 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000445805026 501034950 /nfs/dbraw/zinc/03/49/50/501034950.db2.gz FOPAVXPAQGPYGJ-AWEZNQCLSA-N 2 1 371.294 3.385 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000445805026 501034953 /nfs/dbraw/zinc/03/49/53/501034953.db2.gz FOPAVXPAQGPYGJ-AWEZNQCLSA-N 2 1 371.294 3.385 20 0 FGADMP CO[C@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@H](OC)C3)ccc2F)C1 ZINC000450344235 501096156 /nfs/dbraw/zinc/09/61/56/501096156.db2.gz AVCAAEJWRBUYGF-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](OC)C3)ccc2F)C1 ZINC000450344235 501096158 /nfs/dbraw/zinc/09/61/58/501096158.db2.gz AVCAAEJWRBUYGF-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000450344235 501096160 /nfs/dbraw/zinc/09/61/60/501096160.db2.gz AVCAAEJWRBUYGF-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000450344235 501096162 /nfs/dbraw/zinc/09/61/62/501096162.db2.gz AVCAAEJWRBUYGF-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000446615425 501141488 /nfs/dbraw/zinc/14/14/88/501141488.db2.gz NNCQRTTUXNZEPF-OAHLLOKOSA-N 2 1 355.486 3.025 20 0 FGADMP CCc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000450542003 501149676 /nfs/dbraw/zinc/14/96/76/501149676.db2.gz GCCRXNUJJFRAMC-HXUWFJFHSA-N 2 1 365.521 3.407 20 0 FGADMP C[N@@H+](CCc1cscn1)[C@@H]1CCCN(CCc2cscn2)CC1 ZINC000450617406 501167056 /nfs/dbraw/zinc/16/70/56/501167056.db2.gz SURMPIHDDFEJJV-QGZVFWFLSA-N 2 1 350.557 3.171 20 0 FGADMP C[N@H+](CCc1cscn1)[C@@H]1CCC[NH+](CCc2cscn2)CC1 ZINC000450617406 501167057 /nfs/dbraw/zinc/16/70/57/501167057.db2.gz SURMPIHDDFEJJV-QGZVFWFLSA-N 2 1 350.557 3.171 20 0 FGADMP C[N@@H+](CCc1cscn1)[C@@H]1CCC[NH+](CCc2cscn2)CC1 ZINC000450617406 501167058 /nfs/dbraw/zinc/16/70/58/501167058.db2.gz SURMPIHDDFEJJV-QGZVFWFLSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cscn1)[C@@H]1CCC[N@H+](CCc2cscn2)CC1 ZINC000450617406 501167059 /nfs/dbraw/zinc/16/70/59/501167059.db2.gz SURMPIHDDFEJJV-QGZVFWFLSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cscn1)[C@@H]1CCC[N@@H+](CCc2cscn2)CC1 ZINC000450617406 501167060 /nfs/dbraw/zinc/16/70/60/501167060.db2.gz SURMPIHDDFEJJV-QGZVFWFLSA-N 2 1 350.557 3.171 20 0 FGADMP C=Cn1cc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000446816705 501168014 /nfs/dbraw/zinc/16/80/14/501168014.db2.gz GSIQWARSXPBWPZ-KDURUIRLSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967738 501188178 /nfs/dbraw/zinc/18/81/78/501188178.db2.gz UHCKDRINBAXXPC-YJBOKZPZSA-N 2 1 357.523 3.375 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967738 501188181 /nfs/dbraw/zinc/18/81/81/501188181.db2.gz UHCKDRINBAXXPC-YJBOKZPZSA-N 2 1 357.523 3.375 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC(F)(F)F ZINC000451170340 501249683 /nfs/dbraw/zinc/24/96/83/501249683.db2.gz DDHAOGJAMYSZKJ-MRXNPFEDSA-N 2 1 363.468 3.174 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)c1ccco1 ZINC000453071957 501262813 /nfs/dbraw/zinc/26/28/13/501262813.db2.gz MVUYHVTVAFAWPZ-AQNXPRMDSA-N 2 1 367.493 3.042 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccncc1 ZINC000453107710 501271259 /nfs/dbraw/zinc/27/12/59/501271259.db2.gz JINYLDOHGIYXGT-SFTDATJTSA-N 2 1 366.509 3.020 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)no1 ZINC000453128468 501274783 /nfs/dbraw/zinc/27/47/83/501274783.db2.gz DIIALLUAXBYGNB-GUDVDZBRSA-N 2 1 354.498 3.207 20 0 FGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CC2 ZINC000453140011 501277503 /nfs/dbraw/zinc/27/75/03/501277503.db2.gz FUVRKNHFSGADDB-WKDRNLAYSA-N 2 1 350.510 3.300 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)nc1 ZINC000453179892 501286532 /nfs/dbraw/zinc/28/65/32/501286532.db2.gz PPQOVOHSAFZTKM-NJYVYQBISA-N 2 1 350.510 3.360 20 0 FGADMP C[N@@H+](CCCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000455620044 501348703 /nfs/dbraw/zinc/34/87/03/501348703.db2.gz RSTJJHPITJQGNV-UHFFFAOYSA-N 2 1 366.594 3.403 20 0 FGADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229434 501399077 /nfs/dbraw/zinc/39/90/77/501399077.db2.gz UZYNLTBLVXTOOM-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229434 501399080 /nfs/dbraw/zinc/39/90/80/501399080.db2.gz UZYNLTBLVXTOOM-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000458229434 501399083 /nfs/dbraw/zinc/39/90/83/501399083.db2.gz UZYNLTBLVXTOOM-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000458229434 501399086 /nfs/dbraw/zinc/39/90/86/501399086.db2.gz UZYNLTBLVXTOOM-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000458514139 501463389 /nfs/dbraw/zinc/46/33/89/501463389.db2.gz CHDDILKCYUAKDG-UZLBHIALSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000458514139 501463392 /nfs/dbraw/zinc/46/33/92/501463392.db2.gz CHDDILKCYUAKDG-UZLBHIALSA-N 2 1 369.513 3.366 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCCCC[N@@H+](C)C3CC3)CC2)CC1 ZINC000458568686 501476331 /nfs/dbraw/zinc/47/63/31/501476331.db2.gz LDJIDZTWGYFUNP-UHFFFAOYSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458663792 501502162 /nfs/dbraw/zinc/50/21/62/501502162.db2.gz FUAYYMBDBIBAKB-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358532 501522096 /nfs/dbraw/zinc/52/20/96/501522096.db2.gz GRXINQMSPZZSHK-FPOVZHCZSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972863 501568381 /nfs/dbraw/zinc/56/83/81/501568381.db2.gz LGCZSFFSCRQFPD-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972863 501568384 /nfs/dbraw/zinc/56/83/84/501568384.db2.gz LGCZSFFSCRQFPD-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972863 501568387 /nfs/dbraw/zinc/56/83/87/501568387.db2.gz LGCZSFFSCRQFPD-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000459254092 501619818 /nfs/dbraw/zinc/61/98/18/501619818.db2.gz HQPJESQAKQIILY-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000459254092 501619820 /nfs/dbraw/zinc/61/98/20/501619820.db2.gz HQPJESQAKQIILY-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000459254092 501619822 /nfs/dbraw/zinc/61/98/22/501619822.db2.gz HQPJESQAKQIILY-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP CC1(c2ccccc2)CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459441421 501654387 /nfs/dbraw/zinc/65/43/87/501654387.db2.gz VVMXRCMICIGJGJ-VNXZQDSDSA-N 2 1 350.506 3.333 20 0 FGADMP CC1(c2ccccc2)CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000459441421 501654388 /nfs/dbraw/zinc/65/43/88/501654388.db2.gz VVMXRCMICIGJGJ-VNXZQDSDSA-N 2 1 350.506 3.333 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000455118548 501691286 /nfs/dbraw/zinc/69/12/86/501691286.db2.gz POZYGOHYVZCBFL-UHFFFAOYSA-N 2 1 372.557 3.088 20 0 FGADMP Cn1c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)nc2cc(C(F)(F)F)ccc21 ZINC000459733427 501705818 /nfs/dbraw/zinc/70/58/18/501705818.db2.gz NMWMCHRYBZNWKF-CYBMUJFWSA-N 2 1 354.420 3.414 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000467197311 501734660 /nfs/dbraw/zinc/73/46/60/501734660.db2.gz SKVLBTSVOLXZMQ-UHFFFAOYSA-N 2 1 371.481 3.292 20 0 FGADMP C[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669368 501760750 /nfs/dbraw/zinc/76/07/50/501760750.db2.gz JXQGROKOMOWCCB-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736892 501787205 /nfs/dbraw/zinc/78/72/05/501787205.db2.gz KXUFGMLUJYGOQJ-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470736892 501787207 /nfs/dbraw/zinc/78/72/07/501787207.db2.gz KXUFGMLUJYGOQJ-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470736892 501787208 /nfs/dbraw/zinc/78/72/08/501787208.db2.gz KXUFGMLUJYGOQJ-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324325 501790473 /nfs/dbraw/zinc/79/04/73/501790473.db2.gz DLVAMUQMKYMNQN-RTWAWAEBSA-N 2 1 369.484 3.209 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324325 501790482 /nfs/dbraw/zinc/79/04/82/501790482.db2.gz DLVAMUQMKYMNQN-RTWAWAEBSA-N 2 1 369.484 3.209 20 0 FGADMP CC(C)[C@H]1CN(Cc2ccccc2CN2CCO[C@@H](C(C)C)C2)CCO1 ZINC000481497350 501791853 /nfs/dbraw/zinc/79/18/53/501791853.db2.gz QGJFTWUTEDYWKE-FGZHOGPDSA-N 2 1 360.542 3.400 20 0 FGADMP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474337647 501795980 /nfs/dbraw/zinc/79/59/80/501795980.db2.gz OTYGDPNRXBHJJP-OAQYLSRUSA-N 2 1 366.509 3.486 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460359439 501803870 /nfs/dbraw/zinc/80/38/70/501803870.db2.gz FNSWPKPBHNMKJP-GUDVDZBRSA-N 2 1 374.573 3.171 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC(C)(C)C[NH+](C)C)c2C)cc1 ZINC000463749286 501811093 /nfs/dbraw/zinc/81/10/93/501811093.db2.gz UWKKMEGCILYLEH-UHFFFAOYSA-N 2 1 358.530 3.234 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)n1 ZINC000477859775 501812232 /nfs/dbraw/zinc/81/22/32/501812232.db2.gz UTXSMDAOHZLTQN-DLBZAZTESA-N 2 1 371.506 3.313 20 0 FGADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)c(F)c1 ZINC000477916056 501827946 /nfs/dbraw/zinc/82/79/46/501827946.db2.gz QCMYPMSIJICUAK-IBGZPJMESA-N 2 1 374.475 3.370 20 0 FGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000474464490 501845144 /nfs/dbraw/zinc/84/51/44/501845144.db2.gz POTKKULXSZNUDL-YADHBBJMSA-N 2 1 359.558 3.119 20 0 FGADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000474480089 501849956 /nfs/dbraw/zinc/84/99/56/501849956.db2.gz DGERLWHQOVZIBF-NHCUHLMSSA-N 2 1 357.542 3.379 20 0 FGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641026 501885738 /nfs/dbraw/zinc/88/57/38/501885738.db2.gz YRMUILITJYFDMY-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1Cl ZINC000485671083 501894535 /nfs/dbraw/zinc/89/45/35/501894535.db2.gz INDODQROEFXQHZ-HNNXBMFYSA-N 2 1 365.905 3.095 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474700694 501926032 /nfs/dbraw/zinc/92/60/32/501926032.db2.gz IDYRZESVSDTVIW-FQEVSTJZSA-N 2 1 363.521 3.418 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474700694 501926037 /nfs/dbraw/zinc/92/60/37/501926037.db2.gz IDYRZESVSDTVIW-FQEVSTJZSA-N 2 1 363.521 3.418 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474772039 501947646 /nfs/dbraw/zinc/94/76/46/501947646.db2.gz XHKBFPPENFUVSK-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474772039 501947649 /nfs/dbraw/zinc/94/76/49/501947649.db2.gz XHKBFPPENFUVSK-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244295 501966108 /nfs/dbraw/zinc/96/61/08/501966108.db2.gz PFOXBUREHOXWQN-YOEHRIQHSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244295 501966113 /nfs/dbraw/zinc/96/61/13/501966113.db2.gz PFOXBUREHOXWQN-YOEHRIQHSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244295 501966118 /nfs/dbraw/zinc/96/61/18/501966118.db2.gz PFOXBUREHOXWQN-YOEHRIQHSA-N 2 1 355.320 3.490 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756664 506285890 /nfs/dbraw/zinc/28/58/90/506285890.db2.gz BFGYTZVPTFWKCQ-UNMCSNQZSA-N 2 1 369.553 3.056 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000482146902 501988664 /nfs/dbraw/zinc/98/86/64/501988664.db2.gz PXKALRSFMWJNAP-SQNIBIBYSA-N 2 1 363.550 3.281 20 0 FGADMP C[C@H](CNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000468311489 502021350 /nfs/dbraw/zinc/02/13/50/502021350.db2.gz WKQDLESAMITFSN-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475018422 502022356 /nfs/dbraw/zinc/02/23/56/502022356.db2.gz UWNQRBIHSNGEHP-QIJUGHKUSA-N 2 1 365.521 3.284 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000486067573 502036184 /nfs/dbraw/zinc/03/61/84/502036184.db2.gz YKYSATRFMQEHQL-LJQANCHMSA-N 2 1 354.498 3.131 20 0 FGADMP CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475100682 502059038 /nfs/dbraw/zinc/05/90/38/502059038.db2.gz KACXEBGRGSCLHO-WOJBJXKFSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129613 502070653 /nfs/dbraw/zinc/07/06/53/502070653.db2.gz KHKDEOIMWJBTJH-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475129613 502070655 /nfs/dbraw/zinc/07/06/55/502070655.db2.gz KHKDEOIMWJBTJH-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475129613 502070661 /nfs/dbraw/zinc/07/06/61/502070661.db2.gz KHKDEOIMWJBTJH-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000482453233 502072360 /nfs/dbraw/zinc/07/23/60/502072360.db2.gz MUXYJWZQEWHBSF-INIZCTEOSA-N 2 1 358.313 3.198 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000464769733 502087592 /nfs/dbraw/zinc/08/75/92/502087592.db2.gz AAIBNIVEWALCPN-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000464769733 502087600 /nfs/dbraw/zinc/08/76/00/502087600.db2.gz AAIBNIVEWALCPN-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468525292 502092067 /nfs/dbraw/zinc/09/20/67/502092067.db2.gz VDBDZNWYGAEITN-LVCYWYKZSA-N 2 1 357.542 3.058 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525292 502092075 /nfs/dbraw/zinc/09/20/75/502092075.db2.gz VDBDZNWYGAEITN-LVCYWYKZSA-N 2 1 357.542 3.058 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525292 502092082 /nfs/dbraw/zinc/09/20/82/502092082.db2.gz VDBDZNWYGAEITN-LVCYWYKZSA-N 2 1 357.542 3.058 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000475189345 502094694 /nfs/dbraw/zinc/09/46/94/502094694.db2.gz AFSCDCVOWOHZIE-KZNAEPCWSA-N 2 1 364.530 3.286 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000475189345 502094701 /nfs/dbraw/zinc/09/47/01/502094701.db2.gz AFSCDCVOWOHZIE-KZNAEPCWSA-N 2 1 364.530 3.286 20 0 FGADMP COc1ccc2oc([C@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)c(C)c2c1 ZINC000482569481 502113820 /nfs/dbraw/zinc/11/38/20/502113820.db2.gz VUNZGAPMYZBXMR-KRWDZBQOSA-N 2 1 359.514 3.428 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000461469555 502126952 /nfs/dbraw/zinc/12/69/52/502126952.db2.gz LSHQWYRJVPTSNF-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000461469555 502126954 /nfs/dbraw/zinc/12/69/54/502126954.db2.gz LSHQWYRJVPTSNF-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000461469555 502126957 /nfs/dbraw/zinc/12/69/57/502126957.db2.gz LSHQWYRJVPTSNF-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000486481609 502165910 /nfs/dbraw/zinc/16/59/10/502165910.db2.gz JLSKCJNILAMVLY-FQEVSTJZSA-N 2 1 351.494 3.143 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000482738799 502166456 /nfs/dbraw/zinc/16/64/56/502166456.db2.gz GUCRGDQTJCIWLG-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000461729932 502182413 /nfs/dbraw/zinc/18/24/13/502182413.db2.gz QKIYNSQDTQDIJH-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000472071347 502219657 /nfs/dbraw/zinc/21/96/57/502219657.db2.gz BXBULCYELZYDGR-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940250 502222363 /nfs/dbraw/zinc/22/23/63/502222363.db2.gz DEGWXYSLIHYZPT-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000486682306 502229844 /nfs/dbraw/zinc/22/98/44/502229844.db2.gz GFNJGQQDMHTNFC-OAQYLSRUSA-N 2 1 353.441 3.034 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000486682306 502229846 /nfs/dbraw/zinc/22/98/46/502229846.db2.gz GFNJGQQDMHTNFC-OAQYLSRUSA-N 2 1 353.441 3.034 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472114646 502237610 /nfs/dbraw/zinc/23/76/10/502237610.db2.gz GOSAIUIBAIPQJE-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727570 502267809 /nfs/dbraw/zinc/26/78/09/502267809.db2.gz FKYHVRFWHBNEAI-OFNKIYASSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727570 502267813 /nfs/dbraw/zinc/26/78/13/502267813.db2.gz FKYHVRFWHBNEAI-OFNKIYASSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727570 502267820 /nfs/dbraw/zinc/26/78/20/502267820.db2.gz FKYHVRFWHBNEAI-OFNKIYASSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462004226 502270667 /nfs/dbraw/zinc/27/06/67/502270667.db2.gz QBAVOTFOAOOQEH-IPMKNSEASA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462004226 502270673 /nfs/dbraw/zinc/27/06/73/502270673.db2.gz QBAVOTFOAOOQEH-IPMKNSEASA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462004226 502270678 /nfs/dbraw/zinc/27/06/78/502270678.db2.gz QBAVOTFOAOOQEH-IPMKNSEASA-N 2 1 352.567 3.011 20 0 FGADMP COC(=O)c1coc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000602800495 506303530 /nfs/dbraw/zinc/30/35/30/506303530.db2.gz WXSAVWWTHLDRMJ-OAHLLOKOSA-N 2 1 372.469 3.156 20 0 FGADMP COC(=O)c1coc([C@@H](C)[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000602800495 506303537 /nfs/dbraw/zinc/30/35/37/506303537.db2.gz WXSAVWWTHLDRMJ-OAHLLOKOSA-N 2 1 372.469 3.156 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](c1ccccc1)C1CC1 ZINC000465491157 502277280 /nfs/dbraw/zinc/27/72/80/502277280.db2.gz OMMWYERZOBPELU-RTWAWAEBSA-N 2 1 372.557 3.195 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000462042376 502284242 /nfs/dbraw/zinc/28/42/42/502284242.db2.gz VCGOGJGDPALXSU-INIZCTEOSA-N 2 1 352.320 3.102 20 0 FGADMP CC(C)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530141 502291172 /nfs/dbraw/zinc/29/11/72/502291172.db2.gz NBOOMRGRESOYFQ-WOJBJXKFSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000472270965 502293773 /nfs/dbraw/zinc/29/37/73/502293773.db2.gz AHLCSSMQOHCFFD-MRXNPFEDSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(Cl)c2C)C1 ZINC000472270965 502293782 /nfs/dbraw/zinc/29/37/82/502293782.db2.gz AHLCSSMQOHCFFD-MRXNPFEDSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000472294474 502302630 /nfs/dbraw/zinc/30/26/30/502302630.db2.gz PBHSNULNOUMHQC-QGZVFWFLSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000472294474 502302635 /nfs/dbraw/zinc/30/26/35/502302635.db2.gz PBHSNULNOUMHQC-QGZVFWFLSA-N 2 1 367.921 3.020 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000465554250 502305065 /nfs/dbraw/zinc/30/50/65/502305065.db2.gz GIKPCPONOGSJCC-LQWHRVPQSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000465554250 502305068 /nfs/dbraw/zinc/30/50/68/502305068.db2.gz GIKPCPONOGSJCC-LQWHRVPQSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000465554250 502305074 /nfs/dbraw/zinc/30/50/74/502305074.db2.gz GIKPCPONOGSJCC-LQWHRVPQSA-N 2 1 372.557 3.200 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C ZINC000465581310 502315446 /nfs/dbraw/zinc/31/54/46/502315446.db2.gz YFZFBTOHVJIPRC-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000465581310 502315449 /nfs/dbraw/zinc/31/54/49/502315449.db2.gz YFZFBTOHVJIPRC-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000465581310 502315455 /nfs/dbraw/zinc/31/54/55/502315455.db2.gz YFZFBTOHVJIPRC-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605633 502323612 /nfs/dbraw/zinc/32/36/12/502323612.db2.gz SMPHTLHNOCADEN-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605633 502323619 /nfs/dbraw/zinc/32/36/19/502323619.db2.gz SMPHTLHNOCADEN-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605633 502323626 /nfs/dbraw/zinc/32/36/26/502323626.db2.gz SMPHTLHNOCADEN-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363872 502330091 /nfs/dbraw/zinc/33/00/91/502330091.db2.gz ABDZKJPPMMSGIK-FXAWDEMLSA-N 2 1 356.466 3.238 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376858 502334762 /nfs/dbraw/zinc/33/47/62/502334762.db2.gz ZINOPDNGIJZRQN-PZJWPPBQSA-N 2 1 363.509 3.438 20 0 FGADMP O=C(C[N@@H+](CC1CC1)C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483294403 502341764 /nfs/dbraw/zinc/34/17/64/502341764.db2.gz NGJAKLZJOPEMEI-UHFFFAOYSA-N 2 1 355.526 3.163 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721454 502359735 /nfs/dbraw/zinc/35/97/35/502359735.db2.gz KGYFMGUKBQXRQJ-HMXCVIKNSA-N 2 1 372.557 3.242 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427054 502412515 /nfs/dbraw/zinc/41/25/15/502412515.db2.gz XKSHAYDOQGFURA-NHCUHLMSSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427054 502412518 /nfs/dbraw/zinc/41/25/18/502412518.db2.gz XKSHAYDOQGFURA-NHCUHLMSSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427054 502412520 /nfs/dbraw/zinc/41/25/20/502412520.db2.gz XKSHAYDOQGFURA-NHCUHLMSSA-N 2 1 374.573 3.174 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cc(C)cc(C)c1 ZINC000465903801 502422343 /nfs/dbraw/zinc/42/23/43/502422343.db2.gz DUQJXICTHXBUGQ-FPOVZHCZSA-N 2 1 374.573 3.422 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@H]1C ZINC000483682976 502461919 /nfs/dbraw/zinc/46/19/19/502461919.db2.gz LFSZDWIXBLMFQO-QRVBRYPASA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000483682976 502461922 /nfs/dbraw/zinc/46/19/22/502461922.db2.gz LFSZDWIXBLMFQO-QRVBRYPASA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[C@H]1C ZINC000483682976 502461925 /nfs/dbraw/zinc/46/19/25/502461925.db2.gz LFSZDWIXBLMFQO-QRVBRYPASA-N 2 1 352.567 3.155 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000472902494 502468855 /nfs/dbraw/zinc/46/88/55/502468855.db2.gz IIDRJQSOKWQSFF-UHFFFAOYSA-N 2 1 360.546 3.204 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H](C)C1 ZINC000462532468 502477486 /nfs/dbraw/zinc/47/74/86/502477486.db2.gz DYKTVLIPDJBPDP-MLGOLLRUSA-N 2 1 353.304 3.204 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H](C)C1 ZINC000462532468 502477491 /nfs/dbraw/zinc/47/74/91/502477491.db2.gz DYKTVLIPDJBPDP-MLGOLLRUSA-N 2 1 353.304 3.204 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472970077 502487767 /nfs/dbraw/zinc/48/77/67/502487767.db2.gz KLAADWGEBINFCM-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472990667 502492802 /nfs/dbraw/zinc/49/28/02/502492802.db2.gz MPJAYWMGTNLUIY-NRFANRHFSA-N 2 1 357.542 3.233 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1cccc(F)c1 ZINC000487747148 502520681 /nfs/dbraw/zinc/52/06/81/502520681.db2.gz FRCFCQJEBRCCEL-AQDCRGGLSA-N 2 1 361.505 3.104 20 0 FGADMP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476546393 502520690 /nfs/dbraw/zinc/52/06/90/502520690.db2.gz VMONMODLMJWLJA-IBGZPJMESA-N 2 1 362.562 3.053 20 0 FGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466300249 502530772 /nfs/dbraw/zinc/53/07/72/502530772.db2.gz UPRDXYVXGXABBR-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000469764044 502535777 /nfs/dbraw/zinc/53/57/77/502535777.db2.gz MTKZMIYOGSBWBK-OALUTQOASA-N 2 1 360.542 3.339 20 0 FGADMP CC(C)[C@]1(C)C[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476652604 502550830 /nfs/dbraw/zinc/55/08/30/502550830.db2.gz BUJOQIWPBARURF-IRLDBZIGSA-N 2 1 363.590 3.323 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000473276113 502556561 /nfs/dbraw/zinc/55/65/61/502556561.db2.gz BFIRXNTXCCJXCS-NGRWLJPCSA-N 2 1 371.569 3.380 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476735729 502575920 /nfs/dbraw/zinc/57/59/20/502575920.db2.gz IZMLOUDODLGIJZ-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132549 502578521 /nfs/dbraw/zinc/57/85/21/502578521.db2.gz OVOVURJDYQMJCX-HBOHALFCSA-N 2 1 354.538 3.284 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132549 502578528 /nfs/dbraw/zinc/57/85/28/502578528.db2.gz OVOVURJDYQMJCX-HBOHALFCSA-N 2 1 354.538 3.284 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3C[N@@H+](C)C[C@H]3C)n2)cc1 ZINC000462822927 502587980 /nfs/dbraw/zinc/58/79/80/502587980.db2.gz XXMPVCPMUJVMNR-QAPCUYQASA-N 2 1 358.486 3.122 20 0 FGADMP O[C@]1(CN[C@@H]2CCCOc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484161111 502588977 /nfs/dbraw/zinc/58/89/77/502588977.db2.gz MOWJMUNTJYNWPC-IRLDBZIGSA-N 2 1 370.468 3.266 20 0 FGADMP Cc1ncc(CNc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)n1-c1ccccc1 ZINC000462879166 502610607 /nfs/dbraw/zinc/61/06/07/502610607.db2.gz WHYMGCBXPJCRSZ-JOCHJYFZSA-N 2 1 362.477 3.359 20 0 FGADMP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480609091 502619459 /nfs/dbraw/zinc/61/94/59/502619459.db2.gz CZJDLPUREKCDME-JOCHJYFZSA-N 2 1 363.505 3.160 20 0 FGADMP CCC[N@H+](Cc1cnc2c(C)cc(Br)cn12)C1CC[NH2+]CC1 ZINC000469995253 502622399 /nfs/dbraw/zinc/62/23/99/502622399.db2.gz XZTOGQLHJLLRFT-UHFFFAOYSA-N 2 1 365.319 3.369 20 0 FGADMP CCC[N@@H+](Cc1cnc2c(C)cc(Br)cn12)C1CC[NH2+]CC1 ZINC000469995253 502622403 /nfs/dbraw/zinc/62/24/03/502622403.db2.gz XZTOGQLHJLLRFT-UHFFFAOYSA-N 2 1 365.319 3.369 20 0 FGADMP CCC[N@@H+](Cc1cc(Br)c2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000470002922 502626717 /nfs/dbraw/zinc/62/67/17/502626717.db2.gz IMMMPIPBHMPINW-UHFFFAOYSA-N 2 1 369.303 3.184 20 0 FGADMP COC1(C[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CCCCC1 ZINC000480645644 502631815 /nfs/dbraw/zinc/63/18/15/502631815.db2.gz SBWHIPFTLZGPHL-NRFANRHFSA-N 2 1 359.558 3.304 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C[NH+]1CCCCC1 ZINC000484374614 502634251 /nfs/dbraw/zinc/63/42/51/502634251.db2.gz REWGAKFWLLUJOT-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000480802406 502675120 /nfs/dbraw/zinc/67/51/20/502675120.db2.gz JALXNBKARLUSJU-UGKGYDQZSA-N 2 1 370.541 3.158 20 0 FGADMP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000480799556 502675594 /nfs/dbraw/zinc/67/55/94/502675594.db2.gz QLIZZPTYNNCVKL-NRFANRHFSA-N 2 1 369.553 3.028 20 0 FGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000480799556 502675600 /nfs/dbraw/zinc/67/56/00/502675600.db2.gz QLIZZPTYNNCVKL-NRFANRHFSA-N 2 1 369.553 3.028 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613977 502682760 /nfs/dbraw/zinc/68/27/60/502682760.db2.gz CEMQYOAQUMDBAQ-XLAORIBOSA-N 2 1 364.534 3.128 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613974 502682892 /nfs/dbraw/zinc/68/28/92/502682892.db2.gz CEMQYOAQUMDBAQ-VSZNYVQBSA-N 2 1 364.534 3.128 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000582620052 506328683 /nfs/dbraw/zinc/32/86/83/506328683.db2.gz YZGINQQOHMKFEV-KRWDZBQOSA-N 2 1 358.530 3.396 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920728 502705233 /nfs/dbraw/zinc/70/52/33/502705233.db2.gz KHXCHEYTWZDMRQ-SFTDATJTSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000480920728 502705235 /nfs/dbraw/zinc/70/52/35/502705235.db2.gz KHXCHEYTWZDMRQ-SFTDATJTSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000480920728 502705238 /nfs/dbraw/zinc/70/52/38/502705238.db2.gz KHXCHEYTWZDMRQ-SFTDATJTSA-N 2 1 357.542 3.204 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CS1 ZINC000488408807 502706607 /nfs/dbraw/zinc/70/66/07/502706607.db2.gz ICQYENLIFLFXMP-HAGHYFMRSA-N 2 1 362.583 3.379 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CS1 ZINC000488408807 502706615 /nfs/dbraw/zinc/70/66/15/502706615.db2.gz ICQYENLIFLFXMP-HAGHYFMRSA-N 2 1 362.583 3.379 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247000 502735039 /nfs/dbraw/zinc/73/50/39/502735039.db2.gz LURODVKIDVLWOE-PSWRPDDJSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463247000 502735045 /nfs/dbraw/zinc/73/50/45/502735045.db2.gz LURODVKIDVLWOE-PSWRPDDJSA-N 2 1 369.553 3.420 20 0 FGADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484788097 502740183 /nfs/dbraw/zinc/74/01/83/502740183.db2.gz ICTIZTVCPYYQPN-CBPXPLCBSA-N 2 1 358.526 3.217 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Oc1ccccc1Cl ZINC000484791128 502740970 /nfs/dbraw/zinc/74/09/70/502740970.db2.gz NMKDZLUYAXSADX-CYGHRXIMSA-N 2 1 352.906 3.244 20 0 FGADMP C[C@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000477356560 502751857 /nfs/dbraw/zinc/75/18/57/502751857.db2.gz BQSBGLJDNSJDAX-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000484842851 502752274 /nfs/dbraw/zinc/75/22/74/502752274.db2.gz AJLBXDZOJXOWNI-IPMKNSEASA-N 2 1 362.514 3.121 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000463331668 502760875 /nfs/dbraw/zinc/76/08/75/502760875.db2.gz ZUILGXTZBQIZER-ZNMIVQPWSA-N 2 1 367.921 3.480 20 0 FGADMP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473957593 502761987 /nfs/dbraw/zinc/76/19/87/502761987.db2.gz HOHHGFXCXFXHQB-WAOWUJCRSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957593 502761992 /nfs/dbraw/zinc/76/19/92/502761992.db2.gz HOHHGFXCXFXHQB-WAOWUJCRSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957593 502761996 /nfs/dbraw/zinc/76/19/96/502761996.db2.gz HOHHGFXCXFXHQB-WAOWUJCRSA-N 2 1 372.557 3.336 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473959355 502763166 /nfs/dbraw/zinc/76/31/66/502763166.db2.gz XOYGZWXXXIRTAH-OALUTQOASA-N 2 1 374.573 3.174 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481168961 502771946 /nfs/dbraw/zinc/77/19/46/502771946.db2.gz FGMXDTPVCKCOFU-DENIHFKCSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481168961 502771950 /nfs/dbraw/zinc/77/19/50/502771950.db2.gz FGMXDTPVCKCOFU-DENIHFKCSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000481169747 502772055 /nfs/dbraw/zinc/77/20/55/502772055.db2.gz FOADEBGHVLUSRG-AJSBUHFISA-N 2 1 368.521 3.064 20 0 FGADMP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974573 502791259 /nfs/dbraw/zinc/79/12/59/502791259.db2.gz SNJIQAINPFGLSB-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974573 502791265 /nfs/dbraw/zinc/79/12/65/502791265.db2.gz SNJIQAINPFGLSB-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974573 502791269 /nfs/dbraw/zinc/79/12/69/502791269.db2.gz SNJIQAINPFGLSB-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C([NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000474078141 502801015 /nfs/dbraw/zinc/80/10/15/502801015.db2.gz FXWKKBUVWHGNLB-SLFFLAALSA-N 2 1 350.547 3.206 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000474081844 502802627 /nfs/dbraw/zinc/80/26/27/502802627.db2.gz OAOXBFWARLVRMJ-WZYRSQIMSA-N 2 1 372.553 3.328 20 0 FGADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058967 502871013 /nfs/dbraw/zinc/87/10/13/502871013.db2.gz GQEMEGMTDHIZHA-PZJWPPBQSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000489058967 502871015 /nfs/dbraw/zinc/87/10/15/502871015.db2.gz GQEMEGMTDHIZHA-PZJWPPBQSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000489058967 502871018 /nfs/dbraw/zinc/87/10/18/502871018.db2.gz GQEMEGMTDHIZHA-PZJWPPBQSA-N 2 1 355.526 3.370 20 0 FGADMP Cc1nc2ccccc2n1CC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000513383292 502920286 /nfs/dbraw/zinc/92/02/86/502920286.db2.gz PCANVAMAUSTZTE-VQIMIIECSA-N 2 1 362.477 3.296 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000501049074 502922182 /nfs/dbraw/zinc/92/21/82/502922182.db2.gz SNYHABJVRWEEKG-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000501049074 502922186 /nfs/dbraw/zinc/92/21/86/502922186.db2.gz SNYHABJVRWEEKG-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000501049074 502922189 /nfs/dbraw/zinc/92/21/89/502922189.db2.gz SNYHABJVRWEEKG-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066125 502926404 /nfs/dbraw/zinc/92/64/04/502926404.db2.gz CTPIUSXMLAMSBN-ICSRJNTNSA-N 2 1 372.557 3.409 20 0 FGADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075218 502929458 /nfs/dbraw/zinc/92/94/58/502929458.db2.gz DPTBTYVHBUTKSS-SFHVURJKSA-N 2 1 372.557 3.409 20 0 FGADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501075216 502929963 /nfs/dbraw/zinc/92/99/63/502929963.db2.gz DPTBTYVHBUTKSS-GOSISDBHSA-N 2 1 372.557 3.409 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000501161800 502951784 /nfs/dbraw/zinc/95/17/84/502951784.db2.gz GNSYWPOGJTXGSL-WMZOPIPTSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500019 502954303 /nfs/dbraw/zinc/95/43/03/502954303.db2.gz KKIBCKSVZKVCOA-WBVHZDCISA-N 2 1 357.523 3.237 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508353 502955435 /nfs/dbraw/zinc/95/54/35/502955435.db2.gz YAJLGJFDCUNKEV-SJLPKXTDSA-N 2 1 355.482 3.192 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000513544626 502963032 /nfs/dbraw/zinc/96/30/32/502963032.db2.gz KNMGKBPJEDGSEU-PXNSSMCTSA-N 2 1 351.494 3.176 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683320 502966325 /nfs/dbraw/zinc/96/63/25/502966325.db2.gz ZMNWVOYZMJHSJM-KRWDZBQOSA-N 2 1 351.922 3.137 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571724 502968660 /nfs/dbraw/zinc/96/86/60/502968660.db2.gz GPZYYZKFYJMSLF-LEWJYISDSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710548 502973620 /nfs/dbraw/zinc/97/36/20/502973620.db2.gz FINFHZIXKMGYJR-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000509710548 502973625 /nfs/dbraw/zinc/97/36/25/502973625.db2.gz FINFHZIXKMGYJR-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000509710548 502973628 /nfs/dbraw/zinc/97/36/28/502973628.db2.gz FINFHZIXKMGYJR-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489516731 502976230 /nfs/dbraw/zinc/97/62/30/502976230.db2.gz TZAYOUXNGGUKQX-TZIWHRDSSA-N 2 1 374.573 3.126 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805160 502988975 /nfs/dbraw/zinc/98/89/75/502988975.db2.gz NISHQWZWEJNGEW-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509805160 502988978 /nfs/dbraw/zinc/98/89/78/502988978.db2.gz NISHQWZWEJNGEW-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509805160 502988982 /nfs/dbraw/zinc/98/89/82/502988982.db2.gz NISHQWZWEJNGEW-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655144 502991864 /nfs/dbraw/zinc/99/18/64/502991864.db2.gz LKWUJWDCUDYCKY-SLFFLAALSA-N 2 1 368.525 3.455 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000489684231 503010702 /nfs/dbraw/zinc/01/07/02/503010702.db2.gz MCWGESPGGYWMOG-GJZGRUSLSA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000489684231 503010707 /nfs/dbraw/zinc/01/07/07/503010707.db2.gz MCWGESPGGYWMOG-GJZGRUSLSA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000489684231 503010712 /nfs/dbraw/zinc/01/07/12/503010712.db2.gz MCWGESPGGYWMOG-GJZGRUSLSA-N 2 1 358.452 3.493 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[NH+]2CCCC2)cc1 ZINC000513760206 503018050 /nfs/dbraw/zinc/01/80/50/503018050.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760206 503018052 /nfs/dbraw/zinc/01/80/52/503018052.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760206 503018054 /nfs/dbraw/zinc/01/80/54/503018054.db2.gz ILWAKTFCJHZHDB-YSFYHYPLSA-N 2 1 357.542 3.295 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000501497231 503021335 /nfs/dbraw/zinc/02/13/35/503021335.db2.gz WUGFHYUZWNJVKN-UXHICEINSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000501497231 503021337 /nfs/dbraw/zinc/02/13/37/503021337.db2.gz WUGFHYUZWNJVKN-UXHICEINSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489778133 503032206 /nfs/dbraw/zinc/03/22/06/503032206.db2.gz QPCCDVFYHVCQHE-AWEZNQCLSA-N 2 1 355.408 3.214 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489778133 503032211 /nfs/dbraw/zinc/03/22/11/503032211.db2.gz QPCCDVFYHVCQHE-AWEZNQCLSA-N 2 1 355.408 3.214 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H](c2ccccc2)C1)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000497767093 503036474 /nfs/dbraw/zinc/03/64/74/503036474.db2.gz IGZKTWURAJRCKY-NUNAXRQHSA-N 2 1 350.506 3.326 20 0 FGADMP O[C@@H](C[NH+]1CC[C@H](c2ccccc2)C1)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000497767093 503036481 /nfs/dbraw/zinc/03/64/81/503036481.db2.gz IGZKTWURAJRCKY-NUNAXRQHSA-N 2 1 350.506 3.326 20 0 FGADMP O[C@@H](C[NH+]1CC[C@H](c2ccccc2)C1)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000497767093 503036489 /nfs/dbraw/zinc/03/64/89/503036489.db2.gz IGZKTWURAJRCKY-NUNAXRQHSA-N 2 1 350.506 3.326 20 0 FGADMP CC(C)CCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000506056186 503037651 /nfs/dbraw/zinc/03/76/51/503037651.db2.gz SGMPYAWRYDQAIG-UHFFFAOYSA-N 2 1 359.558 3.325 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000501713886 503065755 /nfs/dbraw/zinc/06/57/55/503065755.db2.gz DSKBZMSJBNTNDD-IXDOHACOSA-N 2 1 366.575 3.018 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000497965938 503075879 /nfs/dbraw/zinc/07/58/79/503075879.db2.gz WHNHRTVTZRHJKH-RVDAZCDBSA-N 2 1 357.542 3.275 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965938 503075881 /nfs/dbraw/zinc/07/58/81/503075881.db2.gz WHNHRTVTZRHJKH-RVDAZCDBSA-N 2 1 357.542 3.275 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965938 503075885 /nfs/dbraw/zinc/07/58/85/503075885.db2.gz WHNHRTVTZRHJKH-RVDAZCDBSA-N 2 1 357.542 3.275 20 0 FGADMP CCN(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979043 503080797 /nfs/dbraw/zinc/08/07/97/503080797.db2.gz GPSGTEMBCCDBBM-AVRDEDQJSA-N 2 1 365.521 3.242 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514122756 503093498 /nfs/dbraw/zinc/09/34/98/503093498.db2.gz NRJWLGBBIKMABX-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000514122756 503093501 /nfs/dbraw/zinc/09/35/01/503093501.db2.gz NRJWLGBBIKMABX-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000514122756 503093504 /nfs/dbraw/zinc/09/35/04/503093504.db2.gz NRJWLGBBIKMABX-YSTOQKLRSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000514122698 503093830 /nfs/dbraw/zinc/09/38/30/503093830.db2.gz NANVGXGAGAEWGS-MOPGFXCFSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C1 ZINC000514122698 503093832 /nfs/dbraw/zinc/09/38/32/503093832.db2.gz NANVGXGAGAEWGS-MOPGFXCFSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C1 ZINC000514122698 503093833 /nfs/dbraw/zinc/09/38/33/503093833.db2.gz NANVGXGAGAEWGS-MOPGFXCFSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000514154721 503101746 /nfs/dbraw/zinc/10/17/46/503101746.db2.gz XIIQISIYCADUJT-SFHVURJKSA-N 2 1 371.447 3.156 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498128755 503112672 /nfs/dbraw/zinc/11/26/72/503112672.db2.gz WHTPSLAJZYVFQB-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@H]1C ZINC000498231650 503137829 /nfs/dbraw/zinc/13/78/29/503137829.db2.gz NWUXKKUAFJSMJJ-MSOLQXFVSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C[C@H]1C ZINC000498231650 503137832 /nfs/dbraw/zinc/13/78/32/503137832.db2.gz NWUXKKUAFJSMJJ-MSOLQXFVSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C[C@H]1C ZINC000498231650 503137836 /nfs/dbraw/zinc/13/78/36/503137836.db2.gz NWUXKKUAFJSMJJ-MSOLQXFVSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000510542726 503138751 /nfs/dbraw/zinc/13/87/51/503138751.db2.gz BOQJHFOLICKPHS-PXNSSMCTSA-N 2 1 358.530 3.019 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542873 503139213 /nfs/dbraw/zinc/13/92/13/503139213.db2.gz CRTAIOAJLMXNFQ-NYVOZVTQSA-N 2 1 365.521 3.377 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542873 503139217 /nfs/dbraw/zinc/13/92/17/503139217.db2.gz CRTAIOAJLMXNFQ-NYVOZVTQSA-N 2 1 365.521 3.377 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000490853746 503236424 /nfs/dbraw/zinc/23/64/24/503236424.db2.gz LURJJFLJXAQYFC-HXUWFJFHSA-N 2 1 371.550 3.379 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000507138211 503237912 /nfs/dbraw/zinc/23/79/12/503237912.db2.gz IMLNZKRYEANISL-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000507138211 503237915 /nfs/dbraw/zinc/23/79/15/503237915.db2.gz IMLNZKRYEANISL-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000507138211 503237916 /nfs/dbraw/zinc/23/79/16/503237916.db2.gz IMLNZKRYEANISL-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)[C@@H]2C1 ZINC000515089192 503269053 /nfs/dbraw/zinc/26/90/53/503269053.db2.gz HKHBPJSFCWJXMA-GIFBIUIXSA-N 2 1 369.553 3.276 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)[C@@H]2C1 ZINC000515089192 503269055 /nfs/dbraw/zinc/26/90/55/503269055.db2.gz HKHBPJSFCWJXMA-GIFBIUIXSA-N 2 1 369.553 3.276 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851937 503276520 /nfs/dbraw/zinc/27/65/20/503276520.db2.gz FKZLSUIEFPLYQT-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851937 503276525 /nfs/dbraw/zinc/27/65/25/503276525.db2.gz FKZLSUIEFPLYQT-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)CC[C@H]3C)c2c1C ZINC000498912176 503290790 /nfs/dbraw/zinc/29/07/90/503290790.db2.gz RSTBSSRPNVGVHD-CQSZACIVSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)CC[C@H]3C)c2c1C ZINC000498912176 503290793 /nfs/dbraw/zinc/29/07/93/503290793.db2.gz RSTBSSRPNVGVHD-CQSZACIVSA-N 2 1 373.570 3.434 20 0 FGADMP CC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C1(C(=O)OC)CCC1 ZINC000498923615 503295170 /nfs/dbraw/zinc/29/51/70/503295170.db2.gz KKLGXMUEHNUCOB-GOSISDBHSA-N 2 1 366.546 3.122 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000507415086 503296164 /nfs/dbraw/zinc/29/61/64/503296164.db2.gz SMSPNYCBJGGRBG-ROUUACIJSA-N 2 1 360.546 3.147 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000502941981 503312019 /nfs/dbraw/zinc/31/20/19/503312019.db2.gz SLOSNYVGASIVLN-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000502941981 503312022 /nfs/dbraw/zinc/31/20/22/503312022.db2.gz SLOSNYVGASIVLN-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000502941981 503312023 /nfs/dbraw/zinc/31/20/23/503312023.db2.gz SLOSNYVGASIVLN-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)CC1 ZINC000515386550 503328701 /nfs/dbraw/zinc/32/87/01/503328701.db2.gz PVXRJXRUYCVFLU-LEWJYISDSA-N 2 1 361.574 3.221 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3CCCC[C@H]3C3CC3)CC2)CC1 ZINC000515386550 503328706 /nfs/dbraw/zinc/32/87/06/503328706.db2.gz PVXRJXRUYCVFLU-LEWJYISDSA-N 2 1 361.574 3.221 20 0 FGADMP CC(C)[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664326 503342714 /nfs/dbraw/zinc/34/27/14/503342714.db2.gz LZVDRLUYMWHDTP-IBGZPJMESA-N 2 1 361.555 3.294 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2Cc2ccccc2)CC1 ZINC000511631649 503358656 /nfs/dbraw/zinc/35/86/56/503358656.db2.gz VOFGEZSRHQGDGA-NRFANRHFSA-N 2 1 357.542 3.073 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000503199727 503364701 /nfs/dbraw/zinc/36/47/01/503364701.db2.gz SPUTYCYZNCOEQU-IEBWSBKVSA-N 2 1 352.544 3.080 20 0 FGADMP c1nc([C@@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)n2c1CCCC2 ZINC000503374696 503396991 /nfs/dbraw/zinc/39/69/91/503396991.db2.gz GXBYTGKJBJZZHO-LJQANCHMSA-N 2 1 369.509 3.494 20 0 FGADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000507943564 503400778 /nfs/dbraw/zinc/40/07/78/503400778.db2.gz DYEPJPRNRCYEAU-FGTMMUONSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000507943564 503400783 /nfs/dbraw/zinc/40/07/83/503400783.db2.gz DYEPJPRNRCYEAU-FGTMMUONSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000507943564 503400786 /nfs/dbraw/zinc/40/07/86/503400786.db2.gz DYEPJPRNRCYEAU-FGTMMUONSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000507943564 503400790 /nfs/dbraw/zinc/40/07/90/503400790.db2.gz DYEPJPRNRCYEAU-FGTMMUONSA-N 2 1 361.505 3.121 20 0 FGADMP CN(CCN1CCN(Cc2ccccc2)CC1)Cc1csc(C2CC2)n1 ZINC000511855416 503401004 /nfs/dbraw/zinc/40/10/04/503401004.db2.gz OEZCOSFYUKUHMR-UHFFFAOYSA-N 2 1 370.566 3.270 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000507948905 503402247 /nfs/dbraw/zinc/40/22/47/503402247.db2.gz DYDRIHFUHCTMDD-LVCYWYKZSA-N 2 1 357.542 3.300 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCC(=O)Nc2ccc(Cl)cc2)s1 ZINC000512086169 503454298 /nfs/dbraw/zinc/45/42/98/503454298.db2.gz BMKAIECPFQBNBT-UHFFFAOYSA-N 2 1 366.918 3.367 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000493953049 503465328 /nfs/dbraw/zinc/46/53/28/503465328.db2.gz QHKIWJYTNZLJPT-NRFANRHFSA-N 2 1 352.478 3.002 20 0 FGADMP c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CO2 ZINC000493962111 503467408 /nfs/dbraw/zinc/46/74/08/503467408.db2.gz SUWLGVWLICTMJO-OAQYLSRUSA-N 2 1 352.478 3.002 20 0 FGADMP CCC(CC)(CNC(=O)N1CCC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000503795765 503472647 /nfs/dbraw/zinc/47/26/47/503472647.db2.gz SRASMCPQXONUSH-GOSISDBHSA-N 2 1 360.546 3.243 20 0 FGADMP Cn1cnnc1C[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000516254638 503483045 /nfs/dbraw/zinc/48/30/45/503483045.db2.gz XNTQFRPHTWZHGT-NRFANRHFSA-N 2 1 367.541 3.472 20 0 FGADMP CC(C)[C@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515468 503525402 /nfs/dbraw/zinc/52/54/02/503525402.db2.gz SYMCWQICEFYXIE-MSOLQXFVSA-N 2 1 369.347 3.365 20 0 FGADMP CC(C)[C@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515468 503525406 /nfs/dbraw/zinc/52/54/06/503525406.db2.gz SYMCWQICEFYXIE-MSOLQXFVSA-N 2 1 369.347 3.365 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578761 503588221 /nfs/dbraw/zinc/58/82/21/503588221.db2.gz RYUAGXGJRYBKOP-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578761 503588226 /nfs/dbraw/zinc/58/82/26/503588226.db2.gz RYUAGXGJRYBKOP-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578761 503588229 /nfs/dbraw/zinc/58/82/29/503588229.db2.gz RYUAGXGJRYBKOP-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000512818811 503639348 /nfs/dbraw/zinc/63/93/48/503639348.db2.gz YVCGVXIUYUQLFW-UHFFFAOYSA-N 2 1 356.510 3.399 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680156 503676514 /nfs/dbraw/zinc/67/65/14/503676514.db2.gz DVMHTIUAYLMWOL-KRWDZBQOSA-N 2 1 356.470 3.112 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680156 503676518 /nfs/dbraw/zinc/67/65/18/503676518.db2.gz DVMHTIUAYLMWOL-KRWDZBQOSA-N 2 1 356.470 3.112 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680156 503676521 /nfs/dbraw/zinc/67/65/21/503676521.db2.gz DVMHTIUAYLMWOL-KRWDZBQOSA-N 2 1 356.470 3.112 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCO2 ZINC000536680156 503676524 /nfs/dbraw/zinc/67/65/24/503676524.db2.gz DVMHTIUAYLMWOL-KRWDZBQOSA-N 2 1 356.470 3.112 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1 ZINC000527117339 503685678 /nfs/dbraw/zinc/68/56/78/503685678.db2.gz HJRAYDKGIHZDHN-QGZVFWFLSA-N 2 1 358.530 3.094 20 0 FGADMP CCCc1nc2ccccc2n1CCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000536707009 503689395 /nfs/dbraw/zinc/68/93/95/503689395.db2.gz GKTXODXXCMHAEQ-LJQANCHMSA-N 2 1 356.514 3.178 20 0 FGADMP CCCc1nc2ccccc2n1CCC(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000536707009 503689403 /nfs/dbraw/zinc/68/94/03/503689403.db2.gz GKTXODXXCMHAEQ-LJQANCHMSA-N 2 1 356.514 3.178 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154353 503691246 /nfs/dbraw/zinc/69/12/46/503691246.db2.gz RDPLHFSFNXVMQL-SJORKVTESA-N 2 1 365.587 3.291 20 0 FGADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000543283570 503710126 /nfs/dbraw/zinc/71/01/26/503710126.db2.gz IVAUHICMKITDFM-GOSISDBHSA-N 2 1 372.557 3.436 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000517323806 503714992 /nfs/dbraw/zinc/71/49/92/503714992.db2.gz CHHHUWSHGKBIJT-LJQANCHMSA-N 2 1 369.553 3.292 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000517323806 503714995 /nfs/dbraw/zinc/71/49/95/503714995.db2.gz CHHHUWSHGKBIJT-LJQANCHMSA-N 2 1 369.553 3.292 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000517323806 503715000 /nfs/dbraw/zinc/71/50/00/503715000.db2.gz CHHHUWSHGKBIJT-LJQANCHMSA-N 2 1 369.553 3.292 20 0 FGADMP Cc1cccc(C)c1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244050 503722278 /nfs/dbraw/zinc/72/22/78/503722278.db2.gz GTJBDMQXDKIVFQ-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1cccc(C)c1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540244050 503722282 /nfs/dbraw/zinc/72/22/82/503722282.db2.gz GTJBDMQXDKIVFQ-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000517348743 503722509 /nfs/dbraw/zinc/72/25/09/503722509.db2.gz OCLUESPSQJIBER-UHFFFAOYSA-N 2 1 353.510 3.373 20 0 FGADMP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000517382326 503730814 /nfs/dbraw/zinc/73/08/14/503730814.db2.gz WBELLXJNYUNMRG-NRFANRHFSA-N 2 1 366.509 3.002 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000536845940 503738591 /nfs/dbraw/zinc/73/85/91/503738591.db2.gz NGVFMQGZKOSZFR-RXQRSOPUSA-N 2 1 364.534 3.131 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C2 ZINC000527249231 503738805 /nfs/dbraw/zinc/73/88/05/503738805.db2.gz LJVXJTUNCIIRQR-DLBZAZTESA-N 2 1 358.530 3.115 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000517411255 503739019 /nfs/dbraw/zinc/73/90/19/503739019.db2.gz YKKCVFOBPNJZPG-QZTJIDSGSA-N 2 1 352.567 3.203 20 0 FGADMP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000540337724 503741608 /nfs/dbraw/zinc/74/16/08/503741608.db2.gz BXRWMRCAOAKCMD-UHFFFAOYSA-N 2 1 366.571 3.211 20 0 FGADMP Cc1ccc(S(=O)(=O)CCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000540337724 503741609 /nfs/dbraw/zinc/74/16/09/503741609.db2.gz BXRWMRCAOAKCMD-UHFFFAOYSA-N 2 1 366.571 3.211 20 0 FGADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394710 503751430 /nfs/dbraw/zinc/75/14/30/503751430.db2.gz ZGVXNBXORVPWPG-SJLPKXTDSA-N 2 1 369.513 3.093 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000543395289 503752242 /nfs/dbraw/zinc/75/22/42/503752242.db2.gz XUYCXBDCMOWRQY-QGZVFWFLSA-N 2 1 373.464 3.349 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000543432210 503767896 /nfs/dbraw/zinc/76/78/96/503767896.db2.gz HRZWWWNXYQUMLJ-LJQANCHMSA-N 2 1 359.558 3.320 20 0 FGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533278600 503789007 /nfs/dbraw/zinc/78/90/07/503789007.db2.gz NJJRPDWBVDJKDP-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000533278600 503789012 /nfs/dbraw/zinc/78/90/12/503789012.db2.gz NJJRPDWBVDJKDP-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)C1 ZINC000546574451 503793183 /nfs/dbraw/zinc/79/31/83/503793183.db2.gz GYBIDHSGNWASKB-HSZRJFAPSA-N 2 1 352.522 3.277 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)C1 ZINC000546574451 503793190 /nfs/dbraw/zinc/79/31/90/503793190.db2.gz GYBIDHSGNWASKB-HSZRJFAPSA-N 2 1 352.522 3.277 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693357 503808730 /nfs/dbraw/zinc/80/87/30/503808730.db2.gz PNNRHVCIOIFCHN-GCJKJVERSA-N 2 1 369.553 3.025 20 0 FGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546653938 503825176 /nfs/dbraw/zinc/82/51/76/503825176.db2.gz FLVLNTGAUIYJMC-PXNSSMCTSA-N 2 1 373.566 3.353 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)CC2 ZINC000527528360 503826837 /nfs/dbraw/zinc/82/68/37/503826837.db2.gz DBHBUGCZRUJSNE-KRWDZBQOSA-N 2 1 360.546 3.217 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)C2 ZINC000527528360 503826844 /nfs/dbraw/zinc/82/68/44/503826844.db2.gz DBHBUGCZRUJSNE-KRWDZBQOSA-N 2 1 360.546 3.217 20 0 FGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000540597055 503829128 /nfs/dbraw/zinc/82/91/28/503829128.db2.gz GLVJGTIBLNJRFZ-HOTGVXAUSA-N 2 1 359.283 3.086 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000517924982 503868082 /nfs/dbraw/zinc/86/80/82/503868082.db2.gz CPDQGTFSJWLAAZ-IRIHCNEDSA-N 2 1 358.526 3.048 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000546768051 503872751 /nfs/dbraw/zinc/87/27/51/503872751.db2.gz LPGZUAVNFQPMPC-FQEVSTJZSA-N 2 1 357.542 3.137 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000517962116 503876455 /nfs/dbraw/zinc/87/64/55/503876455.db2.gz ZFZHXWGOBDFTPS-LPHOPBHVSA-N 2 1 363.933 3.277 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3c(F)ccc(F)c3Cl)CC2)CC1 ZINC000527651311 503876485 /nfs/dbraw/zinc/87/64/85/503876485.db2.gz VOQZKYYHJMJQRU-UHFFFAOYSA-N 2 1 357.876 3.266 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216897 503880774 /nfs/dbraw/zinc/88/07/74/503880774.db2.gz DGVGHUYETHSAGD-DOMZBBRYSA-N 2 1 366.303 3.040 20 0 FGADMP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547989 503884725 /nfs/dbraw/zinc/88/47/25/503884725.db2.gz OBNFYPOTZFYCKA-MSOLQXFVSA-N 2 1 371.525 3.304 20 0 FGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547989 503884730 /nfs/dbraw/zinc/88/47/30/503884730.db2.gz OBNFYPOTZFYCKA-MSOLQXFVSA-N 2 1 371.525 3.304 20 0 FGADMP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1 ZINC000530242514 503890925 /nfs/dbraw/zinc/89/09/25/503890925.db2.gz UHTOQUOMMWBGHQ-MRXNPFEDSA-N 2 1 371.294 3.179 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000518052040 503898597 /nfs/dbraw/zinc/89/85/97/503898597.db2.gz YYEMIWFKTOGODF-LJQANCHMSA-N 2 1 371.550 3.306 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Sc3ccccc3)cc2)CC1 ZINC000533607654 503901384 /nfs/dbraw/zinc/90/13/84/503901384.db2.gz OJMHFIOZEFWIPU-UHFFFAOYSA-N 2 1 369.534 3.092 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)[C@@]12CCCO2 ZINC000546870286 503909775 /nfs/dbraw/zinc/90/97/75/503909775.db2.gz FGYGTLRJLRUQMZ-PTROGCMSSA-N 2 1 370.537 3.213 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000527762837 503932275 /nfs/dbraw/zinc/93/22/75/503932275.db2.gz NMMNIUKFPFBLST-DENIHFKCSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540962450 503955509 /nfs/dbraw/zinc/95/55/09/503955509.db2.gz XYNLXLSSMVGQLY-XLIONFOSSA-N 2 1 352.478 3.458 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3ccccc3F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000543995409 503965825 /nfs/dbraw/zinc/96/58/25/503965825.db2.gz JSVNXVBUFNOQGI-AJTFCVKESA-N 2 1 354.469 3.298 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3ccccc3F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543995409 503965829 /nfs/dbraw/zinc/96/58/29/503965829.db2.gz JSVNXVBUFNOQGI-AJTFCVKESA-N 2 1 354.469 3.298 20 0 FGADMP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(C)C ZINC000540988596 503966910 /nfs/dbraw/zinc/96/69/10/503966910.db2.gz NVVPSNVJZIYBGS-PCCBWWKXSA-N 2 1 360.542 3.327 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402357 503974638 /nfs/dbraw/zinc/97/46/38/503974638.db2.gz XNEFNOJZCDVCGM-DYXWJJEUSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402357 503974643 /nfs/dbraw/zinc/97/46/43/503974643.db2.gz XNEFNOJZCDVCGM-DYXWJJEUSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402357 503974646 /nfs/dbraw/zinc/97/46/46/503974646.db2.gz XNEFNOJZCDVCGM-DYXWJJEUSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](NCCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)n(C)n1 ZINC000527892829 503987607 /nfs/dbraw/zinc/98/76/07/503987607.db2.gz BJFGOXRAEJBNMR-ROUUACIJSA-N 2 1 356.514 3.239 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000533968540 504004061 /nfs/dbraw/zinc/00/40/61/504004061.db2.gz AQDXOXDXBQVBND-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000533968540 504004067 /nfs/dbraw/zinc/00/40/67/504004067.db2.gz AQDXOXDXBQVBND-QGZVFWFLSA-N 2 1 351.494 3.442 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000541120882 504016348 /nfs/dbraw/zinc/01/63/48/504016348.db2.gz RQBQIBNSFHETNM-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000527991855 504029121 /nfs/dbraw/zinc/02/91/21/504029121.db2.gz XAMBUWSQAIHMBW-MZADTFQBSA-N 2 1 351.494 3.418 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000527991424 504029492 /nfs/dbraw/zinc/02/94/92/504029492.db2.gz VPJIFAULTGSIDA-NJDAHSKKSA-N 2 1 351.494 3.133 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)C[NH+]1CCCC1 ZINC000534060178 504029718 /nfs/dbraw/zinc/02/97/18/504029718.db2.gz ZXCUESFKRRIDFU-LRDDRELGSA-N 2 1 373.722 3.136 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2C)CC1 ZINC000528008030 504036706 /nfs/dbraw/zinc/03/67/06/504036706.db2.gz WCQDPTMGQFOKIL-HBGVWJBISA-N 2 1 355.526 3.446 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000528013475 504039212 /nfs/dbraw/zinc/03/92/12/504039212.db2.gz FILMDDLPISTFHF-MRXNPFEDSA-N 2 1 354.498 3.480 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528016296 504041649 /nfs/dbraw/zinc/04/16/49/504041649.db2.gz RDSLGBSBLQKTTP-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000541221550 504049090 /nfs/dbraw/zinc/04/90/90/504049090.db2.gz SCVQROMQTNWDSZ-SFHVURJKSA-N 2 1 367.331 3.263 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000534220799 504076137 /nfs/dbraw/zinc/07/61/37/504076137.db2.gz SFZWEKFPQWSENA-SFHVURJKSA-N 2 1 366.465 3.222 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000534220799 504076138 /nfs/dbraw/zinc/07/61/38/504076138.db2.gz SFZWEKFPQWSENA-SFHVURJKSA-N 2 1 366.465 3.222 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113077 504076203 /nfs/dbraw/zinc/07/62/03/504076203.db2.gz HRHLCVVZRIKRQR-BHDDXSALSA-N 2 1 371.569 3.239 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113077 504076207 /nfs/dbraw/zinc/07/62/07/504076207.db2.gz HRHLCVVZRIKRQR-BHDDXSALSA-N 2 1 371.569 3.239 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113077 504076211 /nfs/dbraw/zinc/07/62/11/504076211.db2.gz HRHLCVVZRIKRQR-BHDDXSALSA-N 2 1 371.569 3.239 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021659 504117022 /nfs/dbraw/zinc/11/70/22/504117022.db2.gz UIBCDEWFCNCQDI-LGWLGOQQSA-N 2 1 369.431 3.129 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021659 504117030 /nfs/dbraw/zinc/11/70/30/504117030.db2.gz UIBCDEWFCNCQDI-LGWLGOQQSA-N 2 1 369.431 3.129 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507888 504130740 /nfs/dbraw/zinc/13/07/40/504130740.db2.gz DJWPEVCTUVGVFM-MIUGBVLSSA-N 2 1 358.526 3.213 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266323 504138816 /nfs/dbraw/zinc/13/88/16/504138816.db2.gz JCXRCBIKDFFAFW-IEBWSBKVSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266323 504138823 /nfs/dbraw/zinc/13/88/23/504138823.db2.gz JCXRCBIKDFFAFW-IEBWSBKVSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266323 504138830 /nfs/dbraw/zinc/13/88/30/504138830.db2.gz JCXRCBIKDFFAFW-IEBWSBKVSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266323 504138834 /nfs/dbraw/zinc/13/88/34/504138834.db2.gz JCXRCBIKDFFAFW-IEBWSBKVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519156764 504153241 /nfs/dbraw/zinc/15/32/41/504153241.db2.gz LHHRGNKXGKYEDW-STZQEDGTSA-N 2 1 369.553 3.135 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC(=O)Nc4ccccc43)CC2)nc(C)[nH+]1 ZINC000541545390 504171800 /nfs/dbraw/zinc/17/18/00/504171800.db2.gz MJJWLFMMUVIPCM-IBGZPJMESA-N 2 1 365.481 3.125 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000531079974 504182684 /nfs/dbraw/zinc/18/26/84/504182684.db2.gz BNHDXLIFQREOPC-KRXQYRFLSA-N 2 1 351.922 3.320 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000519286045 504183850 /nfs/dbraw/zinc/18/38/50/504183850.db2.gz SZLLGAMCPYGGGG-OAQYLSRUSA-N 2 1 357.542 3.294 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000519286045 504183857 /nfs/dbraw/zinc/18/38/57/504183857.db2.gz SZLLGAMCPYGGGG-OAQYLSRUSA-N 2 1 357.542 3.294 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000519286045 504183864 /nfs/dbraw/zinc/18/38/64/504183864.db2.gz SZLLGAMCPYGGGG-OAQYLSRUSA-N 2 1 357.542 3.294 20 0 FGADMP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000528363889 504188994 /nfs/dbraw/zinc/18/89/94/504188994.db2.gz GIMDMAMPXQXNLN-BBTUJRGHSA-N 2 1 363.521 3.004 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107755 504192008 /nfs/dbraw/zinc/19/20/08/504192008.db2.gz SXAADNOWFRPGHQ-MRXNPFEDSA-N 2 1 363.571 3.074 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000519358288 504201308 /nfs/dbraw/zinc/20/13/08/504201308.db2.gz UVRFCMQNVGRRNF-KDURUIRLSA-N 2 1 372.557 3.345 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000531142568 504203491 /nfs/dbraw/zinc/20/34/91/504203491.db2.gz PQYQNOOSNCBQPT-HNNXBMFYSA-N 2 1 374.481 3.438 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681341 504215241 /nfs/dbraw/zinc/21/52/41/504215241.db2.gz XCLXEGDFEKBNKA-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681341 504215248 /nfs/dbraw/zinc/21/52/48/504215248.db2.gz XCLXEGDFEKBNKA-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681341 504215253 /nfs/dbraw/zinc/21/52/53/504215253.db2.gz XCLXEGDFEKBNKA-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681343 504215601 /nfs/dbraw/zinc/21/56/01/504215601.db2.gz XCLXEGDFEKBNKA-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681343 504215605 /nfs/dbraw/zinc/21/56/05/504215605.db2.gz XCLXEGDFEKBNKA-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681343 504215612 /nfs/dbraw/zinc/21/56/12/504215612.db2.gz XCLXEGDFEKBNKA-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cc(CO)ccc1F ZINC000528431574 504221119 /nfs/dbraw/zinc/22/11/19/504221119.db2.gz NHOYHGVBHRMNEG-UHFFFAOYSA-N 2 1 357.473 3.452 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000519452994 504224050 /nfs/dbraw/zinc/22/40/50/504224050.db2.gz RVFFFJJVOSJDSJ-CEXWTWQISA-N 2 1 374.573 3.304 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@@H+]1Cc1ccccc1 ZINC000541737996 504238007 /nfs/dbraw/zinc/23/80/07/504238007.db2.gz FIRKASSYJOIVHJ-UWJYYQICSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@H+]1Cc1ccccc1 ZINC000541737996 504238012 /nfs/dbraw/zinc/23/80/12/504238012.db2.gz FIRKASSYJOIVHJ-UWJYYQICSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)s1 ZINC000541740524 504239441 /nfs/dbraw/zinc/23/94/41/504239441.db2.gz CLZBSCZVYUGQPP-MRXNPFEDSA-N 2 1 357.523 3.230 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282827 504251510 /nfs/dbraw/zinc/25/15/10/504251510.db2.gz NZEVCKYTRKSPOH-TZIWHRDSSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000531282827 504251516 /nfs/dbraw/zinc/25/15/16/504251516.db2.gz NZEVCKYTRKSPOH-TZIWHRDSSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000531282827 504251521 /nfs/dbraw/zinc/25/15/21/504251521.db2.gz NZEVCKYTRKSPOH-TZIWHRDSSA-N 2 1 357.542 3.422 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000519571454 504257747 /nfs/dbraw/zinc/25/77/47/504257747.db2.gz QNUVHAPCVSKBKD-NQIIRXRSSA-N 2 1 374.573 3.217 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799264 504258545 /nfs/dbraw/zinc/25/85/45/504258545.db2.gz TYRPQQWCWVWMSW-PGRDOPGGSA-N 2 1 365.521 3.105 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379065 504284853 /nfs/dbraw/zinc/28/48/53/504284853.db2.gz VFCYVKALKVGNOG-HYVNUMGLSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379065 504284859 /nfs/dbraw/zinc/28/48/59/504284859.db2.gz VFCYVKALKVGNOG-HYVNUMGLSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379065 504284863 /nfs/dbraw/zinc/28/48/63/504284863.db2.gz VFCYVKALKVGNOG-HYVNUMGLSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000519652562 504289911 /nfs/dbraw/zinc/28/99/11/504289911.db2.gz SZHXLWHGDIJWBO-NRFANRHFSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534983028 504302172 /nfs/dbraw/zinc/30/21/72/504302172.db2.gz JHRFLENGWYYLMF-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534983028 504302175 /nfs/dbraw/zinc/30/21/75/504302175.db2.gz JHRFLENGWYYLMF-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534983028 504302178 /nfs/dbraw/zinc/30/21/78/504302178.db2.gz JHRFLENGWYYLMF-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000528643059 504309488 /nfs/dbraw/zinc/30/94/88/504309488.db2.gz ZGDNVGNLVKBAAW-QFIPXVFZSA-N 2 1 372.553 3.426 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538751503 504358367 /nfs/dbraw/zinc/35/83/67/504358367.db2.gz SXQUTVGHPGRDJM-OAHLLOKOSA-N 2 1 374.481 3.392 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538751503 504358370 /nfs/dbraw/zinc/35/83/70/504358370.db2.gz SXQUTVGHPGRDJM-OAHLLOKOSA-N 2 1 374.481 3.392 20 0 FGADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678238 504390297 /nfs/dbraw/zinc/39/02/97/504390297.db2.gz QRUIXNVAUHMIMR-VQIMIIECSA-N 2 1 361.530 3.397 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)NC)cc2)CC1)CC1CC1 ZINC000538857703 504394645 /nfs/dbraw/zinc/39/46/45/504394645.db2.gz XLEGKVBTIBKFSL-UHFFFAOYSA-N 2 1 357.542 3.380 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000531696872 504396108 /nfs/dbraw/zinc/39/61/08/504396108.db2.gz AAMMSBHBZVAJJB-AAIMPIBUSA-N 2 1 370.512 3.477 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712800 504400284 /nfs/dbraw/zinc/40/02/84/504400284.db2.gz UICWRKJDRBXOOW-JOQOYGCGSA-N 2 1 371.447 3.203 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712800 504400288 /nfs/dbraw/zinc/40/02/88/504400288.db2.gz UICWRKJDRBXOOW-JOQOYGCGSA-N 2 1 371.447 3.203 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)c2cccs2)CC1 ZINC000520190927 504431501 /nfs/dbraw/zinc/43/15/01/504431501.db2.gz RPKSQNXXJHCFHJ-INIZCTEOSA-N 2 1 369.456 3.244 20 0 FGADMP Cc1ccc([C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)o1 ZINC000545309084 504439164 /nfs/dbraw/zinc/43/91/64/504439164.db2.gz SKHFQPZXDZFRBL-IBGZPJMESA-N 2 1 361.530 3.496 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000520272328 504451461 /nfs/dbraw/zinc/45/14/61/504451461.db2.gz YLXYLTZBVPBDMT-AZUAARDMSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@H]1c1cccs1 ZINC000545344415 504452283 /nfs/dbraw/zinc/45/22/83/504452283.db2.gz DXPIXFAHXSRMLW-APWZRJJASA-N 2 1 371.554 3.445 20 0 FGADMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@H]1c1cccs1 ZINC000545344415 504452288 /nfs/dbraw/zinc/45/22/88/504452288.db2.gz DXPIXFAHXSRMLW-APWZRJJASA-N 2 1 371.554 3.445 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481467 504459825 /nfs/dbraw/zinc/45/98/25/504459825.db2.gz QOSYREVDWKXOMF-NQIIRXRSSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000539088898 504469444 /nfs/dbraw/zinc/46/94/44/504469444.db2.gz CIRLNYRJQNEZOH-BVYCBKJFSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000539148219 504487818 /nfs/dbraw/zinc/48/78/18/504487818.db2.gz VTOIGCLWRNRRQO-HMVHIAHLSA-N 2 1 358.526 3.290 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@H](C)O1 ZINC000539148219 504487822 /nfs/dbraw/zinc/48/78/22/504487822.db2.gz VTOIGCLWRNRRQO-HMVHIAHLSA-N 2 1 358.526 3.290 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405812 504490878 /nfs/dbraw/zinc/49/08/78/504490878.db2.gz YHRNXXMZAXTCLL-NJDAHSKKSA-N 2 1 369.553 3.420 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405812 504490883 /nfs/dbraw/zinc/49/08/83/504490883.db2.gz YHRNXXMZAXTCLL-NJDAHSKKSA-N 2 1 369.553 3.420 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000539200341 504496815 /nfs/dbraw/zinc/49/68/15/504496815.db2.gz FQHGIUBUGQGDIK-UYAOXDASSA-N 2 1 361.505 3.234 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2N2CCOCC2)cc1 ZINC000531995369 504498513 /nfs/dbraw/zinc/49/85/13/504498513.db2.gz UGABKDQCMHELLM-BULFRSBZSA-N 2 1 368.525 3.475 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535703544 504512080 /nfs/dbraw/zinc/51/20/80/504512080.db2.gz KMKDVUWUNUJVCB-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000529116494 504541091 /nfs/dbraw/zinc/54/10/91/504541091.db2.gz YJIOQESWUMZJTF-AZUAARDMSA-N 2 1 356.514 3.374 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000548739710 504547748 /nfs/dbraw/zinc/54/77/48/504547748.db2.gz DYQXDDDUIKYPBD-OTWHNJEPSA-N 2 1 357.542 3.379 20 0 FGADMP COc1ccc([C@H](C)C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000539381635 504549139 /nfs/dbraw/zinc/54/91/39/504549139.db2.gz JNVXDXJWZXGQTP-YLJYHZDGSA-N 2 1 373.566 3.439 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000535806503 504550945 /nfs/dbraw/zinc/55/09/45/504550945.db2.gz ZFNVYJWRSMYMHQ-IRLDBZIGSA-N 2 1 371.569 3.467 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C12CCCC2 ZINC000539499795 504591923 /nfs/dbraw/zinc/59/19/23/504591923.db2.gz KLGFHNVYWLPIJD-LEWJYISDSA-N 2 1 358.526 3.346 20 0 FGADMP CC(C)CO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000539508146 504594644 /nfs/dbraw/zinc/59/46/44/504594644.db2.gz SMVXQBSYKBQLHT-OALUTQOASA-N 2 1 352.563 3.451 20 0 FGADMP COc1cc(C)ccc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542848358 504633101 /nfs/dbraw/zinc/63/31/01/504633101.db2.gz KNAQAKOTXSMDAK-YLJYHZDGSA-N 2 1 354.494 3.421 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539742296 504672149 /nfs/dbraw/zinc/67/21/49/504672149.db2.gz WXRLNMHDZCRUHW-LAUBAEHRSA-N 2 1 366.509 3.159 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539742296 504672155 /nfs/dbraw/zinc/67/21/55/504672155.db2.gz WXRLNMHDZCRUHW-LAUBAEHRSA-N 2 1 366.509 3.159 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299855 504691017 /nfs/dbraw/zinc/69/10/17/504691017.db2.gz WOVAVDGKBCKJJY-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299855 504691023 /nfs/dbraw/zinc/69/10/23/504691023.db2.gz WOVAVDGKBCKJJY-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299855 504691031 /nfs/dbraw/zinc/69/10/31/504691031.db2.gz WOVAVDGKBCKJJY-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000536299855 504691036 /nfs/dbraw/zinc/69/10/36/504691036.db2.gz WOVAVDGKBCKJJY-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@H]1C ZINC000539816980 504698957 /nfs/dbraw/zinc/69/89/57/504698957.db2.gz IBOQZNROIUMYQS-HIFRSBDPSA-N 2 1 365.319 3.401 20 0 FGADMP CC1(C)CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000532616061 504711394 /nfs/dbraw/zinc/71/13/94/504711394.db2.gz RDXQWBGXIHEISH-PMACEKPBSA-N 2 1 357.542 3.442 20 0 FGADMP CC1(C)CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000532616065 504711629 /nfs/dbraw/zinc/71/16/29/504711629.db2.gz RDXQWBGXIHEISH-UXHICEINSA-N 2 1 357.542 3.442 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000521354833 504717033 /nfs/dbraw/zinc/71/70/33/504717033.db2.gz GSDZFFHUMHYEHM-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208234 504724546 /nfs/dbraw/zinc/72/45/46/504724546.db2.gz UDLKMMRRDPPHIK-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208234 504724548 /nfs/dbraw/zinc/72/45/48/504724548.db2.gz UDLKMMRRDPPHIK-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549208234 504724551 /nfs/dbraw/zinc/72/45/51/504724551.db2.gz UDLKMMRRDPPHIK-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543115651 504731004 /nfs/dbraw/zinc/73/10/04/504731004.db2.gz VDSXHTYBMIPNDU-SJLPKXTDSA-N 2 1 351.485 3.216 20 0 FGADMP CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000532769750 504755002 /nfs/dbraw/zinc/75/50/02/504755002.db2.gz ASNHDFFNHGVXKQ-RTBURBONSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1)CC1CC1 ZINC000540010158 504759052 /nfs/dbraw/zinc/75/90/52/504759052.db2.gz XJJZCIDFCBAWOW-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1)CC1CC1 ZINC000540010158 504759054 /nfs/dbraw/zinc/75/90/54/504759054.db2.gz XJJZCIDFCBAWOW-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CC1)CC1CC1 ZINC000540010158 504759057 /nfs/dbraw/zinc/75/90/57/504759057.db2.gz XJJZCIDFCBAWOW-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1)CC1CC1 ZINC000540046058 504765461 /nfs/dbraw/zinc/76/54/61/504765461.db2.gz BHNAEMKOUUVQMO-UHFFFAOYSA-N 2 1 361.530 3.072 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H]3CCc4ccccc43)CC2)CC1 ZINC000552917756 504786978 /nfs/dbraw/zinc/78/69/78/504786978.db2.gz ITXGGDQIAPNTEB-QFIPXVFZSA-N 2 1 369.553 3.329 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096896 504792102 /nfs/dbraw/zinc/79/21/02/504792102.db2.gz JLZAGNYWFIMYTB-SFTDATJTSA-N 2 1 360.542 3.054 20 0 FGADMP CC(C)[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096896 504792106 /nfs/dbraw/zinc/79/21/06/504792106.db2.gz JLZAGNYWFIMYTB-SFTDATJTSA-N 2 1 360.542 3.054 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000565156711 504810247 /nfs/dbraw/zinc/81/02/47/504810247.db2.gz JTNODQZTKKXBRT-GOSISDBHSA-N 2 1 359.514 3.272 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000565156711 504810249 /nfs/dbraw/zinc/81/02/49/504810249.db2.gz JTNODQZTKKXBRT-GOSISDBHSA-N 2 1 359.514 3.272 20 0 FGADMP CC[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000559278850 504818792 /nfs/dbraw/zinc/81/87/92/504818792.db2.gz RPYJJGSTKFSACQ-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@H](N4CCOCC4)CC3)ccc2O1 ZINC000565229864 504830826 /nfs/dbraw/zinc/83/08/26/504830826.db2.gz ONHMJMLNBNUZOY-FQEVSTJZSA-N 2 1 358.526 3.477 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472088 504831897 /nfs/dbraw/zinc/83/18/97/504831897.db2.gz QGTUWAKIDFKYGB-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326424 504884425 /nfs/dbraw/zinc/88/44/25/504884425.db2.gz DHGNYUBCWPDWTC-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553326424 504884428 /nfs/dbraw/zinc/88/44/28/504884428.db2.gz DHGNYUBCWPDWTC-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553326424 504884431 /nfs/dbraw/zinc/88/44/31/504884431.db2.gz DHGNYUBCWPDWTC-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)ccc2n1 ZINC000565445839 504889146 /nfs/dbraw/zinc/88/91/46/504889146.db2.gz TTWGAGCGMAOFTE-APWZRJJASA-N 2 1 363.465 3.427 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351287 504890775 /nfs/dbraw/zinc/89/07/75/504890775.db2.gz HJXXDBHOESASQK-PZJWPPBQSA-N 2 1 369.484 3.067 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000556506046 504892264 /nfs/dbraw/zinc/89/22/64/504892264.db2.gz HYVROIZYBBXPSK-QFIPXVFZSA-N 2 1 363.505 3.195 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000556506046 504892267 /nfs/dbraw/zinc/89/22/67/504892267.db2.gz HYVROIZYBBXPSK-QFIPXVFZSA-N 2 1 363.505 3.195 20 0 FGADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000556570158 504906274 /nfs/dbraw/zinc/90/62/74/504906274.db2.gz CZKCWSUGBLGDMQ-HXUWFJFHSA-N 2 1 358.530 3.273 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000562767651 504938373 /nfs/dbraw/zinc/93/83/73/504938373.db2.gz LGIBUMMJVGBOPZ-LPHOPBHVSA-N 2 1 364.493 3.117 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000562772516 504940678 /nfs/dbraw/zinc/94/06/78/504940678.db2.gz DVMYIQUHPYTKGI-IYBDPMFKSA-N 2 1 374.529 3.047 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553528554 504940959 /nfs/dbraw/zinc/94/09/59/504940959.db2.gz QVNZDCXNFSFEMH-WIYYLYMNSA-N 2 1 357.542 3.402 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553528550 504941528 /nfs/dbraw/zinc/94/15/28/504941528.db2.gz QVNZDCXNFSFEMH-GHTZIAJQSA-N 2 1 357.542 3.402 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000550138771 504975531 /nfs/dbraw/zinc/97/55/31/504975531.db2.gz DWPNCWXFXDESHX-LJQANCHMSA-N 2 1 357.542 3.340 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCc4cccnc4CC3)CC2)oc1C ZINC000562950955 504998409 /nfs/dbraw/zinc/99/84/09/504998409.db2.gz DWBQIRYXAXMASK-HXUWFJFHSA-N 2 1 368.525 3.436 20 0 FGADMP CC(C)Cc1cccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000556871128 505001350 /nfs/dbraw/zinc/00/13/50/505001350.db2.gz SVJCDBPMIAAXFR-SFHVURJKSA-N 2 1 359.558 3.478 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000565853730 505006889 /nfs/dbraw/zinc/00/68/89/505006889.db2.gz GMXGDFJYCSHFQD-UHFFFAOYSA-N 2 1 369.387 3.052 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)cc1)C1CC1 ZINC000553781837 505007975 /nfs/dbraw/zinc/00/79/75/505007975.db2.gz GLRUXNINTZMFDW-KGVIQGDOSA-N 2 1 369.553 3.473 20 0 FGADMP CCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCC[C@H](C)C1 ZINC000556950632 505027248 /nfs/dbraw/zinc/02/72/48/505027248.db2.gz IGMPVIVVEHMZHQ-ICSRJNTNSA-N 2 1 359.562 3.409 20 0 FGADMP CCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCC[C@H](C)C1 ZINC000556950632 505027252 /nfs/dbraw/zinc/02/72/52/505027252.db2.gz IGMPVIVVEHMZHQ-ICSRJNTNSA-N 2 1 359.562 3.409 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(I)c3)CC[C@H]21 ZINC000560258683 505031858 /nfs/dbraw/zinc/03/18/58/505031858.db2.gz SCRIMTQCDGNHMA-GDBMZVCRSA-N 2 1 370.278 3.207 20 0 FGADMP Cn1nc(C2CC2)nc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000563061360 505036851 /nfs/dbraw/zinc/03/68/51/505036851.db2.gz GQLMEBOPTJMFPG-UHFFFAOYSA-N 2 1 365.525 3.181 20 0 FGADMP Cn1nc(C2CC2)nc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000563061360 505036852 /nfs/dbraw/zinc/03/68/52/505036852.db2.gz GQLMEBOPTJMFPG-UHFFFAOYSA-N 2 1 365.525 3.181 20 0 FGADMP [NH3+]C[C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)c1ccccc1 ZINC000563094564 505046608 /nfs/dbraw/zinc/04/66/08/505046608.db2.gz OSEPUBHQWXYZPL-KRWDZBQOSA-N 2 1 358.511 3.200 20 0 FGADMP C[C@@H](CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)n1ccnc1 ZINC000557027361 505048102 /nfs/dbraw/zinc/04/81/02/505048102.db2.gz PQLOBGYTWIBUKT-SFHVURJKSA-N 2 1 362.477 3.332 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000563208170 505076536 /nfs/dbraw/zinc/07/65/36/505076536.db2.gz UXKOPTJHWYNTQQ-UTKZUKDTSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000563208170 505076543 /nfs/dbraw/zinc/07/65/43/505076543.db2.gz UXKOPTJHWYNTQQ-UTKZUKDTSA-N 2 1 373.541 3.198 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)n1ccnc1 ZINC000563221944 505080188 /nfs/dbraw/zinc/08/01/88/505080188.db2.gz RAMXHKPKLVUVLS-LBPRGKRZSA-N 2 1 365.275 3.297 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)C[C@H]1c1ccccc1 ZINC000550678519 505083987 /nfs/dbraw/zinc/08/39/87/505083987.db2.gz HKNYSYWPIMENOA-BJLQDIEVSA-N 2 1 354.473 3.225 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)C[C@H]1c1ccccc1 ZINC000550678519 505083990 /nfs/dbraw/zinc/08/39/90/505083990.db2.gz HKNYSYWPIMENOA-BJLQDIEVSA-N 2 1 354.473 3.225 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550681831 505084927 /nfs/dbraw/zinc/08/49/27/505084927.db2.gz ULMGPVVLEFYAKD-RZUBCFFCSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550681831 505084928 /nfs/dbraw/zinc/08/49/28/505084928.db2.gz ULMGPVVLEFYAKD-RZUBCFFCSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550681831 505084931 /nfs/dbraw/zinc/08/49/31/505084931.db2.gz ULMGPVVLEFYAKD-RZUBCFFCSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550681831 505084934 /nfs/dbraw/zinc/08/49/34/505084934.db2.gz ULMGPVVLEFYAKD-RZUBCFFCSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550681831 505084936 /nfs/dbraw/zinc/08/49/36/505084936.db2.gz ULMGPVVLEFYAKD-RZUBCFFCSA-N 2 1 365.606 3.461 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336655 505110376 /nfs/dbraw/zinc/11/03/76/505110376.db2.gz TYQJUSSDMXRGGT-RTBURBONSA-N 2 1 358.530 3.218 20 0 FGADMP CCOc1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000557337973 505110521 /nfs/dbraw/zinc/11/05/21/505110521.db2.gz IFNIDSQYRZCWBE-GOSISDBHSA-N 2 1 356.470 3.099 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830903 505111260 /nfs/dbraw/zinc/11/12/60/505111260.db2.gz LRANWQWCCWORNA-WSWWRLHASA-N 2 1 371.569 3.429 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192601 505113273 /nfs/dbraw/zinc/11/32/73/505113273.db2.gz ZYFJOVPEAAUPPT-QWFCFKBJSA-N 2 1 360.546 3.017 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000560524503 505114267 /nfs/dbraw/zinc/11/42/67/505114267.db2.gz DFLANTLPYIIMKQ-QHAWAJNXSA-N 2 1 369.553 3.313 20 0 FGADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000560528125 505115810 /nfs/dbraw/zinc/11/58/10/505115810.db2.gz NRZBCZVGVPLNMT-QLFBSQMISA-N 2 1 354.516 3.075 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000560528781 505116480 /nfs/dbraw/zinc/11/64/80/505116480.db2.gz KRZVHVRTFMGRMF-NCYKPQTJSA-N 2 1 360.567 3.135 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccncc1F ZINC000550885621 505119416 /nfs/dbraw/zinc/11/94/16/505119416.db2.gz ITSHDJWJYOPJSF-UTKZUKDTSA-N 2 1 356.489 3.250 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@H]21 ZINC000566244377 505121577 /nfs/dbraw/zinc/12/15/77/505121577.db2.gz UWRPCEAHAMJTFC-KSEOMHKRSA-N 2 1 363.505 3.279 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@H]21 ZINC000566244377 505121581 /nfs/dbraw/zinc/12/15/81/505121581.db2.gz UWRPCEAHAMJTFC-KSEOMHKRSA-N 2 1 363.505 3.279 20 0 FGADMP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000560549839 505122534 /nfs/dbraw/zinc/12/25/34/505122534.db2.gz ZIGDSWIECDCELN-CEMLEFRQSA-N 2 1 352.526 3.243 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252189 505125661 /nfs/dbraw/zinc/12/56/61/505125661.db2.gz GXNGDLMZCCGBQT-OKZBNKHCSA-N 2 1 364.534 3.273 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H](C)Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000563397941 505131941 /nfs/dbraw/zinc/13/19/41/505131941.db2.gz NHXKBRPHSNUVPV-RDTXWAMCSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@H+](C)[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397941 505131944 /nfs/dbraw/zinc/13/19/44/505131944.db2.gz NHXKBRPHSNUVPV-RDTXWAMCSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397941 505131946 /nfs/dbraw/zinc/13/19/46/505131946.db2.gz NHXKBRPHSNUVPV-RDTXWAMCSA-N 2 1 362.905 3.441 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H]1c1ccccc1 ZINC000550995120 505138769 /nfs/dbraw/zinc/13/87/69/505138769.db2.gz BVHGCDHTCSCRKO-SFTDATJTSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H]1c1ccccc1 ZINC000550995120 505138773 /nfs/dbraw/zinc/13/87/73/505138773.db2.gz BVHGCDHTCSCRKO-SFTDATJTSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000551004874 505141438 /nfs/dbraw/zinc/14/14/38/505141438.db2.gz ACTPQYNSEQPHCS-RYQLBKOJSA-N 2 1 355.448 3.296 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000551004874 505141442 /nfs/dbraw/zinc/14/14/42/505141442.db2.gz ACTPQYNSEQPHCS-RYQLBKOJSA-N 2 1 355.448 3.296 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)C[C@H]1c1ccccc1 ZINC000551051164 505148030 /nfs/dbraw/zinc/14/80/30/505148030.db2.gz OGMQQFCIIOPOSW-MZKRTTBSSA-N 2 1 363.505 3.496 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)C[C@H]1c1ccccc1 ZINC000551051164 505148033 /nfs/dbraw/zinc/14/80/33/505148033.db2.gz OGMQQFCIIOPOSW-MZKRTTBSSA-N 2 1 363.505 3.496 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCO[C@H](C(C)C)C2)CC1 ZINC000560639880 505151740 /nfs/dbraw/zinc/15/17/40/505151740.db2.gz SCOVGCDRPSVANJ-QFIPXVFZSA-N 2 1 359.558 3.466 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070113 505152373 /nfs/dbraw/zinc/15/23/73/505152373.db2.gz TXYYTGWGJBVSOE-SVFBPWRDSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070113 505152376 /nfs/dbraw/zinc/15/23/76/505152376.db2.gz TXYYTGWGJBVSOE-SVFBPWRDSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070113 505152380 /nfs/dbraw/zinc/15/23/80/505152380.db2.gz TXYYTGWGJBVSOE-SVFBPWRDSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070113 505152383 /nfs/dbraw/zinc/15/23/83/505152383.db2.gz TXYYTGWGJBVSOE-SVFBPWRDSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)N1CCCC[C@@H]1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070113 505152385 /nfs/dbraw/zinc/15/23/85/505152385.db2.gz TXYYTGWGJBVSOE-SVFBPWRDSA-N 2 1 351.579 3.071 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H](N[C@@H]3C[C@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614385 505222719 /nfs/dbraw/zinc/22/27/19/505222719.db2.gz NXIVUXJISGLTSH-WQTXXOFMSA-N 2 1 367.493 3.013 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N[C@@H]3C[C@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614385 505222722 /nfs/dbraw/zinc/22/27/22/505222722.db2.gz NXIVUXJISGLTSH-WQTXXOFMSA-N 2 1 367.493 3.013 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1(c2ccccc2)CCCC1 ZINC000554735053 505252542 /nfs/dbraw/zinc/25/25/42/505252542.db2.gz OHMIJIOGBOXWPB-LJQANCHMSA-N 2 1 371.569 3.419 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841657 505277661 /nfs/dbraw/zinc/27/76/61/505277661.db2.gz LVWFMRXFOCZKCV-NRFANRHFSA-N 2 1 365.521 3.437 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c1 ZINC000554841657 505277665 /nfs/dbraw/zinc/27/76/65/505277665.db2.gz LVWFMRXFOCZKCV-NRFANRHFSA-N 2 1 365.521 3.437 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000566924073 505312863 /nfs/dbraw/zinc/31/28/63/505312863.db2.gz MBRXZGGUJDNOBD-UNMCSNQZSA-N 2 1 369.553 3.103 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813594 505316893 /nfs/dbraw/zinc/31/68/93/505316893.db2.gz NFTPSWNGVJEREW-FGZHOGPDSA-N 2 1 357.542 3.360 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000551976308 505359039 /nfs/dbraw/zinc/35/90/39/505359039.db2.gz JIGVMRXUDSTPCZ-UHFFFAOYSA-N 2 1 354.498 3.381 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000551976308 505359043 /nfs/dbraw/zinc/35/90/43/505359043.db2.gz JIGVMRXUDSTPCZ-UHFFFAOYSA-N 2 1 354.498 3.381 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000555162634 505367961 /nfs/dbraw/zinc/36/79/61/505367961.db2.gz RJGHQIOATYVVMK-SBHAEUEKSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555162634 505367965 /nfs/dbraw/zinc/36/79/65/505367965.db2.gz RJGHQIOATYVVMK-SBHAEUEKSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555162634 505367970 /nfs/dbraw/zinc/36/79/70/505367970.db2.gz RJGHQIOATYVVMK-SBHAEUEKSA-N 2 1 374.573 3.459 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)CNCc3nc4ccccc4s3)c2cc1C ZINC000564472514 505428902 /nfs/dbraw/zinc/42/89/02/505428902.db2.gz GFIDGCPROQRPQR-HNNXBMFYSA-N 2 1 366.490 3.414 20 0 FGADMP [NH3+]CC[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567337013 505434170 /nfs/dbraw/zinc/43/41/70/505434170.db2.gz LCENKUJTIZSSJO-NHCUHLMSSA-N 2 1 372.557 3.059 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000558608739 505438293 /nfs/dbraw/zinc/43/82/93/505438293.db2.gz WJZLVKWCOCOKIQ-LJQANCHMSA-N 2 1 374.573 3.379 20 0 FGADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386873 505448478 /nfs/dbraw/zinc/44/84/78/505448478.db2.gz LKGLIEQXQBOPSW-LFGUQSLTSA-N 2 1 365.521 3.337 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccn2ccnc2c1 ZINC000562083988 505513299 /nfs/dbraw/zinc/51/32/99/505513299.db2.gz LZTMADLNSUSTKI-UHFFFAOYSA-N 2 1 351.454 3.496 20 0 FGADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564828584 505531266 /nfs/dbraw/zinc/53/12/66/505531266.db2.gz UJXRILWGGZZGHT-OXJNMPFZSA-N 2 1 364.555 3.443 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC[C@H](O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000567706553 505544586 /nfs/dbraw/zinc/54/45/86/505544586.db2.gz WBHUBIHCDFRIKX-JTHBVZDNSA-N 2 1 365.521 3.067 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955333 505562774 /nfs/dbraw/zinc/56/27/74/505562774.db2.gz XBCIYRNKJOZPSE-FGZHOGPDSA-N 2 1 365.521 3.495 20 0 FGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000608056608 506397966 /nfs/dbraw/zinc/39/79/66/506397966.db2.gz NVEJXEXHNNQQCV-JRGCBEDISA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000599312616 506406894 /nfs/dbraw/zinc/40/68/94/506406894.db2.gz QCNQBMVRUVSNBW-IBGZPJMESA-N 2 1 357.542 3.062 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000599312616 506406898 /nfs/dbraw/zinc/40/68/98/506406898.db2.gz QCNQBMVRUVSNBW-IBGZPJMESA-N 2 1 357.542 3.062 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167793 506449463 /nfs/dbraw/zinc/44/94/63/506449463.db2.gz SZLSCSCIUCCVLW-LEWJYISDSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(C)C ZINC000608616174 506634113 /nfs/dbraw/zinc/63/41/13/506634113.db2.gz VNMHOSVVPPHVLO-HXUWFJFHSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635036 506641829 /nfs/dbraw/zinc/64/18/29/506641829.db2.gz ZZYCTQXTQLFNIV-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635036 506641833 /nfs/dbraw/zinc/64/18/33/506641833.db2.gz ZZYCTQXTQLFNIV-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP Clc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000608749747 506693808 /nfs/dbraw/zinc/69/38/08/506693808.db2.gz WKPVWALZLSBDLC-UHFFFAOYSA-N 2 1 366.889 3.146 20 0 FGADMP CC[N@@H+](CC(=O)Nc1ccc(F)c(F)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999364 506701320 /nfs/dbraw/zinc/70/13/20/506701320.db2.gz BZPCCDGHJOCJGH-UHFFFAOYSA-N 2 1 361.436 3.487 20 0 FGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(I)c1 ZINC000583304726 506706099 /nfs/dbraw/zinc/70/60/99/506706099.db2.gz FMIPDFWMZIHWDY-SNVBAGLBSA-N 2 1 373.213 3.057 20 0 FGADMP CCC1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000583449713 506785436 /nfs/dbraw/zinc/78/54/36/506785436.db2.gz UBPQREYUPCTGRH-SFHVURJKSA-N 2 1 368.525 3.397 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CCCCC1 ZINC000612873021 506793380 /nfs/dbraw/zinc/79/33/80/506793380.db2.gz NQIIMTSZCDMRSD-NRFANRHFSA-N 2 1 358.530 3.002 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1Cl ZINC000597257747 506865497 /nfs/dbraw/zinc/86/54/97/506865497.db2.gz UZDNBAIAHIORER-MRXNPFEDSA-N 2 1 350.890 3.338 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1Cl ZINC000597257747 506865503 /nfs/dbraw/zinc/86/55/03/506865503.db2.gz UZDNBAIAHIORER-MRXNPFEDSA-N 2 1 350.890 3.338 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000590786546 506954594 /nfs/dbraw/zinc/95/45/94/506954594.db2.gz DSPUERIRXLQMNP-MLYOOKFZSA-N 2 1 351.579 3.368 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000583920081 507051305 /nfs/dbraw/zinc/05/13/05/507051305.db2.gz FGBLAOCPODFFAS-HXUWFJFHSA-N 2 1 350.466 3.076 20 0 FGADMP CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613383689 507061552 /nfs/dbraw/zinc/06/15/52/507061552.db2.gz ICXBRJGGHMNPQF-NSHGMRRFSA-N 2 1 374.569 3.291 20 0 FGADMP CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613383689 507061559 /nfs/dbraw/zinc/06/15/59/507061559.db2.gz ICXBRJGGHMNPQF-NSHGMRRFSA-N 2 1 374.569 3.291 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096776 507113334 /nfs/dbraw/zinc/11/33/34/507113334.db2.gz AQQINWWLHBWVNE-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096776 507113339 /nfs/dbraw/zinc/11/33/39/507113339.db2.gz AQQINWWLHBWVNE-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP Cc1ccc(F)c(N2CCC[C@@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)c1 ZINC000605316763 507141174 /nfs/dbraw/zinc/14/11/74/507141174.db2.gz YLOMINLTNUUVQQ-HXUWFJFHSA-N 2 1 373.516 3.437 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000605340003 507153321 /nfs/dbraw/zinc/15/33/21/507153321.db2.gz FQTFNEATDPYNQY-LJQANCHMSA-N 2 1 374.529 3.013 20 0 FGADMP CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584290125 507262187 /nfs/dbraw/zinc/26/21/87/507262187.db2.gz FBIWUWLWGZUMND-NLWGTHIKSA-N 2 1 360.546 3.198 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000584358849 507301130 /nfs/dbraw/zinc/30/11/30/507301130.db2.gz IUIZDPOTGJHDMP-NSHDSACASA-N 2 1 361.243 3.313 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440384 507344778 /nfs/dbraw/zinc/34/47/78/507344778.db2.gz QCCVILLSPVPHSN-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440384 507344786 /nfs/dbraw/zinc/34/47/86/507344786.db2.gz QCCVILLSPVPHSN-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@H]1C ZINC000584440384 507344788 /nfs/dbraw/zinc/34/47/88/507344788.db2.gz QCCVILLSPVPHSN-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584519581 507390543 /nfs/dbraw/zinc/39/05/43/507390543.db2.gz FPLDCFGTPJYQHM-QHAWAJNXSA-N 2 1 372.557 3.105 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683460 507446691 /nfs/dbraw/zinc/44/66/91/507446691.db2.gz OSSZAYLJSLTCBT-KZNAEPCWSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683460 507446697 /nfs/dbraw/zinc/44/66/97/507446697.db2.gz OSSZAYLJSLTCBT-KZNAEPCWSA-N 2 1 356.432 3.386 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000606628102 507458673 /nfs/dbraw/zinc/45/86/73/507458673.db2.gz RYQPYEWZBUIOQS-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000595637169 507607825 /nfs/dbraw/zinc/60/78/25/507607825.db2.gz XYIZNGVZBSLITM-QGZVFWFLSA-N 2 1 352.567 3.249 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614726068 507637596 /nfs/dbraw/zinc/63/75/96/507637596.db2.gz WHKRLBQUGSNOLT-CEMLEFRQSA-N 2 1 369.553 3.026 20 0 FGADMP CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000607383913 507715631 /nfs/dbraw/zinc/71/56/31/507715631.db2.gz GSTXIBGOOTWKLY-QFIPXVFZSA-N 2 1 365.521 3.315 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[nH]c1C ZINC000602520375 507735940 /nfs/dbraw/zinc/73/59/40/507735940.db2.gz FTJUYWRCRNOABB-UHFFFAOYSA-N 2 1 356.401 3.033 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000615193023 507774200 /nfs/dbraw/zinc/77/42/00/507774200.db2.gz CYLQUAJFAWXLBU-KNQAVFIVSA-N 2 1 369.553 3.199 20 0 FGADMP COc1cccc([C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+](C)C)c1 ZINC000498876666 515097991 /nfs/dbraw/zinc/09/79/91/515097991.db2.gz QHSNAQVCQIUIJP-SFHVURJKSA-N 2 1 355.486 3.190 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@H]21)CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359870125 527478332 /nfs/dbraw/zinc/47/83/32/527478332.db2.gz LMWCVYULDMBYGC-PLACYPQZSA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000359870125 527478335 /nfs/dbraw/zinc/47/83/35/527478335.db2.gz LMWCVYULDMBYGC-PLACYPQZSA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000359870125 527478337 /nfs/dbraw/zinc/47/83/37/527478337.db2.gz LMWCVYULDMBYGC-PLACYPQZSA-N 2 1 350.547 3.444 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669117730 568032045 /nfs/dbraw/zinc/03/20/45/568032045.db2.gz AQTWNPGQESJZNX-FXAWDEMLSA-N 2 1 358.530 3.002 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)Nc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000821188551 607302875 /nfs/dbraw/zinc/30/28/75/607302875.db2.gz ADVWYZMZXBUTMG-HNNXBMFYSA-N 2 1 367.501 3.068 20 0 FGADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275178 599337708 /nfs/dbraw/zinc/33/77/08/599337708.db2.gz HYMAUJFMXRGQPV-MSOLQXFVSA-N 2 1 368.529 3.372 20 0 FGADMP c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519337 608363270 /nfs/dbraw/zinc/36/32/70/608363270.db2.gz UVPCEXMIMOQBER-MOPGFXCFSA-N 2 1 374.492 3.250 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000089139050 700382629 /nfs/dbraw/zinc/38/26/29/700382629.db2.gz AHROSKYZCPUOLX-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000103170181 700482394 /nfs/dbraw/zinc/48/23/94/700482394.db2.gz FOTOSGHWXPYOQF-AWEZNQCLSA-N 2 1 359.495 3.360 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)ccc2Cl)CC1 ZINC000136059368 704857434 /nfs/dbraw/zinc/85/74/34/704857434.db2.gz QAZKJYZPPRPQRN-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165056611 705336652 /nfs/dbraw/zinc/33/66/52/705336652.db2.gz DCCDAKMXKAPSGO-SFHVURJKSA-N 2 1 351.922 3.310 20 0 FGADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000193081027 712881677 /nfs/dbraw/zinc/88/16/77/712881677.db2.gz XPNYDGPNGKGPEJ-SFHVURJKSA-N 2 1 367.331 3.290 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420311 713604925 /nfs/dbraw/zinc/60/49/25/713604925.db2.gz HMENNNJJZLMANN-BZSNNMDCSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420311 713604927 /nfs/dbraw/zinc/60/49/27/713604927.db2.gz HMENNNJJZLMANN-BZSNNMDCSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000245420311 713604929 /nfs/dbraw/zinc/60/49/29/713604929.db2.gz HMENNNJJZLMANN-BZSNNMDCSA-N 2 1 353.551 3.296 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC000302424668 713783425 /nfs/dbraw/zinc/78/34/25/713783425.db2.gz ZPCZICOMZXLMPI-KRWDZBQOSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000375082197 713965467 /nfs/dbraw/zinc/96/54/67/713965467.db2.gz RMZBHACIEKEGKN-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H](CC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000380889546 713977333 /nfs/dbraw/zinc/97/73/33/713977333.db2.gz IMICAGGLXCPXAW-MRXNPFEDSA-N 2 1 351.535 3.240 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@@H](C)C[N@@H+]1CCO ZINC000419003679 714010550 /nfs/dbraw/zinc/01/05/50/714010550.db2.gz NMRHDUAWZWMZGO-OLZOCXBDSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@@H](C)C[N@H+]1CCO ZINC000419003679 714010554 /nfs/dbraw/zinc/01/05/54/714010554.db2.gz NMRHDUAWZWMZGO-OLZOCXBDSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000521698036 714142619 /nfs/dbraw/zinc/14/26/19/714142619.db2.gz NIUKSSYRFALBSF-SCTDSRPQSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903151 714211495 /nfs/dbraw/zinc/21/14/95/714211495.db2.gz RUCATNYODZGHCO-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903151 714211499 /nfs/dbraw/zinc/21/14/99/714211499.db2.gz RUCATNYODZGHCO-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000523603261 714242978 /nfs/dbraw/zinc/24/29/78/714242978.db2.gz KNXJUBZDFNDEGX-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000579822739 714498600 /nfs/dbraw/zinc/49/86/00/714498600.db2.gz OIPRTODNFOLHQG-ZCNNSNEGSA-N 2 1 364.555 3.059 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)CC1 ZINC000615672206 714543461 /nfs/dbraw/zinc/54/34/61/714543461.db2.gz NRNYLOACELFCIL-QZTJIDSGSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000615672206 714543465 /nfs/dbraw/zinc/54/34/65/714543465.db2.gz NRNYLOACELFCIL-QZTJIDSGSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000615672206 714543469 /nfs/dbraw/zinc/54/34/69/714543469.db2.gz NRNYLOACELFCIL-QZTJIDSGSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)Sc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617504816 714663281 /nfs/dbraw/zinc/66/32/81/714663281.db2.gz LKFSCABTLBGKRX-INIZCTEOSA-N 2 1 351.560 3.189 20 0 FGADMP CC(C)Sc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617504816 714663284 /nfs/dbraw/zinc/66/32/84/714663284.db2.gz LKFSCABTLBGKRX-INIZCTEOSA-N 2 1 351.560 3.189 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)C1 ZINC000617865874 714698019 /nfs/dbraw/zinc/69/80/19/714698019.db2.gz UNSMQJQJHYQZEH-CYBMUJFWSA-N 2 1 358.511 3.171 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)C1 ZINC000617865874 714698021 /nfs/dbraw/zinc/69/80/21/714698021.db2.gz UNSMQJQJHYQZEH-CYBMUJFWSA-N 2 1 358.511 3.171 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)C1 ZINC000617865874 714698023 /nfs/dbraw/zinc/69/80/23/714698023.db2.gz UNSMQJQJHYQZEH-CYBMUJFWSA-N 2 1 358.511 3.171 20 0 FGADMP C[C@@H]1CC[NH+](CC(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)C1 ZINC000617865874 714698025 /nfs/dbraw/zinc/69/80/25/714698025.db2.gz UNSMQJQJHYQZEH-CYBMUJFWSA-N 2 1 358.511 3.171 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3ccccc3s2)CC1 ZINC000619177377 714808443 /nfs/dbraw/zinc/80/84/43/714808443.db2.gz VEZWJEFFAZNCCF-UHFFFAOYSA-N 2 1 352.463 3.300 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100837 714959715 /nfs/dbraw/zinc/95/97/15/714959715.db2.gz YYLFPJPSZLSPGZ-LPHOPBHVSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100837 714959716 /nfs/dbraw/zinc/95/97/16/714959716.db2.gz YYLFPJPSZLSPGZ-LPHOPBHVSA-N 2 1 363.933 3.181 20 0 FGADMP O=C(CC[C@H]1CCC[NH2+]C1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000621661498 715015059 /nfs/dbraw/zinc/01/50/59/715015059.db2.gz SIRXHDUYOBKQPL-OAHLLOKOSA-N 2 1 350.532 3.237 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@@H]2CCCO2)CC[NH2+]1 ZINC000643525827 718038057 /nfs/dbraw/zinc/03/80/57/718038057.db2.gz SAFORWGVZOWASL-VZEFYGNVSA-N 2 1 353.304 3.399 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000623381099 715322469 /nfs/dbraw/zinc/32/24/69/715322469.db2.gz AQWCUNBGLGCVHI-ZDUSSCGKSA-N 2 1 369.303 3.183 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000623381099 715322471 /nfs/dbraw/zinc/32/24/71/715322471.db2.gz AQWCUNBGLGCVHI-ZDUSSCGKSA-N 2 1 369.303 3.183 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779394409 724411202 /nfs/dbraw/zinc/41/12/02/724411202.db2.gz WRZYEILPNKZGDN-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1F ZINC000629654863 716329850 /nfs/dbraw/zinc/32/98/50/716329850.db2.gz IXWDHXPKIZKCJO-QEJZJMRPSA-N 2 1 362.411 3.472 20 0 FGADMP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826459 716686763 /nfs/dbraw/zinc/68/67/63/716686763.db2.gz NYOMSHCKWNPACD-OLZOCXBDSA-N 2 1 356.283 3.195 20 0 FGADMP Fc1cc(Br)cnc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826459 716686764 /nfs/dbraw/zinc/68/67/64/716686764.db2.gz NYOMSHCKWNPACD-OLZOCXBDSA-N 2 1 356.283 3.195 20 0 FGADMP C[NH2+]CCOCC[N@H+](C)Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000631830136 716687933 /nfs/dbraw/zinc/68/79/33/716687933.db2.gz KXTIMAWPUOJICW-UHFFFAOYSA-N 2 1 357.376 3.028 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc(-c2ccccc2C(F)(F)F)n1 ZINC000631830136 716687937 /nfs/dbraw/zinc/68/79/37/716687937.db2.gz KXTIMAWPUOJICW-UHFFFAOYSA-N 2 1 357.376 3.028 20 0 FGADMP C[N@H+]1CC[C@H](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000636006390 717222221 /nfs/dbraw/zinc/22/22/21/717222221.db2.gz XPTQIMWFNQTSHK-CQSZACIVSA-N 2 1 365.905 3.093 20 0 FGADMP Cc1cc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)sn1 ZINC000638137690 717411676 /nfs/dbraw/zinc/41/16/76/717411676.db2.gz ZADBBZRRKSREKB-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638293859 717431617 /nfs/dbraw/zinc/43/16/17/717431617.db2.gz MDQIYJAEPAJRML-FHLIZLRMSA-N 2 1 365.880 3.167 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638293859 717431620 /nfs/dbraw/zinc/43/16/20/717431620.db2.gz MDQIYJAEPAJRML-FHLIZLRMSA-N 2 1 365.880 3.167 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000638508984 717453292 /nfs/dbraw/zinc/45/32/92/717453292.db2.gz PUBRKCFDCCWNLM-WMZOPIPTSA-N 2 1 364.555 3.160 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@H]1c1cccs1 ZINC000638670532 717475140 /nfs/dbraw/zinc/47/51/40/717475140.db2.gz HXIAEGPTTBVSKQ-CJNGLKHVSA-N 2 1 367.465 3.478 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@H]1c1cccs1 ZINC000638670532 717475145 /nfs/dbraw/zinc/47/51/45/717475145.db2.gz HXIAEGPTTBVSKQ-CJNGLKHVSA-N 2 1 367.465 3.478 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639062276 717510574 /nfs/dbraw/zinc/51/05/74/717510574.db2.gz WVJUUZMMLJTGJG-ICSRJNTNSA-N 2 1 364.555 3.159 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639062276 717510578 /nfs/dbraw/zinc/51/05/78/717510578.db2.gz WVJUUZMMLJTGJG-ICSRJNTNSA-N 2 1 364.555 3.159 20 0 FGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172028 717527852 /nfs/dbraw/zinc/52/78/52/717527852.db2.gz GMXNIBNYOWURAG-MRXNPFEDSA-N 2 1 371.356 3.176 20 0 FGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1N)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172028 717527858 /nfs/dbraw/zinc/52/78/58/717527858.db2.gz GMXNIBNYOWURAG-MRXNPFEDSA-N 2 1 371.356 3.176 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@@](O)(C(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644553372 718123377 /nfs/dbraw/zinc/12/33/77/718123377.db2.gz KWPYCQLMKVKYSI-OWLYRPNTSA-N 2 1 356.432 3.333 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645118273 718183856 /nfs/dbraw/zinc/18/38/56/718183856.db2.gz NZKIAFUPVYDDGG-SJORKVTESA-N 2 1 364.559 3.011 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000645159432 718188080 /nfs/dbraw/zinc/18/80/80/718188080.db2.gz ALONTSRWORKSLT-QZTJIDSGSA-N 2 1 366.575 3.257 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000645956752 718254801 /nfs/dbraw/zinc/25/48/01/718254801.db2.gz AJCYTDIQGNMRSP-CYBMUJFWSA-N 2 1 372.340 3.462 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1cc(Cl)cc(Cl)c1)CCO2 ZINC000646104258 718264148 /nfs/dbraw/zinc/26/41/48/718264148.db2.gz FEOPEIVJSPWJOT-UHFFFAOYSA-N 2 1 359.297 3.169 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1cc(Cl)cc(Cl)c1)CCO2 ZINC000646104258 718264149 /nfs/dbraw/zinc/26/41/49/718264149.db2.gz FEOPEIVJSPWJOT-UHFFFAOYSA-N 2 1 359.297 3.169 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(Cl)cc3)CC2)CC1 ZINC000646562207 718297650 /nfs/dbraw/zinc/29/76/50/718297650.db2.gz LCTWCPJETHDZNB-UHFFFAOYSA-N 2 1 363.933 3.153 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480145 718363542 /nfs/dbraw/zinc/36/35/42/718363542.db2.gz COUCIPZUWNPSGX-GDBMZVCRSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480145 718363543 /nfs/dbraw/zinc/36/35/43/718363543.db2.gz COUCIPZUWNPSGX-GDBMZVCRSA-N 2 1 350.528 3.390 20 0 FGADMP O=C(c1ccc(F)cc1Cl)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647882696 718382895 /nfs/dbraw/zinc/38/28/95/718382895.db2.gz QKXZZRCGAPDQAO-UHFFFAOYSA-N 2 1 367.896 3.017 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976713 718391451 /nfs/dbraw/zinc/39/14/51/718391451.db2.gz SKBQNDROFQATJE-KFWWJZLASA-N 2 1 351.441 3.003 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162341 718402220 /nfs/dbraw/zinc/40/22/20/718402220.db2.gz ZXEQWCBNNVNJRS-DOTOQJQBSA-N 2 1 355.885 3.248 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162341 718402224 /nfs/dbraw/zinc/40/22/24/718402224.db2.gz ZXEQWCBNNVNJRS-DOTOQJQBSA-N 2 1 355.885 3.248 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311555 718503316 /nfs/dbraw/zinc/50/33/16/718503316.db2.gz ZFEAMDCAHLFXLJ-JTDSTZFVSA-N 2 1 363.933 3.453 20 0 FGADMP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000649331634 718504994 /nfs/dbraw/zinc/50/49/94/718504994.db2.gz HUVDKPMEVOMCDQ-KRWDZBQOSA-N 2 1 351.922 3.328 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603278 718536882 /nfs/dbraw/zinc/53/68/82/718536882.db2.gz DSLNDMWFLBEMBQ-GOSISDBHSA-N 2 1 363.571 3.213 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603278 718536885 /nfs/dbraw/zinc/53/68/85/718536885.db2.gz DSLNDMWFLBEMBQ-GOSISDBHSA-N 2 1 363.571 3.213 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603278 718536888 /nfs/dbraw/zinc/53/68/88/718536888.db2.gz DSLNDMWFLBEMBQ-GOSISDBHSA-N 2 1 363.571 3.213 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705821 718717018 /nfs/dbraw/zinc/71/70/18/718717018.db2.gz XIOZUIBIYSHPCV-MJEQTWJJSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3)C2)C1 ZINC000650708176 718718164 /nfs/dbraw/zinc/71/81/64/718718164.db2.gz UVWRAHKPDASCDP-VBQJREDUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2sccc2Br)C1 ZINC000650723789 718721186 /nfs/dbraw/zinc/72/11/86/718721186.db2.gz UCRIPDFREITPNK-XBFCOCLRSA-N 2 1 359.333 3.371 20 0 FGADMP CC[N@@H+](CCCNC(=O)NCC[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651153077 718774270 /nfs/dbraw/zinc/77/42/70/718774270.db2.gz YJHSZKUXQDOCBW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000651153077 718774273 /nfs/dbraw/zinc/77/42/73/718774273.db2.gz YJHSZKUXQDOCBW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000651153077 718774275 /nfs/dbraw/zinc/77/42/75/718774275.db2.gz YJHSZKUXQDOCBW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000652350773 718935142 /nfs/dbraw/zinc/93/51/42/718935142.db2.gz HFCHSGMKSRYOBU-YEWDVWPNSA-N 2 1 370.324 3.231 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000652350773 718935144 /nfs/dbraw/zinc/93/51/44/718935144.db2.gz HFCHSGMKSRYOBU-YEWDVWPNSA-N 2 1 370.324 3.231 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350378 718935214 /nfs/dbraw/zinc/93/52/14/718935214.db2.gz WHHYDQMLEGPQNF-IYOUNJFTSA-N 2 1 356.869 3.076 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652354266 718935897 /nfs/dbraw/zinc/93/58/97/718935897.db2.gz RJBVKJLBEQMULB-BBRMVZONSA-N 2 1 368.319 3.227 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@@H]1CC[NH3+] ZINC000652354268 718936333 /nfs/dbraw/zinc/93/63/33/718936333.db2.gz RJBVKJLBEQMULB-CZUORRHYSA-N 2 1 368.319 3.227 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000652363414 718936744 /nfs/dbraw/zinc/93/67/44/718936744.db2.gz DIAQDZWKWCVLDL-JHJVBQTASA-N 2 1 363.449 3.331 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000652363414 718936748 /nfs/dbraw/zinc/93/67/48/718936748.db2.gz DIAQDZWKWCVLDL-JHJVBQTASA-N 2 1 363.449 3.331 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363640 718937403 /nfs/dbraw/zinc/93/74/03/718937403.db2.gz JWYONGVTZRXCBD-KYJSFNMBSA-N 2 1 356.869 3.219 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618355 719051561 /nfs/dbraw/zinc/05/15/61/719051561.db2.gz ATUUHSNRDLNPIM-VQTJNVASSA-N 2 1 365.525 3.342 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618355 719051563 /nfs/dbraw/zinc/05/15/63/719051563.db2.gz ATUUHSNRDLNPIM-VQTJNVASSA-N 2 1 365.525 3.342 20 0 FGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1F ZINC000655717900 719329286 /nfs/dbraw/zinc/32/92/86/719329286.db2.gz FTGSHDDFMKBUOA-QZTJIDSGSA-N 2 1 350.478 3.216 20 0 FGADMP Brc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655722333 719329891 /nfs/dbraw/zinc/32/98/91/719329891.db2.gz CJRANJZLSKIXKW-SFHVURJKSA-N 2 1 367.331 3.225 20 0 FGADMP c1c2ccncc2sc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000657293341 719619915 /nfs/dbraw/zinc/61/99/15/719619915.db2.gz LZIPVFQXFCUHPR-UHFFFAOYSA-N 2 1 353.491 3.418 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000657349758 719631432 /nfs/dbraw/zinc/63/14/32/719631432.db2.gz MAILNNHZOSWMIQ-UHFFFAOYSA-N 2 1 358.555 3.236 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658166590 719765063 /nfs/dbraw/zinc/76/50/63/719765063.db2.gz BOGQNOIVJIIKDL-MKXGPGLRSA-N 2 1 350.453 3.301 20 0 FGADMP O=C1Nc2ccccc2S[C@H]1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000659847721 719943507 /nfs/dbraw/zinc/94/35/07/719943507.db2.gz ZWEYVBOZKYBPBR-IBGZPJMESA-N 2 1 359.539 3.440 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660159452 719999292 /nfs/dbraw/zinc/99/92/92/719999292.db2.gz UJEQETVPKCOMSJ-WOJBJXKFSA-N 2 1 353.595 3.035 20 0 FGADMP CC1(C)CC(NC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000660284087 720024646 /nfs/dbraw/zinc/02/46/46/720024646.db2.gz STYLOFSRDBKKMN-OAHLLOKOSA-N 2 1 350.551 3.002 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312050 720027498 /nfs/dbraw/zinc/02/74/98/720027498.db2.gz NQKXRSCKJDCTSN-SJLPKXTDSA-N 2 1 364.559 3.057 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495726 720060019 /nfs/dbraw/zinc/06/00/19/720060019.db2.gz CEBKPZSJPJTYAG-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495726 720060027 /nfs/dbraw/zinc/06/00/27/720060027.db2.gz CEBKPZSJPJTYAG-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495726 720060030 /nfs/dbraw/zinc/06/00/30/720060030.db2.gz CEBKPZSJPJTYAG-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495726 720060038 /nfs/dbraw/zinc/06/00/38/720060038.db2.gz CEBKPZSJPJTYAG-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655647 720091364 /nfs/dbraw/zinc/09/13/64/720091364.db2.gz OMWJFXJMTJTDLJ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655647 720091370 /nfs/dbraw/zinc/09/13/70/720091370.db2.gz OMWJFXJMTJTDLJ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655647 720091378 /nfs/dbraw/zinc/09/13/78/720091378.db2.gz OMWJFXJMTJTDLJ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655647 720091385 /nfs/dbraw/zinc/09/13/85/720091385.db2.gz OMWJFXJMTJTDLJ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281062 720409526 /nfs/dbraw/zinc/40/95/26/720409526.db2.gz SHCIFIKUKHNRPE-HOTGVXAUSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281062 720409527 /nfs/dbraw/zinc/40/95/27/720409527.db2.gz SHCIFIKUKHNRPE-HOTGVXAUSA-N 2 1 369.278 3.246 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662283221 720409886 /nfs/dbraw/zinc/40/98/86/720409886.db2.gz SIPNNQBIFGVQFP-NVXWUHKLSA-N 2 1 358.404 3.145 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292656 720410965 /nfs/dbraw/zinc/41/09/65/720410965.db2.gz HCIJXXXCDSDJSJ-CQSZACIVSA-N 2 1 368.319 3.064 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662292656 720410968 /nfs/dbraw/zinc/41/09/68/720410968.db2.gz HCIJXXXCDSDJSJ-CQSZACIVSA-N 2 1 368.319 3.064 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297841 720412068 /nfs/dbraw/zinc/41/20/68/720412068.db2.gz SKMOOHUSCAVTJH-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297841 720412070 /nfs/dbraw/zinc/41/20/70/720412070.db2.gz SKMOOHUSCAVTJH-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000662326075 720415819 /nfs/dbraw/zinc/41/58/19/720415819.db2.gz VSFFHXALNKZYNW-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000662326075 720415820 /nfs/dbraw/zinc/41/58/20/720415820.db2.gz VSFFHXALNKZYNW-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP CC(C)[NH+](CCCNC(=O)[C@H]([NH3+])c1ccccc1Br)C(C)C ZINC000662485023 720433654 /nfs/dbraw/zinc/43/36/54/720433654.db2.gz DLSKHXZBPNJAHW-MRXNPFEDSA-N 2 1 370.335 3.074 20 0 FGADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663467096 720517771 /nfs/dbraw/zinc/51/77/71/720517771.db2.gz CTQCHEIHSWIAHQ-RHSMWYFYSA-N 2 1 351.560 3.413 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000663620729 720530918 /nfs/dbraw/zinc/53/09/18/720530918.db2.gz RLNKEVLYQLYHQL-MSOLQXFVSA-N 2 1 366.575 3.257 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000664314555 720623441 /nfs/dbraw/zinc/62/34/41/720623441.db2.gz LOWRFMAIQHSYTK-ZDUSSCGKSA-N 2 1 360.424 3.099 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000664314555 720623442 /nfs/dbraw/zinc/62/34/42/720623442.db2.gz LOWRFMAIQHSYTK-ZDUSSCGKSA-N 2 1 360.424 3.099 20 0 FGADMP Brc1cccc([C@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCOCC2)c1 ZINC000665279456 720749724 /nfs/dbraw/zinc/74/97/24/720749724.db2.gz CTQRZOQCRDTFHC-LKGZKJKYSA-N 2 1 365.315 3.258 20 0 FGADMP CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665640542 720794404 /nfs/dbraw/zinc/79/44/04/720794404.db2.gz XNOJZQWXRXAOII-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP CCN(Cc1ccc(Cl)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665640542 720794406 /nfs/dbraw/zinc/79/44/06/720794406.db2.gz XNOJZQWXRXAOII-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP Brc1cc2c(c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c1)OCC2 ZINC000666996757 721010995 /nfs/dbraw/zinc/01/09/95/721010995.db2.gz DLESHZVSTKDVAS-HNNXBMFYSA-N 2 1 351.288 3.148 20 0 FGADMP Fc1cncc(Br)c1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000667708367 721161719 /nfs/dbraw/zinc/16/17/19/721161719.db2.gz AFEUKALRTQYTTB-SJCJKPOMSA-N 2 1 368.294 3.432 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000668169270 721249656 /nfs/dbraw/zinc/24/96/56/721249656.db2.gz MDOYLMIGKCNGAQ-ZDUSSCGKSA-N 2 1 356.283 3.147 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000668169270 721249662 /nfs/dbraw/zinc/24/96/62/721249662.db2.gz MDOYLMIGKCNGAQ-ZDUSSCGKSA-N 2 1 356.283 3.147 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000674322195 721687221 /nfs/dbraw/zinc/68/72/21/721687221.db2.gz MJAQSYRUJPYGNN-UHFFFAOYSA-N 2 1 359.436 3.043 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccc(Br)cc1 ZINC000677241521 721875835 /nfs/dbraw/zinc/87/58/35/721875835.db2.gz QCFPEJOLZDZMCP-KBMXLJTQSA-N 2 1 353.304 3.433 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000678594681 721966056 /nfs/dbraw/zinc/96/60/56/721966056.db2.gz JHBPJBMWYUBQTK-VDGAXYAQSA-N 2 1 352.494 3.240 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000678747493 721975539 /nfs/dbraw/zinc/97/55/39/721975539.db2.gz YYDSCOMLGKVZRP-WMZOPIPTSA-N 2 1 350.503 3.245 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000678747493 721975540 /nfs/dbraw/zinc/97/55/40/721975540.db2.gz YYDSCOMLGKVZRP-WMZOPIPTSA-N 2 1 350.503 3.245 20 0 FGADMP C[N@H+](C[C@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583845 722391751 /nfs/dbraw/zinc/39/17/51/722391751.db2.gz GWPQCENYRKLMNX-FQEVSTJZSA-N 2 1 356.535 3.173 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583845 722391753 /nfs/dbraw/zinc/39/17/53/722391753.db2.gz GWPQCENYRKLMNX-FQEVSTJZSA-N 2 1 356.535 3.173 20 0 FGADMP C[NH+](C[C@H](O)C[N@H+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583845 722391755 /nfs/dbraw/zinc/39/17/55/722391755.db2.gz GWPQCENYRKLMNX-FQEVSTJZSA-N 2 1 356.535 3.173 20 0 FGADMP C[NH+](C[C@H](O)C[N@@H+](Cc1cccs1)C1Cc2ccccc2C1)C1CC1 ZINC000685583845 722391756 /nfs/dbraw/zinc/39/17/56/722391756.db2.gz GWPQCENYRKLMNX-FQEVSTJZSA-N 2 1 356.535 3.173 20 0 FGADMP C[C@](O)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115761 722420938 /nfs/dbraw/zinc/42/09/38/722420938.db2.gz NJDRXQRYJWWFDT-CABCVRRESA-N 2 1 366.374 3.047 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727075005 722440930 /nfs/dbraw/zinc/44/09/30/722440930.db2.gz WCAZFHUWEFYYLW-UHFFFAOYSA-N 2 1 364.603 3.079 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000741608693 722547639 /nfs/dbraw/zinc/54/76/39/722547639.db2.gz YJQRGZSSXLVQJV-QFBILLFUSA-N 2 1 360.527 3.233 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741608693 722547640 /nfs/dbraw/zinc/54/76/40/722547640.db2.gz YJQRGZSSXLVQJV-QFBILLFUSA-N 2 1 360.527 3.233 20 0 FGADMP Cc1ccc(F)c(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000743572831 722569087 /nfs/dbraw/zinc/56/90/87/722569087.db2.gz MMXMLRVYHMPVPU-UHFFFAOYSA-N 2 1 359.474 3.090 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000763222549 723323762 /nfs/dbraw/zinc/32/37/62/723323762.db2.gz PUNCLDIGPLVPIF-RHSMWYFYSA-N 2 1 367.896 3.072 20 0 FGADMP O[C@@H](C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C[NH+]1CCCC1 ZINC000796113552 723622111 /nfs/dbraw/zinc/62/21/11/723622111.db2.gz NECRTPQHXBLFMF-QGZVFWFLSA-N 2 1 356.432 3.374 20 0 FGADMP O[C@@H](C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C[NH+]1CCCC1 ZINC000796113552 723622112 /nfs/dbraw/zinc/62/21/12/723622112.db2.gz NECRTPQHXBLFMF-QGZVFWFLSA-N 2 1 356.432 3.374 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCN1C(=O)OC(C)(C)C ZINC000796358514 723634411 /nfs/dbraw/zinc/63/44/11/723634411.db2.gz GUBZQIWJWZSEMU-KBPBESRZSA-N 2 1 368.547 3.082 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000796739065 723652747 /nfs/dbraw/zinc/65/27/47/723652747.db2.gz PEOUUDRNYCNZDG-SQNIBIBYSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952955 723660994 /nfs/dbraw/zinc/66/09/94/723660994.db2.gz JUGRTGXNQMOOBR-CWQOZTLDSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944834 723977245 /nfs/dbraw/zinc/97/72/45/723977245.db2.gz DIPOIAZLNICHQQ-FXAWDEMLSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944834 723977247 /nfs/dbraw/zinc/97/72/47/723977247.db2.gz DIPOIAZLNICHQQ-FXAWDEMLSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944834 723977251 /nfs/dbraw/zinc/97/72/51/723977251.db2.gz DIPOIAZLNICHQQ-FXAWDEMLSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000799176767 723995261 /nfs/dbraw/zinc/99/52/61/723995261.db2.gz CMOXJWUHXVLWMP-QGZVFWFLSA-N 2 1 367.331 3.290 20 0 FGADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000799187560 723996737 /nfs/dbraw/zinc/99/67/37/723996737.db2.gz VAFLIDSBCQFJOA-SFHVURJKSA-N 2 1 367.921 3.133 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CC[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000801953216 724349970 /nfs/dbraw/zinc/34/99/70/724349970.db2.gz LEAFUYMAUGKLKN-SFHVURJKSA-N 2 1 353.551 3.441 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525038 725070408 /nfs/dbraw/zinc/07/04/08/725070408.db2.gz AYTASEJNIOJDCF-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563617 725073106 /nfs/dbraw/zinc/07/31/06/725073106.db2.gz PZEQNCKQRCEYAO-CVEARBPZSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563617 725073109 /nfs/dbraw/zinc/07/31/09/725073109.db2.gz PZEQNCKQRCEYAO-CVEARBPZSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596211 725250738 /nfs/dbraw/zinc/25/07/38/725250738.db2.gz WSXIBBCLJFWUSF-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596211 725250741 /nfs/dbraw/zinc/25/07/41/725250741.db2.gz WSXIBBCLJFWUSF-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596211 725250742 /nfs/dbraw/zinc/25/07/42/725250742.db2.gz WSXIBBCLJFWUSF-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938037 725276980 /nfs/dbraw/zinc/27/69/80/725276980.db2.gz QLTWXNAKBJPRSJ-APWZRJJASA-N 2 1 369.912 3.271 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938037 725276982 /nfs/dbraw/zinc/27/69/82/725276982.db2.gz QLTWXNAKBJPRSJ-APWZRJJASA-N 2 1 369.912 3.271 20 0 FGADMP CC[C@H](C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCC1 ZINC000812714989 726806161 /nfs/dbraw/zinc/80/61/61/726806161.db2.gz AZEMBMMZRSZUMJ-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1SC(C)(C)C ZINC000815574856 727084684 /nfs/dbraw/zinc/08/46/84/727084684.db2.gz FBCPFTJOTNWOFU-MRXNPFEDSA-N 2 1 363.571 3.392 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290475 727236839 /nfs/dbraw/zinc/23/68/39/727236839.db2.gz DBAKYKORICLISL-OWSLCNJRSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290475 727236840 /nfs/dbraw/zinc/23/68/40/727236840.db2.gz DBAKYKORICLISL-OWSLCNJRSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290475 727236841 /nfs/dbraw/zinc/23/68/41/727236841.db2.gz DBAKYKORICLISL-OWSLCNJRSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1Cc1c(Cl)n(C)nc1C(F)(F)F)CC[NH2+]CC2 ZINC000818340143 727308217 /nfs/dbraw/zinc/30/82/17/727308217.db2.gz IOSNDGINFUHOPM-JTQLQIEISA-N 2 1 350.816 3.056 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1c(Cl)n(C)nc1C(F)(F)F)CC[NH2+]CC2 ZINC000818340143 727308221 /nfs/dbraw/zinc/30/82/21/727308221.db2.gz IOSNDGINFUHOPM-JTQLQIEISA-N 2 1 350.816 3.056 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080495 727345595 /nfs/dbraw/zinc/34/55/95/727345595.db2.gz GJKOHGCLQJNOSI-NXHRZFHOSA-N 2 1 356.432 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080495 727345597 /nfs/dbraw/zinc/34/55/97/727345597.db2.gz GJKOHGCLQJNOSI-NXHRZFHOSA-N 2 1 356.432 3.449 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085721 727345783 /nfs/dbraw/zinc/34/57/83/727345783.db2.gz WDHHSVWCEJYLAN-ACJLOTCBSA-N 2 1 373.324 3.117 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265034 727362583 /nfs/dbraw/zinc/36/25/83/727362583.db2.gz LAQSBVIBSAOCAJ-CXAGYDPISA-N 2 1 361.313 3.117 20 0 FGADMP Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000871785078 735546085 /nfs/dbraw/zinc/54/60/85/735546085.db2.gz PZBQCZVEFWTVFG-FGWVZKOKSA-N 2 1 362.421 3.342 20 0 FGADMP Cc1nc(C(F)(F)F)c(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000871785078 735546088 /nfs/dbraw/zinc/54/60/88/735546088.db2.gz PZBQCZVEFWTVFG-FGWVZKOKSA-N 2 1 362.421 3.342 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823465422 729283066 /nfs/dbraw/zinc/28/30/66/729283066.db2.gz YBRDNZXHMOTDCC-ROUUACIJSA-N 2 1 353.551 3.201 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCc3ccc(F)cc3Cl)cc2)C1 ZINC000826943702 729419568 /nfs/dbraw/zinc/41/95/68/729419568.db2.gz YOLDMKFNKYCTDR-IBGZPJMESA-N 2 1 362.876 3.378 20 0 FGADMP CC1(C)[C@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000829973737 729526656 /nfs/dbraw/zinc/52/66/56/729526656.db2.gz KJTLKZSUHGFASP-QZTJIDSGSA-N 2 1 366.933 3.030 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832680614 729727108 /nfs/dbraw/zinc/72/71/08/729727108.db2.gz UDAOCGBXXIFOHN-QGZVFWFLSA-N 2 1 366.303 3.400 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000832680614 729727112 /nfs/dbraw/zinc/72/71/12/729727112.db2.gz UDAOCGBXXIFOHN-QGZVFWFLSA-N 2 1 366.303 3.400 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513350 729808951 /nfs/dbraw/zinc/80/89/51/729808951.db2.gz KYBYIXLCGXZHLA-XSLAGTTESA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810120 730177518 /nfs/dbraw/zinc/17/75/18/730177518.db2.gz QBVRVWDTVQKFHU-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810345 730177655 /nfs/dbraw/zinc/17/76/55/730177655.db2.gz RWAWHJQBEIXLAU-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022112 730204168 /nfs/dbraw/zinc/20/41/68/730204168.db2.gz KLPNTNJKPZJRCJ-CKEIUWERSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022112 730204170 /nfs/dbraw/zinc/20/41/70/730204170.db2.gz KLPNTNJKPZJRCJ-CKEIUWERSA-N 2 1 353.304 3.211 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842668236 730527382 /nfs/dbraw/zinc/52/73/82/730527382.db2.gz LHGLRDBOUCVCST-BRSBDYLESA-N 2 1 353.551 3.342 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843120091 730588155 /nfs/dbraw/zinc/58/81/55/730588155.db2.gz VMQFHILUVAJFIC-UHFFFAOYSA-N 2 1 358.917 3.469 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C1CCC([NH3+])CC1 ZINC000843355434 730609845 /nfs/dbraw/zinc/60/98/45/730609845.db2.gz OLPNNTNKXDNZAR-UHFFFAOYSA-N 2 1 372.282 3.119 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000843358995 730610295 /nfs/dbraw/zinc/61/02/95/730610295.db2.gz ATCXXWJNKWPDMD-UONOGXRCSA-N 2 1 364.515 3.193 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCCC[C@H]2C[C@@H](O)c2cccs2)n1 ZINC000843358995 730610304 /nfs/dbraw/zinc/61/03/04/730610304.db2.gz ATCXXWJNKWPDMD-UONOGXRCSA-N 2 1 364.515 3.193 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000843364820 730611322 /nfs/dbraw/zinc/61/13/22/730611322.db2.gz WTSLBFSIBZHQOR-UHFFFAOYSA-N 2 1 350.825 3.105 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000843364820 730611325 /nfs/dbraw/zinc/61/13/25/730611325.db2.gz WTSLBFSIBZHQOR-UHFFFAOYSA-N 2 1 350.825 3.105 20 0 FGADMP [NH3+]CCCCCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000846218851 730937342 /nfs/dbraw/zinc/93/73/42/730937342.db2.gz YWWWMWSHQFJNSS-MRXNPFEDSA-N 2 1 350.482 3.178 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CN(C3CC3)C(=O)O2)CC1 ZINC000848571133 731183756 /nfs/dbraw/zinc/18/37/56/731183756.db2.gz DIRGNDALFVHNNO-KRWDZBQOSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083760 731227217 /nfs/dbraw/zinc/22/72/17/731227217.db2.gz HRZHLUURMBSRIW-CYBMUJFWSA-N 2 1 358.408 3.499 20 0 FGADMP CCOC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000850467397 731359736 /nfs/dbraw/zinc/35/97/36/731359736.db2.gz VKXLGGCBDUDERW-TVPLGVNVSA-N 2 1 351.535 3.430 20 0 FGADMP Cc1nccn1CCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852603873 731608124 /nfs/dbraw/zinc/60/81/24/731608124.db2.gz MDGDGTOJDWUHOU-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852603873 731608130 /nfs/dbraw/zinc/60/81/30/731608130.db2.gz MDGDGTOJDWUHOU-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000852603873 731608133 /nfs/dbraw/zinc/60/81/33/731608133.db2.gz MDGDGTOJDWUHOU-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)nc1 ZINC000852762578 731631652 /nfs/dbraw/zinc/63/16/52/731631652.db2.gz PJCANDSLFZUSBR-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1ccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)nc1 ZINC000852762578 731631656 /nfs/dbraw/zinc/63/16/56/731631656.db2.gz PJCANDSLFZUSBR-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP C[C@@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214294 732291082 /nfs/dbraw/zinc/29/10/82/732291082.db2.gz IMPXAJKTVJZBAD-AWEZNQCLSA-N 2 1 360.889 3.256 20 0 FGADMP C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214294 732291086 /nfs/dbraw/zinc/29/10/86/732291086.db2.gz IMPXAJKTVJZBAD-AWEZNQCLSA-N 2 1 360.889 3.256 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859962276 732424574 /nfs/dbraw/zinc/42/45/74/732424574.db2.gz NJYKEXQDOUGRDS-UWWQBHOKSA-N 2 1 367.331 3.084 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859962276 732424580 /nfs/dbraw/zinc/42/45/80/732424580.db2.gz NJYKEXQDOUGRDS-UWWQBHOKSA-N 2 1 367.331 3.084 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866549366 733365481 /nfs/dbraw/zinc/36/54/81/733365481.db2.gz MBFLNOAIBGVGJB-TXTZMMAHSA-N 2 1 351.535 3.237 20 0 FGADMP [NH3+][C@H](C[C@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157438 735597186 /nfs/dbraw/zinc/59/71/86/735597186.db2.gz ONOOJIMITOWZID-TZMCWYRMSA-N 2 1 360.424 3.294 20 0 FGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157438 735597189 /nfs/dbraw/zinc/59/71/89/735597189.db2.gz ONOOJIMITOWZID-TZMCWYRMSA-N 2 1 360.424 3.294 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1Br ZINC000876888166 736157854 /nfs/dbraw/zinc/15/78/54/736157854.db2.gz ANNHABSLZXTAAS-DMTLFAOVSA-N 2 1 366.303 3.005 20 0 FGADMP COCC[N@H+](Cc1ccc(OC)c(OC)c1Cl)CC1CC[NH+](C)CC1 ZINC000877665514 736702082 /nfs/dbraw/zinc/70/20/82/736702082.db2.gz YDQWHSDGGGCTKZ-UHFFFAOYSA-N 2 1 370.921 3.147 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743215 736713486 /nfs/dbraw/zinc/71/34/86/736713486.db2.gz ULYDCTBXBXJTTP-ZJPYXAASSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743215 736713490 /nfs/dbraw/zinc/71/34/90/736713490.db2.gz ULYDCTBXBXJTTP-ZJPYXAASSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743215 736713496 /nfs/dbraw/zinc/71/34/96/736713496.db2.gz ULYDCTBXBXJTTP-ZJPYXAASSA-N 2 1 351.535 3.048 20 0 FGADMP CC(C)(C)S(=O)(=O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000877959616 736750376 /nfs/dbraw/zinc/75/03/76/736750376.db2.gz OVYGJIXMMCNLFO-UHFFFAOYSA-N 2 1 358.592 3.178 20 0 FGADMP C([C@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878048588 736763383 /nfs/dbraw/zinc/76/33/83/736763383.db2.gz COKASMNBERZUFO-WOJBJXKFSA-N 2 1 350.547 3.160 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107487 736772730 /nfs/dbraw/zinc/77/27/30/736772730.db2.gz PUMWGWUYJWNEEI-AABGKKOBSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107487 736772735 /nfs/dbraw/zinc/77/27/35/736772735.db2.gz PUMWGWUYJWNEEI-AABGKKOBSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107487 736772739 /nfs/dbraw/zinc/77/27/39/736772739.db2.gz PUMWGWUYJWNEEI-AABGKKOBSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107487 736772744 /nfs/dbraw/zinc/77/27/44/736772744.db2.gz PUMWGWUYJWNEEI-AABGKKOBSA-N 2 1 350.547 3.159 20 0 FGADMP CCOC(=O)c1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000879702465 737035240 /nfs/dbraw/zinc/03/52/40/737035240.db2.gz MARPXOPFOCZLNW-UHFFFAOYSA-N 2 1 353.532 3.120 20 0 FGADMP CCOC(=O)c1csc(CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000880263246 737143925 /nfs/dbraw/zinc/14/39/25/737143925.db2.gz HTZMATLIYDMKBR-MRXNPFEDSA-N 2 1 365.543 3.059 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000880472272 737178247 /nfs/dbraw/zinc/17/82/47/737178247.db2.gz IBQJSKOJAKXSEF-UHFFFAOYSA-N 2 1 353.869 3.368 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)cc1 ZINC000884039260 737627017 /nfs/dbraw/zinc/62/70/17/737627017.db2.gz JCLOVGNFQOPFOX-BZNIZROVSA-N 2 1 351.372 3.041 20 0 FGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956821 739202781 /nfs/dbraw/zinc/20/27/81/739202781.db2.gz ZKDHUDRGVABMBP-QZTJIDSGSA-N 2 1 364.555 3.278 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956821 739202787 /nfs/dbraw/zinc/20/27/87/739202787.db2.gz ZKDHUDRGVABMBP-QZTJIDSGSA-N 2 1 364.555 3.278 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000886548055 739266468 /nfs/dbraw/zinc/26/64/68/739266468.db2.gz WOGVGBMXKIZIHA-WHSGIHJSSA-N 3 1 351.579 3.263 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C[C@@H]1C(F)(F)F ZINC000892624824 740024939 /nfs/dbraw/zinc/02/49/39/740024939.db2.gz WVUTZCZWPVOURT-KFWWJZLASA-N 2 1 361.408 3.082 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1OCC(F)F ZINC000894096842 742238527 /nfs/dbraw/zinc/23/85/27/742238527.db2.gz YMBYLGMQWGVBJT-NUJGCVRESA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1OCC(F)F ZINC000894096842 742238531 /nfs/dbraw/zinc/23/85/31/742238531.db2.gz YMBYLGMQWGVBJT-NUJGCVRESA-N 2 1 354.441 3.014 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C(F)(F)F ZINC000894742259 742326076 /nfs/dbraw/zinc/32/60/76/742326076.db2.gz AVDDFEWYNFDRJD-AGZRXCAESA-N 2 1 362.436 3.112 20 0 FGADMP CCO/C=C/[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000895709596 742444235 /nfs/dbraw/zinc/44/42/35/742444235.db2.gz HBBGEIRDNOKAQY-RTGRKSDTSA-N 2 1 364.452 3.217 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2ccccn2)C2CC2)c2cccs2)CC1 ZINC000903055287 743800487 /nfs/dbraw/zinc/80/04/87/743800487.db2.gz BBULYXJXDDOBCM-ICSRJNTNSA-N 2 1 356.539 3.173 20 0 FGADMP CC[NH+]1CCC(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC000903272543 743833177 /nfs/dbraw/zinc/83/31/77/743833177.db2.gz VNRJGWRBESSCQB-QZTJIDSGSA-N 2 1 355.448 3.123 20 0 FGADMP CC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C(F)(F)F)CC1 ZINC000903272543 743833181 /nfs/dbraw/zinc/83/31/81/743833181.db2.gz VNRJGWRBESSCQB-QZTJIDSGSA-N 2 1 355.448 3.123 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cc(Cl)cc4ccccc43)C2)nn1 ZINC000903458712 743853106 /nfs/dbraw/zinc/85/31/06/743853106.db2.gz HUBUARJDRAXRJZ-SFHVURJKSA-N 2 1 355.873 3.381 20 0 FGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734475 743880046 /nfs/dbraw/zinc/88/00/46/743880046.db2.gz RLSMFQVUXIQGBG-PNYFIKQUSA-N 2 1 364.555 3.185 20 0 FGADMP Clc1ccccc1OC[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903757108 743881184 /nfs/dbraw/zinc/88/11/84/743881184.db2.gz XWZDTNMAKURIJS-FUHIMQAGSA-N 2 1 364.917 3.199 20 0 FGADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1 ZINC000904420151 743953375 /nfs/dbraw/zinc/95/33/75/743953375.db2.gz DITPMGNSEVWCRD-UONOGXRCSA-N 2 1 350.388 3.137 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C/C=C/Cl)CC3)CC[N@H+]1C ZINC000957552398 762641182 /nfs/dbraw/zinc/64/11/82/762641182.db2.gz NFLAZEVMFSYZSK-XVSUHRFUSA-N 2 1 367.965 3.174 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3c(Cl)n[nH]c3C3CC3)CC2)nc(C)[nH+]1 ZINC000921819454 758802522 /nfs/dbraw/zinc/80/25/22/758802522.db2.gz ZSRGJCUVFGBAGY-UHFFFAOYSA-N 2 1 360.893 3.106 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391099 758911349 /nfs/dbraw/zinc/91/13/49/758911349.db2.gz RZQKONQSBZDYRO-GNSPCKGOSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392064 758912411 /nfs/dbraw/zinc/91/24/11/758912411.db2.gz AZFZXNTVAQEXHY-SOAMZJECSA-N 2 1 363.571 3.370 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393604 758912954 /nfs/dbraw/zinc/91/29/54/758912954.db2.gz MLGTYMRYLFNWBA-MTNOOBJLSA-N 2 1 351.922 3.003 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCOCC3)s1 ZINC000922536437 758945515 /nfs/dbraw/zinc/94/55/15/758945515.db2.gz COWDTHXSHWUODF-HZPDHXFCSA-N 2 1 367.559 3.047 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373720 759107973 /nfs/dbraw/zinc/10/79/73/759107973.db2.gz PBSREWXKAKRJRK-XJKSGUPXSA-N 2 1 361.313 3.230 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000924965923 759424527 /nfs/dbraw/zinc/42/45/27/759424527.db2.gz QITFTORYGBQSOJ-OLZOCXBDSA-N 2 1 362.358 3.493 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000924965923 759424531 /nfs/dbraw/zinc/42/45/31/759424531.db2.gz QITFTORYGBQSOJ-OLZOCXBDSA-N 2 1 362.358 3.493 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(F)c1 ZINC000925784298 759538326 /nfs/dbraw/zinc/53/83/26/759538326.db2.gz QKHRMZMETGQFCY-MWLCHTKSSA-N 2 1 351.210 3.484 20 0 FGADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925628678 759514902 /nfs/dbraw/zinc/51/49/02/759514902.db2.gz GUDOMRKDMVYNSB-ZTFGCOKTSA-N 2 1 351.897 3.346 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925655108 759518652 /nfs/dbraw/zinc/51/86/52/759518652.db2.gz PTYOIYYBOBHSET-JKSUJKDBSA-N 2 1 357.420 3.281 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OC(F)F ZINC000925779409 759535786 /nfs/dbraw/zinc/53/57/86/759535786.db2.gz NBAOESPELREVAR-ZYHUDNBSSA-N 2 1 350.356 3.192 20 0 FGADMP CCCC[N@@H+](CC1CCS(=O)(=O)CC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034732 760760837 /nfs/dbraw/zinc/76/08/37/760760837.db2.gz WJSGNROWPODXOE-UHFFFAOYSA-N 2 1 358.592 3.223 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933741126 761466982 /nfs/dbraw/zinc/46/69/82/761466982.db2.gz VNCLSJWSOJWHEJ-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933741126 761466986 /nfs/dbraw/zinc/46/69/86/761466986.db2.gz VNCLSJWSOJWHEJ-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933741126 761466991 /nfs/dbraw/zinc/46/69/91/761466991.db2.gz VNCLSJWSOJWHEJ-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@]2(C)C1 ZINC000933741126 761466995 /nfs/dbraw/zinc/46/69/95/761466995.db2.gz VNCLSJWSOJWHEJ-PXAZEXFGSA-N 2 1 356.297 3.206 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000960008377 762730775 /nfs/dbraw/zinc/73/07/75/762730775.db2.gz OCTRFFYXHGAUJW-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3sccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995827313 764970396 /nfs/dbraw/zinc/97/03/96/764970396.db2.gz UUBROJWDSOFDKW-IOASZLSFSA-N 2 1 369.962 3.068 20 0 FGADMP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC000997787385 765082529 /nfs/dbraw/zinc/08/25/29/765082529.db2.gz YRYGNNMZRJOGGZ-DNVCBOLYSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3sccc3Cl)CC2)CC[N@@H+]1C ZINC001002860015 765350038 /nfs/dbraw/zinc/35/00/38/765350038.db2.gz WJJFICUMEYLAEE-GOEBONIOSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001002860015 765350045 /nfs/dbraw/zinc/35/00/45/765350045.db2.gz WJJFICUMEYLAEE-GOEBONIOSA-N 2 1 369.962 3.212 20 0 FGADMP Cc1cc(Cl)ccc1CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375478 765590276 /nfs/dbraw/zinc/59/02/76/765590276.db2.gz DKULLWSFFVYUII-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375478 765590288 /nfs/dbraw/zinc/59/02/88/765590288.db2.gz DKULLWSFFVYUII-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375478 765590300 /nfs/dbraw/zinc/59/03/00/765590300.db2.gz DKULLWSFFVYUII-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375478 765590310 /nfs/dbraw/zinc/59/03/10/765590310.db2.gz DKULLWSFFVYUII-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375478 765590318 /nfs/dbraw/zinc/59/03/18/765590318.db2.gz DKULLWSFFVYUII-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001034215214 766233108 /nfs/dbraw/zinc/23/31/08/766233108.db2.gz XIPDBPVUIOPPCM-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001034215214 766233109 /nfs/dbraw/zinc/23/31/09/766233109.db2.gz XIPDBPVUIOPPCM-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001034215214 766233115 /nfs/dbraw/zinc/23/31/15/766233115.db2.gz XIPDBPVUIOPPCM-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219023 766234220 /nfs/dbraw/zinc/23/42/20/766234220.db2.gz JPRWPIKGWGAVQK-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219023 766234223 /nfs/dbraw/zinc/23/42/23/766234223.db2.gz JPRWPIKGWGAVQK-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219023 766234229 /nfs/dbraw/zinc/23/42/29/766234229.db2.gz JPRWPIKGWGAVQK-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[NH+]3Cc2ccsc2)CC[N@H+]1C ZINC001049483491 766786665 /nfs/dbraw/zinc/78/66/65/766786665.db2.gz XRYXAXXHBGXZRD-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483491 766786673 /nfs/dbraw/zinc/78/66/73/766786673.db2.gz XRYXAXXHBGXZRD-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@H]2CC[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483491 766786681 /nfs/dbraw/zinc/78/66/81/766786681.db2.gz XRYXAXXHBGXZRD-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001052392182 766900482 /nfs/dbraw/zinc/90/04/82/766900482.db2.gz VGCIJTWOPSSTNW-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC001052392182 766900487 /nfs/dbraw/zinc/90/04/87/766900487.db2.gz VGCIJTWOPSSTNW-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC001052392182 766900488 /nfs/dbraw/zinc/90/04/88/766900488.db2.gz VGCIJTWOPSSTNW-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056154015 257348735 /nfs/dbraw/zinc/34/87/35/257348735.db2.gz OPWPAFDTEQESSJ-UTKZUKDTSA-N 2 1 351.494 3.235 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056154015 257348736 /nfs/dbraw/zinc/34/87/36/257348736.db2.gz OPWPAFDTEQESSJ-UTKZUKDTSA-N 2 1 351.494 3.235 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565906 257374834 /nfs/dbraw/zinc/37/48/34/257374834.db2.gz IUSSTQNWTAPHLS-DHIUTWEWSA-N 2 1 371.569 3.228 20 0 FGADMP C[N@H+]1CCCC12CCN([C@@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000540299329 503731421 /nfs/dbraw/zinc/73/14/21/503731421.db2.gz ZMBCCTXKPKWMDJ-HXUWFJFHSA-N 2 1 355.526 3.300 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000576892320 505617895 /nfs/dbraw/zinc/61/78/95/505617895.db2.gz CLAJRMQRQNRVDM-MOPGFXCFSA-N 2 1 355.482 3.133 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000576892320 505617898 /nfs/dbraw/zinc/61/78/98/505617898.db2.gz CLAJRMQRQNRVDM-MOPGFXCFSA-N 2 1 355.482 3.133 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Cl)cc1 ZINC000573789220 505620913 /nfs/dbraw/zinc/62/09/13/505620913.db2.gz ULHQFNRJDKSYQI-LJQANCHMSA-N 2 1 373.932 3.369 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000571047273 505640865 /nfs/dbraw/zinc/64/08/65/505640865.db2.gz PGNYRDQITYSYCO-QLFBSQMISA-N 2 1 369.431 3.354 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000579946935 505651354 /nfs/dbraw/zinc/65/13/54/505651354.db2.gz HUVGXHYILICZDB-BBRMVZONSA-N 2 1 355.404 3.040 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568277467 505657399 /nfs/dbraw/zinc/65/73/99/505657399.db2.gz XARGQYMKABRMMN-ZDFPQIBNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](N2CCCC2=O)C1 ZINC000568277467 505657404 /nfs/dbraw/zinc/65/74/04/505657404.db2.gz XARGQYMKABRMMN-ZDFPQIBNSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573945447 505658054 /nfs/dbraw/zinc/65/80/54/505658054.db2.gz XCCUTAJMMRMBFV-RXVVDRJESA-N 2 1 373.541 3.141 20 0 FGADMP CCOc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000047970103 493766914 /nfs/dbraw/zinc/76/69/14/493766914.db2.gz BRNFVLLCYVFZMX-UHFFFAOYSA-N 2 1 370.497 3.443 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299042 493792282 /nfs/dbraw/zinc/79/22/82/493792282.db2.gz CBEPQPZEVLCNLK-UHFFFAOYSA-N 2 1 369.509 3.170 20 0 FGADMP CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068299042 493792286 /nfs/dbraw/zinc/79/22/86/493792286.db2.gz CBEPQPZEVLCNLK-UHFFFAOYSA-N 2 1 369.509 3.170 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000048220322 493804481 /nfs/dbraw/zinc/80/44/81/493804481.db2.gz OVMUAIFOAIDAOL-MOPGFXCFSA-N 2 1 372.557 3.345 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060335612 493923539 /nfs/dbraw/zinc/92/35/39/493923539.db2.gz DLHWEWHTSZXNFR-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000060335612 493923540 /nfs/dbraw/zinc/92/35/40/493923540.db2.gz DLHWEWHTSZXNFR-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP Fc1cccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)co2)c1 ZINC000051958103 493994287 /nfs/dbraw/zinc/99/42/87/493994287.db2.gz JREJSJQCVGVNFI-UHFFFAOYSA-N 2 1 359.445 3.025 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000062505747 494015224 /nfs/dbraw/zinc/01/52/24/494015224.db2.gz VAEDPXMFIMSOFK-QZTJIDSGSA-N 2 1 360.546 3.200 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000052289501 494017094 /nfs/dbraw/zinc/01/70/94/494017094.db2.gz WHHCKXCUVRQHSG-KRWDZBQOSA-N 2 1 369.513 3.065 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000052289501 494017099 /nfs/dbraw/zinc/01/70/99/494017099.db2.gz WHHCKXCUVRQHSG-KRWDZBQOSA-N 2 1 369.513 3.065 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2[nH]ccc21 ZINC000077203210 494032476 /nfs/dbraw/zinc/03/24/76/494032476.db2.gz VSQQVUVQWWPQQQ-MRXNPFEDSA-N 2 1 357.502 3.048 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000063407717 494051718 /nfs/dbraw/zinc/05/17/18/494051718.db2.gz LPSSWWKOFRGIMM-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000063645251 494073712 /nfs/dbraw/zinc/07/37/12/494073712.db2.gz PPNBDJSWKKNGCH-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)c1 ZINC000064227067 494107361 /nfs/dbraw/zinc/10/73/61/494107361.db2.gz QOCNHXFTCWHAKQ-MSOLQXFVSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000064227067 494107364 /nfs/dbraw/zinc/10/73/64/494107364.db2.gz QOCNHXFTCWHAKQ-MSOLQXFVSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000064227067 494107367 /nfs/dbraw/zinc/10/73/67/494107367.db2.gz QOCNHXFTCWHAKQ-MSOLQXFVSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000077694465 494147087 /nfs/dbraw/zinc/14/70/87/494147087.db2.gz TYWIWWYJAQUWGL-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000077694465 494147089 /nfs/dbraw/zinc/14/70/89/494147089.db2.gz TYWIWWYJAQUWGL-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000077694465 494147091 /nfs/dbraw/zinc/14/70/91/494147091.db2.gz TYWIWWYJAQUWGL-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCc3sccc3C2)cc1 ZINC000054220381 494207484 /nfs/dbraw/zinc/20/74/84/494207484.db2.gz NLGOURDEIOEMLX-UHFFFAOYSA-N 2 1 371.550 3.378 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCc3sccc3C2)cc1 ZINC000054220381 494207487 /nfs/dbraw/zinc/20/74/87/494207487.db2.gz NLGOURDEIOEMLX-UHFFFAOYSA-N 2 1 371.550 3.378 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000065521971 494208737 /nfs/dbraw/zinc/20/87/37/494208737.db2.gz IWFIVOHKZYDBIO-NQIIRXRSSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000054698591 494263244 /nfs/dbraw/zinc/26/32/44/494263244.db2.gz YCGOATWCZPLERQ-NQIIRXRSSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000066185520 494285823 /nfs/dbraw/zinc/28/58/23/494285823.db2.gz IGCFJKPFZCJTFH-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000073075270 494317774 /nfs/dbraw/zinc/31/77/74/494317774.db2.gz IMYBDXZPLNSCLZ-UHFFFAOYSA-N 2 1 368.525 3.425 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073102155 494322231 /nfs/dbraw/zinc/32/22/31/494322231.db2.gz NBIGALAKFYWPFG-FQEVSTJZSA-N 2 1 368.525 3.425 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000073102155 494322234 /nfs/dbraw/zinc/32/22/34/494322234.db2.gz NBIGALAKFYWPFG-FQEVSTJZSA-N 2 1 368.525 3.425 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073225153 494342452 /nfs/dbraw/zinc/34/24/52/494342452.db2.gz GKWGJANDUKSMHR-HXUWFJFHSA-N 2 1 372.557 3.377 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(I)cc1 ZINC000044533229 494363274 /nfs/dbraw/zinc/36/32/74/494363274.db2.gz OIWIAFUWDQAIGQ-OLZOCXBDSA-N 2 1 358.267 3.284 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000073726234 494420006 /nfs/dbraw/zinc/42/00/06/494420006.db2.gz PPVYTMPUZWDIRD-LJQANCHMSA-N 2 1 354.498 3.177 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000073726234 494420011 /nfs/dbraw/zinc/42/00/11/494420011.db2.gz PPVYTMPUZWDIRD-LJQANCHMSA-N 2 1 354.498 3.177 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004335 494426814 /nfs/dbraw/zinc/42/68/14/494426814.db2.gz WKVDBMAGPKFOPU-APWZRJJASA-N 2 1 370.497 3.101 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004335 494426818 /nfs/dbraw/zinc/42/68/18/494426818.db2.gz WKVDBMAGPKFOPU-APWZRJJASA-N 2 1 370.497 3.101 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082448 494438311 /nfs/dbraw/zinc/43/83/11/494438311.db2.gz OCLJWGWWIXYNAJ-MFKMUULPSA-N 2 1 351.800 3.062 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCC[C@@H](C)C1 ZINC000045789883 494463147 /nfs/dbraw/zinc/46/31/47/494463147.db2.gz OKCYFCOYIJACNX-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000045789883 494463153 /nfs/dbraw/zinc/46/31/53/494463153.db2.gz OKCYFCOYIJACNX-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000045789883 494463159 /nfs/dbraw/zinc/46/31/59/494463159.db2.gz OKCYFCOYIJACNX-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090523997 494478235 /nfs/dbraw/zinc/47/82/35/494478235.db2.gz YTMAKLPQQXFEJQ-RVHYNSKXSA-N 2 1 359.514 3.064 20 0 FGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090524002 494478528 /nfs/dbraw/zinc/47/85/28/494478528.db2.gz YTMAKLPQQXFEJQ-LPTQZCDUSA-N 2 1 359.514 3.064 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@]4(CCSC4)C3)CC2)cc1 ZINC000090542736 494480545 /nfs/dbraw/zinc/48/05/45/494480545.db2.gz WZUPHWVVZIQRGN-RTWAWAEBSA-N 2 1 360.567 3.338 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC000074169263 494491668 /nfs/dbraw/zinc/49/16/68/494491668.db2.gz WVNCGYIYXICDHO-OALUTQOASA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000074169263 494491672 /nfs/dbraw/zinc/49/16/72/494491672.db2.gz WVNCGYIYXICDHO-OALUTQOASA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC000074169263 494491675 /nfs/dbraw/zinc/49/16/75/494491675.db2.gz WVNCGYIYXICDHO-OALUTQOASA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000079852419 494535763 /nfs/dbraw/zinc/53/57/63/494535763.db2.gz JTBDAXVVNCBDRY-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000079945229 494553973 /nfs/dbraw/zinc/55/39/73/494553973.db2.gz SNBDIYPDDBKEGH-RXVVDRJESA-N 2 1 357.542 3.276 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4ncccc43)CC2)CC1 ZINC000571413856 505728646 /nfs/dbraw/zinc/72/86/46/505728646.db2.gz ATOQCAYZJIIFJM-UHFFFAOYSA-N 2 1 366.509 3.370 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080166303 494621118 /nfs/dbraw/zinc/62/11/18/494621118.db2.gz UKGPJZURCCXTCV-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000080166303 494621125 /nfs/dbraw/zinc/62/11/25/494621125.db2.gz UKGPJZURCCXTCV-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000080166303 494621135 /nfs/dbraw/zinc/62/11/35/494621135.db2.gz UKGPJZURCCXTCV-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115789801 494621381 /nfs/dbraw/zinc/62/13/81/494621381.db2.gz PNCRFDZDRROVNU-GOSISDBHSA-N 2 1 360.546 3.012 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796601 494625057 /nfs/dbraw/zinc/62/50/57/494625057.db2.gz VYNCROKJFJGMBH-WMZOPIPTSA-N 2 1 366.575 3.114 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000080217318 494642573 /nfs/dbraw/zinc/64/25/73/494642573.db2.gz JYEBDKRWLIAUJQ-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000075007400 494671907 /nfs/dbraw/zinc/67/19/07/494671907.db2.gz UXHGJRHTFXLLFZ-UHFFFAOYSA-N 2 1 364.515 3.121 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)C[C@H](C)O1 ZINC000092587030 494677307 /nfs/dbraw/zinc/67/73/07/494677307.db2.gz SENHHSOEVHIBDA-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080610602 494745229 /nfs/dbraw/zinc/74/52/29/494745229.db2.gz BLUWDRXZEXYDIV-MJGOQNOKSA-N 2 1 359.539 3.048 20 0 FGADMP C[N@H+](CCC(=O)N1CCCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821003 494763927 /nfs/dbraw/zinc/76/39/27/494763927.db2.gz XDFZZNLTINMGSZ-UHFFFAOYSA-N 2 1 358.530 3.023 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1cccc(F)c1 ZINC000092821101 494764255 /nfs/dbraw/zinc/76/42/55/494764255.db2.gz WZKWWJKFAPWTSP-UHFFFAOYSA-N 2 1 370.472 3.398 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000092066961 494773802 /nfs/dbraw/zinc/77/38/02/494773802.db2.gz SLNCIQQNOGIMGK-YRISNDGFSA-N 2 1 372.509 3.076 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000092066961 494773806 /nfs/dbraw/zinc/77/38/06/494773806.db2.gz SLNCIQQNOGIMGK-YRISNDGFSA-N 2 1 372.509 3.076 20 0 FGADMP COC(=O)[C@H](C)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000092066961 494773812 /nfs/dbraw/zinc/77/38/12/494773812.db2.gz SLNCIQQNOGIMGK-YRISNDGFSA-N 2 1 372.509 3.076 20 0 FGADMP Cc1ccc([C@@H](CNc2cncc(-n3cc[nH+]c3C)n2)[NH+]2CCCC2)o1 ZINC000092893881 494784304 /nfs/dbraw/zinc/78/43/04/494784304.db2.gz PYYXYWUQBNEHJZ-MRXNPFEDSA-N 2 1 352.442 3.121 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435095 494786941 /nfs/dbraw/zinc/78/69/41/494786941.db2.gz AHSQFHHVUJLJDO-GHTZIAJQSA-N 2 1 372.557 3.386 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000092165834 494802614 /nfs/dbraw/zinc/80/26/14/494802614.db2.gz UJOMICFGBSRRJW-UHFFFAOYSA-N 2 1 358.486 3.263 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)CC1 ZINC000092165834 494802618 /nfs/dbraw/zinc/80/26/18/494802618.db2.gz UJOMICFGBSRRJW-UHFFFAOYSA-N 2 1 358.486 3.263 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000126733633 494828401 /nfs/dbraw/zinc/82/84/01/494828401.db2.gz NINIOWONQMADLR-SFHVURJKSA-N 2 1 353.510 3.293 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133424 494829818 /nfs/dbraw/zinc/82/98/18/494829818.db2.gz KDUJRAHRYKZMHX-LJQANCHMSA-N 2 1 370.566 3.330 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000109122072 494834850 /nfs/dbraw/zinc/83/48/50/494834850.db2.gz ZUHKHAMFPNJSNU-ZVDOUQERSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000109122072 494834854 /nfs/dbraw/zinc/83/48/54/494834854.db2.gz ZUHKHAMFPNJSNU-ZVDOUQERSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000109122072 494834860 /nfs/dbraw/zinc/83/48/60/494834860.db2.gz ZUHKHAMFPNJSNU-ZVDOUQERSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000577529616 505745948 /nfs/dbraw/zinc/74/59/48/505745948.db2.gz VVKKRZINDWQVQI-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP c1ncn(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543004 505748413 /nfs/dbraw/zinc/74/84/13/505748413.db2.gz TYTBAPBLJOCNTD-HSZRJFAPSA-N 2 1 373.504 3.365 20 0 FGADMP c1ncn(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543004 505748415 /nfs/dbraw/zinc/74/84/15/505748415.db2.gz TYTBAPBLJOCNTD-HSZRJFAPSA-N 2 1 373.504 3.365 20 0 FGADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543004 505748418 /nfs/dbraw/zinc/74/84/18/505748418.db2.gz TYTBAPBLJOCNTD-HSZRJFAPSA-N 2 1 373.504 3.365 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC1([NH+]3CCCCC3)CCCCC1)CC2 ZINC000574329940 505748593 /nfs/dbraw/zinc/74/85/93/505748593.db2.gz IZOZLXROMLCFJB-SFHVURJKSA-N 2 1 358.530 3.059 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639692 494907338 /nfs/dbraw/zinc/90/73/38/494907338.db2.gz ZIXOODUYUSUEMH-QAPCUYQASA-N 2 1 370.497 3.010 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639692 494907340 /nfs/dbraw/zinc/90/73/40/494907340.db2.gz ZIXOODUYUSUEMH-QAPCUYQASA-N 2 1 370.497 3.010 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639692 494907341 /nfs/dbraw/zinc/90/73/41/494907341.db2.gz ZIXOODUYUSUEMH-QAPCUYQASA-N 2 1 370.497 3.010 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000093683895 494911439 /nfs/dbraw/zinc/91/14/39/494911439.db2.gz RCOQEMOMXIKERD-IBGZPJMESA-N 2 1 374.525 3.163 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C ZINC000093683895 494911440 /nfs/dbraw/zinc/91/14/40/494911440.db2.gz RCOQEMOMXIKERD-IBGZPJMESA-N 2 1 374.525 3.163 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3ccc(C)cn23)CC1 ZINC000093769500 494918432 /nfs/dbraw/zinc/91/84/32/494918432.db2.gz UTMIYMWZLNZUMU-UHFFFAOYSA-N 2 1 358.530 3.213 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000127625366 494972612 /nfs/dbraw/zinc/97/26/12/494972612.db2.gz VCRIYAXXTDQKPO-OAHLLOKOSA-N 2 1 351.922 3.265 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000110437664 494978949 /nfs/dbraw/zinc/97/89/49/494978949.db2.gz LYXMYAADWOJZFZ-NRFANRHFSA-N 2 1 357.542 3.423 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)C[C@H]1CSCC[NH2+]1)C1CCCCC1 ZINC000133354731 495004399 /nfs/dbraw/zinc/00/43/99/495004399.db2.gz ZPTZXGXVNIJFNJ-KRWDZBQOSA-N 2 1 361.555 3.485 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000133621910 495037168 /nfs/dbraw/zinc/03/71/68/495037168.db2.gz FGMLTCPDDWMODS-FQEVSTJZSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000128054824 495038002 /nfs/dbraw/zinc/03/80/02/495038002.db2.gz SSZNSNGFPHGYGN-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000118868579 495051030 /nfs/dbraw/zinc/05/10/30/495051030.db2.gz STBLTYSSALQQJH-UHFFFAOYSA-N 2 1 357.420 3.308 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1ccccc1C[N@@H+]1CCCC[C@@H]1CCO ZINC000111240079 495052445 /nfs/dbraw/zinc/05/24/45/495052445.db2.gz VPKUJKDCPNBYPV-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123051171 495073147 /nfs/dbraw/zinc/07/31/47/495073147.db2.gz KZFMAIGHTJCCIF-OIBXWCBGSA-N 3 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123051171 495073150 /nfs/dbraw/zinc/07/31/50/495073150.db2.gz KZFMAIGHTJCCIF-OIBXWCBGSA-N 2 1 371.569 3.261 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000123128947 495084824 /nfs/dbraw/zinc/08/48/24/495084824.db2.gz AELJHSKSKHKCDT-UHFFFAOYSA-N 2 1 361.534 3.020 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2nc3ccccc3s2)CC1 ZINC000123174609 495091493 /nfs/dbraw/zinc/09/14/93/495091493.db2.gz SWEIHRHGVFBMEN-UHFFFAOYSA-N 2 1 360.527 3.289 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111816719 495115407 /nfs/dbraw/zinc/11/54/07/495115407.db2.gz JHHURQJFFCBOHY-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123557721 495151429 /nfs/dbraw/zinc/15/14/29/495151429.db2.gz LZJDUCJUEIBTAC-UHFFFAOYSA-N 2 1 367.921 3.341 20 0 FGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000571578270 505765291 /nfs/dbraw/zinc/76/52/91/505765291.db2.gz ZDUGAFBZALUPTO-QGZVFWFLSA-N 2 1 362.518 3.063 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000571578270 505765295 /nfs/dbraw/zinc/76/52/95/505765295.db2.gz ZDUGAFBZALUPTO-QGZVFWFLSA-N 2 1 362.518 3.063 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000134791218 495201774 /nfs/dbraw/zinc/20/17/74/495201774.db2.gz FYYSUHXYIYWJSA-KRWDZBQOSA-N 2 1 351.494 3.176 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000134791218 495201775 /nfs/dbraw/zinc/20/17/75/495201775.db2.gz FYYSUHXYIYWJSA-KRWDZBQOSA-N 2 1 351.494 3.176 20 0 FGADMP Cn1ccnc1[C@@H](Nc1cccc2c1CC[N@@H+](CC(C)(C)O)C2)C1CC1 ZINC000129170771 495205630 /nfs/dbraw/zinc/20/56/30/495205630.db2.gz MFSABNMXPHEZIZ-IBGZPJMESA-N 2 1 354.498 3.112 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000129334558 495230462 /nfs/dbraw/zinc/23/04/62/495230462.db2.gz KXUOVTARQPMAHK-CBQGHPETSA-N 2 1 363.505 3.088 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000124197541 495249275 /nfs/dbraw/zinc/24/92/75/495249275.db2.gz KWYAFTINXINSQT-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124197541 495249278 /nfs/dbraw/zinc/24/92/78/495249278.db2.gz KWYAFTINXINSQT-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000124197541 495249281 /nfs/dbraw/zinc/24/92/81/495249281.db2.gz KWYAFTINXINSQT-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000124248125 495256924 /nfs/dbraw/zinc/25/69/24/495256924.db2.gz LNYYBQUQQRJUKC-ZDUSSCGKSA-N 2 1 370.375 3.131 20 0 FGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)[NH+](C)C ZINC000129549534 495261373 /nfs/dbraw/zinc/26/13/73/495261373.db2.gz YQNKFESFJBKIHF-HXUWFJFHSA-N 2 1 357.498 3.114 20 0 FGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000129549534 495261376 /nfs/dbraw/zinc/26/13/76/495261376.db2.gz YQNKFESFJBKIHF-HXUWFJFHSA-N 2 1 357.498 3.114 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000119921337 495269795 /nfs/dbraw/zinc/26/97/95/495269795.db2.gz CTKPFSPKQDMKEW-FGTMMUONSA-N 2 1 356.514 3.331 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124927452 495365426 /nfs/dbraw/zinc/36/54/26/495365426.db2.gz UDRBQWHEMAQHLP-IBGZPJMESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000571630281 505777354 /nfs/dbraw/zinc/77/73/54/505777354.db2.gz KOEZXOJWDRMFSO-RBUKOAKNSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000114454222 495375557 /nfs/dbraw/zinc/37/55/57/495375557.db2.gz AXVSOBOVYDRDRU-INIZCTEOSA-N 2 1 357.498 3.415 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000114454222 495375562 /nfs/dbraw/zinc/37/55/62/495375562.db2.gz AXVSOBOVYDRDRU-INIZCTEOSA-N 2 1 357.498 3.415 20 0 FGADMP CCC[N@H+](CCc1ccccn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477250 495380256 /nfs/dbraw/zinc/38/02/56/495380256.db2.gz OPKFAGZFBPAXMT-UHFFFAOYSA-N 2 1 353.514 3.412 20 0 FGADMP CCC[N@@H+](CCc1ccccn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477250 495380259 /nfs/dbraw/zinc/38/02/59/495380259.db2.gz OPKFAGZFBPAXMT-UHFFFAOYSA-N 2 1 353.514 3.412 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000130613789 495419897 /nfs/dbraw/zinc/41/98/97/495419897.db2.gz BCTOSYVCRIMYTK-SFHVURJKSA-N 2 1 358.461 3.157 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2cc(C)ccc2F)C1=O ZINC000130613789 495419902 /nfs/dbraw/zinc/41/99/02/495419902.db2.gz BCTOSYVCRIMYTK-SFHVURJKSA-N 2 1 358.461 3.157 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125325391 495425978 /nfs/dbraw/zinc/42/59/78/495425978.db2.gz FDQMZXLPEATLIX-HJNYFJLDSA-N 2 1 360.542 3.115 20 0 FGADMP CCCN1CCC([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CC1 ZINC000125322679 495426072 /nfs/dbraw/zinc/42/60/72/495426072.db2.gz BMQUEJNUXWKGOY-UHFFFAOYSA-N 2 1 372.601 3.361 20 0 FGADMP CCN(CC)[C@H](C(=O)N1CC[C@H](Oc2ccncc2)C1)c1ccccc1 ZINC000120709987 495440430 /nfs/dbraw/zinc/44/04/30/495440430.db2.gz CXEVKTZSNRCOGP-PMACEKPBSA-N 2 1 353.466 3.144 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000137492882 495442278 /nfs/dbraw/zinc/44/22/78/495442278.db2.gz COOPANGGSBEXTH-PKOBYXMFSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000137492882 495442279 /nfs/dbraw/zinc/44/22/79/495442279.db2.gz COOPANGGSBEXTH-PKOBYXMFSA-N 2 1 354.498 3.176 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000130798075 495447636 /nfs/dbraw/zinc/44/76/36/495447636.db2.gz IGJAUNKAXLAZAN-NRFANRHFSA-N 2 1 354.498 3.089 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1 ZINC000130798075 495447639 /nfs/dbraw/zinc/44/76/39/495447639.db2.gz IGJAUNKAXLAZAN-NRFANRHFSA-N 2 1 354.498 3.089 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106388530 495450288 /nfs/dbraw/zinc/45/02/88/495450288.db2.gz LVBCPIQKTLLFEA-HNNXBMFYSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106388530 495450298 /nfs/dbraw/zinc/45/02/98/495450298.db2.gz LVBCPIQKTLLFEA-HNNXBMFYSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCCC1 ZINC000125607065 495470179 /nfs/dbraw/zinc/47/01/79/495470179.db2.gz YTVVCJHYUUFLIP-CABCVRRESA-N 2 1 356.507 3.002 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)C1 ZINC000139933181 495485272 /nfs/dbraw/zinc/48/52/72/495485272.db2.gz PVCBGWVGGGXNGO-GUDVDZBRSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1 ZINC000139933181 495485273 /nfs/dbraw/zinc/48/52/73/495485273.db2.gz PVCBGWVGGGXNGO-GUDVDZBRSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)C1 ZINC000139933181 495485275 /nfs/dbraw/zinc/48/52/75/495485275.db2.gz PVCBGWVGGGXNGO-GUDVDZBRSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc4ccccc43)C2)CC1 ZINC000107368145 495525845 /nfs/dbraw/zinc/52/58/45/495525845.db2.gz FCVKUXZONREHDF-NRFANRHFSA-N 2 1 367.537 3.321 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182375857 495538197 /nfs/dbraw/zinc/53/81/97/495538197.db2.gz VQXXHOVZEKNNMH-OALUTQOASA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568704 505788214 /nfs/dbraw/zinc/78/82/14/505788214.db2.gz NYLOEDJPUIXBIA-KIZRIRGWSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580568704 505788218 /nfs/dbraw/zinc/78/82/18/505788218.db2.gz NYLOEDJPUIXBIA-KIZRIRGWSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580568704 505788222 /nfs/dbraw/zinc/78/82/22/505788222.db2.gz NYLOEDJPUIXBIA-KIZRIRGWSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154327368 495582159 /nfs/dbraw/zinc/58/21/59/495582159.db2.gz XSNSBVVCEGXMFF-UTKZUKDTSA-N 2 1 368.525 3.236 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000154327368 495582162 /nfs/dbraw/zinc/58/21/62/495582162.db2.gz XSNSBVVCEGXMFF-UTKZUKDTSA-N 2 1 368.525 3.236 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000179498400 495615231 /nfs/dbraw/zinc/61/52/31/495615231.db2.gz KBGYFLPLTNLKIX-HXUWFJFHSA-N 2 1 356.514 3.069 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)C(C)C ZINC000179498400 495615238 /nfs/dbraw/zinc/61/52/38/495615238.db2.gz KBGYFLPLTNLKIX-HXUWFJFHSA-N 2 1 356.514 3.069 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000574524250 505792815 /nfs/dbraw/zinc/79/28/15/505792815.db2.gz PCZNMYKCJRCGFE-QFIPXVFZSA-N 2 1 356.485 3.292 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000173664345 495638858 /nfs/dbraw/zinc/63/88/58/495638858.db2.gz VKIOIFKVIJZHTL-SFHVURJKSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182644603 495647055 /nfs/dbraw/zinc/64/70/55/495647055.db2.gz OTRNGAUXDYYQFW-LNLFQRSKSA-N 2 1 366.594 3.305 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000179581257 495648669 /nfs/dbraw/zinc/64/86/69/495648669.db2.gz IIAPHRFXRSLOIY-RTWAWAEBSA-N 2 1 372.557 3.195 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000182691184 495666209 /nfs/dbraw/zinc/66/62/09/495666209.db2.gz SGHCEIBVDAEXTR-ROUUACIJSA-N 2 1 361.534 3.057 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000173752435 495677303 /nfs/dbraw/zinc/67/73/03/495677303.db2.gz CYYFHSDNLMZFTH-PXNSSMCTSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173752435 495677307 /nfs/dbraw/zinc/67/73/07/495677307.db2.gz CYYFHSDNLMZFTH-PXNSSMCTSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000173752435 495677311 /nfs/dbraw/zinc/67/73/11/495677311.db2.gz CYYFHSDNLMZFTH-PXNSSMCTSA-N 2 1 360.546 3.151 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863607 495732410 /nfs/dbraw/zinc/73/24/10/495732410.db2.gz XTNWXBHSXRPQNA-WMZOPIPTSA-N 2 1 364.917 3.460 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863607 495732416 /nfs/dbraw/zinc/73/24/16/495732416.db2.gz XTNWXBHSXRPQNA-WMZOPIPTSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863607 495732420 /nfs/dbraw/zinc/73/24/20/495732420.db2.gz XTNWXBHSXRPQNA-WMZOPIPTSA-N 2 1 364.917 3.460 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3cc(Cl)c4c(c3)OCCCO4)CC[C@@H]21 ZINC000182863607 495732424 /nfs/dbraw/zinc/73/24/24/495732424.db2.gz XTNWXBHSXRPQNA-WMZOPIPTSA-N 2 1 364.917 3.460 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000151142119 495751381 /nfs/dbraw/zinc/75/13/81/495751381.db2.gz HVVPWBLWZSUUEG-SFHVURJKSA-N 2 1 368.525 3.171 20 0 FGADMP CN(CC(=O)Nc1ccc(Cl)cn1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173977320 495771815 /nfs/dbraw/zinc/77/18/15/495771815.db2.gz SXQSUYKWXWNVIX-QGZVFWFLSA-N 2 1 372.900 3.127 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962671 495777154 /nfs/dbraw/zinc/77/71/54/495777154.db2.gz UTSMCAQSIYLEKD-LJQANCHMSA-N 2 1 374.573 3.015 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000171384543 495848756 /nfs/dbraw/zinc/84/87/56/495848756.db2.gz FJLVUXQJHRZESN-HSZRJFAPSA-N 2 1 352.522 3.434 20 0 FGADMP Cc1csc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183145993 495853904 /nfs/dbraw/zinc/85/39/04/495853904.db2.gz SLWPUGQAVGVIIC-CYBMUJFWSA-N 2 1 355.467 3.235 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167647 495889701 /nfs/dbraw/zinc/88/97/01/495889701.db2.gz HHEFVXZJJJAXOS-MJLAPFRSSA-N 2 1 362.521 3.446 20 0 FGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000174282883 495894037 /nfs/dbraw/zinc/89/40/37/495894037.db2.gz ATTIUOLTMUJWLF-QUCCMNQESA-N 2 1 373.541 3.406 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000171667984 495981586 /nfs/dbraw/zinc/98/15/86/495981586.db2.gz GROBEIDDDIZIGD-LJQANCHMSA-N 2 1 364.578 3.061 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000151926264 495994881 /nfs/dbraw/zinc/99/48/81/495994881.db2.gz HEJCHMNDMOQULI-QGZVFWFLSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000177259398 495998475 /nfs/dbraw/zinc/99/84/75/495998475.db2.gz ULCHDVPSLNMVGQ-GOSISDBHSA-N 2 1 369.553 3.347 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000177259398 495998483 /nfs/dbraw/zinc/99/84/83/495998483.db2.gz ULCHDVPSLNMVGQ-GOSISDBHSA-N 2 1 369.553 3.347 20 0 FGADMP Cc1cc(C)cc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000183486198 496005418 /nfs/dbraw/zinc/00/54/18/496005418.db2.gz GLJRPPOSUDKXKJ-IBGZPJMESA-N 2 1 357.542 3.082 20 0 FGADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000155593661 496006367 /nfs/dbraw/zinc/00/63/67/496006367.db2.gz RCDAXUVYANKJNV-LAUBAEHRSA-N 2 1 366.509 3.026 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498962 496010624 /nfs/dbraw/zinc/01/06/24/496010624.db2.gz QGPDSEIUNZTAOV-KNKQGSTJSA-N 3 1 359.558 3.022 20 0 FGADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498962 496010627 /nfs/dbraw/zinc/01/06/27/496010627.db2.gz QGPDSEIUNZTAOV-KNKQGSTJSA-N 2 1 359.558 3.022 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000571817302 505820391 /nfs/dbraw/zinc/82/03/91/505820391.db2.gz WRDWWHMSKVYYKA-WIYYLYMNSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000571817302 505820394 /nfs/dbraw/zinc/82/03/94/505820394.db2.gz WRDWWHMSKVYYKA-WIYYLYMNSA-N 2 1 360.546 3.069 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@H](C)C1 ZINC000183710639 496089313 /nfs/dbraw/zinc/08/93/13/496089313.db2.gz LCUBXFOVZROSRL-PBHICJAKSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@H](C)C1 ZINC000183710639 496089317 /nfs/dbraw/zinc/08/93/17/496089317.db2.gz LCUBXFOVZROSRL-PBHICJAKSA-N 2 1 370.335 3.071 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccncc3Cl)CC2)C[C@H](C)O1 ZINC000177506845 496089899 /nfs/dbraw/zinc/08/98/99/496089899.db2.gz SSFXBTXYJXAOKU-HOTGVXAUSA-N 2 1 351.922 3.446 20 0 FGADMP Brc1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000172013741 496129228 /nfs/dbraw/zinc/12/92/28/496129228.db2.gz ALDHOQILNAIPTJ-UHFFFAOYSA-N 2 1 359.333 3.055 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000156039986 496140370 /nfs/dbraw/zinc/14/03/70/496140370.db2.gz CBAKBNYPJVWICS-GOSISDBHSA-N 2 1 371.550 3.452 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152451560 496156897 /nfs/dbraw/zinc/15/68/97/496156897.db2.gz NJKHWAPGWNLBPR-HZPDHXFCSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000574684406 505831049 /nfs/dbraw/zinc/83/10/49/505831049.db2.gz MPEVTRLDUZKSDW-MOPGFXCFSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000574684406 505831053 /nfs/dbraw/zinc/83/10/53/505831053.db2.gz MPEVTRLDUZKSDW-MOPGFXCFSA-N 2 1 374.550 3.298 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000177838386 496217520 /nfs/dbraw/zinc/21/75/20/496217520.db2.gz VWMOWQWSULHLGB-HXUWFJFHSA-N 2 1 369.509 3.082 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4c3cnn4C)CC2)cs1 ZINC000161759522 496233554 /nfs/dbraw/zinc/23/35/54/496233554.db2.gz KVONXCACVKRDOC-SFHVURJKSA-N 2 1 359.543 3.064 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC000175171694 496276653 /nfs/dbraw/zinc/27/66/53/496276653.db2.gz MDFFTOAZHSQJDH-UHFFFAOYSA-N 2 1 358.461 3.141 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768828 505834215 /nfs/dbraw/zinc/83/42/15/505834215.db2.gz ABZZQTWWBKRDOT-UWVAXJGDSA-N 2 1 360.523 3.161 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H]1c1cccs1 ZINC000580768828 505834217 /nfs/dbraw/zinc/83/42/17/505834217.db2.gz ABZZQTWWBKRDOT-UWVAXJGDSA-N 2 1 360.523 3.161 20 0 FGADMP Cc1ccc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)ccc2n1 ZINC000187197122 496334288 /nfs/dbraw/zinc/33/42/88/496334288.db2.gz AYFVVLPNESPGBY-OAQYLSRUSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1ccc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)ccc2n1 ZINC000187197122 496334294 /nfs/dbraw/zinc/33/42/94/496334294.db2.gz AYFVVLPNESPGBY-OAQYLSRUSA-N 2 1 352.526 3.145 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000184332209 496339514 /nfs/dbraw/zinc/33/95/14/496339514.db2.gz XXMGRLAQKGGINR-XJKSGUPXSA-N 2 1 355.320 3.463 20 0 FGADMP C[C@H](CCNC(=O)NC1CC[NH+](CC2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175338237 496346253 /nfs/dbraw/zinc/34/62/53/496346253.db2.gz NYWWTTWYDFLBFX-GOSISDBHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccs1 ZINC000156947231 496370472 /nfs/dbraw/zinc/37/04/72/496370472.db2.gz CMUNJUFMQGXUSV-FQEVSTJZSA-N 2 1 362.514 3.391 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000578023068 505843599 /nfs/dbraw/zinc/84/35/99/505843599.db2.gz NXZGUXORNLEPFB-QGZVFWFLSA-N 2 1 351.922 3.181 20 0 FGADMP CC1(C)CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000178405620 496444727 /nfs/dbraw/zinc/44/47/27/496444727.db2.gz XVVOAAYJESSYFM-IBGZPJMESA-N 2 1 359.514 3.016 20 0 FGADMP CCc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000157299998 496450501 /nfs/dbraw/zinc/45/05/01/496450501.db2.gz CXXDYHLMZLHPSY-LJQANCHMSA-N 2 1 361.530 3.360 20 0 FGADMP CCc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000157299998 496450506 /nfs/dbraw/zinc/45/05/06/496450506.db2.gz CXXDYHLMZLHPSY-LJQANCHMSA-N 2 1 361.530 3.360 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000184594741 496455898 /nfs/dbraw/zinc/45/58/98/496455898.db2.gz JLCNHHREKLNNLV-IBGZPJMESA-N 2 1 369.509 3.301 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163218925 496483606 /nfs/dbraw/zinc/48/36/06/496483606.db2.gz YBIPIFXPPOPZTN-FXAWDEMLSA-N 2 1 356.514 3.229 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(SC)c1 ZINC000157634266 496521099 /nfs/dbraw/zinc/52/10/99/496521099.db2.gz JTTNMAQZZZKFDI-KRWDZBQOSA-N 2 1 364.559 3.288 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000181740721 496524533 /nfs/dbraw/zinc/52/45/33/496524533.db2.gz SZVGLMKRWQCPLR-RBUKOAKNSA-N 2 1 361.530 3.441 20 0 FGADMP CC[C@@H](C[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000187690608 496536393 /nfs/dbraw/zinc/53/63/93/496536393.db2.gz UKTXROQYXQGTKS-FQEVSTJZSA-N 2 1 367.541 3.244 20 0 FGADMP CC[C@@H](C[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000187690608 496536397 /nfs/dbraw/zinc/53/63/97/496536397.db2.gz UKTXROQYXQGTKS-FQEVSTJZSA-N 2 1 367.541 3.244 20 0 FGADMP C[C@@H](C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153670913 496538946 /nfs/dbraw/zinc/53/89/46/496538946.db2.gz PPGSNPWODNXXJJ-KSZLIROESA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000178697951 496544861 /nfs/dbraw/zinc/54/48/61/496544861.db2.gz FUANCRYFGMWWIL-GASCZTMLSA-N 2 1 372.538 3.010 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000178697951 496544867 /nfs/dbraw/zinc/54/48/67/496544867.db2.gz FUANCRYFGMWWIL-GASCZTMLSA-N 2 1 372.538 3.010 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000157763080 496548558 /nfs/dbraw/zinc/54/85/58/496548558.db2.gz XBTPRONHBUELIZ-KRWDZBQOSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000157763080 496548563 /nfs/dbraw/zinc/54/85/63/496548563.db2.gz XBTPRONHBUELIZ-KRWDZBQOSA-N 2 1 371.529 3.037 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157797913 496557123 /nfs/dbraw/zinc/55/71/23/496557123.db2.gz NPGVPYYGMIQGRM-QGZVFWFLSA-N 2 1 364.559 3.288 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1cncs1 ZINC000163930226 496572052 /nfs/dbraw/zinc/57/20/52/496572052.db2.gz SDTNHCVYSHHKKI-SFHVURJKSA-N 2 1 358.555 3.392 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](OCC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000181862640 496576999 /nfs/dbraw/zinc/57/69/99/496576999.db2.gz CAGIQILCUKHVHN-RTBURBONSA-N 2 1 360.546 3.492 20 0 FGADMP CC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000184918199 496583532 /nfs/dbraw/zinc/58/35/32/496583532.db2.gz UGWQTIQLMRGGKZ-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCCS2 ZINC000187821409 496584400 /nfs/dbraw/zinc/58/44/00/496584400.db2.gz WNVHNOMTKQHWAV-GOSISDBHSA-N 2 1 350.528 3.059 20 0 FGADMP C[C@@H](NC1CC[NH+](Cc2cccc(F)c2)CC1)c1nnc2ccccn21 ZINC000164101379 496586500 /nfs/dbraw/zinc/58/65/00/496586500.db2.gz XWEUITMDEIWDEW-OAHLLOKOSA-N 2 1 353.445 3.184 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000178867087 496598817 /nfs/dbraw/zinc/59/88/17/496598817.db2.gz JWGROJSFZGMHBZ-FQEVSTJZSA-N 2 1 372.484 3.162 20 0 FGADMP CN(C[C@H](O)COc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000178867087 496598823 /nfs/dbraw/zinc/59/88/23/496598823.db2.gz JWGROJSFZGMHBZ-FQEVSTJZSA-N 2 1 372.484 3.162 20 0 FGADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000178958893 496629925 /nfs/dbraw/zinc/62/99/25/496629925.db2.gz HBXBQMUIFYJOPZ-INIZCTEOSA-N 2 1 356.297 3.396 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978312 496634279 /nfs/dbraw/zinc/63/42/79/496634279.db2.gz YBCKKLDAOZCEIQ-UHFFFAOYSA-N 2 1 355.448 3.213 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)CC1 ZINC000164977163 496642504 /nfs/dbraw/zinc/64/25/04/496642504.db2.gz KIVPFYHDUUTKRI-UHFFFAOYSA-N 2 1 355.482 3.174 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000179015308 496645974 /nfs/dbraw/zinc/64/59/74/496645974.db2.gz DPEFMSKINHCSCZ-UXHICEINSA-N 2 1 352.482 3.315 20 0 FGADMP C[N@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000154050925 496668225 /nfs/dbraw/zinc/66/82/25/496668225.db2.gz UJLCNIJHAOJCMS-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP C[N@@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000154050925 496668231 /nfs/dbraw/zinc/66/82/31/496668231.db2.gz UJLCNIJHAOJCMS-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000185125427 496671353 /nfs/dbraw/zinc/67/13/53/496671353.db2.gz BJQWIYDZCPFICZ-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000185125427 496671360 /nfs/dbraw/zinc/67/13/60/496671360.db2.gz BJQWIYDZCPFICZ-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000185125427 496671364 /nfs/dbraw/zinc/67/13/64/496671364.db2.gz BJQWIYDZCPFICZ-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCN1CCC(O)CC1 ZINC000179104533 496676458 /nfs/dbraw/zinc/67/64/58/496676458.db2.gz AWNXBVRDZQRICG-SFHVURJKSA-N 2 1 352.906 3.299 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803138 505859133 /nfs/dbraw/zinc/85/91/33/505859133.db2.gz IIFMIVIKVKPCGX-MONBJTKQSA-N 2 1 363.505 3.372 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803138 505859137 /nfs/dbraw/zinc/85/91/37/505859137.db2.gz IIFMIVIKVKPCGX-MONBJTKQSA-N 2 1 363.505 3.372 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384782 496689433 /nfs/dbraw/zinc/68/94/33/496689433.db2.gz IDSAZKOSYNCCJJ-GDBMZVCRSA-N 2 1 367.921 3.306 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388704 496691149 /nfs/dbraw/zinc/69/11/49/496691149.db2.gz JIMHTPSFMVLGGK-DZKIICNBSA-N 2 1 367.921 3.304 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000179158132 496696916 /nfs/dbraw/zinc/69/69/16/496696916.db2.gz PDFBQKLNRGBOAU-SFTDATJTSA-N 2 1 372.557 3.387 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000182252980 496720744 /nfs/dbraw/zinc/72/07/44/496720744.db2.gz FFPPJENXBFMHGQ-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788981 496786647 /nfs/dbraw/zinc/78/66/47/496786647.db2.gz LEARRUCMKKAGAA-JXXFODFXSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788981 496786652 /nfs/dbraw/zinc/78/66/52/496786652.db2.gz LEARRUCMKKAGAA-JXXFODFXSA-N 2 1 352.482 3.152 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000191504976 496788342 /nfs/dbraw/zinc/78/83/42/496788342.db2.gz RMUJYDYPZKVEMP-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000191504976 496788348 /nfs/dbraw/zinc/78/83/48/496788348.db2.gz RMUJYDYPZKVEMP-AWEZNQCLSA-N 2 1 364.440 3.463 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247138593 496789502 /nfs/dbraw/zinc/78/95/02/496789502.db2.gz VZAHGOJWMDENEM-QFBILLFUSA-N 2 1 354.922 3.445 20 0 FGADMP CCc1nc(C)c([C@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191509132 496790190 /nfs/dbraw/zinc/79/01/90/496790190.db2.gz OUOSFTVUPYIJQY-KRWDZBQOSA-N 2 1 352.592 3.423 20 0 FGADMP COC[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@H](COC)C3)cc2)C1 ZINC000247135181 496790366 /nfs/dbraw/zinc/79/03/66/496790366.db2.gz XLWTYYBIDJJXIQ-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP c1csc(C[NH+]2CCC(C[NH2+][C@H](c3ncc[nH]3)c3cccnc3)CC2)c1 ZINC000195014321 496791340 /nfs/dbraw/zinc/79/13/40/496791340.db2.gz KRXXKZCTTFCXDA-IBGZPJMESA-N 2 1 367.522 3.457 20 0 FGADMP OCC1(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000572000716 505866460 /nfs/dbraw/zinc/86/64/60/505866460.db2.gz GOKLFDOGEVFMQE-QFIPXVFZSA-N 2 1 372.553 3.152 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)[C@@H](C)C1 ZINC000247183458 496801024 /nfs/dbraw/zinc/80/10/24/496801024.db2.gz VITAXXJTAYUQAW-FFZOFVMBSA-N 2 1 365.949 3.033 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC1 ZINC000191533649 496801259 /nfs/dbraw/zinc/80/12/59/496801259.db2.gz IXGZSPXXWJYGTR-QHCPKHFHSA-N 2 1 373.585 3.165 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000247198808 496803075 /nfs/dbraw/zinc/80/30/75/496803075.db2.gz WDNVFDJJLOFGBM-IAGOWNOFSA-N 2 1 368.477 3.487 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000247198808 496803080 /nfs/dbraw/zinc/80/30/80/496803080.db2.gz WDNVFDJJLOFGBM-IAGOWNOFSA-N 2 1 368.477 3.487 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCC1 ZINC000268856968 496805073 /nfs/dbraw/zinc/80/50/73/496805073.db2.gz LPXQUTILNDOXHF-KBPBESRZSA-N 2 1 360.470 3.065 20 0 FGADMP Cc1noc(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894732 496817471 /nfs/dbraw/zinc/81/74/71/496817471.db2.gz NWZOTWOZSZFCNS-UXHICEINSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894732 496817474 /nfs/dbraw/zinc/81/74/74/496817474.db2.gz NWZOTWOZSZFCNS-UXHICEINSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000268894732 496817477 /nfs/dbraw/zinc/81/74/77/496817477.db2.gz NWZOTWOZSZFCNS-UXHICEINSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000268894732 496817481 /nfs/dbraw/zinc/81/74/81/496817481.db2.gz NWZOTWOZSZFCNS-UXHICEINSA-N 2 1 354.498 3.297 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000268913245 496822223 /nfs/dbraw/zinc/82/22/23/496822223.db2.gz OOUQLKAFVMJYBY-CVEARBPZSA-N 2 1 361.486 3.212 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000191606660 496829520 /nfs/dbraw/zinc/82/95/20/496829520.db2.gz SRMYCZATWRAJKA-HSZRJFAPSA-N 2 1 370.512 3.334 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264247445 496851545 /nfs/dbraw/zinc/85/15/45/496851545.db2.gz XAHQECGUVOJERC-QGZVFWFLSA-N 2 1 355.320 3.287 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264247445 496851548 /nfs/dbraw/zinc/85/15/48/496851548.db2.gz XAHQECGUVOJERC-QGZVFWFLSA-N 2 1 355.320 3.287 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000195299803 496880823 /nfs/dbraw/zinc/88/08/23/496880823.db2.gz LHJXUALWSWMQSF-QFIPXVFZSA-N 2 1 365.521 3.113 20 0 FGADMP C[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000269309326 496916126 /nfs/dbraw/zinc/91/61/26/496916126.db2.gz VPHVIFUWSDJPDI-LAUBAEHRSA-N 2 1 366.509 3.103 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000247945508 496931399 /nfs/dbraw/zinc/93/13/99/496931399.db2.gz HMYOIRLASOTEIP-JKSUJKDBSA-N 2 1 368.543 3.014 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)ccc1S(C)(=O)=O ZINC000247945508 496931401 /nfs/dbraw/zinc/93/14/01/496931401.db2.gz HMYOIRLASOTEIP-JKSUJKDBSA-N 2 1 368.543 3.014 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247963798 496933742 /nfs/dbraw/zinc/93/37/42/496933742.db2.gz GNSSHKRLNBSDGV-HLAWJBBLSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247963798 496933747 /nfs/dbraw/zinc/93/37/47/496933747.db2.gz GNSSHKRLNBSDGV-HLAWJBBLSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247963798 496933754 /nfs/dbraw/zinc/93/37/54/496933754.db2.gz GNSSHKRLNBSDGV-HLAWJBBLSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247963798 496933756 /nfs/dbraw/zinc/93/37/56/496933756.db2.gz GNSSHKRLNBSDGV-HLAWJBBLSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+](C)C1CC1 ZINC000247977930 496937534 /nfs/dbraw/zinc/93/75/34/496937534.db2.gz LQUVSDMJUJFQJH-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cn(-c3ccccc3)nn2)[C@@H](C)C1 ZINC000247983205 496938483 /nfs/dbraw/zinc/93/84/83/496938483.db2.gz IOYMEMILIGUQJI-NSHGMRRFSA-N 2 1 371.529 3.055 20 0 FGADMP C[N@H+](CCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000195642176 496957396 /nfs/dbraw/zinc/95/73/96/496957396.db2.gz ZEWDNPFROKZVOM-OAQYLSRUSA-N 2 1 372.557 3.339 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000195642176 496957399 /nfs/dbraw/zinc/95/73/99/496957399.db2.gz ZEWDNPFROKZVOM-OAQYLSRUSA-N 2 1 372.557 3.339 20 0 FGADMP C[NH+](CCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000195642176 496957402 /nfs/dbraw/zinc/95/74/02/496957402.db2.gz ZEWDNPFROKZVOM-OAQYLSRUSA-N 2 1 372.557 3.339 20 0 FGADMP C[NH+](CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000195642176 496957407 /nfs/dbraw/zinc/95/74/07/496957407.db2.gz ZEWDNPFROKZVOM-OAQYLSRUSA-N 2 1 372.557 3.339 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142676 496962689 /nfs/dbraw/zinc/96/26/89/496962689.db2.gz YXKPMZKXLQAVKG-ACRUOGEOSA-N 2 1 351.494 3.241 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142676 496962690 /nfs/dbraw/zinc/96/26/90/496962690.db2.gz YXKPMZKXLQAVKG-ACRUOGEOSA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142676 496962691 /nfs/dbraw/zinc/96/26/91/496962691.db2.gz YXKPMZKXLQAVKG-ACRUOGEOSA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000248142676 496962694 /nfs/dbraw/zinc/96/26/94/496962694.db2.gz YXKPMZKXLQAVKG-ACRUOGEOSA-N 2 1 351.494 3.241 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248397631 496993721 /nfs/dbraw/zinc/99/37/21/496993721.db2.gz IFWTZSLJNIIYLZ-YPAWHYETSA-N 2 1 352.526 3.243 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000189074062 496999490 /nfs/dbraw/zinc/99/94/90/496999490.db2.gz ZCAONJHBTWERBN-HXUWFJFHSA-N 2 1 371.525 3.160 20 0 FGADMP CS[C@@H]1CCCC[NH+](CC2(C[N@@H+]3CCCC[C@@H](SC)C3)COC2)C1 ZINC000248408293 496999581 /nfs/dbraw/zinc/99/95/81/496999581.db2.gz CAIDHYHLEMBAEU-QZTJIDSGSA-N 2 1 372.644 3.438 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000248409294 497001354 /nfs/dbraw/zinc/00/13/54/497001354.db2.gz WMLGQKNWNRYRHO-MDNUFGMLSA-N 2 1 372.553 3.462 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1OC ZINC000248435585 497010785 /nfs/dbraw/zinc/01/07/85/497010785.db2.gz FQTSRNKBWJZBKU-OXQOHEQNSA-N 2 1 370.493 3.121 20 0 FGADMP C[C@@H](NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1nc2c(s1)CCCC2 ZINC000248458114 497018184 /nfs/dbraw/zinc/01/81/84/497018184.db2.gz ULTFFGRSXLIVBH-CRAIPNDOSA-N 2 1 371.550 3.439 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1nc2c(s1)CCCC2 ZINC000248458114 497018189 /nfs/dbraw/zinc/01/81/89/497018189.db2.gz ULTFFGRSXLIVBH-CRAIPNDOSA-N 2 1 371.550 3.439 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192477402 497128041 /nfs/dbraw/zinc/12/80/41/497128041.db2.gz AQOAAQSDMCKFLK-IYBDPMFKSA-N 2 1 361.555 3.448 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000236708523 497136244 /nfs/dbraw/zinc/13/62/44/497136244.db2.gz XKOVBQBVANLDFM-LJQANCHMSA-N 2 1 358.555 3.172 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000236859146 497157854 /nfs/dbraw/zinc/15/78/54/497157854.db2.gz HKXJSZNOANHXSB-CYBMUJFWSA-N 2 1 353.894 3.140 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccccc1 ZINC000236903892 497165885 /nfs/dbraw/zinc/16/58/85/497165885.db2.gz IBZVANBDCUZPTL-FPOVZHCZSA-N 2 1 351.494 3.057 20 0 FGADMP CCC[N@H+](CCn1cc[nH+]c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000270693694 497181044 /nfs/dbraw/zinc/18/10/44/497181044.db2.gz YHCWAURJBXOVJJ-UHFFFAOYSA-N 2 1 354.498 3.208 20 0 FGADMP CCC[N@@H+](CCn1cc[nH+]c1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000270693694 497181048 /nfs/dbraw/zinc/18/10/48/497181048.db2.gz YHCWAURJBXOVJJ-UHFFFAOYSA-N 2 1 354.498 3.208 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccn2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274866804 497186621 /nfs/dbraw/zinc/18/66/21/497186621.db2.gz DZQRWJGZMZKCRB-SESVDKBCSA-N 2 1 350.510 3.161 20 0 FGADMP O[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282563 497186662 /nfs/dbraw/zinc/18/66/62/497186662.db2.gz LCDLHQPWJKXRMX-SQNIBIBYSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282563 497186666 /nfs/dbraw/zinc/18/66/66/497186666.db2.gz LCDLHQPWJKXRMX-SQNIBIBYSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282563 497186668 /nfs/dbraw/zinc/18/66/68/497186668.db2.gz LCDLHQPWJKXRMX-SQNIBIBYSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282563 497186669 /nfs/dbraw/zinc/18/66/69/497186669.db2.gz LCDLHQPWJKXRMX-SQNIBIBYSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282563 497186670 /nfs/dbraw/zinc/18/66/70/497186670.db2.gz LCDLHQPWJKXRMX-SQNIBIBYSA-N 2 1 356.432 3.286 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)C1CC[NH+](Cc2csc(C)n2)CC1 ZINC000237109562 497192835 /nfs/dbraw/zinc/19/28/35/497192835.db2.gz FBHUVFQQXJWVKM-UHFFFAOYSA-N 2 1 358.511 3.022 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)c1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237179648 497201953 /nfs/dbraw/zinc/20/19/53/497201953.db2.gz JSGZEEGSDUGJJE-CALCHBBNSA-N 2 1 367.493 3.268 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)c1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237179648 497201955 /nfs/dbraw/zinc/20/19/55/497201955.db2.gz JSGZEEGSDUGJJE-CALCHBBNSA-N 2 1 367.493 3.268 20 0 FGADMP CN1c2ccc(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2CCC1=O ZINC000249460262 497207154 /nfs/dbraw/zinc/20/71/54/497207154.db2.gz QSLAUKASBRLBSY-RXVVDRJESA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2CCC1=O ZINC000249460262 497207156 /nfs/dbraw/zinc/20/71/56/497207156.db2.gz QSLAUKASBRLBSY-RXVVDRJESA-N 2 1 353.510 3.044 20 0 FGADMP CN1c2ccc(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2CCC1=O ZINC000249460262 497207158 /nfs/dbraw/zinc/20/71/58/497207158.db2.gz QSLAUKASBRLBSY-RXVVDRJESA-N 2 1 353.510 3.044 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000249477432 497209218 /nfs/dbraw/zinc/20/92/18/497209218.db2.gz VYQQGZXCEKYOAO-GGPKGHCWSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000249477432 497209222 /nfs/dbraw/zinc/20/92/22/497209222.db2.gz VYQQGZXCEKYOAO-GGPKGHCWSA-N 2 1 361.530 3.049 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237399035 497230713 /nfs/dbraw/zinc/23/07/13/497230713.db2.gz TTWCDKHHJYCGTR-VLCRHTCISA-N 2 1 365.521 3.446 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237475067 497242361 /nfs/dbraw/zinc/24/23/61/497242361.db2.gz WMPYOIXGSBICLW-LAUBAEHRSA-N 2 1 367.493 3.499 20 0 FGADMP COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237489555 497245840 /nfs/dbraw/zinc/24/58/40/497245840.db2.gz DAFXGPWVAFWDDX-NHCUHLMSSA-N 2 1 367.493 3.038 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000249770066 497246727 /nfs/dbraw/zinc/24/67/27/497246727.db2.gz KPVOKPCVMZSCFA-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H](CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237506043 497247469 /nfs/dbraw/zinc/24/74/69/497247469.db2.gz XPBXUUQBPPNRIB-DXIQSLLYSA-N 2 1 371.569 3.381 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278899327 497259825 /nfs/dbraw/zinc/25/98/25/497259825.db2.gz PCFAEUUJJIYMMD-HXUWFJFHSA-N 2 1 369.509 3.147 20 0 FGADMP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](c4ncc[nH]4)C3)nn2)c(Cl)c1 ZINC000271127067 497268306 /nfs/dbraw/zinc/26/83/06/497268306.db2.gz NDSQZAJCMDUCLS-LBPRGKRZSA-N 2 1 360.824 3.163 20 0 FGADMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@H](c4ncc[nH]4)C3)nn2)c(Cl)c1 ZINC000271127067 497268313 /nfs/dbraw/zinc/26/83/13/497268313.db2.gz NDSQZAJCMDUCLS-LBPRGKRZSA-N 2 1 360.824 3.163 20 0 FGADMP CCOc1ccc([C@@H](C)NC(=O)CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000193017825 497275963 /nfs/dbraw/zinc/27/59/63/497275963.db2.gz ALNAFVPZMBTKQW-VOBGVNJCSA-N 2 1 373.541 3.258 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000189948763 497303286 /nfs/dbraw/zinc/30/32/86/497303286.db2.gz CFVPSUGJPMOERF-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc4c(cc3OC(F)F)OCO4)C2)CC1 ZINC000569291069 505898123 /nfs/dbraw/zinc/89/81/23/505898123.db2.gz RMBTYGOFEPFKHQ-CQSZACIVSA-N 2 1 368.424 3.180 20 0 FGADMP C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000193125411 497308839 /nfs/dbraw/zinc/30/88/39/497308839.db2.gz KIOQOGWXJLTROY-FXAWDEMLSA-N 2 1 373.541 3.262 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279030738 497310086 /nfs/dbraw/zinc/31/00/86/497310086.db2.gz WCGSBVIIWSAJKW-JKSUJKDBSA-N 2 1 355.486 3.326 20 0 FGADMP [NH3+][C@@H](CCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000237923598 497315077 /nfs/dbraw/zinc/31/50/77/497315077.db2.gz AEZJWECESIUDIR-NRFANRHFSA-N 2 1 351.494 3.201 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000252656729 497315403 /nfs/dbraw/zinc/31/54/03/497315403.db2.gz NXEHSNNKFZLKHW-UYAOXDASSA-N 2 1 358.530 3.313 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000252656729 497315404 /nfs/dbraw/zinc/31/54/04/497315404.db2.gz NXEHSNNKFZLKHW-UYAOXDASSA-N 2 1 358.530 3.313 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000252656729 497315408 /nfs/dbraw/zinc/31/54/08/497315408.db2.gz NXEHSNNKFZLKHW-UYAOXDASSA-N 2 1 358.530 3.313 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237944357 497317848 /nfs/dbraw/zinc/31/78/48/497317848.db2.gz OMQNIPLXERYIBK-RHSMWYFYSA-N 2 1 370.324 3.201 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCS2 ZINC000578277502 505903130 /nfs/dbraw/zinc/90/31/30/505903130.db2.gz BFYVNKJJNLBDPN-SFHVURJKSA-N 2 1 373.522 3.357 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193474585 497390067 /nfs/dbraw/zinc/39/00/67/497390067.db2.gz PGLGBTVXKHIDRX-HNNXBMFYSA-N 2 1 352.910 3.117 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000193474585 497390071 /nfs/dbraw/zinc/39/00/71/497390071.db2.gz PGLGBTVXKHIDRX-HNNXBMFYSA-N 2 1 352.910 3.117 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000275667008 497398555 /nfs/dbraw/zinc/39/85/55/497398555.db2.gz VKVDNVATGIQTEB-CABCVRRESA-N 2 1 360.889 3.414 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245430878 497401964 /nfs/dbraw/zinc/40/19/64/497401964.db2.gz AJBOKSZYQVZLKP-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581105153 505909989 /nfs/dbraw/zinc/90/99/89/505909989.db2.gz OHFQOXMKFDYCAN-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814946 497438267 /nfs/dbraw/zinc/43/82/67/497438267.db2.gz CZBTZUGGGYZAAZ-AZUAARDMSA-N 2 1 367.541 3.187 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000266896094 497441291 /nfs/dbraw/zinc/44/12/91/497441291.db2.gz WECYRVWUABBZGC-UHFFFAOYSA-N 2 1 371.529 3.054 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C)CC2)n[nH]1 ZINC000275967543 497471908 /nfs/dbraw/zinc/47/19/08/497471908.db2.gz WOOITTQRPOVMGW-DYESRHJHSA-N 2 1 367.541 3.187 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C)CC2)n[nH]1 ZINC000275967543 497471910 /nfs/dbraw/zinc/47/19/10/497471910.db2.gz WOOITTQRPOVMGW-DYESRHJHSA-N 2 1 367.541 3.187 20 0 FGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1)C1CCCC1 ZINC000575038305 505909141 /nfs/dbraw/zinc/90/91/41/505909141.db2.gz PIXGSRLKGUKCKE-NJDAHSKKSA-N 2 1 371.525 3.062 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]21 ZINC000261928584 497477387 /nfs/dbraw/zinc/47/73/87/497477387.db2.gz SLJXGHOEALIYDJ-LALPHHSUSA-N 2 1 356.297 3.381 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1cccs1 ZINC000245623167 497477901 /nfs/dbraw/zinc/47/79/01/497477901.db2.gz FRBGWIITSOFYPC-ZHALLVOQSA-N 2 1 372.538 3.095 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc(C)c1OCc1ccccn1 ZINC000261940793 497480385 /nfs/dbraw/zinc/48/03/85/497480385.db2.gz DPWYFJWAKZBMEG-QFIPXVFZSA-N 2 1 351.494 3.463 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000245641898 497484225 /nfs/dbraw/zinc/48/42/25/497484225.db2.gz XTSJLGMJHIWRGA-CIAFKFPVSA-N 2 1 354.538 3.488 20 0 FGADMP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261987057 497487488 /nfs/dbraw/zinc/48/74/88/497487488.db2.gz XMFMUNOFAGGYKW-RLLQIKCJSA-N 2 1 355.526 3.060 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105153 505909982 /nfs/dbraw/zinc/90/99/82/505909982.db2.gz OHFQOXMKFDYCAN-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581105153 505909986 /nfs/dbraw/zinc/90/99/86/505909986.db2.gz OHFQOXMKFDYCAN-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245677822 497498209 /nfs/dbraw/zinc/49/82/09/497498209.db2.gz UIOYKBPIZUYEPD-NRSPTQNISA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000245677822 497498214 /nfs/dbraw/zinc/49/82/14/497498214.db2.gz UIOYKBPIZUYEPD-NRSPTQNISA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000245677822 497498219 /nfs/dbraw/zinc/49/82/19/497498219.db2.gz UIOYKBPIZUYEPD-NRSPTQNISA-N 2 1 372.557 3.243 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000245692688 497503588 /nfs/dbraw/zinc/50/35/88/497503588.db2.gz QMIPIJUIQXJWSE-LPHOPBHVSA-N 2 1 356.470 3.194 20 0 FGADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000262146463 497515707 /nfs/dbraw/zinc/51/57/07/497515707.db2.gz MVDBEPANCWSFPL-GVDBMIGSSA-N 2 1 365.315 3.394 20 0 FGADMP Clc1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262166781 497519143 /nfs/dbraw/zinc/51/91/43/497519143.db2.gz UGVYQNQKFKBRDJ-SFHVURJKSA-N 2 1 363.933 3.141 20 0 FGADMP Clc1ccc(OC2CCCC2)c(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262166781 497519148 /nfs/dbraw/zinc/51/91/48/497519148.db2.gz UGVYQNQKFKBRDJ-SFHVURJKSA-N 2 1 363.933 3.141 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000245733935 497520830 /nfs/dbraw/zinc/52/08/30/497520830.db2.gz WMAZGFCTRXMSET-WBVHZDCISA-N 2 1 360.527 3.327 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000245733935 497520833 /nfs/dbraw/zinc/52/08/33/497520833.db2.gz WMAZGFCTRXMSET-WBVHZDCISA-N 2 1 360.527 3.327 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245739249 497523109 /nfs/dbraw/zinc/52/31/09/497523109.db2.gz XAKOLSHWILWXEJ-HUUCEWRRSA-N 2 1 362.905 3.433 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245739249 497523113 /nfs/dbraw/zinc/52/31/13/497523113.db2.gz XAKOLSHWILWXEJ-HUUCEWRRSA-N 2 1 362.905 3.433 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231825 497527156 /nfs/dbraw/zinc/52/71/56/497527156.db2.gz GXECRVLYAWGMDS-OYXUHDIQSA-N 2 1 369.553 3.167 20 0 FGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000245750737 497528310 /nfs/dbraw/zinc/52/83/10/497528310.db2.gz TZFNQVFFTZZDIZ-MZADTFQBSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000193977780 497538160 /nfs/dbraw/zinc/53/81/60/497538160.db2.gz QJHQJMREOFFCQN-HNNXBMFYSA-N 2 1 358.448 3.463 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000245919540 497571291 /nfs/dbraw/zinc/57/12/91/497571291.db2.gz WQVSTJMVJXQRJO-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000245919540 497571294 /nfs/dbraw/zinc/57/12/94/497571294.db2.gz WQVSTJMVJXQRJO-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000245919540 497571300 /nfs/dbraw/zinc/57/13/00/497571300.db2.gz WQVSTJMVJXQRJO-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958918 497584194 /nfs/dbraw/zinc/58/41/94/497584194.db2.gz CKOJVFYYOMUIFO-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629323 497587368 /nfs/dbraw/zinc/58/73/68/497587368.db2.gz DCQDQLZVUXCWFC-XCSKNGGISA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]1C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262631497 497587957 /nfs/dbraw/zinc/58/79/57/497587957.db2.gz FLCPAVBBKZZZER-KXEVLKFVSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262646418 497591027 /nfs/dbraw/zinc/59/10/27/497591027.db2.gz OHKAUDZTXLFGCK-PMXSJFBMSA-N 2 1 355.526 3.030 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100565 497621890 /nfs/dbraw/zinc/62/18/90/497621890.db2.gz JFIKMAMSFNIGDP-SIKLNZKXSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100565 497621893 /nfs/dbraw/zinc/62/18/93/497621893.db2.gz JFIKMAMSFNIGDP-SIKLNZKXSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100565 497621896 /nfs/dbraw/zinc/62/18/96/497621896.db2.gz JFIKMAMSFNIGDP-SIKLNZKXSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100565 497621899 /nfs/dbraw/zinc/62/18/99/497621899.db2.gz JFIKMAMSFNIGDP-SIKLNZKXSA-N 2 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000246100565 497621901 /nfs/dbraw/zinc/62/19/01/497621901.db2.gz JFIKMAMSFNIGDP-SIKLNZKXSA-N 2 1 370.585 3.133 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000246132489 497632346 /nfs/dbraw/zinc/63/23/46/497632346.db2.gz BBGRFBMUOVIIMV-OPYAIIAOSA-N 2 1 372.557 3.194 20 0 FGADMP C[NH+](C)[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467438 497636896 /nfs/dbraw/zinc/63/68/96/497636896.db2.gz ZUVIUEGWZWIPTE-WOZUAGRISA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467438 497636897 /nfs/dbraw/zinc/63/68/97/497636897.db2.gz ZUVIUEGWZWIPTE-WOZUAGRISA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467438 497636900 /nfs/dbraw/zinc/63/69/00/497636900.db2.gz ZUVIUEGWZWIPTE-WOZUAGRISA-N 2 1 359.583 3.209 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000246170291 497646428 /nfs/dbraw/zinc/64/64/28/497646428.db2.gz LFTWXNQNACBLTM-PZJWPPBQSA-N 2 1 374.573 3.225 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190951083 497658409 /nfs/dbraw/zinc/65/84/09/497658409.db2.gz YGAIMBQLRZYVSM-HBMCJLEFSA-N 2 1 363.590 3.359 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190951083 497658416 /nfs/dbraw/zinc/65/84/16/497658416.db2.gz YGAIMBQLRZYVSM-HBMCJLEFSA-N 2 1 363.590 3.359 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205078 497659393 /nfs/dbraw/zinc/65/93/93/497659393.db2.gz QUZCVUKQYWVNBI-SOLBZPMBSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205078 497659398 /nfs/dbraw/zinc/65/93/98/497659398.db2.gz QUZCVUKQYWVNBI-SOLBZPMBSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000246205993 497660317 /nfs/dbraw/zinc/66/03/17/497660317.db2.gz NHEGHOUCFCYYOD-KZNAEPCWSA-N 2 1 351.535 3.238 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194425400 497663031 /nfs/dbraw/zinc/66/30/31/497663031.db2.gz SGQQWFWVDGBHEA-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564219 497664038 /nfs/dbraw/zinc/66/40/38/497664038.db2.gz GZLMXJMIEJRDEW-WIYYLYMNSA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564219 497664044 /nfs/dbraw/zinc/66/40/44/497664044.db2.gz GZLMXJMIEJRDEW-WIYYLYMNSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586053 497670554 /nfs/dbraw/zinc/67/05/54/497670554.db2.gz WSBJXCRWSOTLPH-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000246322652 497695706 /nfs/dbraw/zinc/69/57/06/497695706.db2.gz FNMUMJZCLYIMFE-BPQIPLTHSA-N 2 1 363.571 3.440 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000246339475 497700911 /nfs/dbraw/zinc/70/09/11/497700911.db2.gz GQUUCCUVVKOJEM-XUVXKRRUSA-N 2 1 362.489 3.397 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246342964 497702802 /nfs/dbraw/zinc/70/28/02/497702802.db2.gz JDZSQBOWEJILFI-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246342964 497702805 /nfs/dbraw/zinc/70/28/05/497702805.db2.gz JDZSQBOWEJILFI-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246342964 497702812 /nfs/dbraw/zinc/70/28/12/497702812.db2.gz JDZSQBOWEJILFI-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000246347873 497703924 /nfs/dbraw/zinc/70/39/24/497703924.db2.gz OWKCAFFNQPLXPC-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP COC1(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)CCOCC1 ZINC000276978353 497705348 /nfs/dbraw/zinc/70/53/48/497705348.db2.gz GJVWNKBFAUJXQW-UHFFFAOYSA-N 2 1 361.530 3.072 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000246416146 497727537 /nfs/dbraw/zinc/72/75/37/497727537.db2.gz LJGIYJYEDGEKTM-GUDVDZBRSA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246416146 497727541 /nfs/dbraw/zinc/72/75/41/497727541.db2.gz LJGIYJYEDGEKTM-GUDVDZBRSA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246416146 497727544 /nfs/dbraw/zinc/72/75/44/497727544.db2.gz LJGIYJYEDGEKTM-GUDVDZBRSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246448019 497737735 /nfs/dbraw/zinc/73/77/35/497737735.db2.gz DSJZQAPRPDCIRM-MMOPVJDHSA-N 2 1 373.516 3.294 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263262463 497744236 /nfs/dbraw/zinc/74/42/36/497744236.db2.gz MVHPSMMACCUKDU-ZWOKBUDYSA-N 2 1 371.550 3.412 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246511027 497758677 /nfs/dbraw/zinc/75/86/77/497758677.db2.gz BJALMBKTPUCZQF-UONOGXRCSA-N 2 1 353.894 3.010 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246564040 497775714 /nfs/dbraw/zinc/77/57/14/497775714.db2.gz YCVQAFIPGHDENG-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246564040 497775721 /nfs/dbraw/zinc/77/57/21/497775721.db2.gz YCVQAFIPGHDENG-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246564040 497775730 /nfs/dbraw/zinc/77/57/30/497775730.db2.gz YCVQAFIPGHDENG-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564029 497775856 /nfs/dbraw/zinc/77/58/56/497775856.db2.gz YCVQAFIPGHDENG-MMKMLUHNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564029 497775862 /nfs/dbraw/zinc/77/58/62/497775862.db2.gz YCVQAFIPGHDENG-MMKMLUHNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564029 497775866 /nfs/dbraw/zinc/77/58/66/497775866.db2.gz YCVQAFIPGHDENG-MMKMLUHNSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](NC(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000246608460 497788830 /nfs/dbraw/zinc/78/88/30/497788830.db2.gz PLCCYSLKOPYQRM-PBEJRMEISA-N 2 1 372.488 3.419 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@@H](C)C1 ZINC000246842186 497815556 /nfs/dbraw/zinc/81/55/56/497815556.db2.gz BRMFYPAEARAAQQ-KXBFYZLASA-N 2 1 359.514 3.438 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000246867127 497817527 /nfs/dbraw/zinc/81/75/27/497817527.db2.gz KWYANZUMSFDNCL-JYJNAYRXSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C)cc1F ZINC000364205548 497839896 /nfs/dbraw/zinc/83/98/96/497839896.db2.gz GMXAWNSPCKNQKE-KBPBESRZSA-N 2 1 361.465 3.020 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000288609949 497845327 /nfs/dbraw/zinc/84/53/27/497845327.db2.gz QMLZZTNNJUQJIO-UHFFFAOYSA-N 2 1 373.888 3.003 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000578429912 505937790 /nfs/dbraw/zinc/93/77/90/505937790.db2.gz BRRJXJNSGXIQNG-OAHLLOKOSA-N 2 1 360.477 3.078 20 0 FGADMP CC[C@@H](NC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279993 497877256 /nfs/dbraw/zinc/87/72/56/497877256.db2.gz GVNZFLMTTHUNRF-NHCUHLMSSA-N 2 1 372.557 3.256 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280922875 497951979 /nfs/dbraw/zinc/95/19/79/497951979.db2.gz UFKUZIDGXSBDBO-UTKZUKDTSA-N 2 1 352.482 3.383 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4scnc4c3)CC2)CC1 ZINC000572376952 505954054 /nfs/dbraw/zinc/95/40/54/505954054.db2.gz YUIUALRVPBEEBE-UHFFFAOYSA-N 2 1 372.538 3.431 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c(OC)c1 ZINC000572410164 505962330 /nfs/dbraw/zinc/96/23/30/505962330.db2.gz QCGOBTTXOPDDEY-VHSSKADRSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c(OC)c1 ZINC000572410164 505962331 /nfs/dbraw/zinc/96/23/31/505962331.db2.gz QCGOBTTXOPDDEY-VHSSKADRSA-N 2 1 373.522 3.387 20 0 FGADMP C[C@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000292411580 498005930 /nfs/dbraw/zinc/00/59/30/498005930.db2.gz UPWZGKIQBIRPBE-NRFANRHFSA-N 2 1 370.585 3.005 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccsc1 ZINC000581386829 505976453 /nfs/dbraw/zinc/97/64/53/505976453.db2.gz OZRNKTVPWMGFDL-YJBOKZPZSA-N 2 1 360.527 3.015 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2ccccn2c1Br ZINC000289296529 498095042 /nfs/dbraw/zinc/09/50/42/498095042.db2.gz QHGFEWSJWLDNCR-GFCCVEGCSA-N 2 1 362.275 3.028 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)CC1 ZINC000364762808 498132789 /nfs/dbraw/zinc/13/27/89/498132789.db2.gz CBDWNTNIXUCHJK-GFRNBQLOSA-N 2 1 360.542 3.104 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000364780763 498138883 /nfs/dbraw/zinc/13/88/83/498138883.db2.gz WSVGVPKFRRBBHL-BSIFCXSSSA-N 2 1 350.510 3.143 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000364780766 498139282 /nfs/dbraw/zinc/13/92/82/498139282.db2.gz WSVGVPKFRRBBHL-LRQRDZAKSA-N 2 1 350.510 3.143 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633189 505985226 /nfs/dbraw/zinc/98/52/26/505985226.db2.gz GBYQOEROLRMUSX-RBBKRZOGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578633189 505985228 /nfs/dbraw/zinc/98/52/28/505985228.db2.gz GBYQOEROLRMUSX-RBBKRZOGSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000578633189 505985229 /nfs/dbraw/zinc/98/52/29/505985229.db2.gz GBYQOEROLRMUSX-RBBKRZOGSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634071 505986228 /nfs/dbraw/zinc/98/62/28/505986228.db2.gz JNBCVCFRRIDFKY-SOLBZPMBSA-N 2 1 363.571 3.210 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572526043 505989297 /nfs/dbraw/zinc/98/92/97/505989297.db2.gz YHKJPKXOJYWVJL-MSOLQXFVSA-N 2 1 365.468 3.266 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572526043 505989299 /nfs/dbraw/zinc/98/92/99/505989299.db2.gz YHKJPKXOJYWVJL-MSOLQXFVSA-N 2 1 365.468 3.266 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000581486996 505999564 /nfs/dbraw/zinc/99/95/64/505999564.db2.gz NLSHIPYFSPCCSZ-WIYYLYMNSA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000581486996 505999567 /nfs/dbraw/zinc/99/95/67/505999567.db2.gz NLSHIPYFSPCCSZ-WIYYLYMNSA-N 2 1 351.494 3.118 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000575803572 506008628 /nfs/dbraw/zinc/00/86/28/506008628.db2.gz SYXNBBKVHPERGY-RYQLBKOJSA-N 2 1 371.506 3.156 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000575803572 506008632 /nfs/dbraw/zinc/00/86/32/506008632.db2.gz SYXNBBKVHPERGY-RYQLBKOJSA-N 2 1 371.506 3.156 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)N1CC[NH+](C)CC1 ZINC000293140571 498283895 /nfs/dbraw/zinc/28/38/95/498283895.db2.gz ZTFAMMQOQWAXTD-GOSISDBHSA-N 2 1 374.554 3.187 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000365082310 498288400 /nfs/dbraw/zinc/28/84/00/498288400.db2.gz JVAWZHHRTZUXHN-AAEUAGOBSA-N 2 1 367.280 3.430 20 0 FGADMP c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000360642859 498292581 /nfs/dbraw/zinc/29/25/81/498292581.db2.gz RDEKHFLLLKBTHE-ANULTFPQSA-N 3 1 350.510 3.261 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790455 498309007 /nfs/dbraw/zinc/30/90/07/498309007.db2.gz GZVORPGPMSSBFW-FCEUIQTBSA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790455 498309013 /nfs/dbraw/zinc/30/90/13/498309013.db2.gz GZVORPGPMSSBFW-FCEUIQTBSA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@@H]1c1ccccc1 ZINC000360790455 498309015 /nfs/dbraw/zinc/30/90/15/498309015.db2.gz GZVORPGPMSSBFW-FCEUIQTBSA-N 2 1 359.477 3.002 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCCC4CCOCC4)CC3)C2)cc1 ZINC000286200890 498322293 /nfs/dbraw/zinc/32/22/93/498322293.db2.gz XYFASAARHMUKSC-QHCPKHFHSA-N 2 1 371.569 3.085 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000365157288 498326618 /nfs/dbraw/zinc/32/66/18/498326618.db2.gz REUKCDUYBUOGHD-XLIONFOSSA-N 2 1 374.554 3.008 20 0 FGADMP Cn1cc([C@H]2[C@H](CNCc3coc(-c4ccccc4)n3)CCC[N@H+]2C)cn1 ZINC000361354793 498377957 /nfs/dbraw/zinc/37/79/57/498377957.db2.gz VOMGLWASHWADEJ-FXAWDEMLSA-N 2 1 365.481 3.248 20 0 FGADMP Cn1cc([C@H]2[C@H](C[NH2+]Cc3coc(-c4ccccc4)n3)CCCN2C)cn1 ZINC000361354793 498377963 /nfs/dbraw/zinc/37/79/63/498377963.db2.gz VOMGLWASHWADEJ-FXAWDEMLSA-N 2 1 365.481 3.248 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101760 498385019 /nfs/dbraw/zinc/38/50/19/498385019.db2.gz IRKSZLAKRBIHRA-RXVVDRJESA-N 2 1 358.526 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101760 498385025 /nfs/dbraw/zinc/38/50/25/498385025.db2.gz IRKSZLAKRBIHRA-RXVVDRJESA-N 2 1 358.526 3.346 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000361718533 498423445 /nfs/dbraw/zinc/42/34/45/498423445.db2.gz OQWHVVMIUZYFSB-NEWSRXKRSA-N 2 1 354.498 3.334 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000361718536 498424009 /nfs/dbraw/zinc/42/40/09/498424009.db2.gz OQWHVVMIUZYFSB-YTQUADARSA-N 2 1 354.498 3.334 20 0 FGADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106575 498431063 /nfs/dbraw/zinc/43/10/63/498431063.db2.gz SLDSTJKOCGKFIU-SFHVURJKSA-N 2 1 370.493 3.363 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106575 498431070 /nfs/dbraw/zinc/43/10/70/498431070.db2.gz SLDSTJKOCGKFIU-SFHVURJKSA-N 2 1 370.493 3.363 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106575 498431075 /nfs/dbraw/zinc/43/10/75/498431075.db2.gz SLDSTJKOCGKFIU-SFHVURJKSA-N 2 1 370.493 3.363 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106575 498431082 /nfs/dbraw/zinc/43/10/82/498431082.db2.gz SLDSTJKOCGKFIU-SFHVURJKSA-N 2 1 370.493 3.363 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282249677 498437899 /nfs/dbraw/zinc/43/78/99/498437899.db2.gz MSGIAOLVKIDCIN-UHFFFAOYSA-N 2 1 362.543 3.128 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000293651468 498442598 /nfs/dbraw/zinc/44/25/98/498442598.db2.gz IPHHJWHUHHTEAL-UHFFFAOYSA-N 2 1 366.571 3.220 20 0 FGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000290192137 498458952 /nfs/dbraw/zinc/45/89/52/498458952.db2.gz FZKXOLVUANPPJE-YLJYHZDGSA-N 2 1 370.468 3.178 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888232 506045576 /nfs/dbraw/zinc/04/55/76/506045576.db2.gz XEYDOLLIFXYKBV-JKIFEVAISA-N 2 1 354.926 3.148 20 0 FGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333280 498513165 /nfs/dbraw/zinc/51/31/65/498513165.db2.gz DWTQYLYECJDUEQ-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333280 498513173 /nfs/dbraw/zinc/51/31/73/498513173.db2.gz DWTQYLYECJDUEQ-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333280 498513179 /nfs/dbraw/zinc/51/31/79/498513179.db2.gz DWTQYLYECJDUEQ-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333280 498513185 /nfs/dbraw/zinc/51/31/85/498513185.db2.gz DWTQYLYECJDUEQ-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616877 498524465 /nfs/dbraw/zinc/52/44/65/498524465.db2.gz NONHRSZOJHKXAS-HZPDHXFCSA-N 2 1 361.555 3.122 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000290433229 498550020 /nfs/dbraw/zinc/55/00/20/498550020.db2.gz VFRXEKKSYGBZRD-OJKUXAQWSA-N 2 1 364.489 3.266 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000290433229 498550022 /nfs/dbraw/zinc/55/00/22/498550022.db2.gz VFRXEKKSYGBZRD-OJKUXAQWSA-N 2 1 364.489 3.266 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000362801523 498555682 /nfs/dbraw/zinc/55/56/82/498555682.db2.gz GSEIKMFDYJKPLE-XMSQKQJNSA-N 2 1 365.521 3.089 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000362801523 498555688 /nfs/dbraw/zinc/55/56/88/498555688.db2.gz GSEIKMFDYJKPLE-XMSQKQJNSA-N 2 1 365.521 3.089 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581724451 506053787 /nfs/dbraw/zinc/05/37/87/506053787.db2.gz FPIBBZJPLRJYQP-SJLPKXTDSA-N 2 1 355.885 3.119 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000581724451 506053790 /nfs/dbraw/zinc/05/37/90/506053790.db2.gz FPIBBZJPLRJYQP-SJLPKXTDSA-N 2 1 355.885 3.119 20 0 FGADMP COc1ccccc1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000362849813 498566692 /nfs/dbraw/zinc/56/66/92/498566692.db2.gz DJQAFWBXEWJOSY-UHFFFAOYSA-N 2 1 374.529 3.013 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3ccccc3F)CC2)CC1 ZINC000362851240 498566820 /nfs/dbraw/zinc/56/68/20/498566820.db2.gz MHRFYFZOISPBGE-UHFFFAOYSA-N 2 1 362.493 3.144 20 0 FGADMP CN(C)c1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000294090127 498585165 /nfs/dbraw/zinc/58/51/65/498585165.db2.gz ZOTOMEPGNJHGSG-UHFFFAOYSA-N 2 1 365.525 3.031 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000365709728 498608488 /nfs/dbraw/zinc/60/84/88/498608488.db2.gz FLLRHUXDRSZUIK-RZMNMVRNSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000303027045 498642238 /nfs/dbraw/zinc/64/22/38/498642238.db2.gz SMBDCPJETQYRGQ-SVFBPWRDSA-N 2 1 366.594 3.451 20 0 FGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009127 506067631 /nfs/dbraw/zinc/06/76/31/506067631.db2.gz QBKBKSXXZBNKNO-DZGCQCFKSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009127 506067634 /nfs/dbraw/zinc/06/76/34/506067634.db2.gz QBKBKSXXZBNKNO-DZGCQCFKSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009127 506067636 /nfs/dbraw/zinc/06/76/36/506067636.db2.gz QBKBKSXXZBNKNO-DZGCQCFKSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009127 506067639 /nfs/dbraw/zinc/06/76/39/506067639.db2.gz QBKBKSXXZBNKNO-DZGCQCFKSA-N 2 1 360.420 3.408 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(C)cc2C)[nH]1 ZINC000303127992 498649553 /nfs/dbraw/zinc/64/95/53/498649553.db2.gz OPFBZTYZEFLLIO-SFHVURJKSA-N 2 1 370.541 3.273 20 0 FGADMP C[C@H]1CC[C@H](C)N(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365836782 498662817 /nfs/dbraw/zinc/66/28/17/498662817.db2.gz JHIPNQSYXDEVDF-ROUUACIJSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1C[C@@H](C)CN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365843992 498666771 /nfs/dbraw/zinc/66/67/71/498666771.db2.gz SDNGHIVLFLUTQT-IEBWSBKVSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461429 498676541 /nfs/dbraw/zinc/67/65/41/498676541.db2.gz LPGZXOCCBITRLX-RTBURBONSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303461429 498676545 /nfs/dbraw/zinc/67/65/45/498676545.db2.gz LPGZXOCCBITRLX-RTBURBONSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303461429 498676547 /nfs/dbraw/zinc/67/65/47/498676547.db2.gz LPGZXOCCBITRLX-RTBURBONSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461419 498676716 /nfs/dbraw/zinc/67/67/16/498676716.db2.gz LPGZXOCCBITRLX-OALUTQOASA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303461419 498676717 /nfs/dbraw/zinc/67/67/17/498676717.db2.gz LPGZXOCCBITRLX-OALUTQOASA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303461419 498676720 /nfs/dbraw/zinc/67/67/20/498676720.db2.gz LPGZXOCCBITRLX-OALUTQOASA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303503190 498683460 /nfs/dbraw/zinc/68/34/60/498683460.db2.gz VJTWWJKDKCWUQV-AQNXPRMDSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303517342 498685554 /nfs/dbraw/zinc/68/55/54/498685554.db2.gz YHEKQZDLFMMVSL-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290836850 498695683 /nfs/dbraw/zinc/69/56/83/498695683.db2.gz IMEAZPUKICWKQM-INIZCTEOSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290836850 498695690 /nfs/dbraw/zinc/69/56/90/498695690.db2.gz IMEAZPUKICWKQM-INIZCTEOSA-N 2 1 366.292 3.245 20 0 FGADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000298220197 498698820 /nfs/dbraw/zinc/69/88/20/498698820.db2.gz AGUFZZABMNQEKW-UHFFFAOYSA-N 3 1 350.510 3.088 20 0 FGADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]C1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000298220197 498698828 /nfs/dbraw/zinc/69/88/28/498698828.db2.gz AGUFZZABMNQEKW-UHFFFAOYSA-N 3 1 350.510 3.088 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298290662 498723010 /nfs/dbraw/zinc/72/30/10/498723010.db2.gz HDUVYLPEZLPBOM-LJQANCHMSA-N 2 1 359.514 3.469 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000314707570 498779614 /nfs/dbraw/zinc/77/96/14/498779614.db2.gz UBMVLPKGLWITHE-HNNXBMFYSA-N 2 1 350.260 3.458 20 0 FGADMP Oc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1Br ZINC000315328671 498782226 /nfs/dbraw/zinc/78/22/26/498782226.db2.gz VLYGYDPSCCKAPH-UHFFFAOYSA-N 2 1 353.304 3.463 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294719369 498782204 /nfs/dbraw/zinc/78/22/04/498782204.db2.gz BSMLQSYSBPKALI-VQIMIIECSA-N 2 1 357.523 3.085 20 0 FGADMP CCOc1c(Br)cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000316807039 498788932 /nfs/dbraw/zinc/78/89/32/498788932.db2.gz PMFVNNJVICRHNA-GXTWGEPZSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000316807039 498788936 /nfs/dbraw/zinc/78/89/36/498788936.db2.gz PMFVNNJVICRHNA-GXTWGEPZSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000316807039 498788945 /nfs/dbraw/zinc/78/89/45/498788945.db2.gz PMFVNNJVICRHNA-GXTWGEPZSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000316807039 498788951 /nfs/dbraw/zinc/78/89/51/498788951.db2.gz PMFVNNJVICRHNA-GXTWGEPZSA-N 2 1 371.319 3.429 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000316938738 498790313 /nfs/dbraw/zinc/79/03/13/498790313.db2.gz GQXJCRFXVWVFOB-OCCSQVGLSA-N 2 1 369.303 3.183 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000316938738 498790320 /nfs/dbraw/zinc/79/03/20/498790320.db2.gz GQXJCRFXVWVFOB-OCCSQVGLSA-N 2 1 369.303 3.183 20 0 FGADMP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000298560863 498814137 /nfs/dbraw/zinc/81/41/37/498814137.db2.gz VYLYFUYUHBLAGU-HNNXBMFYSA-N 2 1 369.431 3.380 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259251 498845915 /nfs/dbraw/zinc/84/59/15/498845915.db2.gz NGQNIAOAVVXTJH-ATZDWAIDSA-N 2 1 363.933 3.293 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000366260547 498847167 /nfs/dbraw/zinc/84/71/67/498847167.db2.gz RXYGZOYFNZZZPH-IAGOWNOFSA-N 2 1 361.917 3.161 20 0 FGADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(Br)c1O ZINC000298692083 498851345 /nfs/dbraw/zinc/85/13/45/498851345.db2.gz KUKFNCZUXYSLRZ-UHFFFAOYSA-N 2 1 368.275 3.238 20 0 FGADMP CCOc1cccc(CN(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)n1 ZINC000328644524 498886860 /nfs/dbraw/zinc/88/68/60/498886860.db2.gz RSNSSZNTBSELHI-LAUBAEHRSA-N 2 1 371.529 3.119 20 0 FGADMP CCOc1cccc(C[N@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n1 ZINC000328644524 498886866 /nfs/dbraw/zinc/88/68/66/498886866.db2.gz RSNSSZNTBSELHI-LAUBAEHRSA-N 2 1 371.529 3.119 20 0 FGADMP CCOc1cccc(C[N@@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)n1 ZINC000328644524 498886868 /nfs/dbraw/zinc/88/68/68/498886868.db2.gz RSNSSZNTBSELHI-LAUBAEHRSA-N 2 1 371.529 3.119 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000579175853 506109254 /nfs/dbraw/zinc/10/92/54/506109254.db2.gz RDNRXVXFDDIIPH-OLMNPRSZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175853 506109256 /nfs/dbraw/zinc/10/92/56/506109256.db2.gz RDNRXVXFDDIIPH-OLMNPRSZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175853 506109260 /nfs/dbraw/zinc/10/92/60/506109260.db2.gz RDNRXVXFDDIIPH-OLMNPRSZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175853 506109263 /nfs/dbraw/zinc/10/92/63/506109263.db2.gz RDNRXVXFDDIIPH-OLMNPRSZSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000579175853 506109266 /nfs/dbraw/zinc/10/92/66/506109266.db2.gz RDNRXVXFDDIIPH-OLMNPRSZSA-N 2 1 366.937 3.113 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000579186955 506113039 /nfs/dbraw/zinc/11/30/39/506113039.db2.gz SIPAETYRUJBBDL-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000363684088 498944005 /nfs/dbraw/zinc/94/40/05/498944005.db2.gz WIRXQHDPCNLLLI-QGZVFWFLSA-N 2 1 355.486 3.185 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000363684088 498944008 /nfs/dbraw/zinc/94/40/08/498944008.db2.gz WIRXQHDPCNLLLI-QGZVFWFLSA-N 2 1 355.486 3.185 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000570222860 506118864 /nfs/dbraw/zinc/11/88/64/506118864.db2.gz JEWGRUFTISPERG-UYJHFMRCSA-N 2 1 351.922 3.179 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnc(C(F)F)s1 ZINC000363719998 498959235 /nfs/dbraw/zinc/95/92/35/498959235.db2.gz DXWXLGZGJLUONS-UHFFFAOYSA-N 2 1 373.517 3.108 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H](C)c3ccccc3)CC2)CC1 ZINC000576289730 506122627 /nfs/dbraw/zinc/12/26/27/506122627.db2.gz NJPXOMVHZRFZIW-LJQANCHMSA-N 2 1 371.569 3.493 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288283792 498985264 /nfs/dbraw/zinc/98/52/64/498985264.db2.gz XDTUWOPPERVCFD-UEXGIBASSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000579219317 506122877 /nfs/dbraw/zinc/12/28/77/506122877.db2.gz VTINPZIIXJUGAU-INIZCTEOSA-N 2 1 369.513 3.273 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000284092157 499046801 /nfs/dbraw/zinc/04/68/01/499046801.db2.gz MARFVNBHECRQIK-HSZRJFAPSA-N 2 1 371.569 3.228 20 0 FGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000366730493 499051397 /nfs/dbraw/zinc/05/13/97/499051397.db2.gz OXVFWDBWJPERTC-GJZGRUSLSA-N 2 1 357.454 3.191 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)[C@H](C)C1 ZINC000366732340 499052800 /nfs/dbraw/zinc/05/28/00/499052800.db2.gz WJYHVUKNZAZZPD-WTGUMLROSA-N 2 1 362.562 3.173 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC000366795898 499076942 /nfs/dbraw/zinc/07/69/42/499076942.db2.gz PHIBJVJEWMYJCG-UXHICEINSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC000366795898 499076944 /nfs/dbraw/zinc/07/69/44/499076944.db2.gz PHIBJVJEWMYJCG-UXHICEINSA-N 2 1 355.457 3.063 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1)c1nccs1 ZINC000284301895 499085271 /nfs/dbraw/zinc/08/52/71/499085271.db2.gz ZEDMKHPIPJWHOD-IEBWSBKVSA-N 2 1 359.539 3.470 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000367029919 499136179 /nfs/dbraw/zinc/13/61/79/499136179.db2.gz OGTWCDWEFHIRTM-VQIMIIECSA-N 2 1 367.990 3.390 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)cc1 ZINC000367055224 499140571 /nfs/dbraw/zinc/14/05/71/499140571.db2.gz OKDLCFCDXIVYJK-UHFFFAOYSA-N 2 1 369.513 3.061 20 0 FGADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370161829 499190495 /nfs/dbraw/zinc/19/04/95/499190495.db2.gz MHGXNRGRJWGNLU-GOSISDBHSA-N 2 1 373.541 3.357 20 0 FGADMP COCCOc1cccc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)c1 ZINC000367423826 499197449 /nfs/dbraw/zinc/19/74/49/499197449.db2.gz XHKORRUDAFWPQY-UHFFFAOYSA-N 2 1 355.482 3.208 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)o1 ZINC000367428298 499197777 /nfs/dbraw/zinc/19/77/77/499197777.db2.gz GZJCEYRVMDDHSU-UHFFFAOYSA-N 2 1 358.486 3.053 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)o1 ZINC000367428298 499197779 /nfs/dbraw/zinc/19/77/79/499197779.db2.gz GZJCEYRVMDDHSU-UHFFFAOYSA-N 2 1 358.486 3.053 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300510 499207315 /nfs/dbraw/zinc/20/73/15/499207315.db2.gz XBCHRKOGDIARNY-NHCUHLMSSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300510 499207316 /nfs/dbraw/zinc/20/73/16/499207316.db2.gz XBCHRKOGDIARNY-NHCUHLMSSA-N 2 1 358.526 3.216 20 0 FGADMP Cn1cc([C@H]2[C@@H](CN[C@H](c3ncc[nH]3)C3CCCCC3)CCC[N@H+]2C)cn1 ZINC000367617062 499218432 /nfs/dbraw/zinc/21/84/32/499218432.db2.gz PRMUQJJITLZAPI-YZGWKJHDSA-N 2 1 370.545 3.437 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000367697113 499225551 /nfs/dbraw/zinc/22/55/51/499225551.db2.gz BQPBNDZNLCCRNR-ZDUSSCGKSA-N 2 1 350.260 3.181 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1CC(C)C ZINC000367751725 499230675 /nfs/dbraw/zinc/23/06/75/499230675.db2.gz GEFNXJKMGKHEHM-BBWFWOEESA-N 2 1 365.591 3.051 20 0 FGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1F ZINC000370623618 499236887 /nfs/dbraw/zinc/23/68/87/499236887.db2.gz AGKXGUCFPVMEGX-KVSKMBFKSA-N 2 1 350.478 3.203 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCN(c2ccccn2)CC1 ZINC000367849003 499237956 /nfs/dbraw/zinc/23/79/56/499237956.db2.gz NPTVZGPHHRIVRP-LJQANCHMSA-N 2 1 359.901 3.239 20 0 FGADMP c1c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)nc2ncccn12 ZINC000370650337 499240049 /nfs/dbraw/zinc/24/00/49/499240049.db2.gz LFGGTBMHPHROSV-UHFFFAOYSA-N 2 1 361.493 3.217 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000370660074 499240871 /nfs/dbraw/zinc/24/08/71/499240871.db2.gz JDUPXVVJKUZORE-CEMLEFRQSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCOCc1ccccc1 ZINC000370660073 499241007 /nfs/dbraw/zinc/24/10/07/499241007.db2.gz JDUPXVVJKUZORE-BAGYTPMASA-N 2 1 360.542 3.462 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000370763380 499252385 /nfs/dbraw/zinc/25/23/85/499252385.db2.gz KANMKXICPVYXIT-KCZVDYSFSA-N 2 1 355.526 3.019 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047327 499259139 /nfs/dbraw/zinc/25/91/39/499259139.db2.gz SWTVTOYOYKBTGY-QBPKDAKJSA-N 2 1 351.535 3.094 20 0 FGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)ccc1OC ZINC000368100536 499264423 /nfs/dbraw/zinc/26/44/23/499264423.db2.gz HTOVSMOKMIGGOL-MAUKXSAKSA-N 2 1 356.514 3.468 20 0 FGADMP Cc1cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c(C)cn1 ZINC000368241465 499277397 /nfs/dbraw/zinc/27/73/97/499277397.db2.gz OATSNAYGRGRNCG-UXHICEINSA-N 2 1 364.493 3.106 20 0 FGADMP Cc1ccc(CCC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000371095576 499288124 /nfs/dbraw/zinc/28/81/24/499288124.db2.gz WMJKIFDZRICSBJ-UHFFFAOYSA-N 2 1 371.569 3.240 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424831 499294760 /nfs/dbraw/zinc/29/47/60/499294760.db2.gz ALLAMIWCNAYNIV-UWJYYQICSA-N 2 1 361.505 3.329 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000371271572 499304591 /nfs/dbraw/zinc/30/45/91/499304591.db2.gz SEWOJSJDRUXSBC-YADHBBJMSA-N 2 1 363.505 3.415 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc2n1 ZINC000371304252 499308022 /nfs/dbraw/zinc/30/80/22/499308022.db2.gz SDTMHZXYOTUJSG-VGSWGCGISA-N 2 1 352.526 3.001 20 0 FGADMP OC[C@@H](C[C@@H](O)c1ccccc1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000371451673 499328263 /nfs/dbraw/zinc/32/82/63/499328263.db2.gz SORKICLKGKKIHG-FGZHOGPDSA-N 2 1 360.542 3.105 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000368858676 499340662 /nfs/dbraw/zinc/34/06/62/499340662.db2.gz BRTXJVICSJVEGC-IBGZPJMESA-N 2 1 357.523 3.132 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000368877894 499342767 /nfs/dbraw/zinc/34/27/67/499342767.db2.gz XYYZZPWNYWCKJA-IRXDYDNUSA-N 2 1 363.299 3.441 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000368877894 499342768 /nfs/dbraw/zinc/34/27/68/499342768.db2.gz XYYZZPWNYWCKJA-IRXDYDNUSA-N 2 1 363.299 3.441 20 0 FGADMP C[C@@H](NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000371589706 499345046 /nfs/dbraw/zinc/34/50/46/499345046.db2.gz VCRXYXKOFOINAZ-QZTJIDSGSA-N 2 1 370.541 3.162 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]([NH+]4CCCCC4)C3)CC2)[nH+]c1 ZINC000369094843 499365082 /nfs/dbraw/zinc/36/50/82/499365082.db2.gz CQGUJFHTXPYSMU-FQEVSTJZSA-N 2 1 370.541 3.083 20 0 FGADMP COC1(C[C@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000369290354 499388306 /nfs/dbraw/zinc/38/83/06/499388306.db2.gz LUGYIDQUNXWJCE-SFHVURJKSA-N 3 1 351.579 3.120 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000369547575 499415625 /nfs/dbraw/zinc/41/56/25/499415625.db2.gz GEOWNMHUESTXSW-QRQLOZEOSA-N 2 1 357.523 3.160 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccccc1 ZINC000369547575 499415627 /nfs/dbraw/zinc/41/56/27/499415627.db2.gz GEOWNMHUESTXSW-QRQLOZEOSA-N 2 1 357.523 3.160 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000372350528 499423824 /nfs/dbraw/zinc/42/38/24/499423824.db2.gz XAYSTRSENSGOEC-PGRDOPGGSA-N 2 1 365.521 3.089 20 0 FGADMP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CCCCn3cc[nH+]c3C)C2)c1 ZINC000372421094 499432500 /nfs/dbraw/zinc/43/25/00/499432500.db2.gz RBPKYAFCSRGAPD-GOSISDBHSA-N 2 1 372.513 3.200 20 0 FGADMP COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)CCCCn3cc[nH+]c3C)C2)c1 ZINC000372421094 499432501 /nfs/dbraw/zinc/43/25/01/499432501.db2.gz RBPKYAFCSRGAPD-GOSISDBHSA-N 2 1 372.513 3.200 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000369767129 499441745 /nfs/dbraw/zinc/44/17/45/499441745.db2.gz QHKHLZNXFAHYHI-PGRDOPGGSA-N 2 1 371.569 3.272 20 0 FGADMP COc1ccccc1-c1noc(C2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000373032468 499448274 /nfs/dbraw/zinc/44/82/74/499448274.db2.gz CEUHJQBVUZECKZ-UHFFFAOYSA-N 2 1 370.497 3.411 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000373698962 499483934 /nfs/dbraw/zinc/48/39/34/499483934.db2.gz WFYXLTRAOKUMEG-BHDDXSALSA-N 2 1 358.526 3.204 20 0 FGADMP C[C@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CCN1C1CC[NH+](C)CC1 ZINC000375217648 499496480 /nfs/dbraw/zinc/49/64/80/499496480.db2.gz ILNIFHZJYMFFKQ-GTPINHCMSA-N 2 1 361.496 3.455 20 0 FGADMP NC(=O)C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000378406112 499513045 /nfs/dbraw/zinc/51/30/45/499513045.db2.gz SXTWWEOKBMKDNX-BKDYDCAMSA-N 2 1 355.526 3.063 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000375425891 499517666 /nfs/dbraw/zinc/51/76/66/499517666.db2.gz LLRVYUCZNXHTEJ-HXUWFJFHSA-N 2 1 365.521 3.043 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375448681 499520121 /nfs/dbraw/zinc/52/01/21/499520121.db2.gz MINWOODAZYDKKR-WOJBJXKFSA-N 2 1 366.571 3.264 20 0 FGADMP CN(C)c1ncnc(Cl)c1CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375450404 499520528 /nfs/dbraw/zinc/52/05/28/499520528.db2.gz YDUAKVXSAYTJAE-SJLPKXTDSA-N 2 1 373.932 3.369 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518741 499527201 /nfs/dbraw/zinc/52/72/01/499527201.db2.gz LIYLYDFOVNQWOC-MJGOQNOKSA-N 2 1 372.557 3.293 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518741 499527202 /nfs/dbraw/zinc/52/72/02/499527202.db2.gz LIYLYDFOVNQWOC-MJGOQNOKSA-N 2 1 372.557 3.293 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523698 499527840 /nfs/dbraw/zinc/52/78/40/499527840.db2.gz WBHJAJLOXAOVJR-KPFFTGBYSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523698 499527841 /nfs/dbraw/zinc/52/78/41/499527841.db2.gz WBHJAJLOXAOVJR-KPFFTGBYSA-N 2 1 372.557 3.292 20 0 FGADMP Cc1cnc([C@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000375595777 499536205 /nfs/dbraw/zinc/53/62/05/499536205.db2.gz GCFINSBFDGJVDQ-GOSISDBHSA-N 2 1 350.576 3.395 20 0 FGADMP COc1cc(OC)c(OC)cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000380101229 499543213 /nfs/dbraw/zinc/54/32/13/499543213.db2.gz NEGRRBADIIKKBR-LPHOPBHVSA-N 2 1 370.493 3.465 20 0 FGADMP CCOC1CC2(C1)CC[NH+](C/C=C/C[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375738499 499550388 /nfs/dbraw/zinc/55/03/88/499550388.db2.gz OTPDASIIVJVSES-AATRIKPKSA-N 2 1 362.558 3.325 20 0 FGADMP C[C@H](NCC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839751 499551973 /nfs/dbraw/zinc/55/19/73/499551973.db2.gz XXZVYVGUMSWMGL-FUHWJXTLSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839751 499551975 /nfs/dbraw/zinc/55/19/75/499551975.db2.gz XXZVYVGUMSWMGL-FUHWJXTLSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839751 499551977 /nfs/dbraw/zinc/55/19/77/499551977.db2.gz XXZVYVGUMSWMGL-FUHWJXTLSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389105749 499552215 /nfs/dbraw/zinc/55/22/15/499552215.db2.gz PBMVOCMEGIYPLU-YLJYHZDGSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3n[nH]cc32)C[C@H](C)O1 ZINC000375890679 499565324 /nfs/dbraw/zinc/56/53/24/499565324.db2.gz SZLOHFBOTQMCSE-GQIGUUNPSA-N 2 1 354.498 3.186 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cccc2ccccc21 ZINC000573238163 506150488 /nfs/dbraw/zinc/15/04/88/506150488.db2.gz RFYJBIJETJUUFS-SOAGJPPSSA-N 2 1 354.494 3.186 20 0 FGADMP C[N@H+](Cc1nccn1CC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376178676 499589266 /nfs/dbraw/zinc/58/92/66/499589266.db2.gz SUDZCTWKCITIIF-UHFFFAOYSA-N 2 1 367.419 3.189 20 0 FGADMP Cc1nccn1CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409446118 499596457 /nfs/dbraw/zinc/59/64/57/499596457.db2.gz DCHPIHQZOAFLEW-FCHUYYIVSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000409446118 499596458 /nfs/dbraw/zinc/59/64/58/499596458.db2.gz DCHPIHQZOAFLEW-FCHUYYIVSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000409446118 499596459 /nfs/dbraw/zinc/59/64/59/499596459.db2.gz DCHPIHQZOAFLEW-FCHUYYIVSA-N 2 1 352.526 3.426 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000376572980 499619776 /nfs/dbraw/zinc/61/97/76/499619776.db2.gz IMIZHMPYMVIVNL-ZZJWQFMZSA-N 2 1 352.567 3.010 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000376803059 499635565 /nfs/dbraw/zinc/63/55/65/499635565.db2.gz UJJYFBILCFTYJH-HWELCPFYSA-N 2 1 353.510 3.190 20 0 FGADMP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000376940844 499648131 /nfs/dbraw/zinc/64/81/31/499648131.db2.gz KTJBPQNJFVQYEZ-REWPJTCUSA-N 2 1 363.505 3.378 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCN(C(=O)c2ccccc2)CC1 ZINC000573257696 506155717 /nfs/dbraw/zinc/15/57/17/506155717.db2.gz KXUONNDJAGXCNO-UHFFFAOYSA-N 2 1 363.505 3.069 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377618986 499710900 /nfs/dbraw/zinc/71/09/00/499710900.db2.gz CQMJGXWKGUGHDQ-OAQYLSRUSA-N 2 1 359.558 3.195 20 0 FGADMP CC(C)C(=O)N1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411218107 499712584 /nfs/dbraw/zinc/71/25/84/499712584.db2.gz NRGSLKBMWRTRSF-UHFFFAOYSA-N 2 1 357.542 3.363 20 0 FGADMP CC(C)C(=O)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411218107 499712586 /nfs/dbraw/zinc/71/25/86/499712586.db2.gz NRGSLKBMWRTRSF-UHFFFAOYSA-N 2 1 357.542 3.363 20 0 FGADMP Cc1ccncc1CCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000377688551 499720227 /nfs/dbraw/zinc/72/02/27/499720227.db2.gz CBJHTXRGGSOVKY-UHFFFAOYSA-N 2 1 372.601 3.451 20 0 FGADMP Cc1ccncc1CCC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377688551 499720229 /nfs/dbraw/zinc/72/02/29/499720229.db2.gz CBJHTXRGGSOVKY-UHFFFAOYSA-N 3 1 372.601 3.451 20 0 FGADMP Cc1ccncc1CCC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377688551 499720230 /nfs/dbraw/zinc/72/02/30/499720230.db2.gz CBJHTXRGGSOVKY-UHFFFAOYSA-N 3 1 372.601 3.451 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000377695572 499721133 /nfs/dbraw/zinc/72/11/33/499721133.db2.gz MJUHTWLJLGKPTK-UGKGYDQZSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377695572 499721135 /nfs/dbraw/zinc/72/11/35/499721135.db2.gz MJUHTWLJLGKPTK-UGKGYDQZSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377695572 499721137 /nfs/dbraw/zinc/72/11/37/499721137.db2.gz MJUHTWLJLGKPTK-UGKGYDQZSA-N 2 1 357.542 3.175 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000377769731 499730998 /nfs/dbraw/zinc/73/09/98/499730998.db2.gz CKUDINDUJWMMPB-VXSCBNMQSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769731 499731000 /nfs/dbraw/zinc/73/10/00/499731000.db2.gz CKUDINDUJWMMPB-VXSCBNMQSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769731 499731002 /nfs/dbraw/zinc/73/10/02/499731002.db2.gz CKUDINDUJWMMPB-VXSCBNMQSA-N 2 1 369.553 3.372 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000377777305 499731913 /nfs/dbraw/zinc/73/19/13/499731913.db2.gz JLKBGSWTMCQWTH-HNNXBMFYSA-N 2 1 373.863 3.403 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399708 499734520 /nfs/dbraw/zinc/73/45/20/499734520.db2.gz LZVNZLXXDJDPCY-ZLNRFVROSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399708 499734521 /nfs/dbraw/zinc/73/45/21/499734521.db2.gz LZVNZLXXDJDPCY-ZLNRFVROSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@H](CC[NH+]1CC[C@@H]([C@H]2CCOC2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399596 499734726 /nfs/dbraw/zinc/73/47/26/499734726.db2.gz RNTWLEGCNKTJKD-QGJCJDORSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000411399596 499734728 /nfs/dbraw/zinc/73/47/28/499734728.db2.gz RNTWLEGCNKTJKD-QGJCJDORSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000411399596 499734730 /nfs/dbraw/zinc/73/47/30/499734730.db2.gz RNTWLEGCNKTJKD-QGJCJDORSA-N 2 1 364.574 3.120 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817994 499738324 /nfs/dbraw/zinc/73/83/24/499738324.db2.gz DIBXQFLCCJGORA-FKBYEOEOSA-N 2 1 363.505 3.123 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C)[C@@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928304 499748677 /nfs/dbraw/zinc/74/86/77/499748677.db2.gz XKXRESZPPNNIPM-ITQYTPKQSA-N 2 1 363.933 3.179 20 0 FGADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396371 506158646 /nfs/dbraw/zinc/15/86/46/506158646.db2.gz JIZWEYVYVXWCBY-SFTDATJTSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C(F)(F)F ZINC000414348860 499779995 /nfs/dbraw/zinc/77/99/95/499779995.db2.gz SETOCPWUAPHZGX-KRWDZBQOSA-N 2 1 371.447 3.046 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)ccc1C(F)(F)F ZINC000414348860 499779996 /nfs/dbraw/zinc/77/99/96/499779996.db2.gz SETOCPWUAPHZGX-KRWDZBQOSA-N 2 1 371.447 3.046 20 0 FGADMP CC(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411744542 499785558 /nfs/dbraw/zinc/78/55/58/499785558.db2.gz UHDJSRLISPYGNI-FQEVSTJZSA-N 2 1 357.542 3.411 20 0 FGADMP CC(CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000411804515 499792676 /nfs/dbraw/zinc/79/26/76/499792676.db2.gz RLSLMZVHIFSOIJ-VXKWHMMOSA-N 2 1 364.574 3.408 20 0 FGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000579374176 506159829 /nfs/dbraw/zinc/15/98/29/506159829.db2.gz MZKWWJPARIPPDM-UHFFFAOYSA-N 2 1 372.484 3.341 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@@H]2C(C)C)CC1 ZINC000414544493 499805673 /nfs/dbraw/zinc/80/56/73/499805673.db2.gz VGNBTHGAUFVEKP-QFIPXVFZSA-N 2 1 371.569 3.466 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(CCOCC3)[C@H]2C(C)C)CC1 ZINC000414544491 499805897 /nfs/dbraw/zinc/80/58/97/499805897.db2.gz VGNBTHGAUFVEKP-JOCHJYFZSA-N 2 1 371.569 3.466 20 0 FGADMP CCCC[N@H+](Cc1ccccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696192 499821149 /nfs/dbraw/zinc/82/11/49/499821149.db2.gz PRXCXQFTAKBJHN-MRXNPFEDSA-N 2 1 351.922 3.139 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735251 499824778 /nfs/dbraw/zinc/82/47/78/499824778.db2.gz CFWSZVQTZBDMCM-CVEARBPZSA-N 2 1 364.921 3.268 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414762425 499827607 /nfs/dbraw/zinc/82/76/07/499827607.db2.gz AJTQKOYWAYKGJS-IYBDPMFKSA-N 2 1 360.452 3.199 20 0 FGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414771740 499829034 /nfs/dbraw/zinc/82/90/34/499829034.db2.gz AIXFKOZWQPDDJD-KGLIPLIRSA-N 2 1 353.304 3.279 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000412161052 499829122 /nfs/dbraw/zinc/82/91/22/499829122.db2.gz LBXKVFAAZMWLHP-PWIGDYEPSA-N 2 1 357.542 3.275 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787212 499831155 /nfs/dbraw/zinc/83/11/55/499831155.db2.gz VKCPAWIMLQYNNH-LEWJYISDSA-N 2 1 352.526 3.370 20 0 FGADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414817519 499834191 /nfs/dbraw/zinc/83/41/91/499834191.db2.gz AUHJUJWCSIIWSO-PBHICJAKSA-N 2 1 366.431 3.428 20 0 FGADMP C[NH2+]CCC[NH2+]Cc1cn(-c2ccc(Br)cc2)nc1C(C)C ZINC000414860362 499838995 /nfs/dbraw/zinc/83/89/95/499838995.db2.gz PNRUGXWUIDWDDH-UHFFFAOYSA-N 2 1 365.319 3.457 20 0 FGADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414901323 499842956 /nfs/dbraw/zinc/84/29/56/499842956.db2.gz GAZYLQDQZNOAKN-QGZVFWFLSA-N 2 1 352.404 3.182 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000414910041 499844059 /nfs/dbraw/zinc/84/40/59/499844059.db2.gz SEFROPUAKCWMRH-CVEARBPZSA-N 2 1 355.486 3.269 20 0 FGADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000415005610 499854322 /nfs/dbraw/zinc/85/43/22/499854322.db2.gz PHZPHQANIDAMRA-FXAWDEMLSA-N 2 1 358.457 3.326 20 0 FGADMP Clc1cc2cccnc2c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415056725 499859047 /nfs/dbraw/zinc/85/90/47/499859047.db2.gz QLVFRGWYPXEQFS-UHFFFAOYSA-N 2 1 358.917 3.194 20 0 FGADMP C[N@@H+](Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C[C@H](O)C[NH3+] ZINC000415069962 499860532 /nfs/dbraw/zinc/86/05/32/499860532.db2.gz PSNFNPAKZZSDIF-OAHLLOKOSA-N 2 1 354.372 3.249 20 0 FGADMP C[N@H+](Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C[C@H](O)C[NH3+] ZINC000415069962 499860534 /nfs/dbraw/zinc/86/05/34/499860534.db2.gz PSNFNPAKZZSDIF-OAHLLOKOSA-N 2 1 354.372 3.249 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887350 499924656 /nfs/dbraw/zinc/92/46/56/499924656.db2.gz XAOMXMQTEURLSJ-QGZVFWFLSA-N 2 1 364.493 3.071 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887350 499924657 /nfs/dbraw/zinc/92/46/57/499924657.db2.gz XAOMXMQTEURLSJ-QGZVFWFLSA-N 2 1 364.493 3.071 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000415929384 499929575 /nfs/dbraw/zinc/92/95/75/499929575.db2.gz GVQXYIVLSONGPF-NRFANRHFSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000415929384 499929576 /nfs/dbraw/zinc/92/95/76/499929576.db2.gz GVQXYIVLSONGPF-NRFANRHFSA-N 2 1 366.509 3.187 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000415936675 499930817 /nfs/dbraw/zinc/93/08/17/499930817.db2.gz ULCDXIMKLIMXFD-UHFFFAOYSA-N 2 1 372.538 3.250 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415945146 499931847 /nfs/dbraw/zinc/93/18/47/499931847.db2.gz QWODTLAJTOCXPX-FQEVSTJZSA-N 2 1 352.482 3.192 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417042691 499956432 /nfs/dbraw/zinc/95/64/32/499956432.db2.gz LXDJICQJOKWKRG-PXNSSMCTSA-N 2 1 360.546 3.203 20 0 FGADMP C[C@@H](NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000428957100 499968042 /nfs/dbraw/zinc/96/80/42/499968042.db2.gz ZVUZTYTZIHPETR-LMMKCTJWSA-N 2 1 360.546 3.097 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000413507860 499974956 /nfs/dbraw/zinc/97/49/56/499974956.db2.gz TWDPOZCQOCBSRY-RXVVDRJESA-N 2 1 357.542 3.475 20 0 FGADMP C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000576478220 506168370 /nfs/dbraw/zinc/16/83/70/506168370.db2.gz SSPHKXGNCMHZPT-PGRDOPGGSA-N 2 1 365.521 3.184 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079780 499999665 /nfs/dbraw/zinc/99/96/65/499999665.db2.gz BFMXWCPXZXJNTP-QUWFBVPJSA-N 2 1 372.557 3.242 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425033478 500000614 /nfs/dbraw/zinc/00/06/14/500000614.db2.gz DYEVDZURJZCQAA-GFCCVEGCSA-N 2 1 352.548 3.405 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421383837 500033942 /nfs/dbraw/zinc/03/39/42/500033942.db2.gz LYOATLOPRDSEDE-RDJZCZTQSA-N 2 1 370.497 3.375 20 0 FGADMP C[C@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000425243920 500054251 /nfs/dbraw/zinc/05/42/51/500054251.db2.gz UMGNJWBGAFQUQJ-CYBMUJFWSA-N 2 1 361.287 3.299 20 0 FGADMP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(O)CCOCC1 ZINC000417383499 500055624 /nfs/dbraw/zinc/05/56/24/500055624.db2.gz OUOOMYVOZBIWLU-MZADTFQBSA-N 2 1 372.553 3.339 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399808 500070423 /nfs/dbraw/zinc/07/04/23/500070423.db2.gz XNDDCDFDSAFTDJ-DYVFJYSZSA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399808 500070425 /nfs/dbraw/zinc/07/04/25/500070425.db2.gz XNDDCDFDSAFTDJ-DYVFJYSZSA-N 2 1 367.331 3.117 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564817 500104620 /nfs/dbraw/zinc/10/46/20/500104620.db2.gz GPDIOYYPMFWRSJ-TZIWHRDSSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564817 500104621 /nfs/dbraw/zinc/10/46/21/500104621.db2.gz GPDIOYYPMFWRSJ-TZIWHRDSSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564817 500104624 /nfs/dbraw/zinc/10/46/24/500104624.db2.gz GPDIOYYPMFWRSJ-TZIWHRDSSA-N 2 1 357.542 3.150 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425435739 500106028 /nfs/dbraw/zinc/10/60/28/500106028.db2.gz UHLJQZIJGVEUAZ-UYAOXDASSA-N 2 1 368.525 3.370 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425435739 500106030 /nfs/dbraw/zinc/10/60/30/500106030.db2.gz UHLJQZIJGVEUAZ-UYAOXDASSA-N 2 1 368.525 3.370 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000414054553 500139983 /nfs/dbraw/zinc/13/99/83/500139983.db2.gz BRIVCYSKVFDMME-SFHVURJKSA-N 2 1 353.510 3.318 20 0 FGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000414066179 500143661 /nfs/dbraw/zinc/14/36/61/500143661.db2.gz HTIIQROURVQDST-KKUMJFAQSA-N 2 1 353.532 3.338 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cc3n(n2)CCC3)cc1 ZINC000414076114 500146375 /nfs/dbraw/zinc/14/63/75/500146375.db2.gz PWKAARATRFJYMQ-KRWDZBQOSA-N 2 1 356.514 3.401 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cn1 ZINC000414109960 500155529 /nfs/dbraw/zinc/15/55/29/500155529.db2.gz HVQWDZHVDJPMDW-QGZVFWFLSA-N 2 1 361.530 3.034 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000416969335 500169623 /nfs/dbraw/zinc/16/96/23/500169623.db2.gz BNBGITNFXWSPIG-ZWKOTPCHSA-N 2 1 360.546 3.378 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000416969467 500169912 /nfs/dbraw/zinc/16/99/12/500169912.db2.gz KMFDAHJNBLEOPG-UHFFFAOYSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416981031 500173870 /nfs/dbraw/zinc/17/38/70/500173870.db2.gz UOYDHABDMWFVMY-RXVVDRJESA-N 2 1 372.557 3.392 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc2)C1 ZINC000416994186 500178837 /nfs/dbraw/zinc/17/88/37/500178837.db2.gz RHGZZNFGKATLCZ-HDICACEKSA-N 2 1 374.573 3.291 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023734 500186440 /nfs/dbraw/zinc/18/64/40/500186440.db2.gz WJFKWHAWCANJGJ-AZUAARDMSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417866121 500187290 /nfs/dbraw/zinc/18/72/90/500187290.db2.gz DBTROSUEIZYLEN-FIKGOQFSSA-N 2 1 366.509 3.169 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)c1 ZINC000417874011 500188710 /nfs/dbraw/zinc/18/87/10/500188710.db2.gz JYGCDBDQYTYWTF-YLJYHZDGSA-N 2 1 360.546 3.106 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000417887191 500192466 /nfs/dbraw/zinc/19/24/66/500192466.db2.gz WWNWTAHIBZFBBF-PXNSSMCTSA-N 2 1 360.546 3.248 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417919345 500198434 /nfs/dbraw/zinc/19/84/34/500198434.db2.gz FSSAAMLZUKTVGS-SESVDKBCSA-N 2 1 374.573 3.302 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000417950164 500202574 /nfs/dbraw/zinc/20/25/74/500202574.db2.gz VVXYHDUDNBCINY-HKBOAZHASA-N 2 1 366.509 3.211 20 0 FGADMP CN(C(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422244083 500240325 /nfs/dbraw/zinc/24/03/25/500240325.db2.gz JLWXSKWVHLXOHN-CBNMVNINSA-N 2 1 372.557 3.165 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000418166628 500240958 /nfs/dbraw/zinc/24/09/58/500240958.db2.gz ZOAYIYZIGQDAAG-VQTJNVASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574792 500256459 /nfs/dbraw/zinc/25/64/59/500256459.db2.gz UFCTXQCYEGVNBT-JSGCOSHPSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574792 500256461 /nfs/dbraw/zinc/25/64/61/500256461.db2.gz UFCTXQCYEGVNBT-JSGCOSHPSA-N 2 1 358.313 3.011 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430587475 500258987 /nfs/dbraw/zinc/25/89/87/500258987.db2.gz WDLBMEVSGBUBRV-DSKINZAPSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000430587475 500258988 /nfs/dbraw/zinc/25/89/88/500258988.db2.gz WDLBMEVSGBUBRV-DSKINZAPSA-N 2 1 373.541 3.198 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430595470 500260321 /nfs/dbraw/zinc/26/03/21/500260321.db2.gz MFPKIHKHZOVDRS-WFXMLNOXSA-N 2 1 365.521 3.340 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430595470 500260322 /nfs/dbraw/zinc/26/03/22/500260322.db2.gz MFPKIHKHZOVDRS-WFXMLNOXSA-N 2 1 365.521 3.340 20 0 FGADMP CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418377338 500270113 /nfs/dbraw/zinc/27/01/13/500270113.db2.gz BGWCNPDOYVPSCI-CMTQZCSUSA-N 2 1 358.530 3.123 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000430707558 500273117 /nfs/dbraw/zinc/27/31/17/500273117.db2.gz XVIZDCKCHBBOCX-CBQOVEMMSA-N 2 1 371.569 3.211 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430755884 500280533 /nfs/dbraw/zinc/28/05/33/500280533.db2.gz QIGXSGOXPOOKGH-HDICACEKSA-N 2 1 370.541 3.088 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000430763895 500281665 /nfs/dbraw/zinc/28/16/65/500281665.db2.gz BPZGWIWCZUQAHB-GOEBONIOSA-N 2 1 371.447 3.189 20 0 FGADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)N[C@H](c1cccs1)c1ccccc1 ZINC000422639386 500284774 /nfs/dbraw/zinc/28/47/74/500284774.db2.gz SPRMZZUERYZMCG-FQEVSTJZSA-N 2 1 369.534 3.172 20 0 FGADMP CC[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000422711967 500288593 /nfs/dbraw/zinc/28/85/93/500288593.db2.gz NOLHEGBYRNDKHJ-BPUTZDHNSA-N 2 1 352.320 3.148 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422719438 500289118 /nfs/dbraw/zinc/28/91/18/500289118.db2.gz REIXVWBOQQNNIQ-AJSBUHFISA-N 2 1 351.538 3.099 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422726125 500290832 /nfs/dbraw/zinc/29/08/32/500290832.db2.gz DCVAVZXMLZELNG-UXHICEINSA-N 2 1 367.497 3.153 20 0 FGADMP COc1ccc([C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422768526 500296089 /nfs/dbraw/zinc/29/60/89/500296089.db2.gz TXEGWROBHRZMMK-PMVMPFDFSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422843700 500304927 /nfs/dbraw/zinc/30/49/27/500304927.db2.gz JFTZXZZADUWEDD-HLAWJBBLSA-N 2 1 357.542 3.121 20 0 FGADMP C[N@@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000418671035 500305169 /nfs/dbraw/zinc/30/51/69/500305169.db2.gz LEJGSCGJDYMSAH-NHCUHLMSSA-N 2 1 366.509 3.165 20 0 FGADMP C[N@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000418671035 500305170 /nfs/dbraw/zinc/30/51/70/500305170.db2.gz LEJGSCGJDYMSAH-NHCUHLMSSA-N 2 1 366.509 3.165 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418675902 500306015 /nfs/dbraw/zinc/30/60/15/500306015.db2.gz ROFZKRSLZASBEJ-HLAWJBBLSA-N 2 1 372.557 3.200 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422867803 500307263 /nfs/dbraw/zinc/30/72/63/500307263.db2.gz SZXKPBGGGGIVPZ-GVDBMIGSSA-N 2 1 372.431 3.183 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422867804 500307401 /nfs/dbraw/zinc/30/74/01/500307401.db2.gz SZXKPBGGGGIVPZ-IXDOHACOSA-N 2 1 372.431 3.183 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884144 500310189 /nfs/dbraw/zinc/31/01/89/500310189.db2.gz WIFAIPAXOWBTBT-RHSMWYFYSA-N 2 1 367.331 3.085 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422907657 500314566 /nfs/dbraw/zinc/31/45/66/500314566.db2.gz BWRHTOUQACFDGY-FDFHNCONSA-N 2 1 357.542 3.172 20 0 FGADMP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418780670 500322552 /nfs/dbraw/zinc/32/25/52/500322552.db2.gz YOPKGHFXYGCZDJ-HLAWJBBLSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000431017247 500323918 /nfs/dbraw/zinc/32/39/18/500323918.db2.gz OQHZYMLLJWHGEE-LAUBAEHRSA-N 2 1 367.493 3.088 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422970207 500325373 /nfs/dbraw/zinc/32/53/73/500325373.db2.gz VUYZMWAFMUHIJJ-RJGXRXQPSA-N 2 1 371.569 3.165 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000431070432 500331619 /nfs/dbraw/zinc/33/16/19/500331619.db2.gz KZQAEDJXIWXSHO-KRWDZBQOSA-N 2 1 353.510 3.481 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000431070432 500331622 /nfs/dbraw/zinc/33/16/22/500331622.db2.gz KZQAEDJXIWXSHO-KRWDZBQOSA-N 2 1 353.510 3.481 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021902 500331953 /nfs/dbraw/zinc/33/19/53/500331953.db2.gz GNQBASZQAUYNSU-NEPJUHHUSA-N 2 1 367.209 3.316 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C1CC[NH2+]CC1 ZINC000431076656 500332729 /nfs/dbraw/zinc/33/27/29/500332729.db2.gz LGAGOZGTQHQSCE-KRWDZBQOSA-N 2 1 357.542 3.207 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C1CC[NH2+]CC1 ZINC000431076656 500332731 /nfs/dbraw/zinc/33/27/31/500332731.db2.gz LGAGOZGTQHQSCE-KRWDZBQOSA-N 2 1 357.542 3.207 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000423073498 500338591 /nfs/dbraw/zinc/33/85/91/500338591.db2.gz IUCSMYCLDCEXLT-HIFRSBDPSA-N 2 1 358.935 3.144 20 0 FGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cc1I ZINC000423086601 500340674 /nfs/dbraw/zinc/34/06/74/500340674.db2.gz MHFRPYHREDLSJY-BDAKNGLRSA-N 2 1 352.647 3.160 20 0 FGADMP CCC[N@H+](C)[C@H](CN[C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097348 500341934 /nfs/dbraw/zinc/34/19/34/500341934.db2.gz AOLLFIWUPTWLKR-KFKAGJAMSA-N 2 1 353.938 3.080 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097348 500341938 /nfs/dbraw/zinc/34/19/38/500341938.db2.gz AOLLFIWUPTWLKR-KFKAGJAMSA-N 2 1 353.938 3.080 20 0 FGADMP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423130515 500346464 /nfs/dbraw/zinc/34/64/64/500346464.db2.gz GQIUFDXGXAYAAC-MLHJIOFPSA-N 2 1 356.432 3.469 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141782 500347835 /nfs/dbraw/zinc/34/78/35/500347835.db2.gz RUKFZTVCNZDTKB-KAOXLYBCSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141782 500347837 /nfs/dbraw/zinc/34/78/37/500347837.db2.gz RUKFZTVCNZDTKB-KAOXLYBCSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141782 500347838 /nfs/dbraw/zinc/34/78/38/500347838.db2.gz RUKFZTVCNZDTKB-KAOXLYBCSA-N 3 1 371.569 3.035 20 0 FGADMP C[C@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000423175824 500351635 /nfs/dbraw/zinc/35/16/35/500351635.db2.gz FGJQQSJDYVVARO-KSSFIOAISA-N 2 1 366.347 3.144 20 0 FGADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423181394 500352635 /nfs/dbraw/zinc/35/26/35/500352635.db2.gz CKMASUHUENTHLN-UTKZUKDTSA-N 2 1 357.473 3.458 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423187812 500353226 /nfs/dbraw/zinc/35/32/26/500353226.db2.gz MVHZZBNKPOQBAU-RTWAWAEBSA-N 2 1 367.493 3.333 20 0 FGADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423288530 500362041 /nfs/dbraw/zinc/36/20/41/500362041.db2.gz SOKSAABZGBVAPK-INIZCTEOSA-N 2 1 367.559 3.029 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000423341417 500365155 /nfs/dbraw/zinc/36/51/55/500365155.db2.gz UJMBWTMJAWCLBQ-MWGJNXKLSA-N 2 1 358.526 3.326 20 0 FGADMP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445797 500375619 /nfs/dbraw/zinc/37/56/19/500375619.db2.gz YQSBCLNBLOEIEH-JTSKRJEESA-N 2 1 353.510 3.165 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423473747 500377652 /nfs/dbraw/zinc/37/76/52/500377652.db2.gz NXXOSGBPDPQWJV-SGCGGLILSA-N 3 1 359.533 3.419 20 0 FGADMP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCC2 ZINC000423493206 500378580 /nfs/dbraw/zinc/37/85/80/500378580.db2.gz POMIAQVRBBDCSS-WBVHZDCISA-N 2 1 353.304 3.185 20 0 FGADMP COc1ccc(Cl)cc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423500613 500380094 /nfs/dbraw/zinc/38/00/94/500380094.db2.gz CEVNIACNHOFQDT-ODIFPOPNSA-N 2 1 351.922 3.216 20 0 FGADMP CC1(C)[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1OCc1ccccc1 ZINC000423521780 500381567 /nfs/dbraw/zinc/38/15/67/500381567.db2.gz TVFMLTOLUPJDQE-LIKPIUCQSA-N 2 1 371.569 3.176 20 0 FGADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423521781 500381679 /nfs/dbraw/zinc/38/16/79/500381679.db2.gz TVFMLTOLUPJDQE-QZNJRLLKSA-N 2 1 371.569 3.176 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1OC(F)(F)F ZINC000423522645 500381783 /nfs/dbraw/zinc/38/17/83/500381783.db2.gz VCQMPXGTJRNLOY-FHERZECASA-N 2 1 371.447 3.452 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423529215 500383170 /nfs/dbraw/zinc/38/31/70/500383170.db2.gz XIIZIRLVDIHOQC-IRXDYDNUSA-N 2 1 357.523 3.464 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)CC2)cc1 ZINC000423731419 500397444 /nfs/dbraw/zinc/39/74/44/500397444.db2.gz NZTVRFDUTQNOKQ-KRWDZBQOSA-N 2 1 367.493 3.063 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000431668731 500406308 /nfs/dbraw/zinc/40/63/08/500406308.db2.gz AWQMKUGNKOARGE-FCFHUKJJSA-N 2 1 364.578 3.202 20 0 FGADMP CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@@H](C)[NH3+] ZINC000423856414 500412949 /nfs/dbraw/zinc/41/29/49/500412949.db2.gz WUWGJFAOIAUCDV-UYAOXDASSA-N 2 1 357.542 3.121 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCCC(C)(C)C ZINC000431778114 500423241 /nfs/dbraw/zinc/42/32/41/500423241.db2.gz GVSAEIRGNDXLGI-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@H+](C)Cc1ccccc1 ZINC000423980663 500429315 /nfs/dbraw/zinc/42/93/15/500429315.db2.gz UIDXYHRAFGYZMS-AWEZNQCLSA-N 2 1 358.511 3.069 20 0 FGADMP C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000423980663 500429318 /nfs/dbraw/zinc/42/93/18/500429318.db2.gz UIDXYHRAFGYZMS-AWEZNQCLSA-N 2 1 358.511 3.069 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)cc1 ZINC000420302465 500437756 /nfs/dbraw/zinc/43/77/56/500437756.db2.gz MHXLPXVISYNZHL-YLJYHZDGSA-N 2 1 368.477 3.346 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)c1 ZINC000420306510 500438331 /nfs/dbraw/zinc/43/83/31/500438331.db2.gz HRCRRNFSMQZTRI-CQSZACIVSA-N 2 1 359.495 3.158 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312760 500438758 /nfs/dbraw/zinc/43/87/58/500438758.db2.gz OVRMFLGHALPRJQ-MLGOLLRUSA-N 2 1 356.297 3.160 20 0 FGADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)CC1CCCC1 ZINC000420316851 500439618 /nfs/dbraw/zinc/43/96/18/500439618.db2.gz NVTSNQDWRCIQSM-UHFFFAOYSA-N 2 1 350.413 3.356 20 0 FGADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccc(F)c(F)c2)no1)CC1CCCC1 ZINC000420316851 500439620 /nfs/dbraw/zinc/43/96/20/500439620.db2.gz NVTSNQDWRCIQSM-UHFFFAOYSA-N 2 1 350.413 3.356 20 0 FGADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320260 500441020 /nfs/dbraw/zinc/44/10/20/500441020.db2.gz BCKQOAJZEKOTFM-RTWAWAEBSA-N 2 1 351.494 3.482 20 0 FGADMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326426 500441374 /nfs/dbraw/zinc/44/13/74/500441374.db2.gz JXCNZIWXSBAQIV-XIRDDKMYSA-N 2 1 356.470 3.128 20 0 FGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420326868 500441878 /nfs/dbraw/zinc/44/18/78/500441878.db2.gz YACXFIPYBYGMDG-ZDUSSCGKSA-N 2 1 357.420 3.144 20 0 FGADMP CC[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000424048719 500443571 /nfs/dbraw/zinc/44/35/71/500443571.db2.gz ZICCUKFOFKLSKX-UXHICEINSA-N 2 1 357.542 3.134 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335001 500443800 /nfs/dbraw/zinc/44/38/00/500443800.db2.gz HAMYLCNKWNJHDH-LEWJYISDSA-N 2 1 357.542 3.055 20 0 FGADMP c1ccc(-n2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335979 500443897 /nfs/dbraw/zinc/44/38/97/500443897.db2.gz VHSSSAYPZGWFNZ-ZWKOTPCHSA-N 2 1 350.510 3.183 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000420341055 500444669 /nfs/dbraw/zinc/44/46/69/500444669.db2.gz NONIIEQULZFMJY-MRXNPFEDSA-N 2 1 355.404 3.108 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000420339880 500444764 /nfs/dbraw/zinc/44/47/64/500444764.db2.gz ZFLXPVKJWGFHIJ-ZDUSSCGKSA-N 2 1 359.297 3.060 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000420339880 500444766 /nfs/dbraw/zinc/44/47/66/500444766.db2.gz ZFLXPVKJWGFHIJ-ZDUSSCGKSA-N 2 1 359.297 3.060 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c2ccccc2S1 ZINC000420346083 500445661 /nfs/dbraw/zinc/44/56/61/500445661.db2.gz XJIMLTRMEQZECD-WMZOPIPTSA-N 2 1 373.566 3.368 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1 ZINC000424069277 500447161 /nfs/dbraw/zinc/44/71/61/500447161.db2.gz BNCBBUQTFQFJTK-HXUWFJFHSA-N 2 1 351.494 3.449 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000420376743 500450008 /nfs/dbraw/zinc/45/00/08/500450008.db2.gz KERUDTBAIJNMFR-PXNSSMCTSA-N 2 1 359.445 3.199 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000420377399 500450909 /nfs/dbraw/zinc/45/09/09/500450909.db2.gz KXKRZPDKBADDEK-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1 ZINC000420379585 500451077 /nfs/dbraw/zinc/45/10/77/500451077.db2.gz BFPVKEHMNXFKEJ-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000573446638 506196426 /nfs/dbraw/zinc/19/64/26/506196426.db2.gz LWPBBWBCWFCKOZ-QIJUGHKUSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000573446638 506196429 /nfs/dbraw/zinc/19/64/29/506196429.db2.gz LWPBBWBCWFCKOZ-QIJUGHKUSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000573446638 506196432 /nfs/dbraw/zinc/19/64/32/506196432.db2.gz LWPBBWBCWFCKOZ-QIJUGHKUSA-N 2 1 369.553 3.420 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC000424275151 500479598 /nfs/dbraw/zinc/47/95/98/500479598.db2.gz ZVVCOZQLYAMTKX-OOYIDZMOSA-N 2 1 371.569 3.158 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288627 500481610 /nfs/dbraw/zinc/48/16/10/500481610.db2.gz KUTHLVIMBUGDRL-CRAIPNDOSA-N 2 1 363.571 3.416 20 0 FGADMP CC[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287624 500481988 /nfs/dbraw/zinc/48/19/88/500481988.db2.gz JERLXMPLQXHAQR-CRAIPNDOSA-N 2 1 363.933 3.371 20 0 FGADMP COc1c(Br)cccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424371230 500493192 /nfs/dbraw/zinc/49/31/92/500493192.db2.gz DDMHXQBIIZFDOB-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000420790130 500502121 /nfs/dbraw/zinc/50/21/21/500502121.db2.gz NBKPVVYWHXQIHE-MHJFOBGBSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424428780 500503352 /nfs/dbraw/zinc/50/33/52/500503352.db2.gz UVTYCFPNHQZICB-YLJYHZDGSA-N 2 1 366.509 3.486 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428457946 500512581 /nfs/dbraw/zinc/51/25/81/500512581.db2.gz IAJUZXYAETXXGG-NJDAHSKKSA-N 2 1 371.569 3.429 20 0 FGADMP Cc1c([C@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412780 500512942 /nfs/dbraw/zinc/51/29/42/500512942.db2.gz CVDFCUQXRMGURR-ROUUACIJSA-N 2 1 371.529 3.036 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](CC)(CO)C2)CC1 ZINC000428468169 500513970 /nfs/dbraw/zinc/51/39/70/500513970.db2.gz MRAQUJPIXHLHDF-JOCHJYFZSA-N 2 1 359.558 3.203 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432420662 500514011 /nfs/dbraw/zinc/51/40/11/500514011.db2.gz CLABMPIKICETCJ-ZWKOTPCHSA-N 2 1 355.526 3.424 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432420662 500514014 /nfs/dbraw/zinc/51/40/14/500514014.db2.gz CLABMPIKICETCJ-ZWKOTPCHSA-N 2 1 355.526 3.424 20 0 FGADMP Cc1cc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc(C)n1 ZINC000420856500 500516895 /nfs/dbraw/zinc/51/68/95/500516895.db2.gz YGYZZMRUZMAUGX-UHFFFAOYSA-N 2 1 352.482 3.116 20 0 FGADMP C[C@H]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420904575 500526676 /nfs/dbraw/zinc/52/66/76/500526676.db2.gz PUHOLOJVYHZYRE-PELRDEGISA-N 2 1 372.557 3.165 20 0 FGADMP c1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCOC2)cc1 ZINC000420952529 500539767 /nfs/dbraw/zinc/53/97/67/500539767.db2.gz UKNMUWLSOCVVCT-GOTSBHOMSA-N 2 1 366.505 3.386 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc4ccccc4c3)CC2)CC1 ZINC000420986738 500548827 /nfs/dbraw/zinc/54/88/27/500548827.db2.gz YSWMZIXFMIBALZ-UHFFFAOYSA-N 2 1 352.526 3.227 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)CC1 ZINC000432781783 500562980 /nfs/dbraw/zinc/56/29/80/500562980.db2.gz PTMPCTVGGPFARD-RTBURBONSA-N 2 1 371.569 3.444 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447429281 500604964 /nfs/dbraw/zinc/60/49/64/500604964.db2.gz WKMHAJNLKARKEM-HNNXBMFYSA-N 2 1 351.560 3.440 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447429281 500604967 /nfs/dbraw/zinc/60/49/67/500604967.db2.gz WKMHAJNLKARKEM-HNNXBMFYSA-N 2 1 351.560 3.440 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000442757015 500620454 /nfs/dbraw/zinc/62/04/54/500620454.db2.gz FUCSWQCYGFPCNL-CYDGBPFRSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000442757015 500620457 /nfs/dbraw/zinc/62/04/57/500620457.db2.gz FUCSWQCYGFPCNL-CYDGBPFRSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759637 500621397 /nfs/dbraw/zinc/62/13/97/500621397.db2.gz LKBSKGQTIWOIBF-VXGBXAGGSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759637 500621401 /nfs/dbraw/zinc/62/14/01/500621401.db2.gz LKBSKGQTIWOIBF-VXGBXAGGSA-N 2 1 350.260 3.273 20 0 FGADMP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(C(=O)c3ccccc3)c2)CC1 ZINC000433139622 500633821 /nfs/dbraw/zinc/63/38/21/500633821.db2.gz BRSWZSRFZMGCSZ-UHFFFAOYSA-N 2 1 365.477 3.059 20 0 FGADMP C[NH+](C)[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)c1ccccc1 ZINC000447723815 500652856 /nfs/dbraw/zinc/65/28/56/500652856.db2.gz RHMLFWAFJUYKOM-RTBURBONSA-N 2 1 353.466 3.313 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570846 500661835 /nfs/dbraw/zinc/66/18/35/500661835.db2.gz RDKIOPZXAMHJDJ-JLSDUUJJSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570846 500661838 /nfs/dbraw/zinc/66/18/38/500661838.db2.gz RDKIOPZXAMHJDJ-JLSDUUJJSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@H]1C ZINC000437570846 500661842 /nfs/dbraw/zinc/66/18/42/500661842.db2.gz RDKIOPZXAMHJDJ-JLSDUUJJSA-N 2 1 358.448 3.413 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065396 500672736 /nfs/dbraw/zinc/67/27/36/500672736.db2.gz ZTCAESYMLNGOLY-KSZLIROESA-N 2 1 353.510 3.466 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073188 500674896 /nfs/dbraw/zinc/67/48/96/500674896.db2.gz OXZGKDOKTUXEJP-CVEARBPZSA-N 2 1 364.559 3.258 20 0 FGADMP C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1=CC[NH+](C)CC1 ZINC000443122196 500683158 /nfs/dbraw/zinc/68/31/58/500683158.db2.gz ZYRMPYPTBGJHJL-QTGUNEKASA-N 2 1 367.537 3.055 20 0 FGADMP C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2)C1=CC[N@H+](C)CC1 ZINC000443122196 500683161 /nfs/dbraw/zinc/68/31/61/500683161.db2.gz ZYRMPYPTBGJHJL-QTGUNEKASA-N 2 1 367.537 3.055 20 0 FGADMP C[C@H](NC(=O)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2)C1=CC[N@@H+](C)CC1 ZINC000443122196 500683164 /nfs/dbraw/zinc/68/31/64/500683164.db2.gz ZYRMPYPTBGJHJL-QTGUNEKASA-N 2 1 367.537 3.055 20 0 FGADMP CC(C)(C)c1cnc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000447937200 500692902 /nfs/dbraw/zinc/69/29/02/500692902.db2.gz VWSOSVUIPVRQCF-UHFFFAOYSA-N 2 1 373.570 3.138 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000437857911 500708107 /nfs/dbraw/zinc/70/81/07/500708107.db2.gz IZNMKSADGJIJRF-SYYJFZTOSA-N 2 1 362.562 3.100 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000433592032 500717839 /nfs/dbraw/zinc/71/78/39/500717839.db2.gz RLLRRMRTGFNOJS-BZDYGPBWSA-N 2 1 374.573 3.500 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141685 500744441 /nfs/dbraw/zinc/74/44/41/500744441.db2.gz KSRAMPPELUTRND-QUCCMNQESA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438141685 500744445 /nfs/dbraw/zinc/74/44/45/500744445.db2.gz KSRAMPPELUTRND-QUCCMNQESA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438141685 500744449 /nfs/dbraw/zinc/74/44/49/500744449.db2.gz KSRAMPPELUTRND-QUCCMNQESA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000570695610 506214154 /nfs/dbraw/zinc/21/41/54/506214154.db2.gz YQJVZDFTEBXYBR-OFQRWUPVSA-N 2 1 360.889 3.129 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000438145598 500744946 /nfs/dbraw/zinc/74/49/46/500744946.db2.gz NMYXSYSALBNBOX-VQTJNVASSA-N 2 1 362.562 3.053 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H](c2nccn2C)C1)c1ccc(Cl)cc1 ZINC000570695610 506214155 /nfs/dbraw/zinc/21/41/55/506214155.db2.gz YQJVZDFTEBXYBR-OFQRWUPVSA-N 2 1 360.889 3.129 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619480 500746156 /nfs/dbraw/zinc/74/61/56/500746156.db2.gz QQMGVEFISVVENE-AEFFLSMTSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619480 500746160 /nfs/dbraw/zinc/74/61/60/500746160.db2.gz QQMGVEFISVVENE-AEFFLSMTSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619480 500746164 /nfs/dbraw/zinc/74/61/64/500746164.db2.gz QQMGVEFISVVENE-AEFFLSMTSA-N 2 1 370.459 3.273 20 0 FGADMP Cc1nc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000443633950 500747440 /nfs/dbraw/zinc/74/74/40/500747440.db2.gz WRTPWSOEJDMQTN-GASCZTMLSA-N 2 1 351.560 3.471 20 0 FGADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000443633950 500747442 /nfs/dbraw/zinc/74/74/42/500747442.db2.gz WRTPWSOEJDMQTN-GASCZTMLSA-N 2 1 351.560 3.471 20 0 FGADMP C[NH+](C)CCN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1CCCC1 ZINC000438327360 500770504 /nfs/dbraw/zinc/77/05/04/500770504.db2.gz QODZDFCNAUFUPD-HXUWFJFHSA-N 2 1 364.578 3.299 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545045 500799007 /nfs/dbraw/zinc/79/90/07/500799007.db2.gz KWCROTQOTALLEF-RBUKOAKNSA-N 2 1 359.514 3.248 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545045 500799011 /nfs/dbraw/zinc/79/90/11/500799011.db2.gz KWCROTQOTALLEF-RBUKOAKNSA-N 2 1 359.514 3.248 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000582425935 506219800 /nfs/dbraw/zinc/21/98/00/506219800.db2.gz UQWZYWWZSREIHZ-HXUWFJFHSA-N 2 1 357.523 3.015 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439203119 500869383 /nfs/dbraw/zinc/86/93/83/500869383.db2.gz VRFGAHKOIJOVGK-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000434690999 500880493 /nfs/dbraw/zinc/88/04/93/500880493.db2.gz MIPMIQSJTYHMGP-JCKWVBRZSA-N 2 1 371.447 3.332 20 0 FGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449033947 500906072 /nfs/dbraw/zinc/90/60/72/500906072.db2.gz BIVQGDZNFKPJTG-XMSQKQJNSA-N 2 1 367.537 3.306 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449033947 500906075 /nfs/dbraw/zinc/90/60/75/500906075.db2.gz BIVQGDZNFKPJTG-XMSQKQJNSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449063300 500915274 /nfs/dbraw/zinc/91/52/74/500915274.db2.gz OVCHPXCWHAKIJN-DLBZAZTESA-N 2 1 352.544 3.048 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)n1 ZINC000449082221 500919977 /nfs/dbraw/zinc/91/99/77/500919977.db2.gz LNWFBYLVQMUTOQ-IRXDYDNUSA-N 2 1 354.498 3.253 20 0 FGADMP Cc1cccc(CC[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000449139269 500933499 /nfs/dbraw/zinc/93/34/99/500933499.db2.gz AGVXOOPKKVUVFS-QFIPXVFZSA-N 2 1 365.521 3.025 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)c1 ZINC000445020544 500933967 /nfs/dbraw/zinc/93/39/67/500933967.db2.gz LJDHSMZFMSOCGC-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000445020544 500933970 /nfs/dbraw/zinc/93/39/70/500933970.db2.gz LJDHSMZFMSOCGC-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168529 500939388 /nfs/dbraw/zinc/93/93/88/500939388.db2.gz DQSTXRZNDULIIK-APWZRJJASA-N 2 1 364.555 3.048 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168529 500939392 /nfs/dbraw/zinc/93/93/92/500939392.db2.gz DQSTXRZNDULIIK-APWZRJJASA-N 2 1 364.555 3.048 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847032 500945421 /nfs/dbraw/zinc/94/54/21/500945421.db2.gz SISBNTALZYJUKZ-DYESRHJHSA-N 2 1 371.525 3.425 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847032 500945422 /nfs/dbraw/zinc/94/54/22/500945422.db2.gz SISBNTALZYJUKZ-DYESRHJHSA-N 2 1 371.525 3.425 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435370229 500961376 /nfs/dbraw/zinc/96/13/76/500961376.db2.gz IBIYOHVLUZOXSH-CRAIPNDOSA-N 2 1 353.466 3.117 20 0 FGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435396814 500967650 /nfs/dbraw/zinc/96/76/50/500967650.db2.gz ZAFLLQVFUOYKDI-INIZCTEOSA-N 2 1 350.441 3.459 20 0 FGADMP Cn1ccnc1C[N@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433771 500975198 /nfs/dbraw/zinc/97/51/98/500975198.db2.gz PDKWEJBILDDTGT-HXUWFJFHSA-N 2 1 350.510 3.053 20 0 FGADMP Cn1ccnc1C[N@@H+](Cc1ccc2c(c1)CCC2)[C@@H]1CC12CC[NH2+]CC2 ZINC000435433771 500975201 /nfs/dbraw/zinc/97/52/01/500975201.db2.gz PDKWEJBILDDTGT-HXUWFJFHSA-N 2 1 350.510 3.053 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000449334726 500980167 /nfs/dbraw/zinc/98/01/67/500980167.db2.gz XWLPBQLLCXZSJH-INIZCTEOSA-N 2 1 358.592 3.080 20 0 FGADMP Cc1ncsc1C[N@@H+](C[C@H](C)CC1CCOCC1)C[C@H]1CC[NH2+]C1 ZINC000435449755 500980257 /nfs/dbraw/zinc/98/02/57/500980257.db2.gz VTOKXHKOJGXVFU-QAPCUYQASA-N 2 1 351.560 3.316 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345407 500983217 /nfs/dbraw/zinc/98/32/17/500983217.db2.gz VMGATZLOZHPFKK-JYRKZWEQSA-N 2 1 358.526 3.071 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C[C@H]1C ZINC000440185762 500985325 /nfs/dbraw/zinc/98/53/25/500985325.db2.gz LACZOBMNIDPUIR-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)C[C@H]1C ZINC000440185762 500985328 /nfs/dbraw/zinc/98/53/28/500985328.db2.gz LACZOBMNIDPUIR-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)C[C@H]1C ZINC000440185762 500985331 /nfs/dbraw/zinc/98/53/31/500985331.db2.gz LACZOBMNIDPUIR-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP O=C(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1ccccc1 ZINC000435614578 501002601 /nfs/dbraw/zinc/00/26/01/501002601.db2.gz FGKWEAOFYMUODS-FQEVSTJZSA-N 2 1 352.482 3.055 20 0 FGADMP O=C(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1ccccc1 ZINC000435614578 501002603 /nfs/dbraw/zinc/00/26/03/501002603.db2.gz FGKWEAOFYMUODS-FQEVSTJZSA-N 2 1 352.482 3.055 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435894630 501042870 /nfs/dbraw/zinc/04/28/70/501042870.db2.gz WKPVYCDZDSRVPT-APWZRJJASA-N 2 1 363.527 3.044 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435894239 501042938 /nfs/dbraw/zinc/04/29/38/501042938.db2.gz UHTDECPQXNDGEW-UCNVEGJOSA-N 2 1 355.526 3.067 20 0 FGADMP COC(=O)CC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791249 501049076 /nfs/dbraw/zinc/04/90/76/501049076.db2.gz NIZNYKHZKLDPLD-WOJBJXKFSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791249 501049080 /nfs/dbraw/zinc/04/90/80/501049080.db2.gz NIZNYKHZKLDPLD-WOJBJXKFSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000440791249 501049082 /nfs/dbraw/zinc/04/90/82/501049082.db2.gz NIZNYKHZKLDPLD-WOJBJXKFSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000440791249 501049084 /nfs/dbraw/zinc/04/90/84/501049084.db2.gz NIZNYKHZKLDPLD-WOJBJXKFSA-N 2 1 356.510 3.316 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255239 501096364 /nfs/dbraw/zinc/09/63/64/501096364.db2.gz UMWMVKRNLWNFEM-UWJYYQICSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255239 501096367 /nfs/dbraw/zinc/09/63/67/501096367.db2.gz UMWMVKRNLWNFEM-UWJYYQICSA-N 2 1 367.468 3.280 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@@H](OC)C3)ccc2F)C1 ZINC000450344237 501096518 /nfs/dbraw/zinc/09/65/18/501096518.db2.gz AVCAAEJWRBUYGF-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@@H](OC)C3)ccc2F)C1 ZINC000450344237 501096525 /nfs/dbraw/zinc/09/65/25/501096525.db2.gz AVCAAEJWRBUYGF-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@@H](OC)C3)c2)C1 ZINC000450344237 501096527 /nfs/dbraw/zinc/09/65/27/501096527.db2.gz AVCAAEJWRBUYGF-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@@H](OC)C3)c2)C1 ZINC000450344237 501096531 /nfs/dbraw/zinc/09/65/31/501096531.db2.gz AVCAAEJWRBUYGF-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP c1cc(-c2n[nH]cc2C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cs1 ZINC000436273282 501099576 /nfs/dbraw/zinc/09/95/76/501099576.db2.gz UFFVVTJTEMFPOM-UHFFFAOYSA-N 2 1 368.506 3.260 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450454627 501125657 /nfs/dbraw/zinc/12/56/57/501125657.db2.gz OPQUHRUXDDHCAP-INIZCTEOSA-N 2 1 368.905 3.059 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C(=O)OC)c2Cl)C1 ZINC000450454627 501125661 /nfs/dbraw/zinc/12/56/61/501125661.db2.gz OPQUHRUXDDHCAP-INIZCTEOSA-N 2 1 368.905 3.059 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450643789 501173912 /nfs/dbraw/zinc/17/39/12/501173912.db2.gz RIEAGCIHMNBUIR-QFIPXVFZSA-N 2 1 353.510 3.488 20 0 FGADMP C[C@@H](CCNC(=O)c1sccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000446888637 501177453 /nfs/dbraw/zinc/17/74/53/501177453.db2.gz KYVBEXXCHAKUKJ-INIZCTEOSA-N 2 1 359.539 3.450 20 0 FGADMP C[C@H]1CCC[C@@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450119570 501186039 /nfs/dbraw/zinc/18/60/39/501186039.db2.gz POLZADZOMKAEGP-PGRDOPGGSA-N 2 1 363.590 3.467 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@]1(C)CC=CCC1 ZINC000450122032 501187235 /nfs/dbraw/zinc/18/72/35/501187235.db2.gz YXFSMUPTEMYVQE-QFIPXVFZSA-N 2 1 361.574 3.388 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000450747525 501199573 /nfs/dbraw/zinc/19/95/73/501199573.db2.gz ULVJGNSPYYKPJZ-UHFFFAOYSA-N 2 1 366.933 3.034 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC45CCC(CC4)C5)CC3)C2)cc1 ZINC000450981985 501236803 /nfs/dbraw/zinc/23/68/03/501236803.db2.gz JRCDKTDGIJNLCS-GTMAMOSYSA-N 2 1 353.554 3.459 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccncc1 ZINC000453057400 501259696 /nfs/dbraw/zinc/25/96/96/501259696.db2.gz DYWHWEGMINAXHT-JOCHJYFZSA-N 2 1 352.526 3.460 20 0 FGADMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108008 501270839 /nfs/dbraw/zinc/27/08/39/501270839.db2.gz JZKDOEKQBDLUQQ-NHCUHLMSSA-N 2 1 357.542 3.442 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455325206 501271824 /nfs/dbraw/zinc/27/18/24/501271824.db2.gz FJKKBKQKLLUFTB-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000455343139 501276814 /nfs/dbraw/zinc/27/68/14/501276814.db2.gz YSZKPFLNRHXUPO-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000455343139 501276817 /nfs/dbraw/zinc/27/68/17/501276817.db2.gz YSZKPFLNRHXUPO-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000455343139 501276819 /nfs/dbraw/zinc/27/68/19/501276819.db2.gz YSZKPFLNRHXUPO-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]31)CC2 ZINC000453140013 501277359 /nfs/dbraw/zinc/27/73/59/501277359.db2.gz FUVRKNHFSGADDB-XMGTWHOFSA-N 2 1 350.510 3.300 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC(C)(C)C[NH+](C)C)C1 ZINC000457658701 501280262 /nfs/dbraw/zinc/28/02/62/501280262.db2.gz RKGSFGPBLQQXPF-QGZVFWFLSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000457670769 501283834 /nfs/dbraw/zinc/28/38/34/501283834.db2.gz OFUSLOAFCJXZGI-FQEVSTJZSA-N 2 1 360.546 3.153 20 0 FGADMP COC1([C@H](C)[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179615 501286489 /nfs/dbraw/zinc/28/64/89/501286489.db2.gz UYIFFJAICJPTRK-SVFBPWRDSA-N 2 1 360.542 3.461 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)CC2 ZINC000453205235 501290427 /nfs/dbraw/zinc/29/04/27/501290427.db2.gz SXQSUXBBFMRAKG-ANULTFPQSA-N 2 1 350.510 3.231 20 0 FGADMP CCc1ccccc1CC[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451527617 501313725 /nfs/dbraw/zinc/31/37/25/501313725.db2.gz KKBNMJBBFDVXJZ-NRFANRHFSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527617 501313727 /nfs/dbraw/zinc/31/37/27/501313727.db2.gz KKBNMJBBFDVXJZ-NRFANRHFSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527617 501313729 /nfs/dbraw/zinc/31/37/29/501313729.db2.gz KKBNMJBBFDVXJZ-NRFANRHFSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527617 501313731 /nfs/dbraw/zinc/31/37/31/501313731.db2.gz KKBNMJBBFDVXJZ-NRFANRHFSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527617 501313732 /nfs/dbraw/zinc/31/37/32/501313732.db2.gz KKBNMJBBFDVXJZ-NRFANRHFSA-N 2 1 371.569 3.058 20 0 FGADMP Cc1cc(NC(=O)CCn2cc[nH+]c2C(C)C)ccc1OCC[NH+](C)C ZINC000458205206 501392556 /nfs/dbraw/zinc/39/25/56/501392556.db2.gz YBRSIBAUXIOOQJ-UHFFFAOYSA-N 2 1 358.486 3.284 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000458495527 501458575 /nfs/dbraw/zinc/45/85/75/501458575.db2.gz MNFOHXSFVMMHPQ-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495527 501458577 /nfs/dbraw/zinc/45/85/77/501458577.db2.gz MNFOHXSFVMMHPQ-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495527 501458579 /nfs/dbraw/zinc/45/85/79/501458579.db2.gz MNFOHXSFVMMHPQ-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793583 501532886 /nfs/dbraw/zinc/53/28/86/501532886.db2.gz NNMHKNFPPWXSDI-PZJWPPBQSA-N 2 1 374.573 3.225 20 0 FGADMP CC[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CC1 ZINC000456789085 501598616 /nfs/dbraw/zinc/59/86/16/501598616.db2.gz IWKXSLFNDNEHDR-UHFFFAOYSA-N 2 1 365.905 3.236 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680691 501608051 /nfs/dbraw/zinc/60/80/51/501608051.db2.gz ZDSJNNLEZFRWKL-RBUKOAKNSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459326206 501631436 /nfs/dbraw/zinc/63/14/36/501631436.db2.gz WVFRFLHQDOELRW-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459326206 501631439 /nfs/dbraw/zinc/63/14/39/501631439.db2.gz WVFRFLHQDOELRW-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459326206 501631441 /nfs/dbraw/zinc/63/14/41/501631441.db2.gz WVFRFLHQDOELRW-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459330831 501632127 /nfs/dbraw/zinc/63/21/27/501632127.db2.gz ZVCZMROBCDYNFB-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330831 501632129 /nfs/dbraw/zinc/63/21/29/501632129.db2.gz ZVCZMROBCDYNFB-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330831 501632130 /nfs/dbraw/zinc/63/21/30/501632130.db2.gz ZVCZMROBCDYNFB-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccc(Br)cc1 ZINC000459425155 501652079 /nfs/dbraw/zinc/65/20/79/501652079.db2.gz RLOKEYCHBIHXIQ-ZDUSSCGKSA-N 2 1 353.304 3.433 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@H](C)O1 ZINC000459473921 501659995 /nfs/dbraw/zinc/65/99/95/501659995.db2.gz PKHRPBJHAXMKSY-CALCHBBNSA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@H](C)O1 ZINC000459473921 501659998 /nfs/dbraw/zinc/65/99/98/501659998.db2.gz PKHRPBJHAXMKSY-CALCHBBNSA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000467332279 501771912 /nfs/dbraw/zinc/77/19/12/501771912.db2.gz GNAZQJNMBMQVCU-INIZCTEOSA-N 2 1 371.491 3.500 20 0 FGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467337678 501773515 /nfs/dbraw/zinc/77/35/15/501773515.db2.gz FDEHTJVUUHBYCP-ZRGWGRIASA-N 2 1 350.478 3.301 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)[C@@H](C)C1 ZINC000467354152 501776016 /nfs/dbraw/zinc/77/60/16/501776016.db2.gz LXLPRQOALGCSGY-FCMAGTKHSA-N 2 1 352.563 3.308 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324323 501790783 /nfs/dbraw/zinc/79/07/83/501790783.db2.gz DLVAMUQMKYMNQN-LEWJYISDSA-N 2 1 369.484 3.209 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)c1ccccc1 ZINC000474324323 501790790 /nfs/dbraw/zinc/79/07/90/501790790.db2.gz DLVAMUQMKYMNQN-LEWJYISDSA-N 2 1 369.484 3.209 20 0 FGADMP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498267 501792310 /nfs/dbraw/zinc/79/23/10/501792310.db2.gz RZTDBLXWRHUFNS-VXKWHMMOSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000481498267 501792316 /nfs/dbraw/zinc/79/23/16/501792316.db2.gz RZTDBLXWRHUFNS-VXKWHMMOSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000481498267 501792319 /nfs/dbraw/zinc/79/23/19/501792319.db2.gz RZTDBLXWRHUFNS-VXKWHMMOSA-N 2 1 371.569 3.450 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000477926188 501831372 /nfs/dbraw/zinc/83/13/72/501831372.db2.gz KNSFOGLUZZYYDY-BDKRGJGYSA-N 2 1 360.542 3.491 20 0 FGADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485497690 501838599 /nfs/dbraw/zinc/83/85/99/501838599.db2.gz VWYHOGZPXSSTKF-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478001107 501851012 /nfs/dbraw/zinc/85/10/12/501851012.db2.gz YEVYOXPYMBPCTQ-QFIPXVFZSA-N 2 1 371.569 3.479 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000470974844 501878684 /nfs/dbraw/zinc/87/86/84/501878684.db2.gz FIHPUQYOVGYTOS-NHCUHLMSSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000470974844 501878688 /nfs/dbraw/zinc/87/86/88/501878688.db2.gz FIHPUQYOVGYTOS-NHCUHLMSSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974844 501878692 /nfs/dbraw/zinc/87/86/92/501878692.db2.gz FIHPUQYOVGYTOS-NHCUHLMSSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974844 501878694 /nfs/dbraw/zinc/87/86/94/501878694.db2.gz FIHPUQYOVGYTOS-NHCUHLMSSA-N 2 1 360.542 3.015 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460652961 501886085 /nfs/dbraw/zinc/88/60/85/501886085.db2.gz XQDUFRQYZIHUKV-RCCFBDPRSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460652961 501886090 /nfs/dbraw/zinc/88/60/90/501886090.db2.gz XQDUFRQYZIHUKV-RCCFBDPRSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460652961 501886093 /nfs/dbraw/zinc/88/60/93/501886093.db2.gz XQDUFRQYZIHUKV-RCCFBDPRSA-N 2 1 352.567 3.059 20 0 FGADMP CC(C)C[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021597 501932786 /nfs/dbraw/zinc/93/27/86/501932786.db2.gz KHKSAFBAEVWUFS-YSIASYRMSA-N 2 1 372.557 3.288 20 0 FGADMP CC[NH+]1CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000468030563 501935336 /nfs/dbraw/zinc/93/53/36/501935336.db2.gz QLMDVPBOYSHTDA-AZUAARDMSA-N 2 1 360.546 3.099 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1C ZINC000474802464 501958043 /nfs/dbraw/zinc/95/80/43/501958043.db2.gz RCIVQZGHBDOOHO-UGKANONSSA-N 2 1 358.526 3.464 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H]1C ZINC000474802464 501958048 /nfs/dbraw/zinc/95/80/48/501958048.db2.gz RCIVQZGHBDOOHO-UGKANONSSA-N 2 1 358.526 3.464 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917058 501958849 /nfs/dbraw/zinc/95/88/49/501958849.db2.gz ZNNWGWHTAXLSJI-APWZRJJASA-N 2 1 365.949 3.318 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460952289 501968478 /nfs/dbraw/zinc/96/84/78/501968478.db2.gz PBFKSSHOQNRMLF-XEVCZEQESA-N 2 1 366.594 3.449 20 0 FGADMP CC(C)(CNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000478410420 501972366 /nfs/dbraw/zinc/97/23/66/501972366.db2.gz VKAZERFVTNZQDU-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891762 501978885 /nfs/dbraw/zinc/97/88/85/501978885.db2.gz BXTNBQCWYAZTTM-YLJYHZDGSA-N 2 1 351.494 3.314 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000482135029 501985577 /nfs/dbraw/zinc/98/55/77/501985577.db2.gz HTMLVWUKIFDSHG-IMFGXOCKSA-N 2 1 363.521 3.321 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c(C[NH+](C)C)c1 ZINC000471382731 502005910 /nfs/dbraw/zinc/00/59/10/502005910.db2.gz ROUZZDNUOHXSCH-UHFFFAOYSA-N 2 1 351.494 3.444 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000471390048 502008766 /nfs/dbraw/zinc/00/87/66/502008766.db2.gz LUTPOJOGNHLMGQ-SFHVURJKSA-N 2 1 357.542 3.062 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000471390048 502008772 /nfs/dbraw/zinc/00/87/72/502008772.db2.gz LUTPOJOGNHLMGQ-SFHVURJKSA-N 2 1 357.542 3.062 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000471390048 502008777 /nfs/dbraw/zinc/00/87/77/502008777.db2.gz LUTPOJOGNHLMGQ-SFHVURJKSA-N 2 1 357.542 3.062 20 0 FGADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000482454618 502073314 /nfs/dbraw/zinc/07/33/14/502073314.db2.gz MMHTZANGKNKTGX-LJQANCHMSA-N 2 1 365.949 3.051 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(-c2ccccc2)c1 ZINC000482454443 502073563 /nfs/dbraw/zinc/07/35/63/502073563.db2.gz DOLWDGQJJZVFRG-GOSISDBHSA-N 2 1 351.494 3.168 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000461418311 502107031 /nfs/dbraw/zinc/10/70/31/502107031.db2.gz AZUMUIFNQFVVHS-VQIMIIECSA-N 2 1 363.933 3.277 20 0 FGADMP COc1ccc2oc([C@@H](C)[NH2+]CCCN3CCC[N@@H+](C)CC3)c(C)c2c1 ZINC000482569482 502113852 /nfs/dbraw/zinc/11/38/52/502113852.db2.gz VUNZGAPMYZBXMR-QGZVFWFLSA-N 2 1 359.514 3.428 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471845412 502152175 /nfs/dbraw/zinc/15/21/75/502152175.db2.gz OGAOZJCNKWEMOG-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000461719739 502178071 /nfs/dbraw/zinc/17/80/71/502178071.db2.gz CSCFPJFWSAZVJN-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@H](C)C2)cc1 ZINC000465196955 502212021 /nfs/dbraw/zinc/21/20/21/502212021.db2.gz QEMPJXXVJBGQOZ-PXNSSMCTSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000465196955 502212025 /nfs/dbraw/zinc/21/20/25/502212025.db2.gz QEMPJXXVJBGQOZ-PXNSSMCTSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000465196955 502212032 /nfs/dbraw/zinc/21/20/32/502212032.db2.gz QEMPJXXVJBGQOZ-PXNSSMCTSA-N 2 1 359.514 3.220 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280018 502213557 /nfs/dbraw/zinc/21/35/57/502213557.db2.gz JBOCCYWFTXSYID-BSDSXHPESA-N 2 1 364.534 3.271 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)c1 ZINC000468922333 502231607 /nfs/dbraw/zinc/23/16/07/502231607.db2.gz JOUYVDGYZZHRPE-JOCHJYFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+]2Cc2ccccc2)c1 ZINC000468922333 502231613 /nfs/dbraw/zinc/23/16/13/502231613.db2.gz JOUYVDGYZZHRPE-JOCHJYFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)c1 ZINC000468922333 502231618 /nfs/dbraw/zinc/23/16/18/502231618.db2.gz JOUYVDGYZZHRPE-JOCHJYFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)c1 ZINC000468922333 502231622 /nfs/dbraw/zinc/23/16/22/502231622.db2.gz JOUYVDGYZZHRPE-JOCHJYFZSA-N 2 1 365.521 3.418 20 0 FGADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000479367309 502235755 /nfs/dbraw/zinc/23/57/55/502235755.db2.gz ZACRZFZRXPMYHZ-PBHICJAKSA-N 2 1 367.331 3.218 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000482982201 502235843 /nfs/dbraw/zinc/23/58/43/502235843.db2.gz PVKQYPWKXNDLPI-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482982201 502235848 /nfs/dbraw/zinc/23/58/48/502235848.db2.gz PVKQYPWKXNDLPI-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482982201 502235854 /nfs/dbraw/zinc/23/58/54/502235854.db2.gz PVKQYPWKXNDLPI-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c3cccnc23)CC1 ZINC000475629489 502236795 /nfs/dbraw/zinc/23/67/95/502236795.db2.gz VIOHWYQKSFVLSX-UHFFFAOYSA-N 2 1 352.413 3.100 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139916 502245572 /nfs/dbraw/zinc/24/55/72/502245572.db2.gz IYJNOHFNAIKUMG-MSOLQXFVSA-N 2 1 371.525 3.163 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000461946412 502247627 /nfs/dbraw/zinc/24/76/27/502247627.db2.gz GSGLERPFHKTQBF-UXHICEINSA-N 2 1 360.546 3.195 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483053356 502257581 /nfs/dbraw/zinc/25/75/81/502257581.db2.gz HCKLFXPZOXFVLJ-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000472232998 502279651 /nfs/dbraw/zinc/27/96/51/502279651.db2.gz WCXORWOSEUPGCQ-GCJKJVERSA-N 2 1 369.553 3.245 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC[NH+]1[C@H](C)CCC[C@H]1C ZINC000469086369 502291626 /nfs/dbraw/zinc/29/16/26/502291626.db2.gz SSYSNNORANUNNH-KZNAEPCWSA-N 2 1 361.530 3.186 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300820 502306513 /nfs/dbraw/zinc/30/65/13/502306513.db2.gz YBYWNXAFAZBHCP-FUHWJXTLSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300820 502306520 /nfs/dbraw/zinc/30/65/20/502306520.db2.gz YBYWNXAFAZBHCP-FUHWJXTLSA-N 2 1 358.486 3.230 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000465581313 502315004 /nfs/dbraw/zinc/31/50/04/502315004.db2.gz YFZFBTOHVJIPRC-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000465581313 502315010 /nfs/dbraw/zinc/31/50/10/502315010.db2.gz YFZFBTOHVJIPRC-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000465581313 502315017 /nfs/dbraw/zinc/31/50/17/502315017.db2.gz YFZFBTOHVJIPRC-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)CC(C)C ZINC000465581043 502315561 /nfs/dbraw/zinc/31/55/61/502315561.db2.gz XKIXPHIIOMIBLT-RTBURBONSA-N 2 1 354.583 3.259 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000465614075 502325398 /nfs/dbraw/zinc/32/53/98/502325398.db2.gz YGNCYGJNVJYBSN-HXUWFJFHSA-N 2 1 364.578 3.062 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000465621207 502328368 /nfs/dbraw/zinc/32/83/68/502328368.db2.gz XXHDARMTYHCWON-LJQANCHMSA-N 2 1 374.573 3.402 20 0 FGADMP CC[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000465669269 502341308 /nfs/dbraw/zinc/34/13/08/502341308.db2.gz WJUSKEUDBXWUAU-GUDVDZBRSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1 ZINC000487082197 502351772 /nfs/dbraw/zinc/35/17/72/502351772.db2.gz FWZZOMWXFLKHFG-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000465743217 502366454 /nfs/dbraw/zinc/36/64/54/502366454.db2.gz PMCYLVWTIVQEAW-OBKDMQGPSA-N 2 1 364.578 3.010 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746201 502367694 /nfs/dbraw/zinc/36/76/94/502367694.db2.gz DWZNMIWRMUSDBZ-SVFBPWRDSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746201 502367701 /nfs/dbraw/zinc/36/77/01/502367701.db2.gz DWZNMIWRMUSDBZ-SVFBPWRDSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000465746201 502367707 /nfs/dbraw/zinc/36/77/07/502367707.db2.gz DWZNMIWRMUSDBZ-SVFBPWRDSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1C[C@H](OCC)C1(C)C ZINC000472600099 502397956 /nfs/dbraw/zinc/39/79/56/502397956.db2.gz XKQWHIVLAIFJEV-PMACEKPBSA-N 2 1 353.595 3.318 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1C ZINC000483494478 502411029 /nfs/dbraw/zinc/41/10/29/502411029.db2.gz ADIPZMYLHQZARA-SESVDKBCSA-N 2 1 372.557 3.338 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC[N@H+](C)C3CC3)c2c1C ZINC000472657587 502411811 /nfs/dbraw/zinc/41/18/11/502411811.db2.gz ZTCIGYWILVKIML-UHFFFAOYSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC[N@@H+](C)C3CC3)c2c1C ZINC000472657587 502411816 /nfs/dbraw/zinc/41/18/16/502411816.db2.gz ZTCIGYWILVKIML-UHFFFAOYSA-N 2 1 373.570 3.434 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427053 502412483 /nfs/dbraw/zinc/41/24/83/502412483.db2.gz XKSHAYDOQGFURA-LEWJYISDSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427053 502412486 /nfs/dbraw/zinc/41/24/86/502412486.db2.gz XKSHAYDOQGFURA-LEWJYISDSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427053 502412489 /nfs/dbraw/zinc/41/24/89/502412489.db2.gz XKSHAYDOQGFURA-LEWJYISDSA-N 2 1 374.573 3.174 20 0 FGADMP CCC(C)(C)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483511978 502416261 /nfs/dbraw/zinc/41/62/61/502416261.db2.gz KOCFQNOAXIPPGU-WOJBJXKFSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000465942618 502435332 /nfs/dbraw/zinc/43/53/32/502435332.db2.gz NJURYCNPTLGFBB-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466038653 502462602 /nfs/dbraw/zinc/46/26/02/502462602.db2.gz KVUDQYVHOOWDSX-DLBZAZTESA-N 2 1 366.575 3.084 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000466097769 502477592 /nfs/dbraw/zinc/47/75/92/502477592.db2.gz FZABBXCGIADOFO-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483753184 502483999 /nfs/dbraw/zinc/48/39/99/502483999.db2.gz YOAQIMOWQNDKTJ-SQNIBIBYSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483753184 502484003 /nfs/dbraw/zinc/48/40/03/502484003.db2.gz YOAQIMOWQNDKTJ-SQNIBIBYSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC000483753184 502484007 /nfs/dbraw/zinc/48/40/07/502484007.db2.gz YOAQIMOWQNDKTJ-SQNIBIBYSA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000476456408 502493365 /nfs/dbraw/zinc/49/33/65/502493365.db2.gz DCWOPRMOOYTESA-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483797782 502495434 /nfs/dbraw/zinc/49/54/34/502495434.db2.gz HBJHMYWYGFAXKN-FQEVSTJZSA-N 2 1 364.578 3.347 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007254 502497588 /nfs/dbraw/zinc/49/75/88/502497588.db2.gz GIUQVJKCZCRUPG-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000473007254 502497593 /nfs/dbraw/zinc/49/75/93/502497593.db2.gz GIUQVJKCZCRUPG-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000473007254 502497599 /nfs/dbraw/zinc/49/75/99/502497599.db2.gz GIUQVJKCZCRUPG-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008195 502498526 /nfs/dbraw/zinc/49/85/26/502498526.db2.gz ILWVBCWLLWXCEE-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480218930 502505052 /nfs/dbraw/zinc/50/50/52/502505052.db2.gz OMRPNQSFWLCOKS-OAHLLOKOSA-N 2 1 371.447 3.285 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000480263889 502517114 /nfs/dbraw/zinc/51/71/14/502517114.db2.gz ZKKQAIVRQUVSEQ-SIKLNZKXSA-N 2 1 370.541 3.158 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000476698634 502567515 /nfs/dbraw/zinc/56/75/15/502567515.db2.gz GAGAWAXOROSPHA-NRFANRHFSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469865751 502575264 /nfs/dbraw/zinc/57/52/64/502575264.db2.gz YZCIZYNBHKKHID-LPHOPBHVSA-N 2 1 363.933 3.037 20 0 FGADMP O[C@@H](CNc1cc[nH+]c2cc(Br)ccc12)C[NH+]1CCCCC1 ZINC000462791779 502576036 /nfs/dbraw/zinc/57/60/36/502576036.db2.gz RNIISEODSXFXJX-AWEZNQCLSA-N 2 1 364.287 3.256 20 0 FGADMP O[C@H](CNc1cc[nH+]c2cc(Br)ccc12)C[NH+]1CCCCC1 ZINC000462791780 502576318 /nfs/dbraw/zinc/57/63/18/502576318.db2.gz RNIISEODSXFXJX-CQSZACIVSA-N 2 1 364.287 3.256 20 0 FGADMP COCC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C[C@H]1C ZINC000462824992 502588411 /nfs/dbraw/zinc/58/84/11/502588411.db2.gz FMBNOSUDZPRUTG-CQSZACIVSA-N 2 1 365.424 3.302 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCc3ccccc3F)CC2)CC1 ZINC000469949407 502606933 /nfs/dbraw/zinc/60/69/33/502606933.db2.gz BQVDUZXZOKGPAE-UHFFFAOYSA-N 2 1 361.549 3.496 20 0 FGADMP C[N@@H+](CCc1ccccc1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469949407 502606937 /nfs/dbraw/zinc/60/69/37/502606937.db2.gz BQVDUZXZOKGPAE-UHFFFAOYSA-N 3 1 361.549 3.496 20 0 FGADMP C[N@H+](CCc1ccccc1F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000469949407 502606940 /nfs/dbraw/zinc/60/69/40/502606940.db2.gz BQVDUZXZOKGPAE-UHFFFAOYSA-N 3 1 361.549 3.496 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000462876224 502609321 /nfs/dbraw/zinc/60/93/21/502609321.db2.gz VROQZNWQIIHCFH-HSZRJFAPSA-N 2 1 365.521 3.330 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000462884354 502613208 /nfs/dbraw/zinc/61/32/08/502613208.db2.gz PKFCQLGMXPZSCG-QHCPKHFHSA-N 2 1 365.521 3.307 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600047 502617317 /nfs/dbraw/zinc/61/73/17/502617317.db2.gz HJBAYSZDQMAIQN-XMSQKQJNSA-N 2 1 365.521 3.437 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)c1ccccc1 ZINC000484317450 502622891 /nfs/dbraw/zinc/62/28/91/502622891.db2.gz WKQRQWXVUMPRBZ-OAQYLSRUSA-N 2 1 366.509 3.122 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2cc(-c3ccccc3)cs2)C1)N1CC[NH2+]CC1 ZINC000470021039 502632797 /nfs/dbraw/zinc/63/27/97/502632797.db2.gz PDXZUYVNENAGAH-SFHVURJKSA-N 2 1 369.534 3.059 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC2(OC)CCCCC2)CC1 ZINC000480658026 502634898 /nfs/dbraw/zinc/63/48/98/502634898.db2.gz JJQCTJUHGYPJDX-UHFFFAOYSA-N 2 1 359.558 3.263 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480677187 502639451 /nfs/dbraw/zinc/63/94/51/502639451.db2.gz PDAWTBPQJXECQY-SRUXOGRHSA-N 2 1 373.585 3.406 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000480763952 502664659 /nfs/dbraw/zinc/66/46/59/502664659.db2.gz WZFVMFBBQASBDO-FDFHNCONSA-N 2 1 367.622 3.470 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000463137479 502704480 /nfs/dbraw/zinc/70/44/80/502704480.db2.gz QZQIGPFNEDAFCY-GPQLQYNLSA-N 2 1 359.558 3.128 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000463137479 502704485 /nfs/dbraw/zinc/70/44/85/502704485.db2.gz QZQIGPFNEDAFCY-GPQLQYNLSA-N 2 1 359.558 3.128 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920722 502705809 /nfs/dbraw/zinc/70/58/09/502705809.db2.gz KHXCHEYTWZDMRQ-LEWJYISDSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000480920722 502705813 /nfs/dbraw/zinc/70/58/13/502705813.db2.gz KHXCHEYTWZDMRQ-LEWJYISDSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000480920722 502705817 /nfs/dbraw/zinc/70/58/17/502705817.db2.gz KHXCHEYTWZDMRQ-LEWJYISDSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225710 502712718 /nfs/dbraw/zinc/71/27/18/502712718.db2.gz WJZOGPNQIKCAGF-RBUKOAKNSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000477225710 502712727 /nfs/dbraw/zinc/71/27/27/502712727.db2.gz WJZOGPNQIKCAGF-RBUKOAKNSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000477225710 502712734 /nfs/dbraw/zinc/71/27/34/502712734.db2.gz WJZOGPNQIKCAGF-RBUKOAKNSA-N 2 1 366.594 3.307 20 0 FGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CS1 ZINC000488440116 502714534 /nfs/dbraw/zinc/71/45/34/502714534.db2.gz IXDLBXGNEUYMBR-HBMCJLEFSA-N 2 1 361.599 3.485 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000477248668 502718774 /nfs/dbraw/zinc/71/87/74/502718774.db2.gz LPKURXWMJCLPFB-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)C)CC2)C1 ZINC000477248668 502718778 /nfs/dbraw/zinc/71/87/78/502718778.db2.gz LPKURXWMJCLPFB-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)C)CC2)C1 ZINC000477248668 502718783 /nfs/dbraw/zinc/71/87/83/502718783.db2.gz LPKURXWMJCLPFB-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487332 502729383 /nfs/dbraw/zinc/72/93/83/502729383.db2.gz ZIWRNIRDTCLWPM-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000481039582 502737884 /nfs/dbraw/zinc/73/78/84/502737884.db2.gz RRHVKWRBSZKEAU-ANULTFPQSA-N 2 1 353.595 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000481039588 502738313 /nfs/dbraw/zinc/73/83/13/502738313.db2.gz RRWNIUDXHLALSB-KDURUIRLSA-N 2 1 358.574 3.392 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000470373407 502754103 /nfs/dbraw/zinc/75/41/03/502754103.db2.gz LSIIACGOCRLVBR-RBUKOAKNSA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000470373407 502754105 /nfs/dbraw/zinc/75/41/05/502754105.db2.gz LSIIACGOCRLVBR-RBUKOAKNSA-N 2 1 355.869 3.118 20 0 FGADMP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473957591 502761834 /nfs/dbraw/zinc/76/18/34/502761834.db2.gz HOHHGFXCXFXHQB-UEXGIBASSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957591 502761839 /nfs/dbraw/zinc/76/18/39/502761839.db2.gz HOHHGFXCXFXHQB-UEXGIBASSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957591 502761844 /nfs/dbraw/zinc/76/18/44/502761844.db2.gz HOHHGFXCXFXHQB-UEXGIBASSA-N 2 1 372.557 3.336 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[C@@H](C)C[C@@H]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000481164820 502770772 /nfs/dbraw/zinc/77/07/72/502770772.db2.gz HYKXDIDUCZOMJZ-SQAAOVBZSA-N 2 1 357.542 3.180 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481168963 502771456 /nfs/dbraw/zinc/77/14/56/502771456.db2.gz FGMXDTPVCKCOFU-KNQAVFIVSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000481168963 502771463 /nfs/dbraw/zinc/77/14/63/502771463.db2.gz FGMXDTPVCKCOFU-KNQAVFIVSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481177708 502774537 /nfs/dbraw/zinc/77/45/37/502774537.db2.gz DYZNOWDGJUPBMK-UGKGYDQZSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481177708 502774542 /nfs/dbraw/zinc/77/45/42/502774542.db2.gz DYZNOWDGJUPBMK-UGKGYDQZSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177984 502774564 /nfs/dbraw/zinc/77/45/64/502774564.db2.gz FJKHTVZANWBRQK-JBYIUTFZSA-N 2 1 369.553 3.276 20 0 FGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177984 502774570 /nfs/dbraw/zinc/77/45/70/502774570.db2.gz FJKHTVZANWBRQK-JBYIUTFZSA-N 2 1 369.553 3.276 20 0 FGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[NH+](C)C ZINC000467058440 502775069 /nfs/dbraw/zinc/77/50/69/502775069.db2.gz PYSAMMMQIVXKGU-HNNXBMFYSA-N 2 1 356.308 3.035 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000481186549 502777599 /nfs/dbraw/zinc/77/75/99/502777599.db2.gz DKIYRFRSNZTNNW-BNDYYXHWSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000481186549 502777606 /nfs/dbraw/zinc/77/76/06/502777606.db2.gz DKIYRFRSNZTNNW-BNDYYXHWSA-N 2 1 357.542 3.276 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474019712 502781645 /nfs/dbraw/zinc/78/16/45/502781645.db2.gz XASHFDDACFODDB-GHTZIAJQSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474019712 502781647 /nfs/dbraw/zinc/78/16/47/502781647.db2.gz XASHFDDACFODDB-GHTZIAJQSA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474019712 502781648 /nfs/dbraw/zinc/78/16/48/502781648.db2.gz XASHFDDACFODDB-GHTZIAJQSA-N 2 1 372.557 3.338 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000470476546 502789012 /nfs/dbraw/zinc/78/90/12/502789012.db2.gz ZITWOOWEEKXJNK-OAQYLSRUSA-N 2 1 374.573 3.459 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474049479 502790130 /nfs/dbraw/zinc/79/01/30/502790130.db2.gz YXYPEWLMUIWVMJ-XPWALMASSA-N 2 1 371.569 3.119 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000470481056 502790104 /nfs/dbraw/zinc/79/01/04/502790104.db2.gz ZOVZSRWCORRSEU-HXUWFJFHSA-N 2 1 374.573 3.411 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000470481056 502790108 /nfs/dbraw/zinc/79/01/08/502790108.db2.gz ZOVZSRWCORRSEU-HXUWFJFHSA-N 2 1 374.573 3.411 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)co2)cc1 ZINC000602878361 506334984 /nfs/dbraw/zinc/33/49/84/506334984.db2.gz QJYWMKLFFROWTO-UHFFFAOYSA-N 2 1 369.465 3.046 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085889 502804228 /nfs/dbraw/zinc/80/42/28/502804228.db2.gz ZVICCYWKXFDWHB-APWZRJJASA-N 2 1 352.469 3.427 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085889 502804231 /nfs/dbraw/zinc/80/42/31/502804231.db2.gz ZVICCYWKXFDWHB-APWZRJJASA-N 2 1 352.469 3.427 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085890 502804574 /nfs/dbraw/zinc/80/45/74/502804574.db2.gz ZVICCYWKXFDWHB-LPHOPBHVSA-N 2 1 352.469 3.427 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085890 502804579 /nfs/dbraw/zinc/80/45/79/502804579.db2.gz ZVICCYWKXFDWHB-LPHOPBHVSA-N 2 1 352.469 3.427 20 0 FGADMP CC[C@H](OCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013717 506336134 /nfs/dbraw/zinc/33/61/34/506336134.db2.gz SUWMVKMSUSFMNI-YADHBBJMSA-N 2 1 359.558 3.255 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)cc1 ZINC000495696489 502858369 /nfs/dbraw/zinc/85/83/69/502858369.db2.gz LOLVUNWWEKWYDI-OALUTQOASA-N 2 1 363.571 3.036 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500784935 502863360 /nfs/dbraw/zinc/86/33/60/502863360.db2.gz FFKKWSKSQXKDCR-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000500855362 502878957 /nfs/dbraw/zinc/87/89/57/502878957.db2.gz AIJDZONHRATYMO-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033395 502916820 /nfs/dbraw/zinc/91/68/20/502916820.db2.gz CRQHNYXXLDRHOK-VAMGGRTRSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033395 502916825 /nfs/dbraw/zinc/91/68/25/502916825.db2.gz CRQHNYXXLDRHOK-VAMGGRTRSA-N 2 1 374.525 3.325 20 0 FGADMP C[N@@H+](CC[S@](=O)c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048782 502922491 /nfs/dbraw/zinc/92/24/91/502922491.db2.gz XMUVFYKQUUSJPK-VWLOTQADSA-N 2 1 357.523 3.038 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501069425 502927172 /nfs/dbraw/zinc/92/71/72/502927172.db2.gz PJNCQKFATKEVCZ-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)CC1 ZINC000505545646 502931982 /nfs/dbraw/zinc/93/19/82/502931982.db2.gz VXSCMCCUHIFHKH-LJQANCHMSA-N 2 1 358.530 3.032 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000497387553 502945675 /nfs/dbraw/zinc/94/56/75/502945675.db2.gz KNSFOGLUZZYYDY-UVUJQTEASA-N 2 1 360.542 3.491 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000513544627 502963492 /nfs/dbraw/zinc/96/34/92/502963492.db2.gz KNMGKBPJEDGSEU-XLIONFOSSA-N 2 1 351.494 3.176 20 0 FGADMP c1ccc(N2CCN(CCC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699675 502971156 /nfs/dbraw/zinc/97/11/56/502971156.db2.gz RTPGPSFVUQBMLY-QFIPXVFZSA-N 2 1 370.585 3.007 20 0 FGADMP c1ccc(N2CCN(CCC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699675 502971159 /nfs/dbraw/zinc/97/11/59/502971159.db2.gz RTPGPSFVUQBMLY-QFIPXVFZSA-N 2 1 370.585 3.007 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489522681 502978222 /nfs/dbraw/zinc/97/82/22/502978222.db2.gz GGUKAUPHZNNHDL-QFIPXVFZSA-N 2 1 371.569 3.396 20 0 FGADMP CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)sc1C ZINC000505822914 502993640 /nfs/dbraw/zinc/99/36/40/502993640.db2.gz DMIWJFKHYPIYQJ-GOSISDBHSA-N 2 1 365.587 3.497 20 0 FGADMP CC(C)C(=O)NCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513679233 502998901 /nfs/dbraw/zinc/99/89/01/502998901.db2.gz VRTYUPDKLSKVJK-PCCBWWKXSA-N 2 1 357.542 3.039 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713835 503007114 /nfs/dbraw/zinc/00/71/14/503007114.db2.gz UQWDBYJZEPUOGU-VABKMULXSA-N 3 1 370.585 3.051 20 0 FGADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000513713835 503007118 /nfs/dbraw/zinc/00/71/18/503007118.db2.gz UQWDBYJZEPUOGU-VABKMULXSA-N 2 1 370.585 3.051 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000513713837 503007632 /nfs/dbraw/zinc/00/76/32/503007632.db2.gz UQWDBYJZEPUOGU-XPWALMASSA-N 3 1 370.585 3.051 20 0 FGADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000513713837 503007636 /nfs/dbraw/zinc/00/76/36/503007636.db2.gz UQWDBYJZEPUOGU-XPWALMASSA-N 2 1 370.585 3.051 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501494161 503020067 /nfs/dbraw/zinc/02/00/67/503020067.db2.gz FUDRNCQQXDTVLB-JZXOWHBKSA-N 2 1 366.575 3.018 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000501495609 503021810 /nfs/dbraw/zinc/02/18/10/503021810.db2.gz PGWRDVOKZZYBLL-GOSISDBHSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504650 503023388 /nfs/dbraw/zinc/02/33/88/503023388.db2.gz RYPMLHLEPKZBOC-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501518346 503027847 /nfs/dbraw/zinc/02/78/47/503027847.db2.gz SAESUNJCNWCAQK-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@H]1C ZINC000501532202 503030629 /nfs/dbraw/zinc/03/06/29/503030629.db2.gz NARIMQZTUNZJPA-MSOLQXFVSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000501532202 503030633 /nfs/dbraw/zinc/03/06/33/503030633.db2.gz NARIMQZTUNZJPA-MSOLQXFVSA-N 2 1 352.567 3.203 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000501550990 503035875 /nfs/dbraw/zinc/03/58/75/503035875.db2.gz MEBHAPUNWUHKNE-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000489801618 503038350 /nfs/dbraw/zinc/03/83/50/503038350.db2.gz PYDMEDVLNVSMDG-AWEZNQCLSA-N 2 1 358.313 3.155 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489801618 503038354 /nfs/dbraw/zinc/03/83/54/503038354.db2.gz PYDMEDVLNVSMDG-AWEZNQCLSA-N 2 1 358.313 3.155 20 0 FGADMP C[N@H+](CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000501601069 503047116 /nfs/dbraw/zinc/04/71/16/503047116.db2.gz IYTCAFWSNRSOND-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000501601069 503047121 /nfs/dbraw/zinc/04/71/21/503047121.db2.gz IYTCAFWSNRSOND-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP NC(=O)c1ccc(-c2nc(C[N@H+](CCC[NH3+])CC3CCCC3)cs2)cc1 ZINC000489939446 503070876 /nfs/dbraw/zinc/07/08/76/503070876.db2.gz BXOUMRHNRDCQKV-UHFFFAOYSA-N 2 1 372.538 3.250 20 0 FGADMP NC(=O)c1ccc(-c2nc(C[N@@H+](CCC[NH3+])CC3CCCC3)cs2)cc1 ZINC000489939446 503070878 /nfs/dbraw/zinc/07/08/78/503070878.db2.gz BXOUMRHNRDCQKV-UHFFFAOYSA-N 2 1 372.538 3.250 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000514098157 503086901 /nfs/dbraw/zinc/08/69/01/503086901.db2.gz DRQKDGOYCSJGIU-NJYVYQBISA-N 3 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000514098157 503086905 /nfs/dbraw/zinc/08/69/05/503086905.db2.gz DRQKDGOYCSJGIU-NJYVYQBISA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000514098157 503086908 /nfs/dbraw/zinc/08/69/08/503086908.db2.gz DRQKDGOYCSJGIU-NJYVYQBISA-N 2 1 359.558 3.370 20 0 FGADMP C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305150 503089013 /nfs/dbraw/zinc/08/90/13/503089013.db2.gz DLIIYFNOJJFHCG-QWFCFKBJSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000510305150 503089016 /nfs/dbraw/zinc/08/90/16/503089016.db2.gz DLIIYFNOJJFHCG-QWFCFKBJSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000510305150 503089020 /nfs/dbraw/zinc/08/90/20/503089020.db2.gz DLIIYFNOJJFHCG-QWFCFKBJSA-N 2 1 372.557 3.069 20 0 FGADMP CCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000514129850 503094821 /nfs/dbraw/zinc/09/48/21/503094821.db2.gz CMKHDQXJHYWROY-KRWDZBQOSA-N 2 1 371.447 3.300 20 0 FGADMP COC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501876495 503099553 /nfs/dbraw/zinc/09/95/53/503099553.db2.gz NPTDFFZHVBSMKQ-FQEVSTJZSA-N 2 1 367.965 3.375 20 0 FGADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000510384500 503103950 /nfs/dbraw/zinc/10/39/50/503103950.db2.gz MQRALRNIZQCZSM-HZPDHXFCSA-N 2 1 357.498 3.345 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472750 503122789 /nfs/dbraw/zinc/12/27/89/503122789.db2.gz USSMJMOROVXYMF-RBBKRZOGSA-N 2 1 371.569 3.322 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCCC23CCOCC3)[C@@H](c2ccccc2)C1 ZINC000502249701 503169536 /nfs/dbraw/zinc/16/95/36/503169536.db2.gz OEZVXGGLWNOFBE-YADHBBJMSA-N 2 1 371.569 3.304 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510688009 503172756 /nfs/dbraw/zinc/17/27/56/503172756.db2.gz PJNSVQOLMWHCGJ-WMZOPIPTSA-N 2 1 367.331 3.119 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929531 503195967 /nfs/dbraw/zinc/19/59/67/503195967.db2.gz GCZAMODEXHFBLJ-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600029 503223835 /nfs/dbraw/zinc/22/38/35/503223835.db2.gz ZYSOFHQPVRNKIN-JOCHJYFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600029 503223839 /nfs/dbraw/zinc/22/38/39/503223839.db2.gz ZYSOFHQPVRNKIN-JOCHJYFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000498600029 503223843 /nfs/dbraw/zinc/22/38/43/503223843.db2.gz ZYSOFHQPVRNKIN-JOCHJYFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490775989 503226458 /nfs/dbraw/zinc/22/64/58/503226458.db2.gz ZBALNUVOGPSSHK-VLCRHTCISA-N 2 1 365.521 3.316 20 0 FGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490775989 503226463 /nfs/dbraw/zinc/22/64/63/503226463.db2.gz ZBALNUVOGPSSHK-VLCRHTCISA-N 2 1 365.521 3.316 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000507090686 503228346 /nfs/dbraw/zinc/22/83/46/503228346.db2.gz VDLTYOKUNBODFZ-PMACEKPBSA-N 2 1 360.546 3.061 20 0 FGADMP CCCN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000514937507 503231446 /nfs/dbraw/zinc/23/14/46/503231446.db2.gz OGYOZVGWPFEWSS-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NCC[NH+](C)C3CC3)cc2)C1 ZINC000490863603 503237988 /nfs/dbraw/zinc/23/79/88/503237988.db2.gz UMZKEDZFRXCVRW-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC[N@H+](C)C3CC3)cc2)C1 ZINC000490863603 503237991 /nfs/dbraw/zinc/23/79/91/503237991.db2.gz UMZKEDZFRXCVRW-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](C)C3CC3)cc2)C1 ZINC000490863603 503237992 /nfs/dbraw/zinc/23/79/92/503237992.db2.gz UMZKEDZFRXCVRW-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc(C)n(C)n3)CC2)cs1 ZINC000502707364 503255287 /nfs/dbraw/zinc/25/52/87/503255287.db2.gz DEFAILYBFYPPBT-OAHLLOKOSA-N 2 1 361.559 3.310 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCOC)CC1 ZINC000502706709 503255336 /nfs/dbraw/zinc/25/53/36/503255336.db2.gz IJTZBBUPOXBXFU-KNQAVFIVSA-N 2 1 359.558 3.119 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CCC=C(c4ccco4)C3)c2cc1C ZINC000511108828 503256551 /nfs/dbraw/zinc/25/65/51/503256551.db2.gz QPFYLLQKMSSNOV-SFHVURJKSA-N 2 1 351.450 3.396 20 0 FGADMP O[C@@H](COc1ccccc1F)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060362 503267564 /nfs/dbraw/zinc/26/75/64/503267564.db2.gz WPHCXGCSRZGJRA-RTBURBONSA-N 2 1 364.505 3.153 20 0 FGADMP O[C@@H](COc1ccccc1F)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491060362 503267568 /nfs/dbraw/zinc/26/75/68/503267568.db2.gz WPHCXGCSRZGJRA-RTBURBONSA-N 2 1 364.505 3.153 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[N@@H+](C)C1CC1 ZINC000502797493 503274980 /nfs/dbraw/zinc/27/49/80/503274980.db2.gz YMNMAOJZTNEEGV-MSOLQXFVSA-N 2 1 372.557 3.432 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502810667 503278423 /nfs/dbraw/zinc/27/84/23/503278423.db2.gz APJGUXZIGRZVHA-KRWDZBQOSA-N 2 1 369.513 3.154 20 0 FGADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccsc21 ZINC000491197623 503285537 /nfs/dbraw/zinc/28/55/37/503285537.db2.gz FJBXCTTXKARQCE-FQEVSTJZSA-N 2 1 353.491 3.370 20 0 FGADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccsc21 ZINC000491197623 503285541 /nfs/dbraw/zinc/28/55/41/503285541.db2.gz FJBXCTTXKARQCE-FQEVSTJZSA-N 2 1 353.491 3.370 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000502865425 503292712 /nfs/dbraw/zinc/29/27/12/503292712.db2.gz YXIIVJPAHSWIOS-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1cc(F)cc([C@@]2(F)CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000502886621 503298900 /nfs/dbraw/zinc/29/89/00/503298900.db2.gz HKLWLEVGRADMDE-OAQYLSRUSA-N 2 1 365.512 3.421 20 0 FGADMP Cc1cc(F)cc([C@@]2(F)CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000502886621 503298903 /nfs/dbraw/zinc/29/89/03/503298903.db2.gz HKLWLEVGRADMDE-OAQYLSRUSA-N 2 1 365.512 3.421 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000502884863 503298971 /nfs/dbraw/zinc/29/89/71/503298971.db2.gz LGFQYABUHHPAMP-SVFBPWRDSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000502884863 503298974 /nfs/dbraw/zinc/29/89/74/503298974.db2.gz LGFQYABUHHPAMP-SVFBPWRDSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000502884863 503298977 /nfs/dbraw/zinc/29/89/77/503298977.db2.gz LGFQYABUHHPAMP-SVFBPWRDSA-N 2 1 357.542 3.372 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000515276501 503305714 /nfs/dbraw/zinc/30/57/14/503305714.db2.gz YQHUKKNXSGXCRR-AWEZNQCLSA-N 2 1 373.570 3.111 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2nc3sc4c(c3c(N)n2)CCCC4)CC1 ZINC000515276501 503305717 /nfs/dbraw/zinc/30/57/17/503305717.db2.gz YQHUKKNXSGXCRR-AWEZNQCLSA-N 2 1 373.570 3.111 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000515290440 503306813 /nfs/dbraw/zinc/30/68/13/503306813.db2.gz UAGBDAWBARDOBI-MSOLQXFVSA-N 2 1 364.534 3.082 20 0 FGADMP CCC[N@H+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511380982 503310180 /nfs/dbraw/zinc/31/01/80/503310180.db2.gz STOWNMNQNRQREH-RTBURBONSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[N@@H+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511380982 503310186 /nfs/dbraw/zinc/31/01/86/503310186.db2.gz STOWNMNQNRQREH-RTBURBONSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000511380982 503310191 /nfs/dbraw/zinc/31/01/91/503310191.db2.gz STOWNMNQNRQREH-RTBURBONSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000511380982 503310195 /nfs/dbraw/zinc/31/01/95/503310195.db2.gz STOWNMNQNRQREH-RTBURBONSA-N 2 1 353.938 3.033 20 0 FGADMP Cc1ncc(CNCc2cc3ccccc3n(C)c2=O)n1-c1ccccc1 ZINC000491472376 503311093 /nfs/dbraw/zinc/31/10/93/503311093.db2.gz UGKJVIZIOHLVHX-UHFFFAOYSA-N 2 1 358.445 3.322 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511418874 503318142 /nfs/dbraw/zinc/31/81/42/503318142.db2.gz UWSUBCJMVGQNQO-RDGPPVDQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511418874 503318146 /nfs/dbraw/zinc/31/81/46/503318146.db2.gz UWSUBCJMVGQNQO-RDGPPVDQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418874 503318148 /nfs/dbraw/zinc/31/81/48/503318148.db2.gz UWSUBCJMVGQNQO-RDGPPVDQSA-N 2 1 364.578 3.202 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@](C)(CO)c1ccc(Br)cc1 ZINC000511552198 503341774 /nfs/dbraw/zinc/34/17/74/503341774.db2.gz GJFQLPQRJJAWRR-KRWDZBQOSA-N 2 1 366.303 3.232 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562918 503344060 /nfs/dbraw/zinc/34/40/60/503344060.db2.gz XFXRSVABDWITCM-PXNSSMCTSA-N 2 1 372.557 3.069 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](Nc3cc[nH+]c(C)c3Cl)C2)cc(OC)c1 ZINC000499153357 503344724 /nfs/dbraw/zinc/34/47/24/503344724.db2.gz AAPHCBYBFYISHU-OAHLLOKOSA-N 2 1 361.873 3.169 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000503093942 503345079 /nfs/dbraw/zinc/34/50/79/503345079.db2.gz ZSDJFZLYXKNKOR-HLAWJBBLSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480694 503347046 /nfs/dbraw/zinc/34/70/46/503347046.db2.gz UFNANGDMONGKON-IAGOWNOFSA-N 2 1 365.949 3.397 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000503385944 503398656 /nfs/dbraw/zinc/39/86/56/503398656.db2.gz KNMUSOPOFMRHSK-YTQUADARSA-N 2 1 360.546 3.097 20 0 FGADMP CC(C)(C)OC(=O)C1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000507947605 503401935 /nfs/dbraw/zinc/40/19/35/503401935.db2.gz DIYQOYBNGHKHAV-UHFFFAOYSA-N 2 1 366.546 3.122 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929252 503417377 /nfs/dbraw/zinc/41/73/77/503417377.db2.gz ZJPSEACYZWIMKX-LLHWWHOWSA-N 2 1 358.432 3.334 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000499508512 503421726 /nfs/dbraw/zinc/42/17/26/503421726.db2.gz OFCPJJFDVONSRS-KRWDZBQOSA-N 2 1 372.340 3.482 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000508198871 503451924 /nfs/dbraw/zinc/45/19/24/503451924.db2.gz ZGBXMUUBJNPCAL-SFHVURJKSA-N 2 1 351.922 3.277 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911312 503457223 /nfs/dbraw/zinc/45/72/23/503457223.db2.gz FWAOXDAMPLQTGL-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911312 503457228 /nfs/dbraw/zinc/45/72/28/503457228.db2.gz FWAOXDAMPLQTGL-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000493911312 503457234 /nfs/dbraw/zinc/45/72/34/503457234.db2.gz FWAOXDAMPLQTGL-CEWLAPEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695285 503459277 /nfs/dbraw/zinc/45/92/77/503459277.db2.gz RPZHFHZKXYJJOK-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695285 503459282 /nfs/dbraw/zinc/45/92/82/503459282.db2.gz RPZHFHZKXYJJOK-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695285 503459288 /nfs/dbraw/zinc/45/92/88/503459288.db2.gz RPZHFHZKXYJJOK-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)CCCC1)c1ccccc1 ZINC000503741730 503467596 /nfs/dbraw/zinc/46/75/96/503467596.db2.gz XURVCIDJSWBMDK-RTBURBONSA-N 2 1 372.557 3.386 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199876 503468636 /nfs/dbraw/zinc/46/86/36/503468636.db2.gz XSCOTVVIOLKSNP-CJNGLKHVSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199876 503468641 /nfs/dbraw/zinc/46/86/41/503468641.db2.gz XSCOTVVIOLKSNP-CJNGLKHVSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199876 503468644 /nfs/dbraw/zinc/46/86/44/503468644.db2.gz XSCOTVVIOLKSNP-CJNGLKHVSA-N 2 1 372.294 3.453 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000493990777 503471530 /nfs/dbraw/zinc/47/15/30/503471530.db2.gz DCOLTAFITWCBHW-HXUWFJFHSA-N 2 1 359.514 3.364 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C)CC1 ZINC000512158226 503472687 /nfs/dbraw/zinc/47/26/87/503472687.db2.gz BQWDVMGVOWGLAN-IBGZPJMESA-N 2 1 357.542 3.340 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000493997544 503472915 /nfs/dbraw/zinc/47/29/15/503472915.db2.gz ADCCYHNPEJXDDB-DUXKGJEZSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000493997544 503472916 /nfs/dbraw/zinc/47/29/16/503472916.db2.gz ADCCYHNPEJXDDB-DUXKGJEZSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508365753 503483004 /nfs/dbraw/zinc/48/30/04/503483004.db2.gz CUMDAIZNZBTLFI-BASYENTBSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508365753 503483010 /nfs/dbraw/zinc/48/30/10/503483010.db2.gz CUMDAIZNZBTLFI-BASYENTBSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215288 503488598 /nfs/dbraw/zinc/48/85/98/503488598.db2.gz ZXQCVFFNHNUERG-QUCCMNQESA-N 2 1 353.514 3.354 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215288 503488600 /nfs/dbraw/zinc/48/86/00/503488600.db2.gz ZXQCVFFNHNUERG-QUCCMNQESA-N 2 1 353.514 3.354 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215288 503488604 /nfs/dbraw/zinc/48/86/04/503488604.db2.gz ZXQCVFFNHNUERG-QUCCMNQESA-N 2 1 353.514 3.354 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000512215288 503488607 /nfs/dbraw/zinc/48/86/07/503488607.db2.gz ZXQCVFFNHNUERG-QUCCMNQESA-N 2 1 353.514 3.354 20 0 FGADMP CCCCCNC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512235127 503493787 /nfs/dbraw/zinc/49/37/87/503493787.db2.gz ACSILUWIJDDJNP-UGKGYDQZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000516394662 503506409 /nfs/dbraw/zinc/50/64/09/503506409.db2.gz HUDYETDREPOTCP-CBQOVEMMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000516612053 503549828 /nfs/dbraw/zinc/54/98/28/503549828.db2.gz RLKJJYRNIIXCTM-ADHNFCLRSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000516612053 503549832 /nfs/dbraw/zinc/54/98/32/503549832.db2.gz RLKJJYRNIIXCTM-ADHNFCLRSA-N 2 1 371.569 3.273 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000500154751 503566039 /nfs/dbraw/zinc/56/60/39/503566039.db2.gz HYKYIUHFZHHUCJ-FQEVSTJZSA-N 2 1 366.594 3.262 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000504434302 503573642 /nfs/dbraw/zinc/57/36/42/503573642.db2.gz MRSUFSBLEHNLBO-IBGZPJMESA-N 2 1 362.562 3.267 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000516770947 503583726 /nfs/dbraw/zinc/58/37/26/503583726.db2.gz UTRHQGMGQGEYRZ-CGTJXYLNSA-N 2 1 367.493 3.279 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000516770947 503583729 /nfs/dbraw/zinc/58/37/29/503583729.db2.gz UTRHQGMGQGEYRZ-CGTJXYLNSA-N 2 1 367.493 3.279 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672575 503589218 /nfs/dbraw/zinc/58/92/18/503589218.db2.gz ZZNXWGJCRLANFH-DJIMGWMZSA-N 2 1 371.447 3.188 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc([C@@H]3CCCO3)s2)CC1 ZINC000536664513 503668083 /nfs/dbraw/zinc/66/80/83/503668083.db2.gz ODQXHEXIWNYKNA-SFHVURJKSA-N 2 1 367.559 3.317 20 0 FGADMP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000532950923 503671096 /nfs/dbraw/zinc/67/10/96/503671096.db2.gz XSQJAKKZAHSHCW-KRWDZBQOSA-N 2 1 361.530 3.465 20 0 FGADMP CC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000532969619 503680708 /nfs/dbraw/zinc/68/07/08/503680708.db2.gz LUWGCYMHSXDGEQ-FQEVSTJZSA-N 2 1 357.542 3.409 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000536842827 503738315 /nfs/dbraw/zinc/73/83/15/503738315.db2.gz BEUSPFCMPGYHGK-QMMLZNLJSA-N 2 1 373.541 3.211 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000543393005 503751755 /nfs/dbraw/zinc/75/17/55/503751755.db2.gz NNVUJCLXYQBFRT-QHCPKHFHSA-N 2 1 370.512 3.416 20 0 FGADMP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543403439 503756917 /nfs/dbraw/zinc/75/69/17/503756917.db2.gz BKWXMUMYXHAURN-NRFANRHFSA-N 2 1 374.479 3.066 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543403439 503756920 /nfs/dbraw/zinc/75/69/20/503756920.db2.gz BKWXMUMYXHAURN-NRFANRHFSA-N 2 1 374.479 3.066 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517541701 503767398 /nfs/dbraw/zinc/76/73/98/503767398.db2.gz QOOUNNPAJXJRMB-ICSRJNTNSA-N 2 1 372.557 3.386 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000543596211 503823404 /nfs/dbraw/zinc/82/34/04/503823404.db2.gz UBTXLBSKVKFBQF-HNNXBMFYSA-N 2 1 360.461 3.317 20 0 FGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546653930 503825120 /nfs/dbraw/zinc/82/51/20/503825120.db2.gz FLVLNTGAUIYJMC-FXAWDEMLSA-N 2 1 373.566 3.353 20 0 FGADMP C[C@H](NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431529 503843179 /nfs/dbraw/zinc/84/31/79/503843179.db2.gz OTNWQZPBVWXQST-UONOGXRCSA-N 2 1 372.340 3.444 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000543702299 503858407 /nfs/dbraw/zinc/85/84/07/503858407.db2.gz VSZFYOJMDIZJQP-SJLPKXTDSA-N 2 1 362.518 3.312 20 0 FGADMP CC(C)(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293259 503871144 /nfs/dbraw/zinc/87/11/44/503871144.db2.gz KEQKVYYSQONRLL-PKOBYXMFSA-N 2 1 363.521 3.480 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)c(F)c1 ZINC000530223151 503882001 /nfs/dbraw/zinc/88/20/01/503882001.db2.gz NIEHTZAPBWHXCW-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccco1 ZINC000543762213 503883706 /nfs/dbraw/zinc/88/37/06/503883706.db2.gz ISNZKCFPDVAAFX-PABCKOPISA-N 2 1 368.521 3.321 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000527675865 503890190 /nfs/dbraw/zinc/89/01/90/503890190.db2.gz PLQOCXNVTNAYDH-OAQYLSRUSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000527675865 503890191 /nfs/dbraw/zinc/89/01/91/503890191.db2.gz PLQOCXNVTNAYDH-OAQYLSRUSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000527675865 503890192 /nfs/dbraw/zinc/89/01/92/503890192.db2.gz PLQOCXNVTNAYDH-OAQYLSRUSA-N 2 1 372.557 3.343 20 0 FGADMP C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527708773 503906536 /nfs/dbraw/zinc/90/65/36/503906536.db2.gz ATYFQEVGONXNII-FCHUYYIVSA-N 2 1 369.553 3.135 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@@]12CCCO2 ZINC000546870280 503909569 /nfs/dbraw/zinc/90/95/69/503909569.db2.gz FGYGTLRJLRUQMZ-CYRMBFQRSA-N 2 1 370.537 3.213 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913522 503936371 /nfs/dbraw/zinc/93/63/71/503936371.db2.gz SSNHUYWLFRSNHQ-MJGOQNOKSA-N 2 1 352.482 3.152 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000537648069 503990321 /nfs/dbraw/zinc/99/03/21/503990321.db2.gz QWVWIAMZHWEIOD-MRXNPFEDSA-N 2 1 370.921 3.290 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2Cl)C1 ZINC000537648069 503990328 /nfs/dbraw/zinc/99/03/28/503990328.db2.gz QWVWIAMZHWEIOD-MRXNPFEDSA-N 2 1 370.921 3.290 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000541109500 504010615 /nfs/dbraw/zinc/01/06/15/504010615.db2.gz KSPIBOMJGLXOKH-SFHVURJKSA-N 2 1 364.578 3.180 20 0 FGADMP C[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C[NH+](C)C ZINC000518584599 504021309 /nfs/dbraw/zinc/02/13/09/504021309.db2.gz HWSDHWLCWFACAH-GOSISDBHSA-N 2 1 353.510 3.246 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1C ZINC000528008702 504038463 /nfs/dbraw/zinc/03/84/63/504038463.db2.gz XAKAXRMFHXAZAM-WTNAPCKOSA-N 2 1 363.505 3.314 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000534129145 504049069 /nfs/dbraw/zinc/04/90/69/504049069.db2.gz QFNIIMHCXLLNTF-WCVDCBDPSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000534129145 504049076 /nfs/dbraw/zinc/04/90/76/504049076.db2.gz QFNIIMHCXLLNTF-WCVDCBDPSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129145 504049082 /nfs/dbraw/zinc/04/90/82/504049082.db2.gz QFNIIMHCXLLNTF-WCVDCBDPSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129145 504049089 /nfs/dbraw/zinc/04/90/89/504049089.db2.gz QFNIIMHCXLLNTF-WCVDCBDPSA-N 2 1 363.933 3.463 20 0 FGADMP Cc1ccc2cc[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4CC(=O)N(C)C)c2c1 ZINC000518763215 504056148 /nfs/dbraw/zinc/05/61/48/504056148.db2.gz WJPDPQWOUQFVBD-AYHJJNSGSA-N 2 1 352.482 3.039 20 0 FGADMP Cc1ccc2cc[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4CC(=O)N(C)C)c2c1 ZINC000518763215 504056154 /nfs/dbraw/zinc/05/61/54/504056154.db2.gz WJPDPQWOUQFVBD-AYHJJNSGSA-N 2 1 352.482 3.039 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000537991756 504105045 /nfs/dbraw/zinc/10/50/45/504105045.db2.gz SUDZQKHCVFZFJR-QFBILLFUSA-N 2 1 354.922 3.445 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000547633605 504162296 /nfs/dbraw/zinc/16/22/96/504162296.db2.gz RWCNBDJVZJKSBW-UNMCSNQZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000547633605 504162303 /nfs/dbraw/zinc/16/23/03/504162303.db2.gz RWCNBDJVZJKSBW-UNMCSNQZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000547633605 504162308 /nfs/dbraw/zinc/16/23/08/504162308.db2.gz RWCNBDJVZJKSBW-UNMCSNQZSA-N 2 1 372.557 3.071 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000538216928 504165446 /nfs/dbraw/zinc/16/54/46/504165446.db2.gz WKDPVXOTJOPWSB-YADHBBJMSA-N 2 1 354.469 3.430 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000538216928 504165450 /nfs/dbraw/zinc/16/54/50/504165450.db2.gz WKDPVXOTJOPWSB-YADHBBJMSA-N 2 1 354.469 3.430 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000541576636 504184086 /nfs/dbraw/zinc/18/40/86/504184086.db2.gz NVBFDMXIWWZNDY-MSOLQXFVSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000541576636 504184092 /nfs/dbraw/zinc/18/40/92/504184092.db2.gz NVBFDMXIWWZNDY-MSOLQXFVSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576636 504184098 /nfs/dbraw/zinc/18/40/98/504184098.db2.gz NVBFDMXIWWZNDY-MSOLQXFVSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576636 504184104 /nfs/dbraw/zinc/18/41/04/504184104.db2.gz NVBFDMXIWWZNDY-MSOLQXFVSA-N 2 1 366.933 3.052 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519361822 504202243 /nfs/dbraw/zinc/20/22/43/504202243.db2.gz FJNSQSRFRKEFDC-PKOBYXMFSA-N 2 1 361.505 3.028 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000531147520 504206991 /nfs/dbraw/zinc/20/69/91/504206991.db2.gz RYNAKEYCBIPIAN-QGZVFWFLSA-N 2 1 359.514 3.350 20 0 FGADMP C[C@H]1COCC[N@H+]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000519519203 504237197 /nfs/dbraw/zinc/23/71/97/504237197.db2.gz ZMBFUZNNSBQRQX-HNNXBMFYSA-N 2 1 372.431 3.269 20 0 FGADMP C[C@@H](NC(=O)CN1CCC(c2c[nH]cn2)CC1)c1ccc2c(c1)CCCC2 ZINC000519518348 504237227 /nfs/dbraw/zinc/23/72/27/504237227.db2.gz XALJDFHZDYFMOK-MRXNPFEDSA-N 2 1 366.509 3.345 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827580 504239316 /nfs/dbraw/zinc/23/93/16/504239316.db2.gz OTVSKPOCKSSOJG-MLDBQTBOSA-N 2 1 371.569 3.130 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCc2ccncc2)CC1 ZINC000541761585 504244749 /nfs/dbraw/zinc/24/47/49/504244749.db2.gz IDQUKEWIYBBFKH-UHFFFAOYSA-N 2 1 352.526 3.288 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296645 504255680 /nfs/dbraw/zinc/25/56/80/504255680.db2.gz YKWJXTSAODOLPJ-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000531296645 504255685 /nfs/dbraw/zinc/25/56/85/504255685.db2.gz YKWJXTSAODOLPJ-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000531296645 504255687 /nfs/dbraw/zinc/25/56/87/504255687.db2.gz YKWJXTSAODOLPJ-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2coc(C3CCCCC3)n2)CC1 ZINC000547945305 504268052 /nfs/dbraw/zinc/26/80/52/504268052.db2.gz KHBUTICIKJEVDX-UHFFFAOYSA-N 2 1 369.469 3.121 20 0 FGADMP c1ccc(C[NH+]2CCCC2)c(CNc2cc[nH+]c(N3CCCCC3)n2)c1 ZINC000541836340 504268644 /nfs/dbraw/zinc/26/86/44/504268644.db2.gz BROWIUFQWPPIDA-UHFFFAOYSA-N 2 1 351.498 3.097 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCc4ccc(C)cc43)CC2)CC1 ZINC000519712355 504312665 /nfs/dbraw/zinc/31/26/65/504312665.db2.gz TVRNJQRNWUAQII-UHFFFAOYSA-N 2 1 369.553 3.471 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000519736468 504320592 /nfs/dbraw/zinc/32/05/92/504320592.db2.gz SFHKCDOVAYEBFA-OALUTQOASA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000519736468 504320597 /nfs/dbraw/zinc/32/05/97/504320597.db2.gz SFHKCDOVAYEBFA-OALUTQOASA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000519736468 504320601 /nfs/dbraw/zinc/32/06/01/504320601.db2.gz SFHKCDOVAYEBFA-OALUTQOASA-N 2 1 360.546 3.021 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000531531955 504336254 /nfs/dbraw/zinc/33/62/54/504336254.db2.gz ICCYLYVRFFRPIF-NRFANRHFSA-N 2 1 370.585 3.325 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCN(C3CCCC3)C2)CC1 ZINC000531531955 504336256 /nfs/dbraw/zinc/33/62/56/504336256.db2.gz ICCYLYVRFFRPIF-NRFANRHFSA-N 2 1 370.585 3.325 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000531531989 504336311 /nfs/dbraw/zinc/33/63/11/504336311.db2.gz MXFMAJOIXNWMIS-HXUWFJFHSA-N 3 1 358.574 3.040 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000538717388 504339843 /nfs/dbraw/zinc/33/98/43/504339843.db2.gz XQWFPMUAOVTIRZ-IRLDBZIGSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000538717388 504339846 /nfs/dbraw/zinc/33/98/46/504339846.db2.gz XQWFPMUAOVTIRZ-IRLDBZIGSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000538717388 504339847 /nfs/dbraw/zinc/33/98/47/504339847.db2.gz XQWFPMUAOVTIRZ-IRLDBZIGSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000538717388 504339849 /nfs/dbraw/zinc/33/98/49/504339849.db2.gz XQWFPMUAOVTIRZ-IRLDBZIGSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000538717388 504339850 /nfs/dbraw/zinc/33/98/50/504339850.db2.gz XQWFPMUAOVTIRZ-IRLDBZIGSA-N 2 1 372.601 3.381 20 0 FGADMP C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156428 504351155 /nfs/dbraw/zinc/35/11/55/504351155.db2.gz ILUGMSKRNYBQJD-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000538796614 504374331 /nfs/dbraw/zinc/37/43/31/504374331.db2.gz MSBOVRMYLIWPMF-NVXWUHKLSA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538796614 504374338 /nfs/dbraw/zinc/37/43/38/504374338.db2.gz MSBOVRMYLIWPMF-NVXWUHKLSA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538796614 504374340 /nfs/dbraw/zinc/37/43/40/504374340.db2.gz MSBOVRMYLIWPMF-NVXWUHKLSA-N 2 1 372.465 3.144 20 0 FGADMP CC(C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCC(C)CC1 ZINC000519923810 504385298 /nfs/dbraw/zinc/38/52/98/504385298.db2.gz PPLHRCOVLWKYIW-LJQANCHMSA-N 2 1 366.594 3.259 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1)CC1CC1 ZINC000538857300 504394528 /nfs/dbraw/zinc/39/45/28/504394528.db2.gz HWOHZNRHWULFPN-UHFFFAOYSA-N 2 1 371.573 3.411 20 0 FGADMP CN(CCCn1ccnc1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528848971 504413116 /nfs/dbraw/zinc/41/31/16/504413116.db2.gz FQSQHHMFFZAXPP-GOSISDBHSA-N 2 1 360.889 3.050 20 0 FGADMP C[C@H]1CCC[C@](CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)([NH+](C)C)C1 ZINC000520192373 504431491 /nfs/dbraw/zinc/43/14/91/504431491.db2.gz OYCSAFZQFJMLJG-PXNSSMCTSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481926 504461094 /nfs/dbraw/zinc/46/10/94/504461094.db2.gz SUUCIGFAXAWCHJ-UTKZUKDTSA-N 2 1 354.542 3.470 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000548514030 504473927 /nfs/dbraw/zinc/47/39/27/504473927.db2.gz IDHUOOYGEVJWIL-FQEVSTJZSA-N 2 1 357.542 3.135 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(NC(=O)CC)c2)[C@H](C)C1 ZINC000531936865 504480010 /nfs/dbraw/zinc/48/00/10/504480010.db2.gz ITBCEWSRIWZVON-XLIONFOSSA-N 2 1 361.530 3.262 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@H](C)C1 ZINC000531936865 504480015 /nfs/dbraw/zinc/48/00/15/504480015.db2.gz ITBCEWSRIWZVON-XLIONFOSSA-N 2 1 361.530 3.262 20 0 FGADMP CS[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@@H]1[NH+](C)C ZINC000539198939 504496504 /nfs/dbraw/zinc/49/65/04/504496504.db2.gz XSPZIQWUAGHJCJ-HOTGVXAUSA-N 2 1 366.328 3.479 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000542465848 504500841 /nfs/dbraw/zinc/50/08/41/504500841.db2.gz MKXLZFZBSWSMPS-UTKZUKDTSA-N 2 1 351.498 3.024 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000535668755 504501258 /nfs/dbraw/zinc/50/12/58/504501258.db2.gz ZRLARJNTVHXYLJ-DLBZAZTESA-N 2 1 354.281 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000535668755 504501263 /nfs/dbraw/zinc/50/12/63/504501263.db2.gz ZRLARJNTVHXYLJ-DLBZAZTESA-N 2 1 354.281 3.479 20 0 FGADMP c1cc2c(nc[nH+]c2NCCc2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000539234175 504505338 /nfs/dbraw/zinc/50/53/38/504505338.db2.gz VXFCOLKGRSXBAC-UHFFFAOYSA-N 2 1 351.454 3.039 20 0 FGADMP COc1cccc2c(NCc3ccnc(OCC[NH+](C)C)c3)cc(C)[nH+]c12 ZINC000535685671 504506894 /nfs/dbraw/zinc/50/68/94/504506894.db2.gz HKZONGLGTGFMHF-UHFFFAOYSA-N 2 1 366.465 3.499 20 0 FGADMP O=C(c1cc(C[NH+]2CCCC2)on1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000520478399 504509334 /nfs/dbraw/zinc/50/93/34/504509334.db2.gz LRTLJIYIQBEPAN-UHFFFAOYSA-N 2 1 368.481 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000542487447 504510351 /nfs/dbraw/zinc/51/03/51/504510351.db2.gz XZOMGEWZXRFVBO-UEVCKROQSA-N 2 1 352.522 3.480 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000542495348 504513699 /nfs/dbraw/zinc/51/36/99/504513699.db2.gz VJVRPUHRVPFFLH-FYYLOGMGSA-N 2 1 373.585 3.326 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000542495348 504513705 /nfs/dbraw/zinc/51/37/05/504513705.db2.gz VJVRPUHRVPFFLH-FYYLOGMGSA-N 2 1 373.585 3.326 20 0 FGADMP O=C1C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000539293103 504520650 /nfs/dbraw/zinc/52/06/50/504520650.db2.gz UCZCBWBZLQAVLK-OAHLLOKOSA-N 2 1 365.880 3.048 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000529164378 504561367 /nfs/dbraw/zinc/56/13/67/504561367.db2.gz ALOQKFAAZNAGDQ-YPAWHYETSA-N 2 1 371.569 3.477 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000535900274 504576966 /nfs/dbraw/zinc/57/69/66/504576966.db2.gz LTWBAARQAMUDRU-PKOBYXMFSA-N 2 1 363.933 3.133 20 0 FGADMP C[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971089 504618940 /nfs/dbraw/zinc/61/89/40/504618940.db2.gz BUBCMRQHAKEZII-LEWJYISDSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@H](c1ccco1)N(C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000521198832 504675669 /nfs/dbraw/zinc/67/56/69/504675669.db2.gz GFIKOMLPUUMVBD-ZWKOTPCHSA-N 2 1 355.482 3.178 20 0 FGADMP C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546050979 504689136 /nfs/dbraw/zinc/68/91/36/504689136.db2.gz BVMDVDKDHJPWOX-QUCCMNQESA-N 2 1 365.525 3.211 20 0 FGADMP C[C@@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546050979 504689141 /nfs/dbraw/zinc/68/91/41/504689141.db2.gz BVMDVDKDHJPWOX-QUCCMNQESA-N 2 1 365.525 3.211 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2scnc2C2CCCC2)CC1 ZINC000546059877 504693927 /nfs/dbraw/zinc/69/39/27/504693927.db2.gz BZNOBJFQMCUVRQ-UHFFFAOYSA-N 2 1 371.510 3.200 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819342 504700800 /nfs/dbraw/zinc/70/08/00/504700800.db2.gz ZPURMEYUPNAQLA-PBHICJAKSA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819342 504700805 /nfs/dbraw/zinc/70/08/05/504700805.db2.gz ZPURMEYUPNAQLA-PBHICJAKSA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819342 504700808 /nfs/dbraw/zinc/70/08/08/504700808.db2.gz ZPURMEYUPNAQLA-PBHICJAKSA-N 2 1 374.481 3.390 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819343 504701107 /nfs/dbraw/zinc/70/11/07/504701107.db2.gz ZPURMEYUPNAQLA-RHSMWYFYSA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819343 504701110 /nfs/dbraw/zinc/70/11/10/504701110.db2.gz ZPURMEYUPNAQLA-RHSMWYFYSA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@H](C)C1 ZINC000539819343 504701114 /nfs/dbraw/zinc/70/11/14/504701114.db2.gz ZPURMEYUPNAQLA-RHSMWYFYSA-N 2 1 374.481 3.390 20 0 FGADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000539857857 504719156 /nfs/dbraw/zinc/71/91/56/504719156.db2.gz AJNUUBXDHAHZKR-QFUCXCTJSA-N 2 1 357.542 3.379 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]3COCC[C@@H]32)CC1 ZINC000539890770 504731286 /nfs/dbraw/zinc/73/12/86/504731286.db2.gz MMINEEQLQZNTHB-IRLDBZIGSA-N 2 1 357.542 3.220 20 0 FGADMP O[C@]1(CNCc2cccc(-c3ccccn3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000532672338 504731931 /nfs/dbraw/zinc/73/19/31/504731931.db2.gz JGQPDUAZTFARPV-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP O[C@]1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000532672338 504731938 /nfs/dbraw/zinc/73/19/38/504731938.db2.gz JGQPDUAZTFARPV-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP O[C@]1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000532672338 504731939 /nfs/dbraw/zinc/73/19/39/504731939.db2.gz JGQPDUAZTFARPV-DEOSSOPVSA-N 2 1 373.500 3.475 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000539899339 504735034 /nfs/dbraw/zinc/73/50/34/504735034.db2.gz DRFQOPILYOGUIM-TZIWHRDSSA-N 2 1 371.569 3.466 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCCC1 ZINC000521521746 504752478 /nfs/dbraw/zinc/75/24/78/504752478.db2.gz KLIJLPWKSJEOTA-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000559091513 504779498 /nfs/dbraw/zinc/77/94/98/504779498.db2.gz QBHSZUVVDXENNS-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091513 504779502 /nfs/dbraw/zinc/77/95/02/504779502.db2.gz QBHSZUVVDXENNS-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091513 504779504 /nfs/dbraw/zinc/77/95/04/504779504.db2.gz QBHSZUVVDXENNS-GHTZIAJQSA-N 2 1 357.542 3.420 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c(OC)c1 ZINC000565046903 504780656 /nfs/dbraw/zinc/78/06/56/504780656.db2.gz XFSNGVJULKUCOW-GASCZTMLSA-N 2 1 373.522 3.259 20 0 FGADMP C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000549343511 504796364 /nfs/dbraw/zinc/79/63/64/504796364.db2.gz CKTNHMWWZSHBIZ-YADHBBJMSA-N 2 1 363.505 3.110 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000556118992 504800529 /nfs/dbraw/zinc/80/05/29/504800529.db2.gz XAMIUZJTZVQBDU-SFHLNBCPSA-N 2 1 352.478 3.424 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000556118992 504800544 /nfs/dbraw/zinc/80/05/44/504800544.db2.gz XAMIUZJTZVQBDU-SFHLNBCPSA-N 2 1 352.478 3.424 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000549402796 504810692 /nfs/dbraw/zinc/81/06/92/504810692.db2.gz CAVXXYRHUKBCGM-OAQYLSRUSA-N 2 1 370.541 3.328 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CC(C)C1 ZINC000553039039 504811969 /nfs/dbraw/zinc/81/19/69/504811969.db2.gz FDORBBILULMDAE-SFHVURJKSA-N 2 1 357.542 3.408 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556202821 504819731 /nfs/dbraw/zinc/81/97/31/504819731.db2.gz DAHPAWSHHLOINU-ZIBCJSCZSA-N 2 1 357.542 3.039 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312920 504828655 /nfs/dbraw/zinc/82/86/55/504828655.db2.gz XRRPNXDMVHJZDY-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312920 504828657 /nfs/dbraw/zinc/82/86/57/504828657.db2.gz XRRPNXDMVHJZDY-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312920 504828658 /nfs/dbraw/zinc/82/86/58/504828658.db2.gz XRRPNXDMVHJZDY-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312920 504828660 /nfs/dbraw/zinc/82/86/60/504828660.db2.gz XRRPNXDMVHJZDY-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549475718 504832353 /nfs/dbraw/zinc/83/23/53/504832353.db2.gz HAKLABDKTIATLA-MSOLQXFVSA-N 2 1 350.869 3.409 20 0 FGADMP COc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)ccc1C ZINC000562502045 504838933 /nfs/dbraw/zinc/83/89/33/504838933.db2.gz LKLCHJWQOLTSEY-GOSISDBHSA-N 2 1 359.539 3.143 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CCCCc2cc(Br)ccc21)C[NH+]1CCCC1 ZINC000549523469 504841670 /nfs/dbraw/zinc/84/16/70/504841670.db2.gz ULAMKGICCROHGU-FUHWJXTLSA-N 2 1 367.331 3.263 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000553169929 504842943 /nfs/dbraw/zinc/84/29/43/504842943.db2.gz IPCRZVVUHGMTHP-HLAWJBBLSA-N 2 1 355.526 3.126 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(OC[C@H]4CCCO4)cc3)C2)CC1 ZINC000565356102 504863879 /nfs/dbraw/zinc/86/38/79/504863879.db2.gz TYOJBJWJYZLIDO-IFMALSPDSA-N 2 1 358.526 3.408 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000565425703 504884215 /nfs/dbraw/zinc/88/42/15/504884215.db2.gz GVBNJOWLGPGHBY-CYBMUJFWSA-N 2 1 353.894 3.045 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549737571 504885114 /nfs/dbraw/zinc/88/51/14/504885114.db2.gz OVIWBSZBSOIUDV-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549737571 504885117 /nfs/dbraw/zinc/88/51/17/504885117.db2.gz OVIWBSZBSOIUDV-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000559754011 504922876 /nfs/dbraw/zinc/92/28/76/504922876.db2.gz SRFVCNXDBALDCF-ROUUACIJSA-N 2 1 355.448 3.438 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000559754011 504922881 /nfs/dbraw/zinc/92/28/81/504922881.db2.gz SRFVCNXDBALDCF-ROUUACIJSA-N 2 1 355.448 3.438 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCO[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686135 504958535 /nfs/dbraw/zinc/95/85/35/504958535.db2.gz SLQMTUWQLFYXIH-VSKRKVRLSA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686135 504958539 /nfs/dbraw/zinc/95/85/39/504958539.db2.gz SLQMTUWQLFYXIH-VSKRKVRLSA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000565686135 504958542 /nfs/dbraw/zinc/95/85/42/504958542.db2.gz SLQMTUWQLFYXIH-VSKRKVRLSA-N 2 1 358.526 3.374 20 0 FGADMP CC[C@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550164792 504983087 /nfs/dbraw/zinc/98/30/87/504983087.db2.gz WTIBDEDDPOQFID-OAQYLSRUSA-N 2 1 359.558 3.476 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238090 504998211 /nfs/dbraw/zinc/99/82/11/504998211.db2.gz QHGNAHQMUDJHDU-SFHVURJKSA-N 2 1 369.431 3.452 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238090 504998212 /nfs/dbraw/zinc/99/82/12/504998212.db2.gz QHGNAHQMUDJHDU-SFHVURJKSA-N 2 1 369.431 3.452 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238090 504998217 /nfs/dbraw/zinc/99/82/17/504998217.db2.gz QHGNAHQMUDJHDU-SFHVURJKSA-N 2 1 369.431 3.452 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000562956412 504999833 /nfs/dbraw/zinc/99/98/33/504999833.db2.gz SEEXWSHBLHMXHN-RBUKOAKNSA-N 2 1 352.544 3.058 20 0 FGADMP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884091 505005483 /nfs/dbraw/zinc/00/54/83/505005483.db2.gz PIZLLRBUUAFKHK-QHAWAJNXSA-N 2 1 367.541 3.121 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000556887625 505006520 /nfs/dbraw/zinc/00/65/20/505006520.db2.gz ZVLMDFUXYGPCEE-IOJLRTSASA-N 2 1 357.542 3.419 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781838 505008037 /nfs/dbraw/zinc/00/80/37/505008037.db2.gz GLRUXNINTZMFDW-NJNPRVFISA-N 2 1 369.553 3.473 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)nn1 ZINC000556963869 505032470 /nfs/dbraw/zinc/03/24/70/505032470.db2.gz NIJNZNJRROPPKB-XTXLOEGASA-N 2 1 353.514 3.348 20 0 FGADMP CC[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000563093018 505045844 /nfs/dbraw/zinc/04/58/44/505045844.db2.gz WLALNQKDLGDIGT-STQRKRGESA-N 2 1 369.553 3.093 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC000550716234 505089778 /nfs/dbraw/zinc/08/97/78/505089778.db2.gz XXFVUVVZMDHJDL-MJGOQNOKSA-N 2 1 362.477 3.365 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000557199778 505091606 /nfs/dbraw/zinc/09/16/06/505091606.db2.gz IEKIIXJTGRRTOU-GOSISDBHSA-N 2 1 366.937 3.022 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1cccc(Cl)c1 ZINC000566209507 505112705 /nfs/dbraw/zinc/11/27/05/505112705.db2.gz XJSZYHSTOBYSQU-MSOLQXFVSA-N 2 1 363.933 3.179 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192600 505113222 /nfs/dbraw/zinc/11/32/22/505113222.db2.gz ZYFJOVPEAAUPPT-NSHGMRRFSA-N 2 1 360.546 3.017 20 0 FGADMP COc1cc(-c2nc(C[N@H+]3CC[C@H](c4nccn4C)C3)cs2)ccc1O ZINC000563351082 505117601 /nfs/dbraw/zinc/11/76/01/505117601.db2.gz VXBBUEGVGLZZDF-AWEZNQCLSA-N 2 1 370.478 3.247 20 0 FGADMP COc1cc(-c2nc(CN3CC[C@H](c4nccn4C)C3)cs2)ccc1O ZINC000563351082 505117604 /nfs/dbraw/zinc/11/76/04/505117604.db2.gz VXBBUEGVGLZZDF-AWEZNQCLSA-N 2 1 370.478 3.247 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@H]2CCC[C@@H]21 ZINC000560550037 505122876 /nfs/dbraw/zinc/12/28/76/505122876.db2.gz TURMXKKRSDDBFH-PMPSAXMXSA-N 2 1 357.420 3.332 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cc(Br)cc4c3OCC4)C2)C1 ZINC000560595123 505137042 /nfs/dbraw/zinc/13/70/42/505137042.db2.gz PDNFZWMMTOXOHB-GOSISDBHSA-N 2 1 365.315 3.302 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc(Cl)cn3)CC2)C[C@@H](C)O1 ZINC000554318320 505143740 /nfs/dbraw/zinc/14/37/40/505143740.db2.gz XHVTZGIOXJVOJY-HZPDHXFCSA-N 2 1 351.922 3.446 20 0 FGADMP C[N@H+](Cc1ccccc1CNC(=O)C[NH+]1CC(C)(C)C1)C1CCCCC1 ZINC000557565139 505168960 /nfs/dbraw/zinc/16/89/60/505168960.db2.gz VAFZLVWHAFJNLR-UHFFFAOYSA-N 2 1 357.542 3.409 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)C[NH+]1CC(C)(C)C1)C1CCCCC1 ZINC000557565139 505168962 /nfs/dbraw/zinc/16/89/62/505168962.db2.gz VAFZLVWHAFJNLR-UHFFFAOYSA-N 2 1 357.542 3.409 20 0 FGADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557634598 505188654 /nfs/dbraw/zinc/18/86/54/505188654.db2.gz LGSKFRRGPDTOHT-IBGZPJMESA-N 2 1 371.550 3.160 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000563618018 505194172 /nfs/dbraw/zinc/19/41/72/505194172.db2.gz VJBZRVLVJFNFRZ-WFASDCNBSA-N 2 1 372.296 3.164 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000563669614 505206246 /nfs/dbraw/zinc/20/62/46/505206246.db2.gz HZJKJBVEIZYZLC-ICSRJNTNSA-N 2 1 373.541 3.275 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccccc1)C1CCCCC1 ZINC000563673519 505207072 /nfs/dbraw/zinc/20/70/72/505207072.db2.gz QZJGDOKKMJLKIR-PZJWPPBQSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690876 505213373 /nfs/dbraw/zinc/21/33/73/505213373.db2.gz DQMUFXKAYSJGQZ-FXAWDEMLSA-N 2 1 372.557 3.391 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614380 505222745 /nfs/dbraw/zinc/22/27/45/505222745.db2.gz NXIVUXJISGLTSH-KNXBSLHKSA-N 2 1 367.493 3.013 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N[C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614380 505222750 /nfs/dbraw/zinc/22/27/50/505222750.db2.gz NXIVUXJISGLTSH-KNXBSLHKSA-N 2 1 367.493 3.013 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000566614439 505223212 /nfs/dbraw/zinc/22/32/12/505223212.db2.gz UZPDXWGXLLTAGH-JJCGOBCMSA-N 2 1 351.494 3.010 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557812180 505236422 /nfs/dbraw/zinc/23/64/22/505236422.db2.gz NEWZPNJSDXZUNU-RMVXJAJNSA-N 2 1 370.541 3.090 20 0 FGADMP CC(C)[C@@]1(CO)CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242547 /nfs/dbraw/zinc/24/25/47/505242547.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@@]1(CO)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242551 /nfs/dbraw/zinc/24/25/51/505242551.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@@]1(CO)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070184 505242555 /nfs/dbraw/zinc/24/25/55/505242555.db2.gz NEPSHCSPLDLBCQ-FSSWDIPSSA-N 2 1 368.606 3.226 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856267 505282758 /nfs/dbraw/zinc/28/27/58/505282758.db2.gz NOQJUQQNNYJOPJ-UYAOXDASSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012322 505285475 /nfs/dbraw/zinc/28/54/75/505285475.db2.gz POFWCCPBWPXZQZ-IPJJNNNSSA-N 2 1 369.553 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000558022271 505287996 /nfs/dbraw/zinc/28/79/96/505287996.db2.gz FEHMUCFASXRIJL-HOJAQTOUSA-N 2 1 362.562 3.052 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000566890581 505301504 /nfs/dbraw/zinc/30/15/04/505301504.db2.gz IYAPREJWYIJZKG-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000566890580 505301633 /nfs/dbraw/zinc/30/16/33/505301633.db2.gz IYAPREJWYIJZKG-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000555002622 505325373 /nfs/dbraw/zinc/32/53/73/505325373.db2.gz DNIHTIQOVPNYAF-PBHICJAKSA-N 2 1 355.486 3.492 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000551898378 505337105 /nfs/dbraw/zinc/33/71/05/505337105.db2.gz LJGJZAGWHVKTAH-QGZVFWFLSA-N 2 1 355.404 3.136 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000551898378 505337108 /nfs/dbraw/zinc/33/71/08/505337108.db2.gz LJGJZAGWHVKTAH-QGZVFWFLSA-N 2 1 355.404 3.136 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H](C)c3ccc(-n4cc[nH+]c4C)cc3)[C@H]2C1 ZINC000564153469 505338950 /nfs/dbraw/zinc/33/89/50/505338950.db2.gz UTHYMFFADPVSDJ-KXYFNNKZSA-N 2 1 366.509 3.478 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000567042031 505346335 /nfs/dbraw/zinc/34/63/35/505346335.db2.gz YINAMTPOZXBFFX-OAQYLSRUSA-N 2 1 374.573 3.174 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC(F)F ZINC000552044761 505380522 /nfs/dbraw/zinc/38/05/22/505380522.db2.gz LYUNGIDWOIJOAR-XHSDSOJGSA-N 2 1 354.441 3.302 20 0 FGADMP CSc1ccc([C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+](C)C)cc1 ZINC000555265552 505394711 /nfs/dbraw/zinc/39/47/11/505394711.db2.gz XSCLCCIUBHRMRY-GOSISDBHSA-N 2 1 371.554 3.326 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637475 505396545 /nfs/dbraw/zinc/39/65/45/505396545.db2.gz FBYRPQQVOUZTOM-CRAIPNDOSA-N 2 1 368.953 3.362 20 0 FGADMP Cc1cc2ncn(C[C@H](O)CNCc3nc4ccccc4s3)c2cc1C ZINC000564472519 505428487 /nfs/dbraw/zinc/42/84/87/505428487.db2.gz GFIDGCPROQRPQR-OAHLLOKOSA-N 2 1 366.490 3.414 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602799 505435956 /nfs/dbraw/zinc/43/59/56/505435956.db2.gz OAFMIFLAJVIZFV-WMZOPIPTSA-N 2 1 364.534 3.145 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602797 505436277 /nfs/dbraw/zinc/43/62/77/505436277.db2.gz OAFMIFLAJVIZFV-FUHWJXTLSA-N 2 1 364.534 3.145 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000561784853 505436780 /nfs/dbraw/zinc/43/67/80/505436780.db2.gz LKRQRCVNCJXDJP-VQTJNVASSA-N 2 1 369.553 3.444 20 0 FGADMP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552250240 505440689 /nfs/dbraw/zinc/44/06/89/505440689.db2.gz YZAWRCODWPZIJX-YPAWHYETSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000552250240 505440691 /nfs/dbraw/zinc/44/06/91/505440691.db2.gz YZAWRCODWPZIJX-YPAWHYETSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552250240 505440694 /nfs/dbraw/zinc/44/06/94/505440694.db2.gz YZAWRCODWPZIJX-YPAWHYETSA-N 3 1 352.526 3.472 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000561849673 505450092 /nfs/dbraw/zinc/45/00/92/505450092.db2.gz GYADIVGUKWCEOU-XMSQKQJNSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000561849673 505450094 /nfs/dbraw/zinc/45/00/94/505450094.db2.gz GYADIVGUKWCEOU-XMSQKQJNSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539558 505451109 /nfs/dbraw/zinc/45/11/09/505451109.db2.gz MAAJJHSRJORTFA-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539558 505451111 /nfs/dbraw/zinc/45/11/11/505451111.db2.gz MAAJJHSRJORTFA-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539558 505451114 /nfs/dbraw/zinc/45/11/14/505451114.db2.gz MAAJJHSRJORTFA-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000561976444 505483186 /nfs/dbraw/zinc/48/31/86/505483186.db2.gz FUKMJPSPMDWWRB-MRXNPFEDSA-N 2 1 363.933 3.265 20 0 FGADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000558758447 505484614 /nfs/dbraw/zinc/48/46/14/505484614.db2.gz KPKZNTNYZVTESO-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000558758447 505484616 /nfs/dbraw/zinc/48/46/16/505484616.db2.gz KPKZNTNYZVTESO-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C1CCCC1 ZINC000558758447 505484619 /nfs/dbraw/zinc/48/46/19/505484619.db2.gz KPKZNTNYZVTESO-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642374 505522542 /nfs/dbraw/zinc/52/25/42/505522542.db2.gz QPJUXBVJCADJQV-NPFVIJTESA-N 2 1 351.494 3.142 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(CN[C@@H]3C[C@@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642374 505522545 /nfs/dbraw/zinc/52/25/45/505522545.db2.gz QPJUXBVJCADJQV-NPFVIJTESA-N 2 1 351.494 3.142 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802278 505524365 /nfs/dbraw/zinc/52/43/65/505524365.db2.gz ZJMVWSORWAMVKH-AVRDEDQJSA-N 2 1 369.553 3.377 20 0 FGADMP Clc1ccc2nc(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)cn2c1 ZINC000564823949 505530765 /nfs/dbraw/zinc/53/07/65/505530765.db2.gz UPNRGDUVSMTZSJ-FXAWDEMLSA-N 2 1 368.868 3.333 20 0 FGADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1=CC[N@@H+](C)CC1 ZINC000567709845 505545266 /nfs/dbraw/zinc/54/52/66/505545266.db2.gz ATGLGYFVBPPGIK-ZDUSSCGKSA-N 2 1 355.404 3.274 20 0 FGADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000567710892 505545737 /nfs/dbraw/zinc/54/57/37/505545737.db2.gz UXTNRFPKVOAJRW-ZDUSSCGKSA-N 2 1 366.303 3.018 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000567791396 505563151 /nfs/dbraw/zinc/56/31/51/505563151.db2.gz PWUDRVYQPBDIJZ-MOPGFXCFSA-N 2 1 355.482 3.249 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000567791396 505563153 /nfs/dbraw/zinc/56/31/53/505563153.db2.gz PWUDRVYQPBDIJZ-MOPGFXCFSA-N 2 1 355.482 3.249 20 0 FGADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Sc3ccccc3)cc2)C1 ZINC000564969104 505564528 /nfs/dbraw/zinc/56/45/28/505564528.db2.gz RAUGPNPAQGRCCF-GOSISDBHSA-N 2 1 369.534 3.125 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870482 505569408 /nfs/dbraw/zinc/56/94/08/505569408.db2.gz DFDMABOFUSPJGB-IEBWSBKVSA-N 2 1 352.478 3.412 20 0 FGADMP Cc1cc(C(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893705 505570434 /nfs/dbraw/zinc/57/04/34/505570434.db2.gz NEYINQBUFBYOBN-CVEARBPZSA-N 2 1 371.447 3.171 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000608061595 506403452 /nfs/dbraw/zinc/40/34/52/506403452.db2.gz ZKBNOZWAOHICCN-APWZRJJASA-N 2 1 355.482 3.242 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000608061595 506403461 /nfs/dbraw/zinc/40/34/61/506403461.db2.gz ZKBNOZWAOHICCN-APWZRJJASA-N 2 1 355.482 3.242 20 0 FGADMP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000582860928 506458762 /nfs/dbraw/zinc/45/87/62/506458762.db2.gz NCSATCJNKBHPBR-IRLDBZIGSA-N 2 1 352.478 3.126 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000583033601 506551958 /nfs/dbraw/zinc/55/19/58/506551958.db2.gz JNYRKKYXVGKBJH-MRXNPFEDSA-N 2 1 371.516 3.124 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3[nH]cnc3c2)[C@H](c2ccccc2)C1 ZINC000589639817 506614935 /nfs/dbraw/zinc/61/49/35/506614935.db2.gz WMFNLYGZBBMUPI-QFIPXVFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000589639817 506614942 /nfs/dbraw/zinc/61/49/42/506614942.db2.gz WMFNLYGZBBMUPI-QFIPXVFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000589639817 506614948 /nfs/dbraw/zinc/61/49/48/506614948.db2.gz WMFNLYGZBBMUPI-QFIPXVFZSA-N 2 1 363.509 3.031 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645613 506645632 /nfs/dbraw/zinc/64/56/32/506645632.db2.gz QAKDVLUUKLHNTL-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCc1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000589947528 506685794 /nfs/dbraw/zinc/68/57/94/506685794.db2.gz KMJHRDQACDBTIE-WIYYLYMNSA-N 2 1 359.558 3.227 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080014 506706897 /nfs/dbraw/zinc/70/68/97/506706897.db2.gz HBZMANYOVPJQLS-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604080014 506706903 /nfs/dbraw/zinc/70/69/03/506706903.db2.gz HBZMANYOVPJQLS-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604080014 506706908 /nfs/dbraw/zinc/70/69/08/506706908.db2.gz HBZMANYOVPJQLS-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000604080634 506707534 /nfs/dbraw/zinc/70/75/34/506707534.db2.gz LVVNZZIRMDXGTP-FQEVSTJZSA-N 2 1 360.546 3.069 20 0 FGADMP COCCCn1nccc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000583321793 506717156 /nfs/dbraw/zinc/71/71/56/506717156.db2.gz FEPXZWFGYOACBE-RBBKRZOGSA-N 2 1 370.541 3.092 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000583348831 506729350 /nfs/dbraw/zinc/72/93/50/506729350.db2.gz HDIGZCMBQWLPKC-GJZGRUSLSA-N 2 1 367.921 3.386 20 0 FGADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604173077 506736131 /nfs/dbraw/zinc/73/61/31/506736131.db2.gz HDTLDXDZDUIEDW-NJYVYQBISA-N 2 1 370.541 3.140 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000590354101 506801862 /nfs/dbraw/zinc/80/18/62/506801862.db2.gz LKRULCVOVBUPHM-FQEVSTJZSA-N 2 1 360.546 3.197 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000590354101 506801868 /nfs/dbraw/zinc/80/18/68/506801868.db2.gz LKRULCVOVBUPHM-FQEVSTJZSA-N 2 1 360.546 3.197 20 0 FGADMP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000583583938 506862619 /nfs/dbraw/zinc/86/26/19/506862619.db2.gz LSLAFUQMWRCDMH-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583938 506862621 /nfs/dbraw/zinc/86/26/21/506862621.db2.gz LSLAFUQMWRCDMH-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583938 506862627 /nfs/dbraw/zinc/86/26/27/506862627.db2.gz LSLAFUQMWRCDMH-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000594077325 506927356 /nfs/dbraw/zinc/92/73/56/506927356.db2.gz RFJIKGDKKJOADN-KDURUIRLSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000594077325 506927361 /nfs/dbraw/zinc/92/73/61/506927361.db2.gz RFJIKGDKKJOADN-KDURUIRLSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000594077325 506927367 /nfs/dbraw/zinc/92/73/67/506927367.db2.gz RFJIKGDKKJOADN-KDURUIRLSA-N 2 1 360.546 3.071 20 0 FGADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[N@@H+](C)CCC[NH3+])cc1 ZINC000583752412 506953068 /nfs/dbraw/zinc/95/30/68/506953068.db2.gz ITITZPQWQAAYCP-UHFFFAOYSA-N 2 1 364.493 3.388 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786689 506958695 /nfs/dbraw/zinc/95/86/95/506958695.db2.gz MLOJUABMHXWJRD-SFHVURJKSA-N 2 1 359.558 3.478 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000600636045 507042375 /nfs/dbraw/zinc/04/23/75/507042375.db2.gz RDOGNASRSZXLPK-IBGZPJMESA-N 2 1 363.933 3.498 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000600636045 507042379 /nfs/dbraw/zinc/04/23/79/507042379.db2.gz RDOGNASRSZXLPK-IBGZPJMESA-N 2 1 363.933 3.498 20 0 FGADMP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)CC1CCC1 ZINC000600711182 507076459 /nfs/dbraw/zinc/07/64/59/507076459.db2.gz DXNPKVUKYHXUHU-UHFFFAOYSA-N 2 1 365.521 3.216 20 0 FGADMP C[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)CC1CCC1 ZINC000600711182 507076464 /nfs/dbraw/zinc/07/64/64/507076464.db2.gz DXNPKVUKYHXUHU-UHFFFAOYSA-N 2 1 365.521 3.216 20 0 FGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2o1 ZINC000600720225 507082305 /nfs/dbraw/zinc/08/23/05/507082305.db2.gz GAPNIZMNPKOCEP-ZIAGYGMSSA-N 2 1 370.371 3.179 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2o1 ZINC000600720225 507082310 /nfs/dbraw/zinc/08/23/10/507082310.db2.gz GAPNIZMNPKOCEP-ZIAGYGMSSA-N 2 1 370.371 3.179 20 0 FGADMP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000591136775 507128516 /nfs/dbraw/zinc/12/85/16/507128516.db2.gz ZKUUFZZPCXKOSF-ZCNNSNEGSA-N 2 1 351.579 3.371 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000600888456 507161994 /nfs/dbraw/zinc/16/19/94/507161994.db2.gz WNXZDNKWPYYPHI-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP CCC(CC)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000594518511 507165981 /nfs/dbraw/zinc/16/59/81/507165981.db2.gz IXVSIWMMVZAPEX-SFHVURJKSA-N 2 1 368.562 3.368 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000591283873 507185837 /nfs/dbraw/zinc/18/58/37/507185837.db2.gz JLKXZMWRIHAPLB-LJQANCHMSA-N 2 1 363.521 3.084 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000584163196 507189239 /nfs/dbraw/zinc/18/92/39/507189239.db2.gz JQYLPOIXYJXZGZ-VQTJNVASSA-N 2 1 374.916 3.244 20 0 FGADMP C[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601007930 507226089 /nfs/dbraw/zinc/22/60/89/507226089.db2.gz RVKDLHLMSSGEJU-QFIPXVFZSA-N 2 1 371.569 3.322 20 0 FGADMP C[C@H](C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000601016925 507229475 /nfs/dbraw/zinc/22/94/75/507229475.db2.gz URTLNWRCALQRNX-RBUKOAKNSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000601016925 507229482 /nfs/dbraw/zinc/22/94/82/507229482.db2.gz URTLNWRCALQRNX-RBUKOAKNSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000601016925 507229489 /nfs/dbraw/zinc/22/94/89/507229489.db2.gz URTLNWRCALQRNX-RBUKOAKNSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000601016925 507229498 /nfs/dbraw/zinc/22/94/98/507229498.db2.gz URTLNWRCALQRNX-RBUKOAKNSA-N 2 1 365.521 3.070 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605560827 507241674 /nfs/dbraw/zinc/24/16/74/507241674.db2.gz XSGJCZBMCSQGJJ-IBGZPJMESA-N 2 1 359.514 3.283 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591423166 507244255 /nfs/dbraw/zinc/24/42/55/507244255.db2.gz GHFKXJSOSZHQDC-OALUTQOASA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591423166 507244262 /nfs/dbraw/zinc/24/42/62/507244262.db2.gz GHFKXJSOSZHQDC-OALUTQOASA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591423166 507244266 /nfs/dbraw/zinc/24/42/66/507244266.db2.gz GHFKXJSOSZHQDC-OALUTQOASA-N 2 1 373.541 3.154 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538420 507281711 /nfs/dbraw/zinc/28/17/11/507281711.db2.gz RDRNEMBBZHUVOM-TZIWHRDSSA-N 2 1 372.557 3.243 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000601297721 507326641 /nfs/dbraw/zinc/32/66/41/507326641.db2.gz UHARMNXCTRMXMT-SFHVURJKSA-N 2 1 366.594 3.451 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601341169 507339010 /nfs/dbraw/zinc/33/90/10/507339010.db2.gz KPJLVBGZPWIEHO-ZWKOTPCHSA-N 2 1 352.567 3.059 20 0 FGADMP CCOC(=O)c1ccc(-c2ccc(C[NH2+]CCn3cc[nH+]c3C)o2)cc1 ZINC000614241029 507422173 /nfs/dbraw/zinc/42/21/73/507422173.db2.gz ZIZDQIYGRDKXHJ-UHFFFAOYSA-N 2 1 353.422 3.418 20 0 FGADMP C[C@@H](NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684808 507480115 /nfs/dbraw/zinc/48/01/15/507480115.db2.gz OKFOFKLBMVPMGH-YLJYHZDGSA-N 2 1 364.578 3.061 20 0 FGADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n2c1CCCC2 ZINC000598640840 507529374 /nfs/dbraw/zinc/52/93/74/507529374.db2.gz OIANALJTKKYUBO-QGZVFWFLSA-N 2 1 361.530 3.355 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491901 507677868 /nfs/dbraw/zinc/67/78/68/507677868.db2.gz PYOHSSSBLYLILH-SJORKVTESA-N 2 1 356.466 3.431 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)on1 ZINC000602514103 507733579 /nfs/dbraw/zinc/73/35/79/507733579.db2.gz HLHYZBCTLQYDHC-INIZCTEOSA-N 2 1 371.481 3.373 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)on1 ZINC000602514103 507733587 /nfs/dbraw/zinc/73/35/87/507733587.db2.gz HLHYZBCTLQYDHC-INIZCTEOSA-N 2 1 371.481 3.373 20 0 FGADMP CCOCCCNc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000629733255 522425033 /nfs/dbraw/zinc/42/50/33/522425033.db2.gz LNIFWILATPWMEI-UHFFFAOYSA-N 2 1 355.482 3.419 20 0 FGADMP Cc1[nH+]ccn1CCCN1CCOC[C@@H]1c1cccc(Br)c1 ZINC000661734504 567998686 /nfs/dbraw/zinc/99/86/86/567998686.db2.gz VRYXBKCEZSDXLL-QGZVFWFLSA-N 2 1 364.287 3.418 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000737242016 598238488 /nfs/dbraw/zinc/23/84/88/598238488.db2.gz ULYBHJIBPHENPR-UHFFFAOYSA-N 2 1 365.485 3.331 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccccc2C[N@H+](C)C(C)C)[nH+]1 ZINC000737242016 598238490 /nfs/dbraw/zinc/23/84/90/598238490.db2.gz ULYBHJIBPHENPR-UHFFFAOYSA-N 2 1 365.485 3.331 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNc1[nH+]c(C)cc(C)c1-c1nn[nH]n1 ZINC000821197120 599327028 /nfs/dbraw/zinc/32/70/28/599327028.db2.gz GHFLIPURESBISM-UHFFFAOYSA-N 2 1 365.485 3.332 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@H](Cc2ccccc2)[NH+](C)C)cc1Cl ZINC000104155280 700492294 /nfs/dbraw/zinc/49/22/94/700492294.db2.gz AGQASULDECPECJ-INIZCTEOSA-N 2 1 360.889 3.248 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000124722213 700723978 /nfs/dbraw/zinc/72/39/78/700723978.db2.gz HMSVRODWTCFOJK-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1CN(C)C(=O)OC(C)(C)C ZINC000124722213 700723979 /nfs/dbraw/zinc/72/39/79/700723979.db2.gz HMSVRODWTCFOJK-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000128076972 700770515 /nfs/dbraw/zinc/77/05/15/700770515.db2.gz OWVVMLYLHHAPKY-LPHOPBHVSA-N 2 1 363.933 3.285 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000128092027 700770947 /nfs/dbraw/zinc/77/09/47/700770947.db2.gz FNDONFDFYIPEKH-MLHJIOFPSA-N 2 1 351.535 3.286 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130451368 700802070 /nfs/dbraw/zinc/80/20/70/700802070.db2.gz XCOKYVMCVNMWOO-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130451368 700802075 /nfs/dbraw/zinc/80/20/75/700802075.db2.gz XCOKYVMCVNMWOO-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130451599 700802092 /nfs/dbraw/zinc/80/20/92/700802092.db2.gz XCOKYVMCVNMWOO-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000130451599 700802097 /nfs/dbraw/zinc/80/20/97/700802097.db2.gz XCOKYVMCVNMWOO-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC(C)(C)[NH+]1CCCCC1 ZINC000152650898 704969372 /nfs/dbraw/zinc/96/93/72/704969372.db2.gz WGJLGCYZCVLIGW-AWEZNQCLSA-N 2 1 352.910 3.306 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000236591054 713581550 /nfs/dbraw/zinc/58/15/50/713581550.db2.gz JFIWIQHMDBENMR-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248393906 713648855 /nfs/dbraw/zinc/64/88/55/713648855.db2.gz XIASADRGYGGRTD-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000248393906 713648858 /nfs/dbraw/zinc/64/88/58/713648858.db2.gz XIASADRGYGGRTD-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP Clc1cccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)c1Cl ZINC000261697268 713712890 /nfs/dbraw/zinc/71/28/90/713712890.db2.gz IXIBQDZDYYSTKZ-UHFFFAOYSA-N 2 1 366.296 3.068 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000261832824 713714958 /nfs/dbraw/zinc/71/49/58/713714958.db2.gz XTZDNSJMKCTGOA-INIZCTEOSA-N 2 1 356.297 3.396 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000271556266 713753455 /nfs/dbraw/zinc/75/34/55/713753455.db2.gz VVVSKRXCSVMADV-RCCFBDPRSA-N 2 1 350.503 3.330 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC000302084526 713782717 /nfs/dbraw/zinc/78/27/17/713782717.db2.gz GQEVQHSYGHCIIK-KRWDZBQOSA-N 2 1 351.535 3.383 20 0 FGADMP C[C@H](O)C[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837467 714036998 /nfs/dbraw/zinc/03/69/98/714036998.db2.gz UYTUDAPNYVDPHZ-TUFLPTIASA-N 2 1 354.579 3.408 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000521786309 714148164 /nfs/dbraw/zinc/14/81/64/714148164.db2.gz ZHEMQPVXFNLWTH-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903152 714211422 /nfs/dbraw/zinc/21/14/22/714211422.db2.gz RUCATNYODZGHCO-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903152 714211424 /nfs/dbraw/zinc/21/14/24/714211424.db2.gz RUCATNYODZGHCO-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903150 714211549 /nfs/dbraw/zinc/21/15/49/714211549.db2.gz RUCATNYODZGHCO-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000522903150 714211552 /nfs/dbraw/zinc/21/15/52/714211552.db2.gz RUCATNYODZGHCO-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000523433274 714234508 /nfs/dbraw/zinc/23/45/08/714234508.db2.gz KZMPEJYUFBLUFZ-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000523669715 714246510 /nfs/dbraw/zinc/24/65/10/714246510.db2.gz IKLFEMYTCDIGFW-CYBMUJFWSA-N 2 1 357.420 3.306 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000524570632 714288912 /nfs/dbraw/zinc/28/89/12/714288912.db2.gz OXRYSQIBTRLBSW-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 ZINC000643489065 718036420 /nfs/dbraw/zinc/03/64/20/718036420.db2.gz QLHFEAZTIJYXOH-UHOFOFEASA-N 2 1 355.404 3.054 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704507 716057041 /nfs/dbraw/zinc/05/70/41/716057041.db2.gz WNAZNVLCRLNQMT-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP C[N@H+](CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704507 716057050 /nfs/dbraw/zinc/05/70/50/716057050.db2.gz WNAZNVLCRLNQMT-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704507 716057059 /nfs/dbraw/zinc/05/70/59/716057059.db2.gz WNAZNVLCRLNQMT-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704507 716057064 /nfs/dbraw/zinc/05/70/64/716057064.db2.gz WNAZNVLCRLNQMT-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC1 ZINC000627704507 716057070 /nfs/dbraw/zinc/05/70/70/716057070.db2.gz WNAZNVLCRLNQMT-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(Br)c1O ZINC000628425671 716154482 /nfs/dbraw/zinc/15/44/82/716154482.db2.gz RFZWBDMBFQBQCC-CYBMUJFWSA-N 2 1 371.319 3.375 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(Br)c1O ZINC000628425671 716154483 /nfs/dbraw/zinc/15/44/83/716154483.db2.gz RFZWBDMBFQBQCC-CYBMUJFWSA-N 2 1 371.319 3.375 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514351 716301834 /nfs/dbraw/zinc/30/18/34/716301834.db2.gz RIZAVXDTVNYEQF-HOCLYGCPSA-N 2 1 368.319 3.008 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514351 716301845 /nfs/dbraw/zinc/30/18/45/716301845.db2.gz RIZAVXDTVNYEQF-HOCLYGCPSA-N 2 1 368.319 3.008 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629565852 716309808 /nfs/dbraw/zinc/30/98/08/716309808.db2.gz XSGHWQNUEAIHAH-SMDDNHRTSA-N 2 1 363.811 3.128 20 0 FGADMP Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629580384 716311083 /nfs/dbraw/zinc/31/10/83/716311083.db2.gz ABYNPRIABRRJIV-WBVHZDCISA-N 2 1 365.315 3.415 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656993 716330756 /nfs/dbraw/zinc/33/07/56/716330756.db2.gz SHRBVCPSBMNYKD-HOCLYGCPSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656993 716330760 /nfs/dbraw/zinc/33/07/60/716330760.db2.gz SHRBVCPSBMNYKD-HOCLYGCPSA-N 2 1 352.404 3.344 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602754 717181101 /nfs/dbraw/zinc/18/11/01/717181101.db2.gz JGCFTSQXWJPAAA-AYBZRNKSSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602754 717181103 /nfs/dbraw/zinc/18/11/03/717181103.db2.gz JGCFTSQXWJPAAA-AYBZRNKSSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602754 717181106 /nfs/dbraw/zinc/18/11/06/717181106.db2.gz JGCFTSQXWJPAAA-AYBZRNKSSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177620 717417100 /nfs/dbraw/zinc/41/71/00/717417100.db2.gz CYYLKDIIJMOWFI-SQNIBIBYSA-N 2 1 356.432 3.475 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177620 717417105 /nfs/dbraw/zinc/41/71/05/717417105.db2.gz CYYLKDIIJMOWFI-SQNIBIBYSA-N 2 1 356.432 3.475 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360542 717439092 /nfs/dbraw/zinc/43/90/92/717439092.db2.gz UEZLIXQVFSQEDU-RTBURBONSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521987 718117955 /nfs/dbraw/zinc/11/79/55/718117955.db2.gz MSIQOWWNUWTWOB-WMZOPIPTSA-N 2 1 354.922 3.181 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530072 718119305 /nfs/dbraw/zinc/11/93/05/718119305.db2.gz LTZJXHYBJJHJOI-KGLIPLIRSA-N 2 1 361.313 3.055 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644549867 718122445 /nfs/dbraw/zinc/12/24/45/718122445.db2.gz BHFHUZQXEJCQTD-UBDQQSCGSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000644549867 718122448 /nfs/dbraw/zinc/12/24/48/718122448.db2.gz BHFHUZQXEJCQTD-UBDQQSCGSA-N 2 1 356.432 3.333 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1ccccc1Br)CCO2 ZINC000646105871 718263949 /nfs/dbraw/zinc/26/39/49/718263949.db2.gz KGMJIVJHFIFEKX-UHFFFAOYSA-N 2 1 367.331 3.178 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295153 718276006 /nfs/dbraw/zinc/27/60/06/718276006.db2.gz YWLRNGLFNFHLEC-NVXWUHKLSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295153 718276011 /nfs/dbraw/zinc/27/60/11/718276011.db2.gz YWLRNGLFNFHLEC-NVXWUHKLSA-N 2 1 355.885 3.247 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000646381007 718282236 /nfs/dbraw/zinc/28/22/36/718282236.db2.gz GDOLBCSOXFBTKZ-SCTDSRPQSA-N 2 1 363.933 3.181 20 0 FGADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000647548779 718367234 /nfs/dbraw/zinc/36/72/34/718367234.db2.gz SXNQPKPSDUEEBS-PBHICJAKSA-N 2 1 356.432 3.341 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975893 718390958 /nfs/dbraw/zinc/39/09/58/718390958.db2.gz HJDHEIDFNULEOV-ILXRZTDVSA-N 2 1 351.441 3.003 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978645 718391697 /nfs/dbraw/zinc/39/16/97/718391697.db2.gz WHAMQBLPHLKSSP-HOTGVXAUSA-N 2 1 359.905 3.132 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278611 718500703 /nfs/dbraw/zinc/50/07/03/718500703.db2.gz PXYOLLWXSSFPKL-RTBURBONSA-N 2 1 357.885 3.293 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Br)ccc3F)C2)C1 ZINC000650705824 718716859 /nfs/dbraw/zinc/71/68/59/718716859.db2.gz XIOZUIBIYSHPCV-XGWLTEMNSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722816 718720580 /nfs/dbraw/zinc/72/05/80/718720580.db2.gz BTPRSTYSBYDQJM-UNEWFSDZSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722883 718720770 /nfs/dbraw/zinc/72/07/70/718720770.db2.gz CUGXTVYAIBLHKK-XYPHTWIQSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722883 718720772 /nfs/dbraw/zinc/72/07/72/718720772.db2.gz CUGXTVYAIBLHKK-XYPHTWIQSA-N 2 1 371.294 3.449 20 0 FGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208653 718923045 /nfs/dbraw/zinc/92/30/45/718923045.db2.gz KUKZGJDWKHKTTR-WBVHZDCISA-N 2 1 350.503 3.485 20 0 FGADMP CC(C)CCc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348661 718935173 /nfs/dbraw/zinc/93/51/73/718935173.db2.gz MKSJWOTYARXLEQ-BQFCYCMXSA-N 2 1 351.560 3.450 20 0 FGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348481 718935178 /nfs/dbraw/zinc/93/51/78/718935178.db2.gz FKUFBPDHEAUPJY-RLFYNMQTSA-N 2 1 361.511 3.430 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+]([C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000652352697 718935865 /nfs/dbraw/zinc/93/58/65/718935865.db2.gz NYWHNUHEJWGWBC-XZOAIXRZSA-N 2 1 368.308 3.160 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3ccc(Cl)cc3Cl)C1=O)C2 ZINC000652352697 718935866 /nfs/dbraw/zinc/93/58/66/718935866.db2.gz NYWHNUHEJWGWBC-XZOAIXRZSA-N 2 1 368.308 3.160 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361662 718936895 /nfs/dbraw/zinc/93/68/95/718936895.db2.gz LXPKQQBRJXTVMN-KBAYOESNSA-N 2 1 365.905 3.029 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154589 719018607 /nfs/dbraw/zinc/01/86/07/719018607.db2.gz VWTCPNKZKAUUCA-UXDKQJBESA-N 2 1 367.896 3.248 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000653154589 719018608 /nfs/dbraw/zinc/01/86/08/719018608.db2.gz VWTCPNKZKAUUCA-UXDKQJBESA-N 2 1 367.896 3.248 20 0 FGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000781421355 724563089 /nfs/dbraw/zinc/56/30/89/724563089.db2.gz JBOUXCPAWHIXQX-WNRNVDISSA-N 2 1 356.432 3.454 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(Cl)cc1 ZINC000655387692 719289211 /nfs/dbraw/zinc/28/92/11/719289211.db2.gz NARDTUQVTXVPQJ-INIZCTEOSA-N 2 1 351.922 3.368 20 0 FGADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655689910 719326030 /nfs/dbraw/zinc/32/60/30/719326030.db2.gz GIANRIBZNPRUEK-XLIONFOSSA-N 2 1 365.949 3.176 20 0 FGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1cccc(F)c1 ZINC000655721313 719329789 /nfs/dbraw/zinc/32/97/89/719329789.db2.gz MXEAQQNHTIKNGN-UYAOXDASSA-N 2 1 350.478 3.216 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Br ZINC000655775293 719338140 /nfs/dbraw/zinc/33/81/40/719338140.db2.gz VNEWGNMWTKZPFQ-MRXNPFEDSA-N 2 1 353.304 3.100 20 0 FGADMP c1csc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CCO2)c1 ZINC000655774904 719338212 /nfs/dbraw/zinc/33/82/12/719338212.db2.gz LFRUOKIJWRFQBV-KZNAEPCWSA-N 2 1 350.528 3.201 20 0 FGADMP c1csc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CCO2)c1 ZINC000655774903 719338239 /nfs/dbraw/zinc/33/82/39/719338239.db2.gz LFRUOKIJWRFQBV-FGTMMUONSA-N 2 1 350.528 3.201 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164687100 719601872 /nfs/dbraw/zinc/60/18/72/719601872.db2.gz RAJGKWWCDMIAIZ-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccc(Cl)nc2)c2c1CC[NH2+]C2 ZINC001164687100 719601875 /nfs/dbraw/zinc/60/18/75/719601875.db2.gz RAJGKWWCDMIAIZ-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657868379 719722929 /nfs/dbraw/zinc/72/29/29/719722929.db2.gz OILDBXLQPDZDBI-SFHVURJKSA-N 2 1 352.544 3.019 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000658078050 719752734 /nfs/dbraw/zinc/75/27/34/719752734.db2.gz NIACWAOVELMBST-HNNXBMFYSA-N 2 1 361.511 3.046 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658169997 719765528 /nfs/dbraw/zinc/76/55/28/719765528.db2.gz OOVAWVYWZAEWDV-RDGPPVDQSA-N 2 1 350.453 3.443 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264568 719885704 /nfs/dbraw/zinc/88/57/04/719885704.db2.gz QBADNDCOYGFIEB-WQGACYEGSA-N 2 1 358.313 3.195 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264568 719885708 /nfs/dbraw/zinc/88/57/08/719885708.db2.gz QBADNDCOYGFIEB-WQGACYEGSA-N 2 1 358.313 3.195 20 0 FGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000660075015 719985162 /nfs/dbraw/zinc/98/51/62/719985162.db2.gz UTTPXHWRMPZFRO-KRWDZBQOSA-N 2 1 353.963 3.144 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000660075015 719985164 /nfs/dbraw/zinc/98/51/64/719985164.db2.gz UTTPXHWRMPZFRO-KRWDZBQOSA-N 2 1 353.963 3.144 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1F ZINC000660119236 719992469 /nfs/dbraw/zinc/99/24/69/719992469.db2.gz ZRISXWSNAWEVBB-DJIMGWMZSA-N 2 1 356.482 3.240 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1F ZINC000660119236 719992473 /nfs/dbraw/zinc/99/24/73/719992473.db2.gz ZRISXWSNAWEVBB-DJIMGWMZSA-N 2 1 356.482 3.240 20 0 FGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662285247 720410026 /nfs/dbraw/zinc/41/00/26/720410026.db2.gz IBRXUXQAGAPKJI-FCEWJHQRSA-N 2 1 350.528 3.006 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284206 720410089 /nfs/dbraw/zinc/41/00/89/720410089.db2.gz GDZMNCSZPLFJHM-JGGQBBKZSA-N 2 1 358.404 3.145 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292184 720411078 /nfs/dbraw/zinc/41/10/78/720411078.db2.gz BWXJTAZBIHVCBS-WBVHZDCISA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292184 720411080 /nfs/dbraw/zinc/41/10/80/720411080.db2.gz BWXJTAZBIHVCBS-WBVHZDCISA-N 2 1 350.507 3.015 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1cccc(Cl)c1Cl ZINC000662422167 720426998 /nfs/dbraw/zinc/42/69/98/720426998.db2.gz OFPUYYRPHXYSEK-KRWDZBQOSA-N 2 1 370.324 3.245 20 0 FGADMP C[NH2+][C@H](C(=O)NCC[N@H+](C)C1CCCC1)c1cccc(Cl)c1Cl ZINC000662447493 720429459 /nfs/dbraw/zinc/42/94/59/720429459.db2.gz XGQMOQNZBKRBJW-INIZCTEOSA-N 2 1 358.313 3.245 20 0 FGADMP C[NH2+][C@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1cccc(Cl)c1Cl ZINC000662447493 720429461 /nfs/dbraw/zinc/42/94/61/720429461.db2.gz XGQMOQNZBKRBJW-INIZCTEOSA-N 2 1 358.313 3.245 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662474343 720432251 /nfs/dbraw/zinc/43/22/51/720432251.db2.gz VOUZAONEMJKQRF-XHDPSFHLSA-N 2 1 360.329 3.346 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662798046 720459667 /nfs/dbraw/zinc/45/96/67/720459667.db2.gz PUIPLBXIDKECHH-WBVHZDCISA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662798046 720459668 /nfs/dbraw/zinc/45/96/68/720459668.db2.gz PUIPLBXIDKECHH-WBVHZDCISA-N 2 1 353.869 3.001 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468781 720517877 /nfs/dbraw/zinc/51/78/77/720517877.db2.gz MSMZIKSJVXKDJM-GDBMZVCRSA-N 2 1 368.518 3.002 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468781 720517878 /nfs/dbraw/zinc/51/78/78/720517878.db2.gz MSMZIKSJVXKDJM-GDBMZVCRSA-N 2 1 368.518 3.002 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)cc1 ZINC000667735182 721166447 /nfs/dbraw/zinc/16/64/47/721166447.db2.gz LNKVIBSMUGVFMD-ZWKOTPCHSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)cc1 ZINC000667735182 721166448 /nfs/dbraw/zinc/16/64/48/721166448.db2.gz LNKVIBSMUGVFMD-ZWKOTPCHSA-N 2 1 358.873 3.366 20 0 FGADMP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000668784946 721356090 /nfs/dbraw/zinc/35/60/90/721356090.db2.gz KZUXPLTYAXIMAO-KRWDZBQOSA-N 2 1 356.457 3.447 20 0 FGADMP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)c1OC(F)F ZINC000668784946 721356108 /nfs/dbraw/zinc/35/61/08/721356108.db2.gz KZUXPLTYAXIMAO-KRWDZBQOSA-N 2 1 356.457 3.447 20 0 FGADMP Cn1ccc2c1cc[nH+]c2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897083 721522572 /nfs/dbraw/zinc/52/25/72/721522572.db2.gz DPRHYBPLGZUKAO-SJLPKXTDSA-N 2 1 366.440 3.054 20 0 FGADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000675177668 721735808 /nfs/dbraw/zinc/73/58/08/721735808.db2.gz VVMFSPUUBZRZOP-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675637312 721764272 /nfs/dbraw/zinc/76/42/72/721764272.db2.gz LOLUGXNKOSBHHG-INIZCTEOSA-N 2 1 363.571 3.286 20 0 FGADMP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675637312 721764273 /nfs/dbraw/zinc/76/42/73/721764273.db2.gz LOLUGXNKOSBHHG-INIZCTEOSA-N 2 1 363.571 3.286 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H]([NH+](C)C)C3)c2c1C ZINC000068902699 721896087 /nfs/dbraw/zinc/89/60/87/721896087.db2.gz RWRWNFXVVPBXAU-INIZCTEOSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679338777 722024036 /nfs/dbraw/zinc/02/40/36/722024036.db2.gz ZRCGYMMWBUMYLP-DLBZAZTESA-N 2 1 364.287 3.464 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293976 722412921 /nfs/dbraw/zinc/41/29/21/722412921.db2.gz XDKQWEBRQQFONT-DZVNLGKHSA-N 2 1 351.535 3.094 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)c1cccs1 ZINC000726489993 722435544 /nfs/dbraw/zinc/43/55/44/722435544.db2.gz GTNFNKYGKMAGJJ-HZPDHXFCSA-N 2 1 368.616 3.032 20 0 FGADMP CC[C@H](C[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000727466046 722444842 /nfs/dbraw/zinc/44/48/42/722444842.db2.gz RBGFXTADHHCHBQ-GOSISDBHSA-N 2 1 353.551 3.488 20 0 FGADMP c1cc(-c2ccn(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cs1 ZINC000744439641 722576959 /nfs/dbraw/zinc/57/69/59/722576959.db2.gz BGZLGJVNMCXNBT-UHFFFAOYSA-N 2 1 360.527 3.146 20 0 FGADMP CCc1ccccc1NC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000751011839 722790543 /nfs/dbraw/zinc/79/05/43/722790543.db2.gz PGLLPCYBWXZWKX-GOSISDBHSA-N 2 1 362.587 3.294 20 0 FGADMP CCc1cccc(NC(=S)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000751010077 722790695 /nfs/dbraw/zinc/79/06/95/722790695.db2.gz HCCBNIWYXCRFKG-IBGZPJMESA-N 2 1 362.587 3.294 20 0 FGADMP OCCCC[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000751892126 722832794 /nfs/dbraw/zinc/83/27/94/722832794.db2.gz CQYRTSKNMOGQRB-UHFFFAOYSA-N 2 1 353.388 3.148 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000761804677 723185386 /nfs/dbraw/zinc/18/53/86/723185386.db2.gz RRPMOWYVPBFTCG-MRXNPFEDSA-N 2 1 356.432 3.342 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000762249211 723228662 /nfs/dbraw/zinc/22/86/62/723228662.db2.gz AVUGDWFVQRFZBM-UYAOXDASSA-N 2 1 363.933 3.468 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000762249211 723228666 /nfs/dbraw/zinc/22/86/66/723228666.db2.gz AVUGDWFVQRFZBM-UYAOXDASSA-N 2 1 363.933 3.468 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(C)c1OC(F)F ZINC000762483040 723247531 /nfs/dbraw/zinc/24/75/31/723247531.db2.gz OHCCOAILAKWPSZ-INIZCTEOSA-N 2 1 356.457 3.495 20 0 FGADMP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791621669 723265837 /nfs/dbraw/zinc/26/58/37/723265837.db2.gz WLGLKFZEXQFATH-SVFBPWRDSA-N 2 1 356.897 3.437 20 0 FGADMP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791621669 723265841 /nfs/dbraw/zinc/26/58/41/723265841.db2.gz WLGLKFZEXQFATH-SVFBPWRDSA-N 2 1 356.897 3.437 20 0 FGADMP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791621669 723265846 /nfs/dbraw/zinc/26/58/46/723265846.db2.gz WLGLKFZEXQFATH-SVFBPWRDSA-N 2 1 356.897 3.437 20 0 FGADMP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791621669 723265848 /nfs/dbraw/zinc/26/58/48/723265848.db2.gz WLGLKFZEXQFATH-SVFBPWRDSA-N 2 1 356.897 3.437 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426719 723618871 /nfs/dbraw/zinc/61/88/71/723618871.db2.gz LLAISSGKNHPTLB-MRXNPFEDSA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426719 723618874 /nfs/dbraw/zinc/61/88/74/723618874.db2.gz LLAISSGKNHPTLB-MRXNPFEDSA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000767426719 723618876 /nfs/dbraw/zinc/61/88/76/723618876.db2.gz LLAISSGKNHPTLB-MRXNPFEDSA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(Br)cc2F)s1 ZINC000796293295 723630976 /nfs/dbraw/zinc/63/09/76/723630976.db2.gz FXJIQIDAILMHRP-UHFFFAOYSA-N 2 1 372.307 3.439 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000796366431 723634694 /nfs/dbraw/zinc/63/46/94/723634694.db2.gz LNQZPGGEOHMFAL-HXUWFJFHSA-N 2 1 358.555 3.207 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000796366431 723634695 /nfs/dbraw/zinc/63/46/95/723634695.db2.gz LNQZPGGEOHMFAL-HXUWFJFHSA-N 2 1 358.555 3.207 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000773135268 723777470 /nfs/dbraw/zinc/77/74/70/723777470.db2.gz CEMVJKBMASJGOI-ZOCIIQOWSA-N 2 1 372.912 3.239 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358605 724017833 /nfs/dbraw/zinc/01/78/33/724017833.db2.gz NKFGAXQAGBDUPA-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358605 724017837 /nfs/dbraw/zinc/01/78/37/724017837.db2.gz NKFGAXQAGBDUPA-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358605 724017841 /nfs/dbraw/zinc/01/78/41/724017841.db2.gz NKFGAXQAGBDUPA-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450458 724913514 /nfs/dbraw/zinc/91/35/14/724913514.db2.gz FYTAVGWHFCFGFN-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450458 724913515 /nfs/dbraw/zinc/91/35/15/724913515.db2.gz FYTAVGWHFCFGFN-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731498 725084261 /nfs/dbraw/zinc/08/42/61/725084261.db2.gz BTSDJZRSQHUDJQ-ZWKOTPCHSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731498 725084262 /nfs/dbraw/zinc/08/42/62/725084262.db2.gz BTSDJZRSQHUDJQ-ZWKOTPCHSA-N 2 1 357.885 3.079 20 0 FGADMP CC(C)C[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466619 725367439 /nfs/dbraw/zinc/36/74/39/725367439.db2.gz UQRYVPICJCMAPQ-MSOLQXFVSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466619 725367442 /nfs/dbraw/zinc/36/74/42/725367442.db2.gz UQRYVPICJCMAPQ-MSOLQXFVSA-N 2 1 353.551 3.344 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122542 725389099 /nfs/dbraw/zinc/38/90/99/725389099.db2.gz JQJGCQCXLXYKCA-VIQWUECVSA-N 2 1 352.567 3.203 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812717854 726806110 /nfs/dbraw/zinc/80/61/10/726806110.db2.gz LVIPJMJRTLYSHG-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812720098 726806477 /nfs/dbraw/zinc/80/64/77/726806477.db2.gz YSMHHPPCXGAXQY-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145592 727044754 /nfs/dbraw/zinc/04/47/54/727044754.db2.gz ZHFFFTWJRXBPPU-PWIZWCRZSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145592 727044759 /nfs/dbraw/zinc/04/47/59/727044759.db2.gz ZHFFFTWJRXBPPU-PWIZWCRZSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145592 727044764 /nfs/dbraw/zinc/04/47/64/727044764.db2.gz ZHFFFTWJRXBPPU-PWIZWCRZSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000818966204 727331625 /nfs/dbraw/zinc/33/16/25/727331625.db2.gz OKDGYCKDHFCHQR-MLGOLLRUSA-N 2 1 357.376 3.049 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000818984346 727334432 /nfs/dbraw/zinc/33/44/32/727334432.db2.gz FIAJAFZFPSWONH-PBHICJAKSA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152191 727352929 /nfs/dbraw/zinc/35/29/29/727352929.db2.gz NYCNFHSPPFLYRQ-CXAGYDPISA-N 2 1 373.310 3.189 20 0 FGADMP C[C@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326627 727367544 /nfs/dbraw/zinc/36/75/44/727367544.db2.gz STQPGXPDHUHKOU-FBVQUNGASA-N 2 1 356.432 3.475 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823671759 729297684 /nfs/dbraw/zinc/29/76/84/729297684.db2.gz VJQHFTUNFUYYJT-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000840810123 730177588 /nfs/dbraw/zinc/17/75/88/730177588.db2.gz QBVRVWDTVQKFHU-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842870779 730552349 /nfs/dbraw/zinc/55/23/49/730552349.db2.gz IEXAQLCOZOQBOT-BSDSXHPESA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842870779 730552351 /nfs/dbraw/zinc/55/23/51/730552351.db2.gz IEXAQLCOZOQBOT-BSDSXHPESA-N 2 1 353.551 3.340 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc12 ZINC000843128892 730589361 /nfs/dbraw/zinc/58/93/61/730589361.db2.gz YOSXAXPFCDUIMQ-GJZGRUSLSA-N 2 1 361.921 3.142 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388740 730612750 /nfs/dbraw/zinc/61/27/50/730612750.db2.gz WYPFNLXNCOIRFL-UONOGXRCSA-N 2 1 369.481 3.261 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845920396 730909657 /nfs/dbraw/zinc/90/96/57/730909657.db2.gz GACXYPRPMOTWIX-ODIFPOPNSA-N 2 1 350.507 3.111 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nc(-c2ccccc2F)cs1 ZINC000849110648 731230316 /nfs/dbraw/zinc/23/03/16/731230316.db2.gz MPWVALHLBVHFDW-CYBMUJFWSA-N 2 1 361.490 3.047 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000850381997 731350748 /nfs/dbraw/zinc/35/07/48/731350748.db2.gz MOYBILJDHCSSAP-GOSISDBHSA-N 2 1 351.535 3.240 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000850381997 731350750 /nfs/dbraw/zinc/35/07/50/731350750.db2.gz MOYBILJDHCSSAP-GOSISDBHSA-N 2 1 351.535 3.240 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508765 731366350 /nfs/dbraw/zinc/36/63/50/731366350.db2.gz OATWJNNVTOKXMM-SJLPKXTDSA-N 2 1 357.885 3.079 20 0 FGADMP C[C@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850535177 731370550 /nfs/dbraw/zinc/37/05/50/731370550.db2.gz VMQKPVASWVHYQT-AITUJVMLSA-N 2 1 350.453 3.301 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584360 732039529 /nfs/dbraw/zinc/03/95/29/732039529.db2.gz IPEYUQFYWADEOD-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584360 732039537 /nfs/dbraw/zinc/03/95/37/732039537.db2.gz IPEYUQFYWADEOD-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3c(C)nsc3C)C2)ccn1 ZINC000856584360 732039542 /nfs/dbraw/zinc/03/95/42/732039542.db2.gz IPEYUQFYWADEOD-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584810 732039654 /nfs/dbraw/zinc/03/96/54/732039654.db2.gz RZUYSTBWAJUMEC-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584810 732039659 /nfs/dbraw/zinc/03/96/59/732039659.db2.gz RZUYSTBWAJUMEC-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584810 732039661 /nfs/dbraw/zinc/03/96/61/732039661.db2.gz RZUYSTBWAJUMEC-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584810 732039666 /nfs/dbraw/zinc/03/96/66/732039666.db2.gz RZUYSTBWAJUMEC-GOSISDBHSA-N 2 1 360.527 3.260 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC000856776369 732058825 /nfs/dbraw/zinc/05/88/25/732058825.db2.gz QOSDKHJUUZITLT-QXAKKESOSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC000856776369 732058828 /nfs/dbraw/zinc/05/88/28/732058828.db2.gz QOSDKHJUUZITLT-QXAKKESOSA-N 2 1 358.917 3.464 20 0 FGADMP C[Si](C)(CC[NH+]1CCC12CCOCC2)CC[N@H+]1CCC12CCOCC2 ZINC000859280664 732303104 /nfs/dbraw/zinc/30/31/04/732303104.db2.gz MYLQECVNKIATRI-UHFFFAOYSA-N 2 1 366.622 3.205 20 0 FGADMP C[C@@H](CCc1cccnc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000866213538 733324869 /nfs/dbraw/zinc/32/48/69/733324869.db2.gz RXCVZCHNIPSMIV-PKOBYXMFSA-N 2 1 358.555 3.043 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872031019 735578881 /nfs/dbraw/zinc/57/88/81/735578881.db2.gz LBUAGICSTJWKRJ-DOTOQJQBSA-N 2 1 364.287 3.321 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872035135 735580022 /nfs/dbraw/zinc/58/00/22/735580022.db2.gz LODUDFDKYDGEHP-QGPMSJSTSA-N 2 1 367.331 3.458 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872064072 735583351 /nfs/dbraw/zinc/58/33/51/735583351.db2.gz WKNBNSBQRMYORJ-YOEHRIQHSA-N 2 1 364.287 3.093 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872147797 735595181 /nfs/dbraw/zinc/59/51/81/735595181.db2.gz DKUFIGWDJMHYGB-GXFFZTMASA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872147797 735595184 /nfs/dbraw/zinc/59/51/84/735595184.db2.gz DKUFIGWDJMHYGB-GXFFZTMASA-N 2 1 356.310 3.153 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743206 736713549 /nfs/dbraw/zinc/71/35/49/736713549.db2.gz IWPOQPXFDVAGBL-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743206 736713554 /nfs/dbraw/zinc/71/35/54/736713554.db2.gz IWPOQPXFDVAGBL-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743206 736713557 /nfs/dbraw/zinc/71/35/57/736713557.db2.gz IWPOQPXFDVAGBL-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743206 736713561 /nfs/dbraw/zinc/71/35/61/736713561.db2.gz IWPOQPXFDVAGBL-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411585 736828052 /nfs/dbraw/zinc/82/80/52/736828052.db2.gz LVMDSQILNXDVMU-CMKODMSKSA-N 2 1 350.547 3.205 20 0 FGADMP CCS(=O)(=O)c1ccc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC000879703378 737035353 /nfs/dbraw/zinc/03/53/53/737035353.db2.gz KBOFPBZPHLINOJ-UHFFFAOYSA-N 2 1 366.571 3.280 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000883360023 737557756 /nfs/dbraw/zinc/55/77/56/737557756.db2.gz SGUIPXZJWHRPLV-BPLDGKMQSA-N 2 1 366.374 3.188 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000883360023 737557758 /nfs/dbraw/zinc/55/77/58/737557758.db2.gz SGUIPXZJWHRPLV-BPLDGKMQSA-N 2 1 366.374 3.188 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC000883434749 737566534 /nfs/dbraw/zinc/56/65/34/737566534.db2.gz ZVGGMIIYLCPKDH-JFIYKMOQSA-N 2 1 367.331 3.210 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886636084 739277850 /nfs/dbraw/zinc/27/78/50/739277850.db2.gz FWOAIFTYBMEPGV-FSTIHSPYSA-N 2 1 360.567 3.319 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)c1 ZINC000892697405 740033644 /nfs/dbraw/zinc/03/36/44/740033644.db2.gz SDCIYIYYIKOCHQ-OALUTQOASA-N 2 1 350.478 3.250 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000894858414 742343500 /nfs/dbraw/zinc/34/35/00/742343500.db2.gz FPRDFLOVJZMSEK-JONQDZQNSA-N 2 1 364.452 3.218 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)s1 ZINC000896931112 742617563 /nfs/dbraw/zinc/61/75/63/742617563.db2.gz DPJPPLGMPUYCOG-HOCLYGCPSA-N 2 1 365.543 3.105 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C[C@H]1CC[NH3+] ZINC000903495914 743856255 /nfs/dbraw/zinc/85/62/55/743856255.db2.gz BVKXNACGFXJPMP-DGCLKSJQSA-N 2 1 354.376 3.172 20 0 FGADMP Fc1ccc([C@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769289 743882045 /nfs/dbraw/zinc/88/20/45/743882045.db2.gz BQGSJDGWTQLZBO-DLBZAZTESA-N 2 1 350.453 3.303 20 0 FGADMP C[C@@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000903972654 743907179 /nfs/dbraw/zinc/90/71/79/743907179.db2.gz JBHLAMVDMZWOMO-WMLDXEAASA-N 2 1 367.331 3.301 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(F)(F)F ZINC000905135132 743995618 /nfs/dbraw/zinc/99/56/18/743995618.db2.gz VJMQSXMIBFGMRG-SNPRPXQTSA-N 2 1 350.450 3.424 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(F)(F)F ZINC000905135132 743995619 /nfs/dbraw/zinc/99/56/19/743995619.db2.gz VJMQSXMIBFGMRG-SNPRPXQTSA-N 2 1 350.450 3.424 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CCCC2)CC1 ZINC000921716563 758777844 /nfs/dbraw/zinc/77/78/44/758777844.db2.gz XSCWKJJRRBLTTQ-GUDVDZBRSA-N 2 1 350.547 3.205 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388528 758910402 /nfs/dbraw/zinc/91/04/02/758910402.db2.gz QUNZSDBPCSPEPW-NNFUDEMPSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391100 758911283 /nfs/dbraw/zinc/91/12/83/758911283.db2.gz RZQKONQSBZDYRO-PHNROFDPSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@@H]1C(C)C ZINC000922393683 758913860 /nfs/dbraw/zinc/91/38/60/758913860.db2.gz SDQFGRFCEKSDLB-JHNDHUHGSA-N 2 1 371.319 3.002 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@H]1C(C)C ZINC000922396987 758914847 /nfs/dbraw/zinc/91/48/47/758914847.db2.gz ZXTAHDBKWYEDCP-HNBVOPMISA-N 2 1 359.539 3.256 20 0 FGADMP C[C@H]1C[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@@H]1C[NH3+] ZINC000923492669 759131036 /nfs/dbraw/zinc/13/10/36/759131036.db2.gz YNQXQRVPNFKERN-WDEREUQCSA-N 2 1 355.269 3.460 20 0 FGADMP C[C@H]1C[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@@H]1C[NH3+] ZINC000923492669 759131042 /nfs/dbraw/zinc/13/10/42/759131042.db2.gz YNQXQRVPNFKERN-WDEREUQCSA-N 2 1 355.269 3.460 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923499024 759132200 /nfs/dbraw/zinc/13/22/00/759132200.db2.gz QELHUEXAJCSHBJ-XJKSGUPXSA-N 2 1 359.495 3.013 20 0 FGADMP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924632638 759365490 /nfs/dbraw/zinc/36/54/90/759365490.db2.gz SEPJEUVYKHMPGS-ROUUACIJSA-N 2 1 352.954 3.438 20 0 FGADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925784475 759537485 /nfs/dbraw/zinc/53/74/85/759537485.db2.gz SBJUQDNILHAYIX-YMTOWFKASA-N 2 1 363.221 3.410 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(Cc3nnc(-c4ccc(Cl)cc4Cl)o3)C[C@@H]2C1 ZINC000931434223 760860492 /nfs/dbraw/zinc/86/04/92/760860492.db2.gz QMECZVFREDDSFN-NEPJUHHUSA-N 2 1 367.280 3.427 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(Cl)s3)CC2(C)C)CC[N@@H+]1C ZINC000974586406 763033566 /nfs/dbraw/zinc/03/35/66/763033566.db2.gz FBHGVWSHAFSESD-BPLDGKMQSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(Cl)s3)CC2(C)C)CC[N@H+]1C ZINC000974586406 763033572 /nfs/dbraw/zinc/03/35/72/763033572.db2.gz FBHGVWSHAFSESD-BPLDGKMQSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)s3)CC2(C)C)CC[NH+]1C ZINC000974586406 763033583 /nfs/dbraw/zinc/03/35/83/763033583.db2.gz FBHGVWSHAFSESD-BPLDGKMQSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)s3)CC2(C)C)CC[NH+]1C ZINC000974586406 763033590 /nfs/dbraw/zinc/03/35/90/763033590.db2.gz FBHGVWSHAFSESD-BPLDGKMQSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001027893047 766104826 /nfs/dbraw/zinc/10/48/26/766104826.db2.gz LEILMAOFXXHWPT-CWRNSKLLSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001027893047 766104831 /nfs/dbraw/zinc/10/48/31/766104831.db2.gz LEILMAOFXXHWPT-CWRNSKLLSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001027893047 766104835 /nfs/dbraw/zinc/10/48/35/766104835.db2.gz LEILMAOFXXHWPT-CWRNSKLLSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001027893047 766104838 /nfs/dbraw/zinc/10/48/38/766104838.db2.gz LEILMAOFXXHWPT-CWRNSKLLSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](C)Cc3ccsc3)CC2)CC[N@H+]1C ZINC001029966339 766159118 /nfs/dbraw/zinc/15/91/18/766159118.db2.gz QSRXCTXPKJIUGJ-RBUKOAKNSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@H+](C)Cc3ccsc3)CC2)CC[NH+]1C ZINC001029966339 766159124 /nfs/dbraw/zinc/15/91/24/766159124.db2.gz QSRXCTXPKJIUGJ-RBUKOAKNSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[N@@H+](C)Cc3ccsc3)CC2)CC[NH+]1C ZINC001029966339 766159130 /nfs/dbraw/zinc/15/91/30/766159130.db2.gz QSRXCTXPKJIUGJ-RBUKOAKNSA-N 2 1 363.571 3.149 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2sccc2Cl)C1 ZINC001033834929 766223077 /nfs/dbraw/zinc/22/30/77/766223077.db2.gz UNZKDGSOFUELPE-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2sccc2Cl)C1 ZINC001033834929 766223079 /nfs/dbraw/zinc/22/30/79/766223079.db2.gz UNZKDGSOFUELPE-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC001033834929 766223082 /nfs/dbraw/zinc/22/30/82/766223082.db2.gz UNZKDGSOFUELPE-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2sccc2Cl)C1 ZINC001033834929 766223084 /nfs/dbraw/zinc/22/30/84/766223084.db2.gz UNZKDGSOFUELPE-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP Cc1cc(C[NH+]2CCC(C)(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001045445194 766537825 /nfs/dbraw/zinc/53/78/25/766537825.db2.gz YTMGIBHSDJXFQA-CRAIPNDOSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000359990207 223143102 /nfs/dbraw/zinc/14/31/02/223143102.db2.gz AQRXMUZPFLZBEW-CABCVRRESA-N 2 1 363.303 3.122 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000359990207 223143105 /nfs/dbraw/zinc/14/31/05/223143105.db2.gz AQRXMUZPFLZBEW-CABCVRRESA-N 2 1 363.303 3.122 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+]C1CC[NH+](C3CC3)CC1)CO2 ZINC000102420460 257350574 /nfs/dbraw/zinc/35/05/74/257350574.db2.gz QOIIXBQUMGTBRI-UHFFFAOYSA-N 2 1 363.299 3.441 20 0 FGADMP C[C@@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555302 257380047 /nfs/dbraw/zinc/38/00/47/257380047.db2.gz FLQSRXSSCODFFR-DUXKGJEZSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102806 222160316 /nfs/dbraw/zinc/16/03/16/222160316.db2.gz BXELFMDGJJUYMT-XLIONFOSSA-N 2 1 361.493 3.163 20 0 FGADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000570823041 505589147 /nfs/dbraw/zinc/58/91/47/505589147.db2.gz DGUXIMIAFZBERM-HXUWFJFHSA-N 2 1 369.509 3.000 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC[N@H+]1C ZINC000573676189 505594619 /nfs/dbraw/zinc/59/46/19/505594619.db2.gz BHQTXIRREGBCIC-FGTMMUONSA-N 2 1 351.494 3.228 20 0 FGADMP CCc1nc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)sc1C ZINC000568193370 505640348 /nfs/dbraw/zinc/64/03/48/505640348.db2.gz HFEQRCVSOZHXTH-UHFFFAOYSA-N 2 1 364.559 3.149 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000573917775 505651087 /nfs/dbraw/zinc/65/10/87/505651087.db2.gz FWSKWVAMQFPDNU-GCJKJVERSA-N 2 1 370.541 3.095 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCc4cncn4C3)cc2)C1 ZINC000577066441 505656430 /nfs/dbraw/zinc/65/64/30/505656430.db2.gz SKFAYYDXLXMCHU-AEFFLSMTSA-N 2 1 352.482 3.316 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035805 505666709 /nfs/dbraw/zinc/66/67/09/505666709.db2.gz MSAMOSRZQBIFAG-OXJNMPFZSA-N 2 1 351.485 3.169 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(F)c1 ZINC000580047538 505669806 /nfs/dbraw/zinc/66/98/06/505669806.db2.gz NPDBKWCOUDEMCT-SFHVURJKSA-N 2 1 370.472 3.133 20 0 FGADMP Cc1ccccc1[C@@H](N)C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000571204379 505679021 /nfs/dbraw/zinc/67/90/21/505679021.db2.gz WLQOESHBFYKQDY-OAQYLSRUSA-N 2 1 362.477 3.352 20 0 FGADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120282 493827463 /nfs/dbraw/zinc/82/74/63/493827463.db2.gz QGGSXBVKOQDNIK-QFBILLFUSA-N 2 1 361.530 3.350 20 0 FGADMP Cc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120282 493827465 /nfs/dbraw/zinc/82/74/65/493827465.db2.gz QGGSXBVKOQDNIK-QFBILLFUSA-N 2 1 361.530 3.350 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096466 493831331 /nfs/dbraw/zinc/83/13/31/493831331.db2.gz MATSMJFRNRXIBD-WIYYLYMNSA-N 2 1 357.542 3.475 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096466 493831337 /nfs/dbraw/zinc/83/13/37/493831337.db2.gz MATSMJFRNRXIBD-WIYYLYMNSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096466 493831338 /nfs/dbraw/zinc/83/13/38/493831338.db2.gz MATSMJFRNRXIBD-WIYYLYMNSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096466 493831343 /nfs/dbraw/zinc/83/13/43/493831343.db2.gz MATSMJFRNRXIBD-WIYYLYMNSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000076387761 493880648 /nfs/dbraw/zinc/88/06/48/493880648.db2.gz CNMVLFCOEHDYBZ-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000058880885 493890648 /nfs/dbraw/zinc/89/06/48/493890648.db2.gz AYCNWQDPVQKJFL-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000058880885 493890651 /nfs/dbraw/zinc/89/06/51/493890651.db2.gz AYCNWQDPVQKJFL-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000058880885 493890654 /nfs/dbraw/zinc/89/06/54/493890654.db2.gz AYCNWQDPVQKJFL-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000069017221 493907069 /nfs/dbraw/zinc/90/70/69/493907069.db2.gz UTBQHJIHQOXGGT-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1C ZINC000069017221 493907073 /nfs/dbraw/zinc/90/70/73/493907073.db2.gz UTBQHJIHQOXGGT-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000050988639 493940425 /nfs/dbraw/zinc/94/04/25/493940425.db2.gz HTKJSWRXBUMVNG-UHFFFAOYSA-N 2 1 369.553 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C(C2CC2)C2CC2)CC1 ZINC000050988639 493940430 /nfs/dbraw/zinc/94/04/30/493940430.db2.gz HTKJSWRXBUMVNG-UHFFFAOYSA-N 2 1 369.553 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C(C2CC2)C2CC2)CC1 ZINC000050988639 493940433 /nfs/dbraw/zinc/94/04/33/493940433.db2.gz HTKJSWRXBUMVNG-UHFFFAOYSA-N 2 1 369.553 3.150 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051125110 493949520 /nfs/dbraw/zinc/94/95/20/493949520.db2.gz NIAVTIDUUSRSCJ-NRFANRHFSA-N 2 1 357.542 3.340 20 0 FGADMP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000061166277 493968673 /nfs/dbraw/zinc/96/86/73/493968673.db2.gz ANPWTFGHVUZWNY-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000061166277 493968675 /nfs/dbraw/zinc/96/86/75/493968675.db2.gz ANPWTFGHVUZWNY-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000081939845 493970518 /nfs/dbraw/zinc/97/05/18/493970518.db2.gz DXEQAMUSTMQOMS-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000081939845 493970522 /nfs/dbraw/zinc/97/05/22/493970522.db2.gz DXEQAMUSTMQOMS-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000070170499 494042676 /nfs/dbraw/zinc/04/26/76/494042676.db2.gz CCBCEWMAHQLPNH-LLVKDONJSA-N 2 1 374.710 3.102 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000070170499 494042680 /nfs/dbraw/zinc/04/26/80/494042680.db2.gz CCBCEWMAHQLPNH-LLVKDONJSA-N 2 1 374.710 3.102 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000580184722 505698472 /nfs/dbraw/zinc/69/84/72/505698472.db2.gz QFAYQJKTYOJJOW-OAHLLOKOSA-N 2 1 353.457 3.395 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000085400716 494120924 /nfs/dbraw/zinc/12/09/24/494120924.db2.gz AYDOETGCYIEAEH-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000086368761 494150005 /nfs/dbraw/zinc/15/00/05/494150005.db2.gz XVHTVPYNCWDASW-SJORKVTESA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000086368096 494150631 /nfs/dbraw/zinc/15/06/31/494150631.db2.gz UTVWXGWJFGVPDI-CWFSZBLJSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000086368096 494150635 /nfs/dbraw/zinc/15/06/35/494150635.db2.gz UTVWXGWJFGVPDI-CWFSZBLJSA-N 2 1 367.497 3.168 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000072694631 494235209 /nfs/dbraw/zinc/23/52/09/494235209.db2.gz BZBAWIPQTJVSBC-UHFFFAOYSA-N 2 1 357.498 3.173 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000088734686 494256907 /nfs/dbraw/zinc/25/69/07/494256907.db2.gz INPMRZKTHAIECR-UHFFFAOYSA-N 3 1 369.557 3.294 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000089158361 494270782 /nfs/dbraw/zinc/27/07/82/494270782.db2.gz XVMCRCXGMWOAON-UTKZUKDTSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000089158361 494270785 /nfs/dbraw/zinc/27/07/85/494270785.db2.gz XVMCRCXGMWOAON-UTKZUKDTSA-N 2 1 355.526 3.030 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000043168304 494274516 /nfs/dbraw/zinc/27/45/16/494274516.db2.gz OHRVWVGLQCUDCU-UHFFFAOYSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000073036010 494310025 /nfs/dbraw/zinc/31/00/25/494310025.db2.gz CWEJQBUTBFFWTC-KRWDZBQOSA-N 2 1 372.557 3.233 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000043860115 494325610 /nfs/dbraw/zinc/32/56/10/494325610.db2.gz IWUOQXUIABHXPU-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000073676687 494411969 /nfs/dbraw/zinc/41/19/69/494411969.db2.gz GVDQZSURFPMACX-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000073800482 494431212 /nfs/dbraw/zinc/43/12/12/494431212.db2.gz GQCPGPHIUOZYOZ-UWJYYQICSA-N 2 1 373.541 3.069 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073819733 494434458 /nfs/dbraw/zinc/43/44/58/494434458.db2.gz DWZNMIWRMUSDBZ-IRFCIJBXSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073819733 494434462 /nfs/dbraw/zinc/43/44/62/494434462.db2.gz DWZNMIWRMUSDBZ-IRFCIJBXSA-N 2 1 372.557 3.195 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000073819733 494434466 /nfs/dbraw/zinc/43/44/66/494434466.db2.gz DWZNMIWRMUSDBZ-IRFCIJBXSA-N 2 1 372.557 3.195 20 0 FGADMP FC(F)(F)CN1CC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079639736 494498764 /nfs/dbraw/zinc/49/87/64/494498764.db2.gz MHDQTVYOYDWBND-QGZVFWFLSA-N 2 1 355.448 3.125 20 0 FGADMP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090938677 494505411 /nfs/dbraw/zinc/50/54/11/494505411.db2.gz DCEXBUZDANQZMT-KRWDZBQOSA-N 2 1 368.525 3.172 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568575483 505725882 /nfs/dbraw/zinc/72/58/82/505725882.db2.gz CFMSXOYAEQZLFR-KNQAVFIVSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568575483 505725885 /nfs/dbraw/zinc/72/58/85/505725885.db2.gz CFMSXOYAEQZLFR-KNQAVFIVSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568575483 505725889 /nfs/dbraw/zinc/72/58/89/505725889.db2.gz CFMSXOYAEQZLFR-KNQAVFIVSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000067421421 494538274 /nfs/dbraw/zinc/53/82/74/494538274.db2.gz MKIYJPJLRJSSJD-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067421421 494538279 /nfs/dbraw/zinc/53/82/79/494538279.db2.gz MKIYJPJLRJSSJD-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067421421 494538283 /nfs/dbraw/zinc/53/82/83/494538283.db2.gz MKIYJPJLRJSSJD-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000092380948 494610155 /nfs/dbraw/zinc/61/01/55/494610155.db2.gz KOICGBWDIXTNQC-UHFFFAOYSA-N 2 1 365.319 3.261 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000080166700 494622736 /nfs/dbraw/zinc/62/27/36/494622736.db2.gz UCMAJBYDBPSIPQ-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115828595 494634444 /nfs/dbraw/zinc/63/44/44/494634444.db2.gz UEVQKDKUFDROMG-QZTJIDSGSA-N 2 1 360.546 3.099 20 0 FGADMP Cc1ccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)C)s1 ZINC000092485302 494642336 /nfs/dbraw/zinc/64/23/36/494642336.db2.gz WPVGJLVORVHXJN-UHFFFAOYSA-N 2 1 359.543 3.009 20 0 FGADMP Cc1ccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C(C)C)s1 ZINC000092485302 494642344 /nfs/dbraw/zinc/64/23/44/494642344.db2.gz WPVGJLVORVHXJN-UHFFFAOYSA-N 2 1 359.543 3.009 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165563 494659676 /nfs/dbraw/zinc/65/96/76/494659676.db2.gz OZLDLTXMDSRWNF-UWJYYQICSA-N 2 1 361.493 3.364 20 0 FGADMP CCOC(=O)CC[N@@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CC1 ZINC000092532324 494661648 /nfs/dbraw/zinc/66/16/48/494661648.db2.gz HRDWPVYXOVULKS-UHFFFAOYSA-N 2 1 373.541 3.135 20 0 FGADMP COCC[N@H+](Cc1ccco1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092562264 494671064 /nfs/dbraw/zinc/67/10/64/494671064.db2.gz CCKRNBVYOSGWRV-UHFFFAOYSA-N 2 1 371.525 3.459 20 0 FGADMP COCC[N@@H+](Cc1ccco1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092562264 494671067 /nfs/dbraw/zinc/67/10/67/494671067.db2.gz CCKRNBVYOSGWRV-UHFFFAOYSA-N 2 1 371.525 3.459 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000075181013 494702703 /nfs/dbraw/zinc/70/27/03/494702703.db2.gz QGOSXFWPGXRQDI-NRFANRHFSA-N 2 1 351.494 3.095 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000108549532 494735874 /nfs/dbraw/zinc/73/58/74/494735874.db2.gz GYAHJQGBONCWFH-NRFANRHFSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000025417743 494739405 /nfs/dbraw/zinc/73/94/05/494739405.db2.gz NCDSOEGITDQQAG-LJQANCHMSA-N 2 1 365.521 3.288 20 0 FGADMP Brc1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492675 505739315 /nfs/dbraw/zinc/73/93/15/505739315.db2.gz NFLOAZOTOSCNRN-HUUCEWRRSA-N 2 1 365.315 3.206 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C[C@H](C)O1 ZINC000131920580 494773117 /nfs/dbraw/zinc/77/31/17/494773117.db2.gz WMGGCUVLNPSRQV-IRXDYDNUSA-N 2 1 356.514 3.274 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066205 494773349 /nfs/dbraw/zinc/77/33/49/494773349.db2.gz KGRYZECIQAFZGB-NQIIRXRSSA-N 2 1 351.498 3.024 20 0 FGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066205 494773358 /nfs/dbraw/zinc/77/33/58/494773358.db2.gz KGRYZECIQAFZGB-NQIIRXRSSA-N 2 1 351.498 3.024 20 0 FGADMP Cc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1-n1cncn1 ZINC000092066205 494773364 /nfs/dbraw/zinc/77/33/64/494773364.db2.gz KGRYZECIQAFZGB-NQIIRXRSSA-N 2 1 351.498 3.024 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000126676195 494817077 /nfs/dbraw/zinc/81/70/77/494817077.db2.gz AFOPFFGUUAYUCV-OAQYLSRUSA-N 2 1 369.509 3.433 20 0 FGADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484360 505744082 /nfs/dbraw/zinc/74/40/82/505744082.db2.gz QXAYZSLSKVOOIK-GHTZIAJQSA-N 2 1 374.573 3.181 20 0 FGADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484360 505744085 /nfs/dbraw/zinc/74/40/85/505744085.db2.gz QXAYZSLSKVOOIK-GHTZIAJQSA-N 2 1 374.573 3.181 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000121804939 494863531 /nfs/dbraw/zinc/86/35/31/494863531.db2.gz QKTUXNYUFIUXBS-UHFFFAOYSA-N 2 1 365.481 3.274 20 0 FGADMP COc1ccc([C@H]2C[C@H](C)C[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862663 494877404 /nfs/dbraw/zinc/87/74/04/494877404.db2.gz COOWSOXVQGEHNZ-LAUBAEHRSA-N 2 1 373.541 3.067 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000109482056 494881016 /nfs/dbraw/zinc/88/10/16/494881016.db2.gz LVTKGCNEBPZFJV-QZTJIDSGSA-N 2 1 366.594 3.259 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392829 505748127 /nfs/dbraw/zinc/74/81/27/505748127.db2.gz YYBBTMBGCWWUIT-BJESRGMDSA-N 2 1 372.553 3.462 20 0 FGADMP CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613968 494904821 /nfs/dbraw/zinc/90/48/21/494904821.db2.gz PLUMCOVXMLDYQU-RTWAWAEBSA-N 2 1 374.569 3.397 20 0 FGADMP CCO[C@H]1C[C@@H](O)C12CC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613968 494904825 /nfs/dbraw/zinc/90/48/25/494904825.db2.gz PLUMCOVXMLDYQU-RTWAWAEBSA-N 2 1 374.569 3.397 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C3CCN(C4CC4)CC3)o2)cc1 ZINC000132928807 494944300 /nfs/dbraw/zinc/94/43/00/494944300.db2.gz IWVTZDUYWBYPNC-UHFFFAOYSA-N 2 1 354.450 3.450 20 0 FGADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000133742705 495055045 /nfs/dbraw/zinc/05/50/45/495055045.db2.gz JZSXXRSHBIFXOC-NRFANRHFSA-N 2 1 357.542 3.429 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC2(CCC2)C1 ZINC000123025981 495069130 /nfs/dbraw/zinc/06/91/30/495069130.db2.gz NLJQUOARXJWOLB-GOSISDBHSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123342297 495117462 /nfs/dbraw/zinc/11/74/62/495117462.db2.gz ROHJTQAGZIMZLX-AWEZNQCLSA-N 2 1 353.457 3.346 20 0 FGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000128572833 495118939 /nfs/dbraw/zinc/11/89/39/495118939.db2.gz FROAGILBCLDKNZ-SFHVURJKSA-N 2 1 355.473 3.356 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[NH+]2CC)CC1 ZINC000111884038 495125686 /nfs/dbraw/zinc/12/56/86/495125686.db2.gz XYSIRQBWVRDIHA-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000111884038 495125690 /nfs/dbraw/zinc/12/56/90/495125690.db2.gz XYSIRQBWVRDIHA-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000111884038 495125692 /nfs/dbraw/zinc/12/56/92/495125692.db2.gz XYSIRQBWVRDIHA-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000128838633 495157167 /nfs/dbraw/zinc/15/71/67/495157167.db2.gz FQAWVKAQLGHLKE-UTKZUKDTSA-N 2 1 374.573 3.052 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000128909382 495167801 /nfs/dbraw/zinc/16/78/01/495167801.db2.gz WYFXVRJACBGHBM-UHFFFAOYSA-N 2 1 368.403 3.211 20 0 FGADMP C[N@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000103092086 495192699 /nfs/dbraw/zinc/19/26/99/495192699.db2.gz ZPHQYXVIJUJWBD-NRFANRHFSA-N 2 1 357.542 3.233 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000103092086 495192703 /nfs/dbraw/zinc/19/27/03/495192703.db2.gz ZPHQYXVIJUJWBD-NRFANRHFSA-N 2 1 357.542 3.233 20 0 FGADMP CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)Nc1ccnc(C)c1 ZINC000119609591 495200916 /nfs/dbraw/zinc/20/09/16/495200916.db2.gz YOVQVXGUDRXIIE-UHFFFAOYSA-N 2 1 369.469 3.185 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3F)cn2)CC1 ZINC000112529192 495201647 /nfs/dbraw/zinc/20/16/47/495201647.db2.gz IDRHHEFVXVRYLV-HNNXBMFYSA-N 2 1 360.452 3.353 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1Cl ZINC000112542263 495203370 /nfs/dbraw/zinc/20/33/70/495203370.db2.gz VAPOAKHPKSMIOS-OAHLLOKOSA-N 2 1 359.901 3.482 20 0 FGADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154830 495203791 /nfs/dbraw/zinc/20/37/91/495203791.db2.gz XYXZKSNSRJYEPD-KRWDZBQOSA-N 2 1 353.514 3.015 20 0 FGADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154830 495203794 /nfs/dbraw/zinc/20/37/94/495203794.db2.gz XYXZKSNSRJYEPD-KRWDZBQOSA-N 2 1 353.514 3.015 20 0 FGADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154830 495203799 /nfs/dbraw/zinc/20/37/99/495203799.db2.gz XYXZKSNSRJYEPD-KRWDZBQOSA-N 2 1 353.514 3.015 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1F ZINC000112545890 495203808 /nfs/dbraw/zinc/20/38/08/495203808.db2.gz LJQZWNZCYLIHBX-LPHOPBHVSA-N 2 1 369.484 3.374 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000129420121 495243229 /nfs/dbraw/zinc/24/32/29/495243229.db2.gz JYSBZTARXRTYLB-NYLDSWQDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)C1 ZINC000129459460 495247872 /nfs/dbraw/zinc/24/78/72/495247872.db2.gz MEBFNELFJLEVQT-GHTZIAJQSA-N 2 1 372.557 3.012 20 0 FGADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)[NH+](C)C ZINC000129549336 495260627 /nfs/dbraw/zinc/26/06/27/495260627.db2.gz YQNKFESFJBKIHF-FQEVSTJZSA-N 2 1 357.498 3.114 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000135367227 495283143 /nfs/dbraw/zinc/28/31/43/495283143.db2.gz LDNGFKQZRWRKKN-NRFANRHFSA-N 2 1 357.542 3.074 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000105112989 495337595 /nfs/dbraw/zinc/33/75/95/495337595.db2.gz GGBCIHWWDWRIFK-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP COC(=O)[C@@H](c1ccccc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130105416 495342107 /nfs/dbraw/zinc/34/21/07/495342107.db2.gz UEPPSPNOEUNELG-HXUWFJFHSA-N 2 1 353.466 3.144 20 0 FGADMP COC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000130105416 495342109 /nfs/dbraw/zinc/34/21/09/495342109.db2.gz UEPPSPNOEUNELG-HXUWFJFHSA-N 2 1 353.466 3.144 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000114475774 495381022 /nfs/dbraw/zinc/38/10/22/495381022.db2.gz FCFPSAIHWRVEFB-UHFFFAOYSA-N 2 1 374.529 3.027 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(NC(C)=O)cc2)CC1 ZINC000114475774 495381024 /nfs/dbraw/zinc/38/10/24/495381024.db2.gz FCFPSAIHWRVEFB-UHFFFAOYSA-N 2 1 374.529 3.027 20 0 FGADMP Cc1cc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000125146215 495397517 /nfs/dbraw/zinc/39/75/17/495397517.db2.gz NRNZIOHPLUXGNV-GOSISDBHSA-N 2 1 356.489 3.289 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000136749271 495399260 /nfs/dbraw/zinc/39/92/60/495399260.db2.gz PHUIPEOOYXREOS-NHCUHLMSSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000136749271 495399263 /nfs/dbraw/zinc/39/92/63/495399263.db2.gz PHUIPEOOYXREOS-NHCUHLMSSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000136749271 495399264 /nfs/dbraw/zinc/39/92/64/495399264.db2.gz PHUIPEOOYXREOS-NHCUHLMSSA-N 2 1 372.557 3.153 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000130562707 495411289 /nfs/dbraw/zinc/41/12/89/495411289.db2.gz ATZDYRZAAPVNOR-ZDUSSCGKSA-N 2 1 366.412 3.142 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000130562707 495411293 /nfs/dbraw/zinc/41/12/93/495411293.db2.gz ATZDYRZAAPVNOR-ZDUSSCGKSA-N 2 1 366.412 3.142 20 0 FGADMP c1ccc([C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)cc1 ZINC000120600217 495414843 /nfs/dbraw/zinc/41/48/43/495414843.db2.gz HGNNHGSXCJXGPN-QHCPKHFHSA-N 2 1 371.569 3.447 20 0 FGADMP CSc1ccccc1NC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164568 495422829 /nfs/dbraw/zinc/42/28/29/495422829.db2.gz YMVQFHCQOPDJPZ-UHFFFAOYSA-N 2 1 372.538 3.425 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CCN(C(C)C)CC3)CC2)c1 ZINC000125339131 495428848 /nfs/dbraw/zinc/42/88/48/495428848.db2.gz VUUMLOLVMHTKQT-UHFFFAOYSA-N 2 1 372.601 3.360 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000130691801 495430374 /nfs/dbraw/zinc/43/03/74/495430374.db2.gz SJWAGZUPMLJDHW-IBGZPJMESA-N 2 1 372.488 3.091 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000130691801 495430378 /nfs/dbraw/zinc/43/03/78/495430378.db2.gz SJWAGZUPMLJDHW-IBGZPJMESA-N 2 1 372.488 3.091 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000120674753 495432210 /nfs/dbraw/zinc/43/22/10/495432210.db2.gz NHDIJKSOXAQBRU-KGVIQGDOSA-N 2 1 359.558 3.226 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114834545 495433790 /nfs/dbraw/zinc/43/37/90/495433790.db2.gz CZWXUMCIUYIBRJ-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137426613 495440813 /nfs/dbraw/zinc/44/08/13/495440813.db2.gz IYGLZYXZQVFFSD-AZUAARDMSA-N 2 1 372.557 3.069 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC1 ZINC000137558602 495445495 /nfs/dbraw/zinc/44/54/95/495445495.db2.gz ZSEXNEVWBQBLOS-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000137558602 495445499 /nfs/dbraw/zinc/44/54/99/495445499.db2.gz ZSEXNEVWBQBLOS-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000137685050 495448548 /nfs/dbraw/zinc/44/85/48/495448548.db2.gz IPWZTCSRDVDHCX-SFHVURJKSA-N 2 1 359.514 3.222 20 0 FGADMP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530846 495464038 /nfs/dbraw/zinc/46/40/38/495464038.db2.gz RZUMEAINVLIESG-FPOVZHCZSA-N 2 1 370.541 3.140 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)C[NH+]1CCCCC1 ZINC000125607559 495470014 /nfs/dbraw/zinc/47/00/14/495470014.db2.gz YTVVCJHYUUFLIP-HUUCEWRRSA-N 2 1 356.507 3.002 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(C(C)C)c(C)c3)C2)CC1 ZINC000107369695 495526214 /nfs/dbraw/zinc/52/62/14/495526214.db2.gz OLLWEJYOSIXVDS-FQEVSTJZSA-N 2 1 359.558 3.209 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCCCn2cc[nH+]c2C)[NH+]2CCCC2)o1 ZINC000176230888 495555807 /nfs/dbraw/zinc/55/58/07/495555807.db2.gz LUQMJDYLFLDNTH-GOSISDBHSA-N 2 1 373.501 3.009 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000182547983 495610040 /nfs/dbraw/zinc/61/00/40/495610040.db2.gz UOFSFQPHQXNTHU-CEXWTWQISA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000158946678 495622255 /nfs/dbraw/zinc/62/22/55/495622255.db2.gz QSIKDCPIKALGNN-YOEHRIQHSA-N 2 1 358.404 3.380 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853094 505793640 /nfs/dbraw/zinc/79/36/40/505793640.db2.gz XIBYGXCTMGQMAC-RTBURBONSA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853094 505793649 /nfs/dbraw/zinc/79/36/49/505793649.db2.gz XIBYGXCTMGQMAC-RTBURBONSA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)COc3ccccc3)C2)s1 ZINC000568853094 505793654 /nfs/dbraw/zinc/79/36/54/505793654.db2.gz XIBYGXCTMGQMAC-RTBURBONSA-N 2 1 374.550 3.250 20 0 FGADMP CCc1nc2c(s1)[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)CCC2 ZINC000154494618 495635275 /nfs/dbraw/zinc/63/52/75/495635275.db2.gz CFXBJYSEYVPCFX-INIZCTEOSA-N 2 1 350.576 3.090 20 0 FGADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631676 495654062 /nfs/dbraw/zinc/65/40/62/495654062.db2.gz KEQKMWZYKKRJGZ-QFBILLFUSA-N 2 1 361.555 3.294 20 0 FGADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150852590 495656435 /nfs/dbraw/zinc/65/64/35/495656435.db2.gz PVUQJBAXEDWADL-HUUCEWRRSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150852590 495656441 /nfs/dbraw/zinc/65/64/41/495656441.db2.gz PVUQJBAXEDWADL-HUUCEWRRSA-N 2 1 373.324 3.151 20 0 FGADMP Brc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150861925 495659798 /nfs/dbraw/zinc/65/97/98/495659798.db2.gz LGFQZYAOXVNRKD-OAHLLOKOSA-N 2 1 353.304 3.246 20 0 FGADMP Brc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150861925 495659802 /nfs/dbraw/zinc/65/98/02/495659802.db2.gz LGFQZYAOXVNRKD-OAHLLOKOSA-N 2 1 353.304 3.246 20 0 FGADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000159125893 495664195 /nfs/dbraw/zinc/66/41/95/495664195.db2.gz AHMYIFQLOUJVMN-GOSISDBHSA-N 2 1 356.432 3.169 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000185671538 495672460 /nfs/dbraw/zinc/67/24/60/495672460.db2.gz LJHPQGAYHIVTRX-IJEWVQPXSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000185671538 495672469 /nfs/dbraw/zinc/67/24/69/495672469.db2.gz LJHPQGAYHIVTRX-IJEWVQPXSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](C)C2)CC1 ZINC000179686990 495690537 /nfs/dbraw/zinc/69/05/37/495690537.db2.gz ISBKHUHWDWPVJO-PKOBYXMFSA-N 2 1 357.542 3.054 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccnc1Cl ZINC000185713652 495693315 /nfs/dbraw/zinc/69/33/15/495693315.db2.gz WVHBGUXCIUQYSR-SOUVJXGZSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccnc1Cl ZINC000185713652 495693321 /nfs/dbraw/zinc/69/33/21/495693321.db2.gz WVHBGUXCIUQYSR-SOUVJXGZSA-N 2 1 364.921 3.305 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000154738092 495712725 /nfs/dbraw/zinc/71/27/25/495712725.db2.gz SQVCAGFEOFZCAY-NHCUHLMSSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000154738092 495712729 /nfs/dbraw/zinc/71/27/29/495712729.db2.gz SQVCAGFEOFZCAY-NHCUHLMSSA-N 2 1 360.542 3.179 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000182820147 495716337 /nfs/dbraw/zinc/71/63/37/495716337.db2.gz YGDWLOUVHKCWEU-NSHGMRRFSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000182820147 495716340 /nfs/dbraw/zinc/71/63/40/495716340.db2.gz YGDWLOUVHKCWEU-NSHGMRRFSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000182820147 495716342 /nfs/dbraw/zinc/71/63/42/495716342.db2.gz YGDWLOUVHKCWEU-NSHGMRRFSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000182820147 495716344 /nfs/dbraw/zinc/71/63/44/495716344.db2.gz YGDWLOUVHKCWEU-NSHGMRRFSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858536 495722519 /nfs/dbraw/zinc/72/25/19/495722519.db2.gz GXPIOQBGIPUPAH-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP COCC1=CC[NH+](Cc2ccc(C[N@@H+]3CC=C(COC)CC3)cc2)CC1 ZINC000185819795 495735789 /nfs/dbraw/zinc/73/57/89/495735789.db2.gz HSZYKGZOMKJBCL-UHFFFAOYSA-N 2 1 356.510 3.244 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171174192 495753986 /nfs/dbraw/zinc/75/39/86/495753986.db2.gz URKLHCNEROXYHH-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000577847181 505804118 /nfs/dbraw/zinc/80/41/18/505804118.db2.gz ZSZDVIOSQMDUFZ-CMKODMSKSA-N 2 1 363.933 3.139 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Cn2c(C)nc3ccccc32)CC1 ZINC000171319077 495819465 /nfs/dbraw/zinc/81/94/65/495819465.db2.gz NARCYXUNUWPHDN-UHFFFAOYSA-N 2 1 356.514 3.315 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174116488 495826318 /nfs/dbraw/zinc/82/63/18/495826318.db2.gz RRIIJUYKNLOLLH-FQEVSTJZSA-N 2 1 357.542 3.420 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2cccs2)cc1 ZINC000183136181 495849808 /nfs/dbraw/zinc/84/98/08/495849808.db2.gz DJRSXIMGUPQOLB-BEFAXECRSA-N 2 1 371.506 3.471 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183155804 495859852 /nfs/dbraw/zinc/85/98/52/495859852.db2.gz UNJUPVGWFATFQQ-QHAWAJNXSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061116 495907819 /nfs/dbraw/zinc/90/78/19/495907819.db2.gz OCNBSNUCPRQKIR-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000177061116 495907800 /nfs/dbraw/zinc/90/78/00/495907800.db2.gz OCNBSNUCPRQKIR-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000177061116 495907802 /nfs/dbraw/zinc/90/78/02/495907802.db2.gz OCNBSNUCPRQKIR-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061116 495907810 /nfs/dbraw/zinc/90/78/10/495907810.db2.gz OCNBSNUCPRQKIR-BBRMVZONSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Oc3cnccn3)cc2)C[C@H](C)O1 ZINC000174414001 495947759 /nfs/dbraw/zinc/94/77/59/495947759.db2.gz VZYWLPHKXLZECP-HDICACEKSA-N 2 1 370.497 3.248 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000171689642 495990324 /nfs/dbraw/zinc/99/03/24/495990324.db2.gz IGXWCZVPQANRTP-UHFFFAOYSA-N 2 1 353.894 3.140 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)C2(C)CC2)CC1 ZINC000177248679 495993441 /nfs/dbraw/zinc/99/34/41/495993441.db2.gz YGPUCJJJIJOREC-SFHVURJKSA-N 2 1 357.542 3.196 20 0 FGADMP C[NH+]1CCC([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOC(C)(C)C2)CC1 ZINC000177291350 496007954 /nfs/dbraw/zinc/00/79/54/496007954.db2.gz XWXJFPYHAUKMKB-IBGZPJMESA-N 2 1 365.949 3.176 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000186468729 496009865 /nfs/dbraw/zinc/00/98/65/496009865.db2.gz QVHXCOAZDLSQSL-YADHBBJMSA-N 2 1 363.505 3.272 20 0 FGADMP C[NH+]1CCC([NH2+]CCSCCOc2cccc(Br)c2)CC1 ZINC000177325629 496018783 /nfs/dbraw/zinc/01/87/83/496018783.db2.gz XMGJEXRZKDWWHF-UHFFFAOYSA-N 2 1 373.360 3.245 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)C[C@H](C)O1 ZINC000177498150 496086456 /nfs/dbraw/zinc/08/64/56/496086456.db2.gz BACWPHROEIINDX-HOTGVXAUSA-N 2 1 374.485 3.041 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccccc4n3C)CC2)C[C@H](C)O1 ZINC000177500412 496088097 /nfs/dbraw/zinc/08/80/97/496088097.db2.gz KNFMSUKBYPGHIQ-HDICACEKSA-N 2 1 370.541 3.285 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccccc4n3C)CC2)C[C@H](C)O1 ZINC000177500412 496088101 /nfs/dbraw/zinc/08/81/01/496088101.db2.gz KNFMSUKBYPGHIQ-HDICACEKSA-N 2 1 370.541 3.285 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000171930259 496096152 /nfs/dbraw/zinc/09/61/52/496096152.db2.gz LRIWMEVMECGRRD-UHFFFAOYSA-N 2 1 356.514 3.305 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000171930259 496096155 /nfs/dbraw/zinc/09/61/55/496096155.db2.gz LRIWMEVMECGRRD-UHFFFAOYSA-N 2 1 356.514 3.305 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000174828878 496123676 /nfs/dbraw/zinc/12/36/76/496123676.db2.gz YQFVYZKSVCYSMR-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP CN(CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152369318 496130313 /nfs/dbraw/zinc/13/03/13/496130313.db2.gz XTPPTUUKSNZLKB-QAPCUYQASA-N 2 1 351.560 3.225 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000180788970 496146824 /nfs/dbraw/zinc/14/68/24/496146824.db2.gz JDVLPHCUQLWFKK-HXUWFJFHSA-N 2 1 357.498 3.434 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684275 496158407 /nfs/dbraw/zinc/15/84/07/496158407.db2.gz SIVQNMMYAXQKNB-YLJYHZDGSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000156248889 496197627 /nfs/dbraw/zinc/19/76/27/496197627.db2.gz DWTZJFFBMNIXOH-RBUKOAKNSA-N 2 1 357.542 3.073 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000172265369 496235572 /nfs/dbraw/zinc/23/55/72/496235572.db2.gz TZQNILAAYCYBDO-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780372 496237161 /nfs/dbraw/zinc/23/71/61/496237161.db2.gz OCICMPDKYJMKIE-TXPKVOOTSA-N 2 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780372 496237166 /nfs/dbraw/zinc/23/71/66/496237166.db2.gz OCICMPDKYJMKIE-TXPKVOOTSA-N 3 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780372 496237174 /nfs/dbraw/zinc/23/71/74/496237174.db2.gz OCICMPDKYJMKIE-TXPKVOOTSA-N 3 1 364.603 3.236 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000175084098 496241155 /nfs/dbraw/zinc/24/11/55/496241155.db2.gz QAYGFGWVEPIHDA-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000175084098 496241160 /nfs/dbraw/zinc/24/11/60/496241160.db2.gz QAYGFGWVEPIHDA-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000162183232 496310661 /nfs/dbraw/zinc/31/06/61/496310661.db2.gz LUGOOLKAEYTKAN-KRWDZBQOSA-N 2 1 355.320 3.290 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)[C@@H](CO)c1cccc(Br)c1 ZINC000162183232 496310664 /nfs/dbraw/zinc/31/06/64/496310664.db2.gz LUGOOLKAEYTKAN-KRWDZBQOSA-N 2 1 355.320 3.290 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1CC ZINC000175279490 496320813 /nfs/dbraw/zinc/32/08/13/496320813.db2.gz QCSUTTCWOYGYFG-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000175279490 496320819 /nfs/dbraw/zinc/32/08/19/496320819.db2.gz QCSUTTCWOYGYFG-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172562627 496341725 /nfs/dbraw/zinc/34/17/25/496341725.db2.gz OZAAMJXYPRDQHM-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172562627 496341734 /nfs/dbraw/zinc/34/17/34/496341734.db2.gz OZAAMJXYPRDQHM-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172562627 496341741 /nfs/dbraw/zinc/34/17/41/496341741.db2.gz OZAAMJXYPRDQHM-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000181294993 496343906 /nfs/dbraw/zinc/34/39/06/496343906.db2.gz SBYBWIZUZKNHKZ-GOSISDBHSA-N 2 1 368.525 3.068 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172608064 496361441 /nfs/dbraw/zinc/36/14/41/496361441.db2.gz LSSGLQZURXTTFK-UHFFFAOYSA-N 2 1 364.578 3.303 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000157095670 496404534 /nfs/dbraw/zinc/40/45/34/496404534.db2.gz MLHCXDCPPDEFTC-LEWJYISDSA-N 2 1 360.542 3.302 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000157095670 496404537 /nfs/dbraw/zinc/40/45/37/496404537.db2.gz MLHCXDCPPDEFTC-LEWJYISDSA-N 2 1 360.542 3.302 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+]1CCCC1 ZINC000175515132 496421673 /nfs/dbraw/zinc/42/16/73/496421673.db2.gz XSKQRJAVUSUKOM-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(CC)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000157261791 496440553 /nfs/dbraw/zinc/44/05/53/496440553.db2.gz DPWAURXDFKGFAI-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000157261791 496440560 /nfs/dbraw/zinc/44/05/60/496440560.db2.gz DPWAURXDFKGFAI-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163218644 496483594 /nfs/dbraw/zinc/48/35/94/496483594.db2.gz YBIPIFXPPOPZTN-YLJYHZDGSA-N 2 1 356.514 3.229 20 0 FGADMP C[C@@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662580 496491761 /nfs/dbraw/zinc/49/17/61/496491761.db2.gz DCFQTWXKEBKXHX-MSOLQXFVSA-N 2 1 373.541 3.010 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000580841515 505850515 /nfs/dbraw/zinc/85/05/15/505850515.db2.gz RQJFPYIEQUROEB-SYNHAJSKSA-N 2 1 357.523 3.155 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000153799787 496584437 /nfs/dbraw/zinc/58/44/37/496584437.db2.gz LXZFTTBUFYCKRC-UHFFFAOYSA-N 2 1 371.928 3.001 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000578071319 505855105 /nfs/dbraw/zinc/85/51/05/505855105.db2.gz POANMHIZXAVGKY-FQEVSTJZSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@H]1CCCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000187948351 496627935 /nfs/dbraw/zinc/62/79/35/496627935.db2.gz OXDIODKPQLVXSS-KRWDZBQOSA-N 2 1 361.555 3.296 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000164727833 496629515 /nfs/dbraw/zinc/62/95/15/496629515.db2.gz UCZKOIAVMFNMAG-VNQPRFMTSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000164727833 496629518 /nfs/dbraw/zinc/62/95/18/496629518.db2.gz UCZKOIAVMFNMAG-VNQPRFMTSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158110257 496629636 /nfs/dbraw/zinc/62/96/36/496629636.db2.gz SUCZGGPPRIMPOF-KGLIPLIRSA-N 2 1 357.420 3.354 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000187966337 496635127 /nfs/dbraw/zinc/63/51/27/496635127.db2.gz QCLHMQXQHMBSFN-RDJZCZTQSA-N 2 1 371.504 3.478 20 0 FGADMP Cc1ccc(C)c(OCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000153981229 496643831 /nfs/dbraw/zinc/64/38/31/496643831.db2.gz RXBNHYVMQZBEKA-NHCUHLMSSA-N 2 1 359.558 3.173 20 0 FGADMP CCc1cccc(OCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000154021322 496657928 /nfs/dbraw/zinc/65/79/28/496657928.db2.gz KLOHXVFVMBHYIE-PMACEKPBSA-N 2 1 359.558 3.118 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1CCOCC1 ZINC000188068682 496669919 /nfs/dbraw/zinc/66/99/19/496669919.db2.gz CTUISHJSUMTJOW-JOCHJYFZSA-N 2 1 372.509 3.443 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)C1 ZINC000154086740 496679470 /nfs/dbraw/zinc/67/94/70/496679470.db2.gz UERDWLJKERFMCJ-ZWKOTPCHSA-N 2 1 361.534 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000154086740 496679477 /nfs/dbraw/zinc/67/94/77/496679477.db2.gz UERDWLJKERFMCJ-ZWKOTPCHSA-N 2 1 361.534 3.057 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000580881568 505859394 /nfs/dbraw/zinc/85/93/94/505859394.db2.gz UOWAFCLVXSHPFD-QGZVFWFLSA-N 2 1 374.504 3.390 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000158380586 496689946 /nfs/dbraw/zinc/68/99/46/496689946.db2.gz HTDXBVAICWYVMR-ZIAGYGMSSA-N 2 1 353.894 3.058 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139944 496700828 /nfs/dbraw/zinc/70/08/28/496700828.db2.gz PWIINVZTKPXCMX-LJQANCHMSA-N 2 1 371.529 3.356 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095469 496707077 /nfs/dbraw/zinc/70/70/77/496707077.db2.gz YFLDPEVMVCKBGB-TWOQFEAHSA-N 2 1 352.482 3.467 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000580887798 505861464 /nfs/dbraw/zinc/86/14/64/505861464.db2.gz PKFCTFQYHQWJOI-OAQYLSRUSA-N 2 1 356.510 3.365 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226849 496713565 /nfs/dbraw/zinc/71/35/65/496713565.db2.gz JTCCLLIKXOMJLO-OXJNMPFZSA-N 2 1 368.477 3.223 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182263285 496722906 /nfs/dbraw/zinc/72/29/06/496722906.db2.gz DITZSQBXVNUZME-ZWKOTPCHSA-N 2 1 357.523 3.185 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246975972 496740386 /nfs/dbraw/zinc/74/03/86/496740386.db2.gz VQLCFCBNPFTUAB-ZLGUVYLKSA-N 2 1 371.525 3.361 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000247021457 496754445 /nfs/dbraw/zinc/75/44/45/496754445.db2.gz PEFWJYHAMGTHRM-WFASDCNBSA-N 2 1 371.319 3.286 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000247021457 496754449 /nfs/dbraw/zinc/75/44/49/496754449.db2.gz PEFWJYHAMGTHRM-WFASDCNBSA-N 2 1 371.319 3.286 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247060727 496766721 /nfs/dbraw/zinc/76/67/21/496766721.db2.gz ZSLRZLUKUXEOEW-VDZJLULYSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247060727 496766727 /nfs/dbraw/zinc/76/67/27/496766727.db2.gz ZSLRZLUKUXEOEW-VDZJLULYSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247060727 496766733 /nfs/dbraw/zinc/76/67/33/496766733.db2.gz ZSLRZLUKUXEOEW-VDZJLULYSA-N 2 1 364.917 3.028 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000191471033 496773219 /nfs/dbraw/zinc/77/32/19/496773219.db2.gz PCOVPZXPEHDMOW-UHFFFAOYSA-N 2 1 362.905 3.127 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1cccc(Cl)c1 ZINC000191471033 496773225 /nfs/dbraw/zinc/77/32/25/496773225.db2.gz PCOVPZXPEHDMOW-UHFFFAOYSA-N 2 1 362.905 3.127 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268795539 496788090 /nfs/dbraw/zinc/78/80/90/496788090.db2.gz HZNBJROCNLPNNV-DYESRHJHSA-N 2 1 351.494 3.046 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268795539 496788092 /nfs/dbraw/zinc/78/80/92/496788092.db2.gz HZNBJROCNLPNNV-DYESRHJHSA-N 2 1 351.494 3.046 20 0 FGADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000247156428 496794177 /nfs/dbraw/zinc/79/41/77/496794177.db2.gz TXLJITIGHPMTRA-OEWRPIJISA-N 2 1 373.541 3.262 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273405748 496797077 /nfs/dbraw/zinc/79/70/77/496797077.db2.gz HPHRKVBOYJAQKQ-DBXWQHBBSA-N 2 1 372.557 3.021 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)[C@@H](C)C1 ZINC000247183468 496800921 /nfs/dbraw/zinc/80/09/21/496800921.db2.gz VITAXXJTAYUQAW-VDGAXYAQSA-N 2 1 365.949 3.033 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843042 496801891 /nfs/dbraw/zinc/80/18/91/496801891.db2.gz BAKBMVVAZYJMID-NQSCKRDGSA-N 2 1 354.494 3.371 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000268843042 496801896 /nfs/dbraw/zinc/80/18/96/496801896.db2.gz BAKBMVVAZYJMID-NQSCKRDGSA-N 2 1 354.494 3.371 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nnn(-c2ccc(C)cc2)c1C ZINC000268864062 496808016 /nfs/dbraw/zinc/80/80/16/496808016.db2.gz KBMQGPUXMLGCLB-JKSUJKDBSA-N 2 1 352.486 3.376 20 0 FGADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268865115 496808061 /nfs/dbraw/zinc/80/80/61/496808061.db2.gz ZWROQQQBAYMGAJ-VGSWGCGISA-N 2 1 363.505 3.097 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000247223632 496809391 /nfs/dbraw/zinc/80/93/91/496809391.db2.gz CWUDZLXQHOTIFY-NVXWUHKLSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000247223632 496809396 /nfs/dbraw/zinc/80/93/96/496809396.db2.gz CWUDZLXQHOTIFY-NVXWUHKLSA-N 2 1 374.447 3.109 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247230995 496810800 /nfs/dbraw/zinc/81/08/00/496810800.db2.gz YHPDMRRWOTWZOX-BRWVUGGUSA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)CC1 ZINC000191562056 496813246 /nfs/dbraw/zinc/81/32/46/496813246.db2.gz SXYDZVJUWZQJNI-LJQANCHMSA-N 2 1 370.541 3.423 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000191567144 496816165 /nfs/dbraw/zinc/81/61/65/496816165.db2.gz NLBIUYBWOYVDBP-HXUWFJFHSA-N 2 1 374.573 3.142 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000188586203 496842228 /nfs/dbraw/zinc/84/22/28/496842228.db2.gz BGNMIXSGHBVTGH-IBGZPJMESA-N 2 1 374.573 3.402 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000277655045 496842749 /nfs/dbraw/zinc/84/27/49/496842749.db2.gz ZIOOLZIVPUZFSH-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247444901 496859356 /nfs/dbraw/zinc/85/93/56/496859356.db2.gz YGJNTMLRFJEZOM-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP O[C@H](CO[C@@H]1CCCc2ccccc21)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247641892 496898034 /nfs/dbraw/zinc/89/80/34/496898034.db2.gz SZYQTYWJBZBJHU-IEIRFRATSA-N 2 1 372.553 3.249 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247685679 496905412 /nfs/dbraw/zinc/90/54/12/496905412.db2.gz UXIOPJMGQJDCCY-LEWJYISDSA-N 2 1 355.526 3.163 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000247922241 496928178 /nfs/dbraw/zinc/92/81/78/496928178.db2.gz CBYOAABKXHSJBT-ACRUOGEOSA-N 2 1 370.541 3.092 20 0 FGADMP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1Br ZINC000247945350 496930316 /nfs/dbraw/zinc/93/03/16/496930316.db2.gz HKZBJJVDXWLLEP-GDBMZVCRSA-N 2 1 353.304 3.374 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956315 496932287 /nfs/dbraw/zinc/93/22/87/496932287.db2.gz FQKISABHCIMPIK-HIFRSBDPSA-N 2 1 360.420 3.315 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947816 505875469 /nfs/dbraw/zinc/87/54/69/505875469.db2.gz PDMXMJWAFAIMAU-JQHSSLGASA-N 2 1 374.447 3.075 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947816 505875470 /nfs/dbraw/zinc/87/54/70/505875470.db2.gz PDMXMJWAFAIMAU-JQHSSLGASA-N 2 1 374.447 3.075 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248139546 496961366 /nfs/dbraw/zinc/96/13/66/496961366.db2.gz PMWDNZYMXRGZGT-HOJAQTOUSA-N 2 1 373.541 3.069 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000580955220 505876589 /nfs/dbraw/zinc/87/65/89/505876589.db2.gz RJFVSNPPSFGEAA-GPMSIDNRSA-N 2 1 372.538 3.015 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000580955220 505876593 /nfs/dbraw/zinc/87/65/93/505876593.db2.gz RJFVSNPPSFGEAA-GPMSIDNRSA-N 2 1 372.538 3.015 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000269700094 496992220 /nfs/dbraw/zinc/99/22/20/496992220.db2.gz YHOHEJOSAKCDIL-UHFFFAOYSA-N 2 1 365.949 3.209 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248398650 496996255 /nfs/dbraw/zinc/99/62/55/496996255.db2.gz JBKLOUHWICZRSH-DNVJHFABSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)CC1 ZINC000264881650 497003103 /nfs/dbraw/zinc/00/31/03/497003103.db2.gz RERZZNJZIMPVDT-QFIPXVFZSA-N 2 1 363.505 3.241 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000572058578 505879600 /nfs/dbraw/zinc/87/96/00/505879600.db2.gz PYFNXCQFCJUCEJ-CTNGQTDRSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000572058578 505879604 /nfs/dbraw/zinc/87/96/04/505879604.db2.gz PYFNXCQFCJUCEJ-CTNGQTDRSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000572058578 505879608 /nfs/dbraw/zinc/87/96/08/505879608.db2.gz PYFNXCQFCJUCEJ-CTNGQTDRSA-N 2 1 374.573 3.269 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212897 505879697 /nfs/dbraw/zinc/87/96/97/505879697.db2.gz YYCNXKNWXVEVAL-PKTZIBPZSA-N 2 1 352.522 3.134 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000248488540 497024838 /nfs/dbraw/zinc/02/48/38/497024838.db2.gz MKTILWYURQBUKH-MSOLQXFVSA-N 2 1 362.514 3.257 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000248488540 497024846 /nfs/dbraw/zinc/02/48/46/497024846.db2.gz MKTILWYURQBUKH-MSOLQXFVSA-N 2 1 362.514 3.257 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000248568016 497043470 /nfs/dbraw/zinc/04/34/70/497043470.db2.gz LJHPQGAYHIVTRX-DZKIICNBSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000248568016 497043472 /nfs/dbraw/zinc/04/34/72/497043472.db2.gz LJHPQGAYHIVTRX-DZKIICNBSA-N 2 1 364.559 3.330 20 0 FGADMP CCc1cccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)c1 ZINC000189253735 497059498 /nfs/dbraw/zinc/05/94/98/497059498.db2.gz ACQRBVUNVMAKGJ-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344087 497089248 /nfs/dbraw/zinc/08/92/48/497089248.db2.gz COJAKINEJSVCGE-RHSMWYFYSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344087 497089254 /nfs/dbraw/zinc/08/92/54/497089254.db2.gz COJAKINEJSVCGE-RHSMWYFYSA-N 2 1 353.304 3.244 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(Br)cc3)CC[C@H]21 ZINC000227344087 497089240 /nfs/dbraw/zinc/08/92/40/497089240.db2.gz COJAKINEJSVCGE-RHSMWYFYSA-N 2 1 353.304 3.244 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000278388441 497098500 /nfs/dbraw/zinc/09/85/00/497098500.db2.gz CSHKAYLAYWOSNE-MOPGFXCFSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000278388441 497098505 /nfs/dbraw/zinc/09/85/05/497098505.db2.gz CSHKAYLAYWOSNE-MOPGFXCFSA-N 2 1 361.530 3.111 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248758954 497099811 /nfs/dbraw/zinc/09/98/11/497099811.db2.gz QFKSRINBYPDYKK-SFTDATJTSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000248758954 497099819 /nfs/dbraw/zinc/09/98/19/497099819.db2.gz QFKSRINBYPDYKK-SFTDATJTSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000248758954 497099825 /nfs/dbraw/zinc/09/98/25/497099825.db2.gz QFKSRINBYPDYKK-SFTDATJTSA-N 2 1 369.553 3.279 20 0 FGADMP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2n1 ZINC000189427444 497115619 /nfs/dbraw/zinc/11/56/19/497115619.db2.gz HCTFVLMIOARDNP-QFIPXVFZSA-N 2 1 361.489 3.400 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000248871764 497121847 /nfs/dbraw/zinc/12/18/47/497121847.db2.gz QSIMKBUJHIOTBS-FXAWDEMLSA-N 2 1 372.557 3.069 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000236836956 497154995 /nfs/dbraw/zinc/15/49/95/497154995.db2.gz FACSKFWZNBGWGY-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000236836956 497154998 /nfs/dbraw/zinc/15/49/98/497154998.db2.gz FACSKFWZNBGWGY-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CCN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047707 497183840 /nfs/dbraw/zinc/18/38/40/497183840.db2.gz MJTSUHQGXQXPFH-UWJYYQICSA-N 2 1 351.494 3.443 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000249286503 497186733 /nfs/dbraw/zinc/18/67/33/497186733.db2.gz OMUZSQKTERXZIM-SJBKTWHCSA-N 2 1 359.558 3.253 20 0 FGADMP C[C@H](CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237505875 497248281 /nfs/dbraw/zinc/24/82/81/497248281.db2.gz QRTPNLOPWCHXCQ-NRSPTQNISA-N 2 1 357.542 3.135 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000278871403 497249711 /nfs/dbraw/zinc/24/97/11/497249711.db2.gz WZQXWRZQCVGUDI-LMYCIYFBSA-N 2 1 369.553 3.419 20 0 FGADMP CC[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Br)cc1 ZINC000192959815 497260852 /nfs/dbraw/zinc/26/08/52/497260852.db2.gz LZXJBCKFYMRYPJ-HQSKLWIPSA-N 2 1 367.331 3.262 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(-n4cc[nH+]c4C)c(F)c3)cc12 ZINC000237653491 497269671 /nfs/dbraw/zinc/26/96/71/497269671.db2.gz QFHMJJUEVMYMJP-UHFFFAOYSA-N 2 1 364.428 3.200 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000252441610 497298857 /nfs/dbraw/zinc/29/88/57/497298857.db2.gz NPXMDFNFIQYOPI-AZUAARDMSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000252656728 497315206 /nfs/dbraw/zinc/31/52/06/497315206.db2.gz NXEHSNNKFZLKHW-AZUAARDMSA-N 2 1 358.530 3.313 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000252656728 497315211 /nfs/dbraw/zinc/31/52/11/497315211.db2.gz NXEHSNNKFZLKHW-AZUAARDMSA-N 2 1 358.530 3.313 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cc1 ZINC000252656728 497315215 /nfs/dbraw/zinc/31/52/15/497315215.db2.gz NXEHSNNKFZLKHW-AZUAARDMSA-N 2 1 358.530 3.313 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296757 497325518 /nfs/dbraw/zinc/32/55/18/497325518.db2.gz TYMHBKQFMPPDFV-OALUTQOASA-N 2 1 361.530 3.050 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000193299902 497343822 /nfs/dbraw/zinc/34/38/22/497343822.db2.gz YYCCQQGNVITSKO-QAPCUYQASA-N 2 1 357.523 3.091 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000193299902 497343827 /nfs/dbraw/zinc/34/38/27/497343827.db2.gz YYCCQQGNVITSKO-QAPCUYQASA-N 2 1 357.523 3.091 20 0 FGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271476100 497358275 /nfs/dbraw/zinc/35/82/75/497358275.db2.gz IBGAVNRACAJMKI-DOPJRALCSA-N 2 1 352.906 3.377 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C\c3ccc(F)cc3)CC2)CC1 ZINC000255591196 497371250 /nfs/dbraw/zinc/37/12/50/497371250.db2.gz YEKFZFOFUMZOEY-ARJAWSKDSA-N 2 1 373.516 3.105 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000245399542 497385208 /nfs/dbraw/zinc/38/52/08/497385208.db2.gz ALSUTSUMDGYXDH-RTBURBONSA-N 2 1 374.573 3.400 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000193471921 497388760 /nfs/dbraw/zinc/38/87/60/497388760.db2.gz NQBBSEVERKMWQZ-UHFFFAOYSA-N 2 1 363.521 3.194 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000245432059 497402463 /nfs/dbraw/zinc/40/24/63/497402463.db2.gz NQYNUFIGCJFZPZ-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245432059 497402467 /nfs/dbraw/zinc/40/24/67/497402467.db2.gz NQYNUFIGCJFZPZ-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245432059 497402472 /nfs/dbraw/zinc/40/24/72/497402472.db2.gz NQYNUFIGCJFZPZ-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1)c1nccn1C ZINC000271696350 497421818 /nfs/dbraw/zinc/42/18/18/497421818.db2.gz LMJHCVYSHZJBPR-GOSISDBHSA-N 2 1 374.529 3.390 20 0 FGADMP CN(C(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)[C@@H]1CCCc2ccccc21 ZINC000266936381 497450312 /nfs/dbraw/zinc/45/03/12/497450312.db2.gz PUMCJHKRNKPIEO-IEBWSBKVSA-N 2 1 352.482 3.125 20 0 FGADMP CN(C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)[C@@H]1CCCc2ccccc21 ZINC000266936381 497450316 /nfs/dbraw/zinc/45/03/16/497450316.db2.gz PUMCJHKRNKPIEO-IEBWSBKVSA-N 2 1 352.482 3.125 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(C4([NH3+])CCCC4)no3)cc2)C[C@H](C)O1 ZINC000261849374 497461147 /nfs/dbraw/zinc/46/11/47/497461147.db2.gz SSBLYEUQNGGCJC-GASCZTMLSA-N 2 1 356.470 3.074 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC000261951873 497480903 /nfs/dbraw/zinc/48/09/03/497480903.db2.gz GATVQSHPQWITRP-JOCHJYFZSA-N 2 1 352.478 3.460 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OCc1ccccc1 ZINC000261951873 497480906 /nfs/dbraw/zinc/48/09/06/497480906.db2.gz GATVQSHPQWITRP-JOCHJYFZSA-N 2 1 352.478 3.460 20 0 FGADMP c1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261951834 497480988 /nfs/dbraw/zinc/48/09/88/497480988.db2.gz GADHHFFEUAMWAY-HSZRJFAPSA-N 2 1 373.504 3.179 20 0 FGADMP c1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261951834 497480993 /nfs/dbraw/zinc/48/09/93/497480993.db2.gz GADHHFFEUAMWAY-HSZRJFAPSA-N 2 1 373.504 3.179 20 0 FGADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000262019455 497494458 /nfs/dbraw/zinc/49/44/58/497494458.db2.gz XEOIPQFOPFODRI-AWEZNQCLSA-N 2 1 367.921 3.306 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC2CCOCC2)C3)cc1 ZINC000245677022 497498583 /nfs/dbraw/zinc/49/85/83/497498583.db2.gz IDURQBJBAYLDRS-WKCHPHFGSA-N 2 1 358.526 3.357 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703056 497507946 /nfs/dbraw/zinc/50/79/46/497507946.db2.gz NRIYFJHUSYFXOT-LIRRHRJNSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703056 497507947 /nfs/dbraw/zinc/50/79/47/497507947.db2.gz NRIYFJHUSYFXOT-LIRRHRJNSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703056 497507948 /nfs/dbraw/zinc/50/79/48/497507948.db2.gz NRIYFJHUSYFXOT-LIRRHRJNSA-N 2 1 367.896 3.072 20 0 FGADMP c1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000262120510 497511786 /nfs/dbraw/zinc/51/17/86/497511786.db2.gz XGMFDAKCJAGJFX-QFIPXVFZSA-N 2 1 359.477 3.120 20 0 FGADMP c1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000262120510 497511792 /nfs/dbraw/zinc/51/17/92/497511792.db2.gz XGMFDAKCJAGJFX-QFIPXVFZSA-N 2 1 359.477 3.120 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@H]2CCOC2)C3)cc1 ZINC000245717306 497514840 /nfs/dbraw/zinc/51/48/40/497514840.db2.gz OFAUYXBMWHFLRH-YSFYHYPLSA-N 2 1 358.526 3.215 20 0 FGADMP COc1ccccc1-c1ccc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000575060085 505912496 /nfs/dbraw/zinc/91/24/96/505912496.db2.gz WHIFIEQOTSTXFI-SFHVURJKSA-N 2 1 353.510 3.260 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000193983007 497538764 /nfs/dbraw/zinc/53/87/64/497538764.db2.gz GMZDLODJMRGRRC-SJLPKXTDSA-N 2 1 367.331 3.263 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245882365 497558807 /nfs/dbraw/zinc/55/88/07/497558807.db2.gz IIAPHRFXRSLOIY-LEWJYISDSA-N 2 1 372.557 3.195 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245883067 497559523 /nfs/dbraw/zinc/55/95/23/497559523.db2.gz LENYTBJVOQXQHQ-YPAWHYETSA-N 2 1 371.569 3.117 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000245897343 497562810 /nfs/dbraw/zinc/56/28/10/497562810.db2.gz NHFWUEMQXFIWAL-FNAHDJPLSA-N 2 1 371.569 3.158 20 0 FGADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000578324102 505914596 /nfs/dbraw/zinc/91/45/96/505914596.db2.gz QUKPKTWQKHWKRR-IHPCNDPISA-N 2 1 351.494 3.252 20 0 FGADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000578324102 505914601 /nfs/dbraw/zinc/91/46/01/505914601.db2.gz QUKPKTWQKHWKRR-IHPCNDPISA-N 2 1 351.494 3.252 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262519001 497568701 /nfs/dbraw/zinc/56/87/01/497568701.db2.gz VANCCOSGKCMRJN-NQIIRXRSSA-N 2 1 351.494 3.057 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267535735 497573962 /nfs/dbraw/zinc/57/39/62/497573962.db2.gz VNKNZYPAFIWCAM-YLJYHZDGSA-N 2 1 372.534 3.233 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267535735 497573965 /nfs/dbraw/zinc/57/39/65/497573965.db2.gz VNKNZYPAFIWCAM-YLJYHZDGSA-N 2 1 372.534 3.233 20 0 FGADMP C[C@H](CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000262641537 497590178 /nfs/dbraw/zinc/59/01/78/497590178.db2.gz KXIMRWICJQOTDE-GBPOLFSSSA-N 2 1 371.569 3.285 20 0 FGADMP C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262648979 497591376 /nfs/dbraw/zinc/59/13/76/497591376.db2.gz QCMQMPGLPBZSNB-DXIQSLLYSA-N 2 1 365.521 3.446 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000272309991 497593506 /nfs/dbraw/zinc/59/35/06/497593506.db2.gz OUABZDUXBKNRPA-UXHICEINSA-N 2 1 374.525 3.109 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194193108 497598053 /nfs/dbraw/zinc/59/80/53/497598053.db2.gz FXOLUGIETRMGQZ-GXRSIYKFSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194193108 497598057 /nfs/dbraw/zinc/59/80/57/497598057.db2.gz FXOLUGIETRMGQZ-GXRSIYKFSA-N 2 1 370.537 3.215 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000262687539 497600898 /nfs/dbraw/zinc/60/08/98/497600898.db2.gz YIQZFLSURXVQAY-IRLDBZIGSA-N 2 1 365.521 3.365 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000246071237 497611249 /nfs/dbraw/zinc/61/12/49/497611249.db2.gz ZZYNDSFGLMSRKI-NHCUHLMSSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246071237 497611252 /nfs/dbraw/zinc/61/12/52/497611252.db2.gz ZZYNDSFGLMSRKI-NHCUHLMSSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000246071237 497611258 /nfs/dbraw/zinc/61/12/58/497611258.db2.gz ZZYNDSFGLMSRKI-NHCUHLMSSA-N 2 1 372.557 3.153 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000262772155 497617336 /nfs/dbraw/zinc/61/73/36/497617336.db2.gz JAZXHRYVFHNZKK-NFBKMPQASA-N 2 1 365.521 3.231 20 0 FGADMP CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262959817 497666363 /nfs/dbraw/zinc/66/63/63/497666363.db2.gz KOVGWZHAKUJVAP-RXVVDRJESA-N 2 1 357.542 3.450 20 0 FGADMP C[C@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000246228397 497668704 /nfs/dbraw/zinc/66/87/04/497668704.db2.gz HMRUGEXOFPAZBH-VKJFTORMSA-N 2 1 351.922 3.085 20 0 FGADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000246260248 497676574 /nfs/dbraw/zinc/67/65/74/497676574.db2.gz QQHBCNZIAYNRCL-XAPVIXHLSA-N 2 1 359.558 3.301 20 0 FGADMP C[C@H](CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000246281431 497682857 /nfs/dbraw/zinc/68/28/57/497682857.db2.gz MORPGMHUCYPVBE-KNQAVFIVSA-N 2 1 371.569 3.383 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000246342937 497702601 /nfs/dbraw/zinc/70/26/01/497702601.db2.gz JDZSQBOWEJILFI-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246342937 497702605 /nfs/dbraw/zinc/70/26/05/497702605.db2.gz JDZSQBOWEJILFI-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246342937 497702609 /nfs/dbraw/zinc/70/26/09/497702609.db2.gz JDZSQBOWEJILFI-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246644 505924481 /nfs/dbraw/zinc/92/44/81/505924481.db2.gz JEDJWUJWCRRLTM-QGZVFWFLSA-N 2 1 372.538 3.234 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246644 505924485 /nfs/dbraw/zinc/92/44/85/505924485.db2.gz JEDJWUJWCRRLTM-QGZVFWFLSA-N 2 1 372.538 3.234 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246644 505924487 /nfs/dbraw/zinc/92/44/87/505924487.db2.gz JEDJWUJWCRRLTM-QGZVFWFLSA-N 2 1 372.538 3.234 20 0 FGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272724521 497713182 /nfs/dbraw/zinc/71/31/82/497713182.db2.gz FYFJLKKTGXWGRQ-HOCLYGCPSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272724521 497713185 /nfs/dbraw/zinc/71/31/85/497713185.db2.gz FYFJLKKTGXWGRQ-HOCLYGCPSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272724530 497713584 /nfs/dbraw/zinc/71/35/84/497713584.db2.gz FYFJLKKTGXWGRQ-ZBFHGGJFSA-N 2 1 366.431 3.439 20 0 FGADMP C[C@@H]([NH2+]Cc1cn(C)nc1C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272724530 497713589 /nfs/dbraw/zinc/71/35/89/497713589.db2.gz FYFJLKKTGXWGRQ-ZBFHGGJFSA-N 2 1 366.431 3.439 20 0 FGADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000246425116 497729525 /nfs/dbraw/zinc/72/95/25/497729525.db2.gz SSFIZBKJWZFVAR-ROUUACIJSA-N 2 1 369.513 3.003 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000263229869 497737373 /nfs/dbraw/zinc/73/73/73/497737373.db2.gz NHUCOQAEPKTNLY-PMVMPFDFSA-N 2 1 369.553 3.409 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cnn1C(C)C ZINC000191192852 497738759 /nfs/dbraw/zinc/73/87/59/497738759.db2.gz HITQXIGNYLDGFV-SFHVURJKSA-N 2 1 369.557 3.371 20 0 FGADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246529537 497765489 /nfs/dbraw/zinc/76/54/89/497765489.db2.gz JIHWEJRNXFKYCO-CZAAIQMYSA-N 2 1 371.500 3.094 20 0 FGADMP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246642170 497793355 /nfs/dbraw/zinc/79/33/55/497793355.db2.gz KWEAVQBQIPMYGR-CGXNFDGLSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000246729784 497805305 /nfs/dbraw/zinc/80/53/05/497805305.db2.gz MULAYHLHGBZNNJ-FUHIMQAGSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000246729784 497805306 /nfs/dbraw/zinc/80/53/06/497805306.db2.gz MULAYHLHGBZNNJ-FUHIMQAGSA-N 2 1 374.529 3.026 20 0 FGADMP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000246838797 497815052 /nfs/dbraw/zinc/81/50/52/497815052.db2.gz LFTACOGCGRXCOS-RXVVDRJESA-N 2 1 357.542 3.408 20 0 FGADMP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1=O ZINC000246838778 497815287 /nfs/dbraw/zinc/81/52/87/497815287.db2.gz LFTACOGCGRXCOS-NQIIRXRSSA-N 2 1 357.542 3.408 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296394 497885611 /nfs/dbraw/zinc/88/56/11/497885611.db2.gz BWUBIUZTEQNGLV-IFMALSPDSA-N 2 1 361.493 3.358 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@H]4CCC[C@H]43)CC2)CC1 ZINC000569473876 505943709 /nfs/dbraw/zinc/94/37/09/505943709.db2.gz YQULFJAEAKHNON-VQTJNVASSA-N 2 1 361.574 3.220 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1C ZINC000280813137 497907936 /nfs/dbraw/zinc/90/79/36/497907936.db2.gz IHTHUBXBHBAHEC-VMXMFDLUSA-N 2 1 358.526 3.118 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000280898718 497942077 /nfs/dbraw/zinc/94/20/77/497942077.db2.gz FPVMROPVLIMKKI-KJJMTIBFSA-N 2 1 355.526 3.030 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(F)c(-c4cccs4)c3)C2)nn1 ZINC000578486600 505951779 /nfs/dbraw/zinc/95/17/79/505951779.db2.gz XSOFMGXDHOGOGP-INIZCTEOSA-N 2 1 371.485 3.442 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263407 497944350 /nfs/dbraw/zinc/94/43/50/497944350.db2.gz TVBGEZBBZRMUJU-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000569559364 505964721 /nfs/dbraw/zinc/96/47/21/505964721.db2.gz FUJNVBFEQCMQJH-HMXCVIKNSA-N 2 1 366.509 3.266 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000569559364 505964725 /nfs/dbraw/zinc/96/47/25/505964725.db2.gz FUJNVBFEQCMQJH-HMXCVIKNSA-N 2 1 366.509 3.266 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364598422 498043142 /nfs/dbraw/zinc/04/31/42/498043142.db2.gz BKEYSGXZXWUBBH-JKSUJKDBSA-N 2 1 374.916 3.126 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000285330039 498054833 /nfs/dbraw/zinc/05/48/33/498054833.db2.gz UFJIWCJRWWNBNI-ITAUSPCMSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(O)c(C)c3)CC2)CC1 ZINC000569621538 505977645 /nfs/dbraw/zinc/97/76/45/505977645.db2.gz PARDKELPPUOEBS-UHFFFAOYSA-N 2 1 359.514 3.144 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000569626100 505979205 /nfs/dbraw/zinc/97/92/05/505979205.db2.gz VWKBIYDEHFWHDA-KRWDZBQOSA-N 2 1 373.570 3.053 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)CC1 ZINC000296597310 498113805 /nfs/dbraw/zinc/11/38/05/498113805.db2.gz YEYJRVSVLLUNHV-NRFANRHFSA-N 2 1 357.542 3.015 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000578647714 505989571 /nfs/dbraw/zinc/98/95/71/505989571.db2.gz DLCOOACNZRNICR-MHORFTMASA-N 2 1 360.546 3.090 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517026 498178799 /nfs/dbraw/zinc/17/87/99/498178799.db2.gz HOBXHGJCUMRCGA-NHCUHLMSSA-N 2 1 355.457 3.028 20 0 FGADMP Cc1cc(N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)nc(C(C)C)n1 ZINC000301723156 498239228 /nfs/dbraw/zinc/23/92/28/498239228.db2.gz OBCLJPPGBZYGDR-RTBURBONSA-N 2 1 354.498 3.203 20 0 FGADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000364991894 498243137 /nfs/dbraw/zinc/24/31/37/498243137.db2.gz ALEGJWRBRCMXDE-UHFFFAOYSA-N 2 1 366.509 3.485 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)c2cc1OCC ZINC000301743710 498248216 /nfs/dbraw/zinc/24/82/16/498248216.db2.gz GDCXEKWZBQZGDU-XOBRGWDASA-N 2 1 359.470 3.163 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)c2cc1OCC ZINC000301743710 498248224 /nfs/dbraw/zinc/24/82/24/498248224.db2.gz GDCXEKWZBQZGDU-XOBRGWDASA-N 2 1 359.470 3.163 20 0 FGADMP c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCC2 ZINC000360642862 498293179 /nfs/dbraw/zinc/29/31/79/498293179.db2.gz RDEKHFLLLKBTHE-TUFLPTIASA-N 3 1 350.510 3.261 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281921305 498318559 /nfs/dbraw/zinc/31/85/59/498318559.db2.gz JLNNHXLMWUTSNQ-NRFANRHFSA-N 2 1 365.537 3.301 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC000360891073 498319757 /nfs/dbraw/zinc/31/97/57/498319757.db2.gz WSBHBEBPCUNVJF-CALCHBBNSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC000360891073 498319763 /nfs/dbraw/zinc/31/97/63/498319763.db2.gz WSBHBEBPCUNVJF-CALCHBBNSA-N 2 1 361.534 3.057 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@H](C)C1 ZINC000581577537 506018487 /nfs/dbraw/zinc/01/84/87/506018487.db2.gz ITWYCPSVNANLEJ-NQIIRXRSSA-N 2 1 360.542 3.453 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1O ZINC000289961988 498371870 /nfs/dbraw/zinc/37/18/70/498371870.db2.gz XBDHMLAWCHJNHI-IRXDYDNUSA-N 2 1 370.493 3.472 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cc4sccc4[nH]3)CC2)CC1 ZINC000365265554 498380161 /nfs/dbraw/zinc/38/01/61/498380161.db2.gz KQGBVSQWMCNCRT-UHFFFAOYSA-N 2 1 374.554 3.156 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000569821301 506024404 /nfs/dbraw/zinc/02/44/04/506024404.db2.gz NJDDDRXRXKMLDS-IBGZPJMESA-N 2 1 358.530 3.002 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878937 506024756 /nfs/dbraw/zinc/02/47/56/506024756.db2.gz DOZHGSPQWDYJGN-VQIMIIECSA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878937 506024758 /nfs/dbraw/zinc/02/47/58/506024758.db2.gz DOZHGSPQWDYJGN-VQIMIIECSA-N 2 1 365.949 3.427 20 0 FGADMP O=C(c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1)N1CCCCC1 ZINC000361479802 498397832 /nfs/dbraw/zinc/39/78/32/498397832.db2.gz XHJMVQNOEGYQIF-FSSWDIPSSA-N 2 1 367.537 3.229 20 0 FGADMP Cc1[nH+]c2ccccc2c(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000302104451 498406339 /nfs/dbraw/zinc/40/63/39/498406339.db2.gz WRNJQFLZEZXCDU-LJQANCHMSA-N 2 1 352.526 3.458 20 0 FGADMP C(CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361748323 498424455 /nfs/dbraw/zinc/42/44/55/498424455.db2.gz BIIPOELOALPYDF-MYGLTJDJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748323 498424461 /nfs/dbraw/zinc/42/44/61/498424461.db2.gz BIIPOELOALPYDF-MYGLTJDJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CCC[N@H+]1CC[C@H]([C@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748323 498424469 /nfs/dbraw/zinc/42/44/69/498424469.db2.gz BIIPOELOALPYDF-MYGLTJDJSA-N 2 1 364.574 3.264 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C2 ZINC000290097447 498427348 /nfs/dbraw/zinc/42/73/48/498427348.db2.gz HSZIRYAOPIZPQD-FPOVZHCZSA-N 2 1 366.509 3.016 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1OC ZINC000575923529 506033773 /nfs/dbraw/zinc/03/37/73/506033773.db2.gz UNNROEHVODLTNT-UBHSHLNASA-N 2 1 369.303 3.026 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Br)c1OC ZINC000575923529 506033775 /nfs/dbraw/zinc/03/37/75/506033775.db2.gz UNNROEHVODLTNT-UBHSHLNASA-N 2 1 369.303 3.026 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(Cl)s3)CC2)CC1 ZINC000569863687 506033937 /nfs/dbraw/zinc/03/39/37/506033937.db2.gz HPKNQFMXZSSGDO-UHFFFAOYSA-N 2 1 369.962 3.214 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000365391427 498440856 /nfs/dbraw/zinc/44/08/56/498440856.db2.gz FKWFSGLQKLAWIA-MSOLQXFVSA-N 2 1 358.530 3.046 20 0 FGADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc(Br)c1O ZINC000297447830 498452129 /nfs/dbraw/zinc/45/21/29/498452129.db2.gz OWOQRMYWIVDDNR-IUODEOHRSA-N 2 1 371.319 3.325 20 0 FGADMP COc1cc(OC)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000282300193 498458177 /nfs/dbraw/zinc/45/81/77/498458177.db2.gz MGZZJBRZGPKFDL-CQSZACIVSA-N 2 1 369.937 3.034 20 0 FGADMP COc1cc(OC)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000282300191 498458386 /nfs/dbraw/zinc/45/83/86/498458386.db2.gz MGZZJBRZGPKFDL-AWEZNQCLSA-N 2 1 369.937 3.034 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000362163825 498471766 /nfs/dbraw/zinc/47/17/66/498471766.db2.gz UPYJSSHUEFCODL-GOSISDBHSA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000362163825 498471768 /nfs/dbraw/zinc/47/17/68/498471768.db2.gz UPYJSSHUEFCODL-GOSISDBHSA-N 2 1 361.534 3.020 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362689204 498538412 /nfs/dbraw/zinc/53/84/12/498538412.db2.gz OZULYIOHBXIMBF-SFFUCWETSA-N 2 1 352.544 3.039 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362689204 498538418 /nfs/dbraw/zinc/53/84/18/498538418.db2.gz OZULYIOHBXIMBF-SFFUCWETSA-N 2 1 352.544 3.039 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000581715380 506052045 /nfs/dbraw/zinc/05/20/45/506052045.db2.gz YDXOWFBUWRZGOV-HKUYNNGSSA-N 2 1 372.557 3.330 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999716 506052599 /nfs/dbraw/zinc/05/25/99/506052599.db2.gz LJJSBEGXNNFBJU-SFDCACGMSA-N 2 1 372.321 3.324 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999716 506052604 /nfs/dbraw/zinc/05/26/04/506052604.db2.gz LJJSBEGXNNFBJU-SFDCACGMSA-N 2 1 372.321 3.324 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000286976566 498576972 /nfs/dbraw/zinc/57/69/72/498576972.db2.gz FMVBAZGGIMCLLW-WCRBZPEASA-N 2 1 372.557 3.295 20 0 FGADMP COC(=O)c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)o1 ZINC000578955322 506059892 /nfs/dbraw/zinc/05/98/92/506059892.db2.gz HOKABIGCGZTBTB-UHFFFAOYSA-N 2 1 357.454 3.287 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000569980840 506061055 /nfs/dbraw/zinc/06/10/55/506061055.db2.gz UVLSNDGEVIJROR-IBGZPJMESA-N 2 1 374.573 3.113 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972829 498626569 /nfs/dbraw/zinc/62/65/69/498626569.db2.gz XLIIHCPDGHSCBC-IEBWSBKVSA-N 2 1 369.513 3.130 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[N@@H+](C)C1CC1 ZINC000303536089 498689211 /nfs/dbraw/zinc/68/92/11/498689211.db2.gz SGCXJAXKWRCZSQ-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000294469394 498701353 /nfs/dbraw/zinc/70/13/53/498701353.db2.gz GSODKTDMOAOPID-HOCLYGCPSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000294469394 498701356 /nfs/dbraw/zinc/70/13/56/498701356.db2.gz GSODKTDMOAOPID-HOCLYGCPSA-N 2 1 370.335 3.071 20 0 FGADMP CC[C@@H]1CCC[C@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365950223 498707976 /nfs/dbraw/zinc/70/79/76/498707976.db2.gz XLHHFFMRNRRLMJ-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP O=C(OCc1ccccc1)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000303987677 498734078 /nfs/dbraw/zinc/73/40/78/498734078.db2.gz LYOSIEWEFOKDMI-VQTJNVASSA-N 2 1 357.498 3.004 20 0 FGADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737011 498763171 /nfs/dbraw/zinc/76/31/71/498763171.db2.gz XEDVMHRWKDIIEY-FGZHOGPDSA-N 2 1 368.521 3.100 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000363372095 498784616 /nfs/dbraw/zinc/78/46/16/498784616.db2.gz SKPDSGAJDNFIAD-SEJPIABJSA-N 2 1 372.557 3.153 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363373023 498785973 /nfs/dbraw/zinc/78/59/73/498785973.db2.gz AVUHHLGMTBOTGS-SFTDATJTSA-N 2 1 370.541 3.463 20 0 FGADMP C[C@H]1[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000332820516 498803801 /nfs/dbraw/zinc/80/38/01/498803801.db2.gz KLUIQNPSFQZZPV-QFBILLFUSA-N 2 1 372.557 3.258 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000332827797 498806981 /nfs/dbraw/zinc/80/69/81/498806981.db2.gz ZBMZONWECAFUEN-ROUUACIJSA-N 2 1 358.530 3.094 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332827797 498806991 /nfs/dbraw/zinc/80/69/91/498806991.db2.gz ZBMZONWECAFUEN-ROUUACIJSA-N 2 1 358.530 3.094 20 0 FGADMP CCCN(C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000572970105 506093212 /nfs/dbraw/zinc/09/32/12/506093212.db2.gz NZDFLKAUCBDCEY-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000298555195 498811977 /nfs/dbraw/zinc/81/19/77/498811977.db2.gz VFHYOWAPRJFDLR-UHFFFAOYSA-N 3 1 365.456 3.473 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000298567630 498815898 /nfs/dbraw/zinc/81/58/98/498815898.db2.gz WRGSXODZFPFHEY-OAHLLOKOSA-N 2 1 374.554 3.172 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCOC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000294843682 498824034 /nfs/dbraw/zinc/82/40/34/498824034.db2.gz UHPVNRXGIBSPNQ-UEXGIBASSA-N 2 1 358.526 3.487 20 0 FGADMP COC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287664651 498829705 /nfs/dbraw/zinc/82/97/05/498829705.db2.gz LWHQXRZNCFAGJP-ZWKOTPCHSA-N 2 1 371.928 3.028 20 0 FGADMP COC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287664638 498830284 /nfs/dbraw/zinc/83/02/84/498830284.db2.gz LWHQXRZNCFAGJP-MSOLQXFVSA-N 2 1 371.928 3.028 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000366229290 498833052 /nfs/dbraw/zinc/83/30/52/498833052.db2.gz ICGWLACPSABELZ-LJQANCHMSA-N 2 1 352.482 3.348 20 0 FGADMP COCCOC1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000294909382 498845978 /nfs/dbraw/zinc/84/59/78/498845978.db2.gz XZPFGGAUESMSCC-QGZVFWFLSA-N 2 1 373.497 3.044 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963264 506101116 /nfs/dbraw/zinc/10/11/16/506101116.db2.gz SWKCLSYDQYAOQP-HOJAQTOUSA-N 2 1 352.478 3.469 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000332985119 498858030 /nfs/dbraw/zinc/85/80/30/498858030.db2.gz DJWXMXYHSPARSH-ZWKOTPCHSA-N 2 1 361.534 3.118 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)n(C)c1C ZINC000291293177 498880476 /nfs/dbraw/zinc/88/04/76/498880476.db2.gz VYEUMQKYKRDEGF-UHFFFAOYSA-N 2 1 370.428 3.043 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000579163761 506106714 /nfs/dbraw/zinc/10/67/14/506106714.db2.gz SOKHUIGVDKAYML-XYPWUTKMSA-N 2 1 372.465 3.285 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)CC2)C1 ZINC000328646856 498888003 /nfs/dbraw/zinc/88/80/03/498888003.db2.gz SVDUXKWXQRMXJG-FEGHXTNJSA-N 2 1 373.545 3.213 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000295108673 498912726 /nfs/dbraw/zinc/91/27/26/498912726.db2.gz WZYJXYUNQSYXQM-OXQOHEQNSA-N 2 1 361.505 3.342 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[N@H+](C2CCOCC2)CC1 ZINC000366428329 498922219 /nfs/dbraw/zinc/92/22/19/498922219.db2.gz DPDMPSIUUJTSEQ-UHFFFAOYSA-N 2 1 359.445 3.074 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576253432 506114165 /nfs/dbraw/zinc/11/41/65/506114165.db2.gz GKBRBYHFSMPKNN-LVCYWYKZSA-N 2 1 372.557 3.248 20 0 FGADMP COC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113048 506121340 /nfs/dbraw/zinc/12/13/40/506121340.db2.gz QINITECXYKOWJB-NHCUHLMSSA-N 2 1 360.542 3.176 20 0 FGADMP C[C@H]1[C@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000288265416 498980572 /nfs/dbraw/zinc/98/05/72/498980572.db2.gz PLQNPYWETWNEED-PGRDOPGGSA-N 2 1 374.488 3.324 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288283780 498985052 /nfs/dbraw/zinc/98/50/52/498985052.db2.gz XDTUWOPPERVCFD-DBXWQHBBSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782141 498988993 /nfs/dbraw/zinc/98/89/93/498988993.db2.gz GWBJPOYDVNPCMV-QOKNQOGYSA-N 2 1 368.510 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782141 498989002 /nfs/dbraw/zinc/98/90/02/498989002.db2.gz GWBJPOYDVNPCMV-QOKNQOGYSA-N 2 1 368.510 3.067 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1F ZINC000333458152 499008957 /nfs/dbraw/zinc/00/89/57/499008957.db2.gz OZSLZPFRPHXZQG-HXUWFJFHSA-N 2 1 370.472 3.343 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1F ZINC000333458152 499008961 /nfs/dbraw/zinc/00/89/61/499008961.db2.gz OZSLZPFRPHXZQG-HXUWFJFHSA-N 2 1 370.472 3.343 20 0 FGADMP C[C@@]1(NC(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000582066431 506126237 /nfs/dbraw/zinc/12/62/37/506126237.db2.gz CJKDZHDFFHXMRE-JOCHJYFZSA-N 2 1 372.557 3.216 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(Cl)c(F)c1 ZINC000288466015 499033154 /nfs/dbraw/zinc/03/31/54/499033154.db2.gz FGHYPUSVBUGDIQ-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1nccc2cc(F)ccc21 ZINC000570276222 506130882 /nfs/dbraw/zinc/13/08/82/506130882.db2.gz RVLGUVBYNXSWJL-HXUWFJFHSA-N 2 1 365.452 3.365 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000364075043 499108544 /nfs/dbraw/zinc/10/85/44/499108544.db2.gz IROSTQJFUYQLIF-QSFXBCCZSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000364075043 499108549 /nfs/dbraw/zinc/10/85/49/499108549.db2.gz IROSTQJFUYQLIF-QSFXBCCZSA-N 2 1 367.497 3.168 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366913449 499114096 /nfs/dbraw/zinc/11/40/96/499114096.db2.gz OGLZBRQEILLACI-UHFFFAOYSA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366913449 499114100 /nfs/dbraw/zinc/11/41/00/499114100.db2.gz OGLZBRQEILLACI-UHFFFAOYSA-N 2 1 365.905 3.095 20 0 FGADMP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364175084 499127436 /nfs/dbraw/zinc/12/74/36/499127436.db2.gz HJHPORNUQIUHPO-IBGZPJMESA-N 2 1 373.541 3.104 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000367065921 499142529 /nfs/dbraw/zinc/14/25/29/499142529.db2.gz HKOUCANVAFCYOT-SOLBZPMBSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000367065919 499142816 /nfs/dbraw/zinc/14/28/16/499142816.db2.gz HKOUCANVAFCYOT-NUJGCVRESA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367171967 499157399 /nfs/dbraw/zinc/15/73/99/499157399.db2.gz UOWHQLPWYQBMBI-RTBURBONSA-N 2 1 368.525 3.362 20 0 FGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367171967 499157401 /nfs/dbraw/zinc/15/74/01/499157401.db2.gz UOWHQLPWYQBMBI-RTBURBONSA-N 2 1 368.525 3.362 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245512 499167740 /nfs/dbraw/zinc/16/77/40/499167740.db2.gz YBTQODBBEYMPRZ-LJQANCHMSA-N 2 1 365.512 3.245 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000573180495 506136931 /nfs/dbraw/zinc/13/69/31/506136931.db2.gz RJRCNCHJBVJUJC-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1CC(C)C ZINC000367751726 499230633 /nfs/dbraw/zinc/23/06/33/499230633.db2.gz GEFNXJKMGKHEHM-BRWVUGGUSA-N 2 1 365.591 3.051 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577675 499232944 /nfs/dbraw/zinc/23/29/44/499232944.db2.gz KZFMAIGHTJCCIF-WTIAFYNJSA-N 3 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577675 499232945 /nfs/dbraw/zinc/23/29/45/499232945.db2.gz KZFMAIGHTJCCIF-WTIAFYNJSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370644796 499239260 /nfs/dbraw/zinc/23/92/60/499239260.db2.gz GXQKICRABDFMPJ-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1OCC(F)F ZINC000367957653 499249574 /nfs/dbraw/zinc/24/95/74/499249574.db2.gz MTILLQPTLJBRQA-HUUCEWRRSA-N 2 1 370.440 3.064 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1OCC(F)F ZINC000367957653 499249576 /nfs/dbraw/zinc/24/95/76/499249576.db2.gz MTILLQPTLJBRQA-HUUCEWRRSA-N 2 1 370.440 3.064 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979696 499251578 /nfs/dbraw/zinc/25/15/78/499251578.db2.gz ZCQGRHVPGXYOMB-ZWKOTPCHSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979696 499251580 /nfs/dbraw/zinc/25/15/80/499251580.db2.gz ZCQGRHVPGXYOMB-ZWKOTPCHSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979696 499251582 /nfs/dbraw/zinc/25/15/82/499251582.db2.gz ZCQGRHVPGXYOMB-ZWKOTPCHSA-N 2 1 362.518 3.161 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@H](C)C1 ZINC000368041483 499258595 /nfs/dbraw/zinc/25/85/95/499258595.db2.gz KKLISWSCVITCPN-IXDOHACOSA-N 2 1 351.535 3.096 20 0 FGADMP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000368101819 499264114 /nfs/dbraw/zinc/26/41/14/499264114.db2.gz LQYAVKQBNLCZCD-HAGHYFMRSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000368101819 499264116 /nfs/dbraw/zinc/26/41/16/499264116.db2.gz LQYAVKQBNLCZCD-HAGHYFMRSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000368101819 499264117 /nfs/dbraw/zinc/26/41/17/499264117.db2.gz LQYAVKQBNLCZCD-HAGHYFMRSA-N 2 1 350.510 3.157 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nc3c(s2)C[NH+](C(C)C)CC3)C1 ZINC000368158136 499269937 /nfs/dbraw/zinc/26/99/37/499269937.db2.gz GPZFXKGSMBETEO-MRXNPFEDSA-N 2 1 350.576 3.073 20 0 FGADMP C[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccs1 ZINC000371092828 499287896 /nfs/dbraw/zinc/28/78/96/499287896.db2.gz HDCDTAQYOJGUEG-INIZCTEOSA-N 2 1 363.571 3.164 20 0 FGADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368454297 499297421 /nfs/dbraw/zinc/29/74/21/499297421.db2.gz KACRBMIGFLDFAL-UHFFFAOYSA-N 2 1 351.454 3.413 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000582130080 506140251 /nfs/dbraw/zinc/14/02/51/506140251.db2.gz PPTDQKWRETWOCO-ZWKOTPCHSA-N 2 1 350.869 3.180 20 0 FGADMP C[C@@H]1C[N@@H+](CCCSCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301235 499307373 /nfs/dbraw/zinc/30/73/73/499307373.db2.gz DOJPVODPKIBLOU-TZIWHRDSSA-N 2 1 361.599 3.268 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000368600377 499312511 /nfs/dbraw/zinc/31/25/11/499312511.db2.gz HFEQFVYJSZEJJM-GOSISDBHSA-N 2 1 372.557 3.482 20 0 FGADMP C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000371349388 499313740 /nfs/dbraw/zinc/31/37/40/499313740.db2.gz IASWBAJQXVJIRL-KXBFYZLASA-N 2 1 358.917 3.350 20 0 FGADMP Cn1ccnc1CN1CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000368649943 499317259 /nfs/dbraw/zinc/31/72/59/499317259.db2.gz LGGALGZLNDEIBK-UHFFFAOYSA-N 2 1 358.452 3.297 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199287 506142125 /nfs/dbraw/zinc/14/21/25/506142125.db2.gz SCQGGGNTUOKMSV-SQGPQFPESA-N 2 1 368.949 3.489 20 0 FGADMP C[N@H+](CCOc1ccc(F)cc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000371422036 499324745 /nfs/dbraw/zinc/32/47/45/499324745.db2.gz CVBJDCCHMWNAPB-UHFFFAOYSA-N 2 1 357.473 3.238 20 0 FGADMP C[N@@H+](CCOc1ccc(F)cc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000371422036 499324747 /nfs/dbraw/zinc/32/47/47/499324747.db2.gz CVBJDCCHMWNAPB-UHFFFAOYSA-N 2 1 357.473 3.238 20 0 FGADMP Cc1nccn1CCC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371450667 499328056 /nfs/dbraw/zinc/32/80/56/499328056.db2.gz NACMHILRKKJPHB-UHFFFAOYSA-N 2 1 362.518 3.305 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371450667 499328058 /nfs/dbraw/zinc/32/80/58/499328058.db2.gz NACMHILRKKJPHB-UHFFFAOYSA-N 2 1 362.518 3.305 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000371450667 499328059 /nfs/dbraw/zinc/32/80/59/499328059.db2.gz NACMHILRKKJPHB-UHFFFAOYSA-N 2 1 362.518 3.305 20 0 FGADMP OC[C@@H](C[C@H](O)c1ccccc1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000371451677 499328202 /nfs/dbraw/zinc/32/82/02/499328202.db2.gz SORKICLKGKKIHG-YADHBBJMSA-N 2 1 360.542 3.105 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470435 499331147 /nfs/dbraw/zinc/33/11/47/499331147.db2.gz LKRQXBQHSUVBSQ-QYZOEREBSA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470435 499331149 /nfs/dbraw/zinc/33/11/49/499331149.db2.gz LKRQXBQHSUVBSQ-QYZOEREBSA-N 2 1 374.916 3.414 20 0 FGADMP COc1cccc(-c2noc([C@H](C)[NH2+]CCCCn3cc[nH+]c3C)n2)c1 ZINC000371835105 499370210 /nfs/dbraw/zinc/37/02/10/499370210.db2.gz QEIPXFGJCVINFZ-AWEZNQCLSA-N 2 1 355.442 3.381 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000372056290 499394199 /nfs/dbraw/zinc/39/41/99/499394199.db2.gz LOHIHDYFOYYIEN-GOSISDBHSA-N 3 1 361.578 3.311 20 0 FGADMP CO[C@@H](CN1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccc(Cl)cc1 ZINC000570341840 506145829 /nfs/dbraw/zinc/14/58/29/506145829.db2.gz SEEXHYCCXLAZOO-BEFAXECRSA-N 2 1 352.906 3.213 20 0 FGADMP C[C@H]1C[N@@H+](CCCOc2cccc(Cl)c2)CCN1C1CC[NH+](C)CC1 ZINC000378369460 499508167 /nfs/dbraw/zinc/50/81/67/499508167.db2.gz KVZZSQLIYQPNHV-KRWDZBQOSA-N 2 1 365.949 3.209 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628194 499538954 /nfs/dbraw/zinc/53/89/54/499538954.db2.gz MZVMOVHVRGAHKY-JRGCBEDISA-N 2 1 358.526 3.033 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cnn(CC(C)C)c3)CC2)nc(C)[nH+]1 ZINC000378632487 499539451 /nfs/dbraw/zinc/53/94/51/499539451.db2.gz KKGSDMDQCPWYDQ-UHFFFAOYSA-N 2 1 356.518 3.047 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cnn(CC(C)C)c3)CC2)nc(C)[nH+]1 ZINC000378632487 499539452 /nfs/dbraw/zinc/53/94/52/499539452.db2.gz KKGSDMDQCPWYDQ-UHFFFAOYSA-N 2 1 356.518 3.047 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1 ZINC000375698762 499546861 /nfs/dbraw/zinc/54/68/61/499546861.db2.gz SOPMKKFPWBEELG-UHFFFAOYSA-N 2 1 366.509 3.044 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388342384 499550718 /nfs/dbraw/zinc/55/07/18/499550718.db2.gz NFXAGVKZRRGJBS-NRFANRHFSA-N 2 1 365.521 3.185 20 0 FGADMP Cn1ncc2c1ncnc2NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000388975283 499551902 /nfs/dbraw/zinc/55/19/02/499551902.db2.gz PLWFAOINSBFWFP-QGZVFWFLSA-N 2 1 350.470 3.078 20 0 FGADMP CN(C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000375779408 499555059 /nfs/dbraw/zinc/55/50/59/499555059.db2.gz LYCIKPAGAYLPDE-BEVDRBHNSA-N 2 1 361.436 3.018 20 0 FGADMP CN(C[C@@H](O)c1ccc(F)cc1F)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000375779408 499555061 /nfs/dbraw/zinc/55/50/61/499555061.db2.gz LYCIKPAGAYLPDE-BEVDRBHNSA-N 2 1 361.436 3.018 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000397960967 499565779 /nfs/dbraw/zinc/56/57/79/499565779.db2.gz DZJHZXCAJIWAQY-XKCSPQBFSA-N 2 1 368.521 3.235 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000410394675 499660046 /nfs/dbraw/zinc/66/00/46/499660046.db2.gz ZPHKMPXUDYLLPC-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000410394675 499660047 /nfs/dbraw/zinc/66/00/47/499660047.db2.gz ZPHKMPXUDYLLPC-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000410394675 499660048 /nfs/dbraw/zinc/66/00/48/499660048.db2.gz ZPHKMPXUDYLLPC-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1C[C@H](C)c2ccccc21 ZINC000377563678 499704775 /nfs/dbraw/zinc/70/47/75/499704775.db2.gz MBAAAKXXRCXACN-HRAATJIYSA-N 2 1 367.541 3.209 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377618193 499711023 /nfs/dbraw/zinc/71/10/23/499711023.db2.gz BRHOKMZDTDAEAF-PGRDOPGGSA-N 2 1 357.542 3.032 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000377618230 499711069 /nfs/dbraw/zinc/71/10/69/499711069.db2.gz BVJPLSBWCXCYNA-QGZVFWFLSA-N 2 1 371.447 3.045 20 0 FGADMP C[N@H+](Cc1cccn1Cc1cccs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630224 499713107 /nfs/dbraw/zinc/71/31/07/499713107.db2.gz QCMSELIZOYVTMB-LJQANCHMSA-N 2 1 372.582 3.198 20 0 FGADMP C[N@@H+](Cc1cccn1Cc1cccs1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630224 499713108 /nfs/dbraw/zinc/71/31/08/499713108.db2.gz QCMSELIZOYVTMB-LJQANCHMSA-N 2 1 372.582 3.198 20 0 FGADMP CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411227007 499713977 /nfs/dbraw/zinc/71/39/77/499713977.db2.gz UJQGSZWOXBPRHR-NRFANRHFSA-N 2 1 357.542 3.411 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000377670912 499717873 /nfs/dbraw/zinc/71/78/73/499717873.db2.gz OQYCXKBMXTYADS-ROUUACIJSA-N 2 1 350.869 3.409 20 0 FGADMP C[N@H+](CC(=O)NCc1cccs1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411270839 499719698 /nfs/dbraw/zinc/71/96/98/499719698.db2.gz YDVFCUCUARMROB-UHFFFAOYSA-N 2 1 371.550 3.482 20 0 FGADMP C[N@@H+](CC(=O)NCc1cccs1)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411270839 499719699 /nfs/dbraw/zinc/71/96/99/499719699.db2.gz YDVFCUCUARMROB-UHFFFAOYSA-N 2 1 371.550 3.482 20 0 FGADMP COC(=O)c1cc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cs1 ZINC000411313818 499725129 /nfs/dbraw/zinc/72/51/29/499725129.db2.gz YLOPDUSGBRFAQY-UHFFFAOYSA-N 2 1 373.522 3.069 20 0 FGADMP COC(=O)c1cc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)cs1 ZINC000411313818 499725130 /nfs/dbraw/zinc/72/51/30/499725130.db2.gz YLOPDUSGBRFAQY-UHFFFAOYSA-N 2 1 373.522 3.069 20 0 FGADMP CCN1CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1c1ncc[nH]1 ZINC000411660656 499774291 /nfs/dbraw/zinc/77/42/91/499774291.db2.gz SXDIQLRWDIPGLS-NRFANRHFSA-N 2 1 367.541 3.274 20 0 FGADMP CCN1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1c1ncc[nH]1 ZINC000411660656 499774294 /nfs/dbraw/zinc/77/42/94/499774294.db2.gz SXDIQLRWDIPGLS-NRFANRHFSA-N 2 1 367.541 3.274 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCO[C@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000414471861 499796355 /nfs/dbraw/zinc/79/63/55/499796355.db2.gz MRUVQRPNGKAYKW-QFIPXVFZSA-N 2 1 357.542 3.218 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCO[C@H](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000414471861 499796357 /nfs/dbraw/zinc/79/63/57/499796357.db2.gz MRUVQRPNGKAYKW-QFIPXVFZSA-N 2 1 357.542 3.218 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000414523893 499802877 /nfs/dbraw/zinc/80/28/77/499802877.db2.gz FTIVXEHAEOWNDO-DENIHFKCSA-N 2 1 370.493 3.028 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(OC)c(O)c1 ZINC000414523893 499802878 /nfs/dbraw/zinc/80/28/78/499802878.db2.gz FTIVXEHAEOWNDO-DENIHFKCSA-N 2 1 370.493 3.028 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670384 499819278 /nfs/dbraw/zinc/81/92/78/499819278.db2.gz DCVLUWXHQHMWBH-GUYCJALGSA-N 2 1 370.324 3.328 20 0 FGADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414729921 499823965 /nfs/dbraw/zinc/82/39/65/499823965.db2.gz GBTWGHAQMKRRMB-ZIAGYGMSSA-N 2 1 357.420 3.354 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)s1 ZINC000414736594 499824744 /nfs/dbraw/zinc/82/47/44/499824744.db2.gz MXZBCIXNAQOXRP-MRXNPFEDSA-N 2 1 350.919 3.005 20 0 FGADMP COc1c(Cl)cc(Cl)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414785151 499831092 /nfs/dbraw/zinc/83/10/92/499831092.db2.gz IWGPNGSXTUNXLW-WBVHZDCISA-N 2 1 359.297 3.330 20 0 FGADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414798705 499832470 /nfs/dbraw/zinc/83/24/70/499832470.db2.gz FNHRGCIZRNNFOW-UHFFFAOYSA-N 2 1 357.292 3.218 20 0 FGADMP CCOc1cc(C[NH2+]CC([NH3+])(CC)CC)cc(Br)c1OC ZINC000414798764 499832660 /nfs/dbraw/zinc/83/26/60/499832660.db2.gz FSKVIIQGRKYROD-UHFFFAOYSA-N 2 1 359.308 3.464 20 0 FGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838325 499836268 /nfs/dbraw/zinc/83/62/68/499836268.db2.gz KHWJWGPMPWGFBG-IUODEOHRSA-N 2 1 356.308 3.129 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999918 499853546 /nfs/dbraw/zinc/85/35/46/499853546.db2.gz KVIWGJBTGSCORA-GDBMZVCRSA-N 2 1 353.457 3.362 20 0 FGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415055314 499858821 /nfs/dbraw/zinc/85/88/21/499858821.db2.gz OHDZCKFRPKOKMB-VNCLNFNDSA-N 2 1 369.475 3.442 20 0 FGADMP c1cc(-c2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)s2)cs1 ZINC000415060038 499859796 /nfs/dbraw/zinc/85/97/96/499859796.db2.gz VXTOZPVGRDCYFC-UHFFFAOYSA-N 2 1 362.568 3.178 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1 ZINC000415078155 499861384 /nfs/dbraw/zinc/86/13/84/499861384.db2.gz FQXSGRVKCKLZMW-RTWAWAEBSA-N 2 1 353.510 3.210 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124001 499866847 /nfs/dbraw/zinc/86/68/47/499866847.db2.gz LXXUIDHGLNHPSK-FGZHOGPDSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124001 499866848 /nfs/dbraw/zinc/86/68/48/499866848.db2.gz LXXUIDHGLNHPSK-FGZHOGPDSA-N 2 1 373.585 3.363 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(Br)c3)CC2)C1 ZINC000415130616 499867828 /nfs/dbraw/zinc/86/78/28/499867828.db2.gz XKKZDLIGGYAQQZ-KGLIPLIRSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)ccc3F)CC2)C1 ZINC000415130750 499868133 /nfs/dbraw/zinc/86/81/33/499868133.db2.gz XNQZPODAXBSMMJ-RDJZCZTQSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+]CC1(O)CC[NH+](Cc2csc(-c3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000415141909 499869489 /nfs/dbraw/zinc/86/94/89/499869489.db2.gz OJOBNEHKQOUUQN-UHFFFAOYSA-N 2 1 371.428 3.115 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000415201388 499876504 /nfs/dbraw/zinc/87/65/04/499876504.db2.gz KOXQAMDGNSJJPC-QUCCMNQESA-N 2 1 355.526 3.126 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415966830 499934927 /nfs/dbraw/zinc/93/49/27/499934927.db2.gz AQGWTVCEFRLXHV-HXUWFJFHSA-N 2 1 366.509 3.392 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972292 499935697 /nfs/dbraw/zinc/93/56/97/499935697.db2.gz HZIFPYRLEGSAKP-OXJNMPFZSA-N 2 1 352.482 3.177 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415996150 499939034 /nfs/dbraw/zinc/93/90/34/499939034.db2.gz MLVNDFXLWUGKSW-NRFANRHFSA-N 2 1 364.493 3.418 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417027981 499951515 /nfs/dbraw/zinc/95/15/15/499951515.db2.gz BDUUVOICHYONLC-LJQANCHMSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+]1CCC(CNc2cc[nH+]c3cc(Cl)ccc23)(N2CCOCC2)CC1 ZINC000413479390 499968726 /nfs/dbraw/zinc/96/87/26/499968726.db2.gz KBLADQNRFSTBCC-UHFFFAOYSA-N 2 1 374.916 3.097 20 0 FGADMP COc1cccc([C@H](C)N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570456370 506171009 /nfs/dbraw/zinc/17/10/09/506171009.db2.gz UZTJHNQEPFHWRI-SFHVURJKSA-N 2 1 365.521 3.220 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421383840 500033685 /nfs/dbraw/zinc/03/36/85/500033685.db2.gz LYOATLOPRDSEDE-WBVHZDCISA-N 2 1 370.497 3.375 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CCc3ccccc3)CC2)oc1C ZINC000576511326 506175656 /nfs/dbraw/zinc/17/56/56/506175656.db2.gz IKIHRVNAWOBQRC-OAQYLSRUSA-N 2 1 371.525 3.087 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccccc1 ZINC000413899548 500090476 /nfs/dbraw/zinc/09/04/76/500090476.db2.gz JDEDLWLWKFLSAR-FQEVSTJZSA-N 2 1 373.472 3.398 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)c1ccccc1 ZINC000413899548 500090482 /nfs/dbraw/zinc/09/04/82/500090482.db2.gz JDEDLWLWKFLSAR-FQEVSTJZSA-N 2 1 373.472 3.398 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000429515570 500091706 /nfs/dbraw/zinc/09/17/06/500091706.db2.gz BSCVZLOQSCOCLF-UTKZUKDTSA-N 2 1 351.494 3.235 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541382 500097241 /nfs/dbraw/zinc/09/72/41/500097241.db2.gz OUKANZWKCDBLHP-CABCVRRESA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541382 500097245 /nfs/dbraw/zinc/09/72/45/500097245.db2.gz OUKANZWKCDBLHP-CABCVRRESA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585814 500108767 /nfs/dbraw/zinc/10/87/67/500108767.db2.gz UGWHXUFBPAPFMG-QFBILLFUSA-N 2 1 361.555 3.294 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1)C1CC1 ZINC000576515678 506176681 /nfs/dbraw/zinc/17/66/81/506176681.db2.gz PJKULIALECTNHT-HNNXBMFYSA-N 2 1 370.522 3.196 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000417587096 500118611 /nfs/dbraw/zinc/11/86/11/500118611.db2.gz NMXBFGLSMTYBPZ-IRXDYDNUSA-N 2 1 354.498 3.026 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416967098 500168735 /nfs/dbraw/zinc/16/87/35/500168735.db2.gz GTGNUIZOSHDRSR-WIYYLYMNSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416971851 500170535 /nfs/dbraw/zinc/17/05/35/500170535.db2.gz HRMOBLZAADZXSU-LQWHRVPQSA-N 2 1 372.557 3.472 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000416974576 500172010 /nfs/dbraw/zinc/17/20/10/500172010.db2.gz XGHISTSSGCGYDY-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416979469 500173818 /nfs/dbraw/zinc/17/38/18/500173818.db2.gz SOVGJENXGAIWQY-DZFGPLHGSA-N 2 1 370.541 3.097 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000417874009 500188810 /nfs/dbraw/zinc/18/88/10/500188810.db2.gz JYGCDBDQYTYWTF-PXNSSMCTSA-N 2 1 360.546 3.106 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000417878089 500189822 /nfs/dbraw/zinc/18/98/22/500189822.db2.gz OQJNGSVLMKGIHT-SFTDATJTSA-N 2 1 372.557 3.202 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940711 500201792 /nfs/dbraw/zinc/20/17/92/500201792.db2.gz LRTSNGFYKRPLDM-BJESRGMDSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940711 500201795 /nfs/dbraw/zinc/20/17/95/500201795.db2.gz LRTSNGFYKRPLDM-BJESRGMDSA-N 2 1 350.506 3.263 20 0 FGADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987415 500209785 /nfs/dbraw/zinc/20/97/85/500209785.db2.gz HSXTZTHAXPCDOG-JKSUJKDBSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417987415 500209786 /nfs/dbraw/zinc/20/97/86/500209786.db2.gz HSXTZTHAXPCDOG-JKSUJKDBSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418046183 500219856 /nfs/dbraw/zinc/21/98/56/500219856.db2.gz PYWGWQBNRDBZIS-FPOVZHCZSA-N 2 1 360.546 3.056 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccccc1C(=O)N(C)C ZINC000418060045 500223484 /nfs/dbraw/zinc/22/34/84/500223484.db2.gz BFTCKQKMFIEWED-UHFFFAOYSA-N 2 1 353.510 3.472 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418150635 500237629 /nfs/dbraw/zinc/23/76/29/500237629.db2.gz DCCGFGOVKNWBGL-UXHICEINSA-N 2 1 374.573 3.302 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418151215 500238079 /nfs/dbraw/zinc/23/80/79/500238079.db2.gz FGKWSCOZKGFSFR-PMACEKPBSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000418164490 500240192 /nfs/dbraw/zinc/24/01/92/500240192.db2.gz WYVVDSXGJOPBNS-YZGWKJHDSA-N 2 1 372.557 3.056 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418183366 500244511 /nfs/dbraw/zinc/24/45/11/500244511.db2.gz OKZYYFDFNOLPIR-SFHVURJKSA-N 2 1 366.937 3.103 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(Br)c1 ZINC000430587713 500259460 /nfs/dbraw/zinc/25/94/60/500259460.db2.gz ACASZGQXQKHLLI-OAHLLOKOSA-N 2 1 356.308 3.083 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000418323233 500262085 /nfs/dbraw/zinc/26/20/85/500262085.db2.gz FRSMLLWTXPHTFO-IBGZPJMESA-N 2 1 357.502 3.046 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430612724 500262283 /nfs/dbraw/zinc/26/22/83/500262283.db2.gz SJLKPGZOYYANAC-INIZCTEOSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3)[NH+]1CCC(C[NH3+])CC1 ZINC000430629734 500263350 /nfs/dbraw/zinc/26/33/50/500263350.db2.gz QTCHQFSISMGBJD-NWDGAFQWSA-N 2 1 360.527 3.253 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418379466 500270051 /nfs/dbraw/zinc/27/00/51/500270051.db2.gz KNCYDHCBICJOFN-WSTZPKSXSA-N 2 1 364.578 3.190 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430696587 500271409 /nfs/dbraw/zinc/27/14/09/500271409.db2.gz QHGHAKBERZEPDZ-GOSISDBHSA-N 2 1 370.541 3.375 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418402039 500272701 /nfs/dbraw/zinc/27/27/01/500272701.db2.gz ARDHSHKQEZRIKS-HOJAQTOUSA-N 2 1 364.578 3.190 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418421749 500274388 /nfs/dbraw/zinc/27/43/88/500274388.db2.gz CUUDNFGYPYFEDH-NQIIRXRSSA-N 2 1 372.557 3.373 20 0 FGADMP CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418431390 500276114 /nfs/dbraw/zinc/27/61/14/500276114.db2.gz WZGCWQIYWNABDM-IEBWSBKVSA-N 2 1 360.546 3.371 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422697154 500287047 /nfs/dbraw/zinc/28/70/47/500287047.db2.gz UAPVKYWCIKYTQK-RTBURBONSA-N 3 1 363.546 3.165 20 0 FGADMP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1([NH+]2CCSCC2)CCCCC1 ZINC000422711620 500288654 /nfs/dbraw/zinc/28/86/54/500288654.db2.gz MZVJFTQXRBFXDD-GBESFXJTSA-N 2 1 351.604 3.248 20 0 FGADMP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422723039 500289953 /nfs/dbraw/zinc/28/99/53/500289953.db2.gz ZLJFMPSKICXIML-CWRNSKLLSA-N 2 1 373.722 3.349 20 0 FGADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC(F)F ZINC000422805116 500300568 /nfs/dbraw/zinc/30/05/68/500300568.db2.gz GHBOXCKAIKGUIA-BBRMVZONSA-N 2 1 350.409 3.345 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422835850 500304226 /nfs/dbraw/zinc/30/42/26/500304226.db2.gz JGCRGHRNLVAUAC-IFMALSPDSA-N 3 1 355.526 3.239 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430923305 500307733 /nfs/dbraw/zinc/30/77/33/500307733.db2.gz CSOGQYRJMAAXLS-KRWDZBQOSA-N 2 1 353.466 3.349 20 0 FGADMP CCCN(C(=O)N[C@H](C)CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418694619 500309300 /nfs/dbraw/zinc/30/93/00/500309300.db2.gz WAOLXMUNMKOINO-UYAOXDASSA-N 2 1 360.546 3.200 20 0 FGADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430942349 500311151 /nfs/dbraw/zinc/31/11/51/500311151.db2.gz CHKQYOKKYDAOPN-UHFFFAOYSA-N 2 1 353.466 3.491 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422893387 500312053 /nfs/dbraw/zinc/31/20/53/500312053.db2.gz QHYGWXCJFHBOSG-GHTZIAJQSA-N 2 1 352.526 3.366 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+][C@H](C)c2c[nH+]ccc2N)CCOCC1 ZINC000422896281 500312638 /nfs/dbraw/zinc/31/26/38/500312638.db2.gz ICUNWEPDUHPGOU-MRXNPFEDSA-N 2 1 355.482 3.210 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422902736 500313750 /nfs/dbraw/zinc/31/37/50/500313750.db2.gz NHRIIYLSCYJNPS-YVWKXTFCSA-N 2 1 359.514 3.205 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC000422902735 500314091 /nfs/dbraw/zinc/31/40/91/500314091.db2.gz NHRIIYLSCYJNPS-POAQFYNOSA-N 2 1 359.514 3.205 20 0 FGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422937297 500319625 /nfs/dbraw/zinc/31/96/25/500319625.db2.gz JJNCKJWCHJSDDD-UTKZUKDTSA-N 2 1 353.510 3.265 20 0 FGADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc(OC2CCCCC2)n1 ZINC000422971153 500325363 /nfs/dbraw/zinc/32/53/63/500325363.db2.gz IACVTYHDAVOZQI-VAMGGRTRSA-N 2 1 359.514 3.040 20 0 FGADMP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423014391 500330936 /nfs/dbraw/zinc/33/09/36/500330936.db2.gz IIDCXKHMGRRVQY-SVFBPWRDSA-N 2 1 374.431 3.498 20 0 FGADMP C[C@@H](C[NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423302939 500362624 /nfs/dbraw/zinc/36/26/24/500362624.db2.gz ICKKKJUKKJKERH-SCLBCKFNSA-N 2 1 366.914 3.017 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201802 500366339 /nfs/dbraw/zinc/36/63/39/500366339.db2.gz BZTBYWQSEQLWGL-IAGOWNOFSA-N 2 1 369.431 3.051 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201801 500366424 /nfs/dbraw/zinc/36/64/24/500366424.db2.gz BZTBYWQSEQLWGL-DLBZAZTESA-N 2 1 369.431 3.051 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423421785 500373885 /nfs/dbraw/zinc/37/38/85/500373885.db2.gz BAUAEZGUJKIVAE-LHGONGGSSA-N 3 1 353.554 3.265 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000427316728 500380590 /nfs/dbraw/zinc/38/05/90/500380590.db2.gz SRESXCQOKBLZPT-XSLAUPDRSA-N 2 1 355.526 3.078 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805050 500403248 /nfs/dbraw/zinc/40/32/48/500403248.db2.gz CPOCXTWACUZKAE-HZPDHXFCSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805050 500403251 /nfs/dbraw/zinc/40/32/51/500403251.db2.gz CPOCXTWACUZKAE-HZPDHXFCSA-N 2 1 353.869 3.001 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000431652190 500403413 /nfs/dbraw/zinc/40/34/13/500403413.db2.gz ASJXQRMDKKTTNW-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000431652190 500403415 /nfs/dbraw/zinc/40/34/15/500403415.db2.gz ASJXQRMDKKTTNW-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000423821697 500406310 /nfs/dbraw/zinc/40/63/10/500406310.db2.gz HZWJMGMYQXJGLA-WPWQYIBHSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)cc1 ZINC000423821697 500406313 /nfs/dbraw/zinc/40/63/13/500406313.db2.gz HZWJMGMYQXJGLA-WPWQYIBHSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423828648 500407371 /nfs/dbraw/zinc/40/73/71/500407371.db2.gz OIXZVQVPMAUFCV-HBFSDRIKSA-N 2 1 357.885 3.292 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423828648 500407374 /nfs/dbraw/zinc/40/73/74/500407374.db2.gz OIXZVQVPMAUFCV-HBFSDRIKSA-N 2 1 357.885 3.292 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423862235 500413796 /nfs/dbraw/zinc/41/37/96/500413796.db2.gz FUDPBXUTJJCGJZ-KCLUMXDGSA-N 2 1 357.542 3.311 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896097 500416934 /nfs/dbraw/zinc/41/69/34/500416934.db2.gz GHHUUFUGLLYGIC-UXHICEINSA-N 2 1 357.542 3.265 20 0 FGADMP Cn1nc(CCC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1-c1ccc(F)cc1 ZINC000420295366 500435842 /nfs/dbraw/zinc/43/58/42/500435842.db2.gz ADEXPRDZKKOMAG-KRWDZBQOSA-N 2 1 358.505 3.480 20 0 FGADMP C[NH2+]CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000420299717 500436575 /nfs/dbraw/zinc/43/65/75/500436575.db2.gz UGTPGNFHLAPRBI-MRXNPFEDSA-N 2 1 356.297 3.030 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302549 500437585 /nfs/dbraw/zinc/43/75/85/500437585.db2.gz MOMSUPLVGUHOHZ-PKOBYXMFSA-N 2 1 354.450 3.303 20 0 FGADMP Ic1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312409 500438827 /nfs/dbraw/zinc/43/88/27/500438827.db2.gz WXWXNHIHEHGRAH-XJKSGUPXSA-N 2 1 370.278 3.428 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](COCc3ccccc3)C2)cc1 ZINC000420313167 500440038 /nfs/dbraw/zinc/44/00/38/500440038.db2.gz XPRMJHFRRVGGKQ-PZJWPPBQSA-N 2 1 354.494 3.276 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317819 500440966 /nfs/dbraw/zinc/44/09/66/500440966.db2.gz NGHGNKGDWREZMC-CTNGQTDRSA-N 2 1 353.510 3.338 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341960 500444614 /nfs/dbraw/zinc/44/46/14/500444614.db2.gz PBTASQNWBADLIC-MGPQQGTHSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341960 500444616 /nfs/dbraw/zinc/44/46/16/500444616.db2.gz PBTASQNWBADLIC-MGPQQGTHSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359099 500446772 /nfs/dbraw/zinc/44/67/72/500446772.db2.gz FVCSPBGEROKFLX-JBYIUTFZSA-N 2 1 365.521 3.258 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4cc(Cl)ccc43)CC2)CC1 ZINC000420630733 500480122 /nfs/dbraw/zinc/48/01/22/500480122.db2.gz TWLBATLOUIINOF-UHFFFAOYSA-N 2 1 373.932 3.280 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(c3ncnc4cc(Cl)ccc43)CC2)CC1 ZINC000420630733 500480124 /nfs/dbraw/zinc/48/01/24/500480124.db2.gz TWLBATLOUIINOF-UHFFFAOYSA-N 2 1 373.932 3.280 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297566 500483259 /nfs/dbraw/zinc/48/32/59/500483259.db2.gz SXUMLTSEGJHPIE-WBVHZDCISA-N 2 1 361.555 3.048 20 0 FGADMP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428231480 500484361 /nfs/dbraw/zinc/48/43/61/500484361.db2.gz WFYSKYQVDHSCOI-NJDAHSKKSA-N 2 1 357.542 3.183 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@@H]1CCn2ccnc2C1 ZINC000428359289 500500327 /nfs/dbraw/zinc/50/03/27/500500327.db2.gz AMHYNIFLHDUZSY-OAQYLSRUSA-N 2 1 374.488 3.017 20 0 FGADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000432359046 500504235 /nfs/dbraw/zinc/50/42/35/500504235.db2.gz RQAYXYFAICITNJ-HNNXBMFYSA-N 2 1 370.921 3.338 20 0 FGADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000432359046 500504237 /nfs/dbraw/zinc/50/42/37/500504237.db2.gz RQAYXYFAICITNJ-HNNXBMFYSA-N 2 1 370.921 3.338 20 0 FGADMP CC[C@@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)[N@H+]1CCc2ccccc2C1 ZINC000424434267 500504782 /nfs/dbraw/zinc/50/47/82/500504782.db2.gz GEHORBLLUGJSGR-NRFANRHFSA-N 2 1 366.509 3.412 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424439138 500505937 /nfs/dbraw/zinc/50/59/37/500505937.db2.gz REWNTOFNAUQFBB-JXFKEZNVSA-N 2 1 352.482 3.238 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413144 500513007 /nfs/dbraw/zinc/51/30/07/500513007.db2.gz KOAYSSUSAVPJPX-NRSPTQNISA-N 2 1 360.542 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413144 500513010 /nfs/dbraw/zinc/51/30/10/500513010.db2.gz KOAYSSUSAVPJPX-NRSPTQNISA-N 2 1 360.542 3.461 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425335 500514866 /nfs/dbraw/zinc/51/48/66/500514866.db2.gz MFGLZJRNZOHUKO-DNVCBOLYSA-N 2 1 361.486 3.321 20 0 FGADMP COc1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000420903264 500527009 /nfs/dbraw/zinc/52/70/09/500527009.db2.gz NXZCPVWBIGWEGW-UHFFFAOYSA-N 2 1 354.494 3.468 20 0 FGADMP COc1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)cc1C ZINC000420903264 500527012 /nfs/dbraw/zinc/52/70/12/500527012.db2.gz NXZCPVWBIGWEGW-UHFFFAOYSA-N 2 1 354.494 3.468 20 0 FGADMP c1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]2CCOC2)cc1 ZINC000420952531 500539855 /nfs/dbraw/zinc/53/98/55/500539855.db2.gz UKNMUWLSOCVVCT-XZOQPEGZSA-N 2 1 366.505 3.386 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@@H](C)OCc3ccccc3)CC2)CC1 ZINC000420975934 500545476 /nfs/dbraw/zinc/54/54/76/500545476.db2.gz GIYMJRGMBOHZJA-OAQYLSRUSA-N 2 1 373.585 3.474 20 0 FGADMP C[C@H]1CCCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424710554 500547362 /nfs/dbraw/zinc/54/73/62/500547362.db2.gz OWTCRAAIZOMUGH-GHTZIAJQSA-N 2 1 363.590 3.467 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000428802385 500559535 /nfs/dbraw/zinc/55/95/35/500559535.db2.gz JCOFYCWKMZZKNZ-UHFFFAOYSA-N 2 1 351.494 3.130 20 0 FGADMP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000573486025 506203077 /nfs/dbraw/zinc/20/30/77/506203077.db2.gz VRLNPLAEFDNKGR-HKHIRDCPSA-N 2 1 369.553 3.263 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000447315526 500590948 /nfs/dbraw/zinc/59/09/48/500590948.db2.gz RBWMXKAJLSAXED-UHFFFAOYSA-N 2 1 366.509 3.315 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000447315526 500590951 /nfs/dbraw/zinc/59/09/51/500590951.db2.gz RBWMXKAJLSAXED-UHFFFAOYSA-N 2 1 366.509 3.315 20 0 FGADMP COC(=O)c1cccc(Br)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000432928585 500592475 /nfs/dbraw/zinc/59/24/75/500592475.db2.gz SULVVZJYCOJZTJ-UHFFFAOYSA-N 2 1 369.303 3.009 20 0 FGADMP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043673 500595609 /nfs/dbraw/zinc/59/56/09/500595609.db2.gz VNCCNOQAKMGTMC-FGZHOGPDSA-N 2 1 371.569 3.477 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437076619 500599281 /nfs/dbraw/zinc/59/92/81/500599281.db2.gz VPYIKTINHZBOTH-CJRSTVEYSA-N 2 1 364.533 3.480 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447426285 500604282 /nfs/dbraw/zinc/60/42/82/500604282.db2.gz CACQYLVZOSLQGL-GASCZTMLSA-N 2 1 351.560 3.296 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447426285 500604286 /nfs/dbraw/zinc/60/42/86/500604286.db2.gz CACQYLVZOSLQGL-GASCZTMLSA-N 2 1 351.560 3.296 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000433046354 500612590 /nfs/dbraw/zinc/61/25/90/500612590.db2.gz PCAVMLFTONBNTO-FGZHOGPDSA-N 2 1 365.521 3.285 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000442749056 500619761 /nfs/dbraw/zinc/61/97/61/500619761.db2.gz NMQSUVKUNUZVGX-RTBURBONSA-N 2 1 370.497 3.334 20 0 FGADMP C[N@@H+]1CCN(CC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1(C)C ZINC000442871522 500637192 /nfs/dbraw/zinc/63/71/92/500637192.db2.gz HWRNSPVFZCNIAS-HXUWFJFHSA-N 2 1 374.479 3.065 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1(C)C ZINC000442871522 500637193 /nfs/dbraw/zinc/63/71/93/500637193.db2.gz HWRNSPVFZCNIAS-HXUWFJFHSA-N 2 1 374.479 3.065 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1(C)C ZINC000442890596 500642115 /nfs/dbraw/zinc/64/21/15/500642115.db2.gz PDMZESIJNNVQAO-QGZVFWFLSA-N 2 1 351.922 3.169 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000433575473 500715515 /nfs/dbraw/zinc/71/55/15/500715515.db2.gz NFRXCZCPZQUALR-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000433588794 500717332 /nfs/dbraw/zinc/71/73/32/500717332.db2.gz BDFOBNAOFZTNEI-BTIFBSDPSA-N 2 1 374.573 3.500 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000433588797 500717479 /nfs/dbraw/zinc/71/74/79/500717479.db2.gz BDFOBNAOFZTNEI-KJLVNVKXSA-N 2 1 374.573 3.500 20 0 FGADMP [NH3+][C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)C1CCOCC1 ZINC000433890554 500760793 /nfs/dbraw/zinc/76/07/93/500760793.db2.gz LZDLLHLJEUSELS-SFHVURJKSA-N 2 1 356.470 3.149 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000438970639 500842463 /nfs/dbraw/zinc/84/24/63/500842463.db2.gz FLLXLHGYRONVLF-ZWKOTPCHSA-N 2 1 366.575 3.161 20 0 FGADMP CC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000434440948 500843133 /nfs/dbraw/zinc/84/31/33/500843133.db2.gz FAGZYMMFHACGHX-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP CN(CC[N@@H+](C)CCc1cccc(Cl)c1Cl)C1CC[NH+](C)CC1 ZINC000434469684 500848006 /nfs/dbraw/zinc/84/80/06/500848006.db2.gz KFGGPONDNSIEFH-UHFFFAOYSA-N 2 1 358.357 3.494 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)CC(C)C ZINC000439200281 500869215 /nfs/dbraw/zinc/86/92/15/500869215.db2.gz PWIOQEPTHRFWCR-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000434678254 500878046 /nfs/dbraw/zinc/87/80/46/500878046.db2.gz DRWUAIREWOGNMH-UHFFFAOYSA-N 2 1 353.466 3.386 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)C[C@H]2C)CC1 ZINC000439327894 500885525 /nfs/dbraw/zinc/88/55/25/500885525.db2.gz LFHNWYOIRAPONQ-QUCCMNQESA-N 2 1 357.542 3.244 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4c(OC)cccc34)C2)CC1 ZINC000449022238 500899688 /nfs/dbraw/zinc/89/96/88/500899688.db2.gz HNJUAKAVKSUUTR-IBGZPJMESA-N 2 1 353.510 3.060 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3c(c2)OCCCCO3)C[C@H](C)O1 ZINC000449100152 500924834 /nfs/dbraw/zinc/92/48/34/500924834.db2.gz AWEZGGHHQXGYQZ-HDICACEKSA-N 2 1 362.514 3.217 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449114125 500927834 /nfs/dbraw/zinc/92/78/34/500927834.db2.gz YISWPNATDFVMMO-UHFFFAOYSA-N 2 1 359.283 3.179 20 0 FGADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132186 500931870 /nfs/dbraw/zinc/93/18/70/500931870.db2.gz SMQUQDOHIRVORJ-MJGOQNOKSA-N 2 1 366.571 3.438 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132186 500931871 /nfs/dbraw/zinc/93/18/71/500931871.db2.gz SMQUQDOHIRVORJ-MJGOQNOKSA-N 2 1 366.571 3.438 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132185 500932175 /nfs/dbraw/zinc/93/21/75/500932175.db2.gz SMQUQDOHIRVORJ-IEBWSBKVSA-N 2 1 366.571 3.438 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132185 500932178 /nfs/dbraw/zinc/93/21/78/500932178.db2.gz SMQUQDOHIRVORJ-IEBWSBKVSA-N 2 1 366.571 3.438 20 0 FGADMP CSCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449170693 500939848 /nfs/dbraw/zinc/93/98/48/500939848.db2.gz RNIRCNZMHBHEJN-KOQKOIQBSA-N 2 1 362.583 3.381 20 0 FGADMP CSCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000449170693 500939849 /nfs/dbraw/zinc/93/98/49/500939849.db2.gz RNIRCNZMHBHEJN-KOQKOIQBSA-N 2 1 362.583 3.381 20 0 FGADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207221 500948235 /nfs/dbraw/zinc/94/82/35/500948235.db2.gz PSCDWHLPHPUIKL-IEBWSBKVSA-N 2 1 366.571 3.294 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207221 500948237 /nfs/dbraw/zinc/94/82/37/500948237.db2.gz PSCDWHLPHPUIKL-IEBWSBKVSA-N 2 1 366.571 3.294 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439905072 500953475 /nfs/dbraw/zinc/95/34/75/500953475.db2.gz SLVXOIAWIYZJFC-OAQYLSRUSA-N 2 1 355.526 3.306 20 0 FGADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372157 500961676 /nfs/dbraw/zinc/96/16/76/500961676.db2.gz IWYRKUVXTWBVOU-VQIMIIECSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372157 500961679 /nfs/dbraw/zinc/96/16/79/500961679.db2.gz IWYRKUVXTWBVOU-VQIMIIECSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+](C)C2CC[NH2+]CC2)c1 ZINC000435376597 500962831 /nfs/dbraw/zinc/96/28/31/500962831.db2.gz RXIDOCVNGWWREN-UHFFFAOYSA-N 2 1 356.514 3.498 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+](C)C2CC[NH2+]CC2)c1 ZINC000435376597 500962833 /nfs/dbraw/zinc/96/28/33/500962833.db2.gz RXIDOCVNGWWREN-UHFFFAOYSA-N 2 1 356.514 3.498 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378956 500963892 /nfs/dbraw/zinc/96/38/92/500963892.db2.gz KTGBLEXNEQOJGO-QFBILLFUSA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000435386540 500965399 /nfs/dbraw/zinc/96/53/99/500965399.db2.gz XFRQSKBUFSGGHQ-FQEVSTJZSA-N 2 1 357.498 3.474 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000435386540 500965401 /nfs/dbraw/zinc/96/54/01/500965401.db2.gz XFRQSKBUFSGGHQ-FQEVSTJZSA-N 2 1 357.498 3.474 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435387028 500965992 /nfs/dbraw/zinc/96/59/92/500965992.db2.gz WKCDPZPPVMIYGQ-CVAIRZPRSA-N 2 1 358.917 3.371 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449328261 500978406 /nfs/dbraw/zinc/97/84/06/500978406.db2.gz IWIZRSDNUWUEGQ-UHFFFAOYSA-N 2 1 357.502 3.014 20 0 FGADMP CCn1nnc(C)c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000449340165 500981902 /nfs/dbraw/zinc/98/19/02/500981902.db2.gz NAWRYPRARZVSDD-UHFFFAOYSA-N 2 1 353.514 3.095 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000440191702 500985997 /nfs/dbraw/zinc/98/59/97/500985997.db2.gz VFTILHDMDNJIBX-HXUWFJFHSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449451075 501006026 /nfs/dbraw/zinc/00/60/26/501006026.db2.gz HRBSSYOGZDJQGN-CGTJXYLNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449451075 501006028 /nfs/dbraw/zinc/00/60/28/501006028.db2.gz HRBSSYOGZDJQGN-CGTJXYLNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449451075 501006031 /nfs/dbraw/zinc/00/60/31/501006031.db2.gz HRBSSYOGZDJQGN-CGTJXYLNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@H]3O)sc2C1 ZINC000449451075 501006034 /nfs/dbraw/zinc/00/60/34/501006034.db2.gz HRBSSYOGZDJQGN-CGTJXYLNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC1 ZINC000449491902 501016938 /nfs/dbraw/zinc/01/69/38/501016938.db2.gz BAKFSEFEWFVSIZ-IBGZPJMESA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC1 ZINC000449491902 501016942 /nfs/dbraw/zinc/01/69/42/501016942.db2.gz BAKFSEFEWFVSIZ-IBGZPJMESA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000449491902 501016945 /nfs/dbraw/zinc/01/69/45/501016945.db2.gz BAKFSEFEWFVSIZ-IBGZPJMESA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000449491902 501016947 /nfs/dbraw/zinc/01/69/47/501016947.db2.gz BAKFSEFEWFVSIZ-IBGZPJMESA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494573 501017584 /nfs/dbraw/zinc/01/75/84/501017584.db2.gz GXBYLOYJBCYAMF-NFBKMPQASA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494573 501017586 /nfs/dbraw/zinc/01/75/86/501017586.db2.gz GXBYLOYJBCYAMF-NFBKMPQASA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494573 501017587 /nfs/dbraw/zinc/01/75/87/501017587.db2.gz GXBYLOYJBCYAMF-NFBKMPQASA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494573 501017589 /nfs/dbraw/zinc/01/75/89/501017589.db2.gz GXBYLOYJBCYAMF-NFBKMPQASA-N 2 1 371.569 3.131 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000435726875 501019137 /nfs/dbraw/zinc/01/91/37/501019137.db2.gz BVBYGBYYXKPSED-OAQYLSRUSA-N 2 1 353.514 3.462 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510376 501021358 /nfs/dbraw/zinc/02/13/58/501021358.db2.gz XILLYEBPNGCGSC-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510376 501021360 /nfs/dbraw/zinc/02/13/60/501021360.db2.gz XILLYEBPNGCGSC-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510376 501021361 /nfs/dbraw/zinc/02/13/61/501021361.db2.gz XILLYEBPNGCGSC-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000449510376 501021362 /nfs/dbraw/zinc/02/13/62/501021362.db2.gz XILLYEBPNGCGSC-QFIPXVFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3coc4ccccc34)C2)CC1 ZINC000449508540 501021436 /nfs/dbraw/zinc/02/14/36/501021436.db2.gz UZQBNJSVGIXIRN-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3coc4ccccc34)C2)CC1 ZINC000449508540 501021439 /nfs/dbraw/zinc/02/14/39/501021439.db2.gz UZQBNJSVGIXIRN-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3coc4ccccc34)C2)CC1 ZINC000449508540 501021441 /nfs/dbraw/zinc/02/14/41/501021441.db2.gz UZQBNJSVGIXIRN-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000449508540 501021444 /nfs/dbraw/zinc/02/14/44/501021444.db2.gz UZQBNJSVGIXIRN-IBGZPJMESA-N 2 1 369.509 3.199 20 0 FGADMP Cn1nccc1[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449582002 501037644 /nfs/dbraw/zinc/03/76/44/501037644.db2.gz DAYPHODWHFEADI-TZIWHRDSSA-N 2 1 370.541 3.388 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2ccnn2C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449586666 501038988 /nfs/dbraw/zinc/03/89/88/501038988.db2.gz GMCKTACZPSGGKE-KMQSCTNJSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@H](CNC(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000446596396 501139761 /nfs/dbraw/zinc/13/97/61/501139761.db2.gz ZIOGPTLVWCLPAJ-GOSISDBHSA-N 2 1 368.525 3.433 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2ccccc2s1 ZINC000446828823 501170023 /nfs/dbraw/zinc/17/00/23/501170023.db2.gz ZPSFMYGFUAGGKZ-HNNXBMFYSA-N 2 1 359.539 3.495 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774506 506239204 /nfs/dbraw/zinc/23/92/04/506239204.db2.gz UYPMPVDUALIRMI-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592774506 506239211 /nfs/dbraw/zinc/23/92/11/506239211.db2.gz UYPMPVDUALIRMI-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592774506 506239218 /nfs/dbraw/zinc/23/92/18/506239218.db2.gz UYPMPVDUALIRMI-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP CCc1cc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)cc[nH+]1 ZINC000450307766 501230615 /nfs/dbraw/zinc/23/06/15/501230615.db2.gz HWFVXZPSLGRHDX-UHFFFAOYSA-N 2 1 369.509 3.168 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@H+](CC[C@H]3CCOC3)C2)C1)[C@H]1CCOC1 ZINC000451045985 501241550 /nfs/dbraw/zinc/24/15/50/501241550.db2.gz NKENWYLTOSNAOH-AHTKWCMKSA-N 2 1 350.547 3.018 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000453059831 501260543 /nfs/dbraw/zinc/26/05/43/501260543.db2.gz AOKFNNZEVGTSEG-HXUWFJFHSA-N 2 1 366.553 3.330 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000453110475 501271172 /nfs/dbraw/zinc/27/11/72/501271172.db2.gz BMMKHWLRMGVJRB-LZLYRXPVSA-N 2 1 352.544 3.305 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000453110475 501271173 /nfs/dbraw/zinc/27/11/73/501271173.db2.gz BMMKHWLRMGVJRB-LZLYRXPVSA-N 2 1 352.544 3.305 20 0 FGADMP CC(C)[C@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCCCCC1 ZINC000457629416 501271909 /nfs/dbraw/zinc/27/19/09/501271909.db2.gz UZHRWJNRXPNQRV-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453169621 501284089 /nfs/dbraw/zinc/28/40/89/501284089.db2.gz XVWHRGRLMSFKCC-ZCNNSNEGSA-N 2 1 357.542 3.324 20 0 FGADMP C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000451467025 501299035 /nfs/dbraw/zinc/29/90/35/501299035.db2.gz ZAPKYOPNCMOIPT-LOHFZDIYSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000451467025 501299036 /nfs/dbraw/zinc/29/90/36/501299036.db2.gz ZAPKYOPNCMOIPT-LOHFZDIYSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](O)[C@@H]2C)c1 ZINC000451467025 501299040 /nfs/dbraw/zinc/29/90/40/501299040.db2.gz ZAPKYOPNCMOIPT-LOHFZDIYSA-N 2 1 366.933 3.030 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000453312570 501312661 /nfs/dbraw/zinc/31/26/61/501312661.db2.gz VGVFAIVQUQNVTP-RDJZCZTQSA-N 2 1 350.503 3.107 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531377 501314233 /nfs/dbraw/zinc/31/42/33/501314233.db2.gz RHTFZTKEPMTIGI-ABIGYZDDSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531377 501314235 /nfs/dbraw/zinc/31/42/35/501314235.db2.gz RHTFZTKEPMTIGI-ABIGYZDDSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531377 501314239 /nfs/dbraw/zinc/31/42/39/501314239.db2.gz RHTFZTKEPMTIGI-ABIGYZDDSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531377 501314240 /nfs/dbraw/zinc/31/42/40/501314240.db2.gz RHTFZTKEPMTIGI-ABIGYZDDSA-N 2 1 369.553 3.356 20 0 FGADMP C[N@@H+](CCCC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C1CC1 ZINC000453392384 501324396 /nfs/dbraw/zinc/32/43/96/501324396.db2.gz FCUBBKFJCQYXTA-UHFFFAOYSA-N 2 1 369.509 3.058 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453399819 501324704 /nfs/dbraw/zinc/32/47/04/501324704.db2.gz LQHFVRXPOBXJMW-VSKRKVRLSA-N 2 1 350.510 3.360 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)CC1 ZINC000453428930 501330275 /nfs/dbraw/zinc/33/02/75/501330275.db2.gz IAOSQTJILXFPPW-NSKBAKJYSA-N 2 1 355.526 3.173 20 0 FGADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccco1 ZINC000455611988 501346815 /nfs/dbraw/zinc/34/68/15/501346815.db2.gz FWKRFBFGGSVXSI-ZBFHGGJFSA-N 2 1 355.442 3.487 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455880895 501405753 /nfs/dbraw/zinc/40/57/53/501405753.db2.gz SKEGMUFCEVCFQD-QZTJIDSGSA-N 2 1 356.470 3.253 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455910854 501413266 /nfs/dbraw/zinc/41/32/66/501413266.db2.gz IXXVMUWUFCXLSQ-WSTZPKSXSA-N 2 1 356.514 3.326 20 0 FGADMP C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000458423788 501441625 /nfs/dbraw/zinc/44/16/25/501441625.db2.gz KBSHMPDFUUNLHF-UHFFFAOYSA-N 2 1 372.513 3.051 20 0 FGADMP C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000458423788 501441626 /nfs/dbraw/zinc/44/16/26/501441626.db2.gz KBSHMPDFUUNLHF-UHFFFAOYSA-N 2 1 372.513 3.051 20 0 FGADMP CSc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000452160165 501448355 /nfs/dbraw/zinc/44/83/55/501448355.db2.gz BWYPDTBKHUIVTR-MJGOQNOKSA-N 2 1 363.571 3.392 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1)C(C)C ZINC000452174548 501453055 /nfs/dbraw/zinc/45/30/55/501453055.db2.gz QIHWYEGNKURYKD-GOSISDBHSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1)C(C)C ZINC000452174548 501453057 /nfs/dbraw/zinc/45/30/57/501453057.db2.gz QIHWYEGNKURYKD-GOSISDBHSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1)C(C)C ZINC000452174548 501453061 /nfs/dbraw/zinc/45/30/61/501453061.db2.gz QIHWYEGNKURYKD-GOSISDBHSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519911 501464936 /nfs/dbraw/zinc/46/49/36/501464936.db2.gz WLBGTSFPDZBWPX-UYAOXDASSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458555120 501473264 /nfs/dbraw/zinc/47/32/64/501473264.db2.gz LZPFAAHULZYSNT-BVOGOJNSSA-N 2 1 372.557 3.097 20 0 FGADMP Cn1cncc1CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495039 506255363 /nfs/dbraw/zinc/25/53/63/506255363.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495039 506255371 /nfs/dbraw/zinc/25/53/71/506255371.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495039 506255379 /nfs/dbraw/zinc/25/53/79/506255379.db2.gz UMYMYUDRIYGHMO-IFMALSPDSA-N 2 1 352.526 3.339 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000458568631 501476202 /nfs/dbraw/zinc/47/62/02/501476202.db2.gz KXQNUNYGWPWAMQ-HDYDNRTBSA-N 2 1 364.578 3.061 20 0 FGADMP Cn1ccnc1[C@@H]1N(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC000454204766 501481663 /nfs/dbraw/zinc/48/16/63/501481663.db2.gz FBQRZWORPPICHO-KRWDZBQOSA-N 2 1 361.534 3.167 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458655031 501499969 /nfs/dbraw/zinc/49/99/69/501499969.db2.gz CDQPATXUPYIDEE-ZVDOUQERSA-N 2 1 372.557 3.023 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](CC)CC)cc1 ZINC000458793100 501532982 /nfs/dbraw/zinc/53/29/82/501532982.db2.gz MCMGOMMOSPSQLA-OAQYLSRUSA-N 2 1 372.557 3.193 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCc2cnccc2OC)CC1)CC1CC1 ZINC000458805752 501535635 /nfs/dbraw/zinc/53/56/35/501535635.db2.gz FBHFVYZQRBVNHC-UHFFFAOYSA-N 2 1 374.529 3.134 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459270010 501622883 /nfs/dbraw/zinc/62/28/83/501622883.db2.gz UTXQDXUGSVECNF-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270010 501622885 /nfs/dbraw/zinc/62/28/85/501622885.db2.gz UTXQDXUGSVECNF-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270010 501622886 /nfs/dbraw/zinc/62/28/86/501622886.db2.gz UTXQDXUGSVECNF-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000454760922 501623831 /nfs/dbraw/zinc/62/38/31/501623831.db2.gz DOTQLIZFEWZWHT-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000454760922 501623833 /nfs/dbraw/zinc/62/38/33/501623833.db2.gz DOTQLIZFEWZWHT-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454760922 501623835 /nfs/dbraw/zinc/62/38/35/501623835.db2.gz DOTQLIZFEWZWHT-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459346677 501635901 /nfs/dbraw/zinc/63/59/01/501635901.db2.gz UMOMFVPXBDJBNB-HNNXBMFYSA-N 2 1 371.319 3.087 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459346677 501635904 /nfs/dbraw/zinc/63/59/04/501635904.db2.gz UMOMFVPXBDJBNB-HNNXBMFYSA-N 2 1 371.319 3.087 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1SC ZINC000459394759 501646084 /nfs/dbraw/zinc/64/60/84/501646084.db2.gz YBIXUHBNKBMIAZ-BZZMCLGOSA-N 2 1 354.585 3.459 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1SC ZINC000459394759 501646088 /nfs/dbraw/zinc/64/60/88/501646088.db2.gz YBIXUHBNKBMIAZ-BZZMCLGOSA-N 2 1 354.585 3.459 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459416129 501649838 /nfs/dbraw/zinc/64/98/38/501649838.db2.gz QBHXTWLCSKUWMW-VABKMULXSA-N 2 1 364.537 3.281 20 0 FGADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459416129 501649839 /nfs/dbraw/zinc/64/98/39/501649839.db2.gz QBHXTWLCSKUWMW-VABKMULXSA-N 2 1 364.537 3.281 20 0 FGADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459416129 501649842 /nfs/dbraw/zinc/64/98/42/501649842.db2.gz QBHXTWLCSKUWMW-VABKMULXSA-N 2 1 364.537 3.281 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000457200756 501664294 /nfs/dbraw/zinc/66/42/94/501664294.db2.gz LZBPBPDFKBXPTA-IBGZPJMESA-N 2 1 371.569 3.320 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000455121828 501691979 /nfs/dbraw/zinc/69/19/79/501691979.db2.gz VJIVXXWFWIAARN-UHFFFAOYSA-N 2 1 372.557 3.170 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457495789 501710512 /nfs/dbraw/zinc/71/05/12/501710512.db2.gz ROQZZRUHQMFRHF-IAGOWNOFSA-N 2 1 364.559 3.011 20 0 FGADMP CN(C(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470661586 501758572 /nfs/dbraw/zinc/75/85/72/501758572.db2.gz YAPIWWORUHLSKY-JOCHJYFZSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470661586 501758577 /nfs/dbraw/zinc/75/85/77/501758577.db2.gz YAPIWWORUHLSKY-JOCHJYFZSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470661586 501758581 /nfs/dbraw/zinc/75/85/81/501758581.db2.gz YAPIWWORUHLSKY-JOCHJYFZSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470661586 501758585 /nfs/dbraw/zinc/75/85/85/501758585.db2.gz YAPIWWORUHLSKY-JOCHJYFZSA-N 2 1 365.521 3.241 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359440 501803606 /nfs/dbraw/zinc/80/36/06/501803606.db2.gz FNSWPKPBHNMKJP-HDAAZOAOSA-N 2 1 374.573 3.171 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460359440 501803613 /nfs/dbraw/zinc/80/36/13/501803613.db2.gz FNSWPKPBHNMKJP-HDAAZOAOSA-N 2 1 374.573 3.171 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460359440 501803622 /nfs/dbraw/zinc/80/36/22/501803622.db2.gz FNSWPKPBHNMKJP-HDAAZOAOSA-N 2 1 374.573 3.171 20 0 FGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463738457 501808157 /nfs/dbraw/zinc/80/81/57/501808157.db2.gz IWFIVLWUSFODRV-HXUWFJFHSA-N 2 1 370.541 3.378 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463738457 501808164 /nfs/dbraw/zinc/80/81/64/501808164.db2.gz IWFIVLWUSFODRV-HXUWFJFHSA-N 2 1 370.541 3.378 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000460383400 501810134 /nfs/dbraw/zinc/81/01/34/501810134.db2.gz IAKYWFNHLFLCCQ-ZVDOUQERSA-N 2 1 368.562 3.131 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858065 501811404 /nfs/dbraw/zinc/81/14/04/501811404.db2.gz KJSRDBHQTWGQHU-UZKOGDIHSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858065 501811409 /nfs/dbraw/zinc/81/14/09/501811409.db2.gz KJSRDBHQTWGQHU-UZKOGDIHSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000485427342 501818549 /nfs/dbraw/zinc/81/85/49/501818549.db2.gz CFYMVQLLNPXIRP-FGTMMUONSA-N 2 1 367.603 3.116 20 0 FGADMP CC(C)(C)OC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472903 501830595 /nfs/dbraw/zinc/83/05/95/501830595.db2.gz DELBMRWAMHTONR-HXUWFJFHSA-N 2 1 360.542 3.151 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000477926191 501830698 /nfs/dbraw/zinc/83/06/98/501830698.db2.gz KNSFOGLUZZYYDY-PSWRPDDJSA-N 2 1 360.542 3.491 20 0 FGADMP C[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476919 501831828 /nfs/dbraw/zinc/83/18/28/501831828.db2.gz QNUUDGKHGLBUGT-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(C[N@H+]1CCCC2(CCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000470866819 501834679 /nfs/dbraw/zinc/83/46/79/501834679.db2.gz OWCPYYHPAPSIHA-UHFFFAOYSA-N 2 1 373.566 3.440 20 0 FGADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)o1 ZINC000470876310 501839685 /nfs/dbraw/zinc/83/96/85/501839685.db2.gz RSANQNCYAPAFRU-SFHVURJKSA-N 2 1 361.530 3.133 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470899346 501846505 /nfs/dbraw/zinc/84/65/05/501846505.db2.gz WZRBCCVHVGKGOG-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470899346 501846509 /nfs/dbraw/zinc/84/65/09/501846509.db2.gz WZRBCCVHVGKGOG-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470899346 501846511 /nfs/dbraw/zinc/84/65/11/501846511.db2.gz WZRBCCVHVGKGOG-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000474475140 501848295 /nfs/dbraw/zinc/84/82/95/501848295.db2.gz HXUWUTXSDOPXLF-UHFFFAOYSA-N 2 1 374.525 3.120 20 0 FGADMP COC(=O)c1ccccc1CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471025631 501895002 /nfs/dbraw/zinc/89/50/02/501895002.db2.gz NSVFTGNQBGXNFB-OYRHEFFESA-N 2 1 364.489 3.080 20 0 FGADMP COC(=O)c1ccccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000471025631 501895007 /nfs/dbraw/zinc/89/50/07/501895007.db2.gz NSVFTGNQBGXNFB-OYRHEFFESA-N 2 1 364.489 3.080 20 0 FGADMP COC(=O)c1ccccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471025631 501895009 /nfs/dbraw/zinc/89/50/09/501895009.db2.gz NSVFTGNQBGXNFB-OYRHEFFESA-N 2 1 364.489 3.080 20 0 FGADMP COC(=O)c1ccccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000471025631 501895011 /nfs/dbraw/zinc/89/50/11/501895011.db2.gz NSVFTGNQBGXNFB-OYRHEFFESA-N 2 1 364.489 3.080 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@H]1CCC[NH+](C)C1 ZINC000485669293 501895105 /nfs/dbraw/zinc/89/51/05/501895105.db2.gz DYWSYDHJDJJGSR-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H]1C ZINC000474624477 501898505 /nfs/dbraw/zinc/89/85/05/501898505.db2.gz UUBZDORBYKIHNJ-QANKJYHBSA-N 2 1 359.445 3.387 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@@H](C)C1 ZINC000474722264 501933165 /nfs/dbraw/zinc/93/31/65/501933165.db2.gz ZFQXVKQPBYIKRV-VWMQHHCSSA-N 2 1 368.562 3.225 20 0 FGADMP CC[NH+]1CCN(C(=O)NC[C@@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000468030566 501935738 /nfs/dbraw/zinc/93/57/38/501935738.db2.gz QLMDVPBOYSHTDA-UYAOXDASSA-N 2 1 360.546 3.099 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019219 501948904 /nfs/dbraw/zinc/94/89/04/501948904.db2.gz MILMYAUOFRYNTR-NJDAHSKKSA-N 2 1 373.541 3.210 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019219 501948908 /nfs/dbraw/zinc/94/89/08/501948908.db2.gz MILMYAUOFRYNTR-NJDAHSKKSA-N 2 1 373.541 3.210 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033582 501952898 /nfs/dbraw/zinc/95/28/98/501952898.db2.gz OVYHFSHZGGMVLZ-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033582 501952906 /nfs/dbraw/zinc/95/29/06/501952906.db2.gz OVYHFSHZGGMVLZ-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)CC1 ZINC000474795880 501954998 /nfs/dbraw/zinc/95/49/98/501954998.db2.gz RAQXHEVPJVQUBL-UHFFFAOYSA-N 2 1 359.514 3.460 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)cc1 ZINC000474818510 501962547 /nfs/dbraw/zinc/96/25/47/501962547.db2.gz TYVPRLPZPIPKQQ-OAHLLOKOSA-N 2 1 373.464 3.222 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824627 501963867 /nfs/dbraw/zinc/96/38/67/501963867.db2.gz HTCQOGOIGZHJPC-HLIPFELVSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824627 501963871 /nfs/dbraw/zinc/96/38/71/501963871.db2.gz HTCQOGOIGZHJPC-HLIPFELVSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474824627 501963875 /nfs/dbraw/zinc/96/38/75/501963875.db2.gz HTCQOGOIGZHJPC-HLIPFELVSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474824627 501963879 /nfs/dbraw/zinc/96/38/79/501963879.db2.gz HTCQOGOIGZHJPC-HLIPFELVSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000461036889 501995162 /nfs/dbraw/zinc/99/51/62/501995162.db2.gz GJNBZRYJVCKBLH-AEFFLSMTSA-N 2 1 360.546 3.338 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000461036889 501995169 /nfs/dbraw/zinc/99/51/69/501995169.db2.gz GJNBZRYJVCKBLH-AEFFLSMTSA-N 2 1 360.546 3.338 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)C1 ZINC000474944605 502001668 /nfs/dbraw/zinc/00/16/68/502001668.db2.gz SRWDLFMMBYMVFL-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP C[C@@H](C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033788 502028859 /nfs/dbraw/zinc/02/88/59/502028859.db2.gz SJABYYTVKBHVLN-GHTZIAJQSA-N 2 1 353.510 3.141 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464643968 502052734 /nfs/dbraw/zinc/05/27/34/502052734.db2.gz QCSYKHFQDSQGFS-CRAIPNDOSA-N 2 1 351.922 3.133 20 0 FGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468428365 502057243 /nfs/dbraw/zinc/05/72/43/502057243.db2.gz MLJTVGNEVXRXQX-LAUBAEHRSA-N 2 1 357.542 3.442 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000468466656 502067271 /nfs/dbraw/zinc/06/72/71/502067271.db2.gz KQFOTGLQFYMMJU-SFHVURJKSA-N 2 1 357.498 3.345 20 0 FGADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1Cl ZINC000482453235 502072681 /nfs/dbraw/zinc/07/26/81/502072681.db2.gz MUXYJWZQEWHBSF-MRXNPFEDSA-N 2 1 358.313 3.198 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000468483694 502076238 /nfs/dbraw/zinc/07/62/38/502076238.db2.gz LJMVLVBGBXLUPR-JOCHJYFZSA-N 2 1 363.505 3.173 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000468483694 502076244 /nfs/dbraw/zinc/07/62/44/502076244.db2.gz LJMVLVBGBXLUPR-JOCHJYFZSA-N 2 1 363.505 3.173 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478780308 502083261 /nfs/dbraw/zinc/08/32/61/502083261.db2.gz MAKPHEOYXHDIHZ-KDURUIRLSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791407 502086390 /nfs/dbraw/zinc/08/63/90/502086390.db2.gz DRUHYNZEUUHBLS-ICSRJNTNSA-N 2 1 372.557 3.243 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475183032 502092187 /nfs/dbraw/zinc/09/21/87/502092187.db2.gz MSMJSDORYJCYNI-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475183032 502092192 /nfs/dbraw/zinc/09/21/92/502092192.db2.gz MSMJSDORYJCYNI-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475183032 502092195 /nfs/dbraw/zinc/09/21/95/502092195.db2.gz MSMJSDORYJCYNI-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000461438093 502114332 /nfs/dbraw/zinc/11/43/32/502114332.db2.gz KFSSSFUSZNIZGQ-FCHUYYIVSA-N 2 1 369.553 3.233 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461445093 502117189 /nfs/dbraw/zinc/11/71/89/502117189.db2.gz BTSRRIVEBAJWES-HKBOAZHASA-N 2 1 357.542 3.134 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448080 502117963 /nfs/dbraw/zinc/11/79/63/502117963.db2.gz OTISRGJYVFNZJX-BHIFYINESA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448080 502117970 /nfs/dbraw/zinc/11/79/70/502117970.db2.gz OTISRGJYVFNZJX-BHIFYINESA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461448080 502117976 /nfs/dbraw/zinc/11/79/76/502117976.db2.gz OTISRGJYVFNZJX-BHIFYINESA-N 2 1 369.553 3.231 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000468664660 502140672 /nfs/dbraw/zinc/14/06/72/502140672.db2.gz BQKPIRQMVMDBJX-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000482690029 502153192 /nfs/dbraw/zinc/15/31/92/502153192.db2.gz OKNYKZXRYVVFGY-INIZCTEOSA-N 2 1 374.447 3.253 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000482690029 502153195 /nfs/dbraw/zinc/15/31/95/502153195.db2.gz OKNYKZXRYVVFGY-INIZCTEOSA-N 2 1 374.447 3.253 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000461721040 502179247 /nfs/dbraw/zinc/17/92/47/502179247.db2.gz FYNLHRQIMCMOOM-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000461721040 502179253 /nfs/dbraw/zinc/17/92/53/502179253.db2.gz FYNLHRQIMCMOOM-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000461721040 502179258 /nfs/dbraw/zinc/17/92/58/502179258.db2.gz FYNLHRQIMCMOOM-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP [NH3+]C[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000479227240 502198433 /nfs/dbraw/zinc/19/84/33/502198433.db2.gz SZALSALCEHLMRZ-NHCUHLMSSA-N 2 1 369.484 3.039 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2)CC1 ZINC000475528563 502204582 /nfs/dbraw/zinc/20/45/82/502204582.db2.gz KEVXAHGAEJUPDG-LJQANCHMSA-N 2 1 365.521 3.417 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000479254940 502206169 /nfs/dbraw/zinc/20/61/69/502206169.db2.gz LCNRTZDYACHSIU-DENIHFKCSA-N 2 1 365.521 3.412 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000479254940 502206174 /nfs/dbraw/zinc/20/61/74/502206174.db2.gz LCNRTZDYACHSIU-DENIHFKCSA-N 2 1 365.521 3.412 20 0 FGADMP CCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894712 502209652 /nfs/dbraw/zinc/20/96/52/502209652.db2.gz WWOXQISWHVPIJJ-KRWDZBQOSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000482895774 502209840 /nfs/dbraw/zinc/20/98/40/502209840.db2.gz WOQBHSPVFDYNTF-LJHODMEESA-N 2 1 353.913 3.373 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000482895774 502209845 /nfs/dbraw/zinc/20/98/45/502209845.db2.gz WOQBHSPVFDYNTF-LJHODMEESA-N 2 1 353.913 3.373 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1 ZINC000465196957 502211805 /nfs/dbraw/zinc/21/18/05/502211805.db2.gz QEMPJXXVJBGQOZ-XLIONFOSSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465196957 502211812 /nfs/dbraw/zinc/21/18/12/502211812.db2.gz QEMPJXXVJBGQOZ-XLIONFOSSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465196957 502211818 /nfs/dbraw/zinc/21/18/18/502211818.db2.gz QEMPJXXVJBGQOZ-XLIONFOSSA-N 2 1 359.514 3.220 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000472143848 502246602 /nfs/dbraw/zinc/24/66/02/502246602.db2.gz ILSXXHLRHHBBLI-QGZVFWFLSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462018075 502275598 /nfs/dbraw/zinc/27/55/98/502275598.db2.gz YOBWZIDVVLTGHJ-PMACEKPBSA-N 2 1 357.542 3.026 20 0 FGADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1c1ccccc1 ZINC000472232999 502279536 /nfs/dbraw/zinc/27/95/36/502279536.db2.gz WCXORWOSEUPGCQ-PGRDOPGGSA-N 2 1 369.553 3.245 20 0 FGADMP CCC[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000486845497 502282197 /nfs/dbraw/zinc/28/21/97/502282197.db2.gz WALBDUGQAOCGQK-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000479520664 502284788 /nfs/dbraw/zinc/28/47/88/502284788.db2.gz YKPCNHSHVFVRRE-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000479520664 502284791 /nfs/dbraw/zinc/28/47/91/502284791.db2.gz YKPCNHSHVFVRRE-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C1CC1 ZINC000479520664 502284795 /nfs/dbraw/zinc/28/47/95/502284795.db2.gz YKPCNHSHVFVRRE-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462056125 502289583 /nfs/dbraw/zinc/28/95/83/502289583.db2.gz HNLUVZWAZYFSNZ-NRFANRHFSA-N 2 1 357.542 3.423 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000483147810 502291274 /nfs/dbraw/zinc/29/12/74/502291274.db2.gz SKFXCADURBXPJE-GHTZIAJQSA-N 2 1 356.514 3.099 20 0 FGADMP CC(C)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530138 502291400 /nfs/dbraw/zinc/29/14/00/502291400.db2.gz NBOOMRGRESOYFQ-PMACEKPBSA-N 2 1 366.594 3.259 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000465541908 502299552 /nfs/dbraw/zinc/29/95/52/502299552.db2.gz MQWPFFYLHJITBT-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910453 502300668 /nfs/dbraw/zinc/30/06/68/502300668.db2.gz HYKRGKUYFRIWFK-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000465579870 502314169 /nfs/dbraw/zinc/31/41/69/502314169.db2.gz VUYVGICNONQHCE-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000465579870 502314171 /nfs/dbraw/zinc/31/41/71/502314171.db2.gz VUYVGICNONQHCE-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000465579870 502314178 /nfs/dbraw/zinc/31/41/78/502314178.db2.gz VUYVGICNONQHCE-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000465595735 502319768 /nfs/dbraw/zinc/31/97/68/502319768.db2.gz JHVRTVRVBQCKTR-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000479641215 502328117 /nfs/dbraw/zinc/32/81/17/502328117.db2.gz NKGUUQWPSZXMQO-GHTZIAJQSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000479641215 502328119 /nfs/dbraw/zinc/32/81/19/502328119.db2.gz NKGUUQWPSZXMQO-GHTZIAJQSA-N 2 1 355.526 3.156 20 0 FGADMP CCC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000479678695 502341031 /nfs/dbraw/zinc/34/10/31/502341031.db2.gz VGVXTDPMHGEQKG-UHFFFAOYSA-N 2 1 357.420 3.144 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766862 502377509 /nfs/dbraw/zinc/37/75/09/502377509.db2.gz YBPGPCLTFPHGSA-VZHSDHNVSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766862 502377514 /nfs/dbraw/zinc/37/75/14/502377514.db2.gz YBPGPCLTFPHGSA-VZHSDHNVSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766862 502377517 /nfs/dbraw/zinc/37/75/17/502377517.db2.gz YBPGPCLTFPHGSA-VZHSDHNVSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000469345761 502383289 /nfs/dbraw/zinc/38/32/89/502383289.db2.gz RDQVGAOFZANLOC-IYBDPMFKSA-N 2 1 357.498 3.487 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822361 502396010 /nfs/dbraw/zinc/39/60/10/502396010.db2.gz VZOOWROLOMBKJP-NHCUHLMSSA-N 2 1 372.557 3.161 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846392 502401860 /nfs/dbraw/zinc/40/18/60/502401860.db2.gz NWIQEFGQGSRTKV-MOPGFXCFSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465846392 502401861 /nfs/dbraw/zinc/40/18/61/502401861.db2.gz NWIQEFGQGSRTKV-MOPGFXCFSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465846392 502401865 /nfs/dbraw/zinc/40/18/65/502401865.db2.gz NWIQEFGQGSRTKV-MOPGFXCFSA-N 2 1 360.546 3.023 20 0 FGADMP CCCCCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484885 502405672 /nfs/dbraw/zinc/40/56/72/502405672.db2.gz QVJXCCZOWMGQGD-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886180 502416102 /nfs/dbraw/zinc/41/61/02/502416102.db2.gz ITWONGWREMGOBD-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465886180 502416104 /nfs/dbraw/zinc/41/61/04/502416104.db2.gz ITWONGWREMGOBD-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465886180 502416107 /nfs/dbraw/zinc/41/61/07/502416107.db2.gz ITWONGWREMGOBD-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000469441308 502419442 /nfs/dbraw/zinc/41/94/42/502419442.db2.gz TUJFUAWBWZQXPD-QFUCXCTJSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000469441308 502419447 /nfs/dbraw/zinc/41/94/47/502419447.db2.gz TUJFUAWBWZQXPD-QFUCXCTJSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000469441308 502419452 /nfs/dbraw/zinc/41/94/52/502419452.db2.gz TUJFUAWBWZQXPD-QFUCXCTJSA-N 2 1 372.557 3.067 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000483617976 502444519 /nfs/dbraw/zinc/44/45/19/502444519.db2.gz SMMULFBDLJROEI-AOIWGVFYSA-N 2 1 352.494 3.320 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628928 502447629 /nfs/dbraw/zinc/44/76/29/502447629.db2.gz RYINXQQEIJFZGO-ZWOKBUDYSA-N 2 1 352.494 3.320 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000487518986 502465476 /nfs/dbraw/zinc/46/54/76/502465476.db2.gz QLLRZXUUKNZOHV-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000487518986 502465482 /nfs/dbraw/zinc/46/54/82/502465482.db2.gz QLLRZXUUKNZOHV-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@@H]1C ZINC000483714550 502472187 /nfs/dbraw/zinc/47/21/87/502472187.db2.gz OQGRYDIHUPBFNQ-ZWKOTPCHSA-N 2 1 352.567 3.155 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000480113981 502476186 /nfs/dbraw/zinc/47/61/86/502476186.db2.gz HNKFTKYPJRLYOG-UHFFFAOYSA-N 2 1 368.481 3.396 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462535745 502479210 /nfs/dbraw/zinc/47/92/10/502479210.db2.gz QBAVOTFOAOOQEH-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462535745 502479216 /nfs/dbraw/zinc/47/92/16/502479216.db2.gz QBAVOTFOAOOQEH-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462535745 502479221 /nfs/dbraw/zinc/47/92/21/502479221.db2.gz QBAVOTFOAOOQEH-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000487559033 502479519 /nfs/dbraw/zinc/47/95/19/502479519.db2.gz MGMPBFAZWPRNGS-UHFFFAOYSA-N 2 1 363.889 3.364 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756149 502484396 /nfs/dbraw/zinc/48/43/96/502484396.db2.gz CFWQOAOELZCMNV-ZSXPUABSSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756149 502484400 /nfs/dbraw/zinc/48/44/00/502484400.db2.gz CFWQOAOELZCMNV-ZSXPUABSSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C[C@@H]1C ZINC000483756149 502484406 /nfs/dbraw/zinc/48/44/06/502484406.db2.gz CFWQOAOELZCMNV-ZSXPUABSSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000472983511 502491113 /nfs/dbraw/zinc/49/11/13/502491113.db2.gz MSKLGVUACIBCEZ-FQEVSTJZSA-N 2 1 361.505 3.125 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000472983511 502491118 /nfs/dbraw/zinc/49/11/18/502491118.db2.gz MSKLGVUACIBCEZ-FQEVSTJZSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002321 502496375 /nfs/dbraw/zinc/49/63/75/502496375.db2.gz ROOUUNJFOYUDMC-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473002321 502496379 /nfs/dbraw/zinc/49/63/79/502496379.db2.gz ROOUUNJFOYUDMC-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473002321 502496384 /nfs/dbraw/zinc/49/63/84/502496384.db2.gz ROOUUNJFOYUDMC-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462617575 502509166 /nfs/dbraw/zinc/50/91/66/502509166.db2.gz LHSKAEJWJPAAMV-VAMGGRTRSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462617575 502509169 /nfs/dbraw/zinc/50/91/69/502509169.db2.gz LHSKAEJWJPAAMV-VAMGGRTRSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462617575 502509176 /nfs/dbraw/zinc/50/91/76/502509176.db2.gz LHSKAEJWJPAAMV-VAMGGRTRSA-N 2 1 366.594 3.403 20 0 FGADMP c1ccc(CN2CCC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)CC2)nc1 ZINC000480274612 502521111 /nfs/dbraw/zinc/52/11/11/502521111.db2.gz AXKHPYIUSNBDCN-UHFFFAOYSA-N 2 1 364.537 3.084 20 0 FGADMP c1ccc(CN2CCC([NH2+]CCC[N@H+]3CCc4ccccc4C3)CC2)nc1 ZINC000480274612 502521116 /nfs/dbraw/zinc/52/11/16/502521116.db2.gz AXKHPYIUSNBDCN-UHFFFAOYSA-N 2 1 364.537 3.084 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000483952915 502530954 /nfs/dbraw/zinc/53/09/54/502530954.db2.gz IHMSXSKTRTUXBK-SFHVURJKSA-N 2 1 358.530 3.387 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@H+]1Cc1ccccc1 ZINC000480305813 502532716 /nfs/dbraw/zinc/53/27/16/502532716.db2.gz GNWWSQNXVYFHEL-HKUYNNGSSA-N 2 1 355.530 3.423 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761559 502535612 /nfs/dbraw/zinc/53/56/12/502535612.db2.gz UTPPQYKJOREGPA-ROUUACIJSA-N 2 1 359.558 3.285 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000466365952 502548822 /nfs/dbraw/zinc/54/88/22/502548822.db2.gz YVBNORHRROPQQU-HWHRFOGPSA-N 2 1 372.553 3.328 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484126999 502577165 /nfs/dbraw/zinc/57/71/65/502577165.db2.gz GPGNWPMQFJDETO-OIBXWCBGSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484126999 502577172 /nfs/dbraw/zinc/57/71/72/502577172.db2.gz GPGNWPMQFJDETO-OIBXWCBGSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469884988 502583381 /nfs/dbraw/zinc/58/33/81/502583381.db2.gz RBXFLLXWEKXPNZ-KSEOMHKRSA-N 2 1 352.526 3.416 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584086 502610519 /nfs/dbraw/zinc/61/05/19/502610519.db2.gz PEAYUQUYJWZNDX-JAXLGGSGSA-N 2 1 359.558 3.158 20 0 FGADMP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccc1F ZINC000480722727 502653322 /nfs/dbraw/zinc/65/33/22/502653322.db2.gz CJGUNVOGAHOFAO-KRWDZBQOSA-N 2 1 361.505 3.158 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000463061810 502680270 /nfs/dbraw/zinc/68/02/70/502680270.db2.gz LHSKAEJWJPAAMV-SLFFLAALSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000463061810 502680271 /nfs/dbraw/zinc/68/02/71/502680271.db2.gz LHSKAEJWJPAAMV-SLFFLAALSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000463061810 502680273 /nfs/dbraw/zinc/68/02/73/502680273.db2.gz LHSKAEJWJPAAMV-SLFFLAALSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920726 502705486 /nfs/dbraw/zinc/70/54/86/502705486.db2.gz KHXCHEYTWZDMRQ-RTWAWAEBSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000480920726 502705494 /nfs/dbraw/zinc/70/54/94/502705494.db2.gz KHXCHEYTWZDMRQ-RTWAWAEBSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000480920726 502705498 /nfs/dbraw/zinc/70/54/98/502705498.db2.gz KHXCHEYTWZDMRQ-RTWAWAEBSA-N 2 1 357.542 3.204 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000470243763 502714429 /nfs/dbraw/zinc/71/44/29/502714429.db2.gz PJDPPGLAYVAELC-MPGHIAIKSA-N 2 1 371.447 3.484 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027761 502732683 /nfs/dbraw/zinc/73/26/83/502732683.db2.gz VKFLDEICIWXRGJ-ZFWWWQNUSA-N 2 1 362.461 3.448 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473884247 502737171 /nfs/dbraw/zinc/73/71/71/502737171.db2.gz HLSPCGOTISQTSB-UYAOXDASSA-N 2 1 360.546 3.195 20 0 FGADMP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473883593 502737510 /nfs/dbraw/zinc/73/75/10/502737510.db2.gz ZVYVLHLFCNIPQE-NQIIRXRSSA-N 2 1 372.557 3.338 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000481088561 502750517 /nfs/dbraw/zinc/75/05/17/502750517.db2.gz FIYPNKBQWBOZRJ-HXUWFJFHSA-N 2 1 352.478 3.471 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000488584017 502757529 /nfs/dbraw/zinc/75/75/29/502757529.db2.gz QHDJOYVARDJJBE-RXVVDRJESA-N 2 1 372.557 3.114 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000488584014 502757984 /nfs/dbraw/zinc/75/79/84/502757984.db2.gz QHDJOYVARDJJBE-NQIIRXRSSA-N 2 1 372.557 3.114 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481176162 502773265 /nfs/dbraw/zinc/77/32/65/502773265.db2.gz XIJVIRAXKQWCSV-USXQIBFBSA-N 2 1 357.542 3.182 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481176162 502773269 /nfs/dbraw/zinc/77/32/69/502773269.db2.gz XIJVIRAXKQWCSV-USXQIBFBSA-N 2 1 357.542 3.182 20 0 FGADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000470461033 502784109 /nfs/dbraw/zinc/78/41/09/502784109.db2.gz WFUYAESEEYMMEW-UHFFFAOYSA-N 2 1 369.896 3.291 20 0 FGADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000470461033 502784114 /nfs/dbraw/zinc/78/41/14/502784114.db2.gz WFUYAESEEYMMEW-UHFFFAOYSA-N 2 1 369.896 3.291 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000470481123 502790136 /nfs/dbraw/zinc/79/01/36/502790136.db2.gz CJDFHHUWUQPHJA-UHFFFAOYSA-N 2 1 353.491 3.091 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992048 502794660 /nfs/dbraw/zinc/79/46/60/502794660.db2.gz XFRJUYPNLUZZMH-KLHJMIIUSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000484992048 502794666 /nfs/dbraw/zinc/79/46/66/502794666.db2.gz XFRJUYPNLUZZMH-KLHJMIIUSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085891 502804783 /nfs/dbraw/zinc/80/47/83/502804783.db2.gz ZVICCYWKXFDWHB-QFBILLFUSA-N 2 1 352.469 3.427 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085891 502804786 /nfs/dbraw/zinc/80/47/86/502804786.db2.gz ZVICCYWKXFDWHB-QFBILLFUSA-N 2 1 352.469 3.427 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823337 502871218 /nfs/dbraw/zinc/87/12/18/502871218.db2.gz AHIOIELRCWCHDR-LEWJYISDSA-N 2 1 372.557 3.387 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602038 502946269 /nfs/dbraw/zinc/94/62/69/502946269.db2.gz JYTBGJPPUJEAEV-IRLDBZIGSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602038 502946273 /nfs/dbraw/zinc/94/62/73/502946273.db2.gz JYTBGJPPUJEAEV-IRLDBZIGSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602038 502946277 /nfs/dbraw/zinc/94/62/77/502946277.db2.gz JYTBGJPPUJEAEV-IRLDBZIGSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602038 502946282 /nfs/dbraw/zinc/94/62/82/502946282.db2.gz JYTBGJPPUJEAEV-IRLDBZIGSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602035 502946592 /nfs/dbraw/zinc/94/65/92/502946592.db2.gz JYTBGJPPUJEAEV-IFMALSPDSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602035 502946595 /nfs/dbraw/zinc/94/65/95/502946595.db2.gz JYTBGJPPUJEAEV-IFMALSPDSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602035 502946599 /nfs/dbraw/zinc/94/65/99/502946599.db2.gz JYTBGJPPUJEAEV-IFMALSPDSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602035 502946605 /nfs/dbraw/zinc/94/66/05/502946605.db2.gz JYTBGJPPUJEAEV-IFMALSPDSA-N 2 1 373.516 3.125 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000513544628 502963246 /nfs/dbraw/zinc/96/32/46/502963246.db2.gz KNMGKBPJEDGSEU-YLJYHZDGSA-N 2 1 351.494 3.176 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749464 502978333 /nfs/dbraw/zinc/97/83/33/502978333.db2.gz IXOVOXAKJVVGMX-IBGZPJMESA-N 2 1 362.562 3.174 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760658 502980721 /nfs/dbraw/zinc/98/07/21/502980721.db2.gz VXDFNHGZYKEODT-OAQYLSRUSA-N 2 1 359.558 3.111 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000513656262 502992372 /nfs/dbraw/zinc/99/23/72/502992372.db2.gz QYWTVYRKAJPXIN-BZUAXINKSA-N 2 1 353.304 3.420 20 0 FGADMP CS[C@@H]1CCCC[NH+](CCOCC[N@@H+]2CCCC[C@@H](SC)C2)C1 ZINC000489619904 502999729 /nfs/dbraw/zinc/99/97/29/502999729.db2.gz INKFCXYUGKSHAZ-QZTJIDSGSA-N 2 1 360.633 3.438 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H](C)C[NH2+]1 ZINC000505875425 503003768 /nfs/dbraw/zinc/00/37/68/503003768.db2.gz WCCAGDDSLZUHQU-MSOLQXFVSA-N 2 1 351.494 3.141 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)Cc3ccc(O)cc3)cc2)CC1 ZINC000509959537 503018339 /nfs/dbraw/zinc/01/83/39/503018339.db2.gz XFMDUQPFTZYGJU-LJQANCHMSA-N 2 1 367.537 3.251 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515802 503026509 /nfs/dbraw/zinc/02/65/09/503026509.db2.gz CUEOOZWPQBYORS-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515802 503026515 /nfs/dbraw/zinc/02/65/15/503026515.db2.gz CUEOOZWPQBYORS-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000501547122 503034502 /nfs/dbraw/zinc/03/45/02/503034502.db2.gz RSROJLFXCSVBMS-AZUAARDMSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891553 503042875 /nfs/dbraw/zinc/04/28/75/503042875.db2.gz ITOIZZQYKRYKHR-SBHAEUEKSA-N 2 1 372.557 3.243 20 0 FGADMP C[NH+](C)C1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCCCC1 ZINC000501601864 503047025 /nfs/dbraw/zinc/04/70/25/503047025.db2.gz LBVWPIBROSZSFZ-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906510 503062067 /nfs/dbraw/zinc/06/20/67/503062067.db2.gz LQDAGOVZMPXSQZ-TZMCWYRMSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906510 503062074 /nfs/dbraw/zinc/06/20/74/503062074.db2.gz LQDAGOVZMPXSQZ-TZMCWYRMSA-N 2 1 358.313 3.374 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCCC[C@@H]3CC[NH3+])ccc2c1 ZINC000489938866 503070588 /nfs/dbraw/zinc/07/05/88/503070588.db2.gz ZUPWWFRXKQULSM-HXUWFJFHSA-N 2 1 369.509 3.010 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCCC[C@@H]3CC[NH3+])ccc2c1 ZINC000489938866 503070593 /nfs/dbraw/zinc/07/05/93/503070593.db2.gz ZUPWWFRXKQULSM-HXUWFJFHSA-N 2 1 369.509 3.010 20 0 FGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)CC1CCCC1 ZINC000489986549 503082896 /nfs/dbraw/zinc/08/28/96/503082896.db2.gz FMFHVESKGQWRBD-UHFFFAOYSA-N 2 1 356.470 3.146 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000510336828 503094186 /nfs/dbraw/zinc/09/41/86/503094186.db2.gz NPKNONXPQKASOR-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000514126705 503094476 /nfs/dbraw/zinc/09/44/76/503094476.db2.gz LHSXEFYMXUAECS-MOPGFXCFSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000514126705 503094478 /nfs/dbraw/zinc/09/44/78/503094478.db2.gz LHSXEFYMXUAECS-MOPGFXCFSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000514126705 503094480 /nfs/dbraw/zinc/09/44/80/503094480.db2.gz LHSXEFYMXUAECS-MOPGFXCFSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000498214140 503132704 /nfs/dbraw/zinc/13/27/04/503132704.db2.gz NVEUBMMRAFAONU-LMNJBCLMSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000498270602 503147690 /nfs/dbraw/zinc/14/76/90/503147690.db2.gz AQSOZFNSULSHOR-WMQCIHAUSA-N 2 1 372.557 3.242 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615563 503156127 /nfs/dbraw/zinc/15/61/27/503156127.db2.gz CPRWEAYHHUSIBV-NHCUHLMSSA-N 2 1 357.542 3.074 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615563 503156134 /nfs/dbraw/zinc/15/61/34/503156134.db2.gz CPRWEAYHHUSIBV-NHCUHLMSSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615563 503156136 /nfs/dbraw/zinc/15/61/36/503156136.db2.gz CPRWEAYHHUSIBV-NHCUHLMSSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615563 503156142 /nfs/dbraw/zinc/15/61/42/503156142.db2.gz CPRWEAYHHUSIBV-NHCUHLMSSA-N 2 1 357.542 3.074 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1)C1CC1 ZINC000510705037 503176376 /nfs/dbraw/zinc/17/63/76/503176376.db2.gz RCFLTOYIMKRXRO-UHFFFAOYSA-N 2 1 355.526 3.371 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000498597799 503223694 /nfs/dbraw/zinc/22/36/94/503223694.db2.gz MHTNEWAOGDPQDH-IBGZPJMESA-N 2 1 359.901 3.434 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000498725841 503249976 /nfs/dbraw/zinc/24/99/76/503249976.db2.gz AMGKSGKQJOJNCE-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987783 503256486 /nfs/dbraw/zinc/25/64/86/503256486.db2.gz MXZHDHGSDDAPQF-PXNSSMCTSA-N 2 1 370.566 3.268 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490987783 503256490 /nfs/dbraw/zinc/25/64/90/503256490.db2.gz MXZHDHGSDDAPQF-PXNSSMCTSA-N 2 1 370.566 3.268 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000502798785 503274687 /nfs/dbraw/zinc/27/46/87/503274687.db2.gz NWDWPEWACACHHU-HKUYNNGSSA-N 2 1 358.530 3.043 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851933 503275407 /nfs/dbraw/zinc/27/54/07/503275407.db2.gz FKZLSUIEFPLYQT-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498851933 503275411 /nfs/dbraw/zinc/27/54/11/503275411.db2.gz FKZLSUIEFPLYQT-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP COc1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000515129166 503276229 /nfs/dbraw/zinc/27/62/29/503276229.db2.gz XUEWNKKADGXMEZ-VAMGGRTRSA-N 2 1 352.482 3.018 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000498898587 503286936 /nfs/dbraw/zinc/28/69/36/503286936.db2.gz COQQLIMUEWPXCF-NRSPTQNISA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498898587 503286940 /nfs/dbraw/zinc/28/69/40/503286940.db2.gz COQQLIMUEWPXCF-NRSPTQNISA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498898587 503286944 /nfs/dbraw/zinc/28/69/44/503286944.db2.gz COQQLIMUEWPXCF-NRSPTQNISA-N 2 1 372.557 3.213 20 0 FGADMP COc1cc(C[N@H+](CCn2cc[nH+]c2C)C2CC2)ccc1OC(F)F ZINC000498938239 503298995 /nfs/dbraw/zinc/29/89/95/503298995.db2.gz CKBAGCGINWLSDP-UHFFFAOYSA-N 2 1 351.397 3.466 20 0 FGADMP COc1cc(C[N@@H+](CCn2cc[nH+]c2C)C2CC2)ccc1OC(F)F ZINC000498938239 503298997 /nfs/dbraw/zinc/29/89/97/503298997.db2.gz CKBAGCGINWLSDP-UHFFFAOYSA-N 2 1 351.397 3.466 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000507488882 503308395 /nfs/dbraw/zinc/30/83/95/503308395.db2.gz VUAUJSGNJPVMKS-ZDFPQIBNSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000507488882 503308398 /nfs/dbraw/zinc/30/83/98/503308398.db2.gz VUAUJSGNJPVMKS-ZDFPQIBNSA-N 2 1 354.469 3.359 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000511495631 503331801 /nfs/dbraw/zinc/33/18/01/503331801.db2.gz NXPQWTARMUXOGY-QFBILLFUSA-N 2 1 365.477 3.274 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000511495631 503331804 /nfs/dbraw/zinc/33/18/04/503331804.db2.gz NXPQWTARMUXOGY-QFBILLFUSA-N 2 1 365.477 3.274 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492580726 503375496 /nfs/dbraw/zinc/37/54/96/503375496.db2.gz PJVGFCOOCZWOTB-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492580726 503375499 /nfs/dbraw/zinc/37/54/99/503375499.db2.gz PJVGFCOOCZWOTB-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP [NH3+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCCC1 ZINC000515809277 503405699 /nfs/dbraw/zinc/40/56/99/503405699.db2.gz ZXXBHVUBCKOKMV-IHWFROFDSA-N 2 1 370.541 3.143 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811091 503406175 /nfs/dbraw/zinc/40/61/75/503406175.db2.gz OMYCLNHDIKUOBN-CRAIPNDOSA-N 2 1 366.937 3.103 20 0 FGADMP CC[C@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000508037770 503417746 /nfs/dbraw/zinc/41/77/46/503417746.db2.gz KVLSWSNMBPHTQN-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000508037770 503417748 /nfs/dbraw/zinc/41/77/48/503417748.db2.gz KVLSWSNMBPHTQN-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000508037770 503417751 /nfs/dbraw/zinc/41/77/51/503417751.db2.gz KVLSWSNMBPHTQN-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)N2CC[NH+](C3CC3)CC2)CCCC1)c1ccccc1 ZINC000503707531 503463363 /nfs/dbraw/zinc/46/33/63/503463363.db2.gz JNWYKCBWGVZMMK-GOSISDBHSA-N 2 1 370.541 3.140 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494058828 503480787 /nfs/dbraw/zinc/48/07/87/503480787.db2.gz GXZQMJMZHUROCF-UIFIKXQLSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058828 503480790 /nfs/dbraw/zinc/48/07/90/503480790.db2.gz GXZQMJMZHUROCF-UIFIKXQLSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058828 503480795 /nfs/dbraw/zinc/48/07/95/503480795.db2.gz GXZQMJMZHUROCF-UIFIKXQLSA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512195457 503483322 /nfs/dbraw/zinc/48/33/22/503483322.db2.gz NUGBASLNCYJXIR-NQIIRXRSSA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092710 503486471 /nfs/dbraw/zinc/48/64/71/503486471.db2.gz RHMADVXKOJFCGV-OTWHNJEPSA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092710 503486474 /nfs/dbraw/zinc/48/64/74/503486474.db2.gz RHMADVXKOJFCGV-OTWHNJEPSA-N 2 1 367.484 3.191 20 0 FGADMP C[N@@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCC[NH+](C)C1 ZINC000508534917 503515533 /nfs/dbraw/zinc/51/55/33/503515533.db2.gz QLUAJMXPTZXQEK-AWEZNQCLSA-N 2 1 365.315 3.499 20 0 FGADMP C[N@H+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCC[NH+](C)C1 ZINC000508534917 503515535 /nfs/dbraw/zinc/51/55/35/503515535.db2.gz QLUAJMXPTZXQEK-AWEZNQCLSA-N 2 1 365.315 3.499 20 0 FGADMP C[NH+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCC[N@H+](C)C1 ZINC000508534917 503515539 /nfs/dbraw/zinc/51/55/39/503515539.db2.gz QLUAJMXPTZXQEK-AWEZNQCLSA-N 2 1 365.315 3.499 20 0 FGADMP C[NH+](CC1=Cc2cc(Br)ccc2OC1)C[C@H]1CCC[N@@H+](C)C1 ZINC000508534917 503515541 /nfs/dbraw/zinc/51/55/41/503515541.db2.gz QLUAJMXPTZXQEK-AWEZNQCLSA-N 2 1 365.315 3.499 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494266735 503515667 /nfs/dbraw/zinc/51/56/67/503515667.db2.gz AMTJSQFBWIBHAH-RBUKOAKNSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494266735 503515668 /nfs/dbraw/zinc/51/56/68/503515668.db2.gz AMTJSQFBWIBHAH-RBUKOAKNSA-N 2 1 361.917 3.220 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cccnc2N(C)C)cc1 ZINC000508604318 503527623 /nfs/dbraw/zinc/52/76/23/503527623.db2.gz HEUVWYWLHUXFGB-UHFFFAOYSA-N 2 1 354.498 3.310 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560117 503536722 /nfs/dbraw/zinc/53/67/22/503536722.db2.gz GYPDXUFQNLYJPZ-CBQOVEMMSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)([NH+](C)C)C1 ZINC000516560117 503536724 /nfs/dbraw/zinc/53/67/24/503536724.db2.gz GYPDXUFQNLYJPZ-CBQOVEMMSA-N 2 1 372.557 3.195 20 0 FGADMP COc1cccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512419921 503544948 /nfs/dbraw/zinc/54/49/48/503544948.db2.gz FCURAYFBQPTBOF-QFIPXVFZSA-N 2 1 365.521 3.087 20 0 FGADMP COc1cccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000512419921 503544951 /nfs/dbraw/zinc/54/49/51/503544951.db2.gz FCURAYFBQPTBOF-QFIPXVFZSA-N 2 1 365.521 3.087 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435495 503549876 /nfs/dbraw/zinc/54/98/76/503549876.db2.gz JDIYFCBDRDINRS-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000500113459 503556840 /nfs/dbraw/zinc/55/68/40/503556840.db2.gz VCFVUVWWBDYDBC-RLHVNXBHSA-N 2 1 372.557 3.069 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000494601109 503572151 /nfs/dbraw/zinc/57/21/51/503572151.db2.gz JOKXBYLCFCAWKB-NRFANRHFSA-N 2 1 355.526 3.162 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000516700464 503573564 /nfs/dbraw/zinc/57/35/64/503573564.db2.gz KXGSVFFVOIQKSA-LMNJBCLMSA-N 2 1 373.566 3.402 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494686943 503592221 /nfs/dbraw/zinc/59/22/21/503592221.db2.gz PNAMOMLCUWUAAD-UEXGIBASSA-N 2 1 357.542 3.313 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000516839508 503597566 /nfs/dbraw/zinc/59/75/66/503597566.db2.gz IARSAYTVLDANGD-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000516839508 503597568 /nfs/dbraw/zinc/59/75/68/503597568.db2.gz IARSAYTVLDANGD-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000516839508 503597570 /nfs/dbraw/zinc/59/75/70/503597570.db2.gz IARSAYTVLDANGD-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP CC(C)Oc1cccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000512669215 503607976 /nfs/dbraw/zinc/60/79/76/503607976.db2.gz QYGOYEOADUDXJC-PMACEKPBSA-N 2 1 359.558 3.464 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930956 503637751 /nfs/dbraw/zinc/63/77/51/503637751.db2.gz BHIOXRLGYDECAI-WMZOPIPTSA-N 2 1 350.915 3.342 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930956 503637753 /nfs/dbraw/zinc/63/77/53/503637753.db2.gz BHIOXRLGYDECAI-WMZOPIPTSA-N 2 1 350.915 3.342 20 0 FGADMP C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517019810 503645790 /nfs/dbraw/zinc/64/57/90/503645790.db2.gz PRWJFNZIZCPXBC-AZUAARDMSA-N 2 1 372.557 3.248 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025131 503646584 /nfs/dbraw/zinc/64/65/84/503646584.db2.gz JEYCXCIWIUASOJ-SIKLNZKXSA-N 2 1 368.521 3.415 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(CC)(C3CC3)C3CC3)CC2)CC1 ZINC000529801252 503706526 /nfs/dbraw/zinc/70/65/26/503706526.db2.gz YFIVAKDFDPOPGY-UHFFFAOYSA-N 2 1 361.574 3.268 20 0 FGADMP Cc1cc([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C2CC2)ccc1F ZINC000540301308 503732855 /nfs/dbraw/zinc/73/28/55/503732855.db2.gz HHIIJXFHIQEWJD-NRFANRHFSA-N 2 1 361.505 3.118 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000543406857 503757942 /nfs/dbraw/zinc/75/79/42/503757942.db2.gz MYHKBYGWNFSDJE-NFBKMPQASA-N 2 1 373.585 3.470 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458865 503780030 /nfs/dbraw/zinc/78/00/30/503780030.db2.gz NJTHTVQOHIXWSV-LQBOVUBWSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458865 503780035 /nfs/dbraw/zinc/78/00/35/503780035.db2.gz NJTHTVQOHIXWSV-LQBOVUBWSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589955 503780061 /nfs/dbraw/zinc/78/00/61/503780061.db2.gz XESIMMARDGEAOW-RDJZCZTQSA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000533271994 503786704 /nfs/dbraw/zinc/78/67/04/503786704.db2.gz UJKBBVLJZKLVBX-UHFFFAOYSA-N 2 1 369.456 3.279 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000533271994 503786709 /nfs/dbraw/zinc/78/67/09/503786709.db2.gz UJKBBVLJZKLVBX-UHFFFAOYSA-N 2 1 369.456 3.279 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000517651965 503797186 /nfs/dbraw/zinc/79/71/86/503797186.db2.gz WCPIEAUKUUNTCK-ZIAGYGMSSA-N 2 1 370.419 3.141 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024185 503797985 /nfs/dbraw/zinc/79/79/85/503797985.db2.gz KVFRDBBOIYTCLD-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024185 503797989 /nfs/dbraw/zinc/79/79/89/503797989.db2.gz KVFRDBBOIYTCLD-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024185 503797994 /nfs/dbraw/zinc/79/79/94/503797994.db2.gz KVFRDBBOIYTCLD-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578884 503818415 /nfs/dbraw/zinc/81/84/15/503818415.db2.gz DXRRTKJQEPGHHX-IEBWSBKVSA-N 2 1 372.557 3.341 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578884 503818418 /nfs/dbraw/zinc/81/84/18/503818418.db2.gz DXRRTKJQEPGHHX-IEBWSBKVSA-N 2 1 372.557 3.341 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000540573279 503821686 /nfs/dbraw/zinc/82/16/86/503821686.db2.gz VUSULWKASODIKQ-CEWLAPEOSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573279 503821687 /nfs/dbraw/zinc/82/16/87/503821687.db2.gz VUSULWKASODIKQ-CEWLAPEOSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573279 503821691 /nfs/dbraw/zinc/82/16/91/503821691.db2.gz VUSULWKASODIKQ-CEWLAPEOSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C(=O)NCC4)CC2)C1 ZINC000543599431 503824941 /nfs/dbraw/zinc/82/49/41/503824941.db2.gz TZBFSUCBAOGLEI-OXQOHEQNSA-N 2 1 355.526 3.105 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CCCC2)CC1 ZINC000540593708 503827053 /nfs/dbraw/zinc/82/70/53/503827053.db2.gz OFSPNXHCPSWRRN-AQNXPRMDSA-N 2 1 362.558 3.347 20 0 FGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000540593401 503827205 /nfs/dbraw/zinc/82/72/05/503827205.db2.gz FLUPBIRXQUYGMH-HOTGVXAUSA-N 2 1 357.498 3.233 20 0 FGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000540593401 503827208 /nfs/dbraw/zinc/82/72/08/503827208.db2.gz FLUPBIRXQUYGMH-HOTGVXAUSA-N 2 1 357.498 3.233 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715227 503864400 /nfs/dbraw/zinc/86/44/00/503864400.db2.gz LKFYUNSDFWDUDI-RTBURBONSA-N 2 1 358.530 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000517916865 503867287 /nfs/dbraw/zinc/86/72/87/503867287.db2.gz MXVNEXRVTHZNPW-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532609 503877381 /nfs/dbraw/zinc/87/73/81/503877381.db2.gz OLOLUMAXBQMGBN-CJNGLKHVSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532609 503877384 /nfs/dbraw/zinc/87/73/84/503877384.db2.gz OLOLUMAXBQMGBN-CJNGLKHVSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532609 503877387 /nfs/dbraw/zinc/87/73/87/503877387.db2.gz OLOLUMAXBQMGBN-CJNGLKHVSA-N 2 1 372.294 3.453 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222034 503881951 /nfs/dbraw/zinc/88/19/51/503881951.db2.gz QRNSRQQLPVVEML-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527667942 503885095 /nfs/dbraw/zinc/88/50/95/503885095.db2.gz WQTBNILXIWWABJ-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833095 503909007 /nfs/dbraw/zinc/90/90/07/503909007.db2.gz JYRGHSOROHGHQG-IEBWSBKVSA-N 2 1 358.530 3.172 20 0 FGADMP Cc1ccc(N[C@@H]2CC[N@H+](C)C[C@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833095 503909011 /nfs/dbraw/zinc/90/90/11/503909011.db2.gz JYRGHSOROHGHQG-IEBWSBKVSA-N 2 1 358.530 3.172 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000530297074 503915031 /nfs/dbraw/zinc/91/50/31/503915031.db2.gz YHFUSDRYRKJNGX-UHFFFAOYSA-N 2 1 361.449 3.229 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC000530336530 503930035 /nfs/dbraw/zinc/93/00/35/503930035.db2.gz CVSFWOKMVFJKPB-WMLDXEAASA-N 2 1 368.905 3.295 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC000530336530 503930039 /nfs/dbraw/zinc/93/00/39/503930039.db2.gz CVSFWOKMVFJKPB-WMLDXEAASA-N 2 1 368.905 3.295 20 0 FGADMP COc1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000527799294 503949961 /nfs/dbraw/zinc/94/99/61/503949961.db2.gz UCXBBUKLQLMQTR-FQEVSTJZSA-N 2 1 351.494 3.420 20 0 FGADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000527799294 503949965 /nfs/dbraw/zinc/94/99/65/503949965.db2.gz UCXBBUKLQLMQTR-FQEVSTJZSA-N 2 1 351.494 3.420 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000518349055 503958429 /nfs/dbraw/zinc/95/84/29/503958429.db2.gz PAXRYJNWZJEAKQ-RDJZCZTQSA-N 2 1 360.889 3.397 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976266 503961331 /nfs/dbraw/zinc/96/13/31/503961331.db2.gz HFHBWMCCZUWKJE-CBPXPLCBSA-N 2 1 358.526 3.072 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438134 503983841 /nfs/dbraw/zinc/98/38/41/503983841.db2.gz MIUVVHNKIMBMAG-WIYYLYMNSA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438134 503983847 /nfs/dbraw/zinc/98/38/47/503983847.db2.gz MIUVVHNKIMBMAG-WIYYLYMNSA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438134 503983851 /nfs/dbraw/zinc/98/38/51/503983851.db2.gz MIUVVHNKIMBMAG-WIYYLYMNSA-N 2 1 353.510 3.316 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000533913241 503987501 /nfs/dbraw/zinc/98/75/01/503987501.db2.gz OEDDBIOVDNVPBP-VQTJNVASSA-N 2 1 360.546 3.240 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000530623924 504030256 /nfs/dbraw/zinc/03/02/56/504030256.db2.gz XYEMPYJLJQCKMD-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000530623924 504030260 /nfs/dbraw/zinc/03/02/60/504030260.db2.gz XYEMPYJLJQCKMD-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000530623924 504030263 /nfs/dbraw/zinc/03/02/63/504030263.db2.gz XYEMPYJLJQCKMD-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000530623924 504030267 /nfs/dbraw/zinc/03/02/67/504030267.db2.gz XYEMPYJLJQCKMD-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000530623924 504030270 /nfs/dbraw/zinc/03/02/70/504030270.db2.gz XYEMPYJLJQCKMD-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000530627159 504033008 /nfs/dbraw/zinc/03/30/08/504033008.db2.gz JPPWYQFTVQHFAQ-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(Br)c2)C1 ZINC000530627159 504033014 /nfs/dbraw/zinc/03/30/14/504033014.db2.gz JPPWYQFTVQHFAQ-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000527998820 504032959 /nfs/dbraw/zinc/03/29/59/504032959.db2.gz KAFSPRWXLHREEP-KIZRIRGWSA-N 2 1 361.489 3.050 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000527998820 504032964 /nfs/dbraw/zinc/03/29/64/504032964.db2.gz KAFSPRWXLHREEP-KIZRIRGWSA-N 2 1 361.489 3.050 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CCC[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000541240050 504056118 /nfs/dbraw/zinc/05/61/18/504056118.db2.gz UVNYPFCOYDRXID-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000518829536 504073342 /nfs/dbraw/zinc/07/33/42/504073342.db2.gz JJWPKNFFHITRGA-FQEVSTJZSA-N 2 1 355.482 3.259 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000518829536 504073346 /nfs/dbraw/zinc/07/33/46/504073346.db2.gz JJWPKNFFHITRGA-FQEVSTJZSA-N 2 1 355.482 3.259 20 0 FGADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000528106937 504074206 /nfs/dbraw/zinc/07/42/06/504074206.db2.gz PKEDNGSHDBDWPC-NHCUHLMSSA-N 2 1 368.525 3.246 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCn1cc[nH+]c1C ZINC000528106937 504074211 /nfs/dbraw/zinc/07/42/11/504074211.db2.gz PKEDNGSHDBDWPC-NHCUHLMSSA-N 2 1 368.525 3.246 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769845 504081999 /nfs/dbraw/zinc/08/19/99/504081999.db2.gz WGGWNXCFNZNIAT-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000530769845 504082001 /nfs/dbraw/zinc/08/20/01/504082001.db2.gz WGGWNXCFNZNIAT-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000530769845 504082008 /nfs/dbraw/zinc/08/20/08/504082008.db2.gz WGGWNXCFNZNIAT-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)c2cccs2)CC1 ZINC000547394268 504089493 /nfs/dbraw/zinc/08/94/93/504089493.db2.gz LROJOJUNOGSVAR-ICSRJNTNSA-N 2 1 374.529 3.312 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146438 504091116 /nfs/dbraw/zinc/09/11/16/504091116.db2.gz ACVZEHILZHBQMI-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000528146438 504091119 /nfs/dbraw/zinc/09/11/19/504091119.db2.gz ACVZEHILZHBQMI-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000528146438 504091121 /nfs/dbraw/zinc/09/11/21/504091121.db2.gz ACVZEHILZHBQMI-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1cccc3ccccc31)CC2 ZINC000541330809 504092375 /nfs/dbraw/zinc/09/23/75/504092375.db2.gz XYVQHSIEZFFQQY-LJQANCHMSA-N 2 1 354.494 3.140 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1cccc3ccccc31)CC2 ZINC000541330809 504092380 /nfs/dbraw/zinc/09/23/80/504092380.db2.gz XYVQHSIEZFFQQY-LJQANCHMSA-N 2 1 354.494 3.140 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC000544359837 504102864 /nfs/dbraw/zinc/10/28/64/504102864.db2.gz NTQCZOPFQUEGNA-LVCYWYKZSA-N 2 1 373.541 3.262 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000519017927 504119713 /nfs/dbraw/zinc/11/97/13/504119713.db2.gz XQBCITJSSOYYEO-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cc(C)cc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000538043480 504123069 /nfs/dbraw/zinc/12/30/69/504123069.db2.gz RWYQQGHSNHXKEM-WOJBJXKFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424521 504128830 /nfs/dbraw/zinc/12/88/30/504128830.db2.gz NHOHQFDPAPOZHA-IRFCIJBXSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424521 504128837 /nfs/dbraw/zinc/12/88/37/504128837.db2.gz NHOHQFDPAPOZHA-IRFCIJBXSA-N 2 1 371.569 3.285 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508738 504131548 /nfs/dbraw/zinc/13/15/48/504131548.db2.gz IPBXTCLLZORBFH-WRJHFWDFSA-N 2 1 357.542 3.180 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528284342 504146774 /nfs/dbraw/zinc/14/67/74/504146774.db2.gz AYZBRZHMUFSQCV-FQEVSTJZSA-N 2 1 362.562 3.100 20 0 FGADMP CC[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000538155680 504148087 /nfs/dbraw/zinc/14/80/87/504148087.db2.gz XSEUPFUZXAHOJY-HXUWFJFHSA-N 2 1 373.541 3.214 20 0 FGADMP CC(C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178077 504159337 /nfs/dbraw/zinc/15/93/37/504159337.db2.gz ZBJPBWGIZONVOO-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@@H]1CCOC1 ZINC000538198251 504159303 /nfs/dbraw/zinc/15/93/03/504159303.db2.gz VVLFXHVFVJGOQE-RCLSDMTESA-N 2 1 360.542 3.210 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000531104543 504190712 /nfs/dbraw/zinc/19/07/12/504190712.db2.gz IGWQUBDDEFFSDM-KRWDZBQOSA-N 2 1 355.320 3.382 20 0 FGADMP CO[C@@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000528363894 504189016 /nfs/dbraw/zinc/18/90/16/504189016.db2.gz GIMDMAMPXQXNLN-UEXGIBASSA-N 2 1 363.521 3.004 20 0 FGADMP CO[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)c1ccc(F)cc1 ZINC000528363894 504189020 /nfs/dbraw/zinc/18/90/20/504189020.db2.gz GIMDMAMPXQXNLN-UEXGIBASSA-N 2 1 363.521 3.004 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000531104543 504190707 /nfs/dbraw/zinc/19/07/07/504190707.db2.gz IGWQUBDDEFFSDM-KRWDZBQOSA-N 2 1 355.320 3.382 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602156 504195656 /nfs/dbraw/zinc/19/56/56/504195656.db2.gz GAXXXQYLEJJYIF-QFBILLFUSA-N 2 1 355.526 3.356 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602156 504195663 /nfs/dbraw/zinc/19/56/63/504195663.db2.gz GAXXXQYLEJJYIF-QFBILLFUSA-N 2 1 355.526 3.356 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccc(C)cc1 ZINC000547786469 504225220 /nfs/dbraw/zinc/22/52/20/504225220.db2.gz UGUUUTXTQRTVPF-NRFANRHFSA-N 2 1 353.510 3.236 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396098 504234426 /nfs/dbraw/zinc/23/44/26/504234426.db2.gz QBDFKFHFBXEHDM-MHTWAQMVSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000538396098 504234427 /nfs/dbraw/zinc/23/44/27/504234427.db2.gz QBDFKFHFBXEHDM-MHTWAQMVSA-N 2 1 360.542 3.489 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531318514 504264466 /nfs/dbraw/zinc/26/44/66/504264466.db2.gz TZBKLOUWIAXIIW-OLMNPRSZSA-N 2 1 366.937 3.067 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528560302 504273068 /nfs/dbraw/zinc/27/30/68/504273068.db2.gz LRHMUBMOAHHHSD-IBGZPJMESA-N 2 1 363.933 3.105 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528560302 504273072 /nfs/dbraw/zinc/27/30/72/504273072.db2.gz LRHMUBMOAHHHSD-IBGZPJMESA-N 2 1 363.933 3.105 20 0 FGADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cnc1N1CCCC[C@H]1C ZINC000541878197 504286455 /nfs/dbraw/zinc/28/64/55/504286455.db2.gz ZYGZONUPIKSRBR-SJORKVTESA-N 2 1 359.518 3.232 20 0 FGADMP CCC(C)(C)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967669 504296494 /nfs/dbraw/zinc/29/64/94/504296494.db2.gz IKYIHIHYFQDHNA-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP O=C(CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)NC1CCCC1 ZINC000534966786 504297011 /nfs/dbraw/zinc/29/70/11/504297011.db2.gz GEJMIPQWTPGZGG-UHFFFAOYSA-N 2 1 369.553 3.423 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000538796616 504374393 /nfs/dbraw/zinc/37/43/93/504374393.db2.gz MSBOVRMYLIWPMF-WBVHZDCISA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000538796616 504374404 /nfs/dbraw/zinc/37/44/04/504374404.db2.gz MSBOVRMYLIWPMF-WBVHZDCISA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000538796616 504374408 /nfs/dbraw/zinc/37/44/08/504374408.db2.gz MSBOVRMYLIWPMF-WBVHZDCISA-N 2 1 372.465 3.144 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000519920161 504383424 /nfs/dbraw/zinc/38/34/24/504383424.db2.gz QGJOQRUDIZBIJL-XAPVIXHLSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519920161 504383430 /nfs/dbraw/zinc/38/34/30/504383430.db2.gz QGJOQRUDIZBIJL-XAPVIXHLSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519920161 504383434 /nfs/dbraw/zinc/38/34/34/504383434.db2.gz QGJOQRUDIZBIJL-XAPVIXHLSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204703 504395321 /nfs/dbraw/zinc/39/53/21/504395321.db2.gz DQWCMVONBHMIGE-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204703 504395322 /nfs/dbraw/zinc/39/53/22/504395322.db2.gz DQWCMVONBHMIGE-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204703 504395326 /nfs/dbraw/zinc/39/53/26/504395326.db2.gz DQWCMVONBHMIGE-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1F ZINC000531710646 504400187 /nfs/dbraw/zinc/40/01/87/504400187.db2.gz LJICWRQPKPQONB-DYESRHJHSA-N 2 1 371.500 3.474 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000545240310 504412204 /nfs/dbraw/zinc/41/22/04/504412204.db2.gz UCWNUOUUGXYUNP-FXAWDEMLSA-N 2 1 373.566 3.266 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccccc1 ZINC000535469439 504443626 /nfs/dbraw/zinc/44/36/26/504443626.db2.gz ONCBNIXGXAZGDX-YADHBBJMSA-N 2 1 372.472 3.422 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000545351094 504456247 /nfs/dbraw/zinc/45/62/47/504456247.db2.gz RPYKSRMTQXQSMQ-HNNXBMFYSA-N 2 1 367.415 3.107 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000520301695 504459169 /nfs/dbraw/zinc/45/91/69/504459169.db2.gz QURNICZUOXWTSS-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057778 504460096 /nfs/dbraw/zinc/46/00/96/504460096.db2.gz DCAWLJADMYTXBS-SZXPJGKVSA-N 2 1 358.448 3.175 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481924 504461763 /nfs/dbraw/zinc/46/17/63/504461763.db2.gz SUUCIGFAXAWCHJ-DYESRHJHSA-N 2 1 354.542 3.470 20 0 FGADMP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000542385923 504470228 /nfs/dbraw/zinc/47/02/28/504470228.db2.gz ATHAWHOGNFAXNZ-CQSZACIVSA-N 2 1 370.324 3.026 20 0 FGADMP C[N@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000542385923 504470232 /nfs/dbraw/zinc/47/02/32/504470232.db2.gz ATHAWHOGNFAXNZ-CQSZACIVSA-N 2 1 370.324 3.026 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000520379710 504484069 /nfs/dbraw/zinc/48/40/69/504484069.db2.gz LJODTQOCJVYMDW-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000520379710 504484070 /nfs/dbraw/zinc/48/40/70/504484070.db2.gz LJODTQOCJVYMDW-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000520379710 504484073 /nfs/dbraw/zinc/48/40/73/504484073.db2.gz LJODTQOCJVYMDW-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000528991608 504485450 /nfs/dbraw/zinc/48/54/50/504485450.db2.gz RSKMZFNZUDVYEE-NHCUHLMSSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000520406024 504491001 /nfs/dbraw/zinc/49/10/01/504491001.db2.gz SJCVEYBEVBLQBC-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454712 504494898 /nfs/dbraw/zinc/49/48/98/504494898.db2.gz MWJLLOKPZZFAPZ-PXNSSMCTSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454712 504494903 /nfs/dbraw/zinc/49/49/03/504494903.db2.gz MWJLLOKPZZFAPZ-PXNSSMCTSA-N 2 1 361.505 3.171 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(n3)CCC4)CC2)oc1C ZINC000520527544 504520511 /nfs/dbraw/zinc/52/05/11/504520511.db2.gz BKAOHLCXOQWMFH-UHFFFAOYSA-N 2 1 354.498 3.177 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000539320804 504528963 /nfs/dbraw/zinc/52/89/63/504528963.db2.gz YSUJJGLMWTWNIB-WMZOPIPTSA-N 2 1 352.906 3.380 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806502 504550696 /nfs/dbraw/zinc/55/06/96/504550696.db2.gz ZFNVYJWRSMYMHQ-IFMALSPDSA-N 2 1 371.569 3.467 20 0 FGADMP COc1cccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000532188397 504567481 /nfs/dbraw/zinc/56/74/81/504567481.db2.gz DICHXQUPHFZWNJ-VQIMIIECSA-N 2 1 359.539 3.396 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(Br)ccc1F ZINC000532195535 504570007 /nfs/dbraw/zinc/57/00/07/504570007.db2.gz RBZQCZJQVKMMIW-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243492 504583547 /nfs/dbraw/zinc/58/35/47/504583547.db2.gz LOQUXOVWVPOJMX-BHIFYINESA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243492 504583553 /nfs/dbraw/zinc/58/35/53/504583553.db2.gz LOQUXOVWVPOJMX-BHIFYINESA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243492 504583559 /nfs/dbraw/zinc/58/35/59/504583559.db2.gz LOQUXOVWVPOJMX-BHIFYINESA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC[C@@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243492 504583563 /nfs/dbraw/zinc/58/35/63/504583563.db2.gz LOQUXOVWVPOJMX-BHIFYINESA-N 2 1 358.526 3.169 20 0 FGADMP C[N@@H+]1CC=C(CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000539486261 504586382 /nfs/dbraw/zinc/58/63/82/504586382.db2.gz MBCIHAFVHGODHJ-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000539508148 504594382 /nfs/dbraw/zinc/59/43/82/504594382.db2.gz SMVXQBSYKBQLHT-RTBURBONSA-N 2 1 352.563 3.451 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758361 504598266 /nfs/dbraw/zinc/59/82/66/504598266.db2.gz ARLUIDINUROGPE-SCTDSRPQSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000542763557 504599067 /nfs/dbraw/zinc/59/90/67/504599067.db2.gz VICATOSCGPQCDK-UHFFFAOYSA-N 2 1 374.554 3.194 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1cccc(Cl)c1 ZINC000521073402 504643253 /nfs/dbraw/zinc/64/32/53/504643253.db2.gz SADRSVAJDLDELV-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1)CC(C)C ZINC000529358444 504644010 /nfs/dbraw/zinc/64/40/10/504644010.db2.gz SRNWBRYCPHKVBN-LJQANCHMSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139643 504659213 /nfs/dbraw/zinc/65/92/13/504659213.db2.gz HZTXNLUZSXPVQV-RCLSDMTESA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000521139643 504659218 /nfs/dbraw/zinc/65/92/18/504659218.db2.gz HZTXNLUZSXPVQV-RCLSDMTESA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000521139643 504659223 /nfs/dbraw/zinc/65/92/23/504659223.db2.gz HZTXNLUZSXPVQV-RCLSDMTESA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1C ZINC000546035173 504682733 /nfs/dbraw/zinc/68/27/33/504682733.db2.gz SZZMCNLRUHJTNF-FQEVSTJZSA-N 2 1 354.542 3.385 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000529482768 504692969 /nfs/dbraw/zinc/69/29/69/504692969.db2.gz OGVZCPZSHLUIKD-BHDDXSALSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000529482768 504692974 /nfs/dbraw/zinc/69/29/74/504692974.db2.gz OGVZCPZSHLUIKD-BHDDXSALSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000529482768 504692982 /nfs/dbraw/zinc/69/29/82/504692982.db2.gz OGVZCPZSHLUIKD-BHDDXSALSA-N 2 1 371.569 3.383 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CCCC1 ZINC000546062975 504695557 /nfs/dbraw/zinc/69/55/57/504695557.db2.gz IIESZYSEAIQXTQ-QGZVFWFLSA-N 2 1 351.922 3.181 20 0 FGADMP CCn1cc(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cn1 ZINC000539825142 504704142 /nfs/dbraw/zinc/70/41/42/504704142.db2.gz PSFCLSRUKDKRJJ-UHFFFAOYSA-N 2 1 355.530 3.065 20 0 FGADMP CCn1cc(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)cn1 ZINC000539825142 504704146 /nfs/dbraw/zinc/70/41/46/504704146.db2.gz PSFCLSRUKDKRJJ-UHFFFAOYSA-N 2 1 355.530 3.065 20 0 FGADMP CC(C)COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000539824822 504704399 /nfs/dbraw/zinc/70/43/99/504704399.db2.gz LAFVNNYHENKOPS-OAQYLSRUSA-N 2 1 359.558 3.322 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000539851600 504717661 /nfs/dbraw/zinc/71/76/61/504717661.db2.gz VNBUZSJATWWNMS-KRWDZBQOSA-N 2 1 360.477 3.149 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C/C=C\c2ccc(F)cc2)c2cccs2)CC1 ZINC000532671660 504731615 /nfs/dbraw/zinc/73/16/15/504731615.db2.gz VQEUHVJKIHOMOJ-VSERLBFKSA-N 2 1 359.514 3.479 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236039 504733695 /nfs/dbraw/zinc/73/36/95/504733695.db2.gz VFRHGIXKXWNWPT-FDTGPBLFSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236039 504733701 /nfs/dbraw/zinc/73/37/01/504733701.db2.gz VFRHGIXKXWNWPT-FDTGPBLFSA-N 2 1 350.506 3.405 20 0 FGADMP CC(C)[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C1CC1 ZINC000521429849 504735965 /nfs/dbraw/zinc/73/59/65/504735965.db2.gz DZKZAJQKKCJENY-UHFFFAOYSA-N 2 1 365.521 3.357 20 0 FGADMP CC(C)[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C1CC1 ZINC000521429849 504735970 /nfs/dbraw/zinc/73/59/70/504735970.db2.gz DZKZAJQKKCJENY-UHFFFAOYSA-N 2 1 365.521 3.357 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000521509654 504750068 /nfs/dbraw/zinc/75/00/68/504750068.db2.gz SFKMXDUCFWCVRC-OAQYLSRUSA-N 2 1 374.573 3.360 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000565026621 504774045 /nfs/dbraw/zinc/77/40/45/504774045.db2.gz VSIVAAWPPNWTNL-KDOFPFPSSA-N 2 1 351.922 3.131 20 0 FGADMP CCc1oc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1C(=O)OC ZINC000549403721 504811694 /nfs/dbraw/zinc/81/16/94/504811694.db2.gz NLBPNSDHNZKXJR-IYBDPMFKSA-N 2 1 350.503 3.476 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000565227828 504830672 /nfs/dbraw/zinc/83/06/72/504830672.db2.gz BXJNGPDZCLPBIB-KRWDZBQOSA-N 2 1 374.554 3.268 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC000562477814 504832587 /nfs/dbraw/zinc/83/25/87/504832587.db2.gz PWPSSUGJIBNMGX-YADHBBJMSA-N 2 1 351.494 3.162 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[C@@H](c4ccncc4)C3)C2)cc1 ZINC000562477814 504832588 /nfs/dbraw/zinc/83/25/88/504832588.db2.gz PWPSSUGJIBNMGX-YADHBBJMSA-N 2 1 351.494 3.162 20 0 FGADMP Fc1cccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)co2)c1 ZINC000549583500 504854366 /nfs/dbraw/zinc/85/43/66/504854366.db2.gz SQTFQEMQWHSPFU-UHFFFAOYSA-N 2 1 373.472 3.415 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556387851 504861516 /nfs/dbraw/zinc/86/15/16/504861516.db2.gz VQGHWWZZWPRIAP-AWEZNQCLSA-N 2 1 358.267 3.113 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CC(C)C1 ZINC000553326606 504884672 /nfs/dbraw/zinc/88/46/72/504884672.db2.gz NPFPKYVUFDHSDT-SCTDSRPQSA-N 2 1 357.542 3.121 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553328960 504885350 /nfs/dbraw/zinc/88/53/50/504885350.db2.gz PFYDYGBOSIQVPJ-KCZVDYSFSA-N 2 1 371.569 3.383 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CC(C)(C)C1CC1 ZINC000556547383 504902043 /nfs/dbraw/zinc/90/20/43/504902043.db2.gz PKPGAWWOHRIWLI-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000553492678 504931374 /nfs/dbraw/zinc/93/13/74/504931374.db2.gz GXPZZGKDLYSTGU-GCJKJVERSA-N 2 1 369.553 3.402 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562818918 504956210 /nfs/dbraw/zinc/95/62/10/504956210.db2.gz TYRPIBSVNGOISH-CEWLAPEOSA-N 2 1 372.557 3.200 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000556762266 504966348 /nfs/dbraw/zinc/96/63/48/504966348.db2.gz WCCMJAUSMGQFKA-IBGZPJMESA-N 2 1 353.466 3.107 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1cccc2ccccc21 ZINC000556762266 504966350 /nfs/dbraw/zinc/96/63/50/504966350.db2.gz WCCMJAUSMGQFKA-IBGZPJMESA-N 2 1 353.466 3.107 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238380 504999917 /nfs/dbraw/zinc/99/99/17/504999917.db2.gz CYFLTURBGBUFRW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238380 504999920 /nfs/dbraw/zinc/99/99/20/504999920.db2.gz CYFLTURBGBUFRW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238380 504999922 /nfs/dbraw/zinc/99/99/22/504999922.db2.gz CYFLTURBGBUFRW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238380 504999925 /nfs/dbraw/zinc/99/99/25/504999925.db2.gz CYFLTURBGBUFRW-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565909277 505023503 /nfs/dbraw/zinc/02/35/03/505023503.db2.gz DYMSCEYBNFZYKJ-ICSRJNTNSA-N 2 1 367.484 3.337 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565909277 505023508 /nfs/dbraw/zinc/02/35/08/505023508.db2.gz DYMSCEYBNFZYKJ-ICSRJNTNSA-N 2 1 367.484 3.337 20 0 FGADMP C[C@@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000563046634 505032550 /nfs/dbraw/zinc/03/25/50/505032550.db2.gz CDBJQLSIYQJFCF-RBBKRZOGSA-N 2 1 371.569 3.179 20 0 FGADMP CCn1c2ccc(F)cc2nc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000550392905 505033087 /nfs/dbraw/zinc/03/30/87/505033087.db2.gz HKMOSDDJIWRNSO-JWTNVVGKSA-N 2 1 374.504 3.269 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC000566026531 505058744 /nfs/dbraw/zinc/05/87/44/505058744.db2.gz UOBMRGXDXAPUDN-INIZCTEOSA-N 2 1 371.550 3.029 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000566026531 505058746 /nfs/dbraw/zinc/05/87/46/505058746.db2.gz UOBMRGXDXAPUDN-INIZCTEOSA-N 2 1 371.550 3.029 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000566058885 505068797 /nfs/dbraw/zinc/06/87/97/505068797.db2.gz GHHUGSPBLZSFRU-NHCUHLMSSA-N 2 1 351.494 3.014 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000566058885 505068799 /nfs/dbraw/zinc/06/87/99/505068799.db2.gz GHHUGSPBLZSFRU-NHCUHLMSSA-N 2 1 351.494 3.014 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550794962 505102838 /nfs/dbraw/zinc/10/28/38/505102838.db2.gz NOLKTQHHVWNMCZ-YUVXSKOASA-N 2 1 368.525 3.406 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550794962 505102842 /nfs/dbraw/zinc/10/28/42/505102842.db2.gz NOLKTQHHVWNMCZ-YUVXSKOASA-N 2 1 368.525 3.406 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550819512 505108588 /nfs/dbraw/zinc/10/85/88/505108588.db2.gz QXKMRJCYCXFTJN-BKSPAHHJSA-N 2 1 356.535 3.490 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550819512 505108592 /nfs/dbraw/zinc/10/85/92/505108592.db2.gz QXKMRJCYCXFTJN-BKSPAHHJSA-N 2 1 356.535 3.490 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563350826 505116909 /nfs/dbraw/zinc/11/69/09/505116909.db2.gz ROUIMHZNEHTAGT-WBMJQRKESA-N 2 1 363.303 3.255 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000563350826 505116915 /nfs/dbraw/zinc/11/69/15/505116915.db2.gz ROUIMHZNEHTAGT-WBMJQRKESA-N 2 1 363.303 3.255 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563350823 505117495 /nfs/dbraw/zinc/11/74/95/505117495.db2.gz ROUIMHZNEHTAGT-MLGOLLRUSA-N 2 1 363.303 3.255 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000563350823 505117497 /nfs/dbraw/zinc/11/74/97/505117497.db2.gz ROUIMHZNEHTAGT-MLGOLLRUSA-N 2 1 363.303 3.255 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566245356 505122761 /nfs/dbraw/zinc/12/27/61/505122761.db2.gz OEWBROHIMHHFCK-NJAFHUGGSA-N 2 1 363.933 3.181 20 0 FGADMP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560549826 505122720 /nfs/dbraw/zinc/12/27/20/505122720.db2.gz ZIGDSWIECDCELN-BAGYTPMASA-N 2 1 352.526 3.243 20 0 FGADMP C[NH+](C)C[C@@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000554372498 505157764 /nfs/dbraw/zinc/15/77/64/505157764.db2.gz MKHKWNLBZFGZLH-OAQYLSRUSA-N 2 1 356.489 3.078 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000563618138 505193917 /nfs/dbraw/zinc/19/39/17/505193917.db2.gz NUHVYGDGHTWLFJ-ZJOUEHCJSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000563618138 505193923 /nfs/dbraw/zinc/19/39/23/505193923.db2.gz NUHVYGDGHTWLFJ-ZJOUEHCJSA-N 2 1 374.550 3.298 20 0 FGADMP CC(C)CN(C(=O)CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000563658160 505203779 /nfs/dbraw/zinc/20/37/79/505203779.db2.gz UQMDPASJKRYTKP-SFTDATJTSA-N 2 1 369.553 3.087 20 0 FGADMP CN(c1ccccc1C[N@@H+]1C[C@]2(CCCO2)[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696890 505214764 /nfs/dbraw/zinc/21/47/64/505214764.db2.gz KVFULSSBBOHRGY-DHIUTWEWSA-N 2 1 369.553 3.360 20 0 FGADMP CN(c1ccccc1C[N@H+]1C[C@]2(CCCO2)[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696890 505214765 /nfs/dbraw/zinc/21/47/65/505214765.db2.gz KVFULSSBBOHRGY-DHIUTWEWSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000561131324 505258531 /nfs/dbraw/zinc/25/85/31/505258531.db2.gz BEWQAFFYNHJNQO-UWJYYQICSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012326 505285574 /nfs/dbraw/zinc/28/55/74/505285574.db2.gz POFWCCPBWPXZQZ-NNMXDRDESA-N 2 1 369.553 3.475 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@@H]1c1cccs1 ZINC000563955556 505288100 /nfs/dbraw/zinc/28/81/00/505288100.db2.gz KURLHIJFSBSCJB-YVWKXTFCSA-N 2 1 369.534 3.134 20 0 FGADMP C[N@@H+]1CC[C@H](Nc2cc(N3CCCC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000561238369 505289636 /nfs/dbraw/zinc/28/96/36/505289636.db2.gz PWGDTHVUZBLFDN-QFBILLFUSA-N 2 1 359.424 3.212 20 0 FGADMP C[N@H+]1CC[C@H](Nc2cc(N3CCCC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000561238369 505289640 /nfs/dbraw/zinc/28/96/40/505289640.db2.gz PWGDTHVUZBLFDN-QFBILLFUSA-N 2 1 359.424 3.212 20 0 FGADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000563990712 505296900 /nfs/dbraw/zinc/29/69/00/505296900.db2.gz ZRGSPTCFJWITRE-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000563990712 505296903 /nfs/dbraw/zinc/29/69/03/505296903.db2.gz ZRGSPTCFJWITRE-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000563990712 505296906 /nfs/dbraw/zinc/29/69/06/505296906.db2.gz ZRGSPTCFJWITRE-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[C@@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000563990712 505296909 /nfs/dbraw/zinc/29/69/09/505296909.db2.gz ZRGSPTCFJWITRE-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1C ZINC000566941624 505317437 /nfs/dbraw/zinc/31/74/37/505317437.db2.gz NOAPDLXJXWLXOZ-LFUKPOHLSA-N 2 1 369.509 3.058 20 0 FGADMP CC[C@@H](c1ccccc1OC)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000558178897 505328377 /nfs/dbraw/zinc/32/83/77/505328377.db2.gz BUZSRODLWQHBTG-IBGZPJMESA-N 2 1 361.530 3.067 20 0 FGADMP CC[C@@H](c1ccccc1OC)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000558178897 505328381 /nfs/dbraw/zinc/32/83/81/505328381.db2.gz BUZSRODLWQHBTG-IBGZPJMESA-N 2 1 361.530 3.067 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1sccc1Br ZINC000564134005 505333649 /nfs/dbraw/zinc/33/36/49/505333649.db2.gz AWXKFNDVJAZSEP-UHFFFAOYSA-N 2 1 370.316 3.136 20 0 FGADMP C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558403972 505378447 /nfs/dbraw/zinc/37/84/47/505378447.db2.gz UNUWUNFTHDOATE-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057267 505384794 /nfs/dbraw/zinc/38/47/94/505384794.db2.gz MJODSTSKHHJPOR-AEFFLSMTSA-N 2 1 365.477 3.190 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000561591151 505385465 /nfs/dbraw/zinc/38/54/65/505385465.db2.gz PWFDUTMMUKRAFM-NQIIRXRSSA-N 2 1 372.557 3.261 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637478 505396833 /nfs/dbraw/zinc/39/68/33/505396833.db2.gz FBYRPQQVOUZTOM-QAPCUYQASA-N 2 1 368.953 3.362 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000567242391 505405659 /nfs/dbraw/zinc/40/56/59/505405659.db2.gz SXXRFTVFTBMWLU-QRVBRYPASA-N 2 1 358.530 3.217 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@@H](C)C1 ZINC000561760216 505428672 /nfs/dbraw/zinc/42/86/72/505428672.db2.gz APUODCFWEVSKLP-FCEWJHQRSA-N 2 1 369.509 3.297 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000558735329 505478302 /nfs/dbraw/zinc/47/83/02/505478302.db2.gz LYKXMZCHLUOEJZ-HXUWFJFHSA-N 2 1 357.542 3.326 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NC1CCCC1 ZINC000558735329 505478304 /nfs/dbraw/zinc/47/83/04/505478304.db2.gz LYKXMZCHLUOEJZ-HXUWFJFHSA-N 2 1 357.542 3.326 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564644682 505481293 /nfs/dbraw/zinc/48/12/93/505481293.db2.gz VEOQTYCTHHNPLL-NJDAHSKKSA-N 2 1 372.557 3.105 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)c3ccccc3)CC2)CC1 ZINC000567517348 505486528 /nfs/dbraw/zinc/48/65/28/505486528.db2.gz ZLTNPBSLNVLZRS-SFHVURJKSA-N 2 1 357.542 3.103 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H]2CCC[C@H]21 ZINC000567532281 505490854 /nfs/dbraw/zinc/49/08/54/505490854.db2.gz RQSDHJFKDXVQJS-SVFBPWRDSA-N 2 1 364.493 3.296 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855220 505540444 /nfs/dbraw/zinc/54/04/44/505540444.db2.gz DPSROQBLNNOAHG-ZFWWWQNUSA-N 2 1 361.313 3.055 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562240397 505549661 /nfs/dbraw/zinc/54/96/61/505549661.db2.gz DEDNJFKWIZORMR-CTNGQTDRSA-N 2 1 374.573 3.318 20 0 FGADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567732209 505551386 /nfs/dbraw/zinc/55/13/86/505551386.db2.gz ZBCBTIZLEPWIFT-HOCLYGCPSA-N 2 1 350.532 3.365 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cccc(Cl)c1 ZINC000599292609 506398248 /nfs/dbraw/zinc/39/82/48/506398248.db2.gz PDPIKHNKHCAZRD-RTBURBONSA-N 2 1 359.901 3.362 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000582753557 506399570 /nfs/dbraw/zinc/39/95/70/506399570.db2.gz IRIHMESBOVJRQO-UNMCSNQZSA-N 2 1 372.484 3.163 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000582753557 506399580 /nfs/dbraw/zinc/39/95/80/506399580.db2.gz IRIHMESBOVJRQO-UNMCSNQZSA-N 2 1 372.484 3.163 20 0 FGADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000582774535 506413219 /nfs/dbraw/zinc/41/32/19/506413219.db2.gz OZVCTWYBVUYQJA-OPYAIIAOSA-N 2 1 372.557 3.106 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000582958698 506509003 /nfs/dbraw/zinc/50/90/03/506509003.db2.gz SFFMGTZKZASVOS-FVQBIDKESA-N 2 1 355.404 3.060 20 0 FGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596649168 506509877 /nfs/dbraw/zinc/50/98/77/506509877.db2.gz CCZMBULWJIPETG-ZANVPECISA-N 2 1 364.658 3.162 20 0 FGADMP Brc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517257 506539497 /nfs/dbraw/zinc/53/94/97/506539497.db2.gz LGSSWDGARQIYRK-KRWDZBQOSA-N 2 1 353.304 3.182 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000583028651 506548463 /nfs/dbraw/zinc/54/84/63/506548463.db2.gz RJYPAACCUJLAOM-NLWGTHIKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583028651 506548468 /nfs/dbraw/zinc/54/84/68/506548468.db2.gz RJYPAACCUJLAOM-NLWGTHIKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583028651 506548472 /nfs/dbraw/zinc/54/84/72/506548472.db2.gz RJYPAACCUJLAOM-NLWGTHIKSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000583028652 506548609 /nfs/dbraw/zinc/54/86/09/506548609.db2.gz RJYPAACCUJLAOM-NSHGMRRFSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583028652 506548611 /nfs/dbraw/zinc/54/86/11/506548611.db2.gz RJYPAACCUJLAOM-NSHGMRRFSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000583028652 506548615 /nfs/dbraw/zinc/54/86/15/506548615.db2.gz RJYPAACCUJLAOM-NSHGMRRFSA-N 2 1 360.546 3.067 20 0 FGADMP c1nc2ccc(C[NH2+]CCCC[NH+]3CCN(c4ccccc4)CC3)cc2[nH]1 ZINC000589645073 506619911 /nfs/dbraw/zinc/61/99/11/506619911.db2.gz UFLNQRDAHWDZAD-UHFFFAOYSA-N 2 1 363.509 3.255 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635035 506641974 /nfs/dbraw/zinc/64/19/74/506641974.db2.gz ZZYCTQXTQLFNIV-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635035 506641983 /nfs/dbraw/zinc/64/19/83/506641983.db2.gz ZZYCTQXTQLFNIV-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000583197694 506645132 /nfs/dbraw/zinc/64/51/32/506645132.db2.gz COBRWHNJIZWGIX-MSEOUXRUSA-N 2 1 369.553 3.311 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000583230571 506662101 /nfs/dbraw/zinc/66/21/01/506662101.db2.gz AKVZESJCDJBAIC-HXUWFJFHSA-N 2 1 374.525 3.019 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000583255269 506679984 /nfs/dbraw/zinc/67/99/84/506679984.db2.gz TZQOQGVKRIDONK-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP Fc1cccc(-n2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)c1 ZINC000608750927 506695391 /nfs/dbraw/zinc/69/53/91/506695391.db2.gz QLUIKQFZFHROFB-UHFFFAOYSA-N 2 1 372.488 3.088 20 0 FGADMP CC[NH+](Cc1cccc(C[N@@H+](CC)C[C@@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000604052045 506698199 /nfs/dbraw/zinc/69/81/99/506698199.db2.gz DVICPEWTZNYMJT-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP O[C@]1(C[NH2+]CCc2ccc(F)cc2Cl)CC[N@H+](Cc2ccccc2)C1 ZINC000583328020 506718432 /nfs/dbraw/zinc/71/84/32/506718432.db2.gz OYWHVPQIUSKHAV-FQEVSTJZSA-N 2 1 362.876 3.248 20 0 FGADMP O[C@]1(C[NH2+]CCc2ccc(F)cc2Cl)CC[N@@H+](Cc2ccccc2)C1 ZINC000583328020 506718436 /nfs/dbraw/zinc/71/84/36/506718436.db2.gz OYWHVPQIUSKHAV-FQEVSTJZSA-N 2 1 362.876 3.248 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782091 506941655 /nfs/dbraw/zinc/94/16/55/506941655.db2.gz FPXVZMWLHQCZNY-YZGWKJHDSA-N 2 1 374.573 3.488 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786697 506957124 /nfs/dbraw/zinc/95/71/24/506957124.db2.gz JXODNNILUGRYFJ-QGZVFWFLSA-N 2 1 361.530 3.465 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786697 506957128 /nfs/dbraw/zinc/95/71/28/506957128.db2.gz JXODNNILUGRYFJ-QGZVFWFLSA-N 2 1 361.530 3.465 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000600449149 506958806 /nfs/dbraw/zinc/95/88/06/506958806.db2.gz MLJJVXSCYWZUEV-IBGZPJMESA-N 2 1 361.530 3.011 20 0 FGADMP CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000613383691 507061293 /nfs/dbraw/zinc/06/12/93/507061293.db2.gz ICXBRJGGHMNPQF-QWFCFKBJSA-N 2 1 374.569 3.291 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000605182368 507103760 /nfs/dbraw/zinc/10/37/60/507103760.db2.gz OCQLHVBBIIRLFY-IBGZPJMESA-N 2 1 371.569 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000605182368 507103769 /nfs/dbraw/zinc/10/37/69/507103769.db2.gz OCQLHVBBIIRLFY-IBGZPJMESA-N 2 1 371.569 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605182368 507103775 /nfs/dbraw/zinc/10/37/75/507103775.db2.gz OCQLHVBBIIRLFY-IBGZPJMESA-N 2 1 371.569 3.404 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097764 507113739 /nfs/dbraw/zinc/11/37/39/507113739.db2.gz FIAFBIYZLJEKHK-WOJBJXKFSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584053918 507126460 /nfs/dbraw/zinc/12/64/60/507126460.db2.gz PQQOGRYUAVQRJT-WNCDQNTKSA-N 2 1 356.297 3.380 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584053918 507126466 /nfs/dbraw/zinc/12/64/66/507126466.db2.gz PQQOGRYUAVQRJT-WNCDQNTKSA-N 2 1 356.297 3.380 20 0 FGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000591161526 507138587 /nfs/dbraw/zinc/13/85/87/507138587.db2.gz JUJQULIVGISMSL-HXUWFJFHSA-N 2 1 354.498 3.307 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(Br)cs1 ZINC000584089476 507146215 /nfs/dbraw/zinc/14/62/15/507146215.db2.gz PUHDTEVGBJMLAA-CYBMUJFWSA-N 2 1 360.365 3.189 20 0 FGADMP Fc1ccccc1CSCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594491210 507152808 /nfs/dbraw/zinc/15/28/08/507152808.db2.gz ZZCRFONHFQZGBK-GOSISDBHSA-N 2 1 352.519 3.292 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887426 507162534 /nfs/dbraw/zinc/16/25/34/507162534.db2.gz KIOWWDJOXJGVEP-AZUAARDMSA-N 2 1 374.573 3.489 20 0 FGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc(C)c1OC(F)F ZINC000584199338 507207334 /nfs/dbraw/zinc/20/73/34/507207334.db2.gz BWQPKPAGXGJUCM-UHFFFAOYSA-N 2 1 369.500 3.363 20 0 FGADMP C[C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000601016922 507228822 /nfs/dbraw/zinc/22/88/22/507228822.db2.gz URTLNWRCALQRNX-OALUTQOASA-N 2 1 365.521 3.070 20 0 FGADMP C[C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000601016922 507228826 /nfs/dbraw/zinc/22/88/26/507228826.db2.gz URTLNWRCALQRNX-OALUTQOASA-N 2 1 365.521 3.070 20 0 FGADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000601016922 507228834 /nfs/dbraw/zinc/22/88/34/507228834.db2.gz URTLNWRCALQRNX-OALUTQOASA-N 2 1 365.521 3.070 20 0 FGADMP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000601016922 507228840 /nfs/dbraw/zinc/22/88/40/507228840.db2.gz URTLNWRCALQRNX-OALUTQOASA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591430854 507247898 /nfs/dbraw/zinc/24/78/98/507247898.db2.gz VRZGAMGCFWQSFV-RBUKOAKNSA-N 2 1 373.541 3.154 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734549 507260159 /nfs/dbraw/zinc/26/01/59/507260159.db2.gz AYCVBVNWGGDZBU-INIZCTEOSA-N 2 1 350.890 3.338 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1Cl ZINC000591546029 507284990 /nfs/dbraw/zinc/28/49/90/507284990.db2.gz UBJKPACODNVBQR-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1Cl ZINC000591546029 507284993 /nfs/dbraw/zinc/28/49/93/507284993.db2.gz UBJKPACODNVBQR-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594870342 507301159 /nfs/dbraw/zinc/30/11/59/507301159.db2.gz ZBZYTGILJNADFI-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594870342 507301168 /nfs/dbraw/zinc/30/11/68/507301168.db2.gz ZBZYTGILJNADFI-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594870342 507301176 /nfs/dbraw/zinc/30/11/76/507301176.db2.gz ZBZYTGILJNADFI-OALUTQOASA-N 2 1 373.541 3.011 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)CSCCF)cc2)CC1 ZINC000595012538 507354228 /nfs/dbraw/zinc/35/42/28/507354228.db2.gz PPCOLXAPFNSWEN-KRWDZBQOSA-N 2 1 353.551 3.005 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606635577 507460266 /nfs/dbraw/zinc/46/02/66/507460266.db2.gz NHPWNJHTRQKDFF-KRWDZBQOSA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000606677206 507478074 /nfs/dbraw/zinc/47/80/74/507478074.db2.gz MWVWBJOKZYCYCT-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606937381 507561549 /nfs/dbraw/zinc/56/15/49/507561549.db2.gz YCOVNYINMFVDAG-LSDHHAIUSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606937381 507561551 /nfs/dbraw/zinc/56/15/51/507561551.db2.gz YCOVNYINMFVDAG-LSDHHAIUSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000607088671 507608516 /nfs/dbraw/zinc/60/85/16/507608516.db2.gz NWFSZSFGRIISCT-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000595657234 507618132 /nfs/dbraw/zinc/61/81/32/507618132.db2.gz CLCQGEJWLSXOQD-PMACEKPBSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000607143539 507629890 /nfs/dbraw/zinc/62/98/90/507629890.db2.gz UTUCACDODAABLS-IRXDYDNUSA-N 2 1 353.514 3.055 20 0 FGADMP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490838 507678529 /nfs/dbraw/zinc/67/85/29/507678529.db2.gz PBEWEQQNXBGNKD-AZUAARDMSA-N 2 1 364.578 3.059 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]c1 ZINC000480512978 514983864 /nfs/dbraw/zinc/98/38/64/514983864.db2.gz CGNCXLCAWDQOAP-YLJYHZDGSA-N 2 1 369.513 3.183 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669117896 568037403 /nfs/dbraw/zinc/03/74/03/568037403.db2.gz VCWYXVLZLZKOFI-KRWDZBQOSA-N 2 1 358.530 3.084 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399392 599315919 /nfs/dbraw/zinc/31/59/19/599315919.db2.gz JKYRDWCWWYAADV-HOTGVXAUSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399392 599315921 /nfs/dbraw/zinc/31/59/21/599315921.db2.gz JKYRDWCWWYAADV-HOTGVXAUSA-N 2 1 363.469 3.065 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453900 599319409 /nfs/dbraw/zinc/31/94/09/599319409.db2.gz SBHHPMAZZOYRQL-INIZCTEOSA-N 2 1 356.518 3.372 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000821623124 599448166 /nfs/dbraw/zinc/44/81/66/599448166.db2.gz DFYVPFOBBRAPPZ-FUHWJXTLSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000821623124 599448167 /nfs/dbraw/zinc/44/81/67/599448167.db2.gz DFYVPFOBBRAPPZ-FUHWJXTLSA-N 2 1 368.510 3.101 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820413451 607085911 /nfs/dbraw/zinc/08/59/11/607085911.db2.gz QIBNCZBMZMQFJJ-INIZCTEOSA-N 2 1 362.481 3.182 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000824894563 608362685 /nfs/dbraw/zinc/36/26/85/608362685.db2.gz YSWBLWYELVFXLT-YJBOKZPZSA-N 2 1 362.481 3.106 20 0 FGADMP c1ccc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519340 608363503 /nfs/dbraw/zinc/36/35/03/608363503.db2.gz UVPCEXMIMOQBER-RTBURBONSA-N 2 1 374.492 3.250 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000076003267 700221478 /nfs/dbraw/zinc/22/14/78/700221478.db2.gz WYWCTIUUEKDEIK-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CCCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000089884419 700397276 /nfs/dbraw/zinc/39/72/76/700397276.db2.gz IOLBKCMHKSNEHL-UHFFFAOYSA-N 2 1 355.448 3.309 20 0 FGADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc2c1cccc2Br ZINC000117863740 700606213 /nfs/dbraw/zinc/60/62/13/700606213.db2.gz CHLKQRSUYRVCIR-UHFFFAOYSA-N 2 1 351.292 3.030 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2csc(-c3ccccn3)n2)C[C@H](C)O1 ZINC000126818829 700753374 /nfs/dbraw/zinc/75/33/74/700753374.db2.gz WIEORALEXQGZKP-IYBDPMFKSA-N 2 1 360.527 3.184 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000132757384 700831072 /nfs/dbraw/zinc/83/10/72/700831072.db2.gz LILZTEXHEZZHQL-OAHLLOKOSA-N 2 1 350.507 3.064 20 0 FGADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000133112633 700835151 /nfs/dbraw/zinc/83/51/51/700835151.db2.gz ZHQLHVGZYNZJDF-XJKSGUPXSA-N 2 1 354.926 3.408 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000136383493 704861001 /nfs/dbraw/zinc/86/10/01/704861001.db2.gz OKLJJBYLHLBBAJ-UHFFFAOYSA-N 2 1 350.507 3.161 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000173339666 705454303 /nfs/dbraw/zinc/45/43/03/705454303.db2.gz DJWLNXPIRFJNKH-MAUKXSAKSA-N 2 1 351.535 3.286 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271556264 713753232 /nfs/dbraw/zinc/75/32/32/713753232.db2.gz VVVSKRXCSVMADV-KZNAEPCWSA-N 2 1 350.503 3.330 20 0 FGADMP CO[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccc(Cl)cc1 ZINC000374783609 713943699 /nfs/dbraw/zinc/94/36/99/713943699.db2.gz WUURDEDCHYYZGR-VQTJNVASSA-N 2 1 365.949 3.128 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000641954389 717940720 /nfs/dbraw/zinc/94/07/20/717940720.db2.gz AUUNGECNJNRABZ-KRWDZBQOSA-N 2 1 352.567 3.203 20 0 FGADMP CC(C)[C@@H](C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)[NH+](C)C ZINC000617866187 714698055 /nfs/dbraw/zinc/69/80/55/714698055.db2.gz CSQNOAFOPYEEMV-KRWDZBQOSA-N 2 1 360.527 3.415 20 0 FGADMP [NH3+][C@]12CCC[C@H]1C[N@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003766 715046726 /nfs/dbraw/zinc/04/67/26/715046726.db2.gz FNZJHFARRXICQT-YOEHRIQHSA-N 2 1 350.388 3.204 20 0 FGADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003766 715046728 /nfs/dbraw/zinc/04/67/28/715046728.db2.gz FNZJHFARRXICQT-YOEHRIQHSA-N 2 1 350.388 3.204 20 0 FGADMP [NH3+]CCC[C@H]([NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21)c1ccccc1 ZINC000643543755 718038780 /nfs/dbraw/zinc/03/87/80/718038780.db2.gz KPUCHQRDHDNLEC-ZWKOTPCHSA-N 2 1 362.470 3.114 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414995 715331147 /nfs/dbraw/zinc/33/11/47/715331147.db2.gz WVPZCSFFYPKYOB-CABCVRRESA-N 2 1 366.347 3.490 20 0 FGADMP C[N@H+](Cc1csc(C(F)(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278970 716134773 /nfs/dbraw/zinc/13/47/73/716134773.db2.gz OLYXXJHLHMHZOV-OAHLLOKOSA-N 2 1 361.477 3.367 20 0 FGADMP C[N@@H+](Cc1csc(C(F)(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278970 716134774 /nfs/dbraw/zinc/13/47/74/716134774.db2.gz OLYXXJHLHMHZOV-OAHLLOKOSA-N 2 1 361.477 3.367 20 0 FGADMP COc1cc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)cc1Br ZINC000631152225 716575771 /nfs/dbraw/zinc/57/57/71/716575771.db2.gz NSYSPQQGMLCWGP-YHWZYXNKSA-N 2 1 357.267 3.312 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000638749113 717482170 /nfs/dbraw/zinc/48/21/70/717482170.db2.gz JIWNSEHVFYUYLS-DLBZAZTESA-N 2 1 372.340 3.433 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757096 717598715 /nfs/dbraw/zinc/59/87/15/717598715.db2.gz FGHAACLPUNQFGC-CQSZACIVSA-N 2 1 365.905 3.093 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc4cc(Br)ccc4[nH]3)C2)CC1 ZINC000639757483 717598996 /nfs/dbraw/zinc/59/89/96/717598996.db2.gz MUTVKWJRWRDMAX-UHFFFAOYSA-N 2 1 363.303 3.243 20 0 FGADMP C[NH+]1CCC2(CC[N@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)CC1 ZINC000639757483 717599002 /nfs/dbraw/zinc/59/90/02/717599002.db2.gz MUTVKWJRWRDMAX-UHFFFAOYSA-N 2 1 363.303 3.243 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc4ccc(Br)cc4[nH]3)C2)CC1 ZINC000639757483 717599005 /nfs/dbraw/zinc/59/90/05/717599005.db2.gz MUTVKWJRWRDMAX-UHFFFAOYSA-N 2 1 363.303 3.243 20 0 FGADMP C[C@H](c1ncc(Br)cn1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534907 717761304 /nfs/dbraw/zinc/76/13/04/717761304.db2.gz XEUHMOLQONOURP-CQSZACIVSA-N 2 1 355.324 3.498 20 0 FGADMP C[C@H](c1ncc(Br)cn1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534907 717761309 /nfs/dbraw/zinc/76/13/09/717761309.db2.gz XEUHMOLQONOURP-CQSZACIVSA-N 2 1 355.324 3.498 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000644424120 718110944 /nfs/dbraw/zinc/11/09/44/718110944.db2.gz UKSYHMDVFUFWAX-VDHUWJSZSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@](O)(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000644424120 718110950 /nfs/dbraw/zinc/11/09/50/718110950.db2.gz UKSYHMDVFUFWAX-VDHUWJSZSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521985 718117984 /nfs/dbraw/zinc/11/79/84/718117984.db2.gz MSIQOWWNUWTWOB-FUHWJXTLSA-N 2 1 354.922 3.181 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000644521961 718118011 /nfs/dbraw/zinc/11/80/11/718118011.db2.gz JTBOLNFMQLRTTI-SJORKVTESA-N 2 1 354.922 3.181 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000644611311 718132855 /nfs/dbraw/zinc/13/28/55/718132855.db2.gz CESYSAHGPFVSFZ-GOSISDBHSA-N 2 1 361.555 3.066 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000644611311 718132858 /nfs/dbraw/zinc/13/28/58/718132858.db2.gz CESYSAHGPFVSFZ-GOSISDBHSA-N 2 1 361.555 3.066 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Cl)c(Cl)c1 ZINC000644636736 718136863 /nfs/dbraw/zinc/13/68/63/718136863.db2.gz DMDBXJBDEKAGMA-YMAMQOFZSA-N 2 1 373.324 3.340 20 0 FGADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC[NH2+]CC1 ZINC000646496817 718289352 /nfs/dbraw/zinc/28/93/52/718289352.db2.gz GTFILLBDDWVFFG-UHFFFAOYSA-N 2 1 370.324 3.074 20 0 FGADMP Cc1nn2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544027 718366955 /nfs/dbraw/zinc/36/69/55/718366955.db2.gz VPGSLNZGUCOHGR-HZPDHXFCSA-N 2 1 361.559 3.434 20 0 FGADMP O=C(c1cccc(Cl)c1)N1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647881631 718383005 /nfs/dbraw/zinc/38/30/05/718383005.db2.gz VZDGOBLEPKNPBS-UHFFFAOYSA-N 2 1 363.933 3.268 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975698 718390857 /nfs/dbraw/zinc/39/08/57/718390857.db2.gz DTGHEKICNJICFB-KFWWJZLASA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975698 718390858 /nfs/dbraw/zinc/39/08/58/718390858.db2.gz DTGHEKICNJICFB-KFWWJZLASA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976245 718391168 /nfs/dbraw/zinc/39/11/68/718391168.db2.gz MBKBMYPIQZJHOE-JFIYKMOQSA-N 2 1 363.933 3.056 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977187 718391683 /nfs/dbraw/zinc/39/16/83/718391683.db2.gz YYASMCWWABRDNH-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977187 718391684 /nfs/dbraw/zinc/39/16/84/718391684.db2.gz YYASMCWWABRDNH-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000649347430 718506188 /nfs/dbraw/zinc/50/61/88/718506188.db2.gz WYSPCIWDEGADAR-BEFAXECRSA-N 2 1 359.901 3.367 20 0 FGADMP C[C@@H]1COCCC[N@@H+]1Cc1ccc(F)c(CN2CCCOC[C@@H]2C)c1 ZINC000649391553 718510659 /nfs/dbraw/zinc/51/06/59/718510659.db2.gz QOJUTXDCFQXQCR-SJORKVTESA-N 2 1 350.478 3.047 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706203 718717193 /nfs/dbraw/zinc/71/71/93/718717193.db2.gz GIQFWVDDIIZFOO-MGPQQGTHSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000650722692 718720784 /nfs/dbraw/zinc/72/07/84/718720784.db2.gz ZXYGJHPDYBWEGZ-IXDOHACOSA-N 2 1 353.304 3.310 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)s2)cn1 ZINC000650725337 718721589 /nfs/dbraw/zinc/72/15/89/718721589.db2.gz YPLXBKBLMPJAPE-NXHRZFHOSA-N 2 1 360.527 3.009 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1CCC[NH+](CC)C1)C1CCCCC1 ZINC000650846814 718734737 /nfs/dbraw/zinc/73/47/37/718734737.db2.gz BJFXDMYKFAPXLG-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@@H]1CCC[N@H+](CC)C1)C1CCCCC1 ZINC000650846814 718734739 /nfs/dbraw/zinc/73/47/39/718734739.db2.gz BJFXDMYKFAPXLG-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)C1CCCCC1 ZINC000650846814 718734742 /nfs/dbraw/zinc/73/47/42/718734742.db2.gz BJFXDMYKFAPXLG-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000652237804 718925745 /nfs/dbraw/zinc/92/57/45/718925745.db2.gz FPOKYPIVARAGFH-INIZCTEOSA-N 2 1 367.559 3.029 20 0 FGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000652237804 718925746 /nfs/dbraw/zinc/92/57/46/718925746.db2.gz FPOKYPIVARAGFH-INIZCTEOSA-N 2 1 367.559 3.029 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355299 718936446 /nfs/dbraw/zinc/93/64/46/718936446.db2.gz UDWFPOXTIBJOQF-IIDMSEBBSA-N 2 1 351.922 3.309 20 0 FGADMP Brc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655772246 719337393 /nfs/dbraw/zinc/33/73/93/719337393.db2.gz DRSNANBHTOBGBT-ZMXQLYDGSA-N 2 1 365.315 3.305 20 0 FGADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452288 719652525 /nfs/dbraw/zinc/65/25/25/719652525.db2.gz DTVUAUDBMYEQNS-OAHLLOKOSA-N 2 1 352.404 3.051 20 0 FGADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452288 719652531 /nfs/dbraw/zinc/65/25/31/719652531.db2.gz DTVUAUDBMYEQNS-OAHLLOKOSA-N 2 1 352.404 3.051 20 0 FGADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000781919974 724612737 /nfs/dbraw/zinc/61/27/37/724612737.db2.gz UDELBJLKNJMSQB-FXELSEDVSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000781919974 724612741 /nfs/dbraw/zinc/61/27/41/724612741.db2.gz UDELBJLKNJMSQB-FXELSEDVSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O ZINC000781919974 724612744 /nfs/dbraw/zinc/61/27/44/724612744.db2.gz UDELBJLKNJMSQB-FXELSEDVSA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc(F)cc(Br)c1 ZINC000657847995 719720932 /nfs/dbraw/zinc/72/09/32/719720932.db2.gz ZEZKXQSOMSYXKC-IAGOWNOFSA-N 2 1 373.310 3.332 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535382 720069990 /nfs/dbraw/zinc/06/99/90/720069990.db2.gz JCJQLKAIBLQZSC-DOTOQJQBSA-N 2 1 360.420 3.327 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535382 720069995 /nfs/dbraw/zinc/06/99/95/720069995.db2.gz JCJQLKAIBLQZSC-DOTOQJQBSA-N 2 1 360.420 3.327 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651896 720090314 /nfs/dbraw/zinc/09/03/14/720090314.db2.gz DQRBMGRXUOJICQ-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651896 720090318 /nfs/dbraw/zinc/09/03/18/720090318.db2.gz DQRBMGRXUOJICQ-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651896 720090323 /nfs/dbraw/zinc/09/03/23/720090323.db2.gz DQRBMGRXUOJICQ-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651896 720090327 /nfs/dbraw/zinc/09/03/27/720090327.db2.gz DQRBMGRXUOJICQ-KSSFIOAISA-N 2 1 373.324 3.151 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc(Br)c1)C2 ZINC000660656180 720092431 /nfs/dbraw/zinc/09/24/31/720092431.db2.gz QMBJYKWEELTNRQ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc(Br)c1)C2 ZINC000660656180 720092434 /nfs/dbraw/zinc/09/24/34/720092434.db2.gz QMBJYKWEELTNRQ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc(Br)c1)C2 ZINC000660656180 720092441 /nfs/dbraw/zinc/09/24/41/720092441.db2.gz QMBJYKWEELTNRQ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1cccc(Br)c1)C2 ZINC000660656180 720092445 /nfs/dbraw/zinc/09/24/45/720092445.db2.gz QMBJYKWEELTNRQ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP CC[NH+](CC)CCC[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CNC(=O)C1 ZINC000661576216 720279256 /nfs/dbraw/zinc/27/92/56/720279256.db2.gz QOMJAERAANMPHZ-QGZVFWFLSA-N 2 1 351.922 3.010 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297465 720411983 /nfs/dbraw/zinc/41/19/83/720411983.db2.gz QFKNKRQGGGOXDX-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP Cc1cccc2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164736897 720588169 /nfs/dbraw/zinc/58/81/69/720588169.db2.gz VKCHJWHJGADELB-UHFFFAOYSA-N 2 1 361.493 3.398 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000665291847 720751261 /nfs/dbraw/zinc/75/12/61/720751261.db2.gz MGYYFQKYTIEUEW-MRXNPFEDSA-N 2 1 354.376 3.147 20 0 FGADMP COc1cc[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164907001 721584584 /nfs/dbraw/zinc/58/45/84/721584584.db2.gz QGGHFSYNFZIQFY-LJQANCHMSA-N 2 1 374.435 3.223 20 0 FGADMP C[C@@](O)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115763 722420797 /nfs/dbraw/zinc/42/07/97/722420797.db2.gz NJDRXQRYJWWFDT-HUUCEWRRSA-N 2 1 366.374 3.047 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cn3ccc(=S)c4ccccc43)CC2)C1 ZINC000738210634 722529196 /nfs/dbraw/zinc/52/91/96/722529196.db2.gz CZBRMGNGWXGILK-KRWDZBQOSA-N 2 1 356.539 3.040 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\Sc1ccccc1 ZINC000750735139 722779511 /nfs/dbraw/zinc/77/95/11/722779511.db2.gz TXRYYUPQIHLPDC-XSVZSIDJSA-N 2 1 361.555 3.167 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000764928551 723460002 /nfs/dbraw/zinc/46/00/02/723460002.db2.gz ONLCDLYWVVAKQG-RBSFLKMASA-N 2 1 352.910 3.305 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000764928551 723460006 /nfs/dbraw/zinc/46/00/06/723460006.db2.gz ONLCDLYWVVAKQG-RBSFLKMASA-N 2 1 352.910 3.305 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000795019120 723556955 /nfs/dbraw/zinc/55/69/55/723556955.db2.gz TYONYTCMJYEIMO-HNNXBMFYSA-N 2 1 354.951 3.172 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000796283652 723630137 /nfs/dbraw/zinc/63/01/37/723630137.db2.gz UDAUAXHWLHTUOH-SFHVURJKSA-N 2 1 358.555 3.207 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000796283652 723630139 /nfs/dbraw/zinc/63/01/39/723630139.db2.gz UDAUAXHWLHTUOH-SFHVURJKSA-N 2 1 358.555 3.207 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)C1 ZINC000796570462 723644442 /nfs/dbraw/zinc/64/44/42/723644442.db2.gz JAFZUIBFTBWIHD-GUDVDZBRSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)C1 ZINC000796570462 723644444 /nfs/dbraw/zinc/64/44/44/723644444.db2.gz JAFZUIBFTBWIHD-GUDVDZBRSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)C1 ZINC000796570462 723644445 /nfs/dbraw/zinc/64/44/45/723644445.db2.gz JAFZUIBFTBWIHD-GUDVDZBRSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)C1 ZINC000796570462 723644447 /nfs/dbraw/zinc/64/44/47/723644447.db2.gz JAFZUIBFTBWIHD-GUDVDZBRSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)C1 ZINC000796570461 723644492 /nfs/dbraw/zinc/64/44/92/723644492.db2.gz JAFZUIBFTBWIHD-CEXWTWQISA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)C1 ZINC000796570461 723644494 /nfs/dbraw/zinc/64/44/94/723644494.db2.gz JAFZUIBFTBWIHD-CEXWTWQISA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000796570461 723644495 /nfs/dbraw/zinc/64/44/95/723644495.db2.gz JAFZUIBFTBWIHD-CEXWTWQISA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)C1 ZINC000796570461 723644508 /nfs/dbraw/zinc/64/45/08/723644508.db2.gz JAFZUIBFTBWIHD-CEXWTWQISA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000798187887 723911918 /nfs/dbraw/zinc/91/19/18/723911918.db2.gz VFDJZKMTQRRMMW-NUWOQIAWSA-N 2 1 351.535 3.285 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc3ccc(Br)cc3s2)CC1 ZINC000775018473 723952313 /nfs/dbraw/zinc/95/23/13/723952313.db2.gz YBIKORNMJOZZQP-UHFFFAOYSA-N 2 1 352.301 3.410 20 0 FGADMP CC[NH+](CC)CCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000800222603 724168464 /nfs/dbraw/zinc/16/84/64/724168464.db2.gz YZSHUCFYNFXAQL-UHFFFAOYSA-N 2 1 352.385 3.094 20 0 FGADMP Brc1ccc2c(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000785800911 724938002 /nfs/dbraw/zinc/93/80/02/724938002.db2.gz OEGSLFHVDAGUKF-KGLIPLIRSA-N 2 1 362.271 3.272 20 0 FGADMP Brc1ccc2c(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000785800911 724938003 /nfs/dbraw/zinc/93/80/03/724938003.db2.gz OEGSLFHVDAGUKF-KGLIPLIRSA-N 2 1 362.271 3.272 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788501612 725068335 /nfs/dbraw/zinc/06/83/35/725068335.db2.gz FWHZOMSWKXCOLO-MSOLQXFVSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]([NH2+]C[C@@H](C1CCCCC1)[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788538177 725071669 /nfs/dbraw/zinc/07/16/69/725071669.db2.gz FLLXFDFIHFXRTD-YJBOKZPZSA-N 2 1 353.551 3.342 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(Cc3ncc(C[NH+](C)C)s3)C2)CC1 ZINC000809557508 725247232 /nfs/dbraw/zinc/24/72/32/725247232.db2.gz SMQAUIWPGNARLS-KRWDZBQOSA-N 2 1 350.576 3.149 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535010 727172636 /nfs/dbraw/zinc/17/26/36/727172636.db2.gz CBUOFOAXBVPLHQ-DLBZAZTESA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)C[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642509 727184025 /nfs/dbraw/zinc/18/40/25/727184025.db2.gz BIVGEIGJSAWLSB-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642509 727184027 /nfs/dbraw/zinc/18/40/27/727184027.db2.gz BIVGEIGJSAWLSB-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642509 727184030 /nfs/dbraw/zinc/18/40/30/727184030.db2.gz BIVGEIGJSAWLSB-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642509 727184031 /nfs/dbraw/zinc/18/40/31/727184031.db2.gz BIVGEIGJSAWLSB-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000818966201 727331754 /nfs/dbraw/zinc/33/17/54/727331754.db2.gz OKDGYCKDHFCHQR-BLLLJJGKSA-N 2 1 357.376 3.049 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818989323 727335079 /nfs/dbraw/zinc/33/50/79/727335079.db2.gz LKFICAGFWSISDI-HNNXBMFYSA-N 2 1 372.694 3.105 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819100845 727347050 /nfs/dbraw/zinc/34/70/50/727347050.db2.gz JIGSFHAAPVAQOC-MRXNPFEDSA-N 2 1 352.276 3.057 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(Br)c1 ZINC000819278024 727363907 /nfs/dbraw/zinc/36/39/07/727363907.db2.gz KETSLSPGUAAXAV-JCYILVPMSA-N 2 1 353.304 3.089 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000824384193 729334884 /nfs/dbraw/zinc/33/48/84/729334884.db2.gz ZGKSZFDHZOXSDX-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824991888 729366862 /nfs/dbraw/zinc/36/68/62/729366862.db2.gz ATTDHHXVJFPTDT-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574111 729431948 /nfs/dbraw/zinc/43/19/48/729431948.db2.gz YAZLRDCONWFZEG-BBRMVZONSA-N 2 1 366.937 3.060 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000828054032 729439255 /nfs/dbraw/zinc/43/92/55/729439255.db2.gz NZURLDKFYSAVNH-INIZCTEOSA-N 2 1 366.937 3.055 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831480913 729645347 /nfs/dbraw/zinc/64/53/47/729645347.db2.gz JMBDHADBXTWNDN-KXBFYZLASA-N 2 1 369.912 3.497 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522429 729648932 /nfs/dbraw/zinc/64/89/32/729648932.db2.gz MGONBEUNVQKHGO-JENIJYKNSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522429 729648934 /nfs/dbraw/zinc/64/89/34/729648934.db2.gz MGONBEUNVQKHGO-JENIJYKNSA-N 2 1 367.896 3.247 20 0 FGADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108491 730586312 /nfs/dbraw/zinc/58/63/12/730586312.db2.gz OPGYIUNXWNCVTP-KVSKMBFKSA-N 2 1 359.539 3.369 20 0 FGADMP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108491 730586315 /nfs/dbraw/zinc/58/63/15/730586315.db2.gz OPGYIUNXWNCVTP-KVSKMBFKSA-N 2 1 359.539 3.369 20 0 FGADMP C[N@@H+](Cc1nc(-c2cc(Br)cs2)no1)C1CCC([NH3+])CC1 ZINC000843355089 730609736 /nfs/dbraw/zinc/60/97/36/730609736.db2.gz LSYXLAZAKNSGNX-UHFFFAOYSA-N 2 1 371.304 3.262 20 0 FGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(SC(F)F)cc1 ZINC000843363398 730611059 /nfs/dbraw/zinc/61/10/59/730611059.db2.gz BAYQGKIARVDVCK-UHFFFAOYSA-N 2 1 355.454 3.015 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000846856408 730988138 /nfs/dbraw/zinc/98/81/38/730988138.db2.gz GCODXDDDDFTNED-WBVHZDCISA-N 2 1 350.507 3.026 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016502 731007261 /nfs/dbraw/zinc/00/72/61/731007261.db2.gz ZBCTWMLCJONFSM-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000848032509 731123370 /nfs/dbraw/zinc/12/33/70/731123370.db2.gz ITNSYWARYNDGKA-GOSISDBHSA-N 2 1 363.933 3.277 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079414 731226680 /nfs/dbraw/zinc/22/66/80/731226680.db2.gz NISZKFBCUFVTSE-BBRMVZONSA-N 2 1 354.420 3.365 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084553 731662191 /nfs/dbraw/zinc/66/21/91/731662191.db2.gz QWXWFSAGZUIWDP-QZTJIDSGSA-N 2 1 351.535 3.098 20 0 FGADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)n1 ZINC000854233003 731806964 /nfs/dbraw/zinc/80/69/64/731806964.db2.gz WBSPVTMPFBXSPN-AWEZNQCLSA-N 2 1 366.437 3.123 20 0 FGADMP CCc1ncc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)s1 ZINC000856554405 732038153 /nfs/dbraw/zinc/03/81/53/732038153.db2.gz RJADESAPMSNQAP-KRWDZBQOSA-N 2 1 360.527 3.206 20 0 FGADMP CCc1ncc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)s1 ZINC000856554405 732038157 /nfs/dbraw/zinc/03/81/57/732038157.db2.gz RJADESAPMSNQAP-KRWDZBQOSA-N 2 1 360.527 3.206 20 0 FGADMP CCc1ncc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)CC)c3)C2)s1 ZINC000856554405 732038161 /nfs/dbraw/zinc/03/81/61/732038161.db2.gz RJADESAPMSNQAP-KRWDZBQOSA-N 2 1 360.527 3.206 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490990 732220205 /nfs/dbraw/zinc/22/02/05/732220205.db2.gz UTUVXMJTPJYWRN-KBPBESRZSA-N 2 1 360.470 3.065 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490990 732220207 /nfs/dbraw/zinc/22/02/07/732220207.db2.gz UTUVXMJTPJYWRN-KBPBESRZSA-N 2 1 360.470 3.065 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491478 732220223 /nfs/dbraw/zinc/22/02/23/732220223.db2.gz IRQHZLOKVRSARK-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500236 732220701 /nfs/dbraw/zinc/22/07/01/732220701.db2.gz YZGQURFCVAAJCH-IGKNDFSCSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862366685 732817490 /nfs/dbraw/zinc/81/74/90/732817490.db2.gz VQZZVRXUZYQYKR-VQHPVUNQSA-N 2 1 353.551 3.483 20 0 FGADMP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158492 735597175 /nfs/dbraw/zinc/59/71/75/735597175.db2.gz VPQMFBMADOQTHZ-VYDXJSESSA-N 2 1 350.507 3.287 20 0 FGADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158492 735597178 /nfs/dbraw/zinc/59/71/78/735597178.db2.gz VPQMFBMADOQTHZ-VYDXJSESSA-N 2 1 350.507 3.287 20 0 FGADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200914 735736874 /nfs/dbraw/zinc/73/68/74/735736874.db2.gz NOKDAWBFHWWZKY-CQSZACIVSA-N 2 1 353.495 3.168 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873227561 735740229 /nfs/dbraw/zinc/74/02/29/735740229.db2.gz JEYHGUZKKQUTFT-FZMZJTMJSA-N 2 1 358.795 3.299 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000873227561 735740232 /nfs/dbraw/zinc/74/02/32/735740232.db2.gz JEYHGUZKKQUTFT-FZMZJTMJSA-N 2 1 358.795 3.299 20 0 FGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876951918 736167029 /nfs/dbraw/zinc/16/70/29/736167029.db2.gz RLGSARGQHUDMFV-LFPIHBKWSA-N 2 1 350.403 3.388 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3N)c2)CCO1 ZINC000876970223 736169028 /nfs/dbraw/zinc/16/90/28/736169028.db2.gz LRMWWNVXHVRBNI-OAHLLOKOSA-N 2 1 359.901 3.433 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3N)c2)CCO1 ZINC000876970223 736169030 /nfs/dbraw/zinc/16/90/30/736169030.db2.gz LRMWWNVXHVRBNI-OAHLLOKOSA-N 2 1 359.901 3.433 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1Br ZINC000877577878 736687926 /nfs/dbraw/zinc/68/79/26/736687926.db2.gz MEDAYPGUJQCEPA-UHFFFAOYSA-N 2 1 369.303 3.200 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000877625499 736695974 /nfs/dbraw/zinc/69/59/74/736695974.db2.gz ZJNNPILKSYPZQX-JIZVJVNCSA-N 2 1 368.458 3.066 20 0 FGADMP COCC[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)CC1CC[NH+](C)CC1 ZINC000877664070 736701427 /nfs/dbraw/zinc/70/14/27/736701427.db2.gz GKORPLRPBJBOFX-UHFFFAOYSA-N 2 1 350.551 3.045 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000877690325 736705829 /nfs/dbraw/zinc/70/58/29/736705829.db2.gz QUYXVYAOIWBFGV-LPHOPBHVSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576872 737009719 /nfs/dbraw/zinc/00/97/19/737009719.db2.gz YOGXTOUKQFDDFE-SWLSCSKDSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576872 737009725 /nfs/dbraw/zinc/00/97/25/737009725.db2.gz YOGXTOUKQFDDFE-SWLSCSKDSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576872 737009731 /nfs/dbraw/zinc/00/97/31/737009731.db2.gz YOGXTOUKQFDDFE-SWLSCSKDSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576872 737009736 /nfs/dbraw/zinc/00/97/36/737009736.db2.gz YOGXTOUKQFDDFE-SWLSCSKDSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576872 737009743 /nfs/dbraw/zinc/00/97/43/737009743.db2.gz YOGXTOUKQFDDFE-SWLSCSKDSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574144 737009831 /nfs/dbraw/zinc/00/98/31/737009831.db2.gz ADYPNOMSIWSEPK-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574144 737009833 /nfs/dbraw/zinc/00/98/33/737009833.db2.gz ADYPNOMSIWSEPK-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574144 737009838 /nfs/dbraw/zinc/00/98/38/737009838.db2.gz ADYPNOMSIWSEPK-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000879574144 737009842 /nfs/dbraw/zinc/00/98/42/737009842.db2.gz ADYPNOMSIWSEPK-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP COC(=O)c1cnc(CC2CC[NH+](CCC[NH+]3CCCCC3)CC2)s1 ZINC000880273019 737145804 /nfs/dbraw/zinc/14/58/04/737145804.db2.gz CUUOXNKIPHAELG-UHFFFAOYSA-N 2 1 365.543 3.060 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)c1 ZINC000884014548 737625485 /nfs/dbraw/zinc/62/54/85/737625485.db2.gz PKTUQYHHRZQIKL-MRXNPFEDSA-N 2 1 351.372 3.453 20 0 FGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000884203136 737642654 /nfs/dbraw/zinc/64/26/54/737642654.db2.gz POVKDZPZRBNOQG-RDJZCZTQSA-N 2 1 351.560 3.086 20 0 FGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000884203135 737642692 /nfs/dbraw/zinc/64/26/92/737642692.db2.gz POVKDZPZRBNOQG-NVXWUHKLSA-N 2 1 351.560 3.086 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000894174080 742248845 /nfs/dbraw/zinc/24/88/45/742248845.db2.gz TZVSILHYKGKCNW-LBPRGKRZSA-N 2 1 356.388 3.066 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C(F)(F)F ZINC000894858416 742343684 /nfs/dbraw/zinc/34/36/84/742343684.db2.gz FPRDFLOVJZMSEK-QXSJWSMHSA-N 2 1 364.452 3.218 20 0 FGADMP Cn1c(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cnc1Cl ZINC000898519317 742804205 /nfs/dbraw/zinc/80/42/05/742804205.db2.gz ORQFZNSFYFWLFD-FGTMMUONSA-N 2 1 358.917 3.464 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900435707 743112303 /nfs/dbraw/zinc/11/23/03/743112303.db2.gz CTIGOYITTXOXNL-IEBWSBKVSA-N 2 1 359.539 3.191 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900435707 743112306 /nfs/dbraw/zinc/11/23/06/743112306.db2.gz CTIGOYITTXOXNL-IEBWSBKVSA-N 2 1 359.539 3.191 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3Br)C2)C1 ZINC000903461909 743853122 /nfs/dbraw/zinc/85/31/22/743853122.db2.gz ZZDNKCXDHWZIIY-JGGQBBKZSA-N 2 1 371.294 3.307 20 0 FGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756610 743881174 /nfs/dbraw/zinc/88/11/74/743881174.db2.gz UDQQIPXDIVBOCW-BPQIPLTHSA-N 2 1 354.416 3.263 20 0 FGADMP c1ccc2sc(C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C3CC3)nc2c1 ZINC000903786876 743883919 /nfs/dbraw/zinc/88/39/19/743883919.db2.gz PZPHVJVEPZCUQW-MRXNPFEDSA-N 2 1 357.523 3.419 20 0 FGADMP c1ccc2sc(C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C3CC3)nc2c1 ZINC000903786876 743883924 /nfs/dbraw/zinc/88/39/24/743883924.db2.gz PZPHVJVEPZCUQW-MRXNPFEDSA-N 2 1 357.523 3.419 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709560 744045839 /nfs/dbraw/zinc/04/58/39/744045839.db2.gz NRUPJOQBXSDELW-VSZNYVQBSA-N 2 1 356.432 3.190 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccc(Cl)cc2)CC1 ZINC000919860572 758482135 /nfs/dbraw/zinc/48/21/35/758482135.db2.gz CHKQJNGNAQCFKC-DAXSKMNVSA-N 2 1 356.857 3.139 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(Cl)c(C)nn2C)cc1 ZINC000921539090 758738107 /nfs/dbraw/zinc/73/81/07/758738107.db2.gz CBYZTHVFUPXGJT-UHFFFAOYSA-N 2 1 364.921 3.392 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CCCC2)CC1 ZINC000921716556 758777980 /nfs/dbraw/zinc/77/79/80/758777980.db2.gz XSCWKJJRRBLTTQ-CEXWTWQISA-N 2 1 350.547 3.205 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C2 ZINC000922387420 758909264 /nfs/dbraw/zinc/90/92/64/758909264.db2.gz KRWDXRJNTCRZQR-ZESFDBNRSA-N 2 1 350.453 3.047 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388788 758910192 /nfs/dbraw/zinc/91/01/92/758910192.db2.gz RGXGRDFFPRTWDK-BRSBDYLESA-N 2 1 367.331 3.018 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@H]1C(C)C ZINC000922391872 758912650 /nfs/dbraw/zinc/91/26/50/758912650.db2.gz BOMASFBTLDUQTG-RGCFKVTRSA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@@H]1C(C)C ZINC000922393686 758913572 /nfs/dbraw/zinc/91/35/72/758913572.db2.gz SDQFGRFCEKSDLB-TXCZRRACSA-N 2 1 371.319 3.002 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@H]1C(C)C ZINC000922396996 758914656 /nfs/dbraw/zinc/91/46/56/758914656.db2.gz ZXTAHDBKWYEDCP-LFGUQSLTSA-N 2 1 359.539 3.256 20 0 FGADMP O[C@H](Cc1ccccc1C(F)(F)F)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923291722 759096223 /nfs/dbraw/zinc/09/62/23/759096223.db2.gz FQHTYAMCFARRPS-QGZVFWFLSA-N 2 1 356.432 3.073 20 0 FGADMP Cc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390916 759110017 /nfs/dbraw/zinc/11/00/17/759110017.db2.gz ZOSSUGPXLCOAPP-XHSDSOJGSA-N 2 1 351.560 3.467 20 0 FGADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390914 759110091 /nfs/dbraw/zinc/11/00/91/759110091.db2.gz ZOSSUGPXLCOAPP-HRCADAONSA-N 2 1 351.560 3.467 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000923486825 759129373 /nfs/dbraw/zinc/12/93/73/759129373.db2.gz KFOKQFUXUGHHME-OXQOHEQNSA-N 2 1 357.523 3.015 20 0 FGADMP C[C@@H]1C[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@H]1C[NH3+] ZINC000923492659 759130536 /nfs/dbraw/zinc/13/05/36/759130536.db2.gz YNQXQRVPNFKERN-MNOVXSKESA-N 2 1 355.269 3.460 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@H]1C[NH3+] ZINC000923492659 759130538 /nfs/dbraw/zinc/13/05/38/759130538.db2.gz YNQXQRVPNFKERN-MNOVXSKESA-N 2 1 355.269 3.460 20 0 FGADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490860 759130693 /nfs/dbraw/zinc/13/06/93/759130693.db2.gz WWRANRGDLMSVJI-AGIUHOORSA-N 2 1 360.527 3.253 20 0 FGADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490860 759130699 /nfs/dbraw/zinc/13/06/99/759130699.db2.gz WWRANRGDLMSVJI-AGIUHOORSA-N 2 1 360.527 3.253 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c1OC ZINC000923498774 759132320 /nfs/dbraw/zinc/13/23/20/759132320.db2.gz PVSXTJMVQMLPJD-ZIAGYGMSSA-N 2 1 361.511 3.244 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000925078385 759444276 /nfs/dbraw/zinc/44/42/76/759444276.db2.gz LNEMEGFKNNMYOV-TZIWHRDSSA-N 2 1 353.595 3.224 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H](c2ccccc2)[C@H](C)[NH3+])n1CC(C)C ZINC000925489382 759496594 /nfs/dbraw/zinc/49/65/94/759496594.db2.gz XUVJLSQYEXCDJE-MAUKXSAKSA-N 2 1 361.559 3.267 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OC(F)F ZINC000925779408 759536523 /nfs/dbraw/zinc/53/65/23/759536523.db2.gz NBAOESPELREVAR-PWSUYJOCSA-N 2 1 350.356 3.192 20 0 FGADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000925802866 759545021 /nfs/dbraw/zinc/54/50/21/759545021.db2.gz SBTADFJVHVXDAP-JKSUJKDBSA-N 2 1 352.404 3.293 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000926785265 759821599 /nfs/dbraw/zinc/82/15/99/759821599.db2.gz ATXUCPYWNMUXPN-POGJWJPPSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000926785265 759821610 /nfs/dbraw/zinc/82/16/10/759821610.db2.gz ATXUCPYWNMUXPN-POGJWJPPSA-N 2 1 356.432 3.473 20 0 FGADMP CC(=O)NCCCCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000930373056 760591607 /nfs/dbraw/zinc/59/16/07/760591607.db2.gz GUWPGMBZTUIVEB-SFHVURJKSA-N 2 1 351.560 3.117 20 0 FGADMP CC(=O)NCCCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000930373056 760591611 /nfs/dbraw/zinc/59/16/11/760591611.db2.gz GUWPGMBZTUIVEB-SFHVURJKSA-N 2 1 351.560 3.117 20 0 FGADMP CC(=O)NCCCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000930373056 760591614 /nfs/dbraw/zinc/59/16/14/760591614.db2.gz GUWPGMBZTUIVEB-SFHVURJKSA-N 2 1 351.560 3.117 20 0 FGADMP C[N@@H+]1C[C@]2(C)C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@]2(C)C1 ZINC000931310706 760825692 /nfs/dbraw/zinc/82/56/92/760825692.db2.gz MFWUYXDLUBERAR-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[N@H+]1C[C@]2(C)C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@]2(C)C1 ZINC000931310706 760825706 /nfs/dbraw/zinc/82/57/06/760825706.db2.gz MFWUYXDLUBERAR-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[NH+]1C[C@]2(C)C[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@]2(C)C1 ZINC000931310706 760825719 /nfs/dbraw/zinc/82/57/19/760825719.db2.gz MFWUYXDLUBERAR-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP C[NH+]1C[C@]2(C)C[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@]2(C)C1 ZINC000931310706 760825734 /nfs/dbraw/zinc/82/57/34/760825734.db2.gz MFWUYXDLUBERAR-KDURUIRLSA-N 2 1 360.889 3.206 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715098 761463146 /nfs/dbraw/zinc/46/31/46/761463146.db2.gz YNCXKTIUTYVKEX-CQSZACIVSA-N 2 1 353.392 3.270 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715098 761463149 /nfs/dbraw/zinc/46/31/49/761463149.db2.gz YNCXKTIUTYVKEX-CQSZACIVSA-N 2 1 353.392 3.270 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000969689969 762861242 /nfs/dbraw/zinc/86/12/42/762861242.db2.gz NABDQAFVBPJZAR-DKSSEZFCSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000969689969 762861253 /nfs/dbraw/zinc/86/12/53/762861253.db2.gz NABDQAFVBPJZAR-DKSSEZFCSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000997094145 765045342 /nfs/dbraw/zinc/04/53/42/765045342.db2.gz SPILSVIHQOWQJN-AYOQOUSVSA-N 2 1 363.571 3.195 20 0 FGADMP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001001418730 765285709 /nfs/dbraw/zinc/28/57/09/765285709.db2.gz LJMUHANAGGQOJX-DNVCBOLYSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3C/C=C\Cl)CC2)CC[N@H+]1C ZINC001004453923 765432915 /nfs/dbraw/zinc/43/29/15/765432915.db2.gz XUKPNMZULFGHTI-DQHHYCERSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@@H+]3C/C=C\Cl)CC2)CC[NH+]1C ZINC001004453923 765432920 /nfs/dbraw/zinc/43/29/20/765432920.db2.gz XUKPNMZULFGHTI-DQHHYCERSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CCC[N@H+]3C/C=C\Cl)CC2)CC[NH+]1C ZINC001004453923 765432923 /nfs/dbraw/zinc/43/29/23/765432923.db2.gz XUKPNMZULFGHTI-DQHHYCERSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001007369448 765589239 /nfs/dbraw/zinc/58/92/39/765589239.db2.gz RDCALCJETQHTHG-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001007369448 765589244 /nfs/dbraw/zinc/58/92/44/765589244.db2.gz RDCALCJETQHTHG-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001007369448 765589248 /nfs/dbraw/zinc/58/92/48/765589248.db2.gz RDCALCJETQHTHG-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001007369448 765589249 /nfs/dbraw/zinc/58/92/49/765589249.db2.gz RDCALCJETQHTHG-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001007370124 765589650 /nfs/dbraw/zinc/58/96/50/765589650.db2.gz VYGYDIBNWAMNBD-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001007370124 765589654 /nfs/dbraw/zinc/58/96/54/765589654.db2.gz VYGYDIBNWAMNBD-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001007370124 765589659 /nfs/dbraw/zinc/58/96/59/765589659.db2.gz VYGYDIBNWAMNBD-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001007370124 765589665 /nfs/dbraw/zinc/58/96/65/765589665.db2.gz VYGYDIBNWAMNBD-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001023996149 766047650 /nfs/dbraw/zinc/04/76/50/766047650.db2.gz VGLFJBMOQVRNTM-YTQUADARSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001034941234 766250346 /nfs/dbraw/zinc/25/03/46/766250346.db2.gz NNLSSENXQIYHFK-VNQPRFMTSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccsc2)CC[N@@H+]1C ZINC001039607492 766298178 /nfs/dbraw/zinc/29/81/78/766298178.db2.gz QSVYZZSNGDOHNU-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccsc2)CC[N@H+]1C ZINC001039607492 766298185 /nfs/dbraw/zinc/29/81/85/766298185.db2.gz QSVYZZSNGDOHNU-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001039607492 766298189 /nfs/dbraw/zinc/29/81/89/766298189.db2.gz QSVYZZSNGDOHNU-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccsc2)CC[NH+]1C ZINC001039607492 766298193 /nfs/dbraw/zinc/29/81/93/766298193.db2.gz QSVYZZSNGDOHNU-ZSYWTGECSA-N 2 1 361.555 3.044 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013855 724381111 /nfs/dbraw/zinc/38/11/11/724381111.db2.gz JDLYOUQQVVFEMA-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000048745036 257344131 /nfs/dbraw/zinc/34/41/31/257344131.db2.gz SAGNUMNEQUCOPT-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842164 495047337 /nfs/dbraw/zinc/04/73/37/495047337.db2.gz ONCAOPIKQCMLIV-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597390 505575050 /nfs/dbraw/zinc/57/50/50/505575050.db2.gz VUJHBQYKUWIXOJ-VQIMIIECSA-N 2 1 351.485 3.216 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597390 505575052 /nfs/dbraw/zinc/57/50/52/505575052.db2.gz VUJHBQYKUWIXOJ-VQIMIIECSA-N 2 1 351.485 3.216 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1OC ZINC000576709734 505576054 /nfs/dbraw/zinc/57/60/54/505576054.db2.gz UBIJKNSVIAWGQN-QGZVFWFLSA-N 2 1 358.457 3.455 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1OC ZINC000576709734 505576057 /nfs/dbraw/zinc/57/60/57/505576057.db2.gz UBIJKNSVIAWGQN-QGZVFWFLSA-N 2 1 358.457 3.455 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000567940454 505580064 /nfs/dbraw/zinc/58/00/64/505580064.db2.gz YHKYQCHLCCTIDX-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000567940454 505580067 /nfs/dbraw/zinc/58/00/67/505580067.db2.gz YHKYQCHLCCTIDX-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000567940454 505580071 /nfs/dbraw/zinc/58/00/71/505580071.db2.gz YHKYQCHLCCTIDX-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP CCc1cnccc1[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000573624330 505581445 /nfs/dbraw/zinc/58/14/45/505581445.db2.gz PUNXWPLSTJVDIV-KRWDZBQOSA-N 2 1 372.557 3.018 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](c2ccnc(N)n2)C1 ZINC000576737198 505581831 /nfs/dbraw/zinc/58/18/31/505581831.db2.gz XTHHTQXOWNDZRA-IBGZPJMESA-N 2 1 367.541 3.227 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000576737198 505581838 /nfs/dbraw/zinc/58/18/38/505581838.db2.gz XTHHTQXOWNDZRA-IBGZPJMESA-N 2 1 367.541 3.227 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000576737198 505581840 /nfs/dbraw/zinc/58/18/40/505581840.db2.gz XTHHTQXOWNDZRA-IBGZPJMESA-N 2 1 367.541 3.227 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000579608435 505586562 /nfs/dbraw/zinc/58/65/62/505586562.db2.gz TVJQOYADZLODPL-UXLLHSPISA-N 2 1 366.465 3.222 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000579608435 505586564 /nfs/dbraw/zinc/58/65/64/505586564.db2.gz TVJQOYADZLODPL-UXLLHSPISA-N 2 1 366.465 3.222 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000576789079 505594192 /nfs/dbraw/zinc/59/41/92/505594192.db2.gz AFXZZTGMOJKRQA-QFIPXVFZSA-N 2 1 359.558 3.346 20 0 FGADMP CCc1cc(=O)[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000579667518 505597611 /nfs/dbraw/zinc/59/76/11/505597611.db2.gz YMDGSJFTUAAFSN-UHFFFAOYSA-N 2 1 366.509 3.233 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@@H](C)O1 ZINC000573763784 505613584 /nfs/dbraw/zinc/61/35/84/505613584.db2.gz KFACBVSNAUFTPA-QZTJIDSGSA-N 2 1 371.525 3.258 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576908111 505620980 /nfs/dbraw/zinc/62/09/80/505620980.db2.gz FELVHPLQHRLQIR-QFIPXVFZSA-N 2 1 367.537 3.449 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000576965677 505635412 /nfs/dbraw/zinc/63/54/12/505635412.db2.gz SNRJFWRPEHLQNQ-FMWKFLBASA-N 2 1 372.557 3.056 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000576965678 505635712 /nfs/dbraw/zinc/63/57/12/505635712.db2.gz SNRJFWRPEHLQNQ-JYAXBFRTSA-N 2 1 372.557 3.056 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000568189398 505638968 /nfs/dbraw/zinc/63/89/68/505638968.db2.gz GRLKINYXXXXFAC-HLIPFELVSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000568189398 505638972 /nfs/dbraw/zinc/63/89/72/505638972.db2.gz GRLKINYXXXXFAC-HLIPFELVSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000568189398 505638975 /nfs/dbraw/zinc/63/89/75/505638975.db2.gz GRLKINYXXXXFAC-HLIPFELVSA-N 2 1 354.498 3.272 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571056419 505643743 /nfs/dbraw/zinc/64/37/43/505643743.db2.gz QYKQYUGNSBBRIK-JOCHJYFZSA-N 2 1 364.493 3.275 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000579946937 505651395 /nfs/dbraw/zinc/65/13/95/505651395.db2.gz HUVGXHYILICZDB-CZUORRHYSA-N 2 1 355.404 3.040 20 0 FGADMP COc1ccccc1-n1nccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000571126624 505658497 /nfs/dbraw/zinc/65/84/97/505658497.db2.gz KGHOTEIBPNIWAV-GOSISDBHSA-N 2 1 354.498 3.045 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(I)c1 ZINC000580056102 505671106 /nfs/dbraw/zinc/67/11/06/505671106.db2.gz SGRDYWJGPZFASA-LBPRGKRZSA-N 2 1 369.250 3.222 20 0 FGADMP C[C@@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970758 493768407 /nfs/dbraw/zinc/76/84/07/493768407.db2.gz GGNMQGSLYRFTLR-GOSISDBHSA-N 2 1 355.526 3.162 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081333738 493873436 /nfs/dbraw/zinc/87/34/36/493873436.db2.gz LTCLVLOXUPNNRT-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP Cc1ccc(C[NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)o1 ZINC000076399911 493885779 /nfs/dbraw/zinc/88/57/79/493885779.db2.gz QFRQHFJGLSWEKG-UHFFFAOYSA-N 2 1 358.482 3.367 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000050988709 493940055 /nfs/dbraw/zinc/94/00/55/493940055.db2.gz IVEQXCQZGBALSO-UHFFFAOYSA-N 2 1 369.553 3.196 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C1CC1)C1CC1 ZINC000050988707 493940511 /nfs/dbraw/zinc/94/05/11/493940511.db2.gz RZXFOOODAAOQMD-UHFFFAOYSA-N 2 1 355.526 3.019 20 0 FGADMP c1sc(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957476 493994319 /nfs/dbraw/zinc/99/43/19/493994319.db2.gz YQMOBVLAANRUMI-UHFFFAOYSA-N 2 1 357.523 3.354 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000052209427 494012177 /nfs/dbraw/zinc/01/21/77/494012177.db2.gz AXIPOSGBWHOLNR-UHFFFAOYSA-N 2 1 371.525 3.117 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000580171377 505694801 /nfs/dbraw/zinc/69/48/01/505694801.db2.gz DAZKVBODRCXTIC-AVRDEDQJSA-N 2 1 372.557 3.250 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccc[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077171296 494025873 /nfs/dbraw/zinc/02/58/73/494025873.db2.gz MVPNANDVGOFWHV-OAQYLSRUSA-N 2 1 366.509 3.064 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1c1ccc[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077171296 494025878 /nfs/dbraw/zinc/02/58/78/494025878.db2.gz MVPNANDVGOFWHV-OAQYLSRUSA-N 2 1 366.509 3.064 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000085388410 494119522 /nfs/dbraw/zinc/11/95/22/494119522.db2.gz AASLIKBWPPXGOQ-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295146 505701129 /nfs/dbraw/zinc/70/11/29/505701129.db2.gz PTXXUFOJMHYANS-DYVFJYSZSA-N 2 1 352.404 3.262 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295146 505701131 /nfs/dbraw/zinc/70/11/31/505701131.db2.gz PTXXUFOJMHYANS-DYVFJYSZSA-N 2 1 352.404 3.262 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000086390205 494151569 /nfs/dbraw/zinc/15/15/69/494151569.db2.gz QHXQLTIFXRQVCR-OAHLLOKOSA-N 2 1 355.486 3.025 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000086390205 494151572 /nfs/dbraw/zinc/15/15/72/494151572.db2.gz QHXQLTIFXRQVCR-OAHLLOKOSA-N 2 1 355.486 3.025 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086426450 494153065 /nfs/dbraw/zinc/15/30/65/494153065.db2.gz BLZLEICIHYYWMN-MRXNPFEDSA-N 2 1 357.502 3.273 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086426450 494153068 /nfs/dbraw/zinc/15/30/68/494153068.db2.gz BLZLEICIHYYWMN-MRXNPFEDSA-N 2 1 357.502 3.273 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(C)C ZINC000072518253 494190607 /nfs/dbraw/zinc/19/06/07/494190607.db2.gz JABPVRMBKXXDCJ-UHFFFAOYSA-N 2 1 352.567 3.155 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000065441994 494197712 /nfs/dbraw/zinc/19/77/12/494197712.db2.gz XEDZPGHULGGDHW-LJQANCHMSA-N 2 1 364.578 3.205 20 0 FGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(I)cc2)CC1 ZINC000088185501 494211077 /nfs/dbraw/zinc/21/10/77/494211077.db2.gz GCKCIGDRYARPMJ-UHFFFAOYSA-N 2 1 358.267 3.207 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(I)cc2)CC1 ZINC000088185501 494211080 /nfs/dbraw/zinc/21/10/80/494211080.db2.gz GCKCIGDRYARPMJ-UHFFFAOYSA-N 2 1 358.267 3.207 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000568495064 505708845 /nfs/dbraw/zinc/70/88/45/505708845.db2.gz RHDKHRUXHQWCRA-WAOWUJCRSA-N 2 1 357.542 3.331 20 0 FGADMP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000072884106 494275590 /nfs/dbraw/zinc/27/55/90/494275590.db2.gz IHQKVNWBQJCYHM-QFIPXVFZSA-N 2 1 371.569 3.306 20 0 FGADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OCc1c(C)noc1C ZINC000066236746 494293190 /nfs/dbraw/zinc/29/31/90/494293190.db2.gz VVKAKSCGHHEOHI-UHFFFAOYSA-N 2 1 373.497 3.455 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000078484784 494304541 /nfs/dbraw/zinc/30/45/41/494304541.db2.gz DXGUMXTVRLADGX-RBUKOAKNSA-N 2 1 372.513 3.265 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073409786 494368326 /nfs/dbraw/zinc/36/83/26/494368326.db2.gz OGAHEBYDZPVXGY-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000073409786 494368330 /nfs/dbraw/zinc/36/83/30/494368330.db2.gz OGAHEBYDZPVXGY-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536064 494384941 /nfs/dbraw/zinc/38/49/41/494384941.db2.gz NIGSHUUAGAHOAY-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000073550686 494389149 /nfs/dbraw/zinc/38/91/49/494389149.db2.gz PSUQBRWAYOFZMX-IBGZPJMESA-N 2 1 372.557 3.156 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000073588407 494395398 /nfs/dbraw/zinc/39/53/98/494395398.db2.gz JORCWCWGDZRBOD-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000079393346 494446209 /nfs/dbraw/zinc/44/62/09/494446209.db2.gz NLXPYXNDBADXAL-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000079393346 494446211 /nfs/dbraw/zinc/44/62/11/494446211.db2.gz NLXPYXNDBADXAL-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000079393346 494446216 /nfs/dbraw/zinc/44/62/16/494446216.db2.gz NLXPYXNDBADXAL-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000079393346 494446218 /nfs/dbraw/zinc/44/62/18/494446218.db2.gz NLXPYXNDBADXAL-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000045788962 494462387 /nfs/dbraw/zinc/46/23/87/494462387.db2.gz VOIKTJPITVKAFS-UHFFFAOYSA-N 2 1 362.562 3.256 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000090526646 494478149 /nfs/dbraw/zinc/47/81/49/494478149.db2.gz FNMUMJZCLYIMFE-NXHRZFHOSA-N 2 1 363.571 3.440 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319176 494516838 /nfs/dbraw/zinc/51/68/38/494516838.db2.gz QSNHFHDSSUWPAP-PZJWPPBQSA-N 2 1 357.542 3.260 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000056763998 494558264 /nfs/dbraw/zinc/55/82/64/494558264.db2.gz VDTSVEGPCQHPHX-UHFFFAOYSA-N 2 1 369.513 3.432 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000121114487 494601567 /nfs/dbraw/zinc/60/15/67/494601567.db2.gz XOUYXRGEZOOBED-GOSISDBHSA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000121114487 494601571 /nfs/dbraw/zinc/60/15/71/494601571.db2.gz XOUYXRGEZOOBED-GOSISDBHSA-N 2 1 361.534 3.020 20 0 FGADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074792427 494602851 /nfs/dbraw/zinc/60/28/51/494602851.db2.gz KALUKRVAKBFSIE-IHWFROFDSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000107834878 494608198 /nfs/dbraw/zinc/60/81/98/494608198.db2.gz DEEHVTOWZQGIGA-KDURUIRLSA-N 2 1 366.594 3.308 20 0 FGADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000571431505 505731605 /nfs/dbraw/zinc/73/16/05/505731605.db2.gz MNHSVILTQUYKCJ-HSALFYBXSA-N 2 1 371.456 3.260 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796595 494626344 /nfs/dbraw/zinc/62/63/44/494626344.db2.gz VYNCROKJFJGMBH-AEFFLSMTSA-N 2 1 366.575 3.114 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3-c3cccs3)CC2)C[C@H](C)O1 ZINC000092587168 494677471 /nfs/dbraw/zinc/67/74/71/494677471.db2.gz UGDQFDSZNIQBOI-IYBDPMFKSA-N 2 1 374.554 3.459 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000568608522 505735854 /nfs/dbraw/zinc/73/58/54/505735854.db2.gz DLYUKVOIVNGIPG-DOTOQJQBSA-N 2 1 364.559 3.092 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000121414286 494745530 /nfs/dbraw/zinc/74/55/30/494745530.db2.gz NMGATNQLOJZVFS-OAHLLOKOSA-N 2 1 374.916 3.375 20 0 FGADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821140 494763120 /nfs/dbraw/zinc/76/31/20/494763120.db2.gz BZEQSYIMWIBIPT-GOSISDBHSA-N 2 1 360.546 3.171 20 0 FGADMP C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1CCC[NH2+]C1 ZINC000568627989 505740668 /nfs/dbraw/zinc/74/06/68/505740668.db2.gz JPDCMIXAIXAFSC-JKSUJKDBSA-N 2 1 364.559 3.483 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070480 494778530 /nfs/dbraw/zinc/77/85/30/494778530.db2.gz DLTXJJYWPXJMBA-HXUWFJFHSA-N 2 1 355.530 3.148 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070480 494778535 /nfs/dbraw/zinc/77/85/35/494778535.db2.gz DLTXJJYWPXJMBA-HXUWFJFHSA-N 2 1 355.530 3.148 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000092070480 494778538 /nfs/dbraw/zinc/77/85/38/494778538.db2.gz DLTXJJYWPXJMBA-HXUWFJFHSA-N 2 1 355.530 3.148 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116435097 494786978 /nfs/dbraw/zinc/78/69/78/494786978.db2.gz AHSQFHHVUJLJDO-RXVVDRJESA-N 2 1 372.557 3.386 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000126658260 494813878 /nfs/dbraw/zinc/81/38/78/494813878.db2.gz PQVAIDXWZMJSSY-ZIAGYGMSSA-N 2 1 369.303 3.183 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000126658260 494813882 /nfs/dbraw/zinc/81/38/82/494813882.db2.gz PQVAIDXWZMJSSY-ZIAGYGMSSA-N 2 1 369.303 3.183 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccc(C)cc4)s3)C2)CC1 ZINC000093133425 494831155 /nfs/dbraw/zinc/83/11/55/494831155.db2.gz KDUJRAHRYKZMHX-IBGZPJMESA-N 2 1 370.566 3.330 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000109122657 494834454 /nfs/dbraw/zinc/83/44/54/494834454.db2.gz XIJSQOISOOJIJO-CTNGQTDRSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109122657 494834458 /nfs/dbraw/zinc/83/44/58/494834458.db2.gz XIJSQOISOOJIJO-CTNGQTDRSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109122657 494834462 /nfs/dbraw/zinc/83/44/62/494834462.db2.gz XIJSQOISOOJIJO-CTNGQTDRSA-N 2 1 357.542 3.422 20 0 FGADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336967 494872506 /nfs/dbraw/zinc/87/25/06/494872506.db2.gz BNOCMRQJFACQLO-LJQANCHMSA-N 2 1 361.493 3.426 20 0 FGADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336967 494872508 /nfs/dbraw/zinc/87/25/08/494872508.db2.gz BNOCMRQJFACQLO-LJQANCHMSA-N 2 1 361.493 3.426 20 0 FGADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336967 494872511 /nfs/dbraw/zinc/87/25/11/494872511.db2.gz BNOCMRQJFACQLO-LJQANCHMSA-N 2 1 361.493 3.426 20 0 FGADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336967 494872514 /nfs/dbraw/zinc/87/25/14/494872514.db2.gz BNOCMRQJFACQLO-LJQANCHMSA-N 2 1 361.493 3.426 20 0 FGADMP COc1ccc([C@@H]2C[C@H](C)C[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862920 494877315 /nfs/dbraw/zinc/87/73/15/494877315.db2.gz COOWSOXVQGEHNZ-UWJYYQICSA-N 2 1 373.541 3.067 20 0 FGADMP Cn1cc[nH+]c1CC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000121991565 494904945 /nfs/dbraw/zinc/90/49/45/494904945.db2.gz GTVRWGWQRKGQIY-UHFFFAOYSA-N 2 1 366.509 3.111 20 0 FGADMP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613967 494905426 /nfs/dbraw/zinc/90/54/26/494905426.db2.gz PLUMCOVXMLDYQU-NHCUHLMSSA-N 2 1 374.569 3.397 20 0 FGADMP CCO[C@@H]1C[C@@H](O)C12CC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613967 494905430 /nfs/dbraw/zinc/90/54/30/494905430.db2.gz PLUMCOVXMLDYQU-NHCUHLMSSA-N 2 1 374.569 3.397 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644489 494907392 /nfs/dbraw/zinc/90/73/92/494907392.db2.gz HJWOZGZJQIPPEC-WIYYLYMNSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093644489 494907393 /nfs/dbraw/zinc/90/73/93/494907393.db2.gz HJWOZGZJQIPPEC-WIYYLYMNSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093644489 494907394 /nfs/dbraw/zinc/90/73/94/494907394.db2.gz HJWOZGZJQIPPEC-WIYYLYMNSA-N 2 1 358.574 3.132 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742179 494916455 /nfs/dbraw/zinc/91/64/55/494916455.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 2 1 372.601 3.382 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742179 494916458 /nfs/dbraw/zinc/91/64/58/494916458.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742179 494916461 /nfs/dbraw/zinc/91/64/61/494916461.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742179 494916464 /nfs/dbraw/zinc/91/64/64/494916464.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742179 494916468 /nfs/dbraw/zinc/91/64/68/494916468.db2.gz ZIIKFGIZBURVPM-OAQYLSRUSA-N 3 1 372.601 3.382 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000122103679 494925076 /nfs/dbraw/zinc/92/50/76/494925076.db2.gz YAVVMGJPWNOPRF-INIZCTEOSA-N 2 1 369.513 3.273 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132885434 494938186 /nfs/dbraw/zinc/93/81/86/494938186.db2.gz LLZLAMNZKKRGHL-QGZVFWFLSA-N 2 1 370.463 3.095 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000110073114 494945887 /nfs/dbraw/zinc/94/58/87/494945887.db2.gz VOHZZYBENLGOLQ-QGZVFWFLSA-N 2 1 374.529 3.074 20 0 FGADMP COc1cc(N[C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)cc(OC)c1 ZINC000127457761 494947628 /nfs/dbraw/zinc/94/76/28/494947628.db2.gz OMRNJRPJCFHPAV-KRWDZBQOSA-N 2 1 358.486 3.175 20 0 FGADMP COc1cc(N[C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)cc(OC)c1 ZINC000127457761 494947633 /nfs/dbraw/zinc/94/76/33/494947633.db2.gz OMRNJRPJCFHPAV-KRWDZBQOSA-N 2 1 358.486 3.175 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133007293 494955142 /nfs/dbraw/zinc/95/51/42/494955142.db2.gz YEMFDROJAOAJMA-IBGZPJMESA-N 2 1 358.574 3.181 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133007293 494955144 /nfs/dbraw/zinc/95/51/44/494955144.db2.gz YEMFDROJAOAJMA-IBGZPJMESA-N 2 1 358.574 3.181 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000133120695 494973045 /nfs/dbraw/zinc/97/30/45/494973045.db2.gz JAUBFDLUDRPABA-HXUWFJFHSA-N 2 1 372.601 3.429 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122741270 495023570 /nfs/dbraw/zinc/02/35/70/495023570.db2.gz CCZGPSAILQBDSY-HXUWFJFHSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118842164 495047328 /nfs/dbraw/zinc/04/73/28/495047328.db2.gz ONCAOPIKQCMLIV-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842164 495047335 /nfs/dbraw/zinc/04/73/35/495047335.db2.gz ONCAOPIKQCMLIV-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1nc2ccccc2s1 ZINC000118868035 495051167 /nfs/dbraw/zinc/05/11/67/495051167.db2.gz ZVCQKVSKKKMGPK-UHFFFAOYSA-N 2 1 374.554 3.313 20 0 FGADMP C[N@@H+](CCc1cccc2ccccc21)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000101556193 495076004 /nfs/dbraw/zinc/07/60/04/495076004.db2.gz BXABXJYGHRWVIH-UHFFFAOYSA-N 2 1 365.521 3.057 20 0 FGADMP C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000111646173 495092008 /nfs/dbraw/zinc/09/20/08/495092008.db2.gz PGWPYLMBTXVVOB-LJQANCHMSA-N 2 1 357.542 3.206 20 0 FGADMP C[C@H](C(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000111646173 495092010 /nfs/dbraw/zinc/09/20/10/495092010.db2.gz PGWPYLMBTXVVOB-LJQANCHMSA-N 2 1 357.542 3.206 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000128412048 495092994 /nfs/dbraw/zinc/09/29/94/495092994.db2.gz JKZSOPLZLMPPKQ-IRXDYDNUSA-N 2 1 360.571 3.406 20 0 FGADMP Cc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)sc1Br ZINC000134100775 495106342 /nfs/dbraw/zinc/10/63/42/495106342.db2.gz VFHCBEASFGTISS-UHFFFAOYSA-N 2 1 373.360 3.363 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000134122020 495109207 /nfs/dbraw/zinc/10/92/07/495109207.db2.gz MJXRIUXJFGJTTJ-CALCHBBNSA-N 2 1 361.530 3.230 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000111881030 495124641 /nfs/dbraw/zinc/12/46/41/495124641.db2.gz NDYVTPNDGLYZIN-GOSISDBHSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCC[NH+]2CC)CC1 ZINC000111884041 495125776 /nfs/dbraw/zinc/12/57/76/495125776.db2.gz XYSIRQBWVRDIHA-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000111884041 495125777 /nfs/dbraw/zinc/12/57/77/495125777.db2.gz XYSIRQBWVRDIHA-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2CC)CC1 ZINC000111884041 495125779 /nfs/dbraw/zinc/12/57/79/495125779.db2.gz XYSIRQBWVRDIHA-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000123507353 495142952 /nfs/dbraw/zinc/14/29/52/495142952.db2.gz DVTFUARUTUFTFB-INIZCTEOSA-N 2 1 359.514 3.270 20 0 FGADMP c1csc(Cn2cccc2C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000119329729 495143619 /nfs/dbraw/zinc/14/36/19/495143619.db2.gz LJDLXKNLQPCZBM-QGZVFWFLSA-N 2 1 359.539 3.188 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633940 495164483 /nfs/dbraw/zinc/16/44/83/495164483.db2.gz BCEHNENLPBYUSN-XJABCFGWSA-N 2 1 354.494 3.371 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123659526 495167953 /nfs/dbraw/zinc/16/79/53/495167953.db2.gz OIOVBTKAPXQTHH-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123659526 495167956 /nfs/dbraw/zinc/16/79/56/495167956.db2.gz OIOVBTKAPXQTHH-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC1 ZINC000568735834 505765724 /nfs/dbraw/zinc/76/57/24/505765724.db2.gz WMTDNSKTIZLALI-UHFFFAOYSA-N 2 1 364.493 3.466 20 0 FGADMP c1cc(OCCC[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)cc2c1OCO2 ZINC000134904943 495219788 /nfs/dbraw/zinc/21/97/88/495219788.db2.gz PZBMAQYFHLXNEG-APWZRJJASA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000134904943 495219791 /nfs/dbraw/zinc/21/97/91/495219791.db2.gz PZBMAQYFHLXNEG-APWZRJJASA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000134904943 495219796 /nfs/dbraw/zinc/21/97/96/495219796.db2.gz PZBMAQYFHLXNEG-APWZRJJASA-N 2 1 358.482 3.133 20 0 FGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000119835263 495251560 /nfs/dbraw/zinc/25/15/60/495251560.db2.gz VMSFBNQBTOIMGR-UHFFFAOYSA-N 2 1 354.498 3.089 20 0 FGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000119835263 495251563 /nfs/dbraw/zinc/25/15/63/495251563.db2.gz VMSFBNQBTOIMGR-UHFFFAOYSA-N 2 1 354.498 3.089 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000135359168 495282067 /nfs/dbraw/zinc/28/20/67/495282067.db2.gz UPSHZEYPNIWXMJ-NRFANRHFSA-N 2 1 369.553 3.217 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000113515828 495308681 /nfs/dbraw/zinc/30/86/81/495308681.db2.gz SPRWIBWPMJQWEC-MSOLQXFVSA-N 2 1 351.494 3.039 20 0 FGADMP CC(C)NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124718183 495332749 /nfs/dbraw/zinc/33/27/49/495332749.db2.gz HOFIBEICRORXTJ-UNMCSNQZSA-N 2 1 371.569 3.367 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083259 495335456 /nfs/dbraw/zinc/33/54/56/495335456.db2.gz LVMMHAKGRMHYQY-TZIWHRDSSA-N 2 1 374.573 3.271 20 0 FGADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[NH+]1CCCCC1 ZINC000135892637 495341237 /nfs/dbraw/zinc/34/12/37/495341237.db2.gz NGTQVOZSXZSOOZ-SIKLNZKXSA-N 2 1 358.574 3.408 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000114016659 495344404 /nfs/dbraw/zinc/34/44/04/495344404.db2.gz QWPONJCDNGIKOA-OALUTQOASA-N 2 1 364.578 3.155 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000124902653 495361895 /nfs/dbraw/zinc/36/18/95/495361895.db2.gz QYGNGEGPKFNPDH-UHFFFAOYSA-N 2 1 368.525 3.309 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120378435 495364678 /nfs/dbraw/zinc/36/46/78/495364678.db2.gz QVMCIVXNHSIYEN-UYAOXDASSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120378435 495364682 /nfs/dbraw/zinc/36/46/82/495364682.db2.gz QVMCIVXNHSIYEN-UYAOXDASSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120378783 495364705 /nfs/dbraw/zinc/36/47/05/495364705.db2.gz QVMCIVXNHSIYEN-QUCCMNQESA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120378783 495364709 /nfs/dbraw/zinc/36/47/09/495364709.db2.gz QVMCIVXNHSIYEN-QUCCMNQESA-N 2 1 368.525 3.423 20 0 FGADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452639 505777160 /nfs/dbraw/zinc/77/71/60/505777160.db2.gz GTFDRTFNGCUREY-KZNAEPCWSA-N 2 1 373.566 3.225 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130372393 495381386 /nfs/dbraw/zinc/38/13/86/495381386.db2.gz SCLRCRBVANOLMM-KSZLIROESA-N 2 1 356.432 3.464 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000136861472 495405865 /nfs/dbraw/zinc/40/58/65/495405865.db2.gz PQQMNFLUSDJBKV-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137426572 495440596 /nfs/dbraw/zinc/44/05/96/495440596.db2.gz IYGLZYXZQVFFSD-UYAOXDASSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000130830732 495452579 /nfs/dbraw/zinc/45/25/79/495452579.db2.gz JXHLZIWXHWIHDC-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP O=C([C@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580569168 505788581 /nfs/dbraw/zinc/78/85/81/505788581.db2.gz CAGDHRGXVOFXQE-IRLDBZIGSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@@H]1C[C@H](C)O ZINC000179453951 495597638 /nfs/dbraw/zinc/59/76/38/495597638.db2.gz WQVSTJMVJXQRJO-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000179453951 495597641 /nfs/dbraw/zinc/59/76/41/495597641.db2.gz WQVSTJMVJXQRJO-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000179453951 495597648 /nfs/dbraw/zinc/59/76/48/495597648.db2.gz WQVSTJMVJXQRJO-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000158909387 495613138 /nfs/dbraw/zinc/61/31/38/495613138.db2.gz FIDCVMPMNFEIPD-PGRDOPGGSA-N 2 1 353.510 3.492 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081513 495654070 /nfs/dbraw/zinc/65/40/70/495654070.db2.gz SMUJPMWIKQEZTJ-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081513 495654075 /nfs/dbraw/zinc/65/40/75/495654075.db2.gz SMUJPMWIKQEZTJ-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081513 495654082 /nfs/dbraw/zinc/65/40/82/495654082.db2.gz SMUJPMWIKQEZTJ-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000159081513 495654086 /nfs/dbraw/zinc/65/40/86/495654086.db2.gz SMUJPMWIKQEZTJ-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185676029 495673504 /nfs/dbraw/zinc/67/35/04/495673504.db2.gz QSQBPAJJLIGCDS-QKNQBKEWSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740499 495705290 /nfs/dbraw/zinc/70/52/90/495705290.db2.gz BIXNIYISMSDGQV-DOTOQJQBSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740499 495705297 /nfs/dbraw/zinc/70/52/97/495705297.db2.gz BIXNIYISMSDGQV-DOTOQJQBSA-N 2 1 363.933 3.199 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000151084388 495731960 /nfs/dbraw/zinc/73/19/60/495731960.db2.gz PKBTWDOGQWRFKJ-ZCNNSNEGSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000151084388 495731962 /nfs/dbraw/zinc/73/19/62/495731962.db2.gz PKBTWDOGQWRFKJ-ZCNNSNEGSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000151084388 495731966 /nfs/dbraw/zinc/73/19/66/495731966.db2.gz PKBTWDOGQWRFKJ-ZCNNSNEGSA-N 2 1 353.595 3.224 20 0 FGADMP c1ccc(N2CC[NH+](Cc3ccccc3C[NH2+]Cc3cncnc3)CC2)cc1 ZINC000171128909 495736203 /nfs/dbraw/zinc/73/62/03/495736203.db2.gz JQBGUBYEIDCSHZ-UHFFFAOYSA-N 2 1 373.504 3.089 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000173913492 495744489 /nfs/dbraw/zinc/74/44/89/495744489.db2.gz CMCCMCPLNKNZSM-CQSZACIVSA-N 2 1 361.511 3.298 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2csc(-c3ccc(O)c(OC)c3)n2)C1 ZINC000173913478 495744540 /nfs/dbraw/zinc/74/45/40/495744540.db2.gz CMCCMCPLNKNZSM-AWEZNQCLSA-N 2 1 361.511 3.298 20 0 FGADMP Cc1cnccc1NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179817424 495746798 /nfs/dbraw/zinc/74/67/98/495746798.db2.gz GGMUEBUKNAYWCM-WOJBJXKFSA-N 2 1 373.545 3.191 20 0 FGADMP O=C1[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)cc1Cl ZINC000580646512 505805218 /nfs/dbraw/zinc/80/52/18/505805218.db2.gz JBUZYZSTGHXYJV-AHIWAGSCSA-N 2 1 368.308 3.030 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)C[C@H](C)O1 ZINC000171306916 495812967 /nfs/dbraw/zinc/81/29/67/495812967.db2.gz MTOFZCVCMNJNFI-HOTGVXAUSA-N 2 1 359.470 3.256 20 0 FGADMP COc1ccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183150216 495855913 /nfs/dbraw/zinc/85/59/13/495855913.db2.gz VZYBNKMFYGKKSH-OAHLLOKOSA-N 2 1 364.449 3.479 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1 ZINC000183157410 495859885 /nfs/dbraw/zinc/85/98/85/495859885.db2.gz SARAQNRSOAMTEG-OLZOCXBDSA-N 2 1 355.467 3.315 20 0 FGADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229929 495883859 /nfs/dbraw/zinc/88/38/59/495883859.db2.gz HEUYLGKFNPNHTD-MOPGFXCFSA-N 2 1 357.542 3.162 20 0 FGADMP Cc1ncsc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000174279536 495892883 /nfs/dbraw/zinc/89/28/83/495892883.db2.gz WYFDHQXTSRZYKR-UHFFFAOYSA-N 2 1 358.555 3.139 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000180312454 495946470 /nfs/dbraw/zinc/94/64/70/495946470.db2.gz WAPVYFFJQALLOD-FVJLSDCUSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000571781332 505814156 /nfs/dbraw/zinc/81/41/56/505814156.db2.gz MPTFFTSJELRKMS-HKJQZYRSSA-N 2 1 357.542 3.322 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000571781332 505814160 /nfs/dbraw/zinc/81/41/60/505814160.db2.gz MPTFFTSJELRKMS-HKJQZYRSSA-N 2 1 357.542 3.322 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000174545329 496001929 /nfs/dbraw/zinc/00/19/29/496001929.db2.gz WCACCWLEMQDKDX-GOSISDBHSA-N 2 1 356.539 3.022 20 0 FGADMP CC(C)N(C)C(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000177456585 496069002 /nfs/dbraw/zinc/06/90/02/496069002.db2.gz WDUNBNLXKPDXPT-KRWDZBQOSA-N 2 1 360.546 3.132 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(CC(C)C)C2CC2)cc1 ZINC000183680321 496075228 /nfs/dbraw/zinc/07/52/28/496075228.db2.gz OBZIQYVHJWASPD-MRXNPFEDSA-N 2 1 354.498 3.478 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCOCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000177484516 496081134 /nfs/dbraw/zinc/08/11/34/496081134.db2.gz HODXWCPDTWYFAU-IYBDPMFKSA-N 2 1 366.468 3.167 20 0 FGADMP Cc1ccc2ncc(CNCc3cccc(C(=O)NCc4ccco4)c3)n2c1 ZINC000155899073 496101550 /nfs/dbraw/zinc/10/15/50/496101550.db2.gz GWSOJNQZHKZARQ-UHFFFAOYSA-N 2 1 374.444 3.456 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709648 496166961 /nfs/dbraw/zinc/16/69/61/496166961.db2.gz YMZNQZVTUPHHRH-AZUAARDMSA-N 2 1 373.541 3.496 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2ccnc2)c1 ZINC000174942863 496174123 /nfs/dbraw/zinc/17/41/23/496174123.db2.gz RWPRUYWHRYNVJA-FQEVSTJZSA-N 2 1 374.488 3.466 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H](C)c1cccc(OC)c1 ZINC000172246215 496226563 /nfs/dbraw/zinc/22/65/63/496226563.db2.gz WEZXDEJROIOPGP-QGZVFWFLSA-N 2 1 361.530 3.067 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000571848913 505826912 /nfs/dbraw/zinc/82/69/12/505826912.db2.gz VXRGKNXVPSUQJA-DYXWJJEUSA-N 2 1 374.573 3.459 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000574685307 505831589 /nfs/dbraw/zinc/83/15/89/505831589.db2.gz XBODMCFBSUHGMQ-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1ccc(NCCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)[nH+]c1 ZINC000172400230 496282904 /nfs/dbraw/zinc/28/29/04/496282904.db2.gz UEFHDMTUPOQLAD-UHFFFAOYSA-N 2 1 352.482 3.218 20 0 FGADMP CN(CC[N@@H+](C)Cc1cccc(OC(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000569039148 505835492 /nfs/dbraw/zinc/83/54/92/505835492.db2.gz PQGIVQWBIPOSRM-UHFFFAOYSA-N 2 1 359.436 3.043 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172422958 496291500 /nfs/dbraw/zinc/29/15/00/496291500.db2.gz ZILRFPAGNLQMGU-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172422958 496291507 /nfs/dbraw/zinc/29/15/07/496291507.db2.gz ZILRFPAGNLQMGU-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172422958 496291515 /nfs/dbraw/zinc/29/15/15/496291515.db2.gz ZILRFPAGNLQMGU-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP CCCC[C@@H]([NH2+]C1CCN(C)CC1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000152915333 496293982 /nfs/dbraw/zinc/29/39/82/496293982.db2.gz FVYZPHMVORZSCK-OAQYLSRUSA-N 2 1 372.557 3.468 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]([NH+]4CCCC4)CC3)CC2)[nH+]c1 ZINC000172496000 496316677 /nfs/dbraw/zinc/31/66/77/496316677.db2.gz PRDLZVWANACUNE-HXUWFJFHSA-N 2 1 370.541 3.083 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162237878 496320012 /nfs/dbraw/zinc/32/00/12/496320012.db2.gz WBGRLVZPKLEXFG-MJGOQNOKSA-N 2 1 358.530 3.071 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)c1 ZINC000187206970 496339213 /nfs/dbraw/zinc/33/92/13/496339213.db2.gz JJOPOYSXCIUWLC-UHFFFAOYSA-N 2 1 351.494 3.337 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000162470050 496358104 /nfs/dbraw/zinc/35/81/04/496358104.db2.gz XBOBAKABPFSLPY-INMHGKMJSA-N 2 1 366.347 3.348 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000569053765 505839465 /nfs/dbraw/zinc/83/94/65/505839465.db2.gz HDPLNLAPRYQNFV-HXUWFJFHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[C@@H](C)NC(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000172623560 496367039 /nfs/dbraw/zinc/36/70/39/496367039.db2.gz PFKJMTWISFEFOO-IAGOWNOFSA-N 2 1 360.546 3.180 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187290883 496379274 /nfs/dbraw/zinc/37/92/74/496379274.db2.gz LIATVERUHKLUNA-CABCVRRESA-N 2 1 361.511 3.045 20 0 FGADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000580841092 505850491 /nfs/dbraw/zinc/85/04/91/505850491.db2.gz HSSZLMUJHVHOFH-INIZCTEOSA-N 2 1 374.447 3.109 20 0 FGADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000580841092 505850492 /nfs/dbraw/zinc/85/04/92/505850492.db2.gz HSSZLMUJHVHOFH-INIZCTEOSA-N 2 1 374.447 3.109 20 0 FGADMP CC(C)([NH3+])CC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000178705985 496547495 /nfs/dbraw/zinc/54/74/95/496547495.db2.gz JDQUMLVDDGCITJ-QGZVFWFLSA-N 2 1 357.523 3.091 20 0 FGADMP CC(C)([NH3+])CC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000178705985 496547499 /nfs/dbraw/zinc/54/74/99/496547499.db2.gz JDQUMLVDDGCITJ-QGZVFWFLSA-N 2 1 357.523 3.091 20 0 FGADMP Cc1ccc2nc(C[NH+]3CCC(CC[NH+]4C[C@@H](C)O[C@H](C)C4)CC3)cn2c1 ZINC000175797963 496549275 /nfs/dbraw/zinc/54/92/75/496549275.db2.gz YVSOBJFXTMACFZ-RTBURBONSA-N 2 1 370.541 3.354 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136786 496564910 /nfs/dbraw/zinc/56/49/10/496564910.db2.gz MULAYHLHGBZNNJ-HLIPFELVSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136786 496564916 /nfs/dbraw/zinc/56/49/16/496564916.db2.gz MULAYHLHGBZNNJ-HLIPFELVSA-N 2 1 374.529 3.026 20 0 FGADMP CC[C@@](C)([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(C)cs1 ZINC000184987635 496612589 /nfs/dbraw/zinc/61/25/89/496612589.db2.gz UHEDSKITQQVOSI-YLJYHZDGSA-N 2 1 374.554 3.085 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000153934402 496629264 /nfs/dbraw/zinc/62/92/64/496629264.db2.gz FOTCHHDLRWRHAI-CGXNFDGLSA-N 2 1 351.579 3.072 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000153934402 496629266 /nfs/dbraw/zinc/62/92/66/496629266.db2.gz FOTCHHDLRWRHAI-CGXNFDGLSA-N 2 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(OC(F)F)c(F)c2)C[C@H](C)O1 ZINC000178992819 496639064 /nfs/dbraw/zinc/63/90/64/496639064.db2.gz UHQUBVHLTHXQIA-OKILXGFUSA-N 2 1 360.420 3.406 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)CC1 ZINC000182037883 496644720 /nfs/dbraw/zinc/64/47/20/496644720.db2.gz NIOREBMSQNPIBB-HXUWFJFHSA-N 2 1 371.569 3.131 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000179015298 496646342 /nfs/dbraw/zinc/64/63/42/496646342.db2.gz DPEFMSKINHCSCZ-PMACEKPBSA-N 2 1 352.482 3.315 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158210629 496650918 /nfs/dbraw/zinc/65/09/18/496650918.db2.gz BYNKIZRFNWZJBM-HZPDHXFCSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185125020 496671097 /nfs/dbraw/zinc/67/10/97/496671097.db2.gz SRBWIKNHMIAAEG-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185125020 496671103 /nfs/dbraw/zinc/67/11/03/496671103.db2.gz SRBWIKNHMIAAEG-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185125020 496671111 /nfs/dbraw/zinc/67/11/11/496671111.db2.gz SRBWIKNHMIAAEG-SFHVURJKSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168588 496678089 /nfs/dbraw/zinc/67/80/89/496678089.db2.gz BNRNUWXKVZSLDK-STXHMFSFSA-N 2 1 351.485 3.248 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@H](C[NH3+])C3)cc2)C1 ZINC000580882052 505860466 /nfs/dbraw/zinc/86/04/66/505860466.db2.gz NZKHGSIFOUUGJD-LVCYWYKZSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H](c1ccc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1)[NH+]1CCOCC1 ZINC000167681163 496705313 /nfs/dbraw/zinc/70/53/13/496705313.db2.gz YXVAJBQVYVUITC-DLBZAZTESA-N 2 1 359.514 3.044 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000182270930 496724138 /nfs/dbraw/zinc/72/41/38/496724138.db2.gz SDQDTXYNEZCLDL-KXBFYZLASA-N 2 1 358.457 3.252 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182352404 496730977 /nfs/dbraw/zinc/73/09/77/496730977.db2.gz BNRDQUGKYKESNK-ROUUACIJSA-N 2 1 352.567 3.057 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCN(CC(F)(F)F)C1 ZINC000268748895 496772152 /nfs/dbraw/zinc/77/21/52/496772152.db2.gz BQNNFMYYMBYKAN-NEWSRXKRSA-N 2 1 369.475 3.371 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191493527 496781764 /nfs/dbraw/zinc/78/17/64/496781764.db2.gz YBRJYJXAZZQDLH-AWEZNQCLSA-N 2 1 363.531 3.258 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191493527 496781770 /nfs/dbraw/zinc/78/17/70/496781770.db2.gz YBRJYJXAZZQDLH-AWEZNQCLSA-N 2 1 363.531 3.258 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191493546 496781900 /nfs/dbraw/zinc/78/19/00/496781900.db2.gz YBRJYJXAZZQDLH-CQSZACIVSA-N 2 1 363.531 3.258 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1nc(C)c(C)s1 ZINC000191493546 496781910 /nfs/dbraw/zinc/78/19/10/496781910.db2.gz YBRJYJXAZZQDLH-CQSZACIVSA-N 2 1 363.531 3.258 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)(C)C ZINC000191492113 496782462 /nfs/dbraw/zinc/78/24/62/496782462.db2.gz UAXKAHVWJSTFID-JXFKEZNVSA-N 2 1 370.541 3.364 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)CC1 ZINC000268783325 496784794 /nfs/dbraw/zinc/78/47/94/496784794.db2.gz AKGSVJVTBKTCIJ-LJQANCHMSA-N 2 1 369.534 3.303 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[C@@H](C)C1 ZINC000247164991 496796555 /nfs/dbraw/zinc/79/65/55/496796555.db2.gz YALGRVYFCRVYEK-VDGAXYAQSA-N 2 1 365.949 3.033 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000268861202 496806841 /nfs/dbraw/zinc/80/68/41/496806841.db2.gz FESBWJFRNBHUEX-MRXNPFEDSA-N 2 1 361.486 3.356 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nnn(-c2cccc(Cl)c2)c1C ZINC000268890656 496814771 /nfs/dbraw/zinc/81/47/71/496814771.db2.gz UOAMZQFVVFMOKI-CYBMUJFWSA-N 2 1 358.877 3.475 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000191567773 496815791 /nfs/dbraw/zinc/81/57/91/496815791.db2.gz PYRSGOXCMNCNLN-HSZRJFAPSA-N 2 1 370.512 3.334 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320811 496833847 /nfs/dbraw/zinc/83/38/47/496833847.db2.gz HZVIITUKNYLBMS-GHTZIAJQSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320811 496833854 /nfs/dbraw/zinc/83/38/54/496833854.db2.gz HZVIITUKNYLBMS-GHTZIAJQSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320811 496833858 /nfs/dbraw/zinc/83/38/58/496833858.db2.gz HZVIITUKNYLBMS-GHTZIAJQSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2ccnc2C)C1 ZINC000247370814 496845639 /nfs/dbraw/zinc/84/56/39/496845639.db2.gz FATMIALSCXDFQC-WMZOPIPTSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000247370814 496845645 /nfs/dbraw/zinc/84/56/45/496845645.db2.gz FATMIALSCXDFQC-WMZOPIPTSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000247370814 496845652 /nfs/dbraw/zinc/84/56/52/496845652.db2.gz FATMIALSCXDFQC-WMZOPIPTSA-N 2 1 363.550 3.027 20 0 FGADMP C[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247479775 496868553 /nfs/dbraw/zinc/86/85/53/496868553.db2.gz JGERSMHFWKRSNY-XMTFNYHQSA-N 2 1 359.514 3.280 20 0 FGADMP C[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247479775 496868558 /nfs/dbraw/zinc/86/85/58/496868558.db2.gz JGERSMHFWKRSNY-XMTFNYHQSA-N 2 1 359.514 3.280 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000269258906 496905796 /nfs/dbraw/zinc/90/57/96/496905796.db2.gz LKYRCCYUMRGBNK-RPHTVSPISA-N 2 1 365.521 3.349 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000248025636 496943831 /nfs/dbraw/zinc/94/38/31/496943831.db2.gz OTIRCGFGLOGVFS-FRFSOERESA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC[C@H]21 ZINC000248025636 496943835 /nfs/dbraw/zinc/94/38/35/496943835.db2.gz OTIRCGFGLOGVFS-FRFSOERESA-N 2 1 373.324 3.149 20 0 FGADMP C[C@@H](NCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000248044535 496947810 /nfs/dbraw/zinc/94/78/10/496947810.db2.gz UNNYWSLGNPTHHE-HUUCEWRRSA-N 2 1 356.507 3.144 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000248158677 496965713 /nfs/dbraw/zinc/96/57/13/496965713.db2.gz RTLXWWHRCSXNDI-YOUFYPILSA-N 2 1 359.558 3.205 20 0 FGADMP CCc1ccccc1C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000188996856 496972878 /nfs/dbraw/zinc/97/28/78/496972878.db2.gz NRQIFBRLJNGQOM-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000192062248 496981811 /nfs/dbraw/zinc/98/18/11/496981811.db2.gz DEWCIDZNWBRELE-SXLOBPIMSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000192062248 496981816 /nfs/dbraw/zinc/98/18/16/496981816.db2.gz DEWCIDZNWBRELE-SXLOBPIMSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062248 496981820 /nfs/dbraw/zinc/98/18/20/496981820.db2.gz DEWCIDZNWBRELE-SXLOBPIMSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062248 496981824 /nfs/dbraw/zinc/98/18/24/496981824.db2.gz DEWCIDZNWBRELE-SXLOBPIMSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000192062253 496982420 /nfs/dbraw/zinc/98/24/20/496982420.db2.gz DEWCIDZNWBRELE-HOJAQTOUSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000192062253 496982424 /nfs/dbraw/zinc/98/24/24/496982424.db2.gz DEWCIDZNWBRELE-HOJAQTOUSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062253 496982428 /nfs/dbraw/zinc/98/24/28/496982428.db2.gz DEWCIDZNWBRELE-HOJAQTOUSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062253 496982431 /nfs/dbraw/zinc/98/24/31/496982431.db2.gz DEWCIDZNWBRELE-HOJAQTOUSA-N 2 1 356.510 3.457 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000269730404 496995913 /nfs/dbraw/zinc/99/59/13/496995913.db2.gz YHNRKMPSZRTODC-MSOLQXFVSA-N 2 1 369.509 3.058 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)c1ccccc1 ZINC000248404505 496998901 /nfs/dbraw/zinc/99/89/01/496998901.db2.gz QEYZKFXXAQITJZ-LMNJBCLMSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248404505 496998905 /nfs/dbraw/zinc/99/89/05/496998905.db2.gz QEYZKFXXAQITJZ-LMNJBCLMSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248404505 496998908 /nfs/dbraw/zinc/99/89/08/496998908.db2.gz QEYZKFXXAQITJZ-LMNJBCLMSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000192114090 496999010 /nfs/dbraw/zinc/99/90/10/496999010.db2.gz NFFZIDYNESCQCH-VXGBXAGGSA-N 2 1 358.313 3.057 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000248618183 497059262 /nfs/dbraw/zinc/05/92/62/497059262.db2.gz LCUBXFOVZROSRL-WMLDXEAASA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000248618183 497059267 /nfs/dbraw/zinc/05/92/67/497059267.db2.gz LCUBXFOVZROSRL-WMLDXEAASA-N 2 1 370.335 3.071 20 0 FGADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Cl)cc2F)c1 ZINC000189310827 497078260 /nfs/dbraw/zinc/07/82/60/497078260.db2.gz QNRMTHODGHONMO-UHFFFAOYSA-N 2 1 363.864 3.060 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248710351 497084549 /nfs/dbraw/zinc/08/45/49/497084549.db2.gz PYVQPXFXAMSZML-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372959 497092402 /nfs/dbraw/zinc/09/24/02/497092402.db2.gz CJBJKTASECHUMM-OXJNMPFZSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390114 497098099 /nfs/dbraw/zinc/09/80/99/497098099.db2.gz ITUBEMIFWIHMPM-CTNGQTDRSA-N 2 1 353.510 3.004 20 0 FGADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1Cc1cccc(C[N@@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)c1 ZINC000248828679 497112900 /nfs/dbraw/zinc/11/29/00/497112900.db2.gz KYCGOZJJIXMIQK-VKFKGBHESA-N 2 1 360.542 3.154 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)c1 ZINC000192550186 497147450 /nfs/dbraw/zinc/14/74/50/497147450.db2.gz JQXFFXVOFVQTSV-UHFFFAOYSA-N 2 1 355.507 3.342 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)C1 ZINC000249031838 497151187 /nfs/dbraw/zinc/15/11/87/497151187.db2.gz RIIZVJIKIYXPDJ-QUCCMNQESA-N 2 1 367.493 3.144 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000236845957 497155295 /nfs/dbraw/zinc/15/52/95/497155295.db2.gz WVKZYXFXQUMTRK-FUHWJXTLSA-N 2 1 371.447 3.075 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000236903718 497165732 /nfs/dbraw/zinc/16/57/32/497165732.db2.gz JRKPMAMXBSMTOU-UNMCSNQZSA-N 2 1 365.521 3.100 20 0 FGADMP CCN1CCC([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000236919775 497168658 /nfs/dbraw/zinc/16/86/58/497168658.db2.gz NFIMTIGNNAIBLB-UHFFFAOYSA-N 2 1 355.482 3.243 20 0 FGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OCc3cccnc3)c2)CC1 ZINC000236919775 497168663 /nfs/dbraw/zinc/16/86/63/497168663.db2.gz NFIMTIGNNAIBLB-UHFFFAOYSA-N 2 1 355.482 3.243 20 0 FGADMP CCCOc1c(Br)cc(CNC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000236991996 497177773 /nfs/dbraw/zinc/17/77/73/497177773.db2.gz NBTISRUKJIQNEL-AWEZNQCLSA-N 2 1 371.319 3.430 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249393343 497197355 /nfs/dbraw/zinc/19/73/55/497197355.db2.gz SCLRCRBVANOLMM-OKZBNKHCSA-N 2 1 356.432 3.464 20 0 FGADMP O=C(OCc1ccccc1)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000192875001 497235457 /nfs/dbraw/zinc/23/54/57/497235457.db2.gz XEBSFVRCKSYISJ-UHFFFAOYSA-N 2 1 357.498 3.004 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000192929279 497249782 /nfs/dbraw/zinc/24/97/82/497249782.db2.gz IVKGKDJOHYTPGC-GOSISDBHSA-N 2 1 370.493 3.324 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000192929279 497249787 /nfs/dbraw/zinc/24/97/87/497249787.db2.gz IVKGKDJOHYTPGC-GOSISDBHSA-N 2 1 370.493 3.324 20 0 FGADMP C[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237568103 497256802 /nfs/dbraw/zinc/25/68/02/497256802.db2.gz ZMVYGXUBSUSSEE-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP O[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccc(F)cc1F ZINC000278968351 497285948 /nfs/dbraw/zinc/28/59/48/497285948.db2.gz XMVAMLPIXBLOLB-LJQANCHMSA-N 2 1 361.436 3.411 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000252007106 497294050 /nfs/dbraw/zinc/29/40/50/497294050.db2.gz XWVMPXZMLUZFNB-SYYKKAFVSA-N 2 1 372.557 3.023 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237836578 497299690 /nfs/dbraw/zinc/29/96/90/497299690.db2.gz LNLQXRMKPLEKHS-NRFANRHFSA-N 2 1 373.516 3.171 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237836578 497299693 /nfs/dbraw/zinc/29/96/93/497299693.db2.gz LNLQXRMKPLEKHS-NRFANRHFSA-N 2 1 373.516 3.171 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193207042 497323842 /nfs/dbraw/zinc/32/38/42/497323842.db2.gz BEUCHDBQAWWQCH-KRWDZBQOSA-N 2 1 369.490 3.260 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COCc3cccs3)C2)CC1 ZINC000253359978 497328594 /nfs/dbraw/zinc/32/85/94/497328594.db2.gz WJWDOQCVEKZPPF-RBUKOAKNSA-N 2 1 366.571 3.070 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COCc3cccs3)C2)CC1 ZINC000253359978 497328600 /nfs/dbraw/zinc/32/86/00/497328600.db2.gz WJWDOQCVEKZPPF-RBUKOAKNSA-N 2 1 366.571 3.070 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000271426017 497345596 /nfs/dbraw/zinc/34/55/96/497345596.db2.gz AGUNTRRCXAJDAZ-NRSPTQNISA-N 2 1 350.510 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000271426017 497345601 /nfs/dbraw/zinc/34/56/01/497345601.db2.gz AGUNTRRCXAJDAZ-NRSPTQNISA-N 2 1 350.510 3.161 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271483891 497360845 /nfs/dbraw/zinc/36/08/45/497360845.db2.gz KWYOUIRVLFLHLL-ICSRJNTNSA-N 2 1 369.509 3.208 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271483891 497360850 /nfs/dbraw/zinc/36/08/50/497360850.db2.gz KWYOUIRVLFLHLL-ICSRJNTNSA-N 2 1 369.509 3.208 20 0 FGADMP CC[NH+](CC)CCCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000193459093 497385661 /nfs/dbraw/zinc/38/56/61/497385661.db2.gz LBWRQTYNHKQZQM-UHFFFAOYSA-N 2 1 353.938 3.068 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728550 497415200 /nfs/dbraw/zinc/41/52/00/497415200.db2.gz ZOTCEWDBMAQDMQ-PBASOCQRSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728550 497415205 /nfs/dbraw/zinc/41/52/05/497415205.db2.gz ZOTCEWDBMAQDMQ-PBASOCQRSA-N 2 1 368.525 3.283 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261626343 497422310 /nfs/dbraw/zinc/42/23/10/497422310.db2.gz GSPIFMSELBLGGN-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261626343 497422311 /nfs/dbraw/zinc/42/23/11/497422311.db2.gz GSPIFMSELBLGGN-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc4c3NCC4)CC2)CC1 ZINC000261656239 497428752 /nfs/dbraw/zinc/42/87/52/497428752.db2.gz BHVQWGKWVHWQBJ-UHFFFAOYSA-N 3 1 370.585 3.283 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2c1NCC2 ZINC000261656239 497428753 /nfs/dbraw/zinc/42/87/53/497428753.db2.gz BHVQWGKWVHWQBJ-UHFFFAOYSA-N 3 1 370.585 3.283 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261754399 497445773 /nfs/dbraw/zinc/44/57/73/497445773.db2.gz NGPBVFHUCFETES-GHTZIAJQSA-N 2 1 365.521 3.089 20 0 FGADMP Brc1cccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCOCC2)c1 ZINC000261773861 497448472 /nfs/dbraw/zinc/44/84/72/497448472.db2.gz DWIPUBFZHQSLNR-UHFFFAOYSA-N 2 1 367.331 3.430 20 0 FGADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OCC(F)(F)F ZINC000271785282 497449206 /nfs/dbraw/zinc/44/92/06/497449206.db2.gz FLBUWNLCZOIQFV-UHFFFAOYSA-N 2 1 358.404 3.378 20 0 FGADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000190456560 497485885 /nfs/dbraw/zinc/48/58/85/497485885.db2.gz XEYFURRSOVBCRY-INIZCTEOSA-N 2 1 355.511 3.282 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262133715 497513440 /nfs/dbraw/zinc/51/34/40/497513440.db2.gz NIFPJJNSWDWYIC-GHTZIAJQSA-N 2 1 371.550 3.481 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262133715 497513445 /nfs/dbraw/zinc/51/34/45/497513445.db2.gz NIFPJJNSWDWYIC-GHTZIAJQSA-N 2 1 371.550 3.481 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000578312768 505911743 /nfs/dbraw/zinc/91/17/43/505911743.db2.gz NVJKUVXSWGPPHP-AQKFKSFVSA-N 2 1 368.525 3.116 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000262180468 497519961 /nfs/dbraw/zinc/51/99/61/497519961.db2.gz RVJGHGXITILJGS-RTBURBONSA-N 2 1 369.534 3.106 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000262180468 497519967 /nfs/dbraw/zinc/51/99/67/497519967.db2.gz RVJGHGXITILJGS-RTBURBONSA-N 2 1 369.534 3.106 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740173 497523309 /nfs/dbraw/zinc/52/33/09/497523309.db2.gz RLFAQAZIBYGAQC-WJMWBRGCSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740173 497523312 /nfs/dbraw/zinc/52/33/12/497523312.db2.gz RLFAQAZIBYGAQC-WJMWBRGCSA-N 2 1 355.526 3.173 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190592240 497536923 /nfs/dbraw/zinc/53/69/23/497536923.db2.gz DABDGZSIQXHIPQ-MRXNPFEDSA-N 2 1 373.360 3.398 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759902 497531452 /nfs/dbraw/zinc/53/14/52/497531452.db2.gz VKQQDVNHMYMNAX-GPJHCHHRSA-N 2 1 371.569 3.128 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245917123 497570002 /nfs/dbraw/zinc/57/00/02/497570002.db2.gz LDXNMQYVUMPWRJ-RTWAWAEBSA-N 2 1 355.526 3.128 20 0 FGADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000569357225 505916362 /nfs/dbraw/zinc/91/63/62/505916362.db2.gz AGHHJERAPGQOKR-OVQGTLEDSA-N 2 1 357.542 3.169 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262676514 497597786 /nfs/dbraw/zinc/59/77/86/497597786.db2.gz SOVBVZNYXKSMGC-OGAVPMENSA-N 2 1 369.553 3.419 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]([NH3+])c1ccccc1 ZINC000262677349 497597854 /nfs/dbraw/zinc/59/78/54/497597854.db2.gz UNQGDWOERATGLM-UTKZUKDTSA-N 2 1 365.521 3.276 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578336053 505917606 /nfs/dbraw/zinc/91/76/06/505917606.db2.gz CMXOBIXTWAHMCJ-FQEVSTJZSA-N 2 1 360.546 3.011 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nc(-c3ccccc3)c[nH]2)c1 ZINC000194242195 497612111 /nfs/dbraw/zinc/61/21/11/497612111.db2.gz SAFVUHRYKSBCQH-UHFFFAOYSA-N 2 1 350.466 3.307 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(S(C)(=O)=O)cc2)cc1 ZINC000267936066 497641784 /nfs/dbraw/zinc/64/17/84/497641784.db2.gz OGKQRGJFVYDMIT-OAHLLOKOSA-N 2 1 369.490 3.435 20 0 FGADMP C[C@@]1(O)CCC[N@@H+](Cc2cccc(C[NH+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000280088616 497645218 /nfs/dbraw/zinc/64/52/18/497645218.db2.gz OGOXFUOELVDVHI-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000280088616 497645223 /nfs/dbraw/zinc/64/52/23/497645223.db2.gz OGOXFUOELVDVHI-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000280088616 497645227 /nfs/dbraw/zinc/64/52/27/497645227.db2.gz OGOXFUOELVDVHI-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000246206007 497660662 /nfs/dbraw/zinc/66/06/62/497660662.db2.gz NHEGHOUCFCYYOD-RCCFBDPRSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000246278417 497680540 /nfs/dbraw/zinc/68/05/40/497680540.db2.gz MHZNEGNRDOVNAB-MLZLACJZSA-N 2 1 355.526 3.076 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246312998 497692208 /nfs/dbraw/zinc/69/22/08/497692208.db2.gz BMJHUNASDHWWHL-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246312998 497692213 /nfs/dbraw/zinc/69/22/13/497692213.db2.gz BMJHUNASDHWWHL-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@@H](C)C1 ZINC000246312998 497692220 /nfs/dbraw/zinc/69/22/20/497692220.db2.gz BMJHUNASDHWWHL-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272730603 497715081 /nfs/dbraw/zinc/71/50/81/497715081.db2.gz ZRHSHRQBIXVHEK-FQUXPLTJSA-N 2 1 369.553 3.324 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1Cl ZINC000277046026 497725551 /nfs/dbraw/zinc/72/55/51/497725551.db2.gz CCEMYGMPFRUOTE-OAHLLOKOSA-N 2 1 353.894 3.093 20 0 FGADMP CC(=O)c1ccc(NC(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246423526 497729488 /nfs/dbraw/zinc/72/94/88/497729488.db2.gz CGIFGKQXOYPLJX-RXVVDRJESA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246423526 497729490 /nfs/dbraw/zinc/72/94/90/497729490.db2.gz CGIFGKQXOYPLJX-RXVVDRJESA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246423526 497729495 /nfs/dbraw/zinc/72/94/95/497729495.db2.gz CGIFGKQXOYPLJX-RXVVDRJESA-N 2 1 369.509 3.167 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246434039 497733810 /nfs/dbraw/zinc/73/38/10/497733810.db2.gz HDSLNCVXMCLCNU-NSHGMRRFSA-N 2 1 360.546 3.069 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246503575 497756401 /nfs/dbraw/zinc/75/64/01/497756401.db2.gz SSZNSNGFPHGYGN-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246529569 497764860 /nfs/dbraw/zinc/76/48/60/497764860.db2.gz JIHWEJRNXFKYCO-NDXORKPFSA-N 2 1 371.500 3.094 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260704 497790031 /nfs/dbraw/zinc/79/00/31/497790031.db2.gz QYMULSVJBVWYPZ-CQSZACIVSA-N 2 1 368.319 3.194 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000246729799 497805154 /nfs/dbraw/zinc/80/51/54/497805154.db2.gz MULAYHLHGBZNNJ-UWVAXJGDSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000246729799 497805156 /nfs/dbraw/zinc/80/51/56/497805156.db2.gz MULAYHLHGBZNNJ-UWVAXJGDSA-N 2 1 374.529 3.026 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)[C@@H]1c1cccs1 ZINC000246729273 497805271 /nfs/dbraw/zinc/80/52/71/497805271.db2.gz YDVQGKHRZROMCK-NSISKUIASA-N 2 1 369.534 3.134 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246833022 497814797 /nfs/dbraw/zinc/81/47/97/497814797.db2.gz OHEWOMSQVOCPRP-RCZSKKKRSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246833022 497814799 /nfs/dbraw/zinc/81/47/99/497814799.db2.gz OHEWOMSQVOCPRP-RCZSKKKRSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246833022 497814801 /nfs/dbraw/zinc/81/48/01/497814801.db2.gz OHEWOMSQVOCPRP-RCZSKKKRSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246833022 497814802 /nfs/dbraw/zinc/81/48/02/497814802.db2.gz OHEWOMSQVOCPRP-RCZSKKKRSA-N 2 1 369.553 3.372 20 0 FGADMP Cc1cn2c(n1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000364242263 497857996 /nfs/dbraw/zinc/85/79/96/497857996.db2.gz GNECIWDUYIEPCB-XSDIEEQYSA-N 2 1 350.510 3.292 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000280771752 497892467 /nfs/dbraw/zinc/89/24/67/497892467.db2.gz FDZYGPUQLYIALU-ZHALLVOQSA-N 2 1 364.530 3.022 20 0 FGADMP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357378 497916999 /nfs/dbraw/zinc/91/69/99/497916999.db2.gz RMQPRXLNLIHJDV-LAUBAEHRSA-N 2 1 350.510 3.397 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000578475934 505948688 /nfs/dbraw/zinc/94/86/88/505948688.db2.gz PPLOPRRNERMYEV-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000292241408 497936374 /nfs/dbraw/zinc/93/63/74/497936374.db2.gz UXRVMHWMOHULQV-KRWDZBQOSA-N 2 1 364.534 3.006 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500165 505955320 /nfs/dbraw/zinc/95/53/20/505955320.db2.gz OWLUARAZEXLYLO-PKTZIBPZSA-N 2 1 352.522 3.482 20 0 FGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077377 498011782 /nfs/dbraw/zinc/01/17/82/498011782.db2.gz UFBKNOOEYUJCNG-AFYVEPGGSA-N 2 1 354.498 3.419 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCOC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000296398027 498027168 /nfs/dbraw/zinc/02/71/68/498027168.db2.gz LKGXTGHLQZBPSR-SFTDATJTSA-N 2 1 357.542 3.057 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289146856 498035018 /nfs/dbraw/zinc/03/50/18/498035018.db2.gz FYZDSRTXNQWECB-MJGOQNOKSA-N 2 1 370.497 3.471 20 0 FGADMP CC[NH+](CC)Cc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000292664402 498100272 /nfs/dbraw/zinc/10/02/72/498100272.db2.gz QBAINMVXPYQQOC-UHFFFAOYSA-N 2 1 356.470 3.365 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000581403061 505980280 /nfs/dbraw/zinc/98/02/80/505980280.db2.gz ZCQPLXDXDVAXFE-JFIYKMOQSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000581403061 505980282 /nfs/dbraw/zinc/98/02/82/505980282.db2.gz ZCQPLXDXDVAXFE-JFIYKMOQSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000581403061 505980286 /nfs/dbraw/zinc/98/02/86/505980286.db2.gz ZCQPLXDXDVAXFE-JFIYKMOQSA-N 2 1 366.575 3.159 20 0 FGADMP C[N@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285537485 498121098 /nfs/dbraw/zinc/12/10/98/498121098.db2.gz PQEQHNCAVQBDNV-YOFSQIOKSA-N 2 1 367.493 3.267 20 0 FGADMP C[N@@H+](Cc1cccc(C(=O)NCc2ccco2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285537485 498121102 /nfs/dbraw/zinc/12/11/02/498121102.db2.gz PQEQHNCAVQBDNV-YOFSQIOKSA-N 2 1 367.493 3.267 20 0 FGADMP C[NH+](Cc1cccc(C(=O)NCc2ccco2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285537485 498121106 /nfs/dbraw/zinc/12/11/06/498121106.db2.gz PQEQHNCAVQBDNV-YOFSQIOKSA-N 2 1 367.493 3.267 20 0 FGADMP C[NH+](Cc1cccc(C(=O)NCc2ccco2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285537485 498121108 /nfs/dbraw/zinc/12/11/08/498121108.db2.gz PQEQHNCAVQBDNV-YOFSQIOKSA-N 2 1 367.493 3.267 20 0 FGADMP CC(C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000569674452 505989904 /nfs/dbraw/zinc/98/99/04/505989904.db2.gz PZCBPNCCEAZIPN-QFIPXVFZSA-N 2 1 369.553 3.060 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532550 505991013 /nfs/dbraw/zinc/99/10/13/505991013.db2.gz UCOVTUZURLPQQY-KZNAEPCWSA-N 2 1 371.525 3.302 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532550 505991014 /nfs/dbraw/zinc/99/10/14/505991014.db2.gz UCOVTUZURLPQQY-KZNAEPCWSA-N 2 1 371.525 3.302 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@H]2CCn3ccnc32)c1 ZINC000296763281 498185968 /nfs/dbraw/zinc/18/59/68/498185968.db2.gz KEIIKVYBJXIIMO-PBHICJAKSA-N 2 1 371.460 3.392 20 0 FGADMP C[C@@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@H]2CCn3ccnc32)c1 ZINC000296763281 498185971 /nfs/dbraw/zinc/18/59/71/498185971.db2.gz KEIIKVYBJXIIMO-PBHICJAKSA-N 2 1 371.460 3.392 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569693485 505995331 /nfs/dbraw/zinc/99/53/31/505995331.db2.gz OILITPWIXBYUKD-CABCVRRESA-N 2 1 372.465 3.050 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000569701030 505996851 /nfs/dbraw/zinc/99/68/51/505996851.db2.gz QJBPXSUOFMEZEE-VXKWHMMOSA-N 2 1 363.505 3.458 20 0 FGADMP COC(=O)c1cccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566007 505999011 /nfs/dbraw/zinc/99/90/11/505999011.db2.gz VOFDABLFBVUQJN-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566007 505999015 /nfs/dbraw/zinc/99/90/15/505999015.db2.gz VOFDABLFBVUQJN-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566007 505999018 /nfs/dbraw/zinc/99/90/18/505999018.db2.gz VOFDABLFBVUQJN-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566007 505999020 /nfs/dbraw/zinc/99/90/20/505999020.db2.gz VOFDABLFBVUQJN-YADHBBJMSA-N 2 1 364.489 3.427 20 0 FGADMP CC[NH+]1CCN(CCC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000285887202 498230733 /nfs/dbraw/zinc/23/07/33/498230733.db2.gz ZUKGSOZOJFBREO-UHFFFAOYSA-N 3 1 372.601 3.047 20 0 FGADMP CC[C@H](C)[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360465223 498276987 /nfs/dbraw/zinc/27/69/87/498276987.db2.gz DUTNKECNBNFHJD-ZWKOTPCHSA-N 2 1 351.579 3.323 20 0 FGADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578745250 506011243 /nfs/dbraw/zinc/01/12/43/506011243.db2.gz LSRGCDKXTLJGSH-IUODEOHRSA-N 2 1 370.324 3.072 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289799210 498299358 /nfs/dbraw/zinc/29/93/58/498299358.db2.gz SFKRKEFFPMAKGP-NRDMVMEKSA-N 2 1 368.525 3.233 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000569810640 506021438 /nfs/dbraw/zinc/02/14/38/506021438.db2.gz NFZGDYZCQXJCDB-UHFFFAOYSA-N 2 1 368.312 3.396 20 0 FGADMP Cn1ccnc1[C@H]1N(C(=O)c2ccc(Nc3ccncc3)cc2)CC1(C)C ZINC000581589793 506022051 /nfs/dbraw/zinc/02/20/51/506022051.db2.gz MVOVXUSRWLHNFW-GOSISDBHSA-N 2 1 361.449 3.204 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578806398 506024837 /nfs/dbraw/zinc/02/48/37/506024837.db2.gz OPXSPOLXWYGATM-CUWPLCDZSA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826219 506025947 /nfs/dbraw/zinc/02/59/47/506025947.db2.gz RJHWYSJMMUMGHR-QAPCUYQASA-N 2 1 371.447 3.203 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000286477715 498410474 /nfs/dbraw/zinc/41/04/74/498410474.db2.gz VAWIBXWBDKBEHQ-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000569846275 506029676 /nfs/dbraw/zinc/02/96/76/506029676.db2.gz HQDQXWGNNBYNQP-RBUKOAKNSA-N 2 1 372.557 3.243 20 0 FGADMP COCc1ccccc1NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000361785040 498430651 /nfs/dbraw/zinc/43/06/51/498430651.db2.gz RDKJJNRZPUBEPU-GOSISDBHSA-N 2 1 367.497 3.076 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cnn1C(C)C ZINC000290203930 498463304 /nfs/dbraw/zinc/46/33/04/498463304.db2.gz GWRLOBRXWKROQV-MRXNPFEDSA-N 2 1 359.518 3.349 20 0 FGADMP CC(C)(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000578862833 506039938 /nfs/dbraw/zinc/03/99/38/506039938.db2.gz AGKUHXJBVACRFI-NRFANRHFSA-N 2 1 365.521 3.447 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000362641817 498530557 /nfs/dbraw/zinc/53/05/57/498530557.db2.gz SAGQDIOSLDAPDH-UHFFFAOYSA-N 2 1 358.530 3.348 20 0 FGADMP CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(-n2ccnc2)cc1 ZINC000282505943 498538009 /nfs/dbraw/zinc/53/80/09/498538009.db2.gz OATDOFSQOMTFNA-UHFFFAOYSA-N 2 1 354.479 3.072 20 0 FGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921155 506051947 /nfs/dbraw/zinc/05/19/47/506051947.db2.gz LMIBHEJEMUNLNW-NQIIRXRSSA-N 2 1 357.542 3.339 20 0 FGADMP c1[nH]c2nccnc2c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365671129 498590260 /nfs/dbraw/zinc/59/02/60/498590260.db2.gz YQXAFYKVPWIXKM-UHFFFAOYSA-N 2 1 361.493 3.398 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3sc(Br)cc32)CC1(C)C ZINC000294120430 498594711 /nfs/dbraw/zinc/59/47/11/498594711.db2.gz KRKOZNDTYHUMTD-ZDUSSCGKSA-N 2 1 372.376 3.114 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCc1cccnc1 ZINC000363001969 498599028 /nfs/dbraw/zinc/59/90/28/498599028.db2.gz XDLMCWDBUNRPTF-WOJBJXKFSA-N 2 1 367.493 3.386 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCc1cccnc1 ZINC000363001969 498599033 /nfs/dbraw/zinc/59/90/33/498599033.db2.gz XDLMCWDBUNRPTF-WOJBJXKFSA-N 2 1 367.493 3.386 20 0 FGADMP Cc1cnn(CCCCC[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000363044156 498619708 /nfs/dbraw/zinc/61/97/08/498619708.db2.gz MLLYRVMYVSWXHV-UHFFFAOYSA-N 2 1 370.545 3.369 20 0 FGADMP Cc1cnn(CCCCC[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000363044156 498619712 /nfs/dbraw/zinc/61/97/12/498619712.db2.gz MLLYRVMYVSWXHV-UHFFFAOYSA-N 2 1 370.545 3.369 20 0 FGADMP CC(=O)Nc1cccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000363044570 498620061 /nfs/dbraw/zinc/62/00/61/498620061.db2.gz STBVTHOTHCIZII-UHFFFAOYSA-N 2 1 367.497 3.153 20 0 FGADMP CC(=O)Nc1cccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000363044570 498620068 /nfs/dbraw/zinc/62/00/68/498620068.db2.gz STBVTHOTHCIZII-UHFFFAOYSA-N 2 1 367.497 3.153 20 0 FGADMP C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000572852826 506067776 /nfs/dbraw/zinc/06/77/76/506067776.db2.gz OLTKBXJMLNZISP-DOTOQJQBSA-N 2 1 360.527 3.239 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122899 498661827 /nfs/dbraw/zinc/66/18/27/498661827.db2.gz VBMAGGYLLPKUAQ-UWJYYQICSA-N 2 1 372.534 3.090 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122899 498661833 /nfs/dbraw/zinc/66/18/33/498661833.db2.gz VBMAGGYLLPKUAQ-UWJYYQICSA-N 2 1 372.534 3.090 20 0 FGADMP O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000303987680 498733212 /nfs/dbraw/zinc/73/32/12/498733212.db2.gz LYOSIEWEFOKDMI-WOJBJXKFSA-N 2 1 357.498 3.004 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000290952805 498734620 /nfs/dbraw/zinc/73/46/20/498734620.db2.gz QFJNCMOCILOHLS-UHFFFAOYSA-N 2 1 373.545 3.054 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000576119668 506081625 /nfs/dbraw/zinc/08/16/25/506081625.db2.gz NKVAOKMGWIVOJC-SFHVURJKSA-N 2 1 367.415 3.363 20 0 FGADMP c1cn2cc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)nc2s1 ZINC000311230431 498750753 /nfs/dbraw/zinc/75/07/53/498750753.db2.gz QXNLWKBXCTVJFY-MSOLQXFVSA-N 2 1 352.507 3.350 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424428 498752285 /nfs/dbraw/zinc/75/22/85/498752285.db2.gz FQZZBEBSUQEYHA-RTBURBONSA-N 2 1 374.912 3.191 20 0 FGADMP C[C@@H](NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000363308279 498754438 /nfs/dbraw/zinc/75/44/38/498754438.db2.gz BJGGODRZIIZRPG-GOSISDBHSA-N 2 1 372.557 3.243 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312112565 498758801 /nfs/dbraw/zinc/75/88/01/498758801.db2.gz NBVLUUDFWBNLHU-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312112565 498758804 /nfs/dbraw/zinc/75/88/04/498758804.db2.gz NBVLUUDFWBNLHU-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312112565 498758808 /nfs/dbraw/zinc/75/88/08/498758808.db2.gz NBVLUUDFWBNLHU-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312112565 498758809 /nfs/dbraw/zinc/75/88/09/498758809.db2.gz NBVLUUDFWBNLHU-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851487 498764630 /nfs/dbraw/zinc/76/46/30/498764630.db2.gz GHHKCDAJINKJOQ-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851487 498764637 /nfs/dbraw/zinc/76/46/37/498764637.db2.gz GHHKCDAJINKJOQ-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000312851487 498764643 /nfs/dbraw/zinc/76/46/43/498764643.db2.gz GHHKCDAJINKJOQ-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP FC(F)(F)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000287569094 498799856 /nfs/dbraw/zinc/79/98/56/498799856.db2.gz GRFOYQNJAKVXKS-ZWKOTPCHSA-N 2 1 356.432 3.393 20 0 FGADMP OC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287692506 498839197 /nfs/dbraw/zinc/83/91/97/498839197.db2.gz WTLMVABSGNTKKF-BHDDXSALSA-N 2 1 372.553 3.198 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000366254513 498843831 /nfs/dbraw/zinc/84/38/31/498843831.db2.gz IHLGJPDIILQBKA-LJQANCHMSA-N 2 1 351.494 3.000 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000579125620 506100011 /nfs/dbraw/zinc/10/00/11/506100011.db2.gz OFZWSSOAAUJYQV-SFHVURJKSA-N 2 1 371.569 3.469 20 0 FGADMP COCc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363510384 498854677 /nfs/dbraw/zinc/85/46/77/498854677.db2.gz OCMYDPABAAFFIM-UHFFFAOYSA-N 3 1 373.585 3.461 20 0 FGADMP COCc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000363510384 498854681 /nfs/dbraw/zinc/85/46/81/498854681.db2.gz OCMYDPABAAFFIM-UHFFFAOYSA-N 3 1 373.585 3.461 20 0 FGADMP COCc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000363510384 498854686 /nfs/dbraw/zinc/85/46/86/498854686.db2.gz OCMYDPABAAFFIM-UHFFFAOYSA-N 3 1 373.585 3.461 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ncn1 ZINC000332991910 498860797 /nfs/dbraw/zinc/86/07/97/498860797.db2.gz ABWTWSXDYPNQRM-NTLWEQJWSA-N 2 1 373.545 3.013 20 0 FGADMP CC[NH2+]CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000581944396 506096062 /nfs/dbraw/zinc/09/60/62/506096062.db2.gz PFHADXMUMNAQQL-KRWDZBQOSA-N 2 1 370.324 3.420 20 0 FGADMP C[C@@H]([N@@H+](C)Cc1ccc(F)c(C[NH+](C)[C@@H](C)C(C)(C)O)c1)C(C)(C)O ZINC000295091955 498905832 /nfs/dbraw/zinc/90/58/32/498905832.db2.gz FJTFAYAOTWRWNN-CABCVRRESA-N 2 1 354.510 3.008 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000576240184 506111228 /nfs/dbraw/zinc/11/12/28/506111228.db2.gz UTCPEICZAXYKME-GOSISDBHSA-N 2 1 353.510 3.041 20 0 FGADMP Cc1nc(CN2CCC[N@@H+](CCN(C)Cc3ccc(F)cc3)CC2)oc1C ZINC000363700695 498950099 /nfs/dbraw/zinc/95/00/99/498950099.db2.gz LIEZAIQYGHWRRA-UHFFFAOYSA-N 2 1 374.504 3.070 20 0 FGADMP Cc1nc(CN2CCC[N@H+](CCN(C)Cc3ccc(F)cc3)CC2)oc1C ZINC000363700695 498950100 /nfs/dbraw/zinc/95/01/00/498950100.db2.gz LIEZAIQYGHWRRA-UHFFFAOYSA-N 2 1 374.504 3.070 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCc1ccncc1 ZINC000573090499 506116699 /nfs/dbraw/zinc/11/66/99/506116699.db2.gz GAUNBNGZCMRWMB-BGYRXZFFSA-N 2 1 367.493 3.101 20 0 FGADMP CC(C)c1nnc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000363718903 498958893 /nfs/dbraw/zinc/95/88/93/498958893.db2.gz AGQFLCRVFOLCTD-UHFFFAOYSA-N 2 1 365.591 3.294 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532915 498968493 /nfs/dbraw/zinc/96/84/93/498968493.db2.gz GCRILSJTDRJVIX-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532915 498968504 /nfs/dbraw/zinc/96/85/04/498968504.db2.gz GCRILSJTDRJVIX-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532915 498968510 /nfs/dbraw/zinc/96/85/10/498968510.db2.gz GCRILSJTDRJVIX-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000288265410 498980766 /nfs/dbraw/zinc/98/07/66/498980766.db2.gz PLQNPYWETWNEED-GCJKJVERSA-N 2 1 374.488 3.324 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225508 506124079 /nfs/dbraw/zinc/12/40/79/506124079.db2.gz HGQZASOQARONJN-UYAOXDASSA-N 2 1 369.534 3.091 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225508 506124081 /nfs/dbraw/zinc/12/40/81/506124081.db2.gz HGQZASOQARONJN-UYAOXDASSA-N 2 1 369.534 3.091 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301532 506125331 /nfs/dbraw/zinc/12/53/31/506125331.db2.gz ZXSRUJIXQMPYMF-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576301532 506125333 /nfs/dbraw/zinc/12/53/33/506125333.db2.gz ZXSRUJIXQMPYMF-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576301532 506125336 /nfs/dbraw/zinc/12/53/36/506125336.db2.gz ZXSRUJIXQMPYMF-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nc3sc4c(c3c(N)n1)CCCC4)CC[NH2+]CC2 ZINC000333460808 499009575 /nfs/dbraw/zinc/00/95/75/499009575.db2.gz GKYIMFCPYFLNBT-ZDUSSCGKSA-N 2 1 371.554 3.116 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000284329266 499090061 /nfs/dbraw/zinc/09/00/61/499090061.db2.gz LJXKWVBXNFCHJU-XLIONFOSSA-N 2 1 362.477 3.459 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333889341 499093936 /nfs/dbraw/zinc/09/39/36/499093936.db2.gz WSYFIBDMKSPORN-JSGCOSHPSA-N 2 1 363.449 3.189 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000364051645 499100361 /nfs/dbraw/zinc/10/03/61/499100361.db2.gz KUEWVQNPEOMOOQ-WMZOPIPTSA-N 2 1 366.575 3.114 20 0 FGADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC000291971899 499113997 /nfs/dbraw/zinc/11/39/97/499113997.db2.gz SSNXMZSBQYCSCI-UHFFFAOYSA-N 2 1 368.481 3.427 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000364122180 499119147 /nfs/dbraw/zinc/11/91/47/499119147.db2.gz AYDOETGCYIEAEH-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279936 506132194 /nfs/dbraw/zinc/13/21/94/506132194.db2.gz RQMGUYKYAYWZAA-JBACZVJFSA-N 2 1 357.542 3.006 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369927231 499153261 /nfs/dbraw/zinc/15/32/61/499153261.db2.gz LWKIOVHFKAZORG-CRAIPNDOSA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369927231 499153263 /nfs/dbraw/zinc/15/32/63/499153263.db2.gz LWKIOVHFKAZORG-CRAIPNDOSA-N 2 1 360.527 3.267 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@@H](O)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000372712804 499165166 /nfs/dbraw/zinc/16/51/66/499165166.db2.gz DKUOWTCLQFEYAY-LJQANCHMSA-N 2 1 374.916 3.381 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H](O)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000372712804 499165169 /nfs/dbraw/zinc/16/51/69/499165169.db2.gz DKUOWTCLQFEYAY-LJQANCHMSA-N 2 1 374.916 3.381 20 0 FGADMP CO[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288612 499173807 /nfs/dbraw/zinc/17/38/07/499173807.db2.gz HILCEMZRNIDYPZ-UXHICEINSA-N 2 1 365.949 3.128 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785339 499175251 /nfs/dbraw/zinc/17/52/51/499175251.db2.gz QWBLGILOQQECQR-BVYCBKJFSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785339 499175255 /nfs/dbraw/zinc/17/52/55/499175255.db2.gz QWBLGILOQQECQR-BVYCBKJFSA-N 2 1 357.542 3.134 20 0 FGADMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370160840 499189908 /nfs/dbraw/zinc/18/99/08/499189908.db2.gz IMSYQSPLMFAODD-YJBOKZPZSA-N 2 1 358.511 3.064 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579290834 506137497 /nfs/dbraw/zinc/13/74/97/506137497.db2.gz NVBNSRGOYGHUAC-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000579290834 506137501 /nfs/dbraw/zinc/13/75/01/506137501.db2.gz NVBNSRGOYGHUAC-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300071 499207078 /nfs/dbraw/zinc/20/70/78/499207078.db2.gz HYGAPDSBOFXYBV-UXLLHSPISA-N 2 1 366.575 3.016 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579290834 506137503 /nfs/dbraw/zinc/13/75/03/506137503.db2.gz NVBNSRGOYGHUAC-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000579290834 506137507 /nfs/dbraw/zinc/13/75/07/506137507.db2.gz NVBNSRGOYGHUAC-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1F ZINC000370322067 499209288 /nfs/dbraw/zinc/20/92/88/499209288.db2.gz CJOADRSVMXLYRU-KUHUBIRLSA-N 2 1 366.440 3.067 20 0 FGADMP COCCOc1cccc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)c1 ZINC000367672618 499223694 /nfs/dbraw/zinc/22/36/94/499223694.db2.gz RMRBLSNZJLEYBB-UHFFFAOYSA-N 2 1 358.482 3.401 20 0 FGADMP COCCOc1cccc(C[N@@H+](Cc2ccco2)C2CCN(C)CC2)c1 ZINC000367672618 499223696 /nfs/dbraw/zinc/22/36/96/499223696.db2.gz RMRBLSNZJLEYBB-UHFFFAOYSA-N 2 1 358.482 3.401 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370695617 499245250 /nfs/dbraw/zinc/24/52/50/499245250.db2.gz BUIDNBHTHKQNMC-CVDCTZTESA-N 2 1 364.537 3.206 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979695 499251633 /nfs/dbraw/zinc/25/16/33/499251633.db2.gz ZCQGRHVPGXYOMB-ROUUACIJSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979695 499251635 /nfs/dbraw/zinc/25/16/35/499251635.db2.gz ZCQGRHVPGXYOMB-ROUUACIJSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979695 499251637 /nfs/dbraw/zinc/25/16/37/499251637.db2.gz ZCQGRHVPGXYOMB-ROUUACIJSA-N 2 1 362.518 3.161 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N(C)CC2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000367987495 499252419 /nfs/dbraw/zinc/25/24/19/499252419.db2.gz ONNFHRGHHZUAEO-FPOVZHCZSA-N 2 1 371.569 3.477 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)cn1C ZINC000368020304 499255961 /nfs/dbraw/zinc/25/59/61/499255961.db2.gz VBKDXCHJCWNHTN-MAUKXSAKSA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)cn1C ZINC000368020304 499255963 /nfs/dbraw/zinc/25/59/63/499255963.db2.gz VBKDXCHJCWNHTN-MAUKXSAKSA-N 2 1 361.511 3.046 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CCCc3ccccc3)CC2)CC1 ZINC000371093444 499287840 /nfs/dbraw/zinc/28/78/40/499287840.db2.gz KQVPHJCEYKGFJS-UHFFFAOYSA-N 2 1 371.569 3.322 20 0 FGADMP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000371157080 499294232 /nfs/dbraw/zinc/29/42/32/499294232.db2.gz YKIDZJYQQJHEMP-YBVXAUJNSA-N 2 1 355.526 3.030 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582130077 506140402 /nfs/dbraw/zinc/14/04/02/506140402.db2.gz PPTDQKWRETWOCO-MSOLQXFVSA-N 2 1 350.869 3.180 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)C2 ZINC000368738726 499326966 /nfs/dbraw/zinc/32/69/66/499326966.db2.gz BRTFWIUNKKHKBJ-VPWXQRGCSA-N 2 1 368.525 3.446 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000368738728 499327044 /nfs/dbraw/zinc/32/70/44/499327044.db2.gz BRTFWIUNKKHKBJ-XAUMDUMWSA-N 2 1 368.525 3.446 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470751 499331095 /nfs/dbraw/zinc/33/10/95/499331095.db2.gz OETLRRPYUXJXEW-SLFFLAALSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470751 499331097 /nfs/dbraw/zinc/33/10/97/499331097.db2.gz OETLRRPYUXJXEW-SLFFLAALSA-N 2 1 354.498 3.069 20 0 FGADMP C[N@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851009 499339684 /nfs/dbraw/zinc/33/96/84/499339684.db2.gz NJBMMASXDITBLP-UHFFFAOYSA-N 2 1 354.441 3.363 20 0 FGADMP C[N@@H+](Cc1cccc(OC(F)F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368851009 499339686 /nfs/dbraw/zinc/33/96/86/499339686.db2.gz NJBMMASXDITBLP-UHFFFAOYSA-N 2 1 354.441 3.363 20 0 FGADMP Cc1nnc(N2CCC([NH2+]CCC[N@H+](C)C3CCCCC3)CC2)s1 ZINC000371684996 499354807 /nfs/dbraw/zinc/35/48/07/499354807.db2.gz IVPWVMSGGIWRDF-UHFFFAOYSA-N 2 1 351.564 3.060 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000371691920 499355674 /nfs/dbraw/zinc/35/56/74/499355674.db2.gz DTCMQTXTFMJRAK-LJQANCHMSA-N 2 1 367.537 3.319 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762619 499362810 /nfs/dbraw/zinc/36/28/10/499362810.db2.gz MMGMBTPDIPGFSP-HKUYNNGSSA-N 2 1 357.523 3.233 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000371841972 499370754 /nfs/dbraw/zinc/37/07/54/499370754.db2.gz DUYGLSJWUFLCNY-AWEZNQCLSA-N 2 1 369.962 3.072 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)[nH+]1 ZINC000369455089 499404901 /nfs/dbraw/zinc/40/49/01/499404901.db2.gz BGQHMUQJNQKSON-UHFFFAOYSA-N 2 1 352.482 3.168 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000369512098 499410857 /nfs/dbraw/zinc/41/08/57/499410857.db2.gz GWTYENXLJGCNEP-SFHVURJKSA-N 2 1 361.534 3.085 20 0 FGADMP C[C@@H]([NH2+]CCCOCC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372346145 499423413 /nfs/dbraw/zinc/42/34/13/499423413.db2.gz JJEPMPYQXPSLRS-KNQAVFIVSA-N 2 1 360.542 3.320 20 0 FGADMP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nc(-c3ccsc3)no1)CC2)C1CC1 ZINC000372421652 499432796 /nfs/dbraw/zinc/43/27/96/499432796.db2.gz WVPVDAVPURVOKB-HNNXBMFYSA-N 2 1 358.511 3.494 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nc(-c3ccsc3)no1)CC2)C1CC1 ZINC000372421652 499432798 /nfs/dbraw/zinc/43/27/98/499432798.db2.gz WVPVDAVPURVOKB-HNNXBMFYSA-N 2 1 358.511 3.494 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000373377621 499466280 /nfs/dbraw/zinc/46/62/80/499466280.db2.gz OOYMYMBSOJKNEC-CQSZACIVSA-N 2 1 370.472 3.371 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000378217997 499491214 /nfs/dbraw/zinc/49/12/14/499491214.db2.gz PIXCBMQWDLRSID-LJQANCHMSA-N 2 1 372.557 3.091 20 0 FGADMP CC[NH+]1CCC([N@H+](Cc2ccc(OCc3nccn3C)cc2)C2CC2)CC1 ZINC000378292723 499498807 /nfs/dbraw/zinc/49/88/07/499498807.db2.gz KUSRDVQYVJQNBF-UHFFFAOYSA-N 2 1 368.525 3.448 20 0 FGADMP CC[NH+]1CCC([N@@H+](Cc2ccc(OCc3nccn3C)cc2)C2CC2)CC1 ZINC000378292723 499498808 /nfs/dbraw/zinc/49/88/08/499498808.db2.gz KUSRDVQYVJQNBF-UHFFFAOYSA-N 2 1 368.525 3.448 20 0 FGADMP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000375246004 499499110 /nfs/dbraw/zinc/49/91/10/499499110.db2.gz QXIIQQLXFLXADQ-DKUWSORSSA-N 2 1 363.505 3.170 20 0 FGADMP OC1(Cc2ccc(F)cc2F)C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCC1 ZINC000378430172 499516035 /nfs/dbraw/zinc/51/60/35/499516035.db2.gz NKTGRCOPXWSCTO-PMSBKCLSSA-N 2 1 364.480 3.351 20 0 FGADMP CN(Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378434808 499516176 /nfs/dbraw/zinc/51/61/76/499516176.db2.gz SKEDSTSDYDCUQT-IBGZPJMESA-N 2 1 372.488 3.081 20 0 FGADMP CN(Cc1ncc(-c2cccc(F)c2)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378434808 499516178 /nfs/dbraw/zinc/51/61/78/499516178.db2.gz SKEDSTSDYDCUQT-IBGZPJMESA-N 2 1 372.488 3.081 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382750469 499546037 /nfs/dbraw/zinc/54/60/37/499546037.db2.gz ZIPQCGKKFPUQHK-LJQANCHMSA-N 2 1 365.521 3.185 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000382732939 499546225 /nfs/dbraw/zinc/54/62/25/499546225.db2.gz DAHIGKXNTKNVRO-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000385371381 499548246 /nfs/dbraw/zinc/54/82/46/499548246.db2.gz CCIZJYXLJCCBBP-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c1 ZINC000385371381 499548248 /nfs/dbraw/zinc/54/82/48/499548248.db2.gz CCIZJYXLJCCBBP-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390688288 499555184 /nfs/dbraw/zinc/55/51/84/499555184.db2.gz ZMYNRXFVWIXVOL-BAGYTPMASA-N 2 1 359.558 3.178 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688288 499555186 /nfs/dbraw/zinc/55/51/86/499555186.db2.gz ZMYNRXFVWIXVOL-BAGYTPMASA-N 2 1 359.558 3.178 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000390918561 499556196 /nfs/dbraw/zinc/55/61/96/499556196.db2.gz WFEIFYGJWIOJLA-RBBKRZOGSA-N 2 1 368.521 3.317 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000390918561 499556197 /nfs/dbraw/zinc/55/61/97/499556197.db2.gz WFEIFYGJWIOJLA-RBBKRZOGSA-N 2 1 368.521 3.317 20 0 FGADMP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000375802018 499557069 /nfs/dbraw/zinc/55/70/69/499557069.db2.gz PVLHPFBZZGTOHO-BHDDXSALSA-N 2 1 356.558 3.184 20 0 FGADMP Cc1nc2c(s1)CCC[C@H]2C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000375953729 499571161 /nfs/dbraw/zinc/57/11/61/499571161.db2.gz JMAGQZIKHFLROR-SFHVURJKSA-N 2 1 364.603 3.219 20 0 FGADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163283 499587869 /nfs/dbraw/zinc/58/78/69/499587869.db2.gz AUUNSHCMRKVLQM-HKUYNNGSSA-N 2 1 372.557 3.293 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163283 499587871 /nfs/dbraw/zinc/58/78/71/499587871.db2.gz AUUNSHCMRKVLQM-HKUYNNGSSA-N 2 1 372.557 3.293 20 0 FGADMP Cc1nccn1CCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446120 499596474 /nfs/dbraw/zinc/59/64/74/499596474.db2.gz DCHPIHQZOAFLEW-VXKWHMMOSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446120 499596476 /nfs/dbraw/zinc/59/64/76/499596476.db2.gz DCHPIHQZOAFLEW-VXKWHMMOSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1nccn1CCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446120 499596478 /nfs/dbraw/zinc/59/64/78/499596478.db2.gz DCHPIHQZOAFLEW-VXKWHMMOSA-N 2 1 352.526 3.426 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000582176186 506151895 /nfs/dbraw/zinc/15/18/95/506151895.db2.gz GXHZWNKZUKTBAV-NRFANRHFSA-N 2 1 356.510 3.365 20 0 FGADMP Cc1cc(N2CCC(N(C)C(=O)Nc3c(C)ccnc3C)CC2)nc(C)[nH+]1 ZINC000376670508 499627442 /nfs/dbraw/zinc/62/74/42/499627442.db2.gz GXYLAYPNOKHBAW-UHFFFAOYSA-N 2 1 368.485 3.238 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000377008879 499653702 /nfs/dbraw/zinc/65/37/02/499653702.db2.gz CMRCIJQRFHJZIK-SFHVURJKSA-N 2 1 372.557 3.436 20 0 FGADMP COc1ncc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)n1 ZINC000410345663 499656390 /nfs/dbraw/zinc/65/63/90/499656390.db2.gz RYADXTCDWWOATE-UHFFFAOYSA-N 2 1 354.498 3.138 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000377132171 499664717 /nfs/dbraw/zinc/66/47/17/499664717.db2.gz WUYFQUWGTPOBIB-JYAXOCDNSA-N 2 1 358.526 3.357 20 0 FGADMP COC(=O)C[C@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411341735 499727601 /nfs/dbraw/zinc/72/76/01/499727601.db2.gz DCYKPLTYTIRMNF-IBGZPJMESA-N 2 1 362.539 3.153 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000377777312 499732008 /nfs/dbraw/zinc/73/20/08/499732008.db2.gz JLKBGSWTMCQWTH-OAHLLOKOSA-N 2 1 373.863 3.403 20 0 FGADMP c1cn(C[C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000411391840 499733280 /nfs/dbraw/zinc/73/32/80/499733280.db2.gz BVFJIJNJVAYGEM-NRFANRHFSA-N 2 1 353.514 3.176 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000411399726 499734810 /nfs/dbraw/zinc/73/48/10/499734810.db2.gz MCTUPUCQMVJWOO-UHFFFAOYSA-N 2 1 364.877 3.204 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000411399726 499734812 /nfs/dbraw/zinc/73/48/12/499734812.db2.gz MCTUPUCQMVJWOO-UHFFFAOYSA-N 2 1 364.877 3.204 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834215 499740326 /nfs/dbraw/zinc/74/03/26/499740326.db2.gz JVHUVEHYQNIPPC-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834215 499740328 /nfs/dbraw/zinc/74/03/28/499740328.db2.gz JVHUVEHYQNIPPC-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834215 499740330 /nfs/dbraw/zinc/74/03/30/499740330.db2.gz JVHUVEHYQNIPPC-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516046 499750160 /nfs/dbraw/zinc/75/01/60/499750160.db2.gz JARHQWZWLAKXBW-IWFBPKFRSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516046 499750162 /nfs/dbraw/zinc/75/01/62/499750162.db2.gz JARHQWZWLAKXBW-IWFBPKFRSA-N 2 1 361.574 3.410 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414264510 499772642 /nfs/dbraw/zinc/77/26/42/499772642.db2.gz KMQQPHRGBXGELX-YUMYIRISSA-N 2 1 360.542 3.317 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000414264510 499772644 /nfs/dbraw/zinc/77/26/44/499772644.db2.gz KMQQPHRGBXGELX-YUMYIRISSA-N 2 1 360.542 3.317 20 0 FGADMP CS(=O)(=O)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411687978 499777913 /nfs/dbraw/zinc/77/79/13/499777913.db2.gz HGHWOYJNJSTOMB-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411687978 499777915 /nfs/dbraw/zinc/77/79/15/499777915.db2.gz HGHWOYJNJSTOMB-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000414716748 499822565 /nfs/dbraw/zinc/82/25/65/499822565.db2.gz SVKGAABVLHPYGK-IBGZPJMESA-N 2 1 374.529 3.033 20 0 FGADMP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741559 499825614 /nfs/dbraw/zinc/82/56/14/499825614.db2.gz RZSJIGLSIXPIDI-CHWSQXEVSA-N 2 1 357.420 3.143 20 0 FGADMP COc1ccc(OCc2nc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cs2)cc1 ZINC000414801899 499832754 /nfs/dbraw/zinc/83/27/54/499832754.db2.gz MJEMHGZNYXLWTC-KDOFPFPSSA-N 2 1 361.511 3.338 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000414907423 499843763 /nfs/dbraw/zinc/84/37/63/499843763.db2.gz NHRISBKDKQXOOP-SFHVURJKSA-N 2 1 355.486 3.400 20 0 FGADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(Br)c1OC ZINC000414920330 499844515 /nfs/dbraw/zinc/84/45/15/499844515.db2.gz ZALFTFSRMFMFTB-CYBMUJFWSA-N 2 1 357.292 3.088 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@]3(C)CCC[NH2+]C3)c2C)cc1 ZINC000414918552 499844779 /nfs/dbraw/zinc/84/47/79/499844779.db2.gz UUFDRCLELYRWAC-OAQYLSRUSA-N 2 1 356.514 3.036 20 0 FGADMP Fc1cccc(Cl)c1CCC[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061121 499859763 /nfs/dbraw/zinc/85/97/63/499859763.db2.gz XYUCGFKSSABZRK-UHFFFAOYSA-N 2 1 353.913 3.218 20 0 FGADMP O=C1CCCN1Cc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415077415 499861198 /nfs/dbraw/zinc/86/11/98/499861198.db2.gz FBGCJYXEGZYWKD-VXKWHMMOSA-N 2 1 363.505 3.392 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415929426 499929755 /nfs/dbraw/zinc/92/97/55/499929755.db2.gz HAXJCBPXKRZPHM-FQEVSTJZSA-N 2 1 352.482 3.192 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415961624 499933874 /nfs/dbraw/zinc/93/38/74/499933874.db2.gz RURQPQGCROSXRL-APWZRJJASA-N 2 1 352.482 3.177 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415964521 499934472 /nfs/dbraw/zinc/93/44/72/499934472.db2.gz WLCUFGNKPBRJIE-HXUWFJFHSA-N 2 1 354.498 3.423 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415971258 499935700 /nfs/dbraw/zinc/93/57/00/499935700.db2.gz GFTHUBPQLCQQIX-UZLBHIALSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416146356 499958041 /nfs/dbraw/zinc/95/80/41/499958041.db2.gz UIXQIIXIEMRTHB-WOIUINJBSA-N 2 1 369.553 3.299 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000428957368 499967997 /nfs/dbraw/zinc/96/79/97/499967997.db2.gz QONOHFBVXYUOIE-MSOLQXFVSA-N 2 1 362.562 3.173 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000416177573 499969803 /nfs/dbraw/zinc/96/98/03/499969803.db2.gz GEHNQAVOBFLFDH-TUNNFDKTSA-N 2 1 351.494 3.241 20 0 FGADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)C3CC[NH+](C4CC4)CC3)sc2C1 ZINC000425050849 500006122 /nfs/dbraw/zinc/00/61/22/500006122.db2.gz ZIIMCEOTMVHYCN-UHFFFAOYSA-N 2 1 362.543 3.113 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429127519 500008498 /nfs/dbraw/zinc/00/84/98/500008498.db2.gz CJHCQQQGKIHHAR-SFHVURJKSA-N 2 1 355.526 3.299 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)c1 ZINC000417398912 500061406 /nfs/dbraw/zinc/06/14/06/500061406.db2.gz IGTBJSNJVUOCDI-NHCUHLMSSA-N 2 1 372.557 3.202 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845414 500137120 /nfs/dbraw/zinc/13/71/20/500137120.db2.gz RRZCPDNDIFNFKP-RTWAWAEBSA-N 2 1 366.509 3.040 20 0 FGADMP C[C@@H](Cc1ccc(F)cc1Cl)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000421827125 500161354 /nfs/dbraw/zinc/16/13/54/500161354.db2.gz WKZAMRQAHOKCBK-HNNXBMFYSA-N 2 1 355.929 3.273 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)C1 ZINC000416968519 500169595 /nfs/dbraw/zinc/16/95/95/500169595.db2.gz JHTUOBKJSDDJOG-LVCYWYKZSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]1 ZINC000416974432 500172343 /nfs/dbraw/zinc/17/23/43/500172343.db2.gz LJODBSHUVURITF-HLIPFELVSA-N 2 1 358.530 3.001 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300440 506180465 /nfs/dbraw/zinc/18/04/65/506180465.db2.gz GLFKJPGDBOVIIA-PMACEKPBSA-N 2 1 373.516 3.027 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300440 506180468 /nfs/dbraw/zinc/18/04/68/506180468.db2.gz GLFKJPGDBOVIIA-PMACEKPBSA-N 2 1 373.516 3.027 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000416977541 500173442 /nfs/dbraw/zinc/17/34/42/500173442.db2.gz QBYGTWJCUPAJFP-FXAWDEMLSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000417806597 500175968 /nfs/dbraw/zinc/17/59/68/500175968.db2.gz BGNXGZKMXORUTM-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000416990112 500177319 /nfs/dbraw/zinc/17/73/19/500177319.db2.gz MYOHRIOIUUAGQA-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417828971 500179587 /nfs/dbraw/zinc/17/95/87/500179587.db2.gz QVXNVHONTSTBEM-QMMLZNLJSA-N 2 1 372.557 3.104 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430132540 500197630 /nfs/dbraw/zinc/19/76/30/500197630.db2.gz CHRDXCWGBCCUQD-OAQYLSRUSA-N 2 1 357.542 3.077 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417988176 500210560 /nfs/dbraw/zinc/21/05/60/500210560.db2.gz RVMBNYGCIKWJDE-LJQANCHMSA-N 2 1 368.525 3.068 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418009724 500213502 /nfs/dbraw/zinc/21/35/02/500213502.db2.gz SCTZEHJKSQLGIK-MWDDYTRKSA-N 2 1 370.900 3.038 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418009724 500213501 /nfs/dbraw/zinc/21/35/01/500213501.db2.gz SCTZEHJKSQLGIK-MWDDYTRKSA-N 2 1 370.900 3.038 20 0 FGADMP CCCN(C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C1CC[NH2+]CC1 ZINC000418043068 500219296 /nfs/dbraw/zinc/21/92/96/500219296.db2.gz YJEUIXYKCRVSQF-NRFANRHFSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418166069 500240522 /nfs/dbraw/zinc/24/05/22/500240522.db2.gz YWFVYJCAIZVTTM-HKUYNNGSSA-N 2 1 360.546 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183876 500244441 /nfs/dbraw/zinc/24/44/41/500244441.db2.gz OXZMRGMEKNJXEG-WMLDXEAASA-N 2 1 354.926 3.150 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)cc1)[C@@H]1CCCC[C@H]1O ZINC000426221169 500249576 /nfs/dbraw/zinc/24/95/76/500249576.db2.gz XMVVAHFJZCDMHU-GXRSIYKFSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541425 500251508 /nfs/dbraw/zinc/25/15/08/500251508.db2.gz INSUKFFQODKULL-TZMCWYRMSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541425 500251512 /nfs/dbraw/zinc/25/15/12/500251512.db2.gz INSUKFFQODKULL-TZMCWYRMSA-N 2 1 358.313 3.011 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430642439 500265636 /nfs/dbraw/zinc/26/56/36/500265636.db2.gz KMFWWESXPSJEPK-OXJNMPFZSA-N 2 1 357.523 3.015 20 0 FGADMP C[C@@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708305 500287716 /nfs/dbraw/zinc/28/77/16/500287716.db2.gz IXFKZTDDOQQHEL-KDOFPFPSSA-N 2 1 355.448 3.400 20 0 FGADMP C[C@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422708304 500287788 /nfs/dbraw/zinc/28/77/88/500287788.db2.gz IXFKZTDDOQQHEL-KBXCAEBGSA-N 2 1 355.448 3.400 20 0 FGADMP C[C@H](NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422708306 500288025 /nfs/dbraw/zinc/28/80/25/500288025.db2.gz IXFKZTDDOQQHEL-KSSFIOAISA-N 2 1 355.448 3.400 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717803 500289167 /nfs/dbraw/zinc/28/91/67/500289167.db2.gz PDZAWJOVPGVOFB-PXNSSMCTSA-N 3 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717803 500289170 /nfs/dbraw/zinc/28/91/70/500289170.db2.gz PDZAWJOVPGVOFB-PXNSSMCTSA-N 2 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717803 500289171 /nfs/dbraw/zinc/28/91/71/500289171.db2.gz PDZAWJOVPGVOFB-PXNSSMCTSA-N 2 1 352.526 3.064 20 0 FGADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422720416 500290321 /nfs/dbraw/zinc/29/03/21/500290321.db2.gz ZKSHFBICUSPPRT-YTFSRNRJSA-N 2 1 371.569 3.309 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422729019 500290670 /nfs/dbraw/zinc/29/06/70/500290670.db2.gz HDXCHXMSGBJAJV-BULFRSBZSA-N 3 1 359.558 3.293 20 0 FGADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(NC(=O)NCc2ccncc2)c1 ZINC000422726126 500290939 /nfs/dbraw/zinc/29/09/39/500290939.db2.gz DCVAVZXMLZELNG-VQTJNVASSA-N 2 1 367.497 3.153 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422729020 500291037 /nfs/dbraw/zinc/29/10/37/500291037.db2.gz HDXCHXMSGBJAJV-HSQYWUDLSA-N 3 1 359.558 3.293 20 0 FGADMP Brc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422731107 500291645 /nfs/dbraw/zinc/29/16/45/500291645.db2.gz KZILHAFKBAVIHN-OWCLPIDISA-N 2 1 363.303 3.107 20 0 FGADMP CN(C)Cc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746276 500293821 /nfs/dbraw/zinc/29/38/21/500293821.db2.gz NOZZTTJKSZXAAH-RBBKRZOGSA-N 2 1 369.484 3.233 20 0 FGADMP C[C@H](NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757738 500294766 /nfs/dbraw/zinc/29/47/66/500294766.db2.gz IXBDFHKFTYBYRB-JCKWVBRZSA-N 2 1 355.448 3.286 20 0 FGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422815169 500301905 /nfs/dbraw/zinc/30/19/05/500301905.db2.gz XDGNQBSWEUKANJ-RRFJBIMHSA-N 2 1 360.832 3.188 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855419 500306067 /nfs/dbraw/zinc/30/60/67/500306067.db2.gz DUCUYGADZJMHNB-YJSIEXFISA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855419 500306070 /nfs/dbraw/zinc/30/60/70/500306070.db2.gz DUCUYGADZJMHNB-YJSIEXFISA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)C1 ZINC000422855419 500306073 /nfs/dbraw/zinc/30/60/73/500306073.db2.gz DUCUYGADZJMHNB-YJSIEXFISA-N 2 1 371.569 3.165 20 0 FGADMP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418681755 500307029 /nfs/dbraw/zinc/30/70/29/500307029.db2.gz ZCAUIYZNKITSME-WSTZPKSXSA-N 2 1 360.546 3.371 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000430925035 500307933 /nfs/dbraw/zinc/30/79/33/500307933.db2.gz JVIAUBPCLSAJHT-UHFFFAOYSA-N 2 1 354.376 3.187 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430923306 500307976 /nfs/dbraw/zinc/30/79/76/500307976.db2.gz CSOGQYRJMAAXLS-QGZVFWFLSA-N 2 1 353.466 3.349 20 0 FGADMP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874803 500308962 /nfs/dbraw/zinc/30/89/62/500308962.db2.gz DFDVXLDVVNJIAC-PEWUMXJESA-N 3 1 359.558 3.006 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422878618 500309425 /nfs/dbraw/zinc/30/94/25/500309425.db2.gz TYDLHXYAERXXOV-QWRKXWFKSA-N 2 1 369.239 3.437 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000422878609 500309738 /nfs/dbraw/zinc/30/97/38/500309738.db2.gz TYDLHXYAERXXOV-KDDOJWQBSA-N 2 1 369.239 3.437 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000430966424 500314058 /nfs/dbraw/zinc/31/40/58/500314058.db2.gz OSVPDWFHBMZDOI-AEFFLSMTSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCN(c2ccccc2Cl)CC1)c1c[nH+]ccc1N ZINC000422906197 500314860 /nfs/dbraw/zinc/31/48/60/500314860.db2.gz UJZHPMBKISQEEE-MRXNPFEDSA-N 2 1 373.932 3.010 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928465 500318571 /nfs/dbraw/zinc/31/85/71/500318571.db2.gz KQWXVYMLERXQAA-PGRDOPGGSA-N 2 1 365.521 3.361 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928463 500318631 /nfs/dbraw/zinc/31/86/31/500318631.db2.gz KQWXVYMLERXQAA-AVRDEDQJSA-N 2 1 365.521 3.361 20 0 FGADMP O[C@H](C(F)F)[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422972809 500326097 /nfs/dbraw/zinc/32/60/97/500326097.db2.gz AJKKUPAEGNNXNE-YRPNKDGESA-N 2 1 360.448 3.307 20 0 FGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000431068901 500331548 /nfs/dbraw/zinc/33/15/48/500331548.db2.gz USDWQYUVCYSGOO-HUUCEWRRSA-N 2 1 350.507 3.213 20 0 FGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000431068901 500331552 /nfs/dbraw/zinc/33/15/52/500331552.db2.gz USDWQYUVCYSGOO-HUUCEWRRSA-N 2 1 350.507 3.213 20 0 FGADMP Fc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1Cl ZINC000423093920 500341331 /nfs/dbraw/zinc/34/13/31/500341331.db2.gz AOWORJLWFLONBO-VKXWPSASSA-N 2 1 352.881 3.472 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000423144554 500347917 /nfs/dbraw/zinc/34/79/17/500347917.db2.gz HMLODBXBVJOBGP-QZTJIDSGSA-N 2 1 364.898 3.238 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187786 500353097 /nfs/dbraw/zinc/35/30/97/500353097.db2.gz MTMMUADAGLRAJO-KNQAVFIVSA-N 2 1 352.526 3.062 20 0 FGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423191797 500353169 /nfs/dbraw/zinc/35/31/69/500353169.db2.gz UBBSGCKWTSXUSK-QGZVFWFLSA-N 2 1 371.481 3.307 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000427152502 500359876 /nfs/dbraw/zinc/35/98/76/500359876.db2.gz KEMIVMLDPKVOPG-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)COC1CC[NH2+]CC1)C1CCCCC1 ZINC000423299967 500362307 /nfs/dbraw/zinc/36/23/07/500362307.db2.gz QPJAFUGUKSQKGT-UHFFFAOYSA-N 2 1 359.514 3.158 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201804 500366163 /nfs/dbraw/zinc/36/61/63/500366163.db2.gz BZTBYWQSEQLWGL-SJORKVTESA-N 2 1 369.431 3.051 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000423360359 500367227 /nfs/dbraw/zinc/36/72/27/500367227.db2.gz LHJOPGKPCXBYEB-XLIONFOSSA-N 2 1 351.494 3.014 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@H](C)[NH3+] ZINC000423396099 500370320 /nfs/dbraw/zinc/37/03/20/500370320.db2.gz RGXDUJVUONNUIN-VCOUNFBDSA-N 2 1 357.542 3.121 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000427274791 500376992 /nfs/dbraw/zinc/37/69/92/500376992.db2.gz NROGTGJLDUIEBF-MOPGFXCFSA-N 2 1 357.542 3.457 20 0 FGADMP Fc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccn2)cc1 ZINC000423505404 500379725 /nfs/dbraw/zinc/37/97/25/500379725.db2.gz HRFPPNQRRNOLKL-AOMIVXANSA-N 2 1 368.500 3.116 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1OC(F)F ZINC000423500964 500380051 /nfs/dbraw/zinc/38/00/51/500380051.db2.gz CHHOVKGRWCHBDG-FHERZECASA-N 2 1 353.457 3.155 20 0 FGADMP COc1ccsc1[C@H](C)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423544713 500383493 /nfs/dbraw/zinc/38/34/93/500383493.db2.gz CILJRZUWBCSGRD-INIZCTEOSA-N 2 1 359.539 3.401 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000423793859 500401730 /nfs/dbraw/zinc/40/17/30/500401730.db2.gz DCZKBFHFDGKWLO-NEPJUHHUSA-N 2 1 358.313 3.057 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805048 500403377 /nfs/dbraw/zinc/40/33/77/500403377.db2.gz CPOCXTWACUZKAE-CVEARBPZSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805048 500403378 /nfs/dbraw/zinc/40/33/78/500403378.db2.gz CPOCXTWACUZKAE-CVEARBPZSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423811327 500404108 /nfs/dbraw/zinc/40/41/08/500404108.db2.gz NQGHOMVGPMBPGJ-MWDDYTRKSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423811327 500404111 /nfs/dbraw/zinc/40/41/11/500404111.db2.gz NQGHOMVGPMBPGJ-MWDDYTRKSA-N 2 1 355.885 3.102 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423841924 500410619 /nfs/dbraw/zinc/41/06/19/500410619.db2.gz GRDUUERWMOXCAJ-UHFFFAOYSA-N 2 1 357.542 3.266 20 0 FGADMP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423906263 500417791 /nfs/dbraw/zinc/41/77/91/500417791.db2.gz PWZDCBWWMQDEQC-MISYRCLQSA-N 2 1 355.526 3.188 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431852936 500434350 /nfs/dbraw/zinc/43/43/50/500434350.db2.gz CEIJEPHYIODHLW-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431852936 500434353 /nfs/dbraw/zinc/43/43/53/500434353.db2.gz CEIJEPHYIODHLW-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431852936 500434354 /nfs/dbraw/zinc/43/43/54/500434354.db2.gz CEIJEPHYIODHLW-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000431862022 500435700 /nfs/dbraw/zinc/43/57/00/500435700.db2.gz WQJMWMCVOYOYGJ-RCCFBDPRSA-N 2 1 364.534 3.082 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299926 500436432 /nfs/dbraw/zinc/43/64/32/500436432.db2.gz JRPUGBVJZBACER-UGKGYDQZSA-N 2 1 354.494 3.109 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299924 500436932 /nfs/dbraw/zinc/43/69/32/500436932.db2.gz JRPUGBVJZBACER-SIKLNZKXSA-N 2 1 354.494 3.109 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307925 500438485 /nfs/dbraw/zinc/43/84/85/500438485.db2.gz RRVZBEURQMUYBO-GMAHTHKFSA-N 2 1 368.521 3.461 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311347 500438747 /nfs/dbraw/zinc/43/87/47/500438747.db2.gz HNERIAYILCUSHZ-DBVUQKKJSA-N 2 1 351.494 3.250 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420311347 500438750 /nfs/dbraw/zinc/43/87/50/500438750.db2.gz HNERIAYILCUSHZ-DBVUQKKJSA-N 2 1 351.494 3.250 20 0 FGADMP COc1cccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420320706 500440558 /nfs/dbraw/zinc/44/05/58/500440558.db2.gz YXBPIFNOBURSMO-LJQANCHMSA-N 2 1 355.482 3.113 20 0 FGADMP COc1cccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000420320706 500440561 /nfs/dbraw/zinc/44/05/61/500440561.db2.gz YXBPIFNOBURSMO-LJQANCHMSA-N 2 1 355.482 3.113 20 0 FGADMP CC(C)(C)c1ccc(OCCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325029 500441334 /nfs/dbraw/zinc/44/13/34/500441334.db2.gz HWQGGXGLBGJGID-IBGZPJMESA-N 2 1 360.542 3.440 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903065 500441397 /nfs/dbraw/zinc/44/13/97/500441397.db2.gz MNKCMZOBCXPAST-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335003 500444237 /nfs/dbraw/zinc/44/42/37/500444237.db2.gz HAMYLCNKWNJHDH-NHCUHLMSSA-N 2 1 357.542 3.055 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340153 500444857 /nfs/dbraw/zinc/44/48/57/500444857.db2.gz MSOOQJBYQJNIEX-HBMCJLEFSA-N 2 1 357.542 3.212 20 0 FGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420364970 500448491 /nfs/dbraw/zinc/44/84/91/500448491.db2.gz DKJOOQCMCBCOMH-NJAFHUGGSA-N 2 1 361.555 3.499 20 0 FGADMP Cc1nc(C(C)C)sc1[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420364970 500448493 /nfs/dbraw/zinc/44/84/93/500448493.db2.gz DKJOOQCMCBCOMH-NJAFHUGGSA-N 2 1 361.555 3.499 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)cc1)C(C)C ZINC000424086521 500450468 /nfs/dbraw/zinc/45/04/68/500450468.db2.gz ZHNGIJASGABCGK-HXUWFJFHSA-N 2 1 351.494 3.447 20 0 FGADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000420391749 500454319 /nfs/dbraw/zinc/45/43/19/500454319.db2.gz ZCEARICPBWNAKU-QGZVFWFLSA-N 2 1 355.404 3.110 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC=C2 ZINC000576604194 506197109 /nfs/dbraw/zinc/19/71/09/506197109.db2.gz NTSUPCFDFQXMLJ-NRFANRHFSA-N 2 1 355.526 3.134 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000428146365 500474519 /nfs/dbraw/zinc/47/45/19/500474519.db2.gz OHNGXOFVUJLHTD-RXVVDRJESA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ncnc4sc(C)c(C)c43)CC2)CC1 ZINC000420621925 500478753 /nfs/dbraw/zinc/47/87/53/500478753.db2.gz DTEMZMOQYMWOBH-UHFFFAOYSA-N 2 1 373.570 3.305 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(c3ncnc4sc(C)c(C)c43)CC2)CC1 ZINC000420621925 500478755 /nfs/dbraw/zinc/47/87/55/500478755.db2.gz DTEMZMOQYMWOBH-UHFFFAOYSA-N 2 1 373.570 3.305 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)C[C@H]2C1 ZINC000424273708 500479814 /nfs/dbraw/zinc/47/98/14/500479814.db2.gz XIYGUXMEEYIECB-GSNCRSPSSA-N 2 1 358.526 3.201 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)C[C@H]2C1 ZINC000424273708 500479818 /nfs/dbraw/zinc/47/98/18/500479818.db2.gz XIYGUXMEEYIECB-GSNCRSPSSA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N1CC[C@@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298986 500483398 /nfs/dbraw/zinc/48/33/98/500483398.db2.gz VENKZJICLSBITB-IAGOWNOFSA-N 2 1 373.566 3.368 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000576612355 506198350 /nfs/dbraw/zinc/19/83/50/506198350.db2.gz JOXXKBGDTKYQDM-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612355 506198353 /nfs/dbraw/zinc/19/83/53/506198353.db2.gz JOXXKBGDTKYQDM-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612355 506198356 /nfs/dbraw/zinc/19/83/56/506198356.db2.gz JOXXKBGDTKYQDM-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nnc(C2CC2)s1 ZINC000432241293 500487867 /nfs/dbraw/zinc/48/78/67/500487867.db2.gz ISYRYFFLRKNALC-UHFFFAOYSA-N 2 1 363.575 3.048 20 0 FGADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428283950 500491484 /nfs/dbraw/zinc/49/14/84/500491484.db2.gz CJIMOGOEZVZOAU-KSEOMHKRSA-N 2 1 359.558 3.111 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000420755293 500495328 /nfs/dbraw/zinc/49/53/28/500495328.db2.gz CNFDJEWZIWRXJQ-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP CCOc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC(F)F ZINC000432364982 500505814 /nfs/dbraw/zinc/50/58/14/500505814.db2.gz OUSNVMIPSVNKFN-HNNXBMFYSA-N 2 1 372.456 3.277 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432408340 500512186 /nfs/dbraw/zinc/51/21/86/500512186.db2.gz BCKISSSTTPIAGE-IRXDYDNUSA-N 2 1 371.525 3.124 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC3 ZINC000432408340 500512189 /nfs/dbraw/zinc/51/21/89/500512189.db2.gz BCKISSSTTPIAGE-IRXDYDNUSA-N 2 1 371.525 3.124 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428457949 500512523 /nfs/dbraw/zinc/51/25/23/500512523.db2.gz IAJUZXYAETXXGG-QHAWAJNXSA-N 2 1 371.569 3.429 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953970 500539540 /nfs/dbraw/zinc/53/95/40/500539540.db2.gz UANOPDWOCXJEAM-RDJZCZTQSA-N 2 1 371.447 3.070 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](CC(F)(F)F)C1)c1ccccc1 ZINC000420953970 500539542 /nfs/dbraw/zinc/53/95/42/500539542.db2.gz UANOPDWOCXJEAM-RDJZCZTQSA-N 2 1 371.447 3.070 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOCCc3ccccc3)CC2)CC1 ZINC000420975401 500545309 /nfs/dbraw/zinc/54/53/09/500545309.db2.gz FWPKLFZCCYOSJH-UHFFFAOYSA-N 2 1 373.585 3.128 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981977 500547295 /nfs/dbraw/zinc/54/72/95/500547295.db2.gz ZIYKWNTUCDDVBL-BHIFYINESA-N 2 1 358.526 3.034 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981977 500547298 /nfs/dbraw/zinc/54/72/98/500547298.db2.gz ZIYKWNTUCDDVBL-BHIFYINESA-N 2 1 358.526 3.034 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442640717 500607618 /nfs/dbraw/zinc/60/76/18/500607618.db2.gz BRYDBBBQOLKDHA-LJQANCHMSA-N 2 1 361.489 3.257 20 0 FGADMP OCCOc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000447578872 500628095 /nfs/dbraw/zinc/62/80/95/500628095.db2.gz HXTSDWKXZCCHQS-DKUWSORSSA-N 2 1 366.505 3.343 20 0 FGADMP COc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000442875987 500638207 /nfs/dbraw/zinc/63/82/07/500638207.db2.gz QEDCACJLWPSRLY-JOCHJYFZSA-N 2 1 367.537 3.400 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000443064329 500672815 /nfs/dbraw/zinc/67/28/15/500672815.db2.gz XYQZSCPJSURHPE-LBPRGKRZSA-N 2 1 354.376 3.316 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437637780 500673196 /nfs/dbraw/zinc/67/31/96/500673196.db2.gz WSKWTPIGXQWTPC-HXUWFJFHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443073194 500675403 /nfs/dbraw/zinc/67/54/03/500675403.db2.gz OXZGKDOKTUXEJP-JKSUJKDBSA-N 2 1 364.559 3.258 20 0 FGADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564644 506212620 /nfs/dbraw/zinc/21/26/20/506212620.db2.gz HRVNAXHTILREGU-UXHICEINSA-N 2 1 351.494 3.482 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000443197182 500695271 /nfs/dbraw/zinc/69/52/71/500695271.db2.gz WYULHRUKAITVIS-SNRMKQJTSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000443197182 500695273 /nfs/dbraw/zinc/69/52/73/500695273.db2.gz WYULHRUKAITVIS-SNRMKQJTSA-N 2 1 350.478 3.376 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447982214 500701100 /nfs/dbraw/zinc/70/11/00/500701100.db2.gz JJWBSPPPHYOIHF-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447982214 500701103 /nfs/dbraw/zinc/70/11/03/500701103.db2.gz JJWBSPPPHYOIHF-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447982214 500701105 /nfs/dbraw/zinc/70/11/05/500701105.db2.gz JJWBSPPPHYOIHF-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438051476 500731543 /nfs/dbraw/zinc/73/15/43/500731543.db2.gz QWQWSTPOKCDBSC-WMZOPIPTSA-N 2 1 362.518 3.011 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000448204733 500732712 /nfs/dbraw/zinc/73/27/12/500732712.db2.gz MDOGZGDZACPPLX-OAQYLSRUSA-N 2 1 374.573 3.176 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000448204733 500732715 /nfs/dbraw/zinc/73/27/15/500732715.db2.gz MDOGZGDZACPPLX-OAQYLSRUSA-N 2 1 374.573 3.176 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000448204733 500732718 /nfs/dbraw/zinc/73/27/18/500732718.db2.gz MDOGZGDZACPPLX-OAQYLSRUSA-N 2 1 374.573 3.176 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000448571479 500773795 /nfs/dbraw/zinc/77/37/95/500773795.db2.gz FULOQZYYHWPXHP-UHFFFAOYSA-N 2 1 367.497 3.186 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2sccc21 ZINC000434189675 500808713 /nfs/dbraw/zinc/80/87/13/500808713.db2.gz OFSMSPGCJFIHLZ-SJLPKXTDSA-N 2 1 363.571 3.043 20 0 FGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000434619887 500866989 /nfs/dbraw/zinc/86/69/89/500866989.db2.gz HFNZVJLUHXAEDE-NRFANRHFSA-N 2 1 363.521 3.444 20 0 FGADMP c1[nH+]c(C2CC[NH+](CCc3ccc4c(c3)OCCO4)CC2)n2c1CCCC2 ZINC000434734743 500885734 /nfs/dbraw/zinc/88/57/34/500885734.db2.gz GUPPSUSOYSFOHS-UHFFFAOYSA-N 2 1 367.493 3.413 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000444883050 500916735 /nfs/dbraw/zinc/91/67/35/500916735.db2.gz UPCVUDAIHFJXEK-UHFFFAOYSA-N 2 1 372.557 3.204 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449075643 500918747 /nfs/dbraw/zinc/91/87/47/500918747.db2.gz FRYHPIKRSVUAJL-UHFFFAOYSA-N 2 1 366.303 3.055 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000449083458 500920896 /nfs/dbraw/zinc/92/08/96/500920896.db2.gz BSXDIKAGNUWFDS-RTBURBONSA-N 2 1 357.542 3.073 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000582439981 506224260 /nfs/dbraw/zinc/22/42/60/506224260.db2.gz YLYWZOZEFAJTAV-WIYYLYMNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](C[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449086164 500921877 /nfs/dbraw/zinc/92/18/77/500921877.db2.gz QRSVKOOPUXYHAW-HLIPFELVSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160791 500937533 /nfs/dbraw/zinc/93/75/33/500937533.db2.gz COMUPDVAOQZFNV-HRAATJIYSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc(F)cc(F)c1 ZINC000449160791 500937536 /nfs/dbraw/zinc/93/75/36/500937536.db2.gz COMUPDVAOQZFNV-HRAATJIYSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000435371642 500961319 /nfs/dbraw/zinc/96/13/19/500961319.db2.gz VZDPIFFETMKXMO-NSHDSACASA-N 2 1 354.285 3.133 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)c2)cc1 ZINC000435370230 500961439 /nfs/dbraw/zinc/96/14/39/500961439.db2.gz IBIYOHVLUZOXSH-MAUKXSAKSA-N 2 1 353.466 3.117 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1[NH3+] ZINC000435377421 500962973 /nfs/dbraw/zinc/96/29/73/500962973.db2.gz BHCNHDJQNWBMTA-CXAGYDPISA-N 2 1 352.404 3.119 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1[NH3+] ZINC000435377421 500962976 /nfs/dbraw/zinc/96/29/76/500962976.db2.gz BHCNHDJQNWBMTA-CXAGYDPISA-N 2 1 352.404 3.119 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000435377241 500963051 /nfs/dbraw/zinc/96/30/51/500963051.db2.gz ZLWCPJWCPCZDCC-NSHDSACASA-N 2 1 354.285 3.133 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435380999 500964178 /nfs/dbraw/zinc/96/41/78/500964178.db2.gz UHPLKIYONWCBNE-VDGAXYAQSA-N 2 1 358.917 3.371 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435389026 500965902 /nfs/dbraw/zinc/96/59/02/500965902.db2.gz KIGMFVASVNMKGC-KKUMJFAQSA-N 2 1 358.404 3.196 20 0 FGADMP CC[N@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CCC[NH2+]CC1 ZINC000435388124 500966227 /nfs/dbraw/zinc/96/62/27/500966227.db2.gz CYGBIKHPOIINIU-CQSZACIVSA-N 2 1 351.292 3.061 20 0 FGADMP CC[N@@H+](Cc1cnc2ccc(Br)cn12)[C@@H]1CCC[NH2+]CC1 ZINC000435388124 500966230 /nfs/dbraw/zinc/96/62/30/500966230.db2.gz CYGBIKHPOIINIU-CQSZACIVSA-N 2 1 351.292 3.061 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000449296309 500969162 /nfs/dbraw/zinc/96/91/62/500969162.db2.gz YOOBJXZLPQFPKT-GOSISDBHSA-N 2 1 355.482 3.112 20 0 FGADMP Cc1cccc(CC[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449323809 500977866 /nfs/dbraw/zinc/97/78/66/500977866.db2.gz AZEJZQRQZFWYFR-BGYRXZFFSA-N 2 1 360.542 3.128 20 0 FGADMP Cc1cccc(CC[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000449323809 500977869 /nfs/dbraw/zinc/97/78/69/500977869.db2.gz AZEJZQRQZFWYFR-BGYRXZFFSA-N 2 1 360.542 3.128 20 0 FGADMP CN(CCC[N@@H+](C)Cc1cnc(-c2ccccc2F)s1)CC[NH+](C)C ZINC000449327227 500978442 /nfs/dbraw/zinc/97/84/42/500978442.db2.gz BYOMFRQSZPHELZ-UHFFFAOYSA-N 2 1 364.534 3.265 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165712 500983385 /nfs/dbraw/zinc/98/33/85/500983385.db2.gz UXHINKHLIFYTMY-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165712 500983387 /nfs/dbraw/zinc/98/33/87/500983387.db2.gz UXHINKHLIFYTMY-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449451076 501005800 /nfs/dbraw/zinc/00/58/00/501005800.db2.gz HRBSSYOGZDJQGN-JQHSSLGASA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449451076 501005802 /nfs/dbraw/zinc/00/58/02/501005802.db2.gz HRBSSYOGZDJQGN-JQHSSLGASA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449451076 501005804 /nfs/dbraw/zinc/00/58/04/501005804.db2.gz HRBSSYOGZDJQGN-JQHSSLGASA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000449451076 501005806 /nfs/dbraw/zinc/00/58/06/501005806.db2.gz HRBSSYOGZDJQGN-JQHSSLGASA-N 2 1 363.571 3.425 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCCC1 ZINC000435690069 501012483 /nfs/dbraw/zinc/01/24/83/501012483.db2.gz BBMGZHOOYZIJTP-SFHVURJKSA-N 2 1 361.555 3.141 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCCC1 ZINC000435690069 501012487 /nfs/dbraw/zinc/01/24/87/501012487.db2.gz BBMGZHOOYZIJTP-SFHVURJKSA-N 2 1 361.555 3.141 20 0 FGADMP CCO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449490819 501015549 /nfs/dbraw/zinc/01/55/49/501015549.db2.gz CZZSNDOMZJJWHR-XMSQKQJNSA-N 2 1 359.558 3.464 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449770395 501081541 /nfs/dbraw/zinc/08/15/41/501081541.db2.gz IQOLMGAFPNSFIJ-CWJKEVGVSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H](c3nccn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449770395 501081546 /nfs/dbraw/zinc/08/15/46/501081546.db2.gz IQOLMGAFPNSFIJ-CWJKEVGVSA-N 2 1 368.525 3.283 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[NH+]3CCC(C[NH+](C)C)CC3)cs2)c1 ZINC000441194427 501102006 /nfs/dbraw/zinc/10/20/06/501102006.db2.gz BRSKXGGJUDZNNY-UHFFFAOYSA-N 2 1 373.522 3.370 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446589539 501138406 /nfs/dbraw/zinc/13/84/06/501138406.db2.gz KWRYGIUHXMDVDZ-LJQANCHMSA-N 2 1 358.530 3.177 20 0 FGADMP CC[N@@H+](CC1(C(=O)OC)CC1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000450573353 501157714 /nfs/dbraw/zinc/15/77/14/501157714.db2.gz XAXYYHIWEXKGRT-UHFFFAOYSA-N 2 1 374.529 3.152 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](COC)C2CCCC2)CC1 ZINC000446744933 501159964 /nfs/dbraw/zinc/15/99/64/501159964.db2.gz KQHJKELEFXOUOX-QFIPXVFZSA-N 2 1 359.558 3.119 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000607721814 506238029 /nfs/dbraw/zinc/23/80/29/506238029.db2.gz VDAPBCUJGQUSAS-IAGOWNOFSA-N 2 1 362.518 3.011 20 0 FGADMP COc1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)ccc1Cl ZINC000450638109 501172129 /nfs/dbraw/zinc/17/21/29/501172129.db2.gz RWQVTDFMHFSTCT-UHFFFAOYSA-N 2 1 365.949 3.339 20 0 FGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(Cl)c(OC)c1 ZINC000451037677 501241191 /nfs/dbraw/zinc/24/11/91/501241191.db2.gz QCOZAKMQFGCIMB-UHFFFAOYSA-N 2 1 353.938 3.198 20 0 FGADMP CC[NH+](Cc1cc(C[N@H+](CC)[C@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000451047665 501241784 /nfs/dbraw/zinc/24/17/84/501241784.db2.gz CZIXMKMQOZJZJU-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451047665 501241785 /nfs/dbraw/zinc/24/17/85/501241785.db2.gz CZIXMKMQOZJZJU-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)[C@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000451047665 501241786 /nfs/dbraw/zinc/24/17/86/501241786.db2.gz CZIXMKMQOZJZJU-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)cc1OC ZINC000453062023 501261210 /nfs/dbraw/zinc/26/12/10/501261210.db2.gz OQCHVBRZSFTFAE-SJLPKXTDSA-N 2 1 372.513 3.408 20 0 FGADMP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000453118894 501272742 /nfs/dbraw/zinc/27/27/42/501272742.db2.gz JMSZVTLXPCCVPY-QGZVFWFLSA-N 2 1 350.466 3.422 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698594 501289776 /nfs/dbraw/zinc/28/97/76/501289776.db2.gz ZCIGDXYYYFICGH-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453217563 501293155 /nfs/dbraw/zinc/29/31/55/501293155.db2.gz PGCADEBVTFQASM-YASKCIBGSA-N 2 1 360.567 3.320 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453217563 501293156 /nfs/dbraw/zinc/29/31/56/501293156.db2.gz PGCADEBVTFQASM-YASKCIBGSA-N 2 1 360.567 3.320 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457734791 501297562 /nfs/dbraw/zinc/29/75/62/501297562.db2.gz KWAMYYUSRVXIQN-HDICACEKSA-N 2 1 354.583 3.164 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2NC[C@H]1CCC[N@H+]1CCCO ZINC000453278723 501306621 /nfs/dbraw/zinc/30/66/21/501306621.db2.gz ZDOLDXOSSSFJPD-SJLPKXTDSA-N 2 1 352.906 3.299 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457804729 501312671 /nfs/dbraw/zinc/31/26/71/501312671.db2.gz UMPYDTIHEFFHHY-LJQANCHMSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455483349 501315466 /nfs/dbraw/zinc/31/54/66/501315466.db2.gz XLZQXMORLJDNBZ-BRIRTLKKSA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@@H+]1C ZINC000453344827 501317943 /nfs/dbraw/zinc/31/79/43/501317943.db2.gz JQLLAZJVNZTGSK-KBMXLJTQSA-N 2 1 360.452 3.215 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@H+]1C ZINC000453344827 501317944 /nfs/dbraw/zinc/31/79/44/501317944.db2.gz JQLLAZJVNZTGSK-KBMXLJTQSA-N 2 1 360.452 3.215 20 0 FGADMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc(Br)c1O ZINC000453606213 501359701 /nfs/dbraw/zinc/35/97/01/501359701.db2.gz VICDQMRWVFETPG-UHFFFAOYSA-N 2 1 357.292 3.127 20 0 FGADMP O=C(C[N@@H+](Cc1ccoc1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000607742545 506248382 /nfs/dbraw/zinc/24/83/82/506248382.db2.gz MVYFMIDELPKVKB-UHFFFAOYSA-N 2 1 359.514 3.157 20 0 FGADMP C[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172537 501384455 /nfs/dbraw/zinc/38/44/55/501384455.db2.gz QUEXZQNDVCRSLG-SIKLNZKXSA-N 2 1 371.569 3.178 20 0 FGADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455912456 501413785 /nfs/dbraw/zinc/41/37/85/501413785.db2.gz JOIYXPMSQZHHCK-GQIGUUNPSA-N 2 1 358.530 3.477 20 0 FGADMP C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000452019750 501419679 /nfs/dbraw/zinc/41/96/79/501419679.db2.gz YZNHNUMFDMFLKM-MRXNPFEDSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H](CCNC(=O)NCc1ccc2c[nH+]cn2c1)[N@@H+](C)Cc1ccccc1 ZINC000458509777 501461994 /nfs/dbraw/zinc/46/19/94/501461994.db2.gz PCGZWGIUXVQQHL-KRWDZBQOSA-N 2 1 365.481 3.044 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522836 501465415 /nfs/dbraw/zinc/46/54/15/501465415.db2.gz YKYZSWDDSBZITK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000456206347 501474976 /nfs/dbraw/zinc/47/49/76/501474976.db2.gz QRWSMTNQNNXXGZ-GOSISDBHSA-N 2 1 363.521 3.274 20 0 FGADMP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000456346206 501505587 /nfs/dbraw/zinc/50/55/87/501505587.db2.gz SMZDQTQACYUHRV-KRWDZBQOSA-N 2 1 371.550 3.404 20 0 FGADMP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000456346206 501505588 /nfs/dbraw/zinc/50/55/88/501505588.db2.gz SMZDQTQACYUHRV-KRWDZBQOSA-N 2 1 371.550 3.404 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000458729792 501517043 /nfs/dbraw/zinc/51/70/43/501517043.db2.gz JNUXPJGYOWAAGW-SFHVURJKSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454367399 501524802 /nfs/dbraw/zinc/52/48/02/501524802.db2.gz DUAZJQAGKGSQAO-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC1 ZINC000452736241 501553980 /nfs/dbraw/zinc/55/39/80/501553980.db2.gz YTCAMAZXAJEFCG-UHFFFAOYSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459263206 501621396 /nfs/dbraw/zinc/62/13/96/501621396.db2.gz MCIVCLWCSRNVNY-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000598993896 506266333 /nfs/dbraw/zinc/26/63/33/506266333.db2.gz DQKZMGLXMPIMFX-AWEZNQCLSA-N 2 1 360.454 3.050 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000457515779 501714664 /nfs/dbraw/zinc/71/46/64/501714664.db2.gz BOVLBEAHYFZPJB-HXUWFJFHSA-N 2 1 372.557 3.204 20 0 FGADMP Cc1ccc(CCC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000474269967 501768612 /nfs/dbraw/zinc/76/86/12/501768612.db2.gz IHCNQASJBOMUPD-UHFFFAOYSA-N 3 1 372.601 3.451 20 0 FGADMP Cc1ccc(CCC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000474269967 501768620 /nfs/dbraw/zinc/76/86/20/501768620.db2.gz IHCNQASJBOMUPD-UHFFFAOYSA-N 4 1 372.601 3.451 20 0 FGADMP Cc1ccc(CCC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000474269967 501768628 /nfs/dbraw/zinc/76/86/28/501768628.db2.gz IHCNQASJBOMUPD-UHFFFAOYSA-N 4 1 372.601 3.451 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000467353856 501775541 /nfs/dbraw/zinc/77/55/41/501775541.db2.gz BDOGAUCHSSZOBQ-MOUTVQLLSA-N 2 1 364.533 3.399 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000467369508 501778569 /nfs/dbraw/zinc/77/85/69/501778569.db2.gz ZAABKNLYSOMRBX-UARRHKHWSA-N 2 1 364.533 3.399 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1I ZINC000467381973 501781455 /nfs/dbraw/zinc/78/14/55/501781455.db2.gz OBPFMBHLBTZHGT-GJZGRUSLSA-N 2 1 370.278 3.316 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@H]1C ZINC000463736994 501806286 /nfs/dbraw/zinc/80/62/86/501806286.db2.gz XOCAXFYBSWAJGJ-DGQTTZFYSA-N 2 1 357.542 3.298 20 0 FGADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385788 501811316 /nfs/dbraw/zinc/81/13/16/501811316.db2.gz GCWSVTBCFSEHOF-RTBURBONSA-N 2 1 363.571 3.013 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858061 501811497 /nfs/dbraw/zinc/81/14/97/501811497.db2.gz KJSRDBHQTWGQHU-KAGYGMCKSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858061 501811502 /nfs/dbraw/zinc/81/15/02/501811502.db2.gz KJSRDBHQTWGQHU-KAGYGMCKSA-N 2 1 363.505 3.292 20 0 FGADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCCC1 ZINC000485497993 501838011 /nfs/dbraw/zinc/83/80/11/501838011.db2.gz YMMOAUVCOQWUKS-UHFFFAOYSA-N 2 1 369.553 3.423 20 0 FGADMP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000474464488 501844975 /nfs/dbraw/zinc/84/49/75/501844975.db2.gz POTKKULXSZNUDL-FGZHOGPDSA-N 2 1 359.558 3.119 20 0 FGADMP COC(=O)C1CC[NH+](CCCNc2cc(C)[nH+]c3c(OC)cccc23)CC1 ZINC000481696492 501852972 /nfs/dbraw/zinc/85/29/72/501852972.db2.gz NQDZYKVOCXJITH-UHFFFAOYSA-N 2 1 371.481 3.239 20 0 FGADMP CC[C@@H](C[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000481733834 501868361 /nfs/dbraw/zinc/86/83/61/501868361.db2.gz JNXPLWZNEWXIBZ-SFHVURJKSA-N 2 1 357.542 3.245 20 0 FGADMP O[C@H](CCc1ccccc1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470993045 501885503 /nfs/dbraw/zinc/88/55/03/501885503.db2.gz AYUGVMCQBAPVLH-XPWALMASSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470993045 501885510 /nfs/dbraw/zinc/88/55/10/501885510.db2.gz AYUGVMCQBAPVLH-XPWALMASSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470993045 501885514 /nfs/dbraw/zinc/88/55/14/501885514.db2.gz AYUGVMCQBAPVLH-XPWALMASSA-N 2 1 350.506 3.044 20 0 FGADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000470994213 501886731 /nfs/dbraw/zinc/88/67/31/501886731.db2.gz DPZPEUHANGCPED-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000470994213 501886733 /nfs/dbraw/zinc/88/67/33/501886733.db2.gz DPZPEUHANGCPED-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1cccc(F)c1 ZINC000470994213 501886735 /nfs/dbraw/zinc/88/67/35/501886735.db2.gz DPZPEUHANGCPED-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460659855 501888132 /nfs/dbraw/zinc/88/81/32/501888132.db2.gz XQDUFRQYZIHUKV-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460659855 501888137 /nfs/dbraw/zinc/88/81/37/501888137.db2.gz XQDUFRQYZIHUKV-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460659855 501888142 /nfs/dbraw/zinc/88/81/42/501888142.db2.gz XQDUFRQYZIHUKV-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000467843313 501888888 /nfs/dbraw/zinc/88/88/88/501888888.db2.gz WDDIOBCYWVJRFS-QGZVFWFLSA-N 2 1 370.493 3.387 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468007035 501927873 /nfs/dbraw/zinc/92/78/73/501927873.db2.gz UJZRUULDEGJPHB-AZUAARDMSA-N 2 1 372.557 3.242 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000485790162 501938259 /nfs/dbraw/zinc/93/82/59/501938259.db2.gz SLHNCSGTILTMPT-JOCHJYFZSA-N 2 1 365.521 3.371 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000485790162 501938265 /nfs/dbraw/zinc/93/82/65/501938265.db2.gz SLHNCSGTILTMPT-JOCHJYFZSA-N 2 1 365.521 3.371 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)c1ccccc1 ZINC000482084093 501970015 /nfs/dbraw/zinc/97/00/15/501970015.db2.gz WTGUASNVJMRGFY-QMMLZNLJSA-N 2 1 357.542 3.497 20 0 FGADMP CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000478408687 501971671 /nfs/dbraw/zinc/97/16/71/501971671.db2.gz VSOKVJQERRWSIR-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000482132849 501984861 /nfs/dbraw/zinc/98/48/61/501984861.db2.gz IPDMCLSLBDXWCH-PXNSSMCTSA-N 2 1 374.529 3.074 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000482138571 501987079 /nfs/dbraw/zinc/98/70/79/501987079.db2.gz CLHSDNUQPWQXCZ-QRFRQXIXSA-N 2 1 363.521 3.321 20 0 FGADMP COCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cc(Br)ccc1F ZINC000482235270 502014356 /nfs/dbraw/zinc/01/43/56/502014356.db2.gz PTDIBYVDSLGXJH-OCCSQVGLSA-N 2 1 359.283 3.350 20 0 FGADMP COCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cc(Br)ccc1F ZINC000482235270 502014361 /nfs/dbraw/zinc/01/43/61/502014361.db2.gz PTDIBYVDSLGXJH-OCCSQVGLSA-N 2 1 359.283 3.350 20 0 FGADMP C[C@H](C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033790 502028099 /nfs/dbraw/zinc/02/80/99/502028099.db2.gz SJABYYTVKBHVLN-NQIIRXRSSA-N 2 1 353.510 3.141 20 0 FGADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259270 502103209 /nfs/dbraw/zinc/10/32/09/502103209.db2.gz POALNRNCOMCPDU-AYOQOUSVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259270 502103212 /nfs/dbraw/zinc/10/32/12/502103212.db2.gz POALNRNCOMCPDU-AYOQOUSVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000486259270 502103215 /nfs/dbraw/zinc/10/32/15/502103215.db2.gz POALNRNCOMCPDU-AYOQOUSVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000486259270 502103217 /nfs/dbraw/zinc/10/32/17/502103217.db2.gz POALNRNCOMCPDU-AYOQOUSVSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553582 502103577 /nfs/dbraw/zinc/10/35/77/502103577.db2.gz LTBYMRFCEPURQA-XMSQKQJNSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553582 502103581 /nfs/dbraw/zinc/10/35/81/502103581.db2.gz LTBYMRFCEPURQA-XMSQKQJNSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553581 502103968 /nfs/dbraw/zinc/10/39/68/502103968.db2.gz LTBYMRFCEPURQA-PGRDOPGGSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553581 502103975 /nfs/dbraw/zinc/10/39/75/502103975.db2.gz LTBYMRFCEPURQA-PGRDOPGGSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265189 502104753 /nfs/dbraw/zinc/10/47/53/502104753.db2.gz GCGIFQABBHVMDU-UGKGYDQZSA-N 2 1 371.569 3.035 20 0 FGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838498 502113337 /nfs/dbraw/zinc/11/33/37/502113337.db2.gz WLHONCMGXJPYQD-UZLBHIALSA-N 2 1 373.541 3.358 20 0 FGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838498 502113341 /nfs/dbraw/zinc/11/33/41/502113341.db2.gz WLHONCMGXJPYQD-UZLBHIALSA-N 2 1 373.541 3.358 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC000461474931 502128961 /nfs/dbraw/zinc/12/89/61/502128961.db2.gz TXVJIHJCFOAUON-WOJBJXKFSA-N 2 1 366.509 3.179 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCc2[nH+]ccn21 ZINC000461474931 502128963 /nfs/dbraw/zinc/12/89/63/502128963.db2.gz TXVJIHJCFOAUON-WOJBJXKFSA-N 2 1 366.509 3.179 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000478967977 502132688 /nfs/dbraw/zinc/13/26/88/502132688.db2.gz WMHULIMFJLPROL-IEZWGBDMSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000478967977 502132690 /nfs/dbraw/zinc/13/26/90/502132690.db2.gz WMHULIMFJLPROL-IEZWGBDMSA-N 2 1 363.933 3.199 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2c3ccccc3-c3ccccc32)CC1 ZINC000464885652 502138099 /nfs/dbraw/zinc/13/80/99/502138099.db2.gz IZOADIGINORLJI-UHFFFAOYSA-N 2 1 363.505 3.289 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831107 502148166 /nfs/dbraw/zinc/14/81/66/502148166.db2.gz KBOJVDKTBJKBKT-VXKWHMMOSA-N 2 1 365.521 3.218 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947088 502153600 /nfs/dbraw/zinc/15/36/00/502153600.db2.gz DJTJYWHTEFBPER-RBUKOAKNSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000464947088 502153609 /nfs/dbraw/zinc/15/36/09/502153609.db2.gz DJTJYWHTEFBPER-RBUKOAKNSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000464947088 502153614 /nfs/dbraw/zinc/15/36/14/502153614.db2.gz DJTJYWHTEFBPER-RBUKOAKNSA-N 2 1 366.594 3.164 20 0 FGADMP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)ccc1F ZINC000486439687 502154087 /nfs/dbraw/zinc/15/40/87/502154087.db2.gz YPVRMCUEPGBKSY-SFHVURJKSA-N 2 1 364.509 3.268 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccc2ccccc21 ZINC000482889045 502207663 /nfs/dbraw/zinc/20/76/63/502207663.db2.gz STQKSOIUZYIZJX-KRWDZBQOSA-N 2 1 353.510 3.433 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000472051712 502211985 /nfs/dbraw/zinc/21/19/85/502211985.db2.gz IJKSCEKNBNLTMR-UXHICEINSA-N 2 1 360.546 3.195 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000482969330 502231769 /nfs/dbraw/zinc/23/17/69/502231769.db2.gz DZSMKNRNOZDZEN-QGZVFWFLSA-N 2 1 351.922 3.181 20 0 FGADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472142166 502245848 /nfs/dbraw/zinc/24/58/48/502245848.db2.gz LPHPWBKSFGZLQZ-HXUWFJFHSA-N 2 1 357.542 3.213 20 0 FGADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725135 502265824 /nfs/dbraw/zinc/26/58/24/502265824.db2.gz XYMSWCQLKGLSGI-CEXWTWQISA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472195879 502266146 /nfs/dbraw/zinc/26/61/46/502266146.db2.gz VWJPWFLBMIUZNX-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910452 502300461 /nfs/dbraw/zinc/30/04/61/502300461.db2.gz HYKRGKUYFRIWFK-GHTZIAJQSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CC2CC2)C2CCC2)CC1 ZINC000483310608 502347372 /nfs/dbraw/zinc/34/73/72/502347372.db2.gz RCVDAMRRANVTFH-GOSISDBHSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000483310608 502347378 /nfs/dbraw/zinc/34/73/78/502347378.db2.gz RCVDAMRRANVTFH-GOSISDBHSA-N 2 1 355.526 3.156 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000465721452 502359876 /nfs/dbraw/zinc/35/98/76/502359876.db2.gz KGYFMGUKBQXRQJ-CEWLAPEOSA-N 2 1 372.557 3.242 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498480 502371116 /nfs/dbraw/zinc/37/11/16/502371116.db2.gz KAERJWKXOCJSNO-FPOVZHCZSA-N 2 1 374.569 3.388 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498480 502371122 /nfs/dbraw/zinc/37/11/22/502371122.db2.gz KAERJWKXOCJSNO-FPOVZHCZSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498480 502371128 /nfs/dbraw/zinc/37/11/28/502371128.db2.gz KAERJWKXOCJSNO-FPOVZHCZSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498480 502371132 /nfs/dbraw/zinc/37/11/32/502371132.db2.gz KAERJWKXOCJSNO-FPOVZHCZSA-N 2 1 374.569 3.388 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000465813830 502392830 /nfs/dbraw/zinc/39/28/30/502392830.db2.gz OSGVWIDCZVIKBB-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)[NH+](C)C)cc1 ZINC000483513093 502416117 /nfs/dbraw/zinc/41/61/17/502416117.db2.gz BGNYTCRBNQEHQL-QMMLZNLJSA-N 2 1 374.573 3.366 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Oc1ccccc1 ZINC000462396133 502420516 /nfs/dbraw/zinc/42/05/16/502420516.db2.gz NXVQUCUHJWVWKB-QFIPXVFZSA-N 2 1 365.477 3.493 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000479941147 502425860 /nfs/dbraw/zinc/42/58/60/502425860.db2.gz NYBGYYGPAPZEJD-OAHLLOKOSA-N 2 1 359.495 3.066 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000479941147 502425862 /nfs/dbraw/zinc/42/58/62/502425862.db2.gz NYBGYYGPAPZEJD-OAHLLOKOSA-N 2 1 359.495 3.066 20 0 FGADMP O=C(Nc1cccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000479941005 502426193 /nfs/dbraw/zinc/42/61/93/502426193.db2.gz MIHAGZIOGNSLAA-IYBDPMFKSA-N 2 1 355.869 3.244 20 0 FGADMP O=C(Nc1cccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000479941005 502426200 /nfs/dbraw/zinc/42/62/00/502426200.db2.gz MIHAGZIOGNSLAA-IYBDPMFKSA-N 2 1 355.869 3.244 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1C ZINC000483683313 502462052 /nfs/dbraw/zinc/46/20/52/502462052.db2.gz KZVSKJIPYUEOES-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP COc1cc(OC)cc(N2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)c1 ZINC000472933636 502475268 /nfs/dbraw/zinc/47/52/68/502475268.db2.gz KISHVJLLSFPTIU-GOSISDBHSA-N 2 1 361.530 3.090 20 0 FGADMP COc1cc(OC)cc(N2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472933636 502475273 /nfs/dbraw/zinc/47/52/73/502475273.db2.gz KISHVJLLSFPTIU-GOSISDBHSA-N 2 1 361.530 3.090 20 0 FGADMP COc1cc(OC)cc(N2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000472933636 502475276 /nfs/dbraw/zinc/47/52/76/502475276.db2.gz KISHVJLLSFPTIU-GOSISDBHSA-N 2 1 361.530 3.090 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483794643 502494878 /nfs/dbraw/zinc/49/48/78/502494878.db2.gz QIJLIVUNPLHZKK-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483794643 502494882 /nfs/dbraw/zinc/49/48/82/502494882.db2.gz QIJLIVUNPLHZKK-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483794643 502494886 /nfs/dbraw/zinc/49/48/86/502494886.db2.gz QIJLIVUNPLHZKK-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191339 502496518 /nfs/dbraw/zinc/49/65/18/502496518.db2.gz OHFPYUPCYSNKRQ-UONOGXRCSA-N 2 1 365.424 3.036 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242323 502514667 /nfs/dbraw/zinc/51/46/67/502514667.db2.gz URQNKFVPIZIUKM-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480259568 502516381 /nfs/dbraw/zinc/51/63/81/502516381.db2.gz OBZFUHRIHYNUMB-INIZCTEOSA-N 2 1 367.559 3.363 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1cccc(NS(C)(=O)=O)c1 ZINC000480259568 502516384 /nfs/dbraw/zinc/51/63/84/502516384.db2.gz OBZFUHRIHYNUMB-INIZCTEOSA-N 2 1 367.559 3.363 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000462639672 502517034 /nfs/dbraw/zinc/51/70/34/502517034.db2.gz IKAQVCHGWKJFQS-HSZRJFAPSA-N 2 1 363.505 3.144 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000473170115 502534719 /nfs/dbraw/zinc/53/47/19/502534719.db2.gz DVXNZNDXAFBLDJ-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000473170115 502534724 /nfs/dbraw/zinc/53/47/24/502534724.db2.gz DVXNZNDXAFBLDJ-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000473170115 502534728 /nfs/dbraw/zinc/53/47/28/502534728.db2.gz DVXNZNDXAFBLDJ-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765930 502537407 /nfs/dbraw/zinc/53/74/07/502537407.db2.gz AETTYZOHUDQRBX-GDBMZVCRSA-N 2 1 362.411 3.404 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765930 502537409 /nfs/dbraw/zinc/53/74/09/502537409.db2.gz AETTYZOHUDQRBX-GDBMZVCRSA-N 2 1 362.411 3.404 20 0 FGADMP CC(C)CN(C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000469767863 502537663 /nfs/dbraw/zinc/53/76/63/502537663.db2.gz ZZZKRKPSKGPTNT-OALUTQOASA-N 2 1 371.569 3.380 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330475 502538939 /nfs/dbraw/zinc/53/89/39/502538939.db2.gz HFMZMZWIFUVRLA-CUDBPUKSSA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466330475 502538945 /nfs/dbraw/zinc/53/89/45/502538945.db2.gz HFMZMZWIFUVRLA-CUDBPUKSSA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466330475 502538948 /nfs/dbraw/zinc/53/89/48/502538948.db2.gz HFMZMZWIFUVRLA-CUDBPUKSSA-N 2 1 367.537 3.032 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000466365953 502548922 /nfs/dbraw/zinc/54/89/22/502548922.db2.gz YVBNORHRROPQQU-IITNATTFSA-N 2 1 372.553 3.328 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000476654289 502552238 /nfs/dbraw/zinc/55/22/38/502552238.db2.gz LCFMKACHMWFEEX-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000476654289 502552242 /nfs/dbraw/zinc/55/22/42/502552242.db2.gz LCFMKACHMWFEEX-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3n2C)CC1 ZINC000469846378 502566318 /nfs/dbraw/zinc/56/63/18/502566318.db2.gz KSGPWIOIWPPBNM-UHFFFAOYSA-N 2 1 354.420 3.414 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487965479 502582115 /nfs/dbraw/zinc/58/21/15/502582115.db2.gz TWJFUHGIZCYYSZ-ROUUACIJSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823675 502588686 /nfs/dbraw/zinc/58/86/86/502588686.db2.gz WGUNHIGXGNYMNO-SYYKKAFVSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823675 502588691 /nfs/dbraw/zinc/58/86/91/502588691.db2.gz WGUNHIGXGNYMNO-SYYKKAFVSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823675 502588695 /nfs/dbraw/zinc/58/86/95/502588695.db2.gz WGUNHIGXGNYMNO-SYYKKAFVSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609545 502618787 /nfs/dbraw/zinc/61/87/87/502618787.db2.gz LPDNTNBEILAVCS-IRXDYDNUSA-N 2 1 367.559 3.363 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000469994682 502622597 /nfs/dbraw/zinc/62/25/97/502622597.db2.gz ULKUVOHYUVATNT-SJKOYZFVSA-N 2 1 363.303 3.112 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000469994682 502622605 /nfs/dbraw/zinc/62/26/05/502622605.db2.gz ULKUVOHYUVATNT-SJKOYZFVSA-N 2 1 363.303 3.112 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000476928184 502624437 /nfs/dbraw/zinc/62/44/37/502624437.db2.gz GIQMEAUAIUBBGE-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP OCC[N@H+](CCC[NH+]1CCCCC1)Cc1cccc(Br)c1 ZINC000488185039 502650628 /nfs/dbraw/zinc/65/06/28/502650628.db2.gz OVYZIIYUQFJPDX-UHFFFAOYSA-N 2 1 355.320 3.119 20 0 FGADMP OCC[N@@H+](CCC[NH+]1CCCCC1)Cc1cccc(Br)c1 ZINC000488185039 502650635 /nfs/dbraw/zinc/65/06/35/502650635.db2.gz OVYZIIYUQFJPDX-UHFFFAOYSA-N 2 1 355.320 3.119 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[NH+](CC)CC ZINC000470083512 502653698 /nfs/dbraw/zinc/65/36/98/502653698.db2.gz VYEPUWBBOWIIBD-XLIONFOSSA-N 2 1 361.530 3.466 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466723844 502654866 /nfs/dbraw/zinc/65/48/66/502654866.db2.gz ZFJZJIDPIVSCAP-HXUWFJFHSA-N 2 1 371.569 3.444 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000463061813 502680251 /nfs/dbraw/zinc/68/02/51/502680251.db2.gz LHSKAEJWJPAAMV-ZCNNSNEGSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000463061813 502680253 /nfs/dbraw/zinc/68/02/53/502680253.db2.gz LHSKAEJWJPAAMV-ZCNNSNEGSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000463061813 502680254 /nfs/dbraw/zinc/68/02/54/502680254.db2.gz LHSKAEJWJPAAMV-ZCNNSNEGSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)c1ccc(CCNC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000488319494 502682923 /nfs/dbraw/zinc/68/29/23/502682923.db2.gz BYHSNLWJDOJBHN-UHFFFAOYSA-N 2 1 371.569 3.277 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000477192575 502703591 /nfs/dbraw/zinc/70/35/91/502703591.db2.gz KJUGEVBFXZMGJP-HBMCJLEFSA-N 2 1 372.557 3.069 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOc3ncccc3F)CC2)cc1 ZINC000463188627 502715268 /nfs/dbraw/zinc/71/52/68/502715268.db2.gz DTQDVDLZZBHNOZ-UHFFFAOYSA-N 2 1 361.436 3.035 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466922233 502727110 /nfs/dbraw/zinc/72/71/10/502727110.db2.gz VTROXXRYGZDGEI-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000488513706 502737642 /nfs/dbraw/zinc/73/76/42/502737642.db2.gz HUMLGTQRSXHXNJ-WIYYLYMNSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466974693 502742862 /nfs/dbraw/zinc/74/28/62/502742862.db2.gz AKJQQRCVFVXVTL-IBGZPJMESA-N 2 1 374.573 3.245 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000477340484 502747793 /nfs/dbraw/zinc/74/77/93/502747793.db2.gz UENILOLAKATWOU-OAQYLSRUSA-N 2 1 374.573 3.414 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000488555298 502749992 /nfs/dbraw/zinc/74/99/92/502749992.db2.gz GCMTZVHITZOZFC-PZJWPPBQSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000470364451 502750807 /nfs/dbraw/zinc/75/08/07/502750807.db2.gz LLFDPWKVEUWXEL-QFIPXVFZSA-N 2 1 363.505 3.103 20 0 FGADMP c1ccc2cc(OCCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000484901711 502770024 /nfs/dbraw/zinc/77/00/24/502770024.db2.gz ADBMYFPMHKKUET-BHDDXSALSA-N 2 1 354.494 3.355 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)CC1 ZINC000484918047 502776379 /nfs/dbraw/zinc/77/63/79/502776379.db2.gz JREQMIWFZFERBL-UHFFFAOYSA-N 2 1 368.905 3.312 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)CC1 ZINC000484918047 502776384 /nfs/dbraw/zinc/77/63/84/502776384.db2.gz JREQMIWFZFERBL-UHFFFAOYSA-N 2 1 368.905 3.312 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000481186550 502777162 /nfs/dbraw/zinc/77/71/62/502777162.db2.gz DKIYRFRSNZTNNW-JKBKZWBZSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000481186550 502777164 /nfs/dbraw/zinc/77/71/64/502777164.db2.gz DKIYRFRSNZTNNW-JKBKZWBZSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991927 502794229 /nfs/dbraw/zinc/79/42/29/502794229.db2.gz WNHZQJRRZVDAIE-XKGZKEIXSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991927 502794233 /nfs/dbraw/zinc/79/42/33/502794233.db2.gz WNHZQJRRZVDAIE-XKGZKEIXSA-N 2 1 357.542 3.317 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000470495256 502795011 /nfs/dbraw/zinc/79/50/11/502795011.db2.gz SXQMBQROEWIAGT-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)CC1 ZINC000474102170 502809775 /nfs/dbraw/zinc/80/97/75/502809775.db2.gz CUDDVKQEQLCHLD-OAQYLSRUSA-N 2 1 357.542 3.089 20 0 FGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000513025615 502833877 /nfs/dbraw/zinc/83/38/77/502833877.db2.gz HZQMCQXZKDSLEN-VDUFWMCCSA-N 2 1 363.933 3.276 20 0 FGADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000513025615 502833880 /nfs/dbraw/zinc/83/38/80/502833880.db2.gz HZQMCQXZKDSLEN-VDUFWMCCSA-N 2 1 363.933 3.276 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)CC1 ZINC000513453852 502942562 /nfs/dbraw/zinc/94/25/62/502942562.db2.gz AZHDIGSQDTXXQA-KRWDZBQOSA-N 2 1 357.473 3.298 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccsc1 ZINC000501163488 502951980 /nfs/dbraw/zinc/95/19/80/502951980.db2.gz MQBHUCXACLUQIA-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961748 /nfs/dbraw/zinc/96/17/48/502961748.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961754 /nfs/dbraw/zinc/96/17/54/502961754.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961760 /nfs/dbraw/zinc/96/17/60/502961760.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 2 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961764 /nfs/dbraw/zinc/96/17/64/502961764.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 3 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664768 502961768 /nfs/dbraw/zinc/96/17/68/502961768.db2.gz IJWQSSICOSAUFO-RBBKRZOGSA-N 3 1 358.574 3.003 20 0 FGADMP c1ccc(N2CCN(CCC[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694617 502969740 /nfs/dbraw/zinc/96/97/40/502969740.db2.gz DKVNSALNPODSJF-QHCPKHFHSA-N 2 1 370.585 3.149 20 0 FGADMP c1ccc(N2CCN(CCC[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694617 502969743 /nfs/dbraw/zinc/96/97/43/502969743.db2.gz DKVNSALNPODSJF-QHCPKHFHSA-N 2 1 370.585 3.149 20 0 FGADMP c1ccc(N2CCN(CCC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699673 502970649 /nfs/dbraw/zinc/97/06/49/502970649.db2.gz RTPGPSFVUQBMLY-JOCHJYFZSA-N 2 1 370.585 3.007 20 0 FGADMP c1ccc(N2CCN(CCC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)CC2)cc1 ZINC000509699673 502970650 /nfs/dbraw/zinc/97/06/50/502970650.db2.gz RTPGPSFVUQBMLY-JOCHJYFZSA-N 2 1 370.585 3.007 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511262 502976545 /nfs/dbraw/zinc/97/65/45/502976545.db2.gz SINCLEKZXUHPLV-XLIONFOSSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511262 502976550 /nfs/dbraw/zinc/97/65/50/502976550.db2.gz SINCLEKZXUHPLV-XLIONFOSSA-N 2 1 359.514 3.283 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818804 503030139 /nfs/dbraw/zinc/03/01/39/503030139.db2.gz KMCCJLJMDNVDHG-GOSISDBHSA-N 2 1 373.541 3.010 20 0 FGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000489798379 503038428 /nfs/dbraw/zinc/03/84/28/503038428.db2.gz XDNNYONCCWHVCV-ZDUSSCGKSA-N 2 1 372.282 3.120 20 0 FGADMP C[C@H](c1cccs1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000513883160 503041489 /nfs/dbraw/zinc/04/14/89/503041489.db2.gz XPSWQBFBKMVUJQ-GOSISDBHSA-N 2 1 371.550 3.475 20 0 FGADMP C[C@H](c1cccs1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000513883160 503041494 /nfs/dbraw/zinc/04/14/94/503041494.db2.gz XPSWQBFBKMVUJQ-GOSISDBHSA-N 2 1 371.550 3.475 20 0 FGADMP C[N@@H+](CCCNC(=O)NCCC[NH2+]C1CCCCC1)C1CCCCC1 ZINC000501577322 503043289 /nfs/dbraw/zinc/04/32/89/503043289.db2.gz AESILUMYVPAWCL-UHFFFAOYSA-N 2 1 352.567 3.253 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836883 503046029 /nfs/dbraw/zinc/04/60/29/503046029.db2.gz BOGAVVIJLKXASA-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836883 503046032 /nfs/dbraw/zinc/04/60/32/503046032.db2.gz BOGAVVIJLKXASA-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489836883 503046038 /nfs/dbraw/zinc/04/60/38/503046038.db2.gz BOGAVVIJLKXASA-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000510169523 503063415 /nfs/dbraw/zinc/06/34/15/503063415.db2.gz MAXZHFFHKBBBSU-ROUUACIJSA-N 2 1 354.494 3.334 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000510169523 503063419 /nfs/dbraw/zinc/06/34/19/503063419.db2.gz MAXZHFFHKBBBSU-ROUUACIJSA-N 2 1 354.494 3.334 20 0 FGADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000501749822 503071917 /nfs/dbraw/zinc/07/19/17/503071917.db2.gz URNOSMNBTRRIEK-LJQANCHMSA-N 2 1 365.949 3.495 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032289 503072248 /nfs/dbraw/zinc/07/22/48/503072248.db2.gz FEUVHASHBGHRRH-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260146 503080457 /nfs/dbraw/zinc/08/04/57/503080457.db2.gz RRMPVNCOSCPJDJ-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260146 503080463 /nfs/dbraw/zinc/08/04/63/503080463.db2.gz RRMPVNCOSCPJDJ-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260146 503080468 /nfs/dbraw/zinc/08/04/68/503080468.db2.gz RRMPVNCOSCPJDJ-HLAWJBBLSA-N 2 1 357.542 3.278 20 0 FGADMP CCC1CCC([N@@H+](C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000514086201 503083585 /nfs/dbraw/zinc/08/35/85/503083585.db2.gz ZQHASJCRCHKWLU-UHFFFAOYSA-N 2 1 373.541 3.358 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000514118725 503092858 /nfs/dbraw/zinc/09/28/58/503092858.db2.gz MQAHKXVJLXMRKS-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846879 503092865 /nfs/dbraw/zinc/09/28/65/503092865.db2.gz AZHPHKYHROTULX-FPOVZHCZSA-N 2 1 372.557 3.387 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055286 503097199 /nfs/dbraw/zinc/09/71/99/503097199.db2.gz ODIIOLTZGVYFAG-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055286 503097203 /nfs/dbraw/zinc/09/72/03/503097203.db2.gz ODIIOLTZGVYFAG-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000498055286 503097205 /nfs/dbraw/zinc/09/72/05/503097205.db2.gz ODIIOLTZGVYFAG-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000498055286 503097209 /nfs/dbraw/zinc/09/72/09/503097209.db2.gz ODIIOLTZGVYFAG-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000514636624 503154682 /nfs/dbraw/zinc/15/46/82/503154682.db2.gz AUUGJGLYCCPVNS-ICSRJNTNSA-N 2 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000514636624 503154685 /nfs/dbraw/zinc/15/46/85/503154685.db2.gz AUUGJGLYCCPVNS-ICSRJNTNSA-N 2 1 361.599 3.314 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506716536 503160365 /nfs/dbraw/zinc/16/03/65/503160365.db2.gz NBDBCRYVDSPTTK-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP C[C@@H]1C[C@@H](N[C@@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000502342273 503183759 /nfs/dbraw/zinc/18/37/59/503183759.db2.gz BDHJEASOXVXJIF-XHBSWPGZSA-N 2 1 351.288 3.488 20 0 FGADMP C[C@@H]1C[C@@H](N[C@@H]2CCOc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000502342273 503183762 /nfs/dbraw/zinc/18/37/62/503183762.db2.gz BDHJEASOXVXJIF-XHBSWPGZSA-N 2 1 351.288 3.488 20 0 FGADMP CSC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761937 503186802 /nfs/dbraw/zinc/18/68/02/503186802.db2.gz PJEFMDVDVSXONX-QUCCMNQESA-N 3 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761937 503186806 /nfs/dbraw/zinc/18/68/06/503186806.db2.gz PJEFMDVDVSXONX-QUCCMNQESA-N 2 1 361.599 3.314 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)c2)C[C@@H](C)O1 ZINC000498634901 503229298 /nfs/dbraw/zinc/22/92/98/503229298.db2.gz CNGVWYFKBDGKSI-DBXWQHBBSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c2)C[C@@H](C)O1 ZINC000498634901 503229303 /nfs/dbraw/zinc/22/93/03/503229303.db2.gz CNGVWYFKBDGKSI-DBXWQHBBSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000502633276 503242460 /nfs/dbraw/zinc/24/24/60/503242460.db2.gz XTCJWWPJNFZBRQ-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000502700685 503254042 /nfs/dbraw/zinc/25/40/42/503254042.db2.gz DMHALVGJMDSWIT-OAQYLSRUSA-N 2 1 366.509 3.021 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N1CCCC1 ZINC000502700685 503254045 /nfs/dbraw/zinc/25/40/45/503254045.db2.gz DMHALVGJMDSWIT-OAQYLSRUSA-N 2 1 366.509 3.021 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cncnc3C)CC2)cs1 ZINC000582677272 506360933 /nfs/dbraw/zinc/36/09/33/506360933.db2.gz PKLGQURLPNOFSX-AWEZNQCLSA-N 2 1 359.543 3.367 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000511135882 503265893 /nfs/dbraw/zinc/26/58/93/503265893.db2.gz QQVGKVQZFXKHOI-KRWDZBQOSA-N 2 1 368.905 3.059 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C(=O)OC)ccc2Cl)C1 ZINC000511135882 503265897 /nfs/dbraw/zinc/26/58/97/503265897.db2.gz QQVGKVQZFXKHOI-KRWDZBQOSA-N 2 1 368.905 3.059 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000502865426 503292430 /nfs/dbraw/zinc/29/24/30/503292430.db2.gz YXIIVJPAHSWIOS-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511290427 503293751 /nfs/dbraw/zinc/29/37/51/503293751.db2.gz FTSHDCWOKINMSC-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511290427 503293752 /nfs/dbraw/zinc/29/37/52/503293752.db2.gz FTSHDCWOKINMSC-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511290427 503293755 /nfs/dbraw/zinc/29/37/55/503293755.db2.gz FTSHDCWOKINMSC-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000511290425 503293797 /nfs/dbraw/zinc/29/37/97/503293797.db2.gz FTSHDCWOKINMSC-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511290425 503293800 /nfs/dbraw/zinc/29/38/00/503293800.db2.gz FTSHDCWOKINMSC-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000511290425 503293801 /nfs/dbraw/zinc/29/38/01/503293801.db2.gz FTSHDCWOKINMSC-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000491402411 503304050 /nfs/dbraw/zinc/30/40/50/503304050.db2.gz UCOVOWKCUKKHLX-UHFFFAOYSA-N 2 1 354.498 3.364 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000515347922 503320707 /nfs/dbraw/zinc/32/07/07/503320707.db2.gz QRAQGTWCRBSTPM-FXAWDEMLSA-N 2 1 374.550 3.441 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000515346915 503320749 /nfs/dbraw/zinc/32/07/49/503320749.db2.gz FWHZIVZQRJRBQS-BGYRXZFFSA-N 2 1 364.493 3.049 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(Br)c1OC ZINC000491589171 503322324 /nfs/dbraw/zinc/32/23/24/503322324.db2.gz OLAPDWNRJQGNMS-LBPRGKRZSA-N 2 1 359.308 3.144 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000499108877 503336489 /nfs/dbraw/zinc/33/64/89/503336489.db2.gz CRNINFCCNASHLI-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000507660419 503341222 /nfs/dbraw/zinc/34/12/22/503341222.db2.gz ZTCZKMQEWJRBED-UHFFFAOYSA-N 2 1 361.555 3.438 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480696 503347154 /nfs/dbraw/zinc/34/71/54/503347154.db2.gz UFNANGDMONGKON-SJORKVTESA-N 2 1 365.949 3.397 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353051 503366391 /nfs/dbraw/zinc/36/63/91/503366391.db2.gz QOHZRJLMAGXKLK-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353051 503366394 /nfs/dbraw/zinc/36/63/94/503366394.db2.gz QOHZRJLMAGXKLK-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000511713675 503375127 /nfs/dbraw/zinc/37/51/27/503375127.db2.gz KBYVWWAWVLJCIW-KRWDZBQOSA-N 2 1 356.514 3.490 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000511713675 503375131 /nfs/dbraw/zinc/37/51/31/503375131.db2.gz KBYVWWAWVLJCIW-KRWDZBQOSA-N 2 1 356.514 3.490 20 0 FGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000507903257 503391998 /nfs/dbraw/zinc/39/19/98/503391998.db2.gz PWYOUBLPZHQNHA-RTBURBONSA-N 2 1 373.541 3.263 20 0 FGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000507948902 503402554 /nfs/dbraw/zinc/40/25/54/503402554.db2.gz DYDRIHFUHCTMDD-DBXWQHBBSA-N 2 1 357.542 3.300 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441081 503409836 /nfs/dbraw/zinc/40/98/36/503409836.db2.gz GNKADKCINNDFBH-UXHICEINSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000511900516 503410761 /nfs/dbraw/zinc/41/07/61/503410761.db2.gz HIEUMXQNMGLNBW-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H](c1ccccc1F)N1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000515879641 503416219 /nfs/dbraw/zinc/41/62/19/503416219.db2.gz CCXDISOPEOOPNH-IERDGZPVSA-N 2 1 373.516 3.342 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493409879 503425797 /nfs/dbraw/zinc/42/57/97/503425797.db2.gz CPIDDQXQHALFBQ-SFHVURJKSA-N 2 1 358.530 3.273 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987339 503429790 /nfs/dbraw/zinc/42/97/90/503429790.db2.gz DLAQUCHPPDNHJH-LPHOPBHVSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987339 503429792 /nfs/dbraw/zinc/42/97/92/503429792.db2.gz DLAQUCHPPDNHJH-LPHOPBHVSA-N 2 1 358.555 3.205 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814729 503448016 /nfs/dbraw/zinc/44/80/16/503448016.db2.gz WKLWKRNHBPNDKU-KSZLIROESA-N 2 1 364.534 3.128 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000516163555 503460086 /nfs/dbraw/zinc/46/00/86/503460086.db2.gz HFINYXIQPIBQCT-UYAOXDASSA-N 2 1 360.546 3.051 20 0 FGADMP COc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000508375585 503485171 /nfs/dbraw/zinc/48/51/71/503485171.db2.gz GESADYADKYQMTJ-NYUBLWNDSA-N 2 1 373.541 3.210 20 0 FGADMP CC(C)[C@@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515471 503525178 /nfs/dbraw/zinc/52/51/78/503525178.db2.gz SYMCWQICEFYXIE-ZWKOTPCHSA-N 2 1 369.347 3.365 20 0 FGADMP CC(C)[C@@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515471 503525182 /nfs/dbraw/zinc/52/51/82/503525182.db2.gz SYMCWQICEFYXIE-ZWKOTPCHSA-N 2 1 369.347 3.365 20 0 FGADMP C[NH+](C)Cc1cnc(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)s1 ZINC000512354487 503527376 /nfs/dbraw/zinc/52/73/76/503527376.db2.gz DPQMXHXJMOYBGJ-INIZCTEOSA-N 2 1 352.935 3.251 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718621 503550153 /nfs/dbraw/zinc/55/01/53/503550153.db2.gz OAYQZDJIDHIINS-JRGCBEDISA-N 2 1 366.505 3.499 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435493 503550583 /nfs/dbraw/zinc/55/05/83/503550583.db2.gz JDIYFCBDRDINRS-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722319 503551260 /nfs/dbraw/zinc/55/12/60/503551260.db2.gz XFLSUEJANDTLHU-PKOBYXMFSA-N 2 1 364.493 3.242 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504316334 503554899 /nfs/dbraw/zinc/55/48/99/503554899.db2.gz HBDCGFOAPTXOAG-OALUTQOASA-N 2 1 362.562 3.101 20 0 FGADMP Fc1ccccc1CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512457796 503558618 /nfs/dbraw/zinc/55/86/18/503558618.db2.gz VYTKWRNIEXTOON-JOCHJYFZSA-N 2 1 367.512 3.260 20 0 FGADMP Fc1ccccc1CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512457796 503558619 /nfs/dbraw/zinc/55/86/19/503558619.db2.gz VYTKWRNIEXTOON-JOCHJYFZSA-N 2 1 367.512 3.260 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C(C)C ZINC000504427635 503573268 /nfs/dbraw/zinc/57/32/68/503573268.db2.gz SGZYIRRLOFIXKV-LJQANCHMSA-N 2 1 352.567 3.011 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000508895911 503591850 /nfs/dbraw/zinc/59/18/50/503591850.db2.gz MAZKXRWLLDXFJE-JPLJXNOCSA-N 2 1 360.546 3.110 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000516967477 503634031 /nfs/dbraw/zinc/63/40/31/503634031.db2.gz ONXNEAPBLPVPKP-SFTDATJTSA-N 2 1 351.494 3.257 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@H]21 ZINC000516971511 503634693 /nfs/dbraw/zinc/63/46/93/503634693.db2.gz ZQPMDZSUNPKOFS-IKVWTGGYSA-N 2 1 369.534 3.013 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@H]21 ZINC000516971511 503634695 /nfs/dbraw/zinc/63/46/95/503634695.db2.gz ZQPMDZSUNPKOFS-IKVWTGGYSA-N 2 1 369.534 3.013 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969924 503634839 /nfs/dbraw/zinc/63/48/39/503634839.db2.gz MUAGXLIMAKFEOP-TXTKFYIRSA-N 2 1 372.553 3.339 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969924 503634842 /nfs/dbraw/zinc/63/48/42/503634842.db2.gz MUAGXLIMAKFEOP-TXTKFYIRSA-N 2 1 372.553 3.339 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000512821016 503639407 /nfs/dbraw/zinc/63/94/07/503639407.db2.gz ADLZPWXNYXAVMG-UHFFFAOYSA-N 2 1 356.510 3.399 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000532951018 503671318 /nfs/dbraw/zinc/67/13/18/503671318.db2.gz HUTWNNWVTBEDRC-UHFFFAOYSA-N 2 1 370.534 3.042 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000532951018 503671328 /nfs/dbraw/zinc/67/13/28/503671328.db2.gz HUTWNNWVTBEDRC-UHFFFAOYSA-N 2 1 370.534 3.042 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000536706408 503690152 /nfs/dbraw/zinc/69/01/52/503690152.db2.gz PCRGWJYVXPSCNR-IBGZPJMESA-N 2 1 354.498 3.102 20 0 FGADMP CC(C)[C@@H]1CN(C)CCN1C(=O)CCn1c2ccccc2nc1C1CC1 ZINC000536706408 503690159 /nfs/dbraw/zinc/69/01/59/503690159.db2.gz PCRGWJYVXPSCNR-IBGZPJMESA-N 2 1 354.498 3.102 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@@H](C)O1 ZINC000536710322 503692001 /nfs/dbraw/zinc/69/20/01/503692001.db2.gz QOWBLMZKAAUMTL-IAGOWNOFSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543245291 503695943 /nfs/dbraw/zinc/69/59/43/503695943.db2.gz BTPGQAYTADNRRC-DUXKGJEZSA-N 2 1 357.542 3.300 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000536722930 503696117 /nfs/dbraw/zinc/69/61/17/503696117.db2.gz WLASMLCRDYZKFY-FQEVSTJZSA-N 2 1 358.530 3.177 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000543417088 503762117 /nfs/dbraw/zinc/76/21/17/503762117.db2.gz MHCXKAQTEDTOIU-RBBKRZOGSA-N 2 1 359.558 3.222 20 0 FGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000533278602 503789122 /nfs/dbraw/zinc/78/91/22/503789122.db2.gz NJJRPDWBVDJKDP-RTBURBONSA-N 2 1 373.541 3.063 20 0 FGADMP CC[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287211 503792193 /nfs/dbraw/zinc/79/21/93/503792193.db2.gz WVPKABYWGXWRTP-TZIWHRDSSA-N 2 1 373.541 3.213 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000530024179 503798092 /nfs/dbraw/zinc/79/80/92/503798092.db2.gz KVFRDBBOIYTCLD-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000530024179 503798094 /nfs/dbraw/zinc/79/80/94/503798094.db2.gz KVFRDBBOIYTCLD-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000530024179 503798095 /nfs/dbraw/zinc/79/80/95/503798095.db2.gz KVFRDBBOIYTCLD-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530028359 503801760 /nfs/dbraw/zinc/80/17/60/503801760.db2.gz KUFVYXITIGIBJZ-INIZCTEOSA-N 2 1 355.482 3.241 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000517720566 503817691 /nfs/dbraw/zinc/81/76/91/503817691.db2.gz NLXPYXNDBADXAL-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000517720566 503817695 /nfs/dbraw/zinc/81/76/95/503817695.db2.gz NLXPYXNDBADXAL-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000517720566 503817696 /nfs/dbraw/zinc/81/76/96/503817696.db2.gz NLXPYXNDBADXAL-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000517720566 503817700 /nfs/dbraw/zinc/81/77/00/503817700.db2.gz NLXPYXNDBADXAL-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173996 503827133 /nfs/dbraw/zinc/82/71/33/503827133.db2.gz SGRTZWWXKDMPRG-AZUAARDMSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@H]1CCCCN1CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173996 503827137 /nfs/dbraw/zinc/82/71/37/503827137.db2.gz SGRTZWWXKDMPRG-AZUAARDMSA-N 2 1 357.542 3.439 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCCCC2 ZINC000540595632 503827984 /nfs/dbraw/zinc/82/79/84/503827984.db2.gz CZCNOJSJHZTTGH-MOPGFXCFSA-N 2 1 350.547 3.349 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533408337 503834261 /nfs/dbraw/zinc/83/42/61/503834261.db2.gz YXXMVGJKIAXXDQ-UHFFFAOYSA-N 2 1 361.530 3.466 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000543659271 503843854 /nfs/dbraw/zinc/84/38/54/503843854.db2.gz ZKSRRRQYIQXATD-AVRDEDQJSA-N 2 1 365.521 3.247 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887974 503858530 /nfs/dbraw/zinc/85/85/30/503858530.db2.gz MUTYBTUTBOIHLO-OTWHNJEPSA-N 2 1 366.594 3.163 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887974 503858533 /nfs/dbraw/zinc/85/85/33/503858533.db2.gz MUTYBTUTBOIHLO-OTWHNJEPSA-N 2 1 366.594 3.163 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887974 503858536 /nfs/dbraw/zinc/85/85/36/503858536.db2.gz MUTYBTUTBOIHLO-OTWHNJEPSA-N 2 1 366.594 3.163 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000517913427 503865313 /nfs/dbraw/zinc/86/53/13/503865313.db2.gz JSKRDQWWHFAPLG-LJQANCHMSA-N 2 1 354.583 3.116 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238497 503888008 /nfs/dbraw/zinc/88/80/08/503888008.db2.gz OFILIJAYDRXROK-SFHVURJKSA-N 2 1 373.541 3.013 20 0 FGADMP c1csc(-c2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000530241285 503889904 /nfs/dbraw/zinc/88/99/04/503889904.db2.gz POZUDFAZOHDGPY-INIZCTEOSA-N 2 1 363.552 3.462 20 0 FGADMP Oc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000518262703 503938684 /nfs/dbraw/zinc/93/86/84/503938684.db2.gz WAYVITDQQDBYQW-ROUUACIJSA-N 2 1 372.431 3.269 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC3(CCC[NH+]3C)CC2)cc1)C1CC1 ZINC000546973301 503942686 /nfs/dbraw/zinc/94/26/86/503942686.db2.gz LKTPWXXYTKHQKI-UHFFFAOYSA-N 2 1 355.526 3.371 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)cc1)C1CC1 ZINC000546973301 503942691 /nfs/dbraw/zinc/94/26/91/503942691.db2.gz LKTPWXXYTKHQKI-UHFFFAOYSA-N 2 1 355.526 3.371 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)cc1)C1CC1 ZINC000546973301 503942698 /nfs/dbraw/zinc/94/26/98/503942698.db2.gz LKTPWXXYTKHQKI-UHFFFAOYSA-N 2 1 355.526 3.371 20 0 FGADMP C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296867 503946971 /nfs/dbraw/zinc/94/69/71/503946971.db2.gz CNKJQPRGPINILT-UYAOXDASSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527810685 503955383 /nfs/dbraw/zinc/95/53/83/503955383.db2.gz HLSKWDCUBNICTJ-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810685 503955387 /nfs/dbraw/zinc/95/53/87/503955387.db2.gz HLSKWDCUBNICTJ-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000527812240 503956166 /nfs/dbraw/zinc/95/61/66/503956166.db2.gz VVDOVYWGOOFTCH-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000527812240 503956168 /nfs/dbraw/zinc/95/61/68/503956168.db2.gz VVDOVYWGOOFTCH-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000518360769 503962024 /nfs/dbraw/zinc/96/20/24/503962024.db2.gz FWKIAMCHOTUKFC-GHTZIAJQSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000537583068 503963074 /nfs/dbraw/zinc/96/30/74/503963074.db2.gz WMROBYMJBTUWDB-UHFFFAOYSA-N 2 1 368.525 3.133 20 0 FGADMP [NH3+]CCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000518367740 503964064 /nfs/dbraw/zinc/96/40/64/503964064.db2.gz MLVLSHBCNOTCLG-UHFFFAOYSA-N 2 1 351.494 3.049 20 0 FGADMP C[NH+](C)CC[C@@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046388 503986114 /nfs/dbraw/zinc/98/61/14/503986114.db2.gz VDECMTZAMUEDKW-HZPDHXFCSA-N 2 1 373.463 3.058 20 0 FGADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000541155299 504024355 /nfs/dbraw/zinc/02/43/55/504024355.db2.gz BGWNVNKYAXURGG-OKZBNKHCSA-N 2 1 358.530 3.363 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000518612800 504028478 /nfs/dbraw/zinc/02/84/78/504028478.db2.gz KFMBAIJHIZLAMX-UHFFFAOYSA-N 2 1 356.341 3.453 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000534063954 504030457 /nfs/dbraw/zinc/03/04/57/504030457.db2.gz XMQFXLVLQYMZJE-LJQVGOIWSA-N 2 1 370.537 3.343 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C[C@H]1C ZINC000530662415 504043771 /nfs/dbraw/zinc/04/37/71/504043771.db2.gz ZYHKVRVNGGRIFT-WVBUVRCRSA-N 2 1 373.541 3.067 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3ccccc3)o2)CC1 ZINC000541293373 504077285 /nfs/dbraw/zinc/07/72/85/504077285.db2.gz NRWKIBXLNNCDPO-UHFFFAOYSA-N 2 1 362.433 3.346 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541436122 504129028 /nfs/dbraw/zinc/12/90/28/504129028.db2.gz ODWCBUKTZLJQKM-GOSISDBHSA-N 2 1 358.530 3.047 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000538159418 504149656 /nfs/dbraw/zinc/14/96/56/504149656.db2.gz FMIQIPIIPSYXEK-INIZCTEOSA-N 2 1 369.431 3.275 20 0 FGADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@@H](n4c(C)[nH+]c5c4CCCC5)C3)cc12 ZINC000547690922 504188648 /nfs/dbraw/zinc/18/86/48/504188648.db2.gz CBNCIWLJICKKJM-MRXNPFEDSA-N 2 1 350.470 3.097 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@@H](n4c(C)[nH+]c5c4CCCC5)C3)cc12 ZINC000547690922 504188651 /nfs/dbraw/zinc/18/86/51/504188651.db2.gz CBNCIWLJICKKJM-MRXNPFEDSA-N 2 1 350.470 3.097 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccsc1 ZINC000534612990 504192028 /nfs/dbraw/zinc/19/20/28/504192028.db2.gz WCSXXSJYADMOPW-GUDVDZBRSA-N 2 1 372.538 3.095 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2=CC[NH+](C)CC2)cc1 ZINC000538337079 504213159 /nfs/dbraw/zinc/21/31/59/504213159.db2.gz HOSUMZIDDDCQGE-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000538337079 504213164 /nfs/dbraw/zinc/21/31/64/504213164.db2.gz HOSUMZIDDDCQGE-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000538337079 504213167 /nfs/dbraw/zinc/21/31/67/504213167.db2.gz HOSUMZIDDDCQGE-GOSISDBHSA-N 2 1 370.541 3.122 20 0 FGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)oc21 ZINC000538393625 504232841 /nfs/dbraw/zinc/23/28/41/504232841.db2.gz BVIQUDCXXNGEHL-NVXWUHKLSA-N 2 1 373.497 3.070 20 0 FGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)oc21 ZINC000538393625 504232846 /nfs/dbraw/zinc/23/28/46/504232846.db2.gz BVIQUDCXXNGEHL-NVXWUHKLSA-N 2 1 373.497 3.070 20 0 FGADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@@H](C)[C@@H]1OC ZINC000538406202 504238331 /nfs/dbraw/zinc/23/83/31/504238331.db2.gz SPUDMUAFWQZWGT-QRVBRYPASA-N 2 1 352.563 3.451 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780927 504252100 /nfs/dbraw/zinc/25/21/00/504252100.db2.gz ISOCRTWTNOYNTK-KSZLIROESA-N 2 1 366.594 3.115 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000531292715 504254313 /nfs/dbraw/zinc/25/43/13/504254313.db2.gz DIWOOGMLVGKFQF-NHCUHLMSSA-N 2 1 355.526 3.128 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534974455 504298787 /nfs/dbraw/zinc/29/87/87/504298787.db2.gz PKKRFWOKGPWNDH-LJQANCHMSA-N 2 1 363.933 3.250 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000541980127 504321142 /nfs/dbraw/zinc/32/11/42/504321142.db2.gz CCDQVUDYRCDIFQ-MRXNPFEDSA-N 2 1 352.276 3.057 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000519776393 504334725 /nfs/dbraw/zinc/33/47/25/504334725.db2.gz NGVLDGOOVRGVGP-HXUWFJFHSA-N 2 1 369.484 3.026 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cnn(CC)c2)CC1 ZINC000538728581 504345700 /nfs/dbraw/zinc/34/57/00/504345700.db2.gz IEUOBUPXNJSDJX-UHFFFAOYSA-N 2 1 355.530 3.067 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cnn(CC)c2)CC1 ZINC000538728581 504345704 /nfs/dbraw/zinc/34/57/04/504345704.db2.gz IEUOBUPXNJSDJX-UHFFFAOYSA-N 2 1 355.530 3.067 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000538749763 504356854 /nfs/dbraw/zinc/35/68/54/504356854.db2.gz DZPIECCMMWHAKV-SFHVURJKSA-N 2 1 350.551 3.188 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC3(C2)CCOCC3)CC1 ZINC000538763410 504362953 /nfs/dbraw/zinc/36/29/53/504362953.db2.gz BZGCLNBYUJNULD-UHFFFAOYSA-N 2 1 357.542 3.221 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531676882 504389884 /nfs/dbraw/zinc/38/98/84/504389884.db2.gz GXIGJSJRVZAGHB-QFBILLFUSA-N 2 1 359.539 3.396 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000531683354 504392190 /nfs/dbraw/zinc/39/21/90/504392190.db2.gz IEXJHPZHVHBVPH-KBPBESRZSA-N 2 1 369.431 3.496 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204701 504395293 /nfs/dbraw/zinc/39/52/93/504395293.db2.gz DQWCMVONBHMIGE-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204701 504395295 /nfs/dbraw/zinc/39/52/95/504395295.db2.gz DQWCMVONBHMIGE-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204701 504395299 /nfs/dbraw/zinc/39/52/99/504395299.db2.gz DQWCMVONBHMIGE-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709079 504399568 /nfs/dbraw/zinc/39/95/68/504399568.db2.gz DYDIOEPCKZQGPK-ROUUACIJSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000531769469 504419608 /nfs/dbraw/zinc/41/96/08/504419608.db2.gz ZLEUPEIOLBLYPO-MSOLQXFVSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056525 504459705 /nfs/dbraw/zinc/45/97/05/504459705.db2.gz NZWAXVINKLZNRB-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056525 504459712 /nfs/dbraw/zinc/45/97/12/504459712.db2.gz NZWAXVINKLZNRB-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000539093799 504470417 /nfs/dbraw/zinc/47/04/17/504470417.db2.gz QLAXWYKGIGRUJY-KRWDZBQOSA-N 2 1 364.530 3.491 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539162383 504491060 /nfs/dbraw/zinc/49/10/60/504491060.db2.gz ZLCZBZDAJSTPFZ-HXUWFJFHSA-N 2 1 374.529 3.238 20 0 FGADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000539199499 504495916 /nfs/dbraw/zinc/49/59/16/504495916.db2.gz GQUYGKGZSWOFBT-XLIONFOSSA-N 2 1 361.505 3.234 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000539199499 504495917 /nfs/dbraw/zinc/49/59/17/504495917.db2.gz GQUYGKGZSWOFBT-XLIONFOSSA-N 2 1 361.505 3.234 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681156 504506202 /nfs/dbraw/zinc/50/62/02/504506202.db2.gz OTOQVJMEMTVKIQ-HXUWFJFHSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000535818660 504554295 /nfs/dbraw/zinc/55/42/95/504554295.db2.gz GBWBKUIKBWDCJJ-BGYRXZFFSA-N 2 1 359.558 3.464 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000535818660 504554297 /nfs/dbraw/zinc/55/42/97/504554297.db2.gz GBWBKUIKBWDCJJ-BGYRXZFFSA-N 2 1 359.558 3.464 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854017 504597962 /nfs/dbraw/zinc/59/79/62/504597962.db2.gz TYDJUYDFHPIALB-FCHUYYIVSA-N 2 1 365.521 3.379 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000520908841 504607839 /nfs/dbraw/zinc/60/78/39/504607839.db2.gz FAXNRZKVBRBGTH-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000520908841 504607843 /nfs/dbraw/zinc/60/78/43/504607843.db2.gz FAXNRZKVBRBGTH-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000520908841 504607849 /nfs/dbraw/zinc/60/78/49/504607849.db2.gz FAXNRZKVBRBGTH-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[C@H](c1ccccc1Cl)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919735 504620674 /nfs/dbraw/zinc/62/06/74/504620674.db2.gz TZMRWDWTQRNQJG-LJQANCHMSA-N 2 1 351.922 3.133 20 0 FGADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000548919735 504620677 /nfs/dbraw/zinc/62/06/77/504620677.db2.gz TZMRWDWTQRNQJG-LJQANCHMSA-N 2 1 351.922 3.133 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000521139642 504659117 /nfs/dbraw/zinc/65/91/17/504659117.db2.gz HZTXNLUZSXPVQV-JTJHWIPRSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000521139642 504659122 /nfs/dbraw/zinc/65/91/22/504659122.db2.gz HZTXNLUZSXPVQV-JTJHWIPRSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000521139642 504659127 /nfs/dbraw/zinc/65/91/27/504659127.db2.gz HZTXNLUZSXPVQV-JTJHWIPRSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(CC[NH+](C)C2)C1 ZINC000529419596 504667160 /nfs/dbraw/zinc/66/71/60/504667160.db2.gz QFSGSDHHPFQVDW-XPNTWCBSSA-N 2 1 369.553 3.089 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000529419596 504667167 /nfs/dbraw/zinc/66/71/67/504667167.db2.gz QFSGSDHHPFQVDW-XPNTWCBSSA-N 2 1 369.553 3.089 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000529419596 504667173 /nfs/dbraw/zinc/66/71/73/504667173.db2.gz QFSGSDHHPFQVDW-XPNTWCBSSA-N 2 1 369.553 3.089 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000529458656 504683609 /nfs/dbraw/zinc/68/36/09/504683609.db2.gz PLKMVXOVUYEUMN-SPVGOVNVSA-N 2 1 369.553 3.276 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000529458656 504683612 /nfs/dbraw/zinc/68/36/12/504683612.db2.gz PLKMVXOVUYEUMN-SPVGOVNVSA-N 2 1 369.553 3.276 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000529458656 504683617 /nfs/dbraw/zinc/68/36/17/504683617.db2.gz PLKMVXOVUYEUMN-SPVGOVNVSA-N 2 1 369.553 3.276 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@H]1C ZINC000539816981 504698913 /nfs/dbraw/zinc/69/89/13/504698913.db2.gz IBOQZNROIUMYQS-UKRRQHHQSA-N 2 1 365.319 3.401 20 0 FGADMP Cc1nn2c(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000539851896 504718778 /nfs/dbraw/zinc/71/87/78/504718778.db2.gz HTULQKDUKKKMLI-UHFFFAOYSA-N 2 1 361.559 3.496 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000521589366 504761281 /nfs/dbraw/zinc/76/12/81/504761281.db2.gz YUVXGPCPCCZGIB-OALUTQOASA-N 2 1 357.542 3.007 20 0 FGADMP Cc1cc(O)c(C(C)C)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000552862133 504777463 /nfs/dbraw/zinc/77/74/63/504777463.db2.gz BGXNPCZPHRPCRP-UHFFFAOYSA-N 2 1 368.481 3.223 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000552973220 504795816 /nfs/dbraw/zinc/79/58/16/504795816.db2.gz MXXSBHWCSQUZIK-GOSISDBHSA-N 2 1 352.482 3.379 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234071 504824884 /nfs/dbraw/zinc/82/48/84/504824884.db2.gz ULBDCTFLYCSEFW-YJBOKZPZSA-N 2 1 373.463 3.370 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549584817 504854066 /nfs/dbraw/zinc/85/40/66/504854066.db2.gz SEAFLJWRTKWLLA-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP CCCc1cnc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000553223234 504856078 /nfs/dbraw/zinc/85/60/78/504856078.db2.gz XRNIJPVRZLULER-UHFFFAOYSA-N 2 1 364.559 3.230 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000549646679 504867032 /nfs/dbraw/zinc/86/70/32/504867032.db2.gz IKVYHMFMLKXURH-UYAOXDASSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000553326423 504884330 /nfs/dbraw/zinc/88/43/30/504884330.db2.gz DHGNYUBCWPDWTC-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000553326423 504884333 /nfs/dbraw/zinc/88/43/33/504884333.db2.gz DHGNYUBCWPDWTC-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000553326423 504884336 /nfs/dbraw/zinc/88/43/36/504884336.db2.gz DHGNYUBCWPDWTC-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CC(C)C1 ZINC000553326609 504884600 /nfs/dbraw/zinc/88/46/00/504884600.db2.gz NPFPKYVUFDHSDT-ZIFCJYIRSA-N 2 1 357.542 3.121 20 0 FGADMP Cc1ccccc1[C@@H](OC[C@H](O)C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000565594565 504932739 /nfs/dbraw/zinc/93/27/39/504932739.db2.gz XNKPAJLREAWCAN-GGAORHGYSA-N 2 1 368.521 3.146 20 0 FGADMP Cc1ncc2n1C[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513798 504937206 /nfs/dbraw/zinc/93/72/06/504937206.db2.gz OIJGXCMVNRZBRE-PXNSSMCTSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513798 504937209 /nfs/dbraw/zinc/93/72/09/504937209.db2.gz OIJGXCMVNRZBRE-PXNSSMCTSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)CC2 ZINC000553513798 504937215 /nfs/dbraw/zinc/93/72/15/504937215.db2.gz OIJGXCMVNRZBRE-PXNSSMCTSA-N 2 1 372.557 3.257 20 0 FGADMP CCn1cccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c1=O ZINC000559900347 504947735 /nfs/dbraw/zinc/94/77/35/504947735.db2.gz BACMAHLHQSTYGQ-UHFFFAOYSA-N 2 1 353.510 3.401 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000562838603 504961520 /nfs/dbraw/zinc/96/15/20/504961520.db2.gz JNWYBBASZZKGDN-RTBURBONSA-N 2 1 359.445 3.199 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000550097521 504966301 /nfs/dbraw/zinc/96/63/01/504966301.db2.gz RMVUJIOZMXLRAM-XZOQPEGZSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000550097521 504966302 /nfs/dbraw/zinc/96/63/02/504966302.db2.gz RMVUJIOZMXLRAM-XZOQPEGZSA-N 2 1 368.496 3.327 20 0 FGADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000550097521 504966306 /nfs/dbraw/zinc/96/63/06/504966306.db2.gz RMVUJIOZMXLRAM-XZOQPEGZSA-N 2 1 368.496 3.327 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000562867022 504970100 /nfs/dbraw/zinc/97/01/00/504970100.db2.gz QGXFPOCGTDKNRH-JRGCBEDISA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000562867022 504970102 /nfs/dbraw/zinc/97/01/02/504970102.db2.gz QGXFPOCGTDKNRH-JRGCBEDISA-N 2 1 373.516 3.265 20 0 FGADMP CC(C)Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000556871125 505001328 /nfs/dbraw/zinc/00/13/28/505001328.db2.gz SVJCDBPMIAAXFR-GOSISDBHSA-N 2 1 359.558 3.478 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ncc[nH]1 ZINC000556886896 505006876 /nfs/dbraw/zinc/00/68/76/505006876.db2.gz PUONXEXFERFYTF-KSZLIROESA-N 2 1 356.514 3.270 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1n1cccn1 ZINC000550326313 505022983 /nfs/dbraw/zinc/02/29/83/505022983.db2.gz YSMXJOOHKIGCPW-MIUGBVLSSA-N 2 1 368.525 3.244 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@H]1n1cccn1 ZINC000550326313 505022986 /nfs/dbraw/zinc/02/29/86/505022986.db2.gz YSMXJOOHKIGCPW-MIUGBVLSSA-N 2 1 368.525 3.244 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc3c2C[N@H+](C)C3)CC1 ZINC000560259968 505032159 /nfs/dbraw/zinc/03/21/59/505032159.db2.gz OVTPDRSBZNBSAC-UHFFFAOYSA-N 2 1 350.466 3.191 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)Nc2cccc3c2C[N@@H+](C)C3)CC1 ZINC000560259968 505032162 /nfs/dbraw/zinc/03/21/62/505032162.db2.gz OVTPDRSBZNBSAC-UHFFFAOYSA-N 2 1 350.466 3.191 20 0 FGADMP C[C@@H]1[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000557028828 505047614 /nfs/dbraw/zinc/04/76/14/505047614.db2.gz SHKZXJUPSNZRTK-OXQOHEQNSA-N 2 1 364.493 3.117 20 0 FGADMP FC(F)(F)CN1CC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120111 505052381 /nfs/dbraw/zinc/05/23/81/505052381.db2.gz RVGBHRWABMLBSN-QZTJIDSGSA-N 2 1 367.459 3.410 20 0 FGADMP FC(F)(F)CN1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120111 505052385 /nfs/dbraw/zinc/05/23/85/505052385.db2.gz RVGBHRWABMLBSN-QZTJIDSGSA-N 2 1 367.459 3.410 20 0 FGADMP C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC000566026532 505058654 /nfs/dbraw/zinc/05/86/54/505058654.db2.gz UOBMRGXDXAPUDN-MRXNPFEDSA-N 2 1 371.550 3.029 20 0 FGADMP C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000566026532 505058656 /nfs/dbraw/zinc/05/86/56/505058656.db2.gz UOBMRGXDXAPUDN-MRXNPFEDSA-N 2 1 371.550 3.029 20 0 FGADMP O=C1CCCN1[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000563203171 505074626 /nfs/dbraw/zinc/07/46/26/505074626.db2.gz FIOSJSZLPYPGGQ-OAQYLSRUSA-N 2 1 355.526 3.259 20 0 FGADMP C[C@@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000566100929 505080802 /nfs/dbraw/zinc/08/08/02/505080802.db2.gz UVELWPKPMWGXRO-XMSQKQJNSA-N 2 1 365.521 3.437 20 0 FGADMP c1ccc(-c2n[nH]c([C@H]3CCC[N@H+](Cc4ccc5c(c4)C[NH2+]CC5)C3)n2)cc1 ZINC000563271562 505092453 /nfs/dbraw/zinc/09/24/53/505092453.db2.gz XGKKXJWZOGOYGB-FQEVSTJZSA-N 2 1 373.504 3.497 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000560544425 505120639 /nfs/dbraw/zinc/12/06/39/505120639.db2.gz QRHPUPZTDHOHCM-BVBHFADKSA-N 2 1 370.459 3.319 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265377 505188470 /nfs/dbraw/zinc/18/84/70/505188470.db2.gz UZLQTEWMQABNCL-NHCUHLMSSA-N 2 1 358.526 3.074 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000563618015 505193982 /nfs/dbraw/zinc/19/39/82/505193982.db2.gz VJBZRVLVJFNFRZ-DOMZBBRYSA-N 2 1 372.296 3.164 20 0 FGADMP CC(C)CN(C(=O)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000563658159 505203678 /nfs/dbraw/zinc/20/36/78/505203678.db2.gz UQMDPASJKRYTKP-RTWAWAEBSA-N 2 1 369.553 3.087 20 0 FGADMP CC(C)Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000554550050 505204668 /nfs/dbraw/zinc/20/46/68/505204668.db2.gz ATFMPNFADVHJFT-FPOVZHCZSA-N 2 1 374.573 3.129 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562195 505206811 /nfs/dbraw/zinc/20/68/11/505206811.db2.gz OEIIRMUZMHIJJE-QZTJIDSGSA-N 2 1 373.541 3.133 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562195 505206813 /nfs/dbraw/zinc/20/68/13/505206813.db2.gz OEIIRMUZMHIJJE-QZTJIDSGSA-N 2 1 373.541 3.133 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000563673518 505207005 /nfs/dbraw/zinc/20/70/05/505207005.db2.gz QZJGDOKKMJLKIR-FPOVZHCZSA-N 2 1 357.542 3.402 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632033 505227289 /nfs/dbraw/zinc/22/72/89/505227289.db2.gz JREABFSNKGLCTK-QKLQHJQFSA-N 2 1 369.509 3.272 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632033 505227293 /nfs/dbraw/zinc/22/72/93/505227293.db2.gz JREABFSNKGLCTK-QKLQHJQFSA-N 2 1 369.509 3.272 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000563804459 505243802 /nfs/dbraw/zinc/24/38/02/505243802.db2.gz MVUPRYVXXQKFQY-NVPAJSRCSA-N 2 1 370.463 3.305 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881275 505265420 /nfs/dbraw/zinc/26/54/20/505265420.db2.gz FDPWHKLUVVXKDJ-KXBFYZLASA-N 2 1 358.511 3.144 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881275 505265423 /nfs/dbraw/zinc/26/54/23/505265423.db2.gz FDPWHKLUVVXKDJ-KXBFYZLASA-N 2 1 358.511 3.144 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022176 505288097 /nfs/dbraw/zinc/28/80/97/505288097.db2.gz HWVJMFVFITYAQO-IPJJNNNSSA-N 2 1 369.553 3.087 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@H](C)C1 ZINC000554924698 505300781 /nfs/dbraw/zinc/30/07/81/505300781.db2.gz FGCAXXHYRAAHRR-KRWDZBQOSA-N 2 1 355.530 3.486 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000566890583 505301885 /nfs/dbraw/zinc/30/18/85/505301885.db2.gz IYAPREJWYIJZKG-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000554976141 505317223 /nfs/dbraw/zinc/31/72/23/505317223.db2.gz QIZLVGUHTLBMHI-UHFFFAOYSA-N 2 1 373.372 3.175 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccn2ccnc2c1 ZINC000554985938 505320674 /nfs/dbraw/zinc/32/06/74/505320674.db2.gz AQQOVKJIXQWKQW-UHFFFAOYSA-N 2 1 351.454 3.366 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000564150379 505338080 /nfs/dbraw/zinc/33/80/80/505338080.db2.gz BCEDRLVCUPBZQZ-HNNXBMFYSA-N 2 1 356.352 3.325 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000551908429 505339420 /nfs/dbraw/zinc/33/94/20/505339420.db2.gz QTFLQYQFLCJECR-ZWKOTPCHSA-N 2 1 357.542 3.405 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000561422484 505340904 /nfs/dbraw/zinc/34/09/04/505340904.db2.gz KHLOXAMMQMGARZ-UHFFFAOYSA-N 2 1 364.534 3.052 20 0 FGADMP C[C@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147509 505377017 /nfs/dbraw/zinc/37/70/17/505377017.db2.gz PHOHSQCRIHRYOO-AVRDEDQJSA-N 2 1 350.506 3.017 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCCNc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000558404912 505379055 /nfs/dbraw/zinc/37/90/55/505379055.db2.gz PGZGCYKKOSCSPY-VXKWHMMOSA-N 2 1 351.494 3.160 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCCNc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000558404912 505379059 /nfs/dbraw/zinc/37/90/59/505379059.db2.gz PGZGCYKKOSCSPY-VXKWHMMOSA-N 2 1 351.494 3.160 20 0 FGADMP COc1ccc2cc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)ccc2c1 ZINC000564319771 505383161 /nfs/dbraw/zinc/38/31/61/505383161.db2.gz YTNPSEZNDBMEAQ-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552056633 505383831 /nfs/dbraw/zinc/38/38/31/505383831.db2.gz MHSPAPPUPFODCL-AVSSGJIKSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000567176108 505385776 /nfs/dbraw/zinc/38/57/76/505385776.db2.gz IJMWOUVKIHILFY-QGWWYQLQSA-N 2 1 363.933 3.022 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000552063311 505387142 /nfs/dbraw/zinc/38/71/42/505387142.db2.gz VXKOQCNBYYBOAC-XIVBQZFQSA-N 2 1 370.459 3.319 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000552071564 505390836 /nfs/dbraw/zinc/39/08/36/505390836.db2.gz OROLSEWBDYTXOB-UKRRQHHQSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000552071564 505390838 /nfs/dbraw/zinc/39/08/38/505390838.db2.gz OROLSEWBDYTXOB-UKRRQHHQSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000552071564 505390840 /nfs/dbraw/zinc/39/08/40/505390840.db2.gz OROLSEWBDYTXOB-UKRRQHHQSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000552071564 505390843 /nfs/dbraw/zinc/39/08/43/505390843.db2.gz OROLSEWBDYTXOB-UKRRQHHQSA-N 2 1 360.454 3.143 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1)CC1CC1 ZINC000555249326 505391214 /nfs/dbraw/zinc/39/12/14/505391214.db2.gz XHOIRZGJOJFUGV-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP C[C@@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199941 505392635 /nfs/dbraw/zinc/39/26/35/505392635.db2.gz IXYNIRXFCYDXOT-NQIIRXRSSA-N 2 1 368.481 3.258 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)c2ccccc21 ZINC000567260300 505411494 /nfs/dbraw/zinc/41/14/94/505411494.db2.gz FZAYLTBTCCNPIO-NJDAHSKKSA-N 2 1 371.912 3.448 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)CCCC2)CC1 ZINC000567451708 505467483 /nfs/dbraw/zinc/46/74/83/505467483.db2.gz IIAHHNHNMYQUMP-RTBURBONSA-N 2 1 374.573 3.460 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C)n2-c2ccccc2)C1 ZINC000552344055 505467599 /nfs/dbraw/zinc/46/75/99/505467599.db2.gz VRFQGOZCQULICH-NRFANRHFSA-N 2 1 356.514 3.113 20 0 FGADMP Fc1ccc(-c2cnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)cc1 ZINC000558718639 505472432 /nfs/dbraw/zinc/47/24/32/505472432.db2.gz FZPPFJOCCBBCLX-UHFFFAOYSA-N 2 1 373.472 3.415 20 0 FGADMP Cn1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555611850 505475116 /nfs/dbraw/zinc/47/51/16/505475116.db2.gz DTJDUEVUSPYKCT-NRFANRHFSA-N 2 1 353.510 3.044 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1OC(F)F ZINC000561974718 505482012 /nfs/dbraw/zinc/48/20/12/505482012.db2.gz DFGKNHJYEXLOEQ-INIZCTEOSA-N 2 1 354.441 3.460 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c2ccccc2c1 ZINC000555683360 505491026 /nfs/dbraw/zinc/49/10/26/505491026.db2.gz BIWRDGXGAPMVKA-IBGZPJMESA-N 2 1 371.500 3.467 20 0 FGADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000555712742 505497328 /nfs/dbraw/zinc/49/73/28/505497328.db2.gz WTFWFRHWIZGBRV-RTWAWAEBSA-N 2 1 369.553 3.409 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564793058 505521945 /nfs/dbraw/zinc/52/19/45/505521945.db2.gz GEIRESNIVJEHBA-FXAWDEMLSA-N 2 1 360.542 3.106 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564822920 505529392 /nfs/dbraw/zinc/52/93/92/505529392.db2.gz QBYCJWRXBCOUGN-CVEARBPZSA-N 2 1 350.528 3.053 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552686556 505535440 /nfs/dbraw/zinc/53/54/40/505535440.db2.gz BIMFEQHSQFHYAF-HKUYNNGSSA-N 2 1 369.912 3.463 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552686556 505535443 /nfs/dbraw/zinc/53/54/43/505535443.db2.gz BIMFEQHSQFHYAF-HKUYNNGSSA-N 2 1 369.912 3.463 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000562241063 505549335 /nfs/dbraw/zinc/54/93/35/505549335.db2.gz CZAZMNLXPKUFPG-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000562241063 505549340 /nfs/dbraw/zinc/54/93/40/505549340.db2.gz CZAZMNLXPKUFPG-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000562241063 505549344 /nfs/dbraw/zinc/54/93/44/505549344.db2.gz CZAZMNLXPKUFPG-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813919 505565320 /nfs/dbraw/zinc/56/53/20/505565320.db2.gz UBBLCZIZDSFZOE-DYXWJJEUSA-N 2 1 373.516 3.028 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813919 505565322 /nfs/dbraw/zinc/56/53/22/505565322.db2.gz UBBLCZIZDSFZOE-DYXWJJEUSA-N 2 1 373.516 3.028 20 0 FGADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2)cc1 ZINC000564988297 505565848 /nfs/dbraw/zinc/56/58/48/505565848.db2.gz ABTPJGIAFYDUAL-QUCCMNQESA-N 2 1 370.497 3.188 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000567846698 505567723 /nfs/dbraw/zinc/56/77/23/505567723.db2.gz MYRHEVVGTHGTBP-FGZHOGPDSA-N 2 1 365.521 3.323 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@]12CCCO2 ZINC000567851679 505568417 /nfs/dbraw/zinc/56/84/17/505568417.db2.gz WUCDLWOPVDJRMS-ADYITMSISA-N 2 1 370.537 3.500 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@]12CCCO2 ZINC000567851679 505568419 /nfs/dbraw/zinc/56/84/19/505568419.db2.gz WUCDLWOPVDJRMS-ADYITMSISA-N 2 1 370.537 3.500 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000582753556 506399237 /nfs/dbraw/zinc/39/92/37/506399237.db2.gz IRIHMESBOVJRQO-RBBKRZOGSA-N 2 1 372.484 3.163 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000582753556 506399246 /nfs/dbraw/zinc/39/92/46/506399246.db2.gz IRIHMESBOVJRQO-RBBKRZOGSA-N 2 1 372.484 3.163 20 0 FGADMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000608058017 506400675 /nfs/dbraw/zinc/40/06/75/506400675.db2.gz HGQLOLBVAAXDLA-FQEVSTJZSA-N 2 1 360.885 3.075 20 0 FGADMP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000608058017 506400679 /nfs/dbraw/zinc/40/06/79/506400679.db2.gz HGQLOLBVAAXDLA-FQEVSTJZSA-N 2 1 360.885 3.075 20 0 FGADMP C[C@@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000582774530 506413550 /nfs/dbraw/zinc/41/35/50/506413550.db2.gz OZVCTWYBVUYQJA-DBXWQHBBSA-N 2 1 372.557 3.106 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000589203977 506482725 /nfs/dbraw/zinc/48/27/25/506482725.db2.gz KLOFKQHCEYVTKM-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000596649326 506509508 /nfs/dbraw/zinc/50/95/08/506509508.db2.gz IGQOCOBBNUPSPR-NQMYEVRTSA-N 2 1 374.525 3.098 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H]4CCC[C@H]4C3)CC2)CC1 ZINC000583033580 506552282 /nfs/dbraw/zinc/55/22/82/506552282.db2.gz HUCITQTVQICCAN-YSIASYRMSA-N 2 1 361.574 3.268 20 0 FGADMP C(CC[N@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000583060959 506566593 /nfs/dbraw/zinc/56/65/93/506566593.db2.gz GKMXZQJBLLLROP-FGZHOGPDSA-N 2 1 364.574 3.264 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608650976 506648751 /nfs/dbraw/zinc/64/87/51/506648751.db2.gz VQGCYZVBDSVRCQ-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC1CC[NH+]([C@@H](C)c3ccccc3)CC1)CC2 ZINC000583208352 506650675 /nfs/dbraw/zinc/65/06/75/506650675.db2.gz YREQIFCYQKMENY-QFBILLFUSA-N 2 1 366.509 3.096 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000589993004 506698659 /nfs/dbraw/zinc/69/86/59/506698659.db2.gz PMQNYZDETYDCTR-NRFANRHFSA-N 2 1 353.510 3.318 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000589993004 506698666 /nfs/dbraw/zinc/69/86/66/506698666.db2.gz PMQNYZDETYDCTR-NRFANRHFSA-N 2 1 353.510 3.318 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000589993004 506698671 /nfs/dbraw/zinc/69/86/71/506698671.db2.gz PMQNYZDETYDCTR-NRFANRHFSA-N 2 1 353.510 3.318 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080015 506707244 /nfs/dbraw/zinc/70/72/44/506707244.db2.gz HBZMANYOVPJQLS-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604080015 506707253 /nfs/dbraw/zinc/70/72/53/506707253.db2.gz HBZMANYOVPJQLS-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604080015 506707261 /nfs/dbraw/zinc/70/72/61/506707261.db2.gz HBZMANYOVPJQLS-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000604173076 506736304 /nfs/dbraw/zinc/73/63/04/506736304.db2.gz HDTLDXDZDUIEDW-NJDAHSKKSA-N 2 1 370.541 3.140 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384531 506749600 /nfs/dbraw/zinc/74/96/00/506749600.db2.gz WPRYTYJRJHSXCJ-AWEZNQCLSA-N 2 1 350.450 3.389 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384531 506749601 /nfs/dbraw/zinc/74/96/01/506749601.db2.gz WPRYTYJRJHSXCJ-AWEZNQCLSA-N 2 1 350.450 3.389 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384531 506749603 /nfs/dbraw/zinc/74/96/03/506749603.db2.gz WPRYTYJRJHSXCJ-AWEZNQCLSA-N 2 1 350.450 3.389 20 0 FGADMP CC(C[NH+]1CCCC2(CCOCC2)C1)C[N@H+]1CCCC2(CCOCC2)C1 ZINC000583413903 506764859 /nfs/dbraw/zinc/76/48/59/506764859.db2.gz DKCWFBFARGDDKU-UHFFFAOYSA-N 2 1 364.574 3.408 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000583457717 506787874 /nfs/dbraw/zinc/78/78/74/506787874.db2.gz VGSDRGBSYAVGGP-NRFANRHFSA-N 2 1 369.553 3.199 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)C[C@@H]3C)c2c1C ZINC000597182927 506819932 /nfs/dbraw/zinc/81/99/32/506819932.db2.gz WWOHPJWTLCRWRW-ZDUSSCGKSA-N 2 1 359.543 3.044 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)C[C@@H]3C)c2c1C ZINC000597182927 506819940 /nfs/dbraw/zinc/81/99/40/506819940.db2.gz WWOHPJWTLCRWRW-ZDUSSCGKSA-N 2 1 359.543 3.044 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963355 506841606 /nfs/dbraw/zinc/84/16/06/506841606.db2.gz MWPIAEHQDUUWCT-FXAWDEMLSA-N 2 1 370.541 3.002 20 0 FGADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017273 506865753 /nfs/dbraw/zinc/86/57/53/506865753.db2.gz IMJSXJSBVZHKOT-VXKWHMMOSA-N 2 1 363.505 3.169 20 0 FGADMP C[N@@H+]1Cc2ccccc2[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017273 506865759 /nfs/dbraw/zinc/86/57/59/506865759.db2.gz IMJSXJSBVZHKOT-VXKWHMMOSA-N 2 1 363.505 3.169 20 0 FGADMP C[NH+]1CCC2(CCCN2C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000613190737 506960253 /nfs/dbraw/zinc/96/02/53/506960253.db2.gz JIZYVHLRRIDWFC-NRFANRHFSA-N 2 1 369.553 3.028 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000594133710 506965870 /nfs/dbraw/zinc/96/58/70/506965870.db2.gz TXMMZFCVPKFORZ-ZVDOUQERSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)C[C@H](C)C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000583779776 506967248 /nfs/dbraw/zinc/96/72/48/506967248.db2.gz JSFALEIUUXWONN-SFHVURJKSA-N 2 1 361.530 3.119 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000590819031 506980004 /nfs/dbraw/zinc/98/00/04/506980004.db2.gz UUZVCZBAJHVKEO-IBGZPJMESA-N 2 1 368.949 3.270 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC[S@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000609798818 507005895 /nfs/dbraw/zinc/00/58/95/507005895.db2.gz PWAJPWUXAZNRKP-QFIPXVFZSA-N 2 1 363.354 3.375 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128289 507125888 /nfs/dbraw/zinc/12/58/88/507125888.db2.gz SDTCUMVTVLDZFZ-NQIIRXRSSA-N 2 1 357.542 3.060 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000600859240 507151027 /nfs/dbraw/zinc/15/10/27/507151027.db2.gz CPIUJQFKSIAPFH-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000600859240 507151033 /nfs/dbraw/zinc/15/10/33/507151033.db2.gz CPIUJQFKSIAPFH-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605559555 507242167 /nfs/dbraw/zinc/24/21/67/507242167.db2.gz KPLBCFIBXULDJK-IBGZPJMESA-N 2 1 359.514 3.283 20 0 FGADMP CCCn1c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)nc2ccccc21 ZINC000584279382 507255341 /nfs/dbraw/zinc/25/53/41/507255341.db2.gz AIYQFKQYGRGEAL-UWJYYQICSA-N 2 1 356.514 3.165 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555150 507288927 /nfs/dbraw/zinc/28/89/27/507288927.db2.gz RXKOEZVGSRQKLQ-ZWKOTPCHSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)[N@H+](C)C1CC1 ZINC000591555150 507288941 /nfs/dbraw/zinc/28/89/41/507288941.db2.gz RXKOEZVGSRQKLQ-ZWKOTPCHSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)[N@@H+](C)C1CC1 ZINC000591555150 507288947 /nfs/dbraw/zinc/28/89/47/507288947.db2.gz RXKOEZVGSRQKLQ-ZWKOTPCHSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000605877239 507289758 /nfs/dbraw/zinc/28/97/58/507289758.db2.gz AZJDLYYQJJBDRS-AZUAARDMSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000605877239 507289766 /nfs/dbraw/zinc/28/97/66/507289766.db2.gz AZJDLYYQJJBDRS-AZUAARDMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000598175401 507296132 /nfs/dbraw/zinc/29/61/32/507296132.db2.gz GEIRWNHWLVLMRB-MSOLQXFVSA-N 2 1 360.546 3.145 20 0 FGADMP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000591656132 507324503 /nfs/dbraw/zinc/32/45/03/507324503.db2.gz KTELFVMBLCATCA-ZOBFTUDESA-N 2 1 356.510 3.218 20 0 FGADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000595013392 507354086 /nfs/dbraw/zinc/35/40/86/507354086.db2.gz QIINKOYKANCXJJ-OAHLLOKOSA-N 2 1 362.518 3.020 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)cc1 ZINC000606627602 507459235 /nfs/dbraw/zinc/45/92/35/507459235.db2.gz SCKYDKOKOXOPCH-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606684339 507478519 /nfs/dbraw/zinc/47/85/19/507478519.db2.gz QVFXTFCSUJAHFQ-UXHICEINSA-N 2 1 364.578 3.301 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000595407437 507483117 /nfs/dbraw/zinc/48/31/17/507483117.db2.gz RUAAOFUDKBCUSZ-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000595407437 507483126 /nfs/dbraw/zinc/48/31/26/507483126.db2.gz RUAAOFUDKBCUSZ-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000595407437 507483134 /nfs/dbraw/zinc/48/31/34/507483134.db2.gz RUAAOFUDKBCUSZ-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000606701665 507488210 /nfs/dbraw/zinc/48/82/10/507488210.db2.gz HRUPDTWROGBTFU-GOSISDBHSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000592377052 507626793 /nfs/dbraw/zinc/62/67/93/507626793.db2.gz RKMASBFOVXWGDQ-RBUKOAKNSA-N 2 1 373.541 3.106 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433645 507655495 /nfs/dbraw/zinc/65/54/95/507655495.db2.gz MZGAJXBIWFOHDG-CVEARBPZSA-N 2 1 350.890 3.338 20 0 FGADMP COC(=O)CC[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc(F)c(F)c1 ZINC000592493342 507678722 /nfs/dbraw/zinc/67/87/22/507678722.db2.gz NLCJZBKJAYXXJG-UHFFFAOYSA-N 2 1 354.441 3.110 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000595825834 507702454 /nfs/dbraw/zinc/70/24/54/507702454.db2.gz JSCICDKNUQZGRR-WOJBJXKFSA-N 2 1 364.578 3.301 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000614963481 507707306 /nfs/dbraw/zinc/70/73/06/507707306.db2.gz HHPKEVKOVNDRKP-UHFFFAOYSA-N 2 1 357.542 3.476 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520481 507756371 /nfs/dbraw/zinc/75/63/71/507756371.db2.gz ORXDGHRQZMEJKR-LAUBAEHRSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520481 507756378 /nfs/dbraw/zinc/75/63/78/507756378.db2.gz ORXDGHRQZMEJKR-LAUBAEHRSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1)C1CC1 ZINC000607520481 507756385 /nfs/dbraw/zinc/75/63/85/507756385.db2.gz ORXDGHRQZMEJKR-LAUBAEHRSA-N 2 1 357.542 3.473 20 0 FGADMP COCCCCNc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000629733476 522423783 /nfs/dbraw/zinc/42/37/83/522423783.db2.gz UPYPDKPGYLQVLH-UHFFFAOYSA-N 2 1 355.482 3.419 20 0 FGADMP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000636730097 567985371 /nfs/dbraw/zinc/98/53/71/567985371.db2.gz DZWXJTJFSVZQJJ-IBGZPJMESA-N 2 1 364.578 3.157 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[C@H]1[NH3+] ZINC000669121472 568069637 /nfs/dbraw/zinc/06/96/37/568069637.db2.gz BHDXGRVJJJGCQH-IOMROCGXSA-N 2 1 372.557 3.187 20 0 FGADMP COc1ccc(-n2ccn(C[N@H+](C)CC3CC[NH+](C)CC3)c2=S)cc1 ZINC000103462112 700485764 /nfs/dbraw/zinc/48/57/64/700485764.db2.gz QJGYRBXCDVPICT-UHFFFAOYSA-N 2 1 360.527 3.248 20 0 FGADMP COc1ccc(-n2ccn(C[N@@H+](C)CC3CC[NH+](C)CC3)c2=S)cc1 ZINC000103462112 700485767 /nfs/dbraw/zinc/48/57/67/700485767.db2.gz QJGYRBXCDVPICT-UHFFFAOYSA-N 2 1 360.527 3.248 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000130287357 700799207 /nfs/dbraw/zinc/79/92/07/700799207.db2.gz CITFRNIWVJJGKU-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000130287357 700799208 /nfs/dbraw/zinc/79/92/08/700799208.db2.gz CITFRNIWVJJGKU-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000156315291 705110841 /nfs/dbraw/zinc/11/08/41/705110841.db2.gz ADUZYUKGRXMJMN-IAGOWNOFSA-N 2 1 350.507 3.255 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180626424 705750521 /nfs/dbraw/zinc/75/05/21/705750521.db2.gz KLMFTUURLFASOI-UHFFFAOYSA-N 2 1 350.507 3.397 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000185289605 712690772 /nfs/dbraw/zinc/69/07/72/712690772.db2.gz TZTRQEDUBGROHT-PBHICJAKSA-N 2 1 369.893 3.475 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000185289605 712690774 /nfs/dbraw/zinc/69/07/74/712690774.db2.gz TZTRQEDUBGROHT-PBHICJAKSA-N 2 1 369.893 3.475 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175201 713547945 /nfs/dbraw/zinc/54/79/45/713547945.db2.gz MMHOTVFDRAABDQ-XLIONFOSSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246596094 713626932 /nfs/dbraw/zinc/62/69/32/713626932.db2.gz GBXKDZWRSGZRPS-QZTJIDSGSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@@H+]1C ZINC000302095068 713782757 /nfs/dbraw/zinc/78/27/57/713782757.db2.gz QHWNCWWECIDDBX-IKGGRYGDSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@H+]1C ZINC000302095068 713782761 /nfs/dbraw/zinc/78/27/61/713782761.db2.gz QHWNCWWECIDDBX-IKGGRYGDSA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C(C)(C)C1 ZINC000310677744 713800231 /nfs/dbraw/zinc/80/02/31/713800231.db2.gz QBLZSYQTZLBWFL-IKGGRYGDSA-N 2 1 351.535 3.238 20 0 FGADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2nc(Br)c[nH]2)cc1 ZINC000314324290 713804767 /nfs/dbraw/zinc/80/47/67/713804767.db2.gz YZCAHWGPCPMOBZ-UHFFFAOYSA-N 2 1 351.292 3.304 20 0 FGADMP Cc1cc(Br)ccc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000641789437 717930477 /nfs/dbraw/zinc/93/04/77/717930477.db2.gz PQOZAGAQZCUPGV-AWEZNQCLSA-N 2 1 355.320 3.255 20 0 FGADMP CC(C)(C)OC(=O)Nc1ncc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000374328290 713913840 /nfs/dbraw/zinc/91/38/40/713913840.db2.gz IAGUFTVSLBISKV-STQMWFEESA-N 2 1 352.504 3.207 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000385405789 713983089 /nfs/dbraw/zinc/98/30/89/713983089.db2.gz AEQMXHISTGOOJN-XLAORIBOSA-N 2 1 351.535 3.429 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000521698040 714142743 /nfs/dbraw/zinc/14/27/43/714142743.db2.gz NIUKSSYRFALBSF-ZIFCJYIRSA-N 2 1 352.567 3.059 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523195819 714222282 /nfs/dbraw/zinc/22/22/82/714222282.db2.gz AYQVNOHPNKKTMY-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@@H](C)C1 ZINC000525858849 714384252 /nfs/dbraw/zinc/38/42/52/714384252.db2.gz RLYSRQASKILPHA-SNRMKQJTSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@@H](C)C1 ZINC000525858849 714384253 /nfs/dbraw/zinc/38/42/53/714384253.db2.gz RLYSRQASKILPHA-SNRMKQJTSA-N 2 1 350.478 3.376 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000530901873 714425069 /nfs/dbraw/zinc/42/50/69/714425069.db2.gz DZWJKAJWTVTISL-ZYSHUDEJSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000530901873 714425070 /nfs/dbraw/zinc/42/50/70/714425070.db2.gz DZWJKAJWTVTISL-ZYSHUDEJSA-N 2 1 354.922 3.022 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003841 714620832 /nfs/dbraw/zinc/62/08/32/714620832.db2.gz GGABNXNTPDEOQH-RHSMWYFYSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003841 714620833 /nfs/dbraw/zinc/62/08/33/714620833.db2.gz GGABNXNTPDEOQH-RHSMWYFYSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086763 715162646 /nfs/dbraw/zinc/16/26/46/715162646.db2.gz IWUQVUOWXLTZLG-UHFFFAOYSA-N 2 1 357.889 3.267 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000623381098 715322759 /nfs/dbraw/zinc/32/27/59/715322759.db2.gz AQWCUNBGLGCVHI-CYBMUJFWSA-N 2 1 369.303 3.183 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1(C)C ZINC000623381098 715322771 /nfs/dbraw/zinc/32/27/71/715322771.db2.gz AQWCUNBGLGCVHI-CYBMUJFWSA-N 2 1 369.303 3.183 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396341 715326775 /nfs/dbraw/zinc/32/67/75/715326775.db2.gz PCZRERHOGGFLFH-CVEARBPZSA-N 2 1 351.922 3.390 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454674 715339915 /nfs/dbraw/zinc/33/99/15/715339915.db2.gz NQSHXOCMDBTSSN-GOEBONIOSA-N 2 1 358.448 3.319 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557207 715360828 /nfs/dbraw/zinc/36/08/28/715360828.db2.gz OEQGWLGZKSKJCY-GOEBONIOSA-N 2 1 360.420 3.471 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557207 715360834 /nfs/dbraw/zinc/36/08/34/715360834.db2.gz OEQGWLGZKSKJCY-GOEBONIOSA-N 2 1 360.420 3.471 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000623625067 715374018 /nfs/dbraw/zinc/37/40/18/715374018.db2.gz IOHIGJWSFPRHNP-QRQLOZEOSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000623625067 715374025 /nfs/dbraw/zinc/37/40/25/715374025.db2.gz IOHIGJWSFPRHNP-QRQLOZEOSA-N 2 1 351.485 3.359 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCCO3)CC2)cs1 ZINC000623892567 715426041 /nfs/dbraw/zinc/42/60/41/715426041.db2.gz SYXKHKNUXAAPDK-YJBOKZPZSA-N 2 1 351.560 3.465 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119930 715476734 /nfs/dbraw/zinc/47/67/34/715476734.db2.gz MUSDEQNEROJJHX-GJZGRUSLSA-N 2 1 367.921 3.387 20 0 FGADMP CN1CCO[C@@H]([C@H](NC[C@H]2CCCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122584 715477334 /nfs/dbraw/zinc/47/73/34/715477334.db2.gz WDOOKMVCKQVTEJ-NSISKUIASA-N 2 1 365.949 3.033 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191006 716123295 /nfs/dbraw/zinc/12/32/95/716123295.db2.gz XFTQCDZQJKQZCK-KURKYZTESA-N 2 1 356.432 3.431 20 0 FGADMP [NH3+]C1(C[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CCOCC1 ZINC000629522333 716302914 /nfs/dbraw/zinc/30/29/14/716302914.db2.gz ZYKVSXIIYJMLTB-HNNXBMFYSA-N 2 1 357.267 3.137 20 0 FGADMP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631829539 716687528 /nfs/dbraw/zinc/68/75/28/716687528.db2.gz TUAGMXFGNXYRJF-ZDUSSCGKSA-N 2 1 356.283 3.195 20 0 FGADMP Fc1cc(Br)cnc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631829539 716687533 /nfs/dbraw/zinc/68/75/33/716687533.db2.gz TUAGMXFGNXYRJF-ZDUSSCGKSA-N 2 1 356.283 3.195 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C[C@@H](C)C(C)(C)C)CC2)CC1 ZINC000636429434 717283187 /nfs/dbraw/zinc/28/31/87/717283187.db2.gz HJHPOCAAECIVDH-QGZVFWFLSA-N 2 1 351.579 3.323 20 0 FGADMP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000638294922 717431219 /nfs/dbraw/zinc/43/12/19/717431219.db2.gz UXTIUSZZPGWZOS-GFCCVEGCSA-N 2 1 358.313 3.072 20 0 FGADMP CN1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638303349 717432039 /nfs/dbraw/zinc/43/20/39/717432039.db2.gz CUTXLYMJMOWMOB-ZWKOTPCHSA-N 2 1 366.347 3.268 20 0 FGADMP CN1CC[C@H]([NH2+]C2CC[NH+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638303346 717432129 /nfs/dbraw/zinc/43/21/29/717432129.db2.gz CUTXLYMJMOWMOB-ROUUACIJSA-N 2 1 366.347 3.268 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@](C)(OC)C3CC3)CC2)cs1 ZINC000638624158 717470755 /nfs/dbraw/zinc/47/07/55/717470755.db2.gz XAULDCSGDOCJAZ-LJQANCHMSA-N 2 1 351.560 3.322 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)CC1 ZINC000639758992 717599166 /nfs/dbraw/zinc/59/91/66/717599166.db2.gz ZHXRYKAITGFWSB-UHFFFAOYSA-N 2 1 360.889 3.350 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292554 718275682 /nfs/dbraw/zinc/27/56/82/718275682.db2.gz MJMOGHUJAOCNEA-DOTOQJQBSA-N 2 1 353.869 3.002 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292554 718275684 /nfs/dbraw/zinc/27/56/84/718275684.db2.gz MJMOGHUJAOCNEA-DOTOQJQBSA-N 2 1 353.869 3.002 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295117 718276092 /nfs/dbraw/zinc/27/60/92/718276092.db2.gz VVDSNSDVTCTNIF-SOVGHPHASA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295117 718276093 /nfs/dbraw/zinc/27/60/93/718276093.db2.gz VVDSNSDVTCTNIF-SOVGHPHASA-N 2 1 367.896 3.119 20 0 FGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)[C@H](c2ccccc2)C1 ZINC000647249181 718343112 /nfs/dbraw/zinc/34/31/12/718343112.db2.gz HPRJATBPPDJVOJ-NZSAHSFTSA-N 2 1 357.523 3.430 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)[C@H](c2ccccc2)C1 ZINC000647249181 718343113 /nfs/dbraw/zinc/34/31/13/718343113.db2.gz HPRJATBPPDJVOJ-NZSAHSFTSA-N 2 1 357.523 3.430 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902060 718385599 /nfs/dbraw/zinc/38/55/99/718385599.db2.gz ZIHIJOCKJJSPPF-CJNGLKHVSA-N 2 1 353.869 3.272 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976897 718391332 /nfs/dbraw/zinc/39/13/32/718391332.db2.gz VWOUOOFYKDMNEE-YESZJQIVSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977030 718391366 /nfs/dbraw/zinc/39/13/66/718391366.db2.gz XEXQRMYSRFTSCK-ILXRZTDVSA-N 2 1 351.441 3.003 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977674 718391713 /nfs/dbraw/zinc/39/17/13/718391713.db2.gz FYINONDJNIGXIN-GJZGRUSLSA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977674 718391714 /nfs/dbraw/zinc/39/17/14/718391714.db2.gz FYINONDJNIGXIN-GJZGRUSLSA-N 2 1 360.527 3.225 20 0 FGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476281 718430803 /nfs/dbraw/zinc/43/08/03/718430803.db2.gz PBYVBXPFYMYPJQ-ROUUACIJSA-N 2 1 363.889 3.339 20 0 FGADMP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411789 718512408 /nfs/dbraw/zinc/51/24/08/718512408.db2.gz CFDOABCCLIOUNF-MRXNPFEDSA-N 2 1 364.921 3.165 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708245 718718206 /nfs/dbraw/zinc/71/82/06/718718206.db2.gz WETNRHRJHPKOIR-XGWLTEMNSA-N 2 1 371.294 3.307 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@H]1C[NH3+] ZINC000650715345 718719093 /nfs/dbraw/zinc/71/90/93/718719093.db2.gz YWXLKPDVIVAVIH-RDTXWAMCSA-N 2 1 350.409 3.237 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2c(OC(F)F)ccc3ccccc32)C[C@H]1C[NH3+] ZINC000650715345 718719095 /nfs/dbraw/zinc/71/90/95/718719095.db2.gz YWXLKPDVIVAVIH-RDTXWAMCSA-N 2 1 350.409 3.237 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347145 718934900 /nfs/dbraw/zinc/93/49/00/718934900.db2.gz STRSJUAKJAHHOF-UXLLHSPISA-N 2 1 361.511 3.430 20 0 FGADMP CC(C)CCc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348662 718935230 /nfs/dbraw/zinc/93/52/30/718935230.db2.gz MKSJWOTYARXLEQ-JZXOWHBKSA-N 2 1 351.560 3.450 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350377 718935275 /nfs/dbraw/zinc/93/52/75/718935275.db2.gz WHHYDQMLEGPQNF-HBUWYVDXSA-N 2 1 356.869 3.076 20 0 FGADMP CC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1ccccc1Cl ZINC000655718434 719329499 /nfs/dbraw/zinc/32/94/99/719329499.db2.gz JKRPIFULUJQNSD-DLBZAZTESA-N 2 1 352.906 3.340 20 0 FGADMP CC(C)(C)c1nc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cs1 ZINC000655736554 719332169 /nfs/dbraw/zinc/33/21/69/719332169.db2.gz HLBPRJBNDAJQRY-QGZVFWFLSA-N 2 1 351.560 3.216 20 0 FGADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655739143 719332459 /nfs/dbraw/zinc/33/24/59/719332459.db2.gz XSVASZJCAJCHAL-AZUAARDMSA-N 2 1 363.933 3.152 20 0 FGADMP COC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655773135 719337821 /nfs/dbraw/zinc/33/78/21/719337821.db2.gz RRNOJMLLKQFBPR-XLIONFOSSA-N 2 1 366.933 3.303 20 0 FGADMP Clc1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000655773385 719337937 /nfs/dbraw/zinc/33/79/37/719337937.db2.gz XYTMMGYBYRFHGV-CQSZACIVSA-N 2 1 359.297 3.215 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)C1 ZINC000657595148 719680994 /nfs/dbraw/zinc/68/09/94/719680994.db2.gz FOAMPTGDFQJURF-SFHVURJKSA-N 2 1 353.491 3.153 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)C[C@H](C)O1 ZINC000657829314 719718204 /nfs/dbraw/zinc/71/82/04/719718204.db2.gz YCSRYIIUZKWXFS-IYBDPMFKSA-N 2 1 352.469 3.473 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135785 719761363 /nfs/dbraw/zinc/76/13/63/719761363.db2.gz AUMZIFJSRQRKQS-LEWJYISDSA-N 2 1 356.897 3.164 20 0 FGADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137544 719762173 /nfs/dbraw/zinc/76/21/73/719762173.db2.gz HJKQZSIHDOJUKT-KDOFPFPSSA-N 2 1 359.539 3.431 20 0 FGADMP CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000661948280 720348032 /nfs/dbraw/zinc/34/80/32/720348032.db2.gz HJKDNKSAAKCFGH-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000662153290 720385103 /nfs/dbraw/zinc/38/51/03/720385103.db2.gz AFAGXSDQWVOXLO-SFHVURJKSA-N 2 1 356.432 3.169 20 0 FGADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000662153290 720385106 /nfs/dbraw/zinc/38/51/06/720385106.db2.gz AFAGXSDQWVOXLO-SFHVURJKSA-N 2 1 356.432 3.169 20 0 FGADMP Brc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281740 720409401 /nfs/dbraw/zinc/40/94/01/720409401.db2.gz ZTQRLDIOLPALAA-VXGBXAGGSA-N 2 1 357.317 3.169 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294656 720411517 /nfs/dbraw/zinc/41/15/17/720411517.db2.gz DJYTYPMIIVOOSN-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498551 720435505 /nfs/dbraw/zinc/43/55/05/720435505.db2.gz QHFJZIRLNSOASC-DYVFJYSZSA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498551 720435508 /nfs/dbraw/zinc/43/55/08/720435508.db2.gz QHFJZIRLNSOASC-DYVFJYSZSA-N 2 1 372.340 3.348 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662524147 720438038 /nfs/dbraw/zinc/43/80/38/720438038.db2.gz UKDSDDFSFKHXGL-XJKSGUPXSA-N 2 1 370.335 3.076 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450624 720515999 /nfs/dbraw/zinc/51/59/99/720515999.db2.gz KGEHIUPHVINNFJ-JKSUJKDBSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1C(F)(F)F ZINC000664314612 720623254 /nfs/dbraw/zinc/62/32/54/720623254.db2.gz NENRXSZBLAGBSU-ZDUSSCGKSA-N 2 1 360.424 3.099 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccccc1C(F)(F)F ZINC000664314612 720623257 /nfs/dbraw/zinc/62/32/57/720623257.db2.gz NENRXSZBLAGBSU-ZDUSSCGKSA-N 2 1 360.424 3.099 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CC2CCOCC2)cc1F ZINC000665259401 720748208 /nfs/dbraw/zinc/74/82/08/720748208.db2.gz FDBFYULLAUKSQA-FNHZYXHNSA-N 2 1 350.478 3.075 20 0 FGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000665267045 720748773 /nfs/dbraw/zinc/74/87/73/720748773.db2.gz ORGIZUMZNUSFCG-FPMFFAJLSA-N 2 1 359.333 3.066 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000665291918 720751227 /nfs/dbraw/zinc/75/12/27/720751227.db2.gz OAQDIYRUUMPARI-MRXNPFEDSA-N 2 1 354.376 3.147 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cnc12 ZINC000666996784 721010584 /nfs/dbraw/zinc/01/05/84/721010584.db2.gz FTEZUWHYDJFMPV-AWEZNQCLSA-N 2 1 363.303 3.170 20 0 FGADMP [NH3+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000667729457 721165157 /nfs/dbraw/zinc/16/51/57/721165157.db2.gz HSKHMZVAHHEMOP-MRXNPFEDSA-N 2 1 358.511 3.241 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000667735181 721166334 /nfs/dbraw/zinc/16/63/34/721166334.db2.gz LNKVIBSMUGVFMD-ROUUACIJSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccc(Cl)cc1 ZINC000667735181 721166338 /nfs/dbraw/zinc/16/63/38/721166338.db2.gz LNKVIBSMUGVFMD-ROUUACIJSA-N 2 1 358.873 3.366 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454645 721634075 /nfs/dbraw/zinc/63/40/75/721634075.db2.gz QYCIDCKSTLQFSB-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454645 721634076 /nfs/dbraw/zinc/63/40/76/721634076.db2.gz QYCIDCKSTLQFSB-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454645 721634077 /nfs/dbraw/zinc/63/40/77/721634077.db2.gz QYCIDCKSTLQFSB-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734150 721771181 /nfs/dbraw/zinc/77/11/81/721771181.db2.gz XPQMKPWTYFXJHJ-LBTNJELSSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734150 721771183 /nfs/dbraw/zinc/77/11/83/721771183.db2.gz XPQMKPWTYFXJHJ-LBTNJELSSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734150 721771186 /nfs/dbraw/zinc/77/11/86/721771186.db2.gz XPQMKPWTYFXJHJ-LBTNJELSSA-N 2 1 373.324 3.149 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c(N)c1 ZINC001165028912 721820247 /nfs/dbraw/zinc/82/02/47/721820247.db2.gz YCILGGKRZUZGAR-ILZDJORESA-N 2 1 351.498 3.104 20 0 FGADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC001165041634 721924555 /nfs/dbraw/zinc/92/45/55/721924555.db2.gz AKTIASNUAHLVBE-SFTDATJTSA-N 2 1 372.557 3.320 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C12CCCCC2 ZINC000678928749 721990729 /nfs/dbraw/zinc/99/07/29/721990729.db2.gz UJYIAUHBAIBZCJ-VAMGGRTRSA-N 2 1 350.547 3.347 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C(C)C ZINC000726710957 722437266 /nfs/dbraw/zinc/43/72/66/722437266.db2.gz AVBFVGMZIYRKNO-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=S)NC3CC[NH+](C)CC3)c2C1 ZINC000727704917 722446898 /nfs/dbraw/zinc/44/68/98/722446898.db2.gz KYSRVLMNNKXUBK-OAHLLOKOSA-N 2 1 360.571 3.427 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855305 722571914 /nfs/dbraw/zinc/57/19/14/722571914.db2.gz KCAYHOSZXFBXSY-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855305 722571915 /nfs/dbraw/zinc/57/19/15/722571915.db2.gz KCAYHOSZXFBXSY-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855305 722571916 /nfs/dbraw/zinc/57/19/16/722571916.db2.gz KCAYHOSZXFBXSY-ZWKOTPCHSA-N 2 1 353.551 3.440 20 0 FGADMP CC[C@H]1CCc2c(sc(=O)n2C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780580 722956873 /nfs/dbraw/zinc/95/68/73/722956873.db2.gz ZSVNIHPONZJFHZ-DOTOQJQBSA-N 2 1 363.571 3.046 20 0 FGADMP CC[C@H]1CCc2c(sc(=O)n2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000755780580 722956874 /nfs/dbraw/zinc/95/68/74/722956874.db2.gz ZSVNIHPONZJFHZ-DOTOQJQBSA-N 2 1 363.571 3.046 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)nn3C)CC2)cs1 ZINC000793541440 723447394 /nfs/dbraw/zinc/44/73/94/723447394.db2.gz NFIFDRARBAXQGV-HNNXBMFYSA-N 2 1 361.559 3.310 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765259994 723499112 /nfs/dbraw/zinc/49/91/12/723499112.db2.gz QDAGHBSLWZCJCA-SNRMKQJTSA-N 2 1 354.922 3.100 20 0 FGADMP CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000796263048 723629165 /nfs/dbraw/zinc/62/91/65/723629165.db2.gz FLTUHRAIHULEMA-CGZBRXJRSA-N 2 1 351.535 3.144 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000796702860 723651005 /nfs/dbraw/zinc/65/10/05/723651005.db2.gz DCUHIPNUTGFYHP-KSZLIROESA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000796702860 723651006 /nfs/dbraw/zinc/65/10/06/723651006.db2.gz DCUHIPNUTGFYHP-KSZLIROESA-N 2 1 353.551 3.199 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000796739063 723652815 /nfs/dbraw/zinc/65/28/15/723652815.db2.gz PEOUUDRNYCNZDG-FGTMMUONSA-N 2 1 351.535 3.096 20 0 FGADMP CCc1noc(C)c1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000769860974 723697996 /nfs/dbraw/zinc/69/79/96/723697996.db2.gz ONEIXDVKNQGANQ-WMLDXEAASA-N 2 1 362.543 3.246 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944843 723977221 /nfs/dbraw/zinc/97/72/21/723977221.db2.gz DIPOIAZLNICHQQ-YLJYHZDGSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944843 723977224 /nfs/dbraw/zinc/97/72/24/723977224.db2.gz DIPOIAZLNICHQQ-YLJYHZDGSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944843 723977226 /nfs/dbraw/zinc/97/72/26/723977226.db2.gz DIPOIAZLNICHQQ-YLJYHZDGSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000798942479 723977339 /nfs/dbraw/zinc/97/73/39/723977339.db2.gz LZYDLQHTSJCYLI-FQEVSTJZSA-N 2 1 353.551 3.438 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)nc(N)c2c1C ZINC000799179373 723995380 /nfs/dbraw/zinc/99/53/80/723995380.db2.gz JXCZPQKAZGNFTB-UHFFFAOYSA-N 2 1 359.543 3.198 20 0 FGADMP C[C@@H](C[N@H+](C)C[C@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340071 725025660 /nfs/dbraw/zinc/02/56/60/725025660.db2.gz BMIYLIKUZVOBFF-KBPBESRZSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340071 725025662 /nfs/dbraw/zinc/02/56/62/725025662.db2.gz BMIYLIKUZVOBFF-KBPBESRZSA-N 2 1 361.313 3.149 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812717856 726806292 /nfs/dbraw/zinc/80/62/92/726806292.db2.gz LVIPJMJRTLYSHG-RCCFBDPRSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCCn2ccnc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294184 727237601 /nfs/dbraw/zinc/23/76/01/727237601.db2.gz VGPXPWFADPRBFY-IKGGRYGDSA-N 2 1 350.507 3.144 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Br)ncc1F ZINC000817968512 727289865 /nfs/dbraw/zinc/28/98/65/727289865.db2.gz KTFOBJDSVGCBQI-SNVBAGLBSA-N 2 1 350.235 3.437 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819183170 727355374 /nfs/dbraw/zinc/35/53/74/727355374.db2.gz UMLISUFMPWNKEB-MAUKXSAKSA-N 2 1 369.347 3.440 20 0 FGADMP CSc1ccc([C@H](CNC(=O)CCCn2cc[nH+]c2C)[NH+](C)C)cc1 ZINC000819336165 727368597 /nfs/dbraw/zinc/36/85/97/727368597.db2.gz RUIFMTHJXGYVRD-SFHVURJKSA-N 2 1 360.527 3.113 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@](C)(O)C(F)(F)F)cc2)CC1 ZINC000819444286 727376052 /nfs/dbraw/zinc/37/60/52/727376052.db2.gz HDEJXEZFXIQWJZ-QGZVFWFLSA-N 2 1 359.436 3.190 20 0 FGADMP CC1(C)[C@@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973738 729526899 /nfs/dbraw/zinc/52/68/99/729526899.db2.gz KJTLKZSUHGFASP-ROUUACIJSA-N 2 1 366.933 3.030 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008493 729529587 /nfs/dbraw/zinc/52/95/87/729529587.db2.gz CTOYHTXGGSHHGZ-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008493 729529590 /nfs/dbraw/zinc/52/95/90/729529590.db2.gz CTOYHTXGGSHHGZ-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008493 729529592 /nfs/dbraw/zinc/52/95/92/729529592.db2.gz CTOYHTXGGSHHGZ-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCCC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822819 729670098 /nfs/dbraw/zinc/67/00/98/729670098.db2.gz OYXVWGAHPMPXHS-KRWDZBQOSA-N 2 1 366.937 3.204 20 0 FGADMP CC[NH+](CC)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1F ZINC000834353807 729795741 /nfs/dbraw/zinc/79/57/41/729795741.db2.gz MZQIPORTXLEKKT-MRXNPFEDSA-N 2 1 361.299 3.117 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834496810 729808091 /nfs/dbraw/zinc/80/80/91/729808091.db2.gz QZMQVYGKCSCQBP-ROUUACIJSA-N 2 1 351.535 3.381 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508752 729808569 /nfs/dbraw/zinc/80/85/69/729808569.db2.gz QGJVHUTVIFZPAZ-NJAFHUGGSA-N 2 1 351.535 3.238 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508748 729808630 /nfs/dbraw/zinc/80/86/30/729808630.db2.gz QGJVHUTVIFZPAZ-JQHSSLGASA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834893075 729844427 /nfs/dbraw/zinc/84/44/27/729844427.db2.gz NSNDMAIEOHKTNC-AJYUKVHDSA-N 2 1 351.535 3.237 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128396 730589397 /nfs/dbraw/zinc/58/93/97/730589397.db2.gz XGJDZPHUFLTKJS-NEPJUHHUSA-N 2 1 364.843 3.304 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128396 730589400 /nfs/dbraw/zinc/58/94/00/730589400.db2.gz XGJDZPHUFLTKJS-NEPJUHHUSA-N 2 1 364.843 3.304 20 0 FGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000843353590 730609968 /nfs/dbraw/zinc/60/99/68/730609968.db2.gz CPUMGQWWMRIEAA-XGNXJENSSA-N 2 1 358.313 3.372 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1SC(F)F ZINC000843388445 730612588 /nfs/dbraw/zinc/61/25/88/730612588.db2.gz NUQFUMDWGKLYCL-UONOGXRCSA-N 2 1 369.481 3.261 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331815 730704470 /nfs/dbraw/zinc/70/44/70/730704470.db2.gz MBVGNTKYYKIWEJ-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331815 730704473 /nfs/dbraw/zinc/70/44/73/730704473.db2.gz MBVGNTKYYKIWEJ-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331815 730704474 /nfs/dbraw/zinc/70/44/74/730704474.db2.gz MBVGNTKYYKIWEJ-FQEVSTJZSA-N 2 1 353.551 3.489 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849087452 731227434 /nfs/dbraw/zinc/22/74/34/731227434.db2.gz NKTIQQRZOYGVTR-OAHLLOKOSA-N 2 1 356.436 3.297 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000849105839 731230058 /nfs/dbraw/zinc/23/00/58/731230058.db2.gz FFAGTPHNAQEIOT-DVOMOZLQSA-N 2 1 355.313 3.448 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508767 731366507 /nfs/dbraw/zinc/36/65/07/731366507.db2.gz OATWJNNVTOKXMM-WMZOPIPTSA-N 2 1 357.885 3.079 20 0 FGADMP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000850566709 731374234 /nfs/dbraw/zinc/37/42/34/731374234.db2.gz QRFGFVQATXCHQE-BSDSXHPESA-N 2 1 353.551 3.388 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228236 732194402 /nfs/dbraw/zinc/19/44/02/732194402.db2.gz FHCQHMACKOQHCE-JKSUJKDBSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC000858532296 732224757 /nfs/dbraw/zinc/22/47/57/732224757.db2.gz LZXNBDHODGPBKT-ICUGJSFKSA-N 2 1 351.535 3.237 20 0 FGADMP CSc1ccc(/C=C/C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000858726170 732241696 /nfs/dbraw/zinc/24/16/96/732241696.db2.gz YXHOFSKKRADRPI-HWKANZROSA-N 2 1 374.535 3.269 20 0 FGADMP COC[C@]1(C)CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000859321288 732309991 /nfs/dbraw/zinc/30/99/91/732309991.db2.gz BDCGCYZDFKIDLX-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP COC[C@]1(C)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000859321288 732309995 /nfs/dbraw/zinc/30/99/95/732309995.db2.gz BDCGCYZDFKIDLX-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP COC[C@]1(C)CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000859321288 732310000 /nfs/dbraw/zinc/31/00/00/732310000.db2.gz BDCGCYZDFKIDLX-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000865414328 733194396 /nfs/dbraw/zinc/19/43/96/733194396.db2.gz BFUFIZWVXLZJNF-MELADBBJSA-N 2 1 365.440 3.049 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)CC(F)(F)F ZINC000865414328 733194407 /nfs/dbraw/zinc/19/44/07/733194407.db2.gz BFUFIZWVXLZJNF-MELADBBJSA-N 2 1 365.440 3.049 20 0 FGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000865497013 733213842 /nfs/dbraw/zinc/21/38/42/733213842.db2.gz XKPCWOVSEDOWST-VQTJNVASSA-N 2 1 350.478 3.082 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659616 733247792 /nfs/dbraw/zinc/24/77/92/733247792.db2.gz DLMHAROIUANOQN-FUHWJXTLSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659616 733247795 /nfs/dbraw/zinc/24/77/95/733247795.db2.gz DLMHAROIUANOQN-FUHWJXTLSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659616 733247800 /nfs/dbraw/zinc/24/78/00/733247800.db2.gz DLMHAROIUANOQN-FUHWJXTLSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868103236 733556564 /nfs/dbraw/zinc/55/65/64/733556564.db2.gz QCQAHUMUAJIUFZ-PGYGNJIDSA-N 2 1 352.567 3.203 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025761 735577889 /nfs/dbraw/zinc/57/78/89/735577889.db2.gz SPABTKCTRWWJGC-QGPMSJSTSA-N 2 1 367.331 3.458 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872031024 735579217 /nfs/dbraw/zinc/57/92/17/735579217.db2.gz LBUAGICSTJWKRJ-RDJZCZTQSA-N 2 1 364.287 3.321 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156180 735596991 /nfs/dbraw/zinc/59/69/91/735596991.db2.gz FZOSWHOZPLNSIL-YLJYHZDGSA-N 2 1 364.555 3.210 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156180 735596995 /nfs/dbraw/zinc/59/69/95/735596995.db2.gz FZOSWHOZPLNSIL-YLJYHZDGSA-N 2 1 364.555 3.210 20 0 FGADMP [NH3+][C@H](C[C@@H]1CCC[N@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157432 735597193 /nfs/dbraw/zinc/59/71/93/735597193.db2.gz ONOOJIMITOWZID-GXTWGEPZSA-N 2 1 360.424 3.294 20 0 FGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)C1)C1CCCC1 ZINC000872157432 735597195 /nfs/dbraw/zinc/59/71/95/735597195.db2.gz ONOOJIMITOWZID-GXTWGEPZSA-N 2 1 360.424 3.294 20 0 FGADMP Cc1sc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000873080884 735718278 /nfs/dbraw/zinc/71/82/78/735718278.db2.gz VICJXVLGTXMIFU-HOTGVXAUSA-N 2 1 373.360 3.286 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000876029288 736050158 /nfs/dbraw/zinc/05/01/58/736050158.db2.gz BZZBULRDEVTYGK-MJGOQNOKSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000876560589 736113546 /nfs/dbraw/zinc/11/35/46/736113546.db2.gz HMFUIISASDAQJR-CYBMUJFWSA-N 2 1 367.456 3.248 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000876560589 736113549 /nfs/dbraw/zinc/11/35/49/736113549.db2.gz HMFUIISASDAQJR-CYBMUJFWSA-N 2 1 367.456 3.248 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000876897876 736160028 /nfs/dbraw/zinc/16/00/28/736160028.db2.gz HRVOADQXHSITEX-CGTJXYLNSA-N 2 1 351.535 3.238 20 0 FGADMP Nc1c(Cl)cccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000877190431 736196491 /nfs/dbraw/zinc/19/64/91/736196491.db2.gz FISZERZLTIYBNU-GOSISDBHSA-N 2 1 359.901 3.169 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)nc1C ZINC000880324470 737156722 /nfs/dbraw/zinc/15/67/22/737156722.db2.gz HWMPCFSCTBDOPG-OAHLLOKOSA-N 2 1 362.499 3.013 20 0 FGADMP CCOC(=O)c1sc([C@@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)nc1C ZINC000880324470 737156725 /nfs/dbraw/zinc/15/67/25/737156725.db2.gz HWMPCFSCTBDOPG-OAHLLOKOSA-N 2 1 362.499 3.013 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000880471052 737177480 /nfs/dbraw/zinc/17/74/80/737177480.db2.gz OOFSGRTWKFDZCK-APWZRJJASA-N 2 1 366.933 3.339 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883359114 737557173 /nfs/dbraw/zinc/55/71/73/737557173.db2.gz YRELDYQEDKNAAS-BPLDGKMQSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883359114 737557174 /nfs/dbraw/zinc/55/71/74/737557174.db2.gz YRELDYQEDKNAAS-BPLDGKMQSA-N 2 1 366.374 3.045 20 0 FGADMP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H](O)C(F)(F)F ZINC000886558491 739267248 /nfs/dbraw/zinc/26/72/48/739267248.db2.gz LSLXKAPROGDECX-ATIWLJMLSA-N 2 1 356.432 3.331 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821424 739306104 /nfs/dbraw/zinc/30/61/04/739306104.db2.gz BXNWIMKDBQGJDK-TUFLPTIASA-N 2 1 350.547 3.159 20 0 FGADMP C[NH+]1CCC(C[N@@H+](C2CC2)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000891629150 739922279 /nfs/dbraw/zinc/92/22/79/739922279.db2.gz BTFSLJCYKMBWBB-UHFFFAOYSA-N 2 1 351.535 3.192 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000896931108 742617675 /nfs/dbraw/zinc/61/76/75/742617675.db2.gz DPJPPLGMPUYCOG-GDBMZVCRSA-N 2 1 365.543 3.105 20 0 FGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903164458 743815322 /nfs/dbraw/zinc/81/53/22/743815322.db2.gz HUDMEGWEFZTIDZ-DJXYKJKZSA-N 2 1 362.539 3.289 20 0 FGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903164458 743815325 /nfs/dbraw/zinc/81/53/25/743815325.db2.gz HUDMEGWEFZTIDZ-DJXYKJKZSA-N 2 1 362.539 3.289 20 0 FGADMP C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1CC[NH3+] ZINC000903494518 743856265 /nfs/dbraw/zinc/85/62/65/743856265.db2.gz ICAICZQKAITVBJ-GHMZBOCLSA-N 2 1 363.811 3.214 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)C[C@H]1CC[NH3+] ZINC000903494518 743856268 /nfs/dbraw/zinc/85/62/68/743856268.db2.gz ICAICZQKAITVBJ-GHMZBOCLSA-N 2 1 363.811 3.214 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC000903758770 743880936 /nfs/dbraw/zinc/88/09/36/743880936.db2.gz MHXGEYVGMWNPNC-WWGRRREGSA-N 2 1 371.344 3.416 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)nc1C ZINC000903781964 743883243 /nfs/dbraw/zinc/88/32/43/743883243.db2.gz YFYWTBJZFGCBRR-HNNXBMFYSA-N 2 1 365.543 3.197 20 0 FGADMP CCOC(=O)c1csc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783375 743883503 /nfs/dbraw/zinc/88/35/03/743883503.db2.gz XSBPTEXPVSCCGI-GDBMZVCRSA-N 2 1 365.543 3.439 20 0 FGADMP CCOC(=O)c1csc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783375 743883507 /nfs/dbraw/zinc/88/35/07/743883507.db2.gz XSBPTEXPVSCCGI-GDBMZVCRSA-N 2 1 365.543 3.439 20 0 FGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974429 743907154 /nfs/dbraw/zinc/90/71/54/743907154.db2.gz VEQVZFZUJQBFDA-RHSMWYFYSA-N 2 1 356.432 3.385 20 0 FGADMP c1nc(C2CCCC2)sc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903979966 743907778 /nfs/dbraw/zinc/90/77/78/743907778.db2.gz AJGPTRPOFGVTQA-HDICACEKSA-N 2 1 360.571 3.201 20 0 FGADMP [NH3+][C@H]1C[C@@H](C[N@@H+](Cc2cccc(Br)c2)C2CCOCC2)C1 ZINC000904341998 743948426 /nfs/dbraw/zinc/94/84/26/743948426.db2.gz UALFAYCCLVMIRL-FZNQNYSPSA-N 2 1 353.304 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cccs1 ZINC000904655137 743966509 /nfs/dbraw/zinc/96/65/09/743966509.db2.gz QEXSQKGUOHHMRV-QAPCUYQASA-N 2 1 358.511 3.411 20 0 FGADMP Cc1cccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C ZINC000919718928 758466309 /nfs/dbraw/zinc/46/63/09/758466309.db2.gz IOYQHZXOZHTFNE-UHFFFAOYSA-N 2 1 355.511 3.259 20 0 FGADMP Brc1c[nH]c(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)n1 ZINC000921506116 758729041 /nfs/dbraw/zinc/72/90/41/758729041.db2.gz NJDIXFHDFXSMLY-UHFFFAOYSA-N 2 1 363.303 3.448 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923315745 759099258 /nfs/dbraw/zinc/09/92/58/759099258.db2.gz ZNFBKLSROSYPSL-MGNMYUMUSA-N 2 1 350.507 3.156 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923315745 759099265 /nfs/dbraw/zinc/09/92/65/759099265.db2.gz ZNFBKLSROSYPSL-MGNMYUMUSA-N 2 1 350.507 3.156 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923499023 759132369 /nfs/dbraw/zinc/13/23/69/759132369.db2.gz QELHUEXAJCSHBJ-CZUORRHYSA-N 2 1 359.495 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923506428 759135220 /nfs/dbraw/zinc/13/52/20/759135220.db2.gz FMVLGJWSQDBIGT-GHMZBOCLSA-N 2 1 363.811 3.214 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923506434 759135540 /nfs/dbraw/zinc/13/55/40/759135540.db2.gz FMVLGJWSQDBIGT-QWRGUYRKSA-N 2 1 363.811 3.214 20 0 FGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000925842584 759556461 /nfs/dbraw/zinc/55/64/61/759556461.db2.gz AYIDTUUEMLMPPZ-IAGOWNOFSA-N 2 1 360.571 3.453 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061138 760520052 /nfs/dbraw/zinc/52/00/52/760520052.db2.gz QQYVPNXDHKCMGH-FVVUREQNSA-N 2 1 350.453 3.219 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061138 760520063 /nfs/dbraw/zinc/52/00/63/760520063.db2.gz QQYVPNXDHKCMGH-FVVUREQNSA-N 2 1 350.453 3.219 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995828606 764970756 /nfs/dbraw/zinc/97/07/56/764970756.db2.gz ZPQIBRIKJBGHLA-QGPMSJSTSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000997597347 765069488 /nfs/dbraw/zinc/06/94/88/765069488.db2.gz SPILSVIHQOWQJN-ZYSHUDEJSA-N 2 1 363.571 3.195 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@@H+](CCC(C)(C)C)CC1 ZINC000998015007 765091454 /nfs/dbraw/zinc/09/14/54/765091454.db2.gz BJIWQTDYVBOJLA-GUDVDZBRSA-N 2 1 351.579 3.466 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000998015007 765091462 /nfs/dbraw/zinc/09/14/62/765091462.db2.gz BJIWQTDYVBOJLA-GUDVDZBRSA-N 2 1 351.579 3.466 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC000998015007 765091471 /nfs/dbraw/zinc/09/14/71/765091471.db2.gz BJIWQTDYVBOJLA-GUDVDZBRSA-N 2 1 351.579 3.466 20 0 FGADMP Cc1cc(Cl)ccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000998795550 765125417 /nfs/dbraw/zinc/12/54/17/765125417.db2.gz IKCUBPPTGVUGLQ-YOODTLSXSA-N 2 1 363.933 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@H+]1C ZINC001018867133 765847348 /nfs/dbraw/zinc/84/73/48/765847348.db2.gz IAZXFWXKZRYCDH-OAUYIBNBSA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001020174819 765867100 /nfs/dbraw/zinc/86/71/00/765867100.db2.gz SIIVUJINPWDHDS-IUVQAAGXSA-N 2 1 363.933 3.116 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2csc(C)c2)CC[N@H+]1C ZINC001024967711 766064709 /nfs/dbraw/zinc/06/47/09/766064709.db2.gz FKKPZUNEYOBMJO-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001027417432 766093288 /nfs/dbraw/zinc/09/32/88/766093288.db2.gz YEFVEWLTLQSSOR-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001027417432 766093295 /nfs/dbraw/zinc/09/32/95/766093295.db2.gz YEFVEWLTLQSSOR-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001027417432 766093303 /nfs/dbraw/zinc/09/33/03/766093303.db2.gz YEFVEWLTLQSSOR-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001028553949 766124747 /nfs/dbraw/zinc/12/47/47/766124747.db2.gz RXVHENWRJXNYBA-NZSAHSFTSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001028553949 766124754 /nfs/dbraw/zinc/12/47/54/766124754.db2.gz RXVHENWRJXNYBA-NZSAHSFTSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001028553949 766124761 /nfs/dbraw/zinc/12/47/61/766124761.db2.gz RXVHENWRJXNYBA-NZSAHSFTSA-N 2 1 363.571 3.033 20 0 FGADMP Cc1cc(C[NH+](C)CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001029966579 766159461 /nfs/dbraw/zinc/15/94/61/766159461.db2.gz ZMDMAWGYTXKTFT-VQIMIIECSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(C[N@@H+](C)CC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cs1 ZINC001029966579 766159466 /nfs/dbraw/zinc/15/94/66/766159466.db2.gz ZMDMAWGYTXKTFT-VQIMIIECSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(C[N@H+](C)CC2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cs1 ZINC001029966579 766159472 /nfs/dbraw/zinc/15/94/72/766159472.db2.gz ZMDMAWGYTXKTFT-VQIMIIECSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001033095239 766206096 /nfs/dbraw/zinc/20/60/96/766206096.db2.gz VBIJWIZWGYOKAM-ATZDWAIDSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095239 766206098 /nfs/dbraw/zinc/20/60/98/766206098.db2.gz VBIJWIZWGYOKAM-ATZDWAIDSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001033095239 766206103 /nfs/dbraw/zinc/20/61/03/766206103.db2.gz VBIJWIZWGYOKAM-ATZDWAIDSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC=C(Cl)Cl)C2)CC[N@@H+]1C ZINC001034215682 766233010 /nfs/dbraw/zinc/23/30/10/766233010.db2.gz CAMWRLYNTHBIEW-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CC=C(Cl)Cl)C2)CC[N@H+]1C ZINC001034215682 766233019 /nfs/dbraw/zinc/23/30/19/766233019.db2.gz CAMWRLYNTHBIEW-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC=C(Cl)Cl)C2)CC[NH+]1C ZINC001034215682 766233023 /nfs/dbraw/zinc/23/30/23/766233023.db2.gz CAMWRLYNTHBIEW-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](CC=C(Cl)Cl)C2)CC[NH+]1C ZINC001034215682 766233029 /nfs/dbraw/zinc/23/30/29/766233029.db2.gz CAMWRLYNTHBIEW-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001045444897 766537803 /nfs/dbraw/zinc/53/78/03/766537803.db2.gz JEEOUCSZMAYANF-UKRRQHHQSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001045444897 766537806 /nfs/dbraw/zinc/53/78/06/766537806.db2.gz JEEOUCSZMAYANF-UKRRQHHQSA-N 2 1 369.962 3.212 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046329803 766584340 /nfs/dbraw/zinc/58/43/40/766584340.db2.gz RZCSLKPIEROARP-JXXFODFXSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329803 766584346 /nfs/dbraw/zinc/58/43/46/766584346.db2.gz RZCSLKPIEROARP-JXXFODFXSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329803 766584353 /nfs/dbraw/zinc/58/43/53/766584353.db2.gz RZCSLKPIEROARP-JXXFODFXSA-N 2 1 363.933 3.069 20 0 FGADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000328630421 223121675 /nfs/dbraw/zinc/12/16/75/223121675.db2.gz JJOMHSDOQVXACZ-FCHUYYIVSA-N 2 1 368.525 3.377 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565909 257374827 /nfs/dbraw/zinc/37/48/27/257374827.db2.gz IUSSTQNWTAPHLS-GOTSBHOMSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000567974186 505586911 /nfs/dbraw/zinc/58/69/11/505586911.db2.gz WNGDAIDTFNZFBJ-QGZVFWFLSA-N 2 1 367.493 3.094 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H](CC(C)(C)C)C3)CC2)CC1 ZINC000579612192 505587281 /nfs/dbraw/zinc/58/72/81/505587281.db2.gz AWOQFWJYGCUBMP-SFHVURJKSA-N 2 1 363.590 3.467 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000567980514 505589032 /nfs/dbraw/zinc/58/90/32/505589032.db2.gz CKUVCUHCFHQCCN-WIYYLYMNSA-N 2 1 357.542 3.498 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000070170500 494042444 /nfs/dbraw/zinc/04/24/44/494042444.db2.gz CCBCEWMAHQLPNH-NSHDSACASA-N 2 1 374.710 3.102 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)C1 ZINC000070170500 494042447 /nfs/dbraw/zinc/04/24/47/494042447.db2.gz CCBCEWMAHQLPNH-NSHDSACASA-N 2 1 374.710 3.102 20 0 FGADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)ncn1 ZINC000570908881 505609133 /nfs/dbraw/zinc/60/91/33/505609133.db2.gz JKIYJNRYMCDZGF-NHCUHLMSSA-N 2 1 365.525 3.091 20 0 FGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[S@@](C)=O ZINC000568076884 505610430 /nfs/dbraw/zinc/61/04/30/505610430.db2.gz DGXGQLRDOBUUNE-ONDKGVJBSA-N 2 1 362.583 3.424 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000570917923 505611113 /nfs/dbraw/zinc/61/11/13/505611113.db2.gz HKTDSQDMWBZNQF-SFHVURJKSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000576957945 505634034 /nfs/dbraw/zinc/63/40/34/505634034.db2.gz UAMFLDXSADWTKI-BBWFWOEESA-N 2 1 354.498 3.245 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCc4ccccc43)CC2)CC1 ZINC000568188810 505638648 /nfs/dbraw/zinc/63/86/48/505638648.db2.gz SHKMFTYKTIXLIK-HXUWFJFHSA-N 2 1 369.553 3.029 20 0 FGADMP CC(C)[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047969603 493767185 /nfs/dbraw/zinc/76/71/85/493767185.db2.gz FJECAJPYHUPASS-JOCHJYFZSA-N 2 1 357.542 3.308 20 0 FGADMP CCCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337470 493845336 /nfs/dbraw/zinc/84/53/36/493845336.db2.gz KCSKOPUZSGITGA-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP CCCC[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337470 493845334 /nfs/dbraw/zinc/84/53/34/493845334.db2.gz KCSKOPUZSGITGA-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024742 493892278 /nfs/dbraw/zinc/89/22/78/493892278.db2.gz OLHHYIKIGXDILU-RBUKOAKNSA-N 2 1 371.550 3.379 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578923 493922134 /nfs/dbraw/zinc/92/21/34/493922134.db2.gz JWDVMFPHQXSTEY-NQIIRXRSSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578923 493922137 /nfs/dbraw/zinc/92/21/37/493922137.db2.gz JWDVMFPHQXSTEY-NQIIRXRSSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578923 493922140 /nfs/dbraw/zinc/92/21/40/493922140.db2.gz JWDVMFPHQXSTEY-NQIIRXRSSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000081578923 493922142 /nfs/dbraw/zinc/92/21/42/493922142.db2.gz JWDVMFPHQXSTEY-NQIIRXRSSA-N 2 1 356.510 3.243 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000577221563 505690495 /nfs/dbraw/zinc/69/04/95/505690495.db2.gz YUBAJNGISKVXSR-OSFYFWSMSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000577221563 505690500 /nfs/dbraw/zinc/69/05/00/505690500.db2.gz YUBAJNGISKVXSR-OSFYFWSMSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000568427420 505691583 /nfs/dbraw/zinc/69/15/83/505691583.db2.gz UUMVEMVBBVPROP-HOJAQTOUSA-N 2 1 352.478 3.327 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000081930939 493967818 /nfs/dbraw/zinc/96/78/18/493967818.db2.gz ORMWTHYLHXKITC-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000081930939 493967823 /nfs/dbraw/zinc/96/78/23/493967823.db2.gz ORMWTHYLHXKITC-OAQYLSRUSA-N 2 1 369.484 3.168 20 0 FGADMP CC[C@H](Sc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000580167350 505693418 /nfs/dbraw/zinc/69/34/18/505693418.db2.gz UJHLMIZQZMYNPN-IBGZPJMESA-N 2 1 370.522 3.343 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C(C)C)CC2)cc1 ZINC000063619155 494071077 /nfs/dbraw/zinc/07/10/77/494071077.db2.gz QTVXPMVXSCLURZ-NRFANRHFSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C(C)C)CC2)cc1 ZINC000063619155 494071079 /nfs/dbraw/zinc/07/10/79/494071079.db2.gz QTVXPMVXSCLURZ-NRFANRHFSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3C(C)C)CC2)cc1 ZINC000063619155 494071082 /nfs/dbraw/zinc/07/10/82/494071082.db2.gz QTVXPMVXSCLURZ-NRFANRHFSA-N 2 1 357.542 3.150 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063710810 494078243 /nfs/dbraw/zinc/07/82/43/494078243.db2.gz ZCIYRSPTBBCSEO-HXUWFJFHSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000064057466 494104068 /nfs/dbraw/zinc/10/40/68/494104068.db2.gz XMJMGTBFWNCUQH-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000064057466 494104071 /nfs/dbraw/zinc/10/40/71/494104071.db2.gz XMJMGTBFWNCUQH-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000064057466 494104073 /nfs/dbraw/zinc/10/40/73/494104073.db2.gz XMJMGTBFWNCUQH-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000086248225 494146886 /nfs/dbraw/zinc/14/68/86/494146886.db2.gz AVOMJRZITSUVFQ-MRXNPFEDSA-N 2 1 354.498 3.478 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000054509962 494241856 /nfs/dbraw/zinc/24/18/56/494241856.db2.gz CWNBKQODBPNXTD-HXUWFJFHSA-N 2 1 360.546 3.060 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000088703154 494256227 /nfs/dbraw/zinc/25/62/27/494256227.db2.gz MHCFKEWJATYWLD-NRFANRHFSA-N 3 1 372.601 3.429 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000088703154 494256231 /nfs/dbraw/zinc/25/62/31/494256231.db2.gz MHCFKEWJATYWLD-NRFANRHFSA-N 2 1 372.601 3.429 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000088703154 494256237 /nfs/dbraw/zinc/25/62/37/494256237.db2.gz MHCFKEWJATYWLD-NRFANRHFSA-N 2 1 372.601 3.429 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000089393718 494298770 /nfs/dbraw/zinc/29/87/70/494298770.db2.gz BPIXWNGBIQJNQR-NRFANRHFSA-N 2 1 366.509 3.107 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000066704723 494389189 /nfs/dbraw/zinc/38/91/89/494389189.db2.gz IDYSFSZCAVSQOY-IBGZPJMESA-N 2 1 352.567 3.157 20 0 FGADMP c1[nH+]c2c(n1Cc1nc(-c3cccc(C[NH+]4CCCC4)c3)no1)CCCC2 ZINC000574198343 505718068 /nfs/dbraw/zinc/71/80/68/505718068.db2.gz XPIRRGDXXDDATO-UHFFFAOYSA-N 2 1 363.465 3.456 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000073653711 494407819 /nfs/dbraw/zinc/40/78/19/494407819.db2.gz CAWAJPFEYCRROI-RYRKJORJSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000079393011 494446139 /nfs/dbraw/zinc/44/61/39/494446139.db2.gz HJXGSGSMTZTNPJ-UXHICEINSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000079393011 494446142 /nfs/dbraw/zinc/44/61/42/494446142.db2.gz HJXGSGSMTZTNPJ-UXHICEINSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000079393011 494446145 /nfs/dbraw/zinc/44/61/45/494446145.db2.gz HJXGSGSMTZTNPJ-UXHICEINSA-N 2 1 366.594 3.452 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)CC1 ZINC000079599404 494490436 /nfs/dbraw/zinc/49/04/36/494490436.db2.gz NRNYLOACELFCIL-MSOLQXFVSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000079599404 494490440 /nfs/dbraw/zinc/49/04/40/494490440.db2.gz NRNYLOACELFCIL-MSOLQXFVSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000079599404 494490441 /nfs/dbraw/zinc/49/04/41/494490441.db2.gz NRNYLOACELFCIL-MSOLQXFVSA-N 2 1 352.567 3.011 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000090721074 494494298 /nfs/dbraw/zinc/49/42/98/494494298.db2.gz ONEXHLISACOFHC-WCQYABFASA-N 2 1 357.292 3.039 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000090721074 494494301 /nfs/dbraw/zinc/49/43/01/494494301.db2.gz ONEXHLISACOFHC-WCQYABFASA-N 2 1 357.292 3.039 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000074188151 494494408 /nfs/dbraw/zinc/49/44/08/494494408.db2.gz TXKTWUGYGROUPU-LJQANCHMSA-N 2 1 356.514 3.378 20 0 FGADMP COc1c(C)cnc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000067227517 494497191 /nfs/dbraw/zinc/49/71/91/494497191.db2.gz FFHBZONLNVMXHU-CALCHBBNSA-N 2 1 361.530 3.028 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000577426097 505724433 /nfs/dbraw/zinc/72/44/33/505724433.db2.gz UQJOZOALZDUGKN-UHFFFAOYSA-N 2 1 356.341 3.453 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249906 494504281 /nfs/dbraw/zinc/50/42/81/494504281.db2.gz TUCHEROKCVMJQS-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000074299756 494513912 /nfs/dbraw/zinc/51/39/12/494513912.db2.gz BDNNZTPQHRGFQA-WMQCIHAUSA-N 2 1 370.541 3.090 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)[nH+]c1 ZINC000074333352 494520877 /nfs/dbraw/zinc/52/08/77/494520877.db2.gz UEVMINMCVLQCLZ-UHFFFAOYSA-N 2 1 360.546 3.232 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000074713505 494580410 /nfs/dbraw/zinc/58/04/10/494580410.db2.gz HVNFQTXSNAQBSD-UHFFFAOYSA-N 2 1 366.594 3.262 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000091333569 494583800 /nfs/dbraw/zinc/58/38/00/494583800.db2.gz GQUYGKGZSWOFBT-PXNSSMCTSA-N 2 1 361.505 3.234 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2F)C2CCCC2)C1 ZINC000091333569 494583809 /nfs/dbraw/zinc/58/38/09/494583809.db2.gz GQUYGKGZSWOFBT-PXNSSMCTSA-N 2 1 361.505 3.234 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2cccc(C)n2)CC1 ZINC000125996379 494599707 /nfs/dbraw/zinc/59/97/07/494599707.db2.gz CVOFJCKRHBXRSE-UHFFFAOYSA-N 2 1 355.486 3.026 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2)n1 ZINC000067693059 494612839 /nfs/dbraw/zinc/61/28/39/494612839.db2.gz JAPXIVAEISOBTD-HNNXBMFYSA-N 2 1 364.415 3.465 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000126078939 494629649 /nfs/dbraw/zinc/62/96/49/494629649.db2.gz OJNCVEWMVFFKLR-VQIMIIECSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000126078939 494629656 /nfs/dbraw/zinc/62/96/56/494629656.db2.gz OJNCVEWMVFFKLR-VQIMIIECSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000121177726 494632654 /nfs/dbraw/zinc/63/26/54/494632654.db2.gz MBLYMNSVTXMTRA-WMZHIEFXSA-N 2 1 367.537 3.208 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074878970 494640014 /nfs/dbraw/zinc/64/00/14/494640014.db2.gz FFYPNASJFNGVCI-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074878970 494640021 /nfs/dbraw/zinc/64/00/21/494640021.db2.gz FFYPNASJFNGVCI-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074878970 494640022 /nfs/dbraw/zinc/64/00/22/494640022.db2.gz FFYPNASJFNGVCI-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2ccc(C)cn2)CC1 ZINC000126151124 494654369 /nfs/dbraw/zinc/65/43/69/494654369.db2.gz AARYXCDOAWKGCP-UHFFFAOYSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1ccccc1-c1noc([C@@H](C)[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000074981837 494667851 /nfs/dbraw/zinc/66/78/51/494667851.db2.gz KMXGZFITGPKJPF-QGZVFWFLSA-N 2 1 370.497 3.150 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000577481925 505737229 /nfs/dbraw/zinc/73/72/29/505737229.db2.gz KPIZKXOPJNIKDC-LJQANCHMSA-N 2 1 367.497 3.413 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080599013 494741180 /nfs/dbraw/zinc/74/11/80/494741180.db2.gz YXOVITWNZJKLON-MSOLQXFVSA-N 2 1 359.514 3.220 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080610647 494744600 /nfs/dbraw/zinc/74/46/00/494744600.db2.gz DLSBODCLJPERRD-OALUTQOASA-N 2 1 373.566 3.357 20 0 FGADMP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000075410835 494760559 /nfs/dbraw/zinc/76/05/59/494760559.db2.gz QZYBUAZXRYITQL-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H](C(=O)NC1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820873 494760827 /nfs/dbraw/zinc/76/08/27/494760827.db2.gz FQFYHDVCCNIQHS-SFHVURJKSA-N 2 1 372.557 3.457 20 0 FGADMP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821609 494764297 /nfs/dbraw/zinc/76/42/97/494764297.db2.gz YUFHGXAGRZBXCZ-OAHLLOKOSA-N 2 1 373.526 3.104 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CCCN(C)Cc1ccco1 ZINC000571469485 505740861 /nfs/dbraw/zinc/74/08/61/505740861.db2.gz ZIWHFBKFTOHUQG-SFHVURJKSA-N 2 1 357.498 3.047 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000571469485 505740865 /nfs/dbraw/zinc/74/08/65/505740865.db2.gz ZIWHFBKFTOHUQG-SFHVURJKSA-N 2 1 357.498 3.047 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000116433866 494785211 /nfs/dbraw/zinc/78/52/11/494785211.db2.gz NXEWJYYQVBEHPV-GOSISDBHSA-N 2 1 360.546 3.242 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(Cn2ccnn2)CC1 ZINC000092098566 494787188 /nfs/dbraw/zinc/78/71/88/494787188.db2.gz HUXCDRVKXVKEGR-UHFFFAOYSA-N 2 1 355.530 3.148 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000075538695 494789503 /nfs/dbraw/zinc/78/95/03/494789503.db2.gz ZKKODZTVYJLBIT-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000121613574 494819394 /nfs/dbraw/zinc/81/93/94/494819394.db2.gz ZFFANCZAKDSZKW-UHFFFAOYSA-N 2 1 372.538 3.412 20 0 FGADMP CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484362 505743835 /nfs/dbraw/zinc/74/38/35/505743835.db2.gz QXAYZSLSKVOOIK-NQIIRXRSSA-N 2 1 374.573 3.181 20 0 FGADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484362 505743839 /nfs/dbraw/zinc/74/38/39/505743839.db2.gz QXAYZSLSKVOOIK-NQIIRXRSSA-N 2 1 374.573 3.181 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(OC)ccc4ccccc43)C2)CC1 ZINC000093132727 494829998 /nfs/dbraw/zinc/82/99/98/494829998.db2.gz XKLLWFCMXHFPPM-IBGZPJMESA-N 2 1 353.510 3.060 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)c(OC(F)F)c(C)c3)C2)CC1 ZINC000093132844 494830213 /nfs/dbraw/zinc/83/02/13/494830213.db2.gz HPAZAQDCYSNQAE-GOSISDBHSA-N 2 1 367.484 3.117 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4cc(OC)ccc4c3)C2)CC1 ZINC000093132747 494830858 /nfs/dbraw/zinc/83/08/58/494830858.db2.gz VBNUSAZRQULLPY-NRFANRHFSA-N 2 1 353.510 3.060 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCc3cccc4ccccc43)C2)CC1 ZINC000132303128 494854463 /nfs/dbraw/zinc/85/44/63/494854463.db2.gz VUQMAFUTWXSKJW-QFIPXVFZSA-N 2 1 351.538 3.484 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000093669305 494911396 /nfs/dbraw/zinc/91/13/96/494911396.db2.gz JKLXVLJJXPADQW-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000093669305 494911399 /nfs/dbraw/zinc/91/13/99/494911399.db2.gz JKLXVLJJXPADQW-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)CC1 ZINC000109786904 494917611 /nfs/dbraw/zinc/91/76/11/494917611.db2.gz AUJSGNUTRWUWLD-FQEVSTJZSA-N 2 1 356.510 3.386 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(OC)c(F)c2)CC1 ZINC000122196320 494938787 /nfs/dbraw/zinc/93/87/87/494938787.db2.gz ZVQXKALDTXCWLH-UHFFFAOYSA-N 2 1 352.494 3.405 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132913736 494942297 /nfs/dbraw/zinc/94/22/97/494942297.db2.gz RHQYQXQTKPZZKF-QHCPKHFHSA-N 2 1 372.601 3.427 20 0 FGADMP Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000122257577 494948160 /nfs/dbraw/zinc/94/81/60/494948160.db2.gz BRZAGKHCBGBQKW-OAQYLSRUSA-N 2 1 357.542 3.429 20 0 FGADMP CCc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000110545150 494987778 /nfs/dbraw/zinc/98/77/78/494987778.db2.gz YIHPFUXPRZYVTP-QZTJIDSGSA-N 2 1 373.541 3.009 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000127801150 495000824 /nfs/dbraw/zinc/00/08/24/495000824.db2.gz VPXXYVDYUXRXPX-BPAFIMBUSA-N 2 1 359.489 3.329 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000580417623 505755044 /nfs/dbraw/zinc/75/50/44/505755044.db2.gz RZGLYEMDWXSXGM-NSHGMRRFSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000580417623 505755046 /nfs/dbraw/zinc/75/50/46/505755046.db2.gz RZGLYEMDWXSXGM-NSHGMRRFSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000580417623 505755049 /nfs/dbraw/zinc/75/50/49/505755049.db2.gz RZGLYEMDWXSXGM-NSHGMRRFSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)oc2cc1C ZINC000127992473 495027664 /nfs/dbraw/zinc/02/76/64/495027664.db2.gz MDNKJWJBBXHELJ-SJORKVTESA-N 2 1 357.498 3.288 20 0 FGADMP Cc1cc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)oc2cc1C ZINC000127992473 495027665 /nfs/dbraw/zinc/02/76/65/495027665.db2.gz MDNKJWJBBXHELJ-SJORKVTESA-N 2 1 357.498 3.288 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCCC[N@H+]3CCC[C@H](C)C3)CC2)[nH+]c1 ZINC000097376434 495033950 /nfs/dbraw/zinc/03/39/50/495033950.db2.gz SMFILDDIPJZIMI-IBGZPJMESA-N 2 1 372.557 3.235 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCCC[N@@H+]3CCC[C@H](C)C3)CC2)[nH+]c1 ZINC000097376434 495033952 /nfs/dbraw/zinc/03/39/52/495033952.db2.gz SMFILDDIPJZIMI-IBGZPJMESA-N 2 1 372.557 3.235 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868426 495051227 /nfs/dbraw/zinc/05/12/27/495051227.db2.gz HFGXFFGAEYKMLC-UHFFFAOYSA-N 2 1 367.921 3.259 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000111241145 495052751 /nfs/dbraw/zinc/05/27/51/495052751.db2.gz LSTODCSXCJBFII-NRFANRHFSA-N 2 1 356.510 3.386 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144379 495061501 /nfs/dbraw/zinc/06/15/01/495061501.db2.gz FEOKPVRXIBNEMH-GOEBONIOSA-N 2 1 360.420 3.329 20 0 FGADMP O=C1Nc2ccccc2[C@@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000133991719 495090831 /nfs/dbraw/zinc/09/08/31/495090831.db2.gz HXSDGOGKFLXZAL-NRFANRHFSA-N 2 1 363.505 3.409 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)CN(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)cs1 ZINC000123179672 495092842 /nfs/dbraw/zinc/09/28/42/495092842.db2.gz UQUASWAYLVHTEE-RDTXWAMCSA-N 2 1 372.538 3.472 20 0 FGADMP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)c1ccccc1 ZINC000577593024 505760592 /nfs/dbraw/zinc/76/05/92/505760592.db2.gz KHQUBDJUDZSWFP-RBUKOAKNSA-N 2 1 357.885 3.293 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134278598 495129110 /nfs/dbraw/zinc/12/91/10/495129110.db2.gz PMDKQCYMRIWJDD-FQEVSTJZSA-N 2 1 357.542 3.101 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000577605839 505763240 /nfs/dbraw/zinc/76/32/40/505763240.db2.gz XEPJFWLRGRINST-OXQOHEQNSA-N 2 1 358.530 3.303 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000128694723 495136638 /nfs/dbraw/zinc/13/66/38/495136638.db2.gz UGSRHLADJHLEPG-UYAOXDASSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000128720362 495140773 /nfs/dbraw/zinc/14/07/73/495140773.db2.gz IHUJFCVUXYSMFV-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1Cl ZINC000568749277 505769557 /nfs/dbraw/zinc/76/95/57/505769557.db2.gz HXCZRLIHWMLTAX-APWZRJJASA-N 2 1 361.917 3.157 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[nH+]c1 ZINC000119501531 495178530 /nfs/dbraw/zinc/17/85/30/495178530.db2.gz GKPBCIWLINYQHY-MSOLQXFVSA-N 2 1 373.545 3.144 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[nH+]c1 ZINC000119501531 495178535 /nfs/dbraw/zinc/17/85/35/495178535.db2.gz GKPBCIWLINYQHY-MSOLQXFVSA-N 2 1 373.545 3.144 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)c1nc2c(s1)CCC2 ZINC000134779180 495199937 /nfs/dbraw/zinc/19/99/37/495199937.db2.gz PPGDXOPDRTXVKW-OAHLLOKOSA-N 2 1 357.523 3.315 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000571590878 505767498 /nfs/dbraw/zinc/76/74/98/505767498.db2.gz CVIWOWHGNKHDEY-WFXMLNOXSA-N 2 1 355.526 3.085 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000119712970 495224962 /nfs/dbraw/zinc/22/49/62/495224962.db2.gz VWJBWIREGPUBCP-MRXNPFEDSA-N 2 1 354.498 3.217 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103511626 495245316 /nfs/dbraw/zinc/24/53/16/495245316.db2.gz XPGDPVVUJJXFRB-UHFFFAOYSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1Br ZINC000124368740 495276974 /nfs/dbraw/zinc/27/69/74/495276974.db2.gz QAIFMAUVURRKTR-HNNXBMFYSA-N 2 1 368.363 3.373 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000104392021 495282263 /nfs/dbraw/zinc/28/22/63/495282263.db2.gz UJMQXQRIGYOKBC-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000104392021 495282268 /nfs/dbraw/zinc/28/22/68/495282268.db2.gz UJMQXQRIGYOKBC-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000104392021 495282270 /nfs/dbraw/zinc/28/22/70/495282270.db2.gz UJMQXQRIGYOKBC-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000124457035 495291126 /nfs/dbraw/zinc/29/11/26/495291126.db2.gz MKMBGACINCMMLV-CYBMUJFWSA-N 2 1 354.376 3.251 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000120106837 495308260 /nfs/dbraw/zinc/30/82/60/495308260.db2.gz QHSHZYVNPRKMCE-FZWBFHRNSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120106837 495308262 /nfs/dbraw/zinc/30/82/62/495308262.db2.gz QHSHZYVNPRKMCE-FZWBFHRNSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000120106837 495308264 /nfs/dbraw/zinc/30/82/64/495308264.db2.gz QHSHZYVNPRKMCE-FZWBFHRNSA-N 2 1 364.574 3.257 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000105207421 495345730 /nfs/dbraw/zinc/34/57/30/495345730.db2.gz XPYGVBDQYSUKFV-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000136298123 495370265 /nfs/dbraw/zinc/37/02/65/495370265.db2.gz MQMZQTGKFQZIFP-FQEVSTJZSA-N 2 1 354.498 3.267 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000136298123 495370271 /nfs/dbraw/zinc/37/02/71/495370271.db2.gz MQMZQTGKFQZIFP-FQEVSTJZSA-N 2 1 354.498 3.267 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C(=O)N1CCCCC1)c1ccccc1 ZINC000136298123 495370277 /nfs/dbraw/zinc/37/02/77/495370277.db2.gz MQMZQTGKFQZIFP-FQEVSTJZSA-N 2 1 354.498 3.267 20 0 FGADMP CC(C)CC[C@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125031808 495380872 /nfs/dbraw/zinc/38/08/72/495380872.db2.gz POLKTEDAIJISEE-SFHVURJKSA-N 2 1 361.530 3.262 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000125097492 495390545 /nfs/dbraw/zinc/39/05/45/495390545.db2.gz NXEHSNNKFZLKHW-QUCCMNQESA-N 2 1 358.530 3.313 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000580534190 505780721 /nfs/dbraw/zinc/78/07/21/505780721.db2.gz CIMOYMWSWPNNFP-RTBURBONSA-N 2 1 359.445 3.199 20 0 FGADMP COc1ccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)cc1 ZINC000125419380 495441860 /nfs/dbraw/zinc/44/18/60/495441860.db2.gz BEVYJPVCZGMUAR-JOCHJYFZSA-N 2 1 372.484 3.164 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000130798260 495447579 /nfs/dbraw/zinc/44/75/79/495447579.db2.gz IGJAUNKAXLAZAN-OAQYLSRUSA-N 2 1 354.498 3.089 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1 ZINC000130798260 495447582 /nfs/dbraw/zinc/44/75/82/495447582.db2.gz IGJAUNKAXLAZAN-OAQYLSRUSA-N 2 1 354.498 3.089 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106388534 495450179 /nfs/dbraw/zinc/45/01/79/495450179.db2.gz LVBCPIQKTLLFEA-OAHLLOKOSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000106388534 495450185 /nfs/dbraw/zinc/45/01/85/495450185.db2.gz LVBCPIQKTLLFEA-OAHLLOKOSA-N 2 1 361.313 3.149 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656829 505783846 /nfs/dbraw/zinc/78/38/46/505783846.db2.gz KLSDZLNQRFASNN-DYESRHJHSA-N 2 1 368.525 3.259 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125607290 495470126 /nfs/dbraw/zinc/47/01/26/495470126.db2.gz YTVVCJHYUUFLIP-LSDHHAIUSA-N 2 1 356.507 3.002 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000125882916 495513399 /nfs/dbraw/zinc/51/33/99/495513399.db2.gz SZYKVTYWHKUQAT-DLBZAZTESA-N 2 1 367.559 3.219 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cc(C)c(C(C)=O)c3C)C2)CC1 ZINC000107370672 495526278 /nfs/dbraw/zinc/52/62/78/495526278.db2.gz OISWODJGVSJMNI-HXUWFJFHSA-N 2 1 357.542 3.026 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568705 505788002 /nfs/dbraw/zinc/78/80/02/505788002.db2.gz NYLOEDJPUIXBIA-MXNKGDRCSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580568705 505788005 /nfs/dbraw/zinc/78/80/05/505788005.db2.gz NYLOEDJPUIXBIA-MXNKGDRCSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580568705 505788007 /nfs/dbraw/zinc/78/80/07/505788007.db2.gz NYLOEDJPUIXBIA-MXNKGDRCSA-N 2 1 369.553 3.372 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000158657980 495560684 /nfs/dbraw/zinc/56/06/84/495560684.db2.gz NNTMVHRIGCZQOF-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP COc1cccc([C@@H](C)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000179422524 495585327 /nfs/dbraw/zinc/58/53/27/495585327.db2.gz IIMJWRQDJRQHHY-GOSISDBHSA-N 2 1 356.514 3.359 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297419 495585821 /nfs/dbraw/zinc/58/58/21/495585821.db2.gz ADIXXWAFYDHSKL-NRFANRHFSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297419 495585823 /nfs/dbraw/zinc/58/58/23/495585823.db2.gz ADIXXWAFYDHSKL-NRFANRHFSA-N 2 1 373.516 3.125 20 0 FGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182498625 495588009 /nfs/dbraw/zinc/58/80/09/495588009.db2.gz VXOKBOFXQUKFGA-NRFANRHFSA-N 2 1 369.557 3.059 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000577775863 505791021 /nfs/dbraw/zinc/79/10/21/505791021.db2.gz XNTBBHNBSCYUPP-SFTDATJTSA-N 2 1 357.542 3.057 20 0 FGADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000182534402 495602986 /nfs/dbraw/zinc/60/29/86/495602986.db2.gz VNSAYGRKLGAMBP-QGZVFWFLSA-N 2 1 366.571 3.364 20 0 FGADMP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182547293 495608435 /nfs/dbraw/zinc/60/84/35/495608435.db2.gz ZGTKOUDRMYGSKJ-SJORKVTESA-N 2 1 364.578 3.202 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N(C)Cc2c(F)cccc2Cl)CC1 ZINC000173618470 495616780 /nfs/dbraw/zinc/61/67/80/495616780.db2.gz WZFOFSFMOZQRQF-CQSZACIVSA-N 2 1 369.912 3.288 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)CC[C@@H]21 ZINC000158946822 495622339 /nfs/dbraw/zinc/62/23/39/495622339.db2.gz QSIKDCPIKALGNN-PBHICJAKSA-N 2 1 358.404 3.380 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000182582379 495624805 /nfs/dbraw/zinc/62/48/05/495624805.db2.gz LUFHOZFJNFCSDO-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000158977090 495628836 /nfs/dbraw/zinc/62/88/36/495628836.db2.gz SFUYDIKTOJSDKF-AEFFLSMTSA-N 2 1 356.457 3.422 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000173681611 495645948 /nfs/dbraw/zinc/64/59/48/495645948.db2.gz SPJOMVMBQOTPEC-QRQLOZEOSA-N 2 1 352.567 3.011 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000179587539 495650496 /nfs/dbraw/zinc/65/04/96/495650496.db2.gz BBIJFAACKAACLJ-PKOBYXMFSA-N 2 1 363.933 3.464 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672725 /nfs/dbraw/zinc/67/27/25/495672725.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672730 /nfs/dbraw/zinc/67/27/30/495672730.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159703 495672736 /nfs/dbraw/zinc/67/27/36/495672736.db2.gz DUXKXKSJFFIKIG-NXHRZFHOSA-N 2 1 356.432 3.025 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000185675926 495673405 /nfs/dbraw/zinc/67/34/05/495673405.db2.gz MQBRGXXWYSUJOX-DOADOZAASA-N 2 1 357.542 3.495 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000185675926 495673411 /nfs/dbraw/zinc/67/34/11/495673411.db2.gz MQBRGXXWYSUJOX-DOADOZAASA-N 2 1 357.542 3.495 20 0 FGADMP CC[C@H]1[C@H](C)CC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000185674082 495674422 /nfs/dbraw/zinc/67/44/22/495674422.db2.gz NHUFSAYUFYLADB-NQIIRXRSSA-N 2 1 357.542 3.196 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679706 495677265 /nfs/dbraw/zinc/67/72/65/495677265.db2.gz AKMBDHNDHKRSMA-DLBZAZTESA-N 2 1 359.514 3.185 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679706 495677271 /nfs/dbraw/zinc/67/72/71/495677271.db2.gz AKMBDHNDHKRSMA-DLBZAZTESA-N 2 1 359.514 3.185 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000179654494 495678897 /nfs/dbraw/zinc/67/88/97/495678897.db2.gz LUJCDYWDAPXARD-QZTJIDSGSA-N 2 1 368.525 3.398 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@@H](C)O1 ZINC000179654494 495678900 /nfs/dbraw/zinc/67/89/00/495678900.db2.gz LUJCDYWDAPXARD-QZTJIDSGSA-N 2 1 368.525 3.398 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000171013881 495689764 /nfs/dbraw/zinc/68/97/64/495689764.db2.gz SARQPVAZVXOBNM-OAQYLSRUSA-N 2 1 353.510 3.400 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](C)C2)CC1 ZINC000179687005 495690776 /nfs/dbraw/zinc/69/07/76/495690776.db2.gz ISBKHUHWDWPVJO-IEBWSBKVSA-N 2 1 357.542 3.054 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccccc1F ZINC000185738809 495704571 /nfs/dbraw/zinc/70/45/71/495704571.db2.gz QSSDGJXMXBMKHR-XYJFISCASA-N 2 1 361.505 3.073 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccccc1F ZINC000185738809 495704577 /nfs/dbraw/zinc/70/45/77/495704577.db2.gz QSSDGJXMXBMKHR-XYJFISCASA-N 2 1 361.505 3.073 20 0 FGADMP COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755520 495712812 /nfs/dbraw/zinc/71/28/12/495712812.db2.gz MXLINANZBFGRMP-DLBZAZTESA-N 2 1 359.514 3.266 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763150 495716229 /nfs/dbraw/zinc/71/62/29/495716229.db2.gz VUNNOWNNYDJCKI-FUHIMQAGSA-N 2 1 357.498 3.254 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096141 495736765 /nfs/dbraw/zinc/73/67/65/495736765.db2.gz BZZWEQSMSGWWDU-WMZOPIPTSA-N 2 1 365.949 3.399 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182874806 495738093 /nfs/dbraw/zinc/73/80/93/495738093.db2.gz GPGGGJMGDATCJS-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000574565644 505803143 /nfs/dbraw/zinc/80/31/43/505803143.db2.gz ZGTZFNTWSQSKRW-VQIMIIECSA-N 2 1 353.466 3.010 20 0 FGADMP C[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000568898745 505803388 /nfs/dbraw/zinc/80/33/88/505803388.db2.gz IBJFAAMRFUZFJR-AWEZNQCLSA-N 2 1 365.905 3.093 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000568898745 505803393 /nfs/dbraw/zinc/80/33/93/505803393.db2.gz IBJFAAMRFUZFJR-AWEZNQCLSA-N 2 1 365.905 3.093 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155171987 495860601 /nfs/dbraw/zinc/86/06/01/495860601.db2.gz SBCCJXCJQUOZJP-SFHVURJKSA-N 2 1 368.525 3.112 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180106957 495861426 /nfs/dbraw/zinc/86/14/26/495861426.db2.gz NTWYLAXLAOPVTC-FRIKZZABSA-N 2 1 369.553 3.419 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000180112622 495863356 /nfs/dbraw/zinc/86/33/56/495863356.db2.gz RLFAQAZIBYGAQC-LBFURVHYSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000180112622 495863361 /nfs/dbraw/zinc/86/33/61/495863361.db2.gz RLFAQAZIBYGAQC-LBFURVHYSA-N 2 1 355.526 3.173 20 0 FGADMP CC[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568937008 505812162 /nfs/dbraw/zinc/81/21/62/505812162.db2.gz POWRCPNSWVKBTC-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c[nH]nc2-c2ccccc2F)C[C@H](C)O1 ZINC000151780286 495945061 /nfs/dbraw/zinc/94/50/61/495945061.db2.gz LUUHUOBMQSSUSZ-IYBDPMFKSA-N 2 1 360.477 3.195 20 0 FGADMP Cc1cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000180430671 495993985 /nfs/dbraw/zinc/99/39/85/495993985.db2.gz SSTWPRONSPLRHR-UHFFFAOYSA-N 2 1 363.933 3.025 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)cc1 ZINC000177298314 496010407 /nfs/dbraw/zinc/01/04/07/496010407.db2.gz YLJUUSPNFXFZFE-HNNXBMFYSA-N 2 1 368.363 3.373 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000152243149 496092450 /nfs/dbraw/zinc/09/24/50/496092450.db2.gz PHPLBYHUZRWRIN-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(C[NH+](C)C)c2)cc1F ZINC000155948021 496116064 /nfs/dbraw/zinc/11/60/64/496116064.db2.gz HKWCPYUIKGCPHS-UHFFFAOYSA-N 2 1 366.440 3.311 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152392984 496136054 /nfs/dbraw/zinc/13/60/54/496136054.db2.gz FWFJOUMZIGYEFU-IPMKNSEASA-N 2 1 371.569 3.405 20 0 FGADMP C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840956 505825375 /nfs/dbraw/zinc/82/53/75/505825375.db2.gz BKJLLCMYNFNYRO-GWZYHKFFSA-N 2 1 373.585 3.314 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840956 505825379 /nfs/dbraw/zinc/82/53/79/505825379.db2.gz BKJLLCMYNFNYRO-GWZYHKFFSA-N 2 1 373.585 3.314 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840956 505825382 /nfs/dbraw/zinc/82/53/82/505825382.db2.gz BKJLLCMYNFNYRO-GWZYHKFFSA-N 2 1 373.585 3.314 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000152518209 496175314 /nfs/dbraw/zinc/17/53/14/496175314.db2.gz SIJUPGRTGLNWNA-URVUXULASA-N 2 1 359.558 3.240 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000177841799 496218847 /nfs/dbraw/zinc/21/88/47/496218847.db2.gz OJBLLMXVFMBIDO-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP Cc1c(Br)cccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180956963 496218946 /nfs/dbraw/zinc/21/89/46/496218946.db2.gz HMLQQGAWWBPDHU-UHFFFAOYSA-N 2 1 368.363 3.215 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000175063489 496233401 /nfs/dbraw/zinc/23/34/01/496233401.db2.gz ZBZJECIIOVORHD-IBGZPJMESA-N 2 1 363.550 3.027 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)ccc23)[C@H](C)C1 ZINC000187011198 496251276 /nfs/dbraw/zinc/25/12/76/496251276.db2.gz YKQHWLJTOXRCIN-XLIONFOSSA-N 2 1 372.509 3.328 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(=O)oc3cc(C)ccc23)[C@H](C)C1 ZINC000187011198 496251282 /nfs/dbraw/zinc/25/12/82/496251282.db2.gz YKQHWLJTOXRCIN-XLIONFOSSA-N 2 1 372.509 3.328 20 0 FGADMP COc1cc(NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc(OC)c1 ZINC000161906854 496260888 /nfs/dbraw/zinc/26/08/88/496260888.db2.gz ISGBBIAEUZFTTE-UHFFFAOYSA-N 2 1 361.530 3.456 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000181128379 496280307 /nfs/dbraw/zinc/28/03/07/496280307.db2.gz RJJSHOIPWMYUHB-ZYHUDNBSSA-N 2 1 351.800 3.205 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000181128379 496280308 /nfs/dbraw/zinc/28/03/08/496280308.db2.gz RJJSHOIPWMYUHB-ZYHUDNBSSA-N 2 1 351.800 3.205 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](C2CCCC2)CC1 ZINC000172418015 496289175 /nfs/dbraw/zinc/28/91/75/496289175.db2.gz RLZQDMZONDAMCR-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000172418015 496289179 /nfs/dbraw/zinc/28/91/79/496289179.db2.gz RLZQDMZONDAMCR-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172418015 496289183 /nfs/dbraw/zinc/28/91/83/496289183.db2.gz RLZQDMZONDAMCR-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178075591 496317890 /nfs/dbraw/zinc/31/78/90/496317890.db2.gz QOWMSJDRMPUPQJ-PKOBYXMFSA-N 2 1 359.514 3.187 20 0 FGADMP CC[C@H](C)NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000172623569 496366979 /nfs/dbraw/zinc/36/69/79/496366979.db2.gz PFKJMTWISFEFOO-IRXDYDNUSA-N 2 1 360.546 3.180 20 0 FGADMP C[C@H]1C[C@H](N(C)CC(=O)NCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000156983458 496378801 /nfs/dbraw/zinc/37/88/01/496378801.db2.gz XSYVELWRNNKAKC-PKOBYXMFSA-N 2 1 371.550 3.349 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000187293325 496380616 /nfs/dbraw/zinc/38/06/16/496380616.db2.gz ZYQMVDIBXFHGFM-MRXNPFEDSA-N 2 1 369.513 3.367 20 0 FGADMP C[C@H](CC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[NH+]1CCCCC1 ZINC000184502615 496414317 /nfs/dbraw/zinc/41/43/17/496414317.db2.gz BUMUHPRBYZHBEL-HUUCEWRRSA-N 2 1 356.507 3.144 20 0 FGADMP CN(C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1)[C@@H]1CCC[N@@H+](C)C1 ZINC000172749547 496414720 /nfs/dbraw/zinc/41/47/20/496414720.db2.gz MLVBDLNIHYSUML-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1)[C@@H]1CCC[NH+](C)C1 ZINC000172749547 496414723 /nfs/dbraw/zinc/41/47/23/496414723.db2.gz MLVBDLNIHYSUML-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H]1CCC[NH+](C)C1 ZINC000172749547 496414729 /nfs/dbraw/zinc/41/47/29/496414729.db2.gz MLVBDLNIHYSUML-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)CCO2 ZINC000178375588 496432357 /nfs/dbraw/zinc/43/23/57/496432357.db2.gz URXCJUKIUSXKEK-QGZVFWFLSA-N 2 1 352.478 3.305 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184556037 496437371 /nfs/dbraw/zinc/43/73/71/496437371.db2.gz RGZBTMFHGVBJLW-OAQYLSRUSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175637628 496476818 /nfs/dbraw/zinc/47/68/18/496476818.db2.gz PBORMXBOQZPXAS-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CCNC(=O)N1CCC(CC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175647267 496482945 /nfs/dbraw/zinc/48/29/45/496482945.db2.gz IKRCVFVPLXRAOP-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)[NH+]1CCCC1 ZINC000157521762 496495546 /nfs/dbraw/zinc/49/55/46/496495546.db2.gz VVGXOVRNMYRPLJ-LPHOPBHVSA-N 2 1 363.550 3.027 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750336 505847827 /nfs/dbraw/zinc/84/78/27/505847827.db2.gz OXUKERNCBWLJPD-UEXGIBASSA-N 2 1 374.550 3.469 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750336 505847829 /nfs/dbraw/zinc/84/78/29/505847829.db2.gz OXUKERNCBWLJPD-UEXGIBASSA-N 2 1 374.550 3.469 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000181740756 496524519 /nfs/dbraw/zinc/52/45/19/496524519.db2.gz SZVGLMKRWQCPLR-RTBURBONSA-N 2 1 361.530 3.441 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000578049800 505849367 /nfs/dbraw/zinc/84/93/67/505849367.db2.gz DNQRHERFAYSNTB-AWEZNQCLSA-N 2 1 354.336 3.126 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178642810 496526663 /nfs/dbraw/zinc/52/66/63/496526663.db2.gz GNSSHKRLNBSDGV-HMXCVIKNSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178642810 496526668 /nfs/dbraw/zinc/52/66/68/496526668.db2.gz GNSSHKRLNBSDGV-HMXCVIKNSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178642810 496526673 /nfs/dbraw/zinc/52/66/73/496526673.db2.gz GNSSHKRLNBSDGV-HMXCVIKNSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178642810 496526678 /nfs/dbraw/zinc/52/66/78/496526678.db2.gz GNSSHKRLNBSDGV-HMXCVIKNSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2cccs2)cc1 ZINC000178668298 496534036 /nfs/dbraw/zinc/53/40/36/496534036.db2.gz YOXKMEICHJMYIC-MRXNPFEDSA-N 2 1 357.523 3.230 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C)C1 ZINC000178688893 496541848 /nfs/dbraw/zinc/54/18/48/496541848.db2.gz YNLMKFFXGKSTJT-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C12CCCC2 ZINC000181947820 496609215 /nfs/dbraw/zinc/60/92/15/496609215.db2.gz AHRSCKXYXKANKT-MOPGFXCFSA-N 2 1 350.547 3.349 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158110135 496629426 /nfs/dbraw/zinc/62/94/26/496629426.db2.gz SUCZGGPPRIMPOF-KBPBESRZSA-N 2 1 357.420 3.354 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](C(C)(C)C)C3)CC2)CC1 ZINC000569116536 505857317 /nfs/dbraw/zinc/85/73/17/505857317.db2.gz FYBVFCGIRHSOKF-IBGZPJMESA-N 2 1 363.590 3.467 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH+](C)C3CC3)cc2)C1 ZINC000185125328 496671811 /nfs/dbraw/zinc/67/18/11/496671811.db2.gz BUSGOBADEISDLW-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[N@H+](C)C3CC3)cc2)C1 ZINC000185125328 496671815 /nfs/dbraw/zinc/67/18/15/496671815.db2.gz BUSGOBADEISDLW-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)CC[N@@H+](C)C3CC3)cc2)C1 ZINC000185125328 496671820 /nfs/dbraw/zinc/67/18/20/496671820.db2.gz BUSGOBADEISDLW-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000166001326 496675216 /nfs/dbraw/zinc/67/52/16/496675216.db2.gz IEAKPUYBNOTRKI-OAQYLSRUSA-N 2 1 351.494 3.030 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000176100989 496683594 /nfs/dbraw/zinc/68/35/94/496683594.db2.gz YURUXXHLPVLDOG-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CCC[NH2+]C1 ZINC000166690168 496690679 /nfs/dbraw/zinc/69/06/79/496690679.db2.gz YSAWDRCLXLOQGK-IRXDYDNUSA-N 2 1 361.555 3.200 20 0 FGADMP CC1(C)CC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000176124278 496693654 /nfs/dbraw/zinc/69/36/54/496693654.db2.gz LNNNCNYHNUPPLM-GOSISDBHSA-N 2 1 361.505 3.216 20 0 FGADMP CC1(C)CC(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC(C)(C)[NH2+]1 ZINC000176124278 496693662 /nfs/dbraw/zinc/69/36/62/496693662.db2.gz LNNNCNYHNUPPLM-GOSISDBHSA-N 2 1 361.505 3.216 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]c(C)cc2c1 ZINC000176139967 496700658 /nfs/dbraw/zinc/70/06/58/496700658.db2.gz PWIINVZTKPXCMX-IBGZPJMESA-N 2 1 371.529 3.356 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000182248893 496719802 /nfs/dbraw/zinc/71/98/02/496719802.db2.gz USIUJNQYVQCUAA-DYESRHJHSA-N 2 1 356.514 3.272 20 0 FGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182257530 496721626 /nfs/dbraw/zinc/72/16/26/496721626.db2.gz MKSAHVGGHYTLSY-XLIONFOSSA-N 2 1 354.494 3.421 20 0 FGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182267836 496723652 /nfs/dbraw/zinc/72/36/52/496723652.db2.gz WDEJDLNZLODMRA-ZHRRBRCNSA-N 2 1 367.493 3.062 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000246974011 496740076 /nfs/dbraw/zinc/74/00/76/496740076.db2.gz JGZRJZKZGWXTPN-YDHLFZDLSA-N 2 1 361.313 3.053 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000246989878 496744871 /nfs/dbraw/zinc/74/48/71/496744871.db2.gz OAWBYIOBMRLNBC-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000246989878 496744874 /nfs/dbraw/zinc/74/48/74/496744874.db2.gz OAWBYIOBMRLNBC-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000246989878 496744880 /nfs/dbraw/zinc/74/48/80/496744880.db2.gz OAWBYIOBMRLNBC-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cnn1C(C)(C)C ZINC000191383620 496745102 /nfs/dbraw/zinc/74/51/02/496745102.db2.gz AOYVFCTUUPGYEF-BEVDRBHNSA-N 2 1 362.562 3.365 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246991902 496745774 /nfs/dbraw/zinc/74/57/74/496745774.db2.gz PHUIPEOOYXREOS-SFTDATJTSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246991902 496745778 /nfs/dbraw/zinc/74/57/78/496745778.db2.gz PHUIPEOOYXREOS-SFTDATJTSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246991902 496745783 /nfs/dbraw/zinc/74/57/83/496745783.db2.gz PHUIPEOOYXREOS-SFTDATJTSA-N 2 1 372.557 3.153 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H](O)COCc2cccs2)C1 ZINC000246993868 496745960 /nfs/dbraw/zinc/74/59/60/496745960.db2.gz OJWXLTDPNLAXIS-QYZOEREBSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000246993868 496745963 /nfs/dbraw/zinc/74/59/63/496745963.db2.gz OJWXLTDPNLAXIS-QYZOEREBSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000246993868 496745969 /nfs/dbraw/zinc/74/59/69/496745969.db2.gz OJWXLTDPNLAXIS-QYZOEREBSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000246993868 496745973 /nfs/dbraw/zinc/74/59/73/496745973.db2.gz OJWXLTDPNLAXIS-QYZOEREBSA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000246993868 496745977 /nfs/dbraw/zinc/74/59/77/496745977.db2.gz OJWXLTDPNLAXIS-QYZOEREBSA-N 2 1 366.571 3.212 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000273241818 496749862 /nfs/dbraw/zinc/74/98/62/496749862.db2.gz QIAOVNMWZWCOLE-CVEARBPZSA-N 2 1 351.560 3.243 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000268740167 496770487 /nfs/dbraw/zinc/77/04/87/496770487.db2.gz PKAVNCKYKXSCLT-OAQYLSRUSA-N 2 1 352.478 3.305 20 0 FGADMP COc1cc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)ccc1SC ZINC000191465461 496772476 /nfs/dbraw/zinc/77/24/76/496772476.db2.gz KCQYAGWECDTFJP-UHFFFAOYSA-N 2 1 365.587 3.265 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(=O)oc2cc([O-])ccc12 ZINC000191472884 496774511 /nfs/dbraw/zinc/77/45/11/496774511.db2.gz IXZOPRKIIFNCTN-UHFFFAOYSA-N 2 1 355.438 3.170 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492062 496781985 /nfs/dbraw/zinc/78/19/85/496781985.db2.gz ORNKXXLYYYCMJW-UZLBHIALSA-N 2 1 356.514 3.190 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000247112558 496783148 /nfs/dbraw/zinc/78/31/48/496783148.db2.gz YMHGHIUIAAFTKL-IEBWSBKVSA-N 2 1 357.542 3.196 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000191502041 496785358 /nfs/dbraw/zinc/78/53/58/496785358.db2.gz YRDLXJNRGJGRDA-GOSISDBHSA-N 2 1 356.514 3.171 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(C)cc1 ZINC000191502041 496785363 /nfs/dbraw/zinc/78/53/63/496785363.db2.gz YRDLXJNRGJGRDA-GOSISDBHSA-N 2 1 356.514 3.171 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000191500024 496786317 /nfs/dbraw/zinc/78/63/17/496786317.db2.gz VNSZPFLBDHXLQQ-UHFFFAOYSA-N 2 1 362.562 3.442 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000191500024 496786320 /nfs/dbraw/zinc/78/63/20/496786320.db2.gz VNSZPFLBDHXLQQ-UHFFFAOYSA-N 2 1 362.562 3.442 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803197 496790867 /nfs/dbraw/zinc/79/08/67/496790867.db2.gz BNPLESYZBTWZEM-KBPBESRZSA-N 2 1 360.470 3.065 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803197 496790873 /nfs/dbraw/zinc/79/08/73/496790873.db2.gz BNPLESYZBTWZEM-KBPBESRZSA-N 2 1 360.470 3.065 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843049 496801833 /nfs/dbraw/zinc/80/18/33/496801833.db2.gz BAKBMVVAZYJMID-UCNVEGJOSA-N 2 1 354.494 3.371 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843049 496801835 /nfs/dbraw/zinc/80/18/35/496801835.db2.gz BAKBMVVAZYJMID-UCNVEGJOSA-N 2 1 354.494 3.371 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853294 496804237 /nfs/dbraw/zinc/80/42/37/496804237.db2.gz GIDHNKOHWDABMV-HUUCEWRRSA-N 2 1 374.497 3.454 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853294 496804243 /nfs/dbraw/zinc/80/42/43/496804243.db2.gz GIDHNKOHWDABMV-HUUCEWRRSA-N 2 1 374.497 3.454 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1OC(F)F ZINC000268856063 496805398 /nfs/dbraw/zinc/80/53/98/496805398.db2.gz CWSKMYZFACVYML-ZBFHGGJFSA-N 2 1 372.456 3.184 20 0 FGADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1OCC(=O)N(C)C ZINC000268856815 496805822 /nfs/dbraw/zinc/80/58/22/496805822.db2.gz ISBSLDAPTJPBGH-APWZRJJASA-N 2 1 372.513 3.036 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000268866653 496809195 /nfs/dbraw/zinc/80/91/95/496809195.db2.gz NZXGLZAVDPTSMU-MRXNPFEDSA-N 2 1 353.470 3.186 20 0 FGADMP Cc1noc(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894736 496817816 /nfs/dbraw/zinc/81/78/16/496817816.db2.gz NWZOTWOZSZFCNS-VQTJNVASSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894736 496817818 /nfs/dbraw/zinc/81/78/18/496817818.db2.gz NWZOTWOZSZFCNS-VQTJNVASSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000268894736 496817821 /nfs/dbraw/zinc/81/78/21/496817821.db2.gz NWZOTWOZSZFCNS-VQTJNVASSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000268894736 496817824 /nfs/dbraw/zinc/81/78/24/496817824.db2.gz NWZOTWOZSZFCNS-VQTJNVASSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268908501 496820637 /nfs/dbraw/zinc/82/06/37/496820637.db2.gz YINRKWROWQXHLZ-OAHLLOKOSA-N 2 1 362.905 3.262 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358879 496844441 /nfs/dbraw/zinc/84/44/41/496844441.db2.gz QEELZBBKESWTFJ-VCOUNFBDSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358879 496844443 /nfs/dbraw/zinc/84/44/43/496844443.db2.gz QEELZBBKESWTFJ-VCOUNFBDSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358879 496844445 /nfs/dbraw/zinc/84/44/45/496844445.db2.gz QEELZBBKESWTFJ-VCOUNFBDSA-N 2 1 360.542 3.105 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247415911 496854480 /nfs/dbraw/zinc/85/44/80/496854480.db2.gz UAHNBQHJBSNBDZ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000247429524 496856673 /nfs/dbraw/zinc/85/66/73/496856673.db2.gz LVBLBXSCXNBLMU-HNAYVOBHSA-N 2 1 364.917 3.472 20 0 FGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000247429524 496856677 /nfs/dbraw/zinc/85/66/77/496856677.db2.gz LVBLBXSCXNBLMU-HNAYVOBHSA-N 2 1 364.917 3.472 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000247491381 496871480 /nfs/dbraw/zinc/87/14/80/496871480.db2.gz KZASVHWUGLJGDY-PKOBYXMFSA-N 2 1 357.542 3.196 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000191810648 496897279 /nfs/dbraw/zinc/89/72/79/496897279.db2.gz VMLNOTLYAPNCFV-UHFFFAOYSA-N 2 1 367.921 3.428 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247960502 496933503 /nfs/dbraw/zinc/93/35/03/496933503.db2.gz GDOOZTSYRQKHEX-FMKPAKJESA-N 2 1 367.440 3.031 20 0 FGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000248040032 496945914 /nfs/dbraw/zinc/94/59/14/496945914.db2.gz SMLKGKFZYLOLQR-NFBKMPQASA-N 2 1 366.553 3.404 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)[C@H](C)C1 ZINC000248184680 496970723 /nfs/dbraw/zinc/97/07/23/496970723.db2.gz XBOBAKABPFSLPY-VYDXJSESSA-N 2 1 366.347 3.348 20 0 FGADMP C[C@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248199146 496972170 /nfs/dbraw/zinc/97/21/70/496972170.db2.gz YBFZWQPYUDGUIM-YLJYHZDGSA-N 2 1 369.509 3.088 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)NCc1cccs1 ZINC000248398401 496996297 /nfs/dbraw/zinc/99/62/97/496996297.db2.gz NIJSCPFEHDCYJR-LFUKPOHLSA-N 2 1 371.550 3.111 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1cccs1 ZINC000248398401 496996302 /nfs/dbraw/zinc/99/63/02/496996302.db2.gz NIJSCPFEHDCYJR-LFUKPOHLSA-N 2 1 371.550 3.111 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000248402665 496996976 /nfs/dbraw/zinc/99/69/76/496996976.db2.gz VSWJQGFSIJAXTN-XZYOPWHXSA-N 2 1 368.521 3.173 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408712 496999094 /nfs/dbraw/zinc/99/90/94/496999094.db2.gz VTWQACFITYZNRJ-ILXRZTDVSA-N 2 1 369.351 3.277 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248410508 497001407 /nfs/dbraw/zinc/00/14/07/497001407.db2.gz XZVGXXMNMQEQLW-BXXSPATCSA-N 3 1 373.585 3.234 20 0 FGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccco1 ZINC000248412954 497002805 /nfs/dbraw/zinc/00/28/05/497002805.db2.gz KLENGEUVPGBRHN-XRXFAXGQSA-N 2 1 353.510 3.383 20 0 FGADMP c1c[nH]c([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccncc2)n1 ZINC000189084171 497003001 /nfs/dbraw/zinc/00/30/01/497003001.db2.gz CYUQJXGHRKGQHP-OAQYLSRUSA-N 2 1 361.493 3.396 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000248488541 497025397 /nfs/dbraw/zinc/02/53/97/497025397.db2.gz MKTILWYURQBUKH-QZTJIDSGSA-N 2 1 362.514 3.257 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000248488541 497025400 /nfs/dbraw/zinc/02/54/00/497025400.db2.gz MKTILWYURQBUKH-QZTJIDSGSA-N 2 1 362.514 3.257 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000274232905 497046783 /nfs/dbraw/zinc/04/67/83/497046783.db2.gz VIKMXVVBSFSYSE-XMSQKQJNSA-N 2 1 374.488 3.182 20 0 FGADMP CCn1nc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c2ccccc21 ZINC000274397676 497089208 /nfs/dbraw/zinc/08/92/08/497089208.db2.gz FBHXGWJBUCHJMG-UHFFFAOYSA-N 2 1 352.482 3.286 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000569231014 505884810 /nfs/dbraw/zinc/88/48/10/505884810.db2.gz ZUPNWPXKJQJXLP-GHTZIAJQSA-N 2 1 372.557 3.058 20 0 FGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000234369362 497112066 /nfs/dbraw/zinc/11/20/66/497112066.db2.gz XYZGUKQXGIFTAE-UHFFFAOYSA-N 2 1 350.098 3.253 20 0 FGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000234369362 497112069 /nfs/dbraw/zinc/11/20/69/497112069.db2.gz XYZGUKQXGIFTAE-UHFFFAOYSA-N 2 1 350.098 3.253 20 0 FGADMP CC(C)(CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236650279 497126446 /nfs/dbraw/zinc/12/64/46/497126446.db2.gz BOHYBWNPRSJAEJ-NRFANRHFSA-N 2 1 365.521 3.420 20 0 FGADMP CC(C)(C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000236686237 497131689 /nfs/dbraw/zinc/13/16/89/497131689.db2.gz VULPQWJDGCABFP-MRXNPFEDSA-N 2 1 371.447 3.159 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236681833 497132128 /nfs/dbraw/zinc/13/21/28/497132128.db2.gz RLOASTBZRFSCAT-FGZHOGPDSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502253 497136110 /nfs/dbraw/zinc/13/61/10/497136110.db2.gz LRLGRLOHZVFDGW-RTBURBONSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502253 497136116 /nfs/dbraw/zinc/13/61/16/497136116.db2.gz LRLGRLOHZVFDGW-RTBURBONSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502253 497136120 /nfs/dbraw/zinc/13/61/20/497136120.db2.gz LRLGRLOHZVFDGW-RTBURBONSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000192528690 497141236 /nfs/dbraw/zinc/14/12/36/497141236.db2.gz DJRUDMLDWULRNM-UCNVEGJOSA-N 2 1 351.494 3.030 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000236895423 497165064 /nfs/dbraw/zinc/16/50/64/497165064.db2.gz JRKPMAMXBSMTOU-IRLDBZIGSA-N 2 1 365.521 3.100 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1F ZINC000278612408 497167431 /nfs/dbraw/zinc/16/74/31/497167431.db2.gz DALPGHXBJCBSNW-HXUWFJFHSA-N 2 1 372.484 3.471 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000192638045 497172277 /nfs/dbraw/zinc/17/22/77/497172277.db2.gz GDNRHGVDMUHTOU-FRIKZZABSA-N 3 1 370.585 3.112 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)c1 ZINC000192638045 497172279 /nfs/dbraw/zinc/17/22/79/497172279.db2.gz GDNRHGVDMUHTOU-FRIKZZABSA-N 2 1 370.585 3.112 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCCOc2ccc(Cl)cc2)CC1 ZINC000192723973 497195759 /nfs/dbraw/zinc/19/57/59/497195759.db2.gz VXUOUOWOPPRDJK-UHFFFAOYSA-N 2 1 367.965 3.457 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C)CO[C@H](c3ccccc3)[C@@H]2C)CC1 ZINC000192738702 497200419 /nfs/dbraw/zinc/20/04/19/497200419.db2.gz OMUZSQKTERXZIM-URVUXULASA-N 2 1 359.558 3.253 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000278741884 497205689 /nfs/dbraw/zinc/20/56/89/497205689.db2.gz MNKUZULOZGIQOW-LJQANCHMSA-N 2 1 358.457 3.081 20 0 FGADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237398440 497230985 /nfs/dbraw/zinc/23/09/85/497230985.db2.gz TVEAYVFCEFSYAY-QAPCUYQASA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237398440 497230989 /nfs/dbraw/zinc/23/09/89/497230989.db2.gz TVEAYVFCEFSYAY-QAPCUYQASA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000266020096 497233946 /nfs/dbraw/zinc/23/39/46/497233946.db2.gz RECVZVQPJSNREO-ULQDDVLXSA-N 2 1 357.498 3.272 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)CCC1CC[NH2+]CC1 ZINC000237512642 497249193 /nfs/dbraw/zinc/24/91/93/497249193.db2.gz KCMRRUKLJLUGIA-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000192934413 497250877 /nfs/dbraw/zinc/25/08/77/497250877.db2.gz WZNUBUJMYLKXBI-OAQYLSRUSA-N 2 1 365.521 3.135 20 0 FGADMP CC(C)(C)C(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192932951 497251115 /nfs/dbraw/zinc/25/11/15/497251115.db2.gz ZRUXUNMVOKRYIA-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000275229631 497260623 /nfs/dbraw/zinc/26/06/23/497260623.db2.gz JGEAGJZDMFYEKC-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000237621153 497264308 /nfs/dbraw/zinc/26/43/08/497264308.db2.gz PNHLBPYLDCTGST-JLTOFOAXSA-N 2 1 366.440 3.272 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237627245 497265566 /nfs/dbraw/zinc/26/55/66/497265566.db2.gz SBVHTMNYGVZSEM-OAQYLSRUSA-N 2 1 351.494 3.119 20 0 FGADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)CCCC1 ZINC000237907592 497311862 /nfs/dbraw/zinc/31/18/62/497311862.db2.gz NILHQYACOASEGO-UHFFFAOYSA-N 2 1 369.431 3.058 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000237910454 497312891 /nfs/dbraw/zinc/31/28/91/497312891.db2.gz RVJGHGXITILJGS-RBUKOAKNSA-N 2 1 369.534 3.106 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000237910454 497312895 /nfs/dbraw/zinc/31/28/95/497312895.db2.gz RVJGHGXITILJGS-RBUKOAKNSA-N 2 1 369.534 3.106 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000279212708 497369740 /nfs/dbraw/zinc/36/97/40/497369740.db2.gz YIBFROMDEBBCAO-OXJNMPFZSA-N 2 1 352.482 3.040 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000255839618 497375925 /nfs/dbraw/zinc/37/59/25/497375925.db2.gz AXENATINCZPQNG-CTNGQTDRSA-N 2 1 374.573 3.113 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202827 497376883 /nfs/dbraw/zinc/37/68/83/497376883.db2.gz WEKIVBSDYSCBAC-IXDOHACOSA-N 2 1 361.505 3.168 20 0 FGADMP O=C(Nc1ccc(Cl)cn1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193474638 497390184 /nfs/dbraw/zinc/39/01/84/497390184.db2.gz FTQSFCVVYUNHHK-UHFFFAOYSA-N 2 1 364.921 3.262 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421467 497396986 /nfs/dbraw/zinc/39/69/86/497396986.db2.gz NUJZEFVBCXWJMA-FPOVZHCZSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245421467 497396988 /nfs/dbraw/zinc/39/69/88/497396988.db2.gz NUJZEFVBCXWJMA-FPOVZHCZSA-N 2 1 373.516 3.125 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245439031 497406035 /nfs/dbraw/zinc/40/60/35/497406035.db2.gz SMPNXZSLEAKSQP-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245439031 497406039 /nfs/dbraw/zinc/40/60/39/497406039.db2.gz SMPNXZSLEAKSQP-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245439031 497406042 /nfs/dbraw/zinc/40/60/42/497406042.db2.gz SMPNXZSLEAKSQP-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261561291 497415874 /nfs/dbraw/zinc/41/58/74/497415874.db2.gz RLGVHIYXIWBGPU-YYWHXJBOSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814953 497437839 /nfs/dbraw/zinc/43/78/39/497437839.db2.gz CZBTZUGGGYZAAZ-QUCCMNQESA-N 2 1 367.541 3.187 20 0 FGADMP C[NH+](Cc1cccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1)[C@H]1CC[C@H](O)CC1 ZINC000275811491 497438369 /nfs/dbraw/zinc/43/83/69/497438369.db2.gz IDJDSKUMNHBQRL-CHDDOINTSA-N 2 1 360.542 3.157 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261784980 497450901 /nfs/dbraw/zinc/45/09/01/497450901.db2.gz YGDVHHNEQAOGSK-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261784980 497450906 /nfs/dbraw/zinc/45/09/06/497450906.db2.gz YGDVHHNEQAOGSK-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279507492 497457318 /nfs/dbraw/zinc/45/73/18/497457318.db2.gz WVMAFJZRGRCDPR-UHFFFAOYSA-N 2 1 362.481 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000245590046 497467600 /nfs/dbraw/zinc/46/76/00/497467600.db2.gz AXPLSDPLZIVPIS-OPYAIIAOSA-N 2 1 372.557 3.336 20 0 FGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000190426760 497474915 /nfs/dbraw/zinc/47/49/15/497474915.db2.gz QAOZMJFWGJJUHZ-SFTDATJTSA-N 2 1 369.553 3.231 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000245641906 497484261 /nfs/dbraw/zinc/48/42/61/497484261.db2.gz XTSJLGMJHIWRGA-YSFYHYPLSA-N 2 1 354.538 3.488 20 0 FGADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671742 497494649 /nfs/dbraw/zinc/49/46/49/497494649.db2.gz HLPWQAVQHNQLMJ-BJESRGMDSA-N 2 1 350.506 3.375 20 0 FGADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671749 497495680 /nfs/dbraw/zinc/49/56/80/497495680.db2.gz HLPWQAVQHNQLMJ-GPJHCHHRSA-N 2 1 350.506 3.375 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262133716 497513042 /nfs/dbraw/zinc/51/30/42/497513042.db2.gz NIFPJJNSWDWYIC-NQIIRXRSSA-N 2 1 371.550 3.481 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262133716 497513047 /nfs/dbraw/zinc/51/30/47/497513047.db2.gz NIFPJJNSWDWYIC-NQIIRXRSSA-N 2 1 371.550 3.481 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245739246 497522645 /nfs/dbraw/zinc/52/26/45/497522645.db2.gz XAKOLSHWILWXEJ-CABCVRRESA-N 2 1 362.905 3.433 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1 ZINC000245739246 497522656 /nfs/dbraw/zinc/52/26/56/497522656.db2.gz XAKOLSHWILWXEJ-CABCVRRESA-N 2 1 362.905 3.433 20 0 FGADMP CC1CCC(N(C(=O)C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)C2CC2)CC1 ZINC000245742641 497523929 /nfs/dbraw/zinc/52/39/29/497523929.db2.gz XJGPPHNWXLTFFZ-NIAPBTPMSA-N 2 1 358.530 3.336 20 0 FGADMP CC1CCC(N(C(=O)CN2CC[C@H](C)[C@@H](n3ccnc3)C2)C2CC2)CC1 ZINC000245742641 497523936 /nfs/dbraw/zinc/52/39/36/497523936.db2.gz XJGPPHNWXLTFFZ-NIAPBTPMSA-N 2 1 358.530 3.336 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000276279236 497534773 /nfs/dbraw/zinc/53/47/73/497534773.db2.gz UABAXDJNDMIXRY-ZOCIIQOWSA-N 2 1 372.912 3.239 20 0 FGADMP C[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@H+](C)Cc1ccccc1 ZINC000262330144 497541498 /nfs/dbraw/zinc/54/14/98/497541498.db2.gz RNYAOOIXZYXHAV-CQSZACIVSA-N 2 1 358.511 3.069 20 0 FGADMP C[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@@H+](C)Cc1ccccc1 ZINC000262330144 497541502 /nfs/dbraw/zinc/54/15/02/497541502.db2.gz RNYAOOIXZYXHAV-CQSZACIVSA-N 2 1 358.511 3.069 20 0 FGADMP Clc1ccc(Cl)c(SCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262442069 497557124 /nfs/dbraw/zinc/55/71/24/497557124.db2.gz GVNHBEPEYHBGMV-AWEZNQCLSA-N 2 1 360.354 3.065 20 0 FGADMP c1c[nH]c([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462433 497558356 /nfs/dbraw/zinc/55/83/56/497558356.db2.gz VMKPBDYVCGKNOD-KDURUIRLSA-N 2 1 370.545 3.362 20 0 FGADMP c1c[nH]c([C@@H]2CCC[N@@H+](CCCCC[NH+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462433 497558361 /nfs/dbraw/zinc/55/83/61/497558361.db2.gz VMKPBDYVCGKNOD-KDURUIRLSA-N 2 1 370.545 3.362 20 0 FGADMP c1c[nH]c([C@@H]2CCC[N@H+](CCCCC[NH+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462433 497558365 /nfs/dbraw/zinc/55/83/65/497558365.db2.gz VMKPBDYVCGKNOD-KDURUIRLSA-N 2 1 370.545 3.362 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245917118 497570301 /nfs/dbraw/zinc/57/03/01/497570301.db2.gz LDXNMQYVUMPWRJ-NHCUHLMSSA-N 2 1 355.526 3.128 20 0 FGADMP CC[NH+]1CCC(Nc2ccc(C)c(NC(=O)C[NH+]3CCCCC3)c2)CC1 ZINC000272249945 497577114 /nfs/dbraw/zinc/57/71/14/497577114.db2.gz WAAJSXLJKWKWKW-UHFFFAOYSA-N 2 1 358.530 3.316 20 0 FGADMP C[C@H](CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668628 497596312 /nfs/dbraw/zinc/59/63/12/497596312.db2.gz QRTPNLOPWCHXCQ-HLAWJBBLSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262673558 497597050 /nfs/dbraw/zinc/59/70/50/497597050.db2.gz PZVZZYKIRBGDDJ-ARNIEWOOSA-N 2 1 369.553 3.455 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000569363217 505917032 /nfs/dbraw/zinc/91/70/32/505917032.db2.gz GXGWQGYBPZWHQP-FPOVZHCZSA-N 2 1 366.509 3.474 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000569363217 505917033 /nfs/dbraw/zinc/91/70/33/505917033.db2.gz GXGWQGYBPZWHQP-FPOVZHCZSA-N 2 1 366.509 3.474 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000194219321 497605460 /nfs/dbraw/zinc/60/54/60/497605460.db2.gz DFAXFPZPNXAMRZ-OAQYLSRUSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246105512 497622808 /nfs/dbraw/zinc/62/28/08/497622808.db2.gz HLTRJFBQCNJVOW-VAMGGRTRSA-N 2 1 366.594 3.260 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272495190 497643687 /nfs/dbraw/zinc/64/36/87/497643687.db2.gz CYOXNZRMOFKKIH-ROUUACIJSA-N 2 1 356.470 3.492 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272532341 497653968 /nfs/dbraw/zinc/65/39/68/497653968.db2.gz OXZDRZCCSABTGM-UYAOXDASSA-N 2 1 372.557 3.069 20 0 FGADMP C[NH+](C)CCN(C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410335 497657488 /nfs/dbraw/zinc/65/74/88/497657488.db2.gz OBMQSMAMANCZSB-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C(C)=CCC[C@H]3C)CC2)CC1 ZINC000191066554 497698651 /nfs/dbraw/zinc/69/86/51/497698651.db2.gz OUMIREYGSBHZBR-TZIWHRDSSA-N 2 1 361.574 3.245 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000246339454 497701141 /nfs/dbraw/zinc/70/11/41/497701141.db2.gz GQUUCCUVVKOJEM-SLFFLAALSA-N 2 1 362.489 3.397 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000246344386 497702170 /nfs/dbraw/zinc/70/21/70/497702170.db2.gz FBRQQOLRBNCJPM-FHWLQOOXSA-N 2 1 354.583 3.115 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cc2)C1 ZINC000263122450 497710246 /nfs/dbraw/zinc/71/02/46/497710246.db2.gz BAWCILLNFXKSPI-LKUPVBHCSA-N 2 1 359.514 3.253 20 0 FGADMP CC(C)N(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246414082 497726328 /nfs/dbraw/zinc/72/63/28/497726328.db2.gz BROPXZGVKKOKFT-GHTZIAJQSA-N 2 1 355.526 3.377 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000277050102 497727205 /nfs/dbraw/zinc/72/72/05/497727205.db2.gz IGJSYQRDJBZVFQ-PXNSSMCTSA-N 2 1 374.529 3.028 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246452126 497738249 /nfs/dbraw/zinc/73/82/49/497738249.db2.gz OLZQDQUVJBZPPC-FXAWDEMLSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cc(OC)ccn2)CC1 ZINC000273004168 497782660 /nfs/dbraw/zinc/78/26/60/497782660.db2.gz AAYPIPMLGFAQAK-INIZCTEOSA-N 2 1 372.488 3.222 20 0 FGADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1O ZINC000277245058 497787222 /nfs/dbraw/zinc/78/72/22/497787222.db2.gz OTYCDLHEZRDRIL-QGZVFWFLSA-N 2 1 364.530 3.201 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246825634 497814120 /nfs/dbraw/zinc/81/41/20/497814120.db2.gz AEZNJUXZZSOCFY-ZACQAIPSSA-N 2 1 365.493 3.022 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246857310 497817142 /nfs/dbraw/zinc/81/71/42/497817142.db2.gz CKWVEEOBLHHPPQ-VQTJNVASSA-N 2 1 360.546 3.199 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000246860819 497817349 /nfs/dbraw/zinc/81/73/49/497817349.db2.gz CHUWHZFMXMZTSX-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000246860819 497817350 /nfs/dbraw/zinc/81/73/50/497817350.db2.gz CHUWHZFMXMZTSX-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000246860819 497817351 /nfs/dbraw/zinc/81/73/51/497817351.db2.gz CHUWHZFMXMZTSX-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246873954 497818097 /nfs/dbraw/zinc/81/80/97/497818097.db2.gz QEPAVTBGQSNNJQ-FCEUIQTBSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246873954 497818098 /nfs/dbraw/zinc/81/80/98/497818098.db2.gz QEPAVTBGQSNNJQ-FCEUIQTBSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246873954 497818099 /nfs/dbraw/zinc/81/80/99/497818099.db2.gz QEPAVTBGQSNNJQ-FCEUIQTBSA-N 2 1 372.553 3.300 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000569473874 505943994 /nfs/dbraw/zinc/94/39/94/505943994.db2.gz YQULFJAEAKHNON-PMACEKPBSA-N 2 1 361.574 3.220 20 0 FGADMP Cc1ccccc1C1(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CCC1 ZINC000364379959 497929882 /nfs/dbraw/zinc/92/98/82/497929882.db2.gz HIGVGYLZISUSTI-HXUWFJFHSA-N 2 1 369.553 3.044 20 0 FGADMP c1nc2cnccn2c1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364431765 497954445 /nfs/dbraw/zinc/95/44/45/497954445.db2.gz FSYBCBBZLGDHPF-UHFFFAOYSA-N 2 1 361.493 3.217 20 0 FGADMP CCN1CC[C@H](NC(=O)[C@H](C)[NH+]2CC(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578521036 505960111 /nfs/dbraw/zinc/96/01/11/505960111.db2.gz KNGKEJLTQIFMKP-DOPJRALCSA-N 2 1 367.896 3.071 20 0 FGADMP C[N@H+]1CCC[C@H](N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000364547548 498016892 /nfs/dbraw/zinc/01/68/92/498016892.db2.gz RNJIFZOEWPEHPH-INIZCTEOSA-N 2 1 372.340 3.084 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000575342951 505965622 /nfs/dbraw/zinc/96/56/22/505965622.db2.gz ZELCPNBDAYLUOR-VFUGHAIPSA-N 2 1 355.526 3.173 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289146851 498034866 /nfs/dbraw/zinc/03/48/66/498034866.db2.gz FYZDSRTXNQWECB-IEBWSBKVSA-N 2 1 370.497 3.471 20 0 FGADMP Cc1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)c(=O)n1C ZINC000285268054 498037620 /nfs/dbraw/zinc/03/76/20/498037620.db2.gz QQSYFBUEFKLVTG-UHFFFAOYSA-N 2 1 353.510 3.227 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618871 498052878 /nfs/dbraw/zinc/05/28/78/498052878.db2.gz AYOKRAGCTAETBS-IEBWSBKVSA-N 2 1 357.523 3.233 20 0 FGADMP C[N@H+](C[C@@H](O)CCc1ccccc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364638303 498062591 /nfs/dbraw/zinc/06/25/91/498062591.db2.gz FKLJOVBBDMBGTH-QHCPKHFHSA-N 2 1 367.537 3.014 20 0 FGADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364638303 498062600 /nfs/dbraw/zinc/06/26/00/498062600.db2.gz FKLJOVBBDMBGTH-QHCPKHFHSA-N 2 1 367.537 3.014 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H](c4ccnn4C)C3)CC2)nc(C)[nH+]1 ZINC000575474620 505978601 /nfs/dbraw/zinc/97/86/01/505978601.db2.gz YDJFIFDOTQGYIS-HKUYNNGSSA-N 2 1 368.529 3.112 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000581403063 505980689 /nfs/dbraw/zinc/98/06/89/505980689.db2.gz ZCQPLXDXDVAXFE-RYRKJORJSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000581403063 505980692 /nfs/dbraw/zinc/98/06/92/505980692.db2.gz ZCQPLXDXDVAXFE-RYRKJORJSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000581403063 505980696 /nfs/dbraw/zinc/98/06/96/505980696.db2.gz ZCQPLXDXDVAXFE-RYRKJORJSA-N 2 1 366.575 3.159 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(F)c(C(F)(F)F)c3)CC2)CC1 ZINC000289443169 498148321 /nfs/dbraw/zinc/14/83/21/498148321.db2.gz MCSPFDCTRUFGMM-UHFFFAOYSA-N 2 1 373.438 3.304 20 0 FGADMP CC[NH+](Cc1cncc(C[N@@H+](CC)C[C@H]2CCCO2)c1)C[C@@H]1CCCO1 ZINC000569674121 505990193 /nfs/dbraw/zinc/99/01/93/505990193.db2.gz WAYAWBUNOIUXRB-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CC[NH+](Cc1cncc(C[N@H+](CC)C[C@@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000569674121 505990197 /nfs/dbraw/zinc/99/01/97/505990197.db2.gz WAYAWBUNOIUXRB-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CC[NH+](Cc1cncc(C[N@@H+](CC)C[C@@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000569674121 505990201 /nfs/dbraw/zinc/99/02/01/505990201.db2.gz WAYAWBUNOIUXRB-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cccc(Cl)c1 ZINC000364852683 498174100 /nfs/dbraw/zinc/17/41/00/498174100.db2.gz WAHMINZNKONXJQ-ZAWLATJESA-N 2 1 363.933 3.357 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1cccc(Cl)c1 ZINC000364852682 498174138 /nfs/dbraw/zinc/17/41/38/498174138.db2.gz WAHMINZNKONXJQ-RWQQGDIJSA-N 2 1 363.933 3.357 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865222 498175526 /nfs/dbraw/zinc/17/55/26/498175526.db2.gz VSHSFYSMPYKOHM-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865222 498175541 /nfs/dbraw/zinc/17/55/41/498175541.db2.gz VSHSFYSMPYKOHM-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865222 498175549 /nfs/dbraw/zinc/17/55/49/498175549.db2.gz VSHSFYSMPYKOHM-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP CC(=O)NCC[N@H+](Cc1ccsc1)Cc1cc(-n2ccnc2)cs1 ZINC000572545404 505993858 /nfs/dbraw/zinc/99/38/58/505993858.db2.gz NYKQCGBMIANIEH-UHFFFAOYSA-N 2 1 360.508 3.134 20 0 FGADMP CC(=O)NCCN(Cc1ccsc1)Cc1cc(-n2ccnc2)cs1 ZINC000572545404 505993861 /nfs/dbraw/zinc/99/38/61/505993861.db2.gz NYKQCGBMIANIEH-UHFFFAOYSA-N 2 1 360.508 3.134 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1)c1ccsc1 ZINC000289557975 498192559 /nfs/dbraw/zinc/19/25/59/498192559.db2.gz ORZMFTSHDVWWOX-YJBOKZPZSA-N 2 1 360.527 3.015 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000575777145 506002747 /nfs/dbraw/zinc/00/27/47/506002747.db2.gz NOBIQTUSAVRAKL-YSIASYRMSA-N 2 1 369.509 3.490 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000365082441 498288546 /nfs/dbraw/zinc/28/85/46/498288546.db2.gz LLHBOBTVUMVWPD-SWLSCSKDSA-N 2 1 366.387 3.142 20 0 FGADMP CN(C(=O)c1ccc(C2CCC2)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365087971 498290150 /nfs/dbraw/zinc/29/01/50/498290150.db2.gz ZLSHBHFLLWZADJ-NRFANRHFSA-N 2 1 355.526 3.195 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638108 498291330 /nfs/dbraw/zinc/29/13/30/498291330.db2.gz NHGWLNIUHQWSKL-BDTNDASRSA-N 2 1 362.521 3.397 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC(c3cnc[nH]3)CC2)C1 ZINC000360891074 498319602 /nfs/dbraw/zinc/31/96/02/498319602.db2.gz WSBHBEBPCUNVJF-IAGOWNOFSA-N 2 1 361.534 3.057 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141961 498331112 /nfs/dbraw/zinc/33/11/12/498331112.db2.gz ZKIWSSOGPPRJJL-MAUKXSAKSA-N 2 1 353.470 3.123 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141961 498331119 /nfs/dbraw/zinc/33/11/19/498331119.db2.gz ZKIWSSOGPPRJJL-MAUKXSAKSA-N 2 1 353.470 3.123 20 0 FGADMP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365273845 498382640 /nfs/dbraw/zinc/38/26/40/498382640.db2.gz KXOPVZFMHIWLAJ-KRWDZBQOSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@@H](c1nnnn1C1CC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365273845 498382645 /nfs/dbraw/zinc/38/26/45/498382645.db2.gz KXOPVZFMHIWLAJ-KRWDZBQOSA-N 2 1 366.513 3.057 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101756 498384559 /nfs/dbraw/zinc/38/45/59/498384559.db2.gz IRKSZLAKRBIHRA-NQIIRXRSSA-N 2 1 358.526 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101756 498384564 /nfs/dbraw/zinc/38/45/64/498384564.db2.gz IRKSZLAKRBIHRA-NQIIRXRSSA-N 2 1 358.526 3.346 20 0 FGADMP CC(C)[NH2+]CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826220 506025646 /nfs/dbraw/zinc/02/56/46/506025646.db2.gz RJHWYSJMMUMGHR-YJBOKZPZSA-N 2 1 371.447 3.203 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000361725116 498423825 /nfs/dbraw/zinc/42/38/25/498423825.db2.gz BZJSHMFVQZBCPH-UHFFFAOYSA-N 2 1 368.525 3.183 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000365391432 498440673 /nfs/dbraw/zinc/44/06/73/498440673.db2.gz FKWFSGLQKLAWIA-ROUUACIJSA-N 2 1 358.530 3.046 20 0 FGADMP COc1cccc(OC)c1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000286584636 498443207 /nfs/dbraw/zinc/44/32/07/498443207.db2.gz QKBNACLIPYGHCP-INIZCTEOSA-N 2 1 355.482 3.414 20 0 FGADMP Cc1cnccc1OC1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000575947254 506038949 /nfs/dbraw/zinc/03/89/49/506038949.db2.gz CKWBPHKBPCWZBL-WMZOPIPTSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000575947254 506038954 /nfs/dbraw/zinc/03/89/54/506038954.db2.gz CKWBPHKBPCWZBL-WMZOPIPTSA-N 2 1 374.529 3.063 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000331860725 498478393 /nfs/dbraw/zinc/47/83/93/498478393.db2.gz YMNASNLYAAFDEK-JFIYKMOQSA-N 2 1 372.513 3.245 20 0 FGADMP C[C@@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000569910481 506045024 /nfs/dbraw/zinc/04/50/24/506045024.db2.gz LSWOYGSMWKPRFR-HNNXBMFYSA-N 2 1 370.472 3.113 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1SC ZINC000282426990 498506483 /nfs/dbraw/zinc/50/64/83/498506483.db2.gz SWWILQVZILXVQO-HNNXBMFYSA-N 2 1 351.560 3.094 20 0 FGADMP NC(=O)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926441 506049582 /nfs/dbraw/zinc/04/95/82/506049582.db2.gz HBKFKKWKCYYPOA-VQTJNVASSA-N 2 1 367.468 3.139 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000297785276 498566143 /nfs/dbraw/zinc/56/61/43/498566143.db2.gz WLGKRQBSLRXXRD-NHCUHLMSSA-N 2 1 353.514 3.171 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000282590164 498571850 /nfs/dbraw/zinc/57/18/50/498571850.db2.gz ALCKXIZHCXEBEJ-NRFANRHFSA-N 2 1 369.553 3.278 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000363055950 498626043 /nfs/dbraw/zinc/62/60/43/498626043.db2.gz OVQVXNPCUBBIFW-OAQYLSRUSA-N 2 1 365.521 3.043 20 0 FGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009129 506067175 /nfs/dbraw/zinc/06/71/75/506067175.db2.gz QBKBKSXXZBNKNO-UKRRQHHQSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009129 506067177 /nfs/dbraw/zinc/06/71/77/506067177.db2.gz QBKBKSXXZBNKNO-UKRRQHHQSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009129 506067182 /nfs/dbraw/zinc/06/71/82/506067182.db2.gz QBKBKSXXZBNKNO-UKRRQHHQSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000570009129 506067185 /nfs/dbraw/zinc/06/71/85/506067185.db2.gz QBKBKSXXZBNKNO-UKRRQHHQSA-N 2 1 360.420 3.408 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303316228 498664610 /nfs/dbraw/zinc/66/46/10/498664610.db2.gz SHYOQBQEFHFOOS-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP CCOc1cc2[nH+]ccc(NC[C@H]3C[N@@H+](C4CC4)CCO3)c2cc1OCC ZINC000303469144 498679311 /nfs/dbraw/zinc/67/93/11/498679311.db2.gz HGZOSVAGMRYTNP-INIZCTEOSA-N 2 1 371.481 3.307 20 0 FGADMP CCOc1cc2[nH+]ccc(NC[C@H]3C[N@H+](C4CC4)CCO3)c2cc1OCC ZINC000303469144 498679314 /nfs/dbraw/zinc/67/93/14/498679314.db2.gz HGZOSVAGMRYTNP-INIZCTEOSA-N 2 1 371.481 3.307 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881831 506074441 /nfs/dbraw/zinc/07/44/41/506074441.db2.gz WWVXKBOSBRXDRW-TZIWHRDSSA-N 2 1 367.493 3.040 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000365967033 498716055 /nfs/dbraw/zinc/71/60/55/498716055.db2.gz GASHZTWOVBCMDM-XLIONFOSSA-N 2 1 363.933 3.181 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCCCO4)C2)cc1 ZINC000311783496 498754336 /nfs/dbraw/zinc/75/43/36/498754336.db2.gz LASXDGCOGBKBTA-LJQANCHMSA-N 2 1 352.478 3.460 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cccc4c3OCCCO4)C2)cc1 ZINC000311783496 498754342 /nfs/dbraw/zinc/75/43/42/498754342.db2.gz LASXDGCOGBKBTA-LJQANCHMSA-N 2 1 352.478 3.460 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CCN(Cc3cc(F)ncc3F)CC2)C[C@H](C)O1 ZINC000294667812 498767164 /nfs/dbraw/zinc/76/71/64/498767164.db2.gz CKPXAWDZFPXYLN-GASCZTMLSA-N 2 1 353.457 3.071 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000287468106 498767670 /nfs/dbraw/zinc/76/76/70/498767670.db2.gz MFVNMPVFKIZHFM-OZAHESQGSA-N 2 1 360.567 3.178 20 0 FGADMP C[C@H]1C[N@@H+](CCCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091764 506088732 /nfs/dbraw/zinc/08/87/32/506088732.db2.gz IGSSFQUEBHHNSA-UNMCSNQZSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091764 506088734 /nfs/dbraw/zinc/08/87/34/506088734.db2.gz IGSSFQUEBHHNSA-UNMCSNQZSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCO1 ZINC000570091764 506088736 /nfs/dbraw/zinc/08/87/36/506088736.db2.gz IGSSFQUEBHHNSA-UNMCSNQZSA-N 2 1 371.569 3.274 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000283189521 498810287 /nfs/dbraw/zinc/81/02/87/498810287.db2.gz KLPLSNNIMLUJQQ-SCWSEQNSSA-N 2 1 369.509 3.399 20 0 FGADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)ccn1 ZINC000581937834 506094461 /nfs/dbraw/zinc/09/44/61/506094461.db2.gz VEJXNWMGMLRAOG-QXAKKESOSA-N 2 1 371.456 3.260 20 0 FGADMP Cc1cc(NC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c(Cl)cc1F ZINC000287623273 498817760 /nfs/dbraw/zinc/81/77/60/498817760.db2.gz UOJMISDPBOMWAR-UHFFFAOYSA-N 2 1 370.900 3.277 20 0 FGADMP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000576132828 506084632 /nfs/dbraw/zinc/08/46/32/506084632.db2.gz HTQFKFAHAODJOV-ABSDTBQOSA-N 2 1 365.477 3.291 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CCCc2sccc21 ZINC000366241831 498837834 /nfs/dbraw/zinc/83/78/34/498837834.db2.gz SJNYOOOUNZVOIM-SFHVURJKSA-N 2 1 373.570 3.099 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294910236 498846458 /nfs/dbraw/zinc/84/64/58/498846458.db2.gz AFIHHMLFLCGQHD-QFUCXCTJSA-N 2 1 351.494 3.022 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000366260551 498847414 /nfs/dbraw/zinc/84/74/14/498847414.db2.gz RXYGZOYFNZZZPH-SJORKVTESA-N 2 1 361.917 3.161 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000570145951 506101355 /nfs/dbraw/zinc/10/13/55/506101355.db2.gz VDVYRIQFNDFZHQ-KKSFZXQISA-N 2 1 364.493 3.464 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324464 498873992 /nfs/dbraw/zinc/87/39/92/498873992.db2.gz AXZPMEWSEVEKRG-VQIMIIECSA-N 2 1 351.922 3.358 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1=O ZINC000295036673 498889673 /nfs/dbraw/zinc/88/96/73/498889673.db2.gz PCFMZLVQKKCNOS-NMLACTOBSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1=O ZINC000295036673 498889675 /nfs/dbraw/zinc/88/96/75/498889675.db2.gz PCFMZLVQKKCNOS-NMLACTOBSA-N 2 1 359.489 3.094 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000581941828 506096230 /nfs/dbraw/zinc/09/62/30/506096230.db2.gz GUQYSUDORHQOAD-SJLPKXTDSA-N 2 1 355.885 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000581941828 506096233 /nfs/dbraw/zinc/09/62/33/506096233.db2.gz GUQYSUDORHQOAD-SJLPKXTDSA-N 2 1 355.885 3.248 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003375 506110654 /nfs/dbraw/zinc/11/06/54/506110654.db2.gz HGOLYTUUAYBKFJ-ZWKOTPCHSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003375 506110659 /nfs/dbraw/zinc/11/06/59/506110659.db2.gz HGOLYTUUAYBKFJ-ZWKOTPCHSA-N 2 1 365.477 3.349 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000582026595 506115405 /nfs/dbraw/zinc/11/54/05/506115405.db2.gz ORJOCBJJJIVJRA-OAQYLSRUSA-N 2 1 354.542 3.409 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000573120461 506123471 /nfs/dbraw/zinc/12/34/71/506123471.db2.gz QSYRDMMWSFIBAB-INIZCTEOSA-N 2 1 373.522 3.006 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000573120461 506123473 /nfs/dbraw/zinc/12/34/73/506123473.db2.gz QSYRDMMWSFIBAB-INIZCTEOSA-N 2 1 373.522 3.006 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)NC23CCC3)CC1 ZINC000284067614 499042082 /nfs/dbraw/zinc/04/20/82/499042082.db2.gz MZMYHUSPXLMPHB-SOAGJPPSSA-N 2 1 355.526 3.221 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196577 499066369 /nfs/dbraw/zinc/06/63/69/499066369.db2.gz SESIWDUNDRESSO-GOTSBHOMSA-N 2 1 371.569 3.228 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488986 499133958 /nfs/dbraw/zinc/13/39/58/499133958.db2.gz CJFQGZQOMFICKK-RBBKRZOGSA-N 2 1 355.526 3.067 20 0 FGADMP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c(F)c1 ZINC000372521458 499138639 /nfs/dbraw/zinc/13/86/39/499138639.db2.gz JQJBRSPZPRSGNI-ICSRJNTNSA-N 2 1 371.456 3.132 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852761 499139102 /nfs/dbraw/zinc/13/91/02/499139102.db2.gz OMYZBEQLDZHEEJ-NBHGPNQESA-N 2 1 372.534 3.434 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367058668 499141657 /nfs/dbraw/zinc/14/16/57/499141657.db2.gz WFLGZERWJBQRGG-ROUUACIJSA-N 2 1 358.530 3.046 20 0 FGADMP CCC[N@H+](CCc1ccnn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367122275 499151823 /nfs/dbraw/zinc/15/18/23/499151823.db2.gz YSYJGVKOIQWYSL-UHFFFAOYSA-N 2 1 370.545 3.233 20 0 FGADMP CCC[N@@H+](CCc1ccnn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367122275 499151825 /nfs/dbraw/zinc/15/18/25/499151825.db2.gz YSYJGVKOIQWYSL-UHFFFAOYSA-N 2 1 370.545 3.233 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374457 499190710 /nfs/dbraw/zinc/19/07/10/499190710.db2.gz IOJOCDKWOCDODN-LEWJYISDSA-N 2 1 355.526 3.127 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1OC ZINC000370163831 499190950 /nfs/dbraw/zinc/19/09/50/499190950.db2.gz UHDQTJDSNZZZAB-UGSOOPFHSA-N 2 1 374.510 3.395 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2cccs2)[C@H]1c1ccccc1 ZINC000367482839 499204390 /nfs/dbraw/zinc/20/43/90/499204390.db2.gz IKUSIGFWGDJQEA-SFHLNBCPSA-N 2 1 374.550 3.298 20 0 FGADMP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618193 499218507 /nfs/dbraw/zinc/21/85/07/499218507.db2.gz SBURSLOBGLDVIL-RDABAPPSSA-N 3 1 372.601 3.045 20 0 FGADMP CCN1CCN([C@H](C)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618193 499218509 /nfs/dbraw/zinc/21/85/09/499218509.db2.gz SBURSLOBGLDVIL-RDABAPPSSA-N 2 1 372.601 3.045 20 0 FGADMP CCN1CCN([C@H](C)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000367618193 499218510 /nfs/dbraw/zinc/21/85/10/499218510.db2.gz SBURSLOBGLDVIL-RDABAPPSSA-N 2 1 372.601 3.045 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000370475014 499224001 /nfs/dbraw/zinc/22/40/01/499224001.db2.gz ADMIRAMYVZBYJD-UHFFFAOYSA-N 2 1 360.546 3.187 20 0 FGADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)CC1 ZINC000370586049 499233774 /nfs/dbraw/zinc/23/37/74/499233774.db2.gz ZXAGMCGYTNFKJK-UWJYYQICSA-N 2 1 370.541 3.030 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000370608400 499235364 /nfs/dbraw/zinc/23/53/64/499235364.db2.gz LJEPSQGAGFUQEI-YPIGPJMWSA-N 2 1 371.569 3.303 20 0 FGADMP Cc1nnc(N2CCC([NH2+][C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)CC2)s1 ZINC000367832130 499236775 /nfs/dbraw/zinc/23/67/75/499236775.db2.gz PFHHLFYCZYNQFA-ZBFHGGJFSA-N 2 1 363.575 3.058 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000370677638 499243303 /nfs/dbraw/zinc/24/33/03/499243303.db2.gz OVZRRWOZSPQQDN-IRLDBZIGSA-N 2 1 363.505 3.095 20 0 FGADMP c1cc(C[NH+]2CCC[C@]23CCOC3)cc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725304 499248303 /nfs/dbraw/zinc/24/83/03/499248303.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP c1cc(C[NH+]2CCC[C@@]23CCOC3)cc(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000370725304 499248304 /nfs/dbraw/zinc/24/83/04/499248304.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP c1cc(C[NH+]2CCC[C@@]23CCOC3)cc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000370725304 499248305 /nfs/dbraw/zinc/24/83/05/499248305.db2.gz QWNGBUOCRCMENZ-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP C[NH2+]C[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772936 499253206 /nfs/dbraw/zinc/25/32/06/499253206.db2.gz MSBFXYJGXAIOMJ-QRTARXTBSA-N 2 1 371.447 3.060 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368018901 499255819 /nfs/dbraw/zinc/25/58/19/499255819.db2.gz KINIQWILMPKERE-PHXBYCTMSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368018901 499255820 /nfs/dbraw/zinc/25/58/20/499255820.db2.gz KINIQWILMPKERE-PHXBYCTMSA-N 2 1 360.498 3.092 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026069 499256937 /nfs/dbraw/zinc/25/69/37/499256937.db2.gz ZVLZFUIPBGNNQK-HAFPXEGZSA-N 2 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026069 499256939 /nfs/dbraw/zinc/25/69/39/499256939.db2.gz ZVLZFUIPBGNNQK-HAFPXEGZSA-N 3 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026069 499256941 /nfs/dbraw/zinc/25/69/41/499256941.db2.gz ZVLZFUIPBGNNQK-HAFPXEGZSA-N 3 1 368.525 3.425 20 0 FGADMP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155537 499269920 /nfs/dbraw/zinc/26/99/20/499269920.db2.gz OTDVJDBLBQJYOG-UYAOXDASSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000371007213 499279850 /nfs/dbraw/zinc/27/98/50/499279850.db2.gz HJPWJQURIHSGRT-VURPSTOHSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000371007213 499279852 /nfs/dbraw/zinc/27/98/52/499279852.db2.gz HJPWJQURIHSGRT-VURPSTOHSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000371007213 499279854 /nfs/dbraw/zinc/27/98/54/499279854.db2.gz HJPWJQURIHSGRT-VURPSTOHSA-N 2 1 372.557 3.021 20 0 FGADMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110255 499289608 /nfs/dbraw/zinc/28/96/08/499289608.db2.gz YKADUBOXWKTZAO-OAQYLSRUSA-N 2 1 351.494 3.272 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110255 499289610 /nfs/dbraw/zinc/28/96/10/499289610.db2.gz YKADUBOXWKTZAO-OAQYLSRUSA-N 2 1 351.494 3.272 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110255 499289611 /nfs/dbraw/zinc/28/96/11/499289611.db2.gz YKADUBOXWKTZAO-OAQYLSRUSA-N 2 1 351.494 3.272 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000371110255 499289613 /nfs/dbraw/zinc/28/96/13/499289613.db2.gz YKADUBOXWKTZAO-OAQYLSRUSA-N 2 1 351.494 3.272 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3nc4ccccc4o3)CC2)CC1 ZINC000371160047 499294491 /nfs/dbraw/zinc/29/44/91/499294491.db2.gz ITCISXRAUPBLPK-UHFFFAOYSA-N 3 1 370.541 3.456 20 0 FGADMP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1nc2ccccc2o1 ZINC000371160047 499294493 /nfs/dbraw/zinc/29/44/93/499294493.db2.gz ITCISXRAUPBLPK-UHFFFAOYSA-N 3 1 370.541 3.456 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000368442578 499296411 /nfs/dbraw/zinc/29/64/11/499296411.db2.gz PSTLRLQXMPOBKY-UHFFFAOYSA-N 2 1 372.557 3.343 20 0 FGADMP COc1ccc([C@H]2[C@@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@@H+]2C)cc1 ZINC000368492517 499301604 /nfs/dbraw/zinc/30/16/04/499301604.db2.gz CVGUQNUYDHAPFB-LCLFBYRMSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccc([C@H]2[C@@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@H+]2C)cc1 ZINC000368492517 499301605 /nfs/dbraw/zinc/30/16/05/499301605.db2.gz CVGUQNUYDHAPFB-LCLFBYRMSA-N 2 1 373.541 3.115 20 0 FGADMP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371270569 499304447 /nfs/dbraw/zinc/30/44/47/499304447.db2.gz GAPDDYBFGDUASW-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1[nH+]c(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)c2n1CCCC2 ZINC000371299754 499307227 /nfs/dbraw/zinc/30/72/27/499307227.db2.gz KABRLUWHDYNUIY-UHFFFAOYSA-N 2 1 366.465 3.266 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCc1nc(-c3ccccc3)no1)CC2)C1CC1 ZINC000371329507 499310778 /nfs/dbraw/zinc/31/07/78/499310778.db2.gz JWXLOTGOXDMOKL-GOSISDBHSA-N 2 1 366.509 3.475 20 0 FGADMP COc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)ccc2c1 ZINC000371335009 499312239 /nfs/dbraw/zinc/31/22/39/499312239.db2.gz IJAFKZJFBKGSIS-QFIPXVFZSA-N 2 1 367.537 3.449 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368624722 499314723 /nfs/dbraw/zinc/31/47/23/499314723.db2.gz OJPCIVGMWALDIM-SFHVURJKSA-N 2 1 370.493 3.411 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371472452 499331380 /nfs/dbraw/zinc/33/13/80/499331380.db2.gz ZOSSTYCWHMGIBQ-BAGYTPMASA-N 2 1 368.525 3.173 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371472452 499331382 /nfs/dbraw/zinc/33/13/82/499331382.db2.gz ZOSSTYCWHMGIBQ-BAGYTPMASA-N 2 1 368.525 3.173 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471823 499331488 /nfs/dbraw/zinc/33/14/88/499331488.db2.gz WYMSMWDUXMOGED-NJAFHUGGSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471823 499331489 /nfs/dbraw/zinc/33/14/89/499331489.db2.gz WYMSMWDUXMOGED-NJAFHUGGSA-N 2 1 354.441 3.014 20 0 FGADMP CC[NH+](CC)CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000371527859 499338186 /nfs/dbraw/zinc/33/81/86/499338186.db2.gz YDQIKFKNZGEYCD-SFHVURJKSA-N 2 1 360.546 3.341 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000368844654 499338758 /nfs/dbraw/zinc/33/87/58/499338758.db2.gz HVEGAAKWUWLJSE-WCQYABFASA-N 2 1 367.280 3.430 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000573204794 506143192 /nfs/dbraw/zinc/14/31/92/506143192.db2.gz MQBLRINQUWIJHP-FYYLOGMGSA-N 2 1 369.553 3.137 20 0 FGADMP COc1ccc(CC[N@@H+](C)C2CCN(c3cc(C)nc(C)n3)CC2)cc1 ZINC000371882632 499375152 /nfs/dbraw/zinc/37/51/52/499375152.db2.gz DBHZGNYMJRGECH-UHFFFAOYSA-N 2 1 354.498 3.245 20 0 FGADMP COc1ccc(CC[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000371882632 499375153 /nfs/dbraw/zinc/37/51/53/499375153.db2.gz DBHZGNYMJRGECH-UHFFFAOYSA-N 2 1 354.498 3.245 20 0 FGADMP COc1ccc(CC[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000371882632 499375154 /nfs/dbraw/zinc/37/51/54/499375154.db2.gz DBHZGNYMJRGECH-UHFFFAOYSA-N 2 1 354.498 3.245 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+][C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000372056749 499394070 /nfs/dbraw/zinc/39/40/70/499394070.db2.gz VSIWIPSFPJLDQK-LJQANCHMSA-N 3 1 351.579 3.118 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000579317843 506144977 /nfs/dbraw/zinc/14/49/77/506144977.db2.gz PKPDZUWDYDGXPQ-AZUAARDMSA-N 2 1 372.582 3.433 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000369396913 499399230 /nfs/dbraw/zinc/39/92/30/499399230.db2.gz BPFMCBBZYFAPOA-FQEVSTJZSA-N 2 1 372.944 3.489 20 0 FGADMP CO[C@H](CN1CCC([N@H+]2CCOC[C@H]2C)CC1)c1ccc(Cl)cc1 ZINC000570341841 506145812 /nfs/dbraw/zinc/14/58/12/506145812.db2.gz SEEXHYCCXLAZOO-DNVCBOLYSA-N 2 1 352.906 3.213 20 0 FGADMP O=C([C@@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1)N1CCCCC1 ZINC000369711503 499438408 /nfs/dbraw/zinc/43/84/08/499438408.db2.gz CSMXNFABXLEELA-IRLDBZIGSA-N 2 1 369.553 3.422 20 0 FGADMP C[N@@H+](C[C@@H]1CC2(CC2)C(=O)O1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000373025092 499447865 /nfs/dbraw/zinc/44/78/65/499447865.db2.gz KMBPZTGNFWGFHE-IBGZPJMESA-N 2 1 356.510 3.316 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000378357877 499506635 /nfs/dbraw/zinc/50/66/35/499506635.db2.gz XYCSZRLIICUDDV-QGZVFWFLSA-N 2 1 358.530 3.120 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378357877 499506637 /nfs/dbraw/zinc/50/66/37/499506637.db2.gz XYCSZRLIICUDDV-QGZVFWFLSA-N 2 1 358.530 3.120 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375410590 499515634 /nfs/dbraw/zinc/51/56/34/499515634.db2.gz KPAIFRPFVIYNOG-MQSCRBSSSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375410590 499515636 /nfs/dbraw/zinc/51/56/36/499515636.db2.gz KPAIFRPFVIYNOG-MQSCRBSSSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@@]1(C)O ZINC000375410590 499515637 /nfs/dbraw/zinc/51/56/37/499515637.db2.gz KPAIFRPFVIYNOG-MQSCRBSSSA-N 2 1 374.569 3.397 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@H]1c1ccccc1 ZINC000375449306 499520458 /nfs/dbraw/zinc/52/04/58/499520458.db2.gz PGKNQBZOPRRVFN-XPWALMASSA-N 2 1 368.521 3.237 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632561 499542210 /nfs/dbraw/zinc/54/22/10/499542210.db2.gz SQKUUAPJMAPZHL-ILWGZMRPSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632561 499542211 /nfs/dbraw/zinc/54/22/11/499542211.db2.gz SQKUUAPJMAPZHL-ILWGZMRPSA-N 2 1 368.521 3.377 20 0 FGADMP COc1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000379623251 499542411 /nfs/dbraw/zinc/54/24/11/499542411.db2.gz IAKOYBRVYBNUKK-MRXNPFEDSA-N 2 1 358.482 3.410 20 0 FGADMP COc1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000379623251 499542413 /nfs/dbraw/zinc/54/24/13/499542413.db2.gz IAKOYBRVYBNUKK-MRXNPFEDSA-N 2 1 358.482 3.410 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000396324489 499563010 /nfs/dbraw/zinc/56/30/10/499563010.db2.gz PCQAAPAZMXQRDE-UHFFFAOYSA-N 2 1 356.432 3.477 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3ccc(F)cc3)C2)CC1 ZINC000375889055 499565212 /nfs/dbraw/zinc/56/52/12/499565212.db2.gz IXLAWIOVUVXQAM-GOSISDBHSA-N 2 1 351.535 3.018 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000398005779 499565384 /nfs/dbraw/zinc/56/53/84/499565384.db2.gz QFCUZXPTFDEJTG-QIJUGHKUSA-N 2 1 365.521 3.493 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000376181553 499589387 /nfs/dbraw/zinc/58/93/87/499589387.db2.gz PJHZJBUIFPHAHX-IBGZPJMESA-N 2 1 373.545 3.227 20 0 FGADMP CN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376395015 499605379 /nfs/dbraw/zinc/60/53/79/499605379.db2.gz JKORDMGPAPICAG-OKCRPCIYSA-N 2 1 373.516 3.121 20 0 FGADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](c4nccn4C)C3)n2)cc1 ZINC000376430967 499608410 /nfs/dbraw/zinc/60/84/10/499608410.db2.gz ZZCYIECECPJPOS-QGZVFWFLSA-N 2 1 351.454 3.412 20 0 FGADMP CCc1ccc(-c2noc(CN3CCC[C@@H](c4nccn4C)C3)n2)cc1 ZINC000376430967 499608411 /nfs/dbraw/zinc/60/84/11/499608411.db2.gz ZZCYIECECPJPOS-QGZVFWFLSA-N 2 1 351.454 3.412 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633124 499624600 /nfs/dbraw/zinc/62/46/00/499624600.db2.gz CJRZGWBBQZNTHP-WJMWBRGCSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000376878701 499643174 /nfs/dbraw/zinc/64/31/74/499643174.db2.gz WVTRMIPDBFKYFW-CALCHBBNSA-N 2 1 350.576 3.460 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000410354436 499657205 /nfs/dbraw/zinc/65/72/05/499657205.db2.gz QAXGGSFDQKBAST-LJQANCHMSA-N 2 1 372.557 3.154 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328808 499726263 /nfs/dbraw/zinc/72/62/63/499726263.db2.gz QGQPVYIVLCEJJH-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000411328808 499726265 /nfs/dbraw/zinc/72/62/65/499726265.db2.gz QGQPVYIVLCEJJH-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000411328808 499726267 /nfs/dbraw/zinc/72/62/67/499726267.db2.gz QGQPVYIVLCEJJH-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415023 499737302 /nfs/dbraw/zinc/73/73/02/499737302.db2.gz MVJSFGRJQSBJFB-AVRDEDQJSA-N 2 1 352.526 3.001 20 0 FGADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415023 499737304 /nfs/dbraw/zinc/73/73/04/499737304.db2.gz MVJSFGRJQSBJFB-AVRDEDQJSA-N 2 1 352.526 3.001 20 0 FGADMP FC(F)CN1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411427515 499738978 /nfs/dbraw/zinc/73/89/78/499738978.db2.gz OZWNDNIATRQHSB-UHFFFAOYSA-N 2 1 351.485 3.445 20 0 FGADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834214 499740600 /nfs/dbraw/zinc/74/06/00/499740600.db2.gz JVHUVEHYQNIPPC-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834214 499740602 /nfs/dbraw/zinc/74/06/02/499740602.db2.gz JVHUVEHYQNIPPC-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834214 499740603 /nfs/dbraw/zinc/74/06/03/499740603.db2.gz JVHUVEHYQNIPPC-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP CN(Cc1nccn1Cc1ccccc1)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC000377928415 499748646 /nfs/dbraw/zinc/74/86/46/499748646.db2.gz YNUJXBXCUYARPK-NRFANRHFSA-N 2 1 372.488 3.102 20 0 FGADMP C[C@H](CC[NH+](C)[C@@H](C)c1cnn(C)c1)CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411506510 499748948 /nfs/dbraw/zinc/74/89/48/499748948.db2.gz YIKSTEJRIAUFFM-BCDXTJNWSA-N 2 1 360.550 3.256 20 0 FGADMP C[C@H](c1cnn(C)c1)[NH+](C)CC[C@H](C)CC[N@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411506510 499748949 /nfs/dbraw/zinc/74/89/49/499748949.db2.gz YIKSTEJRIAUFFM-BCDXTJNWSA-N 2 1 360.550 3.256 20 0 FGADMP C[C@H](c1cnn(C)c1)[NH+](C)CC[C@H](C)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411506510 499748950 /nfs/dbraw/zinc/74/89/50/499748950.db2.gz YIKSTEJRIAUFFM-BCDXTJNWSA-N 2 1 360.550 3.256 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131693 499763427 /nfs/dbraw/zinc/76/34/27/499763427.db2.gz YGICHIJOAVWFAQ-PGRDOPGGSA-N 2 1 354.494 3.291 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131693 499763429 /nfs/dbraw/zinc/76/34/29/499763429.db2.gz YGICHIJOAVWFAQ-PGRDOPGGSA-N 2 1 354.494 3.291 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000414140720 499763810 /nfs/dbraw/zinc/76/38/10/499763810.db2.gz HZWRNONRFKZYLD-AYOQOUSVSA-N 2 1 363.521 3.444 20 0 FGADMP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C[C@@H](C)O2 ZINC000411676853 499776625 /nfs/dbraw/zinc/77/66/25/499776625.db2.gz QGVUMJDIQJEZRO-XQBPLPMBSA-N 2 1 358.526 3.441 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340315 499779216 /nfs/dbraw/zinc/77/92/16/499779216.db2.gz GVONVCFCXICUTL-QFUCXCTJSA-N 2 1 363.521 3.131 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000414402588 499787249 /nfs/dbraw/zinc/78/72/49/499787249.db2.gz GFABKDIXPXCYRB-GOSISDBHSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000414402588 499787250 /nfs/dbraw/zinc/78/72/50/499787250.db2.gz GFABKDIXPXCYRB-GOSISDBHSA-N 2 1 366.509 3.486 20 0 FGADMP O[C@H]([C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793063 499791418 /nfs/dbraw/zinc/79/14/18/499791418.db2.gz BBIAUKWFPBNSNW-QZTJIDSGSA-N 2 1 356.432 3.418 20 0 FGADMP CC(C)N1CC[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411879412 499799238 /nfs/dbraw/zinc/79/92/38/499799238.db2.gz RTDHQBAXMXUHDU-KOUNCHBCSA-N 2 1 366.638 3.232 20 0 FGADMP CC(C)N1CC[C@@H]([N@@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411879412 499799240 /nfs/dbraw/zinc/79/92/40/499799240.db2.gz RTDHQBAXMXUHDU-KOUNCHBCSA-N 2 1 366.638 3.232 20 0 FGADMP CC(C)N1CC[C@@H]([N@H+](C)CC[C@H](C)CC[NH+](C)[C@H]2CCN(C(C)C)C2)C1 ZINC000411879412 499799241 /nfs/dbraw/zinc/79/92/41/499799241.db2.gz RTDHQBAXMXUHDU-KOUNCHBCSA-N 2 1 366.638 3.232 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@@H]12 ZINC000414670768 499819062 /nfs/dbraw/zinc/81/90/62/499819062.db2.gz MRYBSYNYOAJBCB-KFKAGJAMSA-N 2 1 351.498 3.229 20 0 FGADMP CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414740636 499825437 /nfs/dbraw/zinc/82/54/37/499825437.db2.gz DHHIPABJIHCTBH-FVJLSDCUSA-N 2 1 354.494 3.292 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccccc1 ZINC000414745117 499825826 /nfs/dbraw/zinc/82/58/26/499825826.db2.gz XEXZVRHTALEOLQ-CVEARBPZSA-N 2 1 361.283 3.329 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(O)c2Br)C[C@H]1c1ccccc1 ZINC000414745117 499825828 /nfs/dbraw/zinc/82/58/28/499825828.db2.gz XEXZVRHTALEOLQ-CVEARBPZSA-N 2 1 361.283 3.329 20 0 FGADMP COCC[N@H+](Cc1sccc1Br)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414756901 499827266 /nfs/dbraw/zinc/82/72/66/499827266.db2.gz ROMBADMDLPHNOI-QWHCGFSZSA-N 2 1 361.349 3.347 20 0 FGADMP FC(F)(F)Oc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000414784640 499830943 /nfs/dbraw/zinc/83/09/43/499830943.db2.gz SXPWGQPNZQVSSE-UHFFFAOYSA-N 2 1 353.182 3.189 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414805878 499833254 /nfs/dbraw/zinc/83/32/54/499833254.db2.gz PXNSVCKJOHAIIP-XPTSAGLGSA-N 2 1 363.811 3.403 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414809922 499833454 /nfs/dbraw/zinc/83/34/54/499833454.db2.gz UVYAGGUWJIGPDT-HIFRSBDPSA-N 2 1 363.303 3.446 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]Cc4cccnc4)[C@H]3C2)cc1 ZINC000414886221 499841482 /nfs/dbraw/zinc/84/14/82/499841482.db2.gz VPXHKGHEUUGAGM-VABKMULXSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000414886221 499841483 /nfs/dbraw/zinc/84/14/83/499841483.db2.gz VPXHKGHEUUGAGM-VABKMULXSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCCNCc4cccnc4)[C@H]3C2)cc1 ZINC000414886221 499841484 /nfs/dbraw/zinc/84/14/84/499841484.db2.gz VPXHKGHEUUGAGM-VABKMULXSA-N 2 1 364.537 3.062 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000414906432 499843561 /nfs/dbraw/zinc/84/35/61/499843561.db2.gz PPJJXOMWPADKIA-WBVHZDCISA-N 2 1 355.486 3.256 20 0 FGADMP Clc1cc(I)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414905799 499843606 /nfs/dbraw/zinc/84/36/06/499843606.db2.gz AGSKEBKSMXWPRH-LBPRGKRZSA-N 2 1 364.658 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000414917602 499844775 /nfs/dbraw/zinc/84/47/75/499844775.db2.gz RUXVYDRYTZIGCK-QAPCUYQASA-N 2 1 355.486 3.304 20 0 FGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)CC1CCOCC1 ZINC000414936022 499846374 /nfs/dbraw/zinc/84/63/74/499846374.db2.gz BEBYVYLPGTXLOV-VHFSOBRXSA-N 2 1 352.469 3.453 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH2+]1 ZINC000414957239 499848730 /nfs/dbraw/zinc/84/87/30/499848730.db2.gz VYDKYVKDDMDWPO-GUYCJALGSA-N 2 1 352.404 3.180 20 0 FGADMP COc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccccc12 ZINC000415049919 499858117 /nfs/dbraw/zinc/85/81/17/499858117.db2.gz HWVFXRILSAHNPL-UHFFFAOYSA-N 2 1 353.510 3.154 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063163 499860032 /nfs/dbraw/zinc/86/00/32/499860032.db2.gz GXETYASQTKCRPW-MLGOLLRUSA-N 2 1 353.894 3.173 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065887 499860185 /nfs/dbraw/zinc/86/01/85/499860185.db2.gz NXHJKXNDLIERJS-RDTXWAMCSA-N 2 1 351.922 3.184 20 0 FGADMP [NH3+][C@H](CNC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000415065429 499860397 /nfs/dbraw/zinc/86/03/97/499860397.db2.gz GHMDWFWFAKOXQA-GOSISDBHSA-N 2 1 370.522 3.057 20 0 FGADMP CCCCCOc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415103249 499864122 /nfs/dbraw/zinc/86/41/22/499864122.db2.gz CYPYGCLFVUIRFV-IBGZPJMESA-N 2 1 357.502 3.143 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000415116368 499865571 /nfs/dbraw/zinc/86/55/71/499865571.db2.gz XXCOSRQNFGWJAP-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415120875 499866285 /nfs/dbraw/zinc/86/62/85/499866285.db2.gz GLXKGQSGWBEUER-SJLPKXTDSA-N 2 1 355.482 3.086 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415120875 499866286 /nfs/dbraw/zinc/86/62/86/499866286.db2.gz GLXKGQSGWBEUER-SJLPKXTDSA-N 2 1 355.482 3.086 20 0 FGADMP CCCOc1c(Br)cc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000415127562 499867373 /nfs/dbraw/zinc/86/73/73/499867373.db2.gz IPZOBISHFSOBOS-UHFFFAOYSA-N 2 1 359.308 3.288 20 0 FGADMP CCCOc1c(Br)cc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000415127562 499867375 /nfs/dbraw/zinc/86/73/75/499867375.db2.gz IPZOBISHFSOBOS-UHFFFAOYSA-N 2 1 359.308 3.288 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000415134910 499868733 /nfs/dbraw/zinc/86/87/33/499868733.db2.gz WIJCRPSKXRBEQH-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1)C[C@H]1CCCCO1 ZINC000415413985 499892303 /nfs/dbraw/zinc/89/23/03/499892303.db2.gz ZHYRQFIMSHCUHJ-AZUAARDMSA-N 2 1 374.529 3.031 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@H]([NH3+])C2)cc1)C[C@@H]1CCCCO1 ZINC000415413986 499892318 /nfs/dbraw/zinc/89/23/18/499892318.db2.gz ZHYRQFIMSHCUHJ-ICSRJNTNSA-N 2 1 374.529 3.031 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886438 499924443 /nfs/dbraw/zinc/92/44/43/499924443.db2.gz UXWLBMUGRYFCOJ-QZTJIDSGSA-N 2 1 370.541 3.451 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000415902699 499926316 /nfs/dbraw/zinc/92/63/16/499926316.db2.gz DCOJGUYUPMAVGV-KRWDZBQOSA-N 2 1 366.509 3.364 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415922338 499928926 /nfs/dbraw/zinc/92/89/26/499928926.db2.gz SHPSVKBQFFUTDF-LAUBAEHRSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415929427 499929649 /nfs/dbraw/zinc/92/96/49/499929649.db2.gz HAXJCBPXKRZPHM-HXUWFJFHSA-N 2 1 352.482 3.192 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415942214 499931143 /nfs/dbraw/zinc/93/11/43/499931143.db2.gz IRMNUNWPLVADFA-JXFKEZNVSA-N 2 1 352.482 3.191 20 0 FGADMP C[N@@H+](CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)C1CCCCC1 ZINC000415950016 499932470 /nfs/dbraw/zinc/93/24/70/499932470.db2.gz CRWNBNGEOCGOND-UHFFFAOYSA-N 2 1 362.493 3.248 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415963576 499934195 /nfs/dbraw/zinc/93/41/95/499934195.db2.gz VUQXXNQDAOPUJZ-ZDUSSCGKSA-N 2 1 372.435 3.360 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000415966320 499934505 /nfs/dbraw/zinc/93/45/05/499934505.db2.gz ZGHFRXVEFOAPEY-MSOLQXFVSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000415966320 499934508 /nfs/dbraw/zinc/93/45/08/499934508.db2.gz ZGHFRXVEFOAPEY-MSOLQXFVSA-N 2 1 358.873 3.366 20 0 FGADMP CC(C)[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000415974463 499935973 /nfs/dbraw/zinc/93/59/73/499935973.db2.gz LKZNWPOUGRBIAT-NRFANRHFSA-N 2 1 366.509 3.350 20 0 FGADMP C[N@@H+](CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)C1CCCC1 ZINC000415975646 499936347 /nfs/dbraw/zinc/93/63/47/499936347.db2.gz UFYOBHAHOAJDAC-UHFFFAOYSA-N 2 1 358.408 3.160 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000413284443 499937111 /nfs/dbraw/zinc/93/71/11/499937111.db2.gz BGVRTIIAVIXPBL-BRWVUGGUSA-N 2 1 361.555 3.435 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000415993060 499938646 /nfs/dbraw/zinc/93/86/46/499938646.db2.gz SISKTBHRGJBDRE-UHFFFAOYSA-N 2 1 352.482 3.064 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415994890 499938880 /nfs/dbraw/zinc/93/88/80/499938880.db2.gz JELOJWNTPMYLEC-HXUWFJFHSA-N 2 1 350.466 3.028 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000429044343 499993834 /nfs/dbraw/zinc/99/38/34/499993834.db2.gz UGLAEWDHZFXKRJ-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)CCC2)c1 ZINC000429044343 499993837 /nfs/dbraw/zinc/99/38/37/499993837.db2.gz UGLAEWDHZFXKRJ-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)CCC2)c1 ZINC000429044343 499993841 /nfs/dbraw/zinc/99/38/41/499993841.db2.gz UGLAEWDHZFXKRJ-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137838 500010424 /nfs/dbraw/zinc/01/04/24/500010424.db2.gz UIKWKYOXEKYTTK-FGTMMUONSA-N 2 1 350.890 3.013 20 0 FGADMP C[C@@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417229978 500011882 /nfs/dbraw/zinc/01/18/82/500011882.db2.gz YMXFWBXEPMFJMS-KRWDZBQOSA-N 2 1 360.546 3.378 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)c1ccccc1F)c1ccccc1 ZINC000429240367 500030515 /nfs/dbraw/zinc/03/05/15/500030515.db2.gz XBQPFBWEBGEKKB-IBGZPJMESA-N 2 1 357.473 3.070 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544554 500097903 /nfs/dbraw/zinc/09/79/03/500097903.db2.gz YQTGOIYIKJMVHB-GJZGRUSLSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544554 500097907 /nfs/dbraw/zinc/09/79/07/500097907.db2.gz YQTGOIYIKJMVHB-GJZGRUSLSA-N 2 1 361.313 3.149 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425435736 500105813 /nfs/dbraw/zinc/10/58/13/500105813.db2.gz UHLJQZIJGVEUAZ-AZUAARDMSA-N 2 1 368.525 3.370 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@@H](C)C1 ZINC000425435736 500105817 /nfs/dbraw/zinc/10/58/17/500105817.db2.gz UHLJQZIJGVEUAZ-AZUAARDMSA-N 2 1 368.525 3.370 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000425445778 500108496 /nfs/dbraw/zinc/10/84/96/500108496.db2.gz NKIRJJURZDKTIV-VJBWXMMDSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000425445778 500108498 /nfs/dbraw/zinc/10/84/98/500108498.db2.gz NKIRJJURZDKTIV-VJBWXMMDSA-N 2 1 350.506 3.044 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000416809628 500125803 /nfs/dbraw/zinc/12/58/03/500125803.db2.gz JIHBSAPCXOKIOH-QZTJIDSGSA-N 2 1 358.486 3.005 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000421781979 500149839 /nfs/dbraw/zinc/14/98/39/500149839.db2.gz ZWFUMRQMXIFFHQ-ZCNNSNEGSA-N 2 1 361.574 3.077 20 0 FGADMP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296125 506179550 /nfs/dbraw/zinc/17/95/50/506179550.db2.gz RGGOVPOXNPQNDT-MZYLBHOOSA-N 2 1 366.505 3.310 20 0 FGADMP O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296125 506179554 /nfs/dbraw/zinc/17/95/54/506179554.db2.gz RGGOVPOXNPQNDT-MZYLBHOOSA-N 2 1 366.505 3.310 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417744474 500162394 /nfs/dbraw/zinc/16/23/94/500162394.db2.gz YOLKOBXXSMCXLX-FQEVSTJZSA-N 2 1 365.481 3.124 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[C@H]3CCC[NH2+]3)cc2)C1 ZINC000416966269 500168789 /nfs/dbraw/zinc/16/87/89/500168789.db2.gz FMJVPSODGIFNSN-GHTZIAJQSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968529 500169392 /nfs/dbraw/zinc/16/93/92/500169392.db2.gz JJGHAKHADSRNJK-LVCYWYKZSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000416973195 500171391 /nfs/dbraw/zinc/17/13/91/500171391.db2.gz UIEYFDWTHKVYHE-RXVVDRJESA-N 2 1 374.573 3.433 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000416976127 500172699 /nfs/dbraw/zinc/17/26/99/500172699.db2.gz NWVUMXPOFRTUFI-WIYYLYMNSA-N 2 1 372.557 3.392 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000416981034 500174022 /nfs/dbraw/zinc/17/40/22/500174022.db2.gz UOYDHABDMWFVMY-WIYYLYMNSA-N 2 1 372.557 3.392 20 0 FGADMP C[C@H](CCNC(=O)N(CC[NH3+])Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417823251 500179010 /nfs/dbraw/zinc/17/90/10/500179010.db2.gz YHQOZQNJWOHQEX-LJQANCHMSA-N 2 1 368.525 3.068 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000430020602 500182113 /nfs/dbraw/zinc/18/21/13/500182113.db2.gz HKYRVAJQNFLLRV-SFHVURJKSA-N 2 1 356.514 3.483 20 0 FGADMP CCCN(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000417852229 500184347 /nfs/dbraw/zinc/18/43/47/500184347.db2.gz GYXDICIKJAFEGA-DNVCBOLYSA-N 2 1 355.486 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000417852264 500184513 /nfs/dbraw/zinc/18/45/13/500184513.db2.gz GZLAOXUEYSPXMA-CABCVRRESA-N 2 1 355.486 3.011 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417889582 500193062 /nfs/dbraw/zinc/19/30/62/500193062.db2.gz YUCXMVUPUKPEME-KRWDZBQOSA-N 2 1 371.550 3.452 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000417889582 500193064 /nfs/dbraw/zinc/19/30/64/500193064.db2.gz YUCXMVUPUKPEME-KRWDZBQOSA-N 2 1 371.550 3.452 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCOC[C@H](C3CCC3)C2)CC1 ZINC000430116902 500195476 /nfs/dbraw/zinc/19/54/76/500195476.db2.gz DMWBGQYKLSZTSM-JOCHJYFZSA-N 2 1 371.569 3.467 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418177566 500243158 /nfs/dbraw/zinc/24/31/58/500243158.db2.gz HUXIRGXIDDBEIC-RLFYNMQTSA-N 2 1 366.937 3.102 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179576 500243454 /nfs/dbraw/zinc/24/34/54/500243454.db2.gz JNJGACBGSKTACB-CRAIPNDOSA-N 2 1 366.937 3.022 20 0 FGADMP Cc1[nH+]cc(CNc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)n1C ZINC000582312336 506184545 /nfs/dbraw/zinc/18/45/45/506184545.db2.gz UTVHCUUMEGEMBB-UHFFFAOYSA-N 2 1 355.486 3.155 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000418191375 500246342 /nfs/dbraw/zinc/24/63/42/500246342.db2.gz KPLMVJQKGVKEGA-FVJLSDCUSA-N 2 1 366.509 3.169 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)c1ccc(Cl)cc1 ZINC000418192321 500246938 /nfs/dbraw/zinc/24/69/38/500246938.db2.gz YKJIOCBNUKERQJ-FHLIZLRMSA-N 2 1 366.937 3.020 20 0 FGADMP CCCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000418227718 500252814 /nfs/dbraw/zinc/25/28/14/500252814.db2.gz AMPSGUQIPPEUNE-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559641 500253952 /nfs/dbraw/zinc/25/39/52/500253952.db2.gz UCAUJVVLTAXNBY-RXVVDRJESA-N 2 1 365.521 3.294 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559641 500253955 /nfs/dbraw/zinc/25/39/55/500253955.db2.gz UCAUJVVLTAXNBY-RXVVDRJESA-N 2 1 365.521 3.294 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418300987 500260008 /nfs/dbraw/zinc/26/00/08/500260008.db2.gz WZXXHDKTRIAPMG-UHFFFAOYSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418298925 500260113 /nfs/dbraw/zinc/26/01/13/500260113.db2.gz RBAFAVMKPVIZPG-AZUAARDMSA-N 2 1 372.557 3.343 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641750 500264871 /nfs/dbraw/zinc/26/48/71/500264871.db2.gz UBYTWLPAAMOUIW-DYVFJYSZSA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641750 500264868 /nfs/dbraw/zinc/26/48/68/500264868.db2.gz UBYTWLPAAMOUIW-DYVFJYSZSA-N 2 1 370.324 3.328 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337981 500264861 /nfs/dbraw/zinc/26/48/61/500264861.db2.gz YQOWSZSZBOXFGQ-LSTHTHJFSA-N 2 1 360.546 3.324 20 0 FGADMP CCCN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418343889 500265489 /nfs/dbraw/zinc/26/54/89/500265489.db2.gz RKKFDYPMJTXRBP-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418352003 500267026 /nfs/dbraw/zinc/26/70/26/500267026.db2.gz MBNMBNHGHBJAIF-PXNSSMCTSA-N 2 1 360.546 3.183 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418409476 500273419 /nfs/dbraw/zinc/27/34/19/500273419.db2.gz AIESOVRXSNWKAR-DFQSSKMNSA-N 2 1 360.546 3.054 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418453770 500278604 /nfs/dbraw/zinc/27/86/04/500278604.db2.gz ZLSSVTGNOLYCBT-MISYRCLQSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418488876 500282839 /nfs/dbraw/zinc/28/28/39/500282839.db2.gz KYIREYFDWVHAGK-UWJYYQICSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)(N(C)C)C1 ZINC000422738416 500292579 /nfs/dbraw/zinc/29/25/79/500292579.db2.gz JBLBUSFGKCLXOT-IVOMFYJKSA-N 2 1 357.542 3.342 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2CC)C1 ZINC000418643134 500300122 /nfs/dbraw/zinc/30/01/22/500300122.db2.gz BEQALWAUVALZOU-MJGOQNOKSA-N 2 1 369.513 3.054 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422826392 500302830 /nfs/dbraw/zinc/30/28/30/500302830.db2.gz LGARTUXAAHFDPK-NSHDSACASA-N 2 1 354.376 3.036 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000422850972 500305241 /nfs/dbraw/zinc/30/52/41/500305241.db2.gz WMBLFHNGAMALMP-QGZVFWFLSA-N 2 1 352.526 3.206 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860228 500306531 /nfs/dbraw/zinc/30/65/31/500306531.db2.gz LCQSXZKTWRXPQW-HGSOSGBHSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860228 500306532 /nfs/dbraw/zinc/30/65/32/500306532.db2.gz LCQSXZKTWRXPQW-HGSOSGBHSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860228 500306536 /nfs/dbraw/zinc/30/65/36/500306536.db2.gz LCQSXZKTWRXPQW-HGSOSGBHSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884146 500310087 /nfs/dbraw/zinc/31/00/87/500310087.db2.gz WIFAIPAXOWBTBT-YOEHRIQHSA-N 2 1 367.331 3.085 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000418750129 500318021 /nfs/dbraw/zinc/31/80/21/500318021.db2.gz NNZRQVQOLIBXMN-HLAWJBBLSA-N 2 1 372.557 3.213 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)CC1 ZINC000422927670 500318338 /nfs/dbraw/zinc/31/83/38/500318338.db2.gz ZNLFWXXMPWSSDK-WMZHIEFXSA-N 2 1 366.553 3.195 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952075 500322301 /nfs/dbraw/zinc/32/23/01/500322301.db2.gz BNMPAJHIVCARHT-KBXCAEBGSA-N 2 1 370.884 3.481 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000431011174 500322535 /nfs/dbraw/zinc/32/25/35/500322535.db2.gz BILPCBYOCHPUOA-GUDVDZBRSA-N 2 1 373.541 3.372 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000422977317 500326016 /nfs/dbraw/zinc/32/60/16/500326016.db2.gz JPUGYLOKPWKMKH-OJAHFUOMSA-N 2 1 361.530 3.142 20 0 FGADMP COc1ccc([C@H](CN[C@@H](C)C[C@@H]2CCCCC[NH2+]2)[NH+](C)C)cc1OC ZINC000422985487 500327327 /nfs/dbraw/zinc/32/73/27/500327327.db2.gz FAQYCUQZTIEJOE-WDSOQIARSA-N 2 1 363.546 3.207 20 0 FGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000431068899 500331253 /nfs/dbraw/zinc/33/12/53/500331253.db2.gz USDWQYUVCYSGOO-CABCVRRESA-N 2 1 350.507 3.213 20 0 FGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000431068899 500331255 /nfs/dbraw/zinc/33/12/55/500331255.db2.gz USDWQYUVCYSGOO-CABCVRRESA-N 2 1 350.507 3.213 20 0 FGADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025137 500332269 /nfs/dbraw/zinc/33/22/69/500332269.db2.gz KTJMEJQFMIKPSM-JZWVFAODSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025137 500332272 /nfs/dbraw/zinc/33/22/72/500332272.db2.gz KTJMEJQFMIKPSM-JZWVFAODSA-N 2 1 365.521 3.352 20 0 FGADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077520 500339073 /nfs/dbraw/zinc/33/90/73/500339073.db2.gz UDGUVRMWHIJCGZ-DUXKGJEZSA-N 2 1 353.535 3.338 20 0 FGADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077520 500339076 /nfs/dbraw/zinc/33/90/76/500339076.db2.gz UDGUVRMWHIJCGZ-DUXKGJEZSA-N 2 1 353.535 3.338 20 0 FGADMP CCC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000426990383 500342101 /nfs/dbraw/zinc/34/21/01/500342101.db2.gz HYTISTDWMOJMNL-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP CN(C)C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103282 500342344 /nfs/dbraw/zinc/34/23/44/500342344.db2.gz GFKIXWHBBKLYJG-RZUBCFFCSA-N 2 1 369.484 3.274 20 0 FGADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCC[NH2+]1 ZINC000423127643 500345881 /nfs/dbraw/zinc/34/58/81/500345881.db2.gz CGTQQNWQFLFDLL-CEMLEFRQSA-N 3 1 371.569 3.035 20 0 FGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423191815 500353485 /nfs/dbraw/zinc/35/34/85/500353485.db2.gz UDMCZLFJFIRNOX-MRXNPFEDSA-N 2 1 367.497 3.196 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423316202 500363278 /nfs/dbraw/zinc/36/32/78/500363278.db2.gz ASAGLRISZCLTKD-UWJYYQICSA-N 2 1 351.494 3.443 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000423353493 500366647 /nfs/dbraw/zinc/36/66/47/500366647.db2.gz DJYNPNLSYRGWAL-RBUKOAKNSA-N 2 1 357.542 3.175 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000423353584 500366711 /nfs/dbraw/zinc/36/67/11/500366711.db2.gz LYMWEZDDMUJSGB-DYESRHJHSA-N 2 1 351.494 3.491 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000423360361 500367480 /nfs/dbraw/zinc/36/74/80/500367480.db2.gz LHJOPGKPCXBYEB-YLJYHZDGSA-N 2 1 351.494 3.014 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427273105 500376058 /nfs/dbraw/zinc/37/60/58/500376058.db2.gz HLPNRNCDOTUPAQ-RBUKOAKNSA-N 2 1 357.542 3.457 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427273103 500376324 /nfs/dbraw/zinc/37/63/24/500376324.db2.gz HLPNRNCDOTUPAQ-OALUTQOASA-N 2 1 357.542 3.457 20 0 FGADMP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000427288522 500377761 /nfs/dbraw/zinc/37/77/61/500377761.db2.gz PVKSPORJSFDMQV-ZVDOUQERSA-N 2 1 357.542 3.450 20 0 FGADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423495260 500379563 /nfs/dbraw/zinc/37/95/63/500379563.db2.gz UFQATZCSBUHTKD-FFSVYQOJSA-N 2 1 371.344 3.200 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)F)cc1 ZINC000423510150 500380509 /nfs/dbraw/zinc/38/05/09/500380509.db2.gz MFJAIQVLSJNVQJ-ODIFPOPNSA-N 2 1 353.457 3.155 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000423518027 500381420 /nfs/dbraw/zinc/38/14/20/500381420.db2.gz ZAUXIEQGGAXLRR-WTOYTKOKSA-N 2 1 352.526 3.144 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000423805886 500402920 /nfs/dbraw/zinc/40/29/20/500402920.db2.gz HNURYUBWVKXARJ-UHFFFAOYSA-N 2 1 356.308 3.214 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811575 500404089 /nfs/dbraw/zinc/40/40/89/500404089.db2.gz CBPIBRFYIOBZPL-CMKODMSKSA-N 2 1 357.885 3.076 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423811575 500404093 /nfs/dbraw/zinc/40/40/93/500404093.db2.gz CBPIBRFYIOBZPL-CMKODMSKSA-N 2 1 357.885 3.076 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297909 500436848 /nfs/dbraw/zinc/43/68/48/500436848.db2.gz GNZGOYJDCKGPST-IRLDBZIGSA-N 2 1 356.510 3.257 20 0 FGADMP Cc1ccc([C@@H]2CSCC[N@@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420299604 500437035 /nfs/dbraw/zinc/43/70/35/500437035.db2.gz JCHFANCMHGROAS-ACRUOGEOSA-N 2 1 356.535 3.016 20 0 FGADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420299604 500437036 /nfs/dbraw/zinc/43/70/36/500437036.db2.gz JCHFANCMHGROAS-ACRUOGEOSA-N 2 1 356.535 3.016 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324856 500441508 /nfs/dbraw/zinc/44/15/08/500441508.db2.gz HROLGVIFKYODJB-JKSUJKDBSA-N 2 1 360.889 3.254 20 0 FGADMP O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330547 500442606 /nfs/dbraw/zinc/44/26/06/500442606.db2.gz AUQXNJFNIZRBCA-ACRUOGEOSA-N 2 1 355.526 3.062 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000420333212 500443115 /nfs/dbraw/zinc/44/31/15/500443115.db2.gz SMLMEKPFDHFJTB-WDSOQIARSA-N 2 1 361.505 3.057 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340155 500444817 /nfs/dbraw/zinc/44/48/17/500444817.db2.gz MSOOQJBYQJNIEX-HKBOAZHASA-N 2 1 357.542 3.212 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346477 500445513 /nfs/dbraw/zinc/44/55/13/500445513.db2.gz YJFQMIPRMANHSQ-WOJBJXKFSA-N 2 1 357.542 3.135 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345011 500445767 /nfs/dbraw/zinc/44/57/67/500445767.db2.gz VOBDQJCNHDXNJM-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000420359387 500447818 /nfs/dbraw/zinc/44/78/18/500447818.db2.gz JZBOHGZRZZHYLT-LEWJYISDSA-N 2 1 365.521 3.064 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 ZINC000420359675 500448049 /nfs/dbraw/zinc/44/80/49/500448049.db2.gz JZBOHGZRZZHYLT-SFTDATJTSA-N 2 1 365.521 3.064 20 0 FGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000420365109 500448754 /nfs/dbraw/zinc/44/87/54/500448754.db2.gz KUASIDWBPRHEGO-INIZCTEOSA-N 2 1 368.319 3.275 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420376277 500450342 /nfs/dbraw/zinc/45/03/42/500450342.db2.gz JUFUQFYBOUGSJM-LRDDRELGSA-N 2 1 353.392 3.154 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420377848 500450757 /nfs/dbraw/zinc/45/07/57/500450757.db2.gz LKDBHFCLPXRMGL-PKOBYXMFSA-N 2 1 351.560 3.450 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1 ZINC000420379588 500450765 /nfs/dbraw/zinc/45/07/65/500450765.db2.gz BFPVKEHMNXFKEJ-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385046 500452667 /nfs/dbraw/zinc/45/26/67/500452667.db2.gz FCRPQFNNFRWVGZ-ACRUOGEOSA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385046 500452668 /nfs/dbraw/zinc/45/26/68/500452668.db2.gz FCRPQFNNFRWVGZ-ACRUOGEOSA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000420393739 500454894 /nfs/dbraw/zinc/45/48/94/500454894.db2.gz QWYHLBKVTIOSLM-FUHWJXTLSA-N 2 1 351.560 3.450 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420411134 500457466 /nfs/dbraw/zinc/45/74/66/500457466.db2.gz XFJYUQMEDIBUQO-NDXORKPFSA-N 2 1 370.541 3.091 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cncn3C(C)C)CC2)cs1 ZINC000424136581 500459360 /nfs/dbraw/zinc/45/93/60/500459360.db2.gz AUZPMSDVJKNRFW-UHFFFAOYSA-N 2 1 361.559 3.485 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(C[N@@H+]4CCO[C@@H](C)C4)c3)C[C@H]2C1 ZINC000424273715 500479888 /nfs/dbraw/zinc/47/98/88/500479888.db2.gz XIYGUXMEEYIECB-WVCANSMHSA-N 2 1 358.526 3.201 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(C[N@H+]4CCO[C@@H](C)C4)c3)C[C@H]2C1 ZINC000424273715 500479889 /nfs/dbraw/zinc/47/98/89/500479889.db2.gz XIYGUXMEEYIECB-WVCANSMHSA-N 2 1 358.526 3.201 20 0 FGADMP CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428206591 500481189 /nfs/dbraw/zinc/48/11/89/500481189.db2.gz LBXJCAMWVHYTNV-RDJZCZTQSA-N 2 1 364.559 3.434 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(F)c(Cl)c3)nn1)CC[NH2+]CC2 ZINC000424370090 500492467 /nfs/dbraw/zinc/49/24/67/500492467.db2.gz CCYYIYHWBBIZNQ-ZDUSSCGKSA-N 2 1 363.868 3.024 20 0 FGADMP COc1c(Br)cccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424371229 500493303 /nfs/dbraw/zinc/49/33/03/500493303.db2.gz DDMHXQBIIZFDOB-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC000428322448 500495542 /nfs/dbraw/zinc/49/55/42/500495542.db2.gz UENUXJDPLNPIJW-DLBZAZTESA-N 2 1 371.504 3.478 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1Br ZINC000432357434 500504445 /nfs/dbraw/zinc/50/44/45/500504445.db2.gz MAZMQQNLBWNFJT-OAHLLOKOSA-N 2 1 355.320 3.348 20 0 FGADMP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000428462051 500512619 /nfs/dbraw/zinc/51/26/19/500512619.db2.gz SVDBSEJMRWDDMZ-MYDTUXCISA-N 2 1 372.553 3.056 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413141 500512717 /nfs/dbraw/zinc/51/27/17/500512717.db2.gz KOAYSSUSAVPJPX-GIVPXCGWSA-N 2 1 360.542 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413141 500512719 /nfs/dbraw/zinc/51/27/19/500512719.db2.gz KOAYSSUSAVPJPX-GIVPXCGWSA-N 2 1 360.542 3.461 20 0 FGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432426242 500515298 /nfs/dbraw/zinc/51/52/98/500515298.db2.gz PTPPQWLYXKJOBI-HKUYNNGSSA-N 2 1 364.530 3.115 20 0 FGADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432426242 500515302 /nfs/dbraw/zinc/51/53/02/500515302.db2.gz PTPPQWLYXKJOBI-HKUYNNGSSA-N 2 1 364.530 3.115 20 0 FGADMP Cc1cc(CNC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857571 500516724 /nfs/dbraw/zinc/51/67/24/500516724.db2.gz ZVBGERBPRASCBQ-FXAWDEMLSA-N 2 1 352.482 3.161 20 0 FGADMP C[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542878 500523380 /nfs/dbraw/zinc/52/33/80/500523380.db2.gz FKFXJGZXKHXFAX-UGKGYDQZSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542878 500523381 /nfs/dbraw/zinc/52/33/81/500523381.db2.gz FKFXJGZXKHXFAX-UGKGYDQZSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000432521630 500526555 /nfs/dbraw/zinc/52/65/55/500526555.db2.gz ZDAOWBWKWZNQHK-LAUBAEHRSA-N 2 1 351.494 3.046 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000420931232 500534364 /nfs/dbraw/zinc/53/43/64/500534364.db2.gz GISJMXCDEKONEP-SIKLNZKXSA-N 2 1 371.569 3.261 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695588 500545209 /nfs/dbraw/zinc/54/52/09/500545209.db2.gz WSNMKIJTZIXTRT-ICSRJNTNSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695588 500545213 /nfs/dbraw/zinc/54/52/13/500545213.db2.gz WSNMKIJTZIXTRT-ICSRJNTNSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695588 500545216 /nfs/dbraw/zinc/54/52/16/500545216.db2.gz WSNMKIJTZIXTRT-ICSRJNTNSA-N 2 1 360.546 3.069 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719575 500548481 /nfs/dbraw/zinc/54/84/81/500548481.db2.gz JWRQXLKRUBQDHF-PZJWPPBQSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719575 500548484 /nfs/dbraw/zinc/54/84/84/500548484.db2.gz JWRQXLKRUBQDHF-PZJWPPBQSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1)C1CC1 ZINC000428719575 500548486 /nfs/dbraw/zinc/54/84/86/500548486.db2.gz JWRQXLKRUBQDHF-PZJWPPBQSA-N 2 1 355.526 3.227 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000432797040 500565289 /nfs/dbraw/zinc/56/52/89/500565289.db2.gz JUGMBACCJJKIKK-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000432797040 500565290 /nfs/dbraw/zinc/56/52/90/500565290.db2.gz JUGMBACCJJKIKK-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797040 500565291 /nfs/dbraw/zinc/56/52/91/500565291.db2.gz JUGMBACCJJKIKK-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797040 500565292 /nfs/dbraw/zinc/56/52/92/500565292.db2.gz JUGMBACCJJKIKK-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(C)cc1 ZINC000570606372 506203968 /nfs/dbraw/zinc/20/39/68/506203968.db2.gz MVTZJJRROQKWQJ-NRFANRHFSA-N 2 1 369.557 3.233 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494540 506204247 /nfs/dbraw/zinc/20/42/47/506204247.db2.gz PCYHMWSJPHVQIQ-RXVVDRJESA-N 2 1 357.542 3.060 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@](C)([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000447446138 500607300 /nfs/dbraw/zinc/60/73/00/500607300.db2.gz HSKUUMHSNCMBDS-HYFFOGBASA-N 2 1 367.493 3.108 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@](C)([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000447446138 500607303 /nfs/dbraw/zinc/60/73/03/500607303.db2.gz HSKUUMHSNCMBDS-HYFFOGBASA-N 2 1 367.493 3.108 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764053 500621902 /nfs/dbraw/zinc/62/19/02/500621902.db2.gz DWVFYQSSTDUKQV-VXGBXAGGSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764053 500621906 /nfs/dbraw/zinc/62/19/06/500621906.db2.gz DWVFYQSSTDUKQV-VXGBXAGGSA-N 2 1 350.260 3.273 20 0 FGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000442878877 500638469 /nfs/dbraw/zinc/63/84/69/500638469.db2.gz VOXIXCYLJKHNEM-OAHLLOKOSA-N 2 1 355.473 3.273 20 0 FGADMP CCOc1c(Br)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442917245 500646755 /nfs/dbraw/zinc/64/67/55/500646755.db2.gz CVAFBBSESQBSQX-CYBMUJFWSA-N 2 1 371.319 3.417 20 0 FGADMP Cc1cc(NC[C@](C)(O)C[NH+]2CCOCC2)c2cc(Cl)cc(C)c2[nH+]1 ZINC000433398733 500686879 /nfs/dbraw/zinc/68/68/79/500686879.db2.gz HDZBSJYQMXECGH-IBGZPJMESA-N 2 1 363.889 3.000 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000443197178 500695061 /nfs/dbraw/zinc/69/50/61/500695061.db2.gz WYULHRUKAITVIS-LZQZEXGQSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000443197178 500695062 /nfs/dbraw/zinc/69/50/62/500695062.db2.gz WYULHRUKAITVIS-LZQZEXGQSA-N 2 1 350.478 3.376 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@@H]21 ZINC000570682864 506213596 /nfs/dbraw/zinc/21/35/96/506213596.db2.gz RHXMZOHHOWQLHB-GRGSLBFTSA-N 2 1 364.917 3.457 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@@H]21 ZINC000570682864 506213597 /nfs/dbraw/zinc/21/35/97/506213597.db2.gz RHXMZOHHOWQLHB-GRGSLBFTSA-N 2 1 364.917 3.457 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000448034286 500710711 /nfs/dbraw/zinc/71/07/11/500710711.db2.gz HCKBBOLWBQLTTK-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409904 500720477 /nfs/dbraw/zinc/72/04/77/500720477.db2.gz YHLQNLDTPJHPNR-PVAVHDDUSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409904 500720481 /nfs/dbraw/zinc/72/04/81/500720481.db2.gz YHLQNLDTPJHPNR-PVAVHDDUSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409904 500720485 /nfs/dbraw/zinc/72/04/85/500720485.db2.gz YHLQNLDTPJHPNR-PVAVHDDUSA-N 2 1 358.448 3.413 20 0 FGADMP COCC[N@H+](C)CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000443423668 500722800 /nfs/dbraw/zinc/72/28/00/500722800.db2.gz DJIDQANPKWDOTG-UHFFFAOYSA-N 2 1 352.276 3.378 20 0 FGADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000443423668 500722804 /nfs/dbraw/zinc/72/28/04/500722804.db2.gz DJIDQANPKWDOTG-UHFFFAOYSA-N 2 1 352.276 3.378 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000448424802 500759631 /nfs/dbraw/zinc/75/96/31/500759631.db2.gz LFNPBKGJDCZRLX-SFHVURJKSA-N 2 1 366.509 3.345 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424939 500759882 /nfs/dbraw/zinc/75/98/82/500759882.db2.gz HTVSOKXUEHSBLC-VQIMIIECSA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424939 500759885 /nfs/dbraw/zinc/75/98/85/500759885.db2.gz HTVSOKXUEHSBLC-VQIMIIECSA-N 2 1 365.949 3.427 20 0 FGADMP C[C@H](CC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716191 506215016 /nfs/dbraw/zinc/21/50/16/506215016.db2.gz BYMBNKVNYRBKNF-DYXWJJEUSA-N 2 1 371.569 3.429 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCc3ncsc3C2)CC1 ZINC000438377606 500778433 /nfs/dbraw/zinc/77/84/33/500778433.db2.gz XKALXOZSHGLKJQ-UHFFFAOYSA-N 2 1 356.539 3.233 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ncsc3C2)CC1 ZINC000438377606 500778434 /nfs/dbraw/zinc/77/84/34/500778434.db2.gz XKALXOZSHGLKJQ-UHFFFAOYSA-N 2 1 356.539 3.233 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cc(OC)cc(C)n2)[C@@H]1c1cnn(C)c1 ZINC000434020507 500782411 /nfs/dbraw/zinc/78/24/11/500782411.db2.gz GVAHELBTRYHFTN-LAUBAEHRSA-N 2 1 371.529 3.037 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438542640 500799161 /nfs/dbraw/zinc/79/91/61/500799161.db2.gz CMRZYQCHIVWYCP-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000438839811 500825518 /nfs/dbraw/zinc/82/55/18/500825518.db2.gz VXAFBPDZNFRJCO-ONZKCSKKSA-N 2 1 359.558 3.128 20 0 FGADMP O=C([C@H]1C[C@]12CC[NH2+]C2)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265574 500826619 /nfs/dbraw/zinc/82/66/19/500826619.db2.gz AYEBPTJGPCZNRD-IRLDBZIGSA-N 2 1 367.537 3.033 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000439180138 500866561 /nfs/dbraw/zinc/86/65/61/500866561.db2.gz AZUSICHGTXZWFJ-HSALFYBXSA-N 2 1 364.578 3.011 20 0 FGADMP c1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1-c1ccccc1 ZINC000444657811 500874241 /nfs/dbraw/zinc/87/42/41/500874241.db2.gz MAJXLDVHGRBTPR-UHFFFAOYSA-N 2 1 353.514 3.355 20 0 FGADMP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691810 500880172 /nfs/dbraw/zinc/88/01/72/500880172.db2.gz UOWMWNSPQZEOSO-KRWDZBQOSA-N 2 1 358.530 3.190 20 0 FGADMP C[C@H]([NH3+])CCC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000434689657 500880791 /nfs/dbraw/zinc/88/07/91/500880791.db2.gz XFJVYXOMXVHGLQ-IBGZPJMESA-N 2 1 353.510 3.275 20 0 FGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000434782002 500894229 /nfs/dbraw/zinc/89/42/29/500894229.db2.gz HKEYJDSHSNYJRA-LSTHTHJFSA-N 2 1 357.542 3.298 20 0 FGADMP COc1cccc2c(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cccc12 ZINC000449036095 500907394 /nfs/dbraw/zinc/90/73/94/500907394.db2.gz ITDSQXBZDHQPNQ-AVRDEDQJSA-N 2 1 367.537 3.306 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(I)cc1 ZINC000449078783 500919150 /nfs/dbraw/zinc/91/91/50/500919150.db2.gz YOCMIYRUEBPQRV-GFCCVEGCSA-N 2 1 369.250 3.222 20 0 FGADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449093312 500923527 /nfs/dbraw/zinc/92/35/27/500923527.db2.gz OOSTWONLAPKFSO-CYBMUJFWSA-N 2 1 361.313 3.197 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cccc(S(C)(=O)=O)c2)cc1 ZINC000449193546 500945002 /nfs/dbraw/zinc/94/50/02/500945002.db2.gz RCSXUIWDQZFESZ-HNNXBMFYSA-N 2 1 369.490 3.435 20 0 FGADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)cn2)cc1 ZINC000449205933 500947558 /nfs/dbraw/zinc/94/75/58/500947558.db2.gz KRTJOANZFWIYID-GOSISDBHSA-N 2 1 356.514 3.339 20 0 FGADMP COc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC(C)C)C3)cn2)cc1 ZINC000449205933 500947561 /nfs/dbraw/zinc/94/75/61/500947561.db2.gz KRTJOANZFWIYID-GOSISDBHSA-N 2 1 356.514 3.339 20 0 FGADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435369052 500960571 /nfs/dbraw/zinc/96/05/71/500960571.db2.gz CPPFHDSDMIGLIT-HNNXBMFYSA-N 2 1 360.420 3.458 20 0 FGADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OCC(F)(F)F ZINC000435369052 500960573 /nfs/dbraw/zinc/96/05/73/500960573.db2.gz CPPFHDSDMIGLIT-HNNXBMFYSA-N 2 1 360.420 3.458 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435375468 500961987 /nfs/dbraw/zinc/96/19/87/500961987.db2.gz MLEPMGDKRMHENZ-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000435375468 500961992 /nfs/dbraw/zinc/96/19/92/500961992.db2.gz MLEPMGDKRMHENZ-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375253 500962251 /nfs/dbraw/zinc/96/22/51/500962251.db2.gz ULLIHKCOSMWKEF-VQIMIIECSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375253 500962253 /nfs/dbraw/zinc/96/22/53/500962253.db2.gz ULLIHKCOSMWKEF-VQIMIIECSA-N 2 1 370.493 3.452 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC000435377422 500963329 /nfs/dbraw/zinc/96/33/29/500963329.db2.gz BHCNHDJQNWBMTA-DYVFJYSZSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@@H]1[NH3+] ZINC000435377422 500963331 /nfs/dbraw/zinc/96/33/31/500963331.db2.gz BHCNHDJQNWBMTA-DYVFJYSZSA-N 2 1 352.404 3.119 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCc1ccncc1 ZINC000435379593 500964040 /nfs/dbraw/zinc/96/40/40/500964040.db2.gz JUNDVIRGXCUBEE-UFYCRDLUSA-N 2 1 367.493 3.228 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384219 500965243 /nfs/dbraw/zinc/96/52/43/500965243.db2.gz LNYLTJZOOHPFGV-APWZRJJASA-N 2 1 355.482 3.228 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]12 ZINC000435387574 500965670 /nfs/dbraw/zinc/96/56/70/500965670.db2.gz ASMRHJVRWALUKB-VNQPRFMTSA-N 2 1 350.388 3.060 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1(C)C ZINC000449300768 500970753 /nfs/dbraw/zinc/97/07/53/500970753.db2.gz FSEYTYYQQWGQMJ-UHFFFAOYSA-N 3 1 366.638 3.281 20 0 FGADMP C[N@@H+]1CCN(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1(C)C ZINC000449300768 500970756 /nfs/dbraw/zinc/97/07/56/500970756.db2.gz FSEYTYYQQWGQMJ-UHFFFAOYSA-N 2 1 366.638 3.281 20 0 FGADMP C[N@H+]1CCN(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1(C)C ZINC000449300768 500970760 /nfs/dbraw/zinc/97/07/60/500970760.db2.gz FSEYTYYQQWGQMJ-UHFFFAOYSA-N 2 1 366.638 3.281 20 0 FGADMP C[C@H](Cc1ccccc1)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432431 500975011 /nfs/dbraw/zinc/97/50/11/500975011.db2.gz IRDOBAJHBHLDNZ-UYAOXDASSA-N 2 1 352.526 3.243 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325636 500977520 /nfs/dbraw/zinc/97/75/20/500977520.db2.gz OHEZDGQRGWTHQP-HDICACEKSA-N 2 1 364.505 3.224 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1F ZINC000449325636 500977521 /nfs/dbraw/zinc/97/75/21/500977521.db2.gz OHEZDGQRGWTHQP-HDICACEKSA-N 2 1 364.505 3.224 20 0 FGADMP C[N@@H+](CCN1CCN(Cc2ccccc2)CC1)Cc1cc2cccnc2o1 ZINC000449323483 500977591 /nfs/dbraw/zinc/97/75/91/500977591.db2.gz VNQCFLDOMPETEC-UHFFFAOYSA-N 2 1 364.493 3.077 20 0 FGADMP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1cc2cccnc2o1 ZINC000449323483 500977594 /nfs/dbraw/zinc/97/75/94/500977594.db2.gz VNQCFLDOMPETEC-UHFFFAOYSA-N 2 1 364.493 3.077 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345408 500982981 /nfs/dbraw/zinc/98/29/81/500982981.db2.gz VMGATZLOZHPFKK-QCFAMHMHSA-N 2 1 358.526 3.071 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000440184133 500985032 /nfs/dbraw/zinc/98/50/32/500985032.db2.gz HRDPNLDOKPKGBC-WOJBJXKFSA-N 2 1 364.578 3.157 20 0 FGADMP COc1ccccc1OCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615524 501002341 /nfs/dbraw/zinc/00/23/41/501002341.db2.gz JLQRENMUNGIGPT-IBGZPJMESA-N 2 1 355.482 3.113 20 0 FGADMP COc1ccccc1OCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435615524 501002345 /nfs/dbraw/zinc/00/23/45/501002345.db2.gz JLQRENMUNGIGPT-IBGZPJMESA-N 2 1 355.482 3.113 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435624192 501003815 /nfs/dbraw/zinc/00/38/15/501003815.db2.gz FAEOHHGGWIYMFI-KRWDZBQOSA-N 2 1 371.447 3.042 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@H]1CCC[NH2+]CC1 ZINC000435624192 501003817 /nfs/dbraw/zinc/00/38/17/501003817.db2.gz FAEOHHGGWIYMFI-KRWDZBQOSA-N 2 1 371.447 3.042 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435626802 501004559 /nfs/dbraw/zinc/00/45/59/501004559.db2.gz LKUHSDOJTOECGT-PKOBYXMFSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)[C@@H]1CCC[NH2+]CC1 ZINC000435626802 501004561 /nfs/dbraw/zinc/00/45/61/501004561.db2.gz LKUHSDOJTOECGT-PKOBYXMFSA-N 2 1 353.510 3.481 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692172 501012655 /nfs/dbraw/zinc/01/26/55/501012655.db2.gz FQRBZNKOVZGZHD-FUHWJXTLSA-N 2 1 361.555 3.093 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692172 501012657 /nfs/dbraw/zinc/01/26/57/501012657.db2.gz FQRBZNKOVZGZHD-FUHWJXTLSA-N 2 1 361.555 3.093 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498365 501018618 /nfs/dbraw/zinc/01/86/18/501018618.db2.gz LEYBKOIBJYSCNW-BAGYTPMASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498365 501018620 /nfs/dbraw/zinc/01/86/20/501018620.db2.gz LEYBKOIBJYSCNW-BAGYTPMASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498365 501018623 /nfs/dbraw/zinc/01/86/23/501018623.db2.gz LEYBKOIBJYSCNW-BAGYTPMASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498365 501018628 /nfs/dbraw/zinc/01/86/28/501018628.db2.gz LEYBKOIBJYSCNW-BAGYTPMASA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501680 501019723 /nfs/dbraw/zinc/01/97/23/501019723.db2.gz OCSWDLXKSBFUCY-WWNPGLIZSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501680 501019727 /nfs/dbraw/zinc/01/97/27/501019727.db2.gz OCSWDLXKSBFUCY-WWNPGLIZSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501680 501019730 /nfs/dbraw/zinc/01/97/30/501019730.db2.gz OCSWDLXKSBFUCY-WWNPGLIZSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000449501680 501019732 /nfs/dbraw/zinc/01/97/32/501019732.db2.gz OCSWDLXKSBFUCY-WWNPGLIZSA-N 2 1 369.553 3.056 20 0 FGADMP Cn1ccnc1[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449772259 501082598 /nfs/dbraw/zinc/08/25/98/501082598.db2.gz KSOHLMFRTFPGRH-PMACEKPBSA-N 2 1 370.541 3.388 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255237 501096310 /nfs/dbraw/zinc/09/63/10/501096310.db2.gz UMWMVKRNLWNFEM-UTKZUKDTSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255237 501096313 /nfs/dbraw/zinc/09/63/13/501096313.db2.gz UMWMVKRNLWNFEM-UTKZUKDTSA-N 2 1 367.468 3.280 20 0 FGADMP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000450467278 501128019 /nfs/dbraw/zinc/12/80/19/501128019.db2.gz IKRYFNUSHOOTTM-WMZHIEFXSA-N 2 1 367.537 3.185 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392182 501132001 /nfs/dbraw/zinc/13/20/01/501132001.db2.gz IOVNDHKGRSWNIZ-LIRRHRJNSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392182 501132004 /nfs/dbraw/zinc/13/20/04/501132004.db2.gz IOVNDHKGRSWNIZ-LIRRHRJNSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392182 501132008 /nfs/dbraw/zinc/13/20/08/501132008.db2.gz IOVNDHKGRSWNIZ-LIRRHRJNSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392182 501132013 /nfs/dbraw/zinc/13/20/13/501132013.db2.gz IOVNDHKGRSWNIZ-LIRRHRJNSA-N 2 1 363.452 3.242 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448183 501140767 /nfs/dbraw/zinc/14/07/67/501140767.db2.gz KLEWMRYFXYJZSN-RTWAWAEBSA-N 2 1 360.542 3.159 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448183 501140771 /nfs/dbraw/zinc/14/07/71/501140771.db2.gz KLEWMRYFXYJZSN-RTWAWAEBSA-N 2 1 360.542 3.159 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446625384 501143625 /nfs/dbraw/zinc/14/36/25/501143625.db2.gz SYCHRPQGXFWXNL-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450763575 501203644 /nfs/dbraw/zinc/20/36/44/501203644.db2.gz UEDSHYBUYZJFQM-QUCCMNQESA-N 2 1 366.571 3.470 20 0 FGADMP C[N@H+](C[C@@H]1CCCCC1(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781016 501207371 /nfs/dbraw/zinc/20/73/71/501207371.db2.gz RUUYBEFWEYLFBX-OALUTQOASA-N 2 1 352.469 3.381 20 0 FGADMP C[N@@H+](C[C@@H]1CCCCC1(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781016 501207372 /nfs/dbraw/zinc/20/73/72/501207372.db2.gz RUUYBEFWEYLFBX-OALUTQOASA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@@H]1CCCCC1(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450781016 501207373 /nfs/dbraw/zinc/20/73/73/501207373.db2.gz RUUYBEFWEYLFBX-OALUTQOASA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@@H]1CCCCC1(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450781016 501207374 /nfs/dbraw/zinc/20/73/74/501207374.db2.gz RUUYBEFWEYLFBX-OALUTQOASA-N 2 1 352.469 3.381 20 0 FGADMP CC[NH+](Cc1cc(C[N@H+](CC)[C@@H]2CCOC2)ccc1F)[C@H]1CCOC1 ZINC000451047664 501241814 /nfs/dbraw/zinc/24/18/14/501241814.db2.gz CZIXMKMQOZJZJU-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451047664 501241815 /nfs/dbraw/zinc/24/18/15/501241815.db2.gz CZIXMKMQOZJZJU-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451047664 501241816 /nfs/dbraw/zinc/24/18/16/501241816.db2.gz CZIXMKMQOZJZJU-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccncc1 ZINC000453067937 501261975 /nfs/dbraw/zinc/26/19/75/501261975.db2.gz SGSHUFAZBCPQHV-JOCHJYFZSA-N 2 1 352.526 3.460 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453067546 501262145 /nfs/dbraw/zinc/26/21/45/501262145.db2.gz WUTCOPCNUQAXCM-QFIPXVFZSA-N 2 1 371.525 3.016 20 0 FGADMP COCCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453077059 501263734 /nfs/dbraw/zinc/26/37/34/501263734.db2.gz VYYQYZNLCGTBRO-ZRBLBEILSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453077059 501263738 /nfs/dbraw/zinc/26/37/38/501263738.db2.gz VYYQYZNLCGTBRO-ZRBLBEILSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453077059 501263739 /nfs/dbraw/zinc/26/37/39/501263739.db2.gz VYYQYZNLCGTBRO-ZRBLBEILSA-N 2 1 371.569 3.130 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457632419 501272432 /nfs/dbraw/zinc/27/24/32/501272432.db2.gz FQPXQZZCUOLAGC-NRFANRHFSA-N 2 1 372.557 3.084 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453207934 501291317 /nfs/dbraw/zinc/29/13/17/501291317.db2.gz BYDNDIJXIDSGER-ICSRJNTNSA-N 2 1 352.478 3.110 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(=O)n1C ZINC000453209095 501292104 /nfs/dbraw/zinc/29/21/04/501292104.db2.gz CTABQCGIYQXIMH-BDTNDASRSA-N 2 1 365.521 3.227 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000455483503 501315506 /nfs/dbraw/zinc/31/55/06/501315506.db2.gz YDOMPDJMCAVAPL-VTHDOGFWSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483503 501315509 /nfs/dbraw/zinc/31/55/09/501315509.db2.gz YDOMPDJMCAVAPL-VTHDOGFWSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455483503 501315510 /nfs/dbraw/zinc/31/55/10/501315510.db2.gz YDOMPDJMCAVAPL-VTHDOGFWSA-N 2 1 372.557 3.067 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457920490 501334865 /nfs/dbraw/zinc/33/48/65/501334865.db2.gz FJIMAUWVBGFIFA-CALCHBBNSA-N 2 1 354.583 3.163 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccco1 ZINC000455611975 501347092 /nfs/dbraw/zinc/34/70/92/501347092.db2.gz FWKRFBFGGSVXSI-GOEBONIOSA-N 2 1 355.442 3.487 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482287 506248539 /nfs/dbraw/zinc/24/85/39/506248539.db2.gz YXHDESLHEXQSRM-QIJUGHKUSA-N 2 1 368.521 3.226 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1Cl ZINC000611664391 506249108 /nfs/dbraw/zinc/24/91/08/506249108.db2.gz GSZXFHLIJYGLEP-GOSISDBHSA-N 2 1 366.937 3.070 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1 ZINC000452025215 501420622 /nfs/dbraw/zinc/42/06/22/501420622.db2.gz QRNOLDBKCAKFTL-FGTMMUONSA-N 2 1 355.448 3.091 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000458381086 501431942 /nfs/dbraw/zinc/43/19/42/501431942.db2.gz VOPCQUPYLKDMNN-GCJKJVERSA-N 2 1 372.557 3.243 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1)C(C)C ZINC000452174549 501453174 /nfs/dbraw/zinc/45/31/74/501453174.db2.gz QIHWYEGNKURYKD-SFHVURJKSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1)C(C)C ZINC000452174549 501453176 /nfs/dbraw/zinc/45/31/76/501453176.db2.gz QIHWYEGNKURYKD-SFHVURJKSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1)C(C)C ZINC000452174549 501453177 /nfs/dbraw/zinc/45/31/77/501453177.db2.gz QIHWYEGNKURYKD-SFHVURJKSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000456317121 501496454 /nfs/dbraw/zinc/49/64/54/501496454.db2.gz GFHIXBCRDZIBHF-IRFPFTSISA-N 2 1 369.553 3.071 20 0 FGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458654957 501499983 /nfs/dbraw/zinc/49/99/83/501499983.db2.gz BWDGGRFZDPKMOH-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000454344508 501519099 /nfs/dbraw/zinc/51/90/99/501519099.db2.gz URSUHSMTGUOQPW-NRFANRHFSA-N 2 1 372.557 3.216 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@@H]1C ZINC000458933508 501561664 /nfs/dbraw/zinc/56/16/64/501561664.db2.gz IRAAEPDNRJEFHQ-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972857 501568080 /nfs/dbraw/zinc/56/80/80/501568080.db2.gz LGCZSFFSCRQFPD-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972857 501568082 /nfs/dbraw/zinc/56/80/82/501568082.db2.gz LGCZSFFSCRQFPD-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972857 501568083 /nfs/dbraw/zinc/56/80/83/501568083.db2.gz LGCZSFFSCRQFPD-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@@H+](CCCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000459149666 501604088 /nfs/dbraw/zinc/60/40/88/501604088.db2.gz GSMYGXRPARFKCJ-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363557 501639581 /nfs/dbraw/zinc/63/95/81/501639581.db2.gz RJDYXVXNOPAGEW-XQFWAAQXSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363557 501639582 /nfs/dbraw/zinc/63/95/82/501639582.db2.gz RJDYXVXNOPAGEW-XQFWAAQXSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363557 501639583 /nfs/dbraw/zinc/63/95/83/501639583.db2.gz RJDYXVXNOPAGEW-XQFWAAQXSA-N 2 1 369.553 3.360 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCc2c[nH+]cn2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000459428032 501651719 /nfs/dbraw/zinc/65/17/19/501651719.db2.gz AXWCHQCFDNKOIP-QZTJIDSGSA-N 2 1 350.869 3.180 20 0 FGADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459440851 501654653 /nfs/dbraw/zinc/65/46/53/501654653.db2.gz XTHDWRGYYQYIBM-FNNXTJRKSA-N 2 1 354.494 3.181 20 0 FGADMP CNC(=O)CC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459537654 501672420 /nfs/dbraw/zinc/67/24/20/501672420.db2.gz SBOCPNNDFPXPJR-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000457457429 501701939 /nfs/dbraw/zinc/70/19/39/501701939.db2.gz NQTKMAIVSPVTHG-ICSRJNTNSA-N 2 1 360.546 3.101 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2C2CCC2)CC1 ZINC000477623557 501741264 /nfs/dbraw/zinc/74/12/64/501741264.db2.gz AYSOOZNZFDVJNR-QFIPXVFZSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000477623557 501741268 /nfs/dbraw/zinc/74/12/68/501741268.db2.gz AYSOOZNZFDVJNR-QFIPXVFZSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000477623557 501741269 /nfs/dbraw/zinc/74/12/69/501741269.db2.gz AYSOOZNZFDVJNR-QFIPXVFZSA-N 2 1 369.553 3.294 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474294384 501778913 /nfs/dbraw/zinc/77/89/13/501778913.db2.gz UTRZXOZISCEBNG-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474294384 501778917 /nfs/dbraw/zinc/77/89/17/501778917.db2.gz UTRZXOZISCEBNG-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718457 501780878 /nfs/dbraw/zinc/78/08/78/501780878.db2.gz SGKMWJQWXKDUSA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470718457 501780881 /nfs/dbraw/zinc/78/08/81/501780881.db2.gz SGKMWJQWXKDUSA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470718457 501780885 /nfs/dbraw/zinc/78/08/85/501780885.db2.gz SGKMWJQWXKDUSA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP Cc1noc(CCC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000477774086 501783679 /nfs/dbraw/zinc/78/36/79/501783679.db2.gz PJWOXVSXFJNDLD-NRFANRHFSA-N 2 1 354.498 3.299 20 0 FGADMP Cc1noc(CCC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000477774086 501783687 /nfs/dbraw/zinc/78/36/87/501783687.db2.gz PJWOXVSXFJNDLD-NRFANRHFSA-N 2 1 354.498 3.299 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000477774086 501783692 /nfs/dbraw/zinc/78/36/92/501783692.db2.gz PJWOXVSXFJNDLD-NRFANRHFSA-N 2 1 354.498 3.299 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000477774086 501783698 /nfs/dbraw/zinc/78/36/98/501783698.db2.gz PJWOXVSXFJNDLD-NRFANRHFSA-N 2 1 354.498 3.299 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757934 501792940 /nfs/dbraw/zinc/79/29/40/501792940.db2.gz VYTCZLSGHHEZMY-GOTSBHOMSA-N 2 1 370.537 3.176 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378494 501808650 /nfs/dbraw/zinc/80/86/50/501808650.db2.gz CIHPSSLPOCSCEB-RBBKRZOGSA-N 2 1 355.526 3.228 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544823 501809878 /nfs/dbraw/zinc/80/98/78/501809878.db2.gz BMAPOZQDJVOWCG-AZUAARDMSA-N 2 1 356.514 3.099 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)c2)n1 ZINC000477860056 501811974 /nfs/dbraw/zinc/81/19/74/501811974.db2.gz LYYFUCZJKPAHHX-CJNGLKHVSA-N 2 1 359.495 3.027 20 0 FGADMP C[C@H](C(=O)NC(C)(C)C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485476918 501832233 /nfs/dbraw/zinc/83/22/33/501832233.db2.gz QNUUDGKHGLBUGT-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCC2)C1 ZINC000470865176 501833852 /nfs/dbraw/zinc/83/38/52/501833852.db2.gz FPCXZNKZZIKLPA-ICSRJNTNSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865176 501833855 /nfs/dbraw/zinc/83/38/55/501833855.db2.gz FPCXZNKZZIKLPA-ICSRJNTNSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865176 501833861 /nfs/dbraw/zinc/83/38/61/501833861.db2.gz FPCXZNKZZIKLPA-ICSRJNTNSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000485641024 501885485 /nfs/dbraw/zinc/88/54/85/501885485.db2.gz YRMUILITJYFDMY-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000474594776 501886918 /nfs/dbraw/zinc/88/69/18/501886918.db2.gz FZVRQPLKPOFEHV-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000474594776 501886922 /nfs/dbraw/zinc/88/69/22/501886922.db2.gz FZVRQPLKPOFEHV-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460659752 501888505 /nfs/dbraw/zinc/88/85/05/501888505.db2.gz XQDUFRQYZIHUKV-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460659752 501888510 /nfs/dbraw/zinc/88/85/10/501888510.db2.gz XQDUFRQYZIHUKV-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460659752 501888514 /nfs/dbraw/zinc/88/85/14/501888514.db2.gz XQDUFRQYZIHUKV-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629629 501900312 /nfs/dbraw/zinc/90/03/12/501900312.db2.gz NBOIHDDYNPQOMT-MWGFUINXSA-N 2 1 361.505 3.104 20 0 FGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c(C)c1 ZINC000482011368 501946306 /nfs/dbraw/zinc/94/63/06/501946306.db2.gz ANEZHGVHBCMQBJ-AVRDEDQJSA-N 2 1 354.542 3.243 20 0 FGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c(C)c1 ZINC000482011368 501946311 /nfs/dbraw/zinc/94/63/11/501946311.db2.gz ANEZHGVHBCMQBJ-AVRDEDQJSA-N 2 1 354.542 3.243 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482033023 501953238 /nfs/dbraw/zinc/95/32/38/501953238.db2.gz REPHFSLIFCLWED-NRFANRHFSA-N 2 1 372.557 3.338 20 0 FGADMP CC[C@]1(C)CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113667 501961217 /nfs/dbraw/zinc/96/12/17/501961217.db2.gz QBPRBKDWTZPADC-PGRDOPGGSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460948546 501966971 /nfs/dbraw/zinc/96/69/71/501966971.db2.gz KQVGQHHKEQCZCO-HDYDNRTBSA-N 2 1 366.594 3.449 20 0 FGADMP CC(C)(CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000478406976 501970651 /nfs/dbraw/zinc/97/06/51/501970651.db2.gz GHDQMDMORHQXMX-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCCC1 ZINC000468152531 501974774 /nfs/dbraw/zinc/97/47/74/501974774.db2.gz JKQTXMBKMJPISO-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113104 501979061 /nfs/dbraw/zinc/97/90/61/501979061.db2.gz XISLZEMQYICMIK-SIKLNZKXSA-N 2 1 365.521 3.193 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000468430292 502057162 /nfs/dbraw/zinc/05/71/62/502057162.db2.gz SYUSKJOTAWIJSZ-GBESFXJTSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000468430292 502057164 /nfs/dbraw/zinc/05/71/64/502057164.db2.gz SYUSKJOTAWIJSZ-GBESFXJTSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127664 502069388 /nfs/dbraw/zinc/06/93/88/502069388.db2.gz DEPSPCXMADLJOT-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127664 502069393 /nfs/dbraw/zinc/06/93/93/502069393.db2.gz DEPSPCXMADLJOT-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127664 502069396 /nfs/dbraw/zinc/06/93/96/502069396.db2.gz DEPSPCXMADLJOT-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136783 502075280 /nfs/dbraw/zinc/07/52/80/502075280.db2.gz PFKHECVAVBNQOT-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136783 502075286 /nfs/dbraw/zinc/07/52/86/502075286.db2.gz PFKHECVAVBNQOT-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136783 502075293 /nfs/dbraw/zinc/07/52/93/502075293.db2.gz PFKHECVAVBNQOT-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140329 502076972 /nfs/dbraw/zinc/07/69/72/502076972.db2.gz RYWNOHAXCRJXKQ-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791411 502086581 /nfs/dbraw/zinc/08/65/81/502086581.db2.gz DRUHYNZEUUHBLS-UYAOXDASSA-N 2 1 372.557 3.243 20 0 FGADMP CCN(C(=O)N[C@H](C)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170326 502088489 /nfs/dbraw/zinc/08/84/89/502088489.db2.gz CGTKTFXKCATMID-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394894 502092815 /nfs/dbraw/zinc/09/28/15/502092815.db2.gz QMWWXYOCOMRTDM-ROUUACIJSA-N 2 1 358.530 3.161 20 0 FGADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259271 502102567 /nfs/dbraw/zinc/10/25/67/502102567.db2.gz POALNRNCOMCPDU-LZQZEXGQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259271 502102569 /nfs/dbraw/zinc/10/25/69/502102569.db2.gz POALNRNCOMCPDU-LZQZEXGQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000486259271 502102576 /nfs/dbraw/zinc/10/25/76/502102576.db2.gz POALNRNCOMCPDU-LZQZEXGQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000486259271 502102582 /nfs/dbraw/zinc/10/25/82/502102582.db2.gz POALNRNCOMCPDU-LZQZEXGQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000482539759 502105326 /nfs/dbraw/zinc/10/53/26/502105326.db2.gz SOXIHJRXJSITPT-SJLPKXTDSA-N 2 1 355.482 3.185 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000482539759 502105329 /nfs/dbraw/zinc/10/53/29/502105329.db2.gz SOXIHJRXJSITPT-SJLPKXTDSA-N 2 1 355.482 3.185 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482568663 502113326 /nfs/dbraw/zinc/11/33/26/502113326.db2.gz IIGAGYDLUBAXMG-LJQANCHMSA-N 2 1 352.526 3.427 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461445092 502117317 /nfs/dbraw/zinc/11/73/17/502117317.db2.gz BTSRRIVEBAJWES-HBMCJLEFSA-N 2 1 357.542 3.134 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473184 502128051 /nfs/dbraw/zinc/12/80/51/502128051.db2.gz QCWFVZLYMGDBHO-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473187 502128363 /nfs/dbraw/zinc/12/83/63/502128363.db2.gz QCWFVZLYMGDBHO-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C(C)(C)C)n1 ZINC000475332310 502137906 /nfs/dbraw/zinc/13/79/06/502137906.db2.gz JDQZEXGVONJGLK-KDURUIRLSA-N 2 1 352.526 3.281 20 0 FGADMP C[NH+](C)C[C@H]1CCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000464923710 502146547 /nfs/dbraw/zinc/14/65/47/502146547.db2.gz PRKSSVZYBDPBDV-JOCHJYFZSA-N 2 1 365.521 3.241 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875210 502161519 /nfs/dbraw/zinc/16/15/19/502161519.db2.gz WJXUTRQDNSTOMM-FPOVZHCZSA-N 2 1 357.542 3.107 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000482738801 502166482 /nfs/dbraw/zinc/16/64/82/502166482.db2.gz GUCRGDQTJCIWLG-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[N@H+]1C ZINC000486512527 502177604 /nfs/dbraw/zinc/17/76/04/502177604.db2.gz ADMREMYACLVTMX-RXVVDRJESA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1 ZINC000461740081 502186242 /nfs/dbraw/zinc/18/62/42/502186242.db2.gz JDGIPWBHPPIGHB-HXUWFJFHSA-N 2 1 370.497 3.083 20 0 FGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602785415 506298849 /nfs/dbraw/zinc/29/88/49/506298849.db2.gz PIKLJUVZECPQRT-FQEVSTJZSA-N 2 1 368.525 3.250 20 0 FGADMP CC(C)N1CCC[C@H]([N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864478 502202165 /nfs/dbraw/zinc/20/21/65/502202165.db2.gz HYJVOLIQWIVNNQ-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@H]([N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864478 502202171 /nfs/dbraw/zinc/20/21/71/502202171.db2.gz HYJVOLIQWIVNNQ-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@H]([NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000482864478 502202176 /nfs/dbraw/zinc/20/21/76/502202176.db2.gz HYJVOLIQWIVNNQ-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@H]([NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000482864478 502202178 /nfs/dbraw/zinc/20/21/78/502202178.db2.gz HYJVOLIQWIVNNQ-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000468847968 502204697 /nfs/dbraw/zinc/20/46/97/502204697.db2.gz DTMSCGLXZUQGCM-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000465180155 502208288 /nfs/dbraw/zinc/20/82/88/502208288.db2.gz XIEZJSVYEYYMQW-ZIFCJYIRSA-N 2 1 360.546 3.144 20 0 FGADMP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475546690 502209485 /nfs/dbraw/zinc/20/94/85/502209485.db2.gz DXHFZBDTARLKES-IFMALSPDSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546690 502209489 /nfs/dbraw/zinc/20/94/89/502209489.db2.gz DXHFZBDTARLKES-IFMALSPDSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546690 502209493 /nfs/dbraw/zinc/20/94/93/502209493.db2.gz DXHFZBDTARLKES-IFMALSPDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000482895768 502210194 /nfs/dbraw/zinc/21/01/94/502210194.db2.gz WOQBHSPVFDYNTF-DKSSEZFCSA-N 2 1 353.913 3.373 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000482895768 502210201 /nfs/dbraw/zinc/21/02/01/502210201.db2.gz WOQBHSPVFDYNTF-DKSSEZFCSA-N 2 1 353.913 3.373 20 0 FGADMP C[NH+]1CCC(C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC1 ZINC000468900365 502223153 /nfs/dbraw/zinc/22/31/53/502223153.db2.gz KRAOFHHSLBIEJE-LJQANCHMSA-N 2 1 363.933 3.153 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000465420088 502256623 /nfs/dbraw/zinc/25/66/23/502256623.db2.gz HNYWIVSNNHFFOM-RXVVDRJESA-N 2 1 374.573 3.368 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000479436775 502259568 /nfs/dbraw/zinc/25/95/68/502259568.db2.gz KUGHCOFKFYCLGJ-FSPWUOQZSA-N 2 1 367.331 3.119 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436775 502259573 /nfs/dbraw/zinc/25/95/73/502259573.db2.gz KUGHCOFKFYCLGJ-FSPWUOQZSA-N 2 1 367.331 3.119 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000486809466 502270039 /nfs/dbraw/zinc/27/00/39/502270039.db2.gz FMUWTUZNZNSAJJ-UHFFFAOYSA-N 2 1 374.525 3.475 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000472257620 502287470 /nfs/dbraw/zinc/28/74/70/502287470.db2.gz IKCLMRQPSGHXES-SFHVURJKSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000472267914 502290425 /nfs/dbraw/zinc/29/04/25/502290425.db2.gz KIODABVWUSMFFF-KRWDZBQOSA-N 2 1 357.498 3.092 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)c2c(C)[nH]c3ccccc32)C1 ZINC000472267914 502290430 /nfs/dbraw/zinc/29/04/30/502290430.db2.gz KIODABVWUSMFFF-KRWDZBQOSA-N 2 1 357.498 3.092 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)CC(C)C ZINC000465581040 502315042 /nfs/dbraw/zinc/31/50/42/502315042.db2.gz XKIXPHIIOMIBLT-MOPGFXCFSA-N 2 1 354.583 3.259 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C/c2ccncc2)CC1 ZINC000486960511 502316124 /nfs/dbraw/zinc/31/61/24/502316124.db2.gz ATIQBZNUXLUZMA-AATRIKPKSA-N 2 1 350.510 3.022 20 0 FGADMP Cn1nnc2cc(C[N@H+]3CCCC[C@H]3[C@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370011 502332771 /nfs/dbraw/zinc/33/27/71/502332771.db2.gz OXGNYOXJNWNDNB-FPOVZHCZSA-N 2 1 363.509 3.140 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266089 502333010 /nfs/dbraw/zinc/33/30/10/502333010.db2.gz HRBMRXGDZZHTIK-OAQYLSRUSA-N 2 1 357.542 3.077 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266089 502333011 /nfs/dbraw/zinc/33/30/11/502333011.db2.gz HRBMRXGDZZHTIK-OAQYLSRUSA-N 2 1 357.542 3.077 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475970389 502347227 /nfs/dbraw/zinc/34/72/27/502347227.db2.gz PHIPQLKTTUQGLF-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)c1ccsc1 ZINC000487103827 502360365 /nfs/dbraw/zinc/36/03/65/502360365.db2.gz OCAHUIGCEQBMAI-ROUUACIJSA-N 2 1 366.575 3.113 20 0 FGADMP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472475102 502362925 /nfs/dbraw/zinc/36/29/25/502362925.db2.gz FGHNYIDQGQJVEJ-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487261685 502403955 /nfs/dbraw/zinc/40/39/55/502403955.db2.gz BYHDJNBWGVWTQK-ZWKOTPCHSA-N 2 1 352.906 3.206 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1 ZINC000487412194 502437315 /nfs/dbraw/zinc/43/73/15/502437315.db2.gz QVLQWBUCFUZDMC-UZLBHIALSA-N 2 1 369.513 3.223 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1 ZINC000487412194 502437320 /nfs/dbraw/zinc/43/73/20/502437320.db2.gz QVLQWBUCFUZDMC-UZLBHIALSA-N 2 1 369.513 3.223 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)C2 ZINC000469491168 502438307 /nfs/dbraw/zinc/43/83/07/502438307.db2.gz CGJGXDCRIOHOAL-SFHVURJKSA-N 2 1 368.525 3.059 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000462534550 502477760 /nfs/dbraw/zinc/47/77/60/502477760.db2.gz CBSVZQLICWTQFK-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000462534550 502477762 /nfs/dbraw/zinc/47/77/62/502477762.db2.gz CBSVZQLICWTQFK-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000462534550 502477769 /nfs/dbraw/zinc/47/77/69/502477769.db2.gz CBSVZQLICWTQFK-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462535742 502478818 /nfs/dbraw/zinc/47/88/18/502478818.db2.gz QBAVOTFOAOOQEH-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462535742 502478823 /nfs/dbraw/zinc/47/88/23/502478823.db2.gz QBAVOTFOAOOQEH-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462535742 502478828 /nfs/dbraw/zinc/47/88/28/502478828.db2.gz QBAVOTFOAOOQEH-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483794500 502494778 /nfs/dbraw/zinc/49/47/78/502494778.db2.gz QIJLIVUNPLHZKK-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483794500 502494783 /nfs/dbraw/zinc/49/47/83/502494783.db2.gz QIJLIVUNPLHZKK-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483794500 502494788 /nfs/dbraw/zinc/49/47/88/502494788.db2.gz QIJLIVUNPLHZKK-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096497 502568865 /nfs/dbraw/zinc/56/88/65/502568865.db2.gz KZCWPRQDNDCQCA-JEBQAFNWSA-N 2 1 356.869 3.041 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096497 502568871 /nfs/dbraw/zinc/56/88/71/502568871.db2.gz KZCWPRQDNDCQCA-JEBQAFNWSA-N 2 1 356.869 3.041 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000469861323 502571774 /nfs/dbraw/zinc/57/17/74/502571774.db2.gz JVPORIRDKOSHSZ-UHFFFAOYSA-N 2 1 365.319 3.360 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000469861323 502571776 /nfs/dbraw/zinc/57/17/76/502571776.db2.gz JVPORIRDKOSHSZ-UHFFFAOYSA-N 2 1 365.319 3.360 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501990 502612569 /nfs/dbraw/zinc/61/25/69/502612569.db2.gz BTNXQDOCTAWHFD-TXTKFYIRSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510104 502615441 /nfs/dbraw/zinc/61/54/41/502615441.db2.gz VFPWNFUNSBOAJW-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510104 502615447 /nfs/dbraw/zinc/61/54/47/502615447.db2.gz VFPWNFUNSBOAJW-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510104 502615456 /nfs/dbraw/zinc/61/54/56/502615456.db2.gz VFPWNFUNSBOAJW-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480596630 502616120 /nfs/dbraw/zinc/61/61/20/502616120.db2.gz WGQUAAWMPIGFHI-PZJWPPBQSA-N 2 1 359.558 3.303 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(Cc3ccccn3)CC2)C1 ZINC000480601503 502616374 /nfs/dbraw/zinc/61/63/74/502616374.db2.gz AOCPGVYUMIGMPN-BGYRXZFFSA-N 3 1 358.574 3.394 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000480689132 502644063 /nfs/dbraw/zinc/64/40/63/502644063.db2.gz VXBGZVNFYLRIJU-GHTZIAJQSA-N 2 1 356.514 3.023 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000480722892 502652671 /nfs/dbraw/zinc/65/26/71/502652671.db2.gz QNTGHSFYMGXOOO-JBACZVJFSA-N 2 1 353.595 3.224 20 0 FGADMP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccc1F ZINC000480722728 502652711 /nfs/dbraw/zinc/65/27/11/502652711.db2.gz CJGUNVOGAHOFAO-QGZVFWFLSA-N 2 1 361.505 3.158 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484591104 502678311 /nfs/dbraw/zinc/67/83/11/502678311.db2.gz NGRLZIUBTWHFDP-RMJJICAUSA-N 2 1 360.546 3.097 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000463123382 502701929 /nfs/dbraw/zinc/70/19/29/502701929.db2.gz ORZHRSURMKSGMB-PBHICJAKSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000463123382 502701933 /nfs/dbraw/zinc/70/19/33/502701933.db2.gz ORZHRSURMKSGMB-PBHICJAKSA-N 2 1 359.436 3.327 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000470211937 502706146 /nfs/dbraw/zinc/70/61/46/502706146.db2.gz OGMXZGJIVYHEMP-OAQYLSRUSA-N 2 1 369.553 3.476 20 0 FGADMP CC(C)(C[NH2+]Cc1cnc2ccc(Br)cn12)C[NH+]1CCCC1 ZINC000480923784 502706911 /nfs/dbraw/zinc/70/69/11/502706911.db2.gz BMRJHENQNXPSTG-UHFFFAOYSA-N 2 1 365.319 3.308 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CNCC(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000480940277 502709806 /nfs/dbraw/zinc/70/98/06/502709806.db2.gz UVJIGGFPVZFZEJ-UHFFFAOYSA-N 2 1 350.576 3.121 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000480965913 502715386 /nfs/dbraw/zinc/71/53/86/502715386.db2.gz CAINCHGQRUUHME-SFHVURJKSA-N 2 1 351.560 3.225 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000484717935 502718716 /nfs/dbraw/zinc/71/87/16/502718716.db2.gz YYDGRMDLDWMJDM-OAQYLSRUSA-N 2 1 374.573 3.402 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022235 502730760 /nfs/dbraw/zinc/73/07/60/502730760.db2.gz JZDFOVDHQUBTRO-NQIIRXRSSA-N 2 1 354.494 3.373 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026306 502732322 /nfs/dbraw/zinc/73/23/22/502732322.db2.gz RLFBXOBVXAFLLN-NQIIRXRSSA-N 2 1 354.494 3.373 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000470470673 502787984 /nfs/dbraw/zinc/78/79/84/502787984.db2.gz NWMUQHUTOQJTHX-LJQANCHMSA-N 2 1 374.573 3.241 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000484984286 502792888 /nfs/dbraw/zinc/79/28/88/502792888.db2.gz CHEUNDGWSJBUNY-RIFZZMRRSA-N 2 1 357.523 3.013 20 0 FGADMP C[C@@H](C(=O)N1CCC[NH+](CCCc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000513070144 502844440 /nfs/dbraw/zinc/84/44/40/502844440.db2.gz OJYDOEBUVKAGCA-HBMCJLEFSA-N 2 1 371.569 3.415 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000513070144 502844444 /nfs/dbraw/zinc/84/44/44/502844444.db2.gz OJYDOEBUVKAGCA-HBMCJLEFSA-N 2 1 371.569 3.415 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000513070144 502844448 /nfs/dbraw/zinc/84/44/48/502844448.db2.gz OJYDOEBUVKAGCA-HBMCJLEFSA-N 2 1 371.569 3.415 20 0 FGADMP CC[C@H](C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000513080822 502847452 /nfs/dbraw/zinc/84/74/52/502847452.db2.gz CSLSSJMVNFFOJT-LJQANCHMSA-N 2 1 354.498 3.101 20 0 FGADMP CC[C@H](C(=O)N1CCC(Cc2[nH]cc[nH+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000513080822 502847455 /nfs/dbraw/zinc/84/74/55/502847455.db2.gz CSLSSJMVNFFOJT-LJQANCHMSA-N 2 1 354.498 3.101 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1 ZINC000495696488 502857936 /nfs/dbraw/zinc/85/79/36/502857936.db2.gz LOLVUNWWEKWYDI-MOPGFXCFSA-N 2 1 363.571 3.036 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000505157559 502860434 /nfs/dbraw/zinc/86/04/34/502860434.db2.gz WZUFEFSUGSDDFB-XLIONFOSSA-N 2 1 370.541 3.332 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@@H](SC)C2)cc1)C(C)C ZINC000495728412 502861218 /nfs/dbraw/zinc/86/12/18/502861218.db2.gz NSZKAQNTJWLOPW-MOPGFXCFSA-N 2 1 363.571 3.035 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058965 502870515 /nfs/dbraw/zinc/87/05/15/502870515.db2.gz GQEMEGMTDHIZHA-CTNGQTDRSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000489058965 502870518 /nfs/dbraw/zinc/87/05/18/502870518.db2.gz GQEMEGMTDHIZHA-CTNGQTDRSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000489058965 502870522 /nfs/dbraw/zinc/87/05/22/502870522.db2.gz GQEMEGMTDHIZHA-CTNGQTDRSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000500840093 502875086 /nfs/dbraw/zinc/87/50/86/502875086.db2.gz POWJVQXWCBCCJN-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000500840093 502875087 /nfs/dbraw/zinc/87/50/87/502875087.db2.gz POWJVQXWCBCCJN-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000500840093 502875089 /nfs/dbraw/zinc/87/50/89/502875089.db2.gz POWJVQXWCBCCJN-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513233987 502885620 /nfs/dbraw/zinc/88/56/20/502885620.db2.gz QQEAQMXSTMVLKX-KNQAVFIVSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513233987 502885623 /nfs/dbraw/zinc/88/56/23/502885623.db2.gz QQEAQMXSTMVLKX-KNQAVFIVSA-N 2 1 360.542 3.462 20 0 FGADMP CCN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000501031832 502916921 /nfs/dbraw/zinc/91/69/21/502916921.db2.gz ZZOKURZTZYYUBB-UHFFFAOYSA-N 2 1 366.509 3.283 20 0 FGADMP CCc1oc(C(=O)OC)cc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501067801 502927401 /nfs/dbraw/zinc/92/74/01/502927401.db2.gz KFOVZELOFNSDJL-UHFFFAOYSA-N 2 1 371.481 3.372 20 0 FGADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586529 502941845 /nfs/dbraw/zinc/94/18/45/502941845.db2.gz HIWVRARCKIFJFS-IAGOWNOFSA-N 2 1 364.534 3.130 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](Cc2ccccn2)c2cccnc2)C[C@H](C)O1 ZINC000513505469 502955191 /nfs/dbraw/zinc/95/51/91/502955191.db2.gz KOGCAWJLYCMSIL-XQBPLPMBSA-N 2 1 368.525 3.239 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2nc1C ZINC000505760818 502980165 /nfs/dbraw/zinc/98/01/65/502980165.db2.gz YJMDXNDUEUFHJB-IBGZPJMESA-N 2 1 368.525 3.031 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509915414 503011061 /nfs/dbraw/zinc/01/10/61/503011061.db2.gz ZHPKNKUYRDGFRY-UHFFFAOYSA-N 2 1 358.574 3.003 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509915414 503011064 /nfs/dbraw/zinc/01/10/64/503011064.db2.gz ZHPKNKUYRDGFRY-UHFFFAOYSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708515 503015974 /nfs/dbraw/zinc/01/59/74/503015974.db2.gz GPVSUIXIYIAEDX-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708515 503015976 /nfs/dbraw/zinc/01/59/76/503015976.db2.gz GPVSUIXIYIAEDX-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708515 503015982 /nfs/dbraw/zinc/01/59/82/503015982.db2.gz GPVSUIXIYIAEDX-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708515 503015984 /nfs/dbraw/zinc/01/59/84/503015984.db2.gz GPVSUIXIYIAEDX-LEWJYISDSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501492570 503020472 /nfs/dbraw/zinc/02/04/72/503020472.db2.gz VPEAPUZRBFCNFR-RTBURBONSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528326 503029357 /nfs/dbraw/zinc/02/93/57/503029357.db2.gz CSRADAQNBSONJN-SFHLNBCPSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@@H]1C ZINC000501531024 503030373 /nfs/dbraw/zinc/03/03/73/503030373.db2.gz KAXDTIQUQHITQY-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000501531024 503030376 /nfs/dbraw/zinc/03/03/76/503030376.db2.gz KAXDTIQUQHITQY-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000501531024 503030382 /nfs/dbraw/zinc/03/03/82/503030382.db2.gz KAXDTIQUQHITQY-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000501545440 503033764 /nfs/dbraw/zinc/03/37/64/503033764.db2.gz IJSRQQBIDRMDOB-VQTJNVASSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OCCO ZINC000489795871 503037599 /nfs/dbraw/zinc/03/75/99/503037599.db2.gz KTWZETFQISVKTI-PCCBWWKXSA-N 2 1 360.542 3.054 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861510 503051631 /nfs/dbraw/zinc/05/16/31/503051631.db2.gz OJZZYGKEWVDAKL-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906507 503062165 /nfs/dbraw/zinc/06/21/65/503062165.db2.gz LQDAGOVZMPXSQZ-GXTWGEPZSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906507 503062170 /nfs/dbraw/zinc/06/21/70/503062170.db2.gz LQDAGOVZMPXSQZ-GXTWGEPZSA-N 2 1 358.313 3.374 20 0 FGADMP CN(C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])C(c1ccccc1)c1ccccc1 ZINC000489960759 503075886 /nfs/dbraw/zinc/07/58/86/503075886.db2.gz YAOSWUCLVMIUMG-NRFANRHFSA-N 2 1 365.521 3.438 20 0 FGADMP CN(C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])C(c1ccccc1)c1ccccc1 ZINC000489960759 503075891 /nfs/dbraw/zinc/07/58/91/503075891.db2.gz YAOSWUCLVMIUMG-NRFANRHFSA-N 2 1 365.521 3.438 20 0 FGADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000489991529 503084555 /nfs/dbraw/zinc/08/45/55/503084555.db2.gz UNIRDUNFGUEDMQ-MRXNPFEDSA-N 2 1 363.303 3.338 20 0 FGADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000489991529 503084559 /nfs/dbraw/zinc/08/45/59/503084559.db2.gz UNIRDUNFGUEDMQ-MRXNPFEDSA-N 2 1 363.303 3.338 20 0 FGADMP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510306291 503088347 /nfs/dbraw/zinc/08/83/47/503088347.db2.gz JHNXJHIXGSGQGG-GHTZIAJQSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000501833086 503089987 /nfs/dbraw/zinc/08/99/87/503089987.db2.gz RRNAOHNKNDXHDP-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](CCNC(=O)NCCC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000514217952 503115988 /nfs/dbraw/zinc/11/59/88/503115988.db2.gz GOHNQXFBOHZTBP-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP C[NH+](CCCNC(=O)NCC[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000514217952 503115992 /nfs/dbraw/zinc/11/59/92/503115992.db2.gz GOHNQXFBOHZTBP-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP C[NH+](CCCNC(=O)NCC[N@@H+](C)C1CCCCC1)C1CCCCC1 ZINC000514217952 503115995 /nfs/dbraw/zinc/11/59/95/503115995.db2.gz GOHNQXFBOHZTBP-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000514229271 503119659 /nfs/dbraw/zinc/11/96/59/503119659.db2.gz PFLSFTAOAUHVRG-TZIWHRDSSA-N 2 1 372.557 3.306 20 0 FGADMP Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471147 503121029 /nfs/dbraw/zinc/12/10/29/503121029.db2.gz CBJYYBNOOPWUOI-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471147 503121034 /nfs/dbraw/zinc/12/10/34/503121034.db2.gz CBJYYBNOOPWUOI-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471147 503121035 /nfs/dbraw/zinc/12/10/35/503121035.db2.gz CBJYYBNOOPWUOI-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471147 503121040 /nfs/dbraw/zinc/12/10/40/503121040.db2.gz CBJYYBNOOPWUOI-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471147 503121044 /nfs/dbraw/zinc/12/10/44/503121044.db2.gz CBJYYBNOOPWUOI-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000498163784 503122456 /nfs/dbraw/zinc/12/24/56/503122456.db2.gz RYIKOZXDRMLLML-PXNSSMCTSA-N 2 1 371.529 3.271 20 0 FGADMP C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510514551 503130525 /nfs/dbraw/zinc/13/05/25/503130525.db2.gz UYWXBPXXQLNUQH-SFHVURJKSA-N 2 1 370.541 3.122 20 0 FGADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000506690924 503156964 /nfs/dbraw/zinc/15/69/64/503156964.db2.gz SUKBEKVCWPLZJD-UHFFFAOYSA-N 2 1 360.454 3.144 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)CC1 ZINC000506690924 503156966 /nfs/dbraw/zinc/15/69/66/503156966.db2.gz SUKBEKVCWPLZJD-UHFFFAOYSA-N 2 1 360.454 3.144 20 0 FGADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000498449969 503186633 /nfs/dbraw/zinc/18/66/33/503186633.db2.gz BKANEERENNWPQZ-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000490762091 503223963 /nfs/dbraw/zinc/22/39/63/503223963.db2.gz WWVPNSUGECKGTC-GHTZIAJQSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)NCC[N@@H+](C)C3CC3)cc2)C1 ZINC000490863605 503237968 /nfs/dbraw/zinc/23/79/68/503237968.db2.gz UMZKEDZFRXCVRW-ROUUACIJSA-N 2 1 372.557 3.058 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491050918 503266215 /nfs/dbraw/zinc/26/62/15/503266215.db2.gz IFXNUBFARVYNGT-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1)C1CC1 ZINC000511153813 503270975 /nfs/dbraw/zinc/27/09/75/503270975.db2.gz XVBQRKMDTGTVON-UHFFFAOYSA-N 2 1 370.522 3.368 20 0 FGADMP C[NH+](C)C1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000511170145 503273083 /nfs/dbraw/zinc/27/30/83/503273083.db2.gz DNPROUJNGFQBLN-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H](CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1)[N@@H+](C)C1CC1 ZINC000502797495 503274564 /nfs/dbraw/zinc/27/45/64/503274564.db2.gz YMNMAOJZTNEEGV-ROUUACIJSA-N 2 1 372.557 3.432 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000502823042 503281989 /nfs/dbraw/zinc/28/19/89/503281989.db2.gz DMJJUCUAONOBKA-IAGOWNOFSA-N 2 1 366.575 3.162 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1C ZINC000499028505 503317076 /nfs/dbraw/zinc/31/70/76/503317076.db2.gz OBLDBZCUKBYLAN-WBYGSUFKSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467182 503327166 /nfs/dbraw/zinc/32/71/66/503327166.db2.gz YBLKEOXTJLHTQY-APWZRJJASA-N 2 1 365.477 3.132 20 0 FGADMP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000511617226 503355229 /nfs/dbraw/zinc/35/52/29/503355229.db2.gz LXDZUYRNPCYWQG-UHFFFAOYSA-N 2 1 363.521 3.273 20 0 FGADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1ccccc1F ZINC000511617226 503355234 /nfs/dbraw/zinc/35/52/34/503355234.db2.gz LXDZUYRNPCYWQG-UHFFFAOYSA-N 2 1 363.521 3.273 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184128 503362352 /nfs/dbraw/zinc/36/23/52/503362352.db2.gz ZZXAHLKGILVBRX-DENIHFKCSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184128 503362354 /nfs/dbraw/zinc/36/23/54/503362354.db2.gz ZZXAHLKGILVBRX-DENIHFKCSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184128 503362356 /nfs/dbraw/zinc/36/23/56/503362356.db2.gz ZZXAHLKGILVBRX-DENIHFKCSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184128 503362358 /nfs/dbraw/zinc/36/23/58/503362358.db2.gz ZZXAHLKGILVBRX-DENIHFKCSA-N 2 1 367.537 3.305 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353048 503366351 /nfs/dbraw/zinc/36/63/51/503366351.db2.gz QOHZRJLMAGXKLK-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353048 503366353 /nfs/dbraw/zinc/36/63/53/503366353.db2.gz QOHZRJLMAGXKLK-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc2ccccc2c1C ZINC000499510449 503422219 /nfs/dbraw/zinc/42/22/19/503422219.db2.gz VPJCWPCFIARXNY-QGZVFWFLSA-N 2 1 357.498 3.229 20 0 FGADMP Cc1nn2c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)c(C(C)C)nc2s1 ZINC000516215264 503472581 /nfs/dbraw/zinc/47/25/81/503472581.db2.gz NVYFJIXAUWLBRZ-MRXNPFEDSA-N 2 1 361.559 3.386 20 0 FGADMP CC[NH+]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000503796711 503473176 /nfs/dbraw/zinc/47/31/76/503473176.db2.gz URHIQUDRJUBJAC-GOSISDBHSA-N 2 1 360.546 3.243 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@H]2c2ccccc2)CC1 ZINC000512195458 503482885 /nfs/dbraw/zinc/48/28/85/503482885.db2.gz NUGBASLNCYJXIR-RXVVDRJESA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000503905576 503486726 /nfs/dbraw/zinc/48/67/26/503486726.db2.gz CCYNAJYRFPMCGB-LJQANCHMSA-N 2 1 362.562 3.267 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257835 503500881 /nfs/dbraw/zinc/50/08/81/503500881.db2.gz DHUSVQUWDXJMIG-JOCHJYFZSA-N 2 1 364.493 3.008 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257835 503500884 /nfs/dbraw/zinc/50/08/84/503500884.db2.gz DHUSVQUWDXJMIG-JOCHJYFZSA-N 2 1 364.493 3.008 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)Nc1cccnc1 ZINC000512257835 503500887 /nfs/dbraw/zinc/50/08/87/503500887.db2.gz DHUSVQUWDXJMIG-JOCHJYFZSA-N 2 1 364.493 3.008 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000494247892 503512261 /nfs/dbraw/zinc/51/22/61/503512261.db2.gz NGFZWAUARMPACK-DYESRHJHSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494247892 503512264 /nfs/dbraw/zinc/51/22/64/503512264.db2.gz NGFZWAUARMPACK-DYESRHJHSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000494247892 503512267 /nfs/dbraw/zinc/51/22/67/503512267.db2.gz NGFZWAUARMPACK-DYESRHJHSA-N 2 1 355.526 3.304 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000494264967 503515722 /nfs/dbraw/zinc/51/57/22/503515722.db2.gz LICXJWQAPAYZHT-NRFANRHFSA-N 2 1 355.526 3.162 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000494547340 503562166 /nfs/dbraw/zinc/56/21/66/503562166.db2.gz VFDAZLSKPFHRJS-OAQYLSRUSA-N 2 1 355.526 3.055 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000516689229 503570061 /nfs/dbraw/zinc/57/00/61/503570061.db2.gz SBNPLMSDPSUKCB-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000516689229 503570064 /nfs/dbraw/zinc/57/00/64/503570064.db2.gz SBNPLMSDPSUKCB-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000516689229 503570068 /nfs/dbraw/zinc/57/00/68/503570068.db2.gz SBNPLMSDPSUKCB-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000508875634 503585068 /nfs/dbraw/zinc/58/50/68/503585068.db2.gz BMJVTKWLJNSNJO-QYFOPDBTSA-N 2 1 371.569 3.194 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000517151658 503657629 /nfs/dbraw/zinc/65/76/29/503657629.db2.gz LGMUYNRQKIZMRI-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517151658 503657636 /nfs/dbraw/zinc/65/76/36/503657636.db2.gz LGMUYNRQKIZMRI-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517151658 503657639 /nfs/dbraw/zinc/65/76/39/503657639.db2.gz LGMUYNRQKIZMRI-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)CC1 ZINC000536666019 503669717 /nfs/dbraw/zinc/66/97/17/503669717.db2.gz ARCWIABADLZYOU-HXUWFJFHSA-N 2 1 357.542 3.000 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000529721100 503680688 /nfs/dbraw/zinc/68/06/88/503680688.db2.gz YFSNWZJHPBPJPO-OAQYLSRUSA-N 2 1 355.526 3.419 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000529801052 503704442 /nfs/dbraw/zinc/70/44/42/503704442.db2.gz MAMQTNAJSXJIHP-QFIPXVFZSA-N 2 1 371.569 3.476 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000533104250 503732140 /nfs/dbraw/zinc/73/21/40/503732140.db2.gz GCUKJICGYDMCFJ-HXUWFJFHSA-N 2 1 364.578 3.014 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cccc3c2OC(C)(C)C3)CC1 ZINC000527244115 503736565 /nfs/dbraw/zinc/73/65/65/503736565.db2.gz SAZIUOAJZBDHKL-UHFFFAOYSA-N 2 1 353.466 3.126 20 0 FGADMP CC(C)CSCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933495 503765001 /nfs/dbraw/zinc/76/50/01/503765001.db2.gz AVLMQVYDGQGNTD-KDURUIRLSA-N 2 1 372.619 3.356 20 0 FGADMP CC(C)CSCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000536933495 503765007 /nfs/dbraw/zinc/76/50/07/503765007.db2.gz AVLMQVYDGQGNTD-KDURUIRLSA-N 2 1 372.619 3.356 20 0 FGADMP Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220463 503765373 /nfs/dbraw/zinc/76/53/73/503765373.db2.gz KLFDVYFPOHRVEJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220463 503765377 /nfs/dbraw/zinc/76/53/77/503765377.db2.gz KLFDVYFPOHRVEJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000533220463 503765381 /nfs/dbraw/zinc/76/53/81/503765381.db2.gz KLFDVYFPOHRVEJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000533220463 503765386 /nfs/dbraw/zinc/76/53/86/503765386.db2.gz KLFDVYFPOHRVEJ-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000543460438 503781115 /nfs/dbraw/zinc/78/11/15/503781115.db2.gz MYLRSDYFDSFSRG-CVEARBPZSA-N 2 1 363.571 3.169 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000543460438 503781120 /nfs/dbraw/zinc/78/11/20/503781120.db2.gz MYLRSDYFDSFSRG-CVEARBPZSA-N 2 1 363.571 3.169 20 0 FGADMP C[C@H](CC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478265 503788385 /nfs/dbraw/zinc/78/83/85/503788385.db2.gz OMIJRRHNRVCPSG-IVDHNXQLSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478265 503788391 /nfs/dbraw/zinc/78/83/91/503788391.db2.gz OMIJRRHNRVCPSG-IVDHNXQLSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478265 503788396 /nfs/dbraw/zinc/78/83/96/503788396.db2.gz OMIJRRHNRVCPSG-IVDHNXQLSA-N 2 1 368.606 3.223 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533309699 503801678 /nfs/dbraw/zinc/80/16/78/503801678.db2.gz LXXFYBLXFHSASE-HXUWFJFHSA-N 2 1 354.498 3.076 20 0 FGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000540593404 503827266 /nfs/dbraw/zinc/82/72/66/503827266.db2.gz FLUPBIRXQUYGMH-HZPDHXFCSA-N 2 1 357.498 3.233 20 0 FGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000540593404 503827269 /nfs/dbraw/zinc/82/72/69/503827269.db2.gz FLUPBIRXQUYGMH-HZPDHXFCSA-N 2 1 357.498 3.233 20 0 FGADMP C[C@H](CCCc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000537196605 503836906 /nfs/dbraw/zinc/83/69/06/503836906.db2.gz AGHSJMBHXXNZAC-GOSISDBHSA-N 2 1 366.509 3.431 20 0 FGADMP C[N@H+]1CC=C(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000537234894 503852685 /nfs/dbraw/zinc/85/26/85/503852685.db2.gz GWNRXRAICUUFPH-UHFFFAOYSA-N 2 1 363.505 3.067 20 0 FGADMP C[N@@H+]1CC=C(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000537234894 503852693 /nfs/dbraw/zinc/85/26/93/503852693.db2.gz GWNRXRAICUUFPH-UHFFFAOYSA-N 2 1 363.505 3.067 20 0 FGADMP COc1ccsc1[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546726176 503853312 /nfs/dbraw/zinc/85/33/12/503853312.db2.gz VIUASTJKXQOVCC-LSDHHAIUSA-N 2 1 365.568 3.458 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532610 503877818 /nfs/dbraw/zinc/87/78/18/503877818.db2.gz OLOLUMAXBQMGBN-CZUORRHYSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532610 503877819 /nfs/dbraw/zinc/87/78/19/503877819.db2.gz OLOLUMAXBQMGBN-CZUORRHYSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(I)cc2)[C@H](C)C1 ZINC000533532610 503877821 /nfs/dbraw/zinc/87/78/21/503877821.db2.gz OLOLUMAXBQMGBN-CZUORRHYSA-N 2 1 372.294 3.453 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(CO)ccc1F ZINC000530217870 503880945 /nfs/dbraw/zinc/88/09/45/503880945.db2.gz IOTHOGUHAKHVOE-SIKLNZKXSA-N 2 1 356.485 3.490 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539585 503881486 /nfs/dbraw/zinc/88/14/86/503881486.db2.gz INLQUBAOVUUBLJ-NZSAHSFTSA-N 2 1 352.906 3.292 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220474 503881904 /nfs/dbraw/zinc/88/19/04/503881904.db2.gz OGJMEWFVSCBMRR-WFASDCNBSA-N 2 1 366.303 3.040 20 0 FGADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000546795997 503882322 /nfs/dbraw/zinc/88/23/22/503882322.db2.gz IEKSACMDMYYYQV-INIZCTEOSA-N 2 1 368.481 3.121 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000546795997 503882325 /nfs/dbraw/zinc/88/23/25/503882325.db2.gz IEKSACMDMYYYQV-INIZCTEOSA-N 2 1 368.481 3.121 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cs2)o1 ZINC000530239509 503889396 /nfs/dbraw/zinc/88/93/96/503889396.db2.gz GNPOHZVFAMMUEQ-KRWDZBQOSA-N 2 1 361.511 3.302 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023366 503892075 /nfs/dbraw/zinc/89/20/75/503892075.db2.gz NXLKMHWKHFNJRP-HOJAQTOUSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023366 503892082 /nfs/dbraw/zinc/89/20/82/503892082.db2.gz NXLKMHWKHFNJRP-HOJAQTOUSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023366 503892086 /nfs/dbraw/zinc/89/20/86/503892086.db2.gz NXLKMHWKHFNJRP-HOJAQTOUSA-N 2 1 370.541 3.138 20 0 FGADMP Clc1cnc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000527696387 503899195 /nfs/dbraw/zinc/89/91/95/503899195.db2.gz SQNIIYJXFODQOS-SNVBAGLBSA-N 2 1 355.667 3.046 20 0 FGADMP CC(C)C1CCC([NH+]2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)CC1 ZINC000546852379 503902048 /nfs/dbraw/zinc/90/20/48/503902048.db2.gz FSGXYPLNAIKIQK-UHFFFAOYSA-N 2 1 358.530 3.120 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000533622378 503903302 /nfs/dbraw/zinc/90/33/02/503903302.db2.gz SZGUKLRBMRYZHG-FQEVSTJZSA-N 2 1 374.573 3.174 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000543859032 503918441 /nfs/dbraw/zinc/91/84/41/503918441.db2.gz YPGJMVWLCFDMEP-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366662 503964720 /nfs/dbraw/zinc/96/47/20/503964720.db2.gz FOHIWEXRLSJLFS-SYYKKAFVSA-N 2 1 372.557 3.071 20 0 FGADMP COc1cccc(C[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)n1 ZINC000544011040 503971260 /nfs/dbraw/zinc/97/12/60/503971260.db2.gz NSSCLNGRKOFDDW-KRWDZBQOSA-N 2 1 361.530 3.034 20 0 FGADMP COCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000530513197 503994122 /nfs/dbraw/zinc/99/41/22/503994122.db2.gz QUMXOTANSIRGLS-KRWDZBQOSA-N 2 1 366.303 3.483 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598010 504025100 /nfs/dbraw/zinc/02/51/00/504025100.db2.gz ZPMMMXIXWBOOKV-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000541160019 504026775 /nfs/dbraw/zinc/02/67/75/504026775.db2.gz OKHSYTGYYZKDAE-LJQANCHMSA-N 2 1 366.594 3.262 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055214 504027629 /nfs/dbraw/zinc/02/76/29/504027629.db2.gz HWQDGNZBWKIYIW-MSOLQXFVSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055214 504027636 /nfs/dbraw/zinc/02/76/36/504027636.db2.gz HWQDGNZBWKIYIW-MSOLQXFVSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055214 504027639 /nfs/dbraw/zinc/02/76/39/504027639.db2.gz HWQDGNZBWKIYIW-MSOLQXFVSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055214 504027647 /nfs/dbraw/zinc/02/76/47/504027647.db2.gz HWQDGNZBWKIYIW-MSOLQXFVSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055214 504027654 /nfs/dbraw/zinc/02/76/54/504027654.db2.gz HWQDGNZBWKIYIW-MSOLQXFVSA-N 2 1 366.937 3.115 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000518709188 504045792 /nfs/dbraw/zinc/04/57/92/504045792.db2.gz LDMNNTKWPWVGMS-HXUWFJFHSA-N 2 1 366.594 3.452 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220851 504048535 /nfs/dbraw/zinc/04/85/35/504048535.db2.gz APYQSPUSWJGTOP-ICSRJNTNSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220851 504048540 /nfs/dbraw/zinc/04/85/40/504048540.db2.gz APYQSPUSWJGTOP-ICSRJNTNSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220851 504048546 /nfs/dbraw/zinc/04/85/46/504048546.db2.gz APYQSPUSWJGTOP-ICSRJNTNSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220851 504048550 /nfs/dbraw/zinc/04/85/50/504048550.db2.gz APYQSPUSWJGTOP-ICSRJNTNSA-N 2 1 374.525 3.325 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000518753219 504054926 /nfs/dbraw/zinc/05/49/26/504054926.db2.gz RGQPCUFTIVTNAD-VWPQPMDRSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000518753219 504054931 /nfs/dbraw/zinc/05/49/31/504054931.db2.gz RGQPCUFTIVTNAD-VWPQPMDRSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000518753219 504054937 /nfs/dbraw/zinc/05/49/37/504054937.db2.gz RGQPCUFTIVTNAD-VWPQPMDRSA-N 2 1 371.569 3.383 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000544361222 504102898 /nfs/dbraw/zinc/10/28/98/504102898.db2.gz UZOLHRKPAQUPGT-KSZLIROESA-N 2 1 362.514 3.257 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000544361222 504102902 /nfs/dbraw/zinc/10/29/02/504102902.db2.gz UZOLHRKPAQUPGT-KSZLIROESA-N 2 1 362.514 3.257 20 0 FGADMP CC(C)(C)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000530862415 504111383 /nfs/dbraw/zinc/11/13/83/504111383.db2.gz YTHWMVNXLDUIJK-LJQANCHMSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000530862415 504111390 /nfs/dbraw/zinc/11/13/90/504111390.db2.gz YTHWMVNXLDUIJK-LJQANCHMSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000530862415 504111396 /nfs/dbraw/zinc/11/13/96/504111396.db2.gz YTHWMVNXLDUIJK-LJQANCHMSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000530862415 504111402 /nfs/dbraw/zinc/11/14/02/504111402.db2.gz YTHWMVNXLDUIJK-LJQANCHMSA-N 2 1 361.505 3.123 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000544394886 504117150 /nfs/dbraw/zinc/11/71/50/504117150.db2.gz STXSEMKVUGEEQR-SJORKVTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000544394886 504117154 /nfs/dbraw/zinc/11/71/54/504117154.db2.gz STXSEMKVUGEEQR-SJORKVTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000544394886 504117160 /nfs/dbraw/zinc/11/71/60/504117160.db2.gz STXSEMKVUGEEQR-SJORKVTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000544394886 504117161 /nfs/dbraw/zinc/11/71/61/504117161.db2.gz STXSEMKVUGEEQR-SJORKVTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000544394872 504117485 /nfs/dbraw/zinc/11/74/85/504117485.db2.gz STXSEMKVUGEEQR-DLBZAZTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000544394872 504117491 /nfs/dbraw/zinc/11/74/91/504117491.db2.gz STXSEMKVUGEEQR-DLBZAZTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000544394872 504117498 /nfs/dbraw/zinc/11/74/98/504117498.db2.gz STXSEMKVUGEEQR-DLBZAZTESA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000544394872 504117503 /nfs/dbraw/zinc/11/75/03/504117503.db2.gz STXSEMKVUGEEQR-DLBZAZTESA-N 2 1 354.922 3.194 20 0 FGADMP CNC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519032479 504122400 /nfs/dbraw/zinc/12/24/00/504122400.db2.gz NFMZDRYOOYMABF-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)cc1 ZINC000519032479 504122404 /nfs/dbraw/zinc/12/24/04/504122404.db2.gz NFMZDRYOOYMABF-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519032479 504122407 /nfs/dbraw/zinc/12/24/07/504122407.db2.gz NFMZDRYOOYMABF-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000519032479 504122411 /nfs/dbraw/zinc/12/24/11/504122411.db2.gz NFMZDRYOOYMABF-SFHVURJKSA-N 2 1 371.550 3.370 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccc3N(C)C)CC2)C[C@H](C)O1 ZINC000530939828 504136400 /nfs/dbraw/zinc/13/64/00/504136400.db2.gz MQZXBVQPMWNJEZ-KDURUIRLSA-N 2 1 359.558 3.464 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000541543187 504170979 /nfs/dbraw/zinc/17/09/79/504170979.db2.gz XGAHSOCZXNKYRZ-JTHBVZDNSA-N 2 1 373.585 3.332 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000541543187 504170985 /nfs/dbraw/zinc/17/09/85/504170985.db2.gz XGAHSOCZXNKYRZ-JTHBVZDNSA-N 2 1 373.585 3.332 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](C)CC1 ZINC000528340775 504177276 /nfs/dbraw/zinc/17/72/76/504177276.db2.gz TYZYEOAXIOCMBP-FGZHOGPDSA-N 2 1 371.569 3.239 20 0 FGADMP C[C@H](C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000531079972 504182476 /nfs/dbraw/zinc/18/24/76/504182476.db2.gz BNHDXLIFQREOPC-FSZRXZPDSA-N 2 1 351.922 3.320 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528356748 504185511 /nfs/dbraw/zinc/18/55/11/504185511.db2.gz QPXLOVWGFOBBLY-UHFFFAOYSA-N 2 1 355.885 3.471 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000544623762 504195197 /nfs/dbraw/zinc/19/51/97/504195197.db2.gz DYPLJDDMTQAJQH-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396100 504234155 /nfs/dbraw/zinc/23/41/55/504234155.db2.gz QBDFKFHFBXEHDM-UWHLTILDSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396100 504234162 /nfs/dbraw/zinc/23/41/62/504234162.db2.gz QBDFKFHFBXEHDM-UWHLTILDSA-N 2 1 360.542 3.489 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC([NH+](C)C)CC1 ZINC000528485111 504242660 /nfs/dbraw/zinc/24/26/60/504242660.db2.gz AADXXFNXDOWQKR-TZIWHRDSSA-N 2 1 357.542 3.087 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296646 504256074 /nfs/dbraw/zinc/25/60/74/504256074.db2.gz YKWJXTSAODOLPJ-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000531296646 504256078 /nfs/dbraw/zinc/25/60/78/504256078.db2.gz YKWJXTSAODOLPJ-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000531296646 504256084 /nfs/dbraw/zinc/25/60/84/504256084.db2.gz YKWJXTSAODOLPJ-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568263 504256429 /nfs/dbraw/zinc/25/64/29/504256429.db2.gz QMCHHHZWRMPVEG-RBDMOPTHSA-N 2 1 356.485 3.229 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000541816481 504263370 /nfs/dbraw/zinc/26/33/70/504263370.db2.gz FQBVIOZYGHDKEZ-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000531318512 504264931 /nfs/dbraw/zinc/26/49/31/504264931.db2.gz TZBKLOUWIAXIIW-JLSDUUJJSA-N 2 1 366.937 3.067 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2ccccc2)CC1 ZINC000541842221 504272055 /nfs/dbraw/zinc/27/20/55/504272055.db2.gz YOXFBFBGQWUVIC-NRFANRHFSA-N 2 1 366.509 3.351 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000528560918 504273035 /nfs/dbraw/zinc/27/30/35/504273035.db2.gz PCTSRHUSEVMYGH-FGZHOGPDSA-N 2 1 371.569 3.335 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000531343423 504273370 /nfs/dbraw/zinc/27/33/70/504273370.db2.gz MTXQTORMFBQUMU-MRXNPFEDSA-N 2 1 355.320 3.382 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650615 504314415 /nfs/dbraw/zinc/31/44/15/504314415.db2.gz PEUUPIWZFXDISN-ATZDWAIDSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650615 504314419 /nfs/dbraw/zinc/31/44/19/504314419.db2.gz PEUUPIWZFXDISN-ATZDWAIDSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650615 504314422 /nfs/dbraw/zinc/31/44/22/504314422.db2.gz PEUUPIWZFXDISN-ATZDWAIDSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000528650615 504314427 /nfs/dbraw/zinc/31/44/27/504314427.db2.gz PEUUPIWZFXDISN-ATZDWAIDSA-N 2 1 363.933 3.246 20 0 FGADMP c1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000535086522 504340135 /nfs/dbraw/zinc/34/01/35/504340135.db2.gz AYLDFBVSTQGSBA-PZJWPPBQSA-N 2 1 358.526 3.389 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000538749764 504356488 /nfs/dbraw/zinc/35/64/88/504356488.db2.gz FCWZAUUOKCEISX-FQEVSTJZSA-N 2 1 372.513 3.018 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000542152035 504383149 /nfs/dbraw/zinc/38/31/49/504383149.db2.gz CETAMHFYPKQVNZ-SFHVURJKSA-N 2 1 352.906 3.208 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000538850188 504393076 /nfs/dbraw/zinc/39/30/76/504393076.db2.gz RJGCQLRDMDLWSM-KRWDZBQOSA-N 2 1 364.965 3.056 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(F)cc1 ZINC000531696881 504396273 /nfs/dbraw/zinc/39/62/73/504396273.db2.gz AAMMSBHBZVAJJB-JMUQELJHSA-N 2 1 370.512 3.477 20 0 FGADMP O[C@@H](C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)C[NH+]1CCCC1 ZINC000531701897 504396520 /nfs/dbraw/zinc/39/65/20/504396520.db2.gz MJHUBMIILGNUPE-LEWJYISDSA-N 2 1 360.448 3.295 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000520272329 504451561 /nfs/dbraw/zinc/45/15/61/504451561.db2.gz YLXYLTZBVPBDMT-ICSRJNTNSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(OCCO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481466 504460595 /nfs/dbraw/zinc/46/05/95/504460595.db2.gz QOSYREVDWKXOMF-GHTZIAJQSA-N 2 1 354.494 3.058 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000531946284 504483107 /nfs/dbraw/zinc/48/31/07/504483107.db2.gz GVNINHUFCHIIOQ-ORYQWCPZSA-N 2 1 350.510 3.285 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000531946284 504483113 /nfs/dbraw/zinc/48/31/13/504483113.db2.gz GVNINHUFCHIIOQ-ORYQWCPZSA-N 2 1 350.510 3.285 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000528989065 504484877 /nfs/dbraw/zinc/48/48/77/504484877.db2.gz NWWUPDJESLYUKN-SFHVURJKSA-N 2 1 374.529 3.074 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542450685 504494033 /nfs/dbraw/zinc/49/40/33/504494033.db2.gz IEWXRZYOQVAHIX-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535679960 504505746 /nfs/dbraw/zinc/50/57/46/504505746.db2.gz LKNPRRCUXHCAML-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000520577841 504532948 /nfs/dbraw/zinc/53/29/48/504532948.db2.gz DGIGSUVQOGEJMY-IAGOWNOFSA-N 2 1 360.546 3.376 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@@H]2CNC(=O)Nc2c(C)ccnc2C)cc1 ZINC000529095636 504533444 /nfs/dbraw/zinc/53/34/44/504533444.db2.gz VUBPGMYURWCJHG-QGZVFWFLSA-N 2 1 354.454 3.103 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000539408027 504562323 /nfs/dbraw/zinc/56/23/23/504562323.db2.gz RPFQJSPGMZMWBI-KRWDZBQOSA-N 2 1 362.543 3.081 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000532219045 504576253 /nfs/dbraw/zinc/57/62/53/504576253.db2.gz DPGAPYJNDBIZPO-LBPRGKRZSA-N 2 1 354.376 3.217 20 0 FGADMP C[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1cccs1 ZINC000542715953 504586611 /nfs/dbraw/zinc/58/66/11/504586611.db2.gz LGQAWUBWYVHIQJ-YWZLYKJASA-N 2 1 372.538 3.023 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1cccs1 ZINC000542715953 504586616 /nfs/dbraw/zinc/58/66/16/504586616.db2.gz LGQAWUBWYVHIQJ-YWZLYKJASA-N 2 1 372.538 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccccc2CC[NH3+])cc1 ZINC000520830575 504591450 /nfs/dbraw/zinc/59/14/50/504591450.db2.gz OBRFGYIRVPJYLJ-SFHVURJKSA-N 2 1 365.521 3.492 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000542849805 504633061 /nfs/dbraw/zinc/63/30/61/504633061.db2.gz SFHCEMNKNSZSEF-BHIFYINESA-N 2 1 372.553 3.471 20 0 FGADMP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000521056380 504638984 /nfs/dbraw/zinc/63/89/84/504638984.db2.gz CABVVBOOXPGDKZ-CRAIPNDOSA-N 2 1 351.922 3.181 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061679 504640806 /nfs/dbraw/zinc/64/08/06/504640806.db2.gz LDEJJSCHSKODTE-XLIONFOSSA-N 2 1 369.509 3.226 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061679 504640810 /nfs/dbraw/zinc/64/08/10/504640810.db2.gz LDEJJSCHSKODTE-XLIONFOSSA-N 2 1 369.509 3.226 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532522459 504680982 /nfs/dbraw/zinc/68/09/82/504680982.db2.gz SNLAXZMJULXFLG-XJKCOSOUSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532522459 504680986 /nfs/dbraw/zinc/68/09/86/504680986.db2.gz SNLAXZMJULXFLG-XJKCOSOUSA-N 2 1 368.319 3.239 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000539849266 504717345 /nfs/dbraw/zinc/71/73/45/504717345.db2.gz QMYCNIUJNIVJNE-OAHLLOKOSA-N 2 1 360.420 3.360 20 0 FGADMP O[C@H](C[NH2+][C@H](Cc1cccnc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000546163980 504730903 /nfs/dbraw/zinc/73/09/03/504730903.db2.gz UWECTDPGXUTHOZ-WOJBJXKFSA-N 2 1 359.901 3.065 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]C/C=C/c2ccc(F)cc2)c2cccs2)CC1 ZINC000532671657 504731099 /nfs/dbraw/zinc/73/10/99/504731099.db2.gz VQEUHVJKIHOMOJ-GVTIMSHASA-N 2 1 359.514 3.479 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccccc2[nH]1 ZINC000536500297 504748786 /nfs/dbraw/zinc/74/87/86/504748786.db2.gz GDVLVZVMSNFTIX-UHFFFAOYSA-N 2 1 355.530 3.195 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521587616 504760539 /nfs/dbraw/zinc/76/05/39/504760539.db2.gz JDWDPFKXLDLLLT-ZCNNSNEGSA-N 2 1 371.569 3.381 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+](Cc3ccccc3C)CC2)nc1 ZINC000556049843 504787398 /nfs/dbraw/zinc/78/73/98/504787398.db2.gz HMGFUDPPDSCOCW-UHFFFAOYSA-N 2 1 366.509 3.281 20 0 FGADMP COc1cccc(C[N@H+](CCCc2c[nH+]cn2C)C2CCC(O)CC2)c1 ZINC000565159199 504811328 /nfs/dbraw/zinc/81/13/28/504811328.db2.gz XIBPKSJMQQFYDK-UHFFFAOYSA-N 2 1 357.498 3.167 20 0 FGADMP COc1cccc(C[N@@H+](CCCc2c[nH+]cn2C)C2CCC(O)CC2)c1 ZINC000565159199 504811331 /nfs/dbraw/zinc/81/13/31/504811331.db2.gz XIBPKSJMQQFYDK-UHFFFAOYSA-N 2 1 357.498 3.167 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(F)cc1 ZINC000565172873 504816591 /nfs/dbraw/zinc/81/65/91/504816591.db2.gz PTMHJBLQPKDUFB-UHFFFAOYSA-N 2 1 361.505 3.375 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000553169931 504842723 /nfs/dbraw/zinc/84/27/23/504842723.db2.gz IPCRZVVUHGMTHP-NRSPTQNISA-N 2 1 355.526 3.126 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000553368386 504896249 /nfs/dbraw/zinc/89/62/49/504896249.db2.gz FIIOFQAWRVSCKR-SFHVURJKSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)NCc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000553368386 504896253 /nfs/dbraw/zinc/89/62/53/504896253.db2.gz FIIOFQAWRVSCKR-SFHVURJKSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCC[NH2+]C1 ZINC000565475006 504897824 /nfs/dbraw/zinc/89/78/24/504897824.db2.gz HYJQEFIXXORBJB-HUBLWGQQSA-N 2 1 356.297 3.076 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559743765 504921023 /nfs/dbraw/zinc/92/10/23/504921023.db2.gz UTVDMPDNXGCALB-LEWJYISDSA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000559743765 504921027 /nfs/dbraw/zinc/92/10/27/504921027.db2.gz UTVDMPDNXGCALB-LEWJYISDSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CCC2)C1 ZINC000553525481 504940202 /nfs/dbraw/zinc/94/02/02/504940202.db2.gz BGTOQGNRGHJXFN-TZIWHRDSSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525481 504940208 /nfs/dbraw/zinc/94/02/08/504940208.db2.gz BGTOQGNRGHJXFN-TZIWHRDSSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CCC2)C1 ZINC000553525481 504940214 /nfs/dbraw/zinc/94/02/14/504940214.db2.gz BGTOQGNRGHJXFN-TZIWHRDSSA-N 2 1 369.553 3.231 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553598622 504959262 /nfs/dbraw/zinc/95/92/62/504959262.db2.gz DJLXCFPXYAQVMF-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000556837673 504990397 /nfs/dbraw/zinc/99/03/97/504990397.db2.gz OQCMTBXKEVZHBA-AWEZNQCLSA-N 2 1 352.404 3.323 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000556837673 504990400 /nfs/dbraw/zinc/99/04/00/504990400.db2.gz OQCMTBXKEVZHBA-AWEZNQCLSA-N 2 1 352.404 3.323 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000562939784 504994832 /nfs/dbraw/zinc/99/48/32/504994832.db2.gz WFNMNRHTTPEQFK-GLOJMNGXSA-N 2 1 369.553 3.168 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1)C1CC1 ZINC000553774983 505006035 /nfs/dbraw/zinc/00/60/35/505006035.db2.gz PKQHTZXQCKLECW-DYESRHJHSA-N 2 1 355.526 3.370 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C[C@@H](c2ccccc2)C1 ZINC000553780958 505007199 /nfs/dbraw/zinc/00/71/99/505007199.db2.gz DEOCVHBCQVMAAU-NRDMVMEKSA-N 2 1 357.542 3.136 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](c2ccccc2)C1 ZINC000553782443 505008403 /nfs/dbraw/zinc/00/84/03/505008403.db2.gz XFMAFNCAFWHTGC-CZTZKLFOSA-N 2 1 371.569 3.491 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1 ZINC000562989058 505012151 /nfs/dbraw/zinc/01/21/51/505012151.db2.gz DRBAWSWVNQZHGH-RTBURBONSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000562989058 505012157 /nfs/dbraw/zinc/01/21/57/505012157.db2.gz DRBAWSWVNQZHGH-RTBURBONSA-N 2 1 374.550 3.298 20 0 FGADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(I)c2)CC1 ZINC000560261145 505032500 /nfs/dbraw/zinc/03/25/00/505032500.db2.gz JNEPGBVHXMTEDU-UHFFFAOYSA-N 2 1 358.267 3.207 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(I)c2)CC1 ZINC000560261145 505032506 /nfs/dbraw/zinc/03/25/06/505032506.db2.gz JNEPGBVHXMTEDU-UHFFFAOYSA-N 2 1 358.267 3.207 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553892954 505035377 /nfs/dbraw/zinc/03/53/77/505035377.db2.gz IHZYQKXVQPSLHX-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553892954 505035379 /nfs/dbraw/zinc/03/53/79/505035379.db2.gz IHZYQKXVQPSLHX-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000553892954 505035383 /nfs/dbraw/zinc/03/53/83/505035383.db2.gz IHZYQKXVQPSLHX-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000563135984 505058516 /nfs/dbraw/zinc/05/85/16/505058516.db2.gz XHLPETQOERYRQX-IYBDPMFKSA-N 2 1 373.522 3.162 20 0 FGADMP COC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000554050849 505076168 /nfs/dbraw/zinc/07/61/68/505076168.db2.gz VUHFSFATBDERJL-GOTSBHOMSA-N 2 1 367.537 3.343 20 0 FGADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629885 505076633 /nfs/dbraw/zinc/07/66/33/505076633.db2.gz XCXAPYNCWOGTOR-YYWHXJBOSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(C)[C@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629885 505076638 /nfs/dbraw/zinc/07/66/38/505076638.db2.gz XCXAPYNCWOGTOR-YYWHXJBOSA-N 2 1 351.494 3.116 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](CO)Cc2ccco2)CC1 ZINC000560514927 505110392 /nfs/dbraw/zinc/11/03/92/505110392.db2.gz KFGPILPDKAWZOU-MWXLCCTBSA-N 2 1 356.510 3.463 20 0 FGADMP C[C@H]1CC2(CN1C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209644 505113096 /nfs/dbraw/zinc/11/30/96/505113096.db2.gz UUBSEIWAEICJRN-HKUYNNGSSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245799 505122365 /nfs/dbraw/zinc/12/23/65/505122365.db2.gz SYWHPNPFUXIMCW-CWLKWCNXSA-N 2 1 363.933 3.227 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000560548097 505122496 /nfs/dbraw/zinc/12/24/96/505122496.db2.gz KTTQGUKYYBRDBR-YESZJQIVSA-N 2 1 352.320 3.323 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245800 505122698 /nfs/dbraw/zinc/12/26/98/505122698.db2.gz SYWHPNPFUXIMCW-LAQRGFTBSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566245357 505123063 /nfs/dbraw/zinc/12/30/63/505123063.db2.gz OEWBROHIMHHFCK-NXHRZFHOSA-N 2 1 363.933 3.181 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000563375891 505125643 /nfs/dbraw/zinc/12/56/43/505125643.db2.gz GSTJOOLSMYAUBL-QGZVFWFLSA-N 2 1 369.513 3.071 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc3c1C[N@H+](CC(C)C)C3)CC2 ZINC000566332381 505146249 /nfs/dbraw/zinc/14/62/49/505146249.db2.gz GDCPXORVRRONHU-KRWDZBQOSA-N 2 1 352.482 3.364 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc3c1C[N@@H+](CC(C)C)C3)CC2 ZINC000566332381 505146254 /nfs/dbraw/zinc/14/62/54/505146254.db2.gz GDCPXORVRRONHU-KRWDZBQOSA-N 2 1 352.482 3.364 20 0 FGADMP Ic1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000551188163 505174168 /nfs/dbraw/zinc/17/41/68/505174168.db2.gz BOZUEJZSGMNVBW-UHFFFAOYSA-N 2 1 370.278 3.398 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560799158 505187976 /nfs/dbraw/zinc/18/79/76/505187976.db2.gz BWMZEGYMOXWHBJ-RBSFLKMASA-N 2 1 365.484 3.132 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560799158 505187981 /nfs/dbraw/zinc/18/79/81/505187981.db2.gz BWMZEGYMOXWHBJ-RBSFLKMASA-N 2 1 365.484 3.132 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560799158 505187987 /nfs/dbraw/zinc/18/79/87/505187987.db2.gz BWMZEGYMOXWHBJ-RBSFLKMASA-N 2 1 365.484 3.132 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1 ZINC000563669527 505206578 /nfs/dbraw/zinc/20/65/78/505206578.db2.gz GWUNKLJDZNPPAI-PXNSSMCTSA-N 2 1 374.916 3.244 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881272 505265788 /nfs/dbraw/zinc/26/57/88/505265788.db2.gz FDPWHKLUVVXKDJ-BEFAXECRSA-N 2 1 358.511 3.144 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@H]1c1cccs1 ZINC000563881272 505265792 /nfs/dbraw/zinc/26/57/92/505265792.db2.gz FDPWHKLUVVXKDJ-BEFAXECRSA-N 2 1 358.511 3.144 20 0 FGADMP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856264 505282923 /nfs/dbraw/zinc/28/29/23/505282923.db2.gz NOQJUQQNNYJOPJ-AZUAARDMSA-N 2 1 357.542 3.326 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)cc1 ZINC000554882254 505289270 /nfs/dbraw/zinc/28/92/70/505289270.db2.gz JPASUJUBYWCBPS-KRWDZBQOSA-N 2 1 355.473 3.136 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@@H+](CCOCC3CC3)C2)C1)OCC1CC1 ZINC000554945236 505305975 /nfs/dbraw/zinc/30/59/75/505305975.db2.gz FDZXOCRCAHPRKD-UHFFFAOYSA-N 2 1 350.547 3.018 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@H+](CCOCC3CC3)C2)C1)OCC1CC1 ZINC000554945236 505305981 /nfs/dbraw/zinc/30/59/81/505305981.db2.gz FDZXOCRCAHPRKD-UHFFFAOYSA-N 2 1 350.547 3.018 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000551805564 505313109 /nfs/dbraw/zinc/31/31/09/505313109.db2.gz VFELRUHEKLPCLV-NMNUPHIUSA-N 2 1 367.537 3.408 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000551805564 505313110 /nfs/dbraw/zinc/31/31/10/505313110.db2.gz VFELRUHEKLPCLV-NMNUPHIUSA-N 2 1 367.537 3.408 20 0 FGADMP CN(C[C@H](O)C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C1CC1 ZINC000564202686 505351751 /nfs/dbraw/zinc/35/17/51/505351751.db2.gz VUUCJBRSDWPGLC-GFCCVEGCSA-N 2 1 367.704 3.070 20 0 FGADMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000552054193 505384040 /nfs/dbraw/zinc/38/40/40/505384040.db2.gz NSEWAOBLBRQLCB-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3c(O)cccc32)c2cccs2)CC1 ZINC000555245319 505390004 /nfs/dbraw/zinc/39/00/04/505390004.db2.gz LKJZNYDTXBFEIW-MOPGFXCFSA-N 2 1 371.550 3.409 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000552071563 505390603 /nfs/dbraw/zinc/39/06/03/505390603.db2.gz OROLSEWBDYTXOB-HIFRSBDPSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000552071563 505390607 /nfs/dbraw/zinc/39/06/07/505390607.db2.gz OROLSEWBDYTXOB-HIFRSBDPSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000552071563 505390608 /nfs/dbraw/zinc/39/06/08/505390608.db2.gz OROLSEWBDYTXOB-HIFRSBDPSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000552071563 505390612 /nfs/dbraw/zinc/39/06/12/505390612.db2.gz OROLSEWBDYTXOB-HIFRSBDPSA-N 2 1 360.454 3.143 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1 ZINC000552090828 505395992 /nfs/dbraw/zinc/39/59/92/505395992.db2.gz VEDJULZAOABERF-FQEVSTJZSA-N 2 1 367.965 3.423 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cnc(SC2CCCC2)nc1 ZINC000555637135 505482001 /nfs/dbraw/zinc/48/20/01/505482001.db2.gz ASVSZNCRLXVRCE-UHFFFAOYSA-N 2 1 357.527 3.305 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCc3ccccc3C)CC2)CC1 ZINC000567626861 505518514 /nfs/dbraw/zinc/51/85/14/505518514.db2.gz ZCJUKNGESYXFGT-UHFFFAOYSA-N 2 1 371.569 3.192 20 0 FGADMP C/C=C/c1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690109 505537723 /nfs/dbraw/zinc/53/77/23/505537723.db2.gz YLMMCCHXXXNWQY-OGOPWIGYSA-N 2 1 374.525 3.073 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000567688608 505537893 /nfs/dbraw/zinc/53/78/93/505537893.db2.gz USVCMMURNLCHKO-IRXDYDNUSA-N 2 1 354.922 3.037 20 0 FGADMP CC(C)N1CC[C@@H]([NH2+]CCCc2c[nH+]cn2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567748008 505555716 /nfs/dbraw/zinc/55/57/16/505555716.db2.gz HKVWTDHBGGNMIA-UXHICEINSA-N 2 1 362.468 3.445 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818318 505559540 /nfs/dbraw/zinc/55/95/40/505559540.db2.gz JZXMLSBRJNCRCS-NQIIRXRSSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818320 505559700 /nfs/dbraw/zinc/55/97/00/505559700.db2.gz JZXMLSBRJNCRCS-WIYYLYMNSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000564938735 505561879 /nfs/dbraw/zinc/56/18/79/505561879.db2.gz SHCXGVQJODUBHH-UEXGIBASSA-N 2 1 372.557 3.012 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1C[C@H](C)n2ccnc21 ZINC000567847130 505567965 /nfs/dbraw/zinc/56/79/65/505567965.db2.gz ZILBTTKTFLKSBW-YJBOKZPZSA-N 2 1 355.486 3.229 20 0 FGADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000567871982 505569556 /nfs/dbraw/zinc/56/95/56/505569556.db2.gz MMVKVBRAYQEVPP-INIZCTEOSA-N 2 1 364.559 3.010 20 0 FGADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cnc(C2CCCCC2)s1 ZINC000567871982 505569557 /nfs/dbraw/zinc/56/95/57/505569557.db2.gz MMVKVBRAYQEVPP-INIZCTEOSA-N 2 1 364.559 3.010 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567896711 505570492 /nfs/dbraw/zinc/57/04/92/505570492.db2.gz KGXVBUUSFXBVKV-MAUKXSAKSA-N 2 1 350.532 3.365 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000608061596 506402386 /nfs/dbraw/zinc/40/23/86/506402386.db2.gz ZKBNOZWAOHICCN-LPHOPBHVSA-N 2 1 355.482 3.242 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000608061596 506402394 /nfs/dbraw/zinc/40/23/94/506402394.db2.gz ZKBNOZWAOHICCN-LPHOPBHVSA-N 2 1 355.482 3.242 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000589221103 506491003 /nfs/dbraw/zinc/49/10/03/506491003.db2.gz OZOWRKCTTRRQHF-MRXNPFEDSA-N 2 1 368.953 3.144 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000583116757 506596918 /nfs/dbraw/zinc/59/69/18/506596918.db2.gz JTVMLLLYUKHWDY-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000583116757 506596930 /nfs/dbraw/zinc/59/69/30/506596930.db2.gz JTVMLLLYUKHWDY-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000583116757 506596935 /nfs/dbraw/zinc/59/69/35/506596935.db2.gz JTVMLLLYUKHWDY-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000608624035 506637031 /nfs/dbraw/zinc/63/70/31/506637031.db2.gz CDLLLKXSAQHVDW-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCc1ccc([C@@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000589906932 506676562 /nfs/dbraw/zinc/67/65/62/506676562.db2.gz BYDUUAXLAIWOLC-MRXNPFEDSA-N 2 1 352.482 3.138 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999817 506702269 /nfs/dbraw/zinc/70/22/69/506702269.db2.gz XMJLEVAIMHLUFT-UHFFFAOYSA-N 2 1 357.473 3.026 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078972 506727436 /nfs/dbraw/zinc/72/74/36/506727436.db2.gz MJJHOAANWVNUTN-TZIWHRDSSA-N 2 1 372.557 3.387 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000583348830 506729483 /nfs/dbraw/zinc/72/94/83/506729483.db2.gz HDIGZCMBQWLPKC-CABCVRRESA-N 2 1 367.921 3.386 20 0 FGADMP CCOC(=O)[C@@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000597238403 506852970 /nfs/dbraw/zinc/85/29/70/506852970.db2.gz IHVZQSGNSSFMNE-UNMCSNQZSA-N 2 1 358.526 3.405 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4cc(Cl)cnc4o3)C2)CC1 ZINC000590640498 506893416 /nfs/dbraw/zinc/89/34/16/506893416.db2.gz IQVLNSVPIHYFIK-QGZVFWFLSA-N 2 1 362.905 3.082 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000594105050 506940890 /nfs/dbraw/zinc/94/08/90/506940890.db2.gz WYUQRGYNLLJWOF-ZVDOUQERSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000594105050 506940896 /nfs/dbraw/zinc/94/08/96/506940896.db2.gz WYUQRGYNLLJWOF-ZVDOUQERSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594105050 506940904 /nfs/dbraw/zinc/94/09/04/506940904.db2.gz WYUQRGYNLLJWOF-ZVDOUQERSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786642 506942714 /nfs/dbraw/zinc/94/27/14/506942714.db2.gz FRTYDTXKBRCWNC-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC000594512101 507163014 /nfs/dbraw/zinc/16/30/14/507163014.db2.gz IDOAEVFOUPVVRY-MRXNPFEDSA-N 2 1 364.505 3.400 20 0 FGADMP C[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000601007929 507226257 /nfs/dbraw/zinc/22/62/57/507226257.db2.gz RVKDLHLMSSGEJU-JOCHJYFZSA-N 2 1 371.569 3.322 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000584309810 507271183 /nfs/dbraw/zinc/27/11/83/507271183.db2.gz ZBTQRPRSHVDRLZ-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000584323904 507278857 /nfs/dbraw/zinc/27/88/57/507278857.db2.gz NGKFZZBMEUXGDL-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323904 507278868 /nfs/dbraw/zinc/27/88/68/507278868.db2.gz NGKFZZBMEUXGDL-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323904 507278878 /nfs/dbraw/zinc/27/88/78/507278878.db2.gz NGKFZZBMEUXGDL-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595001551 507348165 /nfs/dbraw/zinc/34/81/65/507348165.db2.gz WXKQDULYVMMZED-VBSBHUPXSA-N 2 1 356.510 3.076 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666935 507474382 /nfs/dbraw/zinc/47/43/82/507474382.db2.gz VQAQAPOTVQKYSS-PZJWPPBQSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666935 507474388 /nfs/dbraw/zinc/47/43/88/507474388.db2.gz VQAQAPOTVQKYSS-PZJWPPBQSA-N 2 1 374.573 3.411 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606684419 507478534 /nfs/dbraw/zinc/47/85/34/507478534.db2.gz VHWFYMKQCHPOMO-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606684419 507478537 /nfs/dbraw/zinc/47/85/37/507478537.db2.gz VHWFYMKQCHPOMO-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606684419 507478540 /nfs/dbraw/zinc/47/85/40/507478540.db2.gz VHWFYMKQCHPOMO-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP CC(C)(C)OC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000611274399 507599246 /nfs/dbraw/zinc/59/92/46/507599246.db2.gz UBEIAGLTHZJLOP-LJQANCHMSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000595627242 507600198 /nfs/dbraw/zinc/60/01/98/507600198.db2.gz PQGNSXSYXHSIQQ-CABCVRRESA-N 2 1 367.371 3.046 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481438 507674401 /nfs/dbraw/zinc/67/44/01/507674401.db2.gz JQFRMGHZJMLXTM-QUCCMNQESA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490840 507678101 /nfs/dbraw/zinc/67/81/01/507678101.db2.gz PBEWEQQNXBGNKD-QUCCMNQESA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054540 724385206 /nfs/dbraw/zinc/38/52/06/724385206.db2.gz PZIOUIUIJNMXGZ-SQNIBIBYSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(-c2nn[nH]n2)ccc1F ZINC000736558239 598509817 /nfs/dbraw/zinc/50/98/17/598509817.db2.gz GADMCIWOWICELK-UHFFFAOYSA-N 2 1 368.460 3.090 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824875216 609328150 /nfs/dbraw/zinc/32/81/50/609328150.db2.gz JRXLYMKLUDXVGM-XHSDSOJGSA-N 2 1 374.508 3.415 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000123114096 700700269 /nfs/dbraw/zinc/70/02/69/700700269.db2.gz OKBWXXQWXXOKFG-KURKYZTESA-N 2 1 353.551 3.390 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)CC1 ZINC000161614495 705278930 /nfs/dbraw/zinc/27/89/30/705278930.db2.gz RVLAQMZJNLFUMC-INIZCTEOSA-N 2 1 350.503 3.245 20 0 FGADMP COc1ccc(Br)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000237134251 713588445 /nfs/dbraw/zinc/58/84/45/713588445.db2.gz IHWJJCLUSHAJTP-LBPRGKRZSA-N 2 1 352.276 3.389 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043069 713662918 /nfs/dbraw/zinc/66/29/18/713662918.db2.gz VGLOXKFBUGXBMZ-BZSNNMDCSA-N 2 1 351.535 3.286 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000310763992 713800572 /nfs/dbraw/zinc/80/05/72/713800572.db2.gz NGVUITXLRGUKEA-HXUWFJFHSA-N 2 1 351.535 3.240 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000317665642 713807995 /nfs/dbraw/zinc/80/79/95/713807995.db2.gz DXAPSZKOCHCFSW-DQVOVIAYSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000317665642 713808001 /nfs/dbraw/zinc/80/80/01/713808001.db2.gz DXAPSZKOCHCFSW-DQVOVIAYSA-N 2 1 365.315 3.148 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000378880082 713974914 /nfs/dbraw/zinc/97/49/14/713974914.db2.gz FNDONFDFYIPEKH-FJIDUMEYSA-N 2 1 351.535 3.286 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309690 714003921 /nfs/dbraw/zinc/00/39/21/714003921.db2.gz YKNDOBXARXSSHX-XCDZQEORSA-N 2 1 350.453 3.320 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)NCCC[N@@H+](C)C1CCCCC1)C(C)(C)C ZINC000522612345 714195326 /nfs/dbraw/zinc/19/53/26/714195326.db2.gz UWHYQJYKMPFLMA-GOSISDBHSA-N 2 1 354.583 3.307 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000523194583 714222264 /nfs/dbraw/zinc/22/22/64/714222264.db2.gz FTMBYBMNLXAWKT-SFHVURJKSA-N 2 1 368.953 3.362 20 0 FGADMP C[C@H](N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372960 714457464 /nfs/dbraw/zinc/45/74/64/714457464.db2.gz MQKJVSBCLXZURR-LESCRADOSA-N 2 1 355.448 3.257 20 0 FGADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000575372960 714457467 /nfs/dbraw/zinc/45/74/67/714457467.db2.gz MQKJVSBCLXZURR-LESCRADOSA-N 2 1 355.448 3.257 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920115 714471067 /nfs/dbraw/zinc/47/10/67/714471067.db2.gz BMMLTEHRQNYOJX-RLLQIKCJSA-N 2 1 361.917 3.478 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1O ZINC000642630936 717985830 /nfs/dbraw/zinc/98/58/30/717985830.db2.gz RRKUWOQSGVNRCS-UONOGXRCSA-N 2 1 369.303 3.270 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1O ZINC000642630936 717985833 /nfs/dbraw/zinc/98/58/33/717985833.db2.gz RRKUWOQSGVNRCS-UONOGXRCSA-N 2 1 369.303 3.270 20 0 FGADMP Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000617507459 714663547 /nfs/dbraw/zinc/66/35/47/714663547.db2.gz XKUZGYXOUMVTOC-AWEZNQCLSA-N 2 1 362.543 3.053 20 0 FGADMP Cc1ccc(-c2c[nH]cc2C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617507459 714663548 /nfs/dbraw/zinc/66/35/48/714663548.db2.gz XKUZGYXOUMVTOC-AWEZNQCLSA-N 2 1 362.543 3.053 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC[NH2+]1 ZINC000643525825 718038253 /nfs/dbraw/zinc/03/82/53/718038253.db2.gz SAFORWGVZOWASL-BASLNEPJSA-N 2 1 353.304 3.399 20 0 FGADMP CN1C(=O)C[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472195 715343142 /nfs/dbraw/zinc/34/31/42/715343142.db2.gz HUGWUJUDWSTLCB-RPVQJOFSSA-N 2 1 367.896 3.213 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000623472195 715343156 /nfs/dbraw/zinc/34/31/56/715343156.db2.gz HUGWUJUDWSTLCB-RPVQJOFSSA-N 2 1 367.896 3.213 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478624 715344447 /nfs/dbraw/zinc/34/44/47/715344447.db2.gz RZXUCKONRWXZEY-STQMWFEESA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478624 715344452 /nfs/dbraw/zinc/34/44/52/715344452.db2.gz RZXUCKONRWXZEY-STQMWFEESA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509572 715350988 /nfs/dbraw/zinc/35/09/88/715350988.db2.gz JEJFFZAHRFVRKL-HOTGVXAUSA-N 2 1 366.347 3.490 20 0 FGADMP COc1cc(OC)c(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538601 715357495 /nfs/dbraw/zinc/35/74/95/715357495.db2.gz LDHCCTDVGSACGX-LSDHHAIUSA-N 2 1 350.503 3.106 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3scnc32)c2cccs2)CC1 ZINC000623848913 715414877 /nfs/dbraw/zinc/41/48/77/715414877.db2.gz OPGURAZVTDFDFZ-LSDHHAIUSA-N 2 1 362.568 3.160 20 0 FGADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3([NH3+])CCOCC3)s2)cc1 ZINC000629521639 716302768 /nfs/dbraw/zinc/30/27/68/716302768.db2.gz PRTDJISEOFSSPW-CYBMUJFWSA-N 2 1 361.511 3.286 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Oc2ccccc2F)c(F)c1 ZINC000629571786 716310952 /nfs/dbraw/zinc/31/09/52/716310952.db2.gz QMKVNHUZGRRGLW-UHFFFAOYSA-N 2 1 350.409 3.425 20 0 FGADMP O[C@@H](C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C[NH+]1CCCC1 ZINC000629574495 716310971 /nfs/dbraw/zinc/31/09/71/716310971.db2.gz JUWNIJJPVQQANP-KRWDZBQOSA-N 2 1 365.930 3.052 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000629653283 716329564 /nfs/dbraw/zinc/32/95/64/716329564.db2.gz JZOCGWJIZDIHIU-UHFFFAOYSA-N 2 1 369.225 3.136 20 0 FGADMP C[NH+]1CCN(CCCC[NH2+]Cc2cccc(Br)c2Cl)CC1 ZINC000631040088 716553172 /nfs/dbraw/zinc/55/31/72/716553172.db2.gz GLFWDCYWHBLDHI-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP CCCCn1nc(C)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1Cl ZINC000769384588 723683860 /nfs/dbraw/zinc/68/38/60/723683860.db2.gz RJJMTTAIONOKLF-UHFFFAOYSA-N 2 1 356.942 3.188 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000638508983 717453318 /nfs/dbraw/zinc/45/33/18/717453318.db2.gz PUBRKCFDCCWNLM-SJLPKXTDSA-N 2 1 364.555 3.160 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000638716536 717479250 /nfs/dbraw/zinc/47/92/50/717479250.db2.gz LUNVLXKXCOWLIH-QGZVFWFLSA-N 2 1 352.567 3.203 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639176175 717528152 /nfs/dbraw/zinc/52/81/52/717528152.db2.gz YZIVOEXQPNEMTC-UHFFFAOYSA-N 2 1 355.408 3.265 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000639176175 717528158 /nfs/dbraw/zinc/52/81/58/717528158.db2.gz YZIVOEXQPNEMTC-UHFFFAOYSA-N 2 1 355.408 3.265 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000639758508 717598920 /nfs/dbraw/zinc/59/89/20/717598920.db2.gz VROVJPXAIQDBIK-QGZVFWFLSA-N 2 1 356.432 3.027 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759799 717599247 /nfs/dbraw/zinc/59/92/47/717599247.db2.gz JWLRXZDDVAMEPZ-LPHOPBHVSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640568512 717767641 /nfs/dbraw/zinc/76/76/41/717767641.db2.gz SECDTDHWWBFOTH-SJORKVTESA-N 2 1 355.404 3.096 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000644647911 718137920 /nfs/dbraw/zinc/13/79/20/718137920.db2.gz KDSWICNCOHYVOR-FGTMMUONSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000644647911 718137922 /nfs/dbraw/zinc/13/79/22/718137922.db2.gz KDSWICNCOHYVOR-FGTMMUONSA-N 2 1 358.448 3.438 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903617 718385444 /nfs/dbraw/zinc/38/54/44/718385444.db2.gz NCVMDPRIEMUQDU-NVXWUHKLSA-N 2 1 360.889 3.397 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975618 718390865 /nfs/dbraw/zinc/39/08/65/718390865.db2.gz CRDKZPAQGMDIOB-SJLPKXTDSA-N 2 1 363.933 3.058 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977033 718391442 /nfs/dbraw/zinc/39/14/42/718391442.db2.gz XEXQRMYSRFTSCK-RBSFLKMASA-N 2 1 351.441 3.003 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978028 718391735 /nfs/dbraw/zinc/39/17/35/718391735.db2.gz LKOBNKKKGVHGOP-JTDSTZFVSA-N 2 1 361.917 3.157 20 0 FGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000648714238 718445932 /nfs/dbraw/zinc/44/59/32/718445932.db2.gz QIJXQUHEXJFVNJ-FQEVSTJZSA-N 2 1 362.901 3.446 20 0 FGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000648719833 718446435 /nfs/dbraw/zinc/44/64/35/718446435.db2.gz NULIDXXQHMGMLJ-JKSUJKDBSA-N 2 1 360.527 3.411 20 0 FGADMP CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000649331635 718505211 /nfs/dbraw/zinc/50/52/11/718505211.db2.gz HUVDKPMEVOMCDQ-QGZVFWFLSA-N 2 1 351.922 3.328 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603279 718536678 /nfs/dbraw/zinc/53/66/78/718536678.db2.gz DSLNDMWFLBEMBQ-SFHVURJKSA-N 2 1 363.571 3.213 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603279 718536685 /nfs/dbraw/zinc/53/66/85/718536685.db2.gz DSLNDMWFLBEMBQ-SFHVURJKSA-N 2 1 363.571 3.213 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCCCC3)C2)s1 ZINC000649603279 718536689 /nfs/dbraw/zinc/53/66/89/718536689.db2.gz DSLNDMWFLBEMBQ-SFHVURJKSA-N 2 1 363.571 3.213 20 0 FGADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000649641533 718542706 /nfs/dbraw/zinc/54/27/06/718542706.db2.gz TYBINSPRRXJXRC-AWEZNQCLSA-N 2 1 358.873 3.229 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000650417017 718674798 /nfs/dbraw/zinc/67/47/98/718674798.db2.gz KDEAQYFRJZKKIA-UHFFFAOYSA-N 2 1 364.559 3.336 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000650561702 718698735 /nfs/dbraw/zinc/69/87/35/718698735.db2.gz WUYBCRLXENLPMT-UHFFFAOYSA-N 2 1 352.567 3.203 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705861 718716883 /nfs/dbraw/zinc/71/68/83/718716883.db2.gz ZAONWZMPBOSSBY-LXZKKBNFSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705861 718716886 /nfs/dbraw/zinc/71/68/86/718716886.db2.gz ZAONWZMPBOSSBY-LXZKKBNFSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724056 718721329 /nfs/dbraw/zinc/72/13/29/718721329.db2.gz XRODLVOULKHDRA-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP CC[N@@H+](CCCNC(=O)NCCC1CC[NH+](C)CC1)C1CCCCC1 ZINC000650841262 718734147 /nfs/dbraw/zinc/73/41/47/718734147.db2.gz JKNUSRFPTXYMRV-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220060 718784400 /nfs/dbraw/zinc/78/44/00/718784400.db2.gz QXDLJMSQWGPWSE-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220060 718784403 /nfs/dbraw/zinc/78/44/03/718784403.db2.gz QXDLJMSQWGPWSE-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220060 718784405 /nfs/dbraw/zinc/78/44/05/718784405.db2.gz QXDLJMSQWGPWSE-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cc(Br)c1O ZINC000651867029 718880158 /nfs/dbraw/zinc/88/01/58/718880158.db2.gz ZKYHLONKGFRLLH-UHFFFAOYSA-N 2 1 359.308 3.231 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc(Br)c1O ZINC000651867029 718880164 /nfs/dbraw/zinc/88/01/64/718880164.db2.gz ZKYHLONKGFRLLH-UHFFFAOYSA-N 2 1 359.308 3.231 20 0 FGADMP CC[N@H+](CCC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000652237805 718925652 /nfs/dbraw/zinc/92/56/52/718925652.db2.gz FPOKYPIVARAGFH-MRXNPFEDSA-N 2 1 367.559 3.029 20 0 FGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1)C1CCCCC1 ZINC000652237805 718925654 /nfs/dbraw/zinc/92/56/54/718925654.db2.gz FPOKYPIVARAGFH-MRXNPFEDSA-N 2 1 367.559 3.029 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347147 718934762 /nfs/dbraw/zinc/93/47/62/718934762.db2.gz STRSJUAKJAHHOF-ZMSDIMECSA-N 2 1 361.511 3.430 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)[C@H]1CC[NH3+] ZINC000652354267 718935718 /nfs/dbraw/zinc/93/57/18/718935718.db2.gz RJBVKJLBEQMULB-CJNGLKHVSA-N 2 1 368.319 3.227 20 0 FGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363704 718937277 /nfs/dbraw/zinc/93/72/77/718937277.db2.gz LHESWSMMUJYSBH-MUIFIZLQSA-N 2 1 353.532 3.101 20 0 FGADMP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363704 718937280 /nfs/dbraw/zinc/93/72/80/718937280.db2.gz LHESWSMMUJYSBH-MUIFIZLQSA-N 2 1 353.532 3.101 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]3[NH2+]C[C@@H]32)n1 ZINC001164450252 719000396 /nfs/dbraw/zinc/00/03/96/719000396.db2.gz SXDOZYVRVGJKSW-CABCVRRESA-N 2 1 359.543 3.091 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845345 719239694 /nfs/dbraw/zinc/23/96/94/719239694.db2.gz IZOZDRVTFZDFRS-MAUKXSAKSA-N 2 1 351.922 3.133 20 0 FGADMP c1sc(-c2ccccc2)nc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683880 719325538 /nfs/dbraw/zinc/32/55/38/719325538.db2.gz WYVVWLCZARVICO-LJQANCHMSA-N 2 1 357.523 3.196 20 0 FGADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000655721872 719329817 /nfs/dbraw/zinc/32/98/17/719329817.db2.gz SHGDFGNVQPZBDB-ZDUSSCGKSA-N 2 1 365.319 3.373 20 0 FGADMP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655724843 719330120 /nfs/dbraw/zinc/33/01/20/719330120.db2.gz IHZSOQWMJCUXHU-SJLPKXTDSA-N 2 1 364.555 3.266 20 0 FGADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655733976 719331846 /nfs/dbraw/zinc/33/18/46/719331846.db2.gz WHIDSAVVVGNCQS-LPHOPBHVSA-N 2 1 352.906 3.261 20 0 FGADMP COc1cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000655771478 719337341 /nfs/dbraw/zinc/33/73/41/719337341.db2.gz LVSNVKQHWVHQNQ-KRWDZBQOSA-N 2 1 352.906 3.124 20 0 FGADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000655777031 719338174 /nfs/dbraw/zinc/33/81/74/719338174.db2.gz QAYNLZSOLYXDTO-ZDUSSCGKSA-N 2 1 365.319 3.231 20 0 FGADMP Oc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1Br ZINC000656782975 719470266 /nfs/dbraw/zinc/47/02/66/719470266.db2.gz KMZPTQSCEQFAAJ-CQSZACIVSA-N 2 1 353.304 3.366 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322422 719785896 /nfs/dbraw/zinc/78/58/96/719785896.db2.gz GWUPQIRRKCEHTK-FUHWJXTLSA-N 2 1 352.469 3.427 20 0 FGADMP C[N@@H+](CC1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000782184007 724635134 /nfs/dbraw/zinc/63/51/34/724635134.db2.gz PQPDLCWIAXLQGT-JWTNVVGKSA-N 2 1 351.535 3.191 20 0 FGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815407 720125709 /nfs/dbraw/zinc/12/57/09/720125709.db2.gz VJBLTGPAHCKLAL-UTKZUKDTSA-N 2 1 354.498 3.056 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404271 720243251 /nfs/dbraw/zinc/24/32/51/720243251.db2.gz VZSIHZBZVOVMLG-IRXDYDNUSA-N 2 1 366.937 3.115 20 0 FGADMP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151190 720384345 /nfs/dbraw/zinc/38/43/45/720384345.db2.gz FTVXWLLIYVOYTB-KBXCAEBGSA-N 2 1 356.432 3.340 20 0 FGADMP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151190 720384346 /nfs/dbraw/zinc/38/43/46/720384346.db2.gz FTVXWLLIYVOYTB-KBXCAEBGSA-N 2 1 356.432 3.340 20 0 FGADMP CC(C)[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250220 720405281 /nfs/dbraw/zinc/40/52/81/720405281.db2.gz AZCSDZQXIIYZLG-OAHLLOKOSA-N 2 1 371.294 3.320 20 0 FGADMP Brc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252655 720405353 /nfs/dbraw/zinc/40/53/53/720405353.db2.gz QHKSNYUMLKVXDE-HOTGVXAUSA-N 2 1 351.288 3.107 20 0 FGADMP Fc1cc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280227 720409089 /nfs/dbraw/zinc/40/90/89/720409089.db2.gz NCBBHWILSZHUDO-CZUORRHYSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280227 720409091 /nfs/dbraw/zinc/40/90/91/720409091.db2.gz NCBBHWILSZHUDO-CZUORRHYSA-N 2 1 369.278 3.246 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(F)c(Cl)c1 ZINC000662290117 720409987 /nfs/dbraw/zinc/40/99/87/720409987.db2.gz KJDSYIGMCDUJAE-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1c1ccccc1Cl ZINC000662291350 720410471 /nfs/dbraw/zinc/41/04/71/720410471.db2.gz FDUMFPFXEWXXBC-VQIMIIECSA-N 2 1 361.917 3.157 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294655 720410974 /nfs/dbraw/zinc/41/09/74/720410974.db2.gz DJYTYPMIIVOOSN-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296472 720411624 /nfs/dbraw/zinc/41/16/24/720411624.db2.gz KYBZGSMCXYKUOV-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498553 720435315 /nfs/dbraw/zinc/43/53/15/720435315.db2.gz QHFJZIRLNSOASC-GUYCJALGSA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498553 720435316 /nfs/dbraw/zinc/43/53/16/720435316.db2.gz QHFJZIRLNSOASC-GUYCJALGSA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc(Cl)c1Cl ZINC000662523748 720438019 /nfs/dbraw/zinc/43/80/19/720438019.db2.gz SCVSFSAKQSSPPD-AHIWAGSCSA-N 2 1 370.324 3.102 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000662752170 720455825 /nfs/dbraw/zinc/45/58/25/720455825.db2.gz GLBWCJVRTWTVNF-DLBZAZTESA-N 2 1 367.827 3.037 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450623 720516007 /nfs/dbraw/zinc/51/60/07/720516007.db2.gz KGEHIUPHVINNFJ-HZPDHXFCSA-N 2 1 364.559 3.057 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000663452501 720516612 /nfs/dbraw/zinc/51/66/12/720516612.db2.gz ZKICJIRBHGCYOU-JKSUJKDBSA-N 2 1 364.559 3.057 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833592 720530897 /nfs/dbraw/zinc/53/08/97/720530897.db2.gz ANQJXBQBHISILI-IRFCIJBXSA-N 2 1 365.525 3.145 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164833592 720530906 /nfs/dbraw/zinc/53/09/06/720530906.db2.gz ANQJXBQBHISILI-IRFCIJBXSA-N 2 1 365.525 3.145 20 0 FGADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)n1 ZINC000665291947 720751305 /nfs/dbraw/zinc/75/13/05/720751305.db2.gz ORCJYJCBSNDKNC-MRXNPFEDSA-N 2 1 353.253 3.189 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668785432 721356619 /nfs/dbraw/zinc/35/66/19/721356619.db2.gz QBVFVBWCKRKUIG-SFHVURJKSA-N 2 1 362.905 3.273 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CCO1 ZINC000668785432 721356628 /nfs/dbraw/zinc/35/66/28/721356628.db2.gz QBVFVBWCKRKUIG-SFHVURJKSA-N 2 1 362.905 3.273 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1N ZINC001165022134 721822241 /nfs/dbraw/zinc/82/22/41/721822241.db2.gz GKOUHFOQEHMVJC-QRFRQXIXSA-N 2 1 351.498 3.104 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(Br)c1 ZINC000677241230 721875947 /nfs/dbraw/zinc/87/59/47/721875947.db2.gz NUFCYBLATDCCIN-KBMXLJTQSA-N 2 1 353.304 3.433 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842946 721918945 /nfs/dbraw/zinc/91/89/45/721918945.db2.gz OLUSBPSTPITZJG-QGTPRVQTSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842946 721918947 /nfs/dbraw/zinc/91/89/47/721918947.db2.gz OLUSBPSTPITZJG-QGTPRVQTSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000677842946 721918949 /nfs/dbraw/zinc/91/89/49/721918949.db2.gz OLUSBPSTPITZJG-QGTPRVQTSA-N 2 1 367.896 3.072 20 0 FGADMP c1ccc2c(c1)cc(N1CCCC1)[nH+]c2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001165044299 721920024 /nfs/dbraw/zinc/92/00/24/721920024.db2.gz UDFCIQBXLJKZCW-LJQANCHMSA-N 2 1 366.509 3.136 20 0 FGADMP CCOc1cc[nH+]c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164951733 722017162 /nfs/dbraw/zinc/01/71/62/722017162.db2.gz CWFBCRCAWWZXTG-UHFFFAOYSA-N 2 1 352.482 3.368 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000721140148 722419680 /nfs/dbraw/zinc/41/96/80/722419680.db2.gz OOURFCFUTSIVBM-TVFCKZIOSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753329 722500621 /nfs/dbraw/zinc/50/06/21/722500621.db2.gz KNPSNQFALQEVMJ-ZWKOTPCHSA-N 2 1 368.635 3.035 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746667244 722613234 /nfs/dbraw/zinc/61/32/34/722613234.db2.gz FGNVQCBXMAVMSF-YJBOKZPZSA-N 2 1 356.432 3.403 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746667244 722613235 /nfs/dbraw/zinc/61/32/35/722613235.db2.gz FGNVQCBXMAVMSF-YJBOKZPZSA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746667244 722613236 /nfs/dbraw/zinc/61/32/36/722613236.db2.gz FGNVQCBXMAVMSF-YJBOKZPZSA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746667244 722613237 /nfs/dbraw/zinc/61/32/37/722613237.db2.gz FGNVQCBXMAVMSF-YJBOKZPZSA-N 2 1 356.432 3.403 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347364 722725575 /nfs/dbraw/zinc/72/55/75/722725575.db2.gz WLGJOOYLFONFRS-OLMNPRSZSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347364 722725577 /nfs/dbraw/zinc/72/55/77/722725577.db2.gz WLGJOOYLFONFRS-OLMNPRSZSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347364 722725578 /nfs/dbraw/zinc/72/55/78/722725578.db2.gz WLGJOOYLFONFRS-OLMNPRSZSA-N 2 1 358.448 3.271 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832268 723096434 /nfs/dbraw/zinc/09/64/34/723096434.db2.gz WXLIGPPMHBPHRW-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832268 723096437 /nfs/dbraw/zinc/09/64/37/723096437.db2.gz WXLIGPPMHBPHRW-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832268 723096441 /nfs/dbraw/zinc/09/64/41/723096441.db2.gz WXLIGPPMHBPHRW-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000762917906 723291787 /nfs/dbraw/zinc/29/17/87/723291787.db2.gz OENZNXLVYJQHFX-HNNXBMFYSA-N 2 1 350.507 3.207 20 0 FGADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000762927763 723293088 /nfs/dbraw/zinc/29/30/88/723293088.db2.gz WBBYPKLYKJGOEI-DLBZAZTESA-N 2 1 350.507 3.207 20 0 FGADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CC[C@H]1NC(=O)OC(C)(C)C ZINC000762927763 723293092 /nfs/dbraw/zinc/29/30/92/723293092.db2.gz WBBYPKLYKJGOEI-DLBZAZTESA-N 2 1 350.507 3.207 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024677 723470936 /nfs/dbraw/zinc/47/09/36/723470936.db2.gz GYSGTXAORAWBNR-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024677 723470939 /nfs/dbraw/zinc/47/09/39/723470939.db2.gz GYSGTXAORAWBNR-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024677 723470942 /nfs/dbraw/zinc/47/09/42/723470942.db2.gz GYSGTXAORAWBNR-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)CC2)nc(C)[nH+]1 ZINC000775396015 723988012 /nfs/dbraw/zinc/98/80/12/723988012.db2.gz OTRALUDYNXPHCI-JFIYKMOQSA-N 2 1 364.584 3.031 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510063 724859877 /nfs/dbraw/zinc/85/98/77/724859877.db2.gz JIFAVBLTEUCOLC-MLHJIOFPSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510063 724859883 /nfs/dbraw/zinc/85/98/83/724859883.db2.gz JIFAVBLTEUCOLC-MLHJIOFPSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000784510063 724859887 /nfs/dbraw/zinc/85/98/87/724859887.db2.gz JIFAVBLTEUCOLC-MLHJIOFPSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000809588104 725250405 /nfs/dbraw/zinc/25/04/05/725250405.db2.gz VVFIOWMLZDUWRG-UHFFFAOYSA-N 2 1 350.576 3.293 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[NH+]1C ZINC000813337036 726862462 /nfs/dbraw/zinc/86/24/62/726862462.db2.gz VLUGLWBIPSEEPJ-VSZNYVQBSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[NH+]1C ZINC000813337036 726862458 /nfs/dbraw/zinc/86/24/58/726862458.db2.gz VLUGLWBIPSEEPJ-VSZNYVQBSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@@H+]1C ZINC000813337036 726862468 /nfs/dbraw/zinc/86/24/68/726862468.db2.gz VLUGLWBIPSEEPJ-VSZNYVQBSA-N 2 1 353.551 3.437 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC[N@H+]1C ZINC000813337036 726862474 /nfs/dbraw/zinc/86/24/74/726862474.db2.gz VLUGLWBIPSEEPJ-VSZNYVQBSA-N 2 1 353.551 3.437 20 0 FGADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2ccccc2Br)[nH+]c1 ZINC000819129497 727350495 /nfs/dbraw/zinc/35/04/95/727350495.db2.gz KGQHQORANKMYJW-MRXNPFEDSA-N 2 1 364.287 3.278 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366071 727371263 /nfs/dbraw/zinc/37/12/63/727371263.db2.gz ICHAOCVJNGPZNZ-GUYCJALGSA-N 2 1 373.310 3.117 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823736475 729301845 /nfs/dbraw/zinc/30/18/45/729301845.db2.gz CNYUQLGSXCHQEI-RCCFBDPRSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831267005 729629097 /nfs/dbraw/zinc/62/90/97/729629097.db2.gz GWEHQVUZURVBSI-GOSISDBHSA-N 2 1 352.567 3.192 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831481856 729645359 /nfs/dbraw/zinc/64/53/59/729645359.db2.gz WBMPCLJDMHPQCM-KBXCAEBGSA-N 2 1 355.885 3.107 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513354 729808855 /nfs/dbraw/zinc/80/88/55/729808855.db2.gz KYBYIXLCGXZHLA-ZJPYXAASSA-N 2 1 351.535 3.381 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]([NH3+])CC(F)F)n1 ZINC000843200991 730594002 /nfs/dbraw/zinc/59/40/02/730594002.db2.gz VIIWSMFDNQXDKG-ZDUSSCGKSA-N 2 1 354.401 3.112 20 0 FGADMP C[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CCC([NH3+])CC1 ZINC000843354198 730609996 /nfs/dbraw/zinc/60/99/96/730609996.db2.gz XOVVFWGMXNNSFX-UHYCVJNDSA-N 2 1 357.523 3.155 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000843358996 730610411 /nfs/dbraw/zinc/61/04/11/730610411.db2.gz ATCXXWJNKWPDMD-ZIAGYGMSSA-N 2 1 364.515 3.193 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)n1 ZINC000843358996 730610415 /nfs/dbraw/zinc/61/04/15/730610415.db2.gz ATCXXWJNKWPDMD-ZIAGYGMSSA-N 2 1 364.515 3.193 20 0 FGADMP [NH3+]CCCCCC[NH+]1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 ZINC000846217849 730937352 /nfs/dbraw/zinc/93/73/52/730937352.db2.gz FPUCFNJFKXJMIR-UHFFFAOYSA-N 2 1 358.313 3.270 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108038 731230134 /nfs/dbraw/zinc/23/01/34/731230134.db2.gz VDAMUGVWBCNRDT-XJKSGUPXSA-N 2 1 356.436 3.407 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000852759425 731631115 /nfs/dbraw/zinc/63/11/15/731631115.db2.gz OEGQPWSBQQSLNK-CZUORRHYSA-N 2 1 360.470 3.022 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852890673 731642956 /nfs/dbraw/zinc/64/29/56/731642956.db2.gz UXIGSKQYFIZHLA-PKOBYXMFSA-N 2 1 365.880 3.040 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852890673 731642959 /nfs/dbraw/zinc/64/29/59/731642959.db2.gz UXIGSKQYFIZHLA-PKOBYXMFSA-N 2 1 365.880 3.040 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596161 732040202 /nfs/dbraw/zinc/04/02/02/732040202.db2.gz SFCWZSOCHOMEGQ-BBRMVZONSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596161 732040208 /nfs/dbraw/zinc/04/02/08/732040208.db2.gz SFCWZSOCHOMEGQ-BBRMVZONSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596161 732040212 /nfs/dbraw/zinc/04/02/12/732040212.db2.gz SFCWZSOCHOMEGQ-BBRMVZONSA-N 2 1 358.313 3.180 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CN1C(=O)OC(C)(C)C ZINC000858532289 732224614 /nfs/dbraw/zinc/22/46/14/732224614.db2.gz LZXNBDHODGPBKT-CWQOZTLDSA-N 2 1 351.535 3.237 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CCCS(=O)(=O)c2ccccc2)cc1 ZINC000859213197 732291205 /nfs/dbraw/zinc/29/12/05/732291205.db2.gz SZLRAQVDEGPVSS-UHFFFAOYSA-N 2 1 360.523 3.044 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CCCS(=O)(=O)c2ccccc2)cc1 ZINC000859213197 732291207 /nfs/dbraw/zinc/29/12/07/732291207.db2.gz SZLRAQVDEGPVSS-UHFFFAOYSA-N 2 1 360.523 3.044 20 0 FGADMP CCCCn1nc(C)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1Cl ZINC000863651926 732990585 /nfs/dbraw/zinc/99/05/85/732990585.db2.gz KXBLFFRKCGEYFN-QGZVFWFLSA-N 2 1 368.953 3.236 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000865476141 733209223 /nfs/dbraw/zinc/20/92/23/733209223.db2.gz UPNPBPYRFRFSOU-NIAPBTPMSA-N 2 1 363.571 3.416 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000865476141 733209226 /nfs/dbraw/zinc/20/92/26/733209226.db2.gz UPNPBPYRFRFSOU-NIAPBTPMSA-N 2 1 363.571 3.416 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467809 733354110 /nfs/dbraw/zinc/35/41/10/733354110.db2.gz QVJBHBBNAOUYNV-TZIWHRDSSA-N 3 1 353.595 3.224 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467809 733354115 /nfs/dbraw/zinc/35/41/15/733354115.db2.gz QVJBHBBNAOUYNV-TZIWHRDSSA-N 2 1 353.595 3.224 20 0 FGADMP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158489 735597114 /nfs/dbraw/zinc/59/71/14/735597114.db2.gz VPQMFBMADOQTHZ-BFYDXBDKSA-N 2 1 350.507 3.287 20 0 FGADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158489 735597118 /nfs/dbraw/zinc/59/71/18/735597118.db2.gz VPQMFBMADOQTHZ-BFYDXBDKSA-N 2 1 350.507 3.287 20 0 FGADMP CCOC(=O)c1ncc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156359 735597260 /nfs/dbraw/zinc/59/72/60/735597260.db2.gz ILZFMDARAHGPPG-RHSMWYFYSA-N 2 1 365.543 3.439 20 0 FGADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873200913 735736843 /nfs/dbraw/zinc/73/68/43/735736843.db2.gz NOKDAWBFHWWZKY-AWEZNQCLSA-N 2 1 353.495 3.168 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584489 736688278 /nfs/dbraw/zinc/68/82/78/736688278.db2.gz GFXIWMUYEVIQRJ-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000877584070 736688463 /nfs/dbraw/zinc/68/84/63/736688463.db2.gz BXFZWFBTHRJNFF-CYBMUJFWSA-N 2 1 369.303 3.057 20 0 FGADMP COCC[N@@H+](Cc1nc2ccc(Cl)cc2n1C)CC1CC[NH+](C)CC1 ZINC000877664684 736702062 /nfs/dbraw/zinc/70/20/62/736702062.db2.gz UEFCXLUGMJLZMO-UHFFFAOYSA-N 2 1 364.921 3.017 20 0 FGADMP COCC[N@H+](Cc1nc2ccc(Cl)cc2n1C)CC1CC[NH+](C)CC1 ZINC000877664684 736702067 /nfs/dbraw/zinc/70/20/67/736702067.db2.gz UEFCXLUGMJLZMO-UHFFFAOYSA-N 2 1 364.921 3.017 20 0 FGADMP CCOC(=O)c1csc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC000879703617 737035416 /nfs/dbraw/zinc/03/54/16/737035416.db2.gz QJBQNLHYGVBUHY-UHFFFAOYSA-N 2 1 353.532 3.120 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321977 737155545 /nfs/dbraw/zinc/15/55/45/737155545.db2.gz GDSSSDSVWHSMDL-HOTGVXAUSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321977 737155547 /nfs/dbraw/zinc/15/55/47/737155547.db2.gz GDSSSDSVWHSMDL-HOTGVXAUSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)nc1C ZINC000880321977 737155550 /nfs/dbraw/zinc/15/55/50/737155550.db2.gz GDSSSDSVWHSMDL-HOTGVXAUSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)nc1C ZINC000880321977 737155552 /nfs/dbraw/zinc/15/55/52/737155552.db2.gz GDSSSDSVWHSMDL-HOTGVXAUSA-N 2 1 365.543 3.292 20 0 FGADMP CCC[C@H](C)CCNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000883877415 737610637 /nfs/dbraw/zinc/61/06/37/737610637.db2.gz LWEZDZIGSXFMRL-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[C@H](C)CCNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000883877415 737610638 /nfs/dbraw/zinc/61/06/38/737610638.db2.gz LWEZDZIGSXFMRL-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCC1([NH3+])CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000891596467 739919406 /nfs/dbraw/zinc/91/94/06/739919406.db2.gz CGRKYKXJEGOWFA-DOTOQJQBSA-N 2 1 364.559 3.044 20 0 FGADMP CCC1([NH3+])CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000891596468 739919489 /nfs/dbraw/zinc/91/94/89/739919489.db2.gz CGRKYKXJEGOWFA-NVXWUHKLSA-N 2 1 364.559 3.044 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050851 742232005 /nfs/dbraw/zinc/23/20/05/742232005.db2.gz VAMTVIBATGAGTH-KFWWJZLASA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050851 742232008 /nfs/dbraw/zinc/23/20/08/742232008.db2.gz VAMTVIBATGAGTH-KFWWJZLASA-N 2 1 363.493 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000894050851 742232010 /nfs/dbraw/zinc/23/20/10/742232010.db2.gz VAMTVIBATGAGTH-KFWWJZLASA-N 2 1 363.493 3.197 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](CC1CC[NH+](C)CC1)C(C)C ZINC000894912916 742352429 /nfs/dbraw/zinc/35/24/29/742352429.db2.gz JWXSILWGIPMDTI-GOSISDBHSA-N 2 1 366.571 3.200 20 0 FGADMP Cn1c(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cnc1Cl ZINC000898519319 742804444 /nfs/dbraw/zinc/80/44/44/742804444.db2.gz ORQFZNSFYFWLFD-SQNIBIBYSA-N 2 1 358.917 3.464 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900435706 743112529 /nfs/dbraw/zinc/11/25/29/743112529.db2.gz CTIGOYITTXOXNL-HKUYNNGSSA-N 2 1 359.539 3.191 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900435706 743112535 /nfs/dbraw/zinc/11/25/35/743112535.db2.gz CTIGOYITTXOXNL-HKUYNNGSSA-N 2 1 359.539 3.191 20 0 FGADMP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ncc(Br)cn2)CC1 ZINC000903322800 743837580 /nfs/dbraw/zinc/83/75/80/743837580.db2.gz GJFFBDBQBJEWMR-UHFFFAOYSA-N 2 1 353.308 3.126 20 0 FGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974631 743907104 /nfs/dbraw/zinc/90/71/04/743907104.db2.gz VEQVZFZUJQBFDA-YOEHRIQHSA-N 2 1 356.432 3.385 20 0 FGADMP Cc1ccc(C)c(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000919718970 758466471 /nfs/dbraw/zinc/46/64/71/758466471.db2.gz LUYUFJPEUVVOES-UHFFFAOYSA-N 2 1 355.511 3.259 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921774716 758793377 /nfs/dbraw/zinc/79/33/77/758793377.db2.gz LLUJXXCEKNPYQP-IAGOWNOFSA-N 2 1 350.507 3.255 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391537 758911327 /nfs/dbraw/zinc/91/13/27/758911327.db2.gz WIYVYWQAORYLRH-LMSBXDPUSA-N 2 1 372.340 3.145 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922392353 758912714 /nfs/dbraw/zinc/91/27/14/758912714.db2.gz DCBKLCQZQBCAEQ-OHRYMORCSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@H]1C(C)C ZINC000922393607 758912760 /nfs/dbraw/zinc/91/27/60/758912760.db2.gz MLGTYMRYLFNWBA-YWTNHNAXSA-N 2 1 351.922 3.003 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@H](O)COc1c(Cl)cccc1Cl ZINC000923329726 759101542 /nfs/dbraw/zinc/10/15/42/759101542.db2.gz NUBVSOHOODQWSP-GSPSYOTPSA-N 2 1 359.297 3.077 20 0 FGADMP CCCCCC[C@@H](O)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344751 759103950 /nfs/dbraw/zinc/10/39/50/759103950.db2.gz CYSDEWDJVXDARX-IAGOWNOFSA-N 2 1 351.560 3.419 20 0 FGADMP CCCCCC[C@@H](O)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344751 759103953 /nfs/dbraw/zinc/10/39/53/759103953.db2.gz CYSDEWDJVXDARX-IAGOWNOFSA-N 2 1 351.560 3.419 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c1 ZINC000923499503 759132438 /nfs/dbraw/zinc/13/24/38/759132438.db2.gz RQXMHXHEACRJGW-CZUORRHYSA-N 2 1 359.495 3.013 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000925012941 759431575 /nfs/dbraw/zinc/43/15/75/759431575.db2.gz XZHOPQKFRUWQBH-INIZCTEOSA-N 2 1 351.535 3.098 20 0 FGADMP C[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925628675 759514852 /nfs/dbraw/zinc/51/48/52/759514852.db2.gz GUDOMRKDMVYNSB-FHLIZLRMSA-N 2 1 351.897 3.346 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)c(F)c1 ZINC000925784297 759537462 /nfs/dbraw/zinc/53/74/62/759537462.db2.gz QKHRMZMETGQFCY-KOLCDFICSA-N 2 1 351.210 3.484 20 0 FGADMP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925807426 759546842 /nfs/dbraw/zinc/54/68/42/759546842.db2.gz ASDSWJKWASVJFU-VNQPRFMTSA-N 2 1 373.722 3.349 20 0 FGADMP Cc1cc(Cl)ccc1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000925895621 759570331 /nfs/dbraw/zinc/57/03/31/759570331.db2.gz NCFZBKDNNJECET-CALCHBBNSA-N 2 1 362.905 3.081 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932696858 761221314 /nfs/dbraw/zinc/22/13/14/761221314.db2.gz LQXSNBBKGIZFAS-KRWDZBQOSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932696858 761221319 /nfs/dbraw/zinc/22/13/19/761221319.db2.gz LQXSNBBKGIZFAS-KRWDZBQOSA-N 2 1 350.507 3.208 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000960008438 762730668 /nfs/dbraw/zinc/73/06/68/762730668.db2.gz QVHAAPZHOQFSBG-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@H+]1C ZINC000968728301 762841575 /nfs/dbraw/zinc/84/15/75/762841575.db2.gz HBNALJJGQVDLKW-DAXOMENPSA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000971566223 762913951 /nfs/dbraw/zinc/91/39/51/762913951.db2.gz BXTAEDNSJOAOOU-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC000971566223 762913956 /nfs/dbraw/zinc/91/39/56/762913956.db2.gz BXTAEDNSJOAOOU-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC000971566223 762913961 /nfs/dbraw/zinc/91/39/61/762913961.db2.gz BXTAEDNSJOAOOU-CWRNSKLLSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3sccc3Cl)CC2(C)C)CC[N@@H+]1C ZINC000974604713 763035306 /nfs/dbraw/zinc/03/53/06/763035306.db2.gz JUAQYANXYKYNBZ-IOASZLSFSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3sccc3Cl)CC2(C)C)CC[N@H+]1C ZINC000974604713 763035314 /nfs/dbraw/zinc/03/53/14/763035314.db2.gz JUAQYANXYKYNBZ-IOASZLSFSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3sccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974604713 763035321 /nfs/dbraw/zinc/03/53/21/763035321.db2.gz JUAQYANXYKYNBZ-IOASZLSFSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3sccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974604713 763035326 /nfs/dbraw/zinc/03/53/26/763035326.db2.gz JUAQYANXYKYNBZ-IOASZLSFSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC000985440838 763930182 /nfs/dbraw/zinc/93/01/82/763930182.db2.gz QXXIKLQQVYAFBE-RBUKOAKNSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@H+](C)Cc3csc(C)c3)CC2)CC[NH+]1C ZINC000985440838 763930191 /nfs/dbraw/zinc/93/01/91/763930191.db2.gz QXXIKLQQVYAFBE-RBUKOAKNSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([N@@H+](C)Cc3csc(C)c3)CC2)CC[NH+]1C ZINC000985440838 763930196 /nfs/dbraw/zinc/93/01/96/763930196.db2.gz QXXIKLQQVYAFBE-RBUKOAKNSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001014509659 765787897 /nfs/dbraw/zinc/78/78/97/765787897.db2.gz SOOFUCYKNRNDNL-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3c(C)cccc3Cl)C2)CC[NH+]1C ZINC001014509659 765787904 /nfs/dbraw/zinc/78/79/04/765787904.db2.gz SOOFUCYKNRNDNL-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3c(C)cccc3Cl)C2)CC[NH+]1C ZINC001014509659 765787906 /nfs/dbraw/zinc/78/79/06/765787906.db2.gz SOOFUCYKNRNDNL-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001020174528 765866809 /nfs/dbraw/zinc/86/68/09/765866809.db2.gz DTWWDKBMTHIKEX-PVYRDQNTSA-N 2 1 363.933 3.368 20 0 FGADMP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001022105053 765974333 /nfs/dbraw/zinc/97/43/33/765974333.db2.gz MSEANGPQYIPUAF-LKAFINOVSA-N 2 1 367.896 3.117 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023991394 766047297 /nfs/dbraw/zinc/04/72/97/766047297.db2.gz VTWVGZIFIIEFQV-HHXXYDBFSA-N 2 1 363.571 3.033 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2sccc2Cl)CC[N@@H+]1C ZINC001024447427 766053367 /nfs/dbraw/zinc/05/33/67/766053367.db2.gz WKACBEJOQAVHEB-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2sccc2Cl)CC[N@H+]1C ZINC001024447427 766053375 /nfs/dbraw/zinc/05/33/75/766053375.db2.gz WKACBEJOQAVHEB-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001024447427 766053384 /nfs/dbraw/zinc/05/33/84/766053384.db2.gz WKACBEJOQAVHEB-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001024447427 766053391 /nfs/dbraw/zinc/05/33/91/766053391.db2.gz WKACBEJOQAVHEB-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC001033835284 766223387 /nfs/dbraw/zinc/22/33/87/766223387.db2.gz WXFGYEHBAYECCJ-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001033835284 766223392 /nfs/dbraw/zinc/22/33/92/766223392.db2.gz WXFGYEHBAYECCJ-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2Cl)C1 ZINC001033835284 766223396 /nfs/dbraw/zinc/22/33/96/766223396.db2.gz WXFGYEHBAYECCJ-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001045044564 766505492 /nfs/dbraw/zinc/50/54/92/766505492.db2.gz NNLSSENXQIYHFK-CWRNSKLLSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccsc3)CC2)CC[N@H+]1C ZINC001050330134 766835443 /nfs/dbraw/zinc/83/54/43/766835443.db2.gz ZHQKOSWLWQFRPQ-DSLXNQLJSA-N 2 1 363.571 3.243 20 0 FGADMP Cc1cc(NC(=O)NCC2=CC[N@@H+](C)CC2)cnc1N1CCCC[C@@H]1C ZINC000540949431 503950477 /nfs/dbraw/zinc/95/04/77/503950477.db2.gz DNGKANPZQGQXGB-INIZCTEOSA-N 2 1 357.502 3.152 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597387 505574686 /nfs/dbraw/zinc/57/46/86/505574686.db2.gz VUJHBQYKUWIXOJ-LPHOPBHVSA-N 2 1 351.485 3.216 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597387 505574691 /nfs/dbraw/zinc/57/46/91/505574691.db2.gz VUJHBQYKUWIXOJ-LPHOPBHVSA-N 2 1 351.485 3.216 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000576715185 505577251 /nfs/dbraw/zinc/57/72/51/505577251.db2.gz JVTUBMQHJSPLFY-UHFFFAOYSA-N 2 1 352.276 3.126 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000576715185 505577254 /nfs/dbraw/zinc/57/72/54/505577254.db2.gz JVTUBMQHJSPLFY-UHFFFAOYSA-N 2 1 352.276 3.126 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000573637236 505584067 /nfs/dbraw/zinc/58/40/67/505584067.db2.gz JWASGZKISBIVAN-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000573647692 505585957 /nfs/dbraw/zinc/58/59/57/505585957.db2.gz RDIKGIBOFOLBGA-FYXHJSOBSA-N 2 1 368.468 3.374 20 0 FGADMP O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576755535 505587175 /nfs/dbraw/zinc/58/71/75/505587175.db2.gz OPZIBIUZRFELBQ-LVCYWYKZSA-N 2 1 367.468 3.437 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000567980513 505588991 /nfs/dbraw/zinc/58/89/91/505588991.db2.gz CKUVCUHCFHQCCN-RXVVDRJESA-N 2 1 357.542 3.498 20 0 FGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1OC ZINC000567990678 505591406 /nfs/dbraw/zinc/59/14/06/505591406.db2.gz VZNWKOIBRKLZEZ-RRQGHBQHSA-N 2 1 373.522 3.387 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c1OC ZINC000567990678 505591408 /nfs/dbraw/zinc/59/14/08/505591408.db2.gz VZNWKOIBRKLZEZ-RRQGHBQHSA-N 2 1 373.522 3.387 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857073 505596704 /nfs/dbraw/zinc/59/67/04/505596704.db2.gz MQHBJCMEIOINJB-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857073 505596709 /nfs/dbraw/zinc/59/67/09/505596709.db2.gz MQHBJCMEIOINJB-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(I)c1 ZINC000570857073 505596714 /nfs/dbraw/zinc/59/67/14/505596714.db2.gz MQHBJCMEIOINJB-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(I)c1 ZINC000570857073 505596717 /nfs/dbraw/zinc/59/67/17/505596717.db2.gz MQHBJCMEIOINJB-DOMZBBRYSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[S@](C)=O ZINC000568076886 505610130 /nfs/dbraw/zinc/61/01/30/505610130.db2.gz DGXGQLRDOBUUNE-QVNZYJNBSA-N 2 1 362.583 3.424 20 0 FGADMP C[C@@H]([NH2+]CCNC(=O)CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882965 505615744 /nfs/dbraw/zinc/61/57/44/505615744.db2.gz OSQUGVOWUYMOMD-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570964359 505621644 /nfs/dbraw/zinc/62/16/44/505621644.db2.gz PXHCGIRJKRVSFQ-GIWBLDEGSA-N 2 1 369.553 3.356 20 0 FGADMP Cc1cccc2nc(CNC(=O)[C@@H](c3ccc(Cl)cc3)[NH+](C)C)cn21 ZINC000579855963 505633342 /nfs/dbraw/zinc/63/33/42/505633342.db2.gz INUBEKVUDRSNAS-GOSISDBHSA-N 2 1 356.857 3.215 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC(C)(C)C2)CC1 ZINC000579877473 505637068 /nfs/dbraw/zinc/63/70/68/505637068.db2.gz LYFZSMSLCIZFDH-SFHVURJKSA-N 2 1 371.569 3.444 20 0 FGADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000573902648 505647670 /nfs/dbraw/zinc/64/76/70/505647670.db2.gz KJVFPBVMQZDQBC-LJHODMEESA-N 2 1 355.448 3.313 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000571083132 505649730 /nfs/dbraw/zinc/64/97/30/505649730.db2.gz DGZDZVDQXZCDRV-IBGZPJMESA-N 2 1 355.526 3.080 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000571083132 505649734 /nfs/dbraw/zinc/64/97/34/505649734.db2.gz DGZDZVDQXZCDRV-IBGZPJMESA-N 2 1 355.526 3.080 20 0 FGADMP CCC[C@@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047972660 493768542 /nfs/dbraw/zinc/76/85/42/493768542.db2.gz PDTOWUFWGKRNTL-OAQYLSRUSA-N 2 1 357.542 3.452 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000080746917 493771718 /nfs/dbraw/zinc/77/17/18/493771718.db2.gz YTYCNLNNYIRFRD-UHFFFAOYSA-N 2 1 361.530 3.065 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068200174 493776961 /nfs/dbraw/zinc/77/69/61/493776961.db2.gz LJHLLUSIWITZMV-SFHVURJKSA-N 2 1 361.505 3.027 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1)C(C)C ZINC000577182872 505681293 /nfs/dbraw/zinc/68/12/93/505681293.db2.gz RTMADKLXWCFOPI-FCHUYYIVSA-N 2 1 365.521 3.402 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)on1 ZINC000057844106 493807641 /nfs/dbraw/zinc/80/76/41/493807641.db2.gz QNGGHJUAHBJIAN-KRWDZBQOSA-N 2 1 370.497 3.154 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)on1 ZINC000057844106 493807646 /nfs/dbraw/zinc/80/76/46/493807646.db2.gz QNGGHJUAHBJIAN-KRWDZBQOSA-N 2 1 370.497 3.154 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000568388227 505682563 /nfs/dbraw/zinc/68/25/63/505682563.db2.gz KZPOWTMSLDIGHF-SFHVURJKSA-N 2 1 370.541 3.095 20 0 FGADMP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000081248599 493851863 /nfs/dbraw/zinc/85/18/63/493851863.db2.gz AIXBBAOUMJSIIU-NRFANRHFSA-N 2 1 357.542 3.060 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)c3cncnc3C)CC2)cc1 ZINC000568413732 505688745 /nfs/dbraw/zinc/68/87/45/505688745.db2.gz OZIOEZUSEUCMDN-MRXNPFEDSA-N 2 1 367.497 3.059 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062370392 494011295 /nfs/dbraw/zinc/01/12/95/494011295.db2.gz GOUVNOBMBBGQPO-NHCUHLMSSA-N 2 1 353.510 3.271 20 0 FGADMP C[N@@H+](C[C@@H](O)CNCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000571277045 505696399 /nfs/dbraw/zinc/69/63/99/505696399.db2.gz HWOLGWNFXACLMW-AWEZNQCLSA-N 2 1 357.479 3.101 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2c2ccc(OC)cc2)CC1 ZINC000052711793 494055909 /nfs/dbraw/zinc/05/59/09/494055909.db2.gz ODGIAODOEVMBLV-NRFANRHFSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085359494 494116669 /nfs/dbraw/zinc/11/66/69/494116669.db2.gz VYCXJOFDQDKYGN-KSZLIROESA-N 2 1 354.583 3.020 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000064508585 494129700 /nfs/dbraw/zinc/12/97/00/494129700.db2.gz LVHSSPAUZKVJSJ-IBGZPJMESA-N 2 1 361.917 3.220 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]1c1ccc(Cl)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000064508585 494129705 /nfs/dbraw/zinc/12/97/05/494129705.db2.gz LVHSSPAUZKVJSJ-IBGZPJMESA-N 2 1 361.917 3.220 20 0 FGADMP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086284012 494147948 /nfs/dbraw/zinc/14/79/48/494147948.db2.gz CTRVAXJBDUTKTQ-FUHWJXTLSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086284012 494147950 /nfs/dbraw/zinc/14/79/50/494147950.db2.gz CTRVAXJBDUTKTQ-FUHWJXTLSA-N 2 1 369.513 3.273 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000065549814 494212290 /nfs/dbraw/zinc/21/22/90/494212290.db2.gz HRGMEZSYPKEJBL-QGZVFWFLSA-N 2 1 352.567 3.109 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000574183626 505714462 /nfs/dbraw/zinc/71/44/62/505714462.db2.gz ORRRKRFLLGISBU-IBGZPJMESA-N 2 1 372.557 3.341 20 0 FGADMP O=C(CC1CCCCC1)NCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000089666706 494341376 /nfs/dbraw/zinc/34/13/76/494341376.db2.gz BTBPFFCMVSQTPV-UHFFFAOYSA-N 2 1 371.569 3.370 20 0 FGADMP C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073477661 494375587 /nfs/dbraw/zinc/37/55/87/494375587.db2.gz VJFWZSYQUFVPPH-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073477661 494375588 /nfs/dbraw/zinc/37/55/88/494375588.db2.gz VJFWZSYQUFVPPH-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000079097275 494403945 /nfs/dbraw/zinc/40/39/45/494403945.db2.gz PPQVUWJWKAMEKY-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000073773593 494426526 /nfs/dbraw/zinc/42/65/26/494426526.db2.gz JZCRVDMBUVNADG-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073822217 494434980 /nfs/dbraw/zinc/43/49/80/494434980.db2.gz AZOCWJCGELSYHQ-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073822217 494434983 /nfs/dbraw/zinc/43/49/83/494434983.db2.gz AZOCWJCGELSYHQ-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000073822217 494434988 /nfs/dbraw/zinc/43/49/88/494434988.db2.gz AZOCWJCGELSYHQ-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000056156162 494463296 /nfs/dbraw/zinc/46/32/96/494463296.db2.gz SEBWQSNUUMNIQD-DOTOQJQBSA-N 2 1 370.497 3.332 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)on1 ZINC000056156162 494463302 /nfs/dbraw/zinc/46/33/02/494463302.db2.gz SEBWQSNUUMNIQD-DOTOQJQBSA-N 2 1 370.497 3.332 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000074168730 494491140 /nfs/dbraw/zinc/49/11/40/494491140.db2.gz NYFWHIXBMGGFJK-MRXNPFEDSA-N 2 1 355.438 3.120 20 0 FGADMP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1nc2c(s1)CCCC2 ZINC000090937003 494504402 /nfs/dbraw/zinc/50/44/02/494504402.db2.gz JLQZVGGQYREHMS-AWEZNQCLSA-N 2 1 360.527 3.208 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000067458267 494545706 /nfs/dbraw/zinc/54/57/06/494545706.db2.gz OYURITIBGUKRTM-INIZCTEOSA-N 2 1 357.498 3.416 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000580304466 505728202 /nfs/dbraw/zinc/72/82/02/505728202.db2.gz HVGYRLQCNAHKMW-GOSISDBHSA-N 2 1 367.449 3.013 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000056796642 494564671 /nfs/dbraw/zinc/56/46/71/494564671.db2.gz ZCHWODXXOOPLAA-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000056796642 494564676 /nfs/dbraw/zinc/56/46/76/494564676.db2.gz ZCHWODXXOOPLAA-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000056796642 494564678 /nfs/dbraw/zinc/56/46/78/494564678.db2.gz ZCHWODXXOOPLAA-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080115008 494603143 /nfs/dbraw/zinc/60/31/43/494603143.db2.gz YTUYTPDWXMVUKJ-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080166439 494622978 /nfs/dbraw/zinc/62/29/78/494622978.db2.gz ONZNUTMCLJUZJK-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3c(Cl)cnn3C)CC2)cs1 ZINC000131460645 494626312 /nfs/dbraw/zinc/62/63/12/494626312.db2.gz YMYJWWOTLVTYFP-UHFFFAOYSA-N 2 1 367.950 3.094 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813814 494629224 /nfs/dbraw/zinc/62/92/24/494629224.db2.gz APTJRHPKVSMNKG-TZIWHRDSSA-N 2 1 372.557 3.115 20 0 FGADMP CN(C(=O)NCCC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074875283 494635560 /nfs/dbraw/zinc/63/55/60/494635560.db2.gz VZGLJTBHHLXYJN-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccncc3)CC2)c1C ZINC000091709458 494655818 /nfs/dbraw/zinc/65/58/18/494655818.db2.gz PFMLDEHLIXKHJJ-UHFFFAOYSA-N 2 1 354.498 3.198 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccncc3)CC2)c1C ZINC000091709458 494655827 /nfs/dbraw/zinc/65/58/27/494655827.db2.gz PFMLDEHLIXKHJJ-UHFFFAOYSA-N 2 1 354.498 3.198 20 0 FGADMP Cc1cc2ncc([C@H](C)[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)c(C)n2n1 ZINC000091726117 494659015 /nfs/dbraw/zinc/65/90/15/494659015.db2.gz BSJRWFHKDZOWRP-INIZCTEOSA-N 2 1 364.497 3.369 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc4c3OCCCO4)CC2)C[C@H](C)O1 ZINC000092587016 494678498 /nfs/dbraw/zinc/67/84/98/494678498.db2.gz LDLMIVQQBQOYSJ-HDICACEKSA-N 2 1 374.525 3.169 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CC3=Cc4ccccc4OC3)CC2)nc(C)[nH+]1 ZINC000092645002 494693256 /nfs/dbraw/zinc/69/32/56/494693256.db2.gz UZYHNPWAVCPBGE-UHFFFAOYSA-N 2 1 364.493 3.470 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CC3=Cc4ccccc4OC3)CC2)nc(C)[nH+]1 ZINC000092645002 494693261 /nfs/dbraw/zinc/69/32/61/494693261.db2.gz UZYHNPWAVCPBGE-UHFFFAOYSA-N 2 1 364.493 3.470 20 0 FGADMP Cc1ccc(C)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000108420614 494703836 /nfs/dbraw/zinc/70/38/36/494703836.db2.gz PDBAHBAOCDWARY-NRFANRHFSA-N 2 1 365.521 3.291 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC=C(C(C)(C)C)CC3)CC2)CC1 ZINC000580344084 505737154 /nfs/dbraw/zinc/73/71/54/505737154.db2.gz HISNQOBZJQWLLZ-UHFFFAOYSA-N 2 1 361.574 3.388 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000108549537 494735899 /nfs/dbraw/zinc/73/58/99/494735899.db2.gz GYAHJQGBONCWFH-OAQYLSRUSA-N 2 1 372.557 3.060 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080599019 494742151 /nfs/dbraw/zinc/74/21/51/494742151.db2.gz YXOVITWNZJKLON-ROUUACIJSA-N 2 1 359.514 3.220 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080611590 494746670 /nfs/dbraw/zinc/74/66/70/494746670.db2.gz GTWBAKDBPFSDLN-MOPGFXCFSA-N 2 1 373.566 3.357 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccc(F)cc3)C(C)(C)C)cn2)CC1 ZINC000092785939 494747342 /nfs/dbraw/zinc/74/73/42/494747342.db2.gz NESAVMMCHSYDAP-UHFFFAOYSA-N 2 1 371.504 3.168 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccc(F)cc3)C(C)(C)C)cn2)CC1 ZINC000092785939 494747350 /nfs/dbraw/zinc/74/73/50/494747350.db2.gz NESAVMMCHSYDAP-UHFFFAOYSA-N 2 1 371.504 3.168 20 0 FGADMP C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)[C@H]1CCC[NH2+]C1 ZINC000568627987 505740252 /nfs/dbraw/zinc/74/02/52/505740252.db2.gz JPDCMIXAIXAFSC-HOTGVXAUSA-N 2 1 364.559 3.483 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cc1ccccc1 ZINC000092821069 494763871 /nfs/dbraw/zinc/76/38/71/494763871.db2.gz UMXMHIATFIYVJB-QFIPXVFZSA-N 2 1 353.510 3.224 20 0 FGADMP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821425 494763974 /nfs/dbraw/zinc/76/39/74/494763974.db2.gz XXMNYDXYYOAGFV-RXVVDRJESA-N 2 1 372.557 3.315 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821090 494764238 /nfs/dbraw/zinc/76/42/38/494764238.db2.gz HOSYXGIKTXENQN-HXUWFJFHSA-N 2 1 372.557 3.411 20 0 FGADMP Cc1cc(C)cc(OCCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000116399717 494774029 /nfs/dbraw/zinc/77/40/29/494774029.db2.gz QPJHGRBKDXMQRP-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cc(C)cc(OCCC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000116399717 494774034 /nfs/dbraw/zinc/77/40/34/494774034.db2.gz QPJHGRBKDXMQRP-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121514272 494788399 /nfs/dbraw/zinc/78/83/99/494788399.db2.gz ZEEXLSNSYLOWDQ-FPPRHVDESA-N 2 1 352.482 3.250 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662215 494813194 /nfs/dbraw/zinc/81/31/94/494813194.db2.gz CHFYNXZIYVXUTQ-AZUAARDMSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662215 494813200 /nfs/dbraw/zinc/81/32/00/494813200.db2.gz CHFYNXZIYVXUTQ-AZUAARDMSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662215 494813204 /nfs/dbraw/zinc/81/32/04/494813204.db2.gz CHFYNXZIYVXUTQ-AZUAARDMSA-N 2 1 373.541 3.201 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000075685586 494815942 /nfs/dbraw/zinc/81/59/42/494815942.db2.gz SDWAFNMSOAKDQS-LJQANCHMSA-N 2 1 357.542 3.231 20 0 FGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1ccncc1 ZINC000092253461 494821631 /nfs/dbraw/zinc/82/16/31/494821631.db2.gz QLZSLCMUQVWVJH-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCc1ccncc1 ZINC000092253461 494821634 /nfs/dbraw/zinc/82/16/34/494821634.db2.gz QLZSLCMUQVWVJH-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCc1ccncc1 ZINC000092253461 494821640 /nfs/dbraw/zinc/82/16/40/494821640.db2.gz QLZSLCMUQVWVJH-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCc1ccncc1 ZINC000092253461 494821642 /nfs/dbraw/zinc/82/16/42/494821642.db2.gz QLZSLCMUQVWVJH-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000580386451 505746809 /nfs/dbraw/zinc/74/68/09/505746809.db2.gz AOLOEFNLZMBHAS-LMNJBCLMSA-N 2 1 368.500 3.300 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ncccc2F)C1 ZINC000580386451 505746813 /nfs/dbraw/zinc/74/68/13/505746813.db2.gz AOLOEFNLZMBHAS-LMNJBCLMSA-N 2 1 368.500 3.300 20 0 FGADMP Cn1cncc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000577536760 505747518 /nfs/dbraw/zinc/74/75/18/505747518.db2.gz OWSANCLFKCCSSI-YOUFYPILSA-N 2 1 354.498 3.065 20 0 FGADMP Cn1cncc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCO1 ZINC000577536760 505747522 /nfs/dbraw/zinc/74/75/22/505747522.db2.gz OWSANCLFKCCSSI-YOUFYPILSA-N 2 1 354.498 3.065 20 0 FGADMP c1ncn(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543005 505748213 /nfs/dbraw/zinc/74/82/13/505748213.db2.gz TYTBAPBLJOCNTD-QHCPKHFHSA-N 2 1 373.504 3.365 20 0 FGADMP c1ncn(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543005 505748216 /nfs/dbraw/zinc/74/82/16/505748216.db2.gz TYTBAPBLJOCNTD-QHCPKHFHSA-N 2 1 373.504 3.365 20 0 FGADMP c1ncn(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](Cc5ccccc5)C4)C3)cc2)n1 ZINC000577543005 505748219 /nfs/dbraw/zinc/74/82/19/505748219.db2.gz TYTBAPBLJOCNTD-QHCPKHFHSA-N 2 1 373.504 3.365 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752991 494917297 /nfs/dbraw/zinc/91/72/97/494917297.db2.gz IDEJGTWMUOZVJD-GOSISDBHSA-N 2 1 358.486 3.121 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752991 494917300 /nfs/dbraw/zinc/91/73/00/494917300.db2.gz IDEJGTWMUOZVJD-GOSISDBHSA-N 2 1 358.486 3.121 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752991 494917303 /nfs/dbraw/zinc/91/73/03/494917303.db2.gz IDEJGTWMUOZVJD-GOSISDBHSA-N 2 1 358.486 3.121 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCc3noc(C)n3)cc2)C1 ZINC000093752991 494917307 /nfs/dbraw/zinc/91/73/07/494917307.db2.gz IDEJGTWMUOZVJD-GOSISDBHSA-N 2 1 358.486 3.121 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132752126 494918948 /nfs/dbraw/zinc/91/89/48/494918948.db2.gz NLGVWEHQFIQTLB-KNQAVFIVSA-N 2 1 359.558 3.382 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000122082392 494920199 /nfs/dbraw/zinc/92/01/99/494920199.db2.gz KCXOKCIBFYSACG-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000127291707 494923335 /nfs/dbraw/zinc/92/33/35/494923335.db2.gz PEIPOFNZBMHUIU-YLJYHZDGSA-N 2 1 372.557 3.212 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000122168476 494934667 /nfs/dbraw/zinc/93/46/67/494934667.db2.gz YEKGLMPPXVWXRD-INIZCTEOSA-N 2 1 366.550 3.499 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000122168476 494934669 /nfs/dbraw/zinc/93/46/69/494934669.db2.gz YEKGLMPPXVWXRD-INIZCTEOSA-N 2 1 366.550 3.499 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccccc3N(C)C)CC2)nc(C)[nH+]1 ZINC000093946656 494938090 /nfs/dbraw/zinc/93/80/90/494938090.db2.gz XGGQIBCYDIMSFW-MRXNPFEDSA-N 2 1 353.514 3.479 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CCC(C(F)F)CC3)CC2)CC1 ZINC000574339152 505750675 /nfs/dbraw/zinc/75/06/75/505750675.db2.gz NBMWVTNWBZMHRW-UHFFFAOYSA-N 2 1 371.516 3.123 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000127460660 494947866 /nfs/dbraw/zinc/94/78/66/494947866.db2.gz DDURJXHYUMWRIL-YLJYHZDGSA-N 2 1 370.541 3.097 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000122335534 494959359 /nfs/dbraw/zinc/95/93/59/494959359.db2.gz MLEPCRYKPGMEEO-TZIWHRDSSA-N 2 1 358.526 3.216 20 0 FGADMP C[N@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCC1 ZINC000133194548 494982961 /nfs/dbraw/zinc/98/29/61/494982961.db2.gz JYRNSRYCRLMSHL-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP C[N@@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCC1 ZINC000133194548 494982964 /nfs/dbraw/zinc/98/29/64/494982964.db2.gz JYRNSRYCRLMSHL-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000122845149 495040200 /nfs/dbraw/zinc/04/02/00/495040200.db2.gz NYOJCTXJDWVUSK-HKUYNNGSSA-N 2 1 373.541 3.187 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000122845149 495040202 /nfs/dbraw/zinc/04/02/02/495040202.db2.gz NYOJCTXJDWVUSK-HKUYNNGSSA-N 2 1 373.541 3.187 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118969723 495061459 /nfs/dbraw/zinc/06/14/59/495061459.db2.gz MEHSQWONJTVOGP-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000118969723 495061466 /nfs/dbraw/zinc/06/14/66/495061466.db2.gz MEHSQWONJTVOGP-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[NH+](Cc1ccccc1C[N@@H+](C)[C@@H](CO)C(C)(C)C)[C@H](CO)C(C)(C)C ZINC000118969723 495061469 /nfs/dbraw/zinc/06/14/69/495061469.db2.gz MEHSQWONJTVOGP-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cc1 ZINC000119103248 495093328 /nfs/dbraw/zinc/09/33/28/495093328.db2.gz XPHIAEUCVGYNRO-KRWDZBQOSA-N 2 1 362.477 3.490 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cccc1F ZINC000134110247 495107207 /nfs/dbraw/zinc/10/72/07/495107207.db2.gz DGJBBXIQRLGRJY-MRXNPFEDSA-N 2 1 350.482 3.014 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119425339 495163981 /nfs/dbraw/zinc/16/39/81/495163981.db2.gz BQCJEXPOERXPOK-KGLIPLIRSA-N 2 1 369.431 3.496 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123659663 495167399 /nfs/dbraw/zinc/16/73/99/495167399.db2.gz OIOVBTKAPXQTHH-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1 ZINC000123659663 495167401 /nfs/dbraw/zinc/16/74/01/495167401.db2.gz OIOVBTKAPXQTHH-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP O=C1[C@H](N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1ccc(Cl)cc1 ZINC000134906020 495219520 /nfs/dbraw/zinc/21/95/20/495219520.db2.gz SURWZHRVAZMTPL-CDHQVMDDSA-N 2 1 373.928 3.394 20 0 FGADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000119710215 495223708 /nfs/dbraw/zinc/22/37/08/495223708.db2.gz KQIWQZAHAZUKJC-UHFFFAOYSA-N 2 1 361.917 3.161 20 0 FGADMP FC(F)(F)c1cccc(OCCC[N@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129406635 495240841 /nfs/dbraw/zinc/24/08/41/495240841.db2.gz CPXDSFSQACXWNZ-INIZCTEOSA-N 2 1 372.431 3.128 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H]1n1ccnc1 ZINC000129475876 495250686 /nfs/dbraw/zinc/25/06/86/495250686.db2.gz SFCNCYKKBPSQIB-UWVAXJGDSA-N 2 1 352.482 3.134 20 0 FGADMP C[C@@H]1CCN(CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@@H]1n1ccnc1 ZINC000129475876 495250690 /nfs/dbraw/zinc/25/06/90/495250690.db2.gz SFCNCYKKBPSQIB-UWVAXJGDSA-N 2 1 352.482 3.134 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000119921760 495269675 /nfs/dbraw/zinc/26/96/75/495269675.db2.gz CTKPFSPKQDMKEW-KURKYZTESA-N 2 1 356.514 3.331 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000568760266 505772136 /nfs/dbraw/zinc/77/21/36/505772136.db2.gz QEMXHTRSMBCABY-YLJYHZDGSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000135915459 495343064 /nfs/dbraw/zinc/34/30/64/495343064.db2.gz NKDSNLHYQSXZLB-HXUWFJFHSA-N 2 1 373.541 3.406 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)CCCn1c2ccccc2[nH]c1=O ZINC000577695981 505777048 /nfs/dbraw/zinc/77/70/48/505777048.db2.gz GZQAXRZKYKARQX-UHFFFAOYSA-N 2 1 355.486 3.303 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCn1c(=O)[nH]c2ccccc21 ZINC000577695981 505777053 /nfs/dbraw/zinc/77/70/53/505777053.db2.gz GZQAXRZKYKARQX-UHFFFAOYSA-N 2 1 355.486 3.303 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCn1c(=O)[nH]c2ccccc21 ZINC000577695981 505777057 /nfs/dbraw/zinc/77/70/57/505777057.db2.gz GZQAXRZKYKARQX-UHFFFAOYSA-N 2 1 355.486 3.303 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000136574504 495387577 /nfs/dbraw/zinc/38/75/77/495387577.db2.gz HAQJISBJNMJODU-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000120691653 495436303 /nfs/dbraw/zinc/43/63/03/495436303.db2.gz VFITWXCWIHQLGN-QLFBSQMISA-N 2 1 358.461 3.197 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000120691653 495436308 /nfs/dbraw/zinc/43/63/08/495436308.db2.gz VFITWXCWIHQLGN-QLFBSQMISA-N 2 1 358.461 3.197 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000138086165 495455445 /nfs/dbraw/zinc/45/54/45/495455445.db2.gz ACUMSUQIZDMNBV-SQNIBIBYSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000138086165 495455447 /nfs/dbraw/zinc/45/54/47/495455447.db2.gz ACUMSUQIZDMNBV-SQNIBIBYSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000125529307 495458701 /nfs/dbraw/zinc/45/87/01/495458701.db2.gz QHWFPTDXXZUERU-TZIWHRDSSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000125529307 495458703 /nfs/dbraw/zinc/45/87/03/495458703.db2.gz QHWFPTDXXZUERU-TZIWHRDSSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000125529307 495458704 /nfs/dbraw/zinc/45/87/04/495458704.db2.gz QHWFPTDXXZUERU-TZIWHRDSSA-N 2 1 369.553 3.374 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccsc2)CC1)Cc1ccccc1 ZINC000130910024 495465210 /nfs/dbraw/zinc/46/52/10/495465210.db2.gz HSAGBWVNGNXYFV-UHFFFAOYSA-N 2 1 371.550 3.208 20 0 FGADMP Cc1ccnc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3F)CC2)c1 ZINC000120905610 495482173 /nfs/dbraw/zinc/48/21/73/495482173.db2.gz BUSRRCNOKJLJGI-UHFFFAOYSA-N 2 1 351.429 3.241 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000139782280 495483564 /nfs/dbraw/zinc/48/35/64/495483564.db2.gz MJBSHQZUABIRON-PZJWPPBQSA-N 2 1 372.557 3.161 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCC(=O)Nc3ccc(C)cn3)C1)CCCC2 ZINC000574509018 505788586 /nfs/dbraw/zinc/78/85/86/505788586.db2.gz WODRSOBQVGIADW-KRWDZBQOSA-N 2 1 367.497 3.049 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCC(=O)Nc3ccc(C)cn3)C1)CCCC2 ZINC000574509018 505788588 /nfs/dbraw/zinc/78/85/88/505788588.db2.gz WODRSOBQVGIADW-KRWDZBQOSA-N 2 1 367.497 3.049 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158648168 495558967 /nfs/dbraw/zinc/55/89/67/495558967.db2.gz YHPDMRRWOTWZOX-ULQDDVLXSA-N 2 1 352.544 3.109 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000173525243 495573883 /nfs/dbraw/zinc/57/38/83/495573883.db2.gz ZXSGEFCFMHSWKM-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(I)cc2)CC[N@H+]1C ZINC000173525243 495573890 /nfs/dbraw/zinc/57/38/90/495573890.db2.gz ZXSGEFCFMHSWKM-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525243 495573893 /nfs/dbraw/zinc/57/38/93/495573893.db2.gz ZXSGEFCFMHSWKM-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525243 495573899 /nfs/dbraw/zinc/57/38/99/495573899.db2.gz ZXSGEFCFMHSWKM-WFASDCNBSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000148016084 495580177 /nfs/dbraw/zinc/58/01/77/495580177.db2.gz DPOFQYFIMCXNRY-MOPGFXCFSA-N 2 1 357.542 3.278 20 0 FGADMP CCOC[C@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](COCC)C3)c2)C1 ZINC000176332414 495605125 /nfs/dbraw/zinc/60/51/25/495605125.db2.gz HCXRXZZUXUSDQW-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602552 505794077 /nfs/dbraw/zinc/79/40/77/505794077.db2.gz JYPNHYJLZHBADH-WTIAFYNJSA-N 2 1 352.522 3.399 20 0 FGADMP CC(C)c1ccc(C2(O)CCC([NH2+]CCC[NH+]3CCC(O)CC3)CC2)cc1 ZINC000179565876 495642365 /nfs/dbraw/zinc/64/23/65/495642365.db2.gz CBXIHDSJCWJNEZ-UHFFFAOYSA-N 2 1 374.569 3.377 20 0 FGADMP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693432 495681963 /nfs/dbraw/zinc/68/19/63/495681963.db2.gz SWNOZMLFPYTIMH-ZWKOTPCHSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693432 495681968 /nfs/dbraw/zinc/68/19/68/495681968.db2.gz SWNOZMLFPYTIMH-ZWKOTPCHSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701978 495687464 /nfs/dbraw/zinc/68/74/64/495687464.db2.gz YUOXFKKSJZKDBP-IAGOWNOFSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701978 495687472 /nfs/dbraw/zinc/68/74/72/495687472.db2.gz YUOXFKKSJZKDBP-IAGOWNOFSA-N 2 1 361.505 3.027 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000159256121 495694904 /nfs/dbraw/zinc/69/49/04/495694904.db2.gz JCWXIBKLOLBOQS-OAHLLOKOSA-N 2 1 351.922 3.151 20 0 FGADMP O[C@H](CO[C@H]1CCCc2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173870534 495727073 /nfs/dbraw/zinc/72/70/73/495727073.db2.gz SZYQTYWJBZBJHU-NWSQWKLXSA-N 2 1 372.553 3.249 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000173948574 495759444 /nfs/dbraw/zinc/75/94/44/495759444.db2.gz RZFHTBFBANHOCY-LJQANCHMSA-N 2 1 373.541 3.207 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000151167532 495760117 /nfs/dbraw/zinc/76/01/17/495760117.db2.gz XEJPTVLDWGEVIM-QIJUGHKUSA-N 2 1 356.558 3.146 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000151167532 495760121 /nfs/dbraw/zinc/76/01/21/495760121.db2.gz XEJPTVLDWGEVIM-QIJUGHKUSA-N 2 1 356.558 3.146 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000151167532 495760126 /nfs/dbraw/zinc/76/01/26/495760126.db2.gz XEJPTVLDWGEVIM-QIJUGHKUSA-N 2 1 356.558 3.146 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000176807344 495793569 /nfs/dbraw/zinc/79/35/69/495793569.db2.gz YYHHTRDSNPKJOL-DUXKGJEZSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000176807344 495793576 /nfs/dbraw/zinc/79/35/76/495793576.db2.gz YYHHTRDSNPKJOL-DUXKGJEZSA-N 2 1 351.494 3.069 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000171343645 495829270 /nfs/dbraw/zinc/82/92/70/495829270.db2.gz DWZUYDSUTWQXFD-UHFFFAOYSA-N 2 1 369.303 3.342 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2cccs2)cc1 ZINC000183136245 495849576 /nfs/dbraw/zinc/84/95/76/495849576.db2.gz DJRSXIMGUPQOLB-HNAYVOBHSA-N 2 1 371.506 3.471 20 0 FGADMP c1[nH]nc2c1C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000183153862 495857685 /nfs/dbraw/zinc/85/76/85/495857685.db2.gz YPCYKCWHVFPUCA-RYTRXMBJSA-N 2 1 350.510 3.157 20 0 FGADMP CO[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000577871635 505809587 /nfs/dbraw/zinc/80/95/87/505809587.db2.gz VCNXEYRIQOUNAW-HOTGVXAUSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000577871635 505809591 /nfs/dbraw/zinc/80/95/91/505809591.db2.gz VCNXEYRIQOUNAW-HOTGVXAUSA-N 2 1 360.420 3.303 20 0 FGADMP CN(C)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000180166494 495888632 /nfs/dbraw/zinc/88/86/32/495888632.db2.gz HREHDADHUFCAEX-SEJPIABJSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000180166494 495888637 /nfs/dbraw/zinc/88/86/37/495888637.db2.gz HREHDADHUFCAEX-SEJPIABJSA-N 2 1 350.510 3.433 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(SC(F)F)cc3)C2)CC1 ZINC000171527686 495914718 /nfs/dbraw/zinc/91/47/18/495914718.db2.gz RAOCFMIUIDXZEN-MRXNPFEDSA-N 2 1 355.498 3.213 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174345209 495920360 /nfs/dbraw/zinc/92/03/60/495920360.db2.gz LLPSLASGOQCJIF-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP CCc1ccc([C@H]2CN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC[NH2+]2)cc1 ZINC000577885369 505812152 /nfs/dbraw/zinc/81/21/52/505812152.db2.gz HYSLSNJICTUCNS-JOCHJYFZSA-N 2 1 365.521 3.140 20 0 FGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000174406257 495944263 /nfs/dbraw/zinc/94/42/63/495944263.db2.gz LVBLBXSCXNBLMU-BEFAXECRSA-N 2 1 364.917 3.472 20 0 FGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000174406257 495944269 /nfs/dbraw/zinc/94/42/69/495944269.db2.gz LVBLBXSCXNBLMU-BEFAXECRSA-N 2 1 364.917 3.472 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000183495945 496009103 /nfs/dbraw/zinc/00/91/03/496009103.db2.gz OKGGXUPBDZMKEO-AEFFLSMTSA-N 2 1 374.554 3.171 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000177302810 496010981 /nfs/dbraw/zinc/01/09/81/496010981.db2.gz GWXIQNDHOBURJD-HNNXBMFYSA-N 2 1 354.336 3.127 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000171766533 496028634 /nfs/dbraw/zinc/02/86/34/496028634.db2.gz IIYVAHPCNIPDFK-GOSISDBHSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000171766533 496028641 /nfs/dbraw/zinc/02/86/41/496028641.db2.gz IIYVAHPCNIPDFK-GOSISDBHSA-N 2 1 369.553 3.204 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000183557337 496030083 /nfs/dbraw/zinc/03/00/83/496030083.db2.gz KKYBNSYEPXNDEJ-UNMCSNQZSA-N 2 1 359.558 3.078 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000183557337 496030086 /nfs/dbraw/zinc/03/00/86/496030086.db2.gz KKYBNSYEPXNDEJ-UNMCSNQZSA-N 2 1 359.558 3.078 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(CC)c(C)s2)[C@@H](C)C1 ZINC000155689630 496037148 /nfs/dbraw/zinc/03/71/48/496037148.db2.gz GYKGOAWKNQBMRX-YJBOKZPZSA-N 2 1 353.576 3.283 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)C ZINC000177394420 496045742 /nfs/dbraw/zinc/04/57/42/496045742.db2.gz LFTUKDFOBHJNBM-QGZVFWFLSA-N 2 1 369.575 3.096 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000174689399 496063186 /nfs/dbraw/zinc/06/31/86/496063186.db2.gz HZDRXJXFATZMRL-IBGZPJMESA-N 2 1 372.557 3.165 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177449207 496065534 /nfs/dbraw/zinc/06/55/34/496065534.db2.gz RKVNLVBQSCIMCH-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn4ccsc4n3)CC2)C[C@@H](C)O1 ZINC000177503908 496089343 /nfs/dbraw/zinc/08/93/43/496089343.db2.gz DMJRYAKVRHMWLX-HZPDHXFCSA-N 2 1 362.543 3.107 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc(OCCC[NH+](C)C)c1 ZINC000174794982 496109446 /nfs/dbraw/zinc/10/94/46/496109446.db2.gz CVOUISBOVPJJSW-UHFFFAOYSA-N 2 1 358.486 3.366 20 0 FGADMP COc1cccc([C@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600824 496128080 /nfs/dbraw/zinc/12/80/80/496128080.db2.gz NXBBCKOVGDMMPZ-RXVVDRJESA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@@H+]1C ZINC000156063523 496148188 /nfs/dbraw/zinc/14/81/88/496148188.db2.gz QGOOKKIAFTXBNH-BBRMVZONSA-N 2 1 356.436 3.142 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@H+]1C ZINC000156063523 496148189 /nfs/dbraw/zinc/14/81/89/496148189.db2.gz QGOOKKIAFTXBNH-BBRMVZONSA-N 2 1 356.436 3.142 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CCCC[C@@H]1C ZINC000156249144 496197353 /nfs/dbraw/zinc/19/73/53/496197353.db2.gz DWTZJFFBMNIXOH-OALUTQOASA-N 2 1 357.542 3.073 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000177845993 496221016 /nfs/dbraw/zinc/22/10/16/496221016.db2.gz KSSDUTPLFXQZKE-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP CC(C)CCn1cccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000180992740 496233685 /nfs/dbraw/zinc/23/36/85/496233685.db2.gz XRGHAJYKOKJEJR-QFIPXVFZSA-N 2 1 355.526 3.391 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(OC)c(C)cc3C)CC2)CC1 ZINC000574704408 505836313 /nfs/dbraw/zinc/83/63/13/505836313.db2.gz VUUJCIJDJRFSMM-UHFFFAOYSA-N 2 1 373.541 3.447 20 0 FGADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000156812473 496339087 /nfs/dbraw/zinc/33/90/87/496339087.db2.gz SJKZGJVHMWVMJP-UHFFFAOYSA-N 2 1 351.922 3.266 20 0 FGADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000156812473 496339090 /nfs/dbraw/zinc/33/90/90/496339090.db2.gz SJKZGJVHMWVMJP-UHFFFAOYSA-N 2 1 351.922 3.266 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000162354794 496342105 /nfs/dbraw/zinc/34/21/05/496342105.db2.gz XHMAFXNMZATALJ-HDYDNRTBSA-N 2 1 364.578 3.061 20 0 FGADMP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000578004918 505839411 /nfs/dbraw/zinc/83/94/11/505839411.db2.gz MTRWXNZPTHYKQL-JTHBVZDNSA-N 2 1 374.488 3.277 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@H](C)C1 ZINC000162727930 496403113 /nfs/dbraw/zinc/40/31/13/496403113.db2.gz FKPNARPFKTVTTO-DYXWJJEUSA-N 2 1 359.558 3.164 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097310 496405002 /nfs/dbraw/zinc/40/50/02/496405002.db2.gz OXZBWTGZCFYCAE-SFTDATJTSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097310 496405008 /nfs/dbraw/zinc/40/50/08/496405008.db2.gz OXZBWTGZCFYCAE-SFTDATJTSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097310 496405013 /nfs/dbraw/zinc/40/50/13/496405013.db2.gz OXZBWTGZCFYCAE-SFTDATJTSA-N 2 1 357.542 3.473 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157172176 496421148 /nfs/dbraw/zinc/42/11/48/496421148.db2.gz OJOFAOJOHYNPRD-FQEVSTJZSA-N 2 1 357.498 3.168 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157172176 496421153 /nfs/dbraw/zinc/42/11/53/496421153.db2.gz OJOFAOJOHYNPRD-FQEVSTJZSA-N 2 1 357.498 3.168 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@](C)(O)C(C)C)CC2)c1C ZINC000187389889 496422144 /nfs/dbraw/zinc/42/21/44/496422144.db2.gz AMBFVUYYACSBNK-NRFANRHFSA-N 2 1 363.546 3.010 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@](C)(O)C(C)C)CC2)c1C ZINC000187389889 496422149 /nfs/dbraw/zinc/42/21/49/496422149.db2.gz AMBFVUYYACSBNK-NRFANRHFSA-N 2 1 363.546 3.010 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162972214 496442956 /nfs/dbraw/zinc/44/29/56/496442956.db2.gz MABLCAGJTBNZRU-HXUWFJFHSA-N 2 1 358.530 3.030 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478227 496458163 /nfs/dbraw/zinc/45/81/63/496458163.db2.gz VJZUVCGRUWAYAB-RTWAWAEBSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478227 496458167 /nfs/dbraw/zinc/45/81/67/496458167.db2.gz VJZUVCGRUWAYAB-RTWAWAEBSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478227 496458173 /nfs/dbraw/zinc/45/81/73/496458173.db2.gz VJZUVCGRUWAYAB-RTWAWAEBSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000187479062 496458611 /nfs/dbraw/zinc/45/86/11/496458611.db2.gz SKEMTKJDIKWQNS-GIVPXCGWSA-N 2 1 374.573 3.267 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000157456603 496481322 /nfs/dbraw/zinc/48/13/22/496481322.db2.gz WOEIXVLNMRREFE-LJQANCHMSA-N 2 1 374.573 3.400 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157753174 496545267 /nfs/dbraw/zinc/54/52/67/496545267.db2.gz FEBMNNPVJWWING-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000181921227 496599944 /nfs/dbraw/zinc/59/99/44/496599944.db2.gz LYALHOLWJVENHF-QGZVFWFLSA-N 2 1 367.493 3.328 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943632 496606836 /nfs/dbraw/zinc/60/68/36/496606836.db2.gz NSRDZHTYZRZUHK-HOTGVXAUSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943632 496606839 /nfs/dbraw/zinc/60/68/39/496606839.db2.gz NSRDZHTYZRZUHK-HOTGVXAUSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943632 496606844 /nfs/dbraw/zinc/60/68/44/496606844.db2.gz NSRDZHTYZRZUHK-HOTGVXAUSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943632 496606846 /nfs/dbraw/zinc/60/68/46/496606846.db2.gz NSRDZHTYZRZUHK-HOTGVXAUSA-N 2 1 374.447 3.109 20 0 FGADMP c1cc([C@H]2CCC[N@@H+]2CCOCC[NH+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000153935788 496629602 /nfs/dbraw/zinc/62/96/02/496629602.db2.gz IWFQBOOOXZWIJE-SZPZYZBQSA-N 2 1 366.509 3.467 20 0 FGADMP c1cc([C@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000153935788 496629607 /nfs/dbraw/zinc/62/96/07/496629607.db2.gz IWFQBOOOXZWIJE-SZPZYZBQSA-N 2 1 366.509 3.467 20 0 FGADMP c1cc([C@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2ccncc2)ccn1 ZINC000153935788 496629612 /nfs/dbraw/zinc/62/96/12/496629612.db2.gz IWFQBOOOXZWIJE-SZPZYZBQSA-N 2 1 366.509 3.467 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H](C(C)(C)C)C3)CC2)CC1 ZINC000569116542 505856911 /nfs/dbraw/zinc/85/69/11/505856911.db2.gz FYBVFCGIRHSOKF-LJQANCHMSA-N 2 1 363.590 3.467 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000165427743 496659460 /nfs/dbraw/zinc/65/94/60/496659460.db2.gz MTTDMRAIXHCCII-RDJZCZTQSA-N 2 1 371.481 3.321 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000165427743 496659467 /nfs/dbraw/zinc/65/94/67/496659467.db2.gz MTTDMRAIXHCCII-RDJZCZTQSA-N 2 1 371.481 3.321 20 0 FGADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1ccccc1F ZINC000154044793 496666493 /nfs/dbraw/zinc/66/64/93/496666493.db2.gz IMDUCPXATGRDLI-HXUWFJFHSA-N 2 1 359.489 3.129 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCN1CCC(O)CC1 ZINC000179104545 496676941 /nfs/dbraw/zinc/67/69/41/496676941.db2.gz AWNXBVRDZQRICG-GOSISDBHSA-N 2 1 352.906 3.299 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000166162654 496678347 /nfs/dbraw/zinc/67/83/47/496678347.db2.gz UVIRMCFNZBFFBO-FOIQADDNSA-N 2 1 351.485 3.249 20 0 FGADMP c1ccc(OCCOc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166224695 496679831 /nfs/dbraw/zinc/67/98/31/496679831.db2.gz BDRYVISCRWVLDC-VQTJNVASSA-N 2 1 367.493 3.256 20 0 FGADMP c1ccc(OCCOc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166224695 496679839 /nfs/dbraw/zinc/67/98/39/496679839.db2.gz BDRYVISCRWVLDC-VQTJNVASSA-N 2 1 367.493 3.256 20 0 FGADMP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689607 /nfs/dbraw/zinc/68/96/07/496689607.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689614 /nfs/dbraw/zinc/68/96/14/496689614.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689618 /nfs/dbraw/zinc/68/96/18/496689618.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689625 /nfs/dbraw/zinc/68/96/25/496689625.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611191 496689631 /nfs/dbraw/zinc/68/96/31/496689631.db2.gz MVBKEULSXUHSTI-GUDVDZBRSA-N 2 1 367.459 3.496 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc(Br)cc3)CC[C@@H]21 ZINC000166751821 496692681 /nfs/dbraw/zinc/69/26/81/496692681.db2.gz COJAKINEJSVCGE-YOEHRIQHSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc(Br)cc3)CC[C@@H]21 ZINC000166751821 496692684 /nfs/dbraw/zinc/69/26/84/496692684.db2.gz COJAKINEJSVCGE-YOEHRIQHSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335249 496739474 /nfs/dbraw/zinc/73/94/74/496739474.db2.gz VTPVDRPPDRLLDY-INIZCTEOSA-N 2 1 368.319 3.194 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2csc(Br)c2)CC1 ZINC000191460738 496769841 /nfs/dbraw/zinc/76/98/41/496769841.db2.gz AGIDAVYMOQCCAE-UHFFFAOYSA-N 2 1 374.392 3.359 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268767938 496778661 /nfs/dbraw/zinc/77/86/61/496778661.db2.gz COFXEWPKBHMVES-DUXKGJEZSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768030 496779679 /nfs/dbraw/zinc/77/96/79/496779679.db2.gz OOGBJMCKHONRST-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768030 496779684 /nfs/dbraw/zinc/77/96/84/496779684.db2.gz OOGBJMCKHONRST-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP CC[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C)CC1CCN(c2ccccn2)CC1 ZINC000247204646 496804060 /nfs/dbraw/zinc/80/40/60/496804060.db2.gz CDUUULSRJOBWGF-QUCCMNQESA-N 2 1 372.557 3.315 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872330 496810833 /nfs/dbraw/zinc/81/08/33/496810833.db2.gz KSNYIKBDHIEFSL-IFMALSPDSA-N 2 1 371.569 3.132 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000268885613 496813678 /nfs/dbraw/zinc/81/36/78/496813678.db2.gz YXWYEFOSHHGBTI-KRWDZBQOSA-N 2 1 371.294 3.012 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c2cccs2)cc1 ZINC000578123135 505867875 /nfs/dbraw/zinc/86/78/75/505867875.db2.gz QRJFCIUVDDKKFI-ICSRJNTNSA-N 2 1 371.550 3.240 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000247315677 496832959 /nfs/dbraw/zinc/83/29/59/496832959.db2.gz VTULSGVSZYKYRM-YSIASYRMSA-N 2 1 372.557 3.242 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947818 505875564 /nfs/dbraw/zinc/87/55/64/505875564.db2.gz PDMXMJWAFAIMAU-NXHRZFHOSA-N 2 1 374.447 3.075 20 0 FGADMP CCOC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000580947818 505875566 /nfs/dbraw/zinc/87/55/66/505875566.db2.gz PDMXMJWAFAIMAU-NXHRZFHOSA-N 2 1 374.447 3.075 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121993 496955998 /nfs/dbraw/zinc/95/59/98/496955998.db2.gz NNEBNEXVCDKQRH-NJYVYQBISA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121993 496956005 /nfs/dbraw/zinc/95/60/05/496956005.db2.gz NNEBNEXVCDKQRH-NJYVYQBISA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121993 496956008 /nfs/dbraw/zinc/95/60/08/496956008.db2.gz NNEBNEXVCDKQRH-NJYVYQBISA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121993 496956015 /nfs/dbraw/zinc/95/60/15/496956015.db2.gz NNEBNEXVCDKQRH-NJYVYQBISA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678365 496988551 /nfs/dbraw/zinc/98/85/51/496988551.db2.gz ZGLMWPORJZTJNM-LAUBAEHRSA-N 2 1 370.541 3.130 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397841 496993638 /nfs/dbraw/zinc/99/36/38/496993638.db2.gz IGLTUUGPVUMWHE-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397841 496993644 /nfs/dbraw/zinc/99/36/44/496993644.db2.gz IGLTUUGPVUMWHE-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397841 496993650 /nfs/dbraw/zinc/99/36/50/496993650.db2.gz IGLTUUGPVUMWHE-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248396770 496994640 /nfs/dbraw/zinc/99/46/40/496994640.db2.gz HHTBEBWYFKHURI-FHWLQOOXSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396770 496994642 /nfs/dbraw/zinc/99/46/42/496994642.db2.gz HHTBEBWYFKHURI-FHWLQOOXSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396770 496994644 /nfs/dbraw/zinc/99/46/44/496994644.db2.gz HHTBEBWYFKHURI-FHWLQOOXSA-N 2 1 361.574 3.410 20 0 FGADMP Fc1ccccc1-n1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000189061426 496994913 /nfs/dbraw/zinc/99/49/13/496994913.db2.gz LMGNTNGCCFCDMT-UHFFFAOYSA-N 2 1 372.488 3.088 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000248460829 497019942 /nfs/dbraw/zinc/01/99/42/497019942.db2.gz OSSYWKASULIJAE-INMHGKMJSA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000248460829 497019948 /nfs/dbraw/zinc/01/99/48/497019948.db2.gz OSSYWKASULIJAE-INMHGKMJSA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000248460829 497019951 /nfs/dbraw/zinc/01/99/51/497019951.db2.gz OSSYWKASULIJAE-INMHGKMJSA-N 2 1 374.447 3.107 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193901 497029125 /nfs/dbraw/zinc/02/91/25/497029125.db2.gz SGOSEKVBRZWKIX-DENIHFKCSA-N 2 1 370.541 3.407 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546737 497035201 /nfs/dbraw/zinc/03/52/01/497035201.db2.gz DYDVITPJFDFXFN-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546737 497035207 /nfs/dbraw/zinc/03/52/07/497035207.db2.gz DYDVITPJFDFXFN-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546737 497035214 /nfs/dbraw/zinc/03/52/14/497035214.db2.gz DYDVITPJFDFXFN-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546737 497035217 /nfs/dbraw/zinc/03/52/17/497035217.db2.gz DYDVITPJFDFXFN-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546737 497035225 /nfs/dbraw/zinc/03/52/25/497035225.db2.gz DYDVITPJFDFXFN-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248573140 497044306 /nfs/dbraw/zinc/04/43/06/497044306.db2.gz MQBRGXXWYSUJOX-XSYGEPLQSA-N 2 1 357.542 3.495 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248573140 497044309 /nfs/dbraw/zinc/04/43/09/497044309.db2.gz MQBRGXXWYSUJOX-XSYGEPLQSA-N 2 1 357.542 3.495 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248585285 497048185 /nfs/dbraw/zinc/04/81/85/497048185.db2.gz PWGWUPIOVBYTFS-JENIJYKNSA-N 2 1 371.525 3.150 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248702020 497082007 /nfs/dbraw/zinc/08/20/07/497082007.db2.gz NCPIWKNZNDPDCS-KXTWHKPSSA-N 2 1 374.573 3.126 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000278388454 497097806 /nfs/dbraw/zinc/09/78/06/497097806.db2.gz CSHKAYLAYWOSNE-RBUKOAKNSA-N 2 1 361.530 3.111 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000278388454 497097810 /nfs/dbraw/zinc/09/78/10/497097810.db2.gz CSHKAYLAYWOSNE-RBUKOAKNSA-N 2 1 361.530 3.111 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248761841 497100395 /nfs/dbraw/zinc/10/03/95/497100395.db2.gz QSOUGYXQNGIWSL-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248761841 497100400 /nfs/dbraw/zinc/10/04/00/497100400.db2.gz QSOUGYXQNGIWSL-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248761841 497100405 /nfs/dbraw/zinc/10/04/05/497100405.db2.gz QSOUGYXQNGIWSL-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](c1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1)N1CCOCC1 ZINC000265411531 497114904 /nfs/dbraw/zinc/11/49/04/497114904.db2.gz UOYWXRSWRJQMTJ-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414765 497122847 /nfs/dbraw/zinc/12/28/47/497122847.db2.gz CVFKPYUJDXQPDA-TZMCWYRMSA-N 2 1 360.329 3.463 20 0 FGADMP COc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCCC2)cc1 ZINC000248876957 497123610 /nfs/dbraw/zinc/12/36/10/497123610.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N2CCCCC2)cc1 ZINC000248876957 497123614 /nfs/dbraw/zinc/12/36/14/497123614.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 2 1 357.542 3.437 20 0 FGADMP COc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N2CCCCC2)cc1 ZINC000248876957 497123617 /nfs/dbraw/zinc/12/36/17/497123617.db2.gz JQUXFWDQWXSOGS-RKKYOWQMSA-N 2 1 357.542 3.437 20 0 FGADMP CCCN(C(=O)c1csc(C[NH3+])n1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236745218 497140663 /nfs/dbraw/zinc/14/06/63/497140663.db2.gz YQNWVJDJYJCOSJ-QGZVFWFLSA-N 2 1 372.538 3.119 20 0 FGADMP CCCN(C(=O)c1csc(C[NH3+])n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236745218 497140665 /nfs/dbraw/zinc/14/06/65/497140665.db2.gz YQNWVJDJYJCOSJ-QGZVFWFLSA-N 2 1 372.538 3.119 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000236803935 497149220 /nfs/dbraw/zinc/14/92/20/497149220.db2.gz ADZOPEXJRWMQOZ-NHCUHLMSSA-N 3 1 358.574 3.181 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192582449 497157289 /nfs/dbraw/zinc/15/72/89/497157289.db2.gz KSKLUITWIFSOGF-GCJKJVERSA-N 2 1 369.553 3.372 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000249169628 497177957 /nfs/dbraw/zinc/17/79/57/497177957.db2.gz APGJQGGMMYPFKC-XMSQKQJNSA-N 2 1 360.542 3.450 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000278655415 497180124 /nfs/dbraw/zinc/18/01/24/497180124.db2.gz MHWPIBJCLIAOKZ-UHFFFAOYSA-N 2 1 369.553 3.231 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000278739378 497204553 /nfs/dbraw/zinc/20/45/53/497204553.db2.gz WKAPCHZNBJFJEF-HSZRJFAPSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH2+]CC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@@H+]1CCc2sccc2C1 ZINC000237237417 497208195 /nfs/dbraw/zinc/20/81/95/497208195.db2.gz PGYWZLZKNKITTK-IBGZPJMESA-N 2 1 371.550 3.307 20 0 FGADMP C[NH2+]CC(=O)NC[C@@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000237237417 497208198 /nfs/dbraw/zinc/20/81/98/497208198.db2.gz PGYWZLZKNKITTK-IBGZPJMESA-N 2 1 371.550 3.307 20 0 FGADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265960285 497218702 /nfs/dbraw/zinc/21/87/02/497218702.db2.gz IVHSPMUMFHMYAP-QWHCGFSZSA-N 2 1 364.490 3.036 20 0 FGADMP C[C@@H](CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237376612 497227420 /nfs/dbraw/zinc/22/74/20/497227420.db2.gz RXZGIRIITWWKLC-OALUTQOASA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000237520866 497249750 /nfs/dbraw/zinc/24/97/50/497249750.db2.gz BBCFNZPSPAAFCZ-KRWDZBQOSA-N 2 1 351.494 3.450 20 0 FGADMP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278878295 497252469 /nfs/dbraw/zinc/25/24/69/497252469.db2.gz MUVBYHJPMRDSEA-FQEVSTJZSA-N 2 1 364.493 3.352 20 0 FGADMP C[C@H](C(=O)NCc1ccc(N2CCCCCC2)nc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249857876 497252965 /nfs/dbraw/zinc/25/29/65/497252965.db2.gz DYFSTKXAOUAOCD-FGTMMUONSA-N 2 1 358.530 3.340 20 0 FGADMP C[C@H](CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237577681 497258054 /nfs/dbraw/zinc/25/80/54/497258054.db2.gz VGVGVDJNQNAQMX-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000574972490 505894731 /nfs/dbraw/zinc/89/47/31/505894731.db2.gz KXMMCBFSMFDCQC-UWHLTILDSA-N 2 1 354.498 3.206 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237588941 497260492 /nfs/dbraw/zinc/26/04/92/497260492.db2.gz XJHOCHLDPSYLMW-WLRLJWMZSA-N 2 1 357.542 3.453 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277935 505895052 /nfs/dbraw/zinc/89/50/52/505895052.db2.gz NUAUMKPVSNJVFG-NJDAHSKKSA-N 2 1 364.505 3.118 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000237671142 497273885 /nfs/dbraw/zinc/27/38/85/497273885.db2.gz PCDUEIIRNYCWFG-QGZVFWFLSA-N 2 1 370.324 3.216 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000278968356 497285521 /nfs/dbraw/zinc/28/55/21/497285521.db2.gz NEXMFLYDUMINPA-IAGOWNOFSA-N 2 1 365.481 3.109 20 0 FGADMP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000578244489 505896866 /nfs/dbraw/zinc/89/68/66/505896866.db2.gz SANCQUQIESUJOQ-UHFFFAOYSA-N 2 1 373.500 3.299 20 0 FGADMP c1cn(-c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cn2)cn1 ZINC000278984101 497292062 /nfs/dbraw/zinc/29/20/62/497292062.db2.gz ZNQKLRBGHZHAKS-UHFFFAOYSA-N 2 1 362.481 3.180 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190068558 497345259 /nfs/dbraw/zinc/34/52/59/497345259.db2.gz JPTCZYSPWOSGHW-ZWKOTPCHSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000190068558 497345262 /nfs/dbraw/zinc/34/52/62/497345262.db2.gz JPTCZYSPWOSGHW-ZWKOTPCHSA-N 2 1 366.937 3.068 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000266596421 497378343 /nfs/dbraw/zinc/37/83/43/497378343.db2.gz OQQJGZFXIVAHTC-WMLDXEAASA-N 2 1 355.320 3.146 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000266596421 497378350 /nfs/dbraw/zinc/37/83/50/497378350.db2.gz OQQJGZFXIVAHTC-WMLDXEAASA-N 2 1 355.320 3.146 20 0 FGADMP Clc1ccc(OCC[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000193459050 497385307 /nfs/dbraw/zinc/38/53/07/497385307.db2.gz MARFJDXFXDVBEL-UHFFFAOYSA-N 2 1 365.949 3.212 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245404882 497389483 /nfs/dbraw/zinc/38/94/83/497389483.db2.gz QWVZSPWGAPWKJM-MOPGFXCFSA-N 2 1 374.573 3.400 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000245439029 497406758 /nfs/dbraw/zinc/40/67/58/497406758.db2.gz SMPNXZSLEAKSQP-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000245439029 497406764 /nfs/dbraw/zinc/40/67/64/497406764.db2.gz SMPNXZSLEAKSQP-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000245439029 497406768 /nfs/dbraw/zinc/40/67/68/497406768.db2.gz SMPNXZSLEAKSQP-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](NC(=O)[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585064 497416001 /nfs/dbraw/zinc/41/60/01/497416001.db2.gz IFYJXGGEBCJGFN-WMQCIHAUSA-N 2 1 357.542 3.311 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261626339 497422664 /nfs/dbraw/zinc/42/26/64/497422664.db2.gz GSPIFMSELBLGGN-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261626339 497422667 /nfs/dbraw/zinc/42/26/67/497422667.db2.gz GSPIFMSELBLGGN-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP c1ccc(N2CCN(C[C@H]3CCC[N@@H+](C[C@@H]4CC=CCC4)C3)CC2)nc1 ZINC000245553163 497452408 /nfs/dbraw/zinc/45/24/08/497452408.db2.gz DYVMCUJLQMOJLR-NHCUHLMSSA-N 2 1 354.542 3.272 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245559823 497456861 /nfs/dbraw/zinc/45/68/61/497456861.db2.gz BQRJRVKVFNRXEG-IAGOWNOFSA-N 2 1 354.498 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245559823 497456865 /nfs/dbraw/zinc/45/68/65/497456865.db2.gz BQRJRVKVFNRXEG-IAGOWNOFSA-N 2 1 354.498 3.270 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271842350 497467332 /nfs/dbraw/zinc/46/73/32/497467332.db2.gz GXWFFPHPXUEADM-ZDUSSCGKSA-N 2 1 366.303 3.018 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000261892568 497469750 /nfs/dbraw/zinc/46/97/50/497469750.db2.gz UFDMOXIWRBCOII-HXUWFJFHSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@@H]1CC[N@H+]([C@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1n1ccnc1 ZINC000245611904 497474058 /nfs/dbraw/zinc/47/40/58/497474058.db2.gz OGMUMTHAQJGQSD-AYOQOUSVSA-N 2 1 356.445 3.101 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@H]21 ZINC000261928601 497477139 /nfs/dbraw/zinc/47/71/39/497477139.db2.gz SLJXGHOEALIYDJ-YWPYICTPSA-N 2 1 356.297 3.381 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000261928589 497477330 /nfs/dbraw/zinc/47/73/30/497477330.db2.gz SLJXGHOEALIYDJ-SLEUVZQESA-N 2 1 356.297 3.381 20 0 FGADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245664423 497492561 /nfs/dbraw/zinc/49/25/61/497492561.db2.gz GJZRIGNUQADAGK-MZADTFQBSA-N 2 1 357.542 3.420 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000262108127 497509995 /nfs/dbraw/zinc/50/99/95/497509995.db2.gz ZTHSSKAZFAXIKO-IBGZPJMESA-N 2 1 357.885 3.188 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262133717 497513631 /nfs/dbraw/zinc/51/36/31/497513631.db2.gz NIFPJJNSWDWYIC-RXVVDRJESA-N 2 1 371.550 3.481 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262133717 497513636 /nfs/dbraw/zinc/51/36/36/497513636.db2.gz NIFPJJNSWDWYIC-RXVVDRJESA-N 2 1 371.550 3.481 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000245742147 497523959 /nfs/dbraw/zinc/52/39/59/497523959.db2.gz RTEBYFURQRTKST-MZADTFQBSA-N 2 1 364.493 3.462 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193932371 497524473 /nfs/dbraw/zinc/52/44/73/497524473.db2.gz QSOUGYXQNGIWSL-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193932371 497524478 /nfs/dbraw/zinc/52/44/78/497524478.db2.gz QSOUGYXQNGIWSL-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193932371 497524486 /nfs/dbraw/zinc/52/44/86/497524486.db2.gz QSOUGYXQNGIWSL-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCOCC1 ZINC000245759890 497530628 /nfs/dbraw/zinc/53/06/28/497530628.db2.gz VKQQDVNHMYMNAX-BJESRGMDSA-N 2 1 371.569 3.128 20 0 FGADMP C[N@H+]1CCC[C@H](CNC2=[NH+]CCCN2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277933 497533013 /nfs/dbraw/zinc/53/30/13/497533013.db2.gz KDRXWUVVQJBRPN-GDBMZVCRSA-N 2 1 354.420 3.027 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000193958307 497533397 /nfs/dbraw/zinc/53/33/97/497533397.db2.gz XMQFXLVLQYMZJE-MPMRWZLSSA-N 2 1 370.537 3.343 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272137034 497545313 /nfs/dbraw/zinc/54/53/13/497545313.db2.gz ARHWQELWLHQUOI-DYESRHJHSA-N 2 1 351.494 3.046 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000245873701 497556436 /nfs/dbraw/zinc/55/64/36/497556436.db2.gz AGSGFORHWGVTLT-ROUUACIJSA-N 2 1 357.523 3.304 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000245890113 497561784 /nfs/dbraw/zinc/56/17/84/497561784.db2.gz CDNFVMJDRLCSLS-HSZRJFAPSA-N 2 1 367.537 3.402 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656042 497593306 /nfs/dbraw/zinc/59/33/06/497593306.db2.gz MIMUULQJDLLERD-WIYYLYMNSA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000262656042 497593311 /nfs/dbraw/zinc/59/33/11/497593311.db2.gz MIMUULQJDLLERD-WIYYLYMNSA-N 2 1 351.494 3.118 20 0 FGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000245999994 497593543 /nfs/dbraw/zinc/59/35/43/497593543.db2.gz RSOGVLSSHVJFAA-IAGOWNOFSA-N 2 1 362.514 3.117 20 0 FGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000245999994 497593546 /nfs/dbraw/zinc/59/35/46/497593546.db2.gz RSOGVLSSHVJFAA-IAGOWNOFSA-N 2 1 362.514 3.117 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000569363216 505917011 /nfs/dbraw/zinc/91/70/11/505917011.db2.gz GXGWQGYBPZWHQP-CTNGQTDRSA-N 2 1 366.509 3.474 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000569363216 505917013 /nfs/dbraw/zinc/91/70/13/505917013.db2.gz GXGWQGYBPZWHQP-CTNGQTDRSA-N 2 1 366.509 3.474 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334211 505917419 /nfs/dbraw/zinc/91/74/19/505917419.db2.gz CZKOWRIZTIJJFT-JQVVWYNYSA-N 2 1 357.542 3.134 20 0 FGADMP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000190868872 497627520 /nfs/dbraw/zinc/62/75/20/497627520.db2.gz KEFXCTIVBISGGW-GOSISDBHSA-N 2 1 368.525 3.048 20 0 FGADMP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000190868872 497627526 /nfs/dbraw/zinc/62/75/26/497627526.db2.gz KEFXCTIVBISGGW-GOSISDBHSA-N 2 1 368.525 3.048 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246204787 497659361 /nfs/dbraw/zinc/65/93/61/497659361.db2.gz OFYZGTNWVXCBMV-HOCLYGCPSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246204787 497659367 /nfs/dbraw/zinc/65/93/67/497659367.db2.gz OFYZGTNWVXCBMV-HOCLYGCPSA-N 2 1 373.324 3.151 20 0 FGADMP O=C(Nc1ccccc1)C1([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000572234150 505921455 /nfs/dbraw/zinc/92/14/55/505921455.db2.gz AYBALUHFDFMMPW-WIYYLYMNSA-N 2 1 363.461 3.003 20 0 FGADMP CN(CCC[N@@H+](C)Cc1cnc(-c2ccsc2)s1)CC[NH+](C)C ZINC000581158725 505922835 /nfs/dbraw/zinc/92/28/35/505922835.db2.gz CSSFIUVDRRRXFL-UHFFFAOYSA-N 2 1 352.573 3.187 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272730711 497714286 /nfs/dbraw/zinc/71/42/86/497714286.db2.gz ILBQXRNQKYHDJP-DENIHFKCSA-N 2 1 366.505 3.429 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246546018 497769784 /nfs/dbraw/zinc/76/97/84/497769784.db2.gz WWPAWKMESDBCEW-YADHBBJMSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246546018 497769785 /nfs/dbraw/zinc/76/97/85/497769785.db2.gz WWPAWKMESDBCEW-YADHBBJMSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246546018 497769786 /nfs/dbraw/zinc/76/97/86/497769786.db2.gz WWPAWKMESDBCEW-YADHBBJMSA-N 2 1 371.569 3.383 20 0 FGADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC[NH+](C)CC1 ZINC000194802306 497776601 /nfs/dbraw/zinc/77/66/01/497776601.db2.gz DMVCKOGJLAAGQA-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)[C@H](C)C2)CC1 ZINC000246610934 497788697 /nfs/dbraw/zinc/78/86/97/497788697.db2.gz GRKFBJQSNYRZPH-WIYYLYMNSA-N 2 1 357.542 3.101 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246724080 497804387 /nfs/dbraw/zinc/80/43/87/497804387.db2.gz VJUGHGSZYDOKFO-DLBZAZTESA-N 2 1 366.575 3.018 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246867142 497817556 /nfs/dbraw/zinc/81/75/56/497817556.db2.gz KWYANZUMSFDNCL-XHSDSOJGSA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000246888251 497818728 /nfs/dbraw/zinc/81/87/28/497818728.db2.gz QUXIOYOCXJCRMT-QMMLZNLJSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000246888251 497818729 /nfs/dbraw/zinc/81/87/29/497818729.db2.gz QUXIOYOCXJCRMT-QMMLZNLJSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000246888251 497818730 /nfs/dbraw/zinc/81/87/30/497818730.db2.gz QUXIOYOCXJCRMT-QMMLZNLJSA-N 2 1 357.542 3.232 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000246924691 497820530 /nfs/dbraw/zinc/82/05/30/497820530.db2.gz GUCHSJKRJXRDIY-PBHICJAKSA-N 2 1 358.511 3.405 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000246924691 497820531 /nfs/dbraw/zinc/82/05/31/497820531.db2.gz GUCHSJKRJXRDIY-PBHICJAKSA-N 2 1 358.511 3.405 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccccc1OC(F)F ZINC000288566366 497833162 /nfs/dbraw/zinc/83/31/62/497833162.db2.gz MQSLJTYZFCCZCC-UHFFFAOYSA-N 2 1 365.424 3.303 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000299532285 497837877 /nfs/dbraw/zinc/83/78/77/497837877.db2.gz DTNOOLNUUGCZBR-UHFFFAOYSA-N 2 1 359.861 3.460 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc(-c2cccc(Cl)c2)no1 ZINC000299532285 497837889 /nfs/dbraw/zinc/83/78/89/497837889.db2.gz DTNOOLNUUGCZBR-UHFFFAOYSA-N 2 1 359.861 3.460 20 0 FGADMP CCCCCCNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364204797 497840328 /nfs/dbraw/zinc/84/03/28/497840328.db2.gz DPSCJSVVTVQSSI-UHFFFAOYSA-N 2 1 366.594 3.404 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364212733 497842725 /nfs/dbraw/zinc/84/27/25/497842725.db2.gz KPKBATVZCMOOAQ-IBGZPJMESA-N 2 1 357.542 3.137 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C12CCOCC2 ZINC000364234203 497851964 /nfs/dbraw/zinc/85/19/64/497851964.db2.gz BNYCVMHRYMSLMV-MHTWAQMVSA-N 2 1 358.526 3.243 20 0 FGADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000578443699 505941431 /nfs/dbraw/zinc/94/14/31/505941431.db2.gz UCFXJQFNWIQWCM-KRWDZBQOSA-N 2 1 370.324 3.216 20 0 FGADMP CN1C(=O)CCc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311394 497892137 /nfs/dbraw/zinc/89/21/37/497892137.db2.gz BLLQXOKITLVMMI-UWJYYQICSA-N 2 1 369.534 3.440 20 0 FGADMP COc1cc(C)ccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000572332427 505943465 /nfs/dbraw/zinc/94/34/65/505943465.db2.gz LHHWRFGAMJMABF-GOSISDBHSA-N 2 1 359.539 3.143 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[C@H](C)OCc3ccccc3)C2)CC1 ZINC000572356133 505948689 /nfs/dbraw/zinc/94/86/89/505948689.db2.gz KZTZWXXIEPBUDO-RBBKRZOGSA-N 2 1 359.558 3.082 20 0 FGADMP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000578479529 505949462 /nfs/dbraw/zinc/94/94/62/505949462.db2.gz OBVRGCCUXWEZAD-CEMLEFRQSA-N 2 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000578479529 505949466 /nfs/dbraw/zinc/94/94/66/505949466.db2.gz OBVRGCCUXWEZAD-CEMLEFRQSA-N 3 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000578479529 505949468 /nfs/dbraw/zinc/94/94/68/505949468.db2.gz OBVRGCCUXWEZAD-CEMLEFRQSA-N 3 1 352.526 3.243 20 0 FGADMP COc1ccc(-c2nc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)cs2)cc1OC ZINC000292272574 497947788 /nfs/dbraw/zinc/94/77/88/497947788.db2.gz ZUNBVFOTLWJTIB-HXUWFJFHSA-N 2 1 373.522 3.355 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000572374081 505953284 /nfs/dbraw/zinc/95/32/84/505953284.db2.gz MIDGIFZPVKTELP-USXIJHARSA-N 2 1 370.946 3.144 20 0 FGADMP Cc1noc(C2CCC([NH2+]Cc3ccc(-n4cc[nH+]c4C)nc3)CC2)n1 ZINC000280965065 497968432 /nfs/dbraw/zinc/96/84/32/497968432.db2.gz KAKQRKYVBPSSCO-UHFFFAOYSA-N 2 1 352.442 3.083 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCC[NH+](C)CC2)CC1 ZINC000281019974 497990283 /nfs/dbraw/zinc/99/02/83/497990283.db2.gz OFYYAKGVQJSEHZ-UHFFFAOYSA-N 3 1 372.601 3.047 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000281019974 497990290 /nfs/dbraw/zinc/99/02/90/497990290.db2.gz OFYYAKGVQJSEHZ-UHFFFAOYSA-N 3 1 372.601 3.047 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000281019974 497990297 /nfs/dbraw/zinc/99/02/97/497990297.db2.gz OFYYAKGVQJSEHZ-UHFFFAOYSA-N 3 1 372.601 3.047 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c(OC)c1 ZINC000572410163 505961793 /nfs/dbraw/zinc/96/17/93/505961793.db2.gz QCGOBTTXOPDDEY-MORSLUCNSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c(OC)c1 ZINC000572410163 505961798 /nfs/dbraw/zinc/96/17/98/505961798.db2.gz QCGOBTTXOPDDEY-MORSLUCNSA-N 2 1 373.522 3.387 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCOC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000296398015 498027486 /nfs/dbraw/zinc/02/74/86/498027486.db2.gz LKGXTGHLQZBPSR-LEWJYISDSA-N 2 1 357.542 3.057 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)oc1C ZINC000285291011 498043500 /nfs/dbraw/zinc/04/35/00/498043500.db2.gz VKDSIFYRFWDMGS-UHFFFAOYSA-N 2 1 372.465 3.137 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000364631951 498059608 /nfs/dbraw/zinc/05/96/08/498059608.db2.gz QCJBUMWYBXTERT-IRSMIETPSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000364631951 498059615 /nfs/dbraw/zinc/05/96/15/498059615.db2.gz QCJBUMWYBXTERT-IRSMIETPSA-N 2 1 362.558 3.033 20 0 FGADMP C[NH+](C/C=C/C[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000364631951 498059624 /nfs/dbraw/zinc/05/96/24/498059624.db2.gz QCJBUMWYBXTERT-IRSMIETPSA-N 2 1 362.558 3.033 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483605 505979954 /nfs/dbraw/zinc/97/99/54/505979954.db2.gz HJHSAIPQGXFNER-WTOYTKOKSA-N 2 1 365.521 3.339 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CCC[N@H+](C)C3)c2c1C ZINC000301491454 498133300 /nfs/dbraw/zinc/13/33/00/498133300.db2.gz NNBZLZCXWDZZKZ-INIZCTEOSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)[C@H]3CCC[N@@H+](C)C3)c2c1C ZINC000301491454 498133306 /nfs/dbraw/zinc/13/33/06/498133306.db2.gz NNBZLZCXWDZZKZ-INIZCTEOSA-N 2 1 373.570 3.434 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000364853527 498174555 /nfs/dbraw/zinc/17/45/55/498174555.db2.gz ZVIXKSWSHXQPNP-USXIJHARSA-N 2 1 351.922 3.213 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCCC1(C)C ZINC000364884398 498190339 /nfs/dbraw/zinc/19/03/39/498190339.db2.gz WTHMPZGBMXTDQD-HXUWFJFHSA-N 2 1 363.590 3.467 20 0 FGADMP Cn1c(Cl)cnc1CNc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000281604333 498210168 /nfs/dbraw/zinc/21/01/68/498210168.db2.gz GCJPWHBKQAALDR-UHFFFAOYSA-N 2 1 361.921 3.464 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](c3cncc(F)c3)C3CC3)CC2)nc(C)[nH+]1 ZINC000281793435 498270107 /nfs/dbraw/zinc/27/01/07/498270107.db2.gz XWERNKLGHYXGDD-FQEVSTJZSA-N 2 1 355.461 3.337 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000286253686 498340404 /nfs/dbraw/zinc/34/04/04/498340404.db2.gz UOIGMKBQRGPJGR-VNXZQDSDSA-N 3 1 373.585 3.256 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCC[NH+]2CCC[C@H]2CO)CC1 ZINC000286253686 498340399 /nfs/dbraw/zinc/34/03/99/498340399.db2.gz UOIGMKBQRGPJGR-VNXZQDSDSA-N 3 1 373.585 3.256 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000286253686 498340408 /nfs/dbraw/zinc/34/04/08/498340408.db2.gz UOIGMKBQRGPJGR-VNXZQDSDSA-N 3 1 373.585 3.256 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000575860652 506020338 /nfs/dbraw/zinc/02/03/38/506020338.db2.gz JYHRICKYIBIMBC-HSZRJFAPSA-N 2 1 365.521 3.438 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1O ZINC000289961981 498371094 /nfs/dbraw/zinc/37/10/94/498371094.db2.gz XBDHMLAWCHJNHI-IAGOWNOFSA-N 2 1 370.493 3.472 20 0 FGADMP CCn1ccnc1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000297258567 498380014 /nfs/dbraw/zinc/38/00/14/498380014.db2.gz YWWGNDFETOGGET-IBGZPJMESA-N 2 1 369.513 3.005 20 0 FGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000572685995 506028850 /nfs/dbraw/zinc/02/88/50/506028850.db2.gz SMLBDJODRAVFTB-QUCCMNQESA-N 2 1 365.525 3.354 20 0 FGADMP C[C@@H]1C[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000572685995 506028853 /nfs/dbraw/zinc/02/88/53/506028853.db2.gz SMLBDJODRAVFTB-QUCCMNQESA-N 2 1 365.525 3.354 20 0 FGADMP CCN(CC)[C@H](CNC(=O)N1CC(C)(C)[C@H]1c1nccn1C)c1ccco1 ZINC000297355229 498417159 /nfs/dbraw/zinc/41/71/59/498417159.db2.gz UYESENYMTSDAQR-NVXWUHKLSA-N 2 1 373.501 3.189 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H](NC[C@@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900787 498438714 /nfs/dbraw/zinc/43/87/14/498438714.db2.gz RIUCHQKBVGTOBT-FXAWDEMLSA-N 2 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900787 498438718 /nfs/dbraw/zinc/43/87/18/498438718.db2.gz RIUCHQKBVGTOBT-FXAWDEMLSA-N 3 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900787 498438724 /nfs/dbraw/zinc/43/87/24/498438724.db2.gz RIUCHQKBVGTOBT-FXAWDEMLSA-N 3 1 355.526 3.049 20 0 FGADMP C[C@]1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000575971174 506045860 /nfs/dbraw/zinc/04/58/60/506045860.db2.gz LBPCOBZJGHQJAE-OAQYLSRUSA-N 2 1 352.482 3.322 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]CCC(=O)Nc3ccccc3)CCCC2)CC1 ZINC000575981336 506048595 /nfs/dbraw/zinc/04/85/95/506048595.db2.gz HLUFXWJDCQBBKL-UHFFFAOYSA-N 2 1 359.514 3.028 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487613 498531408 /nfs/dbraw/zinc/53/14/08/498531408.db2.gz XHEYYVHRYWUIOE-JWHDQAAXSA-N 2 1 352.469 3.283 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487613 498531412 /nfs/dbraw/zinc/53/14/12/498531412.db2.gz XHEYYVHRYWUIOE-JWHDQAAXSA-N 2 1 352.469 3.283 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)c(N)c(Cl)c1 ZINC000282512458 498540977 /nfs/dbraw/zinc/54/09/77/498540977.db2.gz ZDBFKAMUGJQSAP-GFCCVEGCSA-N 2 1 359.345 3.252 20 0 FGADMP COc1ccc(-c2ccccc2C)cc1C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000581726250 506054447 /nfs/dbraw/zinc/05/44/47/506054447.db2.gz FFIPRVVNKTWCFZ-OAQYLSRUSA-N 2 1 365.521 3.150 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000576016180 506056696 /nfs/dbraw/zinc/05/66/96/506056696.db2.gz LFLOSYGJURTQJX-UKRRQHHQSA-N 2 1 367.440 3.079 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000362943295 498584461 /nfs/dbraw/zinc/58/44/61/498584461.db2.gz UESJHLLDBULTBT-WBVHZDCISA-N 2 1 353.457 3.061 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000362943295 498584465 /nfs/dbraw/zinc/58/44/65/498584465.db2.gz UESJHLLDBULTBT-WBVHZDCISA-N 2 1 353.457 3.061 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](Cn3cccn3)C(C)C)CC2)oc1C ZINC000297875421 498595177 /nfs/dbraw/zinc/59/51/77/498595177.db2.gz USQZFFRAAFTQFO-LJQANCHMSA-N 2 1 359.518 3.014 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OCc1cccnc1 ZINC000363001967 498598150 /nfs/dbraw/zinc/59/81/50/498598150.db2.gz XDLMCWDBUNRPTF-UXHICEINSA-N 2 1 367.493 3.386 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OCc1cccnc1 ZINC000363001967 498598158 /nfs/dbraw/zinc/59/81/58/498598158.db2.gz XDLMCWDBUNRPTF-UXHICEINSA-N 2 1 367.493 3.386 20 0 FGADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037203 506061264 /nfs/dbraw/zinc/06/12/64/506061264.db2.gz RTKSIDQTRBGNFQ-HKUYNNGSSA-N 2 1 363.933 3.282 20 0 FGADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037203 506061267 /nfs/dbraw/zinc/06/12/67/506061267.db2.gz RTKSIDQTRBGNFQ-HKUYNNGSSA-N 2 1 363.933 3.282 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624485 498623614 /nfs/dbraw/zinc/62/36/14/498623614.db2.gz CLZFBGNFMSFKGZ-FPOVZHCZSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624485 498623620 /nfs/dbraw/zinc/62/36/20/498623620.db2.gz CLZFBGNFMSFKGZ-FPOVZHCZSA-N 2 1 368.525 3.027 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCc2ccc(N)nc2)c1 ZINC000282755624 498640739 /nfs/dbraw/zinc/64/07/39/498640739.db2.gz BXZWBPLGHPGZDO-UHFFFAOYSA-N 2 1 364.453 3.354 20 0 FGADMP C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000572852827 506067844 /nfs/dbraw/zinc/06/78/44/506067844.db2.gz OLTKBXJMLNZISP-NVXWUHKLSA-N 2 1 360.527 3.239 20 0 FGADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240095 498657072 /nfs/dbraw/zinc/65/70/72/498657072.db2.gz IZULLISGXOMYNB-WIYYLYMNSA-N 2 1 372.557 3.242 20 0 FGADMP CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000572895575 506077917 /nfs/dbraw/zinc/07/79/17/506077917.db2.gz DAFGBPXUGSBTBR-SFTDATJTSA-N 2 1 371.500 3.455 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365959670 498713635 /nfs/dbraw/zinc/71/36/35/498713635.db2.gz BKAUCUVRFRCVCG-KRWDZBQOSA-N 2 1 356.470 3.120 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000314979431 498782704 /nfs/dbraw/zinc/78/27/04/498782704.db2.gz XKFNZXKKEKSWNZ-ZDUSSCGKSA-N 2 1 369.303 3.040 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000314979431 498782711 /nfs/dbraw/zinc/78/27/11/498782711.db2.gz XKFNZXKKEKSWNZ-ZDUSSCGKSA-N 2 1 369.303 3.040 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363373022 498785737 /nfs/dbraw/zinc/78/57/37/498785737.db2.gz AVUHHLGMTBOTGS-RTWAWAEBSA-N 2 1 370.541 3.463 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2c(C)cc(Br)cn12 ZINC000283124834 498788684 /nfs/dbraw/zinc/78/86/84/498788684.db2.gz ZGUJGGXGAPWFED-UHFFFAOYSA-N 2 1 362.275 3.090 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287547717 498794033 /nfs/dbraw/zinc/79/40/33/498794033.db2.gz FMCIAPHLVJSDAK-GOSISDBHSA-N 2 1 371.928 3.174 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283161771 498802904 /nfs/dbraw/zinc/80/29/04/498802904.db2.gz IQUMQQPIBBAERP-JKLQHZFJSA-N 2 1 372.553 3.054 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cc2ccccc2o1 ZINC000573001510 506096998 /nfs/dbraw/zinc/09/69/98/506096998.db2.gz SAOUOFIZOCJDNJ-IAVJCBSLSA-N 2 1 355.482 3.058 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cc2ccccc2o1 ZINC000573001510 506097002 /nfs/dbraw/zinc/09/70/02/506097002.db2.gz SAOUOFIZOCJDNJ-IAVJCBSLSA-N 2 1 355.482 3.058 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccccc1C ZINC000366230263 498832856 /nfs/dbraw/zinc/83/28/56/498832856.db2.gz CPZMDESOMPKORN-KRWDZBQOSA-N 2 1 355.530 3.030 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675528 498833442 /nfs/dbraw/zinc/83/34/42/498833442.db2.gz MLFJYKNQOKTVDL-FHLIZLRMSA-N 2 1 372.431 3.107 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675528 498833436 /nfs/dbraw/zinc/83/34/36/498833436.db2.gz MLFJYKNQOKTVDL-FHLIZLRMSA-N 2 1 372.431 3.107 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cnccc2OC)CC1 ZINC000287763478 498857753 /nfs/dbraw/zinc/85/77/53/498857753.db2.gz MIUVDEGAFXDTMG-MRXNPFEDSA-N 2 1 372.488 3.222 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1CCCc2ccccc21 ZINC000366297022 498864044 /nfs/dbraw/zinc/86/40/44/498864044.db2.gz XEIDVDDLFNSXRN-NRFANRHFSA-N 2 1 367.541 3.038 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cn1cccn1 ZINC000363543206 498870038 /nfs/dbraw/zinc/87/00/38/498870038.db2.gz FCFNTIHMONCVLA-FFZOFVMBSA-N 2 1 354.498 3.217 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366331372 498877877 /nfs/dbraw/zinc/87/78/77/498877877.db2.gz VREHVSDIWKFYJW-HKUYNNGSSA-N 2 1 357.885 3.222 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000295036686 498889217 /nfs/dbraw/zinc/88/92/17/498889217.db2.gz PCFMZLVQKKCNOS-XCLNPWKQSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000295036686 498889221 /nfs/dbraw/zinc/88/92/21/498889221.db2.gz PCFMZLVQKKCNOS-XCLNPWKQSA-N 2 1 359.489 3.094 20 0 FGADMP [NH3+][C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416764 498917348 /nfs/dbraw/zinc/91/73/48/498917348.db2.gz ZHCYYFCKSLWJBD-FPOVZHCZSA-N 2 1 351.494 3.105 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000582008555 506111747 /nfs/dbraw/zinc/11/17/47/506111747.db2.gz RHAZRYMFYCMTOO-FQEVSTJZSA-N 2 1 372.557 3.058 20 0 FGADMP COC(=O)c1ccc(-c2nc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)cs2)cc1 ZINC000366479148 498945061 /nfs/dbraw/zinc/94/50/61/498945061.db2.gz GLLGRKSAQDELRB-HXUWFJFHSA-N 2 1 371.506 3.124 20 0 FGADMP Cc1ccc(NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000363755280 498976302 /nfs/dbraw/zinc/97/63/02/498976302.db2.gz BKFFIVKENISJMQ-UHFFFAOYSA-N 2 1 373.545 3.050 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000291529208 498978783 /nfs/dbraw/zinc/97/87/83/498978783.db2.gz NCRNZJTYZKFZSL-UHFFFAOYSA-N 2 1 357.542 3.089 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC000582064821 506125452 /nfs/dbraw/zinc/12/54/52/506125452.db2.gz RKWMDDWIEMIGLC-NRFANRHFSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C ZINC000299454445 499063973 /nfs/dbraw/zinc/06/39/73/499063973.db2.gz ZLBNLFUSMXVHOY-KGLIPLIRSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@H+]1C ZINC000299454445 499063976 /nfs/dbraw/zinc/06/39/76/499063976.db2.gz ZLBNLFUSMXVHOY-KGLIPLIRSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454445 499063979 /nfs/dbraw/zinc/06/39/79/499063979.db2.gz ZLBNLFUSMXVHOY-KGLIPLIRSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454445 499063982 /nfs/dbraw/zinc/06/39/82/499063982.db2.gz ZLBNLFUSMXVHOY-KGLIPLIRSA-N 2 1 368.319 3.192 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC000366795889 499076835 /nfs/dbraw/zinc/07/68/35/499076835.db2.gz PGRNUUFIVNUIER-WOJBJXKFSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)c1 ZINC000366795889 499076838 /nfs/dbraw/zinc/07/68/38/499076838.db2.gz PGRNUUFIVNUIER-WOJBJXKFSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000366795899 499077032 /nfs/dbraw/zinc/07/70/32/499077032.db2.gz PHIBJVJEWMYJCG-VQTJNVASSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000366795899 499077035 /nfs/dbraw/zinc/07/70/35/499077035.db2.gz PHIBJVJEWMYJCG-VQTJNVASSA-N 2 1 355.457 3.063 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000284329260 499090206 /nfs/dbraw/zinc/09/02/06/499090206.db2.gz LJXKWVBXNFCHJU-PXNSSMCTSA-N 2 1 362.477 3.459 20 0 FGADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000576338415 506134187 /nfs/dbraw/zinc/13/41/87/506134187.db2.gz NSUWPFXDLJITQJ-CXAGYDPISA-N 2 1 361.511 3.156 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000372557752 499145918 /nfs/dbraw/zinc/14/59/18/499145918.db2.gz OVUZDRPNCQUWGS-NNZMDNLPSA-N 2 1 351.535 3.383 20 0 FGADMP CCN(C)C(=O)CN1CCC(c2nc(-c3ccc(F)c(F)c3)c[nH]2)CC1 ZINC000372682678 499160371 /nfs/dbraw/zinc/16/03/71/499160371.db2.gz SWUAOMPJBOYCGT-UHFFFAOYSA-N 2 1 362.424 3.013 20 0 FGADMP Cc1ccc2cc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)ccc2n1 ZINC000372686920 499161183 /nfs/dbraw/zinc/16/11/83/499161183.db2.gz ZRCDSGRKTBMKLN-OAQYLSRUSA-N 2 1 352.526 3.144 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000372801724 499177472 /nfs/dbraw/zinc/17/74/72/499177472.db2.gz LNPBQPCRUNAXQH-FQEVSTJZSA-N 2 1 363.590 3.469 20 0 FGADMP CC(C)[C@@H](C)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370264602 499203777 /nfs/dbraw/zinc/20/37/77/499203777.db2.gz JNHRPCUMTPHAIR-SFHVURJKSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H](C1CC1)N(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000367888845 499242140 /nfs/dbraw/zinc/24/21/40/499242140.db2.gz ZBPHTWXDPSIFTH-KRWDZBQOSA-N 2 1 370.541 3.019 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669910 499242264 /nfs/dbraw/zinc/24/22/64/499242264.db2.gz SMEUEGXOUSSFTP-RXVVDRJESA-N 3 1 352.526 3.262 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669910 499242265 /nfs/dbraw/zinc/24/22/65/499242265.db2.gz SMEUEGXOUSSFTP-RXVVDRJESA-N 3 1 352.526 3.262 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC)c1OCC(F)F ZINC000367957654 499249703 /nfs/dbraw/zinc/24/97/03/499249703.db2.gz MTILLQPTLJBRQA-LSDHHAIUSA-N 2 1 370.440 3.064 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC)c1OCC(F)F ZINC000367957654 499249705 /nfs/dbraw/zinc/24/97/05/499249705.db2.gz MTILLQPTLJBRQA-LSDHHAIUSA-N 2 1 370.440 3.064 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367962759 499250201 /nfs/dbraw/zinc/25/02/01/499250201.db2.gz KABLYVSBBNZPNO-IRLDBZIGSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367962759 499250203 /nfs/dbraw/zinc/25/02/03/499250203.db2.gz KABLYVSBBNZPNO-IRLDBZIGSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367962759 499250204 /nfs/dbraw/zinc/25/02/04/499250204.db2.gz KABLYVSBBNZPNO-IRLDBZIGSA-N 2 1 373.504 3.426 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000368031275 499257169 /nfs/dbraw/zinc/25/71/69/499257169.db2.gz SPUZFALFFJOBQV-UHFFFAOYSA-N 2 1 356.861 3.332 20 0 FGADMP CC(C)N1CCc2nc(C[N@@H+]3CCCCC[C@@H]3C[C@H](C)O)sc2C1 ZINC000368037996 499258226 /nfs/dbraw/zinc/25/82/26/499258226.db2.gz OCVCTRCUIPFBEM-JKSUJKDBSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC[C@@H]3C[C@H](C)O)sc2C1 ZINC000368037996 499258227 /nfs/dbraw/zinc/25/82/27/499258227.db2.gz OCVCTRCUIPFBEM-JKSUJKDBSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC[C@@H]3C[C@H](C)O)sc2C1 ZINC000368037996 499258231 /nfs/dbraw/zinc/25/82/31/499258231.db2.gz OCVCTRCUIPFBEM-JKSUJKDBSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC[C@@H]3C[C@H](C)O)sc2C1 ZINC000368037996 499258232 /nfs/dbraw/zinc/25/82/32/499258232.db2.gz OCVCTRCUIPFBEM-JKSUJKDBSA-N 2 1 351.560 3.425 20 0 FGADMP Cc1cnccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368060483 499260564 /nfs/dbraw/zinc/26/05/64/499260564.db2.gz NEAISZAFGWWKPX-MOPGFXCFSA-N 2 1 350.466 3.083 20 0 FGADMP CC(C)C[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368147448 499269095 /nfs/dbraw/zinc/26/90/95/499269095.db2.gz KBYHLEBVAPPZSM-GOSISDBHSA-N 2 1 351.579 3.323 20 0 FGADMP COc1ccc([C@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@@H+]2C)cc1 ZINC000368223754 499275739 /nfs/dbraw/zinc/27/57/39/499275739.db2.gz BFIPTFNVDYIJTL-JXFKEZNVSA-N 2 1 365.481 3.091 20 0 FGADMP COc1ccc([C@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@H+]2C)cc1 ZINC000368223754 499275741 /nfs/dbraw/zinc/27/57/41/499275741.db2.gz BFIPTFNVDYIJTL-JXFKEZNVSA-N 2 1 365.481 3.091 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H](C)C1 ZINC000371094074 499287816 /nfs/dbraw/zinc/28/78/16/499287816.db2.gz NRDKPNUTVPEPRN-QZTJIDSGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000368354098 499288431 /nfs/dbraw/zinc/28/84/31/499288431.db2.gz HDMAHMOTHJUPCW-PFRQMTDMSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1C[C@@H]([NH+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000368354098 499288433 /nfs/dbraw/zinc/28/84/33/499288433.db2.gz HDMAHMOTHJUPCW-PFRQMTDMSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354098 499288435 /nfs/dbraw/zinc/28/84/35/499288435.db2.gz HDMAHMOTHJUPCW-PFRQMTDMSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1C[C@@H]([N@H+]2C[C@H]3CCC[C@@]3(CNC(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000368354098 499288436 /nfs/dbraw/zinc/28/84/36/499288436.db2.gz HDMAHMOTHJUPCW-PFRQMTDMSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416546 499293817 /nfs/dbraw/zinc/29/38/17/499293817.db2.gz LCVJIPYZYFALIL-YSGRDPCXSA-N 2 1 373.472 3.460 20 0 FGADMP CN(Cc1coc(-c2cccs2)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000371257373 499303159 /nfs/dbraw/zinc/30/31/59/499303159.db2.gz GNOINKFUYBNHDE-QGZVFWFLSA-N 2 1 360.527 3.003 20 0 FGADMP CN(Cc1coc(-c2cccs2)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371257373 499303162 /nfs/dbraw/zinc/30/31/62/499303162.db2.gz GNOINKFUYBNHDE-QGZVFWFLSA-N 2 1 360.527 3.003 20 0 FGADMP CCCC[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368522695 499304340 /nfs/dbraw/zinc/30/43/40/499304340.db2.gz QSWMRCFJMHLTFI-SFHVURJKSA-N 2 1 351.579 3.467 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000368651270 499317450 /nfs/dbraw/zinc/31/74/50/499317450.db2.gz UEKVGNILAHALAU-ABHNRTSZSA-N 2 1 361.496 3.455 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000368877893 499342707 /nfs/dbraw/zinc/34/27/07/499342707.db2.gz XYYZZPWNYWCKJA-IAGOWNOFSA-N 2 1 363.299 3.441 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000368877893 499342708 /nfs/dbraw/zinc/34/27/08/499342708.db2.gz XYYZZPWNYWCKJA-IAGOWNOFSA-N 2 1 363.299 3.441 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CO2 ZINC000368877895 499342922 /nfs/dbraw/zinc/34/29/22/499342922.db2.gz XYYZZPWNYWCKJA-SJORKVTESA-N 2 1 363.299 3.441 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CO2 ZINC000368877895 499342924 /nfs/dbraw/zinc/34/29/24/499342924.db2.gz XYYZZPWNYWCKJA-SJORKVTESA-N 2 1 363.299 3.441 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000371978467 499386176 /nfs/dbraw/zinc/38/61/76/499386176.db2.gz IJXUAIRRQXFBMS-FCEUIQTBSA-N 2 1 359.558 3.382 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000372054991 499393923 /nfs/dbraw/zinc/39/39/23/499393923.db2.gz JMDOOQAFEIJCKX-BAGYTPMASA-N 3 1 365.606 3.224 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000372054991 499393924 /nfs/dbraw/zinc/39/39/24/499393924.db2.gz JMDOOQAFEIJCKX-BAGYTPMASA-N 2 1 365.606 3.224 20 0 FGADMP CC(C)n1cccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372361964 499424881 /nfs/dbraw/zinc/42/48/81/499424881.db2.gz UDIZAASAYQLHGH-UHFFFAOYSA-N 2 1 374.573 3.337 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000369767130 499441819 /nfs/dbraw/zinc/44/18/19/499441819.db2.gz QHKHLZNXFAHYHI-XMSQKQJNSA-N 2 1 371.569 3.272 20 0 FGADMP NC(=O)C1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000373142236 499453442 /nfs/dbraw/zinc/45/34/42/499453442.db2.gz SXTWWEOKBMKDNX-CBRFPRNKSA-N 2 1 355.526 3.063 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1F ZINC000373377620 499466294 /nfs/dbraw/zinc/46/62/94/499466294.db2.gz OOYMYMBSOJKNEC-AWEZNQCLSA-N 2 1 370.472 3.371 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378339136 499503585 /nfs/dbraw/zinc/50/35/85/499503585.db2.gz DQRFIGRWRKBDJP-DENIHFKCSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378339136 499503586 /nfs/dbraw/zinc/50/35/86/499503586.db2.gz DQRFIGRWRKBDJP-DENIHFKCSA-N 2 1 371.569 3.466 20 0 FGADMP CCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000378370819 499508146 /nfs/dbraw/zinc/50/81/46/499508146.db2.gz MPGKXGUIFPHCQS-QWFCFKBJSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000378370819 499508147 /nfs/dbraw/zinc/50/81/47/499508147.db2.gz MPGKXGUIFPHCQS-QWFCFKBJSA-N 2 1 362.514 3.168 20 0 FGADMP CN(Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000378434810 499516341 /nfs/dbraw/zinc/51/63/41/499516341.db2.gz SKEDSTSDYDCUQT-LJQANCHMSA-N 2 1 372.488 3.081 20 0 FGADMP CN(Cc1ncc(-c2cccc(F)c2)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378434810 499516343 /nfs/dbraw/zinc/51/63/43/499516343.db2.gz SKEDSTSDYDCUQT-LJQANCHMSA-N 2 1 372.488 3.081 20 0 FGADMP CCOC1CC2(C1)CC[NH+](CCC[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000375738239 499550019 /nfs/dbraw/zinc/55/00/19/499550019.db2.gz LRCILXAYMGOIFG-UHFFFAOYSA-N 2 1 350.547 3.159 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000388516682 499550955 /nfs/dbraw/zinc/55/09/55/499550955.db2.gz QKTKZUSTZZPJDO-YSIASYRMSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000388516682 499550956 /nfs/dbraw/zinc/55/09/56/499550956.db2.gz QKTKZUSTZZPJDO-YSIASYRMSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000388516682 499550958 /nfs/dbraw/zinc/55/09/58/499550958.db2.gz QKTKZUSTZZPJDO-YSIASYRMSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000388516682 499550959 /nfs/dbraw/zinc/55/09/59/499550959.db2.gz QKTKZUSTZZPJDO-YSIASYRMSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc2n1 ZINC000375886774 499564776 /nfs/dbraw/zinc/56/47/76/499564776.db2.gz ATXCCKFGQICUPP-FQEVSTJZSA-N 2 1 352.526 3.144 20 0 FGADMP CC(C)c1[nH]ccc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375888466 499564897 /nfs/dbraw/zinc/56/48/97/499564897.db2.gz LLTQTNCGKOMTBL-UHFFFAOYSA-N 2 1 360.546 3.064 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000375999082 499574832 /nfs/dbraw/zinc/57/48/32/499574832.db2.gz IZXIVAKMOKTTDG-UHFFFAOYSA-N 2 1 368.525 3.307 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c(C[NH+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000376013537 499576226 /nfs/dbraw/zinc/57/62/26/499576226.db2.gz IZFSLNMINHSEAF-GXRSIYKFSA-N 2 1 356.510 3.193 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000376318095 499600022 /nfs/dbraw/zinc/60/00/22/499600022.db2.gz FSEGSHPPCJDAPO-GCJKJVERSA-N 2 1 365.521 3.437 20 0 FGADMP CCOC(=O)c1csc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000376455289 499610192 /nfs/dbraw/zinc/61/01/92/499610192.db2.gz PSTFVUPABJDPGH-INIZCTEOSA-N 2 1 365.543 3.374 20 0 FGADMP CCOC(=O)c1csc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000376455289 499610194 /nfs/dbraw/zinc/61/01/94/499610194.db2.gz PSTFVUPABJDPGH-INIZCTEOSA-N 2 1 365.543 3.374 20 0 FGADMP CN(C(=O)N[C@@H]1CC[NH+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376676553 499627963 /nfs/dbraw/zinc/62/79/63/499627963.db2.gz BFFBPZKVKCNQTP-BLMTVLTRSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376676553 499627964 /nfs/dbraw/zinc/62/79/64/499627964.db2.gz BFFBPZKVKCNQTP-BLMTVLTRSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376676553 499627965 /nfs/dbraw/zinc/62/79/65/499627965.db2.gz BFFBPZKVKCNQTP-BLMTVLTRSA-N 2 1 362.562 3.050 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000377166448 499667430 /nfs/dbraw/zinc/66/74/30/499667430.db2.gz DKACAUNGCKTGEY-AABGKKOBSA-N 2 1 367.493 3.101 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000377166448 499667431 /nfs/dbraw/zinc/66/74/31/499667431.db2.gz DKACAUNGCKTGEY-AABGKKOBSA-N 2 1 367.493 3.101 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235691 499672586 /nfs/dbraw/zinc/67/25/86/499672586.db2.gz DAVASMGOHOQVDC-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP COc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(SC)cc1OC ZINC000377626134 499712207 /nfs/dbraw/zinc/71/22/07/499712207.db2.gz NETQSEKKCKMDMC-XYPWUTKMSA-N 2 1 350.528 3.483 20 0 FGADMP CCCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411218334 499712656 /nfs/dbraw/zinc/71/26/56/499712656.db2.gz IARCFFPEWHYVOL-NRFANRHFSA-N 2 1 357.542 3.411 20 0 FGADMP COc1ccc(O)cc1[C@@H](C)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377641340 499714246 /nfs/dbraw/zinc/71/42/46/499714246.db2.gz DHNNVGKPRODSNQ-SJLPKXTDSA-N 2 1 355.482 3.359 20 0 FGADMP COc1ccc(O)cc1[C@@H](C)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377641340 499714247 /nfs/dbraw/zinc/71/42/47/499714247.db2.gz DHNNVGKPRODSNQ-SJLPKXTDSA-N 2 1 355.482 3.359 20 0 FGADMP CN1CCN([C@H]2CCCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693292 499720713 /nfs/dbraw/zinc/72/07/13/499720713.db2.gz KFWWNCKALQNMCY-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693292 499720714 /nfs/dbraw/zinc/72/07/14/499720714.db2.gz KFWWNCKALQNMCY-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693292 499720716 /nfs/dbraw/zinc/72/07/16/499720716.db2.gz KFWWNCKALQNMCY-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP c1cn(-c2ccc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756892 499729078 /nfs/dbraw/zinc/72/90/78/499729078.db2.gz BAJRIZVAYIBOEI-VXKWHMMOSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756892 499729080 /nfs/dbraw/zinc/72/90/80/499729080.db2.gz BAJRIZVAYIBOEI-VXKWHMMOSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756892 499729082 /nfs/dbraw/zinc/72/90/82/499729082.db2.gz BAJRIZVAYIBOEI-VXKWHMMOSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756892 499729084 /nfs/dbraw/zinc/72/90/84/499729084.db2.gz BAJRIZVAYIBOEI-VXKWHMMOSA-N 2 1 373.504 3.221 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000377779976 499732294 /nfs/dbraw/zinc/73/22/94/499732294.db2.gz GPDRNYDVFJKUBL-GOSISDBHSA-N 2 1 374.529 3.109 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817992 499738235 /nfs/dbraw/zinc/73/82/35/499738235.db2.gz DIBXQFLCCJGORA-BHDDXSALSA-N 2 1 363.505 3.123 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000411437640 499740221 /nfs/dbraw/zinc/74/02/21/499740221.db2.gz AHSNBVFEQALHAA-UHFFFAOYSA-N 2 1 360.889 3.493 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CCc1nc(-c3ccc(Cl)cc3)no1)CC2 ZINC000411437640 499740222 /nfs/dbraw/zinc/74/02/22/499740222.db2.gz AHSNBVFEQALHAA-UHFFFAOYSA-N 2 1 360.889 3.493 20 0 FGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@H]3C)c[nH]c2c1 ZINC000378163925 499761569 /nfs/dbraw/zinc/76/15/69/499761569.db2.gz HUAJMBIOEQOWED-YFVAEKQCSA-N 2 1 355.526 3.498 20 0 FGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@H]3C)c[nH]c2c1 ZINC000378163924 499761637 /nfs/dbraw/zinc/76/16/37/499761637.db2.gz HUAJMBIOEQOWED-SLYNCCJLSA-N 2 1 355.526 3.498 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131692 499763208 /nfs/dbraw/zinc/76/32/08/499763208.db2.gz YGICHIJOAVWFAQ-GCJKJVERSA-N 2 1 354.494 3.291 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131692 499763209 /nfs/dbraw/zinc/76/32/09/499763209.db2.gz YGICHIJOAVWFAQ-GCJKJVERSA-N 2 1 354.494 3.291 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000414257610 499771857 /nfs/dbraw/zinc/77/18/57/499771857.db2.gz FLPQFFFVQFWSLI-DXBBTUNJSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1CCOC ZINC000414257610 499771858 /nfs/dbraw/zinc/77/18/58/499771858.db2.gz FLPQFFFVQFWSLI-DXBBTUNJSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000414261469 499772548 /nfs/dbraw/zinc/77/25/48/499772548.db2.gz IBHXJFICXXAPNS-NJDAHSKKSA-N 2 1 358.526 3.215 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000414261469 499772550 /nfs/dbraw/zinc/77/25/50/499772550.db2.gz IBHXJFICXXAPNS-NJDAHSKKSA-N 2 1 358.526 3.215 20 0 FGADMP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779485 499789893 /nfs/dbraw/zinc/78/98/93/499789893.db2.gz CVSNTKMZHRGPHT-YPAWHYETSA-N 2 1 358.526 3.034 20 0 FGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1C(F)(F)F ZINC000411887660 499800268 /nfs/dbraw/zinc/80/02/68/499800268.db2.gz YZYVBVOAOMXNPL-UHFFFAOYSA-N 2 1 357.420 3.498 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000414508932 499800701 /nfs/dbraw/zinc/80/07/01/499800701.db2.gz AGNNAKNOMOCDRA-NHCUHLMSSA-N 2 1 356.514 3.091 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000414508932 499800703 /nfs/dbraw/zinc/80/07/03/499800703.db2.gz AGNNAKNOMOCDRA-NHCUHLMSSA-N 2 1 356.514 3.091 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000414695839 499820968 /nfs/dbraw/zinc/82/09/68/499820968.db2.gz FPFFZUIVQHEECG-FQEVSTJZSA-N 2 1 369.484 3.025 20 0 FGADMP COCC[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414753798 499826924 /nfs/dbraw/zinc/82/69/24/499826924.db2.gz FEQCWPNSPINWBW-CHWSQXEVSA-N 2 1 361.349 3.347 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2csc(-c3ccc(F)cc3)n2)CC12CCOCC2 ZINC000414776014 499829610 /nfs/dbraw/zinc/82/96/10/499829610.db2.gz CTVFEBQQPDTFEJ-HNNXBMFYSA-N 2 1 361.486 3.137 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2csc(-c3ccc(F)cc3)n2)CC12CCOCC2 ZINC000414776014 499829612 /nfs/dbraw/zinc/82/96/12/499829612.db2.gz CTVFEBQQPDTFEJ-HNNXBMFYSA-N 2 1 361.486 3.137 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787214 499831117 /nfs/dbraw/zinc/83/11/17/499831117.db2.gz VKCPAWIMLQYNNH-RTWAWAEBSA-N 2 1 352.526 3.370 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414810271 499833467 /nfs/dbraw/zinc/83/34/67/499833467.db2.gz VESHWBFOMBPURF-UKRRQHHQSA-N 2 1 363.303 3.446 20 0 FGADMP COc1cc(C[NH2+]CC2([NH3+])CCCCC2)ccc1OCc1ccncc1 ZINC000414840991 499836361 /nfs/dbraw/zinc/83/63/61/499836361.db2.gz KVLLMRDTYSMUQB-UHFFFAOYSA-N 2 1 355.482 3.420 20 0 FGADMP COc1cc(Br)ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414876295 499840318 /nfs/dbraw/zinc/84/03/18/499840318.db2.gz KMFQNTIUFRFULL-UHFFFAOYSA-N 2 1 364.287 3.122 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1C ZINC000414876620 499840515 /nfs/dbraw/zinc/84/05/15/499840515.db2.gz KQXPGGHDMHMPEW-KRWDZBQOSA-N 2 1 354.498 3.185 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000414898051 499842860 /nfs/dbraw/zinc/84/28/60/499842860.db2.gz FSWRCWOLKCDAPW-QAPCUYQASA-N 2 1 355.486 3.256 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414920340 499844570 /nfs/dbraw/zinc/84/45/70/499844570.db2.gz ZCLFETIFQYDKKO-NRFANRHFSA-N 2 1 355.482 3.149 20 0 FGADMP C[C@@H]([NH3+])c1ccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000414965159 499849666 /nfs/dbraw/zinc/84/96/66/499849666.db2.gz NDUYGPIMLPCWLF-MRXNPFEDSA-N 2 1 368.481 3.225 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056740 499859199 /nfs/dbraw/zinc/85/91/99/499859199.db2.gz QNGGCVVIJMSVDT-VNCLNFNDSA-N 2 1 369.475 3.442 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070406 499860497 /nfs/dbraw/zinc/86/04/97/499860497.db2.gz UXTLLAMXLZPVRZ-LRDDRELGSA-N 2 1 368.319 3.273 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415071126 499860655 /nfs/dbraw/zinc/86/06/55/499860655.db2.gz VYODRSVWEYWWJG-OAHLLOKOSA-N 2 1 371.319 3.464 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCN[C@H](c2ccccc2)C1 ZINC000415078156 499861513 /nfs/dbraw/zinc/86/15/13/499861513.db2.gz FQXSGRVKCKLZMW-SFTDATJTSA-N 2 1 353.510 3.210 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)cc3F)CC2)C1 ZINC000415128606 499867535 /nfs/dbraw/zinc/86/75/35/499867535.db2.gz SMNHMIGNKXZMHL-NVXWUHKLSA-N 2 1 371.294 3.307 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000415926972 499929402 /nfs/dbraw/zinc/92/94/02/499929402.db2.gz CKJLZDRYJVZLLB-UHFFFAOYSA-N 2 1 352.482 3.146 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000415931814 499930036 /nfs/dbraw/zinc/93/00/36/499930036.db2.gz CIGAYROTKHRGHA-IBGZPJMESA-N 2 1 374.529 3.190 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000415965927 499934653 /nfs/dbraw/zinc/93/46/53/499934653.db2.gz AYVKHVJLKVQJHA-UHFFFAOYSA-N 2 1 374.529 3.144 20 0 FGADMP CC(C)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000415974464 499936009 /nfs/dbraw/zinc/93/60/09/499936009.db2.gz LKZNWPOUGRBIAT-OAQYLSRUSA-N 2 1 366.509 3.350 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000415975307 499936249 /nfs/dbraw/zinc/93/62/49/499936249.db2.gz SQIHKZNTDAHTSR-UHFFFAOYSA-N 2 1 358.408 3.112 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417027980 499951356 /nfs/dbraw/zinc/95/13/56/499951356.db2.gz BDUUVOICHYONLC-IBGZPJMESA-N 2 1 360.546 3.202 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416146200 499958312 /nfs/dbraw/zinc/95/83/12/499958312.db2.gz UIXQIIXIEMRTHB-JQVVWYNYSA-N 2 1 369.553 3.299 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416146200 499958316 /nfs/dbraw/zinc/95/83/16/499958316.db2.gz UIXQIIXIEMRTHB-JQVVWYNYSA-N 2 1 369.553 3.299 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416146200 499958317 /nfs/dbraw/zinc/95/83/17/499958317.db2.gz UIXQIIXIEMRTHB-JQVVWYNYSA-N 2 1 369.553 3.299 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000428957371 499968556 /nfs/dbraw/zinc/96/85/56/499968556.db2.gz QONOHFBVXYUOIE-ROUUACIJSA-N 2 1 362.562 3.173 20 0 FGADMP C[C@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000428982972 499973263 /nfs/dbraw/zinc/97/32/63/499973263.db2.gz UJOZNQPLDOIJQJ-UGKGYDQZSA-N 2 1 365.521 3.193 20 0 FGADMP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000416189162 499974521 /nfs/dbraw/zinc/97/45/21/499974521.db2.gz ACUNMJUDLDBMRT-AZUAARDMSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189162 499974523 /nfs/dbraw/zinc/97/45/23/499974523.db2.gz ACUNMJUDLDBMRT-AZUAARDMSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189162 499974525 /nfs/dbraw/zinc/97/45/25/499974525.db2.gz ACUNMJUDLDBMRT-AZUAARDMSA-N 2 1 369.553 3.204 20 0 FGADMP COC(=O)[C@@H]1C[N@H+](CCCn2cc[nH+]c2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429127842 500008560 /nfs/dbraw/zinc/00/85/60/500008560.db2.gz DLTURLJIQYFAKR-ZWKOTPCHSA-N 2 1 361.873 3.124 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CCCn2cc[nH+]c2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429127842 500008562 /nfs/dbraw/zinc/00/85/62/500008562.db2.gz DLTURLJIQYFAKR-ZWKOTPCHSA-N 2 1 361.873 3.124 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(C(C)C)s3)CC2)CC1 ZINC000421368843 500028406 /nfs/dbraw/zinc/02/84/06/500028406.db2.gz GRBJEFWSPNQWPM-UHFFFAOYSA-N 2 1 350.576 3.259 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccc(F)cc4[nH]3)CC2)CC1 ZINC000421382892 500033416 /nfs/dbraw/zinc/03/34/16/500033416.db2.gz YTMHPWSBOQTQOI-UHFFFAOYSA-N 2 1 358.505 3.299 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1(O)CCOCC1 ZINC000417350993 500046196 /nfs/dbraw/zinc/04/61/96/500046196.db2.gz ATTXRQYFJVPJEV-PWRODBHTSA-N 2 1 372.553 3.054 20 0 FGADMP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000425243921 500054193 /nfs/dbraw/zinc/05/41/93/500054193.db2.gz UMGNJWBGAFQUQJ-ZDUSSCGKSA-N 2 1 361.287 3.299 20 0 FGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000429364309 500060503 /nfs/dbraw/zinc/06/05/03/500060503.db2.gz QSGFHQSSGWZPTE-DSKINZAPSA-N 2 1 357.542 3.495 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544556 500097865 /nfs/dbraw/zinc/09/78/65/500097865.db2.gz YQTGOIYIKJMVHB-LSDHHAIUSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544556 500097869 /nfs/dbraw/zinc/09/78/69/500097869.db2.gz YQTGOIYIKJMVHB-LSDHHAIUSA-N 2 1 361.313 3.149 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545590 500103395 /nfs/dbraw/zinc/10/33/95/500103395.db2.gz XWZPZRHCEAOMNR-OAHLLOKOSA-N 2 1 368.472 3.153 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692790 500124962 /nfs/dbraw/zinc/12/49/62/500124962.db2.gz WLCDRRMYVCCBPN-PKTZIBPZSA-N 2 1 365.521 3.464 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[C@@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692790 500124964 /nfs/dbraw/zinc/12/49/64/500124964.db2.gz WLCDRRMYVCCBPN-PKTZIBPZSA-N 2 1 365.521 3.464 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702894 500152887 /nfs/dbraw/zinc/15/28/87/500152887.db2.gz JEOLDPDOYQXRIN-ICSRJNTNSA-N 2 1 358.530 3.126 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(C)C ZINC000414101261 500153748 /nfs/dbraw/zinc/15/37/48/500153748.db2.gz BQSWKWACLHKKOX-HSALFYBXSA-N 2 1 360.542 3.325 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000579455045 506179031 /nfs/dbraw/zinc/17/90/31/506179031.db2.gz NWGJCATYCXLBHL-WBVHZDCISA-N 2 1 360.889 3.397 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)c(F)c1 ZINC000421830466 500161196 /nfs/dbraw/zinc/16/11/96/500161196.db2.gz JYAOGLKBHSIRAD-UZLBHIALSA-N 2 1 352.494 3.358 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)c(F)c1 ZINC000421838579 500161881 /nfs/dbraw/zinc/16/18/81/500161881.db2.gz VOQOJBGZHRSYML-JXFKEZNVSA-N 2 1 350.478 3.112 20 0 FGADMP COC1([C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000421876080 500168010 /nfs/dbraw/zinc/16/80/10/500168010.db2.gz YQEUCFFTPNFJCB-WJMWBRGCSA-N 2 1 358.526 3.356 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000416969953 500170211 /nfs/dbraw/zinc/17/02/11/500170211.db2.gz MFWVZGSNCAWITI-FPOVZHCZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416972857 500171181 /nfs/dbraw/zinc/17/11/81/500171181.db2.gz IUPTYJOIABUACO-AZUAARDMSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416973755 500172097 /nfs/dbraw/zinc/17/20/97/500172097.db2.gz KFXUWRRMLKDVMY-WMQCIHAUSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000416976124 500172886 /nfs/dbraw/zinc/17/28/86/500172886.db2.gz NWVUMXPOFRTUFI-GHTZIAJQSA-N 2 1 372.557 3.392 20 0 FGADMP C[C@H](CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000417806600 500175555 /nfs/dbraw/zinc/17/55/55/500175555.db2.gz BGNXGZKMXORUTM-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000417856611 500184841 /nfs/dbraw/zinc/18/48/41/500184841.db2.gz MZEPSWQCMZNNKG-KXBFYZLASA-N 2 1 357.502 3.257 20 0 FGADMP CCCN(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC[NH2+]CC1 ZINC000417856224 500185304 /nfs/dbraw/zinc/18/53/04/500185304.db2.gz MLKHLCQNDZSVJD-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417859739 500185896 /nfs/dbraw/zinc/18/58/96/500185896.db2.gz SNZZBSZXCDYALR-KXBFYZLASA-N 2 1 355.486 3.025 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000417862343 500186255 /nfs/dbraw/zinc/18/62/55/500186255.db2.gz OXOZMGJXRHHAGV-UHFFFAOYSA-N 2 1 365.521 3.185 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]2C[NH2+]C)c1 ZINC000417890358 500192980 /nfs/dbraw/zinc/19/29/80/500192980.db2.gz ZFVPAWUKRKOBTE-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417923208 500198923 /nfs/dbraw/zinc/19/89/23/500198923.db2.gz KLMYVWYJJSJPFT-YSIASYRMSA-N 2 1 360.546 3.104 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H]1c1ccccc1 ZINC000417950168 500203332 /nfs/dbraw/zinc/20/33/32/500203332.db2.gz VVXYHDUDNBCINY-QHAWAJNXSA-N 2 1 366.509 3.211 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417977415 500207586 /nfs/dbraw/zinc/20/75/86/500207586.db2.gz BUGMPEKMEVRCCD-IAOVAPTHSA-N 2 1 370.900 3.039 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417977415 500207587 /nfs/dbraw/zinc/20/75/87/500207587.db2.gz BUGMPEKMEVRCCD-IAOVAPTHSA-N 2 1 370.900 3.039 20 0 FGADMP C[N@@H+](Cc1ccc2ncccc2c1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425935913 500214151 /nfs/dbraw/zinc/21/41/51/500214151.db2.gz GIWYWBMGMWMRLS-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP CN(Cc1ccc2ncccc2c1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425935913 500214154 /nfs/dbraw/zinc/21/41/54/500214154.db2.gz GIWYWBMGMWMRLS-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP CN(Cc1ccc2ncccc2c1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425935913 500214156 /nfs/dbraw/zinc/21/41/56/500214156.db2.gz GIWYWBMGMWMRLS-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP COc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000425960828 500217061 /nfs/dbraw/zinc/21/70/61/500217061.db2.gz ZAHVPGWEXDFWIU-KDURUIRLSA-N 2 1 352.478 3.364 20 0 FGADMP COc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000425960828 500217063 /nfs/dbraw/zinc/21/70/63/500217063.db2.gz ZAHVPGWEXDFWIU-KDURUIRLSA-N 2 1 352.478 3.364 20 0 FGADMP COc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000425960828 500217066 /nfs/dbraw/zinc/21/70/66/500217066.db2.gz ZAHVPGWEXDFWIU-KDURUIRLSA-N 2 1 352.478 3.364 20 0 FGADMP COc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000425960828 500217067 /nfs/dbraw/zinc/21/70/67/500217067.db2.gz ZAHVPGWEXDFWIU-KDURUIRLSA-N 2 1 352.478 3.364 20 0 FGADMP C[C@@]1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044852 500220003 /nfs/dbraw/zinc/22/00/03/500220003.db2.gz NLHJKCYDZORMOV-UNMCSNQZSA-N 2 1 366.509 3.040 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)C3CCCCC3)CC2)CC1 ZINC000422224510 500237206 /nfs/dbraw/zinc/23/72/06/500237206.db2.gz FGBZVELQPSGBTM-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247633 500240743 /nfs/dbraw/zinc/24/07/43/500240743.db2.gz XJLPULCYABDEMQ-VCAKUFKGSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000430557793 500254300 /nfs/dbraw/zinc/25/43/00/500254300.db2.gz XECBWTBLCCEMPL-KNQAVFIVSA-N 2 1 371.569 3.225 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)cc1 ZINC000430557793 500254303 /nfs/dbraw/zinc/25/43/03/500254303.db2.gz XECBWTBLCCEMPL-KNQAVFIVSA-N 2 1 371.569 3.225 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000426288836 500256996 /nfs/dbraw/zinc/25/69/96/500256996.db2.gz KIOLDJJFSHMMLN-NSHGMRRFSA-N 2 1 363.521 3.131 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595671 500260367 /nfs/dbraw/zinc/26/03/67/500260367.db2.gz YFWNKLCDGMGQDP-IAGYGMIVSA-N 2 1 357.542 3.190 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595671 500260369 /nfs/dbraw/zinc/26/03/69/500260369.db2.gz YFWNKLCDGMGQDP-IAGYGMIVSA-N 2 1 357.542 3.190 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418311195 500260743 /nfs/dbraw/zinc/26/07/43/500260743.db2.gz LMRCANDHKNZKRF-JYAXBFRTSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615276 500262237 /nfs/dbraw/zinc/26/22/37/500262237.db2.gz AYSKEXVOSSVMEZ-UKRRQHHQSA-N 2 1 370.324 3.198 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418338142 500264691 /nfs/dbraw/zinc/26/46/91/500264691.db2.gz JQBWIWQULIYJMC-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418410222 500273225 /nfs/dbraw/zinc/27/32/25/500273225.db2.gz OMLUDZRABQCSBA-SFTDATJTSA-N 2 1 372.557 3.058 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1)CC(C)C ZINC000418427560 500275473 /nfs/dbraw/zinc/27/54/73/500275473.db2.gz OEWAAKQIAVBUDP-LJQANCHMSA-N 2 1 354.583 3.149 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418426733 500275539 /nfs/dbraw/zinc/27/55/39/500275539.db2.gz MNEMAXVEDPAFKJ-VQTJNVASSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000418530086 500287916 /nfs/dbraw/zinc/28/79/16/500287916.db2.gz VHLHCNUNOPEAGK-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725986 500290837 /nfs/dbraw/zinc/29/08/37/500290837.db2.gz CXFYBWQIRCUMNE-VAMGGRTRSA-N 2 1 374.525 3.263 20 0 FGADMP CCOc1c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)nn1CC(C)C ZINC000582328232 506187826 /nfs/dbraw/zinc/18/78/26/506187826.db2.gz QLTZMXIPZGCBEC-LJQANCHMSA-N 2 1 362.562 3.410 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCCC[C@H]3N)CC2)c1 ZINC000422815501 500301645 /nfs/dbraw/zinc/30/16/45/500301645.db2.gz XRLRVWBLXMYAQN-FGZHOGPDSA-N 2 1 358.574 3.147 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000430927265 500308481 /nfs/dbraw/zinc/30/84/81/500308481.db2.gz HYNNQLHSPLFBED-OAQYLSRUSA-N 2 1 371.550 3.194 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689069 500308627 /nfs/dbraw/zinc/30/86/27/500308627.db2.gz UPNAKMGZXIRSNP-UFYCRDLUSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418701416 500309466 /nfs/dbraw/zinc/30/94/66/500309466.db2.gz GGYQOPLZRFZDJF-RTBURBONSA-N 2 1 368.525 3.066 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430935273 500309547 /nfs/dbraw/zinc/30/95/47/500309547.db2.gz SNKZSPUHYIOWKI-QGZVFWFLSA-N 2 1 353.466 3.349 20 0 FGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884056 500310113 /nfs/dbraw/zinc/31/01/13/500310113.db2.gz RNHZPLHZZFXWIG-LEWJYISDSA-N 2 1 367.493 3.454 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422893643 500312037 /nfs/dbraw/zinc/31/20/37/500312037.db2.gz QVSQRZGVQXGPDX-BHDDXSALSA-N 2 1 359.558 3.418 20 0 FGADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422937298 500319845 /nfs/dbraw/zinc/31/98/45/500319845.db2.gz JJNCKJWCHJSDDD-UWJYYQICSA-N 2 1 353.510 3.265 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418768409 500320518 /nfs/dbraw/zinc/32/05/18/500320518.db2.gz MBHMTWDGFKYZRI-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431013846 500323153 /nfs/dbraw/zinc/32/31/53/500323153.db2.gz KMBLSPKOWPNSHY-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000431014853 500323345 /nfs/dbraw/zinc/32/33/45/500323345.db2.gz QBPUGNKAMVCPPT-OBZTVWKBSA-N 2 1 352.482 3.279 20 0 FGADMP CCc1ccc([C@H](COC)[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422990343 500327582 /nfs/dbraw/zinc/32/75/82/500327582.db2.gz BSLAGQWSGFAHNF-LVCYWYKZSA-N 2 1 356.466 3.375 20 0 FGADMP CCc1ccc([C@H](COC)[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422990344 500327803 /nfs/dbraw/zinc/32/78/03/500327803.db2.gz BSLAGQWSGFAHNF-WFXMLNOXSA-N 2 1 356.466 3.375 20 0 FGADMP CC[C@H]([NH2+]CCc1cn2cc(Br)cc(C)c2n1)[C@@H]1CCC[NH2+]1 ZINC000423040325 500334437 /nfs/dbraw/zinc/33/44/37/500334437.db2.gz TWQQRRMZWCODSG-HOTGVXAUSA-N 2 1 365.319 3.068 20 0 FGADMP FC1(c2cccc(Cl)c2)CC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423093801 500341346 /nfs/dbraw/zinc/34/13/46/500341346.db2.gz IMGLVZOIEDPMIS-MCCVISLTSA-N 2 1 352.881 3.414 20 0 FGADMP C[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127646 500345616 /nfs/dbraw/zinc/34/56/16/500345616.db2.gz CGTQQNWQFLFDLL-FCEUIQTBSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1Br ZINC000423158817 500350017 /nfs/dbraw/zinc/35/00/17/500350017.db2.gz DLTJMAWPWVLYCW-OIISXLGYSA-N 2 1 353.304 3.004 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1Br ZINC000423158816 500350059 /nfs/dbraw/zinc/35/00/59/500350059.db2.gz DLTJMAWPWVLYCW-DJIMGWMZSA-N 2 1 353.304 3.004 20 0 FGADMP Brc1cccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423236888 500357451 /nfs/dbraw/zinc/35/74/51/500357451.db2.gz OZSOLMDVOOLYLV-IAGOWNOFSA-N 2 1 353.304 3.258 20 0 FGADMP CC[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000423271098 500360583 /nfs/dbraw/zinc/36/05/83/500360583.db2.gz XEWYUQIGBQYGRL-RTBURBONSA-N 2 1 361.530 3.102 20 0 FGADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423288531 500361970 /nfs/dbraw/zinc/36/19/70/500361970.db2.gz SOKSAABZGBVAPK-MRXNPFEDSA-N 2 1 367.559 3.029 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)c1 ZINC000423356916 500366570 /nfs/dbraw/zinc/36/65/70/500366570.db2.gz RIXZALDXSSWSTQ-HXUWFJFHSA-N 2 1 353.510 3.481 20 0 FGADMP C[C@H](c1ccc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1)[NH+]1CCOCC1 ZINC000423373573 500368454 /nfs/dbraw/zinc/36/84/54/500368454.db2.gz HJXNEGITFKOPSU-JKSUJKDBSA-N 2 1 353.466 3.352 20 0 FGADMP C[C@@H](c1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000423389455 500369381 /nfs/dbraw/zinc/36/93/81/500369381.db2.gz VATKGFULHVFYSM-OXJNMPFZSA-N 2 1 359.514 3.316 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(F)c(I)c1 ZINC000423394055 500370450 /nfs/dbraw/zinc/37/04/50/500370450.db2.gz ZJQVPPWJADRQLP-CKYFFXLPSA-N 2 1 362.230 3.221 20 0 FGADMP C[C@H](NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000423445793 500375434 /nfs/dbraw/zinc/37/54/34/500375434.db2.gz YQSBCLNBLOEIEH-HTAPYJJXSA-N 2 1 353.510 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277636 500376983 /nfs/dbraw/zinc/37/69/83/500376983.db2.gz YNXHYJFCEGMIJQ-MOPGFXCFSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000423509036 500380274 /nfs/dbraw/zinc/38/02/74/500380274.db2.gz LEMUHVUBDZBRSD-FHERZECASA-N 2 1 366.347 3.316 20 0 FGADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)s1 ZINC000423512224 500381332 /nfs/dbraw/zinc/38/13/32/500381332.db2.gz OKCHJSPCEIPEOX-HSBZDZAISA-N 2 1 372.376 3.378 20 0 FGADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000423510238 500380682 /nfs/dbraw/zinc/38/06/82/500380682.db2.gz MJRYOQTZDUDBCN-UHYCVJNDSA-N 2 1 372.513 3.037 20 0 FGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000423530996 500382950 /nfs/dbraw/zinc/38/29/50/500382950.db2.gz SBBCXQVUGFQENT-DAFVDEOWSA-N 2 1 363.571 3.445 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423549982 500384303 /nfs/dbraw/zinc/38/43/03/500384303.db2.gz NNLHJZWNWGGFIB-LLFXUEIYSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423549982 500384304 /nfs/dbraw/zinc/38/43/04/500384304.db2.gz NNLHJZWNWGGFIB-LLFXUEIYSA-N 2 1 353.554 3.407 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000431572949 500393817 /nfs/dbraw/zinc/39/38/17/500393817.db2.gz YWVAYRMHUIOONK-ICSRJNTNSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000423768924 500400193 /nfs/dbraw/zinc/40/01/93/500400193.db2.gz BQCXAGNMEOGFOH-OALUTQOASA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423775577 500400792 /nfs/dbraw/zinc/40/07/92/500400792.db2.gz MJUPIAKBWXHONP-ROUUACIJSA-N 2 1 351.494 3.443 20 0 FGADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810860 500404518 /nfs/dbraw/zinc/40/45/18/500404518.db2.gz NAGDANLXGOWQBE-FUHWJXTLSA-N 2 1 355.885 3.119 20 0 FGADMP C[NH2+]CCCC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810860 500404520 /nfs/dbraw/zinc/40/45/20/500404520.db2.gz NAGDANLXGOWQBE-FUHWJXTLSA-N 2 1 355.885 3.119 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431830264 500430348 /nfs/dbraw/zinc/43/03/48/500430348.db2.gz JHKPEYRKIMGKRU-STZQEDGTSA-N 2 1 365.521 3.316 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000573442793 506195051 /nfs/dbraw/zinc/19/50/51/506195051.db2.gz QNXPHPFTOOTCHP-MBDNFAEBSA-N 2 1 369.553 3.407 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420309934 500438811 /nfs/dbraw/zinc/43/88/11/500438811.db2.gz LTGYXHATPZIUCV-MRXNPFEDSA-N 2 1 355.482 3.281 20 0 FGADMP C[C@@H]1SCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000420309900 500439219 /nfs/dbraw/zinc/43/92/19/500439219.db2.gz UIVMUUNRERRXKB-LRGNLBRXSA-N 2 1 356.535 3.096 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420309931 500439405 /nfs/dbraw/zinc/43/94/05/500439405.db2.gz LTGYXHATPZIUCV-INIZCTEOSA-N 2 1 355.482 3.281 20 0 FGADMP C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1(C[NH3+])CCC1 ZINC000420320659 500440414 /nfs/dbraw/zinc/44/04/14/500440414.db2.gz BOEIIUISJNQSQU-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C1(C[NH3+])CCC1 ZINC000420320659 500440420 /nfs/dbraw/zinc/44/04/20/500440420.db2.gz BOEIIUISJNQSQU-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431903430 500441571 /nfs/dbraw/zinc/44/15/71/500441571.db2.gz UBAKNSZTEVHXOJ-NRFANRHFSA-N 2 1 372.557 3.027 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431903430 500441572 /nfs/dbraw/zinc/44/15/72/500441572.db2.gz UBAKNSZTEVHXOJ-NRFANRHFSA-N 2 1 372.557 3.027 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431903430 500441573 /nfs/dbraw/zinc/44/15/73/500441573.db2.gz UBAKNSZTEVHXOJ-NRFANRHFSA-N 2 1 372.557 3.027 20 0 FGADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N(Cc1ccccc1)c1ccccc1 ZINC000420334762 500444088 /nfs/dbraw/zinc/44/40/88/500444088.db2.gz LEDKMOLUIQPJDC-OYRHEFFESA-N 2 1 363.505 3.151 20 0 FGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000420366264 500448368 /nfs/dbraw/zinc/44/83/68/500448368.db2.gz LYVRBUHYYSYNQZ-MRXNPFEDSA-N 2 1 368.319 3.275 20 0 FGADMP C[C@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420369054 500449219 /nfs/dbraw/zinc/44/92/19/500449219.db2.gz BIDFPKNSLWIAGI-GHTZIAJQSA-N 2 1 365.521 3.151 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420369054 500449223 /nfs/dbraw/zinc/44/92/23/500449223.db2.gz BIDFPKNSLWIAGI-GHTZIAJQSA-N 2 1 365.521 3.151 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4C[C@@H]([NH3+])CCO4)CC3)cs2)o1 ZINC000420389956 500453465 /nfs/dbraw/zinc/45/34/65/500453465.db2.gz MSZTUVBZHUTQDA-MAUKXSAKSA-N 2 1 361.511 3.430 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402052 500455620 /nfs/dbraw/zinc/45/56/20/500455620.db2.gz PXXMTFWMFKLBGZ-HSQYWUDLSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc2c(c1)CCCC2 ZINC000420402052 500455623 /nfs/dbraw/zinc/45/56/23/500455623.db2.gz PXXMTFWMFKLBGZ-HSQYWUDLSA-N 2 1 369.553 3.207 20 0 FGADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270826 500479308 /nfs/dbraw/zinc/47/93/08/500479308.db2.gz OFWVCVZXBXEXFE-OQEHDIDLSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1)c1ccccc1 ZINC000424270826 500479310 /nfs/dbraw/zinc/47/93/10/500479310.db2.gz OFWVCVZXBXEXFE-OQEHDIDLSA-N 2 1 360.542 3.489 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323405 500486683 /nfs/dbraw/zinc/48/66/83/500486683.db2.gz VYPNFHAYJUEYSH-MOPGFXCFSA-N 2 1 359.539 3.109 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000424426976 500502343 /nfs/dbraw/zinc/50/23/43/500502343.db2.gz BKWKKXCCAQHQJG-LJQANCHMSA-N 2 1 366.509 3.140 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(O)c(C)c3C)CC2)CC1 ZINC000570582314 506199412 /nfs/dbraw/zinc/19/94/12/506199412.db2.gz SUTPWJZQTRYQBK-UHFFFAOYSA-N 2 1 373.541 3.452 20 0 FGADMP C[C@H]1C[N@@H+](CCCNCc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349107 500503346 /nfs/dbraw/zinc/50/33/46/500503346.db2.gz VYBIXNUAFARXLE-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@H]1CN(CCC[NH2+]Cc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349107 500503348 /nfs/dbraw/zinc/50/33/48/500503348.db2.gz VYBIXNUAFARXLE-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349107 500503351 /nfs/dbraw/zinc/50/33/51/500503351.db2.gz VYBIXNUAFARXLE-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3ccsc3)s2)CCCO1 ZINC000432349107 500503354 /nfs/dbraw/zinc/50/33/54/500503354.db2.gz VYBIXNUAFARXLE-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000424432526 500504414 /nfs/dbraw/zinc/50/44/14/500504414.db2.gz HSCDPNNFBAKEBM-UHFFFAOYSA-N 2 1 354.498 3.486 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(OC(F)F)cc1C ZINC000432359867 500505009 /nfs/dbraw/zinc/50/50/09/500505009.db2.gz UJMHWSOMZZGSDG-INIZCTEOSA-N 2 1 356.457 3.495 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(OC(F)F)cc1C ZINC000432359867 500505012 /nfs/dbraw/zinc/50/50/12/500505012.db2.gz UJMHWSOMZZGSDG-INIZCTEOSA-N 2 1 356.457 3.495 20 0 FGADMP CCOc1cccc(CNCCC[N@H+]2CCCO[C@@H](C)C2)c1OC(F)F ZINC000432370508 500506275 /nfs/dbraw/zinc/50/62/75/500506275.db2.gz UZDUYFXZQWVSHG-HNNXBMFYSA-N 2 1 372.456 3.277 20 0 FGADMP C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827064 500510462 /nfs/dbraw/zinc/51/04/62/500510462.db2.gz RARHVCPLTBZCON-IDGBJLRDSA-N 2 1 372.557 3.069 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000428473235 500514941 /nfs/dbraw/zinc/51/49/41/500514941.db2.gz LWRWZPVTGBAXNI-BJESRGMDSA-N 2 1 372.553 3.462 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432428912 500515346 /nfs/dbraw/zinc/51/53/46/500515346.db2.gz OBBWOCAWUYKJPN-YJBOKZPZSA-N 2 1 350.528 3.323 20 0 FGADMP c1csc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000420908299 500527427 /nfs/dbraw/zinc/52/74/27/500527427.db2.gz WMJZUJJSZZDFRX-IBGZPJMESA-N 2 1 357.523 3.355 20 0 FGADMP c1csc([C@H]2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000420908299 500527428 /nfs/dbraw/zinc/52/74/28/500527428.db2.gz WMJZUJJSZZDFRX-IBGZPJMESA-N 2 1 357.523 3.355 20 0 FGADMP C[C@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420922457 500531118 /nfs/dbraw/zinc/53/11/18/500531118.db2.gz OFTDKYASIPDDJH-PGRDOPGGSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420922457 500531119 /nfs/dbraw/zinc/53/11/19/500531119.db2.gz OFTDKYASIPDDJH-PGRDOPGGSA-N 2 1 351.494 3.497 20 0 FGADMP c1ccc(OC[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420950518 500539719 /nfs/dbraw/zinc/53/97/19/500539719.db2.gz RKMRZTMFUXUQNA-QFIPXVFZSA-N 2 1 366.505 3.420 20 0 FGADMP c1ccc(OC[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420950518 500539722 /nfs/dbraw/zinc/53/97/22/500539722.db2.gz RKMRZTMFUXUQNA-QFIPXVFZSA-N 2 1 366.505 3.420 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSc3ccc(F)cc3)CC2)CC1 ZINC000420980774 500546478 /nfs/dbraw/zinc/54/64/78/500546478.db2.gz LXRMTOUVMXXZIK-UHFFFAOYSA-N 2 1 365.562 3.410 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3ccccc3C)CC2)CC1 ZINC000420977509 500546771 /nfs/dbraw/zinc/54/67/71/500546771.db2.gz IIMUSKRPJKCYNM-UHFFFAOYSA-N 2 1 359.558 3.256 20 0 FGADMP C[N@@H+](CCC1CCOCC1)[C@@H]1CCC[NH+](CCC2CCOCC2)CC1 ZINC000432785226 500563563 /nfs/dbraw/zinc/56/35/63/500563563.db2.gz SDUHHBZYQNESPN-OAQYLSRUSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC1CCOCC1)[C@@H]1CCC[N@H+](CCC2CCOCC2)CC1 ZINC000432785226 500563565 /nfs/dbraw/zinc/56/35/65/500563565.db2.gz SDUHHBZYQNESPN-OAQYLSRUSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC1CCOCC1)[C@@H]1CCC[N@@H+](CCC2CCOCC2)CC1 ZINC000432785226 500563566 /nfs/dbraw/zinc/56/35/66/500563566.db2.gz SDUHHBZYQNESPN-OAQYLSRUSA-N 2 1 352.563 3.406 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637538 506203639 /nfs/dbraw/zinc/20/36/39/506203639.db2.gz KVTBYTBGMADFRM-INIZCTEOSA-N 2 1 372.431 3.162 20 0 FGADMP COc1cccc(C2([NH2+]CCCCn3cc[nH+]c3C)CCOCC2)c1F ZINC000447353819 500595434 /nfs/dbraw/zinc/59/54/34/500595434.db2.gz HLCGMPKZRCLTJT-UHFFFAOYSA-N 2 1 361.461 3.415 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442594247 500602530 /nfs/dbraw/zinc/60/25/30/500602530.db2.gz LQQQQIJKNQMIMQ-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000442757018 500620344 /nfs/dbraw/zinc/62/03/44/500620344.db2.gz FUCSWQCYGFPCNL-ZDEQEGDKSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1Cl ZINC000442757018 500620347 /nfs/dbraw/zinc/62/03/47/500620347.db2.gz FUCSWQCYGFPCNL-ZDEQEGDKSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762153 500621841 /nfs/dbraw/zinc/62/18/41/500621841.db2.gz QEMBJILASUOMCI-IAGOWNOFSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771995 500624059 /nfs/dbraw/zinc/62/40/59/500624059.db2.gz ULLMLUYAEIXIID-JLHGSKIFSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771995 500624060 /nfs/dbraw/zinc/62/40/60/500624060.db2.gz ULLMLUYAEIXIID-JLHGSKIFSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782761 500625188 /nfs/dbraw/zinc/62/51/88/500625188.db2.gz RZUFBYMJQIIFHX-XFQAVAEZSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782761 500625191 /nfs/dbraw/zinc/62/51/91/500625191.db2.gz RZUFBYMJQIIFHX-XFQAVAEZSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000442865783 500636320 /nfs/dbraw/zinc/63/63/20/500636320.db2.gz GTTDUEBXQYCIRT-HNNXBMFYSA-N 2 1 373.463 3.304 20 0 FGADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000433179034 500639786 /nfs/dbraw/zinc/63/97/86/500639786.db2.gz XHPJWDMLBVBBFF-OALUTQOASA-N 2 1 371.550 3.195 20 0 FGADMP CC(C)[C@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000433179034 500639789 /nfs/dbraw/zinc/63/97/89/500639789.db2.gz XHPJWDMLBVBBFF-OALUTQOASA-N 2 1 371.550 3.195 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)c[nH]2)C1 ZINC000442929540 500649058 /nfs/dbraw/zinc/64/90/58/500649058.db2.gz RMEHDEARVUUFRP-ZDUSSCGKSA-N 2 1 363.303 3.400 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570843 500662124 /nfs/dbraw/zinc/66/21/24/500662124.db2.gz RDKIOPZXAMHJDJ-JCGIZDLHSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570843 500662127 /nfs/dbraw/zinc/66/21/27/500662127.db2.gz RDKIOPZXAMHJDJ-JCGIZDLHSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1C ZINC000437570843 500662129 /nfs/dbraw/zinc/66/21/29/500662129.db2.gz RDKIOPZXAMHJDJ-JCGIZDLHSA-N 2 1 358.448 3.413 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061202 500671273 /nfs/dbraw/zinc/67/12/73/500671273.db2.gz RDLHVWLPSWMXCB-KGLIPLIRSA-N 2 1 353.894 3.045 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000443065374 500672669 /nfs/dbraw/zinc/67/26/69/500672669.db2.gz ZRWDMMLYMNDXQJ-IBGZPJMESA-N 2 1 351.494 3.277 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437662498 500678476 /nfs/dbraw/zinc/67/84/76/500678476.db2.gz NBZKKTGQBBNHHF-IBGZPJMESA-N 2 1 364.578 3.346 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447982216 500700954 /nfs/dbraw/zinc/70/09/54/500700954.db2.gz JJWBSPPPHYOIHF-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000447982216 500700955 /nfs/dbraw/zinc/70/09/55/500700955.db2.gz JJWBSPPPHYOIHF-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000447982216 500700959 /nfs/dbraw/zinc/70/09/59/500700959.db2.gz JJWBSPPPHYOIHF-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000448034283 500710222 /nfs/dbraw/zinc/71/02/22/500710222.db2.gz HCKBBOLWBQLTTK-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000438051471 500731708 /nfs/dbraw/zinc/73/17/08/500731708.db2.gz QWQWSTPOKCDBSC-FUHWJXTLSA-N 2 1 362.518 3.011 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000438145602 500745234 /nfs/dbraw/zinc/74/52/34/500745234.db2.gz NMYXSYSALBNBOX-WOJBJXKFSA-N 2 1 362.562 3.053 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000443639626 500747863 /nfs/dbraw/zinc/74/78/63/500747863.db2.gz GVEIIALLUFNWCR-APWZRJJASA-N 2 1 369.475 3.472 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186653 500751919 /nfs/dbraw/zinc/75/19/19/500751919.db2.gz HIORQGITQGQRBR-GGAORHGYSA-N 2 1 368.521 3.318 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186653 500751922 /nfs/dbraw/zinc/75/19/22/500751922.db2.gz HIORQGITQGQRBR-GGAORHGYSA-N 2 1 368.521 3.318 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000438327298 500770009 /nfs/dbraw/zinc/77/00/09/500770009.db2.gz LNUFYWKQQPZGQZ-UYAOXDASSA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327298 500770012 /nfs/dbraw/zinc/77/00/12/500770012.db2.gz LNUFYWKQQPZGQZ-UYAOXDASSA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327298 500770013 /nfs/dbraw/zinc/77/00/13/500770013.db2.gz LNUFYWKQQPZGQZ-UYAOXDASSA-N 2 1 364.578 3.299 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000582424618 506218771 /nfs/dbraw/zinc/21/87/71/506218771.db2.gz RHFIFMSWTUOKHF-UHFFFAOYSA-N 2 1 354.285 3.135 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000438861905 500828326 /nfs/dbraw/zinc/82/83/26/500828326.db2.gz STCQRKLICDMOCE-HXUWFJFHSA-N 2 1 369.513 3.182 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000434446357 500843979 /nfs/dbraw/zinc/84/39/79/500843979.db2.gz TVBIEHITMSBLCS-RXVVDRJESA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446357 500843982 /nfs/dbraw/zinc/84/39/82/500843982.db2.gz TVBIEHITMSBLCS-RXVVDRJESA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000434446357 500843986 /nfs/dbraw/zinc/84/39/86/500843986.db2.gz TVBIEHITMSBLCS-RXVVDRJESA-N 2 1 373.516 3.171 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)CCN(C)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000434746829 500887903 /nfs/dbraw/zinc/88/79/03/500887903.db2.gz ONTJEUQKJPCMSO-SIKLNZKXSA-N 2 1 369.557 3.261 20 0 FGADMP O=C(C[N@H+]1CCCC12CCC2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000444780373 500899265 /nfs/dbraw/zinc/89/92/65/500899265.db2.gz FACNMNRTOTZRFA-UHFFFAOYSA-N 2 1 359.539 3.192 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000449023046 500901433 /nfs/dbraw/zinc/90/14/33/500901433.db2.gz MULDGKWGSFUDNN-MRXNPFEDSA-N 2 1 374.529 3.161 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449047544 500910496 /nfs/dbraw/zinc/91/04/96/500910496.db2.gz QXDZAERUHHJIHD-RTBURBONSA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449047544 500910499 /nfs/dbraw/zinc/91/04/99/500910499.db2.gz QXDZAERUHHJIHD-RTBURBONSA-N 2 1 359.514 3.330 20 0 FGADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134561 500932640 /nfs/dbraw/zinc/93/26/40/500932640.db2.gz KCOXBQUFIVIKRB-FQEVSTJZSA-N 2 1 365.521 3.339 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc2ccccc21 ZINC000449155341 500936589 /nfs/dbraw/zinc/93/65/89/500936589.db2.gz BFGNPHGJYSSQTO-KRWDZBQOSA-N 2 1 354.494 3.439 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000449195102 500945790 /nfs/dbraw/zinc/94/57/90/500945790.db2.gz WBBAHYASPTXVEZ-SFTDATJTSA-N 2 1 354.494 3.316 20 0 FGADMP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000449218125 500950293 /nfs/dbraw/zinc/95/02/93/500950293.db2.gz FOUCHDYCMOZFQO-LQWHRVPQSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000445247391 500959884 /nfs/dbraw/zinc/95/98/84/500959884.db2.gz IFJQNZIEGADGBJ-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247391 500959888 /nfs/dbraw/zinc/95/98/88/500959888.db2.gz IFJQNZIEGADGBJ-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247391 500959891 /nfs/dbraw/zinc/95/98/91/500959891.db2.gz IFJQNZIEGADGBJ-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@@H]12 ZINC000435386612 500964933 /nfs/dbraw/zinc/96/49/33/500964933.db2.gz XPHKXPOJYSIEJY-CEMLEFRQSA-N 2 1 373.504 3.163 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435385371 500965011 /nfs/dbraw/zinc/96/50/11/500965011.db2.gz RGSDCRKNFCTCJL-IBGZPJMESA-N 2 1 364.493 3.263 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435385371 500965014 /nfs/dbraw/zinc/96/50/14/500965014.db2.gz RGSDCRKNFCTCJL-IBGZPJMESA-N 3 1 364.493 3.263 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000435386719 500965346 /nfs/dbraw/zinc/96/53/46/500965346.db2.gz VJKODEARUBKZSO-DLBZAZTESA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000435386719 500965347 /nfs/dbraw/zinc/96/53/47/500965347.db2.gz VJKODEARUBKZSO-DLBZAZTESA-N 2 1 355.482 3.228 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449283367 500965642 /nfs/dbraw/zinc/96/56/42/500965642.db2.gz LMOLOPMQHQPPQT-RTWAWAEBSA-N 2 1 373.585 3.173 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CCC[C@H](C[NH3+])C4)cc3)nc12 ZINC000435394196 500967493 /nfs/dbraw/zinc/96/74/93/500967493.db2.gz MZSKHOXTQOMALH-LJQANCHMSA-N 2 1 364.493 3.392 20 0 FGADMP Cc1cc(C)c(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435435969 500975887 /nfs/dbraw/zinc/97/58/87/500975887.db2.gz CUOIOIGJPXUPKD-HXUWFJFHSA-N 2 1 352.526 3.490 20 0 FGADMP Cc1cc(C)c(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1C ZINC000435435969 500975890 /nfs/dbraw/zinc/97/58/90/500975890.db2.gz CUOIOIGJPXUPKD-HXUWFJFHSA-N 2 1 352.526 3.490 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440159847 500982219 /nfs/dbraw/zinc/98/22/19/500982219.db2.gz LGNLVHGKMUWVQA-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1ccccc1F ZINC000435614167 501002211 /nfs/dbraw/zinc/00/22/11/501002211.db2.gz DRSNDOSVNCIZGU-GOSISDBHSA-N 2 1 370.472 3.194 20 0 FGADMP O=C(CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1ccccc1F ZINC000435614167 501002214 /nfs/dbraw/zinc/00/22/14/501002214.db2.gz DRSNDOSVNCIZGU-GOSISDBHSA-N 2 1 370.472 3.194 20 0 FGADMP CC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435615943 501002506 /nfs/dbraw/zinc/00/25/06/501002506.db2.gz JHIPRFZQWJQBGA-IBGZPJMESA-N 2 1 373.541 3.088 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435615943 501002509 /nfs/dbraw/zinc/00/25/09/501002509.db2.gz JHIPRFZQWJQBGA-IBGZPJMESA-N 2 1 373.541 3.088 20 0 FGADMP O=C(CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1cccc(F)c1 ZINC000435619300 501003271 /nfs/dbraw/zinc/00/32/71/501003271.db2.gz UDHZITXFJJNIIC-HXUWFJFHSA-N 2 1 370.472 3.194 20 0 FGADMP O=C(CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1cccc(F)c1 ZINC000435619300 501003273 /nfs/dbraw/zinc/00/32/73/501003273.db2.gz UDHZITXFJJNIIC-HXUWFJFHSA-N 2 1 370.472 3.194 20 0 FGADMP COC[C@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000449482365 501013219 /nfs/dbraw/zinc/01/32/19/501013219.db2.gz YDZAZMMSGLVKCH-AWEZNQCLSA-N 2 1 353.919 3.378 20 0 FGADMP COc1ccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696705 501013447 /nfs/dbraw/zinc/01/34/47/501013447.db2.gz VFEZXTGNPFUMBI-GOSISDBHSA-N 2 1 373.522 3.175 20 0 FGADMP COc1ccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435696705 501013450 /nfs/dbraw/zinc/01/34/50/501013450.db2.gz VFEZXTGNPFUMBI-GOSISDBHSA-N 2 1 373.522 3.175 20 0 FGADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NC1CCCC1 ZINC000435698535 501013971 /nfs/dbraw/zinc/01/39/71/501013971.db2.gz WXNQFRHLGNFYLO-SFHVURJKSA-N 2 1 361.555 3.141 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000449487085 501015190 /nfs/dbraw/zinc/01/51/90/501015190.db2.gz WPQWAZMKNOVSDM-FUHWJXTLSA-N 2 1 364.530 3.355 20 0 FGADMP CCCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502040 501019272 /nfs/dbraw/zinc/01/92/72/501019272.db2.gz OINQPYLTXRIINE-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502040 501019274 /nfs/dbraw/zinc/01/92/74/501019274.db2.gz OINQPYLTXRIINE-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502040 501019276 /nfs/dbraw/zinc/01/92/76/501019276.db2.gz OINQPYLTXRIINE-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)cc1 ZINC000449502040 501019277 /nfs/dbraw/zinc/01/92/77/501019277.db2.gz OINQPYLTXRIINE-HSZRJFAPSA-N 2 1 371.569 3.405 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000449550154 501030624 /nfs/dbraw/zinc/03/06/24/501030624.db2.gz CJKKCSKMVBEBNP-KCZVDYSFSA-N 2 1 371.569 3.202 20 0 FGADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000445805027 501034803 /nfs/dbraw/zinc/03/48/03/501034803.db2.gz FOPAVXPAQGPYGJ-CQSZACIVSA-N 2 1 371.294 3.385 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000445805027 501034805 /nfs/dbraw/zinc/03/48/05/501034805.db2.gz FOPAVXPAQGPYGJ-CQSZACIVSA-N 2 1 371.294 3.385 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435894632 501042812 /nfs/dbraw/zinc/04/28/12/501042812.db2.gz WKPVYCDZDSRVPT-QFBILLFUSA-N 2 1 363.527 3.044 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000440778844 501047562 /nfs/dbraw/zinc/04/75/62/501047562.db2.gz BUQPCANFDUYZCB-CTWPCTMYSA-N 2 1 352.567 3.061 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000449728182 501069848 /nfs/dbraw/zinc/06/98/48/501069848.db2.gz UBEMGTNWMMISDS-WIYYLYMNSA-N 2 1 351.494 3.176 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1)[C@@H](CO)C(C)(C)C ZINC000441064996 501082425 /nfs/dbraw/zinc/08/24/25/501082425.db2.gz IXPODNOKLGWNJW-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)[C@@H](CO)C(C)(C)C)cc1)[C@H](CO)C(C)(C)C ZINC000441064996 501082428 /nfs/dbraw/zinc/08/24/28/501082428.db2.gz IXPODNOKLGWNJW-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP C[NH+](Cc1ccc(C[N@@H+](C)[C@@H](CO)C(C)(C)C)cc1)[C@H](CO)C(C)(C)C ZINC000441064996 501082429 /nfs/dbraw/zinc/08/24/29/501082429.db2.gz IXPODNOKLGWNJW-BGYRXZFFSA-N 2 1 364.574 3.364 20 0 FGADMP Cn1ccnc1[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449772261 501082943 /nfs/dbraw/zinc/08/29/43/501082943.db2.gz KSOHLMFRTFPGRH-UXHICEINSA-N 2 1 370.541 3.388 20 0 FGADMP CN(c1ccccc1CNCC[N@H+]1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000449783559 501085705 /nfs/dbraw/zinc/08/57/05/501085705.db2.gz PXUMJFIHAHIHOL-UHFFFAOYSA-N 2 1 358.574 3.181 20 0 FGADMP CN(c1ccccc1C[NH2+]CCN1CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000449783559 501085707 /nfs/dbraw/zinc/08/57/07/501085707.db2.gz PXUMJFIHAHIHOL-UHFFFAOYSA-N 2 1 358.574 3.181 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000446589537 501138376 /nfs/dbraw/zinc/13/83/76/501138376.db2.gz KWRYGIUHXMDVDZ-IBGZPJMESA-N 2 1 358.530 3.177 20 0 FGADMP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000446611697 501141728 /nfs/dbraw/zinc/14/17/28/501141728.db2.gz ACGGRCVUJVGGHA-AZUAARDMSA-N 2 1 372.557 3.338 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441449259 501141796 /nfs/dbraw/zinc/14/17/96/501141796.db2.gz IWGZCGFEKLMUAL-RBBKRZOGSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441449259 501141799 /nfs/dbraw/zinc/14/17/99/501141799.db2.gz IWGZCGFEKLMUAL-RBBKRZOGSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000441449259 501141802 /nfs/dbraw/zinc/14/18/02/501141802.db2.gz IWGZCGFEKLMUAL-RBBKRZOGSA-N 2 1 369.553 3.294 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000450531974 501146943 /nfs/dbraw/zinc/14/69/43/501146943.db2.gz VSZKBQFGOXXJLP-DLBZAZTESA-N 2 1 355.482 3.321 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818270 501168164 /nfs/dbraw/zinc/16/81/64/501168164.db2.gz MURFKZOSXBINEK-SFTDATJTSA-N 2 1 357.542 3.403 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC34CCC(CC3)C4)CC2)C[C@H](C)O1 ZINC000450649146 501176206 /nfs/dbraw/zinc/17/62/06/501176206.db2.gz KWKRBJSHHABQSR-DENAFPEJSA-N 2 1 350.547 3.157 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450649801 501176763 /nfs/dbraw/zinc/17/67/63/501176763.db2.gz MFIDUPNFZVAHHP-ZACQAIPSSA-N 2 1 360.489 3.012 20 0 FGADMP FC1(F)CC[C@@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980829 501236665 /nfs/dbraw/zinc/23/66/65/501236665.db2.gz GSTODIWLSJWQMV-UXHICEINSA-N 2 1 363.496 3.314 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000453072545 501263434 /nfs/dbraw/zinc/26/34/34/501263434.db2.gz DGUVDHAKOLSEEE-LJQANCHMSA-N 2 1 353.510 3.415 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453097635 501268279 /nfs/dbraw/zinc/26/82/79/501268279.db2.gz USWPXDQVIYQCTO-YPAWHYETSA-N 2 1 355.526 3.030 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453102651 501269460 /nfs/dbraw/zinc/26/94/60/501269460.db2.gz YGHNIJOYGVXTMB-GPVXHPMSSA-N 2 1 369.553 3.467 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453116349 501272310 /nfs/dbraw/zinc/27/23/10/501272310.db2.gz WBDJJSSZHAZDFB-MSOLQXFVSA-N 2 1 368.525 3.239 20 0 FGADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453126531 501274811 /nfs/dbraw/zinc/27/48/11/501274811.db2.gz SQARMHWETBJXHQ-YPAWHYETSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453126531 501274812 /nfs/dbraw/zinc/27/48/12/501274812.db2.gz SQARMHWETBJXHQ-YPAWHYETSA-N 2 1 371.569 3.130 20 0 FGADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453126531 501274813 /nfs/dbraw/zinc/27/48/13/501274813.db2.gz SQARMHWETBJXHQ-YPAWHYETSA-N 2 1 371.569 3.130 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453156871 501281044 /nfs/dbraw/zinc/28/10/44/501281044.db2.gz HXOUHMFYFVGOEM-VAMGGRTRSA-N 2 1 354.498 3.343 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCn4ccnc43)cc2)C[C@H]1C ZINC000453160799 501282100 /nfs/dbraw/zinc/28/21/00/501282100.db2.gz IANIGVVBJCDPIG-LVCYWYKZSA-N 2 1 368.525 3.127 20 0 FGADMP CN(C)c1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453167457 501283029 /nfs/dbraw/zinc/28/30/29/501283029.db2.gz RPUXVDFAFJUAEI-PWRODBHTSA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453167457 501283031 /nfs/dbraw/zinc/28/30/31/501283031.db2.gz RPUXVDFAFJUAEI-PWRODBHTSA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453167457 501283034 /nfs/dbraw/zinc/28/30/34/501283034.db2.gz RPUXVDFAFJUAEI-PWRODBHTSA-N 2 1 365.525 3.075 20 0 FGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453169619 501284188 /nfs/dbraw/zinc/28/41/88/501284188.db2.gz XVWHRGRLMSFKCC-XUVXKRRUSA-N 2 1 357.542 3.324 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(C)nn1C ZINC000453200462 501290017 /nfs/dbraw/zinc/29/00/17/501290017.db2.gz RGFYATDBSAJJFW-HMXCVIKNSA-N 2 1 368.525 3.270 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(C)nn1C ZINC000453200462 501290019 /nfs/dbraw/zinc/29/00/19/501290019.db2.gz RGFYATDBSAJJFW-HMXCVIKNSA-N 2 1 368.525 3.270 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)c1cccnc1 ZINC000453234377 501295738 /nfs/dbraw/zinc/29/57/38/501295738.db2.gz SGHYOGRHIVUWHO-WBADGQHESA-N 2 1 365.521 3.190 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000453287835 501308611 /nfs/dbraw/zinc/30/86/11/501308611.db2.gz OPVYVFPJKFRCQT-ZBFHGGJFSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000453287835 501308613 /nfs/dbraw/zinc/30/86/13/501308613.db2.gz OPVYVFPJKFRCQT-ZBFHGGJFSA-N 2 1 359.436 3.327 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525769 501312933 /nfs/dbraw/zinc/31/29/33/501312933.db2.gz BBAOARHUKPTIML-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525769 501312935 /nfs/dbraw/zinc/31/29/35/501312935.db2.gz BBAOARHUKPTIML-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525769 501312938 /nfs/dbraw/zinc/31/29/38/501312938.db2.gz BBAOARHUKPTIML-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525769 501312939 /nfs/dbraw/zinc/31/29/39/501312939.db2.gz BBAOARHUKPTIML-TZIWHRDSSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCc3ccccc3C)C2)CC1 ZINC000451534905 501316317 /nfs/dbraw/zinc/31/63/17/501316317.db2.gz OBGJBZOZIOSKEA-QFIPXVFZSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCc3ccccc3C)C2)CC1 ZINC000451534905 501316319 /nfs/dbraw/zinc/31/63/19/501316319.db2.gz OBGJBZOZIOSKEA-QFIPXVFZSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCc3ccccc3C)C2)CC1 ZINC000451534905 501316321 /nfs/dbraw/zinc/31/63/21/501316321.db2.gz OBGJBZOZIOSKEA-QFIPXVFZSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCc3ccccc3C)C2)CC1 ZINC000451534905 501316323 /nfs/dbraw/zinc/31/63/23/501316323.db2.gz OBGJBZOZIOSKEA-QFIPXVFZSA-N 2 1 371.569 3.194 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@@H+]1C ZINC000453344818 501317748 /nfs/dbraw/zinc/31/77/48/501317748.db2.gz JQLLAZJVNZTGSK-BMFZPTHFSA-N 2 1 360.452 3.215 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@H+]1C ZINC000453344818 501317751 /nfs/dbraw/zinc/31/77/51/501317751.db2.gz JQLLAZJVNZTGSK-BMFZPTHFSA-N 2 1 360.452 3.215 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000453369258 501321111 /nfs/dbraw/zinc/32/11/11/501321111.db2.gz SXLKOULKDVJOIQ-YLJYHZDGSA-N 2 1 374.504 3.238 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000453369258 501321113 /nfs/dbraw/zinc/32/11/13/501321113.db2.gz SXLKOULKDVJOIQ-YLJYHZDGSA-N 2 1 374.504 3.238 20 0 FGADMP C[S@](=O)C1(C[NH2+]C[C@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602656249 506247828 /nfs/dbraw/zinc/24/78/28/506247828.db2.gz NKVODTHHBGUKGJ-NLFFAJNJSA-N 2 1 362.583 3.426 20 0 FGADMP Cn1cc(C[N@H+]2CCCCC[C@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000453592708 501356422 /nfs/dbraw/zinc/35/64/22/501356422.db2.gz AZTABZRODFXICQ-QFIPXVFZSA-N 2 1 367.541 3.472 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157337 501381450 /nfs/dbraw/zinc/38/14/50/501381450.db2.gz UTYPTSMWCXETDG-TZIWHRDSSA-N 2 1 372.557 3.163 20 0 FGADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@@H+](C)Cc1ccccc1 ZINC000458194969 501389531 /nfs/dbraw/zinc/38/95/31/501389531.db2.gz BJNGKLKXKNZKLW-QGZVFWFLSA-N 2 1 359.539 3.159 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1F ZINC000458273192 501408476 /nfs/dbraw/zinc/40/84/76/501408476.db2.gz AIWXOKLXJUQXTR-GOSISDBHSA-N 2 1 363.477 3.112 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000458481508 501454576 /nfs/dbraw/zinc/45/45/76/501454576.db2.gz DADXPDMJFQDFKR-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458655027 501499652 /nfs/dbraw/zinc/49/96/52/501499652.db2.gz CDQPATXUPYIDEE-ZJOUEHCJSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000458729791 501517250 /nfs/dbraw/zinc/51/72/50/501517250.db2.gz JNUXPJGYOWAAGW-GOSISDBHSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459271214 501622567 /nfs/dbraw/zinc/62/25/67/501622567.db2.gz VWYGNNJCALUANY-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459271214 501622569 /nfs/dbraw/zinc/62/25/69/501622569.db2.gz VWYGNNJCALUANY-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459271214 501622570 /nfs/dbraw/zinc/62/25/70/501622570.db2.gz VWYGNNJCALUANY-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1=CC[N@@H+](C)CC1 ZINC000454801494 501633068 /nfs/dbraw/zinc/63/30/68/501633068.db2.gz DAWHYMGVKPKSOG-KRWDZBQOSA-N 2 1 364.578 3.179 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]1SC ZINC000459394765 501646212 /nfs/dbraw/zinc/64/62/12/501646212.db2.gz YBIXUHBNKBMIAZ-OWLYRPNTSA-N 2 1 354.585 3.459 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H]1SC ZINC000459394765 501646214 /nfs/dbraw/zinc/64/62/14/501646214.db2.gz YBIXUHBNKBMIAZ-OWLYRPNTSA-N 2 1 354.585 3.459 20 0 FGADMP Brc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459414104 501649637 /nfs/dbraw/zinc/64/96/37/501649637.db2.gz PPZDLPJMIXBDQV-HNNXBMFYSA-N 2 1 364.331 3.244 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2)C1CC1 ZINC000457170505 501661497 /nfs/dbraw/zinc/66/14/97/501661497.db2.gz QWKFBLDLIDSRCN-NFBKMPQASA-N 2 1 369.553 3.279 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2)C1CC1 ZINC000457170505 501661498 /nfs/dbraw/zinc/66/14/98/501661498.db2.gz QWKFBLDLIDSRCN-NFBKMPQASA-N 2 1 369.553 3.279 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1CC1 ZINC000457170505 501661499 /nfs/dbraw/zinc/66/14/99/501661499.db2.gz QWKFBLDLIDSRCN-NFBKMPQASA-N 2 1 369.553 3.279 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000459727712 501704991 /nfs/dbraw/zinc/70/49/91/501704991.db2.gz HGHHOFOCDBRZDO-INIZCTEOSA-N 2 1 363.933 3.266 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000459743213 501707281 /nfs/dbraw/zinc/70/72/81/501707281.db2.gz WXNMORDOTNHCDB-CQSZACIVSA-N 2 1 359.495 3.360 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000459798408 501715406 /nfs/dbraw/zinc/71/54/06/501715406.db2.gz XRXVHXMIGFZJBT-CYBMUJFWSA-N 2 1 369.303 3.057 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459796018 501715455 /nfs/dbraw/zinc/71/54/55/501715455.db2.gz VXSZYZTURDCXLP-QZTJIDSGSA-N 2 1 371.525 3.163 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474186088 501735757 /nfs/dbraw/zinc/73/57/57/501735757.db2.gz TXXWQIPSLFBMTB-LPOKXYRGSA-N 2 1 364.578 3.059 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000460168292 501747276 /nfs/dbraw/zinc/74/72/76/501747276.db2.gz JNNQQGQPXQEPKZ-AZUAARDMSA-N 2 1 360.546 3.243 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000485234104 501764463 /nfs/dbraw/zinc/76/44/63/501764463.db2.gz IYRPTQFRKJJTLF-FNAHDJPLSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000460278960 501778962 /nfs/dbraw/zinc/77/89/62/501778962.db2.gz DIQOETUVZOBUHM-GOSISDBHSA-N 2 1 357.542 3.062 20 0 FGADMP C[NH+](C)CC1(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CCCCC1 ZINC000460280849 501779820 /nfs/dbraw/zinc/77/98/20/501779820.db2.gz DQBXMXVFXGBMQK-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757933 501792469 /nfs/dbraw/zinc/79/24/69/501792469.db2.gz VYTCZLSGHHEZMY-DHIUTWEWSA-N 2 1 370.537 3.176 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000485390534 501806197 /nfs/dbraw/zinc/80/61/97/501806197.db2.gz QYHOBWIFNCWLBX-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP CN(C(=O)NCC[NH+](C)C1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470893025 501844347 /nfs/dbraw/zinc/84/43/47/501844347.db2.gz QCWBAQONXGAEPW-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCC[N@H+](C)C1CCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470893025 501844348 /nfs/dbraw/zinc/84/43/48/501844348.db2.gz QCWBAQONXGAEPW-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470893025 501844352 /nfs/dbraw/zinc/84/43/52/501844352.db2.gz QCWBAQONXGAEPW-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000478015647 501853898 /nfs/dbraw/zinc/85/38/98/501853898.db2.gz KGYGWGUVVRHUBU-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)CCSCC(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000467759944 501863478 /nfs/dbraw/zinc/86/34/78/501863478.db2.gz VXJJRRQBFGHMHI-UHFFFAOYSA-N 2 1 357.951 3.415 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474599109 501888732 /nfs/dbraw/zinc/88/87/32/501888732.db2.gz MRUIJTFRUOSONF-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000474599109 501888733 /nfs/dbraw/zinc/88/87/33/501888733.db2.gz MRUIJTFRUOSONF-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000485669294 501895375 /nfs/dbraw/zinc/89/53/75/501895375.db2.gz DYWSYDHJDJJGSR-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464092332 501897633 /nfs/dbraw/zinc/89/76/33/501897633.db2.gz BAXOIDYZWHLCPK-WOJBJXKFSA-N 2 1 357.542 3.101 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000467985602 501922168 /nfs/dbraw/zinc/92/21/68/501922168.db2.gz SUEIWOLSEIVDLA-KFWWJZLASA-N 2 1 350.532 3.186 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000467985602 501922173 /nfs/dbraw/zinc/92/21/73/501922173.db2.gz SUEIWOLSEIVDLA-KFWWJZLASA-N 2 1 350.532 3.186 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000471140669 501932558 /nfs/dbraw/zinc/93/25/58/501932558.db2.gz CIBYANYPQQISLJ-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000481987133 501936983 /nfs/dbraw/zinc/93/69/83/501936983.db2.gz AOWPDEMDQATACC-QGZVFWFLSA-N 2 1 357.498 3.489 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1C ZINC000474802461 501957218 /nfs/dbraw/zinc/95/72/18/501957218.db2.gz RCIVQZGHBDOOHO-NXIXHYNASA-N 2 1 358.526 3.464 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1C ZINC000474802461 501957223 /nfs/dbraw/zinc/95/72/23/501957223.db2.gz RCIVQZGHBDOOHO-NXIXHYNASA-N 2 1 358.526 3.464 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@@H](C)C1 ZINC000482129039 501983363 /nfs/dbraw/zinc/98/33/63/501983363.db2.gz RKXIDNDLCMDILI-AZUAARDMSA-N 2 1 360.542 3.453 20 0 FGADMP CC1CC[NH+](CC(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000474941709 501999257 /nfs/dbraw/zinc/99/92/57/501999257.db2.gz CANBKEBLUCXSGD-QHCPKHFHSA-N 2 1 369.553 3.233 20 0 FGADMP C[C@@H](C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)Cc1ccccc1 ZINC000482201226 502006146 /nfs/dbraw/zinc/00/61/46/502006146.db2.gz WSQCFNMSWTXMPX-LJQANCHMSA-N 2 1 365.521 3.043 20 0 FGADMP C[C@H](CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCc1ccccc1 ZINC000474979617 502010332 /nfs/dbraw/zinc/01/03/32/502010332.db2.gz YWTXHLFSEBEBLW-MEMABINQSA-N 2 1 371.569 3.225 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000468286515 502015654 /nfs/dbraw/zinc/01/56/54/502015654.db2.gz FUTNFBYRYAPJMI-KRWDZBQOSA-N 2 1 371.447 3.300 20 0 FGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000468426893 502056177 /nfs/dbraw/zinc/05/61/77/502056177.db2.gz FOIGPTMWYAMBGD-ACRUOGEOSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000468467388 502068740 /nfs/dbraw/zinc/06/87/40/502068740.db2.gz AKOVAMKZXZCLCH-DLBZAZTESA-N 2 1 352.482 3.240 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000475189343 502094833 /nfs/dbraw/zinc/09/48/33/502094833.db2.gz AFSCDCVOWOHZIE-KSZLIROESA-N 2 1 364.530 3.286 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000475189343 502094838 /nfs/dbraw/zinc/09/48/38/502094838.db2.gz AFSCDCVOWOHZIE-KSZLIROESA-N 2 1 364.530 3.286 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000475269895 502111355 /nfs/dbraw/zinc/11/13/55/502111355.db2.gz NVTQSTUVJKZUGK-PGRDOPGGSA-N 2 1 357.542 3.218 20 0 FGADMP CCc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838497 502113105 /nfs/dbraw/zinc/11/31/05/502113105.db2.gz WLHONCMGXJPYQD-OXQOHEQNSA-N 2 1 373.541 3.358 20 0 FGADMP CCc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838497 502113109 /nfs/dbraw/zinc/11/31/09/502113109.db2.gz WLHONCMGXJPYQD-OXQOHEQNSA-N 2 1 373.541 3.358 20 0 FGADMP C[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000461445747 502117055 /nfs/dbraw/zinc/11/70/55/502117055.db2.gz FQHPGMZJXSCTET-CEMLEFRQSA-N 2 1 369.553 3.231 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000475376843 502153572 /nfs/dbraw/zinc/15/35/72/502153572.db2.gz YOOSRXCDGYGDGT-UHFFFAOYSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2ccccc2c1 ZINC000482887103 502207920 /nfs/dbraw/zinc/20/79/20/502207920.db2.gz PDYULCWPPHTUDZ-KRWDZBQOSA-N 2 1 353.510 3.433 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(=O)N(C)C)CCCC1 ZINC000482940253 502221913 /nfs/dbraw/zinc/22/19/13/502221913.db2.gz DEGWXYSLIHYZPT-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000475616372 502229163 /nfs/dbraw/zinc/22/91/63/502229163.db2.gz FGQSPSLITAKRBD-UHFFFAOYSA-N 2 1 367.371 3.311 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCO)Cc2ccc(C)o2)CC1 ZINC000475629660 502236071 /nfs/dbraw/zinc/23/60/71/502236071.db2.gz YMMRINSNRGNCMI-UHFFFAOYSA-N 2 1 371.525 3.115 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCO)Cc2ccc(C)o2)CC1 ZINC000475629660 502236078 /nfs/dbraw/zinc/23/60/78/502236078.db2.gz YMMRINSNRGNCMI-UHFFFAOYSA-N 2 1 371.525 3.115 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000462014770 502274535 /nfs/dbraw/zinc/27/45/35/502274535.db2.gz NFVJGBPQOVDJRD-OAQYLSRUSA-N 2 1 371.569 3.418 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000465544577 502300228 /nfs/dbraw/zinc/30/02/28/502300228.db2.gz MSGXGXLAJNRBSD-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472293000 502302936 /nfs/dbraw/zinc/30/29/36/502302936.db2.gz MYVVOQZRFJNMAO-IEBWSBKVSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472293000 502302943 /nfs/dbraw/zinc/30/29/43/502302943.db2.gz MYVVOQZRFJNMAO-IEBWSBKVSA-N 2 1 361.530 3.009 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@@H]3[C@@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376859 502334466 /nfs/dbraw/zinc/33/44/66/502334466.db2.gz ZINOPDNGIJZRQN-TZIWHRDSSA-N 2 1 363.509 3.438 20 0 FGADMP CC(C)CNC(=O)c1cccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472457765 502356671 /nfs/dbraw/zinc/35/66/71/502356671.db2.gz UTKJBSHZUMVYLZ-FQEVSTJZSA-N 2 1 357.542 3.236 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000465727643 502360868 /nfs/dbraw/zinc/36/08/68/502360868.db2.gz QYFHAQJVRVZQOQ-GGPKGHCWSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744684 502367221 /nfs/dbraw/zinc/36/72/21/502367221.db2.gz FFJHYJVOCXGBPC-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465744684 502367226 /nfs/dbraw/zinc/36/72/26/502367226.db2.gz FFJHYJVOCXGBPC-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465744684 502367233 /nfs/dbraw/zinc/36/72/33/502367233.db2.gz FFJHYJVOCXGBPC-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccc(CNC(=O)C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000472576997 502389588 /nfs/dbraw/zinc/38/95/88/502389588.db2.gz AYCBOBHFOQBMTG-NRFANRHFSA-N 2 1 357.542 3.198 20 0 FGADMP CC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596208580 506310624 /nfs/dbraw/zinc/31/06/24/506310624.db2.gz ZBDTZYMDSBAYTN-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451386 502396614 /nfs/dbraw/zinc/39/66/14/502396614.db2.gz CPDMWYAHERJMJB-PNBKFKSVSA-N 2 1 374.447 3.055 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854869 502403822 /nfs/dbraw/zinc/40/38/22/502403822.db2.gz MYNHRBUILQHLGL-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465854869 502403826 /nfs/dbraw/zinc/40/38/26/502403826.db2.gz MYNHRBUILQHLGL-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465854869 502403829 /nfs/dbraw/zinc/40/38/29/502403829.db2.gz MYNHRBUILQHLGL-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526652 502421631 /nfs/dbraw/zinc/42/16/31/502421631.db2.gz SGZUUMKSBZDMEK-RXVVDRJESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000465923177 502428654 /nfs/dbraw/zinc/42/86/54/502428654.db2.gz SMFIHPDFLIGZRM-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465923002 502428981 /nfs/dbraw/zinc/42/89/81/502428981.db2.gz QKTFGKAKUJHTND-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465923002 502428982 /nfs/dbraw/zinc/42/89/82/502428982.db2.gz QKTFGKAKUJHTND-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465923002 502428984 /nfs/dbraw/zinc/42/89/84/502428984.db2.gz QKTFGKAKUJHTND-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567413 502434415 /nfs/dbraw/zinc/43/44/15/502434415.db2.gz JIGPKKFTJBXAHI-HBMCJLEFSA-N 2 1 357.542 3.086 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568875 502466282 /nfs/dbraw/zinc/46/62/82/502466282.db2.gz MYAUXHMDRQCBEP-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527416 502476203 /nfs/dbraw/zinc/47/62/03/502476203.db2.gz RKNIZDIFIGXRKI-DYXWJJEUSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527416 502476207 /nfs/dbraw/zinc/47/62/07/502476207.db2.gz RKNIZDIFIGXRKI-DYXWJJEUSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462527416 502476213 /nfs/dbraw/zinc/47/62/13/502476213.db2.gz RKNIZDIFIGXRKI-DYXWJJEUSA-N 2 1 374.573 3.410 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000466116025 502481857 /nfs/dbraw/zinc/48/18/57/502481857.db2.gz NBFRGNANCKJVAO-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000472983512 502491310 /nfs/dbraw/zinc/49/13/10/502491310.db2.gz MSKLGVUACIBCEZ-HXUWFJFHSA-N 2 1 361.505 3.125 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000472983512 502491315 /nfs/dbraw/zinc/49/13/15/502491315.db2.gz MSKLGVUACIBCEZ-HXUWFJFHSA-N 2 1 361.505 3.125 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711911 506316418 /nfs/dbraw/zinc/31/64/18/506316418.db2.gz UZWZMUUMCKKWLD-OTWHNJEPSA-N 2 1 373.541 3.143 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711911 506316424 /nfs/dbraw/zinc/31/64/24/506316424.db2.gz UZWZMUUMCKKWLD-OTWHNJEPSA-N 2 1 373.541 3.143 20 0 FGADMP C[C@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000487847254 502546544 /nfs/dbraw/zinc/54/65/44/502546544.db2.gz ZWSXSXCVOUFMAQ-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000466365955 502548676 /nfs/dbraw/zinc/54/86/76/502548676.db2.gz YVBNORHRROPQQU-MSYGRNIXSA-N 2 1 372.553 3.328 20 0 FGADMP Cc1cc2cc(C[N@H+]3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857797 502570610 /nfs/dbraw/zinc/57/06/10/502570610.db2.gz XRXZFHNYKWVTPJ-YLJYHZDGSA-N 2 1 369.509 3.130 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000469861927 502571934 /nfs/dbraw/zinc/57/19/34/502571934.db2.gz LTBJHQGPEPYVPH-OCCSQVGLSA-N 2 1 363.303 3.112 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000484127981 502576948 /nfs/dbraw/zinc/57/69/48/502576948.db2.gz LUKONMADKCONMT-XZOQPEGZSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000484127981 502576954 /nfs/dbraw/zinc/57/69/54/502576954.db2.gz LUKONMADKCONMT-XZOQPEGZSA-N 2 1 366.505 3.299 20 0 FGADMP CCC[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870494 502577212 /nfs/dbraw/zinc/57/72/12/502577212.db2.gz JJAFNXJPMMVUNV-CEWLAPEOSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000484127000 502577216 /nfs/dbraw/zinc/57/72/16/502577216.db2.gz GPGNWPMQFJDETO-PMOQBDJRSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000484127000 502577223 /nfs/dbraw/zinc/57/72/23/502577223.db2.gz GPGNWPMQFJDETO-PMOQBDJRSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469884986 502583308 /nfs/dbraw/zinc/58/33/08/502583308.db2.gz RBXFLLXWEKXPNZ-BVSLBCMMSA-N 2 1 352.526 3.416 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCc2c1cccc2F ZINC000484149092 502584543 /nfs/dbraw/zinc/58/45/43/502584543.db2.gz SUYOPPKGLBGAHV-BULFRSBZSA-N 2 1 354.469 3.286 20 0 FGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163884 502590897 /nfs/dbraw/zinc/59/08/97/502590897.db2.gz QOSVZUKGKWJUHS-FCHUYYIVSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163884 502590904 /nfs/dbraw/zinc/59/09/04/502590904.db2.gz QOSVZUKGKWJUHS-FCHUYYIVSA-N 2 1 354.494 3.373 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988647 502620603 /nfs/dbraw/zinc/62/06/03/502620603.db2.gz DCMFKANISPEQRB-CVEARBPZSA-N 2 1 371.447 3.068 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988647 502620612 /nfs/dbraw/zinc/62/06/12/502620612.db2.gz DCMFKANISPEQRB-CVEARBPZSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@H]1CN(C(=O)NCCC[NH+](C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000488172517 502646443 /nfs/dbraw/zinc/64/64/43/502646443.db2.gz BMGVQMJOYOZLCZ-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488172517 502646446 /nfs/dbraw/zinc/64/64/46/502646446.db2.gz BMGVQMJOYOZLCZ-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000488172517 502646450 /nfs/dbraw/zinc/64/64/50/502646450.db2.gz BMGVQMJOYOZLCZ-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000477026082 502652823 /nfs/dbraw/zinc/65/28/23/502652823.db2.gz FWOZVFVGKCVCDE-FQEVSTJZSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000470091323 502657827 /nfs/dbraw/zinc/65/78/27/502657827.db2.gz GDKOCTOTUPADQK-KRWDZBQOSA-N 2 1 361.530 3.187 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1(C)C ZINC000463026842 502664600 /nfs/dbraw/zinc/66/46/00/502664600.db2.gz AUIXDKJEWIQIQQ-MXEMCNAFSA-N 2 1 360.542 3.051 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1(C)C ZINC000463026842 502664604 /nfs/dbraw/zinc/66/46/04/502664604.db2.gz AUIXDKJEWIQIQQ-MXEMCNAFSA-N 2 1 360.542 3.051 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000463061811 502679751 /nfs/dbraw/zinc/67/97/51/502679751.db2.gz LHSKAEJWJPAAMV-UFYCRDLUSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000463061811 502679755 /nfs/dbraw/zinc/67/97/55/502679755.db2.gz LHSKAEJWJPAAMV-UFYCRDLUSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000463061811 502679761 /nfs/dbraw/zinc/67/97/61/502679761.db2.gz LHSKAEJWJPAAMV-UFYCRDLUSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850939 502688014 /nfs/dbraw/zinc/68/80/14/502688014.db2.gz VXHLPNNXDIJYAL-GHTZIAJQSA-N 2 1 351.494 3.059 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850939 502688020 /nfs/dbraw/zinc/68/80/20/502688020.db2.gz VXHLPNNXDIJYAL-GHTZIAJQSA-N 2 1 351.494 3.059 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)c2nc3ccccc3s2)CC1 ZINC000488341265 502689061 /nfs/dbraw/zinc/68/90/61/502689061.db2.gz BZPZLIKWDPTMAE-UHFFFAOYSA-N 2 1 374.554 3.313 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000484646314 502694974 /nfs/dbraw/zinc/69/49/74/502694974.db2.gz UNXBXRNIEMERII-FPOVZHCZSA-N 2 1 372.557 3.339 20 0 FGADMP COC(=O)c1ccccc1CC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000463217586 502723653 /nfs/dbraw/zinc/72/36/53/502723653.db2.gz DZIMYPPBASQZSV-UHFFFAOYSA-N 2 1 355.482 3.323 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478266 502725412 /nfs/dbraw/zinc/72/54/12/502725412.db2.gz BMYXMWSCGCJODI-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000470299635 502728574 /nfs/dbraw/zinc/72/85/74/502728574.db2.gz VODDGCKEVHVVDI-FQEVSTJZSA-N 2 1 362.562 3.125 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@H](C)C1 ZINC000481039583 502737450 /nfs/dbraw/zinc/73/74/50/502737450.db2.gz RRHVKWRBSZKEAU-CGXNFDGLSA-N 2 1 353.595 3.224 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2)C[C@H](C)O1 ZINC000470375156 502754061 /nfs/dbraw/zinc/75/40/61/502754061.db2.gz MCHWQVPUYLKZKT-IYBDPMFKSA-N 2 1 365.477 3.151 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2)C[C@H](C)O1 ZINC000470375156 502754064 /nfs/dbraw/zinc/75/40/64/502754064.db2.gz MCHWQVPUYLKZKT-IYBDPMFKSA-N 2 1 365.477 3.151 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)[NH+](C)C)cc1 ZINC000488584018 502757425 /nfs/dbraw/zinc/75/74/25/502757425.db2.gz QHDJOYVARDJJBE-WIYYLYMNSA-N 2 1 372.557 3.114 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932127 502781122 /nfs/dbraw/zinc/78/11/22/502781122.db2.gz CXQAUEKCXVRZQF-IAGOWNOFSA-N 2 1 353.466 3.477 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCOC1 ZINC000474032592 502784995 /nfs/dbraw/zinc/78/49/95/502784995.db2.gz MIRYKPRGJKPUCE-YPAWHYETSA-N 2 1 358.526 3.204 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH2+]C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000504913187 502822614 /nfs/dbraw/zinc/82/26/14/502822614.db2.gz CEQPGIMXIGVPQX-SFHVURJKSA-N 2 1 372.557 3.045 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000495380944 502831852 /nfs/dbraw/zinc/83/18/52/502831852.db2.gz SXECTPIVBIJYMS-HKUYNNGSSA-N 2 1 363.546 3.486 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000495380944 502831853 /nfs/dbraw/zinc/83/18/53/502831853.db2.gz SXECTPIVBIJYMS-HKUYNNGSSA-N 2 1 363.546 3.486 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500899599 502889127 /nfs/dbraw/zinc/88/91/27/502889127.db2.gz GUVNHDPLYIQIBJ-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@H](C(=O)NCC1CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027682 502914674 /nfs/dbraw/zinc/91/46/74/502914674.db2.gz KYIIUIBTDOWHRO-GOSISDBHSA-N 2 1 372.557 3.315 20 0 FGADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000501046686 502921506 /nfs/dbraw/zinc/92/15/06/502921506.db2.gz MLAZFJDEOYWJNA-UHFFFAOYSA-N 2 1 370.472 3.316 20 0 FGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000501051812 502923257 /nfs/dbraw/zinc/92/32/57/502923257.db2.gz LMOPCIDHVQPBTP-RBUKOAKNSA-N 2 1 359.558 3.419 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000509591700 502943418 /nfs/dbraw/zinc/94/34/18/502943418.db2.gz RABBCQQMMROROT-XMTFNYHQSA-N 2 1 364.534 3.081 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1)C1CC1 ZINC000505607843 502948749 /nfs/dbraw/zinc/94/87/49/502948749.db2.gz MVCNDOUONOSYDF-QFIPXVFZSA-N 2 1 355.526 3.229 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1)C1CC1 ZINC000505607843 502948754 /nfs/dbraw/zinc/94/87/54/502948754.db2.gz MVCNDOUONOSYDF-QFIPXVFZSA-N 2 1 355.526 3.229 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1)C1CC1 ZINC000505607843 502948759 /nfs/dbraw/zinc/94/87/59/502948759.db2.gz MVCNDOUONOSYDF-QFIPXVFZSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@H+]1Cc1ccccc1 ZINC000513504710 502954197 /nfs/dbraw/zinc/95/41/97/502954197.db2.gz FACIIPMIVNGSSY-YLJYHZDGSA-N 2 1 363.509 3.359 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558979 502965644 /nfs/dbraw/zinc/96/56/44/502965644.db2.gz FPXAORRATXYQSP-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558979 502965648 /nfs/dbraw/zinc/96/56/48/502965648.db2.gz FPXAORRATXYQSP-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558979 502965653 /nfs/dbraw/zinc/96/56/53/502965653.db2.gz FPXAORRATXYQSP-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558979 502965658 /nfs/dbraw/zinc/96/56/58/502965658.db2.gz FPXAORRATXYQSP-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000505736596 502975994 /nfs/dbraw/zinc/97/59/94/502975994.db2.gz AAFAHQBPRJPQPC-QGZVFWFLSA-N 2 1 359.539 3.389 20 0 FGADMP CC(C)Oc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497510628 502976377 /nfs/dbraw/zinc/97/63/77/502976377.db2.gz UBWKHZKMBHBTBE-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CC(C)Oc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497510628 502976383 /nfs/dbraw/zinc/97/63/83/502976383.db2.gz UBWKHZKMBHBTBE-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000489532282 502979995 /nfs/dbraw/zinc/97/99/95/502979995.db2.gz IEVONIFBOAGYCO-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP CCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000505806127 502989534 /nfs/dbraw/zinc/98/95/34/502989534.db2.gz CEGKRXDFOVTQIE-NRFANRHFSA-N 2 1 374.573 3.021 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CCN(CC(F)F)CC1 ZINC000497582851 502993499 /nfs/dbraw/zinc/99/34/99/502993499.db2.gz RDYDDJNRLMWRFC-GOSISDBHSA-N 2 1 371.516 3.124 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1 ZINC000489610005 502998411 /nfs/dbraw/zinc/99/84/11/502998411.db2.gz XEIYLCMRZRWEMT-NRFANRHFSA-N 2 1 358.526 3.216 20 0 FGADMP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513696847 503002981 /nfs/dbraw/zinc/00/29/81/503002981.db2.gz FHMBURLOFSQZTO-FDFHNCONSA-N 2 1 352.526 3.472 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000501469118 503015162 /nfs/dbraw/zinc/01/51/62/503015162.db2.gz UBBLBEAMNPZWBP-UHFFFAOYSA-N 2 1 354.498 3.423 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501489627 503019346 /nfs/dbraw/zinc/01/93/46/503019346.db2.gz GLSFPLARSOJEJD-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000501489627 503019351 /nfs/dbraw/zinc/01/93/51/503019351.db2.gz GLSFPLARSOJEJD-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000501489627 503019355 /nfs/dbraw/zinc/01/93/55/503019355.db2.gz GLSFPLARSOJEJD-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501489625 503019604 /nfs/dbraw/zinc/01/96/04/503019604.db2.gz GLSFPLARSOJEJD-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000501489625 503019606 /nfs/dbraw/zinc/01/96/06/503019606.db2.gz GLSFPLARSOJEJD-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000501489625 503019608 /nfs/dbraw/zinc/01/96/08/503019608.db2.gz GLSFPLARSOJEJD-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000501495857 503021365 /nfs/dbraw/zinc/02/13/65/503021365.db2.gz QAWHLOQQRWFCBS-VQTJNVASSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000501495857 503021366 /nfs/dbraw/zinc/02/13/66/503021366.db2.gz QAWHLOQQRWFCBS-VQTJNVASSA-N 2 1 372.557 3.085 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504647 503023601 /nfs/dbraw/zinc/02/36/01/503023601.db2.gz RYPMLHLEPKZBOC-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP OC(C[NH+]1CC[C@H](c2ccccc2)C1)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000497767094 503037008 /nfs/dbraw/zinc/03/70/08/503037008.db2.gz IGZKTWURAJRCKY-VXKWHMMOSA-N 2 1 350.506 3.326 20 0 FGADMP COc1ccccc1[C@H](C)N(C)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489821778 503042677 /nfs/dbraw/zinc/04/26/77/503042677.db2.gz AQTQPWSVFUUDMA-KRWDZBQOSA-N 2 1 361.530 3.056 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032290 503071922 /nfs/dbraw/zinc/07/19/22/503071922.db2.gz FEUVHASHBGHRRH-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053810 503076621 /nfs/dbraw/zinc/07/66/21/503076621.db2.gz BEFDBDNEAQWWSX-ACRUOGEOSA-N 2 1 370.541 3.058 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000501788039 503080291 /nfs/dbraw/zinc/08/02/91/503080291.db2.gz CLAWBMOGENYOBO-UHFFFAOYSA-N 2 1 370.534 3.043 20 0 FGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@H]21 ZINC000514193697 503109688 /nfs/dbraw/zinc/10/96/88/503109688.db2.gz GYIBUZSNDBSMOR-CIAFKFPVSA-N 2 1 356.510 3.193 20 0 FGADMP c1cc(C[N@@H+]2CCO[C@@H]3CCC[C@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193697 503109689 /nfs/dbraw/zinc/10/96/89/503109689.db2.gz GYIBUZSNDBSMOR-CIAFKFPVSA-N 2 1 356.510 3.193 20 0 FGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193697 503109690 /nfs/dbraw/zinc/10/96/90/503109690.db2.gz GYIBUZSNDBSMOR-CIAFKFPVSA-N 2 1 356.510 3.193 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCN2CCC(O)CC2)c2ccc(F)cc2)cc1 ZINC000490156488 503119282 /nfs/dbraw/zinc/11/92/82/503119282.db2.gz JBUREXKPEKAMHA-JOCHJYFZSA-N 2 1 372.484 3.360 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]([NH3+])CC(F)F)C1CCCCC1 ZINC000498193948 503127358 /nfs/dbraw/zinc/12/73/58/503127358.db2.gz BZMFXMSYMWOULJ-KRWDZBQOSA-N 2 1 353.457 3.050 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000498214143 503132763 /nfs/dbraw/zinc/13/27/63/503132763.db2.gz NVEUBMMRAFAONU-YFVAEKQCSA-N 2 1 351.494 3.103 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000498250033 503142219 /nfs/dbraw/zinc/14/22/19/503142219.db2.gz HAEBJCZSHOFTNR-QZTJIDSGSA-N 2 1 360.546 3.153 20 0 FGADMP c1nc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n2c1CCCC2 ZINC000502344485 503183890 /nfs/dbraw/zinc/18/38/90/503183890.db2.gz IGOOAYMUHXBKQP-QGZVFWFLSA-N 2 1 353.466 3.370 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000498434660 503184793 /nfs/dbraw/zinc/18/47/93/503184793.db2.gz KAXOWSFFQWQODD-HXUWFJFHSA-N 2 1 357.498 3.274 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929528 503195833 /nfs/dbraw/zinc/19/58/33/503195833.db2.gz GCZAMODEXHFBLJ-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cnn(C2CCCC2)c1 ZINC000502473639 503205400 /nfs/dbraw/zinc/20/54/00/503205400.db2.gz DBSZIHIBZMFTQV-VGSWGCGISA-N 2 1 368.525 3.416 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000514854352 503210703 /nfs/dbraw/zinc/21/07/03/503210703.db2.gz RDACKONSKDNNPW-UHFFFAOYSA-N 2 1 374.529 3.063 20 0 FGADMP C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815589 503231473 /nfs/dbraw/zinc/23/14/73/503231473.db2.gz RLWGGGLXYKJTHH-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815589 503231477 /nfs/dbraw/zinc/23/14/77/503231477.db2.gz RLWGGGLXYKJTHH-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490815589 503231481 /nfs/dbraw/zinc/23/14/81/503231481.db2.gz RLWGGGLXYKJTHH-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490815589 503231484 /nfs/dbraw/zinc/23/14/84/503231484.db2.gz RLWGGGLXYKJTHH-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP CC[NH+](CC)CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000511032931 503239275 /nfs/dbraw/zinc/23/92/75/503239275.db2.gz UDZUZLXEDCFONC-UHFFFAOYSA-N 2 1 353.510 3.390 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709398 503244082 /nfs/dbraw/zinc/24/40/82/503244082.db2.gz IVAQWWJRIWVRJL-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709398 503244086 /nfs/dbraw/zinc/24/40/86/503244086.db2.gz IVAQWWJRIWVRJL-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709398 503244089 /nfs/dbraw/zinc/24/40/89/503244089.db2.gz IVAQWWJRIWVRJL-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000491021625 503261952 /nfs/dbraw/zinc/26/19/52/503261952.db2.gz QHSNKGZXJKKFHN-SFTDATJTSA-N 2 1 359.558 3.030 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054830 503266180 /nfs/dbraw/zinc/26/61/80/503266180.db2.gz DQXLJCODNPIELU-LEWJYISDSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054830 503266182 /nfs/dbraw/zinc/26/61/82/503266182.db2.gz DQXLJCODNPIELU-LEWJYISDSA-N 2 1 360.542 3.323 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N3CC[N@@H+](C)CC[C@H]3C)c2)CC1 ZINC000502763302 503266224 /nfs/dbraw/zinc/26/62/24/503266224.db2.gz OEZZHTAGTKSEOR-LJQANCHMSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000502792689 503272683 /nfs/dbraw/zinc/27/26/83/503272683.db2.gz DSGCUODQIAOVHX-GOSISDBHSA-N 2 1 372.557 3.434 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000502824599 503281601 /nfs/dbraw/zinc/28/16/01/503281601.db2.gz JGMRZXLJEOJDDO-ZWKOTPCHSA-N 2 1 364.534 3.226 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000507393530 503292474 /nfs/dbraw/zinc/29/24/74/503292474.db2.gz XUMWZJWITGVEQF-TZIWHRDSSA-N 2 1 372.557 3.163 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491308477 503295475 /nfs/dbraw/zinc/29/54/75/503295475.db2.gz IANXDRMDOGQWRJ-CTNGQTDRSA-N 2 1 355.530 3.317 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000498925672 503295726 /nfs/dbraw/zinc/29/57/26/503295726.db2.gz ZJJZLWNWWJRJMI-UHFFFAOYSA-N 2 1 370.545 3.438 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cc(C)nc(N2CCCCC2)n1)CC(C)C ZINC000498925672 503295731 /nfs/dbraw/zinc/29/57/31/503295731.db2.gz ZJJZLWNWWJRJMI-UHFFFAOYSA-N 2 1 370.545 3.438 20 0 FGADMP OC[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000507488879 503307285 /nfs/dbraw/zinc/30/72/85/503307285.db2.gz VUAUJSGNJPVMKS-PDGJWGCVSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000507488879 503307289 /nfs/dbraw/zinc/30/72/89/503307289.db2.gz VUAUJSGNJPVMKS-PDGJWGCVSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(F)cc1 ZINC000507488879 503307293 /nfs/dbraw/zinc/30/72/93/503307293.db2.gz VUAUJSGNJPVMKS-PDGJWGCVSA-N 2 1 354.469 3.359 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000502941976 503311931 /nfs/dbraw/zinc/31/19/31/503311931.db2.gz SLOSNYVGASIVLN-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000502941976 503311934 /nfs/dbraw/zinc/31/19/34/503311934.db2.gz SLOSNYVGASIVLN-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000502941976 503311936 /nfs/dbraw/zinc/31/19/36/503311936.db2.gz SLOSNYVGASIVLN-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491558184 503319443 /nfs/dbraw/zinc/31/94/43/503319443.db2.gz FMQIFXHAYNTDIB-CYBMUJFWSA-N 2 1 365.319 3.231 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000515347924 503320569 /nfs/dbraw/zinc/32/05/69/503320569.db2.gz QRAQGTWCRBSTPM-XLIONFOSSA-N 2 1 374.550 3.441 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395538 503330168 /nfs/dbraw/zinc/33/01/68/503330168.db2.gz OGBDEFFQOWVQQU-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395538 503330173 /nfs/dbraw/zinc/33/01/73/503330173.db2.gz OGBDEFFQOWVQQU-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000515395538 503330177 /nfs/dbraw/zinc/33/01/77/503330177.db2.gz OGBDEFFQOWVQQU-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000503033011 503330459 /nfs/dbraw/zinc/33/04/59/503330459.db2.gz NDNYEAXTGPAVCN-PKOBYXMFSA-N 2 1 360.546 3.289 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000499108883 503336184 /nfs/dbraw/zinc/33/61/84/503336184.db2.gz CRNINFCCNASHLI-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562919 503344025 /nfs/dbraw/zinc/34/40/25/503344025.db2.gz XFXRSVABDWITCM-XLIONFOSSA-N 2 1 372.557 3.069 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000511581440 503347770 /nfs/dbraw/zinc/34/77/70/503347770.db2.gz PMCMPFGPQAQGAO-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511581440 503347776 /nfs/dbraw/zinc/34/77/76/503347776.db2.gz PMCMPFGPQAQGAO-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511581440 503347779 /nfs/dbraw/zinc/34/77/79/503347779.db2.gz PMCMPFGPQAQGAO-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492353050 503366373 /nfs/dbraw/zinc/36/63/73/503366373.db2.gz QOHZRJLMAGXKLK-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492353050 503366375 /nfs/dbraw/zinc/36/63/75/503366375.db2.gz QOHZRJLMAGXKLK-SIKLNZKXSA-N 2 1 365.521 3.145 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc2ccccc2c1 ZINC000499511986 503422596 /nfs/dbraw/zinc/42/25/96/503422596.db2.gz CUJWOMNDISUPIC-QFIPXVFZSA-N 2 1 367.537 3.257 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccco2)s1 ZINC000516118036 503449879 /nfs/dbraw/zinc/44/98/79/503449879.db2.gz RERKWPHWWPGAKG-MRXNPFEDSA-N 2 1 362.543 3.251 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892020 503454183 /nfs/dbraw/zinc/45/41/83/503454183.db2.gz RQDSPVWJQSWBHV-HPZZRFSDSA-N 2 1 371.447 3.188 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181240 503464196 /nfs/dbraw/zinc/46/41/96/503464196.db2.gz AVKCBLNCEUOHLO-HKUYNNGSSA-N 2 1 360.546 3.099 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000493997546 503472414 /nfs/dbraw/zinc/47/24/14/503472414.db2.gz ADCCYHNPEJXDDB-QMMLZNLJSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000493997546 503472421 /nfs/dbraw/zinc/47/24/21/503472421.db2.gz ADCCYHNPEJXDDB-QMMLZNLJSA-N 2 1 351.494 3.069 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1 ZINC000508474590 503501059 /nfs/dbraw/zinc/50/10/59/503501059.db2.gz BEHWJZGNAJCMHH-UHFFFAOYSA-N 2 1 366.509 3.276 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2sccc2C)CC1 ZINC000512262641 503502774 /nfs/dbraw/zinc/50/27/74/503502774.db2.gz GATXNJMNGMVALW-UHFFFAOYSA-N 2 1 351.560 3.117 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2sccc2C)CC1 ZINC000512262641 503502779 /nfs/dbraw/zinc/50/27/79/503502779.db2.gz GATXNJMNGMVALW-UHFFFAOYSA-N 2 1 351.560 3.117 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434986 503550310 /nfs/dbraw/zinc/55/03/10/503550310.db2.gz CYUGUICEWSWAEN-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434986 503550314 /nfs/dbraw/zinc/55/03/14/503550314.db2.gz CYUGUICEWSWAEN-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000516761984 503581788 /nfs/dbraw/zinc/58/17/88/503581788.db2.gz QMQQVRJSXKDTRI-IUODEOHRSA-N 2 1 372.296 3.164 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512581456 503589004 /nfs/dbraw/zinc/58/90/04/503589004.db2.gz HRYCKXRAGKEBHY-IZGVIRRGSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512581456 503589008 /nfs/dbraw/zinc/58/90/08/503589008.db2.gz HRYCKXRAGKEBHY-IZGVIRRGSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512581456 503589011 /nfs/dbraw/zinc/58/90/11/503589011.db2.gz HRYCKXRAGKEBHY-IZGVIRRGSA-N 2 1 373.324 3.290 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+](C)C ZINC000508902337 503595301 /nfs/dbraw/zinc/59/53/01/503595301.db2.gz WFXJRBMWYWGSDS-QIJZPMMNSA-N 2 1 372.557 3.112 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000494745246 503603034 /nfs/dbraw/zinc/60/30/34/503603034.db2.gz KQLGBZXHYUURLB-FCHUYYIVSA-N 2 1 366.505 3.127 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000516877980 503607163 /nfs/dbraw/zinc/60/71/63/503607163.db2.gz SUDXIMDQIAARTE-SDDRHHMPSA-N 2 1 355.276 3.141 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512667857 503607758 /nfs/dbraw/zinc/60/77/58/503607758.db2.gz RJCMBVPKVKZKLG-SFHLNBCPSA-N 2 1 369.484 3.490 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000512810037 503636870 /nfs/dbraw/zinc/63/68/70/503636870.db2.gz OZMHSWLOIVHQMG-IRXDYDNUSA-N 2 1 360.452 3.484 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000512810037 503636873 /nfs/dbraw/zinc/63/68/73/503636873.db2.gz OZMHSWLOIVHQMG-IRXDYDNUSA-N 2 1 360.452 3.484 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000543191879 503669896 /nfs/dbraw/zinc/66/98/96/503669896.db2.gz JILFZJVDVSTQKW-UHFFFAOYSA-N 2 1 368.529 3.071 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CCCCCn1nnc(-c3ccccc3)n1)CC2 ZINC000543191879 503669906 /nfs/dbraw/zinc/66/99/06/503669906.db2.gz JILFZJVDVSTQKW-UHFFFAOYSA-N 2 1 368.529 3.071 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@H]4CCCC[C@@H]43)CC2)CC1 ZINC000517245557 503692780 /nfs/dbraw/zinc/69/27/80/503692780.db2.gz UOIQKIOBQQWWJQ-WMQCIHAUSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257772 503702202 /nfs/dbraw/zinc/70/22/02/503702202.db2.gz ZLRYQMBFRYERJN-HKUYNNGSSA-N 2 1 372.557 3.340 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257772 503702204 /nfs/dbraw/zinc/70/22/04/503702204.db2.gz ZLRYQMBFRYERJN-HKUYNNGSSA-N 2 1 372.557 3.340 20 0 FGADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000543294158 503713625 /nfs/dbraw/zinc/71/36/25/503713625.db2.gz JZPKMNJZESFQAW-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000543294158 503713628 /nfs/dbraw/zinc/71/36/28/503713628.db2.gz JZPKMNJZESFQAW-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1[C@@H](C)[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000543294158 503713632 /nfs/dbraw/zinc/71/36/32/503713632.db2.gz JZPKMNJZESFQAW-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540245351 503723067 /nfs/dbraw/zinc/72/30/67/503723067.db2.gz RZRZVRNAOIAHTI-KZNAEPCWSA-N 2 1 364.505 3.477 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCC[C@H]2C2CC2)c1 ZINC000540258644 503726731 /nfs/dbraw/zinc/72/67/31/503726731.db2.gz IUCMXEBGSVQPSS-LEWJYISDSA-N 2 1 371.525 3.016 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC1)CC(C)C ZINC000540267173 503727650 /nfs/dbraw/zinc/72/76/50/503727650.db2.gz SDZYLOZMKOHATD-IBGZPJMESA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1)CC(C)C ZINC000540267173 503727657 /nfs/dbraw/zinc/72/76/57/503727657.db2.gz SDZYLOZMKOHATD-IBGZPJMESA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1)CC(C)C ZINC000540267173 503727660 /nfs/dbraw/zinc/72/76/60/503727660.db2.gz SDZYLOZMKOHATD-IBGZPJMESA-N 2 1 364.578 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000536827512 503733861 /nfs/dbraw/zinc/73/38/61/503733861.db2.gz PKAMZAHIRJPZKK-AZUAARDMSA-N 2 1 356.514 3.099 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000533114167 503735581 /nfs/dbraw/zinc/73/55/81/503735581.db2.gz VIVMEYMZOLFXJZ-AEFFLSMTSA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000533114167 503735586 /nfs/dbraw/zinc/73/55/86/503735586.db2.gz VIVMEYMZOLFXJZ-AEFFLSMTSA-N 2 1 369.513 3.273 20 0 FGADMP C([NH2+]C1CCC2(CCOCC2)CC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000536862191 503743606 /nfs/dbraw/zinc/74/36/06/503743606.db2.gz GSQUUBDPQYDDGT-UHFFFAOYSA-N 2 1 350.547 3.351 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)C1 ZINC000517453163 503749876 /nfs/dbraw/zinc/74/98/76/503749876.db2.gz YIKOSLRTRRDWAN-CYIGTMLWSA-N 2 1 363.505 3.187 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000543395288 503751357 /nfs/dbraw/zinc/75/13/57/503751357.db2.gz XUYCXBDCMOWRQY-KRWDZBQOSA-N 2 1 373.464 3.349 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000517491453 503755807 /nfs/dbraw/zinc/75/58/07/503755807.db2.gz KZSJSRYBBHTCHW-ZWKOTPCHSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000536934848 503766548 /nfs/dbraw/zinc/76/65/48/503766548.db2.gz BUZRCAYADXCKSQ-CALCHBBNSA-N 2 1 366.933 3.430 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000536934848 503766554 /nfs/dbraw/zinc/76/65/54/503766554.db2.gz BUZRCAYADXCKSQ-CALCHBBNSA-N 2 1 366.933 3.430 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1cn(-c3cc[nH+]cc3)nc1C)CCO2 ZINC000546634826 503816764 /nfs/dbraw/zinc/81/67/64/503816764.db2.gz LIPQFXVLCKZQQN-IBGZPJMESA-N 2 1 350.422 3.198 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C12CCCC2 ZINC000540595332 503827967 /nfs/dbraw/zinc/82/79/67/503827967.db2.gz YXPRJVFDWQHWCQ-YUMYIRISSA-N 2 1 372.553 3.197 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C12CCCC2 ZINC000540595332 503827974 /nfs/dbraw/zinc/82/79/74/503827974.db2.gz YXPRJVFDWQHWCQ-YUMYIRISSA-N 2 1 372.553 3.197 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532608 503877841 /nfs/dbraw/zinc/87/78/41/503877841.db2.gz OLOLUMAXBQMGBN-BBRMVZONSA-N 2 1 372.294 3.453 20 0 FGADMP CN(CCC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1cc[nH+]cc1 ZINC000543716060 503864058 /nfs/dbraw/zinc/86/40/58/503864058.db2.gz JKQJAFKACLEMSJ-UHFFFAOYSA-N 2 1 370.522 3.095 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@@H+](C)C1CC1 ZINC000517910711 503864357 /nfs/dbraw/zinc/86/43/57/503864357.db2.gz LARRITPKNRBSMR-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CO[C@@H]1CCCc2ccccc21 ZINC000517924987 503868658 /nfs/dbraw/zinc/86/86/58/503868658.db2.gz CPDQGTFSJWLAAZ-PEVXEQIPSA-N 2 1 358.526 3.048 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510641 503870158 /nfs/dbraw/zinc/87/01/58/503870158.db2.gz NKCZTQPJWUQSCN-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532608 503877839 /nfs/dbraw/zinc/87/78/39/503877839.db2.gz OLOLUMAXBQMGBN-BBRMVZONSA-N 2 1 372.294 3.453 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(I)cc2)[C@@H](C)C1 ZINC000533532608 503877837 /nfs/dbraw/zinc/87/78/37/503877837.db2.gz OLOLUMAXBQMGBN-BBRMVZONSA-N 2 1 372.294 3.453 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000530230894 503883356 /nfs/dbraw/zinc/88/33/56/503883356.db2.gz DFMOTEUEMJKDCV-GOSISDBHSA-N 2 1 364.493 3.041 20 0 FGADMP Clc1cnc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(Br)c1 ZINC000527696385 503899817 /nfs/dbraw/zinc/89/98/17/503899817.db2.gz SQNIIYJXFODQOS-JTQLQIEISA-N 2 1 355.667 3.046 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C4CCC4)cn3)CC2)CC1 ZINC000518215705 503929792 /nfs/dbraw/zinc/92/97/92/503929792.db2.gz YUGDFKIHZJNNDM-UHFFFAOYSA-N 2 1 370.541 3.484 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361712 503963244 /nfs/dbraw/zinc/96/32/44/503963244.db2.gz DQNWFWOEXQLFQC-WMZOPIPTSA-N 2 1 354.922 3.037 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000540997881 503969274 /nfs/dbraw/zinc/96/92/74/503969274.db2.gz GTUALRVIDQWOCA-LJQANCHMSA-N 2 1 363.590 3.467 20 0 FGADMP CCOc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000537621435 503980104 /nfs/dbraw/zinc/98/01/04/503980104.db2.gz PXPVHWDFKQTILP-UHFFFAOYSA-N 2 1 374.573 3.108 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc4c3OC(C)(C)C4)CC2)CC1 ZINC000537658183 503994474 /nfs/dbraw/zinc/99/44/74/503994474.db2.gz CNBUQKUBCDRCMF-UHFFFAOYSA-N 2 1 371.569 3.391 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)[NH+](C)C)cc1 ZINC000518594345 504023852 /nfs/dbraw/zinc/02/38/52/504023852.db2.gz YQGPWHUJPVVLLC-WSTZPKSXSA-N 2 1 360.546 3.160 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220850 504048348 /nfs/dbraw/zinc/04/83/48/504048348.db2.gz APYQSPUSWJGTOP-AZUAARDMSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220850 504048356 /nfs/dbraw/zinc/04/83/56/504048356.db2.gz APYQSPUSWJGTOP-AZUAARDMSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220850 504048365 /nfs/dbraw/zinc/04/83/65/504048365.db2.gz APYQSPUSWJGTOP-AZUAARDMSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000541220850 504048370 /nfs/dbraw/zinc/04/83/70/504048370.db2.gz APYQSPUSWJGTOP-AZUAARDMSA-N 2 1 374.525 3.325 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289593 504075184 /nfs/dbraw/zinc/07/51/84/504075184.db2.gz SIUFGXAARWIIKF-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP CCc1cc(=O)[nH]c(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534230333 504077408 /nfs/dbraw/zinc/07/74/08/504077408.db2.gz MWVMJFPWRANCPA-UHFFFAOYSA-N 2 1 366.509 3.233 20 0 FGADMP CCc1cc(=O)[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534230333 504077417 /nfs/dbraw/zinc/07/74/17/504077417.db2.gz MWVMJFPWRANCPA-UHFFFAOYSA-N 2 1 366.509 3.233 20 0 FGADMP c1ccc(C[N@@H+]2CCC3(C2)CCN(Cc2nnc(C4CC4)o2)CC3)cc1 ZINC000534227629 504078175 /nfs/dbraw/zinc/07/81/75/504078175.db2.gz BHDRUDMURCUUSS-UHFFFAOYSA-N 2 1 352.482 3.435 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000530822582 504095787 /nfs/dbraw/zinc/09/57/87/504095787.db2.gz YOAWIGHLSIXIPD-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528165299 504100412 /nfs/dbraw/zinc/10/04/12/504100412.db2.gz BXRIBIUSKOABEZ-LJQANCHMSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528165299 504100418 /nfs/dbraw/zinc/10/04/18/504100418.db2.gz BXRIBIUSKOABEZ-LJQANCHMSA-N 2 1 363.933 3.153 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1CC[NH+](CC)CC1 ZINC000528168499 504102983 /nfs/dbraw/zinc/10/29/83/504102983.db2.gz MVHJNYFZCNEWOH-FGZHOGPDSA-N 2 1 371.569 3.383 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544419707 504125969 /nfs/dbraw/zinc/12/59/69/504125969.db2.gz KBUSGLRJEARAOP-RXVVDRJESA-N 2 1 371.569 3.450 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419707 504125973 /nfs/dbraw/zinc/12/59/73/504125973.db2.gz KBUSGLRJEARAOP-RXVVDRJESA-N 2 1 371.569 3.450 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3C3CC3)c2)C1 ZINC000538100155 504132787 /nfs/dbraw/zinc/13/27/87/504132787.db2.gz BMRFROGOWACMHT-QHAWAJNXSA-N 2 1 355.526 3.052 20 0 FGADMP Cc1nc(C)c(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000530949587 504140002 /nfs/dbraw/zinc/14/00/02/504140002.db2.gz XELYZECEKMRHQG-UHFFFAOYSA-N 3 1 364.603 3.388 20 0 FGADMP CCSc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000534495639 504156128 /nfs/dbraw/zinc/15/61/28/504156128.db2.gz ISVQZUDEYCZMAX-MRXNPFEDSA-N 2 1 363.571 3.392 20 0 FGADMP CN(CCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)c1cc[nH+]cc1 ZINC000547658484 504171711 /nfs/dbraw/zinc/17/17/11/504171711.db2.gz XRJPZHZREFECEJ-JOCHJYFZSA-N 2 1 366.509 3.079 20 0 FGADMP CC1CCC(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000541580144 504186274 /nfs/dbraw/zinc/18/62/74/504186274.db2.gz SUCJAHYENWZYJX-NUVZVAJJSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602154 504194935 /nfs/dbraw/zinc/19/49/35/504194935.db2.gz GAXXXQYLEJJYIF-APWZRJJASA-N 2 1 355.526 3.356 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602154 504194941 /nfs/dbraw/zinc/19/49/41/504194941.db2.gz GAXXXQYLEJJYIF-APWZRJJASA-N 2 1 355.526 3.356 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827581 504238596 /nfs/dbraw/zinc/23/85/96/504238596.db2.gz OTVSKPOCKSSOJG-SNJCGAMXSA-N 2 1 371.569 3.130 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[NH+](CC)CC1 ZINC000528492164 504246496 /nfs/dbraw/zinc/24/64/96/504246496.db2.gz KHLUBFQZQDUACF-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[N@H+](CC)CC1 ZINC000528492164 504246499 /nfs/dbraw/zinc/24/64/99/504246499.db2.gz KHLUBFQZQDUACF-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[N@@H+](CC)CC1 ZINC000528492164 504246503 /nfs/dbraw/zinc/24/65/03/504246503.db2.gz KHLUBFQZQDUACF-NHCUHLMSSA-N 2 1 357.542 3.089 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000531290713 504254374 /nfs/dbraw/zinc/25/43/74/504254374.db2.gz UMJUFZTUKNRIIW-HXUWFJFHSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000531290713 504254378 /nfs/dbraw/zinc/25/43/78/504254378.db2.gz UMJUFZTUKNRIIW-HXUWFJFHSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000531290713 504254382 /nfs/dbraw/zinc/25/43/82/504254382.db2.gz UMJUFZTUKNRIIW-HXUWFJFHSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]([NH2+][C@@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568265 504256654 /nfs/dbraw/zinc/25/66/54/504256654.db2.gz QMCHHHZWRMPVEG-UCNVEGJOSA-N 2 1 356.485 3.229 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000534871069 504266572 /nfs/dbraw/zinc/26/65/72/504266572.db2.gz YDLXHEWCYCGFFV-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000534871069 504266576 /nfs/dbraw/zinc/26/65/76/504266576.db2.gz YDLXHEWCYCGFFV-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000528570862 504276272 /nfs/dbraw/zinc/27/62/72/504276272.db2.gz QZDROTKLEODILE-YPAWHYETSA-N 2 1 371.569 3.191 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381925 504287058 /nfs/dbraw/zinc/28/70/58/504287058.db2.gz FPNFHVJDHDKZKQ-WCCBULMPSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381925 504287066 /nfs/dbraw/zinc/28/70/66/504287066.db2.gz FPNFHVJDHDKZKQ-WCCBULMPSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@@H]1C ZINC000531381925 504287072 /nfs/dbraw/zinc/28/70/72/504287072.db2.gz FPNFHVJDHDKZKQ-WCCBULMPSA-N 2 1 360.542 3.246 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541895447 504293782 /nfs/dbraw/zinc/29/37/82/504293782.db2.gz VUMDTNLKUGVXCO-XGHQBKJUSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000541895447 504293787 /nfs/dbraw/zinc/29/37/87/504293787.db2.gz VUMDTNLKUGVXCO-XGHQBKJUSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541895447 504293790 /nfs/dbraw/zinc/29/37/90/504293790.db2.gz VUMDTNLKUGVXCO-XGHQBKJUSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541895447 504293795 /nfs/dbraw/zinc/29/37/95/504293795.db2.gz VUMDTNLKUGVXCO-XGHQBKJUSA-N 2 1 370.541 3.125 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528659704 504317520 /nfs/dbraw/zinc/31/75/20/504317520.db2.gz YEWDPINSTYNWHY-ZHHKINOHSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528659704 504317525 /nfs/dbraw/zinc/31/75/25/504317525.db2.gz YEWDPINSTYNWHY-ZHHKINOHSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528659704 504317531 /nfs/dbraw/zinc/31/75/31/504317531.db2.gz YEWDPINSTYNWHY-ZHHKINOHSA-N 2 1 371.569 3.380 20 0 FGADMP C[C@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000519751861 504328062 /nfs/dbraw/zinc/32/80/62/504328062.db2.gz XMFSRLSNVFXGEE-CEXWTWQISA-N 2 1 357.542 3.371 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000538735892 504350983 /nfs/dbraw/zinc/35/09/83/504350983.db2.gz LHANYDRVVSGSLY-IBGZPJMESA-N 2 1 362.514 3.161 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1C ZINC000538735892 504350988 /nfs/dbraw/zinc/35/09/88/504350988.db2.gz LHANYDRVVSGSLY-IBGZPJMESA-N 2 1 362.514 3.161 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1C ZINC000538735892 504350991 /nfs/dbraw/zinc/35/09/91/504350991.db2.gz LHANYDRVVSGSLY-IBGZPJMESA-N 2 1 362.514 3.161 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1C ZINC000538735892 504350998 /nfs/dbraw/zinc/35/09/98/504350998.db2.gz LHANYDRVVSGSLY-IBGZPJMESA-N 2 1 362.514 3.161 20 0 FGADMP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000538773394 504364907 /nfs/dbraw/zinc/36/49/07/504364907.db2.gz MSBVVJQCPCJMGM-FQEVSTJZSA-N 2 1 360.546 3.437 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000545158781 504378454 /nfs/dbraw/zinc/37/84/54/504378454.db2.gz MXPCNSXKPPANQM-IBGZPJMESA-N 2 1 370.541 3.163 20 0 FGADMP CCC[N@H+](CC)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000519904163 504378646 /nfs/dbraw/zinc/37/86/46/504378646.db2.gz WBMQOKMQEJKFIA-UHFFFAOYSA-N 2 1 353.510 3.216 20 0 FGADMP CCC[N@@H+](CC)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000519904163 504378652 /nfs/dbraw/zinc/37/86/52/504378652.db2.gz WBMQOKMQEJKFIA-UHFFFAOYSA-N 2 1 353.510 3.216 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)Cc3ccn(C(C)C)n3)CCCC2)CC1 ZINC000542153524 504383028 /nfs/dbraw/zinc/38/30/28/504383028.db2.gz HQAIEEDNTDEOPT-SFHVURJKSA-N 2 1 362.562 3.408 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923830 504385208 /nfs/dbraw/zinc/38/52/08/504385208.db2.gz QOQVWOBULDLKGL-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000519923830 504385216 /nfs/dbraw/zinc/38/52/16/504385216.db2.gz QOQVWOBULDLKGL-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000519923830 504385219 /nfs/dbraw/zinc/38/52/19/504385219.db2.gz QOQVWOBULDLKGL-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1sccc1Br ZINC000531704194 504398139 /nfs/dbraw/zinc/39/81/39/504398139.db2.gz UQGNZWTWXOOUCS-CYBMUJFWSA-N 2 1 360.365 3.189 20 0 FGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531723268 504403802 /nfs/dbraw/zinc/40/38/02/504403802.db2.gz PBPFJTYENBDANG-XMSQKQJNSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531723268 504403808 /nfs/dbraw/zinc/40/38/08/504403808.db2.gz PBPFJTYENBDANG-XMSQKQJNSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531723265 504404018 /nfs/dbraw/zinc/40/40/18/504404018.db2.gz PBPFJTYENBDANG-AVRDEDQJSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531723265 504404025 /nfs/dbraw/zinc/40/40/25/504404025.db2.gz PBPFJTYENBDANG-AVRDEDQJSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725725 504405411 /nfs/dbraw/zinc/40/54/11/504405411.db2.gz VIRATTFJHCWLPB-XJKCOSOUSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725725 504405413 /nfs/dbraw/zinc/40/54/13/504405413.db2.gz VIRATTFJHCWLPB-XJKCOSOUSA-N 2 1 368.319 3.239 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000520272331 504451505 /nfs/dbraw/zinc/45/15/05/504451505.db2.gz YLXYLTZBVPBDMT-UYAOXDASSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505658 504453892 /nfs/dbraw/zinc/45/38/92/504453892.db2.gz KSHZBURUNRRNGN-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505658 504453898 /nfs/dbraw/zinc/45/38/98/504453898.db2.gz KSHZBURUNRRNGN-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505658 504453903 /nfs/dbraw/zinc/45/39/03/504453903.db2.gz KSHZBURUNRRNGN-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000535505658 504453907 /nfs/dbraw/zinc/45/39/07/504453907.db2.gz KSHZBURUNRRNGN-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000531932542 504479078 /nfs/dbraw/zinc/47/90/78/504479078.db2.gz OQSOBJPBYIXFJJ-FUHWJXTLSA-N 2 1 361.559 3.165 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000531932536 504479221 /nfs/dbraw/zinc/47/92/21/504479221.db2.gz OQSOBJPBYIXFJJ-AEFFLSMTSA-N 2 1 361.559 3.165 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520403303 504491357 /nfs/dbraw/zinc/49/13/57/504491357.db2.gz TVICNOXUAIJBGH-HKUYNNGSSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520403303 504491361 /nfs/dbraw/zinc/49/13/61/504491361.db2.gz TVICNOXUAIJBGH-HKUYNNGSSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000548633590 504504173 /nfs/dbraw/zinc/50/41/73/504504173.db2.gz XQBDFIRLKHLURR-RDJZCZTQSA-N 2 1 353.601 3.158 20 0 FGADMP C[C@@H]1C[N@H+](CCCN[C@H](c2ccc(F)cc2)c2cccnc2)C[C@H](C)O1 ZINC000542479311 504506488 /nfs/dbraw/zinc/50/64/88/504506488.db2.gz UBYANKSUJGKNPZ-LLGFUMIMSA-N 2 1 357.473 3.399 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000542495351 504513933 /nfs/dbraw/zinc/51/39/33/504513933.db2.gz VJVRPUHRVPFFLH-GGAORHGYSA-N 2 1 373.585 3.326 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000542495351 504513936 /nfs/dbraw/zinc/51/39/36/504513936.db2.gz VJVRPUHRVPFFLH-GGAORHGYSA-N 2 1 373.585 3.326 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1C(F)(F)F ZINC000532227766 504580219 /nfs/dbraw/zinc/58/02/19/504580219.db2.gz UZRNHSOCPSRNHN-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710978 504583950 /nfs/dbraw/zinc/58/39/50/504583950.db2.gz RUQGHUHNWAAKJY-OPYAIIAOSA-N 2 1 372.557 3.194 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C12CCC2 ZINC000539500233 504591637 /nfs/dbraw/zinc/59/16/37/504591637.db2.gz VIRXHMHIQJEIFW-YADHBBJMSA-N 2 1 371.569 3.261 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000532326429 504612086 /nfs/dbraw/zinc/61/20/86/504612086.db2.gz IEQZRXHIHSXMSR-UHFFFAOYSA-N 2 1 361.921 3.473 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000532326429 504612091 /nfs/dbraw/zinc/61/20/91/504612091.db2.gz IEQZRXHIHSXMSR-UHFFFAOYSA-N 2 1 361.921 3.473 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000532378245 504629711 /nfs/dbraw/zinc/62/97/11/504629711.db2.gz ZRVSIUOMPMWXTF-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000532378245 504629714 /nfs/dbraw/zinc/62/97/14/504629714.db2.gz ZRVSIUOMPMWXTF-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000539831580 504707812 /nfs/dbraw/zinc/70/78/12/504707812.db2.gz GDHUDEJJDXYJDS-UHFFFAOYSA-N 3 1 361.574 3.187 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000539831580 504707813 /nfs/dbraw/zinc/70/78/13/504707813.db2.gz GDHUDEJJDXYJDS-UHFFFAOYSA-N 2 1 361.574 3.187 20 0 FGADMP Cc1ccc(C2CC([NH2+]C[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000543067517 504711608 /nfs/dbraw/zinc/71/16/08/504711608.db2.gz PRIIRCBCIMOBLI-VNXZQDSDSA-N 2 1 350.506 3.468 20 0 FGADMP Cc1ccc(C2CC([NH2+]C[C@@]3(O)CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000543067517 504711612 /nfs/dbraw/zinc/71/16/12/504711612.db2.gz PRIIRCBCIMOBLI-VNXZQDSDSA-N 2 1 350.506 3.468 20 0 FGADMP O[C@@]1(CNCc2cccc(-c3ccccn3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000532672339 504731486 /nfs/dbraw/zinc/73/14/86/504731486.db2.gz JGQPDUAZTFARPV-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000532672339 504731500 /nfs/dbraw/zinc/73/15/00/504731500.db2.gz JGQPDUAZTFARPV-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cccc(-c3ccccn3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000532672339 504731505 /nfs/dbraw/zinc/73/15/05/504731505.db2.gz JGQPDUAZTFARPV-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000539894560 504733248 /nfs/dbraw/zinc/73/32/48/504733248.db2.gz AMZVEWGYCBOSAZ-BHIFYINESA-N 2 1 373.585 3.328 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000521427223 504734587 /nfs/dbraw/zinc/73/45/87/504734587.db2.gz HWFOFGDFQSBWKK-MSOLQXFVSA-N 2 1 355.526 3.155 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000521427223 504734593 /nfs/dbraw/zinc/73/45/93/504734593.db2.gz HWFOFGDFQSBWKK-MSOLQXFVSA-N 2 1 355.526 3.155 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1C ZINC000521511951 504750302 /nfs/dbraw/zinc/75/03/02/504750302.db2.gz HFKUTABJUVVADF-MJGOQNOKSA-N 2 1 369.509 3.202 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000565047125 504780595 /nfs/dbraw/zinc/78/05/95/504780595.db2.gz NMXAFCAVNAOTLH-IFMALSPDSA-N 2 1 367.537 3.191 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000556076509 504791339 /nfs/dbraw/zinc/79/13/39/504791339.db2.gz OJKPTUJSGQTLDG-PZJWPPBQSA-N 2 1 359.558 3.301 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000556239023 504825827 /nfs/dbraw/zinc/82/58/27/504825827.db2.gz ATPPUWWIMWHZJR-IIBYNOLFSA-N 2 1 373.516 3.342 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC000562477810 504832481 /nfs/dbraw/zinc/83/24/81/504832481.db2.gz PWPSSUGJIBNMGX-FCHUYYIVSA-N 2 1 351.494 3.162 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[C@H](c4ccncc4)C3)C2)cc1 ZINC000562477810 504832483 /nfs/dbraw/zinc/83/24/83/504832483.db2.gz PWPSSUGJIBNMGX-FCHUYYIVSA-N 2 1 351.494 3.162 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000559517395 504879371 /nfs/dbraw/zinc/87/93/71/504879371.db2.gz GXIDTMUYBSAQTD-KRWDZBQOSA-N 2 1 362.477 3.496 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000562624040 504884200 /nfs/dbraw/zinc/88/42/00/504884200.db2.gz VSBGDBHUQBPACX-FQEVSTJZSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[N@H+]2CCCC[C@H]2C)cc1F ZINC000549755904 504889342 /nfs/dbraw/zinc/88/93/42/504889342.db2.gz NPSMZWRLPBKQLE-OAHLLOKOSA-N 2 1 358.461 3.201 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000549755904 504889346 /nfs/dbraw/zinc/88/93/46/504889346.db2.gz NPSMZWRLPBKQLE-OAHLLOKOSA-N 2 1 358.461 3.201 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599115 504933906 /nfs/dbraw/zinc/93/39/06/504933906.db2.gz KOHPGCZEHJGYKZ-WIYYLYMNSA-N 2 1 365.521 3.484 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599115 504933912 /nfs/dbraw/zinc/93/39/12/504933912.db2.gz KOHPGCZEHJGYKZ-WIYYLYMNSA-N 2 1 365.521 3.484 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513801 504937177 /nfs/dbraw/zinc/93/71/77/504937177.db2.gz OIJGXCMVNRZBRE-YLJYHZDGSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513801 504937182 /nfs/dbraw/zinc/93/71/82/504937182.db2.gz OIJGXCMVNRZBRE-YLJYHZDGSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)CC2 ZINC000553513801 504937186 /nfs/dbraw/zinc/93/71/86/504937186.db2.gz OIJGXCMVNRZBRE-YLJYHZDGSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1cc(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000562919042 504987617 /nfs/dbraw/zinc/98/76/17/504987617.db2.gz FCZFHYKPBZMCGS-GOSISDBHSA-N 2 1 363.465 3.286 20 0 FGADMP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000562919042 504987618 /nfs/dbraw/zinc/98/76/18/504987618.db2.gz FCZFHYKPBZMCGS-GOSISDBHSA-N 2 1 363.465 3.286 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000565865603 505009296 /nfs/dbraw/zinc/00/92/96/505009296.db2.gz CVSHWSLNFHKOQR-IAGOWNOFSA-N 2 1 366.575 3.305 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000563047898 505033496 /nfs/dbraw/zinc/03/34/96/505033496.db2.gz JWAFBBCNUJZDDD-SFTDATJTSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000557072655 505059224 /nfs/dbraw/zinc/05/92/24/505059224.db2.gz WVKFCHPMWUEPKP-FDDCHVKYSA-N 2 1 365.521 3.242 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000554003991 505064986 /nfs/dbraw/zinc/06/49/86/505064986.db2.gz FFPIRWMATRJGMG-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554003991 505064990 /nfs/dbraw/zinc/06/49/90/505064990.db2.gz FFPIRWMATRJGMG-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000554003991 505064995 /nfs/dbraw/zinc/06/49/95/505064995.db2.gz FFPIRWMATRJGMG-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP COc1ccc2cc([C@@H](C)[NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)ccc2c1 ZINC000566063305 505069292 /nfs/dbraw/zinc/06/92/92/505069292.db2.gz OEGYXTOPCXDNTG-CQSZACIVSA-N 2 1 365.481 3.284 20 0 FGADMP COC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccc1 ZINC000554050850 505076201 /nfs/dbraw/zinc/07/62/01/505076201.db2.gz VUHFSFATBDERJL-PKTZIBPZSA-N 2 1 367.537 3.343 20 0 FGADMP COC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000554073610 505081573 /nfs/dbraw/zinc/08/15/73/505081573.db2.gz YZBYPYDVHJBZGE-GOSISDBHSA-N 2 1 371.928 3.030 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1cccs1 ZINC000550665139 505081951 /nfs/dbraw/zinc/08/19/51/505081951.db2.gz DVPQKVSIINVRHI-KBXCAEBGSA-N 2 1 354.479 3.209 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000566110667 505084452 /nfs/dbraw/zinc/08/44/52/505084452.db2.gz OEXJKXBZTDPBND-KRWDZBQOSA-N 2 1 372.538 3.282 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000566110667 505084459 /nfs/dbraw/zinc/08/44/59/505084459.db2.gz OEXJKXBZTDPBND-KRWDZBQOSA-N 2 1 372.538 3.282 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCO1 ZINC000563300009 505100904 /nfs/dbraw/zinc/10/09/04/505100904.db2.gz ABLMWMQYJISVSS-JBACZVJFSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000557272631 505102572 /nfs/dbraw/zinc/10/25/72/505102572.db2.gz CLCWLFBFONJOPI-VOQZNFBZSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000557272631 505102576 /nfs/dbraw/zinc/10/25/76/505102576.db2.gz CLCWLFBFONJOPI-VOQZNFBZSA-N 2 1 356.485 3.229 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000554145696 505104912 /nfs/dbraw/zinc/10/49/12/505104912.db2.gz VNMRRMUNMHTKMP-ZCNNSNEGSA-N 2 1 358.530 3.252 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000560524500 505114824 /nfs/dbraw/zinc/11/48/24/505114824.db2.gz DFLANTLPYIIMKQ-NJDAHSKKSA-N 2 1 369.553 3.313 20 0 FGADMP Cc1cnc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000557406994 505127707 /nfs/dbraw/zinc/12/77/07/505127707.db2.gz FTCGRZPOZNFPFI-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP Cc1cnc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)s1 ZINC000557406994 505127711 /nfs/dbraw/zinc/12/77/11/505127711.db2.gz FTCGRZPOZNFPFI-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460602 505146262 /nfs/dbraw/zinc/14/62/62/505146262.db2.gz MEKNOJATOKCOEX-HNNXBMFYSA-N 2 1 371.485 3.442 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4F)s3)C2)nn1 ZINC000563460603 505146528 /nfs/dbraw/zinc/14/65/28/505146528.db2.gz MEKNOJATOKCOEX-OAHLLOKOSA-N 2 1 371.485 3.442 20 0 FGADMP COC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000554347351 505151122 /nfs/dbraw/zinc/15/11/22/505151122.db2.gz RRYWJSZERCHVOW-MOPGFXCFSA-N 2 1 359.539 3.014 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417669 505169110 /nfs/dbraw/zinc/16/91/10/505169110.db2.gz SSBQMBWARHZOEM-FYYLOGMGSA-N 2 1 371.569 3.336 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417669 505169113 /nfs/dbraw/zinc/16/91/13/505169113.db2.gz SSBQMBWARHZOEM-FYYLOGMGSA-N 2 1 371.569 3.336 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H]1n1cccn1 ZINC000551321144 505201168 /nfs/dbraw/zinc/20/11/68/505201168.db2.gz ZDYCXPUCJIMATB-JWOSDPRPSA-N 2 1 365.481 3.447 20 0 FGADMP Cc1nc([C@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000560897334 505208971 /nfs/dbraw/zinc/20/89/71/505208971.db2.gz CJKJETRZGBHCGC-HNNXBMFYSA-N 2 1 372.538 3.128 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCCC[NH+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000563680616 505209600 /nfs/dbraw/zinc/20/96/00/505209600.db2.gz AQIJVTXSSOIFHL-VFPNFYTQSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000563680616 505209604 /nfs/dbraw/zinc/20/96/04/505209604.db2.gz AQIJVTXSSOIFHL-VFPNFYTQSA-N 2 1 364.574 3.017 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH+]1CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000563680616 505209607 /nfs/dbraw/zinc/20/96/07/505209607.db2.gz AQIJVTXSSOIFHL-VFPNFYTQSA-N 2 1 364.574 3.017 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000560910606 505210572 /nfs/dbraw/zinc/21/05/72/505210572.db2.gz VRZNNRZBANCUCC-HXUWFJFHSA-N 2 1 352.478 3.253 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(Cl)cc1 ZINC000563701283 505215506 /nfs/dbraw/zinc/21/55/06/505215506.db2.gz QVSPHEITDBYFQW-FTEYMNFISA-N 2 1 355.869 3.346 20 0 FGADMP Clc1c[nH+]ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000560997644 505225785 /nfs/dbraw/zinc/22/57/85/505225785.db2.gz HLPSLOHQBQDUSL-GOSISDBHSA-N 2 1 371.912 3.498 20 0 FGADMP Clc1c[nH+]ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000560997644 505225786 /nfs/dbraw/zinc/22/57/86/505225786.db2.gz HLPSLOHQBQDUSL-GOSISDBHSA-N 2 1 371.912 3.498 20 0 FGADMP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000563951213 505285877 /nfs/dbraw/zinc/28/58/77/505285877.db2.gz RNJQUJOIZNTJHC-KRWDZBQOSA-N 2 1 371.447 3.128 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566855174 505292594 /nfs/dbraw/zinc/29/25/94/505292594.db2.gz VKPRDYRVYLMEMI-SFTDATJTSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@@H]2CCCCO2)c1)C[C@@H]1CCCCO1 ZINC000566896150 505304154 /nfs/dbraw/zinc/30/41/54/505304154.db2.gz ZTYJYGRLXULPGA-SFTDATJTSA-N 2 1 361.530 3.083 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000566902288 505306949 /nfs/dbraw/zinc/30/69/49/505306949.db2.gz NHRMMEUPNGJFEI-QGZVFWFLSA-N 2 1 355.486 3.317 20 0 FGADMP C[NH+](C)C[C@@H](N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252369 505344893 /nfs/dbraw/zinc/34/48/93/505344893.db2.gz LCGVDDOCYLVFNR-FGZHOGPDSA-N 2 1 355.501 3.335 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2(OC)CCC(c3ccccc3)CC2)CC1 ZINC000558258134 505346171 /nfs/dbraw/zinc/34/61/71/505346171.db2.gz QPBKQVGWHQUZAC-UHFFFAOYSA-N 2 1 360.542 3.430 20 0 FGADMP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000552056636 505383843 /nfs/dbraw/zinc/38/38/43/505383843.db2.gz MHSPAPPUPFODCL-UDFFUHSHSA-N 2 1 372.553 3.197 20 0 FGADMP CCOC1CC(O)(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000552056635 505384114 /nfs/dbraw/zinc/38/41/14/505384114.db2.gz MHSPAPPUPFODCL-PZYNUVDYSA-N 2 1 372.553 3.197 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000552063308 505387059 /nfs/dbraw/zinc/38/70/59/505387059.db2.gz VXKOQCNBYYBOAC-JZGRTCEGSA-N 2 1 370.459 3.319 20 0 FGADMP C[C@H](CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000561608807 505389695 /nfs/dbraw/zinc/38/96/95/505389695.db2.gz JUCIBILHSMPGDF-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000561638909 505397428 /nfs/dbraw/zinc/39/74/28/505397428.db2.gz CGUOHJNHVYYAHP-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000561638909 505397432 /nfs/dbraw/zinc/39/74/32/505397432.db2.gz CGUOHJNHVYYAHP-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561638909 505397435 /nfs/dbraw/zinc/39/74/35/505397435.db2.gz CGUOHJNHVYYAHP-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000561784857 505437305 /nfs/dbraw/zinc/43/73/05/505437305.db2.gz LKRQRCVNCJXDJP-WOJBJXKFSA-N 2 1 369.553 3.444 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC000567515845 505485785 /nfs/dbraw/zinc/48/57/85/505485785.db2.gz DISSCYYAJLERAC-VVWQDTPRSA-N 2 1 363.933 3.022 20 0 FGADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000567608921 505512936 /nfs/dbraw/zinc/51/29/36/505512936.db2.gz URWIDIHDQSROQN-NHCUHLMSSA-N 2 1 357.542 3.455 20 0 FGADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935237 505561146 /nfs/dbraw/zinc/56/11/46/505561146.db2.gz SQRHEKGSKYCDOO-HEFCMCLBSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935237 505561150 /nfs/dbraw/zinc/56/11/50/505561150.db2.gz SQRHEKGSKYCDOO-HEFCMCLBSA-N 2 1 363.933 3.227 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]21 ZINC000564987694 505565411 /nfs/dbraw/zinc/56/54/11/505565411.db2.gz GTLLROFKNNWDGV-HQHYIBOGSA-N 2 1 368.308 3.158 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]21 ZINC000564987694 505565412 /nfs/dbraw/zinc/56/54/12/505565412.db2.gz GTLLROFKNNWDGV-HQHYIBOGSA-N 2 1 368.308 3.158 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870483 505569487 /nfs/dbraw/zinc/56/94/87/505569487.db2.gz DFDMABOFUSPJGB-MJGOQNOKSA-N 2 1 352.478 3.412 20 0 FGADMP CC(C)(C)N1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904260 506481960 /nfs/dbraw/zinc/48/19/60/506481960.db2.gz JBFNGVNTSFQUJI-OALUTQOASA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)(C)N1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904260 506481965 /nfs/dbraw/zinc/48/19/65/506481965.db2.gz JBFNGVNTSFQUJI-OALUTQOASA-N 2 1 355.526 3.173 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000589209025 506485037 /nfs/dbraw/zinc/48/50/37/506485037.db2.gz KMORRMCRIVOUFN-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000589209025 506485044 /nfs/dbraw/zinc/48/50/44/506485044.db2.gz KMORRMCRIVOUFN-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000589209025 506485048 /nfs/dbraw/zinc/48/50/48/506485048.db2.gz KMORRMCRIVOUFN-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)C(C)C ZINC000608616173 506633535 /nfs/dbraw/zinc/63/35/35/506633535.db2.gz VNMHOSVVPPHVLO-FQEVSTJZSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CC[NH3+] ZINC000583211171 506651995 /nfs/dbraw/zinc/65/19/95/506651995.db2.gz SOMFTNGFXDZTBS-HXUWFJFHSA-N 2 1 365.521 3.172 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673414 506659293 /nfs/dbraw/zinc/65/92/93/506659293.db2.gz OLSDHCQQXHGOAG-PZJWPPBQSA-N 2 1 372.557 3.040 20 0 FGADMP C[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693368 506668918 /nfs/dbraw/zinc/66/89/18/506668918.db2.gz PWDDOPOZTXNQEA-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP CCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000597027991 506738484 /nfs/dbraw/zinc/73/84/84/506738484.db2.gz ZJHSIQZXUBOUOS-OAQYLSRUSA-N 2 1 359.558 3.384 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193598 506745535 /nfs/dbraw/zinc/74/55/35/506745535.db2.gz BEXPVYRRFXAPDN-FPOVZHCZSA-N 2 1 372.557 3.245 20 0 FGADMP COC(=O)c1oc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1C ZINC000597058053 506755628 /nfs/dbraw/zinc/75/56/28/506755628.db2.gz SUPVCTVICWUZCL-UHFFFAOYSA-N 2 1 372.465 3.139 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C(C)C ZINC000590355623 506803150 /nfs/dbraw/zinc/80/31/50/506803150.db2.gz YWACXGPMNNYCIO-UHFFFAOYSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963357 506842540 /nfs/dbraw/zinc/84/25/40/506842540.db2.gz MWPIAEHQDUUWCT-XLIONFOSSA-N 2 1 370.541 3.002 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594105047 506941573 /nfs/dbraw/zinc/94/15/73/506941573.db2.gz WYUQRGYNLLJWOF-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1ccc(CC[NH+]3CCCCC3)cc1)CC2 ZINC000583876220 507024637 /nfs/dbraw/zinc/02/46/37/507024637.db2.gz JZSZKEFYYCHVPX-LJQANCHMSA-N 2 1 366.509 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000583880140 507028426 /nfs/dbraw/zinc/02/84/26/507028426.db2.gz OJSFASYJLQCDKN-MRXNPFEDSA-N 2 1 369.444 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000583880140 507028430 /nfs/dbraw/zinc/02/84/30/507028430.db2.gz OJSFASYJLQCDKN-MRXNPFEDSA-N 2 1 369.444 3.421 20 0 FGADMP Cc1cccc(CNC(=O)C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000600625018 507036981 /nfs/dbraw/zinc/03/69/81/507036981.db2.gz FKKULWLNCDWGER-UHFFFAOYSA-N 2 1 357.542 3.199 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000613493174 507116957 /nfs/dbraw/zinc/11/69/57/507116957.db2.gz YGJAFGUAAGSOPF-WSTZPKSXSA-N 2 1 351.579 3.371 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061639 507131949 /nfs/dbraw/zinc/13/19/49/507131949.db2.gz QRDBPDHOZPEOHB-QAPCUYQASA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061639 507131953 /nfs/dbraw/zinc/13/19/53/507131953.db2.gz QRDBPDHOZPEOHB-QAPCUYQASA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000600835570 507140813 /nfs/dbraw/zinc/14/08/13/507140813.db2.gz FUAIFKHEQCAAKB-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887431 507163159 /nfs/dbraw/zinc/16/31/59/507163159.db2.gz KIOWWDJOXJGVEP-UYAOXDASSA-N 2 1 374.573 3.489 20 0 FGADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000605374245 507165193 /nfs/dbraw/zinc/16/51/93/507165193.db2.gz SQXAHKKCIFZTBS-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584229986 507227465 /nfs/dbraw/zinc/22/74/65/507227465.db2.gz CUUVTZNKGWHXBI-FCEWJHQRSA-N 2 1 361.530 3.259 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000584229986 507227470 /nfs/dbraw/zinc/22/74/70/507227470.db2.gz CUUVTZNKGWHXBI-FCEWJHQRSA-N 2 1 361.530 3.259 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591430852 507247849 /nfs/dbraw/zinc/24/78/49/507247849.db2.gz VRZGAMGCFWQSFV-MOPGFXCFSA-N 2 1 373.541 3.154 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)CC1 ZINC000584319296 507277088 /nfs/dbraw/zinc/27/70/88/507277088.db2.gz WKMXYHLTRAULHZ-UHFFFAOYSA-N 2 1 370.566 3.270 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290283 507324698 /nfs/dbraw/zinc/32/46/98/507324698.db2.gz KASFSTFWBPGHOX-LEWJYISDSA-N 2 1 370.541 3.010 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594962080 507332702 /nfs/dbraw/zinc/33/27/02/507332702.db2.gz PMVGDPVEVWCMLC-IECBHUPTSA-N 2 1 350.572 3.424 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1 ZINC000594962080 507332707 /nfs/dbraw/zinc/33/27/07/507332707.db2.gz PMVGDPVEVWCMLC-IECBHUPTSA-N 2 1 350.572 3.424 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)CSCCF)CC1 ZINC000595009131 507352629 /nfs/dbraw/zinc/35/26/29/507352629.db2.gz DNRQFMUCFIBURO-QGZVFWFLSA-N 2 1 353.551 3.005 20 0 FGADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000595020122 507356597 /nfs/dbraw/zinc/35/65/97/507356597.db2.gz URWGYZURMSQZFO-KRWDZBQOSA-N 2 1 368.562 3.368 20 0 FGADMP COC(=O)CC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595093401 507387664 /nfs/dbraw/zinc/38/76/64/507387664.db2.gz ATKIUOKHGPTRIS-IOJLRTSASA-N 2 1 356.510 3.220 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000595140664 507407560 /nfs/dbraw/zinc/40/75/60/507407560.db2.gz LZUWJAUUPFBRPP-XLIONFOSSA-N 2 1 353.514 3.089 20 0 FGADMP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584663722 507438124 /nfs/dbraw/zinc/43/81/24/507438124.db2.gz KBSCJTPUZNYWLH-QFIPXVFZSA-N 2 1 365.521 3.137 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCCCC1 ZINC000606625113 507456827 /nfs/dbraw/zinc/45/68/27/507456827.db2.gz WDTMTZRZXSKMEW-UHFFFAOYSA-N 2 1 364.578 3.301 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606684420 507478277 /nfs/dbraw/zinc/47/82/77/507478277.db2.gz VHWFYMKQCHPOMO-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606684420 507478282 /nfs/dbraw/zinc/47/82/82/507478282.db2.gz VHWFYMKQCHPOMO-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606684420 507478288 /nfs/dbraw/zinc/47/82/88/507478288.db2.gz VHWFYMKQCHPOMO-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606903160 507551245 /nfs/dbraw/zinc/55/12/45/507551245.db2.gz ILFRXGRWBJAWPW-TZIWHRDSSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606903160 507551249 /nfs/dbraw/zinc/55/12/49/507551249.db2.gz ILFRXGRWBJAWPW-TZIWHRDSSA-N 2 1 374.569 3.450 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000607143537 507629544 /nfs/dbraw/zinc/62/95/44/507629544.db2.gz UTUCACDODAABLS-CALCHBBNSA-N 2 1 353.514 3.055 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000607143537 507629549 /nfs/dbraw/zinc/62/95/49/507629549.db2.gz UTUCACDODAABLS-CALCHBBNSA-N 2 1 353.514 3.055 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426302 507653661 /nfs/dbraw/zinc/65/36/61/507653661.db2.gz SDUMHOMJNMJADU-DOTOQJQBSA-N 2 1 372.465 3.192 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592426302 507653669 /nfs/dbraw/zinc/65/36/69/507653669.db2.gz SDUMHOMJNMJADU-DOTOQJQBSA-N 2 1 372.465 3.192 20 0 FGADMP COc1cccc([C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+](C)C)c1 ZINC000498876665 515097042 /nfs/dbraw/zinc/09/70/42/515097042.db2.gz QHSNAQVCQIUIJP-GOSISDBHSA-N 2 1 355.486 3.190 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)N1CCCCCC1 ZINC000390843098 568319778 /nfs/dbraw/zinc/31/97/78/568319778.db2.gz DUZHAFLBYBDARS-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000736275182 599338069 /nfs/dbraw/zinc/33/80/69/599338069.db2.gz HYMAUJFMXRGQPV-QZTJIDSGSA-N 2 1 368.529 3.372 20 0 FGADMP Cc1cccc2c(NCCC[NH+](C(C)C)C(C)C)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336882 606042728 /nfs/dbraw/zinc/04/27/28/606042728.db2.gz SMZIKLSFFWHFSU-UHFFFAOYSA-N 2 1 367.501 3.066 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935389 608501616 /nfs/dbraw/zinc/50/16/16/608501616.db2.gz ALDDJFLSUOOAHW-OXQOHEQNSA-N 2 1 368.529 3.488 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(C)C ZINC000824288476 608515878 /nfs/dbraw/zinc/51/58/78/608515878.db2.gz IBNRJAKIPUHNFI-LJQANCHMSA-N 2 1 356.518 3.343 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585488 609132836 /nfs/dbraw/zinc/13/28/36/609132836.db2.gz RIIUIGFJUBIGKQ-CABCVRRESA-N 2 1 360.481 3.311 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000089139067 700382516 /nfs/dbraw/zinc/38/25/16/700382516.db2.gz WKBWAAXQPSCWNA-SFHVURJKSA-N 2 1 353.551 3.345 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784108 700505003 /nfs/dbraw/zinc/50/50/03/700505003.db2.gz LLYPHIOCFLNXQC-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000166463414 705344196 /nfs/dbraw/zinc/34/41/96/705344196.db2.gz ILCHYNMUTNTGCT-KURKYZTESA-N 2 1 361.555 3.018 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000166463414 705344203 /nfs/dbraw/zinc/34/42/03/705344203.db2.gz ILCHYNMUTNTGCT-KURKYZTESA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195185665 713548479 /nfs/dbraw/zinc/54/84/79/713548479.db2.gz WSNGCTCCBWLHNR-PXNSSMCTSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195187723 713548538 /nfs/dbraw/zinc/54/85/38/713548538.db2.gz RLMOKTZLICMNLW-KXBFYZLASA-N 2 1 350.507 3.064 20 0 FGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245706821 713610247 /nfs/dbraw/zinc/61/02/47/713610247.db2.gz SCAOXGLYWPZILN-HRBLRVMOSA-N 2 1 351.535 3.333 20 0 FGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245706821 713610249 /nfs/dbraw/zinc/61/02/49/713610249.db2.gz SCAOXGLYWPZILN-HRBLRVMOSA-N 2 1 351.535 3.333 20 0 FGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245706821 713610251 /nfs/dbraw/zinc/61/02/51/713610251.db2.gz SCAOXGLYWPZILN-HRBLRVMOSA-N 2 1 351.535 3.333 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885020 713613225 /nfs/dbraw/zinc/61/32/25/713613225.db2.gz OKBWXXQWXXOKFG-SQNIBIBYSA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246260063 713620651 /nfs/dbraw/zinc/62/06/51/713620651.db2.gz YDWGEHNFNRNJTN-MSOLQXFVSA-N 2 1 351.535 3.051 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000385286413 713983193 /nfs/dbraw/zinc/98/31/93/713983193.db2.gz MYJGIUSOTSWLGJ-ROUUACIJSA-N 2 1 351.535 3.429 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000386011702 713984231 /nfs/dbraw/zinc/98/42/31/713984231.db2.gz UXVJQDIRSMEWHU-DLBZAZTESA-N 2 1 351.535 3.240 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000523351752 714229133 /nfs/dbraw/zinc/22/91/33/714229133.db2.gz GVULAJDMNVODRK-UHFFFAOYSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C(C)(C)C ZINC000523518759 714238586 /nfs/dbraw/zinc/23/85/86/714238586.db2.gz QGLCGKWYPDYAIB-IRXDYDNUSA-N 2 1 351.922 3.401 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812591 714253973 /nfs/dbraw/zinc/25/39/73/714253973.db2.gz MFWIVYLLIIEXDK-SJLPKXTDSA-N 2 1 366.575 3.161 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824546 714498916 /nfs/dbraw/zinc/49/89/16/714498916.db2.gz MIOXQYILOUEKCK-PKOBYXMFSA-N 2 1 362.514 3.292 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824546 714498918 /nfs/dbraw/zinc/49/89/18/714498918.db2.gz MIOXQYILOUEKCK-PKOBYXMFSA-N 2 1 362.514 3.292 20 0 FGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)CC(F)F ZINC000624329108 715512309 /nfs/dbraw/zinc/51/23/09/715512309.db2.gz MGJZRLZMDRNZES-OTWHNJEPSA-N 2 1 351.485 3.216 20 0 FGADMP CN(CCCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000625729536 715781045 /nfs/dbraw/zinc/78/10/45/715781045.db2.gz WBURWEBCMVAMCO-GOSISDBHSA-N 2 1 351.922 3.105 20 0 FGADMP CN(CCCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000625729536 715781052 /nfs/dbraw/zinc/78/10/52/715781052.db2.gz WBURWEBCMVAMCO-GOSISDBHSA-N 2 1 351.922 3.105 20 0 FGADMP C[C@H]1CC(F)(F)CCN1CC1(C[N@H+]2CCC(F)(F)C[C@@H]2C)COC1 ZINC000625980208 715821077 /nfs/dbraw/zinc/82/10/77/715821077.db2.gz JBGIIYLUNFIFBE-KBPBESRZSA-N 2 1 352.416 3.242 20 0 FGADMP C[C@@]1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272122 716133131 /nfs/dbraw/zinc/13/31/31/716133131.db2.gz DRXXXVFWIZSJSX-SFTDATJTSA-N 2 1 359.583 3.164 20 0 FGADMP C[C@@]1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCS1 ZINC000628272121 716133254 /nfs/dbraw/zinc/13/32/54/716133254.db2.gz DRXXXVFWIZSJSX-RTWAWAEBSA-N 2 1 359.583 3.164 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629560092 716307473 /nfs/dbraw/zinc/30/74/73/716307473.db2.gz CSNOAPSMJVKVLP-PWSUYJOCSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629560092 716307479 /nfs/dbraw/zinc/30/74/79/716307479.db2.gz CSNOAPSMJVKVLP-PWSUYJOCSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1C(F)(F)F ZINC000629565850 716310297 /nfs/dbraw/zinc/31/02/97/716310297.db2.gz XSGHWQNUEAIHAH-FZMZJTMJSA-N 2 1 363.811 3.128 20 0 FGADMP COCCCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656629 716330987 /nfs/dbraw/zinc/33/09/87/716330987.db2.gz PULVBVZQTRTTEZ-WBVHZDCISA-N 2 1 360.420 3.061 20 0 FGADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629656629 716330989 /nfs/dbraw/zinc/33/09/89/716330989.db2.gz PULVBVZQTRTTEZ-WBVHZDCISA-N 2 1 360.420 3.061 20 0 FGADMP Fc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000629672129 716333286 /nfs/dbraw/zinc/33/32/86/716333286.db2.gz FJHQUAOITCZKLZ-OAHLLOKOSA-N 2 1 360.395 3.435 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1c1cccs1 ZINC000635602421 717180852 /nfs/dbraw/zinc/18/08/52/717180852.db2.gz GYCQDNXTNWTTDN-FUHWJXTLSA-N 2 1 361.555 3.123 20 0 FGADMP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000638294927 717431632 /nfs/dbraw/zinc/43/16/32/717431632.db2.gz UXTIUSZZPGWZOS-LBPRGKRZSA-N 2 1 358.313 3.072 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360541 717438930 /nfs/dbraw/zinc/43/89/30/717438930.db2.gz UEZLIXQVFSQEDU-RBUKOAKNSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758515 717598863 /nfs/dbraw/zinc/59/88/63/717598863.db2.gz VVYNMHFYEQEUMV-IRXDYDNUSA-N 2 1 361.555 3.218 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC000639757113 717599296 /nfs/dbraw/zinc/59/92/96/717599296.db2.gz FWNAPNCWMSIKEN-UHFFFAOYSA-N 2 1 365.905 3.095 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759857 717599678 /nfs/dbraw/zinc/59/96/78/717599678.db2.gz LXNFLOHVOAXKSS-QGZVFWFLSA-N 2 1 361.555 3.002 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000640568507 717767818 /nfs/dbraw/zinc/76/78/18/717767818.db2.gz SECDTDHWWBFOTH-DLBZAZTESA-N 2 1 355.404 3.096 20 0 FGADMP C[C@H](c1ccc(Cl)cc1Cl)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640992444 717842825 /nfs/dbraw/zinc/84/28/25/717842825.db2.gz WBEQTGDWFMQAAL-GFCCVEGCSA-N 2 1 368.312 3.160 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000644584916 718128901 /nfs/dbraw/zinc/12/89/01/718128901.db2.gz VABQAROBCNLSQH-FPOVZHCZSA-N 2 1 356.535 3.100 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1SCCc2ccccc21 ZINC000644584916 718128904 /nfs/dbraw/zinc/12/89/04/718128904.db2.gz VABQAROBCNLSQH-FPOVZHCZSA-N 2 1 356.535 3.100 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000645121346 718184582 /nfs/dbraw/zinc/18/45/82/718184582.db2.gz YAAPTQYEWYKARZ-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000645121346 718184583 /nfs/dbraw/zinc/18/45/83/718184583.db2.gz YAAPTQYEWYKARZ-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@@H]1CC[N@@H+](C)C1 ZINC000645159427 718188288 /nfs/dbraw/zinc/18/82/88/718188288.db2.gz ALONTSRWORKSLT-MSOLQXFVSA-N 2 1 366.575 3.257 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)CC1 ZINC000647172094 718337431 /nfs/dbraw/zinc/33/74/31/718337431.db2.gz HZXFEMLXBOMVBN-UHFFFAOYSA-N 2 1 351.485 3.492 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)[C@H](c2ccccc2)C1 ZINC000647249261 718343148 /nfs/dbraw/zinc/34/31/48/718343148.db2.gz OBRDRHBMGJAVSH-XLIONFOSSA-N 2 1 352.507 3.369 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(Br)cc1O ZINC000647361097 718352331 /nfs/dbraw/zinc/35/23/31/718352331.db2.gz CQNJZXMFKGLWAS-NWANDNLSSA-N 2 1 369.303 3.126 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(Br)cc1O ZINC000647361097 718352332 /nfs/dbraw/zinc/35/23/32/718352332.db2.gz CQNJZXMFKGLWAS-NWANDNLSSA-N 2 1 369.303 3.126 20 0 FGADMP O=C(c1ccc(Cl)cc1F)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647884141 718382959 /nfs/dbraw/zinc/38/29/59/718382959.db2.gz RJKWVMCLVKMCNA-UHFFFAOYSA-N 2 1 367.896 3.017 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)C1 ZINC000649288210 718501255 /nfs/dbraw/zinc/50/12/55/718501255.db2.gz CZHSPBRXZWOHIW-WMLDXEAASA-N 2 1 351.441 3.102 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311556 718503270 /nfs/dbraw/zinc/50/32/70/718503270.db2.gz ZFEAMDCAHLFXLJ-MDZRGWNJSA-N 2 1 363.933 3.453 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[N@@H+]1Cc1ccccc1 ZINC000649343597 718505644 /nfs/dbraw/zinc/50/56/44/718505644.db2.gz JABQLMZYZZYFKA-ZMYBRWDISA-N 2 1 357.885 3.119 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[N@H+]1Cc1ccccc1 ZINC000649343597 718505648 /nfs/dbraw/zinc/50/56/48/718505648.db2.gz JABQLMZYZZYFKA-ZMYBRWDISA-N 2 1 357.885 3.119 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722658 718720500 /nfs/dbraw/zinc/72/05/00/718720500.db2.gz YTAGWNGZQYVFRJ-COXVUDFISA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722658 718720502 /nfs/dbraw/zinc/72/05/02/718720502.db2.gz YTAGWNGZQYVFRJ-COXVUDFISA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000650722651 718720607 /nfs/dbraw/zinc/72/06/07/718720607.db2.gz YRIUKKHANQJHOE-MGPQQGTHSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000650722651 718720610 /nfs/dbraw/zinc/72/06/10/718720610.db2.gz YRIUKKHANQJHOE-MGPQQGTHSA-N 2 1 359.333 3.371 20 0 FGADMP CC[N@@H+](CCCNC(=O)N[C@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000650895290 718741520 /nfs/dbraw/zinc/74/15/20/718741520.db2.gz WASOSTFLTDHTGC-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220057 718784096 /nfs/dbraw/zinc/78/40/96/718784096.db2.gz QXDLJMSQWGPWSE-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220057 718784100 /nfs/dbraw/zinc/78/41/00/718784100.db2.gz QXDLJMSQWGPWSE-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)C1CCCCC1 ZINC000651220057 718784105 /nfs/dbraw/zinc/78/41/05/718784105.db2.gz QXDLJMSQWGPWSE-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC000651220059 718784140 /nfs/dbraw/zinc/78/41/40/718784140.db2.gz QXDLJMSQWGPWSE-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000651220059 718784143 /nfs/dbraw/zinc/78/41/43/718784143.db2.gz QXDLJMSQWGPWSE-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000651220059 718784147 /nfs/dbraw/zinc/78/41/47/718784147.db2.gz QXDLJMSQWGPWSE-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348511 718935226 /nfs/dbraw/zinc/93/52/26/718935226.db2.gz GZLYHGVSGLYRSQ-BXWFABGCSA-N 2 1 350.528 3.006 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652349619 718935416 /nfs/dbraw/zinc/93/54/16/718935416.db2.gz VNRDPBZXCSDZMV-YNEHKIRRSA-N 2 1 363.449 3.189 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362257 718936720 /nfs/dbraw/zinc/93/67/20/718936720.db2.gz BKSSGFALQXJPCT-QRQLOZEOSA-N 2 1 352.906 3.470 20 0 FGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(-n2c(C)nc3c2CC[NH2+]CC3)nc1 ZINC001164427134 718949277 /nfs/dbraw/zinc/94/92/77/718949277.db2.gz BFLVCMKLNOMAIW-LJQANCHMSA-N 2 1 353.514 3.201 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845346 719239669 /nfs/dbraw/zinc/23/96/69/719239669.db2.gz IZOZDRVTFZDFRS-QAPCUYQASA-N 2 1 351.922 3.133 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655711820 719328520 /nfs/dbraw/zinc/32/85/20/719328520.db2.gz NFASYTMRWUHJMC-UYAOXDASSA-N 2 1 351.579 3.120 20 0 FGADMP Brc1c2ccccc2oc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000655712788 719328611 /nfs/dbraw/zinc/32/86/11/719328611.db2.gz VBWZBUMTOTZWCB-UHFFFAOYSA-N 2 1 367.287 3.397 20 0 FGADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000655776827 719338303 /nfs/dbraw/zinc/33/83/03/719338303.db2.gz PJPTXDYUCULNKX-ZDUSSCGKSA-N 2 1 365.319 3.231 20 0 FGADMP c1csc(C[N@H+]2CCOC3(CCN(c4cc5[nH]ccc5c[nH+]4)CC3)C2)c1 ZINC001164694709 719887446 /nfs/dbraw/zinc/88/74/46/719887446.db2.gz CUOMPIJSZJKVIP-UHFFFAOYSA-N 2 1 368.506 3.496 20 0 FGADMP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCCn1cc[nH+]c1C ZINC000782094288 724628262 /nfs/dbraw/zinc/62/82/62/724628262.db2.gz ACLKKVCYUXQSLB-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCCn1cc[nH+]c1C ZINC000782094288 724628264 /nfs/dbraw/zinc/62/82/64/724628264.db2.gz ACLKKVCYUXQSLB-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP C[C@@H]1CN(CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000660007129 719971140 /nfs/dbraw/zinc/97/11/40/719971140.db2.gz HFRZQOYEGWPHRA-XUVXKRRUSA-N 2 1 351.579 3.072 20 0 FGADMP CO[C@H](C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993458 /nfs/dbraw/zinc/99/34/58/719993458.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@H](C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993459 /nfs/dbraw/zinc/99/34/59/719993459.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@H](C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124243 719993462 /nfs/dbraw/zinc/99/34/62/719993462.db2.gz GPCMFSVUDFRCOY-NJDAHSKKSA-N 2 1 352.563 3.403 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659899 720094448 /nfs/dbraw/zinc/09/44/48/720094448.db2.gz SARWNMQYLJTMSV-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659899 720094451 /nfs/dbraw/zinc/09/44/51/720094451.db2.gz SARWNMQYLJTMSV-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659899 720094457 /nfs/dbraw/zinc/09/44/57/720094457.db2.gz SARWNMQYLJTMSV-WMZOPIPTSA-N 2 1 356.432 3.027 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272045 720408129 /nfs/dbraw/zinc/40/81/29/720408129.db2.gz BYRYEEAUOXPTEB-UONOGXRCSA-N 2 1 368.319 3.064 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662272045 720408130 /nfs/dbraw/zinc/40/81/30/720408130.db2.gz BYRYEEAUOXPTEB-UONOGXRCSA-N 2 1 368.319 3.064 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1Cc1ncc(Br)cc1Cl)CC[NH2+]CC2 ZINC000662282409 720409517 /nfs/dbraw/zinc/40/95/17/720409517.db2.gz HNEBLRFZBOJYSM-LLVKDONJSA-N 2 1 358.711 3.462 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1ncc(Br)cc1Cl)CC[NH2+]CC2 ZINC000662282409 720409519 /nfs/dbraw/zinc/40/95/19/720409519.db2.gz HNEBLRFZBOJYSM-LLVKDONJSA-N 2 1 358.711 3.462 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286860 720409900 /nfs/dbraw/zinc/40/99/00/720409900.db2.gz STDNGKOQSSZBKY-SRCQZFHVSA-N 2 1 358.404 3.145 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000662295598 720411536 /nfs/dbraw/zinc/41/15/36/720411536.db2.gz VPORJPYORIBULJ-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP Cc1ccc(SCCNC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662314594 720414607 /nfs/dbraw/zinc/41/46/07/720414607.db2.gz OHZRQKPNZXRSJS-IEBWSBKVSA-N 2 1 363.571 3.043 20 0 FGADMP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662536100 720439308 /nfs/dbraw/zinc/43/93/08/720439308.db2.gz RZYGNBVHBTVDGB-MRXNPFEDSA-N 2 1 358.313 3.072 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589328 720443965 /nfs/dbraw/zinc/44/39/65/720443965.db2.gz AXQURVISKOPTHK-WBMJQRKESA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1Cl ZINC000662589328 720443970 /nfs/dbraw/zinc/44/39/70/720443970.db2.gz AXQURVISKOPTHK-WBMJQRKESA-N 2 1 372.340 3.491 20 0 FGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc4[nH]ccc4c[nH+]3)CC[C@@H]21 ZINC001164834897 720516070 /nfs/dbraw/zinc/51/60/70/720516070.db2.gz HXCMWUJKWLKKBC-HBFSDRIKSA-N 2 1 364.497 3.137 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(F)(F)F)cc1 ZINC000665291917 720751081 /nfs/dbraw/zinc/75/10/81/720751081.db2.gz OAQDIYRUUMPARI-INIZCTEOSA-N 2 1 354.376 3.147 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665639198 720794575 /nfs/dbraw/zinc/79/45/75/720794575.db2.gz PLZOYBUHGDNDJB-DOTOQJQBSA-N 2 1 366.575 3.039 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665639198 720794580 /nfs/dbraw/zinc/79/45/80/720794580.db2.gz PLZOYBUHGDNDJB-DOTOQJQBSA-N 2 1 366.575 3.039 20 0 FGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCC3)cc[nH+]1)[C@H]2C ZINC001164856277 720979189 /nfs/dbraw/zinc/97/91/89/720979189.db2.gz AOKNKZGKPRKPGZ-KRWDZBQOSA-N 2 1 368.529 3.300 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000667727797 721165137 /nfs/dbraw/zinc/16/51/37/721165137.db2.gz JVKJDMVICURSEZ-MAUKXSAKSA-N 2 1 358.511 3.411 20 0 FGADMP O=C(Nc1cccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1)c1ccccc1Cl ZINC000678343060 721953093 /nfs/dbraw/zinc/95/30/93/721953093.db2.gz MIHAGZIOGNSLAA-HOTGVXAUSA-N 2 1 355.869 3.244 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000678747492 721975482 /nfs/dbraw/zinc/97/54/82/721975482.db2.gz YYDSCOMLGKVZRP-SJLPKXTDSA-N 2 1 350.503 3.245 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000678747492 721975484 /nfs/dbraw/zinc/97/54/84/721975484.db2.gz YYDSCOMLGKVZRP-SJLPKXTDSA-N 2 1 350.503 3.245 20 0 FGADMP c1cn(-c2cc[nH+]c(N3CCC4(CC[N@H+](Cc5cccnc5)C4)CC3)c2)cn1 ZINC001164964240 722023589 /nfs/dbraw/zinc/02/35/89/722023589.db2.gz VYCOXXNUNNMQPY-UHFFFAOYSA-N 2 1 374.492 3.155 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000685004236 722371039 /nfs/dbraw/zinc/37/10/39/722371039.db2.gz MAGBRAZKIYOEOA-CQSZACIVSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000685004236 722371040 /nfs/dbraw/zinc/37/10/40/722371040.db2.gz MAGBRAZKIYOEOA-CQSZACIVSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855535 722571941 /nfs/dbraw/zinc/57/19/41/722571941.db2.gz QZHLYXBIPNBPEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855535 722571942 /nfs/dbraw/zinc/57/19/42/722571942.db2.gz QZHLYXBIPNBPEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855535 722571943 /nfs/dbraw/zinc/57/19/43/722571943.db2.gz QZHLYXBIPNBPEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855535 722571944 /nfs/dbraw/zinc/57/19/44/722571944.db2.gz QZHLYXBIPNBPEE-DLBZAZTESA-N 2 1 355.320 3.289 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc12 ZINC000750282152 722761218 /nfs/dbraw/zinc/76/12/18/722761218.db2.gz BQZVPMONFJVXKN-UHFFFAOYSA-N 2 1 361.921 3.238 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C[NH2+]CC(C)(C)[NH+]2CCCCC2)CC1 ZINC000760655097 723076099 /nfs/dbraw/zinc/07/60/99/723076099.db2.gz JPFNDBOGACBQQM-UHFFFAOYSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000760657669 723076463 /nfs/dbraw/zinc/07/64/63/723076463.db2.gz PULBGGSKLGADCZ-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000760657669 723076469 /nfs/dbraw/zinc/07/64/69/723076469.db2.gz PULBGGSKLGADCZ-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760674151 723080366 /nfs/dbraw/zinc/08/03/66/723080366.db2.gz FBVRGEYDVFXQGG-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760674151 723080371 /nfs/dbraw/zinc/08/03/71/723080371.db2.gz FBVRGEYDVFXQGG-SFHVURJKSA-N 2 1 353.551 3.488 20 0 FGADMP CN(CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000760835255 723096904 /nfs/dbraw/zinc/09/69/04/723096904.db2.gz LWCNDSUEFJUGDY-GOSISDBHSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@H](Cc1cccc(F)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000764467876 723416125 /nfs/dbraw/zinc/41/61/25/723416125.db2.gz YZJNXEANJMBBRI-APWZRJJASA-N 2 1 361.530 3.397 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000767382433 723616999 /nfs/dbraw/zinc/61/69/99/723616999.db2.gz JMZINBCURVPIJZ-KRWDZBQOSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000767382433 723617000 /nfs/dbraw/zinc/61/70/00/723617000.db2.gz JMZINBCURVPIJZ-KRWDZBQOSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000767452006 723619710 /nfs/dbraw/zinc/61/97/10/723619710.db2.gz MWPNMJRUFVKBGV-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(Br)cc1 ZINC000767452006 723619713 /nfs/dbraw/zinc/61/97/13/723619713.db2.gz MWPNMJRUFVKBGV-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000796283651 723630093 /nfs/dbraw/zinc/63/00/93/723630093.db2.gz UDAUAXHWLHTUOH-GOSISDBHSA-N 2 1 358.555 3.207 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000796283651 723630094 /nfs/dbraw/zinc/63/00/94/723630094.db2.gz UDAUAXHWLHTUOH-GOSISDBHSA-N 2 1 358.555 3.207 20 0 FGADMP C[N@@H+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796454713 723638471 /nfs/dbraw/zinc/63/84/71/723638471.db2.gz QZHHMFAAORYICJ-HRBLRVMOSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796454713 723638472 /nfs/dbraw/zinc/63/84/72/723638472.db2.gz QZHHMFAAORYICJ-HRBLRVMOSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796454713 723638475 /nfs/dbraw/zinc/63/84/75/723638475.db2.gz QZHHMFAAORYICJ-HRBLRVMOSA-N 2 1 351.535 3.191 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768196151 723650169 /nfs/dbraw/zinc/65/01/69/723650169.db2.gz DPOIWKLCDXKNBY-OAHLLOKOSA-N 2 1 350.507 3.207 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000773135265 723777442 /nfs/dbraw/zinc/77/74/42/723777442.db2.gz CEMVJKBMASJGOI-CCKFTAQKSA-N 2 1 372.912 3.239 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000774992667 723949429 /nfs/dbraw/zinc/94/94/29/723949429.db2.gz SKYHOKJUMRGEMT-UHFFFAOYSA-N 2 1 368.363 3.121 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000798957163 723979572 /nfs/dbraw/zinc/97/95/72/723979572.db2.gz XCKCUUKOXILGLA-UHFFFAOYSA-N 2 1 364.843 3.400 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000798957163 723979574 /nfs/dbraw/zinc/97/95/74/723979574.db2.gz XCKCUUKOXILGLA-UHFFFAOYSA-N 2 1 364.843 3.400 20 0 FGADMP O[C@@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C[NH+]1CCCC1 ZINC000775872588 724076124 /nfs/dbraw/zinc/07/61/24/724076124.db2.gz VSTBJTUMSVYDPX-IRXDYDNUSA-N 2 1 371.294 3.086 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000788243141 725052474 /nfs/dbraw/zinc/05/24/74/725052474.db2.gz IYDVWTBEDWEQCU-KBAYOESNSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788540395 725071664 /nfs/dbraw/zinc/07/16/64/725071664.db2.gz QPTCDZSQRDGIBA-IXDOHACOSA-N 2 1 353.551 3.199 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563619 725073012 /nfs/dbraw/zinc/07/30/12/725073012.db2.gz PZEQNCKQRCEYAO-HZPDHXFCSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563619 725073015 /nfs/dbraw/zinc/07/30/15/725073015.db2.gz PZEQNCKQRCEYAO-HZPDHXFCSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766935 725266652 /nfs/dbraw/zinc/26/66/52/725266652.db2.gz CIEIWYLYHJMCOH-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766935 725266653 /nfs/dbraw/zinc/26/66/53/725266653.db2.gz CIEIWYLYHJMCOH-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCN(C(=O)OC(C)(C)C)C(C)(C)C)C1 ZINC000809766935 725266654 /nfs/dbraw/zinc/26/66/54/725266654.db2.gz CIEIWYLYHJMCOH-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468104 725367767 /nfs/dbraw/zinc/36/77/67/725367767.db2.gz ZSXNXBLDQPHHGY-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468104 725367769 /nfs/dbraw/zinc/36/77/69/725367769.db2.gz ZSXNXBLDQPHHGY-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468104 725367772 /nfs/dbraw/zinc/36/77/72/725367772.db2.gz ZSXNXBLDQPHHGY-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000813326792 726861811 /nfs/dbraw/zinc/86/18/11/726861811.db2.gz XPCMZXVZOUZEKH-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1cc(N2CCC([NH2+]C[C@@H](O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000819136816 727351167 /nfs/dbraw/zinc/35/11/67/727351167.db2.gz OKGSWVUDAFMSHX-GOSISDBHSA-N 2 1 360.889 3.039 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000823413907 729277711 /nfs/dbraw/zinc/27/77/11/729277711.db2.gz OAKHEWWDJPQBBO-HZPDHXFCSA-N 2 1 350.507 3.386 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000823413905 729277919 /nfs/dbraw/zinc/27/79/19/729277919.db2.gz OAKHEWWDJPQBBO-CVEARBPZSA-N 2 1 350.507 3.386 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823736474 729301995 /nfs/dbraw/zinc/30/19/95/729301995.db2.gz CNYUQLGSXCHQEI-OKZBNKHCSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292939 729329019 /nfs/dbraw/zinc/32/90/19/729329019.db2.gz WOLVWIVIEINHRA-KZNAEPCWSA-N 2 1 353.551 3.438 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834496809 729808077 /nfs/dbraw/zinc/80/80/77/729808077.db2.gz QZMQVYGKCSCQBP-QZTJIDSGSA-N 2 1 351.535 3.381 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513347 729808889 /nfs/dbraw/zinc/80/88/89/729808889.db2.gz KYBYIXLCGXZHLA-XLAORIBOSA-N 2 1 351.535 3.381 20 0 FGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895102 729844765 /nfs/dbraw/zinc/84/47/65/729844765.db2.gz YRKVBFWIFCJFOY-OOHRUWKFSA-N 2 1 351.535 3.379 20 0 FGADMP C[C@H]1C[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063121 729854573 /nfs/dbraw/zinc/85/45/73/729854573.db2.gz HJNGQSZXNCYIEM-DLBZAZTESA-N 2 1 353.551 3.486 20 0 FGADMP FC(F)Sc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000841087630 730209357 /nfs/dbraw/zinc/20/93/57/730209357.db2.gz OJLJXZKJELCMDM-UHFFFAOYSA-N 2 1 355.498 3.307 20 0 FGADMP C[N@@H+](Cc1cn(-c2cccc(Cl)c2Cl)nn1)C1CCC([NH3+])CC1 ZINC000843054754 730574622 /nfs/dbraw/zinc/57/46/22/730574622.db2.gz GEPDBMXGEOXXQF-UHFFFAOYSA-N 2 1 354.285 3.276 20 0 FGADMP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCC([NH3+])CC1 ZINC000843055839 730574740 /nfs/dbraw/zinc/57/47/40/730574740.db2.gz QCFSJZDTKUUVPV-UHFFFAOYSA-N 2 1 363.303 3.337 20 0 FGADMP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000845923501 730909592 /nfs/dbraw/zinc/90/95/92/730909592.db2.gz RLXJZKIGRKCNMO-MRLCAUJQSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000845923501 730909594 /nfs/dbraw/zinc/90/95/94/730909594.db2.gz RLXJZKIGRKCNMO-MRLCAUJQSA-N 2 1 353.551 3.390 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848525376 731175222 /nfs/dbraw/zinc/17/52/22/731175222.db2.gz PDQFUZVUVOCDQB-HYVNUMGLSA-N 2 1 350.507 3.253 20 0 FGADMP C[C@H](NC(=[NH2+])NC[C@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112949 731230647 /nfs/dbraw/zinc/23/06/47/731230647.db2.gz GFVIXMXNALNWEA-GXTWGEPZSA-N 2 1 373.328 3.015 20 0 FGADMP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000850357194 731348205 /nfs/dbraw/zinc/34/82/05/731348205.db2.gz AKSGGQBCFYCIRN-IBGZPJMESA-N 2 1 360.885 3.205 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853084554 731662172 /nfs/dbraw/zinc/66/21/72/731662172.db2.gz QWXWFSAGZUIWDP-ROUUACIJSA-N 2 1 351.535 3.098 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3sccc3OC)C2)ccn1 ZINC000856553986 732038425 /nfs/dbraw/zinc/03/84/25/732038425.db2.gz ZIFIDJAUPNFDJG-KRWDZBQOSA-N 2 1 361.511 3.257 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3sccc3OC)C2)ccn1 ZINC000856553986 732038429 /nfs/dbraw/zinc/03/84/29/732038429.db2.gz ZIFIDJAUPNFDJG-KRWDZBQOSA-N 2 1 361.511 3.257 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3sccc3OC)C2)ccn1 ZINC000856553986 732038433 /nfs/dbraw/zinc/03/84/33/732038433.db2.gz ZIFIDJAUPNFDJG-KRWDZBQOSA-N 2 1 361.511 3.257 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590497 732040092 /nfs/dbraw/zinc/04/00/92/732040092.db2.gz VOAUYNZLFCQFPL-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590497 732040101 /nfs/dbraw/zinc/04/01/01/732040101.db2.gz VOAUYNZLFCQFPL-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590497 732040106 /nfs/dbraw/zinc/04/01/06/732040106.db2.gz VOAUYNZLFCQFPL-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3cccc(Cl)n3)C2)ccn1 ZINC000856590497 732040109 /nfs/dbraw/zinc/04/01/09/732040109.db2.gz VOAUYNZLFCQFPL-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000865416500 733195127 /nfs/dbraw/zinc/19/51/27/733195127.db2.gz AJKFDRVIWUGFKX-IHRRRGAJSA-N 2 1 365.440 3.049 20 0 FGADMP Cc1ccnc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000865471849 733208039 /nfs/dbraw/zinc/20/80/39/733208039.db2.gz SMYSFXCPBPNGDX-GASCZTMLSA-N 2 1 370.335 3.132 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659615 733247916 /nfs/dbraw/zinc/24/79/16/733247916.db2.gz DLMHAROIUANOQN-AEFFLSMTSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659615 733247921 /nfs/dbraw/zinc/24/79/21/733247921.db2.gz DLMHAROIUANOQN-AEFFLSMTSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659615 733247924 /nfs/dbraw/zinc/24/79/24/733247924.db2.gz DLMHAROIUANOQN-AEFFLSMTSA-N 2 1 358.555 3.062 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)s1 ZINC000865713564 733256855 /nfs/dbraw/zinc/25/68/55/733256855.db2.gz WPITUOVNZVXNIW-HDJSIYSDSA-N 2 1 368.547 3.130 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911030 733901575 /nfs/dbraw/zinc/90/15/75/733901575.db2.gz PYUJYBWPUIILRG-FRQROOTJSA-N 2 1 367.896 3.106 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872017886 735576750 /nfs/dbraw/zinc/57/67/50/735576750.db2.gz GIDLCPALQMAHLU-PBHICJAKSA-N 2 1 353.304 3.211 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156179 735596925 /nfs/dbraw/zinc/59/69/25/735596925.db2.gz FZOSWHOZPLNSIL-XLIONFOSSA-N 2 1 364.555 3.210 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156179 735596932 /nfs/dbraw/zinc/59/69/32/735596932.db2.gz FZOSWHOZPLNSIL-XLIONFOSSA-N 2 1 364.555 3.210 20 0 FGADMP Brc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000873262214 735744502 /nfs/dbraw/zinc/74/45/02/735744502.db2.gz KLJKYFDXGFSWCR-AEFFLSMTSA-N 2 1 374.282 3.190 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000876897879 736160301 /nfs/dbraw/zinc/16/03/01/736160301.db2.gz HRVOADQXHSITEX-NXHRZFHOSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2nc(Cl)ccc2s1 ZINC000877527645 736679229 /nfs/dbraw/zinc/67/92/29/736679229.db2.gz UHOLLHWEVCQTTR-UHFFFAOYSA-N 2 1 352.935 3.019 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584491 736688438 /nfs/dbraw/zinc/68/84/38/736688438.db2.gz GFXIWMUYEVIQRJ-XDNAFOTISA-N 2 1 351.535 3.096 20 0 FGADMP COc1cc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc(OC)c1O ZINC000877767215 736717276 /nfs/dbraw/zinc/71/72/76/736717276.db2.gz CINYMGZYNRLABP-UHFFFAOYSA-N 2 1 350.503 3.209 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576353 737009901 /nfs/dbraw/zinc/00/99/01/737009901.db2.gz BSPOAZGGLSWFLB-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576353 737009907 /nfs/dbraw/zinc/00/99/07/737009907.db2.gz BSPOAZGGLSWFLB-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576353 737009912 /nfs/dbraw/zinc/00/99/12/737009912.db2.gz BSPOAZGGLSWFLB-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576353 737009917 /nfs/dbraw/zinc/00/99/17/737009917.db2.gz BSPOAZGGLSWFLB-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576353 737009921 /nfs/dbraw/zinc/00/99/21/737009921.db2.gz BSPOAZGGLSWFLB-CZUORRHYSA-N 2 1 355.404 3.060 20 0 FGADMP CN(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525875 739264752 /nfs/dbraw/zinc/26/47/52/739264752.db2.gz ADRBOQWBAYLYTP-BZSNNMDCSA-N 2 1 355.448 3.123 20 0 FGADMP C(CC[NH+]1CC[C@@H]([C@H]2CCCO2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821423 739305934 /nfs/dbraw/zinc/30/59/34/739305934.db2.gz BXNWIMKDBQGJDK-FXELSEDVSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821423 739305941 /nfs/dbraw/zinc/30/59/41/739305941.db2.gz BXNWIMKDBQGJDK-FXELSEDVSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886821423 739305948 /nfs/dbraw/zinc/30/59/48/739305948.db2.gz BXNWIMKDBQGJDK-FXELSEDVSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886821426 739306125 /nfs/dbraw/zinc/30/61/25/739306125.db2.gz BXNWIMKDBQGJDK-XSDIEEQYSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@H]2CCCO2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821426 739306131 /nfs/dbraw/zinc/30/61/31/739306131.db2.gz BXNWIMKDBQGJDK-XSDIEEQYSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@H]2CCCO2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821426 739306134 /nfs/dbraw/zinc/30/61/34/739306134.db2.gz BXNWIMKDBQGJDK-XSDIEEQYSA-N 2 1 350.547 3.159 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000891596624 739919468 /nfs/dbraw/zinc/91/94/68/739919468.db2.gz DOUVYEREMGIGHH-RYRKJORJSA-N 2 1 364.559 3.044 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000893328280 742140940 /nfs/dbraw/zinc/14/09/40/742140940.db2.gz WPJQOLHVXQOXLA-OALUTQOASA-N 2 1 350.478 3.250 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894174357 742248971 /nfs/dbraw/zinc/24/89/71/742248971.db2.gz RPDWWTVTXWCFFV-UHFFFAOYSA-N 2 1 366.962 3.457 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3cscc3Cl)CC2)CC1 ZINC000899243589 742897140 /nfs/dbraw/zinc/89/71/40/742897140.db2.gz BEYOHOBUZCRLDK-UHFFFAOYSA-N 2 1 369.962 3.214 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)[C@@H]1c1cccs1 ZINC000900829727 743180328 /nfs/dbraw/zinc/18/03/28/743180328.db2.gz XNKVZTWGDCHEMD-VXIBKDFQSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@@H]1c1cccs1 ZINC000900829727 743180334 /nfs/dbraw/zinc/18/03/34/743180334.db2.gz XNKVZTWGDCHEMD-VXIBKDFQSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)[C@@H]1c1cccs1 ZINC000900829727 743180341 /nfs/dbraw/zinc/18/03/41/743180341.db2.gz XNKVZTWGDCHEMD-VXIBKDFQSA-N 2 1 361.555 3.264 20 0 FGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000903765134 743881601 /nfs/dbraw/zinc/88/16/01/743881601.db2.gz YPVWKDFUVIROFO-USXIJHARSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000903793349 743884762 /nfs/dbraw/zinc/88/47/62/743884762.db2.gz RMSQUMWCAXOXGI-UHFFFAOYSA-N 2 1 360.299 3.337 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](C[C@]3(C)CCC[NH2+]C3)CC2)nc1C ZINC000904384720 743950816 /nfs/dbraw/zinc/95/08/16/743950816.db2.gz NBWULTWOXFKMHH-LJQANCHMSA-N 2 1 365.543 3.197 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000904639711 743965582 /nfs/dbraw/zinc/96/55/82/743965582.db2.gz LBVXBLLQJGTLSD-ROUUACIJSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000904639711 743965583 /nfs/dbraw/zinc/96/55/83/743965583.db2.gz LBVXBLLQJGTLSD-ROUUACIJSA-N 2 1 358.873 3.366 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230600 744004394 /nfs/dbraw/zinc/00/43/94/744004394.db2.gz GHUJHLMNGVXHTK-GUYCJALGSA-N 2 1 361.313 3.117 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230599 744004461 /nfs/dbraw/zinc/00/44/61/744004461.db2.gz GHUJHLMNGVXHTK-DYVFJYSZSA-N 2 1 361.313 3.117 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]Cc1c(-c2ccccc2)nc2sccn12 ZINC000915256718 757909098 /nfs/dbraw/zinc/90/90/98/757909098.db2.gz FHSFYMQYMYAPBB-UHFFFAOYSA-N 2 1 358.511 3.121 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388387 758910348 /nfs/dbraw/zinc/91/03/48/758910348.db2.gz PLGQKSVZMGDBQC-TVFCKZIOSA-N 2 1 367.331 3.018 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388221 758910357 /nfs/dbraw/zinc/91/03/57/758910357.db2.gz NOGKSPHJYYJBDP-MLYOOKFZSA-N 2 1 363.571 3.370 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388526 758910713 /nfs/dbraw/zinc/91/07/13/758910713.db2.gz QUNZSDBPCSPEPW-JEWRLFTDSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922392352 758912443 /nfs/dbraw/zinc/91/24/43/758912443.db2.gz DCBKLCQZQBCAEQ-DZJHOTPTSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922395654 758914833 /nfs/dbraw/zinc/91/48/33/758914833.db2.gz YBWSTJUWAGNGTP-OHDICMOHSA-N 2 1 351.560 3.226 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]Cc1nc2c(s1)CCC2 ZINC000922470312 758930645 /nfs/dbraw/zinc/93/06/45/758930645.db2.gz MZPILEXCGGJBFY-UHFFFAOYSA-N 2 1 357.523 3.396 20 0 FGADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)c1ccsc1 ZINC000924657570 759369067 /nfs/dbraw/zinc/36/90/67/759369067.db2.gz HYEMOMGDNHUTKX-NXEWRWPSSA-N 2 1 365.587 3.362 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924688996 759372567 /nfs/dbraw/zinc/37/25/67/759372567.db2.gz WDVIETMTJWTWRQ-AOCRQIFASA-N 2 1 353.551 3.391 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000924698455 759373504 /nfs/dbraw/zinc/37/35/04/759373504.db2.gz ZNRDOAZLIOIJAE-CKEIUWERSA-N 2 1 350.304 3.438 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000924698455 759373515 /nfs/dbraw/zinc/37/35/15/759373515.db2.gz ZNRDOAZLIOIJAE-CKEIUWERSA-N 2 1 350.304 3.438 20 0 FGADMP C[C@@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924781074 759390246 /nfs/dbraw/zinc/39/02/46/759390246.db2.gz CUMWCZUSFQQXIO-QGZVFWFLSA-N 2 1 360.523 3.014 20 0 FGADMP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000925038549 759435289 /nfs/dbraw/zinc/43/52/89/759435289.db2.gz LMRJLEVHGHBMRA-AZUAARDMSA-N 2 1 351.535 3.423 20 0 FGADMP C[N@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629979 759514704 /nfs/dbraw/zinc/51/47/04/759514704.db2.gz OROLMPQRIGRQHK-JVAXSNDZSA-N 2 1 363.908 3.058 20 0 FGADMP CN1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925629979 759514709 /nfs/dbraw/zinc/51/47/09/759514709.db2.gz OROLMPQRIGRQHK-JVAXSNDZSA-N 2 1 363.908 3.058 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1Cl ZINC000925651207 759517519 /nfs/dbraw/zinc/51/75/19/759517519.db2.gz YLYGVQDJSJEQNV-RDJZCZTQSA-N 2 1 370.946 3.001 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC(C)(C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000925742182 759528382 /nfs/dbraw/zinc/52/83/82/759528382.db2.gz QAPNPMUBDVHNRV-LJQANCHMSA-N 2 1 360.523 3.205 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@@H]2CCC[C@@H]21 ZINC000927161228 759910510 /nfs/dbraw/zinc/91/05/10/759910510.db2.gz GNFWXBZLUZAEHX-FKSLSLAPSA-N 2 1 350.547 3.202 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780131 760456144 /nfs/dbraw/zinc/45/61/44/760456144.db2.gz KWIIAYZBRGLAOJ-ZJPYXAASSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780131 760456157 /nfs/dbraw/zinc/45/61/57/760456157.db2.gz KWIIAYZBRGLAOJ-ZJPYXAASSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C[C@H]1C ZINC000929780131 760456165 /nfs/dbraw/zinc/45/61/65/760456165.db2.gz KWIIAYZBRGLAOJ-ZJPYXAASSA-N 2 1 353.551 3.484 20 0 FGADMP CCC[N@@H+](CCc1ccns1)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000929982640 760506062 /nfs/dbraw/zinc/50/60/62/760506062.db2.gz QGMQFYVWRSTCOT-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP CCC[N@H+](CCc1ccns1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929982640 760506068 /nfs/dbraw/zinc/50/60/68/760506068.db2.gz QGMQFYVWRSTCOT-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP CCC[N@@H+](CCc1ccns1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929982640 760506072 /nfs/dbraw/zinc/50/60/72/760506072.db2.gz QGMQFYVWRSTCOT-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP C[NH+]1C[C@]2(C)C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@@]2(C)C1 ZINC000931309626 760825031 /nfs/dbraw/zinc/82/50/31/760825031.db2.gz FBNPAJZXGCONRI-RTBURBONSA-N 2 1 360.889 3.206 20 0 FGADMP COCC[N@@H+](C[C@@H]1[C@@H](c2ccccc2)C1(F)F)CC1CC[NH+](C)CC1 ZINC000931381179 760848209 /nfs/dbraw/zinc/84/82/09/760848209.db2.gz TZWZUSRXOOOBJZ-RTBURBONSA-N 2 1 352.469 3.326 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932708144 761225555 /nfs/dbraw/zinc/22/55/55/761225555.db2.gz MUJXHHBGMOPBKS-NVXWUHKLSA-N 2 1 350.507 3.064 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000932708144 761225558 /nfs/dbraw/zinc/22/55/58/761225558.db2.gz MUJXHHBGMOPBKS-NVXWUHKLSA-N 2 1 350.507 3.064 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000969689970 762861168 /nfs/dbraw/zinc/86/11/68/762861168.db2.gz NABDQAFVBPJZAR-UCLAIMLFSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000969689970 762861176 /nfs/dbraw/zinc/86/11/76/762861176.db2.gz NABDQAFVBPJZAR-UCLAIMLFSA-N 2 1 363.933 3.007 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC000981194982 763463077 /nfs/dbraw/zinc/46/30/77/763463077.db2.gz YDVLQPBIUQBYIR-SJLPKXTDSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC000981194982 763463080 /nfs/dbraw/zinc/46/30/80/763463080.db2.gz YDVLQPBIUQBYIR-SJLPKXTDSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC000981194982 763463084 /nfs/dbraw/zinc/46/30/84/763463084.db2.gz YDVLQPBIUQBYIR-SJLPKXTDSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC000981194982 763463088 /nfs/dbraw/zinc/46/30/88/763463088.db2.gz YDVLQPBIUQBYIR-SJLPKXTDSA-N 2 1 363.933 3.023 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3Cl)CC2)CC[N@@H+]1C ZINC000981197597 763464748 /nfs/dbraw/zinc/46/47/48/763464748.db2.gz KMUKAJZFKRKRRD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000981197597 763464752 /nfs/dbraw/zinc/46/47/52/763464752.db2.gz KMUKAJZFKRKRRD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC000981197597 763464760 /nfs/dbraw/zinc/46/47/60/763464760.db2.gz KMUKAJZFKRKRRD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC000981197597 763464761 /nfs/dbraw/zinc/46/47/61/763464761.db2.gz KMUKAJZFKRKRRD-PKOBYXMFSA-N 2 1 363.933 3.105 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC000985439733 763929211 /nfs/dbraw/zinc/92/92/11/763929211.db2.gz YIFKUYBCQRKTLC-CZUORRHYSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3ccc(Cl)s3)CC2)CC[NH+]1C ZINC000985439733 763929215 /nfs/dbraw/zinc/92/92/15/763929215.db2.gz YIFKUYBCQRKTLC-CZUORRHYSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3ccc(Cl)s3)CC2)CC[NH+]1C ZINC000985439733 763929216 /nfs/dbraw/zinc/92/92/16/763929216.db2.gz YIFKUYBCQRKTLC-CZUORRHYSA-N 2 1 369.962 3.165 20 0 FGADMP Cc1cc(C[NH+]2CC[C@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790129 764562957 /nfs/dbraw/zinc/56/29/57/764562957.db2.gz KOTYBROTKRPOLF-DLVXIWMQSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790129 764562962 /nfs/dbraw/zinc/56/29/62/764562962.db2.gz KOTYBROTKRPOLF-DLVXIWMQSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790129 764562969 /nfs/dbraw/zinc/56/29/69/764562969.db2.gz KOTYBROTKRPOLF-DLVXIWMQSA-N 2 1 361.555 3.010 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001022109723 765974307 /nfs/dbraw/zinc/97/43/07/765974307.db2.gz SIIVUJINPWDHDS-CYJAXWMASA-N 2 1 363.933 3.116 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027895352 766105391 /nfs/dbraw/zinc/10/53/91/766105391.db2.gz WANHLPMRVHKMLJ-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027895352 766105397 /nfs/dbraw/zinc/10/53/97/766105397.db2.gz WANHLPMRVHKMLJ-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027895352 766105405 /nfs/dbraw/zinc/10/54/05/766105405.db2.gz WANHLPMRVHKMLJ-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001034647883 766243325 /nfs/dbraw/zinc/24/33/25/766243325.db2.gz RNMUJPCUCODMTE-UTRMSSBJSA-N 2 1 363.933 3.197 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2c(C)cccc2Cl)CC[N@@H+]1C ZINC001038268578 766270559 /nfs/dbraw/zinc/27/05/59/766270559.db2.gz HQPRKCKNPQGMRX-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+]2Cc2c(C)cccc2Cl)CC[N@H+]1C ZINC001038268578 766270567 /nfs/dbraw/zinc/27/05/67/766270567.db2.gz HQPRKCKNPQGMRX-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2c(C)cccc2Cl)CC[NH+]1C ZINC001038268578 766270571 /nfs/dbraw/zinc/27/05/71/766270571.db2.gz HQPRKCKNPQGMRX-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+]2Cc2c(C)cccc2Cl)CC[NH+]1C ZINC001038268578 766270577 /nfs/dbraw/zinc/27/05/77/766270577.db2.gz HQPRKCKNPQGMRX-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)c1 ZINC000058714715 221122288 /nfs/dbraw/zinc/12/22/88/221122288.db2.gz URDNSOXMDGQUDB-UHFFFAOYSA-N 2 1 372.557 3.131 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000072041960 221398920 /nfs/dbraw/zinc/39/89/20/221398920.db2.gz WEHOWYIRNVFVBS-AZUAARDMSA-N 2 1 360.546 3.161 20 0 FGADMP C[C@H]([NH2+][C@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555307 257380359 /nfs/dbraw/zinc/38/03/59/257380359.db2.gz FLQSRXSSCODFFR-IOMROCGXSA-N 2 1 351.494 3.103 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000567910462 505573560 /nfs/dbraw/zinc/57/35/60/505573560.db2.gz YAQRLTWIWGXISG-ROUUACIJSA-N 2 1 367.484 3.370 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000567910462 505573564 /nfs/dbraw/zinc/57/35/64/505573564.db2.gz YAQRLTWIWGXISG-ROUUACIJSA-N 2 1 367.484 3.370 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000567983132 505589882 /nfs/dbraw/zinc/58/98/82/505589882.db2.gz QXBFAJIOJDZQPR-YLJYHZDGSA-N 2 1 371.550 3.323 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC[N@H+]1C ZINC000573676192 505594559 /nfs/dbraw/zinc/59/45/59/505594559.db2.gz BHQTXIRREGBCIC-KZNAEPCWSA-N 2 1 351.494 3.228 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000573666621 505591871 /nfs/dbraw/zinc/59/18/71/505591871.db2.gz PPUBCLBCZRBNBH-MOPGFXCFSA-N 2 1 354.498 3.130 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000568166901 505632445 /nfs/dbraw/zinc/63/24/45/505632445.db2.gz WQHXZTQJAOGSEO-NRFANRHFSA-N 2 1 354.542 3.415 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571047271 505640993 /nfs/dbraw/zinc/64/09/93/505640993.db2.gz PGNYRDQITYSYCO-KFWWJZLASA-N 2 1 369.431 3.354 20 0 FGADMP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000081248600 493852205 /nfs/dbraw/zinc/85/22/05/493852205.db2.gz AIXBBAOUMJSIIU-OAQYLSRUSA-N 2 1 357.542 3.060 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000068722585 493863602 /nfs/dbraw/zinc/86/36/02/493863602.db2.gz UHHQWCQURGOAJN-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000068722585 493863605 /nfs/dbraw/zinc/86/36/05/493863605.db2.gz UHHQWCQURGOAJN-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076342305 493870772 /nfs/dbraw/zinc/87/07/72/493870772.db2.gz URWBFSSIHYKPJV-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076342305 493870776 /nfs/dbraw/zinc/87/07/76/493870776.db2.gz URWBFSSIHYKPJV-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000076342305 493870779 /nfs/dbraw/zinc/87/07/79/493870779.db2.gz URWBFSSIHYKPJV-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000076342305 493870780 /nfs/dbraw/zinc/87/07/80/493870780.db2.gz URWBFSSIHYKPJV-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081565753 493918099 /nfs/dbraw/zinc/91/80/99/493918099.db2.gz QJRRGYKKJRSLEZ-YLJYHZDGSA-N 2 1 363.521 3.417 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081565753 493918103 /nfs/dbraw/zinc/91/81/03/493918103.db2.gz QJRRGYKKJRSLEZ-YLJYHZDGSA-N 2 1 363.521 3.417 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082129 505689161 /nfs/dbraw/zinc/68/91/61/505689161.db2.gz QDGXUOJTEYJBSE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082129 505689165 /nfs/dbraw/zinc/68/91/65/505689165.db2.gz QDGXUOJTEYJBSE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082129 505689167 /nfs/dbraw/zinc/68/91/67/505689167.db2.gz QDGXUOJTEYJBSE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(C(N)=O)cc3)C2)s1 ZINC000574082129 505689168 /nfs/dbraw/zinc/68/91/68/505689168.db2.gz QDGXUOJTEYJBSE-KRWDZBQOSA-N 2 1 357.523 3.109 20 0 FGADMP O=C(C[N@@H+](CCc1ccccc1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000069521060 493980135 /nfs/dbraw/zinc/98/01/35/493980135.db2.gz WXQCCZFCQQMYNA-UHFFFAOYSA-N 2 1 369.553 3.217 20 0 FGADMP CCCC[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000061757890 493992412 /nfs/dbraw/zinc/99/24/12/493992412.db2.gz BQOLXDUDVOHOIR-UHFFFAOYSA-N 2 1 353.510 3.216 20 0 FGADMP CCCC[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000061757890 493992418 /nfs/dbraw/zinc/99/24/18/493992418.db2.gz BQOLXDUDVOHOIR-UHFFFAOYSA-N 2 1 353.510 3.216 20 0 FGADMP CCc1ccc([C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)[NH+](C)C)cc1 ZINC000062370393 494011274 /nfs/dbraw/zinc/01/12/74/494011274.db2.gz GOUVNOBMBBGQPO-LEWJYISDSA-N 2 1 353.510 3.271 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000577280661 505699685 /nfs/dbraw/zinc/69/96/85/505699685.db2.gz CPUDEEUIBGGVGA-NEWSRXKRSA-N 2 1 369.509 3.274 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)CC2 ZINC000571291405 505700392 /nfs/dbraw/zinc/70/03/92/505700392.db2.gz WYAIPPUVWQIWTQ-GOSISDBHSA-N 2 1 352.482 3.031 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000064344380 494115348 /nfs/dbraw/zinc/11/53/48/494115348.db2.gz GZHDXRWVBKANMU-LJQANCHMSA-N 2 1 373.541 3.065 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000064739202 494145745 /nfs/dbraw/zinc/14/57/45/494145745.db2.gz RQICDEDYGWSHBT-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000064739202 494145748 /nfs/dbraw/zinc/14/57/48/494145748.db2.gz RQICDEDYGWSHBT-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000064739202 494145752 /nfs/dbraw/zinc/14/57/52/494145752.db2.gz RQICDEDYGWSHBT-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086423910 494153445 /nfs/dbraw/zinc/15/34/45/494153445.db2.gz CLBDFNVJSGNZME-KXBFYZLASA-N 2 1 355.486 3.025 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086423910 494153448 /nfs/dbraw/zinc/15/34/48/494153448.db2.gz CLBDFNVJSGNZME-KXBFYZLASA-N 2 1 355.486 3.025 20 0 FGADMP c1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000072718427 494239750 /nfs/dbraw/zinc/23/97/50/494239750.db2.gz FYWDXQMGADJFGF-SFHVURJKSA-N 2 1 354.498 3.477 20 0 FGADMP c1ccc(-c2noc(CCC[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000072718427 494239753 /nfs/dbraw/zinc/23/97/53/494239753.db2.gz FYWDXQMGADJFGF-SFHVURJKSA-N 2 1 354.498 3.477 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000066050074 494273157 /nfs/dbraw/zinc/27/31/57/494273157.db2.gz ISZVYRZLZIHJJW-UHFFFAOYSA-N 2 1 357.542 3.475 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccco1 ZINC000078484938 494305489 /nfs/dbraw/zinc/30/54/89/494305489.db2.gz FUDKPRJXVIJWSP-OALUTQOASA-N 2 1 370.497 3.019 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000073415541 494368919 /nfs/dbraw/zinc/36/89/19/494368919.db2.gz MVIBKDMQAMWPPV-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000073628252 494404123 /nfs/dbraw/zinc/40/41/23/494404123.db2.gz DTGBXZMDWFLZEM-OAQYLSRUSA-N 2 1 372.557 3.156 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045192662 494405147 /nfs/dbraw/zinc/40/51/47/494405147.db2.gz OTVJTWCQOHJKGN-NHCUHLMSSA-N 2 1 370.541 3.099 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402813 505720784 /nfs/dbraw/zinc/72/07/84/505720784.db2.gz PGSHNDXKTOLDPY-DENIHFKCSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402813 505720786 /nfs/dbraw/zinc/72/07/86/505720786.db2.gz PGSHNDXKTOLDPY-DENIHFKCSA-N 2 1 365.521 3.368 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000079221369 494421947 /nfs/dbraw/zinc/42/19/47/494421947.db2.gz AXENATINCZPQNG-PZJWPPBQSA-N 2 1 374.573 3.113 20 0 FGADMP CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795132 494430262 /nfs/dbraw/zinc/43/02/62/494430262.db2.gz IPAVSIAYXVNTDI-SJORKVTESA-N 2 1 366.575 3.257 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000079389772 494444938 /nfs/dbraw/zinc/44/49/38/494444938.db2.gz JTZZGQKFZPJONK-HXUWFJFHSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960863 494446225 /nfs/dbraw/zinc/44/62/25/494446225.db2.gz UFGAPUVFJTUKEZ-LJQANCHMSA-N 2 1 359.558 3.178 20 0 FGADMP CC[N@@H+](C)CCNC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000066987641 494452199 /nfs/dbraw/zinc/45/21/99/494452199.db2.gz HCWPLYBLDAJGQK-UHFFFAOYSA-N 2 1 368.525 3.166 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000074001660 494463968 /nfs/dbraw/zinc/46/39/68/494463968.db2.gz XECYZVMTUFEMCX-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000074036388 494470124 /nfs/dbraw/zinc/47/01/24/494470124.db2.gz GMIQOTCWGRPSQZ-QKNQBKEWSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000074036388 494470128 /nfs/dbraw/zinc/47/01/28/494470128.db2.gz GMIQOTCWGRPSQZ-QKNQBKEWSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586112 494484477 /nfs/dbraw/zinc/48/44/77/494484477.db2.gz MKRGTYHINPVOSF-HOTGVXAUSA-N 2 1 366.937 3.410 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000074298044 494513385 /nfs/dbraw/zinc/51/33/85/494513385.db2.gz ULHHLPFXYAIFHH-OAQYLSRUSA-N 2 1 369.553 3.089 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000074320878 494517954 /nfs/dbraw/zinc/51/79/54/494517954.db2.gz ACTJLXZHSSYRPA-FQEVSTJZSA-N 2 1 355.526 3.086 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)C[N@H+]3CCC(C)(C)C3)cc2)CC1 ZINC000568578835 505726357 /nfs/dbraw/zinc/72/63/57/505726357.db2.gz BREMINZJGDDNSH-UHFFFAOYSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080056155 494577921 /nfs/dbraw/zinc/57/79/21/494577921.db2.gz LNNJMSQVJDOQIO-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000107717540 494591279 /nfs/dbraw/zinc/59/12/79/494591279.db2.gz XQBPVHDRDDOCLM-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080115002 494602364 /nfs/dbraw/zinc/60/23/64/494602364.db2.gz YTUYTPDWXMVUKJ-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833850 494609043 /nfs/dbraw/zinc/60/90/43/494609043.db2.gz CUHLVYAZQNQREL-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000080155820 494616803 /nfs/dbraw/zinc/61/68/03/494616803.db2.gz WUSDHVRQMXJRPR-IHWFROFDSA-N 2 1 364.578 3.059 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000115789940 494624032 /nfs/dbraw/zinc/62/40/32/494624032.db2.gz ZYAFQMTZGQVVAO-OAQYLSRUSA-N 2 1 372.557 3.156 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3CCCCO3)CC2)c1C ZINC000091708845 494655324 /nfs/dbraw/zinc/65/53/24/494655324.db2.gz XYEHODWJNOBQBZ-IBGZPJMESA-N 2 1 361.530 3.172 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3CCCCO3)CC2)c1C ZINC000091708845 494655326 /nfs/dbraw/zinc/65/53/26/494655326.db2.gz XYEHODWJNOBQBZ-IBGZPJMESA-N 2 1 361.530 3.172 20 0 FGADMP Cc1cc2ncc([C@@H](C)[NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)c(C)n2n1 ZINC000091726119 494659205 /nfs/dbraw/zinc/65/92/05/494659205.db2.gz BSJRWFHKDZOWRP-MRXNPFEDSA-N 2 1 364.497 3.369 20 0 FGADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992080 494669400 /nfs/dbraw/zinc/66/94/00/494669400.db2.gz MLEFURVPYZZXHG-SFTDATJTSA-N 2 1 357.542 3.245 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000108410006 494700761 /nfs/dbraw/zinc/70/07/61/494700761.db2.gz WXBUPZCFHMWSQS-UHFFFAOYSA-N 2 1 364.578 3.016 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccccc3)c2)C1 ZINC000108420713 494702721 /nfs/dbraw/zinc/70/27/21/494702721.db2.gz YIKOSLRTRRDWAN-NCZOVAKNSA-N 2 1 363.505 3.187 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000057286052 494703937 /nfs/dbraw/zinc/70/39/37/494703937.db2.gz QOWSZYBLZQPUGM-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000108428103 494705462 /nfs/dbraw/zinc/70/54/62/494705462.db2.gz UEURKQWBGJIYGI-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473120 494713615 /nfs/dbraw/zinc/71/36/15/494713615.db2.gz ZJGAPQMBNSAJCK-FQEVSTJZSA-N 2 1 369.553 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473120 494713624 /nfs/dbraw/zinc/71/36/24/494713624.db2.gz ZJGAPQMBNSAJCK-FQEVSTJZSA-N 2 1 369.553 3.475 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1)C1CC1 ZINC000080473120 494713633 /nfs/dbraw/zinc/71/36/33/494713633.db2.gz ZJGAPQMBNSAJCK-FQEVSTJZSA-N 2 1 369.553 3.475 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561916 494740796 /nfs/dbraw/zinc/74/07/96/494740796.db2.gz MPQQLANEMOYYSJ-TZIWHRDSSA-N 2 1 372.557 3.101 20 0 FGADMP Brc1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492673 505738974 /nfs/dbraw/zinc/73/89/74/505738974.db2.gz NFLOAZOTOSCNRN-CABCVRRESA-N 2 1 365.315 3.206 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000116399801 494773452 /nfs/dbraw/zinc/77/34/52/494773452.db2.gz CUCCUHBNXLPEOW-SFHVURJKSA-N 2 1 351.535 3.020 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000116399801 494773457 /nfs/dbraw/zinc/77/34/57/494773457.db2.gz CUCCUHBNXLPEOW-SFHVURJKSA-N 2 1 351.535 3.020 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000116422241 494782243 /nfs/dbraw/zinc/78/22/43/494782243.db2.gz HCMWNKDSFLNFAD-ROUUACIJSA-N 2 1 354.583 3.164 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121580815 494809346 /nfs/dbraw/zinc/80/93/46/494809346.db2.gz XTHBEXDPWZWCIL-NJYVYQBISA-N 2 1 358.501 3.380 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccccn3)CC2)c1C ZINC000092225557 494815351 /nfs/dbraw/zinc/81/53/51/494815351.db2.gz IQWDHULQSQDXLI-UHFFFAOYSA-N 2 1 354.498 3.198 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccccn3)CC2)c1C ZINC000092225557 494815355 /nfs/dbraw/zinc/81/53/55/494815355.db2.gz IQWDHULQSQDXLI-UHFFFAOYSA-N 2 1 354.498 3.198 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000568641952 505743670 /nfs/dbraw/zinc/74/36/70/505743670.db2.gz VDOXVJXTTMQLKC-UHFFFAOYSA-N 2 1 354.376 3.316 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCC2 ZINC000126724491 494827491 /nfs/dbraw/zinc/82/74/91/494827491.db2.gz UTUNYAZUGVJDMH-LJQANCHMSA-N 2 1 370.566 3.366 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C(C)=C/c3ccccc3)CC2)CC1 ZINC000093141787 494834295 /nfs/dbraw/zinc/83/42/95/494834295.db2.gz DHCXHQLXSRJWIX-LVZFUZTISA-N 2 1 369.553 3.356 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C(C)C)C(C)C)CC2)CC1 ZINC000568648232 505745039 /nfs/dbraw/zinc/74/50/39/505745039.db2.gz ZMZFDRIZIKHJRW-UHFFFAOYSA-N 2 1 351.579 3.227 20 0 FGADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)CC1 ZINC000027003012 494848158 /nfs/dbraw/zinc/84/81/58/494848158.db2.gz PIZIVAMLQVPZLG-NRFANRHFSA-N 2 1 351.494 3.235 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000121785092 494859752 /nfs/dbraw/zinc/85/97/52/494859752.db2.gz LPUSARKJBIKPIV-UHFFFAOYSA-N 2 1 353.445 3.404 20 0 FGADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336966 494873242 /nfs/dbraw/zinc/87/32/42/494873242.db2.gz BNOCMRQJFACQLO-IBGZPJMESA-N 2 1 361.493 3.426 20 0 FGADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336966 494873244 /nfs/dbraw/zinc/87/32/44/494873244.db2.gz BNOCMRQJFACQLO-IBGZPJMESA-N 2 1 361.493 3.426 20 0 FGADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336966 494873247 /nfs/dbraw/zinc/87/32/47/494873247.db2.gz BNOCMRQJFACQLO-IBGZPJMESA-N 2 1 361.493 3.426 20 0 FGADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336966 494873251 /nfs/dbraw/zinc/87/32/51/494873251.db2.gz BNOCMRQJFACQLO-IBGZPJMESA-N 2 1 361.493 3.426 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(C)C)[C@@H]2CCCc3cccnc32)CC1 ZINC000127018944 494880593 /nfs/dbraw/zinc/88/05/93/494880593.db2.gz ZBLRIAFXRBJASC-HXUWFJFHSA-N 2 1 372.557 3.018 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)CC(C)C ZINC000109482043 494881305 /nfs/dbraw/zinc/88/13/05/494881305.db2.gz VKMZBNZKAGALAJ-GOSISDBHSA-N 2 1 354.583 3.259 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660204 494908426 /nfs/dbraw/zinc/90/84/26/494908426.db2.gz XAGJAMIVYZRALB-SFHVURJKSA-N 2 1 370.497 3.154 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660204 494908431 /nfs/dbraw/zinc/90/84/31/494908431.db2.gz XAGJAMIVYZRALB-SFHVURJKSA-N 2 1 370.497 3.154 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660204 494908436 /nfs/dbraw/zinc/90/84/36/494908436.db2.gz XAGJAMIVYZRALB-SFHVURJKSA-N 2 1 370.497 3.154 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660204 494908440 /nfs/dbraw/zinc/90/84/40/494908440.db2.gz XAGJAMIVYZRALB-SFHVURJKSA-N 2 1 370.497 3.154 20 0 FGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCCC1 ZINC000109699154 494909361 /nfs/dbraw/zinc/90/93/61/494909361.db2.gz NOHBYYJYWGSHTA-UHFFFAOYSA-N 2 1 361.555 3.438 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCO[C@H](c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000093841583 494925550 /nfs/dbraw/zinc/92/55/50/494925550.db2.gz DQMIPBVAIWKPNG-QFIPXVFZSA-N 2 1 369.509 3.384 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCO[C@H](c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000093841583 494925554 /nfs/dbraw/zinc/92/55/54/494925554.db2.gz DQMIPBVAIWKPNG-QFIPXVFZSA-N 2 1 369.509 3.384 20 0 FGADMP C[C@H](c1ccc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000118030544 494971780 /nfs/dbraw/zinc/97/17/80/494971780.db2.gz VUMSURXAUGAYBB-ZWKOTPCHSA-N 2 1 374.529 3.076 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000111439306 495074678 /nfs/dbraw/zinc/07/46/78/495074678.db2.gz ZKEBOOTUDXXSJX-QGZVFWFLSA-N 2 1 352.567 3.059 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133934094 495083248 /nfs/dbraw/zinc/08/32/48/495083248.db2.gz OZOFJFGNNHEYPR-SFHVURJKSA-N 3 1 369.557 3.148 20 0 FGADMP C[C@H](C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101644630 495088632 /nfs/dbraw/zinc/08/86/32/495088632.db2.gz JXXZUNQPQUGDAF-FGTMMUONSA-N 2 1 358.530 3.195 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(N2CCC(C)CC2)nc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101644633 495088930 /nfs/dbraw/zinc/08/89/30/495088930.db2.gz JXXZUNQPQUGDAF-KSZLIROESA-N 2 1 358.530 3.195 20 0 FGADMP Cc1ccc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000134074331 495102597 /nfs/dbraw/zinc/10/25/97/495102597.db2.gz XPCPKIPAISQAHT-UHFFFAOYSA-N 2 1 352.526 3.078 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000111881032 495124910 /nfs/dbraw/zinc/12/49/10/495124910.db2.gz NDYVTPNDGLYZIN-SFHVURJKSA-N 2 1 366.594 3.260 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119243844 495126295 /nfs/dbraw/zinc/12/62/95/495126295.db2.gz HJJNTYYBZGHAOD-KNQAVFIVSA-N 2 1 370.541 3.158 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1OC(F)F ZINC000128629611 495126980 /nfs/dbraw/zinc/12/69/80/495126980.db2.gz ZQTODRZMKCIELK-AWEZNQCLSA-N 2 1 359.436 3.105 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604945 505762998 /nfs/dbraw/zinc/76/29/98/505762998.db2.gz KQWRUEBZQGVZKS-WOJBJXKFSA-N 2 1 354.498 3.013 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000128666493 495132668 /nfs/dbraw/zinc/13/26/68/495132668.db2.gz CATQTWCMKDDWDM-OAHLLOKOSA-N 2 1 359.436 3.263 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000128695170 495136464 /nfs/dbraw/zinc/13/64/64/495136464.db2.gz UGSRHLADJHLEPG-AZUAARDMSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119341716 495146205 /nfs/dbraw/zinc/14/62/05/495146205.db2.gz QSIMKBUJHIOTBS-XLIONFOSSA-N 2 1 372.557 3.069 20 0 FGADMP COC[C@@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](COC)C3)cc2)C1 ZINC000112986538 495264164 /nfs/dbraw/zinc/26/41/64/495264164.db2.gz XLWTYYBIDJJXIQ-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@H](COC)C3)cc2)C1 ZINC000112986538 495264167 /nfs/dbraw/zinc/26/41/67/495264167.db2.gz XLWTYYBIDJJXIQ-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCC[C@H](COC)C3)cc2)C1 ZINC000112986538 495264171 /nfs/dbraw/zinc/26/41/71/495264171.db2.gz XLWTYYBIDJJXIQ-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](C)C2)c1 ZINC000135427231 495290830 /nfs/dbraw/zinc/29/08/30/495290830.db2.gz FCWVBQFTHMFNQO-NRFANRHFSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000135427231 495290833 /nfs/dbraw/zinc/29/08/33/495290833.db2.gz FCWVBQFTHMFNQO-NRFANRHFSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000135427231 495290835 /nfs/dbraw/zinc/29/08/35/495290835.db2.gz FCWVBQFTHMFNQO-NRFANRHFSA-N 2 1 374.573 3.450 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000105113475 495337718 /nfs/dbraw/zinc/33/77/18/495337718.db2.gz BQABTMGOZSWRSJ-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000105113475 495337722 /nfs/dbraw/zinc/33/77/22/495337722.db2.gz BQABTMGOZSWRSJ-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000105113475 495337725 /nfs/dbraw/zinc/33/77/25/495337725.db2.gz BQABTMGOZSWRSJ-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000105118753 495338764 /nfs/dbraw/zinc/33/87/64/495338764.db2.gz MOHNGINAVKFSKB-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000113997727 495342235 /nfs/dbraw/zinc/34/22/35/495342235.db2.gz GYSRJCMPMRLYIK-FQEVSTJZSA-N 2 1 359.558 3.075 20 0 FGADMP CCCc1cc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124869836 495357515 /nfs/dbraw/zinc/35/75/15/495357515.db2.gz SMNBFDAQVINVIL-IBGZPJMESA-N 2 1 352.526 3.404 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc2C1 ZINC000114455637 495377087 /nfs/dbraw/zinc/37/70/87/495377087.db2.gz MFSBCUNLMFSYQI-QFIPXVFZSA-N 2 1 371.569 3.245 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(CC)s2)CC1 ZINC000114475749 495380164 /nfs/dbraw/zinc/38/01/64/495380164.db2.gz PTBONWMTQMTNJP-UHFFFAOYSA-N 2 1 365.587 3.371 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(CC)s2)CC1 ZINC000114475749 495380167 /nfs/dbraw/zinc/38/01/67/495380167.db2.gz PTBONWMTQMTNJP-UHFFFAOYSA-N 2 1 365.587 3.371 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000125136988 495395669 /nfs/dbraw/zinc/39/56/69/495395669.db2.gz FOQIIJWLIGXMSP-UHFFFAOYSA-N 2 1 368.525 3.139 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000125136988 495395671 /nfs/dbraw/zinc/39/56/71/495395671.db2.gz FOQIIJWLIGXMSP-UHFFFAOYSA-N 2 1 368.525 3.139 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000136861514 495405766 /nfs/dbraw/zinc/40/57/66/495405766.db2.gz PQQMNFLUSDJBKV-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000130595217 495416673 /nfs/dbraw/zinc/41/66/73/495416673.db2.gz NJBIYWSNCRXBKQ-HNNXBMFYSA-N 2 1 358.511 3.041 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCSc2ccccc21 ZINC000130595217 495416678 /nfs/dbraw/zinc/41/66/78/495416678.db2.gz NJBIYWSNCRXBKQ-HNNXBMFYSA-N 2 1 358.511 3.041 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000137465271 495441867 /nfs/dbraw/zinc/44/18/67/495441867.db2.gz RIJVMZWNTDOBGM-DYESRHJHSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000137641981 495447776 /nfs/dbraw/zinc/44/77/76/495447776.db2.gz JJGKTJNBUCTZCG-KBPBESRZSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000137641981 495447779 /nfs/dbraw/zinc/44/77/79/495447779.db2.gz JJGKTJNBUCTZCG-KBPBESRZSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641981 495447783 /nfs/dbraw/zinc/44/77/83/495447783.db2.gz JJGKTJNBUCTZCG-KBPBESRZSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641981 495447786 /nfs/dbraw/zinc/44/77/86/495447786.db2.gz JJGKTJNBUCTZCG-KBPBESRZSA-N 2 1 357.420 3.449 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000106527169 495463209 /nfs/dbraw/zinc/46/32/09/495463209.db2.gz PGVCWZSBZSBESB-FQEVSTJZSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000106527169 495463214 /nfs/dbraw/zinc/46/32/14/495463214.db2.gz PGVCWZSBZSBESB-FQEVSTJZSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106527169 495463217 /nfs/dbraw/zinc/46/32/17/495463217.db2.gz PGVCWZSBZSBESB-FQEVSTJZSA-N 2 1 372.557 3.343 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@@H+](C)C3CCCC3)CC2)CC1 ZINC000125735441 495489936 /nfs/dbraw/zinc/48/99/36/495489936.db2.gz BOPBSCIUAAQGOT-UHFFFAOYSA-N 2 1 364.578 3.203 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000568827730 505785944 /nfs/dbraw/zinc/78/59/44/505785944.db2.gz FUCAEDBKUDUGFE-MOPGFXCFSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000568827730 505785946 /nfs/dbraw/zinc/78/59/46/505785946.db2.gz FUCAEDBKUDUGFE-MOPGFXCFSA-N 2 1 361.917 3.220 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000125874506 495511722 /nfs/dbraw/zinc/51/17/22/495511722.db2.gz KUWYTSIRESSKOC-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000107386003 495526730 /nfs/dbraw/zinc/52/67/30/495526730.db2.gz DRQMESHQIZCZFH-GOSISDBHSA-N 2 1 374.485 3.035 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182375819 495538029 /nfs/dbraw/zinc/53/80/29/495538029.db2.gz VQXXHOVZEKNNMH-RBUKOAKNSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000144994222 495550660 /nfs/dbraw/zinc/55/06/60/495550660.db2.gz MREBMOPBGDULBG-OAQYLSRUSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000144994222 495550665 /nfs/dbraw/zinc/55/06/65/495550665.db2.gz MREBMOPBGDULBG-OAQYLSRUSA-N 2 1 353.510 3.446 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000158736489 495578197 /nfs/dbraw/zinc/57/81/97/495578197.db2.gz RQZGFPFCHJYXNI-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000158918981 495615841 /nfs/dbraw/zinc/61/58/41/495615841.db2.gz NNEBNEXVCDKQRH-HKBOAZHASA-N 2 1 355.526 3.156 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000158918981 495615848 /nfs/dbraw/zinc/61/58/48/495615848.db2.gz NNEBNEXVCDKQRH-HKBOAZHASA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000158918981 495615851 /nfs/dbraw/zinc/61/58/51/495615851.db2.gz NNEBNEXVCDKQRH-HKBOAZHASA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000158918981 495615858 /nfs/dbraw/zinc/61/58/58/495615858.db2.gz NNEBNEXVCDKQRH-HKBOAZHASA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000158918981 495615863 /nfs/dbraw/zinc/61/58/63/495615863.db2.gz NNEBNEXVCDKQRH-HKBOAZHASA-N 2 1 355.526 3.156 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602551 505794346 /nfs/dbraw/zinc/79/43/46/505794346.db2.gz JYPNHYJLZHBADH-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)c(F)c1 ZINC000182666087 495655263 /nfs/dbraw/zinc/65/52/63/495655263.db2.gz GPDCODMUXAYVQU-KHYOSLBOSA-N 2 1 356.457 3.131 20 0 FGADMP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000176461929 495657837 /nfs/dbraw/zinc/65/78/37/495657837.db2.gz FLWRRVMUHPHTOV-UHFFFAOYSA-N 2 1 372.513 3.051 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000176461929 495657840 /nfs/dbraw/zinc/65/78/40/495657840.db2.gz FLWRRVMUHPHTOV-UHFFFAOYSA-N 2 1 372.513 3.051 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000176461929 495657845 /nfs/dbraw/zinc/65/78/45/495657845.db2.gz FLWRRVMUHPHTOV-UHFFFAOYSA-N 2 1 372.513 3.051 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000176461929 495657850 /nfs/dbraw/zinc/65/78/50/495657850.db2.gz FLWRRVMUHPHTOV-UHFFFAOYSA-N 2 1 372.513 3.051 20 0 FGADMP Brc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150861962 495660494 /nfs/dbraw/zinc/66/04/94/495660494.db2.gz LGFQZYAOXVNRKD-HNNXBMFYSA-N 2 1 353.304 3.246 20 0 FGADMP Brc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150861962 495660501 /nfs/dbraw/zinc/66/05/01/495660501.db2.gz LGFQZYAOXVNRKD-HNNXBMFYSA-N 2 1 353.304 3.246 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869571 505797102 /nfs/dbraw/zinc/79/71/02/505797102.db2.gz UITIKFALLACQSP-DJIMGWMZSA-N 2 1 369.431 3.056 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000571721026 505798145 /nfs/dbraw/zinc/79/81/45/505798145.db2.gz BXNFWLLZHPHUCE-VTLFHKLASA-N 2 1 371.569 3.493 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CC1CCC(c2ccccc2)CC1 ZINC000571721026 505798148 /nfs/dbraw/zinc/79/81/48/505798148.db2.gz BXNFWLLZHPHUCE-VTLFHKLASA-N 2 1 371.569 3.493 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756865 495713783 /nfs/dbraw/zinc/71/37/83/495713783.db2.gz ACTTWQCHSHJQKG-HKUYNNGSSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756865 495713788 /nfs/dbraw/zinc/71/37/88/495713788.db2.gz ACTTWQCHSHJQKG-HKUYNNGSSA-N 2 1 355.526 3.208 20 0 FGADMP COCC1=CC[NH+](Cc2cccc(C[N@@H+]3CC=C(COC)CC3)c2)CC1 ZINC000185827164 495740814 /nfs/dbraw/zinc/74/08/14/495740814.db2.gz ONIIQEGFTYEAAQ-UHFFFAOYSA-N 2 1 356.510 3.244 20 0 FGADMP Cc1cnccc1NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179817398 495746845 /nfs/dbraw/zinc/74/68/45/495746845.db2.gz GGMUEBUKNAYWCM-VQTJNVASSA-N 2 1 373.545 3.191 20 0 FGADMP Fc1ccc(-n2ccc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)cc1 ZINC000173958640 495765040 /nfs/dbraw/zinc/76/50/40/495765040.db2.gz BMNYLAYLNRFRLU-UHFFFAOYSA-N 2 1 372.488 3.088 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@H](C)C1 ZINC000151195030 495768346 /nfs/dbraw/zinc/76/83/46/495768346.db2.gz LERMQLYTIREVEL-UZLBHIALSA-N 2 1 352.494 3.199 20 0 FGADMP CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962207 495777234 /nfs/dbraw/zinc/77/72/34/495777234.db2.gz VBBPVPWFSVSGAE-RBUKOAKNSA-N 2 1 374.573 3.096 20 0 FGADMP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000154971672 495788808 /nfs/dbraw/zinc/78/88/08/495788808.db2.gz VUHSUMJQWWJYQH-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000580639856 505803995 /nfs/dbraw/zinc/80/39/95/505803995.db2.gz QQCUFBMUCXMWDN-MRXNPFEDSA-N 2 1 352.544 3.442 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325735 495805997 /nfs/dbraw/zinc/80/59/97/495805997.db2.gz JALXNBKARLUSJU-KNQAVFIVSA-N 2 1 370.541 3.158 20 0 FGADMP CC[C@@H]1Oc2cc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3C)ccc2NC1=O ZINC000180005968 495819783 /nfs/dbraw/zinc/81/97/83/495819783.db2.gz RQDNDGVBMDBKOH-KDOFPFPSSA-N 2 1 356.470 3.432 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3ccc(OC(F)(F)F)cc32)CC1 ZINC000151381436 495822121 /nfs/dbraw/zinc/82/21/21/495822121.db2.gz WNGURDVHNWYJKV-KRWDZBQOSA-N 2 1 358.404 3.009 20 0 FGADMP COCc1noc([C@@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000183081400 495826631 /nfs/dbraw/zinc/82/66/31/495826631.db2.gz QILDKRKHOYGMEO-OAHLLOKOSA-N 2 1 373.501 3.167 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@]2(C)Cc2ccccc2)CC1 ZINC000186036977 495830948 /nfs/dbraw/zinc/83/09/48/495830948.db2.gz QLFSTTFGSHEAQV-JOCHJYFZSA-N 2 1 357.542 3.073 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000151417391 495833125 /nfs/dbraw/zinc/83/31/25/495833125.db2.gz FYBREIOCFDPWJY-FQEVSTJZSA-N 2 1 373.541 3.244 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccccc3OC)C2=O)CC1 ZINC000151417391 495833129 /nfs/dbraw/zinc/83/31/29/495833129.db2.gz FYBREIOCFDPWJY-FQEVSTJZSA-N 2 1 373.541 3.244 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139517 495850748 /nfs/dbraw/zinc/85/07/48/495850748.db2.gz JBKLOUHWICZRSH-VABKMULXSA-N 2 1 369.553 3.135 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccc(C)c2)cc1 ZINC000183145755 495853855 /nfs/dbraw/zinc/85/38/55/495853855.db2.gz CIBKRAOZZMNPDV-QGZVFWFLSA-N 2 1 362.477 3.456 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404885 495944285 /nfs/dbraw/zinc/94/42/85/495944285.db2.gz RCJRPLRXKFQROJ-PMACEKPBSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404885 495944291 /nfs/dbraw/zinc/94/42/91/495944291.db2.gz RCJRPLRXKFQROJ-PMACEKPBSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404885 495944296 /nfs/dbraw/zinc/94/42/96/495944296.db2.gz RCJRPLRXKFQROJ-PMACEKPBSA-N 2 1 372.484 3.019 20 0 FGADMP CN(C)C(=O)CC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000180330650 495954033 /nfs/dbraw/zinc/95/40/33/495954033.db2.gz FUPNLZPJFPONKF-UHFFFAOYSA-N 2 1 359.558 3.335 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc2)cc1 ZINC000180467193 496006871 /nfs/dbraw/zinc/00/68/71/496006871.db2.gz CDNFVMJDRLCSLS-QHCPKHFHSA-N 2 1 367.537 3.402 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CC3 ZINC000180516177 496028853 /nfs/dbraw/zinc/02/88/53/496028853.db2.gz WXPVVILVVYSQPA-ZWKOTPCHSA-N 2 1 355.526 3.160 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000183553896 496029344 /nfs/dbraw/zinc/02/93/44/496029344.db2.gz XLYXNBSKDMBHQQ-XMSQKQJNSA-N 2 1 370.541 3.053 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc4ccccc4n3C)CC2)C[C@@H](C)O1 ZINC000177500436 496087919 /nfs/dbraw/zinc/08/79/19/496087919.db2.gz KNFMSUKBYPGHIQ-QZTJIDSGSA-N 2 1 370.541 3.285 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177545032 496105877 /nfs/dbraw/zinc/10/58/77/496105877.db2.gz ZGWIOMWOZDHXKP-UHFFFAOYSA-N 2 1 361.534 3.068 20 0 FGADMP C[C@@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840952 505824925 /nfs/dbraw/zinc/82/49/25/505824925.db2.gz BKJLLCMYNFNYRO-CGVQKBNFSA-N 2 1 373.585 3.314 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840952 505824930 /nfs/dbraw/zinc/82/49/30/505824930.db2.gz BKJLLCMYNFNYRO-CGVQKBNFSA-N 2 1 373.585 3.314 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840952 505824932 /nfs/dbraw/zinc/82/49/32/505824932.db2.gz BKJLLCMYNFNYRO-CGVQKBNFSA-N 2 1 373.585 3.314 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H](C)c1cccc(OC)c1 ZINC000172246206 496226246 /nfs/dbraw/zinc/22/62/46/496226246.db2.gz WEZXDEJROIOPGP-KRWDZBQOSA-N 2 1 361.530 3.067 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780609 496236914 /nfs/dbraw/zinc/23/69/14/496236914.db2.gz OCICMPDKYJMKIE-FRQCXROJSA-N 2 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780609 496236921 /nfs/dbraw/zinc/23/69/21/496236921.db2.gz OCICMPDKYJMKIE-FRQCXROJSA-N 3 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000161780609 496236925 /nfs/dbraw/zinc/23/69/25/496236925.db2.gz OCICMPDKYJMKIE-FRQCXROJSA-N 3 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@@H]3CCOC3)CC2)cs1 ZINC000161789603 496238450 /nfs/dbraw/zinc/23/84/50/496238450.db2.gz OLOOFHFPWXXUEO-SJLPKXTDSA-N 2 1 351.560 3.322 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@H](C)C1 ZINC000152778961 496254419 /nfs/dbraw/zinc/25/44/19/496254419.db2.gz UHVXGGCCMTVVBD-VQIMIIECSA-N 2 1 352.494 3.451 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@H](C)C1 ZINC000152778961 496254421 /nfs/dbraw/zinc/25/44/21/496254421.db2.gz UHVXGGCCMTVVBD-VQIMIIECSA-N 2 1 352.494 3.451 20 0 FGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184178972 496273608 /nfs/dbraw/zinc/27/36/08/496273608.db2.gz IYXHYBJZPMJBJE-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP COc1ccc(C[N@@H+](Cc2cccc3nccn32)[C@H](CO)C(C)C)cc1 ZINC000181153668 496290281 /nfs/dbraw/zinc/29/02/81/496290281.db2.gz FVFMXVJKECVFFB-HXUWFJFHSA-N 2 1 353.466 3.362 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000580776103 505835825 /nfs/dbraw/zinc/83/58/25/505835825.db2.gz MKWVOTCOIFPWKY-GCJKJVERSA-N 2 1 357.542 3.364 20 0 FGADMP CC[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)[N@H+](C)Cc1ccccc1 ZINC000569043673 505836851 /nfs/dbraw/zinc/83/68/51/505836851.db2.gz NSDWYVPPZZDXGJ-UXHICEINSA-N 2 1 354.498 3.093 20 0 FGADMP CC[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C)[N@@H+](C)Cc1ccccc1 ZINC000569043673 505836856 /nfs/dbraw/zinc/83/68/56/505836856.db2.gz NSDWYVPPZZDXGJ-UXHICEINSA-N 2 1 354.498 3.093 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000578006717 505840081 /nfs/dbraw/zinc/84/00/81/505840081.db2.gz QJSICKUAZTXVCT-IBGZPJMESA-N 2 1 363.505 3.372 20 0 FGADMP C[C@@H]1C[C@H](N(C)CC(=O)NCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000156983297 496378940 /nfs/dbraw/zinc/37/89/40/496378940.db2.gz XSYVELWRNNKAKC-IEBWSBKVSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000157078697 496401036 /nfs/dbraw/zinc/40/10/36/496401036.db2.gz NGFGKWZDPDIGKS-UYAOXDASSA-N 2 1 369.509 3.223 20 0 FGADMP C[C@@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000157079003 496401322 /nfs/dbraw/zinc/40/13/22/496401322.db2.gz NGFGKWZDPDIGKS-QUCCMNQESA-N 2 1 369.509 3.223 20 0 FGADMP COc1cc([C@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000184506706 496415890 /nfs/dbraw/zinc/41/58/90/496415890.db2.gz FSEYWOINUQMXDG-CVEARBPZSA-N 2 1 368.543 3.014 20 0 FGADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000172864377 496466162 /nfs/dbraw/zinc/46/61/62/496466162.db2.gz XFKCAMIANUQWPH-DLBZAZTESA-N 2 1 361.555 3.294 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640600 496478078 /nfs/dbraw/zinc/47/80/78/496478078.db2.gz IIXLNEVKIQAZAU-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640600 496478081 /nfs/dbraw/zinc/47/80/81/496478081.db2.gz IIXLNEVKIQAZAU-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640600 496478087 /nfs/dbraw/zinc/47/80/87/496478087.db2.gz IIXLNEVKIQAZAU-GGPKGHCWSA-N 2 1 360.546 3.021 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214929 496482190 /nfs/dbraw/zinc/48/21/90/496482190.db2.gz IYWOJRSXHVGZOV-RDJZCZTQSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000580827916 505847658 /nfs/dbraw/zinc/84/76/58/505847658.db2.gz FKVZZVQMFXPCPQ-YZVOILCLSA-N 2 1 350.528 3.052 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000157665257 496525501 /nfs/dbraw/zinc/52/55/01/496525501.db2.gz DMBZTJBPBBBQOQ-HNNXBMFYSA-N 2 1 370.900 3.359 20 0 FGADMP COc1ccc(Br)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000178744699 496557278 /nfs/dbraw/zinc/55/72/78/496557278.db2.gz UGMGLIRQQJYXTM-LBPRGKRZSA-N 2 1 352.276 3.389 20 0 FGADMP CC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000184923856 496586148 /nfs/dbraw/zinc/58/61/48/496586148.db2.gz LHFFOOAJLACTSV-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184929150 496589870 /nfs/dbraw/zinc/58/98/70/496589870.db2.gz XMBCVKQGUFNYNK-JXFKEZNVSA-N 2 1 357.473 3.238 20 0 FGADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184929150 496589875 /nfs/dbraw/zinc/58/98/75/496589875.db2.gz XMBCVKQGUFNYNK-JXFKEZNVSA-N 2 1 357.473 3.238 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000574786826 505855558 /nfs/dbraw/zinc/85/55/58/505855558.db2.gz BCMHQSJEFGCLSG-HRAATJIYSA-N 2 1 367.497 3.027 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000164727959 496629900 /nfs/dbraw/zinc/62/99/00/496629900.db2.gz UCZKOIAVMFNMAG-CWRNSKLLSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000164727959 496629903 /nfs/dbraw/zinc/62/99/03/496629903.db2.gz UCZKOIAVMFNMAG-CWRNSKLLSA-N 2 1 352.320 3.100 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000164994962 496643909 /nfs/dbraw/zinc/64/39/09/496643909.db2.gz AIEHZAPXDYQZBN-UZLBHIALSA-N 2 1 355.482 3.030 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000164994962 496643913 /nfs/dbraw/zinc/64/39/13/496643913.db2.gz AIEHZAPXDYQZBN-UZLBHIALSA-N 2 1 355.482 3.030 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507230 496687597 /nfs/dbraw/zinc/68/75/97/496687597.db2.gz VVULJLDURUCGMH-YSIASYRMSA-N 2 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507230 496687602 /nfs/dbraw/zinc/68/76/02/496687602.db2.gz VVULJLDURUCGMH-YSIASYRMSA-N 3 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507230 496687606 /nfs/dbraw/zinc/68/76/06/496687606.db2.gz VVULJLDURUCGMH-YSIASYRMSA-N 3 1 374.548 3.245 20 0 FGADMP FC(F)(F)c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689114 /nfs/dbraw/zinc/68/91/14/496689114.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689116 /nfs/dbraw/zinc/68/91/16/496689116.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689121 /nfs/dbraw/zinc/68/91/21/496689121.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689125 /nfs/dbraw/zinc/68/91/25/496689125.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166611071 496689129 /nfs/dbraw/zinc/68/91/29/496689129.db2.gz MVBKEULSXUHSTI-CEXWTWQISA-N 2 1 367.459 3.496 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000185198694 496701153 /nfs/dbraw/zinc/70/11/53/496701153.db2.gz JSIVFHURECKKBW-UHFFFAOYSA-N 2 1 353.495 3.389 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000182254601 496720413 /nfs/dbraw/zinc/72/04/13/496720413.db2.gz HJUXFDIXFOCECR-RTWAWAEBSA-N 2 1 372.557 3.154 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C12CCCCC2 ZINC000182261766 496722716 /nfs/dbraw/zinc/72/27/16/496722716.db2.gz ZCAZHTKIXFDSLO-FDFHNCONSA-N 2 1 372.553 3.471 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185320191 496728674 /nfs/dbraw/zinc/72/86/74/496728674.db2.gz FADTYEFJASSDPN-SFHVURJKSA-N 2 1 360.546 3.012 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NCc2ccc(F)cc2)C1 ZINC000247001686 496748301 /nfs/dbraw/zinc/74/83/01/496748301.db2.gz OYZHXBMXPRFVQH-MJGOQNOKSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C[C@H]1C ZINC000574835234 505864281 /nfs/dbraw/zinc/86/42/81/505864281.db2.gz BLCFLOULYFEXIL-YXYSEUPNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C[C@H]1C ZINC000574835234 505864287 /nfs/dbraw/zinc/86/42/87/505864287.db2.gz BLCFLOULYFEXIL-YXYSEUPNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C[C@H]1C ZINC000574835234 505864292 /nfs/dbraw/zinc/86/42/92/505864292.db2.gz BLCFLOULYFEXIL-YXYSEUPNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247073736 496771446 /nfs/dbraw/zinc/77/14/46/496771446.db2.gz OKLGWEJNJRVBAI-CVEARBPZSA-N 2 1 351.922 3.008 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000247110584 496781471 /nfs/dbraw/zinc/78/14/71/496781471.db2.gz LKBIJOJRTICGFE-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000247110584 496781475 /nfs/dbraw/zinc/78/14/75/496781475.db2.gz LKBIJOJRTICGFE-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP c1csc(C[NH+]2CCC(C[NH2+][C@@H](c3ncc[nH]3)c3cccnc3)CC2)c1 ZINC000195014337 496790832 /nfs/dbraw/zinc/79/08/32/496790832.db2.gz KRXXKZCTTFCXDA-LJQANCHMSA-N 2 1 367.522 3.457 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247156467 496794531 /nfs/dbraw/zinc/79/45/31/496794531.db2.gz TXMDTLCCUAVWRP-STZQEDGTSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H](C1CCCCC1)[NH+](C)C ZINC000247156467 496794537 /nfs/dbraw/zinc/79/45/37/496794537.db2.gz TXMDTLCCUAVWRP-STZQEDGTSA-N 2 1 358.574 3.392 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268825285 496797092 /nfs/dbraw/zinc/79/70/92/496797092.db2.gz YSWUMGWQPNYHPR-OAQYLSRUSA-N 2 1 372.484 3.164 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872335 496810294 /nfs/dbraw/zinc/81/02/94/496810294.db2.gz KSNYIKBDHIEFSL-IRLDBZIGSA-N 2 1 371.569 3.132 20 0 FGADMP COCCC[C@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268872890 496810333 /nfs/dbraw/zinc/81/03/33/496810333.db2.gz UXRLKMPIEKVVJR-SFHVURJKSA-N 2 1 364.530 3.081 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[NH+](C)C2)cc1 ZINC000247240722 496813317 /nfs/dbraw/zinc/81/33/17/496813317.db2.gz VGNPQBPWTBIBBT-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000247240722 496813322 /nfs/dbraw/zinc/81/33/22/496813322.db2.gz VGNPQBPWTBIBBT-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000247240722 496813328 /nfs/dbraw/zinc/81/33/28/496813328.db2.gz VGNPQBPWTBIBBT-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1)C(C)C ZINC000247300068 496829644 /nfs/dbraw/zinc/82/96/44/496829644.db2.gz OXZBWTGZCFYCAE-LEWJYISDSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1)C(C)C ZINC000247300068 496829648 /nfs/dbraw/zinc/82/96/48/496829648.db2.gz OXZBWTGZCFYCAE-LEWJYISDSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1)C(C)C ZINC000247300068 496829653 /nfs/dbraw/zinc/82/96/53/496829653.db2.gz OXZBWTGZCFYCAE-LEWJYISDSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@@H]1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@H]1n1ccnc1 ZINC000247327031 496836460 /nfs/dbraw/zinc/83/64/60/496836460.db2.gz GGYWPNWGVNEKCW-YLJYHZDGSA-N 2 1 367.497 3.005 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000247355165 496842934 /nfs/dbraw/zinc/84/29/34/496842934.db2.gz PRQVPWASUYXNPC-PZJWPPBQSA-N 2 1 372.557 3.115 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000195299813 496881298 /nfs/dbraw/zinc/88/12/98/496881298.db2.gz LHJXUALWSWMQSF-JOCHJYFZSA-N 2 1 365.521 3.113 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000269258908 496905648 /nfs/dbraw/zinc/90/56/48/496905648.db2.gz LKYRCCYUMRGBNK-UBBRYJJRSA-N 2 1 365.521 3.349 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247687273 496905659 /nfs/dbraw/zinc/90/56/59/496905659.db2.gz VGJXFHVAISBRAB-ABSDTBQOSA-N 2 1 368.949 3.442 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247687273 496905662 /nfs/dbraw/zinc/90/56/62/496905662.db2.gz VGJXFHVAISBRAB-ABSDTBQOSA-N 2 1 368.949 3.442 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C1CC1 ZINC000247977932 496937129 /nfs/dbraw/zinc/93/71/29/496937129.db2.gz LQUVSDMJUJFQJH-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195619874 496954817 /nfs/dbraw/zinc/95/48/17/496954817.db2.gz CZPFYYDYLORWMV-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195619874 496954819 /nfs/dbraw/zinc/95/48/19/496954819.db2.gz CZPFYYDYLORWMV-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195619874 496954823 /nfs/dbraw/zinc/95/48/23/496954823.db2.gz CZPFYYDYLORWMV-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000248181451 496969265 /nfs/dbraw/zinc/96/92/65/496969265.db2.gz WMXSVZGUSGDPNN-OLMNPRSZSA-N 2 1 355.448 3.352 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000248181451 496969268 /nfs/dbraw/zinc/96/92/68/496969268.db2.gz WMXSVZGUSGDPNN-OLMNPRSZSA-N 2 1 355.448 3.352 20 0 FGADMP Fc1ccccc1-c1noc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000189126735 497016180 /nfs/dbraw/zinc/01/61/80/497016180.db2.gz XQXKMJLAQHSQCZ-RDTXWAMCSA-N 2 1 356.445 3.324 20 0 FGADMP C[C@@H](CCNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000248455596 497017632 /nfs/dbraw/zinc/01/76/32/497017632.db2.gz MOUJSFBHVYUQDB-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000269893052 497019750 /nfs/dbraw/zinc/01/97/50/497019750.db2.gz RLNNALPWGJOGGN-KRWDZBQOSA-N 2 1 355.320 3.287 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000269893052 497019753 /nfs/dbraw/zinc/01/97/53/497019753.db2.gz RLNNALPWGJOGGN-KRWDZBQOSA-N 2 1 355.320 3.287 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213748 505880195 /nfs/dbraw/zinc/88/01/95/505880195.db2.gz AYOXUFVFSYGOEH-JKSUJKDBSA-N 2 1 374.447 3.013 20 0 FGADMP C[N@@H+](CCOCC(F)(F)C(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482907 497131892 /nfs/dbraw/zinc/13/18/92/497131892.db2.gz AUSKLDDTIGSSFW-MRXNPFEDSA-N 2 1 362.411 3.357 20 0 FGADMP C[NH+](CCOCC(F)(F)C(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189482907 497131898 /nfs/dbraw/zinc/13/18/98/497131898.db2.gz AUSKLDDTIGSSFW-MRXNPFEDSA-N 2 1 362.411 3.357 20 0 FGADMP C[NH+](CCOCC(F)(F)C(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482907 497131903 /nfs/dbraw/zinc/13/19/03/497131903.db2.gz AUSKLDDTIGSSFW-MRXNPFEDSA-N 2 1 362.411 3.357 20 0 FGADMP C[C@H]([NH2+]CCCN1CCCO[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502244 497136456 /nfs/dbraw/zinc/13/64/56/497136456.db2.gz LRLGRLOHZVFDGW-OALUTQOASA-N 2 1 356.514 3.083 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502244 497136460 /nfs/dbraw/zinc/13/64/60/497136460.db2.gz LRLGRLOHZVFDGW-OALUTQOASA-N 2 1 356.514 3.083 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000278502244 497136464 /nfs/dbraw/zinc/13/64/64/497136464.db2.gz LRLGRLOHZVFDGW-OALUTQOASA-N 2 1 356.514 3.083 20 0 FGADMP CC(C)Sc1cccc(Cl)c1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000192547442 497146204 /nfs/dbraw/zinc/14/62/04/497146204.db2.gz JQBJLYCTBHJFEI-UHFFFAOYSA-N 2 1 369.962 3.094 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1F ZINC000249021792 497150868 /nfs/dbraw/zinc/15/08/68/497150868.db2.gz QUUFQNFJBUKVIU-HKUYNNGSSA-N 2 1 364.505 3.057 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249277242 497185881 /nfs/dbraw/zinc/18/58/81/497185881.db2.gz DPWAURXDFKGFAI-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)C[NH2+]C[C@H]1CCCO1)C1CCCCC1 ZINC000237166937 497200535 /nfs/dbraw/zinc/20/05/35/497200535.db2.gz UJBUJQZYGWFGLF-LJQANCHMSA-N 2 1 359.514 3.158 20 0 FGADMP COc1ccc([C@H]2[C@H](CNC(=O)CCCCCC[NH3+])CCC[N@H+]2C)cc1 ZINC000237279555 497214905 /nfs/dbraw/zinc/21/49/05/497214905.db2.gz OEQJIHKOMZSZLC-RXVVDRJESA-N 2 1 361.530 3.104 20 0 FGADMP C[C@H](c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237399398 497231068 /nfs/dbraw/zinc/23/10/68/497231068.db2.gz VSIFVZUHQOVERO-UZLBHIALSA-N 2 1 353.466 3.108 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249710875 497235100 /nfs/dbraw/zinc/23/51/00/497235100.db2.gz YDANRJTYZKXVKF-QAPCUYQASA-N 2 1 369.347 3.207 20 0 FGADMP C[C@H](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237456178 497240335 /nfs/dbraw/zinc/24/03/35/497240335.db2.gz XAIRAYXSWWRYGA-NQIIRXRSSA-N 2 1 353.510 3.493 20 0 FGADMP COCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192932207 497250753 /nfs/dbraw/zinc/25/07/53/497250753.db2.gz LDIQEAWSIGJTJY-NRFANRHFSA-N 2 1 354.494 3.324 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192934844 497251020 /nfs/dbraw/zinc/25/10/20/497251020.db2.gz FTYISRLYPYVSTC-IBGZPJMESA-N 2 1 373.541 3.498 20 0 FGADMP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)CC[NH2+]C1 ZINC000237541415 497253203 /nfs/dbraw/zinc/25/32/03/497253203.db2.gz NRMFHXPCHFLNFL-SFHVURJKSA-N 2 1 370.324 3.074 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117391 505894406 /nfs/dbraw/zinc/89/44/06/505894406.db2.gz HPXRXBAAPUHKRO-LEWJYISDSA-N 2 1 357.542 3.379 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237589351 497260619 /nfs/dbraw/zinc/26/06/19/497260619.db2.gz LPCAYGACEOZYSZ-NMACRGETSA-N 2 1 352.482 3.279 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000237673944 497273630 /nfs/dbraw/zinc/27/36/30/497273630.db2.gz CDXRCRYCTMQLJI-UWJYYQICSA-N 2 1 351.494 3.235 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189890640 497282115 /nfs/dbraw/zinc/28/21/15/497282115.db2.gz VZBRLQUNWSJTKA-MRXNPFEDSA-N 2 1 357.502 3.225 20 0 FGADMP c1cn2c(n1)CC[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010219 497302428 /nfs/dbraw/zinc/30/24/28/497302428.db2.gz SUTQMPGNAUMPSO-NCYKPQTJSA-N 2 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010219 497302432 /nfs/dbraw/zinc/30/24/32/497302432.db2.gz SUTQMPGNAUMPSO-NCYKPQTJSA-N 3 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010219 497302438 /nfs/dbraw/zinc/30/24/38/497302438.db2.gz SUTQMPGNAUMPSO-NCYKPQTJSA-N 3 1 350.510 3.231 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529109 497374462 /nfs/dbraw/zinc/37/44/62/497374462.db2.gz QRQLAYFWMOVUTL-JQFCIGGWSA-N 2 1 354.441 3.316 20 0 FGADMP c1ccc(C[NH+](CCOCC[N@@H+](Cc2ccccn2)C2CC2)C2CC2)nc1 ZINC000271557040 497381970 /nfs/dbraw/zinc/38/19/70/497381970.db2.gz PBUJEXYPXFPDDD-UHFFFAOYSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@@H+]1C ZINC000279343013 497412938 /nfs/dbraw/zinc/41/29/38/497412938.db2.gz DSKFDRUWDNPKHA-ROUUACIJSA-N 2 1 369.509 3.258 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+](C)Cc2ccco2)CC[N@H+]1C ZINC000279343013 497412944 /nfs/dbraw/zinc/41/29/44/497412944.db2.gz DSKFDRUWDNPKHA-ROUUACIJSA-N 2 1 369.509 3.258 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@H+](C)Cc2ccco2)CC[NH+]1C ZINC000279343013 497412947 /nfs/dbraw/zinc/41/29/47/497412947.db2.gz DSKFDRUWDNPKHA-ROUUACIJSA-N 2 1 369.509 3.258 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)Cc2ccco2)CC[NH+]1C ZINC000279343013 497412952 /nfs/dbraw/zinc/41/29/52/497412952.db2.gz DSKFDRUWDNPKHA-ROUUACIJSA-N 2 1 369.509 3.258 20 0 FGADMP Cc1ccc(NC(=O)NC(=O)[C@@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000245450958 497414770 /nfs/dbraw/zinc/41/47/70/497414770.db2.gz PBOAGCZONKQHMI-QZTJIDSGSA-N 2 1 374.529 3.146 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455084 497415855 /nfs/dbraw/zinc/41/58/55/497415855.db2.gz SKELIQBRAYTHSQ-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455084 497415860 /nfs/dbraw/zinc/41/58/60/497415860.db2.gz SKELIQBRAYTHSQ-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455084 497415863 /nfs/dbraw/zinc/41/58/63/497415863.db2.gz SKELIQBRAYTHSQ-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000245455084 497415867 /nfs/dbraw/zinc/41/58/67/497415867.db2.gz SKELIQBRAYTHSQ-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261597118 497416079 /nfs/dbraw/zinc/41/60/79/497416079.db2.gz ACGFGRHLQROYOI-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261597118 497416082 /nfs/dbraw/zinc/41/60/82/497416082.db2.gz ACGFGRHLQROYOI-CXAGYDPISA-N 2 1 370.324 3.074 20 0 FGADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261685989 497433722 /nfs/dbraw/zinc/43/37/22/497433722.db2.gz AOTPIROMEOJLJJ-KRWDZBQOSA-N 2 1 350.388 3.281 20 0 FGADMP FC(F)(F)c1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261685989 497433727 /nfs/dbraw/zinc/43/37/27/497433727.db2.gz AOTPIROMEOJLJJ-KRWDZBQOSA-N 2 1 350.388 3.281 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)CC2)n[nH]1 ZINC000275847377 497446095 /nfs/dbraw/zinc/44/60/95/497446095.db2.gz HRFMKZNVQJFCEL-WIYYLYMNSA-N 2 1 367.541 3.330 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)CC2)n[nH]1 ZINC000275847377 497446101 /nfs/dbraw/zinc/44/61/01/497446101.db2.gz HRFMKZNVQJFCEL-WIYYLYMNSA-N 2 1 367.541 3.330 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000275872910 497453287 /nfs/dbraw/zinc/45/32/87/497453287.db2.gz NZFSUXRGOIHJTD-CHDDOINTSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245559824 497457073 /nfs/dbraw/zinc/45/70/73/497457073.db2.gz BQRJRVKVFNRXEG-SJORKVTESA-N 2 1 354.498 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C ZINC000245559824 497457076 /nfs/dbraw/zinc/45/70/76/497457076.db2.gz BQRJRVKVFNRXEG-SJORKVTESA-N 2 1 354.498 3.270 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261951855 497480973 /nfs/dbraw/zinc/48/09/73/497480973.db2.gz GAKAXGXISDYRAS-FQEVSTJZSA-N 2 1 358.917 3.387 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261951855 497480975 /nfs/dbraw/zinc/48/09/75/497480975.db2.gz GAKAXGXISDYRAS-FQEVSTJZSA-N 2 1 358.917 3.387 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cc1)C1CC1 ZINC000262027302 497494754 /nfs/dbraw/zinc/49/47/54/497494754.db2.gz BBOPEWKYVZCROO-JOCHJYFZSA-N 2 1 363.505 3.288 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000245668815 497494994 /nfs/dbraw/zinc/49/49/94/497494994.db2.gz FCTXJPYNMWFTFH-GUDVDZBRSA-N 2 1 374.529 3.075 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000262132426 497513164 /nfs/dbraw/zinc/51/31/64/497513164.db2.gz LPZQTDXRKHTSPI-UHFFFAOYSA-N 2 1 368.319 3.018 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000262169437 497518952 /nfs/dbraw/zinc/51/89/52/497518952.db2.gz QGILKMIGPBSXKH-PGRDOPGGSA-N 2 1 365.521 3.105 20 0 FGADMP CC(C)(O)[C@@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000245744317 497525603 /nfs/dbraw/zinc/52/56/03/497525603.db2.gz FOVOMZPHHPUJDI-PMACEKPBSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)cs1 ZINC000194027412 497551338 /nfs/dbraw/zinc/55/13/38/497551338.db2.gz AYQRMPVSYYQNHO-CYBMUJFWSA-N 2 1 374.392 3.435 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@H]1c1cccs1 ZINC000262447537 497557508 /nfs/dbraw/zinc/55/75/08/497557508.db2.gz VMJBUKNRWFTSIM-NDUPCHFUSA-N 2 1 361.555 3.027 20 0 FGADMP c1nc(-c2ccccc2)sc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000569355525 505915463 /nfs/dbraw/zinc/91/54/63/505915463.db2.gz PSQODDANJSWHGX-SFHVURJKSA-N 2 1 357.523 3.497 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2Br ZINC000245955321 497583494 /nfs/dbraw/zinc/58/34/94/497583494.db2.gz COVUWXMTGMWURE-KSSFIOAISA-N 2 1 367.331 3.263 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(Cl)cc1 ZINC000194169358 497592533 /nfs/dbraw/zinc/59/25/33/497592533.db2.gz BLOCTZJDGSQMTG-LEWJYISDSA-N 2 1 374.912 3.384 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000246181612 497650483 /nfs/dbraw/zinc/65/04/83/497650483.db2.gz UCEXZQBDQKVSGQ-JOCLIGHLSA-N 2 1 366.933 3.337 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000246181612 497650488 /nfs/dbraw/zinc/65/04/88/497650488.db2.gz UCEXZQBDQKVSGQ-JOCLIGHLSA-N 2 1 366.933 3.337 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000246193210 497655889 /nfs/dbraw/zinc/65/58/89/497655889.db2.gz IOCZNUSWXBBTRK-YLJYHZDGSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000246193210 497655895 /nfs/dbraw/zinc/65/58/95/497655895.db2.gz IOCZNUSWXBBTRK-YLJYHZDGSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246193210 497655899 /nfs/dbraw/zinc/65/58/99/497655899.db2.gz IOCZNUSWXBBTRK-YLJYHZDGSA-N 2 1 360.546 3.008 20 0 FGADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000194410324 497656820 /nfs/dbraw/zinc/65/68/20/497656820.db2.gz OBMQSMAMANCZSB-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(Nc1ccccc1)C1([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000572234149 505920980 /nfs/dbraw/zinc/92/09/80/505920980.db2.gz AYBALUHFDFMMPW-RXVVDRJESA-N 2 1 363.461 3.003 20 0 FGADMP Cn1cc(C[NH2+]Cc2ccncc2OCC[NH+](C)C)c(C2CCCCC2)n1 ZINC000578361177 505922093 /nfs/dbraw/zinc/92/20/93/505922093.db2.gz XLHNNVFJTDQLKR-UHFFFAOYSA-N 2 1 371.529 3.093 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000272667979 497696858 /nfs/dbraw/zinc/69/68/58/497696858.db2.gz JNYLBXPIINAFQZ-HSALFYBXSA-N 2 1 354.498 3.201 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335594 497699597 /nfs/dbraw/zinc/69/95/97/497699597.db2.gz DGUCNUIKDHHUAF-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335594 497699604 /nfs/dbraw/zinc/69/96/04/497699604.db2.gz DGUCNUIKDHHUAF-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335594 497699608 /nfs/dbraw/zinc/69/96/08/497699608.db2.gz DGUCNUIKDHHUAF-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000246339440 497701198 /nfs/dbraw/zinc/70/11/98/497701198.db2.gz GQUUCCUVVKOJEM-HSALFYBXSA-N 2 1 362.489 3.397 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000246347972 497703824 /nfs/dbraw/zinc/70/38/24/497703824.db2.gz JOSYUAHWYBHFJM-AABGKKOBSA-N 2 1 364.578 3.157 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272730602 497715142 /nfs/dbraw/zinc/71/51/42/497715142.db2.gz ZRHSHRQBIXVHEK-DSKNIHGZSA-N 2 1 369.553 3.324 20 0 FGADMP C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1=CC[N@H+](C)CC1 ZINC000272740840 497717920 /nfs/dbraw/zinc/71/79/20/497717920.db2.gz QWHIPMJVAOPDKU-INIZCTEOSA-N 2 1 374.554 3.007 20 0 FGADMP C[C@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1=CC[N@@H+](C)CC1 ZINC000272740840 497717925 /nfs/dbraw/zinc/71/79/25/497717925.db2.gz QWHIPMJVAOPDKU-INIZCTEOSA-N 2 1 374.554 3.007 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246394826 497719171 /nfs/dbraw/zinc/71/91/71/497719171.db2.gz LDQVKMRCXPESQF-HZPDHXFCSA-N 2 1 370.534 3.248 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000246394826 497719177 /nfs/dbraw/zinc/71/91/77/497719177.db2.gz LDQVKMRCXPESQF-HZPDHXFCSA-N 2 1 370.534 3.248 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)C1 ZINC000246416182 497727162 /nfs/dbraw/zinc/72/71/62/497727162.db2.gz LJGIYJYEDGEKTM-QRVBRYPASA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)C1 ZINC000246416182 497727169 /nfs/dbraw/zinc/72/71/69/497727169.db2.gz LJGIYJYEDGEKTM-QRVBRYPASA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)C1 ZINC000246416182 497727174 /nfs/dbraw/zinc/72/71/74/497727174.db2.gz LJGIYJYEDGEKTM-QRVBRYPASA-N 2 1 366.594 3.259 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000246433885 497733171 /nfs/dbraw/zinc/73/31/71/497733171.db2.gz OCGUVPHKZBYZKQ-FZMZJTMJSA-N 2 1 365.827 3.453 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472715 497746254 /nfs/dbraw/zinc/74/62/54/497746254.db2.gz GVCFRNLCZQRFRE-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246472715 497746258 /nfs/dbraw/zinc/74/62/58/497746258.db2.gz GVCFRNLCZQRFRE-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246472715 497746263 /nfs/dbraw/zinc/74/62/63/497746263.db2.gz GVCFRNLCZQRFRE-TYPHKJRUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000277134551 497751544 /nfs/dbraw/zinc/75/15/44/497751544.db2.gz OSZOIXNZLGSFRS-NQIIRXRSSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000277134551 497751548 /nfs/dbraw/zinc/75/15/48/497751548.db2.gz OSZOIXNZLGSFRS-NQIIRXRSSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@H](C(=O)N1CCCc2ccccc21)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734656 497754053 /nfs/dbraw/zinc/75/40/53/497754053.db2.gz YSARIFWNUTUMEN-GOSISDBHSA-N 2 1 355.526 3.162 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194753395 497759812 /nfs/dbraw/zinc/75/98/12/497759812.db2.gz WTFOYZWPKZIXMX-LJQANCHMSA-N 2 1 354.498 3.035 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194753395 497759820 /nfs/dbraw/zinc/75/98/20/497759820.db2.gz WTFOYZWPKZIXMX-LJQANCHMSA-N 2 1 354.498 3.035 20 0 FGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3nccn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000191280445 497767056 /nfs/dbraw/zinc/76/70/56/497767056.db2.gz LVFXYLGNVLIYBL-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@H](C)O1 ZINC000191280445 497767062 /nfs/dbraw/zinc/76/70/62/497767062.db2.gz LVFXYLGNVLIYBL-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000246639877 497793445 /nfs/dbraw/zinc/79/34/45/497793445.db2.gz ZIVGHUBOVUOKPU-TWHPPBISSA-N 2 1 357.542 3.417 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000246639877 497793446 /nfs/dbraw/zinc/79/34/46/497793446.db2.gz ZIVGHUBOVUOKPU-TWHPPBISSA-N 2 1 357.542 3.417 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000246867197 497817565 /nfs/dbraw/zinc/81/75/65/497817565.db2.gz HCIRGHFFAGRKNX-UGKGYDQZSA-N 2 1 371.569 3.130 20 0 FGADMP C[NH+](C)CCCCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000299690055 497897244 /nfs/dbraw/zinc/89/72/44/497897244.db2.gz ZEFFVKQJEXYBAK-UHFFFAOYSA-N 2 1 353.510 3.390 20 0 FGADMP C[C@H]([NH2+]CCc1cnc(C2CC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000364357380 497917553 /nfs/dbraw/zinc/91/75/53/497917553.db2.gz RMQPRXLNLIHJDV-UWJYYQICSA-N 2 1 350.510 3.397 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263464 497944608 /nfs/dbraw/zinc/94/46/08/497944608.db2.gz TVBGEZBBZRMUJU-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP c1c(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc2n1CCS2 ZINC000581310183 505957751 /nfs/dbraw/zinc/95/77/51/505957751.db2.gz NTTIZPOMOAAVTI-GOSISDBHSA-N 2 1 368.550 3.318 20 0 FGADMP c1c(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc2n1CCS2 ZINC000581310183 505957752 /nfs/dbraw/zinc/95/77/52/505957752.db2.gz NTTIZPOMOAAVTI-GOSISDBHSA-N 2 1 368.550 3.318 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000364537165 498010017 /nfs/dbraw/zinc/01/00/17/498010017.db2.gz ODRHPKWTHVWJLU-QUCCMNQESA-N 2 1 366.571 3.092 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364537165 498010023 /nfs/dbraw/zinc/01/00/23/498010023.db2.gz ODRHPKWTHVWJLU-QUCCMNQESA-N 2 1 366.571 3.092 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218667 498025722 /nfs/dbraw/zinc/02/57/22/498025722.db2.gz XKUQPDYAFXFGMU-MJGOQNOKSA-N 2 1 355.526 3.208 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000569543512 505959040 /nfs/dbraw/zinc/95/90/40/505959040.db2.gz URZFRNMOBMUPKX-HXUWFJFHSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000569543512 505959043 /nfs/dbraw/zinc/95/90/43/505959043.db2.gz URZFRNMOBMUPKX-HXUWFJFHSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC(C[N@@H+](C)C(C)C)CC2)C1 ZINC000569543512 505959045 /nfs/dbraw/zinc/95/90/45/505959045.db2.gz URZFRNMOBMUPKX-HXUWFJFHSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H](OC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410762 498075499 /nfs/dbraw/zinc/07/54/99/498075499.db2.gz FVIILVIDBNXKGS-YSXQTRAESA-N 2 1 366.933 3.336 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000285410762 498075503 /nfs/dbraw/zinc/07/55/03/498075503.db2.gz FVIILVIDBNXKGS-YSXQTRAESA-N 2 1 366.933 3.336 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000350362686 498087584 /nfs/dbraw/zinc/08/75/84/498087584.db2.gz VQXPSJZBLJPLTP-VQIMIIECSA-N 2 1 350.507 3.050 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000350362686 498087590 /nfs/dbraw/zinc/08/75/90/498087590.db2.gz VQXPSJZBLJPLTP-VQIMIIECSA-N 2 1 350.507 3.050 20 0 FGADMP CN(CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2)C1)Cc1ccco1 ZINC000285463150 498093089 /nfs/dbraw/zinc/09/30/89/498093089.db2.gz AIPHNBHBIOHDAX-LJQANCHMSA-N 2 1 369.509 3.196 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619157 505982822 /nfs/dbraw/zinc/98/28/22/505982822.db2.gz BZQVKNOJIXLCQL-KGLIPLIRSA-N 2 1 361.313 3.055 20 0 FGADMP C([C@H]1CCCOC1)[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983705 /nfs/dbraw/zinc/98/37/05/505983705.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 2 1 350.547 3.018 20 0 FGADMP C([C@H]1CCCOC1)[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983708 /nfs/dbraw/zinc/98/37/08/505983708.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 2 1 350.547 3.018 20 0 FGADMP C([C@H]1CCCOC1)[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611448 505983710 /nfs/dbraw/zinc/98/37/10/505983710.db2.gz DWTMWJGTHLFWTG-QHAWAJNXSA-N 2 1 350.547 3.018 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000578633187 505985421 /nfs/dbraw/zinc/98/54/21/505985421.db2.gz GBYQOEROLRMUSX-IFMALSPDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000578633187 505985423 /nfs/dbraw/zinc/98/54/23/505985423.db2.gz GBYQOEROLRMUSX-IFMALSPDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000578633187 505985427 /nfs/dbraw/zinc/98/54/27/505985427.db2.gz GBYQOEROLRMUSX-IFMALSPDSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](C[C@H](O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC1 ZINC000289443170 498148180 /nfs/dbraw/zinc/14/81/80/498148180.db2.gz ZDIVXQWFDQAIMW-INIZCTEOSA-N 2 1 363.889 3.116 20 0 FGADMP CN(C[C@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC1 ZINC000289443170 498148188 /nfs/dbraw/zinc/14/81/88/498148188.db2.gz ZDIVXQWFDQAIMW-INIZCTEOSA-N 2 1 363.889 3.116 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000281454600 498158070 /nfs/dbraw/zinc/15/80/70/498158070.db2.gz LDFRZMYGVWHBCK-GOSISDBHSA-N 2 1 368.481 3.144 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000281454600 498158074 /nfs/dbraw/zinc/15/80/74/498158074.db2.gz LDFRZMYGVWHBCK-GOSISDBHSA-N 2 1 368.481 3.144 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865216 498175466 /nfs/dbraw/zinc/17/54/66/498175466.db2.gz VSHSFYSMPYKOHM-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865216 498175477 /nfs/dbraw/zinc/17/54/77/498175477.db2.gz VSHSFYSMPYKOHM-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C2)C1 ZINC000292865216 498175480 /nfs/dbraw/zinc/17/54/80/498175480.db2.gz VSHSFYSMPYKOHM-HSZRJFAPSA-N 2 1 373.504 3.462 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517031 498178205 /nfs/dbraw/zinc/17/82/05/498178205.db2.gz HOBXHGJCUMRCGA-SFTDATJTSA-N 2 1 355.457 3.028 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H]1c1ccccc1 ZINC000569701031 505996963 /nfs/dbraw/zinc/99/69/63/505996963.db2.gz QJBPXSUOFMEZEE-YADHBBJMSA-N 2 1 363.505 3.458 20 0 FGADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc(C)[nH+]c3ccc(F)cc32)CC1 ZINC000301687572 498224521 /nfs/dbraw/zinc/22/45/21/498224521.db2.gz VCBBYGVDQNLPAJ-UHFFFAOYSA-N 2 1 372.488 3.063 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569720723 506000783 /nfs/dbraw/zinc/00/07/83/506000783.db2.gz ROJPUFHVKJCKOQ-IFMALSPDSA-N 2 1 369.553 3.409 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000575777142 506003194 /nfs/dbraw/zinc/00/31/94/506003194.db2.gz NOBIQTUSAVRAKL-DFQSSKMNSA-N 2 1 369.509 3.490 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000285990246 498261003 /nfs/dbraw/zinc/26/10/03/498261003.db2.gz GZFYWWXVFCHEGJ-YQQAZPJKSA-N 2 1 357.498 3.321 20 0 FGADMP CCOCC[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000301815221 498276081 /nfs/dbraw/zinc/27/60/81/498276081.db2.gz ZMRBKIRYEBXNDD-UHFFFAOYSA-N 2 1 353.388 3.412 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc(OC)c1OCC(F)F ZINC000289776867 498288920 /nfs/dbraw/zinc/28/89/20/498288920.db2.gz PRCJPBJUTAEYPW-HUUCEWRRSA-N 2 1 372.456 3.310 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@H]3C2)cc1 ZINC000360638112 498291659 /nfs/dbraw/zinc/29/16/59/498291659.db2.gz NHGWLNIUHQWSKL-FKBYEOEOSA-N 2 1 362.521 3.397 20 0 FGADMP CN(CC[N@@H+](C)Cc1cccc(-c2cccnc2)c1)C1CC[NH+](C)CC1 ZINC000289804413 498300443 /nfs/dbraw/zinc/30/04/43/498300443.db2.gz NACGCZGNJZXOJF-UHFFFAOYSA-N 2 1 352.526 3.206 20 0 FGADMP CCc1cc2c(ncnc2N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000301878987 498308071 /nfs/dbraw/zinc/30/80/71/498308071.db2.gz ZHGLOQQLCRVSGR-XYPWUTKMSA-N 2 1 371.554 3.001 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)CCc1cncn1C)c1ccc(Cl)cc1 ZINC000286247411 498338391 /nfs/dbraw/zinc/33/83/91/498338391.db2.gz GUOOQUHYNUJOHZ-SFHVURJKSA-N 2 1 362.905 3.205 20 0 FGADMP Cc1cccc2cc(C(=O)N(C)CC[N@@H+](C)C3CCN(C)CC3)sc21 ZINC000289941389 498362095 /nfs/dbraw/zinc/36/20/95/498362095.db2.gz OJJUBQDVLLGINN-UHFFFAOYSA-N 2 1 359.539 3.308 20 0 FGADMP Cc1cccc2cc(C(=O)N(C)CCN(C)C3CC[NH+](C)CC3)sc21 ZINC000289941389 498362100 /nfs/dbraw/zinc/36/21/00/498362100.db2.gz OJJUBQDVLLGINN-UHFFFAOYSA-N 2 1 359.539 3.308 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572718612 506035561 /nfs/dbraw/zinc/03/55/61/506035561.db2.gz MOCCKQHQUMEGDD-JBBXEZCESA-N 2 1 367.896 3.260 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1SC ZINC000282426998 498506331 /nfs/dbraw/zinc/50/63/31/498506331.db2.gz SWWILQVZILXVQO-OAHLLOKOSA-N 2 1 351.560 3.094 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890940 506045673 /nfs/dbraw/zinc/04/56/73/506045673.db2.gz BWDKPFXJJFTMAO-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000578890940 506045676 /nfs/dbraw/zinc/04/56/76/506045676.db2.gz BWDKPFXJJFTMAO-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982688 506048338 /nfs/dbraw/zinc/04/83/38/506048338.db2.gz WTPHULGTZYKEEA-YUMYIRISSA-N 2 1 366.505 3.212 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487615 498530790 /nfs/dbraw/zinc/53/07/90/498530790.db2.gz XHEYYVHRYWUIOE-VLOYRQLPSA-N 2 1 352.469 3.283 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(C(F)F)CC1 ZINC000282487615 498530793 /nfs/dbraw/zinc/53/07/93/498530793.db2.gz XHEYYVHRYWUIOE-VLOYRQLPSA-N 2 1 352.469 3.283 20 0 FGADMP CCOc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1O ZINC000297691341 498538297 /nfs/dbraw/zinc/53/82/97/498538297.db2.gz PWOKZUAEYOGALZ-FQEVSTJZSA-N 2 1 370.493 3.037 20 0 FGADMP C[N@@H+]1CC[C@@H](Nc2cc(NCC3CC3)ncn2)[C@@H]1c1ccc(F)c(F)c1 ZINC000302816757 498586219 /nfs/dbraw/zinc/58/62/19/498586219.db2.gz ILMVOCMWIVBGGQ-APWZRJJASA-N 2 1 359.424 3.434 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000282672962 498606767 /nfs/dbraw/zinc/60/67/67/498606767.db2.gz NTCNEBLXKGTTPX-LJQANCHMSA-N 2 1 370.541 3.441 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000282672962 498606776 /nfs/dbraw/zinc/60/67/76/498606776.db2.gz NTCNEBLXKGTTPX-LJQANCHMSA-N 2 1 370.541 3.441 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972830 498625976 /nfs/dbraw/zinc/62/59/76/498625976.db2.gz XLIIHCPDGHSCBC-MJGOQNOKSA-N 2 1 369.513 3.130 20 0 FGADMP C[C@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]C1 ZINC000581806446 506066549 /nfs/dbraw/zinc/06/65/49/506066549.db2.gz LKGJLWAANXGMHO-SFHVURJKSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000303027043 498641891 /nfs/dbraw/zinc/64/18/91/498641891.db2.gz SMBDCPJETQYRGQ-SBHAEUEKSA-N 2 1 366.594 3.451 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ncc(C(C)C)s3)CC2)CC1 ZINC000581833806 506069759 /nfs/dbraw/zinc/06/97/59/506069759.db2.gz XJCUYVPMDOBZSV-UHFFFAOYSA-N 2 1 364.559 3.401 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303462659 498678989 /nfs/dbraw/zinc/67/89/89/498678989.db2.gz LVIDNEIKQBCBCA-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365873962 498681483 /nfs/dbraw/zinc/68/14/83/498681483.db2.gz FFUHDFYJBUMTAA-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881717 506074355 /nfs/dbraw/zinc/07/43/55/506074355.db2.gz FNHPDYFFGXFZRD-HUUCEWRRSA-N 2 1 369.431 3.356 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000303685849 498705361 /nfs/dbraw/zinc/70/53/61/498705361.db2.gz ZWZNPVUYUCHEPI-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000303685849 498705365 /nfs/dbraw/zinc/70/53/65/498705365.db2.gz ZWZNPVUYUCHEPI-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000303685849 498705370 /nfs/dbraw/zinc/70/53/70/498705370.db2.gz ZWZNPVUYUCHEPI-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Nc1cccc(F)c1 ZINC000312989791 498765857 /nfs/dbraw/zinc/76/58/57/498765857.db2.gz MCOYKYCCZPMZRD-DUXKGJEZSA-N 2 1 367.468 3.264 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Nc1cccc(F)c1 ZINC000312989791 498765861 /nfs/dbraw/zinc/76/58/61/498765861.db2.gz MCOYKYCCZPMZRD-DUXKGJEZSA-N 2 1 367.468 3.264 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000287468104 498767524 /nfs/dbraw/zinc/76/75/24/498767524.db2.gz MFVNMPVFKIZHFM-MIOZMULLSA-N 2 1 360.567 3.178 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cn4ccnc4)cc3)CC2)c1 ZINC000298519914 498799867 /nfs/dbraw/zinc/79/98/67/498799867.db2.gz XQNCFEZTLWQCJD-UHFFFAOYSA-N 2 1 374.488 3.198 20 0 FGADMP COCCOC1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOCC1 ZINC000294909379 498845662 /nfs/dbraw/zinc/84/56/62/498845662.db2.gz XZPFGGAUESMSCC-KRWDZBQOSA-N 2 1 373.497 3.044 20 0 FGADMP C[C@H](NCc1ncc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295040319 498889116 /nfs/dbraw/zinc/88/91/16/498889116.db2.gz ORURJRCVTKOSTA-HOCLYGCPSA-N 2 1 364.415 3.496 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2ccnc(OC)c2)CC1 ZINC000570175817 506108760 /nfs/dbraw/zinc/10/87/60/506108760.db2.gz LZZBHJWJCNRUCS-SFHVURJKSA-N 2 1 368.525 3.079 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295084768 498903904 /nfs/dbraw/zinc/90/39/04/498903904.db2.gz UIBKMDXBRDIICZ-TUNNFDKTSA-N 2 1 350.510 3.218 20 0 FGADMP Cc1cc2cc(C[NH+]3CCC(C(=O)N4CC[NH+](C)CC4)CC3)oc2cc1C ZINC000579174806 506109495 /nfs/dbraw/zinc/10/94/95/506109495.db2.gz KIZMSANWQUCCJT-UHFFFAOYSA-N 2 1 369.509 3.036 20 0 FGADMP C(C[N@H+]1CCC[C@@]2(CCC[NH+](CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122195 /nfs/dbraw/zinc/12/21/95/506122195.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 2 1 350.547 3.303 20 0 FGADMP C(C[NH+]1CCC[C@@]2(CCC[N@H+](CC[C@@H]3CCCO3)C2)C1)[C@H]1CCCO1 ZINC000579217072 506122197 /nfs/dbraw/zinc/12/21/97/506122197.db2.gz ZQYJXZQOERKYKK-QHAWAJNXSA-N 2 1 350.547 3.303 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000579219318 506122510 /nfs/dbraw/zinc/12/25/10/506122510.db2.gz VTINPZIIXJUGAU-MRXNPFEDSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1cccc(C)c1C ZINC000363785204 498990853 /nfs/dbraw/zinc/99/08/53/498990853.db2.gz OJTJARHPLXYJHW-SFHVURJKSA-N 2 1 369.557 3.338 20 0 FGADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccc1O ZINC000299207677 498994158 /nfs/dbraw/zinc/99/41/58/498994158.db2.gz ALQDFOLIPYVURN-QGZVFWFLSA-N 2 1 370.493 3.301 20 0 FGADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccc1O ZINC000299207677 498994164 /nfs/dbraw/zinc/99/41/64/498994164.db2.gz ALQDFOLIPYVURN-QGZVFWFLSA-N 2 1 370.493 3.301 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000579237355 506127053 /nfs/dbraw/zinc/12/70/53/506127053.db2.gz HHJZWDORZZPTJM-FQEVSTJZSA-N 2 1 350.510 3.434 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000579237355 506127054 /nfs/dbraw/zinc/12/70/54/506127054.db2.gz HHJZWDORZZPTJM-FQEVSTJZSA-N 2 1 350.510 3.434 20 0 FGADMP CNC(=O)C1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284004306 499028452 /nfs/dbraw/zinc/02/84/52/499028452.db2.gz HWGVIUJOMVRYRE-UHFFFAOYSA-N 2 1 357.542 3.324 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cc(C[NH+]2CCCC2)on1 ZINC000291722765 499047856 /nfs/dbraw/zinc/04/78/56/499047856.db2.gz PYBYBQKGUIIUCK-UHFFFAOYSA-N 2 1 368.481 3.161 20 0 FGADMP CC[N@H+]1CCC[C@@H](CN(C)CCC[NH+]2CCCCC2)[C@@H]1c1cnn(C)c1 ZINC000364142756 499123093 /nfs/dbraw/zinc/12/30/93/499123093.db2.gz LLJVTIOOKBSIGS-PZJWPPBQSA-N 3 1 361.578 3.001 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3Cc4[nH]c5ccccc5c4C3)CC2)nc(C)[nH+]1 ZINC000367023225 499135334 /nfs/dbraw/zinc/13/53/34/499135334.db2.gz KYQGPYWTQJWRGU-QGZVFWFLSA-N 2 1 361.493 3.301 20 0 FGADMP CCN1CCC[C@@H](C[N@H+](C)CCCCn2cc[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000372541433 499143333 /nfs/dbraw/zinc/14/33/33/499143333.db2.gz XNJNLWCUBGIPDN-PZJWPPBQSA-N 2 1 372.561 3.110 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)CCCCn2cc[nH+]c2C)[C@@H]1c1cnn(C)c1 ZINC000372541433 499143335 /nfs/dbraw/zinc/14/33/35/499143335.db2.gz XNJNLWCUBGIPDN-PZJWPPBQSA-N 2 1 372.561 3.110 20 0 FGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367171964 499157445 /nfs/dbraw/zinc/15/74/45/499157445.db2.gz UOWHQLPWYQBMBI-MOPGFXCFSA-N 2 1 368.525 3.362 20 0 FGADMP C[C@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367171964 499157446 /nfs/dbraw/zinc/15/74/46/499157446.db2.gz UOWHQLPWYQBMBI-MOPGFXCFSA-N 2 1 368.525 3.362 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688096 499161129 /nfs/dbraw/zinc/16/11/29/499161129.db2.gz AIJZEFZYNQLULQ-ORFBVSJDSA-N 2 1 358.526 3.225 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1C ZINC000367356970 499187504 /nfs/dbraw/zinc/18/75/04/499187504.db2.gz RXWWFEMBTYHYIT-IHWFROFDSA-N 2 1 367.493 3.097 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1C ZINC000367356970 499187506 /nfs/dbraw/zinc/18/75/06/499187506.db2.gz RXWWFEMBTYHYIT-IHWFROFDSA-N 2 1 367.493 3.097 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000367551731 499211578 /nfs/dbraw/zinc/21/15/78/499211578.db2.gz AQVCDDUXALUWOJ-OAQYLSRUSA-N 2 1 370.585 3.147 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226509 /nfs/dbraw/zinc/22/65/09/499226509.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226510 /nfs/dbraw/zinc/22/65/10/499226510.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702036 499226512 /nfs/dbraw/zinc/22/65/12/499226512.db2.gz LNXSFSNLSRMDSI-SQGPQFPESA-N 2 1 351.535 3.050 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000367792676 499234060 /nfs/dbraw/zinc/23/40/60/499234060.db2.gz ORQXJMYFFRRZCL-DZJHOTPTSA-N 2 1 367.459 3.456 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370644797 499239080 /nfs/dbraw/zinc/23/90/80/499239080.db2.gz GXQKICRABDFMPJ-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370698719 499245436 /nfs/dbraw/zinc/24/54/36/499245436.db2.gz JZOHPKNOMFLNKG-YJBOKZPZSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370698719 499245438 /nfs/dbraw/zinc/24/54/38/499245438.db2.gz JZOHPKNOMFLNKG-YJBOKZPZSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705973 499246261 /nfs/dbraw/zinc/24/62/61/499246261.db2.gz KQOWTPFNISFMTI-AUSIDOKSSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705973 499246263 /nfs/dbraw/zinc/24/62/63/499246263.db2.gz KQOWTPFNISFMTI-AUSIDOKSSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H](NC(=O)NCCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367932439 499247025 /nfs/dbraw/zinc/24/70/25/499247025.db2.gz RZXHESKHUDHUEN-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2)cs1 ZINC000368022039 499256002 /nfs/dbraw/zinc/25/60/02/499256002.db2.gz UVNPFJGNKMROME-AWEZNQCLSA-N 2 1 367.559 3.373 20 0 FGADMP C[C@@H]1C[C@@H](CNCc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368030778 499257192 /nfs/dbraw/zinc/25/71/92/499257192.db2.gz PMBAHCALPDGMLE-WBVHZDCISA-N 2 1 373.522 3.189 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000368051893 499260035 /nfs/dbraw/zinc/26/00/35/499260035.db2.gz QTWIOJNNTBVDJH-OAHLLOKOSA-N 2 1 373.513 3.195 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000368051893 499260036 /nfs/dbraw/zinc/26/00/36/499260036.db2.gz QTWIOJNNTBVDJH-OAHLLOKOSA-N 2 1 373.513 3.195 20 0 FGADMP Cc1cc(NC(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)cn1 ZINC000368241467 499277389 /nfs/dbraw/zinc/27/73/89/499277389.db2.gz OATSNAYGRGRNCG-WOJBJXKFSA-N 2 1 364.493 3.106 20 0 FGADMP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000368319274 499284991 /nfs/dbraw/zinc/28/49/91/499284991.db2.gz WEBZPDWQGDFRRT-CEXWTWQISA-N 2 1 360.452 3.148 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000368416097 499293709 /nfs/dbraw/zinc/29/37/09/499293709.db2.gz HRXSMFAWRZMZLM-FMWKFLBASA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000368416097 499293711 /nfs/dbraw/zinc/29/37/11/499293711.db2.gz HRXSMFAWRZMZLM-FMWKFLBASA-N 2 1 373.541 3.109 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)C1 ZINC000368442308 499296414 /nfs/dbraw/zinc/29/64/14/499296414.db2.gz MYVFPJMXXUSLBP-WMZOPIPTSA-N 2 1 352.482 3.316 20 0 FGADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccc(Cl)cc1 ZINC000368480903 499300448 /nfs/dbraw/zinc/30/04/48/499300448.db2.gz CRQJTDWZULFYFJ-NCXUSEDFSA-N 2 1 352.906 3.211 20 0 FGADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368494027 499301418 /nfs/dbraw/zinc/30/14/18/499301418.db2.gz KUAAAOCGRMAUDS-IBGZPJMESA-N 3 1 373.585 3.499 20 0 FGADMP C[C@]1(CN[C@H](c2ncc[nH]2)c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368529489 499304853 /nfs/dbraw/zinc/30/48/53/499304853.db2.gz BTTBGNQKMZTVAZ-RBBKRZOGSA-N 2 1 361.493 3.396 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371302989 499307739 /nfs/dbraw/zinc/30/77/39/499307739.db2.gz LXUAVRRDRQQFBO-RTWAWAEBSA-N 2 1 359.558 3.030 20 0 FGADMP CN(C(=O)CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC000371320322 499309969 /nfs/dbraw/zinc/30/99/69/499309969.db2.gz BMVKEEDACIALOI-SFHVURJKSA-N 2 1 355.526 3.236 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2ncccc2C)CC1 ZINC000371326938 499310851 /nfs/dbraw/zinc/31/08/51/499310851.db2.gz SITDVLCPVAMMSJ-UHFFFAOYSA-N 2 1 355.486 3.026 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[N@H+]1C ZINC000368687124 499321888 /nfs/dbraw/zinc/32/18/88/499321888.db2.gz IORBPWQTAAVGBL-RRPUWOKSSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC[NH+]1C ZINC000368687124 499321890 /nfs/dbraw/zinc/32/18/90/499321890.db2.gz IORBPWQTAAVGBL-RRPUWOKSSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC[NH+]1C ZINC000368687124 499321892 /nfs/dbraw/zinc/32/18/92/499321892.db2.gz IORBPWQTAAVGBL-RRPUWOKSSA-N 2 1 369.553 3.231 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC(C)C ZINC000371470816 499331493 /nfs/dbraw/zinc/33/14/93/499331493.db2.gz OQMXNRGWNFLECT-QWFCFKBJSA-N 2 1 362.514 3.166 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1OC(C)C ZINC000371470816 499331494 /nfs/dbraw/zinc/33/14/94/499331494.db2.gz OQMXNRGWNFLECT-QWFCFKBJSA-N 2 1 362.514 3.166 20 0 FGADMP CC[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000368783826 499332406 /nfs/dbraw/zinc/33/24/06/499332406.db2.gz BNFNFGAZIVBUOB-OAHLLOKOSA-N 2 1 369.962 3.214 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000371489968 499333691 /nfs/dbraw/zinc/33/36/91/499333691.db2.gz BMCCYFGVZQVMLH-WDSOQIARSA-N 2 1 354.498 3.142 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514895 499336854 /nfs/dbraw/zinc/33/68/54/499336854.db2.gz QTEMSFAKMBODGT-LDQXTDLNSA-N 2 1 362.481 3.006 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000371515784 499336980 /nfs/dbraw/zinc/33/69/80/499336980.db2.gz AQPIIZALGWMOHN-GBESFXJTSA-N 2 1 372.557 3.482 20 0 FGADMP C[C@@H](NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000371589705 499345278 /nfs/dbraw/zinc/34/52/78/499345278.db2.gz VCRXYXKOFOINAZ-MSOLQXFVSA-N 2 1 370.541 3.162 20 0 FGADMP COc1ccc(C[C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000369106849 499366101 /nfs/dbraw/zinc/36/61/01/499366101.db2.gz MJUBRBPGAHLNNT-NRFANRHFSA-N 2 1 359.558 3.118 20 0 FGADMP CCC[NH+]1CCN(C2CC[NH+](Cc3ccccc3OC(F)F)CC2)CC1 ZINC000369156728 499371943 /nfs/dbraw/zinc/37/19/43/499371943.db2.gz PPEATGNAVRHYHG-UHFFFAOYSA-N 2 1 367.484 3.280 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369269223 499385622 /nfs/dbraw/zinc/38/56/22/499385622.db2.gz VTVJWZDJIBRRMQ-JXFKEZNVSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369269223 499385623 /nfs/dbraw/zinc/38/56/23/499385623.db2.gz VTVJWZDJIBRRMQ-JXFKEZNVSA-N 2 1 372.944 3.346 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372054993 499393783 /nfs/dbraw/zinc/39/37/83/499393783.db2.gz JMDOOQAFEIJCKX-ILWGZMRPSA-N 3 1 365.606 3.224 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372054993 499393784 /nfs/dbraw/zinc/39/37/84/499393784.db2.gz JMDOOQAFEIJCKX-ILWGZMRPSA-N 2 1 365.606 3.224 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000372056291 499394080 /nfs/dbraw/zinc/39/40/80/499394080.db2.gz LOHIHDYFOYYIEN-SFHVURJKSA-N 3 1 361.578 3.311 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000372065660 499395155 /nfs/dbraw/zinc/39/51/55/499395155.db2.gz RMRYMWZQOZRSQW-OAQYLSRUSA-N 2 1 351.494 3.374 20 0 FGADMP CC[C@@H]1[C@H](C)CCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372320772 499420397 /nfs/dbraw/zinc/42/03/97/499420397.db2.gz OAYNMVSPJXYZEK-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000372329261 499421415 /nfs/dbraw/zinc/42/14/15/499421415.db2.gz GLSYTYVRRNHXJP-UHFFFAOYSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353675 499424097 /nfs/dbraw/zinc/42/40/97/499424097.db2.gz HFBNXDKDFZXFKK-AYOQOUSVSA-N 2 1 373.472 3.460 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369768401 499441663 /nfs/dbraw/zinc/44/16/63/499441663.db2.gz WOGPSPILIFCTEG-QAPCUYQASA-N 2 1 355.448 3.163 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CC(c3cccc(Br)c3)C2)CC1 ZINC000372933347 499443663 /nfs/dbraw/zinc/44/36/63/499443663.db2.gz HUEOUKAROBLIDO-UHFFFAOYSA-N 2 1 367.331 3.396 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cnc3ccccc3n2)CC1 ZINC000373290165 499461849 /nfs/dbraw/zinc/46/18/49/499461849.db2.gz HGEMIAOVQJSNAA-UHFFFAOYSA-N 2 1 365.481 3.458 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000373772174 499487219 /nfs/dbraw/zinc/48/72/19/499487219.db2.gz PFVHMGIECGGKRN-ZWKOTPCHSA-N 2 1 359.518 3.157 20 0 FGADMP Cn1c2ccccc2nc1CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000378353003 499505951 /nfs/dbraw/zinc/50/59/51/499505951.db2.gz DUDIIWMBCGSRCD-QGZVFWFLSA-N 2 1 352.526 3.312 20 0 FGADMP Cc1cnccc1NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000378358556 499506392 /nfs/dbraw/zinc/50/63/92/499506392.db2.gz ZYRLADNQHSVYTL-QFIPXVFZSA-N 2 1 364.493 3.332 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000378581466 499534307 /nfs/dbraw/zinc/53/43/07/499534307.db2.gz VGWYPROMYIUNMG-FUHWJXTLSA-N 2 1 359.518 3.003 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000378581466 499534308 /nfs/dbraw/zinc/53/43/08/499534308.db2.gz VGWYPROMYIUNMG-FUHWJXTLSA-N 2 1 359.518 3.003 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333875 499546630 /nfs/dbraw/zinc/54/66/30/499546630.db2.gz ZWZCVGYFYDKZCV-DSKINZAPSA-N 2 1 372.484 3.066 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000579336793 506149918 /nfs/dbraw/zinc/14/99/18/506149918.db2.gz XDCVMMCCEDDVJL-VJBWXMMDSA-N 3 1 371.569 3.166 20 0 FGADMP CN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000579336793 506149921 /nfs/dbraw/zinc/14/99/21/506149921.db2.gz XDCVMMCCEDDVJL-VJBWXMMDSA-N 2 1 371.569 3.166 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000397962202 499565468 /nfs/dbraw/zinc/56/54/68/499565468.db2.gz FOADEBGHVLUSRG-UEVCKROQSA-N 2 1 368.521 3.064 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)c1C ZINC000398046465 499566205 /nfs/dbraw/zinc/56/62/05/499566205.db2.gz RJVBXTMSIQLIQN-HRAATJIYSA-N 2 1 369.509 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)c1C ZINC000398046465 499566207 /nfs/dbraw/zinc/56/62/07/499566207.db2.gz RJVBXTMSIQLIQN-HRAATJIYSA-N 2 1 369.509 3.120 20 0 FGADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375900067 499566724 /nfs/dbraw/zinc/56/67/24/499566724.db2.gz FKRVIJQDPLZZKC-NRFANRHFSA-N 2 1 359.558 3.173 20 0 FGADMP Cc1nc2c(s1)CCC[C@@H]2C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000375953726 499571152 /nfs/dbraw/zinc/57/11/52/499571152.db2.gz JMAGQZIKHFLROR-GOSISDBHSA-N 2 1 364.603 3.219 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000375993714 499574556 /nfs/dbraw/zinc/57/45/56/499574556.db2.gz JHHNCAIAVLZAKJ-JOCHJYFZSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000376165719 499588139 /nfs/dbraw/zinc/58/81/39/499588139.db2.gz IUFBHURXUWQQGT-IBGZPJMESA-N 2 1 372.557 3.293 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296058 499598342 /nfs/dbraw/zinc/59/83/42/499598342.db2.gz LMXDLBDRUICIBK-IPMKNSEASA-N 2 1 363.546 3.406 20 0 FGADMP CCn1c2ccccc2nc1CN1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000582175050 506151546 /nfs/dbraw/zinc/15/15/46/506151546.db2.gz ZFUKKAFVVJTIIF-UHFFFAOYSA-N 2 1 369.557 3.048 20 0 FGADMP CCn1c2ccccc2nc1CN1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000582175050 506151551 /nfs/dbraw/zinc/15/15/51/506151551.db2.gz ZFUKKAFVVJTIIF-UHFFFAOYSA-N 2 1 369.557 3.048 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000579344971 506152258 /nfs/dbraw/zinc/15/22/58/506152258.db2.gz NUHVYGDGHTWLFJ-ZVDOUQERSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000579344971 506152263 /nfs/dbraw/zinc/15/22/63/506152263.db2.gz NUHVYGDGHTWLFJ-ZVDOUQERSA-N 2 1 374.550 3.298 20 0 FGADMP CN1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)cc2CCC1=O ZINC000376940843 499648102 /nfs/dbraw/zinc/64/81/02/499648102.db2.gz KTJBPQNJFVQYEZ-OFNKIYASSA-N 2 1 363.505 3.378 20 0 FGADMP [NH3+]Cc1ccc(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000573252185 506154208 /nfs/dbraw/zinc/15/42/08/506154208.db2.gz OEFMTJYNMJNHOG-IBGZPJMESA-N 2 1 366.509 3.268 20 0 FGADMP COCCOCc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1 ZINC000377346232 499681779 /nfs/dbraw/zinc/68/17/79/499681779.db2.gz NAPHSUJNTHDARX-UHFFFAOYSA-N 2 1 369.509 3.312 20 0 FGADMP CN(Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377622559 499711741 /nfs/dbraw/zinc/71/17/41/499711741.db2.gz IBDXIALRYYTLAM-CBQGHPETSA-N 3 1 370.585 3.274 20 0 FGADMP CN(c1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC[NH+](C)CC1 ZINC000377622559 499711743 /nfs/dbraw/zinc/71/17/43/499711743.db2.gz IBDXIALRYYTLAM-CBQGHPETSA-N 3 1 370.585 3.274 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)C1CC[NH+](C)CC1 ZINC000377622559 499711744 /nfs/dbraw/zinc/71/17/44/499711744.db2.gz IBDXIALRYYTLAM-CBQGHPETSA-N 3 1 370.585 3.274 20 0 FGADMP CN(c1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1CC[NH+](C)CC1 ZINC000377622559 499711746 /nfs/dbraw/zinc/71/17/46/499711746.db2.gz IBDXIALRYYTLAM-CBQGHPETSA-N 3 1 370.585 3.274 20 0 FGADMP CN(c1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000377622559 499711748 /nfs/dbraw/zinc/71/17/48/499711748.db2.gz IBDXIALRYYTLAM-CBQGHPETSA-N 3 1 370.585 3.274 20 0 FGADMP COCCC1(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377628807 499712653 /nfs/dbraw/zinc/71/26/53/499712653.db2.gz ONBMUHSUSQDJEI-FQEVSTJZSA-N 2 1 351.579 3.075 20 0 FGADMP COCCC1(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377628807 499712654 /nfs/dbraw/zinc/71/26/54/499712654.db2.gz ONBMUHSUSQDJEI-FQEVSTJZSA-N 2 1 351.579 3.075 20 0 FGADMP COc1cc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699965 499722080 /nfs/dbraw/zinc/72/20/80/499722080.db2.gz REQGUVHQLFHNTD-INIZCTEOSA-N 2 1 360.498 3.106 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377706811 499722918 /nfs/dbraw/zinc/72/29/18/499722918.db2.gz UDLVUQVBWCSTHO-INIZCTEOSA-N 2 1 350.576 3.043 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnc(C(C)(C)C)s3)C2)CC1 ZINC000377706811 499722920 /nfs/dbraw/zinc/72/29/20/499722920.db2.gz UDLVUQVBWCSTHO-INIZCTEOSA-N 2 1 350.576 3.043 20 0 FGADMP COc1cc(OC)c(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000377710881 499723760 /nfs/dbraw/zinc/72/37/60/499723760.db2.gz YEEZMVLIQLQIMK-UHFFFAOYSA-N 2 1 371.481 3.208 20 0 FGADMP C([C@@H]1CCCCO1)[NH+]1CCCC2(CCC[N@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000377724763 499725233 /nfs/dbraw/zinc/72/52/33/499725233.db2.gz MWBOZUDCESZMAU-AHTKWCMKSA-N 2 1 350.547 3.303 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000377779982 499732245 /nfs/dbraw/zinc/73/22/45/499732245.db2.gz GPDRNYDVFJKUBL-SFHVURJKSA-N 2 1 374.529 3.109 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(Cl)c2Cl)CC1 ZINC000411472179 499744982 /nfs/dbraw/zinc/74/49/82/499744982.db2.gz SRKGZMRMOQTMPL-LBPRGKRZSA-N 2 1 358.313 3.245 20 0 FGADMP CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411639019 499771949 /nfs/dbraw/zinc/77/19/49/499771949.db2.gz HTMMFXKWEWGDDK-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411639019 499771951 /nfs/dbraw/zinc/77/19/51/499771951.db2.gz HTMMFXKWEWGDDK-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1c1ncc[nH]1 ZINC000411658396 499774262 /nfs/dbraw/zinc/77/42/62/499774262.db2.gz LTIWLWGQFOPXSX-NRFANRHFSA-N 2 1 367.541 3.274 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@]2(CCCOC2)O1 ZINC000411665718 499774898 /nfs/dbraw/zinc/77/48/98/499774898.db2.gz BHMGEKKTYADWIG-SIKLNZKXSA-N 2 1 358.526 3.442 20 0 FGADMP CCN1C[C@@H](C)[NH+](CCC(C)CC[N@H+]2[C@H](C)CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726755 499783569 /nfs/dbraw/zinc/78/35/69/499783569.db2.gz ZBYUDFPQVAXQHU-COPRSSIGSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@@H](C)[N@@H+](CCC(C)CCN2[C@H](C)C[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726755 499783572 /nfs/dbraw/zinc/78/35/72/499783572.db2.gz ZBYUDFPQVAXQHU-COPRSSIGSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@@H](C)[N@H+](CCC(C)CCN2[C@H](C)C[NH+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726755 499783573 /nfs/dbraw/zinc/78/35/73/499783573.db2.gz ZBYUDFPQVAXQHU-COPRSSIGSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@@H](C)[NH+](CCC(C)CCN2[C@H](C)C[N@@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726755 499783574 /nfs/dbraw/zinc/78/35/74/499783574.db2.gz ZBYUDFPQVAXQHU-COPRSSIGSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@@H](C)[NH+](CCC(C)CCN2[C@H](C)C[N@H+](CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726755 499783575 /nfs/dbraw/zinc/78/35/75/499783575.db2.gz ZBYUDFPQVAXQHU-COPRSSIGSA-N 2 1 366.638 3.232 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000414394079 499785839 /nfs/dbraw/zinc/78/58/39/499785839.db2.gz OVNDSTKPBVXNCW-CALCHBBNSA-N 2 1 374.504 3.299 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000414676128 499820086 /nfs/dbraw/zinc/82/00/86/499820086.db2.gz UUOUILVZRIZKEO-GOSISDBHSA-N 2 1 361.505 3.158 20 0 FGADMP CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732574 499824378 /nfs/dbraw/zinc/82/43/78/499824378.db2.gz CTOPMMZSNRPOPJ-CABCVRRESA-N 2 1 371.447 3.286 20 0 FGADMP C[C@H]1C[C@H](C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735262 499824679 /nfs/dbraw/zinc/82/46/79/499824679.db2.gz CFWSZVQTZBDMCM-JKSUJKDBSA-N 2 1 364.921 3.268 20 0 FGADMP CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414740638 499825496 /nfs/dbraw/zinc/82/54/96/499825496.db2.gz DHHIPABJIHCTBH-LZJOCLMNSA-N 2 1 354.494 3.292 20 0 FGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752564 499826813 /nfs/dbraw/zinc/82/68/13/499826813.db2.gz UTTRMVMHUFIYAQ-RDJZCZTQSA-N 2 1 350.482 3.033 20 0 FGADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752564 499826815 /nfs/dbraw/zinc/82/68/15/499826815.db2.gz UTTRMVMHUFIYAQ-RDJZCZTQSA-N 2 1 350.482 3.033 20 0 FGADMP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753824 499826837 /nfs/dbraw/zinc/82/68/37/499826837.db2.gz NAVZACBUABYYNH-CHWSQXEVSA-N 2 1 370.324 3.110 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1C ZINC000414876626 499840286 /nfs/dbraw/zinc/84/02/86/499840286.db2.gz KQXPGGHDMHMPEW-QGZVFWFLSA-N 2 1 354.498 3.185 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)c1 ZINC000414876797 499840489 /nfs/dbraw/zinc/84/04/89/499840489.db2.gz LAGUBRJZVHFJPB-GOSISDBHSA-N 2 1 354.498 3.185 20 0 FGADMP C[NH2+]C[C@H]1CCCN1C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000414906470 499843571 /nfs/dbraw/zinc/84/35/71/499843571.db2.gz PUNACAFCUUDDIC-GOSISDBHSA-N 2 1 355.486 3.271 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000414907419 499843791 /nfs/dbraw/zinc/84/37/91/499843791.db2.gz NHRISBKDKQXOOP-GOSISDBHSA-N 2 1 355.486 3.400 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000414910042 499844007 /nfs/dbraw/zinc/84/40/07/499844007.db2.gz SEFROPUAKCWMRH-HOTGVXAUSA-N 2 1 355.486 3.269 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414960909 499849271 /nfs/dbraw/zinc/84/92/71/499849271.db2.gz AURREDGJUPUWAJ-INIZCTEOSA-N 2 1 363.303 3.113 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)cc2)n1 ZINC000415003991 499854153 /nfs/dbraw/zinc/85/41/53/499854153.db2.gz PQTWYRSJAHCGTQ-CYBMUJFWSA-N 2 1 374.357 3.226 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063164 499859988 /nfs/dbraw/zinc/85/99/88/499859988.db2.gz GXETYASQTKCRPW-WBMJQRKESA-N 2 1 353.894 3.173 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070408 499860576 /nfs/dbraw/zinc/86/05/76/499860576.db2.gz UXTLLAMXLZPVRZ-MLGOLLRUSA-N 2 1 368.319 3.273 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415072268 499860839 /nfs/dbraw/zinc/86/08/39/499860839.db2.gz VZGWKDPABQFTLZ-JSGCOSHPSA-N 2 1 359.392 3.034 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415073039 499860862 /nfs/dbraw/zinc/86/08/62/499860862.db2.gz YVVDOQVXHDBIHO-LRDDRELGSA-N 2 1 368.319 3.273 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc4c3NCC4)CC2)oc1C ZINC000415084212 499861912 /nfs/dbraw/zinc/86/19/12/499861912.db2.gz GDCHCRKGCMCKCS-UHFFFAOYSA-N 2 1 354.498 3.261 20 0 FGADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000415090509 499862491 /nfs/dbraw/zinc/86/24/91/499862491.db2.gz PBTIDMDDCGNJJC-QHAWAJNXSA-N 2 1 355.526 3.251 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000415100304 499863304 /nfs/dbraw/zinc/86/33/04/499863304.db2.gz ABGFXVCDHCKNBH-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000415100438 499863499 /nfs/dbraw/zinc/86/34/99/499863499.db2.gz AHWKUJHORSBTQI-DZGCQCFKSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000415121525 499866303 /nfs/dbraw/zinc/86/63/03/499866303.db2.gz IKSUITYZVQNPBV-RHSMWYFYSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000415123258 499866541 /nfs/dbraw/zinc/86/65/41/499866541.db2.gz PJTOUZFMWJMJQP-RLLQIKCJSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127859 499867331 /nfs/dbraw/zinc/86/73/31/499867331.db2.gz NJWGEQCQGMROBG-SUMWQHHRSA-N 2 1 367.419 3.196 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3F)C2)nn1 ZINC000415131508 499867960 /nfs/dbraw/zinc/86/79/60/499867960.db2.gz SKZSAPJQOLNSJC-HXUWFJFHSA-N 2 1 365.456 3.380 20 0 FGADMP C[C@H]([NH2+]C1(CNc2cc(NC3CC3)[nH+]cn2)CCOCC1)c1ccccc1 ZINC000413141428 499918995 /nfs/dbraw/zinc/91/89/95/499918995.db2.gz MOLPHHHWFYQLHU-INIZCTEOSA-N 2 1 367.497 3.363 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930518 499929740 /nfs/dbraw/zinc/92/97/40/499929740.db2.gz ABVHZNXHHFOCDZ-QZTJIDSGSA-N 2 1 374.529 3.142 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000415966329 499934628 /nfs/dbraw/zinc/93/46/28/499934628.db2.gz ZGHFRXVEFOAPEY-ZWKOTPCHSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccc(Cl)cc1 ZINC000415966329 499934629 /nfs/dbraw/zinc/93/46/29/499934629.db2.gz ZGHFRXVEFOAPEY-ZWKOTPCHSA-N 2 1 358.873 3.366 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972295 499935630 /nfs/dbraw/zinc/93/56/30/499935630.db2.gz HZIFPYRLEGSAKP-OXQOHEQNSA-N 2 1 352.482 3.177 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415971257 499935679 /nfs/dbraw/zinc/93/56/79/499935679.db2.gz GFTHUBPQLCQQIX-OXQOHEQNSA-N 2 1 352.482 3.320 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000415983384 499937052 /nfs/dbraw/zinc/93/70/52/499937052.db2.gz ZKRBLYQBSCDCJF-INIZCTEOSA-N 2 1 358.511 3.241 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417034560 499953233 /nfs/dbraw/zinc/95/32/33/499953233.db2.gz GAJNOQMQCGWMOL-SFHVURJKSA-N 2 1 352.567 3.192 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428895582 499955304 /nfs/dbraw/zinc/95/53/04/499955304.db2.gz PZHDIWCQLGIEFM-LJQANCHMSA-N 2 1 367.468 3.174 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH2+]Cc2ccccc21 ZINC000428895582 499955307 /nfs/dbraw/zinc/95/53/07/499955307.db2.gz PZHDIWCQLGIEFM-LJQANCHMSA-N 2 1 367.468 3.174 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000416176517 499969637 /nfs/dbraw/zinc/96/96/37/499969637.db2.gz DLMCECHANCTRRD-UHFFFAOYSA-N 2 1 351.494 3.444 20 0 FGADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041064 499993093 /nfs/dbraw/zinc/99/30/93/499993093.db2.gz OAPKXHFFMRQYBG-GGAORHGYSA-N 2 1 366.505 3.121 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041064 499993097 /nfs/dbraw/zinc/99/30/97/499993097.db2.gz OAPKXHFFMRQYBG-GGAORHGYSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041064 499993102 /nfs/dbraw/zinc/99/31/02/499993102.db2.gz OAPKXHFFMRQYBG-GGAORHGYSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041064 499993104 /nfs/dbraw/zinc/99/31/04/499993104.db2.gz OAPKXHFFMRQYBG-GGAORHGYSA-N 2 1 366.505 3.121 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092367 500002040 /nfs/dbraw/zinc/00/20/40/500002040.db2.gz KDOLNGCUAJJELT-GHTZIAJQSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092367 500002044 /nfs/dbraw/zinc/00/20/44/500002044.db2.gz KDOLNGCUAJJELT-GHTZIAJQSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092367 500002047 /nfs/dbraw/zinc/00/20/47/500002047.db2.gz KDOLNGCUAJJELT-GHTZIAJQSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000417219057 500009257 /nfs/dbraw/zinc/00/92/57/500009257.db2.gz LZATWNMCRSVSRC-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)CC1 ZINC000425087173 500015669 /nfs/dbraw/zinc/01/56/69/500015669.db2.gz UPCSFAAMOMKCER-UHFFFAOYSA-N 2 1 364.559 3.359 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000429239527 500030398 /nfs/dbraw/zinc/03/03/98/500030398.db2.gz QXDHARLSIPWTHK-HXUWFJFHSA-N 2 1 368.525 3.351 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H]1CCCc2ccccc21 ZINC000429239527 500030400 /nfs/dbraw/zinc/03/04/00/500030400.db2.gz QXDHARLSIPWTHK-HXUWFJFHSA-N 2 1 368.525 3.351 20 0 FGADMP CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429312043 500049517 /nfs/dbraw/zinc/04/95/17/500049517.db2.gz ASKZAHGDWDKXMH-NRFANRHFSA-N 2 1 353.510 3.422 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000429317338 500051244 /nfs/dbraw/zinc/05/12/44/500051244.db2.gz KOYAEVURWZIMPR-FQEVSTJZSA-N 2 1 353.441 3.075 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000429317338 500051247 /nfs/dbraw/zinc/05/12/47/500051247.db2.gz KOYAEVURWZIMPR-FQEVSTJZSA-N 2 1 353.441 3.075 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486922 500086144 /nfs/dbraw/zinc/08/61/44/500086144.db2.gz HHDPZDGRLIHYFG-MGPUTAFESA-N 2 1 355.457 3.126 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486922 500086146 /nfs/dbraw/zinc/08/61/46/500086146.db2.gz HHDPZDGRLIHYFG-MGPUTAFESA-N 2 1 355.457 3.126 20 0 FGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375429 500089371 /nfs/dbraw/zinc/08/93/71/500089371.db2.gz ZOLVMHPCFYPRME-HSALFYBXSA-N 2 1 360.567 3.399 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)C1 ZINC000417584011 500117207 /nfs/dbraw/zinc/11/72/07/500117207.db2.gz LSYXQCJCUVLYRK-SFHVURJKSA-N 2 1 364.578 3.062 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417586153 500117867 /nfs/dbraw/zinc/11/78/67/500117867.db2.gz QGHWMBXGKZCEHW-VTHDOGFWSA-N 2 1 372.557 3.197 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000421837033 500161761 /nfs/dbraw/zinc/16/17/61/500161761.db2.gz RVTFKJLDKAJJKC-YCRPNKLZSA-N 2 1 362.489 3.376 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C2CC2)c(F)c1 ZINC000421842369 500162782 /nfs/dbraw/zinc/16/27/82/500162782.db2.gz KVBNPGIQIBOOAE-PCCBWWKXSA-N 2 1 362.489 3.253 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)c(F)c1 ZINC000421850228 500163102 /nfs/dbraw/zinc/16/31/02/500163102.db2.gz DDUJEQXJDOUVGN-IBGZPJMESA-N 2 1 351.510 3.147 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000421876085 500168357 /nfs/dbraw/zinc/16/83/57/500168357.db2.gz YQEUCFFTPNFJCB-ZIBCJSCZSA-N 2 1 358.526 3.356 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000416975514 500172931 /nfs/dbraw/zinc/17/29/31/500172931.db2.gz MYJVHZORLNWKGV-QGZVFWFLSA-N 2 1 360.546 3.187 20 0 FGADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425668945 500175421 /nfs/dbraw/zinc/17/54/21/500175421.db2.gz BEFPOUCEICCDSE-JKSUJKDBSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@@H]1[C@H](C)N(C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425668945 500175422 /nfs/dbraw/zinc/17/54/22/500175422.db2.gz BEFPOUCEICCDSE-JKSUJKDBSA-N 2 1 367.497 3.443 20 0 FGADMP CCCOc1cccc(C(=O)N2CCC[N@H+](C3CCN(CC)CC3)CC2)c1 ZINC000422014413 500198107 /nfs/dbraw/zinc/19/81/07/500198107.db2.gz YUSIYEZLFWDWFW-UHFFFAOYSA-N 2 1 373.541 3.108 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940717 500201701 /nfs/dbraw/zinc/20/17/01/500201701.db2.gz LRTSNGFYKRPLDM-MLCQCVOFSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940717 500201702 /nfs/dbraw/zinc/20/17/02/500201702.db2.gz LRTSNGFYKRPLDM-MLCQCVOFSA-N 2 1 350.506 3.263 20 0 FGADMP C[C@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984299 500209538 /nfs/dbraw/zinc/20/95/38/500209538.db2.gz DGIYHYTZGLIXKE-ZWKOTPCHSA-N 2 1 364.578 3.251 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983788 500209580 /nfs/dbraw/zinc/20/95/80/500209580.db2.gz CPRAXSFFPLJQRX-LYRGGWFBSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983788 500209583 /nfs/dbraw/zinc/20/95/83/500209583.db2.gz CPRAXSFFPLJQRX-LYRGGWFBSA-N 2 1 370.900 3.039 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430214061 500210037 /nfs/dbraw/zinc/21/00/37/500210037.db2.gz WNBBPBGJAPVWES-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418034852 500217600 /nfs/dbraw/zinc/21/76/00/500217600.db2.gz OXEBRPBRFZUDSF-JGUMPVPUSA-N 2 1 372.557 3.067 20 0 FGADMP C[C@]1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044849 500220047 /nfs/dbraw/zinc/22/00/47/500220047.db2.gz NLHJKCYDZORMOV-IFMALSPDSA-N 2 1 366.509 3.040 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000418151960 500238161 /nfs/dbraw/zinc/23/81/61/500238161.db2.gz GINFAGGSEGIZML-IBGZPJMESA-N 2 1 372.557 3.248 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175459 500242983 /nfs/dbraw/zinc/24/29/83/500242983.db2.gz FWXHRCWCAMTOOZ-CRAIPNDOSA-N 2 1 366.937 3.022 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430546313 500252137 /nfs/dbraw/zinc/25/21/37/500252137.db2.gz JQCSKJGRBNHYQO-LJQANCHMSA-N 2 1 371.529 3.123 20 0 FGADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430560091 500254827 /nfs/dbraw/zinc/25/48/27/500254827.db2.gz YZLCXNWLOBQTDJ-IBGZPJMESA-N 2 1 359.539 3.261 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598845 500260861 /nfs/dbraw/zinc/26/08/61/500260861.db2.gz UKNHYQVDIXTAOK-MXTNKPTQSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598845 500260863 /nfs/dbraw/zinc/26/08/63/500260863.db2.gz UKNHYQVDIXTAOK-MXTNKPTQSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598843 500261062 /nfs/dbraw/zinc/26/10/62/500261062.db2.gz UKNHYQVDIXTAOK-IAGYGMIVSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598843 500261063 /nfs/dbraw/zinc/26/10/63/500261063.db2.gz UKNHYQVDIXTAOK-IAGYGMIVSA-N 2 1 353.510 3.465 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348045 500266747 /nfs/dbraw/zinc/26/67/47/500266747.db2.gz QYDAMKDHVANDLZ-UYAOXDASSA-N 2 1 366.594 3.164 20 0 FGADMP CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418377337 500269957 /nfs/dbraw/zinc/26/99/57/500269957.db2.gz BGWCNPDOYVPSCI-ACAXCVFMSA-N 2 1 358.530 3.123 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2(C)CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000418530082 500287872 /nfs/dbraw/zinc/28/78/72/500287872.db2.gz VHLHCNUNOPEAGK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000422815502 500302151 /nfs/dbraw/zinc/30/21/51/500302151.db2.gz XRLRVWBLXMYAQN-VXKWHMMOSA-N 2 1 358.574 3.147 20 0 FGADMP C[N@@H+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)c2ccccc2C1 ZINC000430893505 500303283 /nfs/dbraw/zinc/30/32/83/500303283.db2.gz JLXWQZJZESEPOK-UHFFFAOYSA-N 2 1 362.477 3.082 20 0 FGADMP C[N@H+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)c2ccccc2C1 ZINC000430893505 500303285 /nfs/dbraw/zinc/30/32/85/500303285.db2.gz JLXWQZJZESEPOK-UHFFFAOYSA-N 2 1 362.477 3.082 20 0 FGADMP OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422840516 500304364 /nfs/dbraw/zinc/30/43/64/500304364.db2.gz TVVPSJYUUIVKGU-XPWALMASSA-N 2 1 371.569 3.044 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OCC(F)(F)F)c1 ZINC000422867805 500307349 /nfs/dbraw/zinc/30/73/49/500307349.db2.gz SZXKPBGGGGIVPZ-YESZJQIVSA-N 2 1 372.431 3.183 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874440 500308755 /nfs/dbraw/zinc/30/87/55/500308755.db2.gz CYKHHVPDBSTDMA-CBQOVEMMSA-N 3 1 357.542 3.487 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnccc3N)CC2)cs1 ZINC000422906984 500314963 /nfs/dbraw/zinc/31/49/63/500314963.db2.gz ARYBFQSQRCVNKG-AWEZNQCLSA-N 2 1 359.543 3.076 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928464 500318232 /nfs/dbraw/zinc/31/82/32/500318232.db2.gz KQWXVYMLERXQAA-GCJKJVERSA-N 2 1 365.521 3.361 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422931751 500318873 /nfs/dbraw/zinc/31/88/73/500318873.db2.gz CSRIWYQPZNOPST-SKDRFNHKSA-N 2 1 361.799 3.009 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1)CC1CC1 ZINC000418760897 500319329 /nfs/dbraw/zinc/31/93/29/500319329.db2.gz FKHNUFPYFMANTK-FQEVSTJZSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947426 500321616 /nfs/dbraw/zinc/32/16/16/500321616.db2.gz PZUVNBVDPJFRNI-NQDIBGKZSA-N 3 1 371.569 3.306 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422947426 500321618 /nfs/dbraw/zinc/32/16/18/500321618.db2.gz PZUVNBVDPJFRNI-NQDIBGKZSA-N 2 1 371.569 3.306 20 0 FGADMP COc1ccc(CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC(C)(C)C)cc1 ZINC000431079446 500332876 /nfs/dbraw/zinc/33/28/76/500332876.db2.gz YLARAWSHPSYOOD-UHFFFAOYSA-N 2 1 360.502 3.363 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)c3c[nH+]ccc3N)nc12 ZINC000423040726 500334363 /nfs/dbraw/zinc/33/43/63/500334363.db2.gz UYIHYKKAMSZZLP-GFCCVEGCSA-N 2 1 374.286 3.106 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC3([NH+](C)C)CC3)c2c1C ZINC000419001545 500335133 /nfs/dbraw/zinc/33/51/33/500335133.db2.gz LKRIIOFHAVLKCI-UHFFFAOYSA-N 2 1 359.543 3.410 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Br)ccc1Br ZINC000423054453 500336196 /nfs/dbraw/zinc/33/61/96/500336196.db2.gz UOXXWRVJUYEIRJ-DTWKUNHWSA-N 2 1 350.098 3.427 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097112 500341746 /nfs/dbraw/zinc/34/17/46/500341746.db2.gz AJDXTUKLJGOTGK-WZONZLPQSA-N 3 1 367.537 3.208 20 0 FGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097112 500341747 /nfs/dbraw/zinc/34/17/47/500341747.db2.gz AJDXTUKLJGOTGK-WZONZLPQSA-N 2 1 367.537 3.208 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419295110 500350447 /nfs/dbraw/zinc/35/04/47/500350447.db2.gz PZYQWODLQHGZOC-IAGOWNOFSA-N 2 1 357.542 3.421 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423190542 500353137 /nfs/dbraw/zinc/35/31/37/500353137.db2.gz SAIRUQLSFGNMPB-TWHAJKEOSA-N 2 1 365.521 3.258 20 0 FGADMP Brc1cccc2c1C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423190891 500353634 /nfs/dbraw/zinc/35/36/34/500353634.db2.gz RZWYLQSGCVDOGY-KRWDZBQOSA-N 2 1 374.326 3.471 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423220580 500356238 /nfs/dbraw/zinc/35/62/38/500356238.db2.gz VRRAVUWMLQKTTC-RWMBFGLXSA-N 2 1 358.267 3.330 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423260426 500359393 /nfs/dbraw/zinc/35/93/93/500359393.db2.gz HKRGCBCFDHGQKZ-MAUKXSAKSA-N 2 1 350.503 3.279 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423260428 500359431 /nfs/dbraw/zinc/35/94/31/500359431.db2.gz HKRGCBCFDHGQKZ-YJBOKZPZSA-N 2 1 350.503 3.279 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3ccc(OC)cc3C2)cc1 ZINC000423322806 500364127 /nfs/dbraw/zinc/36/41/27/500364127.db2.gz HBMXLWOUXIAFJR-AJSBUHFISA-N 2 1 366.505 3.296 20 0 FGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423461912 500376582 /nfs/dbraw/zinc/37/65/82/500376582.db2.gz OPWODRWVLSVYKX-PGCKRBSRSA-N 2 1 353.554 3.393 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000427275569 500376687 /nfs/dbraw/zinc/37/66/87/500376687.db2.gz PQCAYPKHOXGZIW-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OCCC ZINC000423506632 500380009 /nfs/dbraw/zinc/38/00/09/500380009.db2.gz HJTGXNMXPRWVDH-FUHWJXTLSA-N 2 1 350.503 3.293 20 0 FGADMP Fc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2cccnc2)cc1 ZINC000423521236 500381952 /nfs/dbraw/zinc/38/19/52/500381952.db2.gz SHXGCTQZKVWYNI-HRTMPFAESA-N 2 1 368.500 3.116 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@H]1c1ccccc1 ZINC000570546043 506192487 /nfs/dbraw/zinc/19/24/87/506192487.db2.gz VILJNXOFARXORG-AZUAARDMSA-N 2 1 368.456 3.038 20 0 FGADMP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423637259 500390902 /nfs/dbraw/zinc/39/09/02/500390902.db2.gz RDURQAVKSQPPER-QZTJIDSGSA-N 2 1 358.530 3.223 20 0 FGADMP COc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652416 500403458 /nfs/dbraw/zinc/40/34/58/500403458.db2.gz CEKFGNQLPGPEER-PZJWPPBQSA-N 2 1 373.541 3.213 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC000431653174 500403683 /nfs/dbraw/zinc/40/36/83/500403683.db2.gz YWTMFLNJPQXRMJ-AZUAARDMSA-N 2 1 366.594 3.259 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423811142 500404449 /nfs/dbraw/zinc/40/44/49/500404449.db2.gz BRVGKBXAURJCTC-YCVVXREPSA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@H]1c1ccc(Cl)cc1 ZINC000423811142 500404450 /nfs/dbraw/zinc/40/44/50/500404450.db2.gz BRVGKBXAURJCTC-YCVVXREPSA-N 2 1 361.917 3.122 20 0 FGADMP CC[C@@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000423961110 500424992 /nfs/dbraw/zinc/42/49/92/500424992.db2.gz DLECGYWTCIKQQP-SFTDATJTSA-N 2 1 353.510 3.493 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000431793929 500426053 /nfs/dbraw/zinc/42/60/53/500426053.db2.gz IOVXSGDDNQFARC-NZSAHSFTSA-N 2 1 363.550 3.027 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)cc1 ZINC000420307923 500438161 /nfs/dbraw/zinc/43/81/61/500438161.db2.gz RRVZBEURQMUYBO-GGAORHGYSA-N 2 1 368.521 3.461 20 0 FGADMP C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420320472 500441099 /nfs/dbraw/zinc/44/10/99/500441099.db2.gz QHEDSRFHBJHUCC-ROUUACIJSA-N 2 1 353.293 3.356 20 0 FGADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420320472 500441102 /nfs/dbraw/zinc/44/11/02/500441102.db2.gz QHEDSRFHBJHUCC-ROUUACIJSA-N 2 1 353.293 3.356 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2coc(-c3ccc(Cl)cc3)n2)CC1 ZINC000420329208 500442652 /nfs/dbraw/zinc/44/26/52/500442652.db2.gz NZKWOJKBOMQANS-MSOLQXFVSA-N 2 1 361.873 3.323 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420338354 500443992 /nfs/dbraw/zinc/44/39/92/500443992.db2.gz XUYGNTUYAMQKHA-LSDHHAIUSA-N 2 1 353.304 3.149 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccccc1C(F)(F)F ZINC000420345811 500445383 /nfs/dbraw/zinc/44/53/83/500445383.db2.gz WTDFYURSAQBKRT-HNNXBMFYSA-N 2 1 355.404 3.108 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c2ccccc2S1 ZINC000420346080 500445608 /nfs/dbraw/zinc/44/56/08/500445608.db2.gz XJIMLTRMEQZECD-SJLPKXTDSA-N 2 1 373.566 3.368 20 0 FGADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420380527 500452018 /nfs/dbraw/zinc/45/20/18/500452018.db2.gz CCTIMKLDFCRZMK-ILZDJORESA-N 2 1 361.505 3.199 20 0 FGADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420380527 500452019 /nfs/dbraw/zinc/45/20/19/500452019.db2.gz CCTIMKLDFCRZMK-ILZDJORESA-N 2 1 361.505 3.199 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420384430 500452673 /nfs/dbraw/zinc/45/26/73/500452673.db2.gz DSYYMRRZEFLTLR-YOEHRIQHSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289545 500481777 /nfs/dbraw/zinc/48/17/77/500481777.db2.gz LXGSQOWSGDBSOH-GCJKJVERSA-N 2 1 369.553 3.498 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295864 500482993 /nfs/dbraw/zinc/48/29/93/500482993.db2.gz RLJSHSCQSBWAFG-ZWKOTPCHSA-N 2 1 369.553 3.207 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323407 500486399 /nfs/dbraw/zinc/48/63/99/500486399.db2.gz VYPNFHAYJUEYSH-OALUTQOASA-N 2 1 359.539 3.109 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424323408 500486495 /nfs/dbraw/zinc/48/64/95/500486495.db2.gz VYPNFHAYJUEYSH-RBUKOAKNSA-N 2 1 359.539 3.109 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(Br)c1OC ZINC000424381949 500494264 /nfs/dbraw/zinc/49/42/64/500494264.db2.gz RPHNJLBVDKCTEK-ZIAGYGMSSA-N 2 1 357.292 3.216 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580081 506199166 /nfs/dbraw/zinc/19/91/66/506199166.db2.gz LKFBKWYBYQIZPL-XMSQKQJNSA-N 2 1 365.521 3.356 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580078 506199214 /nfs/dbraw/zinc/19/92/14/506199214.db2.gz LKFBKWYBYQIZPL-AVRDEDQJSA-N 2 1 365.521 3.356 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000420784488 500500608 /nfs/dbraw/zinc/50/06/08/500500608.db2.gz GZFZOSFUQQQRKQ-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000424426069 500502196 /nfs/dbraw/zinc/50/21/96/500502196.db2.gz LACUUNXASKMCPT-UHFFFAOYSA-N 2 1 353.470 3.079 20 0 FGADMP C[C@@H](CCNC(=O)NC1CCC([NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000420791184 500502281 /nfs/dbraw/zinc/50/22/81/500502281.db2.gz HKHBVRLYYGAUAH-KKXNLOMOSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CCCO1 ZINC000432356250 500504487 /nfs/dbraw/zinc/50/44/87/500504487.db2.gz HWOKJRRKYNVTIX-OAHLLOKOSA-N 2 1 362.905 3.321 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[N@H+]3CCCO[C@H](C)C3)CC2)C1 ZINC000432416954 500513389 /nfs/dbraw/zinc/51/33/89/500513389.db2.gz JSCHGIHDGOUFJB-SBHAEUEKSA-N 2 1 351.579 3.120 20 0 FGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425105 500514713 /nfs/dbraw/zinc/51/47/13/500514713.db2.gz LBGFXSFZKZABIV-FUHWJXTLSA-N 2 1 350.503 3.245 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853216 500515991 /nfs/dbraw/zinc/51/59/91/500515991.db2.gz XWVDKICXVLPMHN-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853216 500515993 /nfs/dbraw/zinc/51/59/93/500515993.db2.gz XWVDKICXVLPMHN-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000420960894 500542319 /nfs/dbraw/zinc/54/23/19/500542319.db2.gz IDOVNWWVVJHGDZ-XZOQPEGZSA-N 2 1 365.521 3.054 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695590 500544682 /nfs/dbraw/zinc/54/46/82/500544682.db2.gz WSNMKIJTZIXTRT-UYAOXDASSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695590 500544683 /nfs/dbraw/zinc/54/46/83/500544683.db2.gz WSNMKIJTZIXTRT-UYAOXDASSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695590 500544686 /nfs/dbraw/zinc/54/46/86/500544686.db2.gz WSNMKIJTZIXTRT-UYAOXDASSA-N 2 1 360.546 3.069 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000420980387 500546810 /nfs/dbraw/zinc/54/68/10/500546810.db2.gz WQCXWICEKZAREG-YADHBBJMSA-N 2 1 370.537 3.300 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000420980387 500546811 /nfs/dbraw/zinc/54/68/11/500546811.db2.gz WQCXWICEKZAREG-YADHBBJMSA-N 2 1 370.537 3.300 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432727389 500553345 /nfs/dbraw/zinc/55/33/45/500553345.db2.gz GTPBXUCIGUJVIG-OAHLLOKOSA-N 2 1 351.491 3.368 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432727389 500553348 /nfs/dbraw/zinc/55/33/48/500553348.db2.gz GTPBXUCIGUJVIG-OAHLLOKOSA-N 2 1 351.491 3.368 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000432797208 500565295 /nfs/dbraw/zinc/56/52/95/500565295.db2.gz KLZZBVKGGHQWQR-YPAWHYETSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000432797208 500565296 /nfs/dbraw/zinc/56/52/96/500565296.db2.gz KLZZBVKGGHQWQR-YPAWHYETSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000432797208 500565297 /nfs/dbraw/zinc/56/52/97/500565297.db2.gz KLZZBVKGGHQWQR-YPAWHYETSA-N 2 1 369.553 3.135 20 0 FGADMP Cc1ccc(NC(=O)CCN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346809 500594791 /nfs/dbraw/zinc/59/47/91/500594791.db2.gz HCZQFGZRXAWEOU-RBUKOAKNSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346809 500594795 /nfs/dbraw/zinc/59/47/95/500594795.db2.gz HCZQFGZRXAWEOU-RBUKOAKNSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346809 500594797 /nfs/dbraw/zinc/59/47/97/500594797.db2.gz HCZQFGZRXAWEOU-RBUKOAKNSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346809 500594801 /nfs/dbraw/zinc/59/48/01/500594801.db2.gz HCZQFGZRXAWEOU-RBUKOAKNSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)nc1 ZINC000447346809 500594803 /nfs/dbraw/zinc/59/48/03/500594803.db2.gz HCZQFGZRXAWEOU-RBUKOAKNSA-N 2 1 358.530 3.305 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000447446139 500606856 /nfs/dbraw/zinc/60/68/56/500606856.db2.gz HSKUUMHSNCMBDS-JKSBSHDWSA-N 2 1 367.493 3.108 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000447446139 500606860 /nfs/dbraw/zinc/60/68/60/500606860.db2.gz HSKUUMHSNCMBDS-JKSBSHDWSA-N 2 1 367.493 3.108 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000442757017 500620307 /nfs/dbraw/zinc/62/03/07/500620307.db2.gz FUCSWQCYGFPCNL-VOAKCMCISA-N 2 1 358.313 3.228 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1Cl ZINC000442757017 500620313 /nfs/dbraw/zinc/62/03/13/500620313.db2.gz FUCSWQCYGFPCNL-VOAKCMCISA-N 2 1 358.313 3.228 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766331 500622759 /nfs/dbraw/zinc/62/27/59/500622759.db2.gz NZZOAMLMZLXSRN-PBFPGSCMSA-N 2 1 370.324 3.326 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000442766331 500622760 /nfs/dbraw/zinc/62/27/60/500622760.db2.gz NZZOAMLMZLXSRN-PBFPGSCMSA-N 2 1 370.324 3.326 20 0 FGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876580 500637899 /nfs/dbraw/zinc/63/78/99/500637899.db2.gz RVIOUULHWJERMT-HNNXBMFYSA-N 2 1 357.464 3.252 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442880291 500638857 /nfs/dbraw/zinc/63/88/57/500638857.db2.gz XHGHHEDGKSNHFT-GOSISDBHSA-N 2 1 365.949 3.478 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447677655 500643934 /nfs/dbraw/zinc/64/39/34/500643934.db2.gz HAESTZKJQMNIGU-NHCUHLMSSA-N 2 1 365.477 3.116 20 0 FGADMP O=C([C@H]1CCCCN1Cc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447677655 500643936 /nfs/dbraw/zinc/64/39/36/500643936.db2.gz HAESTZKJQMNIGU-NHCUHLMSSA-N 2 1 365.477 3.116 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061677 500671636 /nfs/dbraw/zinc/67/16/36/500671636.db2.gz SDKHHXHOHCYTBD-HRAATJIYSA-N 2 1 361.505 3.234 20 0 FGADMP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000437629643 500671775 /nfs/dbraw/zinc/67/17/75/500671775.db2.gz ZACHWJAZFUIWTO-SFHVURJKSA-N 2 1 364.578 3.392 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Cc2ccccc2)C1 ZINC000443065376 500672718 /nfs/dbraw/zinc/67/27/18/500672718.db2.gz ZRWDMMLYMNDXQJ-LJQANCHMSA-N 2 1 351.494 3.277 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000448034284 500710780 /nfs/dbraw/zinc/71/07/80/500710780.db2.gz HCKBBOLWBQLTTK-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433574416 500715613 /nfs/dbraw/zinc/71/56/13/500715613.db2.gz IUYMFLZBSFYOAV-NRFANRHFSA-N 2 1 370.541 3.099 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211735 500733411 /nfs/dbraw/zinc/73/34/11/500733411.db2.gz DYTZEUHWDNXQKD-PZJWPPBQSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000448211735 500733415 /nfs/dbraw/zinc/73/34/15/500733415.db2.gz DYTZEUHWDNXQKD-PZJWPPBQSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000448211735 500733417 /nfs/dbraw/zinc/73/34/17/500733417.db2.gz DYTZEUHWDNXQKD-PZJWPPBQSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252165 500739050 /nfs/dbraw/zinc/73/90/50/500739050.db2.gz LZHVGDACBGMKDT-LNLFQRSKSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424937 500759661 /nfs/dbraw/zinc/75/96/61/500759661.db2.gz HTVSOKXUEHSBLC-LPHOPBHVSA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424937 500759664 /nfs/dbraw/zinc/75/96/64/500759664.db2.gz HTVSOKXUEHSBLC-LPHOPBHVSA-N 2 1 365.949 3.427 20 0 FGADMP CC[N@@H+](C)CCNC(=O)[C@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000433984348 500775896 /nfs/dbraw/zinc/77/58/96/500775896.db2.gz HIPDKLBDDNAVOV-KRWDZBQOSA-N 2 1 355.885 3.074 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438582176 500804847 /nfs/dbraw/zinc/80/48/47/500804847.db2.gz SPVOCIQEVFYPRC-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438582176 500804851 /nfs/dbraw/zinc/80/48/51/500804851.db2.gz SPVOCIQEVFYPRC-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438582176 500804854 /nfs/dbraw/zinc/80/48/54/500804854.db2.gz SPVOCIQEVFYPRC-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1Cc1ccco1 ZINC000444283403 500828809 /nfs/dbraw/zinc/82/88/09/500828809.db2.gz DQUUGZIIDUEERS-UHFFFAOYSA-N 2 1 357.498 3.203 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000434346780 500829246 /nfs/dbraw/zinc/82/92/46/500829246.db2.gz NZSYPVSSLOCILL-HXUWFJFHSA-N 2 1 364.578 3.157 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000434346780 500829249 /nfs/dbraw/zinc/82/92/49/500829249.db2.gz NZSYPVSSLOCILL-HXUWFJFHSA-N 2 1 364.578 3.157 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CC1 ZINC000434346780 500829253 /nfs/dbraw/zinc/82/92/53/500829253.db2.gz NZSYPVSSLOCILL-HXUWFJFHSA-N 2 1 364.578 3.157 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000582425934 506220005 /nfs/dbraw/zinc/22/00/05/506220005.db2.gz UQWZYWWZSREIHZ-FQEVSTJZSA-N 2 1 357.523 3.015 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038741 500908440 /nfs/dbraw/zinc/90/84/40/500908440.db2.gz WXPUXHDZJWHHBE-QGZVFWFLSA-N 2 1 356.489 3.390 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038741 500908441 /nfs/dbraw/zinc/90/84/41/500908441.db2.gz WXPUXHDZJWHHBE-QGZVFWFLSA-N 2 1 356.489 3.390 20 0 FGADMP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038741 500908443 /nfs/dbraw/zinc/90/84/43/500908443.db2.gz WXPUXHDZJWHHBE-QGZVFWFLSA-N 2 1 356.489 3.390 20 0 FGADMP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(-c2ccc(F)cc2)n1 ZINC000449038741 500908445 /nfs/dbraw/zinc/90/84/45/500908445.db2.gz WXPUXHDZJWHHBE-QGZVFWFLSA-N 2 1 356.489 3.390 20 0 FGADMP Ic1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000449095965 500924467 /nfs/dbraw/zinc/92/44/67/500924467.db2.gz CYTVKKCXGNLKOG-UHFFFAOYSA-N 2 1 370.278 3.398 20 0 FGADMP COc1cccc2c(C[NH2+]CC3CCN(CC[NH+](C)C)CC3)cccc12 ZINC000449131420 500932127 /nfs/dbraw/zinc/93/21/27/500932127.db2.gz MOHRSOMWRPTZEK-UHFFFAOYSA-N 2 1 355.526 3.212 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439844137 500944986 /nfs/dbraw/zinc/94/49/86/500944986.db2.gz SVMLKKMCQBYXKN-IFMALSPDSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439844137 500944987 /nfs/dbraw/zinc/94/49/87/500944987.db2.gz SVMLKKMCQBYXKN-IFMALSPDSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439844137 500944988 /nfs/dbraw/zinc/94/49/88/500944988.db2.gz SVMLKKMCQBYXKN-IFMALSPDSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000435375363 500962258 /nfs/dbraw/zinc/96/22/58/500962258.db2.gz UPDDRQXGOURUPM-PXNSSMCTSA-N 2 1 367.493 3.027 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373943 500962549 /nfs/dbraw/zinc/96/25/49/500962549.db2.gz OLKKONUPICHZOI-UKRRQHHQSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435383764 500964278 /nfs/dbraw/zinc/96/42/78/500964278.db2.gz JSWMQVSZIAQCTE-ZFWWWQNUSA-N 2 1 352.404 3.450 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]12 ZINC000435388655 500965765 /nfs/dbraw/zinc/96/57/65/500965765.db2.gz IHNUVQOLCZVWPS-IOMROCGXSA-N 2 1 359.477 3.103 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]12 ZINC000435387572 500965964 /nfs/dbraw/zinc/96/59/64/500965964.db2.gz ASMRHJVRWALUKB-FVQBIDKESA-N 2 1 350.388 3.060 20 0 FGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)C1 ZINC000435396815 500967225 /nfs/dbraw/zinc/96/72/25/500967225.db2.gz ZAFLLQVFUOYKDI-MRXNPFEDSA-N 2 1 350.441 3.459 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435397977 500967932 /nfs/dbraw/zinc/96/79/32/500967932.db2.gz LSVNXTUXNGGFCJ-HNNXBMFYSA-N 2 1 352.404 3.121 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435397977 500967935 /nfs/dbraw/zinc/96/79/35/500967935.db2.gz LSVNXTUXNGGFCJ-HNNXBMFYSA-N 2 1 352.404 3.121 20 0 FGADMP COC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000435427789 500973339 /nfs/dbraw/zinc/97/33/39/500973339.db2.gz NGOGZSXYUUGNKL-KRWDZBQOSA-N 2 1 360.479 3.272 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000435427789 500973341 /nfs/dbraw/zinc/97/33/41/500973341.db2.gz NGOGZSXYUUGNKL-KRWDZBQOSA-N 2 1 360.479 3.272 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615639 501002680 /nfs/dbraw/zinc/00/26/80/501002680.db2.gz ILOOEONGHJXSKG-QAPCUYQASA-N 2 1 351.560 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435615639 501002681 /nfs/dbraw/zinc/00/26/81/501002681.db2.gz ILOOEONGHJXSKG-QAPCUYQASA-N 2 1 351.560 3.416 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435631072 501005299 /nfs/dbraw/zinc/00/52/99/501005299.db2.gz ZSTQNFLJSVCZAK-UWJYYQICSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](C)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435631072 501005302 /nfs/dbraw/zinc/00/53/02/501005302.db2.gz ZSTQNFLJSVCZAK-UWJYYQICSA-N 2 1 353.510 3.481 20 0 FGADMP Cc1cccc(OCC[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435693686 501013631 /nfs/dbraw/zinc/01/36/31/501013631.db2.gz JVRLYXSACXKCAB-SFHVURJKSA-N 2 1 357.523 3.475 20 0 FGADMP Cc1cccc(OCC[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435693686 501013634 /nfs/dbraw/zinc/01/36/34/501013634.db2.gz JVRLYXSACXKCAB-SFHVURJKSA-N 2 1 357.523 3.475 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000449487087 501014690 /nfs/dbraw/zinc/01/46/90/501014690.db2.gz WPQWAZMKNOVSDM-WMZOPIPTSA-N 2 1 364.530 3.355 20 0 FGADMP CCO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1C ZINC000449490817 501015555 /nfs/dbraw/zinc/01/55/55/501015555.db2.gz CZZSNDOMZJJWHR-GCJKJVERSA-N 2 1 359.558 3.464 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495495 501017768 /nfs/dbraw/zinc/01/77/68/501017768.db2.gz HUGSRGKVBARWAY-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495495 501017770 /nfs/dbraw/zinc/01/77/70/501017770.db2.gz HUGSRGKVBARWAY-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495495 501017774 /nfs/dbraw/zinc/01/77/74/501017774.db2.gz HUGSRGKVBARWAY-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495495 501017778 /nfs/dbraw/zinc/01/77/78/501017778.db2.gz HUGSRGKVBARWAY-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449500203 501018556 /nfs/dbraw/zinc/01/85/56/501018556.db2.gz MPCKGNDVPVXARO-TZIWHRDSSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449500203 501018559 /nfs/dbraw/zinc/01/85/59/501018559.db2.gz MPCKGNDVPVXARO-TZIWHRDSSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449500203 501018562 /nfs/dbraw/zinc/01/85/62/501018562.db2.gz MPCKGNDVPVXARO-TZIWHRDSSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000449500203 501018564 /nfs/dbraw/zinc/01/85/64/501018564.db2.gz MPCKGNDVPVXARO-TZIWHRDSSA-N 2 1 357.542 3.056 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538764 501020909 /nfs/dbraw/zinc/02/09/09/501020909.db2.gz RPOMDJASFIBYIM-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538764 501020912 /nfs/dbraw/zinc/02/09/12/501020912.db2.gz RPOMDJASFIBYIM-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538764 501020915 /nfs/dbraw/zinc/02/09/15/501020915.db2.gz RPOMDJASFIBYIM-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511441 501022168 /nfs/dbraw/zinc/02/21/68/501022168.db2.gz YPSDMEKTGZRQJD-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511441 501022171 /nfs/dbraw/zinc/02/21/71/501022171.db2.gz YPSDMEKTGZRQJD-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511441 501022172 /nfs/dbraw/zinc/02/21/72/501022172.db2.gz YPSDMEKTGZRQJD-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000449511441 501022175 /nfs/dbraw/zinc/02/21/75/501022175.db2.gz YPSDMEKTGZRQJD-NRFANRHFSA-N 2 1 357.542 3.070 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C)C(C)C ZINC000440799201 501049899 /nfs/dbraw/zinc/04/98/99/501049899.db2.gz JTOOMBYFAKHQCM-HXUWFJFHSA-N 2 1 371.529 3.271 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000445972483 501056572 /nfs/dbraw/zinc/05/65/72/501056572.db2.gz WMUYJSZSBPVCHV-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449785991 501087249 /nfs/dbraw/zinc/08/72/49/501087249.db2.gz KJLSXINHFVSGQQ-NRFANRHFSA-N 2 1 358.574 3.132 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255233 501096155 /nfs/dbraw/zinc/09/61/55/501096155.db2.gz UMWMVKRNLWNFEM-DYESRHJHSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255233 501096157 /nfs/dbraw/zinc/09/61/57/501096157.db2.gz UMWMVKRNLWNFEM-DYESRHJHSA-N 2 1 367.468 3.280 20 0 FGADMP Fc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)cc1C[NH+]1CC[C@]2(CCOC2)C1 ZINC000450484851 501133657 /nfs/dbraw/zinc/13/36/57/501133657.db2.gz NIGQVDOOAPVXFD-VXKWHMMOSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@]3(CCOC3)C2)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000450484851 501133661 /nfs/dbraw/zinc/13/36/61/501133661.db2.gz NIGQVDOOAPVXFD-VXKWHMMOSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@]3(CCOC3)C2)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000450484851 501133663 /nfs/dbraw/zinc/13/36/63/501133663.db2.gz NIGQVDOOAPVXFD-VXKWHMMOSA-N 2 1 374.500 3.051 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449872 501141469 /nfs/dbraw/zinc/14/14/69/501141469.db2.gz RMOPWVHNLPDELE-QGZVFWFLSA-N 2 1 363.933 3.154 20 0 FGADMP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000446611708 501141711 /nfs/dbraw/zinc/14/17/11/501141711.db2.gz ACGGRCVUJVGGHA-UYAOXDASSA-N 2 1 372.557 3.338 20 0 FGADMP CN(CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000450643156 501173686 /nfs/dbraw/zinc/17/36/86/501173686.db2.gz QJBMUXNTPGBGCG-UHFFFAOYSA-N 2 1 352.526 3.362 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCC3=CCCCC3)CC2)C[C@H](C)O1 ZINC000450643360 501173825 /nfs/dbraw/zinc/17/38/25/501173825.db2.gz BFTWFBIUQWKUHP-OALUTQOASA-N 2 1 350.547 3.467 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCC1 ZINC000611639500 506239241 /nfs/dbraw/zinc/23/92/41/506239241.db2.gz DZLGKWZAUSANEP-ROUUACIJSA-N 2 1 364.534 3.082 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000447040607 501196334 /nfs/dbraw/zinc/19/63/34/501196334.db2.gz VIALFSLDPFJFKZ-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@H+](C[C@H]1CCCCC1(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781015 501206986 /nfs/dbraw/zinc/20/69/86/501206986.db2.gz RUUYBEFWEYLFBX-MOPGFXCFSA-N 2 1 352.469 3.381 20 0 FGADMP C[N@@H+](C[C@H]1CCCCC1(F)F)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781015 501206990 /nfs/dbraw/zinc/20/69/90/501206990.db2.gz RUUYBEFWEYLFBX-MOPGFXCFSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@H]1CCCCC1(F)F)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450781015 501206994 /nfs/dbraw/zinc/20/69/94/501206994.db2.gz RUUYBEFWEYLFBX-MOPGFXCFSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@H]1CCCCC1(F)F)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450781015 501206998 /nfs/dbraw/zinc/20/69/98/501206998.db2.gz RUUYBEFWEYLFBX-MOPGFXCFSA-N 2 1 352.469 3.381 20 0 FGADMP C[N@H+](C[C@@H]1CCCCC1(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781017 501207311 /nfs/dbraw/zinc/20/73/11/501207311.db2.gz RUUYBEFWEYLFBX-RBUKOAKNSA-N 2 1 352.469 3.381 20 0 FGADMP C[N@@H+](C[C@@H]1CCCCC1(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781017 501207314 /nfs/dbraw/zinc/20/73/14/501207314.db2.gz RUUYBEFWEYLFBX-RBUKOAKNSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@@H]1CCCCC1(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450781017 501207317 /nfs/dbraw/zinc/20/73/17/501207317.db2.gz RUUYBEFWEYLFBX-RBUKOAKNSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@@H]1CCCCC1(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450781017 501207318 /nfs/dbraw/zinc/20/73/18/501207318.db2.gz RUUYBEFWEYLFBX-RBUKOAKNSA-N 2 1 352.469 3.381 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3CC[NH+](Cc4cnn(C)c4)CC3)c2c1 ZINC000450317404 501232460 /nfs/dbraw/zinc/23/24/60/501232460.db2.gz KKHKMXDBVZBEAC-UHFFFAOYSA-N 2 1 365.481 3.078 20 0 FGADMP Fc1ccc(C[NH+]2CCC[C@]23CCOC3)cc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000450947958 501234468 /nfs/dbraw/zinc/23/44/68/501234468.db2.gz ZHGJSLBJOMGHCI-YADHBBJMSA-N 2 1 374.500 3.336 20 0 FGADMP CCC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCC1 ZINC000453056205 501259733 /nfs/dbraw/zinc/25/97/33/501259733.db2.gz FCJKSFALVFTQKI-OAQYLSRUSA-N 2 1 373.541 3.406 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453249685 501299542 /nfs/dbraw/zinc/29/95/42/501299542.db2.gz YNPHTFPERTYCLA-YPAWHYETSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277355 501306009 /nfs/dbraw/zinc/30/60/09/501306009.db2.gz JEFVEFOGSUMPJD-HDAAZOAOSA-N 2 1 369.553 3.311 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532438 501315519 /nfs/dbraw/zinc/31/55/19/501315519.db2.gz TURJEDIQCWAZMO-PZJWPPBQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532438 501315521 /nfs/dbraw/zinc/31/55/21/501315521.db2.gz TURJEDIQCWAZMO-PZJWPPBQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532438 501315523 /nfs/dbraw/zinc/31/55/23/501315523.db2.gz TURJEDIQCWAZMO-PZJWPPBQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532438 501315524 /nfs/dbraw/zinc/31/55/24/501315524.db2.gz TURJEDIQCWAZMO-PZJWPPBQSA-N 2 1 363.590 3.469 20 0 FGADMP C[N@@H+](CCCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CC1 ZINC000453413840 501326959 /nfs/dbraw/zinc/32/69/59/501326959.db2.gz WMUJHPWXTYAXFH-UHFFFAOYSA-N 2 1 363.933 3.409 20 0 FGADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638179 501495282 /nfs/dbraw/zinc/49/52/82/501495282.db2.gz SUVOQNITOBGVMO-RTBURBONSA-N 2 1 364.578 3.205 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456336151 501502338 /nfs/dbraw/zinc/50/23/38/501502338.db2.gz NGJXSDKGAKPELQ-LJQANCHMSA-N 2 1 368.525 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000456336151 501502341 /nfs/dbraw/zinc/50/23/41/501502341.db2.gz NGJXSDKGAKPELQ-LJQANCHMSA-N 2 1 368.525 3.377 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665701 501502922 /nfs/dbraw/zinc/50/29/22/501502922.db2.gz JCFAYWYUBVVNOJ-NHCUHLMSSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000458665701 501502924 /nfs/dbraw/zinc/50/29/24/501502924.db2.gz JCFAYWYUBVVNOJ-NHCUHLMSSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000458665701 501502926 /nfs/dbraw/zinc/50/29/26/501502926.db2.gz JCFAYWYUBVVNOJ-NHCUHLMSSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458670730 501503937 /nfs/dbraw/zinc/50/39/37/501503937.db2.gz IJUDKDCSGYAYRL-ICSRJNTNSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000454357391 501522452 /nfs/dbraw/zinc/52/24/52/501522452.db2.gz CRXNOYSBGMHIFT-KRWDZBQOSA-N 2 1 360.546 3.200 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)C[C@H]2CC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793582 501533006 /nfs/dbraw/zinc/53/30/06/501533006.db2.gz NNMHKNFPPWXSDI-FPOVZHCZSA-N 2 1 374.573 3.225 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981239 501570159 /nfs/dbraw/zinc/57/01/59/501570159.db2.gz TVOYEKFNXKUXSO-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458981239 501570161 /nfs/dbraw/zinc/57/01/61/501570161.db2.gz TVOYEKFNXKUXSO-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458981239 501570164 /nfs/dbraw/zinc/57/01/64/501570164.db2.gz TVOYEKFNXKUXSO-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP CCOC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007306 501600079 /nfs/dbraw/zinc/60/00/79/501600079.db2.gz CWZMYCRQJSWZSP-RTWAWAEBSA-N 2 1 360.542 3.006 20 0 FGADMP CN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459158320 501605649 /nfs/dbraw/zinc/60/56/49/501605649.db2.gz NCOCZKAECQPXKS-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459158320 501605653 /nfs/dbraw/zinc/60/56/53/501605653.db2.gz NCOCZKAECQPXKS-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459158320 501605657 /nfs/dbraw/zinc/60/56/57/501605657.db2.gz NCOCZKAECQPXKS-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000459327848 501631683 /nfs/dbraw/zinc/63/16/83/501631683.db2.gz XVCKWPQJIQBOHJ-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350820 501637150 /nfs/dbraw/zinc/63/71/50/501637150.db2.gz SVBYQDKIGBISND-FPOVZHCZSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)CCO1 ZINC000459350820 501637152 /nfs/dbraw/zinc/63/71/52/501637152.db2.gz SVBYQDKIGBISND-FPOVZHCZSA-N 2 1 357.542 3.362 20 0 FGADMP Cc1cc(F)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000459390139 501645161 /nfs/dbraw/zinc/64/51/61/501645161.db2.gz OUWKWBCNWSWCJU-UHFFFAOYSA-N 2 1 353.913 3.436 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1)C(C)C ZINC000588303397 506265779 /nfs/dbraw/zinc/26/57/79/506265779.db2.gz WZJVSZATQCAPFH-UHFFFAOYSA-N 2 1 374.573 3.067 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1)C(C)C ZINC000588303397 506265787 /nfs/dbraw/zinc/26/57/87/506265787.db2.gz WZJVSZATQCAPFH-UHFFFAOYSA-N 2 1 374.573 3.067 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C(C)C ZINC000588303397 506265794 /nfs/dbraw/zinc/26/57/94/506265794.db2.gz WZJVSZATQCAPFH-UHFFFAOYSA-N 2 1 374.573 3.067 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000459436201 501653481 /nfs/dbraw/zinc/65/34/81/501653481.db2.gz FLXZGVGAIKEHCA-VQIMIIECSA-N 2 1 374.554 3.049 20 0 FGADMP C[NH+](C)C[C@](C)(O)C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1 ZINC000459440854 501654699 /nfs/dbraw/zinc/65/46/99/501654699.db2.gz XTHDWRGYYQYIBM-HWWNHIDJSA-N 2 1 354.494 3.181 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669369 501760247 /nfs/dbraw/zinc/76/02/47/501760247.db2.gz JXQGROKOMOWCCB-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@H](C)C1 ZINC000467354154 501775492 /nfs/dbraw/zinc/77/54/92/501775492.db2.gz LXLPRQOALGCSGY-XNTOXWQXSA-N 2 1 352.563 3.308 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)C2 ZINC000474288185 501777156 /nfs/dbraw/zinc/77/71/56/501777156.db2.gz AQBSLLVXPOAGBK-QGZVFWFLSA-N 2 1 354.498 3.016 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470742178 501789080 /nfs/dbraw/zinc/78/90/80/501789080.db2.gz GSAPRTCTCGVCOE-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCO[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000477926195 501831275 /nfs/dbraw/zinc/83/12/75/501831275.db2.gz KNSFOGLUZZYYDY-WSWWRLHASA-N 2 1 360.542 3.491 20 0 FGADMP C[C@@H](CCNC(=O)NC1CC([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000474439367 501837767 /nfs/dbraw/zinc/83/77/67/501837767.db2.gz MBWUDSFHMKHBFF-PELRDEGISA-N 2 1 372.557 3.213 20 0 FGADMP OC(C[NH+]1CCCc2ccccc2C1)C[N@@H+]1CCCc2ccccc2C1 ZINC000481750609 501872934 /nfs/dbraw/zinc/87/29/34/501872934.db2.gz PYNGIUAKYLKUCC-UHFFFAOYSA-N 2 1 350.506 3.244 20 0 FGADMP OC(C[NH+]1CCCc2ccccc2C1)C[N@H+]1CCCc2ccccc2C1 ZINC000481750609 501872939 /nfs/dbraw/zinc/87/29/39/501872939.db2.gz PYNGIUAKYLKUCC-UHFFFAOYSA-N 2 1 350.506 3.244 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671593 501896594 /nfs/dbraw/zinc/89/65/94/501896594.db2.gz JBQPONCWVPFCHU-HOCLYGCPSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671593 501896597 /nfs/dbraw/zinc/89/65/97/501896597.db2.gz JBQPONCWVPFCHU-HOCLYGCPSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671593 501896600 /nfs/dbraw/zinc/89/66/00/501896600.db2.gz JBQPONCWVPFCHU-HOCLYGCPSA-N 2 1 367.921 3.482 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2(c3ccc(F)cc3F)CCCC2)CC1 ZINC000485723903 501915401 /nfs/dbraw/zinc/91/54/01/501915401.db2.gz IFUVBWZULKKGOR-UHFFFAOYSA-N 2 1 352.469 3.477 20 0 FGADMP CC(C)C[C@@H](CNC(=O)N1CC[NH+](C2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468007036 501927961 /nfs/dbraw/zinc/92/79/61/501927961.db2.gz UJZRUULDEGJPHB-ICSRJNTNSA-N 2 1 372.557 3.242 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000482080341 501968934 /nfs/dbraw/zinc/96/89/34/501968934.db2.gz JNWVZQMVWHUGDA-YYWHXJBOSA-N 2 1 357.542 3.497 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000478482996 501996603 /nfs/dbraw/zinc/99/66/03/501996603.db2.gz ILMKSBVNEVAWOR-IBGZPJMESA-N 2 1 361.574 3.412 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474995604 502015505 /nfs/dbraw/zinc/01/55/05/502015505.db2.gz ZQVHHOALRSWELN-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474995604 502015511 /nfs/dbraw/zinc/01/55/11/502015511.db2.gz ZQVHHOALRSWELN-UXHICEINSA-N 2 1 361.505 3.123 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)CC3CCCC3)CC2)CC1 ZINC000475037345 502029177 /nfs/dbraw/zinc/02/91/77/502029177.db2.gz CUPCVUUZGBWPKZ-JOCHJYFZSA-N 2 1 365.606 3.056 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)CC1CCCC1 ZINC000475037345 502029181 /nfs/dbraw/zinc/02/91/81/502029181.db2.gz CUPCVUUZGBWPKZ-JOCHJYFZSA-N 3 1 365.606 3.056 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)CC1CCCC1 ZINC000475037345 502029188 /nfs/dbraw/zinc/02/91/88/502029188.db2.gz CUPCVUUZGBWPKZ-JOCHJYFZSA-N 3 1 365.606 3.056 20 0 FGADMP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000475039056 502031122 /nfs/dbraw/zinc/03/11/22/502031122.db2.gz OFCXEVQNTFBGAM-IBGZPJMESA-N 2 1 359.539 3.378 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000475039056 502031126 /nfs/dbraw/zinc/03/11/26/502031126.db2.gz OFCXEVQNTFBGAM-IBGZPJMESA-N 2 1 359.539 3.378 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)oc2ccccc21 ZINC000464654922 502056935 /nfs/dbraw/zinc/05/69/35/502056935.db2.gz CNHIFFHGCBTRST-QGZVFWFLSA-N 2 1 357.498 3.229 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475128552 502069326 /nfs/dbraw/zinc/06/93/26/502069326.db2.gz JDIVOWGPBKMHFQ-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475128552 502069331 /nfs/dbraw/zinc/06/93/31/502069331.db2.gz JDIVOWGPBKMHFQ-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475128552 502069336 /nfs/dbraw/zinc/06/93/36/502069336.db2.gz JDIVOWGPBKMHFQ-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000482467332 502078052 /nfs/dbraw/zinc/07/80/52/502078052.db2.gz GECQVHMSUVVAMW-QFIPXVFZSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000482467332 502078058 /nfs/dbraw/zinc/07/80/58/502078058.db2.gz GECQVHMSUVVAMW-QFIPXVFZSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+](CC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000482467332 502078063 /nfs/dbraw/zinc/07/80/63/502078063.db2.gz GECQVHMSUVVAMW-QFIPXVFZSA-N 2 1 365.521 3.145 20 0 FGADMP C[NH+](CC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000482467332 502078067 /nfs/dbraw/zinc/07/80/67/502078067.db2.gz GECQVHMSUVVAMW-QFIPXVFZSA-N 2 1 365.521 3.145 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H]2CCCC[C@@H]2C)CC1 ZINC000475151851 502082553 /nfs/dbraw/zinc/08/25/53/502082553.db2.gz SGCZSMAMLYMHPR-FPOVZHCZSA-N 2 1 357.542 3.198 20 0 FGADMP CC(C)[C@H](CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525295 502092028 /nfs/dbraw/zinc/09/20/28/502092028.db2.gz VDBDZNWYGAEITN-WFXMLNOXSA-N 2 1 357.542 3.058 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2ccccc2c1C ZINC000482525202 502099466 /nfs/dbraw/zinc/09/94/66/502099466.db2.gz QVNLYWMIVPUXHE-SFHVURJKSA-N 2 1 368.525 3.031 20 0 FGADMP COc1ccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)ccc2c1 ZINC000482534674 502103348 /nfs/dbraw/zinc/10/33/48/502103348.db2.gz JUMSDFKQGQDZTE-OXJNMPFZSA-N 2 1 369.509 3.086 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772391 502133244 /nfs/dbraw/zinc/13/32/44/502133244.db2.gz SCSSENQNZOUHLY-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772391 502133250 /nfs/dbraw/zinc/13/32/50/502133250.db2.gz SCSSENQNZOUHLY-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772391 502133254 /nfs/dbraw/zinc/13/32/54/502133254.db2.gz SCSSENQNZOUHLY-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000468664663 502140233 /nfs/dbraw/zinc/14/02/33/502140233.db2.gz BQKPIRQMVMDBJX-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000471832155 502147644 /nfs/dbraw/zinc/14/76/44/502147644.db2.gz JUAJOGVVWAXZJD-TZIWHRDSSA-N 2 1 351.494 3.297 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000471832155 502147650 /nfs/dbraw/zinc/14/76/50/502147650.db2.gz JUAJOGVVWAXZJD-TZIWHRDSSA-N 2 1 351.494 3.297 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000468749593 502169578 /nfs/dbraw/zinc/16/95/78/502169578.db2.gz NNUKJOXJVPCLQM-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000468753206 502172249 /nfs/dbraw/zinc/17/22/49/502172249.db2.gz ACUMSUQIZDMNBV-KZNAEPCWSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000468753206 502172254 /nfs/dbraw/zinc/17/22/54/502172254.db2.gz ACUMSUQIZDMNBV-KZNAEPCWSA-N 2 1 361.530 3.043 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000461799158 502206755 /nfs/dbraw/zinc/20/67/55/502206755.db2.gz CZXAVGGQRVWCGM-PMACEKPBSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2c(s1)CCCC2 ZINC000482899845 502211388 /nfs/dbraw/zinc/21/13/88/502211388.db2.gz LGMIFQXINLIOKB-OAHLLOKOSA-N 2 1 363.571 3.220 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000472066957 502217708 /nfs/dbraw/zinc/21/77/08/502217708.db2.gz ZKIPGQYFXJIMLF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000472093114 502228799 /nfs/dbraw/zinc/22/87/99/502228799.db2.gz GTRPXUJCHBNLSW-IBGZPJMESA-N 2 1 374.573 3.197 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468939027 502237480 /nfs/dbraw/zinc/23/74/80/502237480.db2.gz LZQLVGUDRTWYEW-NRFANRHFSA-N 2 1 364.493 3.241 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139919 502245689 /nfs/dbraw/zinc/24/56/89/502245689.db2.gz IYJNOHFNAIKUMG-ZWKOTPCHSA-N 2 1 371.525 3.163 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479408849 502249097 /nfs/dbraw/zinc/24/90/97/502249097.db2.gz DSGMSYZGMXCYOV-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000475732536 502269086 /nfs/dbraw/zinc/26/90/86/502269086.db2.gz YGLRGDBLKSQAER-JOCHJYFZSA-N 2 1 352.526 3.488 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000475732536 502269089 /nfs/dbraw/zinc/26/90/89/502269089.db2.gz YGLRGDBLKSQAER-JOCHJYFZSA-N 2 1 352.526 3.488 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000475732536 502269095 /nfs/dbraw/zinc/26/90/95/502269095.db2.gz YGLRGDBLKSQAER-JOCHJYFZSA-N 2 1 352.526 3.488 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462010635 502273546 /nfs/dbraw/zinc/27/35/46/502273546.db2.gz OTYOYQXVAYLALD-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462010635 502273551 /nfs/dbraw/zinc/27/35/51/502273551.db2.gz OTYOYQXVAYLALD-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462010635 502273557 /nfs/dbraw/zinc/27/35/57/502273557.db2.gz OTYOYQXVAYLALD-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462016157 502275483 /nfs/dbraw/zinc/27/54/83/502275483.db2.gz QGKCINPAHAWSML-SFHVURJKSA-N 2 1 360.546 3.021 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000479526240 502286695 /nfs/dbraw/zinc/28/66/95/502286695.db2.gz KRJOEPVCVCSBRF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479526240 502286699 /nfs/dbraw/zinc/28/66/99/502286699.db2.gz KRJOEPVCVCSBRF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479526240 502286704 /nfs/dbraw/zinc/28/67/04/502286704.db2.gz KRJOEPVCVCSBRF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265431 502289439 /nfs/dbraw/zinc/28/94/39/502289439.db2.gz NNCQKYPNZFADMI-HUUCEWRRSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265431 502289446 /nfs/dbraw/zinc/28/94/46/502289446.db2.gz NNCQKYPNZFADMI-HUUCEWRRSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266592 502290809 /nfs/dbraw/zinc/29/08/09/502290809.db2.gz UVWGUPOHHKEIPJ-UYAOXDASSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266592 502290816 /nfs/dbraw/zinc/29/08/16/502290816.db2.gz UVWGUPOHHKEIPJ-UYAOXDASSA-N 2 1 361.530 3.063 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C(C)(C)C1 ZINC000472277895 502295326 /nfs/dbraw/zinc/29/53/26/502295326.db2.gz OCHWLOPBGUQVMP-INIZCTEOSA-N 2 1 361.555 3.294 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291159 502301736 /nfs/dbraw/zinc/30/17/36/502301736.db2.gz IRCMEUJCYVGFGK-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291159 502301742 /nfs/dbraw/zinc/30/17/42/502301742.db2.gz IRCMEUJCYVGFGK-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccc1 ZINC000465550146 502302651 /nfs/dbraw/zinc/30/26/51/502302651.db2.gz WLGCBGKJDIVYOQ-HXUWFJFHSA-N 2 1 374.573 3.022 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]C/C=C\c3ccncc3)cc2)C[C@H](C)O1 ZINC000486965324 502317901 /nfs/dbraw/zinc/31/79/01/502317901.db2.gz IRMHQDJUEOSULE-FANKGXDISA-N 2 1 351.494 3.494 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1F ZINC000486986555 502324126 /nfs/dbraw/zinc/32/41/26/502324126.db2.gz KIHVACFMPQNDQG-UHFFFAOYSA-N 2 1 358.457 3.346 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCC[NH+]1CCCC1 ZINC000465627787 502329844 /nfs/dbraw/zinc/32/98/44/502329844.db2.gz HFGYUFMRMXKNOR-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@H]1CCN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465633603 502332287 /nfs/dbraw/zinc/33/22/87/502332287.db2.gz PVIWRGQGHGWMEU-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP CN(C)c1cc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000483324704 502350514 /nfs/dbraw/zinc/35/05/14/502350514.db2.gz PGMGHASBAJNGCG-UHFFFAOYSA-N 2 1 352.482 3.388 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465747428 502369102 /nfs/dbraw/zinc/36/91/02/502369102.db2.gz FNMFPTHAPVCNMN-GUDVDZBRSA-N 2 1 366.594 3.259 20 0 FGADMP CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(F)(F)F ZINC000469321195 502375177 /nfs/dbraw/zinc/37/51/77/502375177.db2.gz HDHZWBJAEWDUNE-BRSBDYLESA-N 2 1 356.432 3.454 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451385 502396884 /nfs/dbraw/zinc/39/68/84/502396884.db2.gz CPDMWYAHERJMJB-KCYZZUKISA-N 2 1 374.447 3.055 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@H]1C ZINC000483494475 502411080 /nfs/dbraw/zinc/41/10/80/502411080.db2.gz ADIPZMYLHQZARA-GIVPXCGWSA-N 2 1 372.557 3.338 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000469425824 502412622 /nfs/dbraw/zinc/41/26/22/502412622.db2.gz GMOYMLQOCHVZGR-OAQYLSRUSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2c(c1)COC2 ZINC000479925622 502420827 /nfs/dbraw/zinc/42/08/27/502420827.db2.gz FEVYNFLOGCYXJW-QGZVFWFLSA-N 2 1 352.478 3.400 20 0 FGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000479962023 502431271 /nfs/dbraw/zinc/43/12/71/502431271.db2.gz ITRKLBCQEQKXBE-UHFFFAOYSA-N 2 1 364.449 3.156 20 0 FGADMP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCO2)Cc1ccccc1 ZINC000479962023 502431276 /nfs/dbraw/zinc/43/12/76/502431276.db2.gz ITRKLBCQEQKXBE-UHFFFAOYSA-N 2 1 364.449 3.156 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558509 502431688 /nfs/dbraw/zinc/43/16/88/502431688.db2.gz JIGPKKFTJBXAHI-PWRODBHTSA-N 2 1 357.542 3.086 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761186 502432389 /nfs/dbraw/zinc/43/23/89/502432389.db2.gz DBUMTVPBKXVHML-DOTOQJQBSA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761186 502432396 /nfs/dbraw/zinc/43/23/96/502432396.db2.gz DBUMTVPBKXVHML-DOTOQJQBSA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761186 502432401 /nfs/dbraw/zinc/43/24/01/502432401.db2.gz DBUMTVPBKXVHML-DOTOQJQBSA-N 2 1 364.921 3.260 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000465942617 502434874 /nfs/dbraw/zinc/43/48/74/502434874.db2.gz NJURYCNPTLGFBB-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000487412193 502437729 /nfs/dbraw/zinc/43/77/29/502437729.db2.gz QVLQWBUCFUZDMC-OXQOHEQNSA-N 2 1 369.513 3.223 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000487412193 502437734 /nfs/dbraw/zinc/43/77/34/502437734.db2.gz QVLQWBUCFUZDMC-OXQOHEQNSA-N 2 1 369.513 3.223 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483619205 502444542 /nfs/dbraw/zinc/44/45/42/502444542.db2.gz FIPXIYYSQRXGMS-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000480058079 502459562 /nfs/dbraw/zinc/45/95/62/502459562.db2.gz JMTRJWSOUUQZBX-GOSISDBHSA-N 2 1 353.466 3.217 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000480058079 502459565 /nfs/dbraw/zinc/45/95/65/502459565.db2.gz JMTRJWSOUUQZBX-GOSISDBHSA-N 2 1 353.466 3.217 20 0 FGADMP C[C@H](CCNC(=O)NCCC[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472933869 502475314 /nfs/dbraw/zinc/47/53/14/502475314.db2.gz WXRCRCYUQZLWEH-LJQANCHMSA-N 2 1 360.546 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483753180 502483782 /nfs/dbraw/zinc/48/37/82/502483782.db2.gz YOAQIMOWQNDKTJ-BZSNNMDCSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483753180 502483786 /nfs/dbraw/zinc/48/37/86/502483786.db2.gz YOAQIMOWQNDKTJ-BZSNNMDCSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000483753180 502483791 /nfs/dbraw/zinc/48/37/91/502483791.db2.gz YOAQIMOWQNDKTJ-BZSNNMDCSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@@H](CCNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000472999189 502495054 /nfs/dbraw/zinc/49/50/54/502495054.db2.gz INBCKQRSQGEHEV-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CCNC(=O)NCC[NH+](C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000472999189 502495058 /nfs/dbraw/zinc/49/50/58/502495058.db2.gz INBCKQRSQGEHEV-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CCNC(=O)NCC[NH+](C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472999189 502495065 /nfs/dbraw/zinc/49/50/65/502495065.db2.gz INBCKQRSQGEHEV-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761561 502536488 /nfs/dbraw/zinc/53/64/88/502536488.db2.gz UTPPQYKJOREGPA-WGMWDUQUSA-N 2 1 359.558 3.285 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCCC(C)(C)C ZINC000469761561 502536490 /nfs/dbraw/zinc/53/64/90/502536490.db2.gz UTPPQYKJOREGPA-WGMWDUQUSA-N 2 1 359.558 3.285 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749069 502556686 /nfs/dbraw/zinc/55/66/86/502556686.db2.gz GWKGLJIZUAQGBK-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749069 502556689 /nfs/dbraw/zinc/55/66/89/502556689.db2.gz GWKGLJIZUAQGBK-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749069 502556693 /nfs/dbraw/zinc/55/66/93/502556693.db2.gz GWKGLJIZUAQGBK-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466421345 502566142 /nfs/dbraw/zinc/56/61/42/502566142.db2.gz DGIDSIDAPKSWMG-TZIWHRDSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487925162 502569508 /nfs/dbraw/zinc/56/95/08/502569508.db2.gz VUXPWAJXQAJZFD-MJUUVYJYSA-N 2 1 372.557 3.069 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000462785381 502572338 /nfs/dbraw/zinc/57/23/38/502572338.db2.gz PFMGAWDHKAMFIU-BHIFYINESA-N 2 1 358.526 3.204 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000462785700 502572616 /nfs/dbraw/zinc/57/26/16/502572616.db2.gz RHOKFMNLFJQCCS-BVYCBKJFSA-N 2 1 358.526 3.204 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790804 502574978 /nfs/dbraw/zinc/57/49/78/502574978.db2.gz IYJYTVXHBFJIFE-HSALFYBXSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790804 502574981 /nfs/dbraw/zinc/57/49/81/502574981.db2.gz IYJYTVXHBFJIFE-HSALFYBXSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790802 502575258 /nfs/dbraw/zinc/57/52/58/502575258.db2.gz IYJYTVXHBFJIFE-AABGKKOBSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790802 502575263 /nfs/dbraw/zinc/57/52/63/502575263.db2.gz IYJYTVXHBFJIFE-AABGKKOBSA-N 2 1 374.525 3.325 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000476762186 502580587 /nfs/dbraw/zinc/58/05/87/502580587.db2.gz MURFWNCJQFCKCA-HLLBOEOZSA-N 2 1 351.560 3.414 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484146636 502583354 /nfs/dbraw/zinc/58/33/54/502583354.db2.gz QLMDDXXTIGJFQI-URZJWIJPSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484146636 502583359 /nfs/dbraw/zinc/58/33/59/502583359.db2.gz QLMDDXXTIGJFQI-URZJWIJPSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823674 502588539 /nfs/dbraw/zinc/58/85/39/502588539.db2.gz WGUNHIGXGNYMNO-KAGYGMCKSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823674 502588542 /nfs/dbraw/zinc/58/85/42/502588542.db2.gz WGUNHIGXGNYMNO-KAGYGMCKSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823674 502588545 /nfs/dbraw/zinc/58/85/45/502588545.db2.gz WGUNHIGXGNYMNO-KAGYGMCKSA-N 2 1 369.553 3.278 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523812 502596601 /nfs/dbraw/zinc/59/66/01/502596601.db2.gz AYRCELGLBLXDLV-MMKMLUHNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523812 502596605 /nfs/dbraw/zinc/59/66/05/502596605.db2.gz AYRCELGLBLXDLV-MMKMLUHNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523812 502596611 /nfs/dbraw/zinc/59/66/11/502596611.db2.gz AYRCELGLBLXDLV-MMKMLUHNSA-N 2 1 372.557 3.164 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000480679626 502640608 /nfs/dbraw/zinc/64/06/08/502640608.db2.gz VPYIKTINHZBOTH-JLLPCOHGSA-N 2 1 364.533 3.480 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](CC)CC ZINC000476984715 502641738 /nfs/dbraw/zinc/64/17/38/502641738.db2.gz QUEARGCAAFNVCF-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000484433063 502642330 /nfs/dbraw/zinc/64/23/30/502642330.db2.gz AHQUNCVRDNCIEK-YLJYHZDGSA-N 2 1 372.557 3.212 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173138 502646703 /nfs/dbraw/zinc/64/67/03/502646703.db2.gz BTNLNPRLRZNCLH-JKSUJKDBSA-N 2 1 355.482 3.493 20 0 FGADMP CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1(C)C ZINC000463035505 502669123 /nfs/dbraw/zinc/66/91/23/502669123.db2.gz QRUKPEUTWWXQNY-SFTDATJTSA-N 2 1 359.558 3.116 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000463065655 502681212 /nfs/dbraw/zinc/68/12/12/502681212.db2.gz ZPHGNEBLGXMMNY-PMACEKPBSA-N 2 1 366.594 3.260 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000488329265 502685283 /nfs/dbraw/zinc/68/52/83/502685283.db2.gz WPCUTCQQWOURCV-HXUWFJFHSA-N 2 1 361.505 3.199 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000470161754 502687486 /nfs/dbraw/zinc/68/74/86/502687486.db2.gz XEHQAZGQSRUWJN-MOPGFXCFSA-N 2 1 351.579 3.120 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000484646316 502694675 /nfs/dbraw/zinc/69/46/75/502694675.db2.gz UNXBXRNIEMERII-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000480880877 502696726 /nfs/dbraw/zinc/69/67/26/502696726.db2.gz JOESEIVLOYILPE-UGKGYDQZSA-N 2 1 370.541 3.158 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115222 502699610 /nfs/dbraw/zinc/69/96/10/502699610.db2.gz XEINZEXEAUJLCV-NQIIRXRSSA-N 2 1 354.494 3.200 20 0 FGADMP C[C@@H](c1ccsc1)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000463173215 502711282 /nfs/dbraw/zinc/71/12/82/502711282.db2.gz SAWFFGPCABOVJM-LPHOPBHVSA-N 2 1 361.555 3.360 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000470276381 502721844 /nfs/dbraw/zinc/72/18/44/502721844.db2.gz GCKSRGFVMPHTTP-SFTDATJTSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000470276381 502721850 /nfs/dbraw/zinc/72/18/50/502721850.db2.gz GCKSRGFVMPHTTP-SFTDATJTSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000470276381 502721854 /nfs/dbraw/zinc/72/18/54/502721854.db2.gz GCKSRGFVMPHTTP-SFTDATJTSA-N 2 1 372.557 3.021 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)c1 ZINC000488498440 502732913 /nfs/dbraw/zinc/73/29/13/502732913.db2.gz HAURIDJMSXZNSM-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000488498440 502732914 /nfs/dbraw/zinc/73/29/14/502732914.db2.gz HAURIDJMSXZNSM-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)c1 ZINC000488498440 502732916 /nfs/dbraw/zinc/73/29/16/502732916.db2.gz HAURIDJMSXZNSM-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473873879 502733993 /nfs/dbraw/zinc/73/39/93/502733993.db2.gz HMZSKHWGRIZWFP-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP COC(=O)CCC[NH+]1CCC(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)CC1 ZINC000463248682 502734834 /nfs/dbraw/zinc/73/48/34/502734834.db2.gz WFNXVAMISPBJQZ-UHFFFAOYSA-N 2 1 370.497 3.280 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000477339585 502747695 /nfs/dbraw/zinc/74/76/95/502747695.db2.gz QTEMXKPTDDXOCM-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481163693 502769046 /nfs/dbraw/zinc/76/90/46/502769046.db2.gz AVAGCEWMBVPFRJ-DXIQSLLYSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481163693 502769053 /nfs/dbraw/zinc/76/90/53/502769053.db2.gz AVAGCEWMBVPFRJ-DXIQSLLYSA-N 2 1 365.521 3.364 20 0 FGADMP CCN1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000485040245 502808028 /nfs/dbraw/zinc/80/80/28/502808028.db2.gz ATEKNRGEGQQTJM-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP CC[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000485040245 502808038 /nfs/dbraw/zinc/80/80/38/502808038.db2.gz ATEKNRGEGQQTJM-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCC[NH+]1CCCC1 ZINC000509131525 502829234 /nfs/dbraw/zinc/82/92/34/502829234.db2.gz IWMQGQCUZHGPMX-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495669951 502857431 /nfs/dbraw/zinc/85/74/31/502857431.db2.gz QBNIAXJNDDKVKS-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091565 502877891 /nfs/dbraw/zinc/87/78/91/502877891.db2.gz ZPCAXOVNNBHSCV-RBBKRZOGSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489091565 502877893 /nfs/dbraw/zinc/87/78/93/502877893.db2.gz ZPCAXOVNNBHSCV-RBBKRZOGSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489091565 502877895 /nfs/dbraw/zinc/87/78/95/502877895.db2.gz ZPCAXOVNNBHSCV-RBBKRZOGSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@@H+](CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)C(C)C ZINC000489154252 502889873 /nfs/dbraw/zinc/88/98/73/502889873.db2.gz YDYGWQZYGVRPMD-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019866 502913483 /nfs/dbraw/zinc/91/34/83/502913483.db2.gz AXRMYIQGPQKDNG-QPIRBTGLSA-N 2 1 372.557 3.313 20 0 FGADMP CN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501038835 502918946 /nfs/dbraw/zinc/91/89/46/502918946.db2.gz KOZHUARZXGWKHR-UHFFFAOYSA-N 2 1 358.530 3.021 20 0 FGADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063147 502925377 /nfs/dbraw/zinc/92/53/77/502925377.db2.gz GFZZFNHEBJMCOR-UGKGYDQZSA-N 2 1 359.558 3.494 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489351888 502935419 /nfs/dbraw/zinc/93/54/19/502935419.db2.gz AZJYOGAQJUQNSG-HXUWFJFHSA-N 2 1 359.514 3.364 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccsc1 ZINC000501149875 502949666 /nfs/dbraw/zinc/94/96/66/502949666.db2.gz IFJZANOMJFIRAI-RCCFBDPRSA-N 2 1 364.559 3.057 20 0 FGADMP CC(C)COc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000497492185 502972153 /nfs/dbraw/zinc/97/21/53/502972153.db2.gz GGQJFCWOWPDGOU-CBQGHPETSA-N 2 1 371.569 3.464 20 0 FGADMP CC(C)COc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000497492185 502972157 /nfs/dbraw/zinc/97/21/57/502972157.db2.gz GGQJFCWOWPDGOU-CBQGHPETSA-N 2 1 371.569 3.464 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710549 502973222 /nfs/dbraw/zinc/97/32/22/502973222.db2.gz FINFHZIXKMGYJR-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000509710549 502973226 /nfs/dbraw/zinc/97/32/26/502973226.db2.gz FINFHZIXKMGYJR-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000509710549 502973230 /nfs/dbraw/zinc/97/32/30/502973230.db2.gz FINFHZIXKMGYJR-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000489565474 502987406 /nfs/dbraw/zinc/98/74/06/502987406.db2.gz ZRXOCRZGNQCBPN-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP CCCCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000513644046 502989039 /nfs/dbraw/zinc/98/90/39/502989039.db2.gz ZBJLDSQJOZGRCF-OAQYLSRUSA-N 2 1 359.558 3.467 20 0 FGADMP CCCCOc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000513644046 502989041 /nfs/dbraw/zinc/98/90/41/502989041.db2.gz ZBJLDSQJOZGRCF-OAQYLSRUSA-N 2 1 359.558 3.467 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802212 502989164 /nfs/dbraw/zinc/98/91/64/502989164.db2.gz NXZGUTGGUPTDTC-OAHLLOKOSA-N 2 1 371.978 3.209 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566396 502989934 /nfs/dbraw/zinc/98/99/34/502989934.db2.gz RRKZEYNWRDWOJQ-FQEVSTJZSA-N 2 1 364.578 3.205 20 0 FGADMP CC(C)Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608297 502998927 /nfs/dbraw/zinc/99/89/27/502998927.db2.gz DCMXNMGWGNUQAX-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000513696702 503002700 /nfs/dbraw/zinc/00/27/00/503002700.db2.gz CIBVZYDZFOFBSJ-HXUWFJFHSA-N 2 1 357.542 3.002 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000489658487 503005907 /nfs/dbraw/zinc/00/59/07/503005907.db2.gz JTKRIRCFXIFFQP-UHFFFAOYSA-N 2 1 359.558 3.383 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(c3cc(C)cc[nH+]3)CC2)cc1 ZINC000513807349 503026898 /nfs/dbraw/zinc/02/68/98/503026898.db2.gz ZUSAPJYSBXIMHK-UHFFFAOYSA-N 2 1 366.509 3.194 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000489793515 503036239 /nfs/dbraw/zinc/03/62/39/503036239.db2.gz CUNBAJZQDVGERC-VQTJNVASSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1cccs1 ZINC000501575438 503042425 /nfs/dbraw/zinc/04/24/25/503042425.db2.gz OCGONHMORCQNRY-KRWDZBQOSA-N 2 1 366.575 3.305 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCCCC1 ZINC000513932033 503051419 /nfs/dbraw/zinc/05/14/19/503051419.db2.gz QVWANVPAMPZXFE-OAQYLSRUSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197523 503110766 /nfs/dbraw/zinc/11/07/66/503110766.db2.gz ORFSNDJFSIKGQF-UYAOXDASSA-N 2 1 372.557 3.386 20 0 FGADMP CCN(C)[C@@H](C(=O)NCc1cccc(Cn2ccnc2)c1)c1ccccc1 ZINC000490157276 503119394 /nfs/dbraw/zinc/11/93/94/503119394.db2.gz ZWLJIULFJTVIDZ-OAQYLSRUSA-N 2 1 362.477 3.241 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471227 503121687 /nfs/dbraw/zinc/12/16/87/503121687.db2.gz CUJSQGBLJRTQRQ-TXVWBRJLSA-N 2 1 363.590 3.466 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000514244797 503124118 /nfs/dbraw/zinc/12/41/18/503124118.db2.gz NFSGQVGFMDEFQL-XCJLJZCSSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000514244797 503124123 /nfs/dbraw/zinc/12/41/23/503124123.db2.gz NFSGQVGFMDEFQL-XCJLJZCSSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000514244797 503124129 /nfs/dbraw/zinc/12/41/29/503124129.db2.gz NFSGQVGFMDEFQL-XCJLJZCSSA-N 2 1 372.557 3.384 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(Cn2ccnc2)c1 ZINC000502050888 503133843 /nfs/dbraw/zinc/13/38/43/503133843.db2.gz PMZZSOOGAFWHQM-HXUWFJFHSA-N 2 1 354.498 3.172 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)CC1 ZINC000514738232 503181304 /nfs/dbraw/zinc/18/13/04/503181304.db2.gz WMWRZNZOKBVVST-UHFFFAOYSA-N 2 1 359.514 3.414 20 0 FGADMP C[C@@H]1C[C@@H](N[C@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000502342268 503183475 /nfs/dbraw/zinc/18/34/75/503183475.db2.gz BDHJEASOXVXJIF-HSMVNMDESA-N 2 1 351.288 3.488 20 0 FGADMP C[C@@H]1C[C@@H](N[C@H]2CCOc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000502342268 503183478 /nfs/dbraw/zinc/18/34/78/503183478.db2.gz BDHJEASOXVXJIF-HSMVNMDESA-N 2 1 351.288 3.488 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000511019776 503236558 /nfs/dbraw/zinc/23/65/58/503236558.db2.gz WBPXJCNVRBWDDQ-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000502896557 503302444 /nfs/dbraw/zinc/30/24/44/503302444.db2.gz VNHLLXWFKZCXOJ-IBGZPJMESA-N 2 1 366.594 3.452 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000507486195 503307234 /nfs/dbraw/zinc/30/72/34/503307234.db2.gz OCVOZCVSGXYNSZ-QGZVFWFLSA-N 2 1 353.510 3.452 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1C ZINC000499028496 503317200 /nfs/dbraw/zinc/31/72/00/503317200.db2.gz OBLDBZCUKBYLAN-UVHRUJRTSA-N 2 1 364.578 3.154 20 0 FGADMP CC[N@H+](CCOc1ccc(Br)cc1)CCn1cc[nH+]c1C ZINC000499058791 503323712 /nfs/dbraw/zinc/32/37/12/503323712.db2.gz ZAXXRKSVCKLMJO-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP CC[N@@H+](CCOc1ccc(Br)cc1)CCn1cc[nH+]c1C ZINC000499058791 503323714 /nfs/dbraw/zinc/32/37/14/503323714.db2.gz ZAXXRKSVCKLMJO-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP Cc1cccc(C[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC(C)C)c1 ZINC000507730516 503356830 /nfs/dbraw/zinc/35/68/30/503356830.db2.gz FNXCSACGCQKVOC-UHFFFAOYSA-N 2 1 367.541 3.195 20 0 FGADMP Cc1cccc(C[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC(C)C)c1 ZINC000507730516 503356832 /nfs/dbraw/zinc/35/68/32/503356832.db2.gz FNXCSACGCQKVOC-UHFFFAOYSA-N 2 1 367.541 3.195 20 0 FGADMP CC[C@H]1C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507814998 503372229 /nfs/dbraw/zinc/37/22/29/503372229.db2.gz NQNFTAJGMQUNLC-IRLDBZIGSA-N 2 1 365.606 3.320 20 0 FGADMP CC[C@H]1C[C@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507814998 503372232 /nfs/dbraw/zinc/37/22/32/503372232.db2.gz NQNFTAJGMQUNLC-IRLDBZIGSA-N 3 1 365.606 3.320 20 0 FGADMP CC[C@H]1C[C@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507814998 503372234 /nfs/dbraw/zinc/37/22/34/503372234.db2.gz NQNFTAJGMQUNLC-IRLDBZIGSA-N 3 1 365.606 3.320 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccc(O)c3Cl)CC2)C[C@@H](C)O1 ZINC000507833866 503376382 /nfs/dbraw/zinc/37/63/82/503376382.db2.gz PFILJPVBHZDPCA-HUUCEWRRSA-N 2 1 352.906 3.367 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000507853099 503380451 /nfs/dbraw/zinc/38/04/51/503380451.db2.gz SPYLFPUOIBCGMB-LJQANCHMSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000507853099 503380453 /nfs/dbraw/zinc/38/04/53/503380453.db2.gz SPYLFPUOIBCGMB-LJQANCHMSA-N 2 1 361.505 3.028 20 0 FGADMP CC(C)c1[nH+]c(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c2ccccn21 ZINC000515657594 503380979 /nfs/dbraw/zinc/38/09/79/503380979.db2.gz ADQMBLFIIUYVFG-KRWDZBQOSA-N 2 1 356.514 3.048 20 0 FGADMP CN(C[C@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922964 503420599 /nfs/dbraw/zinc/42/05/99/503420599.db2.gz VTVXCVOCUCUYLJ-NVXWUHKLSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922964 503420602 /nfs/dbraw/zinc/42/06/02/503420602.db2.gz VTVXCVOCUCUYLJ-NVXWUHKLSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922964 503420604 /nfs/dbraw/zinc/42/06/04/503420604.db2.gz VTVXCVOCUCUYLJ-NVXWUHKLSA-N 2 1 358.404 3.081 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000503520355 503427473 /nfs/dbraw/zinc/42/74/73/503427473.db2.gz DLHWEWHTSZXNFR-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000503520355 503427475 /nfs/dbraw/zinc/42/74/75/503427475.db2.gz DLHWEWHTSZXNFR-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP C[C@H](NCc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511990223 503430450 /nfs/dbraw/zinc/43/04/50/503430450.db2.gz OAKFWIBYMPEAMG-FUHWJXTLSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@H](NCc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511990223 503430452 /nfs/dbraw/zinc/43/04/52/503430452.db2.gz OAKFWIBYMPEAMG-FUHWJXTLSA-N 2 1 358.555 3.205 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CC2)c2cccs2)CC1 ZINC000493676758 503439056 /nfs/dbraw/zinc/43/90/56/503439056.db2.gz IZIXYUZHTPXUCP-MSOLQXFVSA-N 2 1 361.555 3.264 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000503686490 503459295 /nfs/dbraw/zinc/45/92/95/503459295.db2.gz AVXGGCVFUCYQAK-SFHVURJKSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731051 503466343 /nfs/dbraw/zinc/46/63/43/503466343.db2.gz UAMLFGNCXKWVIO-MJGOQNOKSA-N 2 1 372.557 3.432 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000516209490 503471416 /nfs/dbraw/zinc/47/14/16/503471416.db2.gz VXRPPFQFVAEUGC-UHFFFAOYSA-N 2 1 364.371 3.105 20 0 FGADMP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182628 503479159 /nfs/dbraw/zinc/47/91/59/503479159.db2.gz FLJJRJJQOIAFOQ-DYESRHJHSA-N 2 1 355.526 3.203 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000608011728 506374628 /nfs/dbraw/zinc/37/46/28/506374628.db2.gz AUSUQFKBSQJLDM-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C)C(C)C ZINC000503981322 503503638 /nfs/dbraw/zinc/50/36/38/503503638.db2.gz IMXMHOKIDLLYKL-LJQANCHMSA-N 2 1 354.583 3.401 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441922 503512822 /nfs/dbraw/zinc/51/28/22/503512822.db2.gz HGTAHUJECYYYJL-DOMZBBRYSA-N 2 1 350.304 3.403 20 0 FGADMP CC(C)[C@@](C)([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515469 503525150 /nfs/dbraw/zinc/52/51/50/503525150.db2.gz SYMCWQICEFYXIE-QZTJIDSGSA-N 2 1 369.347 3.365 20 0 FGADMP CC(C)[C@@](C)([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515469 503525160 /nfs/dbraw/zinc/52/51/60/503525160.db2.gz SYMCWQICEFYXIE-QZTJIDSGSA-N 2 1 369.347 3.365 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582080 503542473 /nfs/dbraw/zinc/54/24/73/503542473.db2.gz QRWFNDIBVGGVRM-SBHAEUEKSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416603 503543866 /nfs/dbraw/zinc/54/38/66/503543866.db2.gz ANHZPRKFLAZTNC-PZJWPPBQSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699860 503546331 /nfs/dbraw/zinc/54/63/31/503546331.db2.gz SBFQBXURBNAMSH-FQOCKNPQSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702259 503546733 /nfs/dbraw/zinc/54/67/33/503546733.db2.gz VZWYJLQFLBFPFO-MDNUFGMLSA-N 2 1 373.585 3.234 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000508849433 503577025 /nfs/dbraw/zinc/57/70/25/503577025.db2.gz BTTUVBLZRJOGQG-KVPLUYHFSA-N 2 1 360.546 3.192 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578763 503589076 /nfs/dbraw/zinc/58/90/76/503589076.db2.gz RYUAGXGJRYBKOP-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578763 503589078 /nfs/dbraw/zinc/58/90/78/503589078.db2.gz RYUAGXGJRYBKOP-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578763 503589079 /nfs/dbraw/zinc/58/90/79/503589079.db2.gz RYUAGXGJRYBKOP-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCNc4ccccn4)[C@@H]3C2)cc1 ZINC000512627103 503598382 /nfs/dbraw/zinc/59/83/82/503598382.db2.gz ZYZGYGBMCSTVBA-HBMCJLEFSA-N 2 1 350.510 3.384 20 0 FGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000512640992 503601764 /nfs/dbraw/zinc/60/17/64/503601764.db2.gz CEDDINIBMKUAIA-BQJUDKOJSA-N 2 1 350.510 3.157 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000512646818 503602546 /nfs/dbraw/zinc/60/25/46/503602546.db2.gz DIYVRGYLVQLGEB-QHAWAJNXSA-N 2 1 351.494 3.481 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667858 503608193 /nfs/dbraw/zinc/60/81/93/503608193.db2.gz RJCMBVPKVKZKLG-SVFBPWRDSA-N 2 1 369.484 3.490 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927836 503621753 /nfs/dbraw/zinc/62/17/53/503621753.db2.gz HSNJMWSQDPSYMJ-WTOYTKOKSA-N 2 1 369.553 3.064 20 0 FGADMP CSc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000517025446 503646503 /nfs/dbraw/zinc/64/65/03/503646503.db2.gz SNTUURXGESPZRD-QZTJIDSGSA-N 2 1 366.571 3.106 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202775 503671840 /nfs/dbraw/zinc/67/18/40/503671840.db2.gz XPENNMCTDSGCLE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202775 503671847 /nfs/dbraw/zinc/67/18/47/503671847.db2.gz XPENNMCTDSGCLE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202775 503671850 /nfs/dbraw/zinc/67/18/50/503671850.db2.gz XPENNMCTDSGCLE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccc(C(N)=O)c3)C2)s1 ZINC000517202775 503671857 /nfs/dbraw/zinc/67/18/57/503671857.db2.gz XPENNMCTDSGCLE-QGZVFWFLSA-N 2 1 357.523 3.109 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122871 503675654 /nfs/dbraw/zinc/67/56/54/503675654.db2.gz TVWFJJOFKDFMLT-UYAOXDASSA-N 2 1 357.542 3.450 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697223 503686761 /nfs/dbraw/zinc/68/67/61/503686761.db2.gz GXNDHBFULOWXEC-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697223 503686763 /nfs/dbraw/zinc/68/67/63/503686763.db2.gz GXNDHBFULOWXEC-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697223 503686768 /nfs/dbraw/zinc/68/67/68/503686768.db2.gz GXNDHBFULOWXEC-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697223 503686771 /nfs/dbraw/zinc/68/67/71/503686771.db2.gz GXNDHBFULOWXEC-CQSZACIVSA-N 2 1 360.454 3.002 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@@H]2C2CC2)c1 ZINC000540258646 503726850 /nfs/dbraw/zinc/72/68/50/503726850.db2.gz IUCMXEBGSVQPSS-RTWAWAEBSA-N 2 1 371.525 3.016 20 0 FGADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000517387786 503731798 /nfs/dbraw/zinc/73/17/98/503731798.db2.gz OGTNBXUMLNSNOK-QRWLVFNGSA-N 2 1 373.472 3.041 20 0 FGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300944 503732096 /nfs/dbraw/zinc/73/20/96/503732096.db2.gz FIWWBDMTYBKZON-QFBILLFUSA-N 2 1 361.486 3.057 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000536846549 503737941 /nfs/dbraw/zinc/73/79/41/503737941.db2.gz PORUJNRALZZJIR-QHAWAJNXSA-N 2 1 358.526 3.485 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000536851195 503740592 /nfs/dbraw/zinc/74/05/92/503740592.db2.gz JHGALQLOLWOILY-MJGOQNOKSA-N 2 1 365.468 3.089 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(-n4ccnc4)cs3)CC2)C[C@H](C)O1 ZINC000543394337 503751408 /nfs/dbraw/zinc/75/14/08/503751408.db2.gz IRXQUERYJMJXMB-CALCHBBNSA-N 2 1 374.554 3.255 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@H](C)O1 ZINC000536934850 503766125 /nfs/dbraw/zinc/76/61/25/503766125.db2.gz BUZRCAYADXCKSQ-IRXDYDNUSA-N 2 1 366.933 3.430 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCC3)cc1 ZINC000546575400 503792925 /nfs/dbraw/zinc/79/29/25/503792925.db2.gz PXSUMGNLFWNLNV-OXQOHEQNSA-N 2 1 357.523 3.152 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCC3)cc1 ZINC000546575400 503792928 /nfs/dbraw/zinc/79/29/28/503792928.db2.gz PXSUMGNLFWNLNV-OXQOHEQNSA-N 2 1 357.523 3.152 20 0 FGADMP CC(C)Cc1ccc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000517653888 503798632 /nfs/dbraw/zinc/79/86/32/503798632.db2.gz XWDKZRQZYDPEMK-UHFFFAOYSA-N 2 1 366.509 3.213 20 0 FGADMP CC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000530026344 503800706 /nfs/dbraw/zinc/80/07/06/503800706.db2.gz IMVASQGUMOQHQC-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118641 503808091 /nfs/dbraw/zinc/80/80/91/503808091.db2.gz WNEFAFNNWRLOPJ-TZIWHRDSSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118641 503808093 /nfs/dbraw/zinc/80/80/93/503808093.db2.gz WNEFAFNNWRLOPJ-TZIWHRDSSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1)C[C@H]1CCCCO1 ZINC000537118641 503808094 /nfs/dbraw/zinc/80/80/94/503808094.db2.gz WNEFAFNNWRLOPJ-TZIWHRDSSA-N 2 1 373.541 3.356 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc3c(c2)C(=O)NCC3)cc1 ZINC000543596214 503823548 /nfs/dbraw/zinc/82/35/48/503823548.db2.gz UBTXLBSKVKFBQF-OAHLLOKOSA-N 2 1 360.461 3.317 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194837 503835843 /nfs/dbraw/zinc/83/58/43/503835843.db2.gz LBBTZHRRCPBFMO-NHCUHLMSSA-N 2 1 357.542 3.485 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000517814461 503845230 /nfs/dbraw/zinc/84/52/30/503845230.db2.gz QEYCEIUCEIIXLY-ICSRJNTNSA-N 2 1 361.530 3.352 20 0 FGADMP COc1cccc([C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+](C)C)c1 ZINC000546723007 503852542 /nfs/dbraw/zinc/85/25/42/503852542.db2.gz HMZIJBUYMHIODF-HXUWFJFHSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000543713760 503863284 /nfs/dbraw/zinc/86/32/84/503863284.db2.gz UTBKTEZWQLGFAU-ICSRJNTNSA-N 2 1 366.509 3.077 20 0 FGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000530216434 503880481 /nfs/dbraw/zinc/88/04/81/503880481.db2.gz BKYYNXWEDPUAGO-YADHBBJMSA-N 2 1 371.500 3.423 20 0 FGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000530216434 503880493 /nfs/dbraw/zinc/88/04/93/503880493.db2.gz BKYYNXWEDPUAGO-YADHBBJMSA-N 2 1 371.500 3.423 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(CO)ccc1F ZINC000530217872 503881203 /nfs/dbraw/zinc/88/12/03/503881203.db2.gz IOTHOGUHAKHVOE-UGKGYDQZSA-N 2 1 356.485 3.490 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539583 503881811 /nfs/dbraw/zinc/88/18/11/503881811.db2.gz INLQUBAOVUUBLJ-BHIYHBOVSA-N 2 1 352.906 3.292 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345395 503884596 /nfs/dbraw/zinc/88/45/96/503884596.db2.gz ZGOQDZUJNKUXDR-PXNSSMCTSA-N 2 1 357.498 3.307 20 0 FGADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530237024 503887259 /nfs/dbraw/zinc/88/72/59/503887259.db2.gz BDLSJGYODWLAID-UWJYYQICSA-N 2 1 373.541 3.229 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC000530336531 503929656 /nfs/dbraw/zinc/92/96/56/503929656.db2.gz CVSFWOKMVFJKPB-YOEHRIQHSA-N 2 1 368.905 3.295 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@@H](C)C1 ZINC000530336531 503929660 /nfs/dbraw/zinc/92/96/60/503929660.db2.gz CVSFWOKMVFJKPB-YOEHRIQHSA-N 2 1 368.905 3.295 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000537649139 503991923 /nfs/dbraw/zinc/99/19/23/503991923.db2.gz GKZRKZRYDHVNDV-IBGZPJMESA-N 2 1 357.498 3.176 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(C)nc3ccccc32)C1 ZINC000530639461 504034970 /nfs/dbraw/zinc/03/49/70/504034970.db2.gz VHFJVPQWEKZBDS-KRWDZBQOSA-N 2 1 356.514 3.362 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000528112366 504077056 /nfs/dbraw/zinc/07/70/56/504077056.db2.gz FZEHVGFUILKWKU-KCZVDYSFSA-N 2 1 369.553 3.135 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000528112366 504077059 /nfs/dbraw/zinc/07/70/59/504077059.db2.gz FZEHVGFUILKWKU-KCZVDYSFSA-N 2 1 369.553 3.135 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000528112366 504077065 /nfs/dbraw/zinc/07/70/65/504077065.db2.gz FZEHVGFUILKWKU-KCZVDYSFSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000530769843 504082587 /nfs/dbraw/zinc/08/25/87/504082587.db2.gz WGGWNXCFNZNIAT-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000530769843 504082590 /nfs/dbraw/zinc/08/25/90/504082590.db2.gz WGGWNXCFNZNIAT-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000530769843 504082593 /nfs/dbraw/zinc/08/25/93/504082593.db2.gz WGGWNXCFNZNIAT-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937259 504088675 /nfs/dbraw/zinc/08/86/75/504088675.db2.gz DBQWDEVDCPUUPV-XUJVJEKNSA-N 2 1 369.303 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937259 504088680 /nfs/dbraw/zinc/08/86/80/504088680.db2.gz DBQWDEVDCPUUPV-XUJVJEKNSA-N 2 1 369.303 3.039 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000537960325 504095389 /nfs/dbraw/zinc/09/53/89/504095389.db2.gz QWIJYEZKRIBPPL-NQSCKRDGSA-N 2 1 366.505 3.499 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000537960325 504095394 /nfs/dbraw/zinc/09/53/94/504095394.db2.gz QWIJYEZKRIBPPL-NQSCKRDGSA-N 2 1 366.505 3.499 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000544361219 504102087 /nfs/dbraw/zinc/10/20/87/504102087.db2.gz UZOLHRKPAQUPGT-BZSNNMDCSA-N 2 1 362.514 3.257 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2cccc(Cl)c2)[C@H](C)C1 ZINC000537991759 504104317 /nfs/dbraw/zinc/10/43/17/504104317.db2.gz SUDZQKHCVFZFJR-VQIMIIECSA-N 2 1 354.922 3.445 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863885 504111085 /nfs/dbraw/zinc/11/10/85/504111085.db2.gz NEAMWBIPNNOFBF-DENIHFKCSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863885 504111090 /nfs/dbraw/zinc/11/10/90/504111090.db2.gz NEAMWBIPNNOFBF-DENIHFKCSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863885 504111096 /nfs/dbraw/zinc/11/10/96/504111096.db2.gz NEAMWBIPNNOFBF-DENIHFKCSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863885 504111102 /nfs/dbraw/zinc/11/11/02/504111102.db2.gz NEAMWBIPNNOFBF-DENIHFKCSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000519036350 504123910 /nfs/dbraw/zinc/12/39/10/504123910.db2.gz VLSSHRZYGGIJLB-SFHVURJKSA-N 2 1 370.324 3.198 20 0 FGADMP C[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000538047113 504124261 /nfs/dbraw/zinc/12/42/61/504124261.db2.gz PBHVILDLYNNSDP-VAMGGRTRSA-N 2 1 360.542 3.380 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2ccccc21 ZINC000530951053 504141272 /nfs/dbraw/zinc/14/12/72/504141272.db2.gz JOHYTCYSMGPBJL-UHFFFAOYSA-N 2 1 367.541 3.262 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCO[C@H](C)C3)cc2)C[C@H]1C ZINC000538196792 504158422 /nfs/dbraw/zinc/15/84/22/504158422.db2.gz ALLGUYLADBIEJQ-HDAAZOAOSA-N 2 1 360.542 3.353 20 0 FGADMP CS(=O)(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000538204967 504161321 /nfs/dbraw/zinc/16/13/21/504161321.db2.gz SKPHUYHZFOSBSK-UXHICEINSA-N 2 1 364.555 3.118 20 0 FGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)Cn3c[nH+]cc3C)ccc21 ZINC000528320794 504168010 /nfs/dbraw/zinc/16/80/10/504168010.db2.gz BQTPKQBKMYEHNF-UHFFFAOYSA-N 2 1 353.470 3.127 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534447 504168172 /nfs/dbraw/zinc/16/81/72/504168172.db2.gz QBKQGHIORJOKGR-WMZOPIPTSA-N 2 1 369.513 3.093 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1F ZINC000528335178 504175372 /nfs/dbraw/zinc/17/53/72/504175372.db2.gz NALRJKJFAHYUSP-CQSZACIVSA-N 2 1 371.447 3.251 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000544597035 504186077 /nfs/dbraw/zinc/18/60/77/504186077.db2.gz JIJDHYFPXQSGRT-UHFFFAOYSA-N 2 1 365.521 3.220 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1ccc2c(c1)C(=O)NCC2 ZINC000544597035 504186080 /nfs/dbraw/zinc/18/60/80/504186080.db2.gz JIJDHYFPXQSGRT-UHFFFAOYSA-N 2 1 365.521 3.220 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C/C=C\c2ccc(F)cc2)CC1 ZINC000531100162 504189028 /nfs/dbraw/zinc/18/90/28/504189028.db2.gz RCVYJZRHCVRBHL-IHWYPQMZSA-N 2 1 354.429 3.015 20 0 FGADMP Cc1ccc([C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+]2CCCC2)o1 ZINC000544677832 504213529 /nfs/dbraw/zinc/21/35/29/504213529.db2.gz ZGIULVUTUXYOLL-QGZVFWFLSA-N 2 1 355.486 3.039 20 0 FGADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406627 504237722 /nfs/dbraw/zinc/23/77/22/504237722.db2.gz MVKSZXRODCAMEC-MRXNPFEDSA-N 2 1 362.539 3.315 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000531246351 504241671 /nfs/dbraw/zinc/24/16/71/504241671.db2.gz QBXPCVGZZPYFAB-OALUTQOASA-N 2 1 360.546 3.023 20 0 FGADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539643 504245818 /nfs/dbraw/zinc/24/58/18/504245818.db2.gz CHXRJOLDUYRIHY-MJGOQNOKSA-N 2 1 369.534 3.482 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000541980122 504321271 /nfs/dbraw/zinc/32/12/71/504321271.db2.gz CCDQVUDYRCDIFQ-INIZCTEOSA-N 2 1 352.276 3.057 20 0 FGADMP CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824395 504354782 /nfs/dbraw/zinc/35/47/82/504354782.db2.gz HMODKPIYKSBHSX-POZUXBRTSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(CC[NH+]3CCC(C)CC3)c2)C1 ZINC000538773415 504364681 /nfs/dbraw/zinc/36/46/81/504364681.db2.gz NHBHLQSLMRKFQK-FQEVSTJZSA-N 2 1 372.557 3.424 20 0 FGADMP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1C ZINC000538773395 504364722 /nfs/dbraw/zinc/36/47/22/504364722.db2.gz MSBVVJQCPCJMGM-HXUWFJFHSA-N 2 1 360.546 3.437 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000538782659 504369458 /nfs/dbraw/zinc/36/94/58/504369458.db2.gz XQZXQSZTKKRFRX-INIZCTEOSA-N 2 1 358.885 3.291 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000542141776 504379026 /nfs/dbraw/zinc/37/90/26/504379026.db2.gz SYIRDCNZZGCPJJ-AWEZNQCLSA-N 2 1 370.335 3.486 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000519937781 504388686 /nfs/dbraw/zinc/38/86/86/504388686.db2.gz PVKUMEIEZYLLFW-GCJKJVERSA-N 2 1 374.573 3.448 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531676881 504389748 /nfs/dbraw/zinc/38/97/48/504389748.db2.gz GXIGJSJRVZAGHB-LPHOPBHVSA-N 2 1 359.539 3.396 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@H+]1C ZINC000542185189 504396739 /nfs/dbraw/zinc/39/67/39/504396739.db2.gz IQFXQFVTRBOXCU-BWKHYTDRSA-N 2 1 369.553 3.230 20 0 FGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000545239935 504411013 /nfs/dbraw/zinc/41/10/13/504411013.db2.gz WTCZFCCTGAPIOO-OAQYLSRUSA-N 2 1 359.558 3.466 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cnc(C3CC3)s2)c2cccs2)CC1 ZINC000531885537 504459694 /nfs/dbraw/zinc/45/96/94/504459694.db2.gz PQEKACIPJVKPJL-INIZCTEOSA-N 2 1 362.568 3.160 20 0 FGADMP Brc1c[nH+]ccc1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000548481525 504461505 /nfs/dbraw/zinc/46/15/05/504461505.db2.gz FMHBTBHAOUNUOF-UHFFFAOYSA-N 2 1 360.299 3.385 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCN(Cc4ccccc4)C3=O)CC2)C1 ZINC000539088900 504469511 /nfs/dbraw/zinc/46/95/11/504469511.db2.gz CIRLNYRJQNEZOH-QIJUGHKUSA-N 2 1 369.553 3.420 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1)CC(C)C ZINC000539098522 504471910 /nfs/dbraw/zinc/47/19/10/504471910.db2.gz SJDONRJDSDRNSD-FQEVSTJZSA-N 2 1 363.521 3.432 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1)CC(C)C ZINC000539098522 504471912 /nfs/dbraw/zinc/47/19/12/504471912.db2.gz SJDONRJDSDRNSD-FQEVSTJZSA-N 2 1 363.521 3.432 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1)CC(C)C ZINC000539135551 504483673 /nfs/dbraw/zinc/48/36/73/504483673.db2.gz YIXHNPXZEAQVEF-SFHVURJKSA-N 2 1 369.619 3.030 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H](C)[NH+]2CCSCC2)CC1)CC(C)C ZINC000539135551 504483676 /nfs/dbraw/zinc/48/36/76/504483676.db2.gz YIXHNPXZEAQVEF-SFHVURJKSA-N 2 1 369.619 3.030 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624253 504488452 /nfs/dbraw/zinc/48/84/52/504488452.db2.gz LQAJWKDZEDOLDQ-CTNGQTDRSA-N 2 1 357.542 3.364 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000542450576 504494425 /nfs/dbraw/zinc/49/44/25/504494425.db2.gz FFARWJVFCIYKAB-FQEVSTJZSA-N 2 1 372.557 3.087 20 0 FGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250610 504512527 /nfs/dbraw/zinc/51/25/27/504512527.db2.gz AMBOLZJQYOLYOX-AZUAARDMSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnn(C)c1 ZINC000539294736 504522289 /nfs/dbraw/zinc/52/22/89/504522289.db2.gz FKWPGFMLKNBAQG-CEXWTWQISA-N 2 1 370.541 3.280 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000535818663 504554319 /nfs/dbraw/zinc/55/43/19/504554319.db2.gz HTXZPIUJHWNVLH-BGYRXZFFSA-N 2 1 359.558 3.466 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000535818663 504554320 /nfs/dbraw/zinc/55/43/20/504554320.db2.gz HTXZPIUJHWNVLH-BGYRXZFFSA-N 2 1 359.558 3.466 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000520756146 504574636 /nfs/dbraw/zinc/57/46/36/504574636.db2.gz FCUMQOPHXSNHJR-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CCCC2)CC1 ZINC000539495514 504589969 /nfs/dbraw/zinc/58/99/69/504589969.db2.gz VEQVDRMADNDTFK-QRVBRYPASA-N 2 1 350.547 3.203 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000520892812 504605257 /nfs/dbraw/zinc/60/52/57/504605257.db2.gz OIDVQGCRFAFZQG-MSOLQXFVSA-N 2 1 364.534 3.226 20 0 FGADMP CN(CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786723 504610676 /nfs/dbraw/zinc/61/06/76/504610676.db2.gz PZXOXJYLFLRHLO-OXJNMPFZSA-N 2 1 372.538 3.169 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539742298 504671971 /nfs/dbraw/zinc/67/19/71/504671971.db2.gz WXRLNMHDZCRUHW-UTKZUKDTSA-N 2 1 366.509 3.159 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539742298 504671976 /nfs/dbraw/zinc/67/19/76/504671976.db2.gz WXRLNMHDZCRUHW-UTKZUKDTSA-N 2 1 366.509 3.159 20 0 FGADMP C[C@H](c1ccco1)N(C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000521198830 504675982 /nfs/dbraw/zinc/67/59/82/504675982.db2.gz GFIKOMLPUUMVBD-QZTJIDSGSA-N 2 1 355.482 3.178 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000529482769 504692928 /nfs/dbraw/zinc/69/29/28/504692928.db2.gz OGVZCPZSHLUIKD-YPAWHYETSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000529482769 504692931 /nfs/dbraw/zinc/69/29/31/504692931.db2.gz OGVZCPZSHLUIKD-YPAWHYETSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000529482769 504692939 /nfs/dbraw/zinc/69/29/39/504692939.db2.gz OGVZCPZSHLUIKD-YPAWHYETSA-N 2 1 371.569 3.383 20 0 FGADMP Cc1ncsc1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000539822509 504704446 /nfs/dbraw/zinc/70/44/46/504704446.db2.gz HCFPQVSDQKWUDE-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP CCOC(=O)CCN[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000549164274 504708088 /nfs/dbraw/zinc/70/80/88/504708088.db2.gz CNFPQKLGEANAQX-LEWJYISDSA-N 2 1 352.478 3.197 20 0 FGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549171663 504711473 /nfs/dbraw/zinc/71/14/73/504711473.db2.gz FAEQUXHPNZUJGW-AEFFLSMTSA-N 2 1 355.885 3.072 20 0 FGADMP O=C(C[NH+]1C2CCC1CC2)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536379155 504716875 /nfs/dbraw/zinc/71/68/75/504716875.db2.gz RUSNCMDBQAUKDM-RJYAGPCLSA-N 2 1 361.917 3.220 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529535594 504719871 /nfs/dbraw/zinc/71/98/71/504719871.db2.gz YNESJEQGSIREPI-MRXNPFEDSA-N 2 1 351.485 3.348 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236041 504733776 /nfs/dbraw/zinc/73/37/76/504733776.db2.gz VFRHGIXKXWNWPT-PVSGBFIBSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236041 504733779 /nfs/dbraw/zinc/73/37/79/504733779.db2.gz VFRHGIXKXWNWPT-PVSGBFIBSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000521509781 504750283 /nfs/dbraw/zinc/75/02/83/504750283.db2.gz ZZWGXIPUNYDZFO-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000521605354 504763288 /nfs/dbraw/zinc/76/32/88/504763288.db2.gz LJIKAKSQVCAGHE-QZTJIDSGSA-N 2 1 360.546 3.200 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556050925 504786750 /nfs/dbraw/zinc/78/67/50/504786750.db2.gz QNENBUMGKXGHCK-VQTJNVASSA-N 2 1 352.478 3.425 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@@H]1c1ccccc1 ZINC000556050925 504786752 /nfs/dbraw/zinc/78/67/52/504786752.db2.gz QNENBUMGKXGHCK-VQTJNVASSA-N 2 1 352.478 3.425 20 0 FGADMP COCC[N@H+](CCCc1c[nH+]cn1C)Cc1cc(Br)cs1 ZINC000565163877 504813321 /nfs/dbraw/zinc/81/33/21/504813321.db2.gz LLPCJWMFGGQELV-UHFFFAOYSA-N 2 1 372.332 3.325 20 0 FGADMP COCC[N@@H+](CCCc1c[nH+]cn1C)Cc1cc(Br)cs1 ZINC000565163877 504813325 /nfs/dbraw/zinc/81/33/25/504813325.db2.gz LLPCJWMFGGQELV-UHFFFAOYSA-N 2 1 372.332 3.325 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4C[C@@H]5CC3C[C@H](C4)C5)CC2)CC1 ZINC000565176593 504817648 /nfs/dbraw/zinc/81/76/48/504817648.db2.gz GSUAJQNXWGYWNE-JREAUHRESA-N 2 1 373.585 3.220 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4cc(C)ccc43)CC2)CC1 ZINC000565179163 504818192 /nfs/dbraw/zinc/81/81/92/504818192.db2.gz GZGGYVKERVAWID-JOCHJYFZSA-N 2 1 369.553 3.295 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231932 504823954 /nfs/dbraw/zinc/82/39/54/504823954.db2.gz GLDZMFIMNWSBRJ-AZUAARDMSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231932 504823955 /nfs/dbraw/zinc/82/39/55/504823955.db2.gz GLDZMFIMNWSBRJ-AZUAARDMSA-N 2 1 366.509 3.056 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000556234067 504824710 /nfs/dbraw/zinc/82/47/10/504824710.db2.gz ULBDCTFLYCSEFW-MAUKXSAKSA-N 2 1 373.463 3.370 20 0 FGADMP Cc1cnccc1CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000565304853 504849166 /nfs/dbraw/zinc/84/91/66/504849166.db2.gz RJMBLMFFPGSPHK-UHFFFAOYSA-N 3 1 358.574 3.061 20 0 FGADMP Cc1cnccc1CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000565304853 504849169 /nfs/dbraw/zinc/84/91/69/504849169.db2.gz RJMBLMFFPGSPHK-UHFFFAOYSA-N 3 1 358.574 3.061 20 0 FGADMP Cc1cnccc1CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000565304853 504849172 /nfs/dbraw/zinc/84/91/72/504849172.db2.gz RJMBLMFFPGSPHK-UHFFFAOYSA-N 3 1 358.574 3.061 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572744 504864240 /nfs/dbraw/zinc/86/42/40/504864240.db2.gz QITASWVFKWRAQI-QUCCMNQESA-N 2 1 366.509 3.056 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572744 504864245 /nfs/dbraw/zinc/86/42/45/504864245.db2.gz QITASWVFKWRAQI-QUCCMNQESA-N 2 1 366.509 3.056 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000556506045 504891742 /nfs/dbraw/zinc/89/17/42/504891742.db2.gz HYVROIZYBBXPSK-JOCHJYFZSA-N 2 1 363.505 3.195 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC=C(c2ccccc2)C1)c1ccccc1 ZINC000556506045 504891747 /nfs/dbraw/zinc/89/17/47/504891747.db2.gz HYVROIZYBBXPSK-JOCHJYFZSA-N 2 1 363.505 3.195 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559785182 504927552 /nfs/dbraw/zinc/92/75/52/504927552.db2.gz MZIHKXGKBIWPOM-SFTDATJTSA-N 2 1 369.484 3.371 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559785182 504927556 /nfs/dbraw/zinc/92/75/56/504927556.db2.gz MZIHKXGKBIWPOM-SFTDATJTSA-N 2 1 369.484 3.371 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000553494658 504932010 /nfs/dbraw/zinc/93/20/10/504932010.db2.gz WDVMOMGGGBQXBE-JKWVGCSGSA-N 2 1 355.526 3.125 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000553494658 504932015 /nfs/dbraw/zinc/93/20/15/504932015.db2.gz WDVMOMGGGBQXBE-JKWVGCSGSA-N 2 1 355.526 3.125 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000553494658 504932019 /nfs/dbraw/zinc/93/20/19/504932019.db2.gz WDVMOMGGGBQXBE-JKWVGCSGSA-N 2 1 355.526 3.125 20 0 FGADMP COc1ccncc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870630 504941018 /nfs/dbraw/zinc/94/10/18/504941018.db2.gz GXPCWSRFOCQEQJ-SESVDKBCSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870630 504941021 /nfs/dbraw/zinc/94/10/21/504941021.db2.gz GXPCWSRFOCQEQJ-SESVDKBCSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870630 504941025 /nfs/dbraw/zinc/94/10/25/504941025.db2.gz GXPCWSRFOCQEQJ-SESVDKBCSA-N 2 1 351.494 3.481 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000553541564 504944423 /nfs/dbraw/zinc/94/44/23/504944423.db2.gz RWZBRKSOBCWWDU-FQEVSTJZSA-N 2 1 360.542 3.462 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556864179 504999662 /nfs/dbraw/zinc/99/96/62/504999662.db2.gz CNUGWFUTFCUDIA-MDNUFGMLSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cc(Br)cn2)cc1 ZINC000556924137 505018623 /nfs/dbraw/zinc/01/86/23/505018623.db2.gz HAJHQFMORITHJT-CYBMUJFWSA-N 2 1 374.286 3.491 20 0 FGADMP C[C@H](NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@H]1CCC[NH2+]C1 ZINC000566100926 505080819 /nfs/dbraw/zinc/08/08/19/505080819.db2.gz UVELWPKPMWGXRO-AVRDEDQJSA-N 2 1 365.521 3.437 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000566106290 505082035 /nfs/dbraw/zinc/08/20/35/505082035.db2.gz LZEIPRFZRTZIHO-CYBMUJFWSA-N 2 1 368.403 3.465 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192598 505113060 /nfs/dbraw/zinc/11/30/60/505113060.db2.gz ZYFJOVPEAAUPPT-GGPKGHCWSA-N 2 1 360.546 3.017 20 0 FGADMP C[C@@H]1CC2(CN1C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209646 505113068 /nfs/dbraw/zinc/11/30/68/505113068.db2.gz UUBSEIWAEICJRN-IEBWSBKVSA-N 2 1 373.516 3.028 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(F)(F)F ZINC000566216127 505113515 /nfs/dbraw/zinc/11/35/15/505113515.db2.gz OYNDECPJCKUCEI-IXDOHACOSA-N 2 1 356.432 3.475 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(F)(F)F ZINC000566216127 505113519 /nfs/dbraw/zinc/11/35/19/505113519.db2.gz OYNDECPJCKUCEI-IXDOHACOSA-N 2 1 356.432 3.475 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(F)(F)F ZINC000566216129 505113708 /nfs/dbraw/zinc/11/37/08/505113708.db2.gz OYNDECPJCKUCEI-YESZJQIVSA-N 2 1 356.432 3.475 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(F)(F)F ZINC000566216129 505113714 /nfs/dbraw/zinc/11/37/14/505113714.db2.gz OYNDECPJCKUCEI-YESZJQIVSA-N 2 1 356.432 3.475 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245231 505121519 /nfs/dbraw/zinc/12/15/19/505121519.db2.gz MUKZUZBULPJOEF-FRQCXROJSA-N 2 1 363.571 3.273 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000560548165 505122653 /nfs/dbraw/zinc/12/26/53/505122653.db2.gz AIJFTHNHXIANSX-BZSNNMDCSA-N 2 1 358.461 3.271 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cn2ccccc2n1 ZINC000563416030 505136761 /nfs/dbraw/zinc/13/67/61/505136761.db2.gz FLOJQUDPBHJNRR-YLJYHZDGSA-N 2 1 364.493 3.142 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cn2ccccc2n1 ZINC000563416030 505136765 /nfs/dbraw/zinc/13/67/65/505136765.db2.gz FLOJQUDPBHJNRR-YLJYHZDGSA-N 2 1 364.493 3.142 20 0 FGADMP Clc1cc(Cl)c2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cn2c1 ZINC000566304165 505140122 /nfs/dbraw/zinc/14/01/22/505140122.db2.gz RFTFMLVXIUPVNN-CYBMUJFWSA-N 2 1 353.297 3.463 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCO[C@@H](C(C)C)C2)CC1 ZINC000560639875 505151804 /nfs/dbraw/zinc/15/18/04/505151804.db2.gz SCOVGCDRPSVANJ-JOCHJYFZSA-N 2 1 359.558 3.466 20 0 FGADMP c1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000563501781 505158549 /nfs/dbraw/zinc/15/85/49/505158549.db2.gz HFTMKUCGJABZJC-GOSISDBHSA-N 2 1 357.523 3.162 20 0 FGADMP c1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000563501781 505158552 /nfs/dbraw/zinc/15/85/52/505158552.db2.gz HFTMKUCGJABZJC-GOSISDBHSA-N 2 1 357.523 3.162 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000557539717 505161910 /nfs/dbraw/zinc/16/19/10/505161910.db2.gz QXVPUBQBMXILTD-UHFFFAOYSA-N 2 1 372.532 3.405 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NCC1(CN2CCOCC2)CCCCC1 ZINC000554387811 505162599 /nfs/dbraw/zinc/16/25/99/505162599.db2.gz NMQRJEXJYBPZTG-UHFFFAOYSA-N 2 1 360.502 3.103 20 0 FGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265433 505188235 /nfs/dbraw/zinc/18/82/35/505188235.db2.gz VKWODOHPQOZXKD-UXHICEINSA-N 2 1 358.526 3.072 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641494 505191015 /nfs/dbraw/zinc/19/10/15/505191015.db2.gz TYUZBFXQRLALAN-IFMALSPDSA-N 2 1 357.542 3.231 20 0 FGADMP CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000554550052 505205194 /nfs/dbraw/zinc/20/51/94/505205194.db2.gz ATFMPNFADVHJFT-TZIWHRDSSA-N 2 1 374.573 3.129 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667928 505205326 /nfs/dbraw/zinc/20/53/26/505205326.db2.gz XPUVHELGCLNZPH-SJLPKXTDSA-N 2 1 355.482 3.017 20 0 FGADMP CC[NH+](CC)CC1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000563737275 505224618 /nfs/dbraw/zinc/22/46/18/505224618.db2.gz GSAKYQJXFMKSMU-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP CC[NH+](CC)CC1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000563737275 505224620 /nfs/dbraw/zinc/22/46/20/505224620.db2.gz GSAKYQJXFMKSMU-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632032 505227761 /nfs/dbraw/zinc/22/77/61/505227761.db2.gz JREABFSNKGLCTK-ABSDTBQOSA-N 2 1 369.509 3.272 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632032 505227767 /nfs/dbraw/zinc/22/77/67/505227767.db2.gz JREABFSNKGLCTK-ABSDTBQOSA-N 2 1 369.509 3.272 20 0 FGADMP COc1ncc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000551529068 505244983 /nfs/dbraw/zinc/24/49/83/505244983.db2.gz AOQQDHOEPMTZNX-ZNMIVQPWSA-N 2 1 355.910 3.284 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000554741829 505253808 /nfs/dbraw/zinc/25/38/08/505253808.db2.gz PHFPGCWDYBMLSX-PWVUHJLOSA-N 2 1 369.553 3.134 20 0 FGADMP CCc1ccc(CNC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000561144807 505262655 /nfs/dbraw/zinc/26/26/55/505262655.db2.gz MYNWUGDOWVLSNR-UHFFFAOYSA-N 2 1 363.571 3.123 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797103 505274607 /nfs/dbraw/zinc/27/46/07/505274607.db2.gz VUXPNEJCZMGGNO-DFQSSKMNSA-N 2 1 365.521 3.339 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@@H]1c1cccs1 ZINC000563955553 505287889 /nfs/dbraw/zinc/28/78/89/505287889.db2.gz KURLHIJFSBSCJB-IMFGXOCKSA-N 2 1 369.534 3.134 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022172 505288314 /nfs/dbraw/zinc/28/83/14/505288314.db2.gz HWVJMFVFITYAQO-CNNODRBYSA-N 2 1 369.553 3.087 20 0 FGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2cnn(C)c2)c1 ZINC000554915668 505298729 /nfs/dbraw/zinc/29/87/29/505298729.db2.gz XSABMPNPIXLWCT-KDURUIRLSA-N 2 1 370.541 3.375 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000551806642 505314289 /nfs/dbraw/zinc/31/42/89/505314289.db2.gz UWIKGVQIAUQORM-FYYLOGMGSA-N 2 1 367.537 3.205 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001025 505334474 /nfs/dbraw/zinc/33/44/74/505334474.db2.gz DFKXZGGIXDLCEO-PZJWPPBQSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506530 505363349 /nfs/dbraw/zinc/36/33/49/505363349.db2.gz ZMDNCHZRCRSAHD-RDGPPVDQSA-N 2 1 364.578 3.011 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000564262118 505366216 /nfs/dbraw/zinc/36/62/16/505366216.db2.gz XZFBRULDFQUUPZ-RLLQIKCJSA-N 2 1 354.498 3.203 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)N(C)Cc1ccccc1 ZINC000564262118 505366221 /nfs/dbraw/zinc/36/62/21/505366221.db2.gz XZFBRULDFQUUPZ-RLLQIKCJSA-N 2 1 354.498 3.203 20 0 FGADMP C[C@H](C(=O)NC[C@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552025896 505373510 /nfs/dbraw/zinc/37/35/10/505373510.db2.gz PICFDUIWWZQAAN-KYHPRHEASA-N 2 1 365.949 3.363 20 0 FGADMP C[C@@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147510 505376860 /nfs/dbraw/zinc/37/68/60/505376860.db2.gz PHOHSQCRIHRYOO-GCJKJVERSA-N 2 1 350.506 3.017 20 0 FGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552047641 505381406 /nfs/dbraw/zinc/38/14/06/505381406.db2.gz TWXVVTVUEWKMHB-JOZSIVFUSA-N 2 1 362.583 3.379 20 0 FGADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000564320239 505382778 /nfs/dbraw/zinc/38/27/78/505382778.db2.gz YNFFRQCDYFQUBH-UHFFFAOYSA-N 2 1 358.486 3.012 20 0 FGADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000564320239 505382784 /nfs/dbraw/zinc/38/27/84/505382784.db2.gz YNFFRQCDYFQUBH-UHFFFAOYSA-N 2 1 358.486 3.012 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000552063309 505386875 /nfs/dbraw/zinc/38/68/75/505386875.db2.gz VXKOQCNBYYBOAC-SKWUIDRYSA-N 2 1 370.459 3.319 20 0 FGADMP CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000552065485 505388033 /nfs/dbraw/zinc/38/80/33/505388033.db2.gz BKUQJLUPQXRJPI-MBDNFAEBSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000564381396 505400591 /nfs/dbraw/zinc/40/05/91/505400591.db2.gz VBXDDDKPQCCGHY-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000564381396 505400595 /nfs/dbraw/zinc/40/05/95/505400595.db2.gz VBXDDDKPQCCGHY-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000564381396 505400600 /nfs/dbraw/zinc/40/06/00/505400600.db2.gz VBXDDDKPQCCGHY-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000564381396 505400606 /nfs/dbraw/zinc/40/06/06/505400606.db2.gz VBXDDDKPQCCGHY-RTBURBONSA-N 2 1 365.521 3.070 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228721 505401455 /nfs/dbraw/zinc/40/14/55/505401455.db2.gz RGNQTMZSKPACRN-CVEARBPZSA-N 2 1 355.486 3.417 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228721 505401460 /nfs/dbraw/zinc/40/14/60/505401460.db2.gz RGNQTMZSKPACRN-CVEARBPZSA-N 2 1 355.486 3.417 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567232247 505402825 /nfs/dbraw/zinc/40/28/25/505402825.db2.gz KDINXXCNNGBNMD-WBQJQJEBSA-N 2 1 359.514 3.142 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567232247 505402829 /nfs/dbraw/zinc/40/28/29/505402829.db2.gz KDINXXCNNGBNMD-WBQJQJEBSA-N 2 1 359.514 3.142 20 0 FGADMP COc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000552111185 505403911 /nfs/dbraw/zinc/40/39/11/505403911.db2.gz VMSXZZOTWILERC-KRWDZBQOSA-N 2 1 353.304 3.375 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000564433090 505418756 /nfs/dbraw/zinc/41/87/56/505418756.db2.gz LTSLAFYTQNCZED-QFBILLFUSA-N 2 1 363.465 3.366 20 0 FGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000558575683 505428164 /nfs/dbraw/zinc/42/81/64/505428164.db2.gz UZRPGNGOWWZFAK-SQFISAMPSA-N 2 1 354.441 3.128 20 0 FGADMP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552245004 505439298 /nfs/dbraw/zinc/43/92/98/505439298.db2.gz QBDLODSKGPQEED-MBDNFAEBSA-N 2 1 360.542 3.054 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1)C1CCOCC1 ZINC000558699625 505467347 /nfs/dbraw/zinc/46/73/47/505467347.db2.gz XWSIOFYYWWVFRZ-BWAGFHJFSA-N 2 1 358.526 3.454 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000561948634 505475522 /nfs/dbraw/zinc/47/55/22/505475522.db2.gz IWPKAMXJVOOXBQ-IBGZPJMESA-N 2 1 371.550 3.352 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000561948634 505475524 /nfs/dbraw/zinc/47/55/24/505475524.db2.gz IWPKAMXJVOOXBQ-IBGZPJMESA-N 2 1 371.550 3.352 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc2cccnc21 ZINC000558919484 505529275 /nfs/dbraw/zinc/52/92/75/505529275.db2.gz LUHSCRQSFAWWSR-UHFFFAOYSA-N 2 1 367.541 3.262 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1 ZINC000564837077 505533904 /nfs/dbraw/zinc/53/39/04/505533904.db2.gz WXJBHYIJDDPSBW-IBGZPJMESA-N 2 1 365.521 3.438 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]CC2Cc3ccccc3C2)c2cccs2)CC1 ZINC000562201076 505538361 /nfs/dbraw/zinc/53/83/61/505538361.db2.gz AOBQMWYRSRXXQF-FQEVSTJZSA-N 2 1 355.551 3.041 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccccc1C(F)(F)F ZINC000567700241 505541179 /nfs/dbraw/zinc/54/11/79/505541179.db2.gz HYZNHHBIKGECPS-GPANFISMSA-N 2 1 372.431 3.052 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCCC[NH2+]C2CC2)c1 ZINC000565000584 505566702 /nfs/dbraw/zinc/56/67/02/505566702.db2.gz PUFFHOBZGAEJFW-UHFFFAOYSA-N 2 1 351.494 3.191 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H]3Cc4ccccc43)CC2)CC1 ZINC000582743439 506393399 /nfs/dbraw/zinc/39/33/99/506393399.db2.gz GNVIQIACNFZQRS-OAQYLSRUSA-N 2 1 355.570 3.454 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1Cc2ccccc21 ZINC000582743439 506393406 /nfs/dbraw/zinc/39/34/06/506393406.db2.gz GNVIQIACNFZQRS-OAQYLSRUSA-N 3 1 355.570 3.454 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1Cc2ccccc21 ZINC000582743439 506393413 /nfs/dbraw/zinc/39/34/13/506393413.db2.gz GNVIQIACNFZQRS-OAQYLSRUSA-N 3 1 355.570 3.454 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)o1 ZINC000599636754 506543157 /nfs/dbraw/zinc/54/31/57/506543157.db2.gz MBNUYQMMLPEVGA-QGZVFWFLSA-N 2 1 357.498 3.372 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608691525 506667650 /nfs/dbraw/zinc/66/76/50/506667650.db2.gz DTBSWKCIDJQGKZ-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608691525 506667654 /nfs/dbraw/zinc/66/76/54/506667654.db2.gz DTBSWKCIDJQGKZ-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CCc1ccc([C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000589947523 506685771 /nfs/dbraw/zinc/68/57/71/506685771.db2.gz KMJHRDQACDBTIE-NQIIRXRSSA-N 2 1 359.558 3.227 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000589992637 506698817 /nfs/dbraw/zinc/69/88/17/506698817.db2.gz GOCFLARBEGGXLF-RTWAWAEBSA-N 2 1 369.509 3.107 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000604090870 506710216 /nfs/dbraw/zinc/71/02/16/506710216.db2.gz JNHWFXWIHGLBHL-DHIUTWEWSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000604090870 506710223 /nfs/dbraw/zinc/71/02/23/506710223.db2.gz JNHWFXWIHGLBHL-DHIUTWEWSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090870 506710229 /nfs/dbraw/zinc/71/02/29/506710229.db2.gz JNHWFXWIHGLBHL-DHIUTWEWSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090870 506710235 /nfs/dbraw/zinc/71/02/35/506710235.db2.gz JNHWFXWIHGLBHL-DHIUTWEWSA-N 2 1 352.522 3.495 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000604107053 506715505 /nfs/dbraw/zinc/71/55/05/506715505.db2.gz YQHKZYVYPMVJTC-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604107053 506715508 /nfs/dbraw/zinc/71/55/08/506715508.db2.gz YQHKZYVYPMVJTC-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604107053 506715511 /nfs/dbraw/zinc/71/55/11/506715511.db2.gz YQHKZYVYPMVJTC-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000604171465 506734671 /nfs/dbraw/zinc/73/46/71/506734671.db2.gz NUINIBVQJFKXDR-PMACEKPBSA-N 2 1 374.573 3.331 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171435 506734831 /nfs/dbraw/zinc/73/48/31/506734831.db2.gz KWQFAVUUQZGZJW-CTNGQTDRSA-N 2 1 372.557 3.245 20 0 FGADMP CCOC(=O)c1cccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000600109974 506780559 /nfs/dbraw/zinc/78/05/59/506780559.db2.gz UOEZSVLUYZKBFA-UHFFFAOYSA-N 2 1 359.514 3.346 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000583583939 506862110 /nfs/dbraw/zinc/86/21/10/506862110.db2.gz LSLAFUQMWRCDMH-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583939 506862114 /nfs/dbraw/zinc/86/21/14/506862114.db2.gz LSLAFUQMWRCDMH-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)CC[NH+]1Cc1ccccc1 ZINC000583583939 506862119 /nfs/dbraw/zinc/86/21/19/506862119.db2.gz LSLAFUQMWRCDMH-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)sc1Br ZINC000583720437 506933137 /nfs/dbraw/zinc/93/31/37/506933137.db2.gz JAZXEBYMVCSOFT-UHFFFAOYSA-N 2 1 374.392 3.277 20 0 FGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)sc1Br ZINC000583720437 506933140 /nfs/dbraw/zinc/93/31/40/506933140.db2.gz JAZXEBYMVCSOFT-UHFFFAOYSA-N 2 1 374.392 3.277 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)CC2 ZINC000583816523 506989824 /nfs/dbraw/zinc/98/98/24/506989824.db2.gz AJPYTPFKRJGGEY-KRWDZBQOSA-N 2 1 352.482 3.029 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)CC2 ZINC000583816523 506989828 /nfs/dbraw/zinc/98/98/28/506989828.db2.gz AJPYTPFKRJGGEY-KRWDZBQOSA-N 2 1 352.482 3.029 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000613366581 507050443 /nfs/dbraw/zinc/05/04/43/507050443.db2.gz AHEINIGJXNIHGI-UHFFFAOYSA-N 2 1 357.523 3.092 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1cccs1 ZINC000613366581 507050451 /nfs/dbraw/zinc/05/04/51/507050451.db2.gz AHEINIGJXNIHGI-UHFFFAOYSA-N 2 1 357.523 3.092 20 0 FGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000583929224 507054081 /nfs/dbraw/zinc/05/40/81/507054081.db2.gz SUTFYGHJONQQOP-KGVIQGDOSA-N 2 1 365.521 3.435 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000605200171 507108939 /nfs/dbraw/zinc/10/89/39/507108939.db2.gz INVPNFCFKHIGND-UHFFFAOYSA-N 2 1 362.518 3.013 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000591096437 507112745 /nfs/dbraw/zinc/11/27/45/507112745.db2.gz NZQAZQCNBDJWKE-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096437 507112749 /nfs/dbraw/zinc/11/27/49/507112749.db2.gz NZQAZQCNBDJWKE-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000591096437 507112751 /nfs/dbraw/zinc/11/27/51/507112751.db2.gz NZQAZQCNBDJWKE-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106393 507118777 /nfs/dbraw/zinc/11/87/77/507118777.db2.gz MZRKZPFKHKTKHX-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106393 507118784 /nfs/dbraw/zinc/11/87/84/507118784.db2.gz MZRKZPFKHKTKHX-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000591175703 507143812 /nfs/dbraw/zinc/14/38/12/507143812.db2.gz AQRGMWQTIRXWDU-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854956 507148264 /nfs/dbraw/zinc/14/82/64/507148264.db2.gz YKGMGHQIECKASR-UXHICEINSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000600854956 507148268 /nfs/dbraw/zinc/14/82/68/507148268.db2.gz YKGMGHQIECKASR-UXHICEINSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000600854956 507148271 /nfs/dbraw/zinc/14/82/71/507148271.db2.gz YKGMGHQIECKASR-UXHICEINSA-N 2 1 374.573 3.461 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859700 507150808 /nfs/dbraw/zinc/15/08/08/507150808.db2.gz MXYFRQOYDNIDMX-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859700 507150813 /nfs/dbraw/zinc/15/08/13/507150813.db2.gz MXYFRQOYDNIDMX-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859700 507150818 /nfs/dbraw/zinc/15/08/18/507150818.db2.gz MXYFRQOYDNIDMX-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000613608740 507180400 /nfs/dbraw/zinc/18/04/00/507180400.db2.gz KEDZIHHTYYBATQ-OAQYLSRUSA-N 2 1 366.509 3.235 20 0 FGADMP CC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591425821 507246057 /nfs/dbraw/zinc/24/60/57/507246057.db2.gz XLOFKMAERXSNTQ-GOSISDBHSA-N 2 1 373.541 3.154 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000591437374 507249192 /nfs/dbraw/zinc/24/91/92/507249192.db2.gz GXQSUIBFUASFED-CRAIPNDOSA-N 2 1 353.466 3.217 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000584323906 507278505 /nfs/dbraw/zinc/27/85/05/507278505.db2.gz NGKFZZBMEUXGDL-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323906 507278512 /nfs/dbraw/zinc/27/85/12/507278512.db2.gz NGKFZZBMEUXGDL-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000584323906 507278521 /nfs/dbraw/zinc/27/85/21/507278521.db2.gz NGKFZZBMEUXGDL-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591559492 507292379 /nfs/dbraw/zinc/29/23/79/507292379.db2.gz SFVADDXASBHTBI-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591559490 507292567 /nfs/dbraw/zinc/29/25/67/507292567.db2.gz SFVADDXASBHTBI-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000594919797 507316098 /nfs/dbraw/zinc/31/60/98/507316098.db2.gz BEZRSLVONZBZOX-CDHQVMDDSA-N 2 1 356.466 3.199 20 0 FGADMP C[S@](=O)c1ccc(C[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000610658168 507334302 /nfs/dbraw/zinc/33/43/02/507334302.db2.gz IJHUJMGQLITTBM-VWLOTQADSA-N 2 1 356.535 3.221 20 0 FGADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000610658168 507334303 /nfs/dbraw/zinc/33/43/03/507334303.db2.gz IJHUJMGQLITTBM-VWLOTQADSA-N 2 1 356.535 3.221 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCCC1 ZINC000606208947 507348559 /nfs/dbraw/zinc/34/85/59/507348559.db2.gz SQMWYWRRZGOIMN-OTWHNJEPSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCCC1 ZINC000606208947 507348568 /nfs/dbraw/zinc/34/85/68/507348568.db2.gz SQMWYWRRZGOIMN-OTWHNJEPSA-N 2 1 373.541 3.499 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024502 507358550 /nfs/dbraw/zinc/35/85/50/507358550.db2.gz GSFJYYXXUBXYRX-XFJVYGCCSA-N 2 1 370.278 3.351 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024502 507358554 /nfs/dbraw/zinc/35/85/54/507358554.db2.gz GSFJYYXXUBXYRX-XFJVYGCCSA-N 2 1 370.278 3.351 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)n2c1CCCC2 ZINC000598631351 507524227 /nfs/dbraw/zinc/52/42/27/507524227.db2.gz SHODUUYUGLPRJH-UHFFFAOYSA-N 2 1 373.541 3.355 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)CC(C)C ZINC000592483668 507675070 /nfs/dbraw/zinc/67/50/70/507675070.db2.gz HFJAFNRBCFCYGV-HKUYNNGSSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000615064580 507739402 /nfs/dbraw/zinc/73/94/02/507739402.db2.gz RMOZYFMWZYKFAJ-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000615064580 507739408 /nfs/dbraw/zinc/73/94/08/507739408.db2.gz RMOZYFMWZYKFAJ-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000615064580 507739412 /nfs/dbraw/zinc/73/94/12/507739412.db2.gz RMOZYFMWZYKFAJ-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000615064580 507739417 /nfs/dbraw/zinc/73/94/17/507739417.db2.gz RMOZYFMWZYKFAJ-HNNXBMFYSA-N 2 1 356.514 3.006 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106092 507763760 /nfs/dbraw/zinc/76/37/60/507763760.db2.gz DGQUEMOEZRKFPD-QGZVFWFLSA-N 2 1 353.457 3.112 20 0 FGADMP c1sc(Nc2ccccc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240030 517646883 /nfs/dbraw/zinc/64/68/83/517646883.db2.gz JWNQGXRMKAYVNS-IBGZPJMESA-N 2 1 372.538 3.477 20 0 FGADMP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000541834722 562621127 /nfs/dbraw/zinc/62/11/27/562621127.db2.gz PPIWTNVLHPUOTA-UHFFFAOYSA-N 2 1 369.513 3.062 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123978 568082454 /nfs/dbraw/zinc/08/24/54/568082454.db2.gz LDCPSUMZFIXVCN-HJNYFJLDSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123978 568082455 /nfs/dbraw/zinc/08/24/55/568082455.db2.gz LDCPSUMZFIXVCN-HJNYFJLDSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@H](C)C1 ZINC000669123978 568082456 /nfs/dbraw/zinc/08/24/56/568082456.db2.gz LDCPSUMZFIXVCN-HJNYFJLDSA-N 2 1 371.569 3.130 20 0 FGADMP CSc1cccc(N(C(=O)Cn2c[nH+]cc2C)C2CC[NH+](C)CC2)c1 ZINC000636850435 568135139 /nfs/dbraw/zinc/13/51/39/568135139.db2.gz QGCFSYCFPVOOIE-UHFFFAOYSA-N 2 1 358.511 3.041 20 0 FGADMP CCc1ccc(-c2ccc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000525802708 568565500 /nfs/dbraw/zinc/56/55/00/568565500.db2.gz SIHFMMPBPQXWOF-IBGZPJMESA-N 2 1 369.509 3.186 20 0 FGADMP CCc1ccc(-c2ccc(C[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)o2)cc1 ZINC000525802708 568565502 /nfs/dbraw/zinc/56/55/02/568565502.db2.gz SIHFMMPBPQXWOF-IBGZPJMESA-N 2 1 369.509 3.186 20 0 FGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437907 599315535 /nfs/dbraw/zinc/31/55/35/599315535.db2.gz TYGQFJAULVHGCN-HOTGVXAUSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737437907 599315538 /nfs/dbraw/zinc/31/55/38/599315538.db2.gz TYGQFJAULVHGCN-HOTGVXAUSA-N 2 1 363.469 3.065 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824936084 608742110 /nfs/dbraw/zinc/74/21/10/608742110.db2.gz DSESQOJNTWLSKH-HNNXBMFYSA-N 2 1 374.558 3.405 20 0 FGADMP COc1cc(Br)c(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000091844300 700427167 /nfs/dbraw/zinc/42/71/67/700427167.db2.gz SCFZXKBLRZABIB-UHFFFAOYSA-N 2 1 357.292 3.168 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116815976 700597283 /nfs/dbraw/zinc/59/72/83/700597283.db2.gz PWYCUFVGKNYDCS-UHFFFAOYSA-N 2 1 364.877 3.204 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000127389348 700760880 /nfs/dbraw/zinc/76/08/80/700760880.db2.gz LNQCDAINVHTXDQ-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000127389348 700760882 /nfs/dbraw/zinc/76/08/82/700760882.db2.gz LNQCDAINVHTXDQ-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CSCCS3)CC2)cc1 ZINC000165745110 705340607 /nfs/dbraw/zinc/34/06/07/705340607.db2.gz TXUPNRCSKVYVLB-SFHVURJKSA-N 2 1 354.560 3.271 20 0 FGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000177488762 705624737 /nfs/dbraw/zinc/62/47/37/705624737.db2.gz UQMRLHPXKZXKFF-CRAIPNDOSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183686174 705897501 /nfs/dbraw/zinc/89/75/01/705897501.db2.gz LMMAXFSRQLQVRX-QAPCUYQASA-N 2 1 351.535 3.381 20 0 FGADMP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000185303046 712691329 /nfs/dbraw/zinc/69/13/29/712691329.db2.gz BDASFFCYAZLKHY-QZTJIDSGSA-N 2 1 367.877 3.106 20 0 FGADMP O=[N+]([O-])c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1Cl ZINC000187382975 712740357 /nfs/dbraw/zinc/74/03/57/712740357.db2.gz VROBGLDQDYEMKS-UHFFFAOYSA-N 2 1 367.877 3.325 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192832755 712874978 /nfs/dbraw/zinc/87/49/78/712874978.db2.gz OHWDCCVXVYKLMK-ZDUSSCGKSA-N 2 1 360.329 3.377 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192832755 712874980 /nfs/dbraw/zinc/87/49/80/712874980.db2.gz OHWDCCVXVYKLMK-ZDUSSCGKSA-N 2 1 360.329 3.377 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175651 713547996 /nfs/dbraw/zinc/54/79/96/713547996.db2.gz RGPBJNZLVJFRFH-PXNSSMCTSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175651 713547999 /nfs/dbraw/zinc/54/79/99/713547999.db2.gz RGPBJNZLVJFRFH-PXNSSMCTSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175651 713548001 /nfs/dbraw/zinc/54/80/01/713548001.db2.gz RGPBJNZLVJFRFH-PXNSSMCTSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000195174225 713548202 /nfs/dbraw/zinc/54/82/02/713548202.db2.gz PGRDKAYGDWWBKW-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000236590807 713581442 /nfs/dbraw/zinc/58/14/42/713581442.db2.gz JFIWIQHMDBENMR-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245905437 713613532 /nfs/dbraw/zinc/61/35/32/713613532.db2.gz FETORUJUQIYBKW-SQNIBIBYSA-N 2 1 353.551 3.391 20 0 FGADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OCC(F)(F)F ZINC000262083922 713718479 /nfs/dbraw/zinc/71/84/79/713718479.db2.gz UAQZYQXAZHUWKW-UHFFFAOYSA-N 2 1 358.404 3.212 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCS(=O)(=O)CC1)C1CCCCC1 ZINC000291280603 713770966 /nfs/dbraw/zinc/77/09/66/713770966.db2.gz YTKPMTNHPPNKPG-UHFFFAOYSA-N 2 1 364.555 3.118 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000374412038 713920770 /nfs/dbraw/zinc/92/07/70/713920770.db2.gz PIKGCQYPVUWSAT-FUHIMQAGSA-N 2 1 357.523 3.337 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000385405794 713983073 /nfs/dbraw/zinc/98/30/73/713983073.db2.gz AEQMXHISTGOOJN-ZJPYXAASSA-N 2 1 351.535 3.429 20 0 FGADMP C[C@@H]1CC[C@](CO)([NH+](C)CCCCC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495250162 714106040 /nfs/dbraw/zinc/10/60/40/714106040.db2.gz PUZQDXUTXBVJRD-CGXNFDGLSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@@](CO)([N@@H+](C)CCCCC[NH+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495250167 714106118 /nfs/dbraw/zinc/10/61/18/714106118.db2.gz PUZQDXUTXBVJRD-NCYKPQTJSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@@](CO)([NH+](C)CCCCC[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495250167 714106120 /nfs/dbraw/zinc/10/61/20/714106120.db2.gz PUZQDXUTXBVJRD-NCYKPQTJSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@@](CO)([NH+](C)CCCCC[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)C1 ZINC000495250167 714106122 /nfs/dbraw/zinc/10/61/22/714106122.db2.gz PUZQDXUTXBVJRD-NCYKPQTJSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000521682869 714141445 /nfs/dbraw/zinc/14/14/45/714141445.db2.gz KTALOEUSAXZOSZ-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000521786312 714148238 /nfs/dbraw/zinc/14/82/38/714148238.db2.gz ZHEMQPVXFNLWTH-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000521919706 714156361 /nfs/dbraw/zinc/15/63/61/714156361.db2.gz ZHMWBYZPSXUUCW-LJQANCHMSA-N 2 1 359.901 3.191 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000521919706 714156366 /nfs/dbraw/zinc/15/63/66/714156366.db2.gz ZHMWBYZPSXUUCW-LJQANCHMSA-N 2 1 359.901 3.191 20 0 FGADMP C[C@H](N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372961 714457555 /nfs/dbraw/zinc/45/75/55/714457555.db2.gz MQKJVSBCLXZURR-QILLFSRXSA-N 2 1 355.448 3.257 20 0 FGADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CCC[NH2+]C1 ZINC000575372961 714457557 /nfs/dbraw/zinc/45/75/57/714457557.db2.gz MQKJVSBCLXZURR-QILLFSRXSA-N 2 1 355.448 3.257 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@@H]2[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000579822738 714498707 /nfs/dbraw/zinc/49/87/07/714498707.db2.gz OIPRTODNFOLHQG-XUVXKRRUSA-N 2 1 364.555 3.059 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414155 715330735 /nfs/dbraw/zinc/33/07/35/715330735.db2.gz VTVFQXLJGXOFAX-QGZVFWFLSA-N 2 1 364.603 3.380 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414155 715330741 /nfs/dbraw/zinc/33/07/41/715330741.db2.gz VTVFQXLJGXOFAX-QGZVFWFLSA-N 3 1 364.603 3.380 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cs1 ZINC000623414155 715330745 /nfs/dbraw/zinc/33/07/45/715330745.db2.gz VTVFQXLJGXOFAX-QGZVFWFLSA-N 3 1 364.603 3.380 20 0 FGADMP Cc1csc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000623861470 715417395 /nfs/dbraw/zinc/41/73/95/715417395.db2.gz YYEVPUSFKJSPSK-PKOBYXMFSA-N 2 1 358.555 3.481 20 0 FGADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000623888439 715424996 /nfs/dbraw/zinc/42/49/96/715424996.db2.gz HFMAEKQBLJEYQA-MRXNPFEDSA-N 2 1 368.363 3.436 20 0 FGADMP CN1CCO[C@@H]([C@@H](NC[C@H]2CCCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122582 715477643 /nfs/dbraw/zinc/47/76/43/715477643.db2.gz WDOOKMVCKQVTEJ-AHRSYUTCSA-N 2 1 365.949 3.033 20 0 FGADMP CC1(C)C[NH+](CCCCCCCCC[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@H]1O ZINC000790448480 723141315 /nfs/dbraw/zinc/14/13/15/723141315.db2.gz BNERMLLWIVKFHI-RTBURBONSA-N 2 1 354.579 3.123 20 0 FGADMP C[N@@H+]1CCCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756968 716180061 /nfs/dbraw/zinc/18/00/61/716180061.db2.gz YWPFJPBVFKENRY-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756968 716180062 /nfs/dbraw/zinc/18/00/62/716180062.db2.gz YWPFJPBVFKENRY-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756968 716180063 /nfs/dbraw/zinc/18/00/63/716180063.db2.gz YWPFJPBVFKENRY-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756968 716180064 /nfs/dbraw/zinc/18/00/64/716180064.db2.gz YWPFJPBVFKENRY-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000628967976 716193258 /nfs/dbraw/zinc/19/32/58/716193258.db2.gz AOKOMYHVTZUAKT-KFNAQCHYSA-N 2 1 358.313 3.053 20 0 FGADMP COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000629525249 716303637 /nfs/dbraw/zinc/30/36/37/716303637.db2.gz ZFEHBSYXZUTSIH-HRCADAONSA-N 2 1 368.319 3.253 20 0 FGADMP Clc1cc(Br)ccc1[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000629581004 716310935 /nfs/dbraw/zinc/31/09/35/716310935.db2.gz JQNDGEXQERNCFU-INIZCTEOSA-N 2 1 372.738 3.145 20 0 FGADMP Clc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000629581004 716310936 /nfs/dbraw/zinc/31/09/36/716310936.db2.gz JQNDGEXQERNCFU-INIZCTEOSA-N 2 1 372.738 3.145 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629653720 716329649 /nfs/dbraw/zinc/32/96/49/716329649.db2.gz FSBBNJJESLKJNK-TZMCWYRMSA-N 2 1 352.347 3.290 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@H]1C(F)(F)F ZINC000629653720 716329653 /nfs/dbraw/zinc/32/96/53/716329653.db2.gz FSBBNJJESLKJNK-TZMCWYRMSA-N 2 1 352.347 3.290 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629656211 716330446 /nfs/dbraw/zinc/33/04/46/716330446.db2.gz NBCQEIGMHBMZKA-GDBMZVCRSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629656211 716330450 /nfs/dbraw/zinc/33/04/50/716330450.db2.gz NBCQEIGMHBMZKA-GDBMZVCRSA-N 2 1 352.404 3.344 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H](n2cncn2)C(F)(F)F)CC1 ZINC000631687981 716660334 /nfs/dbraw/zinc/66/03/34/716660334.db2.gz OZDILIQVMUIRCS-BMFZPTHFSA-N 2 1 359.440 3.014 20 0 FGADMP C[NH+](C)CCCS(=O)(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000631701095 716664355 /nfs/dbraw/zinc/66/43/55/716664355.db2.gz HBEFHMDKTQACGR-UHFFFAOYSA-N 2 1 367.559 3.145 20 0 FGADMP [NH3+]CC1(NC(=O)Nc2ccccc2C[NH+]2CCSCC2)CCCCC1 ZINC000632924882 716843051 /nfs/dbraw/zinc/84/30/51/716843051.db2.gz LGUNDYKFDBSTHB-UHFFFAOYSA-N 2 1 362.543 3.019 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635454186 717171782 /nfs/dbraw/zinc/17/17/82/717171782.db2.gz UNBJOAKZKHSFHS-LPHOPBHVSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635454186 717171786 /nfs/dbraw/zinc/17/17/86/717171786.db2.gz UNBJOAKZKHSFHS-LPHOPBHVSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635454186 717171788 /nfs/dbraw/zinc/17/17/88/717171788.db2.gz UNBJOAKZKHSFHS-LPHOPBHVSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635452733 717172093 /nfs/dbraw/zinc/17/20/93/717172093.db2.gz IPSJNQCYQDTOCG-LJQANCHMSA-N 2 1 361.555 3.093 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000637965891 717395122 /nfs/dbraw/zinc/39/51/22/717395122.db2.gz WWQVGWNBADOFQM-UHFFFAOYSA-N 2 1 358.452 3.402 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295905 717431492 /nfs/dbraw/zinc/43/14/92/717431492.db2.gz YMFSDIGBBMWGLR-HKUYNNGSSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000638295905 717431497 /nfs/dbraw/zinc/43/14/97/717431497.db2.gz YMFSDIGBBMWGLR-HKUYNNGSSA-N 2 1 367.896 3.119 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000639258131 717538101 /nfs/dbraw/zinc/53/81/01/717538101.db2.gz ZXALTRPJYCFGSM-LBPRGKRZSA-N 2 1 352.276 3.412 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(F)cc32)CC1 ZINC000639292936 717541545 /nfs/dbraw/zinc/54/15/45/717541545.db2.gz CDKJOHNGGBPKDG-QGZVFWFLSA-N 2 1 350.478 3.253 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](Cc3cn4cc(Br)ccc4n3)C2)CC1 ZINC000639757318 717598850 /nfs/dbraw/zinc/59/88/50/717598850.db2.gz FXOSAAVAHDQGAY-UHFFFAOYSA-N 2 1 363.303 3.015 20 0 FGADMP CCS(=O)(=O)c1ccc(C[N@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640534099 717761062 /nfs/dbraw/zinc/76/10/62/717761062.db2.gz LMINGXASQKUQJF-UHFFFAOYSA-N 2 1 352.544 3.178 20 0 FGADMP CCS(=O)(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640534099 717761063 /nfs/dbraw/zinc/76/10/63/717761063.db2.gz LMINGXASQKUQJF-UHFFFAOYSA-N 2 1 352.544 3.178 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644525378 718119033 /nfs/dbraw/zinc/11/90/33/718119033.db2.gz BTKYQVNSANBJQF-JSGCOSHPSA-N 2 1 372.296 3.164 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@@H+](C)C1 ZINC000645159433 718188207 /nfs/dbraw/zinc/18/82/07/718188207.db2.gz ALONTSRWORKSLT-ROUUACIJSA-N 2 1 366.575 3.257 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1cccc(Cl)c1 ZINC000646381004 718282224 /nfs/dbraw/zinc/28/22/24/718282224.db2.gz GDOLBCSOXFBTKZ-AOIWGVFYSA-N 2 1 363.933 3.181 20 0 FGADMP Clc1ccccc1Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000647546151 718366913 /nfs/dbraw/zinc/36/69/13/718366913.db2.gz BDNIGOVAVBWWCL-ZWKOTPCHSA-N 2 1 358.917 3.406 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975865 718391090 /nfs/dbraw/zinc/39/10/90/718391090.db2.gz HBJYRXWCUVRSIE-ULQDDVLXSA-N 2 1 361.555 3.447 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976604 718391432 /nfs/dbraw/zinc/39/14/32/718391432.db2.gz QXJYXPDDNIMLCG-NJAFHUGGSA-N 2 1 363.933 3.056 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335725 718505175 /nfs/dbraw/zinc/50/51/75/718505175.db2.gz VAZYVDJLYMZYPS-RTBURBONSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335725 718505180 /nfs/dbraw/zinc/50/51/80/718505180.db2.gz VAZYVDJLYMZYPS-RTBURBONSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705469 718716803 /nfs/dbraw/zinc/71/68/03/718716803.db2.gz ICAHVLJCADIVBY-OIISXLGYSA-N 2 1 353.304 3.167 20 0 FGADMP COc1sc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1Br ZINC000650718113 718719154 /nfs/dbraw/zinc/71/91/54/718719154.db2.gz YLWXFIUDUCZJHJ-UHFFFAOYSA-N 2 1 359.264 3.407 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722940 718720624 /nfs/dbraw/zinc/72/06/24/718720624.db2.gz DZOXIBYHZFNIKC-COXVUDFISA-N 2 1 369.303 3.016 20 0 FGADMP CCCN(C(=O)NCCC[N@@H+](CC)C1CCCCC1)C1CC[NH2+]CC1 ZINC000652228101 718924325 /nfs/dbraw/zinc/92/43/25/718924325.db2.gz WJUSNDCOYKLSCJ-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349448 718935323 /nfs/dbraw/zinc/93/53/23/718935323.db2.gz OYGLSVIDZIOCFS-DDUZABMNSA-N 2 1 356.869 3.076 20 0 FGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350384 718935398 /nfs/dbraw/zinc/93/53/98/718935398.db2.gz WJFFIPBUXLUOPV-XYJFISCASA-N 2 1 367.331 3.476 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@H]3[NH2+]C[C@H]32)n1 ZINC001164450254 719000830 /nfs/dbraw/zinc/00/08/30/719000830.db2.gz SXDOZYVRVGJKSW-HUUCEWRRSA-N 2 1 359.543 3.091 20 0 FGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000781421350 724563012 /nfs/dbraw/zinc/56/30/12/724563012.db2.gz JBOUXCPAWHIXQX-BSDSXHPESA-N 2 1 356.432 3.454 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164638417 719257588 /nfs/dbraw/zinc/25/75/88/719257588.db2.gz YOXAKASSDXYQFA-QWHCGFSZSA-N 2 1 370.875 3.185 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164638417 719257591 /nfs/dbraw/zinc/25/75/91/719257591.db2.gz YOXAKASSDXYQFA-QWHCGFSZSA-N 2 1 370.875 3.185 20 0 FGADMP Cc1nc(-c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2)cs1 ZINC000655700062 719326610 /nfs/dbraw/zinc/32/66/10/719326610.db2.gz COOCLZOISCJJOQ-IBGZPJMESA-N 2 1 357.523 3.461 20 0 FGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1F ZINC000655717902 719329346 /nfs/dbraw/zinc/32/93/46/719329346.db2.gz FTGSHDDFMKBUOA-ZWKOTPCHSA-N 2 1 350.478 3.216 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1cccc(Cl)c1 ZINC000655728713 719330505 /nfs/dbraw/zinc/33/05/05/719330505.db2.gz AIINYMXLRGNRAU-DNVCBOLYSA-N 2 1 352.906 3.340 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(F)c(F)c2F)c2cccs2)CC1 ZINC000657287386 719618233 /nfs/dbraw/zinc/61/82/33/719618233.db2.gz ZJUYLJQPBPYMCV-HNNXBMFYSA-N 2 1 369.456 3.244 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657843918 719720181 /nfs/dbraw/zinc/72/01/81/719720181.db2.gz FETATACUHXUAFF-QGZVFWFLSA-N 2 1 358.448 3.463 20 0 FGADMP CO[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)C1CCCCC1 ZINC000659863305 719947186 /nfs/dbraw/zinc/94/71/86/719947186.db2.gz HSJYSGLWCQLITO-ZVDOUQERSA-N 2 1 351.579 3.072 20 0 FGADMP OC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010312 719971436 /nfs/dbraw/zinc/97/14/36/719971436.db2.gz IFXCDFGOKVMWAI-VQTJNVASSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010312 719971438 /nfs/dbraw/zinc/97/14/38/719971438.db2.gz IFXCDFGOKVMWAI-VQTJNVASSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010312 719971441 /nfs/dbraw/zinc/97/14/41/719971441.db2.gz IFXCDFGOKVMWAI-VQTJNVASSA-N 2 1 360.567 3.231 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1F ZINC000660119241 719992903 /nfs/dbraw/zinc/99/29/03/719992903.db2.gz ZRISXWSNAWEVBB-PVAVHDDUSA-N 2 1 356.482 3.240 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1F ZINC000660119241 719992907 /nfs/dbraw/zinc/99/29/07/719992907.db2.gz ZRISXWSNAWEVBB-PVAVHDDUSA-N 2 1 356.482 3.240 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660420 720094521 /nfs/dbraw/zinc/09/45/21/720094521.db2.gz VDPSTKZAUVGFNA-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660420 720094528 /nfs/dbraw/zinc/09/45/28/720094528.db2.gz VDPSTKZAUVGFNA-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660420 720094533 /nfs/dbraw/zinc/09/45/33/720094533.db2.gz VDPSTKZAUVGFNA-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1nc(-c3ccc(Cl)cc3)no1)C2 ZINC000660660420 720094539 /nfs/dbraw/zinc/09/45/39/720094539.db2.gz VDPSTKZAUVGFNA-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662397032 720424910 /nfs/dbraw/zinc/42/49/10/720424910.db2.gz SSHZXLRGEUUGOE-GUYCJALGSA-N 2 1 370.324 3.341 20 0 FGADMP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000662397562 720425017 /nfs/dbraw/zinc/42/50/17/720425017.db2.gz GRISLJJXZWNSAD-UHFFFAOYSA-N 2 1 361.555 3.122 20 0 FGADMP CC(C)[NH2+]CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662452969 720430397 /nfs/dbraw/zinc/43/03/97/720430397.db2.gz YIQXKWJHQBZSNW-UHFFFAOYSA-N 2 1 358.313 3.072 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662482060 720433609 /nfs/dbraw/zinc/43/36/09/720433609.db2.gz RSRAVELLADPKTC-CXAGYDPISA-N 2 1 372.340 3.444 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662524145 720438052 /nfs/dbraw/zinc/43/80/52/720438052.db2.gz UKDSDDFSFKHXGL-CJNGLKHVSA-N 2 1 370.335 3.076 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc4[nH]ccc4c[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164834898 720515939 /nfs/dbraw/zinc/51/59/39/720515939.db2.gz HXCMWUJKWLKKBC-WSTZPKSXSA-N 2 1 364.497 3.137 20 0 FGADMP Brc1cccc([C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C2CCOCC2)c1 ZINC000665279457 720749551 /nfs/dbraw/zinc/74/95/51/720749551.db2.gz CTQRZOQCRDTFHC-VXVMZULRSA-N 2 1 365.315 3.258 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762009 721168232 /nfs/dbraw/zinc/16/82/32/721168232.db2.gz BRGIRPAXHHKHFU-WOJBJXKFSA-N 2 1 361.493 3.235 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]1 ZINC001164762009 721168237 /nfs/dbraw/zinc/16/82/37/721168237.db2.gz BRGIRPAXHHKHFU-WOJBJXKFSA-N 2 1 361.493 3.235 20 0 FGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586997 721314997 /nfs/dbraw/zinc/31/49/97/721314997.db2.gz IHIASNZUGCXEDV-FUHWJXTLSA-N 2 1 364.555 3.190 20 0 FGADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586997 721315003 /nfs/dbraw/zinc/31/50/03/721315003.db2.gz IHIASNZUGCXEDV-FUHWJXTLSA-N 2 1 364.555 3.190 20 0 FGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586999 721315215 /nfs/dbraw/zinc/31/52/15/721315215.db2.gz IHIASNZUGCXEDV-WMZOPIPTSA-N 2 1 364.555 3.190 20 0 FGADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586999 721315222 /nfs/dbraw/zinc/31/52/22/721315222.db2.gz IHIASNZUGCXEDV-WMZOPIPTSA-N 2 1 364.555 3.190 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000674047993 721681078 /nfs/dbraw/zinc/68/10/78/721681078.db2.gz VUETZEACXXSLGT-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000674047993 721681080 /nfs/dbraw/zinc/68/10/80/721681080.db2.gz VUETZEACXXSLGT-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047993 721681082 /nfs/dbraw/zinc/68/10/82/721681082.db2.gz VUETZEACXXSLGT-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047993 721681083 /nfs/dbraw/zinc/68/10/83/721681083.db2.gz VUETZEACXXSLGT-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCC(C)(F)F ZINC000674308568 721686754 /nfs/dbraw/zinc/68/67/54/721686754.db2.gz GEAGWLJUGLBILV-UHFFFAOYSA-N 2 1 359.505 3.077 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000674881028 721718615 /nfs/dbraw/zinc/71/86/15/721718615.db2.gz XFXCYILYMSKYRT-GOSISDBHSA-N 2 1 357.523 3.156 20 0 FGADMP Brc1cscc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000685411556 722383592 /nfs/dbraw/zinc/38/35/92/722383592.db2.gz GHCLMGYHWLOUPU-UHFFFAOYSA-N 2 1 373.360 3.445 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000708529237 722412892 /nfs/dbraw/zinc/41/28/92/722412892.db2.gz JPFFHGDJQJFVLQ-UBDQQSCGSA-N 2 1 356.432 3.454 20 0 FGADMP CC(C)[C@@H](C)[N@H+]1Cc2ccc(NC(=S)NC3CC[NH+](C)CC3)cc2C1 ZINC000726496570 722435650 /nfs/dbraw/zinc/43/56/50/722435650.db2.gz ZIQYEICITHCGLR-OAHLLOKOSA-N 2 1 360.571 3.427 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000732448578 722484888 /nfs/dbraw/zinc/48/48/88/722484888.db2.gz GUHMTNYLRSQEHF-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000733753326 722500575 /nfs/dbraw/zinc/50/05/75/722500575.db2.gz KNPSNQFALQEVMJ-MSOLQXFVSA-N 2 1 368.635 3.035 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347365 722725521 /nfs/dbraw/zinc/72/55/21/722725521.db2.gz WLGJOOYLFONFRS-QGTPRVQTSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347365 722725524 /nfs/dbraw/zinc/72/55/24/722725524.db2.gz WLGJOOYLFONFRS-QGTPRVQTSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347365 722725526 /nfs/dbraw/zinc/72/55/26/722725526.db2.gz WLGJOOYLFONFRS-QGTPRVQTSA-N 2 1 358.448 3.271 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1C ZINC000751010094 722790681 /nfs/dbraw/zinc/79/06/81/722790681.db2.gz HIICKXZYHIYGQT-GOSISDBHSA-N 2 1 362.587 3.348 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000754183850 722930832 /nfs/dbraw/zinc/93/08/32/722930832.db2.gz OMSKZTDAEFSSCT-QGZVFWFLSA-N 2 1 350.507 3.255 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000793330603 723425744 /nfs/dbraw/zinc/42/57/44/723425744.db2.gz JWKGZRVEADMBNL-WMZOPIPTSA-N 2 1 351.535 3.264 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000765798467 723541814 /nfs/dbraw/zinc/54/18/14/723541814.db2.gz SBRBOWCGLSKDOW-DZGCQCFKSA-N 2 1 371.497 3.239 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000796739062 723652734 /nfs/dbraw/zinc/65/27/34/723652734.db2.gz PEOUUDRNYCNZDG-BZSNNMDCSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+](Cc1ccccc1I)CC1CC[NH+](C)CC1 ZINC000769330940 723682626 /nfs/dbraw/zinc/68/26/26/723682626.db2.gz SGAVLAUEZHDJSX-UHFFFAOYSA-N 2 1 358.267 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769556338 723689699 /nfs/dbraw/zinc/68/96/99/723689699.db2.gz ZLLJIFZWOVAPDP-IBGZPJMESA-N 2 1 360.571 3.096 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769922068 723700926 /nfs/dbraw/zinc/70/09/26/723700926.db2.gz VKHZCNIVZOXKPG-QGZVFWFLSA-N 2 1 350.507 3.255 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000769922067 723700973 /nfs/dbraw/zinc/70/09/73/723700973.db2.gz VKHZCNIVZOXKPG-KRWDZBQOSA-N 2 1 350.507 3.255 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000771370408 723733702 /nfs/dbraw/zinc/73/37/02/723733702.db2.gz LCHBCXFXEKYHFN-HOCLYGCPSA-N 2 1 364.946 3.436 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000773016225 723774589 /nfs/dbraw/zinc/77/45/89/723774589.db2.gz WNAVFVKURGLZPO-JLSDUUJJSA-N 2 1 372.912 3.239 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000773016225 723774590 /nfs/dbraw/zinc/77/45/90/723774590.db2.gz WNAVFVKURGLZPO-JLSDUUJJSA-N 2 1 372.912 3.239 20 0 FGADMP C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000797981648 723894734 /nfs/dbraw/zinc/89/47/34/723894734.db2.gz SDEZEVVVBYUREZ-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000798956740 723979435 /nfs/dbraw/zinc/97/94/35/723979435.db2.gz MAUOPWADXXHXFV-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178338 723995272 /nfs/dbraw/zinc/99/52/72/723995272.db2.gz UHEQMLUDHFQOAW-INIZCTEOSA-N 2 1 363.933 3.325 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178911 723995583 /nfs/dbraw/zinc/99/55/83/723995583.db2.gz QRSAKSSPIVSJNV-INIZCTEOSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000788467899 725065976 /nfs/dbraw/zinc/06/59/76/725065976.db2.gz AWBCVNFSHIOSOD-UHFFFAOYSA-N 2 1 357.420 3.308 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809950997 725277857 /nfs/dbraw/zinc/27/78/57/725277857.db2.gz UWIILXFKNBFMTJ-BEFAXECRSA-N 2 1 367.534 3.214 20 0 FGADMP C[N@@H+](CCOC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448561 725365853 /nfs/dbraw/zinc/36/58/53/725365853.db2.gz XFHKKXWIRHWDRN-IBGZPJMESA-N 2 1 354.441 3.013 20 0 FGADMP C[NH+](CCOC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448561 725365855 /nfs/dbraw/zinc/36/58/55/725365855.db2.gz XFHKKXWIRHWDRN-IBGZPJMESA-N 2 1 354.441 3.013 20 0 FGADMP C[NH+](CCOC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000811448561 725365856 /nfs/dbraw/zinc/36/58/56/725365856.db2.gz XFHKKXWIRHWDRN-IBGZPJMESA-N 2 1 354.441 3.013 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468102 725367666 /nfs/dbraw/zinc/36/76/66/725367666.db2.gz ZSXNXBLDQPHHGY-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468102 725367669 /nfs/dbraw/zinc/36/76/69/725367669.db2.gz ZSXNXBLDQPHHGY-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468102 725367671 /nfs/dbraw/zinc/36/76/71/725367671.db2.gz ZSXNXBLDQPHHGY-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)c3ccccc3)CC2)cs1 ZINC000819049417 727342164 /nfs/dbraw/zinc/34/21/64/727342164.db2.gz JJHMWKOGAMAGTD-LJQANCHMSA-N 2 1 359.539 3.241 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(F)=C1CCC1 ZINC000819361361 727371116 /nfs/dbraw/zinc/37/11/16/727371116.db2.gz PGRDTVFWAJDIFU-UHFFFAOYSA-N 2 1 351.510 3.049 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820869964 729039324 /nfs/dbraw/zinc/03/93/24/729039324.db2.gz ZPPCGQASATWBGV-RDBSUJKOSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820869964 729039329 /nfs/dbraw/zinc/03/93/29/729039329.db2.gz ZPPCGQASATWBGV-RDBSUJKOSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869964 729039331 /nfs/dbraw/zinc/03/93/31/729039331.db2.gz ZPPCGQASATWBGV-RDBSUJKOSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869964 729039334 /nfs/dbraw/zinc/03/93/34/729039334.db2.gz ZPPCGQASATWBGV-RDBSUJKOSA-N 2 1 367.456 3.247 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000823413908 729277941 /nfs/dbraw/zinc/27/79/41/729277941.db2.gz OAKHEWWDJPQBBO-JKSUJKDBSA-N 2 1 350.507 3.386 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823649874 729295989 /nfs/dbraw/zinc/29/59/89/729295989.db2.gz VKWQSULGWNEMGD-JFIYKMOQSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000824439676 729338431 /nfs/dbraw/zinc/33/84/31/729338431.db2.gz PRPVXSFMTGZPIJ-PXNSSMCTSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000824439676 729338432 /nfs/dbraw/zinc/33/84/32/729338432.db2.gz PRPVXSFMTGZPIJ-PXNSSMCTSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000824439676 729338434 /nfs/dbraw/zinc/33/84/34/729338434.db2.gz PRPVXSFMTGZPIJ-PXNSSMCTSA-N 2 1 353.551 3.201 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827574114 729431971 /nfs/dbraw/zinc/43/19/71/729431971.db2.gz YAZLRDCONWFZEG-XJKSGUPXSA-N 2 1 366.937 3.060 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834496808 729807974 /nfs/dbraw/zinc/80/79/74/729807974.db2.gz QZMQVYGKCSCQBP-MSOLQXFVSA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566639 729815127 /nfs/dbraw/zinc/81/51/27/729815127.db2.gz PTLVZAFTUVTONT-OKZBNKHCSA-N 2 1 353.551 3.484 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909770 729845581 /nfs/dbraw/zinc/84/55/81/729845581.db2.gz UFOCRGYOCFXXDZ-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810933 730177626 /nfs/dbraw/zinc/17/76/26/730177626.db2.gz WQCOSOPLNOKHIT-FGTMMUONSA-N 2 1 353.551 3.391 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C2)nn1 ZINC000841100436 730211439 /nfs/dbraw/zinc/21/14/39/730211439.db2.gz YGLKKIXDLWFMAS-CQSZACIVSA-N 2 1 371.432 3.186 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363877 730610930 /nfs/dbraw/zinc/61/09/30/730610930.db2.gz HAWQMOGKNJKVSW-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1c(Cl)cccc1Cl ZINC000843364236 730610946 /nfs/dbraw/zinc/61/09/46/730610946.db2.gz VNIQIPJBAGJSNR-UHFFFAOYSA-N 2 1 356.297 3.398 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363812 730611133 /nfs/dbraw/zinc/61/11/33/730611133.db2.gz BHXLHXUCRKDZRI-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=[NH2+])NC2CC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849079415 731226769 /nfs/dbraw/zinc/22/67/69/731226769.db2.gz NISZKFBCUFVTSE-CJNGLKHVSA-N 2 1 354.420 3.365 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849087451 731227506 /nfs/dbraw/zinc/22/75/06/731227506.db2.gz NKTIQQRZOYGVTR-HNNXBMFYSA-N 2 1 356.436 3.297 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000850357642 731348026 /nfs/dbraw/zinc/34/80/26/731348026.db2.gz QJBAGPAXARHCPZ-OKZBNKHCSA-N 2 1 356.432 3.464 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)[C@@H]2CCC[C@@H]21 ZINC000850522654 731368877 /nfs/dbraw/zinc/36/88/77/731368877.db2.gz KOEBJQOQOCXUNU-ULQDDVLXSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534302 731370130 /nfs/dbraw/zinc/37/01/30/731370130.db2.gz LJASAKXJZBJTKH-KANFNMMFSA-N 2 1 350.453 3.301 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000859351421 732315661 /nfs/dbraw/zinc/31/56/61/732315661.db2.gz GZMJFPONSLIKBM-UHFFFAOYSA-N 2 1 366.622 3.252 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868103238 733556450 /nfs/dbraw/zinc/55/64/50/733556450.db2.gz QCQAHUMUAJIUFZ-ZJRDLVKKSA-N 2 1 352.567 3.203 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872064070 735583172 /nfs/dbraw/zinc/58/31/72/735583172.db2.gz WKNBNSBQRMYORJ-RHSMWYFYSA-N 2 1 364.287 3.093 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000876896754 736159484 /nfs/dbraw/zinc/15/94/84/736159484.db2.gz MDOOZCGOSWNVRH-GKVSMKOHSA-N 2 1 368.458 3.331 20 0 FGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876898066 736160225 /nfs/dbraw/zinc/16/02/25/736160225.db2.gz ZAIFLURXDJYVFL-SSOJOUAXSA-N 2 1 368.458 3.331 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000877976913 736751443 /nfs/dbraw/zinc/75/14/43/736751443.db2.gz RPWCLCWCNVYYQY-HXUWFJFHSA-N 2 1 352.563 3.406 20 0 FGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000879209709 736968996 /nfs/dbraw/zinc/96/89/96/736968996.db2.gz OBBCRYHTXYYAJJ-IBGZPJMESA-N 2 1 350.547 3.303 20 0 FGADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000879209711 736969074 /nfs/dbraw/zinc/96/90/74/736969074.db2.gz OBBCRYHTXYYAJJ-LJQANCHMSA-N 2 1 350.547 3.303 20 0 FGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000880254914 737142659 /nfs/dbraw/zinc/14/26/59/737142659.db2.gz SIZZOWWVVPFHFK-IBGZPJMESA-N 2 1 352.563 3.021 20 0 FGADMP C(=C\C[N@H+]1CC[C@@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319181 737154684 /nfs/dbraw/zinc/15/46/84/737154684.db2.gz CCPUHYXATKEPEP-QZLXFXEDSA-N 2 1 360.552 3.435 20 0 FGADMP C(=C\C[N@@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319181 737154693 /nfs/dbraw/zinc/15/46/93/737154693.db2.gz CCPUHYXATKEPEP-QZLXFXEDSA-N 2 1 360.552 3.435 20 0 FGADMP C(=C\C[N@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319181 737154700 /nfs/dbraw/zinc/15/47/00/737154700.db2.gz CCPUHYXATKEPEP-QZLXFXEDSA-N 2 1 360.552 3.435 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)[C@H]1CCCOC1 ZINC000883192975 737533818 /nfs/dbraw/zinc/53/38/18/737533818.db2.gz LTBSRWPFUUZPTJ-LSTDLKDCSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCCOC1 ZINC000883192975 737533824 /nfs/dbraw/zinc/53/38/24/737533824.db2.gz LTBSRWPFUUZPTJ-LSTDLKDCSA-N 2 1 352.544 3.162 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000891745030 739933458 /nfs/dbraw/zinc/93/34/58/739933458.db2.gz DSQNBQKFMGVVFE-HDICACEKSA-N 2 1 353.551 3.342 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893966483 742220368 /nfs/dbraw/zinc/22/03/68/742220368.db2.gz BKXSVKZSRFJXMC-CQSZACIVSA-N 2 1 363.493 3.341 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893966483 742220372 /nfs/dbraw/zinc/22/03/72/742220372.db2.gz BKXSVKZSRFJXMC-CQSZACIVSA-N 2 1 363.493 3.341 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000903726204 743879440 /nfs/dbraw/zinc/87/94/40/743879440.db2.gz KPSZBMOJHQWYEQ-MRXNPFEDSA-N 2 1 350.528 3.008 20 0 FGADMP FC(F)(F)c1ccnc([C@@H]2CC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903827847 743886846 /nfs/dbraw/zinc/88/68/46/743886846.db2.gz YRQASJYZJCTQKR-NUDNTCICSA-N 2 1 354.420 3.205 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OCC(C)C ZINC000903955598 743904628 /nfs/dbraw/zinc/90/46/28/743904628.db2.gz WXWSQYPNYSRMHE-INIZCTEOSA-N 2 1 356.457 3.455 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OCC(C)C ZINC000903955599 743904758 /nfs/dbraw/zinc/90/47/58/743904758.db2.gz WXWSQYPNYSRMHE-MRXNPFEDSA-N 2 1 356.457 3.455 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969689 743906634 /nfs/dbraw/zinc/90/66/34/743906634.db2.gz JBYCYNXCZTUEPR-RHSMWYFYSA-N 2 1 356.432 3.385 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371865 743950020 /nfs/dbraw/zinc/95/00/20/743950020.db2.gz VGFVTFVBZAKLEX-WNRNVDISSA-N 2 1 351.535 3.225 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccsc3)CC2(C)C)CC[N@H+]1C ZINC000940757148 762159902 /nfs/dbraw/zinc/15/99/02/762159902.db2.gz TUUHWZAQFWQOPT-RCCFBDPRSA-N 2 1 363.571 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccsc3)CC2(C)C)CC[NH+]1C ZINC000940757148 762159905 /nfs/dbraw/zinc/15/99/05/762159905.db2.gz TUUHWZAQFWQOPT-RCCFBDPRSA-N 2 1 363.571 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccsc3)CC2(C)C)CC[NH+]1C ZINC000940757148 762159910 /nfs/dbraw/zinc/15/99/10/762159910.db2.gz TUUHWZAQFWQOPT-RCCFBDPRSA-N 2 1 363.571 3.195 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000921774720 758793417 /nfs/dbraw/zinc/79/34/17/758793417.db2.gz LLUJXXCEKNPYQP-SJORKVTESA-N 2 1 350.507 3.255 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)cc1)C2 ZINC000922388383 758910041 /nfs/dbraw/zinc/91/00/41/758910041.db2.gz PLGQKSVZMGDBQC-BDXSIMOUSA-N 2 1 367.331 3.018 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@@H]1C(C)C ZINC000922391831 758911235 /nfs/dbraw/zinc/91/12/35/758911235.db2.gz ACUAGDYWBZRLIF-DZJHOTPTSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(Cl)c(C)c3)C2)[C@@H]1C(C)C ZINC000922393605 758912519 /nfs/dbraw/zinc/91/25/19/758912519.db2.gz MLGTYMRYLFNWBA-VXIBKDFQSA-N 2 1 351.922 3.003 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496372 759132139 /nfs/dbraw/zinc/13/21/39/759132139.db2.gz BPBWOQLDKYCFLX-DGCLKSJQSA-N 2 1 354.376 3.172 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000924965922 759424277 /nfs/dbraw/zinc/42/42/77/759424277.db2.gz QITFTORYGBQSOJ-CHWSQXEVSA-N 2 1 362.358 3.493 20 0 FGADMP FC(F)(F)CCC(CCC(F)(F)F)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000924965922 759424281 /nfs/dbraw/zinc/42/42/81/759424281.db2.gz QITFTORYGBQSOJ-CHWSQXEVSA-N 2 1 362.358 3.493 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000925139240 759454253 /nfs/dbraw/zinc/45/42/53/759454253.db2.gz FQFZJAIUQXYPQW-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000925139240 759454257 /nfs/dbraw/zinc/45/42/57/759454257.db2.gz FQFZJAIUQXYPQW-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573943 759507304 /nfs/dbraw/zinc/50/73/04/759507304.db2.gz QTVKYGCRFGHCPE-DLBZAZTESA-N 3 1 364.603 3.413 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000925776956 759534629 /nfs/dbraw/zinc/53/46/29/759534629.db2.gz BKXWVILMUYUJJC-JQWIXIFHSA-N 2 1 363.246 3.353 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OC(F)F ZINC000925779407 759535566 /nfs/dbraw/zinc/53/55/66/759535566.db2.gz NBAOESPELREVAR-JQWIXIFHSA-N 2 1 350.356 3.192 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cnn1-c1ccc(F)cc1 ZINC000925781744 759535743 /nfs/dbraw/zinc/53/57/43/759535743.db2.gz JPWNYVAUOAZHMC-GXTWGEPZSA-N 2 1 352.404 3.215 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926124619 759657116 /nfs/dbraw/zinc/65/71/16/759657116.db2.gz HSEGRRWCXMGOPZ-VQIMIIECSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926124619 759657118 /nfs/dbraw/zinc/65/71/18/759657118.db2.gz HSEGRRWCXMGOPZ-VQIMIIECSA-N 2 1 357.885 3.079 20 0 FGADMP C[NH+]1C[C@@]2(C)C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@]2(C)C1 ZINC000931310707 760826170 /nfs/dbraw/zinc/82/61/70/760826170.db2.gz MFWUYXDLUBERAR-OALUTQOASA-N 2 1 360.889 3.206 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000931348480 760835249 /nfs/dbraw/zinc/83/52/49/760835249.db2.gz HEKKMYPNSAHYAI-YJBOKZPZSA-N 2 1 354.922 3.195 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932210162 761089375 /nfs/dbraw/zinc/08/93/75/761089375.db2.gz RNGAYZCEQNLRAM-OAHLLOKOSA-N 2 1 350.260 3.229 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@H+]1C ZINC000968728312 762841481 /nfs/dbraw/zinc/84/14/81/762841481.db2.gz IAZXFWXKZRYCDH-CSMYWGQOSA-N 2 1 370.324 3.024 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cccc(Cl)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995825024 764970602 /nfs/dbraw/zinc/97/06/02/764970602.db2.gz MKJMDXTWRCNQBD-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001001423549 765286974 /nfs/dbraw/zinc/28/69/74/765286974.db2.gz CXTYUPBNAKOPPE-RBUKOAKNSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3C/C=C\Cl)CC2)CC[N@H+]1C ZINC001004453921 765432681 /nfs/dbraw/zinc/43/26/81/765432681.db2.gz XUKPNMZULFGHTI-AXMKMONVSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@@H+]3C/C=C\Cl)CC2)CC[NH+]1C ZINC001004453921 765432685 /nfs/dbraw/zinc/43/26/85/765432685.db2.gz XUKPNMZULFGHTI-AXMKMONVSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CCC[N@H+]3C/C=C\Cl)CC2)CC[NH+]1C ZINC001004453921 765432689 /nfs/dbraw/zinc/43/26/89/765432689.db2.gz XUKPNMZULFGHTI-AXMKMONVSA-N 2 1 367.965 3.172 20 0 FGADMP CC[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001020171997 765866414 /nfs/dbraw/zinc/86/64/14/765866414.db2.gz HYDVALXSNCMSPH-PYJZQUQOSA-N 2 1 363.933 3.368 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC001022104104 765974153 /nfs/dbraw/zinc/97/41/53/765974153.db2.gz VQDSRSDLDAPGBB-BQDHKBFISA-N 2 1 370.324 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001022106059 765974371 /nfs/dbraw/zinc/97/43/71/765974371.db2.gz DTWWDKBMTHIKEX-DHBZOUTCSA-N 2 1 363.933 3.368 20 0 FGADMP Cc1cc(C[NH+](C)[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416241 766092490 /nfs/dbraw/zinc/09/24/90/766092490.db2.gz CGZKJZUDNADTFJ-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416241 766092498 /nfs/dbraw/zinc/09/24/98/766092498.db2.gz CGZKJZUDNADTFJ-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@H+](C)[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001027416241 766092504 /nfs/dbraw/zinc/09/25/04/766092504.db2.gz CGZKJZUDNADTFJ-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001034649353 766243301 /nfs/dbraw/zinc/24/33/01/766243301.db2.gz GPGOYEDXXPMADM-CADBVGFASA-N 2 1 363.571 3.304 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)[NH+](C)C)cc1 ZINC000072041961 221399066 /nfs/dbraw/zinc/39/90/66/221399066.db2.gz WEHOWYIRNVFVBS-ICSRJNTNSA-N 2 1 360.546 3.161 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567898801 505570975 /nfs/dbraw/zinc/57/09/75/505570975.db2.gz BPCCRYQEKQEUOI-UONOGXRCSA-N 2 1 366.431 3.414 20 0 FGADMP CC[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000576694516 505572119 /nfs/dbraw/zinc/57/21/19/505572119.db2.gz ABEUFBPLVNDKNN-AWEZNQCLSA-N 2 1 374.266 3.094 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](c2nccn2C)C1)c1cc2ccccc2o1 ZINC000579608438 505586055 /nfs/dbraw/zinc/58/60/55/505586055.db2.gz TVJQOYADZLODPL-ZOBUZTSGSA-N 2 1 366.465 3.222 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1)c1cc2ccccc2o1 ZINC000579608438 505586060 /nfs/dbraw/zinc/58/60/60/505586060.db2.gz TVJQOYADZLODPL-ZOBUZTSGSA-N 2 1 366.465 3.222 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000567993958 505592137 /nfs/dbraw/zinc/59/21/37/505592137.db2.gz MBRRYWQUIAVAIC-UHFFFAOYSA-N 2 1 358.530 3.019 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc2)no1 ZINC000568035836 505600566 /nfs/dbraw/zinc/60/05/66/505600566.db2.gz NNPJWZIHFLWHDM-LJQANCHMSA-N 2 1 370.497 3.121 20 0 FGADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000576834647 505605981 /nfs/dbraw/zinc/60/59/81/505605981.db2.gz NGGLGZYECQJGSA-GFCCVEGCSA-N 2 1 352.276 3.475 20 0 FGADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000571004403 505630888 /nfs/dbraw/zinc/63/08/88/505630888.db2.gz QCOFNTLCADEDQL-SFHVURJKSA-N 2 1 361.449 3.118 20 0 FGADMP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000571004403 505630889 /nfs/dbraw/zinc/63/08/89/505630889.db2.gz QCOFNTLCADEDQL-SFHVURJKSA-N 2 1 361.449 3.118 20 0 FGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163909 505631743 /nfs/dbraw/zinc/63/17/43/505631743.db2.gz DQWLPQCXLHMNRD-QZTJIDSGSA-N 2 1 358.530 3.109 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163909 505631747 /nfs/dbraw/zinc/63/17/47/505631747.db2.gz DQWLPQCXLHMNRD-QZTJIDSGSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163909 505631751 /nfs/dbraw/zinc/63/17/51/505631751.db2.gz DQWLPQCXLHMNRD-QZTJIDSGSA-N 2 1 358.530 3.109 20 0 FGADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C(C)C)C1 ZINC000568163909 505631754 /nfs/dbraw/zinc/63/17/54/505631754.db2.gz DQWLPQCXLHMNRD-QZTJIDSGSA-N 2 1 358.530 3.109 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000573843486 505633663 /nfs/dbraw/zinc/63/36/63/505633663.db2.gz PRDFZQCDVUPYQQ-UWHLTILDSA-N 2 1 355.526 3.017 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879371 505637555 /nfs/dbraw/zinc/63/75/55/505637555.db2.gz BVSFUTVWGULGFC-FXAWDEMLSA-N 2 1 361.505 3.199 20 0 FGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000577106127 505665357 /nfs/dbraw/zinc/66/53/57/505665357.db2.gz HGYIVXCKVRJAOK-HNNXBMFYSA-N 2 1 374.356 3.386 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000568319048 505665422 /nfs/dbraw/zinc/66/54/22/505665422.db2.gz NHRSYTUHPPKNQF-CYBMUJFWSA-N 2 1 361.299 3.077 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000568319049 505665517 /nfs/dbraw/zinc/66/55/17/505665517.db2.gz NHRSYTUHPPKNQF-ZDUSSCGKSA-N 2 1 361.299 3.077 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000574009423 505672715 /nfs/dbraw/zinc/67/27/15/505672715.db2.gz IIDNPBPUOOJAHD-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574009423 505672717 /nfs/dbraw/zinc/67/27/17/505672717.db2.gz IIDNPBPUOOJAHD-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574009423 505672720 /nfs/dbraw/zinc/67/27/20/505672720.db2.gz IIDNPBPUOOJAHD-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(OC)c(Cl)c2)CC1 ZINC000057847040 493808475 /nfs/dbraw/zinc/80/84/75/493808475.db2.gz QRQSTWUAAUNLJX-UHFFFAOYSA-N 2 1 367.921 3.341 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110016 493824439 /nfs/dbraw/zinc/82/44/39/493824439.db2.gz HLHRQNPJPRSDJI-FQEVSTJZSA-N 2 1 351.494 3.469 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110016 493824444 /nfs/dbraw/zinc/82/44/44/493824444.db2.gz HLHRQNPJPRSDJI-FQEVSTJZSA-N 2 1 351.494 3.469 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110016 493824448 /nfs/dbraw/zinc/82/44/48/493824448.db2.gz HLHRQNPJPRSDJI-FQEVSTJZSA-N 2 1 351.494 3.469 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028924 493893230 /nfs/dbraw/zinc/89/32/30/493893230.db2.gz AOUQWEDFNWNRCP-ICSRJNTNSA-N 2 1 371.550 3.379 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N=c2[nH]c3c(s2)C[N@H+](CC)CC3)cc1 ZINC000030560522 493898368 /nfs/dbraw/zinc/89/83/68/493898368.db2.gz DMOJUVALGDNIET-UHFFFAOYSA-N 2 1 372.538 3.037 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N=c2[nH]c3c(s2)C[N@@H+](CC)CC3)cc1 ZINC000030560522 493898369 /nfs/dbraw/zinc/89/83/69/493898369.db2.gz DMOJUVALGDNIET-UHFFFAOYSA-N 2 1 372.538 3.037 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OCc1cccnc1 ZINC000030906891 493912732 /nfs/dbraw/zinc/91/27/32/493912732.db2.gz AJUSGOSKDDMGRK-GOSISDBHSA-N 2 1 367.493 3.243 20 0 FGADMP COC(=O)c1oc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1C ZINC000574084882 505689674 /nfs/dbraw/zinc/68/96/74/505689674.db2.gz USCYTMBUYMFYJA-MOPGFXCFSA-N 2 1 368.477 3.329 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000060894184 493957832 /nfs/dbraw/zinc/95/78/32/493957832.db2.gz MVUJGCKMTQZBIS-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000062355587 494010276 /nfs/dbraw/zinc/01/02/76/494010276.db2.gz SHSPIZMVDBPQHD-LEWJYISDSA-N 2 1 351.494 3.243 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000062505503 494014821 /nfs/dbraw/zinc/01/48/21/494014821.db2.gz LJIKAKSQVCAGHE-ZWKOTPCHSA-N 2 1 360.546 3.200 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000063651721 494074300 /nfs/dbraw/zinc/07/43/00/494074300.db2.gz PAXCELGULSCEGZ-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000571300791 505702207 /nfs/dbraw/zinc/70/22/07/505702207.db2.gz SWTSIFYDGIYZRY-PGRDOPGGSA-N 2 1 372.557 3.107 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086426449 494153472 /nfs/dbraw/zinc/15/34/72/494153472.db2.gz BLZLEICIHYYWMN-INIZCTEOSA-N 2 1 357.502 3.273 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086426449 494153480 /nfs/dbraw/zinc/15/34/80/494153480.db2.gz BLZLEICIHYYWMN-INIZCTEOSA-N 2 1 357.502 3.273 20 0 FGADMP Cc1ccc(COc2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)cc1 ZINC000065274823 494185200 /nfs/dbraw/zinc/18/52/00/494185200.db2.gz QNJJVSFCQXYDEB-OAQYLSRUSA-N 2 1 354.494 3.120 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000078209522 494256116 /nfs/dbraw/zinc/25/61/16/494256116.db2.gz NEHRDZARCPFWFU-PWRODBHTSA-N 2 1 355.526 3.085 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245610 505712179 /nfs/dbraw/zinc/71/21/79/505712179.db2.gz WNMRVZRZFUTGIM-NRFANRHFSA-N 2 1 354.542 3.391 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523022 494313768 /nfs/dbraw/zinc/31/37/68/494313768.db2.gz DPHBWSBREUBWOS-VQTJNVASSA-N 2 1 366.594 3.163 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000073550754 494388599 /nfs/dbraw/zinc/38/85/99/494388599.db2.gz KKOCWUKXRVLMBO-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000066704786 494389058 /nfs/dbraw/zinc/38/90/58/494389058.db2.gz XEIRGPYGZJKZFK-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc(NC(N)=O)cc1 ZINC000079003270 494390931 /nfs/dbraw/zinc/39/09/31/494390931.db2.gz JMVCRMRZSDUONM-INIZCTEOSA-N 2 1 352.482 3.492 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000079389771 494445095 /nfs/dbraw/zinc/44/50/95/494445095.db2.gz JTZZGQKFZPJONK-FQEVSTJZSA-N 2 1 366.594 3.452 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)on1 ZINC000056155019 494463359 /nfs/dbraw/zinc/46/33/59/494463359.db2.gz MMAHCWSUBHGZMA-QGZVFWFLSA-N 2 1 370.497 3.332 20 0 FGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000574204535 505719693 /nfs/dbraw/zinc/71/96/93/505719693.db2.gz KKUADEBPAQENLD-NRFANRHFSA-N 2 1 365.521 3.150 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000090524375 494478651 /nfs/dbraw/zinc/47/86/51/494478651.db2.gz UHZDOFFFKFPQQT-ZRCAFCQKSA-N 2 1 363.521 3.310 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000090586821 494484403 /nfs/dbraw/zinc/48/44/03/494484403.db2.gz KHBHYXKJAJPMFV-IRXDYDNUSA-N 2 1 367.559 3.077 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000074188402 494494054 /nfs/dbraw/zinc/49/40/54/494494054.db2.gz VLHKSDWHLUDYFS-MRXNPFEDSA-N 2 1 360.527 3.411 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000074318575 494517238 /nfs/dbraw/zinc/51/72/38/494517238.db2.gz KEPYIMGIDBQOAZ-FQEVSTJZSA-N 2 1 355.526 3.086 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523313 494519682 /nfs/dbraw/zinc/51/96/82/494519682.db2.gz FTKQWMDWZJRNSL-CYBMUJFWSA-N 2 1 355.885 3.470 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524022 494520132 /nfs/dbraw/zinc/52/01/32/494520132.db2.gz XRDUJOXOBQINLE-AWEZNQCLSA-N 2 1 369.456 3.279 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067455975 494545583 /nfs/dbraw/zinc/54/55/83/494545583.db2.gz XXPFKQLOLVKVQV-FQEVSTJZSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000092360833 494605503 /nfs/dbraw/zinc/60/55/03/494605503.db2.gz BVMSHIJNCAMODY-NRFANRHFSA-N 2 1 365.525 3.182 20 0 FGADMP Cc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1C ZINC000092360833 494605510 /nfs/dbraw/zinc/60/55/10/494605510.db2.gz BVMSHIJNCAMODY-NRFANRHFSA-N 2 1 365.525 3.182 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000074856583 494626138 /nfs/dbraw/zinc/62/61/38/494626138.db2.gz OAGFPFSDZWMQFI-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115828593 494635316 /nfs/dbraw/zinc/63/53/16/494635316.db2.gz UEVQKDKUFDROMG-ZWKOTPCHSA-N 2 1 360.546 3.099 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057137800 494654026 /nfs/dbraw/zinc/65/40/26/494654026.db2.gz DWVPYMPGCQZDDJ-QFIPXVFZSA-N 2 1 365.521 3.277 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121290068 494685206 /nfs/dbraw/zinc/68/52/06/494685206.db2.gz RIVOQIAIDWNUME-MRXNPFEDSA-N 2 1 369.513 3.414 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000580340629 505736383 /nfs/dbraw/zinc/73/63/83/505736383.db2.gz VLJPTCBURZVZDZ-YESZJQIVSA-N 2 1 360.889 3.395 20 0 FGADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000131735613 494714773 /nfs/dbraw/zinc/71/47/73/494714773.db2.gz CFBRLVZWEBBNAE-HXUWFJFHSA-N 2 1 353.466 3.121 20 0 FGADMP CC(C)CNC(=O)c1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1 ZINC000131735613 494714781 /nfs/dbraw/zinc/71/47/81/494714781.db2.gz CFBRLVZWEBBNAE-HXUWFJFHSA-N 2 1 353.466 3.121 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126454861 494756195 /nfs/dbraw/zinc/75/61/95/494756195.db2.gz OCNCLUVSYOPGKG-QUCCMNQESA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820874 494761070 /nfs/dbraw/zinc/76/10/70/494761070.db2.gz FQFYHDVCCNIQHS-GOSISDBHSA-N 2 1 372.557 3.457 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000574295201 505740760 /nfs/dbraw/zinc/74/07/60/505740760.db2.gz HLDQFTGXSARXOE-KNQAVFIVSA-N 2 1 373.541 3.070 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000121514117 494788501 /nfs/dbraw/zinc/78/85/01/494788501.db2.gz ZEEXLSNSYLOWDQ-NNDYNSRJSA-N 2 1 352.482 3.250 20 0 FGADMP Cc1ccccc1-c1cnc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)o1 ZINC000075639718 494808026 /nfs/dbraw/zinc/80/80/26/494808026.db2.gz NOYGMNKQHZDGHL-UHFFFAOYSA-N 2 1 355.482 3.194 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000116560880 494815024 /nfs/dbraw/zinc/81/50/24/494815024.db2.gz SXMUPGBOZIQHPK-RTBURBONSA-N 2 1 372.557 3.195 20 0 FGADMP Cc1ccc2nc(NC(=O)C[NH+]3CCC(CC[NH+](C)C)CC3)sc2c1 ZINC000121613048 494819466 /nfs/dbraw/zinc/81/94/66/494819466.db2.gz OIUYQFXYYHJXSA-UHFFFAOYSA-N 2 1 360.527 3.207 20 0 FGADMP COC[C@@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000121645085 494829588 /nfs/dbraw/zinc/82/95/88/494829588.db2.gz SQZNLJVFRBDNST-QGZVFWFLSA-N 2 1 363.546 3.159 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000109122078 494834610 /nfs/dbraw/zinc/83/46/10/494834610.db2.gz ZUHKHAMFPNJSNU-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[C@H](c1ccccc1)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093361657 494879649 /nfs/dbraw/zinc/87/96/49/494879649.db2.gz DCEWQWBMVSDBFG-HXUWFJFHSA-N 2 1 353.514 3.058 20 0 FGADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093361657 494879654 /nfs/dbraw/zinc/87/96/54/494879654.db2.gz DCEWQWBMVSDBFG-HXUWFJFHSA-N 2 1 353.514 3.058 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)CC1 ZINC000093644312 494906457 /nfs/dbraw/zinc/90/64/57/494906457.db2.gz JLTLTJORUSOTNN-CTNGQTDRSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000093644312 494906460 /nfs/dbraw/zinc/90/64/60/494906460.db2.gz JLTLTJORUSOTNN-CTNGQTDRSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000093644312 494906461 /nfs/dbraw/zinc/90/64/61/494906461.db2.gz JLTLTJORUSOTNN-CTNGQTDRSA-N 2 1 358.574 3.133 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639694 494907273 /nfs/dbraw/zinc/90/72/73/494907273.db2.gz ZIXOODUYUSUEMH-CRAIPNDOSA-N 2 1 370.497 3.010 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639694 494907276 /nfs/dbraw/zinc/90/72/76/494907276.db2.gz ZIXOODUYUSUEMH-CRAIPNDOSA-N 2 1 370.497 3.010 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000093639694 494907278 /nfs/dbraw/zinc/90/72/78/494907278.db2.gz ZIXOODUYUSUEMH-CRAIPNDOSA-N 2 1 370.497 3.010 20 0 FGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCS2 ZINC000132743454 494917994 /nfs/dbraw/zinc/91/79/94/494917994.db2.gz WZBXXOMVIYTDNW-KBXCAEBGSA-N 2 1 350.503 3.453 20 0 FGADMP Cn1cc(C[C@@H]2CC[N@@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000093870361 494929648 /nfs/dbraw/zinc/92/96/48/494929648.db2.gz VZUNNTKQPHSHSP-FQEVSTJZSA-N 2 1 354.542 3.443 20 0 FGADMP Cn1cc(C[C@@H]2CC[NH+](CC(C)(C)C[N@H+](C)Cc3ccccc3)C2)cn1 ZINC000093870361 494929653 /nfs/dbraw/zinc/92/96/53/494929653.db2.gz VZUNNTKQPHSHSP-FQEVSTJZSA-N 2 1 354.542 3.443 20 0 FGADMP Cn1cc(C[C@@H]2CC[NH+](CC(C)(C)C[N@@H+](C)Cc3ccccc3)C2)cn1 ZINC000093870361 494929657 /nfs/dbraw/zinc/92/96/57/494929657.db2.gz VZUNNTKQPHSHSP-FQEVSTJZSA-N 2 1 354.542 3.443 20 0 FGADMP O=C(CC[NH+]1CCC([NH2+]C2CCCC2)CC1)N1CCc2sccc2C1 ZINC000110033841 494941288 /nfs/dbraw/zinc/94/12/88/494941288.db2.gz JJPQGDUFSYVUHI-UHFFFAOYSA-N 2 1 361.555 3.020 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122263583 494948668 /nfs/dbraw/zinc/94/86/68/494948668.db2.gz FYQZSLNWFYXBGI-QFIPXVFZSA-N 2 1 371.569 3.252 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000132975284 494951547 /nfs/dbraw/zinc/95/15/47/494951547.db2.gz LOPAAOSXQXMFRV-HNNXBMFYSA-N 2 1 354.450 3.307 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)o1 ZINC000132975284 494951552 /nfs/dbraw/zinc/95/15/52/494951552.db2.gz LOPAAOSXQXMFRV-HNNXBMFYSA-N 2 1 354.450 3.307 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC1([NH+]3CCCCC3)CCCCC1)CC2 ZINC000574329938 505748473 /nfs/dbraw/zinc/74/84/73/505748473.db2.gz IZOZLXROMLCFJB-GOSISDBHSA-N 2 1 358.530 3.059 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc12 ZINC000128016022 495031370 /nfs/dbraw/zinc/03/13/70/495031370.db2.gz ZTBWQZMULPMCNV-SJORKVTESA-N 2 1 369.509 3.086 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000097428394 495035433 /nfs/dbraw/zinc/03/54/33/495035433.db2.gz YMWDPTMIFLSSOI-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000097428394 495035437 /nfs/dbraw/zinc/03/54/37/495035437.db2.gz YMWDPTMIFLSSOI-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000097428394 495035440 /nfs/dbraw/zinc/03/54/40/495035440.db2.gz YMWDPTMIFLSSOI-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000118806030 495039219 /nfs/dbraw/zinc/03/92/19/495039219.db2.gz BJZIVPJFWYCOEX-SFHVURJKSA-N 2 1 369.513 3.470 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+](C)C[C@@H]3CCC[NH+](C)C3)n2)cc1F ZINC000118841305 495047363 /nfs/dbraw/zinc/04/73/63/495047363.db2.gz ZXEMZHHXRWFGPE-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP Cc1ccc(-c2noc(CCC[NH+](C)C[C@@H]3CCC[N@H+](C)C3)n2)cc1F ZINC000118841305 495047368 /nfs/dbraw/zinc/04/73/68/495047368.db2.gz ZXEMZHHXRWFGPE-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP Cc1ccc(-c2noc(CCC[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)n2)cc1F ZINC000118841305 495047373 /nfs/dbraw/zinc/04/73/73/495047373.db2.gz ZXEMZHHXRWFGPE-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OC(F)(F)F ZINC000128267180 495070131 /nfs/dbraw/zinc/07/01/31/495070131.db2.gz HAMUMVPRPRRUKN-OAHLLOKOSA-N 2 1 359.436 3.263 20 0 FGADMP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000123141175 495086280 /nfs/dbraw/zinc/08/62/80/495086280.db2.gz ADCBMWWSNIBCTN-IBGZPJMESA-N 2 1 363.933 3.499 20 0 FGADMP Oc1ccc(Br)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134040196 495097056 /nfs/dbraw/zinc/09/70/56/495097056.db2.gz OYLBVTVNZZZTRW-UHFFFAOYSA-N 2 1 353.304 3.463 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1CC[NH2+]CC1)C1CCCCC1 ZINC000571538337 505757292 /nfs/dbraw/zinc/75/72/92/505757292.db2.gz SKNBTZDGPRZVOW-UHFFFAOYSA-N 2 1 372.557 3.250 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000134169179 495116219 /nfs/dbraw/zinc/11/62/19/495116219.db2.gz WYYKXJLZXOFZNK-UHFFFAOYSA-N 2 1 359.558 3.467 20 0 FGADMP C[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000119346198 495147234 /nfs/dbraw/zinc/14/72/34/495147234.db2.gz HJPWJQURIHSGRT-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000119346198 495147236 /nfs/dbraw/zinc/14/72/36/495147236.db2.gz HJPWJQURIHSGRT-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1C[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000119346198 495147238 /nfs/dbraw/zinc/14/72/38/495147238.db2.gz HJPWJQURIHSGRT-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000128782094 495149573 /nfs/dbraw/zinc/14/95/73/495149573.db2.gz CKZFLWOMTBAQOB-BGYRXZFFSA-N 2 1 366.594 3.310 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000128782094 495149577 /nfs/dbraw/zinc/14/95/77/495149577.db2.gz CKZFLWOMTBAQOB-BGYRXZFFSA-N 2 1 366.594 3.310 20 0 FGADMP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000128782094 495149579 /nfs/dbraw/zinc/14/95/79/495149579.db2.gz CKZFLWOMTBAQOB-BGYRXZFFSA-N 2 1 366.594 3.310 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000119561389 495190999 /nfs/dbraw/zinc/19/09/99/495190999.db2.gz KXZRIGTYFQFXOJ-GCJKJVERSA-N 2 1 374.488 3.182 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129459932 495247843 /nfs/dbraw/zinc/24/78/43/495247843.db2.gz FRXIQEGGSRVAKM-RBUKOAKNSA-N 2 1 372.557 3.012 20 0 FGADMP COC[C@@H]1CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112985381 495263654 /nfs/dbraw/zinc/26/36/54/495263654.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH+]2CCC[C@H](COC)C2)C1 ZINC000112985381 495263660 /nfs/dbraw/zinc/26/36/60/495263660.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@@H]1CCC[N@H+](Cc2ccccc2C[NH+]2CCC[C@H](COC)C2)C1 ZINC000112985381 495263662 /nfs/dbraw/zinc/26/36/62/495263662.db2.gz YEPOFGYSAPNOBW-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000124308594 495267322 /nfs/dbraw/zinc/26/73/22/495267322.db2.gz SRFJIAQQEHNCTO-FQEVSTJZSA-N 2 1 367.493 3.026 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000124308594 495267325 /nfs/dbraw/zinc/26/73/25/495267325.db2.gz SRFJIAQQEHNCTO-FQEVSTJZSA-N 2 1 367.493 3.026 20 0 FGADMP COC1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439046 505773355 /nfs/dbraw/zinc/77/33/55/505773355.db2.gz PQIKZFHYPZPSJQ-QFIPXVFZSA-N 2 1 371.569 3.228 20 0 FGADMP CCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000130443570 495392761 /nfs/dbraw/zinc/39/27/61/495392761.db2.gz UEAGSVZOKQOBDS-MRXNPFEDSA-N 2 1 360.477 3.262 20 0 FGADMP CCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)[C@H](C)c1ccc(F)cc1 ZINC000130443570 495392766 /nfs/dbraw/zinc/39/27/66/495392766.db2.gz UEAGSVZOKQOBDS-MRXNPFEDSA-N 2 1 360.477 3.262 20 0 FGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120507890 495394189 /nfs/dbraw/zinc/39/41/89/495394189.db2.gz PGKCDYYKONEVNO-OAQYLSRUSA-N 2 1 359.558 3.319 20 0 FGADMP CC1CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000137104488 495423367 /nfs/dbraw/zinc/42/33/67/495423367.db2.gz MCTZWWFVOILRJQ-SEJPIABJSA-N 2 1 355.526 3.030 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)c(Br)c2)CC1 ZINC000137206865 495430413 /nfs/dbraw/zinc/43/04/13/495430413.db2.gz OYMTWUYCNWMJPS-UHFFFAOYSA-N 2 1 361.711 3.432 20 0 FGADMP O=C(C[C@@H]1CC[NH2+]C1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000130880321 495460353 /nfs/dbraw/zinc/46/03/53/495460353.db2.gz GXLRZFMDVNLEQG-FQEVSTJZSA-N 2 1 355.526 3.033 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000130935905 495468268 /nfs/dbraw/zinc/46/82/68/495468268.db2.gz JGEFXWZMUYRGKX-BGYRXZFFSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000130935905 495468273 /nfs/dbraw/zinc/46/82/73/495468273.db2.gz JGEFXWZMUYRGKX-BGYRXZFFSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)C1 ZINC000130935905 495468276 /nfs/dbraw/zinc/46/82/76/495468276.db2.gz JGEFXWZMUYRGKX-BGYRXZFFSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000577749328 505784669 /nfs/dbraw/zinc/78/46/69/505784669.db2.gz YDBKTVYSVCZGAI-HOJAQTOUSA-N 2 1 357.542 3.093 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000140390667 495495134 /nfs/dbraw/zinc/49/51/34/495495134.db2.gz VTULSGVSZYKYRM-SXLOBPIMSA-N 2 1 372.557 3.242 20 0 FGADMP Cc1ccc(-c2ncc(C[NH2+]CCCN3CCC[N@H+](C)CC3)s2)cc1 ZINC000115616689 495521406 /nfs/dbraw/zinc/52/14/06/495521406.db2.gz OUMXUGUJCWUIFQ-UHFFFAOYSA-N 2 1 358.555 3.236 20 0 FGADMP Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000158637040 495556269 /nfs/dbraw/zinc/55/62/69/495556269.db2.gz HPKOFTNUJRSVSX-LJQANCHMSA-N 2 1 359.514 3.248 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)o1 ZINC000176232117 495556892 /nfs/dbraw/zinc/55/68/92/495556892.db2.gz GWZVVDKGYBMIKN-IPQPSQTFSA-N 2 1 374.529 3.039 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437407 495564079 /nfs/dbraw/zinc/56/40/79/495564079.db2.gz DYDVITPJFDFXFN-SJORKVTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437407 495564082 /nfs/dbraw/zinc/56/40/82/495564082.db2.gz DYDVITPJFDFXFN-SJORKVTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437407 495564085 /nfs/dbraw/zinc/56/40/85/495564085.db2.gz DYDVITPJFDFXFN-SJORKVTESA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437407 495564089 /nfs/dbraw/zinc/56/40/89/495564089.db2.gz DYDVITPJFDFXFN-SJORKVTESA-N 2 1 354.922 3.052 20 0 FGADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182475976 495577500 /nfs/dbraw/zinc/57/75/00/495577500.db2.gz JZYYBVRUNYCNCT-FGTMMUONSA-N 2 1 366.571 3.077 20 0 FGADMP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000182475976 495577504 /nfs/dbraw/zinc/57/75/04/495577504.db2.gz JZYYBVRUNYCNCT-FGTMMUONSA-N 2 1 366.571 3.077 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000154360281 495592288 /nfs/dbraw/zinc/59/22/88/495592288.db2.gz TYGVRCAPUSJVQE-ZDUSSCGKSA-N 2 1 360.365 3.189 20 0 FGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154411020 495607976 /nfs/dbraw/zinc/60/79/76/495607976.db2.gz QOXXCZZEPQCHER-HNNXBMFYSA-N 2 1 352.592 3.427 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000173618826 495617650 /nfs/dbraw/zinc/61/76/50/495617650.db2.gz WPYGUCCJXRGGPM-HZPDHXFCSA-N 2 1 357.498 3.461 20 0 FGADMP Cc1cc(NC(=O)CC[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)no1 ZINC000158936570 495619130 /nfs/dbraw/zinc/61/91/30/495619130.db2.gz SGPPYWNUZXUHOP-INIZCTEOSA-N 2 1 362.518 3.288 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000150762369 495625258 /nfs/dbraw/zinc/62/52/58/495625258.db2.gz JXTFQXBFXBMSNO-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150762369 495625264 /nfs/dbraw/zinc/62/52/64/495625264.db2.gz JXTFQXBFXBMSNO-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150762369 495625270 /nfs/dbraw/zinc/62/52/70/495625270.db2.gz JXTFQXBFXBMSNO-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786100 495634052 /nfs/dbraw/zinc/63/40/52/495634052.db2.gz DBCXSSFZWCVEQO-GDBMZVCRSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150786100 495634060 /nfs/dbraw/zinc/63/40/60/495634060.db2.gz DBCXSSFZWCVEQO-GDBMZVCRSA-N 2 1 373.324 3.151 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000179587562 495650738 /nfs/dbraw/zinc/65/07/38/495650738.db2.gz BBIJFAACKAACLJ-HKUYNNGSSA-N 2 1 363.933 3.464 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182671755 495657831 /nfs/dbraw/zinc/65/78/31/495657831.db2.gz OHWYUTZGUNOYDG-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000182691152 495666082 /nfs/dbraw/zinc/66/60/82/495666082.db2.gz SGHCEIBVDAEXTR-MSOLQXFVSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661710 495667934 /nfs/dbraw/zinc/66/79/34/495667934.db2.gz NXXCSDDDURRDLK-IAGOWNOFSA-N 2 1 373.566 3.368 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661710 495667939 /nfs/dbraw/zinc/66/79/39/495667939.db2.gz NXXCSDDDURRDLK-IAGOWNOFSA-N 2 1 373.566 3.368 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185661751 495668670 /nfs/dbraw/zinc/66/86/70/495668670.db2.gz NXXCSDDDURRDLK-SJORKVTESA-N 2 1 373.566 3.368 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCSc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185661751 495668672 /nfs/dbraw/zinc/66/86/72/495668672.db2.gz NXXCSDDDURRDLK-SJORKVTESA-N 2 1 373.566 3.368 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492921 495671929 /nfs/dbraw/zinc/67/19/29/495671929.db2.gz VLMLSUBBPIHLFI-LJQANCHMSA-N 2 1 364.578 3.299 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1 ZINC000182745528 495686621 /nfs/dbraw/zinc/68/66/21/495686621.db2.gz ZGYNLPCGMRCRHI-MRXNPFEDSA-N 2 1 350.507 3.144 20 0 FGADMP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182761951 495693189 /nfs/dbraw/zinc/69/31/89/495693189.db2.gz YJCUSLRGFAITOT-BMHOQUIDSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718033 495696198 /nfs/dbraw/zinc/69/61/98/495696198.db2.gz HOIGIKVCODXMDY-OALUTQOASA-N 2 1 351.579 3.370 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718033 495696203 /nfs/dbraw/zinc/69/62/03/495696203.db2.gz HOIGIKVCODXMDY-OALUTQOASA-N 2 1 351.579 3.370 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185722775 495697518 /nfs/dbraw/zinc/69/75/18/495697518.db2.gz ZZZVBNUMEQZTDT-RBUKOAKNSA-N 2 1 369.553 3.077 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185722775 495697521 /nfs/dbraw/zinc/69/75/21/495697521.db2.gz ZZZVBNUMEQZTDT-RBUKOAKNSA-N 2 1 369.553 3.077 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159272836 495698810 /nfs/dbraw/zinc/69/88/10/495698810.db2.gz JZFYOBDDOSSVAY-LJQANCHMSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCc2ccccc2C1 ZINC000185747353 495708996 /nfs/dbraw/zinc/70/89/96/495708996.db2.gz JLASJEKEXUBQMW-BJLQDIEVSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCc2ccccc2C1 ZINC000185747353 495709003 /nfs/dbraw/zinc/70/90/03/495709003.db2.gz JLASJEKEXUBQMW-BJLQDIEVSA-N 2 1 369.553 3.202 20 0 FGADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872507 495726807 /nfs/dbraw/zinc/72/68/07/495726807.db2.gz CFXBQUOITLTJAQ-IEBWSBKVSA-N 2 1 366.933 3.025 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCC(C)CC1)CC2 ZINC000173887434 495732646 /nfs/dbraw/zinc/73/26/46/495732646.db2.gz DQVUMRRLCUOQRY-UXHICEINSA-N 2 1 364.578 3.155 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000179914591 495781734 /nfs/dbraw/zinc/78/17/34/495781734.db2.gz HTFLDRVPRJHCDC-UHFFFAOYSA-N 2 1 357.542 3.135 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000179914591 495781736 /nfs/dbraw/zinc/78/17/36/495781736.db2.gz HTFLDRVPRJHCDC-UHFFFAOYSA-N 2 1 357.542 3.135 20 0 FGADMP O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC000151384158 495822145 /nfs/dbraw/zinc/82/21/45/495822145.db2.gz QSVZVLLUORZBCJ-IBGZPJMESA-N 2 1 368.481 3.412 20 0 FGADMP O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000151384158 495822149 /nfs/dbraw/zinc/82/21/49/495822149.db2.gz QSVZVLLUORZBCJ-IBGZPJMESA-N 2 1 368.481 3.412 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155276908 495901059 /nfs/dbraw/zinc/90/10/59/495901059.db2.gz CQUVQGRASXOCIK-WIYYLYMNSA-N 2 1 373.541 3.040 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155276908 495901064 /nfs/dbraw/zinc/90/10/64/495901064.db2.gz CQUVQGRASXOCIK-WIYYLYMNSA-N 2 1 373.541 3.040 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174345200 495919882 /nfs/dbraw/zinc/91/98/82/495919882.db2.gz LLPSLASGOQCJIF-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000186269930 495921087 /nfs/dbraw/zinc/92/10/87/495921087.db2.gz FGSITVSMPCCDDC-UIFIKXQLSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186269930 495921093 /nfs/dbraw/zinc/92/10/93/495921093.db2.gz FGSITVSMPCCDDC-UIFIKXQLSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186269930 495921098 /nfs/dbraw/zinc/92/10/98/495921098.db2.gz FGSITVSMPCCDDC-UIFIKXQLSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498999 496010391 /nfs/dbraw/zinc/01/03/91/496010391.db2.gz QGPDSEIUNZTAOV-WOIUINJBSA-N 3 1 359.558 3.022 20 0 FGADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000183498999 496010395 /nfs/dbraw/zinc/01/03/95/496010395.db2.gz QGPDSEIUNZTAOV-WOIUINJBSA-N 2 1 359.558 3.022 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000177313809 496014542 /nfs/dbraw/zinc/01/45/42/496014542.db2.gz KADLHXPESQWKBO-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000177313809 496014549 /nfs/dbraw/zinc/01/45/49/496014549.db2.gz KADLHXPESQWKBO-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000183557370 496029942 /nfs/dbraw/zinc/02/99/42/496029942.db2.gz KKYBNSYEPXNDEJ-IRLDBZIGSA-N 2 1 359.558 3.078 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000183557370 496029947 /nfs/dbraw/zinc/02/99/47/496029947.db2.gz KKYBNSYEPXNDEJ-IRLDBZIGSA-N 2 1 359.558 3.078 20 0 FGADMP COc1ccc(OC(F)F)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000171841438 496058963 /nfs/dbraw/zinc/05/89/63/496058963.db2.gz TVBBRUROPFLDOA-GASCZTMLSA-N 2 1 372.456 3.276 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000177449223 496066300 /nfs/dbraw/zinc/06/63/00/496066300.db2.gz RKVNLVBQSCIMCH-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP CC[C@H](C[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000186620178 496076627 /nfs/dbraw/zinc/07/66/27/496076627.db2.gz ROPFKYGCNBFQNN-LJQANCHMSA-N 2 1 359.558 3.491 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000171898182 496082403 /nfs/dbraw/zinc/08/24/03/496082403.db2.gz XMYSGRHUPRKHGW-SFHVURJKSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)CC2(O)CCCC2)cc1)CC1(O)CCCC1 ZINC000152253429 496095587 /nfs/dbraw/zinc/09/55/87/496095587.db2.gz PHIABDVPMWVUIX-UHFFFAOYSA-N 2 1 360.542 3.160 20 0 FGADMP CCCc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000171941028 496102331 /nfs/dbraw/zinc/10/23/31/496102331.db2.gz FQYMJZYQFGSEBQ-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000574647646 505823642 /nfs/dbraw/zinc/82/36/42/505823642.db2.gz MMXSIDRERGANHB-ZYSHUDEJSA-N 2 1 363.933 3.024 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152457593 496158166 /nfs/dbraw/zinc/15/81/66/496158166.db2.gz AQLOFVHKKCQNFN-WAOWUJCRSA-N 2 1 360.542 3.452 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152458980 496158980 /nfs/dbraw/zinc/15/89/80/496158980.db2.gz ICJUMWWAKYGFRW-IRXDYDNUSA-N 2 1 354.498 3.075 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000172258586 496233028 /nfs/dbraw/zinc/23/30/28/496233028.db2.gz UWLIVPBTWPJAJI-SJORKVTESA-N 2 1 371.529 3.256 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)[C@H]3CCOC3)CC2)cs1 ZINC000161789869 496238345 /nfs/dbraw/zinc/23/83/45/496238345.db2.gz OLOOFHFPWXXUEO-FUHWJXTLSA-N 2 1 351.560 3.322 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000181053599 496254079 /nfs/dbraw/zinc/25/40/79/496254079.db2.gz CYWAUCPRMAEFKS-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000181053599 496254083 /nfs/dbraw/zinc/25/40/83/496254083.db2.gz CYWAUCPRMAEFKS-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156474231 496256111 /nfs/dbraw/zinc/25/61/11/496256111.db2.gz VXNKCEYNMOPAOS-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000580767084 505833881 /nfs/dbraw/zinc/83/38/81/505833881.db2.gz RIBKRHWCRCENLQ-UHFFFAOYSA-N 2 1 352.482 3.428 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000177987058 496276978 /nfs/dbraw/zinc/27/69/78/496276978.db2.gz UFLIKSSTMQEHNT-INIZCTEOSA-N 2 1 371.319 3.221 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000177987058 496276984 /nfs/dbraw/zinc/27/69/84/496276984.db2.gz UFLIKSSTMQEHNT-INIZCTEOSA-N 2 1 371.319 3.221 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989918 505835356 /nfs/dbraw/zinc/83/53/56/505835356.db2.gz YUFVWPJIVFNMST-IFMALSPDSA-N 2 1 354.494 3.024 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000577989918 505835359 /nfs/dbraw/zinc/83/53/59/505835359.db2.gz YUFVWPJIVFNMST-IFMALSPDSA-N 2 1 354.494 3.024 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ncc(Br)cc1F ZINC000187160275 496319596 /nfs/dbraw/zinc/31/95/96/496319596.db2.gz VHWJTJRLPONBCA-GHMZBOCLSA-N 2 1 355.255 3.475 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175303472 496330846 /nfs/dbraw/zinc/33/08/46/496330846.db2.gz VBGDDDSDUMFXMN-GHTZIAJQSA-N 2 1 372.557 3.212 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178193183 496364202 /nfs/dbraw/zinc/36/42/02/496364202.db2.gz WNSQMEVWWHDWSV-APWZRJJASA-N 2 1 362.481 3.290 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C12CCCC2 ZINC000181415862 496385992 /nfs/dbraw/zinc/38/59/92/496385992.db2.gz DINOQUMMEUVERF-RTWAWAEBSA-N 2 1 358.526 3.346 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000157095875 496404973 /nfs/dbraw/zinc/40/49/73/496404973.db2.gz FKZXHXGLOMWFIP-CTNGQTDRSA-N 2 1 372.557 3.101 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000162746722 496406802 /nfs/dbraw/zinc/40/68/02/496406802.db2.gz GIHVYWUMLBBVSR-HNNXBMFYSA-N 2 1 365.319 3.146 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000172770453 496423118 /nfs/dbraw/zinc/42/31/18/496423118.db2.gz PSLRKVMIPNSTJW-OAQYLSRUSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000175524115 496425927 /nfs/dbraw/zinc/42/59/27/496425927.db2.gz TUEFAWPTZULGGJ-SFHVURJKSA-N 2 1 360.546 3.243 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574736548 505844309 /nfs/dbraw/zinc/84/43/09/505844309.db2.gz KWXBENSUYPLNDA-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000187454044 496447191 /nfs/dbraw/zinc/44/71/91/496447191.db2.gz TXWWYUBTXUBKLK-FQEVSTJZSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000187454044 496447194 /nfs/dbraw/zinc/44/71/94/496447194.db2.gz TXWWYUBTXUBKLK-FQEVSTJZSA-N 2 1 368.525 3.423 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c2)CCO1 ZINC000181573166 496451778 /nfs/dbraw/zinc/45/17/78/496451778.db2.gz ZBLFRNHDZXFULR-YCZSINBZSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)c2)CCO1 ZINC000181573166 496451780 /nfs/dbraw/zinc/45/17/80/496451780.db2.gz ZBLFRNHDZXFULR-YCZSINBZSA-N 2 1 370.537 3.345 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccc(OC)n2)CC1 ZINC000181628404 496476679 /nfs/dbraw/zinc/47/66/79/496476679.db2.gz OHKSPKGBWJJNQJ-INIZCTEOSA-N 2 1 372.488 3.222 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000580827914 505847145 /nfs/dbraw/zinc/84/71/45/505847145.db2.gz FKVZZVQMFXPCPQ-DOXZYTNZSA-N 2 1 350.528 3.052 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282420 496492375 /nfs/dbraw/zinc/49/23/75/496492375.db2.gz OKLGWEJNJRVBAI-HOTGVXAUSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157611391 496515529 /nfs/dbraw/zinc/51/55/29/496515529.db2.gz FHIBEAMGVUETBG-LPWQTFTOSA-N 2 1 366.933 3.027 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(-n4cncn4)cc3)CC2)[nH+]c1 ZINC000163538705 496529641 /nfs/dbraw/zinc/52/96/41/496529641.db2.gz WSBJTYHIRXJNFR-QGZVFWFLSA-N 2 1 362.481 3.290 20 0 FGADMP CC[C@H](C[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000187690628 496536445 /nfs/dbraw/zinc/53/64/45/496536445.db2.gz UKTXROQYXQGTKS-HXUWFJFHSA-N 2 1 367.541 3.244 20 0 FGADMP CC[C@H](C[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccccc1 ZINC000187690628 496536449 /nfs/dbraw/zinc/53/64/49/496536449.db2.gz UKTXROQYXQGTKS-HXUWFJFHSA-N 2 1 367.541 3.244 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000178704874 496545372 /nfs/dbraw/zinc/54/53/72/496545372.db2.gz XFPPTUUOAKAOHX-SJORKVTESA-N 2 1 367.497 3.432 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000163697262 496548176 /nfs/dbraw/zinc/54/81/76/496548176.db2.gz PYORJQGAYGRWQG-FQEVSTJZSA-N 2 1 366.594 3.118 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000184831742 496548819 /nfs/dbraw/zinc/54/88/19/496548819.db2.gz WSBZCAQPTKNCTH-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCn3cccn3)CC2)cs1 ZINC000157786042 496554884 /nfs/dbraw/zinc/55/48/84/496554884.db2.gz NOPBRHFBQWLDLP-INIZCTEOSA-N 2 1 361.559 3.182 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000158013754 496608903 /nfs/dbraw/zinc/60/89/03/496608903.db2.gz VJUGHGSZYDOKFO-IRXDYDNUSA-N 2 1 366.575 3.018 20 0 FGADMP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000187995891 496644748 /nfs/dbraw/zinc/64/47/48/496644748.db2.gz WYTNWNZSGXKRGJ-LQCXBHPOSA-N 2 1 358.526 3.213 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000165149527 496650017 /nfs/dbraw/zinc/65/00/17/496650017.db2.gz CRPLAGQHQXTCQT-OALUTQOASA-N 2 1 369.534 3.106 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000165149527 496650022 /nfs/dbraw/zinc/65/00/22/496650022.db2.gz CRPLAGQHQXTCQT-OALUTQOASA-N 2 1 369.534 3.106 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000173346484 496652368 /nfs/dbraw/zinc/65/23/68/496652368.db2.gz DNQBNCZFWFRYHY-OALUTQOASA-N 2 1 364.578 3.299 20 0 FGADMP CC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000165611414 496663809 /nfs/dbraw/zinc/66/38/09/496663809.db2.gz LYLKTVNMNKOOPI-UHFFFAOYSA-N 2 1 365.521 3.484 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388990 496690636 /nfs/dbraw/zinc/69/06/36/496690636.db2.gz JIMHTPSFMVLGGK-LZWOXQAQSA-N 2 1 367.921 3.304 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCC2 ZINC000158484079 496711042 /nfs/dbraw/zinc/71/10/42/496711042.db2.gz YLBNVSSBHSMMKR-MRXNPFEDSA-N 2 1 371.554 3.020 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495227 496712960 /nfs/dbraw/zinc/71/29/60/496712960.db2.gz IJROFDQZWVHDDC-GUYCJALGSA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495227 496712964 /nfs/dbraw/zinc/71/29/64/496712964.db2.gz IJROFDQZWVHDDC-GUYCJALGSA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495227 496712970 /nfs/dbraw/zinc/71/29/70/496712970.db2.gz IJROFDQZWVHDDC-GUYCJALGSA-N 2 1 353.869 3.224 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C12CCCC2 ZINC000182261723 496722686 /nfs/dbraw/zinc/72/26/86/496722686.db2.gz VJMVUIVUKALUPW-PWRODBHTSA-N 2 1 358.526 3.081 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182263309 496722735 /nfs/dbraw/zinc/72/27/35/496722735.db2.gz DITZSQBXVNUZME-ROUUACIJSA-N 2 1 357.523 3.185 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000246947802 496731861 /nfs/dbraw/zinc/73/18/61/496731861.db2.gz NVXVBAHMTOABGP-AZUAARDMSA-N 2 1 357.542 3.475 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000246973959 496740677 /nfs/dbraw/zinc/74/06/77/496740677.db2.gz JGZRJZKZGWXTPN-GUTXKFCHSA-N 2 1 361.313 3.053 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2c(F)cccc2Cl)[C@@H](C)C1 ZINC000247007870 496750534 /nfs/dbraw/zinc/75/05/34/496750534.db2.gz LKWSBJXRBKLPRY-KSSFIOAISA-N 2 1 369.912 3.100 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)CC1 ZINC000268783323 496783677 /nfs/dbraw/zinc/78/36/77/496783677.db2.gz AKGSVJVTBKTCIJ-IBGZPJMESA-N 2 1 369.534 3.303 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000268784704 496785821 /nfs/dbraw/zinc/78/58/21/496785821.db2.gz JVVMSZKXDHIXSK-APWZRJJASA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H](C)C1 ZINC000268784704 496785824 /nfs/dbraw/zinc/78/58/24/496785824.db2.gz JVVMSZKXDHIXSK-APWZRJJASA-N 2 1 352.482 3.154 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268795895 496788285 /nfs/dbraw/zinc/78/82/85/496788285.db2.gz ZTRJCCAYYIUDKP-RXVVDRJESA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000268795895 496788287 /nfs/dbraw/zinc/78/82/87/496788287.db2.gz ZTRJCCAYYIUDKP-RXVVDRJESA-N 2 1 357.542 3.134 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000268793858 496788415 /nfs/dbraw/zinc/78/84/15/496788415.db2.gz WBGLWUHVJYPQQT-ZENOOKHLSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000268793858 496788419 /nfs/dbraw/zinc/78/84/19/496788419.db2.gz WBGLWUHVJYPQQT-ZENOOKHLSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000268793856 496788495 /nfs/dbraw/zinc/78/84/95/496788495.db2.gz WBGLWUHVJYPQQT-WWGRRREGSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000268793856 496788501 /nfs/dbraw/zinc/78/85/01/496788501.db2.gz WBGLWUHVJYPQQT-WWGRRREGSA-N 2 1 351.288 3.489 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822931 496795860 /nfs/dbraw/zinc/79/58/60/496795860.db2.gz IAROOUYYSWSNIM-DLBZAZTESA-N 2 1 350.503 3.103 20 0 FGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000268909148 496820293 /nfs/dbraw/zinc/82/02/93/496820293.db2.gz STAMPDRLMIKHEI-GOSISDBHSA-N 2 1 360.498 3.144 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299566 496828565 /nfs/dbraw/zinc/82/85/65/496828565.db2.gz ORWSHANNEACSCJ-LPHOPBHVSA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299566 496828566 /nfs/dbraw/zinc/82/85/66/496828566.db2.gz ORWSHANNEACSCJ-LPHOPBHVSA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000247299566 496828570 /nfs/dbraw/zinc/82/85/70/496828570.db2.gz ORWSHANNEACSCJ-LPHOPBHVSA-N 2 1 362.493 3.144 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000247325972 496835468 /nfs/dbraw/zinc/83/54/68/496835468.db2.gz XJELSTSHGXOUNL-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277709117 496860335 /nfs/dbraw/zinc/86/03/35/496860335.db2.gz IOAFVPHPRSYXER-QGZVFWFLSA-N 2 1 356.514 3.080 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277709117 496860338 /nfs/dbraw/zinc/86/03/38/496860338.db2.gz IOAFVPHPRSYXER-QGZVFWFLSA-N 2 1 356.514 3.080 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000264352736 496878603 /nfs/dbraw/zinc/87/86/03/496878603.db2.gz CQTWBNMYYGNLFX-WBVHZDCISA-N 2 1 353.457 3.061 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247687275 496905602 /nfs/dbraw/zinc/90/56/02/496905602.db2.gz VGJXFHVAISBRAB-UWVAXJGDSA-N 2 1 368.949 3.442 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247687275 496905606 /nfs/dbraw/zinc/90/56/06/496905606.db2.gz VGJXFHVAISBRAB-UWVAXJGDSA-N 2 1 368.949 3.442 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054970 496948637 /nfs/dbraw/zinc/94/86/37/496948637.db2.gz YBKMQKMFLDKFJZ-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054970 496948639 /nfs/dbraw/zinc/94/86/39/496948639.db2.gz YBKMQKMFLDKFJZ-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054970 496948645 /nfs/dbraw/zinc/94/86/45/496948645.db2.gz YBKMQKMFLDKFJZ-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054970 496948650 /nfs/dbraw/zinc/94/86/50/496948650.db2.gz YBKMQKMFLDKFJZ-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000248149538 496963704 /nfs/dbraw/zinc/96/37/04/496963704.db2.gz QPNBYOYWSWRGDQ-RIVXBTQJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000248149538 496963711 /nfs/dbraw/zinc/96/37/11/496963711.db2.gz QPNBYOYWSWRGDQ-RIVXBTQJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248149538 496963714 /nfs/dbraw/zinc/96/37/14/496963714.db2.gz QPNBYOYWSWRGDQ-RIVXBTQJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248149538 496963721 /nfs/dbraw/zinc/96/37/21/496963721.db2.gz QPNBYOYWSWRGDQ-RIVXBTQJSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@H]1C ZINC000248393280 496993041 /nfs/dbraw/zinc/99/30/41/496993041.db2.gz DUXNTEYVVVQZSM-LQWHRVPQSA-N 2 1 373.541 3.262 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000248411144 497000992 /nfs/dbraw/zinc/00/09/92/497000992.db2.gz YWBAAWLCCCKGRQ-CMOCDZPBSA-N 2 1 358.526 3.072 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000248461631 497020700 /nfs/dbraw/zinc/02/07/00/497020700.db2.gz XROAAMVOYQRXNZ-MAUKXSAKSA-N 2 1 358.457 3.252 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248517248 497029930 /nfs/dbraw/zinc/02/99/30/497029930.db2.gz PHAFUTZSPNYINX-RTBURBONSA-N 2 1 366.571 3.401 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000248655181 497073854 /nfs/dbraw/zinc/07/38/54/497073854.db2.gz VPPAPVKOAADYQY-GGPKGHCWSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@@H+]1Cc1ccccc1 ZINC000274389326 497085281 /nfs/dbraw/zinc/08/52/81/497085281.db2.gz OAWKWUMUDOAJGL-SJLPKXTDSA-N 2 1 356.539 3.174 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@H+]1Cc1ccccc1 ZINC000274389326 497085286 /nfs/dbraw/zinc/08/52/86/497085286.db2.gz OAWKWUMUDOAJGL-SJLPKXTDSA-N 2 1 356.539 3.174 20 0 FGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372954 497091912 /nfs/dbraw/zinc/09/19/12/497091912.db2.gz CJBJKTASECHUMM-JXFKEZNVSA-N 2 1 369.509 3.445 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405017 497103048 /nfs/dbraw/zinc/10/30/48/497103048.db2.gz DUVQTNRGGZBMFN-DLBZAZTESA-N 2 1 374.529 3.122 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405017 497103054 /nfs/dbraw/zinc/10/30/54/497103054.db2.gz DUVQTNRGGZBMFN-DLBZAZTESA-N 2 1 374.529 3.122 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000236679557 497131325 /nfs/dbraw/zinc/13/13/25/497131325.db2.gz AUFXALHOBNEZID-DRLVYXDUSA-N 2 1 369.553 3.106 20 0 FGADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236695580 497134044 /nfs/dbraw/zinc/13/40/44/497134044.db2.gz GTNRXRATAOYNMG-PKOBYXMFSA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236695580 497134049 /nfs/dbraw/zinc/13/40/49/497134049.db2.gz GTNRXRATAOYNMG-PKOBYXMFSA-N 2 1 371.550 3.337 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000274632907 497134630 /nfs/dbraw/zinc/13/46/30/497134630.db2.gz OEEDZZQHXHFQKU-KRWDZBQOSA-N 2 1 357.542 3.202 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000249031351 497150829 /nfs/dbraw/zinc/15/08/29/497150829.db2.gz SPYLJGBCSHPXTL-LEWJYISDSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249031351 497150835 /nfs/dbraw/zinc/15/08/35/497150835.db2.gz SPYLJGBCSHPXTL-LEWJYISDSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249031351 497150839 /nfs/dbraw/zinc/15/08/39/497150839.db2.gz SPYLJGBCSHPXTL-LEWJYISDSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000236829003 497153952 /nfs/dbraw/zinc/15/39/52/497153952.db2.gz HXYGASAUUZOYEZ-QGZVFWFLSA-N 2 1 358.511 3.088 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@](C)([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000249051801 497154015 /nfs/dbraw/zinc/15/40/15/497154015.db2.gz XRKOHLGXBLCGHV-XFQXTVEOSA-N 2 1 357.523 3.121 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N(CC)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000249277245 497185920 /nfs/dbraw/zinc/18/59/20/497185920.db2.gz DPWAURXDFKGFAI-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000237110742 497192726 /nfs/dbraw/zinc/19/27/26/497192726.db2.gz MGHUWGSGGMSYQW-UHFFFAOYSA-N 2 1 361.864 3.059 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000249426833 497202155 /nfs/dbraw/zinc/20/21/55/497202155.db2.gz IWXQLZLNYNEWEY-WMLDXEAASA-N 2 1 368.543 3.070 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@@H](C)C1 ZINC000249426833 497202158 /nfs/dbraw/zinc/20/21/58/497202158.db2.gz IWXQLZLNYNEWEY-WMLDXEAASA-N 2 1 368.543 3.070 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000249477431 497208775 /nfs/dbraw/zinc/20/87/75/497208775.db2.gz VYQQGZXCEKYOAO-BJLQDIEVSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000249477431 497208780 /nfs/dbraw/zinc/20/87/80/497208780.db2.gz VYQQGZXCEKYOAO-BJLQDIEVSA-N 2 1 361.530 3.049 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000237277233 497214118 /nfs/dbraw/zinc/21/41/18/497214118.db2.gz JCOMTNAPTLXNCM-SFHVURJKSA-N 2 1 355.457 3.396 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1)[NH+]1CCOCC1 ZINC000237399958 497230514 /nfs/dbraw/zinc/23/05/14/497230514.db2.gz UMZOQAOCNLGVHY-UXPWSPDFSA-N 2 1 359.514 3.316 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237472040 497241898 /nfs/dbraw/zinc/24/18/98/497241898.db2.gz KGPKPEVRWLDALT-GOSISDBHSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000237475865 497242143 /nfs/dbraw/zinc/24/21/43/497242143.db2.gz QGILKMIGPBSXKH-GCJKJVERSA-N 2 1 365.521 3.105 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192927870 497248703 /nfs/dbraw/zinc/24/87/03/497248703.db2.gz NJBYBIMRMRLMJN-GOOCMWNKSA-N 2 1 365.905 3.200 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccc(N4CCCC4)nc3)C2)cc1 ZINC000192932038 497251054 /nfs/dbraw/zinc/25/10/54/497251054.db2.gz LCNUPBRFIOJSEH-NRFANRHFSA-N 2 1 350.510 3.294 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000237649940 497268706 /nfs/dbraw/zinc/26/87/06/497268706.db2.gz ITPHAGZPJNCUSG-SYNHAJSKSA-N 2 1 363.571 3.273 20 0 FGADMP CN(C(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)c1ccccc1 ZINC000278926992 497270343 /nfs/dbraw/zinc/27/03/43/497270343.db2.gz SFYWPPHELNOMBF-UHFFFAOYSA-N 2 1 366.509 3.452 20 0 FGADMP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237659040 497270521 /nfs/dbraw/zinc/27/05/21/497270521.db2.gz QNAAXYXKQSNNMR-KZNAEPCWSA-N 2 1 363.571 3.102 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000271197404 497287585 /nfs/dbraw/zinc/28/75/85/497287585.db2.gz AWYGURVHSNLWHR-HUUCEWRRSA-N 2 1 373.501 3.357 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)nnn1-c1cccc(Cl)c1 ZINC000278977178 497288547 /nfs/dbraw/zinc/28/85/47/497288547.db2.gz OESQEYQQMBLEAI-ZFWWWQNUSA-N 2 1 370.888 3.339 20 0 FGADMP [NH3+]CCC(=O)N1CC[NH+](Cc2ccc(-c3cccc(Cl)c3)s2)CC1 ZINC000237851579 497302864 /nfs/dbraw/zinc/30/28/64/497302864.db2.gz XHLBACDWDKECTL-UHFFFAOYSA-N 2 1 363.914 3.062 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc12 ZINC000237892155 497309001 /nfs/dbraw/zinc/30/90/01/497309001.db2.gz KKQXGUKRNJVLGF-MRXNPFEDSA-N 2 1 369.538 3.340 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc12 ZINC000237892155 497309005 /nfs/dbraw/zinc/30/90/05/497309005.db2.gz KKQXGUKRNJVLGF-MRXNPFEDSA-N 2 1 369.538 3.340 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652476 497315881 /nfs/dbraw/zinc/31/58/81/497315881.db2.gz QQEYOFYHWJIZRU-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652476 497315885 /nfs/dbraw/zinc/31/58/85/497315885.db2.gz QQEYOFYHWJIZRU-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652476 497315893 /nfs/dbraw/zinc/31/58/93/497315893.db2.gz QQEYOFYHWJIZRU-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317764 /nfs/dbraw/zinc/31/77/64/497317764.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317769 /nfs/dbraw/zinc/31/77/69/497317769.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317773 /nfs/dbraw/zinc/31/77/73/497317773.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317778 /nfs/dbraw/zinc/31/77/78/497317778.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@@H](C)C1 ZINC000252695968 497317783 /nfs/dbraw/zinc/31/77/83/497317783.db2.gz AZVFMPRMALJRAY-BAMDZGJYSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000253296758 497325818 /nfs/dbraw/zinc/32/58/18/497325818.db2.gz TYMHBKQFMPPDFV-RBUKOAKNSA-N 2 1 361.530 3.050 20 0 FGADMP c1cc(CCC[NH2+]CC2([NH+]3CCCCC3)CCOCC2)cc2c1OCC2 ZINC000193309629 497346036 /nfs/dbraw/zinc/34/60/36/497346036.db2.gz AVQCCLAFZGZNRI-UHFFFAOYSA-N 2 1 358.526 3.179 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000255958748 497381679 /nfs/dbraw/zinc/38/16/79/497381679.db2.gz NKVGAFZQYVAJME-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000255958748 497381682 /nfs/dbraw/zinc/38/16/82/497381682.db2.gz NKVGAFZQYVAJME-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000255958748 497381685 /nfs/dbraw/zinc/38/16/85/497381685.db2.gz NKVGAFZQYVAJME-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000245426320 497399730 /nfs/dbraw/zinc/39/97/30/497399730.db2.gz LFWYIVGPKRMJCY-BBRMVZONSA-N 2 1 357.420 3.306 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432603 497402804 /nfs/dbraw/zinc/40/28/04/497402804.db2.gz OSIHHLKGPFCWEK-AZUAARDMSA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432603 497402806 /nfs/dbraw/zinc/40/28/06/497402806.db2.gz OSIHHLKGPFCWEK-AZUAARDMSA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432603 497402809 /nfs/dbraw/zinc/40/28/09/497402809.db2.gz OSIHHLKGPFCWEK-AZUAARDMSA-N 2 1 370.545 3.173 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ncccc21)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245443334 497410144 /nfs/dbraw/zinc/41/01/44/497410144.db2.gz IRSNYNKAEYNOOJ-IAGOWNOFSA-N 2 1 354.498 3.368 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261754401 497445717 /nfs/dbraw/zinc/44/57/17/497445717.db2.gz NGPBVFHUCFETES-RXVVDRJESA-N 2 1 365.521 3.089 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc3c2N(C(=O)OC(C)(C)C)CC3)CC1 ZINC000271803105 497455107 /nfs/dbraw/zinc/45/51/07/497455107.db2.gz JJBQAUDAJGSDEM-UHFFFAOYSA-N 2 1 357.498 3.336 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@H]2C)C[C@@H]1n1ccnc1 ZINC000245706984 497511302 /nfs/dbraw/zinc/51/13/02/497511302.db2.gz SFCNCYKKBPSQIB-HLIPFELVSA-N 2 1 352.482 3.134 20 0 FGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262161710 497518039 /nfs/dbraw/zinc/51/80/39/497518039.db2.gz STANAVYUURTDOO-LJQANCHMSA-N 2 1 353.510 3.107 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578321372 505913493 /nfs/dbraw/zinc/91/34/93/505913493.db2.gz OSHFVCVNQYSAMR-FQEVSTJZSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)oc1C ZINC000194037589 497554603 /nfs/dbraw/zinc/55/46/03/497554603.db2.gz FEDNTYWEMXYAAO-HLAWJBBLSA-N 2 1 373.541 3.441 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)CC2)oc1C ZINC000194037575 497555246 /nfs/dbraw/zinc/55/52/46/497555246.db2.gz FEDNTYWEMXYAAO-HMXCVIKNSA-N 2 1 373.541 3.441 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245924294 497573665 /nfs/dbraw/zinc/57/36/65/497573665.db2.gz NJWDBKBTVHVSFV-VQTJNVASSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262646417 497591010 /nfs/dbraw/zinc/59/10/10/497591010.db2.gz OHKAUDZTXLFGCK-PBASOCQRSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216812 505916382 /nfs/dbraw/zinc/91/63/82/505916382.db2.gz RFCNBTMAKNTTBO-GOSISDBHSA-N 2 1 366.509 3.432 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC000569363931 505917879 /nfs/dbraw/zinc/91/78/79/505917879.db2.gz RDTCNXDKYOLVCU-ZLGUVYLKSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccc(Oc4ccccc4)cc3)C[C@H]21 ZINC000569363931 505917882 /nfs/dbraw/zinc/91/78/82/505917882.db2.gz RDTCNXDKYOLVCU-ZLGUVYLKSA-N 2 1 365.477 3.477 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)c[nH]1 ZINC000267811963 497622531 /nfs/dbraw/zinc/62/25/31/497622531.db2.gz NREUSQRIWQFNCK-UHFFFAOYSA-N 2 1 367.449 3.316 20 0 FGADMP C[NH+](C)[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467434 497637004 /nfs/dbraw/zinc/63/70/04/497637004.db2.gz ZUVIUEGWZWIPTE-PLACYPQZSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467434 497637009 /nfs/dbraw/zinc/63/70/09/497637009.db2.gz ZUVIUEGWZWIPTE-PLACYPQZSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467434 497637013 /nfs/dbraw/zinc/63/70/13/497637013.db2.gz ZUVIUEGWZWIPTE-PLACYPQZSA-N 2 1 359.583 3.209 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246205875 497660028 /nfs/dbraw/zinc/66/00/28/497660028.db2.gz YJULRJAQAYRRLK-OQIJWPOYSA-N 2 1 358.530 3.207 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586064 497671154 /nfs/dbraw/zinc/67/11/54/497671154.db2.gz WSBJXCRWSOTLPH-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000272667988 497696895 /nfs/dbraw/zinc/69/68/95/497696895.db2.gz JNYLBXPIINAFQZ-VAMGGRTRSA-N 2 1 354.498 3.201 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191079910 497702412 /nfs/dbraw/zinc/70/24/12/497702412.db2.gz LTLKFTPHVGYGHL-QUCCMNQESA-N 2 1 362.562 3.153 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@H](C)C1 ZINC000191079910 497702413 /nfs/dbraw/zinc/70/24/13/497702413.db2.gz LTLKFTPHVGYGHL-QUCCMNQESA-N 2 1 362.562 3.153 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272695294 497703696 /nfs/dbraw/zinc/70/36/96/497703696.db2.gz XPXJXPKWYYMKLA-HKUYNNGSSA-N 2 1 359.514 3.108 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246346836 497703847 /nfs/dbraw/zinc/70/38/47/497703847.db2.gz FGSWSACDYLLAQS-JBACZVJFSA-N 2 1 355.526 3.155 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246346836 497703853 /nfs/dbraw/zinc/70/38/53/497703853.db2.gz FGSWSACDYLLAQS-JBACZVJFSA-N 2 1 355.526 3.155 20 0 FGADMP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1=CC[N@H+](C)CC1 ZINC000272740843 497718378 /nfs/dbraw/zinc/71/83/78/497718378.db2.gz QWHIPMJVAOPDKU-MRXNPFEDSA-N 2 1 374.554 3.007 20 0 FGADMP C[C@@H](NC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1=CC[N@@H+](C)CC1 ZINC000272740843 497718381 /nfs/dbraw/zinc/71/83/81/497718381.db2.gz QWHIPMJVAOPDKU-MRXNPFEDSA-N 2 1 374.554 3.007 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000578373299 505925223 /nfs/dbraw/zinc/92/52/23/505925223.db2.gz KRNJEHIDQOJPKQ-UHFFFAOYSA-N 2 1 365.521 3.172 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246434027 497733839 /nfs/dbraw/zinc/73/38/39/497733839.db2.gz HDSLNCVXMCLCNU-NLWGTHIKSA-N 2 1 360.546 3.069 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000263263931 497744940 /nfs/dbraw/zinc/74/49/40/497744940.db2.gz RHTMMHHYOYBKMY-SJBKTWHCSA-N 2 1 357.542 3.265 20 0 FGADMP Cc1cc(C)c(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246506745 497757587 /nfs/dbraw/zinc/75/75/87/497757587.db2.gz HZOHTDBJMJRVQM-AZUAARDMSA-N 2 1 355.526 3.499 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000194817282 497781392 /nfs/dbraw/zinc/78/13/92/497781392.db2.gz BUPWEJVPNNKKHW-MOPGFXCFSA-N 2 1 361.917 3.076 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000194817282 497781394 /nfs/dbraw/zinc/78/13/94/497781394.db2.gz BUPWEJVPNNKKHW-MOPGFXCFSA-N 2 1 361.917 3.076 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246667872 497797654 /nfs/dbraw/zinc/79/76/54/497797654.db2.gz UVSZMWGZJIXJGP-FVELJTHGSA-N 2 1 364.578 3.154 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000578402798 505930554 /nfs/dbraw/zinc/93/05/54/505930554.db2.gz LESKYBMVNXPHII-OALUTQOASA-N 2 1 374.573 3.297 20 0 FGADMP CCN(CCOC)c1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000578402798 505930556 /nfs/dbraw/zinc/93/05/56/505930556.db2.gz LESKYBMVNXPHII-OALUTQOASA-N 2 1 374.573 3.297 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000263680439 497808309 /nfs/dbraw/zinc/80/83/09/497808309.db2.gz IDMOMRJPVZSUMW-UHFFFAOYSA-N 2 1 356.514 3.304 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000263680439 497808311 /nfs/dbraw/zinc/80/83/11/497808311.db2.gz IDMOMRJPVZSUMW-UHFFFAOYSA-N 2 1 356.514 3.304 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246790054 497811147 /nfs/dbraw/zinc/81/11/47/497811147.db2.gz AHSQFHHVUJLJDO-WIYYLYMNSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000263766750 497814194 /nfs/dbraw/zinc/81/41/94/497814194.db2.gz ROMBNFWJKATLNG-IRXDYDNUSA-N 2 1 370.497 3.058 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000246857444 497816915 /nfs/dbraw/zinc/81/69/15/497816915.db2.gz CLIIRWFWFGKLMN-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccc(CC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000364175940 497825155 /nfs/dbraw/zinc/82/51/55/497825155.db2.gz JQCFTALYUHNMOQ-UHFFFAOYSA-N 2 1 371.569 3.192 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2coc(C[NH3+])c2)[C@H]1c1cccc(Cl)c1 ZINC000364218688 497845645 /nfs/dbraw/zinc/84/56/45/497845645.db2.gz XBJYPFVKQAUTKS-RDTXWAMCSA-N 2 1 361.873 3.205 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)c2cccs2)CC1 ZINC000572301241 505936863 /nfs/dbraw/zinc/93/68/63/505936863.db2.gz OUAGAEYYDVXUTG-VQTJNVASSA-N 2 1 371.550 3.409 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000364270831 497872935 /nfs/dbraw/zinc/87/29/35/497872935.db2.gz GVNVMACJNPDMSM-KZNAEPCWSA-N 2 1 361.534 3.226 20 0 FGADMP Cc1sc2nc(CN3CCCC3)nc(NC[C@H]3CCC[N@@H+]3C)c2c1C ZINC000301090142 497946832 /nfs/dbraw/zinc/94/68/32/497946832.db2.gz FJUBIEUTXKUJQL-OAHLLOKOSA-N 2 1 359.543 3.410 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CCC[N@@H+]3C)c2c1C ZINC000301090142 497946841 /nfs/dbraw/zinc/94/68/41/497946841.db2.gz FJUBIEUTXKUJQL-OAHLLOKOSA-N 2 1 359.543 3.410 20 0 FGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(OC)c1OCC(F)F ZINC000288984106 497968251 /nfs/dbraw/zinc/96/82/51/497968251.db2.gz CRRJHOFBTQUASK-CQSZACIVSA-N 2 1 372.456 3.121 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(OC)c1OCC(F)F ZINC000288984106 497968256 /nfs/dbraw/zinc/96/82/56/497968256.db2.gz CRRJHOFBTQUASK-CQSZACIVSA-N 2 1 372.456 3.121 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(F)F ZINC000288984106 497968261 /nfs/dbraw/zinc/96/82/61/497968261.db2.gz CRRJHOFBTQUASK-CQSZACIVSA-N 2 1 372.456 3.121 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(F)F ZINC000288984106 497968269 /nfs/dbraw/zinc/96/82/69/497968269.db2.gz CRRJHOFBTQUASK-CQSZACIVSA-N 2 1 372.456 3.121 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC3(CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000330112679 498026218 /nfs/dbraw/zinc/02/62/18/498026218.db2.gz CEUQHCFCKNSVSW-HKUYNNGSSA-N 2 1 373.545 3.157 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC3(CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000330112679 498026223 /nfs/dbraw/zinc/02/62/23/498026223.db2.gz CEUQHCFCKNSVSW-HKUYNNGSSA-N 2 1 373.545 3.157 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364228 505971749 /nfs/dbraw/zinc/97/17/49/505971749.db2.gz LFJRCOWHXKERLD-PEVTXAFISA-N 2 1 359.558 3.006 20 0 FGADMP Cc1cc(NCCC[NH+]2CCOCC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301362833 498075055 /nfs/dbraw/zinc/07/50/55/498075055.db2.gz PGDPLBFTDCNUJH-UHFFFAOYSA-N 2 1 351.397 3.279 20 0 FGADMP CC[NH+](CC)[C@@H](c1nc([C@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461617 498093350 /nfs/dbraw/zinc/09/33/50/498093350.db2.gz QSHWMNSLPLANLY-QZTJIDSGSA-N 2 1 358.486 3.283 20 0 FGADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285505266 498110440 /nfs/dbraw/zinc/11/04/40/498110440.db2.gz NABBHJGNIYVSIT-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP C[NH+](CCc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285505266 498110452 /nfs/dbraw/zinc/11/04/52/498110452.db2.gz NABBHJGNIYVSIT-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP C[NH+](CCc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285505266 498110459 /nfs/dbraw/zinc/11/04/59/498110459.db2.gz NABBHJGNIYVSIT-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285505266 498110445 /nfs/dbraw/zinc/11/04/45/498110445.db2.gz NABBHJGNIYVSIT-SJPCQFCGSA-N 2 1 360.889 3.490 20 0 FGADMP CC(C)(C[C@@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(N)=O ZINC000296635289 498130015 /nfs/dbraw/zinc/13/00/15/498130015.db2.gz XRBDRWUBXCBBSC-IBGZPJMESA-N 2 1 357.542 3.265 20 0 FGADMP CC(C)(C[C@@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(N)=O ZINC000296635289 498130019 /nfs/dbraw/zinc/13/00/19/498130019.db2.gz XRBDRWUBXCBBSC-IBGZPJMESA-N 2 1 357.542 3.265 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+]([C@H]3C[C@H]3C)C[C@H](C)C2)cc1 ZINC000581419210 505984888 /nfs/dbraw/zinc/98/48/88/505984888.db2.gz NTGHGVPRCCNGSH-JWWGGVBKSA-N 2 1 372.557 3.182 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285614674 498148474 /nfs/dbraw/zinc/14/84/74/498148474.db2.gz QGIKGWHIHRVNKA-HSZRJFAPSA-N 2 1 363.505 3.144 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc1 ZINC000285614674 498148468 /nfs/dbraw/zinc/14/84/68/498148468.db2.gz QGIKGWHIHRVNKA-HSZRJFAPSA-N 2 1 363.505 3.144 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285614674 498148482 /nfs/dbraw/zinc/14/84/82/498148482.db2.gz QGIKGWHIHRVNKA-HSZRJFAPSA-N 2 1 363.505 3.144 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000285614674 498148493 /nfs/dbraw/zinc/14/84/93/498148493.db2.gz QGIKGWHIHRVNKA-HSZRJFAPSA-N 2 1 363.505 3.144 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000575731785 505993640 /nfs/dbraw/zinc/99/36/40/505993640.db2.gz RJGUEMRSNCHLNN-MRXNPFEDSA-N 2 1 358.530 3.354 20 0 FGADMP CC[N@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289565752 498195185 /nfs/dbraw/zinc/19/51/85/498195185.db2.gz ZCCITJFRRVXJJY-UHFFFAOYSA-N 2 1 361.511 3.272 20 0 FGADMP CC[N@@H+](Cc1cnc(C2OCCO2)s1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289565752 498195189 /nfs/dbraw/zinc/19/51/89/498195189.db2.gz ZCCITJFRRVXJJY-UHFFFAOYSA-N 2 1 361.511 3.272 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000296808717 498204094 /nfs/dbraw/zinc/20/40/94/498204094.db2.gz INWNKTHTUASLAO-IBGZPJMESA-N 2 1 358.530 3.034 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927845 498213450 /nfs/dbraw/zinc/21/34/50/498213450.db2.gz CPJHCUNSNJGAHV-MFKCLSPESA-N 2 1 369.553 3.025 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292968918 498216321 /nfs/dbraw/zinc/21/63/21/498216321.db2.gz LALIUYDDLGGEEO-INIZCTEOSA-N 2 1 361.511 3.152 20 0 FGADMP C[C@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289686297 498248745 /nfs/dbraw/zinc/24/87/45/498248745.db2.gz ZXRYZPIIIXMHTM-AGOPTVSRSA-N 2 1 351.494 3.412 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950855 498250768 /nfs/dbraw/zinc/25/07/68/498250768.db2.gz DXTAJXFISBNJHV-RTWAWAEBSA-N 2 1 368.525 3.388 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950855 498250761 /nfs/dbraw/zinc/25/07/61/498250761.db2.gz DXTAJXFISBNJHV-RTWAWAEBSA-N 2 1 368.525 3.388 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](c3cncc(F)c3)C3CC3)CC2)nc(C)[nH+]1 ZINC000281793440 498271937 /nfs/dbraw/zinc/27/19/37/498271937.db2.gz XWERNKLGHYXGDD-HXUWFJFHSA-N 2 1 355.461 3.337 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000575803571 506008712 /nfs/dbraw/zinc/00/87/12/506008712.db2.gz SYXNBBKVHPERGY-JQHSSLGASA-N 2 1 371.506 3.156 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1 ZINC000575803571 506008717 /nfs/dbraw/zinc/00/87/17/506008717.db2.gz SYXNBBKVHPERGY-JQHSSLGASA-N 2 1 371.506 3.156 20 0 FGADMP CC[C@H](C)[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360465221 498277425 /nfs/dbraw/zinc/27/74/25/498277425.db2.gz DUTNKECNBNFHJD-ROUUACIJSA-N 2 1 351.579 3.323 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000581587771 506021401 /nfs/dbraw/zinc/02/14/01/506021401.db2.gz QYSWTWBPFKCMEN-QGZVFWFLSA-N 2 1 356.470 3.421 20 0 FGADMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233696 498364526 /nfs/dbraw/zinc/36/45/26/498364526.db2.gz KHSFPTCREVTUPC-UXHICEINSA-N 2 1 356.510 3.459 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233696 498364531 /nfs/dbraw/zinc/36/45/31/498364531.db2.gz KHSFPTCREVTUPC-UXHICEINSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233696 498364535 /nfs/dbraw/zinc/36/45/35/498364535.db2.gz KHSFPTCREVTUPC-UXHICEINSA-N 2 1 356.510 3.459 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000365233696 498364542 /nfs/dbraw/zinc/36/45/42/498364542.db2.gz KHSFPTCREVTUPC-UXHICEINSA-N 2 1 356.510 3.459 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)c(F)c3)CC2)CC1 ZINC000572660065 506023327 /nfs/dbraw/zinc/02/33/27/506023327.db2.gz YWVXMTCKQBQSIY-UHFFFAOYSA-N 2 1 351.441 3.100 20 0 FGADMP COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000361785049 498431649 /nfs/dbraw/zinc/43/16/49/498431649.db2.gz RDKJJNRZPUBEPU-SFHVURJKSA-N 2 1 367.497 3.076 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000290192129 498459141 /nfs/dbraw/zinc/45/91/41/498459141.db2.gz FZKXOLVUANPPJE-PXNSSMCTSA-N 2 1 370.468 3.178 20 0 FGADMP CC(C)(C(=O)N1CC[NH+](CCc2cccs2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000569922662 506048924 /nfs/dbraw/zinc/04/89/24/506048924.db2.gz ADAQHQFPFIOXNV-IBGZPJMESA-N 2 1 371.550 3.161 20 0 FGADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282516558 498542402 /nfs/dbraw/zinc/54/24/02/498542402.db2.gz ZJDUMNJBLYLPCS-GOSISDBHSA-N 2 1 374.573 3.143 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000581715382 506051786 /nfs/dbraw/zinc/05/17/86/506051786.db2.gz YDXOWFBUWRZGOV-MJGOQNOKSA-N 2 1 372.557 3.330 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999715 506052752 /nfs/dbraw/zinc/05/27/52/506052752.db2.gz LJJSBEGXNNFBJU-MYODQAERSA-N 2 1 372.321 3.324 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999715 506052755 /nfs/dbraw/zinc/05/27/55/506052755.db2.gz LJJSBEGXNNFBJU-MYODQAERSA-N 2 1 372.321 3.324 20 0 FGADMP Cc1cc(Br)cn2c(C[N@@H+](C)CCCn3ccnc3)cnc12 ZINC000290620462 498621303 /nfs/dbraw/zinc/62/13/03/498621303.db2.gz XEFQLQNJIUYWPN-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP CN(C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287117034 498634713 /nfs/dbraw/zinc/63/47/13/498634713.db2.gz LRPMOMHQKDVHLV-JGUMPVPUSA-N 2 1 370.541 3.090 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000302959681 498635241 /nfs/dbraw/zinc/63/52/41/498635241.db2.gz FUVKUXWZVYJIGW-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000303277910 498660457 /nfs/dbraw/zinc/66/04/57/498660457.db2.gz SXFIKRNKGYQEOF-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCCC1 ZINC000363158012 498678907 /nfs/dbraw/zinc/67/89/07/498678907.db2.gz RHIIINRKGCXFRI-VAMGGRTRSA-N 2 1 352.563 3.452 20 0 FGADMP Cn1cc([C@H]2[C@H](CNCc3c(F)cccc3Cl)CCC[N@@H+]2C)cn1 ZINC000363177781 498688929 /nfs/dbraw/zinc/68/89/29/498688929.db2.gz YKNOKSQYEMDKMH-SCLBCKFNSA-N 2 1 350.869 3.385 20 0 FGADMP Cn1cc([C@H]2[C@H](CNCc3c(F)cccc3Cl)CCC[N@H+]2C)cn1 ZINC000363177781 498688932 /nfs/dbraw/zinc/68/89/32/498688932.db2.gz YKNOKSQYEMDKMH-SCLBCKFNSA-N 2 1 350.869 3.385 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1O ZINC000290819172 498689185 /nfs/dbraw/zinc/68/91/85/498689185.db2.gz WWKDBELBKWNXEQ-UZLBHIALSA-N 2 1 370.493 3.208 20 0 FGADMP FC(F)(F)c1ccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000581884874 506082224 /nfs/dbraw/zinc/08/22/24/506082224.db2.gz KDSXEYFKMKNQOD-OKILXGFUSA-N 2 1 366.387 3.187 20 0 FGADMP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000290987827 498746240 /nfs/dbraw/zinc/74/62/40/498746240.db2.gz USVWJPFLBLFAAI-OAQYLSRUSA-N 2 1 367.541 3.169 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3OC)o2)C1 ZINC000363305868 498753604 /nfs/dbraw/zinc/75/36/04/498753604.db2.gz FKYMRRYXNGJXRW-KRWDZBQOSA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3OC)o2)C1 ZINC000363305868 498753608 /nfs/dbraw/zinc/75/36/08/498753608.db2.gz FKYMRRYXNGJXRW-KRWDZBQOSA-N 2 1 373.497 3.283 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Nc1cccc(F)c1 ZINC000312989794 498765588 /nfs/dbraw/zinc/76/55/88/498765588.db2.gz MCOYKYCCZPMZRD-DZFGPLHGSA-N 2 1 367.468 3.264 20 0 FGADMP O=C(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Nc1cccc(F)c1 ZINC000312989794 498765590 /nfs/dbraw/zinc/76/55/90/498765590.db2.gz MCOYKYCCZPMZRD-DZFGPLHGSA-N 2 1 367.468 3.264 20 0 FGADMP C[C@@H]1C[C@H](NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291113145 498801478 /nfs/dbraw/zinc/80/14/78/498801478.db2.gz KOIBLAPAZFMQTC-RLLPEYFOSA-N 2 1 371.569 3.007 20 0 FGADMP O[C@@H](COCc1ccc(Cl)cc1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000363404372 498803632 /nfs/dbraw/zinc/80/36/32/498803632.db2.gz LLNPZODPDOXJGS-HXUWFJFHSA-N 2 1 366.933 3.214 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000283189508 498810508 /nfs/dbraw/zinc/81/05/08/498810508.db2.gz KLPLSNNIMLUJQQ-LDQXTDLNSA-N 2 1 369.509 3.399 20 0 FGADMP Cc1cccc2c1cc[nH+]c2NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000572995789 506094767 /nfs/dbraw/zinc/09/47/67/506094767.db2.gz UFVWJWGPIDKBCE-ALOPSCKCSA-N 2 1 352.482 3.039 20 0 FGADMP Cc1cccc2c1cc[nH+]c2NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000572995789 506094772 /nfs/dbraw/zinc/09/47/72/506094772.db2.gz UFVWJWGPIDKBCE-ALOPSCKCSA-N 2 1 352.482 3.039 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291227624 498852219 /nfs/dbraw/zinc/85/22/19/498852219.db2.gz TTWWLPPRNRAJQL-GFCCVEGCSA-N 2 1 367.852 3.455 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326773 498876515 /nfs/dbraw/zinc/87/65/15/498876515.db2.gz FTOLKAHZQXASPJ-IHPCNDPISA-N 2 1 371.912 3.019 20 0 FGADMP C[C@@H](NCc1ncc(C(F)(F)F)cn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295040326 498888902 /nfs/dbraw/zinc/88/89/02/498888902.db2.gz ORURJRCVTKOSTA-ZBFHGGJFSA-N 2 1 364.415 3.496 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173202 506108152 /nfs/dbraw/zinc/10/81/52/506108152.db2.gz BNDWUKDCCMIAEC-GOSISDBHSA-N 2 1 359.514 3.272 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173202 506108153 /nfs/dbraw/zinc/10/81/53/506108153.db2.gz BNDWUKDCCMIAEC-GOSISDBHSA-N 2 1 359.514 3.272 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173202 506108156 /nfs/dbraw/zinc/10/81/56/506108156.db2.gz BNDWUKDCCMIAEC-GOSISDBHSA-N 2 1 359.514 3.272 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173202 506108160 /nfs/dbraw/zinc/10/81/60/506108160.db2.gz BNDWUKDCCMIAEC-GOSISDBHSA-N 2 1 359.514 3.272 20 0 FGADMP CCOc1ccccc1C[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363659905 498929001 /nfs/dbraw/zinc/92/90/01/498929001.db2.gz BZKWGIKMMAVJJF-UHFFFAOYSA-N 3 1 359.558 3.371 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000299029925 498945437 /nfs/dbraw/zinc/94/54/37/498945437.db2.gz RLFISDUWPHAVNL-AEFFLSMTSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N(C)Cc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000299029925 498945441 /nfs/dbraw/zinc/94/54/41/498945441.db2.gz RLFISDUWPHAVNL-AEFFLSMTSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485381 498947202 /nfs/dbraw/zinc/94/72/02/498947202.db2.gz VQWVOOYUAJMZCW-SUMWQHHRSA-N 2 1 355.404 3.060 20 0 FGADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000582030636 506116559 /nfs/dbraw/zinc/11/65/59/506116559.db2.gz ZTBVKKCZOKDNOS-UHFFFAOYSA-N 2 1 352.478 3.270 20 0 FGADMP COc1cc(Br)c(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1OC ZINC000573090978 506117011 /nfs/dbraw/zinc/11/70/11/506117011.db2.gz RTVVCDXFICGXGV-UHFFFAOYSA-N 2 1 365.271 3.215 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532916 498967702 /nfs/dbraw/zinc/96/77/02/498967702.db2.gz GCRILSJTDRJVIX-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532916 498967706 /nfs/dbraw/zinc/96/77/06/498967706.db2.gz GCRILSJTDRJVIX-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532916 498967712 /nfs/dbraw/zinc/96/77/12/498967712.db2.gz GCRILSJTDRJVIX-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782135 498989701 /nfs/dbraw/zinc/98/97/01/498989701.db2.gz GWBJPOYDVNPCMV-GMBSWORKSA-N 2 1 368.510 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(-n2cnnn2)cc1 ZINC000363782135 498989704 /nfs/dbraw/zinc/98/97/04/498989704.db2.gz GWBJPOYDVNPCMV-GMBSWORKSA-N 2 1 368.510 3.067 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cc(F)c(F)c(F)c3)no1)CC[NH2+]CC2 ZINC000333601143 499039493 /nfs/dbraw/zinc/03/94/93/499039493.db2.gz QLLKZKNVIHWXHT-LLVKDONJSA-N 2 1 366.387 3.118 20 0 FGADMP CC(=O)Nc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000363892114 499042679 /nfs/dbraw/zinc/04/26/79/499042679.db2.gz WJKNTEJUSFDDLA-UHFFFAOYSA-N 2 1 352.482 3.388 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000288511402 499044738 /nfs/dbraw/zinc/04/47/38/499044738.db2.gz IUFRGPWREXLIGD-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)c2)CCO1 ZINC000295545258 499048071 /nfs/dbraw/zinc/04/80/71/499048071.db2.gz WQDUETVLWBKARW-GOSISDBHSA-N 2 1 368.521 3.425 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)c2)CCO1 ZINC000295545258 499048077 /nfs/dbraw/zinc/04/80/77/499048077.db2.gz WQDUETVLWBKARW-GOSISDBHSA-N 2 1 368.521 3.425 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3c(F)cccc3F)CC2)CC1 ZINC000367057853 499141394 /nfs/dbraw/zinc/14/13/94/499141394.db2.gz NRFAVPOBGUHJCP-UHFFFAOYSA-N 2 1 363.496 3.470 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)C12CCOCC2 ZINC000369898586 499147966 /nfs/dbraw/zinc/14/79/66/499147966.db2.gz SCPGNPIJNNSYSR-GDAAHCPNSA-N 2 1 364.555 3.305 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)C12CCOCC2 ZINC000369898586 499147968 /nfs/dbraw/zinc/14/79/68/499147968.db2.gz SCPGNPIJNNSYSR-GDAAHCPNSA-N 2 1 364.555 3.305 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000367245511 499167497 /nfs/dbraw/zinc/16/74/97/499167497.db2.gz YBTQODBBEYMPRZ-IBGZPJMESA-N 2 1 365.512 3.245 20 0 FGADMP C[C@H]1CCCC[C@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370026820 499168322 /nfs/dbraw/zinc/16/83/22/499168322.db2.gz MAUWWZPWZYCVPH-FXAWDEMLSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367343276 499185225 /nfs/dbraw/zinc/18/52/25/499185225.db2.gz MOGNOYCQFOKPQE-UHFFFAOYSA-N 2 1 353.514 3.192 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576346102 506136528 /nfs/dbraw/zinc/13/65/28/506136528.db2.gz YZMJCJVQMIMWSD-HXUWFJFHSA-N 2 1 355.526 3.176 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576346102 506136531 /nfs/dbraw/zinc/13/65/31/506136531.db2.gz YZMJCJVQMIMWSD-HXUWFJFHSA-N 2 1 355.526 3.176 20 0 FGADMP C(C[NH+]1CCCCC1)C[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000372905984 499192743 /nfs/dbraw/zinc/19/27/43/499192743.db2.gz ZDCUFQPWRQZMHK-IBGZPJMESA-N 2 1 371.573 3.450 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300072 499207107 /nfs/dbraw/zinc/20/71/07/499207107.db2.gz HYGAPDSBOFXYBV-YQQAZPJKSA-N 2 1 366.575 3.016 20 0 FGADMP Cn1cc(N2CC[C@@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)C2)cn1 ZINC000367596255 499216068 /nfs/dbraw/zinc/21/60/68/499216068.db2.gz GGHAFLIXAONEKN-NYLDSWQDSA-N 2 1 367.541 3.032 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367621765 499219045 /nfs/dbraw/zinc/21/90/45/499219045.db2.gz TVTKLVMMYUSSCN-ZMSDIMECSA-N 2 1 365.905 3.140 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979693 499251726 /nfs/dbraw/zinc/25/17/26/499251726.db2.gz ZCQGRHVPGXYOMB-QZTJIDSGSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979693 499251727 /nfs/dbraw/zinc/25/17/27/499251727.db2.gz ZCQGRHVPGXYOMB-QZTJIDSGSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000367979693 499251729 /nfs/dbraw/zinc/25/17/29/499251729.db2.gz ZCQGRHVPGXYOMB-QZTJIDSGSA-N 2 1 362.518 3.161 20 0 FGADMP COCCn1cc2c(n1)[C@@H](N[C@H](C)c1ccc(-n3ccnc3)cc1)CCC2 ZINC000368187709 499272783 /nfs/dbraw/zinc/27/27/83/499272783.db2.gz HYNHNDSTXZFURX-UZLBHIALSA-N 2 1 365.481 3.443 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3coc4ccccc34)CC2)CC1 ZINC000371083627 499287087 /nfs/dbraw/zinc/28/70/87/499287087.db2.gz CXBDCSREIHOHGA-UHFFFAOYSA-N 2 1 369.509 3.359 20 0 FGADMP CCCCSCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371088011 499287391 /nfs/dbraw/zinc/28/73/91/499287391.db2.gz NKKGCOIJGGPWRO-UHFFFAOYSA-N 2 1 369.619 3.222 20 0 FGADMP Cc1ccc(C)c(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000371088017 499287460 /nfs/dbraw/zinc/28/74/60/499287460.db2.gz NLBXFLPOMGLEBA-UHFFFAOYSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)/C=C/c3ccsc3)CC2)CC1 ZINC000371095863 499288150 /nfs/dbraw/zinc/28/81/50/499288150.db2.gz XYILLHFHVYQGPE-NSCUHMNNSA-N 2 1 361.555 3.074 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371106245 499289013 /nfs/dbraw/zinc/28/90/13/499289013.db2.gz JFQHCCSGRIVUJW-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300390 499307434 /nfs/dbraw/zinc/30/74/34/499307434.db2.gz PCEWVBVMVDBYOT-BPQIPLTHSA-N 2 1 372.431 3.311 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300390 499307435 /nfs/dbraw/zinc/30/74/35/499307435.db2.gz PCEWVBVMVDBYOT-BPQIPLTHSA-N 2 1 372.431 3.311 20 0 FGADMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(CO)c1 ZINC000368586966 499310648 /nfs/dbraw/zinc/31/06/48/499310648.db2.gz AOBJQFRVNQIUOJ-SFHVURJKSA-N 3 1 359.558 3.026 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329858 499311133 /nfs/dbraw/zinc/31/11/33/499311133.db2.gz OPRUVDUVMIRKOE-XLIONFOSSA-N 2 1 369.509 3.208 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000368785941 499332764 /nfs/dbraw/zinc/33/27/64/499332764.db2.gz WPNGHZJYCAGYLT-HNNXBMFYSA-N 2 1 352.482 3.232 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000371520629 499337430 /nfs/dbraw/zinc/33/74/30/499337430.db2.gz VCSVBLSFLNPOFK-FYYLOGMGSA-N 2 1 364.537 3.329 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000371586029 499344660 /nfs/dbraw/zinc/34/46/60/499344660.db2.gz WABHJGCFGNXEFQ-JKSUJKDBSA-N 2 1 367.497 3.191 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000371586029 499344662 /nfs/dbraw/zinc/34/46/62/499344662.db2.gz WABHJGCFGNXEFQ-JKSUJKDBSA-N 2 1 367.497 3.191 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nnc(C3CC3)n1C1CC1)CC2)C1CC1 ZINC000371694663 499355921 /nfs/dbraw/zinc/35/59/21/499355921.db2.gz UOFQSAOWGAASAN-INIZCTEOSA-N 2 1 355.530 3.187 20 0 FGADMP COc1ccc(C[C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000369106850 499366022 /nfs/dbraw/zinc/36/60/22/499366022.db2.gz MJUBRBPGAHLNNT-OAQYLSRUSA-N 2 1 359.558 3.118 20 0 FGADMP CC(C)c1nccn1[C@@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000369257230 499384077 /nfs/dbraw/zinc/38/40/77/499384077.db2.gz HSLSQQPZXGGTLA-OAHLLOKOSA-N 2 1 350.470 3.199 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000369397769 499399381 /nfs/dbraw/zinc/39/93/81/499399381.db2.gz JIAAGFUYIRJGDZ-KRWDZBQOSA-N 2 1 355.448 3.306 20 0 FGADMP Cc1cc(F)ccc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372110337 499399948 /nfs/dbraw/zinc/39/99/48/499399948.db2.gz CFHAOVIWQCQEQS-UHFFFAOYSA-N 2 1 361.505 3.060 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000369514112 499411110 /nfs/dbraw/zinc/41/11/10/499411110.db2.gz XRSBJGHMILIIBM-MSOLQXFVSA-N 2 1 361.534 3.085 20 0 FGADMP c1cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)ccc1C[NH+]1CCC[C@H]2OCC[C@H]21 ZINC000369541907 499415100 /nfs/dbraw/zinc/41/51/00/499415100.db2.gz QQTFHKICVWQDRN-GXRSIYKFSA-N 2 1 356.510 3.193 20 0 FGADMP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC000372436274 499434505 /nfs/dbraw/zinc/43/45/05/499434505.db2.gz IBTBKVRQXXVXFN-WOJBJXKFSA-N 2 1 353.466 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000373157253 499454310 /nfs/dbraw/zinc/45/43/10/499454310.db2.gz ZJERWQSOLDAMKE-AYOQOUSVSA-N 2 1 368.468 3.310 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000378214748 499490875 /nfs/dbraw/zinc/49/08/75/499490875.db2.gz LJSLIOMMYJUSBT-RBUKOAKNSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000378214748 499490877 /nfs/dbraw/zinc/49/08/77/499490877.db2.gz LJSLIOMMYJUSBT-RBUKOAKNSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC([N@H+]3CCC[C@@H]3C)CC2)C1 ZINC000378214748 499490879 /nfs/dbraw/zinc/49/08/79/499490879.db2.gz LJSLIOMMYJUSBT-RBUKOAKNSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CC[C@H](C)N1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378388300 499510859 /nfs/dbraw/zinc/51/08/59/499510859.db2.gz HOZXMNRBMXLRDV-PKOBYXMFSA-N 2 1 364.578 3.155 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NCc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000375479773 499524121 /nfs/dbraw/zinc/52/41/21/499524121.db2.gz DNRSPDBMGIGZBU-DENIHFKCSA-N 2 1 369.484 3.115 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NCc2ccc(F)cc2)[C@H]1c1ccccc1 ZINC000375479773 499524123 /nfs/dbraw/zinc/52/41/23/499524123.db2.gz DNRSPDBMGIGZBU-DENIHFKCSA-N 2 1 369.484 3.115 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000375520559 499528084 /nfs/dbraw/zinc/52/80/84/499528084.db2.gz BCUIZVWDFXTKQP-ROUUACIJSA-N 2 1 374.529 3.394 20 0 FGADMP Cc1ccc(N2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)[nH+]c1 ZINC000378577384 499533591 /nfs/dbraw/zinc/53/35/91/499533591.db2.gz DMHBJNVWVNKMKX-UHFFFAOYSA-N 2 1 357.527 3.074 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632560 499541879 /nfs/dbraw/zinc/54/18/79/499541879.db2.gz SQKUUAPJMAPZHL-CEMLEFRQSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379632560 499541881 /nfs/dbraw/zinc/54/18/81/499541881.db2.gz SQKUUAPJMAPZHL-CEMLEFRQSA-N 2 1 368.521 3.377 20 0 FGADMP COc1cc2c(cc1F)nccc2N[C@@H]1CCCN(Cc2noc(C)n2)C1 ZINC000375667710 499542976 /nfs/dbraw/zinc/54/29/76/499542976.db2.gz ZPHSAYLYWJXCEF-CYBMUJFWSA-N 2 1 371.416 3.150 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1ccccc1 ZINC000397962200 499565704 /nfs/dbraw/zinc/56/57/04/499565704.db2.gz FOADEBGHVLUSRG-OIBXWCBGSA-N 2 1 368.521 3.064 20 0 FGADMP C[C@]1(CNCc2ccc3c(c2)NC(=O)CO3)CCC[N@@H+]1Cc1ccccc1 ZINC000397978058 499565784 /nfs/dbraw/zinc/56/57/84/499565784.db2.gz LMOAJNIJMCURFK-JOCHJYFZSA-N 2 1 365.477 3.162 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062421 499566056 /nfs/dbraw/zinc/56/60/56/499566056.db2.gz MUBRXCRTUPZJKK-QUCCMNQESA-N 2 1 357.542 3.313 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000375906660 499567473 /nfs/dbraw/zinc/56/74/73/499567473.db2.gz WEIYEYGDLNNVNN-SFHVURJKSA-N 2 1 366.347 3.049 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000375906660 499567475 /nfs/dbraw/zinc/56/74/75/499567475.db2.gz WEIYEYGDLNNVNN-SFHVURJKSA-N 2 1 366.347 3.049 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000401788940 499569491 /nfs/dbraw/zinc/56/94/91/499569491.db2.gz VHJUSPBJVUIKSR-UHFFFAOYSA-N 2 1 360.202 3.116 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000376165720 499588135 /nfs/dbraw/zinc/58/81/35/499588135.db2.gz IUFBHURXUWQQGT-LJQANCHMSA-N 2 1 372.557 3.293 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)CC2)cs1 ZINC000376168581 499588515 /nfs/dbraw/zinc/58/85/15/499588515.db2.gz XIWBPEMZXSDWDW-QRVBRYPASA-N 2 1 363.571 3.457 20 0 FGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167417 499588523 /nfs/dbraw/zinc/58/85/23/499588523.db2.gz QBXSHWJIGZDXFV-SJLPKXTDSA-N 2 1 360.546 3.340 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167417 499588524 /nfs/dbraw/zinc/58/85/24/499588524.db2.gz QBXSHWJIGZDXFV-SJLPKXTDSA-N 2 1 360.546 3.340 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000579339874 506150965 /nfs/dbraw/zinc/15/09/65/506150965.db2.gz YHDYUTWIACZPRM-UHFFFAOYSA-N 2 1 361.534 3.017 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)Cc1ccccc1 ZINC000409533764 499604221 /nfs/dbraw/zinc/60/42/21/499604221.db2.gz XZDIWFLSYYJOLF-PMACEKPBSA-N 2 1 373.928 3.232 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000377348711 499681870 /nfs/dbraw/zinc/68/18/70/499681870.db2.gz BPEJVAFOYSKXTJ-HXUWFJFHSA-N 2 1 351.494 3.095 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000377348708 499681984 /nfs/dbraw/zinc/68/19/84/499681984.db2.gz BPEJVAFOYSKXTJ-FQEVSTJZSA-N 2 1 351.494 3.095 20 0 FGADMP COc1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377362081 499683335 /nfs/dbraw/zinc/68/33/35/499683335.db2.gz ZUMHBGPLAGFBAS-JOCHJYFZSA-N 2 1 370.493 3.411 20 0 FGADMP Cc1cc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)no1 ZINC000411132914 499701288 /nfs/dbraw/zinc/70/12/88/499701288.db2.gz JEXSDKPBIGGBBO-UHFFFAOYSA-N 2 1 368.525 3.287 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628126 499712527 /nfs/dbraw/zinc/71/25/27/499712527.db2.gz OAJJHLQZHAHPRN-YLJYHZDGSA-N 2 1 373.541 3.009 20 0 FGADMP C[N@@H+](Cc1cccc(-c2cccnc2)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626792 499712733 /nfs/dbraw/zinc/71/27/33/499712733.db2.gz MQMZPQNQPHKNEA-QHCPKHFHSA-N 2 1 364.537 3.349 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377648091 499715227 /nfs/dbraw/zinc/71/52/27/499715227.db2.gz KSZPUBDJWWJMRE-QGZVFWFLSA-N 2 1 374.525 3.484 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377701482 499721999 /nfs/dbraw/zinc/72/19/99/499721999.db2.gz SZYOUVMHDQRYLB-DLBZAZTESA-N 2 1 352.482 3.265 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377701482 499722001 /nfs/dbraw/zinc/72/20/01/499722001.db2.gz SZYOUVMHDQRYLB-DLBZAZTESA-N 2 1 352.482 3.265 20 0 FGADMP CC(CC[NH+]1CCC2(C1)CCOCC2)CC[N@H+]1CCC2(C1)CCOCC2 ZINC000411296932 499723291 /nfs/dbraw/zinc/72/32/91/499723291.db2.gz LJIBZHFESIKDEV-UHFFFAOYSA-N 2 1 364.574 3.408 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000377713551 499724349 /nfs/dbraw/zinc/72/43/49/499724349.db2.gz YSPKJSFQXZZSMM-FQEVSTJZSA-N 2 1 366.509 3.056 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N1CCc2ccccc2C1 ZINC000377713551 499724351 /nfs/dbraw/zinc/72/43/51/499724351.db2.gz YSPKJSFQXZZSMM-FQEVSTJZSA-N 2 1 366.509 3.056 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411636991 499771597 /nfs/dbraw/zinc/77/15/97/499771597.db2.gz PUQWEGVOVXPSBK-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000414257618 499771933 /nfs/dbraw/zinc/77/19/33/499771933.db2.gz FLPQFFFVQFWSLI-LNRXMEIDSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC[C@H]1CCOC ZINC000414257618 499771935 /nfs/dbraw/zinc/77/19/35/499771935.db2.gz FLPQFFFVQFWSLI-LNRXMEIDSA-N 2 1 360.542 3.318 20 0 FGADMP CC(CC[NH+]1CCC[C@@H]([NH+](C)C)CC1)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000411638567 499771968 /nfs/dbraw/zinc/77/19/68/499771968.db2.gz RZOSBRBEYAXBRI-FGZHOGPDSA-N 4 1 366.638 3.235 20 0 FGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000411734014 499784326 /nfs/dbraw/zinc/78/43/26/499784326.db2.gz HIURPIDNCMMELV-HNNXBMFYSA-N 2 1 367.488 3.308 20 0 FGADMP CC(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411744544 499785446 /nfs/dbraw/zinc/78/54/46/499785446.db2.gz UHDJSRLISPYGNI-HXUWFJFHSA-N 2 1 357.542 3.411 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000414523935 499803000 /nfs/dbraw/zinc/80/30/00/499803000.db2.gz FZBNRQFUNDVFMV-FGZHOGPDSA-N 2 1 370.541 3.399 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cn(C(C)C)nc1C ZINC000414523935 499803002 /nfs/dbraw/zinc/80/30/02/499803002.db2.gz FZBNRQFUNDVFMV-FGZHOGPDSA-N 2 1 370.541 3.399 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747867 499826237 /nfs/dbraw/zinc/82/62/37/499826237.db2.gz NIFYZVBFJKASFH-JKIFEVAISA-N 2 1 353.304 3.211 20 0 FGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772379 499829373 /nfs/dbraw/zinc/82/93/73/499829373.db2.gz BULTVGSSFRCAEK-PMACEKPBSA-N 2 1 351.494 3.482 20 0 FGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772387 499829450 /nfs/dbraw/zinc/82/94/50/499829450.db2.gz BULTVGSSFRCAEK-WOJBJXKFSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc(C)c1OC(F)F ZINC000414777420 499829958 /nfs/dbraw/zinc/82/99/58/499829958.db2.gz FHQAGIAUMWAUOM-MRXNPFEDSA-N 2 1 354.441 3.092 20 0 FGADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414789689 499831297 /nfs/dbraw/zinc/83/12/97/499831297.db2.gz FSTDNYVTFKFWAO-GFCCVEGCSA-N 2 1 350.098 3.285 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]CC(C)(C)[NH3+])cc1OCC ZINC000414803200 499832984 /nfs/dbraw/zinc/83/29/84/499832984.db2.gz LXNJDNSJYWWOGS-UHFFFAOYSA-N 2 1 359.308 3.464 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414810273 499833462 /nfs/dbraw/zinc/83/34/62/499833462.db2.gz VESHWBFOMBPURF-ZFWWWQNUSA-N 2 1 363.303 3.446 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414810267 499833577 /nfs/dbraw/zinc/83/35/77/499833577.db2.gz VESHWBFOMBPURF-DZGCQCFKSA-N 2 1 363.303 3.446 20 0 FGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813841 499833748 /nfs/dbraw/zinc/83/37/48/499833748.db2.gz MZSIJLZCSXZPPD-DOMZBBRYSA-N 2 1 356.308 3.273 20 0 FGADMP [NH3+]C[C@H]([NH2+]Cc1cnc2ccc(Br)cn12)C1CCCCC1 ZINC000414833560 499835582 /nfs/dbraw/zinc/83/55/82/499835582.db2.gz GAFNFDMJYBZJSX-HNNXBMFYSA-N 2 1 351.292 3.094 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414832824 499835655 /nfs/dbraw/zinc/83/56/55/499835655.db2.gz DYGQKNHKFHYXNG-OXJNMPFZSA-N 2 1 371.525 3.339 20 0 FGADMP COc1ccc([C@H]2CCNC[C@H]2[NH2+]Cc2cc(OC)c(OC)cc2C)cc1 ZINC000414884947 499841168 /nfs/dbraw/zinc/84/11/68/499841168.db2.gz OOTNNQZAUDVATE-WOJBJXKFSA-N 2 1 370.493 3.256 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[NH2+][C@H](C)C3)c2)cc1 ZINC000414958370 499848966 /nfs/dbraw/zinc/84/89/66/499848966.db2.gz WQCJUWPEFYEBKX-CRAIPNDOSA-N 2 1 353.466 3.178 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414993446 499852656 /nfs/dbraw/zinc/85/26/56/499852656.db2.gz CIWDXYXEEJKLSC-CMPLNLGQSA-N 2 1 365.237 3.354 20 0 FGADMP COc1cc(Cl)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000415051386 499858344 /nfs/dbraw/zinc/85/83/44/499858344.db2.gz JNWITAPLTJQGSE-UHFFFAOYSA-N 2 1 372.340 3.308 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCc1cccnc1 ZINC000415059212 499859312 /nfs/dbraw/zinc/85/93/12/499859312.db2.gz XNGZBFDCEYFHQX-IIBYNOLFSA-N 2 1 355.482 3.086 20 0 FGADMP C[N@@H+](Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C[C@@H](O)C[NH3+] ZINC000415069961 499860513 /nfs/dbraw/zinc/86/05/13/499860513.db2.gz PSNFNPAKZZSDIF-HNNXBMFYSA-N 2 1 354.372 3.249 20 0 FGADMP C[N@H+](Cc1cccc(Oc2cccc(C(F)(F)F)c2)c1)C[C@@H](O)C[NH3+] ZINC000415069961 499860515 /nfs/dbraw/zinc/86/05/15/499860515.db2.gz PSNFNPAKZZSDIF-HNNXBMFYSA-N 2 1 354.372 3.249 20 0 FGADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415103889 499863977 /nfs/dbraw/zinc/86/39/77/499863977.db2.gz KJMRJEZDTDIIDY-TUNNFDKTSA-N 2 1 352.478 3.200 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000415132427 499868386 /nfs/dbraw/zinc/86/83/86/499868386.db2.gz UEQVGAUVTXPYGI-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000412691810 499875890 /nfs/dbraw/zinc/87/58/90/499875890.db2.gz CHKFLGDGBQXLQS-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000412691810 499875892 /nfs/dbraw/zinc/87/58/92/499875892.db2.gz CHKFLGDGBQXLQS-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415917878 499928171 /nfs/dbraw/zinc/92/81/71/499928171.db2.gz JTRBXJZDWFTEDG-JXFKEZNVSA-N 2 1 352.482 3.363 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417050381 499957872 /nfs/dbraw/zinc/95/78/72/499957872.db2.gz WUCHRMJCNWODRV-AQNXPRMDSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201214 499979622 /nfs/dbraw/zinc/97/96/22/499979622.db2.gz RKAWZEHNVOGROD-DSKINZAPSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000413563051 499992077 /nfs/dbraw/zinc/99/20/77/499992077.db2.gz BADGHWVUSCGTIO-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000413563051 499992079 /nfs/dbraw/zinc/99/20/79/499992079.db2.gz BADGHWVUSCGTIO-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000429107981 500004715 /nfs/dbraw/zinc/00/47/15/500004715.db2.gz SCHHBOBIOLSFNJ-GOSISDBHSA-N 2 1 351.494 3.048 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3OCC3CC3)CC2)CC1 ZINC000421364963 500027213 /nfs/dbraw/zinc/02/72/13/500027213.db2.gz AEEOUEZKWQQRNJ-UHFFFAOYSA-N 2 1 371.569 3.467 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386076 500034802 /nfs/dbraw/zinc/03/48/02/500034802.db2.gz RFHNRYPTMCOGQM-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386076 500034805 /nfs/dbraw/zinc/03/48/05/500034805.db2.gz RFHNRYPTMCOGQM-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386076 500034811 /nfs/dbraw/zinc/03/48/11/500034811.db2.gz RFHNRYPTMCOGQM-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386076 500034814 /nfs/dbraw/zinc/03/48/14/500034814.db2.gz RFHNRYPTMCOGQM-OAQYLSRUSA-N 2 1 369.553 3.330 20 0 FGADMP CSC[C@@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@@H](CSC)C3)COC2)C1 ZINC000429297025 500046396 /nfs/dbraw/zinc/04/63/96/500046396.db2.gz CLCABYMIRSDZIA-QZTJIDSGSA-N 2 1 372.644 3.153 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)C[C@H]1C ZINC000570462186 506173133 /nfs/dbraw/zinc/17/31/33/506173133.db2.gz BMFWORKIZRWJKN-IZZBFERCSA-N 3 1 359.558 3.055 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000417400706 500061745 /nfs/dbraw/zinc/06/17/45/500061745.db2.gz KWTNJJUAUNKLPW-HXUWFJFHSA-N 2 1 372.557 3.058 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425319541 500074250 /nfs/dbraw/zinc/07/42/50/500074250.db2.gz CVJIDRQBYHTHIK-AWEZNQCLSA-N 2 1 352.548 3.405 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000425445781 500108587 /nfs/dbraw/zinc/10/85/87/500108587.db2.gz NKIRJJURZDKTIV-ZRBLBEILSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000425445781 500108590 /nfs/dbraw/zinc/10/85/90/500108590.db2.gz NKIRJJURZDKTIV-ZRBLBEILSA-N 2 1 350.506 3.044 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000417586927 500117777 /nfs/dbraw/zinc/11/77/77/500117777.db2.gz RICNISNEIXLVGF-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000579455044 506178928 /nfs/dbraw/zinc/17/89/28/506178928.db2.gz NWGJCATYCXLBHL-RDJZCZTQSA-N 2 1 360.889 3.397 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000417736853 500160477 /nfs/dbraw/zinc/16/04/77/500160477.db2.gz MZBQGOIHUVRLJG-LJQANCHMSA-N 2 1 372.513 3.084 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417736853 500160478 /nfs/dbraw/zinc/16/04/78/500160478.db2.gz MZBQGOIHUVRLJG-LJQANCHMSA-N 2 1 372.513 3.084 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000416968895 500169307 /nfs/dbraw/zinc/16/93/07/500169307.db2.gz BADPLZOGYSNKPW-MSOLQXFVSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416968530 500169426 /nfs/dbraw/zinc/16/94/26/500169426.db2.gz JJGHAKHADSRNJK-OPYAIIAOSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)COC3CCC([NH3+])CC3)cc2)C1 ZINC000582299020 506180511 /nfs/dbraw/zinc/18/05/11/506180511.db2.gz PDDMLRLDIMMVGM-VQSBYGRUSA-N 2 1 359.514 3.144 20 0 FGADMP CCCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000417833823 500180739 /nfs/dbraw/zinc/18/07/39/500180739.db2.gz UWGMTOLRNMWWAW-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000579463669 506181134 /nfs/dbraw/zinc/18/11/34/506181134.db2.gz FAZRTVBDODGFOH-NXEWRWPSSA-N 2 1 360.542 3.247 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872087 500188212 /nfs/dbraw/zinc/18/82/12/500188212.db2.gz IIEAVLCFRRRVPY-DYESRHJHSA-N 2 1 368.525 3.117 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000417874010 500188853 /nfs/dbraw/zinc/18/88/53/500188853.db2.gz JYGCDBDQYTYWTF-XLIONFOSSA-N 2 1 360.546 3.106 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000417874412 500189101 /nfs/dbraw/zinc/18/91/01/500189101.db2.gz KDYHKPABIZCBKW-FXAWDEMLSA-N 2 1 360.546 3.235 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417919342 500198183 /nfs/dbraw/zinc/19/81/83/500198183.db2.gz FSSAAMLZUKTVGS-CEWLAPEOSA-N 2 1 374.573 3.302 20 0 FGADMP C[C@@H]1C[C@H](NCc2ccccc2C(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000417932248 500199918 /nfs/dbraw/zinc/19/99/18/500199918.db2.gz MBGUKHOQWUZWCO-XLIONFOSSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H]1C[C@H](NCc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417932248 500199920 /nfs/dbraw/zinc/19/99/20/500199920.db2.gz MBGUKHOQWUZWCO-XLIONFOSSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417996472 500211530 /nfs/dbraw/zinc/21/15/30/500211530.db2.gz GSLBVFDPBYFFBH-IAGOWNOFSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417996472 500211532 /nfs/dbraw/zinc/21/15/32/500211532.db2.gz GSLBVFDPBYFFBH-IAGOWNOFSA-N 2 1 370.900 3.041 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472095 506182605 /nfs/dbraw/zinc/18/26/05/506182605.db2.gz AEDNCSGNHCDAQY-NHCUHLMSSA-N 3 1 359.558 3.130 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472095 506182608 /nfs/dbraw/zinc/18/26/08/506182608.db2.gz AEDNCSGNHCDAQY-NHCUHLMSSA-N 3 1 359.558 3.130 20 0 FGADMP C[C@]1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044851 500219972 /nfs/dbraw/zinc/21/99/72/500219972.db2.gz NLHJKCYDZORMOV-RBBKRZOGSA-N 2 1 366.509 3.040 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)cc1 ZINC000573377245 506183314 /nfs/dbraw/zinc/18/33/14/506183314.db2.gz GXGIMNCVTYSTDY-KRWDZBQOSA-N 2 1 370.497 3.113 20 0 FGADMP CCn1nncc1C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418075617 500226262 /nfs/dbraw/zinc/22/62/62/500226262.db2.gz HJWRAFHDXZSNLT-OAQYLSRUSA-N 2 1 367.541 3.421 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418188961 500245891 /nfs/dbraw/zinc/24/58/91/500245891.db2.gz VBUWOQJKUCQJAX-BMGDILEWSA-N 2 1 366.937 3.163 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430619671 500262943 /nfs/dbraw/zinc/26/29/43/500262943.db2.gz AHHGFZSACDTUTA-LAUBAEHRSA-N 2 1 371.550 3.275 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641752 500265009 /nfs/dbraw/zinc/26/50/09/500265009.db2.gz UBYTWLPAAMOUIW-SUMWQHHRSA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641752 500265011 /nfs/dbraw/zinc/26/50/11/500265011.db2.gz UBYTWLPAAMOUIW-SUMWQHHRSA-N 2 1 370.324 3.328 20 0 FGADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2s1 ZINC000426422821 500271232 /nfs/dbraw/zinc/27/12/32/500271232.db2.gz YCCSFSBOQXDYSX-DNVCBOLYSA-N 2 1 358.555 3.063 20 0 FGADMP Cc1nc2ccc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2s1 ZINC000426422821 500271233 /nfs/dbraw/zinc/27/12/33/500271233.db2.gz YCCSFSBOQXDYSX-DNVCBOLYSA-N 2 1 358.555 3.063 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418407834 500273058 /nfs/dbraw/zinc/27/30/58/500273058.db2.gz MDCVTXZCUDKRMQ-CWJKEVGVSA-N 2 1 372.557 3.198 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418488874 500282652 /nfs/dbraw/zinc/28/26/52/500282652.db2.gz KYIREYFDWVHAGK-LAUBAEHRSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418514862 500286673 /nfs/dbraw/zinc/28/66/73/500286673.db2.gz HVGMXXMHKUJQAW-GOSISDBHSA-N 2 1 364.578 3.062 20 0 FGADMP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418512978 500286778 /nfs/dbraw/zinc/28/67/78/500286778.db2.gz FOMPYCRHWDAWDO-KAGYGMCKSA-N 2 1 372.557 3.243 20 0 FGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000422711966 500288718 /nfs/dbraw/zinc/28/87/18/500288718.db2.gz NOLHEGBYRNDKHJ-BMFZPTHFSA-N 2 1 352.320 3.148 20 0 FGADMP COc1ccc([C@@H](NCC[N@@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422730668 500291685 /nfs/dbraw/zinc/29/16/85/500291685.db2.gz FCXFOAKIDJUKCW-TZIWHRDSSA-N 2 1 371.550 3.198 20 0 FGADMP COc1ccc([C@@H](NCC[N@H+]2CCc3sccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422730668 500291688 /nfs/dbraw/zinc/29/16/88/500291688.db2.gz FCXFOAKIDJUKCW-TZIWHRDSSA-N 2 1 371.550 3.198 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418602543 500296230 /nfs/dbraw/zinc/29/62/30/500296230.db2.gz VUOBBTZYDYXNML-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@H](NC[C@@H](c2ccsc2)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422809843 500300894 /nfs/dbraw/zinc/30/08/94/500300894.db2.gz SLTNCBDWOYUUTN-AABGKKOBSA-N 2 1 359.539 3.442 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)c3c[nH+]ccc3N)CC2)c1 ZINC000422809645 500301395 /nfs/dbraw/zinc/30/13/95/500301395.db2.gz MKDCYMXEYMKKEK-LJQANCHMSA-N 3 1 367.541 3.056 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000418660608 500303532 /nfs/dbraw/zinc/30/35/32/500303532.db2.gz OFEGXMZMKPTDGY-JBACZVJFSA-N 2 1 370.541 3.125 20 0 FGADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422835856 500303922 /nfs/dbraw/zinc/30/39/22/500303922.db2.gz JGCRGHRNLVAUAC-IRLDBZIGSA-N 3 1 355.526 3.239 20 0 FGADMP CCC[C@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418664825 500304090 /nfs/dbraw/zinc/30/40/90/500304090.db2.gz BBWUCBQHJWJJFK-ICSRJNTNSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H]1C[NH3+] ZINC000422850472 500305630 /nfs/dbraw/zinc/30/56/30/500305630.db2.gz NOYMSXSJWUAOEI-SUMDDJOVSA-N 2 1 358.530 3.079 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418687593 500308063 /nfs/dbraw/zinc/30/80/63/500308063.db2.gz DNJBEGCUPJRDEN-WSTZPKSXSA-N 2 1 360.546 3.198 20 0 FGADMP COc1ccc(OCc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000430930558 500309243 /nfs/dbraw/zinc/30/92/43/500309243.db2.gz TXQHJULGJAUQPB-UHFFFAOYSA-N 2 1 373.522 3.306 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3C[C@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916280 500316504 /nfs/dbraw/zinc/31/65/04/500316504.db2.gz DFJRVIYQJGYABN-FCHUYYIVSA-N 2 1 350.510 3.381 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915282 500316526 /nfs/dbraw/zinc/31/65/26/500316526.db2.gz APVCFNKVJAVHQE-BHDDXSALSA-N 2 1 356.558 3.157 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000422931748 500318881 /nfs/dbraw/zinc/31/88/81/500318881.db2.gz CSRIWYQPZNOPST-BXKDBHETSA-N 2 1 361.799 3.009 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418763177 500319854 /nfs/dbraw/zinc/31/98/54/500319854.db2.gz HUOTWGOXBBZXCW-AZUAARDMSA-N 2 1 364.578 3.205 20 0 FGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc(Br)c1OC ZINC000422947705 500321590 /nfs/dbraw/zinc/32/15/90/500321590.db2.gz QZKMJOXUIDOUIM-KGLIPLIRSA-N 2 1 357.292 3.216 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422967967 500324758 /nfs/dbraw/zinc/32/47/58/500324758.db2.gz PZZRZACTHCSKDD-JPYJTQIMSA-N 2 1 368.521 3.430 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000422990735 500327953 /nfs/dbraw/zinc/32/79/53/500327953.db2.gz OPGNTUYBZJULIA-COXVUDFISA-N 2 1 355.320 3.383 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001399 500329537 /nfs/dbraw/zinc/32/95/37/500329537.db2.gz WWWHDVWFTUTNMY-SYYKKAFVSA-N 2 1 357.542 3.200 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001399 500329539 /nfs/dbraw/zinc/32/95/39/500329539.db2.gz WWWHDVWFTUTNMY-SYYKKAFVSA-N 3 1 357.542 3.200 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001399 500329543 /nfs/dbraw/zinc/32/95/43/500329543.db2.gz WWWHDVWFTUTNMY-SYYKKAFVSA-N 3 1 357.542 3.200 20 0 FGADMP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)c(F)c1 ZINC000423014390 500331021 /nfs/dbraw/zinc/33/10/21/500331021.db2.gz IIDCXKHMGRRVQY-IRFCIJBXSA-N 2 1 374.431 3.498 20 0 FGADMP CCC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C1CC[NH2+]CC1 ZINC000431082002 500333611 /nfs/dbraw/zinc/33/36/11/500333611.db2.gz SBEFAXBQRXAYCE-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)C1CC[NH2+]CC1 ZINC000431082002 500333615 /nfs/dbraw/zinc/33/36/15/500333615.db2.gz SBEFAXBQRXAYCE-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)c1c[nH+]ccc1N ZINC000423046031 500334907 /nfs/dbraw/zinc/33/49/07/500334907.db2.gz DUMVXLUWHARHAR-SJCJKPOMSA-N 2 1 352.404 3.466 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)c1c[nH+]ccc1N ZINC000423046032 500335055 /nfs/dbraw/zinc/33/50/55/500335055.db2.gz DUMVXLUWHARHAR-SJKOYZFVSA-N 2 1 352.404 3.466 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423063276 500337417 /nfs/dbraw/zinc/33/74/17/500337417.db2.gz ONLOFOFCJRHQDQ-OFAXGOBFSA-N 2 1 351.538 3.445 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423065935 500337553 /nfs/dbraw/zinc/33/75/53/500337553.db2.gz VQOLBVSCBGHWOS-QRVBRYPASA-N 2 1 361.917 3.121 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000423073499 500338468 /nfs/dbraw/zinc/33/84/68/500338468.db2.gz IUCSMYCLDCEXLT-UKRRQHHQSA-N 2 1 358.935 3.144 20 0 FGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000423073500 500338749 /nfs/dbraw/zinc/33/87/49/500338749.db2.gz IUCSMYCLDCEXLT-ZFWWWQNUSA-N 2 1 358.935 3.144 20 0 FGADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423086898 500340449 /nfs/dbraw/zinc/34/04/49/500340449.db2.gz MWIVCLYFICMBHZ-NOZJJQNGSA-N 2 1 364.658 3.162 20 0 FGADMP FC(F)(F)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000423123132 500345441 /nfs/dbraw/zinc/34/54/41/500345441.db2.gz MGZFNAKGMFCPDL-FJIDUMEYSA-N 2 1 356.432 3.154 20 0 FGADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129203 500346818 /nfs/dbraw/zinc/34/68/18/500346818.db2.gz FBFRYKHWYAANLT-CTNGQTDRSA-N 3 1 359.558 3.022 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419295111 500350503 /nfs/dbraw/zinc/35/05/03/500350503.db2.gz PZYQWODLQHGZOC-IRXDYDNUSA-N 2 1 357.542 3.421 20 0 FGADMP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000423191930 500353578 /nfs/dbraw/zinc/35/35/78/500353578.db2.gz UENKMSAIAFIGBE-OLMNPRSZSA-N 2 1 350.453 3.133 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423262238 500359225 /nfs/dbraw/zinc/35/92/25/500359225.db2.gz MBNKICKAITUWSK-RDTXWAMCSA-N 2 1 353.532 3.006 20 0 FGADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(Br)cc1Br ZINC000423296475 500362381 /nfs/dbraw/zinc/36/23/81/500362381.db2.gz GZJCLBSGRLJZQE-IUCAKERBSA-N 2 1 350.098 3.457 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000423341419 500365100 /nfs/dbraw/zinc/36/51/00/500365100.db2.gz UJMBWTMJAWCLBQ-NGVUMRSOSA-N 2 1 358.526 3.326 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000423353490 500366981 /nfs/dbraw/zinc/36/69/81/500366981.db2.gz DJYNPNLSYRGWAL-MOPGFXCFSA-N 2 1 357.542 3.175 20 0 FGADMP CCOC(=O)C1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369346 500368159 /nfs/dbraw/zinc/36/81/59/500368159.db2.gz OKPPSARLUVHPLN-MUXCANPHSA-N 2 1 366.452 3.122 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000427332807 500382353 /nfs/dbraw/zinc/38/23/53/500382353.db2.gz VNFWUOKYMWXHQE-REWPJTCUSA-N 2 1 369.553 3.281 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000423525583 500382555 /nfs/dbraw/zinc/38/25/55/500382555.db2.gz KLWUUYBXMPDMDZ-QCCYXRBGSA-N 2 1 361.533 3.242 20 0 FGADMP C[C@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(OCC[NH+](C)C)cc1 ZINC000423529655 500383314 /nfs/dbraw/zinc/38/33/14/500383314.db2.gz QFLRFHFLEYEWEH-WZCXMZMXSA-N 2 1 371.569 3.431 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423753283 500399350 /nfs/dbraw/zinc/39/93/50/500399350.db2.gz XDGFYTVMEJXUOT-UNMCSNQZSA-N 2 1 357.542 3.061 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423912572 500418616 /nfs/dbraw/zinc/41/86/16/500418616.db2.gz WERLGGJKKDGBDJ-HZEGPAAWSA-N 2 1 357.542 3.311 20 0 FGADMP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000431763811 500421373 /nfs/dbraw/zinc/42/13/73/500421373.db2.gz XJURVKHHIKBGSY-OAQYLSRUSA-N 2 1 373.541 3.040 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420293760 500435284 /nfs/dbraw/zinc/43/52/84/500435284.db2.gz AJXWBSNSGAWYCJ-NFBKMPQASA-N 2 1 368.521 3.500 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296761 500436193 /nfs/dbraw/zinc/43/61/93/500436193.db2.gz DTZDRWFBVBKCFO-GCJKJVERSA-N 2 1 365.521 3.424 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000420321622 500440492 /nfs/dbraw/zinc/44/04/92/500440492.db2.gz DCQXKVJUXNMGFO-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc(-c3ccc(Cl)cc3)n2)CC12CCOCC2 ZINC000420321622 500440496 /nfs/dbraw/zinc/44/04/96/500440496.db2.gz DCQXKVJUXNMGFO-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320319 500440586 /nfs/dbraw/zinc/44/05/86/500440586.db2.gz BGDSKCZZOTVWQK-ZFWWWQNUSA-N 2 1 353.304 3.197 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320319 500440589 /nfs/dbraw/zinc/44/05/89/500440589.db2.gz BGDSKCZZOTVWQK-ZFWWWQNUSA-N 2 1 353.304 3.197 20 0 FGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420319977 500441112 /nfs/dbraw/zinc/44/11/12/500441112.db2.gz PUEKPSJIGNHHDJ-VQTJNVASSA-N 2 1 359.539 3.307 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330880 500443261 /nfs/dbraw/zinc/44/32/61/500443261.db2.gz IHEPZQMFTZXLCE-UPJWGTAASA-N 2 1 356.297 3.252 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335007 500443828 /nfs/dbraw/zinc/44/38/28/500443828.db2.gz HAMYLCNKWNJHDH-SFTDATJTSA-N 2 1 357.542 3.055 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337949 500444223 /nfs/dbraw/zinc/44/42/23/500444223.db2.gz XLOPQOAHUQJNPL-ZFWWWQNUSA-N 2 1 358.404 3.334 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3ccccc3F)o2)CC1 ZINC000420376745 500450517 /nfs/dbraw/zinc/45/05/17/500450517.db2.gz KERUDTBAIJNMFR-YLJYHZDGSA-N 2 1 359.445 3.199 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)CCC2)c1 ZINC000420381656 500451725 /nfs/dbraw/zinc/45/17/25/500451725.db2.gz RZBISAFXHCNYJE-OAQYLSRUSA-N 2 1 358.526 3.458 20 0 FGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385263 500452583 /nfs/dbraw/zinc/45/25/83/500452583.db2.gz SQIGSVBEJNEYIG-BXUZGUMPSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385263 500452580 /nfs/dbraw/zinc/45/25/80/500452580.db2.gz SQIGSVBEJNEYIG-BXUZGUMPSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420400151 500455274 /nfs/dbraw/zinc/45/52/74/500455274.db2.gz IJEATHPHJPYQKL-GHTZIAJQSA-N 2 1 365.521 3.199 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420412613 500457565 /nfs/dbraw/zinc/45/75/65/500457565.db2.gz ZKABXZGEXWUQLG-QIJUGHKUSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420412613 500457567 /nfs/dbraw/zinc/45/75/67/500457567.db2.gz ZKABXZGEXWUQLG-QIJUGHKUSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC(=O)N(CC(C)C)C(C)C)C1)CCCC2 ZINC000432097064 500468033 /nfs/dbraw/zinc/46/80/33/500468033.db2.gz HQODAGASGJSSAQ-GOSISDBHSA-N 2 1 360.546 3.210 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC(=O)N(CC(C)C)C(C)C)C1)CCCC2 ZINC000432097064 500468035 /nfs/dbraw/zinc/46/80/35/500468035.db2.gz HQODAGASGJSSAQ-GOSISDBHSA-N 2 1 360.546 3.210 20 0 FGADMP C[C@H]1CC2(C[N@H+]1[C@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287030 500481481 /nfs/dbraw/zinc/48/14/81/500481481.db2.gz IFDGZFLLFPDBCT-GUYCJALGSA-N 2 1 365.880 3.048 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297563 500483312 /nfs/dbraw/zinc/48/33/12/500483312.db2.gz SXUMLTSEGJHPIE-NVXWUHKLSA-N 2 1 361.555 3.048 20 0 FGADMP C[C@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827061 500510529 /nfs/dbraw/zinc/51/05/29/500510529.db2.gz RARHVCPLTBZCON-FNOBOGDDSA-N 2 1 372.557 3.069 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@](CC)(CO)C2)CC1 ZINC000428468170 500513870 /nfs/dbraw/zinc/51/38/70/500513870.db2.gz MRAQUJPIXHLHDF-QFIPXVFZSA-N 2 1 359.558 3.203 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421677 500514489 /nfs/dbraw/zinc/51/44/89/500514489.db2.gz AOHDMENCZKOWTH-DYESRHJHSA-N 2 1 358.526 3.480 20 0 FGADMP COCC[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907633 500527516 /nfs/dbraw/zinc/52/75/16/500527516.db2.gz VGZVSKPRMNZNCO-UHFFFAOYSA-N 2 1 354.494 3.167 20 0 FGADMP COCC[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420907633 500527519 /nfs/dbraw/zinc/52/75/19/500527519.db2.gz VGZVSKPRMNZNCO-UHFFFAOYSA-N 2 1 354.494 3.167 20 0 FGADMP OCC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420968127 500543124 /nfs/dbraw/zinc/54/31/24/500543124.db2.gz VLUDJVNSVYOROH-OAQYLSRUSA-N 2 1 374.912 3.386 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000420979262 500546656 /nfs/dbraw/zinc/54/66/56/500546656.db2.gz KCXGGWCESXMCPI-UHFFFAOYSA-N 2 1 367.484 3.280 20 0 FGADMP CC(CC[NH+]1CCC[C@H](CCO)CC1)CC[N@H+]1CCC[C@H](CCO)CC1 ZINC000421015992 500555072 /nfs/dbraw/zinc/55/50/72/500555072.db2.gz LXURDWRTLCXYAB-VXKWHMMOSA-N 2 1 368.606 3.372 20 0 FGADMP COC(=O)CC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC1 ZINC000433053225 500614407 /nfs/dbraw/zinc/61/44/07/500614407.db2.gz PODMQNXGDJWVEX-UHFFFAOYSA-N 2 1 356.510 3.318 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442758728 500621284 /nfs/dbraw/zinc/62/12/84/500621284.db2.gz JCDYQIZPOQEMNT-XYPWUTKMSA-N 2 1 355.404 3.249 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782760 500625315 /nfs/dbraw/zinc/62/53/15/500625315.db2.gz RZUFBYMJQIIFHX-WHSLLNHNSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000442782760 500625316 /nfs/dbraw/zinc/62/53/16/500625316.db2.gz RZUFBYMJQIIFHX-WHSLLNHNSA-N 2 1 371.912 3.215 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000442993965 500660376 /nfs/dbraw/zinc/66/03/76/500660376.db2.gz STUNIBLVNWZMHX-UHFFFAOYSA-N 2 1 371.447 3.046 20 0 FGADMP C[N@H+](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@@H]1CCSC1 ZINC000443209818 500696726 /nfs/dbraw/zinc/69/67/26/500696726.db2.gz GMKGYAZWTUAVQS-QGZVFWFLSA-N 2 1 358.511 3.270 20 0 FGADMP C[N@@H+](Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1)[C@@H]1CCSC1 ZINC000443209818 500696727 /nfs/dbraw/zinc/69/67/27/500696727.db2.gz GMKGYAZWTUAVQS-QGZVFWFLSA-N 2 1 358.511 3.270 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000438090712 500736723 /nfs/dbraw/zinc/73/67/23/500736723.db2.gz VNUGJKWNGHZQST-GOSISDBHSA-N 2 1 355.501 3.294 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000570693688 506214192 /nfs/dbraw/zinc/21/41/92/506214192.db2.gz RJTADPDAZZTTJF-BMQTXXJKSA-N 2 1 372.557 3.091 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000443644686 500748636 /nfs/dbraw/zinc/74/86/36/500748636.db2.gz AASLIKBWPPXGOQ-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438165210 500749059 /nfs/dbraw/zinc/74/90/59/500749059.db2.gz ZZSOHLWDHKJKGK-FQEVSTJZSA-N 2 1 364.578 3.347 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000448471345 500763065 /nfs/dbraw/zinc/76/30/65/500763065.db2.gz KLNWJDTUZRRZNJ-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329649 500770718 /nfs/dbraw/zinc/77/07/18/500770718.db2.gz RFOTXGSTVPYVLW-IHPCNDPISA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329649 500770720 /nfs/dbraw/zinc/77/07/20/500770720.db2.gz RFOTXGSTVPYVLW-IHPCNDPISA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329649 500770724 /nfs/dbraw/zinc/77/07/24/500770724.db2.gz RFOTXGSTVPYVLW-IHPCNDPISA-N 2 1 364.578 3.155 20 0 FGADMP Cc1ccncc1CCC[N@H+]1CCC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC000570727694 506215444 /nfs/dbraw/zinc/21/54/44/506215444.db2.gz FYBWMLCAEGCQHX-OAHLLOKOSA-N 2 1 357.420 3.103 20 0 FGADMP CCn1nc(C)c(CN(C)C[C@@H]2CCC[N@@H+](CC)[C@H]2c2cnn(C)c2)c1C ZINC000434018947 500782613 /nfs/dbraw/zinc/78/26/13/500782613.db2.gz UIRCTPOUMDMTDT-GHTZIAJQSA-N 2 1 372.561 3.158 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545044 500798794 /nfs/dbraw/zinc/79/87/94/500798794.db2.gz KWCROTQOTALLEF-OALUTQOASA-N 2 1 359.514 3.248 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545044 500798797 /nfs/dbraw/zinc/79/87/97/500798797.db2.gz KWCROTQOTALLEF-OALUTQOASA-N 2 1 359.514 3.248 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438890550 500832377 /nfs/dbraw/zinc/83/23/77/500832377.db2.gz ATWGXYOEGSPZKB-FQEVSTJZSA-N 2 1 370.541 3.008 20 0 FGADMP CC(C)(C)CN1CCC[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000434684519 500879549 /nfs/dbraw/zinc/87/95/49/500879549.db2.gz JGQAYRXSCDCUBR-IBGZPJMESA-N 2 1 372.557 3.436 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000444687309 500880038 /nfs/dbraw/zinc/88/00/38/500880038.db2.gz GFSFYDWDXORRRP-WOJBJXKFSA-N 2 1 374.569 3.382 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1)C(C)C ZINC000588181718 506223127 /nfs/dbraw/zinc/22/31/27/506223127.db2.gz ADVWVFUEUYULDO-OAHLLOKOSA-N 2 1 367.563 3.227 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449094385 500923604 /nfs/dbraw/zinc/92/36/04/500923604.db2.gz RNFAQOPGRAAYOO-FXAWDEMLSA-N 2 1 350.934 3.488 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449103813 500925643 /nfs/dbraw/zinc/92/56/43/500925643.db2.gz CFCGFJNFHZHKOY-CQSZACIVSA-N 2 1 358.267 3.113 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cnc(-c2ccccc2F)s1 ZINC000449149199 500935406 /nfs/dbraw/zinc/93/54/06/500935406.db2.gz MNGNPDWWGZGMNT-OAHLLOKOSA-N 2 1 363.502 3.276 20 0 FGADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847034 500945381 /nfs/dbraw/zinc/94/53/81/500945381.db2.gz SISBNTALZYJUKZ-LAUBAEHRSA-N 2 1 371.525 3.425 20 0 FGADMP C[C@@H](c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000439847034 500945384 /nfs/dbraw/zinc/94/53/84/500945384.db2.gz SISBNTALZYJUKZ-LAUBAEHRSA-N 2 1 371.525 3.425 20 0 FGADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233772 500954024 /nfs/dbraw/zinc/95/40/24/500954024.db2.gz MZIIQRDZJRQHDX-BTYIYWSLSA-N 2 1 360.448 3.425 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)C[NH+]1CCCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449255439 500958929 /nfs/dbraw/zinc/95/89/29/500958929.db2.gz DJDKWTHWFNYJPS-IRXDYDNUSA-N 2 1 352.544 3.048 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)c2)cc1 ZINC000435370268 500961417 /nfs/dbraw/zinc/96/14/17/500961417.db2.gz IFMDPYOWOMVDJH-WBVHZDCISA-N 2 1 353.466 3.117 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435380896 500964599 /nfs/dbraw/zinc/96/45/99/500964599.db2.gz UHPLKIYONWCBNE-DBVUQKKJSA-N 2 1 358.917 3.371 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000435388336 500966273 /nfs/dbraw/zinc/96/62/73/500966273.db2.gz FGWSONCAXRIDJB-SFHVURJKSA-N 2 1 358.457 3.455 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000435388336 500966276 /nfs/dbraw/zinc/96/62/76/500966276.db2.gz FGWSONCAXRIDJB-SFHVURJKSA-N 2 1 358.457 3.455 20 0 FGADMP COC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)[nH]1 ZINC000435427765 500973221 /nfs/dbraw/zinc/97/32/21/500973221.db2.gz NCWVWVBMXIWMRO-KRWDZBQOSA-N 2 1 359.495 3.007 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)[nH]1 ZINC000435427765 500973225 /nfs/dbraw/zinc/97/32/25/500973225.db2.gz NCWVWVBMXIWMRO-KRWDZBQOSA-N 2 1 359.495 3.007 20 0 FGADMP C[C@@H](Cc1ccccc1)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435432429 500974658 /nfs/dbraw/zinc/97/46/58/500974658.db2.gz IRDOBAJHBHLDNZ-ICSRJNTNSA-N 2 1 352.526 3.243 20 0 FGADMP C[C@H](Cc1ccccc1)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435432430 500975139 /nfs/dbraw/zinc/97/51/39/500975139.db2.gz IRDOBAJHBHLDNZ-QUCCMNQESA-N 2 1 352.526 3.243 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@H](C)O1 ZINC000449345413 500982796 /nfs/dbraw/zinc/98/27/96/500982796.db2.gz VMGATZLOZHPFKK-ZFMNYDKASA-N 2 1 358.526 3.071 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000440178833 500984336 /nfs/dbraw/zinc/98/43/36/500984336.db2.gz MOUMNRBNBVOMCD-FQEVSTJZSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1cc(C)c(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435695167 501013296 /nfs/dbraw/zinc/01/32/96/501013296.db2.gz QKDVILIUKVMYHQ-FQEVSTJZSA-N 2 1 352.526 3.490 20 0 FGADMP Cc1cc(C)c(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435695167 501013298 /nfs/dbraw/zinc/01/32/98/501013298.db2.gz QKDVILIUKVMYHQ-FQEVSTJZSA-N 2 1 352.526 3.490 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](OC)C(C)(C)C2)CC1 ZINC000449498060 501018695 /nfs/dbraw/zinc/01/86/95/501018695.db2.gz JQRKWWMZHMUJOD-OAQYLSRUSA-N 2 1 359.558 3.466 20 0 FGADMP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1)C1CC1 ZINC000449501461 501019797 /nfs/dbraw/zinc/01/97/97/501019797.db2.gz FNACVFZFPKGJGO-GNJRFXKQSA-N 2 1 354.538 3.284 20 0 FGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440622680 501030109 /nfs/dbraw/zinc/03/01/09/501030109.db2.gz UNMVQLOBCWCEAQ-DZGCQCFKSA-N 2 1 352.404 3.429 20 0 FGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440622680 501030110 /nfs/dbraw/zinc/03/01/10/501030110.db2.gz UNMVQLOBCWCEAQ-DZGCQCFKSA-N 2 1 352.404 3.429 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)c2nccn2CC)CC1 ZINC000449562131 501033917 /nfs/dbraw/zinc/03/39/17/501033917.db2.gz HFTQZNBUQBPAJV-SFHVURJKSA-N 2 1 355.530 3.286 20 0 FGADMP C[C@H](C(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000440670728 501037078 /nfs/dbraw/zinc/03/70/78/501037078.db2.gz NQNKIGANCCSFEX-YSTOQKLRSA-N 2 1 357.542 3.371 20 0 FGADMP C[C@H](C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440670728 501037081 /nfs/dbraw/zinc/03/70/81/501037081.db2.gz NQNKIGANCCSFEX-YSTOQKLRSA-N 2 1 357.542 3.371 20 0 FGADMP C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440670728 501037083 /nfs/dbraw/zinc/03/70/83/501037083.db2.gz NQNKIGANCCSFEX-YSTOQKLRSA-N 2 1 357.542 3.371 20 0 FGADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCc1cccc2ccccc21 ZINC000436055143 501063793 /nfs/dbraw/zinc/06/37/93/501063793.db2.gz QYFWOQRSZSCXDB-HXUWFJFHSA-N 2 1 353.510 3.092 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2cc(C[N@H+]3CCC[C@H](OC)C3)ccc2F)C1 ZINC000450344236 501096776 /nfs/dbraw/zinc/09/67/76/501096776.db2.gz AVCAAEJWRBUYGF-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2cc(C[N@@H+]3CCC[C@H](OC)C3)ccc2F)C1 ZINC000450344236 501096779 /nfs/dbraw/zinc/09/67/79/501096779.db2.gz AVCAAEJWRBUYGF-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[N@@H+](Cc2cc(C[NH+]3CCC[C@H](OC)C3)ccc2F)C1 ZINC000450344236 501096780 /nfs/dbraw/zinc/09/67/80/501096780.db2.gz AVCAAEJWRBUYGF-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[N@H+](Cc2cc(C[NH+]3CCC[C@H](OC)C3)ccc2F)C1 ZINC000450344236 501096783 /nfs/dbraw/zinc/09/67/83/501096783.db2.gz AVCAAEJWRBUYGF-RBUKOAKNSA-N 2 1 350.478 3.047 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1(C)C ZINC000441352549 501126233 /nfs/dbraw/zinc/12/62/33/501126233.db2.gz KWXMHJPBJCLVEQ-UHFFFAOYSA-N 2 1 364.965 3.056 20 0 FGADMP Cc1cccc(N2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)[nH+]1 ZINC000436470480 501132865 /nfs/dbraw/zinc/13/28/65/501132865.db2.gz MCCKKRNQPDKXHS-UHFFFAOYSA-N 3 1 351.498 3.012 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446564644 501134281 /nfs/dbraw/zinc/13/42/81/501134281.db2.gz LOOMBEIBCOLUJM-KRWDZBQOSA-N 2 1 360.546 3.423 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000446619621 501143172 /nfs/dbraw/zinc/14/31/72/501143172.db2.gz HTZJZRNWCIXOIK-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP CCc1cc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000450524211 501144688 /nfs/dbraw/zinc/14/46/88/501144688.db2.gz BHVQDGNZFNBISK-JOCHJYFZSA-N 2 1 350.510 3.041 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000446823358 501168843 /nfs/dbraw/zinc/16/88/43/501168843.db2.gz LPXRWMYEBXDPNY-FXAWDEMLSA-N 2 1 352.486 3.149 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450648170 501175630 /nfs/dbraw/zinc/17/56/30/501175630.db2.gz KBECGNRPIVHWMU-FGTMMUONSA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450648170 501175634 /nfs/dbraw/zinc/17/56/34/501175634.db2.gz KBECGNRPIVHWMU-FGTMMUONSA-N 2 1 374.516 3.402 20 0 FGADMP Cc1cccc2c1CC(C)(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000451266836 501256477 /nfs/dbraw/zinc/25/64/77/501256477.db2.gz ZYYCKCBADVKGPT-UHFFFAOYSA-N 2 1 357.542 3.121 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453088178 501266474 /nfs/dbraw/zinc/26/64/74/501266474.db2.gz ADLBBBFFALNMKO-BDTNDASRSA-N 2 1 369.553 3.422 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCCC1 ZINC000457621548 501270256 /nfs/dbraw/zinc/27/02/56/501270256.db2.gz QCQUSXXRMHUBTG-TZIWHRDSSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453148030 501279315 /nfs/dbraw/zinc/27/93/15/501279315.db2.gz QKLCQPUIWVCPOX-CWKRKGSWSA-N 2 1 371.569 3.130 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453213265 501292271 /nfs/dbraw/zinc/29/22/71/501292271.db2.gz MHXMGFDNGYZNST-BHDDXSALSA-N 2 1 368.525 3.062 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453213265 501292273 /nfs/dbraw/zinc/29/22/73/501292273.db2.gz MHXMGFDNGYZNST-BHDDXSALSA-N 2 1 368.525 3.062 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525296 501312735 /nfs/dbraw/zinc/31/27/35/501312735.db2.gz AMMWEZRLPHHFLJ-OFNKIYASSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525296 501312738 /nfs/dbraw/zinc/31/27/38/501312738.db2.gz AMMWEZRLPHHFLJ-OFNKIYASSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525296 501312740 /nfs/dbraw/zinc/31/27/40/501312740.db2.gz AMMWEZRLPHHFLJ-OFNKIYASSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525296 501312742 /nfs/dbraw/zinc/31/27/42/501312742.db2.gz AMMWEZRLPHHFLJ-OFNKIYASSA-N 2 1 369.553 3.330 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000458157332 501381170 /nfs/dbraw/zinc/38/11/70/501381170.db2.gz UTYPTSMWCXETDG-CTNGQTDRSA-N 2 1 372.557 3.163 20 0 FGADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458654956 501500009 /nfs/dbraw/zinc/50/00/09/501500009.db2.gz BWDGGRFZDPKMOH-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000454593434 501586940 /nfs/dbraw/zinc/58/69/40/501586940.db2.gz LMGMDURAWLTIFU-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593434 501586941 /nfs/dbraw/zinc/58/69/41/501586941.db2.gz LMGMDURAWLTIFU-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593434 501586942 /nfs/dbraw/zinc/58/69/42/501586942.db2.gz LMGMDURAWLTIFU-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459167017 501607041 /nfs/dbraw/zinc/60/70/41/501607041.db2.gz UCMWTMODWQDELQ-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459167017 501607043 /nfs/dbraw/zinc/60/70/43/501607043.db2.gz UCMWTMODWQDELQ-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459167017 501607047 /nfs/dbraw/zinc/60/70/47/501607047.db2.gz UCMWTMODWQDELQ-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459272132 501622901 /nfs/dbraw/zinc/62/29/01/501622901.db2.gz WXGZQBZJUSFXKX-OAQYLSRUSA-N 2 1 374.573 3.272 20 0 FGADMP CC[N@@H+](CCc1cn[nH]c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000459375179 501642021 /nfs/dbraw/zinc/64/20/21/501642021.db2.gz JXKUJRPWRRGXPP-UHFFFAOYSA-N 2 1 356.518 3.165 20 0 FGADMP CC1(C)CCC[N@H+]1CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000457057061 501642334 /nfs/dbraw/zinc/64/23/34/501642334.db2.gz OCNAHWHHMPVOSW-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092945 501648918 /nfs/dbraw/zinc/64/89/18/501648918.db2.gz XSAVZPLKSUDBOT-QGZVFWFLSA-N 2 1 371.447 3.165 20 0 FGADMP C[N@@H+]1C[C@H]2CN(Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@H]2C1 ZINC000459514065 501667582 /nfs/dbraw/zinc/66/75/82/501667582.db2.gz LLUDWVBKRYNORT-CALCHBBNSA-N 2 1 351.498 3.054 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1I ZINC000459542936 501673134 /nfs/dbraw/zinc/67/31/34/501673134.db2.gz OTQLDDNSNSTXHC-UHFFFAOYSA-N 2 1 370.278 3.316 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459571447 501679207 /nfs/dbraw/zinc/67/92/07/501679207.db2.gz OMRSQUQQSXGAKZ-NRFANRHFSA-N 2 1 355.526 3.204 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCCC3)[C@@H]2c2ccccc2)CC1 ZINC000459571447 501679209 /nfs/dbraw/zinc/67/92/09/501679209.db2.gz OMRSQUQQSXGAKZ-NRFANRHFSA-N 2 1 355.526 3.204 20 0 FGADMP CC(C)[C@@H]1[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000459794911 501714684 /nfs/dbraw/zinc/71/46/84/501714684.db2.gz UYSKDYZPDLSKAG-IBGZPJMESA-N 2 1 357.546 3.019 20 0 FGADMP CC(C)[C@@H]1[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000459794911 501714685 /nfs/dbraw/zinc/71/46/85/501714685.db2.gz UYSKDYZPDLSKAG-IBGZPJMESA-N 2 1 357.546 3.019 20 0 FGADMP CN(C)c1nc(N2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000474172498 501729643 /nfs/dbraw/zinc/72/96/43/501729643.db2.gz QPNLLDHNKNIPBS-NRFANRHFSA-N 2 1 351.498 3.035 20 0 FGADMP CN(C)c1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000474172498 501729650 /nfs/dbraw/zinc/72/96/50/501729650.db2.gz QPNLLDHNKNIPBS-NRFANRHFSA-N 2 1 351.498 3.035 20 0 FGADMP CO[C@@H]1C[NH+](Cc2cccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290335 501760420 /nfs/dbraw/zinc/76/04/20/501760420.db2.gz IECUIIULYWIBNO-MOXQZVSFSA-N 2 1 360.542 3.400 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498265 501792486 /nfs/dbraw/zinc/79/24/86/501792486.db2.gz RZTDBLXWRHUFNS-FGZHOGPDSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000481498265 501792492 /nfs/dbraw/zinc/79/24/92/501792492.db2.gz RZTDBLXWRHUFNS-FGZHOGPDSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000481498265 501792498 /nfs/dbraw/zinc/79/24/98/501792498.db2.gz RZTDBLXWRHUFNS-FGZHOGPDSA-N 2 1 371.569 3.450 20 0 FGADMP CC1CCC(NC(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000460347219 501798744 /nfs/dbraw/zinc/79/87/44/501798744.db2.gz BIEYECZMZZMVFR-JMDAGXMHSA-N 2 1 371.569 3.428 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)c2)n1 ZINC000477856319 501810373 /nfs/dbraw/zinc/81/03/73/501810373.db2.gz QBZUUCMSNFPNRN-JKIFEVAISA-N 2 1 373.522 3.415 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2)n1 ZINC000477856314 501810536 /nfs/dbraw/zinc/81/05/36/501810536.db2.gz QBZUUCMSNFPNRN-CKEIUWERSA-N 2 1 373.522 3.415 20 0 FGADMP CC(C)[C@@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485473343 501831018 /nfs/dbraw/zinc/83/10/18/501831018.db2.gz GNEFRLHYBPITAZ-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CCc1ccc(I)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000474471698 501847314 /nfs/dbraw/zinc/84/73/14/501847314.db2.gz NLVCZHWKGRCSRP-CYBMUJFWSA-N 2 1 372.294 3.296 20 0 FGADMP COc1ccccc1OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995643 501886854 /nfs/dbraw/zinc/88/68/54/501886854.db2.gz PICQUIFQIAMTFH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1ccccc1OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470995643 501886859 /nfs/dbraw/zinc/88/68/59/501886859.db2.gz PICQUIFQIAMTFH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1ccccc1OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995643 501886864 /nfs/dbraw/zinc/88/68/64/501886864.db2.gz PICQUIFQIAMTFH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1ccccc1OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470995643 501886867 /nfs/dbraw/zinc/88/68/67/501886867.db2.gz PICQUIFQIAMTFH-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@H]1C ZINC000474624476 501898412 /nfs/dbraw/zinc/89/84/12/501898412.db2.gz UUBZDORBYKIHNJ-OWQGQXMQSA-N 2 1 359.445 3.387 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000481922897 501920202 /nfs/dbraw/zinc/92/02/02/501920202.db2.gz ODUIIKRQOJDINB-INIZCTEOSA-N 2 1 371.491 3.500 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768112 501946449 /nfs/dbraw/zinc/94/64/49/501946449.db2.gz PRBHXOKGXCBTGB-YLJYHZDGSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768112 501946451 /nfs/dbraw/zinc/94/64/51/501946451.db2.gz PRBHXOKGXCBTGB-YLJYHZDGSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474768112 501946452 /nfs/dbraw/zinc/94/64/52/501946452.db2.gz PRBHXOKGXCBTGB-YLJYHZDGSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474768112 501946455 /nfs/dbraw/zinc/94/64/55/501946455.db2.gz PRBHXOKGXCBTGB-YLJYHZDGSA-N 2 1 361.505 3.171 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327704 501955748 /nfs/dbraw/zinc/95/57/48/501955748.db2.gz FJLWVSDBGJMJJI-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464327704 501955752 /nfs/dbraw/zinc/95/57/52/501955752.db2.gz FJLWVSDBGJMJJI-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464327704 501955756 /nfs/dbraw/zinc/95/57/56/501955756.db2.gz FJLWVSDBGJMJJI-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP COC(=O)CC1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000599027733 506284986 /nfs/dbraw/zinc/28/49/86/506284986.db2.gz QPMCVAFNJACUBK-NYLDSWQDSA-N 2 1 358.526 3.263 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000471235406 501963544 /nfs/dbraw/zinc/96/35/44/501963544.db2.gz OZPPEWMQGULTPZ-WIYYLYMNSA-N 2 1 373.585 3.305 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244294 501966653 /nfs/dbraw/zinc/96/66/53/501966653.db2.gz PFOXBUREHOXWQN-WMLDXEAASA-N 2 1 355.320 3.490 20 0 FGADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CCC([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000485863285 501965972 /nfs/dbraw/zinc/96/59/72/501965972.db2.gz NJVUOQLBLQCTRY-UYAOXDASSA-N 2 1 373.545 3.157 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244294 501966656 /nfs/dbraw/zinc/96/66/56/501966656.db2.gz PFOXBUREHOXWQN-WMLDXEAASA-N 2 1 355.320 3.490 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Br)cc2)[C@@H](C)C1 ZINC000471244294 501966650 /nfs/dbraw/zinc/96/66/50/501966650.db2.gz PFOXBUREHOXWQN-WMLDXEAASA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000482140141 501986761 /nfs/dbraw/zinc/98/67/61/501986761.db2.gz QUQVTOOAQSLLFW-SFTDATJTSA-N 2 1 357.542 3.062 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000482140139 501986924 /nfs/dbraw/zinc/98/69/24/501986924.db2.gz QUQVTOOAQSLLFW-NHCUHLMSSA-N 2 1 357.542 3.062 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000482162449 501993940 /nfs/dbraw/zinc/99/39/40/501993940.db2.gz HLDDZXIGYCCGLP-IKGGRYGDSA-N 2 1 351.560 3.416 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000468231832 501997810 /nfs/dbraw/zinc/99/78/10/501997810.db2.gz ZLXJQBZAWDBICF-FQEVSTJZSA-N 2 1 357.542 3.422 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(C)nn1C ZINC000461098629 502013119 /nfs/dbraw/zinc/01/31/19/502013119.db2.gz PKWRGFIDJGNHJT-HMXCVIKNSA-N 2 1 368.525 3.127 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(C)nn1C ZINC000461098629 502013121 /nfs/dbraw/zinc/01/31/21/502013121.db2.gz PKWRGFIDJGNHJT-HMXCVIKNSA-N 2 1 368.525 3.127 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000475027605 502026022 /nfs/dbraw/zinc/02/60/22/502026022.db2.gz CQHVLMJRAAEHMY-HXUWFJFHSA-N 2 1 373.928 3.233 20 0 FGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475037621 502030784 /nfs/dbraw/zinc/03/07/84/502030784.db2.gz FSROFTIZVCCJCZ-QIJUGHKUSA-N 2 1 365.521 3.284 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000478621827 502036769 /nfs/dbraw/zinc/03/67/69/502036769.db2.gz GVLVWUMRKXJQTO-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000478621827 502036775 /nfs/dbraw/zinc/03/67/75/502036775.db2.gz GVLVWUMRKXJQTO-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000468448344 502061293 /nfs/dbraw/zinc/06/12/93/502061293.db2.gz IEIQKJLGVGGCNB-GOSISDBHSA-N 2 1 368.953 3.316 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000468467390 502068288 /nfs/dbraw/zinc/06/82/88/502068288.db2.gz AKOVAMKZXZCLCH-IRXDYDNUSA-N 2 1 352.482 3.240 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615275 502088835 /nfs/dbraw/zinc/08/88/35/502088835.db2.gz QRMNGGYALXWZIX-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000471615275 502088843 /nfs/dbraw/zinc/08/88/43/502088843.db2.gz QRMNGGYALXWZIX-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000471615275 502088855 /nfs/dbraw/zinc/08/88/55/502088855.db2.gz QRMNGGYALXWZIX-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170902 502088996 /nfs/dbraw/zinc/08/89/96/502088996.db2.gz OQNDOGHGJLHGQD-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000464772185 502089441 /nfs/dbraw/zinc/08/94/41/502089441.db2.gz GIOAUGREDWMCLL-MSOLQXFVSA-N 2 1 351.922 3.179 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000468532960 502094451 /nfs/dbraw/zinc/09/44/51/502094451.db2.gz RPYRYDVBDOAUOQ-ICSRJNTNSA-N 2 1 360.546 3.195 20 0 FGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553579 502103739 /nfs/dbraw/zinc/10/37/39/502103739.db2.gz LTBYMRFCEPURQA-AVRDEDQJSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553579 502103744 /nfs/dbraw/zinc/10/37/44/502103744.db2.gz LTBYMRFCEPURQA-AVRDEDQJSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000482539758 502105848 /nfs/dbraw/zinc/10/58/48/502105848.db2.gz SOXIHJRXJSITPT-FUHWJXTLSA-N 2 1 355.482 3.185 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2ccccc2)o1 ZINC000482539758 502105855 /nfs/dbraw/zinc/10/58/55/502105855.db2.gz SOXIHJRXJSITPT-FUHWJXTLSA-N 2 1 355.482 3.185 20 0 FGADMP COC[C@@H]1CCCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468693842 502149537 /nfs/dbraw/zinc/14/95/37/502149537.db2.gz LNPYJXDSUMVNQH-LJQANCHMSA-N 2 1 359.558 3.466 20 0 FGADMP C[N@@H+](CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C1CCCCC1 ZINC000468735804 502164458 /nfs/dbraw/zinc/16/44/58/502164458.db2.gz AEBXJTDVGROGTM-UHFFFAOYSA-N 2 1 352.482 3.241 20 0 FGADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000468888025 502219076 /nfs/dbraw/zinc/21/90/76/502219076.db2.gz HUKOQVHHJIOMEM-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000468888025 502219084 /nfs/dbraw/zinc/21/90/84/502219084.db2.gz HUKOQVHHJIOMEM-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000472085741 502225600 /nfs/dbraw/zinc/22/56/00/502225600.db2.gz TZMKTYIWNXQFSI-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[N@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000461908866 502232359 /nfs/dbraw/zinc/23/23/59/502232359.db2.gz RQLXLCZOUCOSKK-LJQANCHMSA-N 2 1 353.466 3.477 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1Oc1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000461908866 502232365 /nfs/dbraw/zinc/23/23/65/502232365.db2.gz RQLXLCZOUCOSKK-LJQANCHMSA-N 2 1 353.466 3.477 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000461936884 502244508 /nfs/dbraw/zinc/24/45/08/502244508.db2.gz ONFLWYKSLUVRIX-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434094 502260191 /nfs/dbraw/zinc/26/01/91/502260191.db2.gz PHJKTMIBUCFDOV-PZJWPPBQSA-N 2 1 374.573 3.443 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)[C@H]2C)CC1 ZINC000475731241 502267444 /nfs/dbraw/zinc/26/74/44/502267444.db2.gz DAXFCJYHWYKNQF-YZGWKJHDSA-N 2 1 371.569 3.442 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000462018076 502275716 /nfs/dbraw/zinc/27/57/16/502275716.db2.gz YOBWZIDVVLTGHJ-WOJBJXKFSA-N 2 1 357.542 3.026 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C1CC1 ZINC000465491155 502277349 /nfs/dbraw/zinc/27/73/49/502277349.db2.gz OMMWYERZOBPELU-LEWJYISDSA-N 2 1 372.557 3.195 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156693 502327386 /nfs/dbraw/zinc/32/73/86/502327386.db2.gz DQJRXAAJJSYYCU-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156693 502327391 /nfs/dbraw/zinc/32/73/91/502327391.db2.gz DQJRXAAJJSYYCU-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156693 502327395 /nfs/dbraw/zinc/32/73/95/502327395.db2.gz DQJRXAAJJSYYCU-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156693 502327401 /nfs/dbraw/zinc/32/74/01/502327401.db2.gz DQJRXAAJJSYYCU-BWAGFHJFSA-N 2 1 365.521 3.316 20 0 FGADMP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000465630680 502331858 /nfs/dbraw/zinc/33/18/58/502331858.db2.gz LZKVMKSXTLZTLD-FPOVZHCZSA-N 2 1 374.573 3.238 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709733 502355757 /nfs/dbraw/zinc/35/57/57/502355757.db2.gz DZBRIPPWCAILED-SFTDATJTSA-N 2 1 372.557 3.243 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709729 502355791 /nfs/dbraw/zinc/35/57/91/502355791.db2.gz DZBRIPPWCAILED-NHCUHLMSSA-N 2 1 372.557 3.243 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465773198 502379616 /nfs/dbraw/zinc/37/96/16/502379616.db2.gz YTSKRIUWWONLNO-RBUKOAKNSA-N 2 1 360.546 3.023 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483467862 502400268 /nfs/dbraw/zinc/40/02/68/502400268.db2.gz LPDNBCSUMMXNJL-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483467862 502400274 /nfs/dbraw/zinc/40/02/74/502400274.db2.gz LPDNBCSUMMXNJL-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483467862 502400281 /nfs/dbraw/zinc/40/02/81/502400281.db2.gz LPDNBCSUMMXNJL-SFTDATJTSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000487275856 502407497 /nfs/dbraw/zinc/40/74/97/502407497.db2.gz ZPUHNMNZOFJBGS-OAQYLSRUSA-N 2 1 367.493 3.453 20 0 FGADMP CCN(C)[C@@H](C(=O)N1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000487275856 502407501 /nfs/dbraw/zinc/40/75/01/502407501.db2.gz ZPUHNMNZOFJBGS-OAQYLSRUSA-N 2 1 367.493 3.453 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000469438431 502418919 /nfs/dbraw/zinc/41/89/19/502418919.db2.gz KLLJGCKAQUXSHU-QHAWAJNXSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000469438431 502418922 /nfs/dbraw/zinc/41/89/22/502418922.db2.gz KLLJGCKAQUXSHU-QHAWAJNXSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000469438431 502418924 /nfs/dbraw/zinc/41/89/24/502418924.db2.gz KLLJGCKAQUXSHU-QHAWAJNXSA-N 2 1 372.557 3.069 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939354 502433916 /nfs/dbraw/zinc/43/39/16/502433916.db2.gz SHPGQCKBSMGORV-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465939354 502433922 /nfs/dbraw/zinc/43/39/22/502433922.db2.gz SHPGQCKBSMGORV-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465939354 502433927 /nfs/dbraw/zinc/43/39/27/502433927.db2.gz SHPGQCKBSMGORV-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000469483031 502434672 /nfs/dbraw/zinc/43/46/72/502434672.db2.gz AFYVNHXTDWDUPF-OAQYLSRUSA-N 2 1 353.510 3.100 20 0 FGADMP COc1ccc(Cl)c(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000483610621 502442834 /nfs/dbraw/zinc/44/28/34/502442834.db2.gz XBYBLSKSRAPWSD-CALCHBBNSA-N 2 1 365.949 3.339 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)[NH+]1CCCC1 ZINC000483709976 502470727 /nfs/dbraw/zinc/47/07/27/502470727.db2.gz LCYWLBJSHIRRTJ-IHPCNDPISA-N 2 1 366.594 3.401 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111314 502475568 /nfs/dbraw/zinc/47/55/68/502475568.db2.gz RYFRFSCMXZWMAE-NRFANRHFSA-N 2 1 372.557 3.122 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C2CC2)cc1 ZINC000480111315 502475630 /nfs/dbraw/zinc/47/56/30/502475630.db2.gz RYFRFSCMXZWMAE-OAQYLSRUSA-N 2 1 372.557 3.122 20 0 FGADMP C[N@H+](CCc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1)C1CC1 ZINC000462583623 502494471 /nfs/dbraw/zinc/49/44/71/502494471.db2.gz XTKACWAFCVAUMX-UHFFFAOYSA-N 2 1 368.481 3.159 20 0 FGADMP C[N@@H+](CCc1cccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)c1)C1CC1 ZINC000462583623 502494477 /nfs/dbraw/zinc/49/44/77/502494477.db2.gz XTKACWAFCVAUMX-UHFFFAOYSA-N 2 1 368.481 3.159 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002324 502495976 /nfs/dbraw/zinc/49/59/76/502495976.db2.gz ROOUUNJFOYUDMC-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473002324 502495986 /nfs/dbraw/zinc/49/59/86/502495986.db2.gz ROOUUNJFOYUDMC-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473002324 502495994 /nfs/dbraw/zinc/49/59/94/502495994.db2.gz ROOUUNJFOYUDMC-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007255 502496929 /nfs/dbraw/zinc/49/69/29/502496929.db2.gz GIUQVJKCZCRUPG-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000473007255 502496935 /nfs/dbraw/zinc/49/69/35/502496935.db2.gz GIUQVJKCZCRUPG-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000473007255 502496944 /nfs/dbraw/zinc/49/69/44/502496944.db2.gz GIUQVJKCZCRUPG-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000473009787 502498378 /nfs/dbraw/zinc/49/83/78/502498378.db2.gz IKRNELYJLNTCPJ-IBGZPJMESA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000473009787 502498383 /nfs/dbraw/zinc/49/83/83/502498383.db2.gz IKRNELYJLNTCPJ-IBGZPJMESA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473009787 502498384 /nfs/dbraw/zinc/49/83/84/502498384.db2.gz IKRNELYJLNTCPJ-IBGZPJMESA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483888047 502514459 /nfs/dbraw/zinc/51/44/59/502514459.db2.gz SWXHMWLEMBIISR-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H](C)O1 ZINC000480261364 502516042 /nfs/dbraw/zinc/51/60/42/502516042.db2.gz IYLWSXDNWFITBK-ITTUMRLJSA-N 2 1 373.585 3.374 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000476545143 502520219 /nfs/dbraw/zinc/52/02/19/502520219.db2.gz UPGJLFCOXQNCEQ-SJORKVTESA-N 2 1 364.534 3.082 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000476545143 502520223 /nfs/dbraw/zinc/52/02/23/502520223.db2.gz UPGJLFCOXQNCEQ-SJORKVTESA-N 2 1 364.534 3.082 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466303858 502533559 /nfs/dbraw/zinc/53/35/59/502533559.db2.gz ZJQODFYTORHIQX-HXUWFJFHSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763687 502536568 /nfs/dbraw/zinc/53/65/68/502536568.db2.gz LEGTXNFSFKQMCJ-MOXWOTFGSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487844284 502545317 /nfs/dbraw/zinc/54/53/17/502545317.db2.gz VDNCUOARVNTFKN-BJLQDIEVSA-N 2 1 374.573 3.173 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000473290380 502560450 /nfs/dbraw/zinc/56/04/50/502560450.db2.gz GQIGZFYWVLDYKK-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000473290380 502560456 /nfs/dbraw/zinc/56/04/56/502560456.db2.gz GQIGZFYWVLDYKK-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000473290380 502560462 /nfs/dbraw/zinc/56/04/62/502560462.db2.gz GQIGZFYWVLDYKK-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000480419351 502564015 /nfs/dbraw/zinc/56/40/15/502564015.db2.gz RSYKBMMTIZZEKS-NRSPTQNISA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000480419351 502564020 /nfs/dbraw/zinc/56/40/20/502564020.db2.gz RSYKBMMTIZZEKS-NRSPTQNISA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000480419351 502564023 /nfs/dbraw/zinc/56/40/23/502564023.db2.gz RSYKBMMTIZZEKS-NRSPTQNISA-N 2 1 374.569 3.448 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000473347544 502570126 /nfs/dbraw/zinc/57/01/26/502570126.db2.gz RQFGLUGJIROVHU-NRFANRHFSA-N 2 1 359.558 3.320 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469860170 502572266 /nfs/dbraw/zinc/57/22/66/502572266.db2.gz DPYQLVXQVFJJLZ-QFBILLFUSA-N 2 1 369.509 3.075 20 0 FGADMP c1cc2[nH+]ccc(NCCCC[NH+]3CCN(c4ncccn4)CC3)c2s1 ZINC000462815872 502585669 /nfs/dbraw/zinc/58/56/69/502585669.db2.gz JVGQDSRTLHZJOY-UHFFFAOYSA-N 2 1 368.510 3.101 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3C[N@@H+](C)C[C@H]3C)n2)cc1 ZINC000462822925 502588201 /nfs/dbraw/zinc/58/82/01/502588201.db2.gz XXMPVCPMUJVMNR-CRAIPNDOSA-N 2 1 358.486 3.122 20 0 FGADMP CC[N@@H+](Cc1cc(C(=O)OC)c(C)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000462900160 502618928 /nfs/dbraw/zinc/61/89/28/502618928.db2.gz JRCIMXSCOBFMIP-UHFFFAOYSA-N 2 1 357.498 3.204 20 0 FGADMP COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(Br)c1O ZINC000470013830 502630602 /nfs/dbraw/zinc/63/06/02/502630602.db2.gz QZRAMOYONIJBOA-CQSZACIVSA-N 2 1 369.303 3.127 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)CC(C)C ZINC000488211530 502659389 /nfs/dbraw/zinc/65/93/89/502659389.db2.gz ANKJHTLUMFPYNI-UYAOXDASSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1(C)C ZINC000463026841 502665505 /nfs/dbraw/zinc/66/55/05/502665505.db2.gz AUIXDKJEWIQIQQ-JSXRDJHFSA-N 2 1 360.542 3.051 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1(C)C ZINC000463026841 502665510 /nfs/dbraw/zinc/66/55/10/502665510.db2.gz AUIXDKJEWIQIQQ-JSXRDJHFSA-N 2 1 360.542 3.051 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000484639081 502692327 /nfs/dbraw/zinc/69/23/27/502692327.db2.gz CPPHQOULIRDXIS-BJAXAZRTSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000484639081 502692333 /nfs/dbraw/zinc/69/23/33/502692333.db2.gz CPPHQOULIRDXIS-BJAXAZRTSA-N 2 1 370.541 3.089 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000484639081 502692337 /nfs/dbraw/zinc/69/23/37/502692337.db2.gz CPPHQOULIRDXIS-BJAXAZRTSA-N 2 1 370.541 3.089 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232874 502711386 /nfs/dbraw/zinc/71/13/86/502711386.db2.gz IAJQVIMQSIPNRX-QFBILLFUSA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232874 502711392 /nfs/dbraw/zinc/71/13/92/502711392.db2.gz IAJQVIMQSIPNRX-QFBILLFUSA-N 2 1 363.933 3.133 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCO)CC[N@@H+]1Cc1ccccc1 ZINC000463193628 502716005 /nfs/dbraw/zinc/71/60/05/502716005.db2.gz RYXRPOVVTLLVNQ-WIYYLYMNSA-N 2 1 354.494 3.200 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCCO)CC[N@H+]1Cc1ccccc1 ZINC000463193628 502716006 /nfs/dbraw/zinc/71/60/06/502716006.db2.gz RYXRPOVVTLLVNQ-WIYYLYMNSA-N 2 1 354.494 3.200 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488502415 502733890 /nfs/dbraw/zinc/73/38/90/502733890.db2.gz HWSMWTDUVXMJIT-TUNNFDKTSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260272 502739140 /nfs/dbraw/zinc/73/91/40/502739140.db2.gz BTINZIMOXXJOMC-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536957 502744260 /nfs/dbraw/zinc/74/42/60/502744260.db2.gz XRWLMGDQLQMSBD-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536957 502744264 /nfs/dbraw/zinc/74/42/64/502744264.db2.gz XRWLMGDQLQMSBD-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536957 502744270 /nfs/dbraw/zinc/74/42/70/502744270.db2.gz XRWLMGDQLQMSBD-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000488536957 502744283 /nfs/dbraw/zinc/74/42/83/502744283.db2.gz XRWLMGDQLQMSBD-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000477342546 502748454 /nfs/dbraw/zinc/74/84/54/502748454.db2.gz RYGZVIVVBKVFBN-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000470361886 502749115 /nfs/dbraw/zinc/74/91/15/502749115.db2.gz LZRBGXVCMDITIA-IEBWSBKVSA-N 2 1 363.505 3.320 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000467051614 502771527 /nfs/dbraw/zinc/77/15/27/502771527.db2.gz QLDPOUUTFPYDRZ-JOCHJYFZSA-N 2 1 365.521 3.072 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481177699 502774254 /nfs/dbraw/zinc/77/42/54/502774254.db2.gz DYZNOWDGJUPBMK-DENIHFKCSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481177699 502774256 /nfs/dbraw/zinc/77/42/56/502774256.db2.gz DYZNOWDGJUPBMK-DENIHFKCSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177980 502775126 /nfs/dbraw/zinc/77/51/26/502775126.db2.gz FJKHTVZANWBRQK-FGSXEWAUSA-N 2 1 369.553 3.276 20 0 FGADMP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177980 502775132 /nfs/dbraw/zinc/77/51/32/502775132.db2.gz FJKHTVZANWBRQK-FGSXEWAUSA-N 2 1 369.553 3.276 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923971 502778304 /nfs/dbraw/zinc/77/83/04/502778304.db2.gz VPBLQMKWIQFDBH-DOTOQJQBSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923971 502778308 /nfs/dbraw/zinc/77/83/08/502778308.db2.gz VPBLQMKWIQFDBH-DOTOQJQBSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@@H]1C ZINC000484923971 502778311 /nfs/dbraw/zinc/77/83/11/502778311.db2.gz VPBLQMKWIQFDBH-DOTOQJQBSA-N 2 1 351.922 3.151 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1 ZINC000481190424 502778408 /nfs/dbraw/zinc/77/84/08/502778408.db2.gz OOVSUUZYQFCDEB-WTIAFYNJSA-N 2 1 352.522 3.338 20 0 FGADMP COc1ccc2c(c1)C(C)(C)C[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000474019716 502781241 /nfs/dbraw/zinc/78/12/41/502781241.db2.gz CJYKOHITESPTJE-OAQYLSRUSA-N 2 1 359.558 3.281 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474049478 502789574 /nfs/dbraw/zinc/78/95/74/502789574.db2.gz YXYPEWLMUIWVMJ-RJGXRXQPSA-N 2 1 371.569 3.119 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)N3CCC[N@@H+](C)CC3)cc2)C1 ZINC000500657398 502833695 /nfs/dbraw/zinc/83/36/95/502833695.db2.gz WXMRDUUOLQTTLG-RTBURBONSA-N 2 1 372.557 3.012 20 0 FGADMP COc1cccc(N2C[C@@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2=O)c1 ZINC000513054003 502840338 /nfs/dbraw/zinc/84/03/38/502840338.db2.gz ZGLQJNDSEOHKDJ-SFHVURJKSA-N 2 1 371.525 3.187 20 0 FGADMP C(CN1CCOC2(CCCCC2)C1)C[N@H+]1CCOC2(CCCCC2)C1 ZINC000489385806 502944078 /nfs/dbraw/zinc/94/40/78/502944078.db2.gz DBWAGLQKYKWNIJ-UHFFFAOYSA-N 2 1 350.547 3.447 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCC(C)(C)O3)CC1 ZINC000513525103 502959201 /nfs/dbraw/zinc/95/92/01/502959201.db2.gz NAYFSDUUEINULG-KRWDZBQOSA-N 2 1 360.542 3.315 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571726 502968788 /nfs/dbraw/zinc/96/87/88/502968788.db2.gz GPZYYZKFYJMSLF-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000489535969 502980759 /nfs/dbraw/zinc/98/07/59/502980759.db2.gz IHUJCSAPCDCFLV-ROUUACIJSA-N 2 1 360.546 3.289 20 0 FGADMP CC[C@@H](CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000501361279 502992034 /nfs/dbraw/zinc/99/20/34/502992034.db2.gz OQUFXQCZLJXABV-SFTDATJTSA-N 2 1 374.573 3.099 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000501520474 503027404 /nfs/dbraw/zinc/02/74/04/503027404.db2.gz FDIQVKXFAFQRPM-RBUKOAKNSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1C ZINC000513817062 503029283 /nfs/dbraw/zinc/02/92/83/503029283.db2.gz ZYPCJDXRNDJDTI-IBGZPJMESA-N 2 1 373.541 3.065 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501533224 503030921 /nfs/dbraw/zinc/03/09/21/503030921.db2.gz IOIRDLURYAQZKZ-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000501533224 503030924 /nfs/dbraw/zinc/03/09/24/503030924.db2.gz IOIRDLURYAQZKZ-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000514052916 503075471 /nfs/dbraw/zinc/07/54/71/503075471.db2.gz IWFIVOHKZYDBIO-WIYYLYMNSA-N 2 1 372.557 3.242 20 0 FGADMP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000510306293 503088919 /nfs/dbraw/zinc/08/89/19/503088919.db2.gz JHNXJHIXGSGQGG-RXVVDRJESA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126814 503094365 /nfs/dbraw/zinc/09/43/65/503094365.db2.gz MIZNKWGOCKNJFL-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000514126814 503094368 /nfs/dbraw/zinc/09/43/68/503094368.db2.gz MIZNKWGOCKNJFL-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000514126814 503094371 /nfs/dbraw/zinc/09/43/71/503094371.db2.gz MIZNKWGOCKNJFL-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088764 503107269 /nfs/dbraw/zinc/10/72/69/503107269.db2.gz JEJDGHZCWDKZBB-UYAOXDASSA-N 2 1 357.542 3.162 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000510527534 503135030 /nfs/dbraw/zinc/13/50/30/503135030.db2.gz XULZCXYKQBLLEZ-YYWHXJBOSA-N 2 1 353.510 3.405 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000498249940 503142071 /nfs/dbraw/zinc/14/20/71/503142071.db2.gz GOPNMQMSSVYKQN-ZWKOTPCHSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000514664823 503160884 /nfs/dbraw/zinc/16/08/84/503160884.db2.gz WJDIGFZJSSWVMM-XNRPHZJLSA-N 2 1 362.499 3.077 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510741726 503183285 /nfs/dbraw/zinc/18/32/85/503183285.db2.gz PCALGJSEZURHBV-OALUTQOASA-N 2 1 369.553 3.096 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514824271 503202022 /nfs/dbraw/zinc/20/20/22/503202022.db2.gz AFXUHLFFTWKTCE-ICSRJNTNSA-N 2 1 372.557 3.058 20 0 FGADMP [NH3+]C[C@H]([NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C1CCCC1 ZINC000514855039 503210945 /nfs/dbraw/zinc/21/09/45/503210945.db2.gz KAEANMASPPJDHA-ZWOKBUDYSA-N 2 1 369.509 3.091 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000514948889 503233397 /nfs/dbraw/zinc/23/33/97/503233397.db2.gz BSGWOHWRPBKLJS-TYPHKJRUSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514948889 503233398 /nfs/dbraw/zinc/23/33/98/503233398.db2.gz BSGWOHWRPBKLJS-TYPHKJRUSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000514948889 503233400 /nfs/dbraw/zinc/23/34/00/503233400.db2.gz BSGWOHWRPBKLJS-TYPHKJRUSA-N 2 1 369.553 3.278 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(C(C)C)cs3)CC2)CC1 ZINC000582674464 506359583 /nfs/dbraw/zinc/35/95/83/506359583.db2.gz KVTJGJQOEIJRRS-UHFFFAOYSA-N 2 1 364.559 3.401 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000502706707 503255492 /nfs/dbraw/zinc/25/54/92/503255492.db2.gz IJTZBBUPOXBXFU-DENIHFKCSA-N 2 1 359.558 3.119 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000502848126 503288196 /nfs/dbraw/zinc/28/81/96/503288196.db2.gz VDAPSIIYXXXAQB-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000507388397 503291571 /nfs/dbraw/zinc/29/15/71/503291571.db2.gz FWMMIAQXOBOFDK-AZUAARDMSA-N 2 1 360.546 3.101 20 0 FGADMP CC(C)[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000511379215 503310119 /nfs/dbraw/zinc/31/01/19/503310119.db2.gz PMFUJWHDUWZGLA-WOJBJXKFSA-N 2 1 367.965 3.420 20 0 FGADMP CC(C)[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511379215 503310125 /nfs/dbraw/zinc/31/01/25/503310125.db2.gz PMFUJWHDUWZGLA-WOJBJXKFSA-N 2 1 367.965 3.420 20 0 FGADMP C[N@H+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399733 503314264 /nfs/dbraw/zinc/31/42/64/503314264.db2.gz SWMGKOAZPIDXOX-VQTJNVASSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@@H+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399733 503314267 /nfs/dbraw/zinc/31/42/67/503314267.db2.gz SWMGKOAZPIDXOX-VQTJNVASSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000511399733 503314269 /nfs/dbraw/zinc/31/42/69/503314269.db2.gz SWMGKOAZPIDXOX-VQTJNVASSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000511399733 503314272 /nfs/dbraw/zinc/31/42/72/503314272.db2.gz SWMGKOAZPIDXOX-VQTJNVASSA-N 2 1 365.949 3.176 20 0 FGADMP C[C@@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)C1CC[NH2+]CC1 ZINC000515351255 503321752 /nfs/dbraw/zinc/32/17/52/503321752.db2.gz WHPBTJJVPFKWOB-HNNXBMFYSA-N 2 1 364.559 3.483 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503043875 503333321 /nfs/dbraw/zinc/33/33/21/503333321.db2.gz LRTSNGFYKRPLDM-ACESQOTJSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000503043875 503333323 /nfs/dbraw/zinc/33/33/23/503333323.db2.gz LRTSNGFYKRPLDM-ACESQOTJSA-N 2 1 350.506 3.263 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499186085 503351425 /nfs/dbraw/zinc/35/14/25/503351425.db2.gz AEQXIPWEXTXHPS-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511651708 503362922 /nfs/dbraw/zinc/36/29/22/503362922.db2.gz ZQNWPXAOGTWWTP-PMACEKPBSA-N 2 1 367.493 3.197 20 0 FGADMP C[N@@H+](CCCOc1ccc(C(C)(C)C)cc1)CCCN1CC[NH+](C)CC1 ZINC000492911634 503393182 /nfs/dbraw/zinc/39/31/82/503393182.db2.gz LWIZNKDQFQOAKZ-UHFFFAOYSA-N 2 1 361.574 3.322 20 0 FGADMP O=[S@](CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373570 503397117 /nfs/dbraw/zinc/39/71/17/503397117.db2.gz ILHNYFSOPLDGKN-SSOJOUAXSA-N 2 1 357.523 3.207 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247130 503415331 /nfs/dbraw/zinc/41/53/31/503415331.db2.gz KLEFNANLQGSTCG-YSZBQJHXSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@H](C)C2 ZINC000493247130 503415335 /nfs/dbraw/zinc/41/53/35/503415335.db2.gz KLEFNANLQGSTCG-YSZBQJHXSA-N 2 1 350.506 3.455 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000515932418 503422813 /nfs/dbraw/zinc/42/28/13/503422813.db2.gz MODYLSHIQAJBOT-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccco1 ZINC000493814731 503448176 /nfs/dbraw/zinc/44/81/76/503448176.db2.gz WKLWKRNHBPNDKU-RCCFBDPRSA-N 2 1 364.534 3.128 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)CCCC1)c1ccccc1 ZINC000503741729 503467508 /nfs/dbraw/zinc/46/75/08/503467508.db2.gz XURVCIDJSWBMDK-RBUKOAKNSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092708 503486684 /nfs/dbraw/zinc/48/66/84/503486684.db2.gz RHMADVXKOJFCGV-GUDVDZBRSA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092708 503486688 /nfs/dbraw/zinc/48/66/88/503486688.db2.gz RHMADVXKOJFCGV-GUDVDZBRSA-N 2 1 367.484 3.191 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000503993566 503507096 /nfs/dbraw/zinc/50/70/96/503507096.db2.gz PKFBWOKBGCKWDM-HKUYNNGSSA-N 2 1 374.529 3.156 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286009 503509638 /nfs/dbraw/zinc/50/96/38/503509638.db2.gz MYEPCZIYKOHFAH-JOCHJYFZSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286009 503509643 /nfs/dbraw/zinc/50/96/43/503509643.db2.gz MYEPCZIYKOHFAH-JOCHJYFZSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)NC1CCCC1 ZINC000512286009 503509645 /nfs/dbraw/zinc/50/96/45/503509645.db2.gz MYEPCZIYKOHFAH-JOCHJYFZSA-N 2 1 355.526 3.033 20 0 FGADMP CC(C)Cc1cccc([C@@H](C)C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000512314782 503517092 /nfs/dbraw/zinc/51/70/92/503517092.db2.gz PEIHXUZIJVSOBE-LJQANCHMSA-N 2 1 373.585 3.473 20 0 FGADMP C[C@H]([NH2+]CCn1c2ccccc2[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508722314 503551366 /nfs/dbraw/zinc/55/13/66/503551366.db2.gz XFLSUEJANDTLHU-HKUYNNGSSA-N 2 1 364.493 3.242 20 0 FGADMP CCC[C@@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000516660813 503563110 /nfs/dbraw/zinc/56/31/10/503563110.db2.gz CLCALZWKSGZJJY-YLJYHZDGSA-N 2 1 354.498 3.101 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C(C)C ZINC000504403736 503569139 /nfs/dbraw/zinc/56/91/39/503569139.db2.gz PGJRRQYRQQPSEL-UHFFFAOYSA-N 2 1 366.525 3.018 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860229 503580890 /nfs/dbraw/zinc/58/08/90/503580890.db2.gz DGXRKUQQKOHUSR-ZJOUEHCJSA-N 2 1 374.573 3.360 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000516770848 503583636 /nfs/dbraw/zinc/58/36/36/503583636.db2.gz UMMGTKIBMACIGU-UHFFFAOYSA-N 2 1 368.312 3.396 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000516770951 503583856 /nfs/dbraw/zinc/58/38/56/503583856.db2.gz UTRHQGMGQGEYRZ-RYQLBKOJSA-N 2 1 367.493 3.279 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000516770951 503583857 /nfs/dbraw/zinc/58/38/57/503583857.db2.gz UTRHQGMGQGEYRZ-RYQLBKOJSA-N 2 1 367.493 3.279 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512667855 503608242 /nfs/dbraw/zinc/60/82/42/503608242.db2.gz RJCMBVPKVKZKLG-IRFCIJBXSA-N 2 1 369.484 3.490 20 0 FGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@@H]1C ZINC000512673586 503608948 /nfs/dbraw/zinc/60/89/48/503608948.db2.gz RHLUEXBYSPLZFO-JYWFKMLOSA-N 2 1 357.542 3.298 20 0 FGADMP CCC(C)(C)c1ccc(C[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC000509023672 503622755 /nfs/dbraw/zinc/62/27/55/503622755.db2.gz XKQASHVFRQMMIC-UHFFFAOYSA-N 2 1 360.542 3.033 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@@H]21 ZINC000516971510 503634244 /nfs/dbraw/zinc/63/42/44/503634244.db2.gz ZQPMDZSUNPKOFS-IIMDRIAPSA-N 2 1 369.534 3.013 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3cccs3)c3ccccc3)C[C@@H]21 ZINC000516971510 503634248 /nfs/dbraw/zinc/63/42/48/503634248.db2.gz ZQPMDZSUNPKOFS-IIMDRIAPSA-N 2 1 369.534 3.013 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000516977333 503636208 /nfs/dbraw/zinc/63/62/08/503636208.db2.gz SUTPVYHROFELAN-JOCHJYFZSA-N 2 1 351.494 3.143 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2I)C1 ZINC000516981019 503637493 /nfs/dbraw/zinc/63/74/93/503637493.db2.gz HDYLRXVKUCVNPT-VXGBXAGGSA-N 2 1 364.658 3.304 20 0 FGADMP Cc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078939 503661439 /nfs/dbraw/zinc/66/14/39/503661439.db2.gz LNCFSKOLRLFWFX-PZJWPPBQSA-N 2 1 357.542 3.403 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495108952 503670702 /nfs/dbraw/zinc/67/07/02/503670702.db2.gz NNQJFHQEYZOHNB-IRLDBZIGSA-N 2 1 352.526 3.383 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000495108952 503670705 /nfs/dbraw/zinc/67/07/05/503670705.db2.gz NNQJFHQEYZOHNB-IRLDBZIGSA-N 2 1 352.526 3.383 20 0 FGADMP COc1cc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)ccc1OCC(F)(F)F ZINC000495147147 503681141 /nfs/dbraw/zinc/68/11/41/503681141.db2.gz IEKOPEMAQBRVJR-CABCVRRESA-N 2 1 358.404 3.162 20 0 FGADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000536707073 503689277 /nfs/dbraw/zinc/68/92/77/503689277.db2.gz BJRFNPVZSJCEPH-OAQYLSRUSA-N 2 1 359.558 3.466 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000540158773 503692505 /nfs/dbraw/zinc/69/25/05/503692505.db2.gz YESUSBVIYBIQKW-DAYGRLMNSA-N 2 1 358.448 3.176 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255812 503694409 /nfs/dbraw/zinc/69/44/09/503694409.db2.gz XQRITVHZCBNRHW-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccccc2F)CC1 ZINC000533073064 503721902 /nfs/dbraw/zinc/72/19/02/503721902.db2.gz UQIBNPLGNDZNQF-UHFFFAOYSA-N 2 1 357.473 3.088 20 0 FGADMP Cc1cccc(C)c1C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000540244052 503721952 /nfs/dbraw/zinc/72/19/52/503721952.db2.gz GTJBDMQXDKIVFQ-WOJBJXKFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857421 503741888 /nfs/dbraw/zinc/74/18/88/503741888.db2.gz HWJRHARFHWNKFP-UGKGYDQZSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857421 503741894 /nfs/dbraw/zinc/74/18/94/503741894.db2.gz HWJRHARFHWNKFP-UGKGYDQZSA-N 2 1 365.521 3.225 20 0 FGADMP c1coc(-c2noc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)n2)c1 ZINC000517441840 503746218 /nfs/dbraw/zinc/74/62/18/503746218.db2.gz HNIYVKUHDMGOMW-ZWKOTPCHSA-N 2 1 364.449 3.284 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589956 503779481 /nfs/dbraw/zinc/77/94/81/503779481.db2.gz XESIMMARDGEAOW-WBVHZDCISA-N 2 1 366.575 3.161 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271665 503786268 /nfs/dbraw/zinc/78/62/68/503786268.db2.gz LFXWCWXSXCQLQY-KRWDZBQOSA-N 2 1 361.530 3.383 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271665 503786271 /nfs/dbraw/zinc/78/62/71/503786271.db2.gz LFXWCWXSXCQLQY-KRWDZBQOSA-N 2 1 361.530 3.383 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000517651963 503797247 /nfs/dbraw/zinc/79/72/47/503797247.db2.gz WCPIEAUKUUNTCK-KGLIPLIRSA-N 2 1 370.419 3.141 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000517705672 503813656 /nfs/dbraw/zinc/81/36/56/503813656.db2.gz SNQCYQWIOZTPNA-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000517705672 503813662 /nfs/dbraw/zinc/81/36/62/503813662.db2.gz SNQCYQWIOZTPNA-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000517705672 503813666 /nfs/dbraw/zinc/81/36/66/503813666.db2.gz SNQCYQWIOZTPNA-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000517705672 503813669 /nfs/dbraw/zinc/81/36/69/503813669.db2.gz SNQCYQWIOZTPNA-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000543674751 503848087 /nfs/dbraw/zinc/84/80/87/503848087.db2.gz KUJWKCBKWUXSLG-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000543712344 503863188 /nfs/dbraw/zinc/86/31/88/503863188.db2.gz NGWQUUTXTXWDTJ-UHFFFAOYSA-N 2 1 354.498 3.065 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510639 503869868 /nfs/dbraw/zinc/86/98/68/503869868.db2.gz NKCZTQPJWUQSCN-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222038 503882504 /nfs/dbraw/zinc/88/25/04/503882504.db2.gz QRNSRQQLPVVEML-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000527669870 503886918 /nfs/dbraw/zinc/88/69/18/503886918.db2.gz ZRLIEYBRHCYYDT-PWSUYJOCSA-N 2 1 369.332 3.473 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000533620867 503903758 /nfs/dbraw/zinc/90/37/58/503903758.db2.gz NBHVBSGZJXPCFJ-UHFFFAOYSA-N 2 1 360.546 3.071 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000518167937 503918990 /nfs/dbraw/zinc/91/89/90/503918990.db2.gz RIFWSSNVPVVFJH-YOEHRIQHSA-N 2 1 367.896 3.107 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC000546974810 503943824 /nfs/dbraw/zinc/94/38/24/503943824.db2.gz GRPUQBJSVCQERN-HXUWFJFHSA-N 2 1 355.526 3.128 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000546974810 503943830 /nfs/dbraw/zinc/94/38/30/503943830.db2.gz GRPUQBJSVCQERN-HXUWFJFHSA-N 2 1 355.526 3.128 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000546974810 503943836 /nfs/dbraw/zinc/94/38/36/503943836.db2.gz GRPUQBJSVCQERN-HXUWFJFHSA-N 2 1 355.526 3.128 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000518360772 503962433 /nfs/dbraw/zinc/96/24/33/503962433.db2.gz FWKIAMCHOTUKFC-WIYYLYMNSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1ccc([C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[NH+]2CCCC2)cc1 ZINC000537583041 503963136 /nfs/dbraw/zinc/96/31/36/503963136.db2.gz AUFDJZKGCHVBOD-NRFANRHFSA-N 2 1 366.509 3.024 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366660 503964362 /nfs/dbraw/zinc/96/43/62/503964362.db2.gz FOHIWEXRLSJLFS-CBQOVEMMSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000533913242 503987839 /nfs/dbraw/zinc/98/78/39/503987839.db2.gz OEDDBIOVDNVPBP-WOJBJXKFSA-N 2 1 360.546 3.240 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000537680146 504002763 /nfs/dbraw/zinc/00/27/63/504002763.db2.gz HCIWZVXDANAVFW-FQEVSTJZSA-N 2 1 358.526 3.410 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000541120881 504016281 /nfs/dbraw/zinc/01/62/81/504016281.db2.gz RQBQIBNSFHETNM-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP COCCOc1ccc([C@H](C)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528015427 504040600 /nfs/dbraw/zinc/04/06/00/504040600.db2.gz XKJOPUAIBMJHRA-QFBILLFUSA-N 2 1 362.514 3.388 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662917 504043734 /nfs/dbraw/zinc/04/37/34/504043734.db2.gz RAYZYMXYJMXKDJ-DZFGPLHGSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662917 504043738 /nfs/dbraw/zinc/04/37/38/504043738.db2.gz RAYZYMXYJMXKDJ-DZFGPLHGSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662917 504043742 /nfs/dbraw/zinc/04/37/42/504043742.db2.gz RAYZYMXYJMXKDJ-DZFGPLHGSA-N 2 1 356.510 3.384 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000541221547 504049163 /nfs/dbraw/zinc/04/91/63/504049163.db2.gz SCVQROMQTNWDSZ-GOSISDBHSA-N 2 1 367.331 3.263 20 0 FGADMP COc1ccccc1/C=C\C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518748307 504054388 /nfs/dbraw/zinc/05/43/88/504054388.db2.gz KPUWWKYHDZUSTK-NVAPOSRTSA-N 2 1 371.550 3.348 20 0 FGADMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000518804805 504069321 /nfs/dbraw/zinc/06/93/21/504069321.db2.gz STPKLTVGNHNJOK-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000537950751 504093452 /nfs/dbraw/zinc/09/34/52/504093452.db2.gz KRHHREUEHRYOGK-OAHLLOKOSA-N 2 1 361.511 3.046 20 0 FGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+](CC)CC ZINC000530820751 504096093 /nfs/dbraw/zinc/09/60/93/504096093.db2.gz RJOUEXAFPUVXSA-NUJGCVRESA-N 2 1 351.560 3.368 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)C ZINC000547430123 504102387 /nfs/dbraw/zinc/10/23/87/504102387.db2.gz GTHGJDSSQPNUBP-LJQANCHMSA-N 2 1 361.530 3.069 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000547430123 504102392 /nfs/dbraw/zinc/10/23/92/504102392.db2.gz GTHGJDSSQPNUBP-LJQANCHMSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000518974170 504107702 /nfs/dbraw/zinc/10/77/02/504107702.db2.gz UQHWZDNPNMLOCL-KDURUIRLSA-N 2 1 352.567 3.205 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1F ZINC000534329268 504112480 /nfs/dbraw/zinc/11/24/80/504112480.db2.gz VTUUKIPUPBXQMM-LAUBAEHRSA-N 2 1 371.500 3.474 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541423882 504125559 /nfs/dbraw/zinc/12/55/59/504125559.db2.gz RZLZYJAMJKUMNC-GOSISDBHSA-N 2 1 360.546 3.341 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541423882 504125562 /nfs/dbraw/zinc/12/55/62/504125562.db2.gz RZLZYJAMJKUMNC-GOSISDBHSA-N 2 1 360.546 3.341 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@H+](C)C2CCCC2)[NH+]2CCCC2)cc1 ZINC000519209683 504164648 /nfs/dbraw/zinc/16/46/48/504164648.db2.gz YDUOQHARCRKYSV-NRFANRHFSA-N 2 1 372.557 3.306 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cscc2s1 ZINC000528335692 504175453 /nfs/dbraw/zinc/17/54/53/504175453.db2.gz OICQRFJUTRPCNA-HNNXBMFYSA-N 2 1 365.568 3.451 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)c1 ZINC000544580036 504180411 /nfs/dbraw/zinc/18/04/11/504180411.db2.gz GQYKYRYLIQXEBN-QFIPXVFZSA-N 2 1 362.477 3.296 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103504 504191381 /nfs/dbraw/zinc/19/13/81/504191381.db2.gz HZHZTWVTCDDWMD-VXKWHMMOSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103504 504191382 /nfs/dbraw/zinc/19/13/82/504191382.db2.gz HZHZTWVTCDDWMD-VXKWHMMOSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103504 504191383 /nfs/dbraw/zinc/19/13/83/504191383.db2.gz HZHZTWVTCDDWMD-VXKWHMMOSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCOC[C@@H]4CCCO4)C3)C2)cc1 ZINC000531103504 504191384 /nfs/dbraw/zinc/19/13/84/504191384.db2.gz HZHZTWVTCDDWMD-VXKWHMMOSA-N 2 1 358.526 3.170 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCc3sccc3C2)CC1 ZINC000531107754 504192674 /nfs/dbraw/zinc/19/26/74/504192674.db2.gz SXAADNOWFRPGHQ-INIZCTEOSA-N 2 1 363.571 3.074 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4ccco4)n3)CC2)CC1 ZINC000541664033 504215011 /nfs/dbraw/zinc/21/50/11/504215011.db2.gz MQVZVJKXSCHNCD-UHFFFAOYSA-N 2 1 374.554 3.253 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707404 504227767 /nfs/dbraw/zinc/22/77/67/504227767.db2.gz PLOAXYXUAWKZSG-VWPQPMDRSA-N 2 1 360.542 3.461 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@@]12CCCO2 ZINC000544707404 504227771 /nfs/dbraw/zinc/22/77/71/504227771.db2.gz PLOAXYXUAWKZSG-VWPQPMDRSA-N 2 1 360.542 3.461 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1N1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827579 504238482 /nfs/dbraw/zinc/23/84/82/504238482.db2.gz OTVSKPOCKSSOJG-KZKAQZJJSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000544734858 504238961 /nfs/dbraw/zinc/23/89/61/504238961.db2.gz HNBUXDPWYLZZND-QGZVFWFLSA-N 2 1 366.509 3.310 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534811702 504248325 /nfs/dbraw/zinc/24/83/25/504248325.db2.gz YUELZSUJPOQLIX-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534811702 504248329 /nfs/dbraw/zinc/24/83/29/504248329.db2.gz YUELZSUJPOQLIX-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000541769736 504248780 /nfs/dbraw/zinc/24/87/80/504248780.db2.gz MUENPRMLPHNDFB-NRFANRHFSA-N 2 1 374.573 3.270 20 0 FGADMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)Cc2ccccc2C1 ZINC000541882365 504289125 /nfs/dbraw/zinc/28/91/25/504289125.db2.gz FJDIKBQFZBVDGR-YTFSRNRJSA-N 2 1 362.517 3.017 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528652065 504313629 /nfs/dbraw/zinc/31/36/29/504313629.db2.gz RYZFEAMOIKQBSE-PSWRPDDJSA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528652065 504313637 /nfs/dbraw/zinc/31/36/37/504313637.db2.gz RYZFEAMOIKQBSE-PSWRPDDJSA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528652065 504313643 /nfs/dbraw/zinc/31/36/43/504313643.db2.gz RYZFEAMOIKQBSE-PSWRPDDJSA-N 2 1 371.569 3.476 20 0 FGADMP C[C@@H](C(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000519751865 504327736 /nfs/dbraw/zinc/32/77/36/504327736.db2.gz XMFSRLSNVFXGEE-OTWHNJEPSA-N 2 1 357.542 3.371 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698687 504337501 /nfs/dbraw/zinc/33/75/01/504337501.db2.gz BHWQWVPUWFZIAD-MJGOQNOKSA-N 2 1 363.933 3.105 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698687 504337502 /nfs/dbraw/zinc/33/75/02/504337502.db2.gz BHWQWVPUWFZIAD-MJGOQNOKSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698687 504337505 /nfs/dbraw/zinc/33/75/05/504337505.db2.gz BHWQWVPUWFZIAD-MJGOQNOKSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698687 504337507 /nfs/dbraw/zinc/33/75/07/504337507.db2.gz BHWQWVPUWFZIAD-MJGOQNOKSA-N 2 1 363.933 3.105 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722608 504345059 /nfs/dbraw/zinc/34/50/59/504345059.db2.gz AASRNKIPBXHRSA-OAHLLOKOSA-N 2 1 374.481 3.392 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722608 504345063 /nfs/dbraw/zinc/34/50/63/504345063.db2.gz AASRNKIPBXHRSA-OAHLLOKOSA-N 2 1 374.481 3.392 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722608 504345069 /nfs/dbraw/zinc/34/50/69/504345069.db2.gz AASRNKIPBXHRSA-OAHLLOKOSA-N 2 1 374.481 3.392 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000538722608 504345075 /nfs/dbraw/zinc/34/50/75/504345075.db2.gz AASRNKIPBXHRSA-OAHLLOKOSA-N 2 1 374.481 3.392 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796305 504373993 /nfs/dbraw/zinc/37/39/93/504373993.db2.gz ZGGOHLVLIJTINI-OIISXLGYSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796305 504373997 /nfs/dbraw/zinc/37/39/97/504373997.db2.gz ZGGOHLVLIJTINI-OIISXLGYSA-N 2 1 358.404 3.269 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000538796613 504374019 /nfs/dbraw/zinc/37/40/19/504374019.db2.gz MSBOVRMYLIWPMF-DOTOQJQBSA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000538796613 504374022 /nfs/dbraw/zinc/37/40/22/504374022.db2.gz MSBOVRMYLIWPMF-DOTOQJQBSA-N 2 1 372.465 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000538796613 504374025 /nfs/dbraw/zinc/37/40/25/504374025.db2.gz MSBOVRMYLIWPMF-DOTOQJQBSA-N 2 1 372.465 3.144 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000528808529 504393466 /nfs/dbraw/zinc/39/34/66/504393466.db2.gz OUVQEFMJNDLYSK-DKSSEZFCSA-N 2 1 361.917 3.046 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2C(F)(F)F)CC1 ZINC000548331579 504402066 /nfs/dbraw/zinc/40/20/66/504402066.db2.gz UVWGLZHVXMYJKI-UHFFFAOYSA-N 2 1 364.371 3.105 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725007 504405265 /nfs/dbraw/zinc/40/52/65/504405265.db2.gz SOWNBKZHRXKNEW-IOASZLSFSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725007 504405269 /nfs/dbraw/zinc/40/52/69/504405269.db2.gz SOWNBKZHRXKNEW-IOASZLSFSA-N 2 1 357.420 3.495 20 0 FGADMP COc1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cn1 ZINC000528855287 504418514 /nfs/dbraw/zinc/41/85/14/504418514.db2.gz ZAZXRNTZIZJKQZ-QFIPXVFZSA-N 2 1 367.493 3.163 20 0 FGADMP COc1ccc(C)cc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520192128 504431077 /nfs/dbraw/zinc/43/10/77/504431077.db2.gz ZQSRDYPLLJTISD-GOSISDBHSA-N 2 1 359.539 3.143 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281957 504438702 /nfs/dbraw/zinc/43/87/02/504438702.db2.gz KAUARELIIFYNJE-JKSUJKDBSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281957 504438706 /nfs/dbraw/zinc/43/87/06/504438706.db2.gz KAUARELIIFYNJE-JKSUJKDBSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281957 504438709 /nfs/dbraw/zinc/43/87/09/504438709.db2.gz KAUARELIIFYNJE-JKSUJKDBSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000542281957 504438713 /nfs/dbraw/zinc/43/87/13/504438713.db2.gz KAUARELIIFYNJE-JKSUJKDBSA-N 2 1 374.447 3.251 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069947 504463252 /nfs/dbraw/zinc/46/32/52/504463252.db2.gz AXBIKQKOVWSFOG-XMSQKQJNSA-N 2 1 354.494 3.058 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccc(NC(=O)CC)c2)[C@H](C)C1 ZINC000531936866 504480346 /nfs/dbraw/zinc/48/03/46/504480346.db2.gz ITBCEWSRIWZVON-YLJYHZDGSA-N 2 1 361.530 3.262 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@H](C)C1 ZINC000531936866 504480352 /nfs/dbraw/zinc/48/03/52/504480352.db2.gz ITBCEWSRIWZVON-YLJYHZDGSA-N 2 1 361.530 3.262 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000531944790 504482791 /nfs/dbraw/zinc/48/27/91/504482791.db2.gz KXSWSFXOKMOLTB-MRXNPFEDSA-N 2 1 353.938 3.397 20 0 FGADMP C[C@@H](CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435839 504489596 /nfs/dbraw/zinc/48/95/96/504489596.db2.gz PGVXHTKMUPTWQO-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@H](c2ccc(F)cc2)c2cccnc2)C[C@@H](C)O1 ZINC000542479307 504506422 /nfs/dbraw/zinc/50/64/22/504506422.db2.gz UBYANKSUJGKNPZ-CBGDNZLLSA-N 2 1 357.473 3.399 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000542488504 504510704 /nfs/dbraw/zinc/51/07/04/504510704.db2.gz SMPVYYNBAMGZNG-QHCPKHFHSA-N 2 1 352.522 3.277 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749657 504529430 /nfs/dbraw/zinc/52/94/30/504529430.db2.gz DGNYETDWKVSMPM-QKNQBKEWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749657 504529436 /nfs/dbraw/zinc/52/94/36/504529436.db2.gz DGNYETDWKVSMPM-QKNQBKEWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749657 504529439 /nfs/dbraw/zinc/52/94/39/504529439.db2.gz DGNYETDWKVSMPM-QKNQBKEWSA-N 2 1 372.557 3.021 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663368 504551460 /nfs/dbraw/zinc/55/14/60/504551460.db2.gz JRPBUSHSKXWASR-SQNIBIBYSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663368 504551466 /nfs/dbraw/zinc/55/14/66/504551466.db2.gz JRPBUSHSKXWASR-SQNIBIBYSA-N 2 1 356.432 3.386 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000520756748 504575193 /nfs/dbraw/zinc/57/51/93/504575193.db2.gz VZSHJEQIUHWRMN-HUUJSLGLSA-N 2 1 372.557 3.384 20 0 FGADMP CC(C)C[C@@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000539485313 504585669 /nfs/dbraw/zinc/58/56/69/504585669.db2.gz FRZFGUREXTYFOL-NQIIRXRSSA-N 2 1 372.557 3.313 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747282 504594251 /nfs/dbraw/zinc/59/42/51/504594251.db2.gz ZIPSYKIMASEBOM-QZTJIDSGSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000520878467 504602786 /nfs/dbraw/zinc/60/27/86/504602786.db2.gz BGZRWGGHOLAWBJ-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000545869666 504621198 /nfs/dbraw/zinc/62/11/98/504621198.db2.gz QSHQCUYZPUQPIE-UHFFFAOYSA-N 2 1 374.529 3.181 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000536100491 504633927 /nfs/dbraw/zinc/63/39/27/504633927.db2.gz VLZWVIKUPROHPL-KOUHRCEDSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000536100491 504633932 /nfs/dbraw/zinc/63/39/32/504633932.db2.gz VLZWVIKUPROHPL-KOUHRCEDSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000536100491 504633936 /nfs/dbraw/zinc/63/39/36/504633936.db2.gz VLZWVIKUPROHPL-KOUHRCEDSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000532441736 504652273 /nfs/dbraw/zinc/65/22/73/504652273.db2.gz GVFBGTSLAJJTFN-RDJZCZTQSA-N 2 1 373.522 3.116 20 0 FGADMP COc1ccc2oc([C@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000532449861 504654716 /nfs/dbraw/zinc/65/47/16/504654716.db2.gz SBWWRYXSVKKNPC-KRWDZBQOSA-N 2 1 359.514 3.428 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000521163385 504666279 /nfs/dbraw/zinc/66/62/79/504666279.db2.gz NAMBMASRJMIMNG-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000532536675 504686068 /nfs/dbraw/zinc/68/60/68/504686068.db2.gz HPYKAFPCACLRKH-INIZCTEOSA-N 2 1 361.530 3.458 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)CC3(c4ccccc4)CC3)CC2)CC1 ZINC000529500914 504700896 /nfs/dbraw/zinc/70/08/96/504700896.db2.gz WDDLQYGLTLLULL-UHFFFAOYSA-N 2 1 369.553 3.127 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)CC3(c4ccccc4)CC3)CC2)CC1 ZINC000529500914 504700901 /nfs/dbraw/zinc/70/09/01/504700901.db2.gz WDDLQYGLTLLULL-UHFFFAOYSA-N 2 1 369.553 3.127 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000521319757 504708798 /nfs/dbraw/zinc/70/87/98/504708798.db2.gz LKBSCEXGRSVQCY-UNMCSNQZSA-N 2 1 354.494 3.025 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C3CC(F)(F)C3)cc2)CC1 ZINC000529533524 504718576 /nfs/dbraw/zinc/71/85/76/504718576.db2.gz QYQLCBIWVIFFNN-INIZCTEOSA-N 2 1 351.485 3.348 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)C2)CC1 ZINC000539863158 504720956 /nfs/dbraw/zinc/72/09/56/504720956.db2.gz IWUCBFSEIOKFKU-NRFANRHFSA-N 2 1 357.542 3.076 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000532660850 504728574 /nfs/dbraw/zinc/72/85/74/504728574.db2.gz LWVYXVSJFJSPBJ-SFHVURJKSA-N 2 1 374.529 3.015 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000539968339 504750075 /nfs/dbraw/zinc/75/00/75/504750075.db2.gz UEEFWXBRXIEOGD-UWJYYQICSA-N 2 1 356.489 3.250 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000521586184 504760583 /nfs/dbraw/zinc/76/05/83/504760583.db2.gz NDQWTMYPZTYOBU-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2CCCCC2)CC1 ZINC000521586184 504760585 /nfs/dbraw/zinc/76/05/85/504760585.db2.gz NDQWTMYPZTYOBU-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2CCCCC2)CC1 ZINC000521586184 504760588 /nfs/dbraw/zinc/76/05/88/504760588.db2.gz NDQWTMYPZTYOBU-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000532842162 504765755 /nfs/dbraw/zinc/76/57/55/504765755.db2.gz GVPIWNPXUOIPHQ-IHWFROFDSA-N 2 1 372.557 3.212 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000532842162 504765758 /nfs/dbraw/zinc/76/57/58/504765758.db2.gz GVPIWNPXUOIPHQ-IHWFROFDSA-N 2 1 372.557 3.212 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000532842162 504765760 /nfs/dbraw/zinc/76/57/60/504765760.db2.gz GVPIWNPXUOIPHQ-IHWFROFDSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000565026623 504774172 /nfs/dbraw/zinc/77/41/72/504774172.db2.gz VSIVAAWPPNWTNL-RDTXWAMCSA-N 2 1 351.922 3.131 20 0 FGADMP O=C1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CN1C1CC1 ZINC000565095184 504792655 /nfs/dbraw/zinc/79/26/55/504792655.db2.gz QYVIBUFUCUIVFK-ZDFPQIBNSA-N 2 1 367.537 3.030 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000556118993 504800551 /nfs/dbraw/zinc/80/05/51/504800551.db2.gz XAMIUZJTZVQBDU-ZVDOUQERSA-N 2 1 352.478 3.424 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000556118993 504800556 /nfs/dbraw/zinc/80/05/56/504800556.db2.gz XAMIUZJTZVQBDU-ZVDOUQERSA-N 2 1 352.478 3.424 20 0 FGADMP CCOc1ccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1OCC ZINC000565228215 504830477 /nfs/dbraw/zinc/83/04/77/504830477.db2.gz DOSIMQKGYZASJD-LJQANCHMSA-N 2 1 362.514 3.171 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000565366312 504866929 /nfs/dbraw/zinc/86/69/29/504866929.db2.gz ARXIQYQRZYBOOC-PBASOCQRSA-N 2 1 361.574 3.410 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549771317 504893829 /nfs/dbraw/zinc/89/38/29/504893829.db2.gz JQFWOLGVXFYBDO-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP COc1cccc([C@H]2[C@H](c3ccccc3)CC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481330 504900533 /nfs/dbraw/zinc/90/05/33/504900533.db2.gz UKRWKQQSIWLPHR-GOTSBHOMSA-N 2 1 365.521 3.131 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000559636043 504901350 /nfs/dbraw/zinc/90/13/50/504901350.db2.gz FPBBRKWVYGZKLN-TZIWHRDSSA-N 2 1 366.509 3.257 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)C2CCCC2)C1 ZINC000559636043 504901354 /nfs/dbraw/zinc/90/13/54/504901354.db2.gz FPBBRKWVYGZKLN-TZIWHRDSSA-N 2 1 366.509 3.257 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405635 504906831 /nfs/dbraw/zinc/90/68/31/504906831.db2.gz VMBCBFBSUJTRIP-UHFFFAOYSA-N 2 1 357.542 3.411 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000565509504 504907369 /nfs/dbraw/zinc/90/73/69/504907369.db2.gz YRNQPGWSAHZEBK-FQEVSTJZSA-N 3 1 358.574 3.039 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565509504 504907374 /nfs/dbraw/zinc/90/73/74/504907374.db2.gz YRNQPGWSAHZEBK-FQEVSTJZSA-N 2 1 358.574 3.039 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000565509504 504907379 /nfs/dbraw/zinc/90/73/79/504907379.db2.gz YRNQPGWSAHZEBK-FQEVSTJZSA-N 2 1 358.574 3.039 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841648 504913917 /nfs/dbraw/zinc/91/39/17/504913917.db2.gz XQWZHKDKCZVBPW-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841648 504913921 /nfs/dbraw/zinc/91/39/21/504913921.db2.gz XQWZHKDKCZVBPW-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841648 504913925 /nfs/dbraw/zinc/91/39/25/504913925.db2.gz XQWZHKDKCZVBPW-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536209 504916019 /nfs/dbraw/zinc/91/60/19/504916019.db2.gz YCQXNADRLBJLEZ-RXVVDRJESA-N 2 1 356.510 3.290 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000562745738 504931056 /nfs/dbraw/zinc/93/10/56/504931056.db2.gz MHACOSKOKRYZAM-KRWDZBQOSA-N 2 1 355.486 3.257 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000562838600 504960986 /nfs/dbraw/zinc/96/09/86/504960986.db2.gz JNWYBBASZZKGDN-MOPGFXCFSA-N 2 1 359.445 3.199 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000550128113 504972830 /nfs/dbraw/zinc/97/28/30/504972830.db2.gz YJWSTJTYIUAJGZ-FCHUYYIVSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128113 504972833 /nfs/dbraw/zinc/97/28/33/504972833.db2.gz YJWSTJTYIUAJGZ-FCHUYYIVSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128113 504972835 /nfs/dbraw/zinc/97/28/35/504972835.db2.gz YJWSTJTYIUAJGZ-FCHUYYIVSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@@H](C(=O)N(CC(C)C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000550164791 504982934 /nfs/dbraw/zinc/98/29/34/504982934.db2.gz WTIBDEDDPOQFID-NRFANRHFSA-N 2 1 359.558 3.476 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238378 504999733 /nfs/dbraw/zinc/99/97/33/504999733.db2.gz CYFLTURBGBUFRW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238378 504999735 /nfs/dbraw/zinc/99/97/35/504999735.db2.gz CYFLTURBGBUFRW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238378 504999736 /nfs/dbraw/zinc/99/97/36/504999736.db2.gz CYFLTURBGBUFRW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3c(Cl)cccc3Cl)C2)C1 ZINC000550238378 504999738 /nfs/dbraw/zinc/99/97/38/504999738.db2.gz CYFLTURBGBUFRW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000553768224 505004175 /nfs/dbraw/zinc/00/41/75/505004175.db2.gz PWQBPEGZYITJLP-FMWKFLBASA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768224 505004177 /nfs/dbraw/zinc/00/41/77/505004177.db2.gz PWQBPEGZYITJLP-FMWKFLBASA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768224 505004181 /nfs/dbraw/zinc/00/41/81/505004181.db2.gz PWQBPEGZYITJLP-FMWKFLBASA-N 2 1 357.542 3.086 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000562988516 505012447 /nfs/dbraw/zinc/01/24/47/505012447.db2.gz PDQHHJWFAINPHD-ROUUACIJSA-N 2 1 359.514 3.152 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(Br)cc1 ZINC000565885899 505016762 /nfs/dbraw/zinc/01/67/62/505016762.db2.gz COTHLDAOPRDUSS-CJNGLKHVSA-N 2 1 368.319 3.288 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000556938376 505024292 /nfs/dbraw/zinc/02/42/92/505024292.db2.gz POUXUEVFROCDRN-XLIONFOSSA-N 2 1 372.582 3.453 20 0 FGADMP CC1(C)[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1Oc1ccccc1 ZINC000560245070 505027886 /nfs/dbraw/zinc/02/78/86/505027886.db2.gz GVUAAOYOJJEFCY-PMACEKPBSA-N 2 1 358.526 3.467 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000563047897 505033729 /nfs/dbraw/zinc/03/37/29/505033729.db2.gz JWAFBBCNUJZDDD-RTWAWAEBSA-N 2 1 357.542 3.265 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563121786 505053121 /nfs/dbraw/zinc/05/31/21/505053121.db2.gz FRBHXKFZLSSGLE-HXUWFJFHSA-N 2 1 358.526 3.216 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000563121786 505053124 /nfs/dbraw/zinc/05/31/24/505053124.db2.gz FRBHXKFZLSSGLE-HXUWFJFHSA-N 2 1 358.526 3.216 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621083 505074729 /nfs/dbraw/zinc/07/47/29/505074729.db2.gz BPDIIDCRSVCVPH-UTKZUKDTSA-N 2 1 352.478 3.001 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621083 505074734 /nfs/dbraw/zinc/07/47/34/505074734.db2.gz BPDIIDCRSVCVPH-UTKZUKDTSA-N 2 1 352.478 3.001 20 0 FGADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000560410071 505075757 /nfs/dbraw/zinc/07/57/57/505075757.db2.gz DZUOMVRLYXBIEA-IBGZPJMESA-N 2 1 374.529 3.109 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000566131806 505092617 /nfs/dbraw/zinc/09/26/17/505092617.db2.gz PPZIIDRTAMFNFW-QMTMVMCOSA-N 2 1 352.906 3.019 20 0 FGADMP CCC(CC)[C@H](C[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O)[NH+](C)C ZINC000560520263 505112210 /nfs/dbraw/zinc/11/22/10/505112210.db2.gz DONKDFVATSUDSH-BEFAXECRSA-N 2 1 359.514 3.017 20 0 FGADMP OCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000566228652 505119207 /nfs/dbraw/zinc/11/92/07/505119207.db2.gz GTUBDGYBZQHRCL-JOCHJYFZSA-N 2 1 362.517 3.303 20 0 FGADMP OCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000566228652 505119210 /nfs/dbraw/zinc/11/92/10/505119210.db2.gz GTUBDGYBZQHRCL-JOCHJYFZSA-N 2 1 362.517 3.303 20 0 FGADMP Cn1ccc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000560549842 505122814 /nfs/dbraw/zinc/12/28/14/505122814.db2.gz ZIGDSWIECDCELN-ILWGZMRPSA-N 2 1 352.526 3.243 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000560576136 505131170 /nfs/dbraw/zinc/13/11/70/505131170.db2.gz UAKGMNAEUOYOLS-UDGWLPKNSA-N 2 1 369.553 3.180 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551084363 505153888 /nfs/dbraw/zinc/15/38/88/505153888.db2.gz YTRXRDOZMJSQAN-CTNGQTDRSA-N 2 1 368.477 3.164 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551084363 505153892 /nfs/dbraw/zinc/15/38/92/505153892.db2.gz YTRXRDOZMJSQAN-CTNGQTDRSA-N 2 1 368.477 3.164 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265376 505188422 /nfs/dbraw/zinc/18/84/22/505188422.db2.gz UZLQTEWMQABNCL-LEWJYISDSA-N 2 1 358.526 3.074 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899034 505209482 /nfs/dbraw/zinc/20/94/82/505209482.db2.gz DGWWHAAFGJRXGP-FUHWJXTLSA-N 2 1 357.523 3.121 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899034 505209487 /nfs/dbraw/zinc/20/94/87/505209487.db2.gz DGWWHAAFGJRXGP-FUHWJXTLSA-N 2 1 357.523 3.121 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000554622074 505225311 /nfs/dbraw/zinc/22/53/11/505225311.db2.gz MGMBBUPFTKVYHJ-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561045460 505237364 /nfs/dbraw/zinc/23/73/64/505237364.db2.gz LNXJUJXTKQPGPT-QGZVFWFLSA-N 2 1 364.493 3.071 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561045460 505237367 /nfs/dbraw/zinc/23/73/67/505237367.db2.gz LNXJUJXTKQPGPT-QGZVFWFLSA-N 2 1 364.493 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC000566672669 505240558 /nfs/dbraw/zinc/24/05/58/505240558.db2.gz ZIQUCNQINRXJHW-MRXNPFEDSA-N 2 1 362.481 3.158 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952122 505287166 /nfs/dbraw/zinc/28/71/66/505287166.db2.gz BRRUSHLHSPJRIH-YHYVQYDKSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952122 505287172 /nfs/dbraw/zinc/28/71/72/505287172.db2.gz BRRUSHLHSPJRIH-YHYVQYDKSA-N 2 1 356.485 3.372 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000564008592 505300818 /nfs/dbraw/zinc/30/08/18/505300818.db2.gz LHVXGOAAGFURFM-KNQAVFIVSA-N 2 1 370.541 3.158 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309545 505311428 /nfs/dbraw/zinc/31/14/28/505311428.db2.gz NOEQJZYPYRCIIV-FSSWDIPSSA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309545 505311430 /nfs/dbraw/zinc/31/14/30/505311430.db2.gz NOEQJZYPYRCIIV-FSSWDIPSSA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309545 505311433 /nfs/dbraw/zinc/31/14/33/505311433.db2.gz NOEQJZYPYRCIIV-FSSWDIPSSA-N 2 1 363.505 3.070 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000564145565 505336814 /nfs/dbraw/zinc/33/68/14/505336814.db2.gz ZBMRQBIIJRBQBW-HXUWFJFHSA-N 2 1 368.525 3.078 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C2)CC1 ZINC000564156565 505341021 /nfs/dbraw/zinc/34/10/21/505341021.db2.gz ISCMYVNHFHIOEE-FQEVSTJZSA-N 2 1 371.569 3.444 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000555158722 505366360 /nfs/dbraw/zinc/36/63/60/505366360.db2.gz GCLNAZMFTHYNPQ-LJQANCHMSA-N 2 1 374.573 3.379 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580734 505382886 /nfs/dbraw/zinc/38/28/86/505382886.db2.gz ZLSHIHZFGNDCEV-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580734 505382890 /nfs/dbraw/zinc/38/28/90/505382890.db2.gz ZLSHIHZFGNDCEV-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580734 505382895 /nfs/dbraw/zinc/38/28/95/505382895.db2.gz ZLSHIHZFGNDCEV-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000567172368 505384760 /nfs/dbraw/zinc/38/47/60/505384760.db2.gz KLHJOYIFFPFTHH-UHFFFAOYSA-N 2 1 355.457 3.321 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060589 505386229 /nfs/dbraw/zinc/38/62/29/505386229.db2.gz PJRDKGMTGHSBRM-HVQRGMKJSA-N 2 1 371.569 3.337 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(F)cc2Br)CC1 ZINC000561740423 505423532 /nfs/dbraw/zinc/42/35/32/505423532.db2.gz MMINHLYJRHUWQA-ZDUSSCGKSA-N 2 1 373.310 3.220 20 0 FGADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000567453899 505468445 /nfs/dbraw/zinc/46/84/45/505468445.db2.gz XCGHCSWSSPLPLQ-JBYIUTFZSA-N 2 1 372.557 3.187 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645459 505523587 /nfs/dbraw/zinc/52/35/87/505523587.db2.gz NRDZZWSFGLQDBN-VQTJNVASSA-N 2 1 368.525 3.078 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645459 505523592 /nfs/dbraw/zinc/52/35/92/505523592.db2.gz NRDZZWSFGLQDBN-VQTJNVASSA-N 2 1 368.525 3.078 20 0 FGADMP Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)s1 ZINC000567650802 505525481 /nfs/dbraw/zinc/52/54/81/505525481.db2.gz UCJKADFBBXDMDN-HXUWFJFHSA-N 2 1 355.551 3.449 20 0 FGADMP Cc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)s1 ZINC000567650802 505525483 /nfs/dbraw/zinc/52/54/83/505525483.db2.gz UCJKADFBBXDMDN-HXUWFJFHSA-N 2 1 355.551 3.449 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000555876610 505530927 /nfs/dbraw/zinc/53/09/27/505530927.db2.gz FUXASWRBYYAHBX-UHFFFAOYSA-N 2 1 374.488 3.463 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000608067792 506404067 /nfs/dbraw/zinc/40/40/67/506404067.db2.gz SFBQXIXWNPZNLT-SWLSCSKDSA-N 2 1 369.303 3.040 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000608067792 506404071 /nfs/dbraw/zinc/40/40/71/506404071.db2.gz SFBQXIXWNPZNLT-SWLSCSKDSA-N 2 1 369.303 3.040 20 0 FGADMP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000589262853 506500752 /nfs/dbraw/zinc/50/07/52/506500752.db2.gz XSZMZEHQVMTMPW-AWEZNQCLSA-N 2 1 369.387 3.355 20 0 FGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000589262853 506500758 /nfs/dbraw/zinc/50/07/58/506500758.db2.gz XSZMZEHQVMTMPW-AWEZNQCLSA-N 2 1 369.387 3.355 20 0 FGADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000582971956 506517203 /nfs/dbraw/zinc/51/72/03/506517203.db2.gz BAHOGGRIQBUWRZ-HXUWFJFHSA-N 2 1 351.494 3.251 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH+]1CC ZINC000608697771 506671890 /nfs/dbraw/zinc/67/18/90/506671890.db2.gz CVAIDGGIPXQZJZ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000608697771 506671895 /nfs/dbraw/zinc/67/18/95/506671895.db2.gz CVAIDGGIPXQZJZ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000608697771 506671904 /nfs/dbraw/zinc/67/19/04/506671904.db2.gz CVAIDGGIPXQZJZ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000604080016 506707715 /nfs/dbraw/zinc/70/77/15/506707715.db2.gz HBZMANYOVPJQLS-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000604080016 506707720 /nfs/dbraw/zinc/70/77/20/506707720.db2.gz HBZMANYOVPJQLS-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604080016 506707722 /nfs/dbraw/zinc/70/77/22/506707722.db2.gz HBZMANYOVPJQLS-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078969 506727155 /nfs/dbraw/zinc/72/71/55/506727155.db2.gz MJJHOAANWVNUTN-CTNGQTDRSA-N 2 1 372.557 3.387 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000604176084 506737376 /nfs/dbraw/zinc/73/73/76/506737376.db2.gz VMVXWQKIZSPRNN-NJYVYQBISA-N 2 1 370.541 3.140 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604186111 506742074 /nfs/dbraw/zinc/74/20/74/506742074.db2.gz LWDXLMKKCUEJQT-FQEVSTJZSA-N 2 1 370.541 3.099 20 0 FGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000604390293 506814283 /nfs/dbraw/zinc/81/42/83/506814283.db2.gz UOKKXOWVAOKYCD-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000604390293 506814289 /nfs/dbraw/zinc/81/42/89/506814289.db2.gz UOKKXOWVAOKYCD-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP CC[NH+]1CCCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000600261092 506878011 /nfs/dbraw/zinc/87/80/11/506878011.db2.gz UPFLDUMKSQGYCX-LJQANCHMSA-N 2 1 373.541 3.108 20 0 FGADMP CC[NH+]1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000600261092 506878016 /nfs/dbraw/zinc/87/80/16/506878016.db2.gz UPFLDUMKSQGYCX-LJQANCHMSA-N 2 1 373.541 3.108 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000583772021 506964673 /nfs/dbraw/zinc/96/46/73/506964673.db2.gz KEKXBSJFGVLMHR-GOSISDBHSA-N 2 1 368.953 3.316 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000583806403 506983717 /nfs/dbraw/zinc/98/37/17/506983717.db2.gz CBAFNFSLJHGGFJ-WXDAQCLHSA-N 2 1 370.497 3.496 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[NH+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967546 507008144 /nfs/dbraw/zinc/00/81/44/507008144.db2.gz DGAHAPCJBCGDDO-UWJYYQICSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967546 507008149 /nfs/dbraw/zinc/00/81/49/507008149.db2.gz DGAHAPCJBCGDDO-UWJYYQICSA-N 2 1 355.526 3.370 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)cc1)C1CC1 ZINC000604967546 507008158 /nfs/dbraw/zinc/00/81/58/507008158.db2.gz DGAHAPCJBCGDDO-UWJYYQICSA-N 2 1 355.526 3.370 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000583920676 507051266 /nfs/dbraw/zinc/05/12/66/507051266.db2.gz XNUZMVHHNUEFTQ-HBFSDRIKSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961966 507071814 /nfs/dbraw/zinc/07/18/14/507071814.db2.gz YSPQYWFNGGBDIB-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000583961966 507071818 /nfs/dbraw/zinc/07/18/18/507071818.db2.gz YSPQYWFNGGBDIB-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000583961966 507071822 /nfs/dbraw/zinc/07/18/22/507071822.db2.gz YSPQYWFNGGBDIB-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095055 507111584 /nfs/dbraw/zinc/11/15/84/507111584.db2.gz UPIWBJZPLVPWJN-NHCUHLMSSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584053917 507126357 /nfs/dbraw/zinc/12/63/57/507126357.db2.gz PQQOGRYUAVQRJT-KTSGXFQWSA-N 2 1 356.297 3.380 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584053917 507126365 /nfs/dbraw/zinc/12/63/65/507126365.db2.gz PQQOGRYUAVQRJT-KTSGXFQWSA-N 2 1 356.297 3.380 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127515 507126271 /nfs/dbraw/zinc/12/62/71/507126271.db2.gz BVFCBLIDWNRAST-QFBILLFUSA-N 2 1 363.571 3.121 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127515 507126272 /nfs/dbraw/zinc/12/62/72/507126272.db2.gz BVFCBLIDWNRAST-QFBILLFUSA-N 2 1 363.571 3.121 20 0 FGADMP Cc1ccc(F)c(N2CCC[C@H]([NH+]3CCC(C[NH+]4CCCC4)CC3)C2=O)c1 ZINC000605316762 507140969 /nfs/dbraw/zinc/14/09/69/507140969.db2.gz YLOMINLTNUUVQQ-FQEVSTJZSA-N 2 1 373.516 3.437 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000600839478 507143527 /nfs/dbraw/zinc/14/35/27/507143527.db2.gz NWLZMBPDNXYRPA-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000594516829 507166554 /nfs/dbraw/zinc/16/65/54/507166554.db2.gz FYWBTGJDQXDDSM-HKUYNNGSSA-N 2 1 368.562 3.223 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC/C=C/c3ccccc3)CC2)CC1 ZINC000584181188 507199024 /nfs/dbraw/zinc/19/90/24/507199024.db2.gz RBHAASPRUXWIQN-RMKNXTFCSA-N 2 1 355.526 3.012 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000600960424 507208692 /nfs/dbraw/zinc/20/86/92/507208692.db2.gz XKZZKOYKOWXCEM-MOXWOTFGSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000600960424 507208700 /nfs/dbraw/zinc/20/87/00/507208700.db2.gz XKZZKOYKOWXCEM-MOXWOTFGSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000600960424 507208705 /nfs/dbraw/zinc/20/87/05/507208705.db2.gz XKZZKOYKOWXCEM-MOXWOTFGSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+]1CCc2ccccc2C1 ZINC000600960424 507208712 /nfs/dbraw/zinc/20/87/12/507208712.db2.gz XKZZKOYKOWXCEM-MOXWOTFGSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC([NH+](C)C)CC1 ZINC000591429967 507247885 /nfs/dbraw/zinc/24/78/85/507247885.db2.gz JJZAIZRFBLGDLF-GOSISDBHSA-N 2 1 373.541 3.106 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000591437389 507249359 /nfs/dbraw/zinc/24/93/59/507249359.db2.gz GXQSUIBFUASFED-YJBOKZPZSA-N 2 1 353.466 3.217 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584289827 507261842 /nfs/dbraw/zinc/26/18/42/507261842.db2.gz LEJIORBAZAJTQC-MJGOQNOKSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584289827 507261850 /nfs/dbraw/zinc/26/18/50/507261850.db2.gz LEJIORBAZAJTQC-MJGOQNOKSA-N 2 1 367.896 3.120 20 0 FGADMP CN(CC[N@@H+](C)CCCc1c(F)cccc1Cl)C1CC[NH+](C)CC1 ZINC000584377784 507310988 /nfs/dbraw/zinc/31/09/88/507310988.db2.gz DZELJDFPFGFKPV-UHFFFAOYSA-N 2 1 355.929 3.370 20 0 FGADMP Ic1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594993439 507345438 /nfs/dbraw/zinc/34/54/38/507345438.db2.gz GJYIBLVTSSZGTK-HOTGVXAUSA-N 2 1 370.278 3.050 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000595059574 507372011 /nfs/dbraw/zinc/37/20/11/507372011.db2.gz IXEWIAVAXZCOMG-MLBFVAKVSA-N 2 1 360.567 3.461 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000595059574 507372017 /nfs/dbraw/zinc/37/20/17/507372017.db2.gz IXEWIAVAXZCOMG-MLBFVAKVSA-N 2 1 360.567 3.461 20 0 FGADMP O=C(NCc1cccc(-n2ccnc2)c1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000584570609 507416745 /nfs/dbraw/zinc/41/67/45/507416745.db2.gz ZTHGIUUADPDGIC-FQEVSTJZSA-N 2 1 352.482 3.286 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1C ZINC000602008157 507552006 /nfs/dbraw/zinc/55/20/06/507552006.db2.gz QGZXYJWWAHTACB-YQQQUEKLSA-N 2 1 367.493 3.097 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1C ZINC000602008157 507552012 /nfs/dbraw/zinc/55/20/12/507552012.db2.gz QGZXYJWWAHTACB-YQQQUEKLSA-N 2 1 367.493 3.097 20 0 FGADMP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000611257716 507585908 /nfs/dbraw/zinc/58/59/08/507585908.db2.gz BPSGNNXHMCFJHU-TVPLGVNVSA-N 2 1 366.546 3.120 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000607279765 507675151 /nfs/dbraw/zinc/67/51/51/507675151.db2.gz NGCYBHCORISQSK-MDZRGWNJSA-N 2 1 363.933 3.466 20 0 FGADMP Ic1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000592490482 507676370 /nfs/dbraw/zinc/67/63/70/507676370.db2.gz SDJXEWTVQPELBS-HNNXBMFYSA-N 2 1 370.278 3.113 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284610 507679572 /nfs/dbraw/zinc/67/95/72/507679572.db2.gz ILWHDROGGIVKID-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607284610 507679577 /nfs/dbraw/zinc/67/95/77/507679577.db2.gz ILWHDROGGIVKID-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607284610 507679581 /nfs/dbraw/zinc/67/95/81/507679581.db2.gz ILWHDROGGIVKID-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000607333232 507692572 /nfs/dbraw/zinc/69/25/72/507692572.db2.gz FMAWWKHURJZPER-SFHVURJKSA-N 2 1 351.922 3.274 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000607358513 507699890 /nfs/dbraw/zinc/69/98/90/507699890.db2.gz XGDFHEZRCPZXRS-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358513 507699896 /nfs/dbraw/zinc/69/98/96/507699896.db2.gz XGDFHEZRCPZXRS-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(-c2ccccc2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358513 507699900 /nfs/dbraw/zinc/69/99/00/507699900.db2.gz XGDFHEZRCPZXRS-KNQAVFIVSA-N 2 1 368.521 3.367 20 0 FGADMP COc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962528 507707223 /nfs/dbraw/zinc/70/72/23/507707223.db2.gz LFJZBVNEBXJYQW-WOJBJXKFSA-N 2 1 359.558 3.473 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000602515932 507734511 /nfs/dbraw/zinc/73/45/11/507734511.db2.gz FBIJHPZBOWLFAW-GHMZBOCLSA-N 2 1 362.280 3.069 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000602515932 507734507 /nfs/dbraw/zinc/73/45/07/507734507.db2.gz FBIJHPZBOWLFAW-GHMZBOCLSA-N 2 1 362.280 3.069 20 0 FGADMP Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)nc(N(C)C)n1 ZINC000488438816 516225328 /nfs/dbraw/zinc/22/53/28/516225328.db2.gz YQZLWAWFWPJYCA-OAHLLOKOSA-N 2 1 354.502 3.233 20 0 FGADMP c1ccc2c(c1)CC[N@@H+](CCCNc1cc[nH+]c(N3CCCCC3)n1)C2 ZINC000543693280 516369689 /nfs/dbraw/zinc/36/96/89/516369689.db2.gz VIOYQEZSGWGIDW-UHFFFAOYSA-N 2 1 351.498 3.327 20 0 FGADMP c1ccc2c(c1)CC[N@H+](CCCNc1cc[nH+]c(N3CCCCC3)n1)C2 ZINC000543693280 516369696 /nfs/dbraw/zinc/36/96/96/516369696.db2.gz VIOYQEZSGWGIDW-UHFFFAOYSA-N 2 1 351.498 3.327 20 0 FGADMP Nc1nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)nc2ccccc12 ZINC000519035644 516862465 /nfs/dbraw/zinc/86/24/65/516862465.db2.gz BCOYAFVDIZRPPD-OALUTQOASA-N 2 1 373.504 3.166 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000531122270 518145682 /nfs/dbraw/zinc/14/56/82/518145682.db2.gz OIUUZUMUAGSAKK-FQEVSTJZSA-N 2 1 354.498 3.391 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000637033780 568314204 /nfs/dbraw/zinc/31/42/04/568314204.db2.gz LYYWVVMTZRAWLX-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824529154 609350289 /nfs/dbraw/zinc/35/02/89/609350289.db2.gz FEEDIRKUAZUDSQ-MPGHIAIKSA-N 2 1 354.502 3.170 20 0 FGADMP CN(Cc1cccs1)C(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048563317 695882878 /nfs/dbraw/zinc/88/28/78/695882878.db2.gz PMHTZCUZBPNCRU-UHFFFAOYSA-N 2 1 363.571 3.295 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000120466602 700655026 /nfs/dbraw/zinc/65/50/26/700655026.db2.gz HJWIQEONDUBUMR-LZQZEXGQSA-N 2 1 354.922 3.100 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000120466437 700655053 /nfs/dbraw/zinc/65/50/53/700655053.db2.gz HJWIQEONDUBUMR-MNEFBYGVSA-N 2 1 354.922 3.100 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000136373799 704860384 /nfs/dbraw/zinc/86/03/84/704860384.db2.gz CVPRIYHVMAAFNS-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000136373799 704860387 /nfs/dbraw/zinc/86/03/87/704860387.db2.gz CVPRIYHVMAAFNS-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150829342 704902268 /nfs/dbraw/zinc/90/22/68/704902268.db2.gz DEKYCGWXDWRZFR-GOSISDBHSA-N 2 1 351.535 3.051 20 0 FGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178469591 705665982 /nfs/dbraw/zinc/66/59/82/705665982.db2.gz WEFAKINMKXPOLD-KSSFIOAISA-N 2 1 350.503 3.453 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000180344662 705735820 /nfs/dbraw/zinc/73/58/20/705735820.db2.gz GEHJFWCBNPPORL-YESZJQIVSA-N 2 1 351.535 3.238 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195163704 713547327 /nfs/dbraw/zinc/54/73/27/713547327.db2.gz PYFBDZOZBZPMDK-FQEVSTJZSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000236672829 713582401 /nfs/dbraw/zinc/58/24/01/713582401.db2.gz OQJLOQPKNJYJAS-SFHVURJKSA-N 2 1 353.551 3.344 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(Br)c1OC ZINC000237110354 713588372 /nfs/dbraw/zinc/58/83/72/713588372.db2.gz RWLYEOCDMZYPLX-UHFFFAOYSA-N 2 1 371.319 3.429 20 0 FGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000246295854 713621259 /nfs/dbraw/zinc/62/12/59/713621259.db2.gz YEEPBEPURPZGRQ-JFIYKMOQSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310591322 713799772 /nfs/dbraw/zinc/79/97/72/713799772.db2.gz GHIFSHHEEWGIGZ-XDNAFOTISA-N 2 1 351.535 3.381 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1cccs1 ZINC000374412040 713920756 /nfs/dbraw/zinc/92/07/56/713920756.db2.gz PIKGCQYPVUWSAT-UWVAXJGDSA-N 2 1 357.523 3.337 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522604693 714195086 /nfs/dbraw/zinc/19/50/86/714195086.db2.gz UHWJKZPSLGRZTO-FGTMMUONSA-N 2 1 354.583 3.020 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc(Cl)cc3)C2)CC1 ZINC000525172585 714326017 /nfs/dbraw/zinc/32/60/17/714326017.db2.gz DXXTYEKPSUCEHI-LJQANCHMSA-N 2 1 365.949 3.209 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000525270346 714338268 /nfs/dbraw/zinc/33/82/68/714338268.db2.gz DSCZCKKBGNDQDW-UHFFFAOYSA-N 2 1 372.294 3.455 20 0 FGADMP Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506462 714663503 /nfs/dbraw/zinc/66/35/03/714663503.db2.gz OGGZOCPYALLDHG-ZDUSSCGKSA-N 2 1 364.921 3.132 20 0 FGADMP Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506462 714663505 /nfs/dbraw/zinc/66/35/05/714663505.db2.gz OGGZOCPYALLDHG-ZDUSSCGKSA-N 2 1 364.921 3.132 20 0 FGADMP C[C@@H]1[C@H](C(=O)Nc2nc3ccc(C[NH+](C)C4CC4)cc3s2)CC[N@H+]1C ZINC000617867030 714698719 /nfs/dbraw/zinc/69/87/19/714698719.db2.gz GJHYFZKJSQYJGX-IUODEOHRSA-N 2 1 358.511 3.169 20 0 FGADMP C[C@@H]1[C@H](C(=O)Nc2nc3ccc(C[N@H+](C)C4CC4)cc3s2)CC[NH+]1C ZINC000617867030 714698724 /nfs/dbraw/zinc/69/87/24/714698724.db2.gz GJHYFZKJSQYJGX-IUODEOHRSA-N 2 1 358.511 3.169 20 0 FGADMP C[C@@H]1[C@H](C(=O)Nc2nc3ccc(C[N@@H+](C)C4CC4)cc3s2)CC[NH+]1C ZINC000617867030 714698726 /nfs/dbraw/zinc/69/87/26/714698726.db2.gz GJHYFZKJSQYJGX-IUODEOHRSA-N 2 1 358.511 3.169 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000623086279 715162347 /nfs/dbraw/zinc/16/23/47/715162347.db2.gz HIXBKEGIRGMZMA-UHFFFAOYSA-N 2 1 360.202 3.116 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414997 715330851 /nfs/dbraw/zinc/33/08/51/715330851.db2.gz WVPZCSFFYPKYOB-HUUCEWRRSA-N 2 1 366.347 3.490 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000630005945 716376943 /nfs/dbraw/zinc/37/69/43/716376943.db2.gz IEBMOOZDDGRGFE-HNNXBMFYSA-N 2 1 363.468 3.126 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631063539 716558119 /nfs/dbraw/zinc/55/81/19/716558119.db2.gz LZMKHBPGXICDHE-SNVBAGLBSA-N 2 1 357.683 3.428 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H](n3cncn3)C(F)(F)F)CC2)C1 ZINC000631685802 716659583 /nfs/dbraw/zinc/65/95/83/716659583.db2.gz AIJMIHIUKRFBNT-KBMXLJTQSA-N 2 1 359.440 3.014 20 0 FGADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cc(Cl)ccc2OC2CC[NH+](C)CC2)C1 ZINC000636006250 717222165 /nfs/dbraw/zinc/22/21/65/717222165.db2.gz XPTQIMWFNQTSHK-AWEZNQCLSA-N 2 1 365.905 3.093 20 0 FGADMP O=C(CCC1C[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000638292439 717431235 /nfs/dbraw/zinc/43/12/35/717431235.db2.gz FKKRBWRSPAXQTR-UHFFFAOYSA-N 2 1 370.324 3.074 20 0 FGADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638303338 717432292 /nfs/dbraw/zinc/43/22/92/717432292.db2.gz CUTXLYMJMOWMOB-MSOLQXFVSA-N 2 1 366.347 3.268 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@](C)(OC)C3CC3)CC2)cs1 ZINC000638624157 717470902 /nfs/dbraw/zinc/47/09/02/717470902.db2.gz XAULDCSGDOCJAZ-IBGZPJMESA-N 2 1 351.560 3.322 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000638749115 717481849 /nfs/dbraw/zinc/48/18/49/717481849.db2.gz JIWNSEHVFYUYLS-IRXDYDNUSA-N 2 1 372.340 3.433 20 0 FGADMP COCCc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000639114763 717517812 /nfs/dbraw/zinc/51/78/12/717517812.db2.gz OFFRPGQKTQOPNK-UHFFFAOYSA-N 2 1 360.527 3.244 20 0 FGADMP C[C@H]1OCC[C@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646330 717584421 /nfs/dbraw/zinc/58/44/21/717584421.db2.gz ORPQOAAEILWMCP-XDWAVFMPSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@H]1OCC[C@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646330 717584424 /nfs/dbraw/zinc/58/44/24/717584424.db2.gz ORPQOAAEILWMCP-XDWAVFMPSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@H]1OCC[C@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646330 717584426 /nfs/dbraw/zinc/58/44/26/717584426.db2.gz ORPQOAAEILWMCP-XDWAVFMPSA-N 2 1 350.547 3.014 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640534320 717761030 /nfs/dbraw/zinc/76/10/30/717761030.db2.gz PNBLDFWCVRHKRR-LJQANCHMSA-N 2 1 351.579 3.469 20 0 FGADMP C[NH+]1CCC(CNC(=O)Nc2cscc2Cl)(N2CCCCC2)CC1 ZINC000640781206 717807520 /nfs/dbraw/zinc/80/75/20/717807520.db2.gz KYHJVCYIQJCQPN-UHFFFAOYSA-N 2 1 370.950 3.473 20 0 FGADMP O[C@@]1(C(F)(F)F)CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000644423565 718111083 /nfs/dbraw/zinc/11/10/83/718111083.db2.gz SUCIQSIROIPZNA-ROUUACIJSA-N 2 1 356.432 3.129 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644525377 718118526 /nfs/dbraw/zinc/11/85/26/718118526.db2.gz BTKYQVNSANBJQF-GXTWGEPZSA-N 2 1 372.296 3.164 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000644525431 718119132 /nfs/dbraw/zinc/11/91/32/718119132.db2.gz KUTJNYMGNAXZRP-ZRGWGRIASA-N 2 1 365.905 3.209 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2nc(-c3c(F)cccc3F)cs2)CC1 ZINC000647860812 718381697 /nfs/dbraw/zinc/38/16/97/718381697.db2.gz ZZNHXVVNAKJKDJ-UHFFFAOYSA-N 2 1 367.465 3.418 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)C1 ZINC000650705610 718716790 /nfs/dbraw/zinc/71/67/90/718716790.db2.gz NSDQFDOPHYXUJQ-UAGQMJEPSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706090 718717105 /nfs/dbraw/zinc/71/71/05/718717105.db2.gz CYPJWLKNUDHWSB-LZLYRXPVSA-N 2 1 354.441 3.049 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707013 718717746 /nfs/dbraw/zinc/71/77/46/718717746.db2.gz WYIDOZSKZYVYJM-ZMSDIMECSA-N 2 1 358.404 3.304 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723725 718721174 /nfs/dbraw/zinc/72/11/74/718721174.db2.gz SJEHPAMWESFKBN-FGTMMUONSA-N 2 1 350.890 3.136 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCCC[N@@H+](CC)C2CCCCC2)CC1 ZINC000650926721 718745292 /nfs/dbraw/zinc/74/52/92/718745292.db2.gz RHRWMAVRLNHLAW-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000651220342 718784338 /nfs/dbraw/zinc/78/43/38/718784338.db2.gz BSCPEVFPARSFCN-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479519 718818746 /nfs/dbraw/zinc/81/87/46/718818746.db2.gz HHBVQGYOHSEUTI-LEUOFYLZSA-N 2 1 355.448 3.089 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479519 718818749 /nfs/dbraw/zinc/81/87/49/718818749.db2.gz HHBVQGYOHSEUTI-LEUOFYLZSA-N 2 1 355.448 3.089 20 0 FGADMP Clc1ccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000655773383 719337800 /nfs/dbraw/zinc/33/78/00/719337800.db2.gz XYTMMGYBYRFHGV-AWEZNQCLSA-N 2 1 359.297 3.215 20 0 FGADMP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656784777 719471207 /nfs/dbraw/zinc/47/12/07/719471207.db2.gz HEGVQEOBAJQPED-CQSZACIVSA-N 2 1 353.304 3.366 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657349083 719631244 /nfs/dbraw/zinc/63/12/44/719631244.db2.gz ADFPLCKDEBSGKZ-SFHVURJKSA-N 2 1 357.523 3.092 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(C(C)(C)c2ccnc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164680296 719652922 /nfs/dbraw/zinc/65/29/22/719652922.db2.gz FDWXCJFRECKRIW-UHFFFAOYSA-N 2 1 361.921 3.201 20 0 FGADMP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000657525798 719665782 /nfs/dbraw/zinc/66/57/82/719665782.db2.gz WBLJRICFLMKLEM-INIZCTEOSA-N 2 1 364.965 3.054 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000657750381 719704291 /nfs/dbraw/zinc/70/42/91/719704291.db2.gz IWHPNYDHCKEWMQ-RDTXWAMCSA-N 2 1 367.331 3.396 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)c(Cl)c1 ZINC000657847992 719720008 /nfs/dbraw/zinc/72/00/08/719720008.db2.gz ZEUPJJANADPCRA-WCQYABFASA-N 2 1 361.711 3.210 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3(OC)CCC3)CC2)cs1 ZINC000657878712 719724139 /nfs/dbraw/zinc/72/41/39/719724139.db2.gz IBMCSKNXGVYTDI-HNNXBMFYSA-N 2 1 351.560 3.465 20 0 FGADMP COc1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164698329 719886867 /nfs/dbraw/zinc/88/68/67/719886867.db2.gz FMKZVCNAQDDKQZ-UHFFFAOYSA-N 2 1 359.495 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660153732 719998260 /nfs/dbraw/zinc/99/82/60/719998260.db2.gz HEMAKDPUEBPUKJ-VQIMIIECSA-N 2 1 367.990 3.390 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)C1 ZINC000662280249 720409104 /nfs/dbraw/zinc/40/91/04/720409104.db2.gz BRSMBNYCVHCFSI-DOTOQJQBSA-N 2 1 358.404 3.145 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299073 720412102 /nfs/dbraw/zinc/41/21/02/720412102.db2.gz ZKKSTISWXRLTQL-RDJZCZTQSA-N 2 1 361.555 3.447 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662511047 720436891 /nfs/dbraw/zinc/43/68/91/720436891.db2.gz IBMGNQCBDCRLFT-OALUTQOASA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000662511047 720436894 /nfs/dbraw/zinc/43/68/94/720436894.db2.gz IBMGNQCBDCRLFT-OALUTQOASA-N 2 1 355.869 3.118 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001164836281 720541578 /nfs/dbraw/zinc/54/15/78/720541578.db2.gz JJRSIFZKFFEGCN-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164836281 720541580 /nfs/dbraw/zinc/54/15/80/720541580.db2.gz JJRSIFZKFFEGCN-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP C[N@@H+](Cc1ccc(N([C@@H]2COC3(C2)CC[NH2+]CC3)C(C)(C)C)nc1)C1CC1 ZINC001164733989 720546601 /nfs/dbraw/zinc/54/66/01/720546601.db2.gz FKXVKFYSHZPOND-IBGZPJMESA-N 2 1 372.557 3.192 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665366968 720760674 /nfs/dbraw/zinc/76/06/74/720760674.db2.gz MLFNTKHLUKIDRF-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665366968 720760677 /nfs/dbraw/zinc/76/06/77/720760677.db2.gz MLFNTKHLUKIDRF-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000665366968 720760682 /nfs/dbraw/zinc/76/06/82/720760682.db2.gz MLFNTKHLUKIDRF-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(N3CCCC3)cc[nH+]1)[C@@H]2C ZINC001164856279 720979458 /nfs/dbraw/zinc/97/94/58/720979458.db2.gz AOKNKZGKPRKPGZ-QGZVFWFLSA-N 2 1 368.529 3.300 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855232 720991190 /nfs/dbraw/zinc/99/11/90/720991190.db2.gz GRRORJIQSWSOFX-INIZCTEOSA-N 2 1 371.319 3.096 20 0 FGADMP Cc1[nH+]c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164904649 721549181 /nfs/dbraw/zinc/54/91/81/721549181.db2.gz FWZLGJFUFCBRKZ-AEFFLSMTSA-N 2 1 366.440 3.352 20 0 FGADMP CN(CC[N@H+](C)Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000685454642 722385607 /nfs/dbraw/zinc/38/56/07/722385607.db2.gz HMHCIMVYFXHEQG-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP CN(CC[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000685454642 722385609 /nfs/dbraw/zinc/38/56/09/722385609.db2.gz HMHCIMVYFXHEQG-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802403 722409863 /nfs/dbraw/zinc/40/98/63/722409863.db2.gz IQTKMHWHKGWSQB-KZNAEPCWSA-N 2 1 353.551 3.391 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000702610349 722410651 /nfs/dbraw/zinc/41/06/51/722410651.db2.gz HUUHYUDNAIENJM-MSOLQXFVSA-N 2 1 351.535 3.240 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000732569074 722486147 /nfs/dbraw/zinc/48/61/47/722486147.db2.gz AMESFXSDBURSLG-UHFFFAOYSA-N 2 1 357.470 3.213 20 0 FGADMP c1csc(-c2ccn(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)n2)c1 ZINC000738110643 722528678 /nfs/dbraw/zinc/52/86/78/722528678.db2.gz GYBCEUKBPISSKS-UHFFFAOYSA-N 2 1 360.527 3.003 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855536 722571907 /nfs/dbraw/zinc/57/19/07/722571907.db2.gz QZHLYXBIPNBPEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855536 722571908 /nfs/dbraw/zinc/57/19/08/722571908.db2.gz QZHLYXBIPNBPEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855536 722571909 /nfs/dbraw/zinc/57/19/09/722571909.db2.gz QZHLYXBIPNBPEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(Br)cc1 ZINC000743855536 722571910 /nfs/dbraw/zinc/57/19/10/722571910.db2.gz QZHLYXBIPNBPEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP O=S(=O)(CC[NH+]1C2CCCC1CCC2)CC[NH+]1C2CCCC1CCC2 ZINC000744407321 722576633 /nfs/dbraw/zinc/57/66/33/722576633.db2.gz TUGUJHCUTPURMJ-UHFFFAOYSA-N 2 1 368.587 3.215 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3c(=S)ncn3-c3ccccc3)C2)CC1 ZINC000755780385 722956893 /nfs/dbraw/zinc/95/68/93/722956893.db2.gz YGXBPJXFLKIGIP-QGZVFWFLSA-N 2 1 357.527 3.024 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c(=S)ncn3-c3ccccc3)C2)CC1 ZINC000755780385 722956894 /nfs/dbraw/zinc/95/68/94/722956894.db2.gz YGXBPJXFLKIGIP-QGZVFWFLSA-N 2 1 357.527 3.024 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881862 723101216 /nfs/dbraw/zinc/10/12/16/723101216.db2.gz SUIGSVUUNSXIST-KURKYZTESA-N 2 1 351.535 3.335 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881862 723101218 /nfs/dbraw/zinc/10/12/18/723101218.db2.gz SUIGSVUUNSXIST-KURKYZTESA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881862 723101221 /nfs/dbraw/zinc/10/12/21/723101221.db2.gz SUIGSVUUNSXIST-KURKYZTESA-N 2 1 351.535 3.335 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000760881862 723101222 /nfs/dbraw/zinc/10/12/22/723101222.db2.gz SUIGSVUUNSXIST-KURKYZTESA-N 2 1 351.535 3.335 20 0 FGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1cccc(Br)c1 ZINC000774208872 723869839 /nfs/dbraw/zinc/86/98/39/723869839.db2.gz KLUCVCIBARLANF-OHRKKDJYSA-N 2 1 353.304 3.431 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635353 723912826 /nfs/dbraw/zinc/91/28/26/723912826.db2.gz CYFIIDWSVHSFAT-JDFRZJQESA-N 2 1 373.310 3.426 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635353 723912828 /nfs/dbraw/zinc/91/28/28/723912828.db2.gz CYFIIDWSVHSFAT-JDFRZJQESA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635353 723912832 /nfs/dbraw/zinc/91/28/32/723912832.db2.gz CYFIIDWSVHSFAT-JDFRZJQESA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635353 723912834 /nfs/dbraw/zinc/91/28/34/723912834.db2.gz CYFIIDWSVHSFAT-JDFRZJQESA-N 2 1 373.310 3.426 20 0 FGADMP C[NH+](C)Cc1cc(NC(=S)NCC(C)(C)C[NH+](C)C)ccc1Cl ZINC000798378257 723927274 /nfs/dbraw/zinc/92/72/74/723927274.db2.gz CRWZNTOKOOHRTR-UHFFFAOYSA-N 2 1 356.967 3.276 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000774991444 723949024 /nfs/dbraw/zinc/94/90/24/723949024.db2.gz FWVIITWDPYCBJP-SFHVURJKSA-N 2 1 367.331 3.491 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944837 723977398 /nfs/dbraw/zinc/97/73/98/723977398.db2.gz DIPOIAZLNICHQQ-PXNSSMCTSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944837 723977400 /nfs/dbraw/zinc/97/74/00/723977400.db2.gz DIPOIAZLNICHQQ-PXNSSMCTSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000798944837 723977404 /nfs/dbraw/zinc/97/74/04/723977404.db2.gz DIPOIAZLNICHQQ-PXNSSMCTSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCCC[C@H]1C ZINC000788526842 725070689 /nfs/dbraw/zinc/07/06/89/725070689.db2.gz FXCWZAMIEKLSAM-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCCC[C@H]1C ZINC000788526842 725070691 /nfs/dbraw/zinc/07/06/91/725070691.db2.gz FXCWZAMIEKLSAM-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563618 725072935 /nfs/dbraw/zinc/07/29/35/725072935.db2.gz PZEQNCKQRCEYAO-HOTGVXAUSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788563618 725072939 /nfs/dbraw/zinc/07/29/39/725072939.db2.gz PZEQNCKQRCEYAO-HOTGVXAUSA-N 2 1 351.535 3.096 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC000788671636 725080291 /nfs/dbraw/zinc/08/02/91/725080291.db2.gz MYSPBFHUYYLDSY-SJORKVTESA-N 2 1 353.551 3.199 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(Cc2ncc(CN(C)C)s2)CC1 ZINC000809546276 725246201 /nfs/dbraw/zinc/24/62/01/725246201.db2.gz PAEIYRMDCRYWLZ-UHFFFAOYSA-N 2 1 358.555 3.221 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000809546276 725246202 /nfs/dbraw/zinc/24/62/02/725246202.db2.gz PAEIYRMDCRYWLZ-UHFFFAOYSA-N 2 1 358.555 3.221 20 0 FGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000810142541 725292358 /nfs/dbraw/zinc/29/23/58/725292358.db2.gz LKKISTDHIVYUDS-UHFFFAOYSA-N 2 1 373.372 3.177 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144097 727044652 /nfs/dbraw/zinc/04/46/52/727044652.db2.gz UFYBJQFCKGKGAQ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144097 727044653 /nfs/dbraw/zinc/04/46/53/727044653.db2.gz UFYBJQFCKGKGAQ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144097 727044657 /nfs/dbraw/zinc/04/46/57/727044657.db2.gz UFYBJQFCKGKGAQ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144097 727044660 /nfs/dbraw/zinc/04/46/60/727044660.db2.gz UFYBJQFCKGKGAQ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143699 727044940 /nfs/dbraw/zinc/04/49/40/727044940.db2.gz CPDWGNHKUNKTQZ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143699 727044942 /nfs/dbraw/zinc/04/49/42/727044942.db2.gz CPDWGNHKUNKTQZ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143699 727044946 /nfs/dbraw/zinc/04/49/46/727044946.db2.gz CPDWGNHKUNKTQZ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143699 727044952 /nfs/dbraw/zinc/04/49/52/727044952.db2.gz CPDWGNHKUNKTQZ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818966281 727331769 /nfs/dbraw/zinc/33/17/69/727331769.db2.gz PSNLMYYMTQJECD-MEDUHNTESA-N 2 1 370.266 3.052 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981488 727333985 /nfs/dbraw/zinc/33/39/85/727333985.db2.gz VGXYKJGWYRNLLB-DYVFJYSZSA-N 2 1 373.310 3.117 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000823489255 729284813 /nfs/dbraw/zinc/28/48/13/729284813.db2.gz CNMGTRYOGRIFDP-KSZLIROESA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000823489255 729284815 /nfs/dbraw/zinc/28/48/15/729284815.db2.gz CNMGTRYOGRIFDP-KSZLIROESA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000823489255 729284818 /nfs/dbraw/zinc/28/48/18/729284818.db2.gz CNMGTRYOGRIFDP-KSZLIROESA-N 2 1 353.551 3.199 20 0 FGADMP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823614228 729292663 /nfs/dbraw/zinc/29/26/63/729292663.db2.gz PCHNNMNDIPLLQS-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650045 729295899 /nfs/dbraw/zinc/29/58/99/729295899.db2.gz ZUWDLWYWLVGIJQ-ZACQAIPSSA-N 2 1 351.535 3.096 20 0 FGADMP O[C@H](C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919915 729364949 /nfs/dbraw/zinc/36/49/49/729364949.db2.gz ARJUZEPKUKXVBN-FUHWJXTLSA-N 2 1 354.479 3.417 20 0 FGADMP O[C@H](C[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919915 729364950 /nfs/dbraw/zinc/36/49/50/729364950.db2.gz ARJUZEPKUKXVBN-FUHWJXTLSA-N 2 1 354.479 3.417 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831267012 729629078 /nfs/dbraw/zinc/62/90/78/729629078.db2.gz GWEHQVUZURVBSI-SFHVURJKSA-N 2 1 352.567 3.192 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834911621 729845921 /nfs/dbraw/zinc/84/59/21/729845921.db2.gz ZOIRTOWCZFQRAQ-ZDUSSCGKSA-N 2 1 360.470 3.208 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842870780 730552422 /nfs/dbraw/zinc/55/24/22/730552422.db2.gz IEXAQLCOZOQBOT-WNRNVDISSA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC000842870780 730552424 /nfs/dbraw/zinc/55/24/24/730552424.db2.gz IEXAQLCOZOQBOT-WNRNVDISSA-N 2 1 353.551 3.340 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000843360342 730610483 /nfs/dbraw/zinc/61/04/83/730610483.db2.gz QTTTWWVMLOYIPB-VHRNVKJDSA-N 2 1 366.303 3.122 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccc(Br)cc1 ZINC000843360342 730610489 /nfs/dbraw/zinc/61/04/89/730610489.db2.gz QTTTWWVMLOYIPB-VHRNVKJDSA-N 2 1 366.303 3.122 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331906 730704426 /nfs/dbraw/zinc/70/44/26/730704426.db2.gz MBVGNTKYYKIWEJ-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331906 730704428 /nfs/dbraw/zinc/70/44/28/730704428.db2.gz MBVGNTKYYKIWEJ-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000844331906 730704431 /nfs/dbraw/zinc/70/44/31/730704431.db2.gz MBVGNTKYYKIWEJ-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Cl)nc3C)CC2)CC1 ZINC000847993749 731118555 /nfs/dbraw/zinc/11/85/55/731118555.db2.gz UHQGJZHEZHBIGI-UHFFFAOYSA-N 2 1 364.921 3.178 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000848534080 731176764 /nfs/dbraw/zinc/17/67/64/731176764.db2.gz PDBFJNYBCFVABK-ZBQZNYHESA-N 2 1 370.896 3.134 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)s1 ZINC000849055855 731224555 /nfs/dbraw/zinc/22/45/55/731224555.db2.gz HIEMGAHXOIPYHS-CYBMUJFWSA-N 2 1 363.556 3.278 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCOc1ccc(Cl)cc1 ZINC000849055010 731224598 /nfs/dbraw/zinc/22/45/98/731224598.db2.gz OTLVJPUXKUKPOW-MRXNPFEDSA-N 2 1 352.910 3.097 20 0 FGADMP C[C@H](NC(=[NH2+])NCCC[N@H+](C)CCN(C)C)c1ccc(Cl)cc1Cl ZINC000849079350 731226689 /nfs/dbraw/zinc/22/66/89/731226689.db2.gz JMWIPEOHIVDAED-ZDUSSCGKSA-N 2 1 374.360 3.052 20 0 FGADMP C[C@H](NC(=[NH2+])NCCC[N@@H+](C)CCN(C)C)c1ccc(Cl)cc1Cl ZINC000849079350 731226691 /nfs/dbraw/zinc/22/66/91/731226691.db2.gz JMWIPEOHIVDAED-ZDUSSCGKSA-N 2 1 374.360 3.052 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538429 731370952 /nfs/dbraw/zinc/37/09/52/731370952.db2.gz FIIJTKQVZORGKZ-RDJZCZTQSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538429 731370954 /nfs/dbraw/zinc/37/09/54/731370954.db2.gz FIIJTKQVZORGKZ-RDJZCZTQSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745976 731629549 /nfs/dbraw/zinc/62/95/49/731629549.db2.gz FYHAFPCQULJWMP-HZPDHXFCSA-N 2 1 366.937 3.159 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852890671 731642924 /nfs/dbraw/zinc/64/29/24/731642924.db2.gz UXIGSKQYFIZHLA-MJGOQNOKSA-N 2 1 365.880 3.040 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000852890671 731642925 /nfs/dbraw/zinc/64/29/25/731642925.db2.gz UXIGSKQYFIZHLA-MJGOQNOKSA-N 2 1 365.880 3.040 20 0 FGADMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(Br)cc1F ZINC000858133270 732183915 /nfs/dbraw/zinc/18/39/15/732183915.db2.gz MSMYVIXUMGCBIR-OAHLLOKOSA-N 2 1 373.310 3.223 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168191 732188373 /nfs/dbraw/zinc/18/83/73/732188373.db2.gz GSNYAGMGSNMVPA-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168190 732188456 /nfs/dbraw/zinc/18/84/56/732188456.db2.gz GSNYAGMGSNMVPA-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492102 732220272 /nfs/dbraw/zinc/22/02/72/732220272.db2.gz SZKMREOUBPMTTN-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](O)C[C@@H]1CCC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205135 732289701 /nfs/dbraw/zinc/28/97/01/732289701.db2.gz VQBMZFAYDNPYBE-MUGJNUQGSA-N 2 1 370.654 3.165 20 0 FGADMP Cc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ncc1Br ZINC000862353025 732813931 /nfs/dbraw/zinc/81/39/31/732813931.db2.gz QVLSPQZLVGHONH-UHFFFAOYSA-N 2 1 352.320 3.460 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)ncc1Br ZINC000862353025 732813934 /nfs/dbraw/zinc/81/39/34/732813934.db2.gz QVLSPQZLVGHONH-UHFFFAOYSA-N 2 1 352.320 3.460 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865819079 733275252 /nfs/dbraw/zinc/27/52/52/733275252.db2.gz BCYNYZHGTIVKPN-NXHRZFHOSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872031026 735578909 /nfs/dbraw/zinc/57/89/09/735578909.db2.gz LBUAGICSTJWKRJ-WBVHZDCISA-N 2 1 364.287 3.321 20 0 FGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157708 735596861 /nfs/dbraw/zinc/59/68/61/735596861.db2.gz PUXNJXAWCHRGSE-DFQSSKMNSA-N 2 1 350.547 3.192 20 0 FGADMP COc1nsc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Br ZINC000877497694 736672833 /nfs/dbraw/zinc/67/28/33/736672833.db2.gz XTZCOTOTMFMVKY-UHFFFAOYSA-N 2 1 374.348 3.222 20 0 FGADMP COc1nsc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Br ZINC000877497694 736672835 /nfs/dbraw/zinc/67/28/35/736672835.db2.gz XTZCOTOTMFMVKY-UHFFFAOYSA-N 2 1 374.348 3.222 20 0 FGADMP C[N@@H+](CCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000877577440 736687546 /nfs/dbraw/zinc/68/75/46/736687546.db2.gz CTNLRFWSZXIEIM-JZXOWHBKSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3cc(Cl)ccc3c(=O)[nH]1)CC2 ZINC000879249034 736972558 /nfs/dbraw/zinc/97/25/58/736972558.db2.gz CGUDLHQMHVCTRU-UHFFFAOYSA-N 2 1 360.889 3.297 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCSC(F)(F)F)CC2)CC1 ZINC000886036028 739211039 /nfs/dbraw/zinc/21/10/39/739211039.db2.gz SHJSVSYAZDVCLI-UHFFFAOYSA-N 2 1 367.525 3.368 20 0 FGADMP C[N@H+](CCSC(F)(F)F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000886036028 739211044 /nfs/dbraw/zinc/21/10/44/739211044.db2.gz SHJSVSYAZDVCLI-UHFFFAOYSA-N 3 1 367.525 3.368 20 0 FGADMP C[N@@H+](CCSC(F)(F)F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000886036028 739211049 /nfs/dbraw/zinc/21/10/49/739211049.db2.gz SHJSVSYAZDVCLI-UHFFFAOYSA-N 3 1 367.525 3.368 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000894861630 742344047 /nfs/dbraw/zinc/34/40/47/742344047.db2.gz XAGPXFOHNLGPPJ-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000895587033 742430167 /nfs/dbraw/zinc/43/01/67/742430167.db2.gz GAOXOFIVSSMSOU-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000895587033 742430170 /nfs/dbraw/zinc/43/01/70/742430170.db2.gz GAOXOFIVSSMSOU-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461443 743853152 /nfs/dbraw/zinc/85/31/52/743853152.db2.gz UHLBVQOIUZRICH-FVVUREQNSA-N 2 1 350.453 3.254 20 0 FGADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878497 743892330 /nfs/dbraw/zinc/89/23/30/743892330.db2.gz WGQQNMRPKQEWCT-CABCVRRESA-N 2 1 357.527 3.149 20 0 FGADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878497 743892335 /nfs/dbraw/zinc/89/23/35/743892335.db2.gz WGQQNMRPKQEWCT-CABCVRRESA-N 2 1 357.527 3.149 20 0 FGADMP FC(F)Oc1ccc([C@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903904452 743894980 /nfs/dbraw/zinc/89/49/80/743894980.db2.gz VOABSZIKUDFKDT-NPVYPNSJSA-N 2 1 352.425 3.192 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000919860573 758481907 /nfs/dbraw/zinc/48/19/07/758481907.db2.gz CHKQJNGNAQCFKC-QPJJXVBHSA-N 2 1 356.857 3.139 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CCCC2)CC1 ZINC000921716565 758777405 /nfs/dbraw/zinc/77/74/05/758777405.db2.gz XSCWKJJRRBLTTQ-IPMKNSEASA-N 2 1 350.547 3.205 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391098 758911648 /nfs/dbraw/zinc/91/16/48/758911648.db2.gz RZQKONQSBZDYRO-BCXHYRKLSA-N 2 1 351.560 3.010 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c1OC ZINC000923498493 759132309 /nfs/dbraw/zinc/13/23/09/759132309.db2.gz PVSXTJMVQMLPJD-KBPBESRZSA-N 2 1 361.511 3.244 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000925588309 759510328 /nfs/dbraw/zinc/51/03/28/759510328.db2.gz PLMMWFKENDQJKC-AOCRQIFASA-N 2 1 353.551 3.247 20 0 FGADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1nc2c(s1)CCCC2 ZINC000925834119 759555055 /nfs/dbraw/zinc/55/50/55/759555055.db2.gz VLKABRTXTCQZEQ-UZLBHIALSA-N 2 1 355.507 3.367 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926124616 759657338 /nfs/dbraw/zinc/65/73/38/759657338.db2.gz HSEGRRWCXMGOPZ-QFBILLFUSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3c2nccc3Cl)C1 ZINC000926124616 759657355 /nfs/dbraw/zinc/65/73/55/759657355.db2.gz HSEGRRWCXMGOPZ-QFBILLFUSA-N 2 1 357.885 3.079 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)CC1 ZINC000926332401 759718807 /nfs/dbraw/zinc/71/88/07/759718807.db2.gz XONOPNWTIMKCET-HIEASXQVSA-N 2 1 359.480 3.398 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2ccc(Br)nc2N)cc1 ZINC000930117125 760533583 /nfs/dbraw/zinc/53/35/83/760533583.db2.gz GPMSAERKDZYZSA-UHFFFAOYSA-N 2 1 363.303 3.120 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Br)nc2N)cc1 ZINC000930117125 760533585 /nfs/dbraw/zinc/53/35/85/760533585.db2.gz GPMSAERKDZYZSA-UHFFFAOYSA-N 2 1 363.303 3.120 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC000968728104 762841846 /nfs/dbraw/zinc/84/18/46/762841846.db2.gz DOLRWIGPZZLAJZ-DAXOMENPSA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[NH+]2CCC(F)(F)F)CC[N@H+]1C ZINC000968867165 762844340 /nfs/dbraw/zinc/84/43/40/762844340.db2.gz SRDFRMSURKBWBI-HRCADAONSA-N 2 1 363.468 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(F)(F)F)CC[NH+]1C ZINC000968867165 762844347 /nfs/dbraw/zinc/84/43/47/762844347.db2.gz SRDFRMSURKBWBI-HRCADAONSA-N 2 1 363.468 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CCC(F)(F)F)CC[NH+]1C ZINC000968867165 762844357 /nfs/dbraw/zinc/84/43/57/762844357.db2.gz SRDFRMSURKBWBI-HRCADAONSA-N 2 1 363.468 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000969691679 762861097 /nfs/dbraw/zinc/86/10/97/762861097.db2.gz WSQJLVJNORNKPI-UHOFOFEASA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000969691679 762861104 /nfs/dbraw/zinc/86/11/04/762861104.db2.gz WSQJLVJNORNKPI-UHOFOFEASA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000998794232 765124247 /nfs/dbraw/zinc/12/42/47/765124247.db2.gz OKWJWLJNUVGKPF-WZOJCFFYSA-N 2 1 363.933 3.149 20 0 FGADMP Cc1cccc(Cl)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189045 765144640 /nfs/dbraw/zinc/14/46/40/765144640.db2.gz GSTRTGQDXWHCQB-BRWVUGGUSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@H](C)c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001020174608 765867058 /nfs/dbraw/zinc/86/70/58/765867058.db2.gz JBSMYDPIRBHVRG-QSGLGXSPSA-N 2 1 363.933 3.368 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001022105294 765974082 /nfs/dbraw/zinc/97/40/82/765974082.db2.gz YNMGUDORHUDRDU-OJKRMQCYSA-N 2 1 367.896 3.117 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001027418671 766093048 /nfs/dbraw/zinc/09/30/48/766093048.db2.gz GVICIMWCJCEWFQ-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001027418671 766093051 /nfs/dbraw/zinc/09/30/51/766093051.db2.gz GVICIMWCJCEWFQ-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001027418671 766093059 /nfs/dbraw/zinc/09/30/59/766093059.db2.gz GVICIMWCJCEWFQ-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001028551114 766123126 /nfs/dbraw/zinc/12/31/26/766123126.db2.gz HNNYTKBJLAWLFI-VNQPRFMTSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001028551114 766123134 /nfs/dbraw/zinc/12/31/34/766123134.db2.gz HNNYTKBJLAWLFI-VNQPRFMTSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001028551114 766123138 /nfs/dbraw/zinc/12/31/38/766123138.db2.gz HNNYTKBJLAWLFI-VNQPRFMTSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001033096408 766205813 /nfs/dbraw/zinc/20/58/13/766205813.db2.gz LZCSBUVSANCKIB-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001033096408 766205819 /nfs/dbraw/zinc/20/58/19/766205819.db2.gz LZCSBUVSANCKIB-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001033096408 766205824 /nfs/dbraw/zinc/20/58/24/766205824.db2.gz LZCSBUVSANCKIB-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001033096408 766205831 /nfs/dbraw/zinc/20/58/31/766205831.db2.gz LZCSBUVSANCKIB-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021877 724381564 /nfs/dbraw/zinc/38/15/64/724381564.db2.gz ZKKXFNJUXXKEDG-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000037117284 257338142 /nfs/dbraw/zinc/33/81/42/257338142.db2.gz HWZCYLIIUFDVGN-UHFFFAOYSA-N 2 1 355.276 3.140 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565917 257374650 /nfs/dbraw/zinc/37/46/50/257374650.db2.gz IUSSTQNWTAPHLS-XZOQPEGZSA-N 2 1 371.569 3.228 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161347 503694335 /nfs/dbraw/zinc/69/43/35/503694335.db2.gz SQIOAZUVPPABDG-YPAWHYETSA-N 2 1 370.537 3.356 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000567940455 505579983 /nfs/dbraw/zinc/57/99/83/505579983.db2.gz YHKYQCHLCCTIDX-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000567940455 505579988 /nfs/dbraw/zinc/57/99/88/505579988.db2.gz YHKYQCHLCCTIDX-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000567940455 505579991 /nfs/dbraw/zinc/57/99/91/505579991.db2.gz YHKYQCHLCCTIDX-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP COC(=O)CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cccc(F)c1F ZINC000568050722 505604067 /nfs/dbraw/zinc/60/40/67/505604067.db2.gz CDZWFPYQDPBDBE-UHFFFAOYSA-N 2 1 374.431 3.176 20 0 FGADMP COC(=O)CC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cccc(F)c1F ZINC000568050722 505604072 /nfs/dbraw/zinc/60/40/72/505604072.db2.gz CDZWFPYQDPBDBE-UHFFFAOYSA-N 2 1 374.431 3.176 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836315 505629816 /nfs/dbraw/zinc/62/98/16/505629816.db2.gz GCNYOUIIYGKHGW-SFTDATJTSA-N 2 1 362.521 3.429 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836315 505629817 /nfs/dbraw/zinc/62/98/17/505629817.db2.gz GCNYOUIIYGKHGW-SFTDATJTSA-N 2 1 362.521 3.429 20 0 FGADMP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000568199056 505641750 /nfs/dbraw/zinc/64/17/50/505641750.db2.gz OWXQEBIIBBFLDA-LJQANCHMSA-N 2 1 369.484 3.026 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc12 ZINC000577098317 505663728 /nfs/dbraw/zinc/66/37/28/505663728.db2.gz VWAAVTZEBILILC-AWEZNQCLSA-N 2 1 365.481 3.284 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571210766 505679972 /nfs/dbraw/zinc/67/99/72/505679972.db2.gz WICCBRXSQQDTDJ-PGRDOPGGSA-N 2 1 370.541 3.095 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000057618010 493779224 /nfs/dbraw/zinc/77/92/24/493779224.db2.gz LJBKRYLMLUPCKM-ICSRJNTNSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000057618010 493779228 /nfs/dbraw/zinc/77/92/28/493779228.db2.gz LJBKRYLMLUPCKM-ICSRJNTNSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000057618010 493779231 /nfs/dbraw/zinc/77/92/31/493779231.db2.gz LJBKRYLMLUPCKM-ICSRJNTNSA-N 2 1 372.557 3.338 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382265 505681165 /nfs/dbraw/zinc/68/11/65/505681165.db2.gz VNNWPGASPNRLPN-DOTOQJQBSA-N 2 1 374.447 3.013 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)c2cc1C ZINC000568384032 505681434 /nfs/dbraw/zinc/68/14/34/505681434.db2.gz SQSSIVWUASSDPV-WOJBJXKFSA-N 2 1 372.557 3.258 20 0 FGADMP C[N@@H+](CCc1cccs1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000075965423 493801760 /nfs/dbraw/zinc/80/17/60/493801760.db2.gz FCXBDCBARKMQLO-UHFFFAOYSA-N 2 1 371.550 3.135 20 0 FGADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120279 493826651 /nfs/dbraw/zinc/82/66/51/493826651.db2.gz QGGSXBVKOQDNIK-APWZRJJASA-N 2 1 361.530 3.350 20 0 FGADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120279 493826653 /nfs/dbraw/zinc/82/66/53/493826653.db2.gz QGGSXBVKOQDNIK-APWZRJJASA-N 2 1 361.530 3.350 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000068636283 493849088 /nfs/dbraw/zinc/84/90/88/493849088.db2.gz MVEQRNTYWLNQCU-KDURUIRLSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000068636283 493849094 /nfs/dbraw/zinc/84/90/94/493849094.db2.gz MVEQRNTYWLNQCU-KDURUIRLSA-N 2 1 372.557 3.060 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330837 493866731 /nfs/dbraw/zinc/86/67/31/493866731.db2.gz GUVYRWAFCYXHOR-OAHLLOKOSA-N 2 1 370.900 3.359 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000081578835 493922043 /nfs/dbraw/zinc/92/20/43/493922043.db2.gz RDRDCKHSWVFWID-AWEZNQCLSA-N 2 1 355.885 3.471 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000081578835 493922046 /nfs/dbraw/zinc/92/20/46/493922046.db2.gz RDRDCKHSWVFWID-AWEZNQCLSA-N 2 1 355.885 3.471 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000081578835 493922049 /nfs/dbraw/zinc/92/20/49/493922049.db2.gz RDRDCKHSWVFWID-AWEZNQCLSA-N 2 1 355.885 3.471 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081636275 493935659 /nfs/dbraw/zinc/93/56/59/493935659.db2.gz ODOADADAECMSIE-QGZVFWFLSA-N 2 1 361.555 3.401 20 0 FGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081636275 493935663 /nfs/dbraw/zinc/93/56/63/493935663.db2.gz ODOADADAECMSIE-QGZVFWFLSA-N 2 1 361.555 3.401 20 0 FGADMP CSc1ccccc1NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081636275 493935666 /nfs/dbraw/zinc/93/56/66/493935666.db2.gz ODOADADAECMSIE-QGZVFWFLSA-N 2 1 361.555 3.401 20 0 FGADMP Cc1cccn2cc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)nc12 ZINC000076895277 493985777 /nfs/dbraw/zinc/98/57/77/493985777.db2.gz NPJJWJDIYNIYHY-UHFFFAOYSA-N 2 1 364.493 3.407 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)c1ccccc1 ZINC000062357876 494009811 /nfs/dbraw/zinc/00/98/11/494009811.db2.gz KQVFRTJVIPGQFS-RTBURBONSA-N 2 1 359.901 3.362 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000052298640 494017153 /nfs/dbraw/zinc/01/71/53/494017153.db2.gz FZLQIQAMECGJGV-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP Cc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077215891 494034588 /nfs/dbraw/zinc/03/45/88/494034588.db2.gz DZVQJAJTQUAZHU-AWEZNQCLSA-N 2 1 364.440 3.192 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@@H]2CCO)c1 ZINC000070950229 494073352 /nfs/dbraw/zinc/07/33/52/494073352.db2.gz PPAOJKKCWQTSON-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085366750 494117691 /nfs/dbraw/zinc/11/76/91/494117691.db2.gz AIWXBHIFGAKDPI-OALUTQOASA-N 2 1 374.573 3.269 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000065469568 494201431 /nfs/dbraw/zinc/20/14/31/494201431.db2.gz VKIDVHYLXBTBRM-GGPKGHCWSA-N 2 1 360.546 3.017 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000054509878 494241991 /nfs/dbraw/zinc/24/19/91/494241991.db2.gz GSAKMSOBBZESMB-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000568506532 505711720 /nfs/dbraw/zinc/71/17/20/505711720.db2.gz ZIHLDMOIJLGHTD-NRFANRHFSA-N 2 1 351.494 3.030 20 0 FGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594609 494327927 /nfs/dbraw/zinc/32/79/27/494327927.db2.gz NGFYRAZZKMUNHE-IBGZPJMESA-N 2 1 373.541 3.337 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000078668767 494340272 /nfs/dbraw/zinc/34/02/72/494340272.db2.gz CLMDUBADRQMJOZ-GOSISDBHSA-N 2 1 360.546 3.200 20 0 FGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000577372467 505715257 /nfs/dbraw/zinc/71/52/57/505715257.db2.gz YAGZZMCWOBLRPR-KRWDZBQOSA-N 2 1 360.420 3.473 20 0 FGADMP CC[C@@H](c1ccccc1)[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000066568431 494357081 /nfs/dbraw/zinc/35/70/81/494357081.db2.gz RUKXYSIHQADASR-NRFANRHFSA-N 2 1 357.542 3.404 20 0 FGADMP COCC[NH+]1CCC([NH2+]CCc2nc(-c3ccccc3)c(C)s2)CC1 ZINC000090399938 494462359 /nfs/dbraw/zinc/46/23/59/494462359.db2.gz NUKRHUGWDITGSJ-UHFFFAOYSA-N 2 1 359.539 3.361 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568575479 505725609 /nfs/dbraw/zinc/72/56/09/505725609.db2.gz CFMSXOYAEQZLFR-DENIHFKCSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568575479 505725612 /nfs/dbraw/zinc/72/56/12/505725612.db2.gz CFMSXOYAEQZLFR-DENIHFKCSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568575479 505725615 /nfs/dbraw/zinc/72/56/15/505725615.db2.gz CFMSXOYAEQZLFR-DENIHFKCSA-N 2 1 372.557 3.023 20 0 FGADMP CC(CN(C)C1CC[NH+](C(C)C)CC1)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000074353332 494523565 /nfs/dbraw/zinc/52/35/65/494523565.db2.gz ZFPRSLVNRIKNCD-UHFFFAOYSA-N 3 1 366.638 3.232 20 0 FGADMP CC[N@H+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC000131352129 494590733 /nfs/dbraw/zinc/59/07/33/494590733.db2.gz JSIQXTVWQZEHFU-RBUKOAKNSA-N 2 1 353.938 3.032 20 0 FGADMP CC[N@@H+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC000131352129 494590736 /nfs/dbraw/zinc/59/07/36/494590736.db2.gz JSIQXTVWQZEHFU-RBUKOAKNSA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000131352129 494590746 /nfs/dbraw/zinc/59/07/46/494590746.db2.gz JSIQXTVWQZEHFU-RBUKOAKNSA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000131352129 494590749 /nfs/dbraw/zinc/59/07/49/494590749.db2.gz JSIQXTVWQZEHFU-RBUKOAKNSA-N 2 1 353.938 3.032 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000080164839 494620037 /nfs/dbraw/zinc/62/00/37/494620037.db2.gz PCWKGWVPBMTWJP-FPOVZHCZSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000092594523 494682086 /nfs/dbraw/zinc/68/20/86/494682086.db2.gz YNDAWOKUGVZXBY-HXUWFJFHSA-N 2 1 371.550 3.464 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000092594523 494682092 /nfs/dbraw/zinc/68/20/92/494682092.db2.gz YNDAWOKUGVZXBY-HXUWFJFHSA-N 2 1 371.550 3.464 20 0 FGADMP CCc1nn(C)c(CC)c1C[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092645120 494693381 /nfs/dbraw/zinc/69/33/81/494693381.db2.gz GTPACRQUSGBKRA-UHFFFAOYSA-N 2 1 370.545 3.053 20 0 FGADMP CCc1nn(C)c(CC)c1C[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000092645120 494693386 /nfs/dbraw/zinc/69/33/86/494693386.db2.gz GTPACRQUSGBKRA-UHFFFAOYSA-N 2 1 370.545 3.053 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000126299798 494700540 /nfs/dbraw/zinc/70/05/40/494700540.db2.gz HOHXADLIUFSUQS-LJQANCHMSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000126303009 494701931 /nfs/dbraw/zinc/70/19/31/494701931.db2.gz HIIZWMZMMUYSSY-UHFFFAOYSA-N 2 1 366.509 3.273 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091892680 494716928 /nfs/dbraw/zinc/71/69/28/494716928.db2.gz MEBXHYCYMUXYHT-YADHBBJMSA-N 2 1 370.585 3.276 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091892680 494716933 /nfs/dbraw/zinc/71/69/33/494716933.db2.gz MEBXHYCYMUXYHT-YADHBBJMSA-N 2 1 370.585 3.276 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091892680 494716938 /nfs/dbraw/zinc/71/69/38/494716938.db2.gz MEBXHYCYMUXYHT-YADHBBJMSA-N 2 1 370.585 3.276 20 0 FGADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820990 494762881 /nfs/dbraw/zinc/76/28/81/494762881.db2.gz NEYZCIAMJAIPOH-QGZVFWFLSA-N 2 1 360.546 3.313 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116422219 494782587 /nfs/dbraw/zinc/78/25/87/494782587.db2.gz GKQDXGJBNNMIHC-MSOLQXFVSA-N 2 1 354.583 3.307 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000131956729 494785034 /nfs/dbraw/zinc/78/50/34/494785034.db2.gz YKFIXURDBOHBKK-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000116435246 494786437 /nfs/dbraw/zinc/78/64/37/494786437.db2.gz YPEROQFKBUDAAO-LJQANCHMSA-N 2 1 361.555 3.357 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000116566446 494817828 /nfs/dbraw/zinc/81/78/28/494817828.db2.gz QRNSCYZFTOJYIY-MOPGFXCFSA-N 2 1 360.546 3.051 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000116566446 494817836 /nfs/dbraw/zinc/81/78/36/494817836.db2.gz QRNSCYZFTOJYIY-MOPGFXCFSA-N 2 1 360.546 3.051 20 0 FGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253627 494822321 /nfs/dbraw/zinc/82/23/21/494822321.db2.gz AQCRWIAGKPWCLR-OAHLLOKOSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253627 494822324 /nfs/dbraw/zinc/82/23/24/494822324.db2.gz AQCRWIAGKPWCLR-OAHLLOKOSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253627 494822331 /nfs/dbraw/zinc/82/23/31/494822331.db2.gz AQCRWIAGKPWCLR-OAHLLOKOSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253627 494822336 /nfs/dbraw/zinc/82/23/36/494822336.db2.gz AQCRWIAGKPWCLR-OAHLLOKOSA-N 2 1 360.420 3.410 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC)c4ccccc34)C2)CC1 ZINC000093133380 494829736 /nfs/dbraw/zinc/82/97/36/494829736.db2.gz OJYGPGXUBXUPQW-LJQANCHMSA-N 2 1 353.510 3.060 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)cc1 ZINC000121735503 494848279 /nfs/dbraw/zinc/84/82/79/494848279.db2.gz QGMBNGCZXRDGAB-UHFFFAOYSA-N 2 1 363.549 3.341 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)c3ccccc3)CC2)CC1 ZINC000116879207 494866448 /nfs/dbraw/zinc/86/64/48/494866448.db2.gz DSUVDVDAFLRFCI-LJQANCHMSA-N 2 1 357.542 3.056 20 0 FGADMP COc1ccc([C@H]2C[C@@H](C)C[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000121862500 494877365 /nfs/dbraw/zinc/87/73/65/494877365.db2.gz COOWSOXVQGEHNZ-DYESRHJHSA-N 2 1 373.541 3.067 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127278345 494921367 /nfs/dbraw/zinc/92/13/67/494921367.db2.gz TXKCOYHQEOPCTM-JENIJYKNSA-N 2 1 374.548 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000127278345 494921371 /nfs/dbraw/zinc/92/13/71/494921371.db2.gz TXKCOYHQEOPCTM-JENIJYKNSA-N 3 1 374.548 3.243 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000122604689 495002389 /nfs/dbraw/zinc/00/23/89/495002389.db2.gz VSXAKJSMKGCLNO-QYZOEREBSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccc(F)c(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000574365917 505755563 /nfs/dbraw/zinc/75/55/63/505755563.db2.gz KQRKDJRNMKNLQU-HDICACEKSA-N 2 1 364.505 3.224 20 0 FGADMP Cc1ccc(F)c(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000574365917 505755565 /nfs/dbraw/zinc/75/55/65/505755565.db2.gz KQRKDJRNMKNLQU-HDICACEKSA-N 2 1 364.505 3.224 20 0 FGADMP Cc1ccc(F)c(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000574365918 505756038 /nfs/dbraw/zinc/75/60/38/505756038.db2.gz KQRKDJRNMKNLQU-QZTJIDSGSA-N 2 1 364.505 3.224 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000118775430 495034191 /nfs/dbraw/zinc/03/41/91/495034191.db2.gz DHQACOTYDGGOBM-UHFFFAOYSA-N 2 1 368.525 3.486 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231090 495051085 /nfs/dbraw/zinc/05/10/85/495051085.db2.gz DAQCYBCKODUSNJ-AEFFLSMTSA-N 2 1 367.484 3.451 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231090 495051088 /nfs/dbraw/zinc/05/10/88/495051088.db2.gz DAQCYBCKODUSNJ-AEFFLSMTSA-N 2 1 367.484 3.451 20 0 FGADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000098144817 495061948 /nfs/dbraw/zinc/06/19/48/495061948.db2.gz UWAFUFBYDWVIGR-WMZOPIPTSA-N 2 1 367.331 3.119 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548389 505759471 /nfs/dbraw/zinc/75/94/71/505759471.db2.gz SLNHWFCTMJYFJS-RTBURBONSA-N 2 1 355.482 3.101 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548389 505759473 /nfs/dbraw/zinc/75/94/73/505759473.db2.gz SLNHWFCTMJYFJS-RTBURBONSA-N 2 1 355.482 3.101 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000111444217 495075711 /nfs/dbraw/zinc/07/57/11/495075711.db2.gz DLYGDUQBXLDPKC-GOSISDBHSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1Br ZINC000128310162 495077428 /nfs/dbraw/zinc/07/74/28/495077428.db2.gz GVVDWLJPAYHHAP-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128353093 495084291 /nfs/dbraw/zinc/08/42/91/495084291.db2.gz UOAZEHUSGBNUNI-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP c1[nH+]cn2ccc(-c3noc([C@H]4CCC[N@H+](Cc5cccnc5)C4)n3)cc12 ZINC000574394051 505762834 /nfs/dbraw/zinc/76/28/34/505762834.db2.gz LPTJMVMESVOWJC-KRWDZBQOSA-N 2 1 360.421 3.159 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000128889867 495164647 /nfs/dbraw/zinc/16/46/47/495164647.db2.gz RONMTMMJEGXIPM-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1 ZINC000128889867 495164649 /nfs/dbraw/zinc/16/46/49/495164649.db2.gz RONMTMMJEGXIPM-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN1Cc1ccccc1 ZINC000119551408 495189321 /nfs/dbraw/zinc/18/93/21/495189321.db2.gz PNSYHDIKQAWAEG-IFMALSPDSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccccc1Cl ZINC000112542261 495203224 /nfs/dbraw/zinc/20/32/24/495203224.db2.gz VAPOAKHPKSMIOS-HNNXBMFYSA-N 2 1 359.901 3.482 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545869 495204067 /nfs/dbraw/zinc/20/40/67/495204067.db2.gz UVTRNGCKCLXNOJ-JXFKEZNVSA-N 2 1 369.484 3.374 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000103303376 495215797 /nfs/dbraw/zinc/21/57/97/495215797.db2.gz XQTAHFVEBAABGE-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP O=C(CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894875 495217301 /nfs/dbraw/zinc/21/73/01/495217301.db2.gz IOVNDHKGRSWNIZ-KUHUBIRLSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894875 495217315 /nfs/dbraw/zinc/21/73/15/495217315.db2.gz IOVNDHKGRSWNIZ-KUHUBIRLSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894875 495217319 /nfs/dbraw/zinc/21/73/19/495217319.db2.gz IOVNDHKGRSWNIZ-KUHUBIRLSA-N 2 1 363.452 3.242 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)[C@H](C)C1 ZINC000119789741 495241938 /nfs/dbraw/zinc/24/19/38/495241938.db2.gz YALGRVYFCRVYEK-UXPWSPDFSA-N 2 1 365.949 3.033 20 0 FGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124511313 495299731 /nfs/dbraw/zinc/29/97/31/495299731.db2.gz ZQDHCYLSDOFZKP-HNNXBMFYSA-N 2 1 353.938 3.273 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000120088603 495304358 /nfs/dbraw/zinc/30/43/58/495304358.db2.gz VHFFAOAHLHCCQN-UHFFFAOYSA-N 2 1 371.481 3.140 20 0 FGADMP CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124718558 495332765 /nfs/dbraw/zinc/33/27/65/495332765.db2.gz HOFIBEICRORXTJ-RBBKRZOGSA-N 2 1 371.569 3.367 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000113997725 495342128 /nfs/dbraw/zinc/34/21/28/495342128.db2.gz GYSRJCMPMRLYIK-HXUWFJFHSA-N 2 1 359.558 3.075 20 0 FGADMP CCC[C@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000105242326 495347858 /nfs/dbraw/zinc/34/78/58/495347858.db2.gz FEKBNHXYOXAICP-FQEVSTJZSA-N 2 1 366.594 3.403 20 0 FGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000120602085 495415725 /nfs/dbraw/zinc/41/57/25/495415725.db2.gz BHBUFIDDSIRDSM-INIZCTEOSA-N 2 1 372.532 3.404 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000125328476 495427371 /nfs/dbraw/zinc/42/73/71/495427371.db2.gz KBGVYCRPIOJRKW-QZNHQXDQSA-N 3 1 372.601 3.216 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)c1 ZINC000125328476 495427373 /nfs/dbraw/zinc/42/73/73/495427373.db2.gz KBGVYCRPIOJRKW-QZNHQXDQSA-N 2 1 372.601 3.216 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000125462637 495448143 /nfs/dbraw/zinc/44/81/43/495448143.db2.gz LDQJFJXGRKLUQK-SFHVURJKSA-N 2 1 356.518 3.169 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000125462637 495448145 /nfs/dbraw/zinc/44/81/45/495448145.db2.gz LDQJFJXGRKLUQK-SFHVURJKSA-N 2 1 356.518 3.169 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807786 495448330 /nfs/dbraw/zinc/44/83/30/495448330.db2.gz UUFAIBCCHJKLLU-QMMLZNLJSA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807786 495448332 /nfs/dbraw/zinc/44/83/32/495448332.db2.gz UUFAIBCCHJKLLU-QMMLZNLJSA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807575 495448800 /nfs/dbraw/zinc/44/88/00/495448800.db2.gz UUFAIBCCHJKLLU-DUXKGJEZSA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807575 495448803 /nfs/dbraw/zinc/44/88/03/495448803.db2.gz UUFAIBCCHJKLLU-DUXKGJEZSA-N 2 1 357.542 3.244 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000125501266 495454226 /nfs/dbraw/zinc/45/42/26/495454226.db2.gz QIGPEWIXZHLHHZ-SFHVURJKSA-N 2 1 361.493 3.318 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000125501266 495454230 /nfs/dbraw/zinc/45/42/30/495454230.db2.gz QIGPEWIXZHLHHZ-SFHVURJKSA-N 2 1 361.493 3.318 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513846 495460195 /nfs/dbraw/zinc/46/01/95/495460195.db2.gz ZUBJBAJQAGEWLB-FPOVZHCZSA-N 2 1 370.541 3.140 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000130880468 495460839 /nfs/dbraw/zinc/46/08/39/495460839.db2.gz FGBVLTZPOCIWOJ-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000125551881 495461209 /nfs/dbraw/zinc/46/12/09/495461209.db2.gz AASBVLFWDSJWJD-CQSZACIVSA-N 2 1 365.399 3.412 20 0 FGADMP COCCOc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000130894533 495462226 /nfs/dbraw/zinc/46/22/26/495462226.db2.gz BWTHEPQXORHGJM-SFHVURJKSA-N 2 1 350.503 3.027 20 0 FGADMP COCCOc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1OC ZINC000130894533 495462232 /nfs/dbraw/zinc/46/22/32/495462232.db2.gz BWTHEPQXORHGJM-SFHVURJKSA-N 2 1 350.503 3.027 20 0 FGADMP COCCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000130894533 495462233 /nfs/dbraw/zinc/46/22/33/495462233.db2.gz BWTHEPQXORHGJM-SFHVURJKSA-N 2 1 350.503 3.027 20 0 FGADMP COCCOc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000130894533 495462237 /nfs/dbraw/zinc/46/22/37/495462237.db2.gz BWTHEPQXORHGJM-SFHVURJKSA-N 2 1 350.503 3.027 20 0 FGADMP C[C@@H]1CCC[N@@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000125560234 495462956 /nfs/dbraw/zinc/46/29/56/495462956.db2.gz BEWIBYDWXQGSPL-UTKZUKDTSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000125560234 495462960 /nfs/dbraw/zinc/46/29/60/495462960.db2.gz BEWIBYDWXQGSPL-UTKZUKDTSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000125560234 495462963 /nfs/dbraw/zinc/46/29/63/495462963.db2.gz BEWIBYDWXQGSPL-UTKZUKDTSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000125560234 495462968 /nfs/dbraw/zinc/46/29/68/495462968.db2.gz BEWIBYDWXQGSPL-UTKZUKDTSA-N 2 1 373.516 3.265 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)c1 ZINC000140557406 495497386 /nfs/dbraw/zinc/49/73/86/495497386.db2.gz XKLSQLMGVYXMBO-ZWKOTPCHSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000140557406 495497391 /nfs/dbraw/zinc/49/73/91/495497391.db2.gz XKLSQLMGVYXMBO-ZWKOTPCHSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000140557406 495497395 /nfs/dbraw/zinc/49/73/95/495497395.db2.gz XKLSQLMGVYXMBO-ZWKOTPCHSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc4ccccc4c3)C2)CC1 ZINC000107371920 495526128 /nfs/dbraw/zinc/52/61/28/495526128.db2.gz PVMBEHORGCSCLE-JOCHJYFZSA-N 2 1 367.537 3.321 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182386858 495542902 /nfs/dbraw/zinc/54/29/02/495542902.db2.gz MYJLECYPVWXJJG-MSOLQXFVSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000170643296 495543631 /nfs/dbraw/zinc/54/36/31/495543631.db2.gz MACAQTOODWDDHG-MRXNPFEDSA-N 2 1 373.566 3.437 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000144994390 495549925 /nfs/dbraw/zinc/54/99/25/495549925.db2.gz MREBMOPBGDULBG-NRFANRHFSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000144994390 495549928 /nfs/dbraw/zinc/54/99/28/495549928.db2.gz MREBMOPBGDULBG-NRFANRHFSA-N 2 1 353.510 3.446 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cc2ccccc2o1 ZINC000158762896 495583477 /nfs/dbraw/zinc/58/34/77/495583477.db2.gz BXKGZGGPLCMCHF-RNIPGJKVSA-N 2 1 369.509 3.415 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000173561419 495589166 /nfs/dbraw/zinc/58/91/66/495589166.db2.gz SAIYCMKDUDJYGW-ICSRJNTNSA-N 2 1 373.566 3.438 20 0 FGADMP Cc1ccncc1CCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000580602712 505794456 /nfs/dbraw/zinc/79/44/56/505794456.db2.gz MVAMENLNSCQIRO-IBGZPJMESA-N 2 1 353.510 3.333 20 0 FGADMP Cc1ccncc1CCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000580602712 505794460 /nfs/dbraw/zinc/79/44/60/505794460.db2.gz MVAMENLNSCQIRO-IBGZPJMESA-N 2 1 353.510 3.333 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182671738 495658457 /nfs/dbraw/zinc/65/84/57/495658457.db2.gz OHWYUTZGUNOYDG-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669398 495670887 /nfs/dbraw/zinc/67/08/87/495670887.db2.gz RVJCXIGNFOXPOK-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669398 495670889 /nfs/dbraw/zinc/67/08/89/495670889.db2.gz RVJCXIGNFOXPOK-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000159168081 495673777 /nfs/dbraw/zinc/67/37/77/495673777.db2.gz INPMOQRTFKZCEW-AEFFLSMTSA-N 2 1 366.575 3.113 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159210227 495683891 /nfs/dbraw/zinc/68/38/91/495683891.db2.gz XTXGMKOZSAVOCA-YPAWHYETSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159210227 495683899 /nfs/dbraw/zinc/68/38/99/495683899.db2.gz XTXGMKOZSAVOCA-YPAWHYETSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159210227 495683904 /nfs/dbraw/zinc/68/39/04/495683904.db2.gz XTXGMKOZSAVOCA-YPAWHYETSA-N 2 1 360.542 3.006 20 0 FGADMP CCCN(C(=O)NC1CC[NH+](C)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000171003262 495684101 /nfs/dbraw/zinc/68/41/01/495684101.db2.gz GEVQVXXZGJXEGX-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000159213522 495684832 /nfs/dbraw/zinc/68/48/32/495684832.db2.gz YAFRMXCTKNCZCA-KRWDZBQOSA-N 2 1 360.527 3.111 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000159213522 495684837 /nfs/dbraw/zinc/68/48/37/495684837.db2.gz YAFRMXCTKNCZCA-KRWDZBQOSA-N 2 1 360.527 3.111 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000176570429 495703223 /nfs/dbraw/zinc/70/32/23/495703223.db2.gz BZYONADYDYPCTC-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000176570429 495703225 /nfs/dbraw/zinc/70/32/25/495703225.db2.gz BZYONADYDYPCTC-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000176570429 495703230 /nfs/dbraw/zinc/70/32/30/495703230.db2.gz BZYONADYDYPCTC-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738866 495704935 /nfs/dbraw/zinc/70/49/35/495704935.db2.gz QSSDGJXMXBMKHR-RYRKJORJSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738866 495704942 /nfs/dbraw/zinc/70/49/42/495704942.db2.gz QSSDGJXMXBMKHR-RYRKJORJSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCc2ccccc21 ZINC000185746646 495708006 /nfs/dbraw/zinc/70/80/06/495708006.db2.gz GMKRFGUIAPQKGV-JENIJYKNSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCc2ccccc21 ZINC000185746646 495708015 /nfs/dbraw/zinc/70/80/15/495708015.db2.gz GMKRFGUIAPQKGV-JENIJYKNSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817797 495714845 /nfs/dbraw/zinc/71/48/45/495714845.db2.gz BTIRCVOJKWGJPO-GDBMZVCRSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817797 495714849 /nfs/dbraw/zinc/71/48/49/495714849.db2.gz BTIRCVOJKWGJPO-GDBMZVCRSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817797 495714851 /nfs/dbraw/zinc/71/48/51/495714851.db2.gz BTIRCVOJKWGJPO-GDBMZVCRSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817797 495714856 /nfs/dbraw/zinc/71/48/56/495714856.db2.gz BTIRCVOJKWGJPO-GDBMZVCRSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961676 495765121 /nfs/dbraw/zinc/76/51/21/495765121.db2.gz BHSXZCYXNDMCIJ-KRWDZBQOSA-N 2 1 370.497 3.374 20 0 FGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962218 495776817 /nfs/dbraw/zinc/77/68/17/495776817.db2.gz VBBPVPWFSVSGAE-MOPGFXCFSA-N 2 1 374.573 3.096 20 0 FGADMP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171274260 495800364 /nfs/dbraw/zinc/80/03/64/495800364.db2.gz ZZNZRWVUJLGNJP-OTWHNJEPSA-N 2 1 357.542 3.276 20 0 FGADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000155117441 495842855 /nfs/dbraw/zinc/84/28/55/495842855.db2.gz SPEPYVMIKCFLEO-GIVPXCGWSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000155117441 495842862 /nfs/dbraw/zinc/84/28/62/495842862.db2.gz SPEPYVMIKCFLEO-GIVPXCGWSA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000155117441 495842867 /nfs/dbraw/zinc/84/28/67/495842867.db2.gz SPEPYVMIKCFLEO-GIVPXCGWSA-N 2 1 373.516 3.123 20 0 FGADMP C[NH+]1CCC[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)CC[C@@H]21 ZINC000155117441 495842871 /nfs/dbraw/zinc/84/28/71/495842871.db2.gz SPEPYVMIKCFLEO-GIVPXCGWSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[NH+](C)CC2)c1 ZINC000171533876 495917746 /nfs/dbraw/zinc/91/77/46/495917746.db2.gz KNEAZIRILTYCRV-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[N@H+](C)CC2)c1 ZINC000171533876 495917753 /nfs/dbraw/zinc/91/77/53/495917753.db2.gz KNEAZIRILTYCRV-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000171533876 495917758 /nfs/dbraw/zinc/91/77/58/495917758.db2.gz KNEAZIRILTYCRV-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(OC(F)F)cc1C ZINC000174354475 495923352 /nfs/dbraw/zinc/92/33/52/495923352.db2.gz XEOWWHFFPIKSOM-UHFFFAOYSA-N 2 1 355.473 3.022 20 0 FGADMP CC[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568937010 505812553 /nfs/dbraw/zinc/81/25/53/505812553.db2.gz POWRCPNSWVKBTC-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)[NH+](C)C)cc1 ZINC000174383664 495934461 /nfs/dbraw/zinc/93/44/61/495934461.db2.gz XMMJCZKGNYRMIF-HKBOAZHASA-N 2 1 372.557 3.254 20 0 FGADMP CN(CCC[N@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F)CC[NH+](C)C ZINC000577895351 505813770 /nfs/dbraw/zinc/81/37/70/505813770.db2.gz FHGYRCIVZCXGDU-UHFFFAOYSA-N 2 1 367.406 3.299 20 0 FGADMP CN(CCC[N@@H+](C)Cc1cc(F)c(C(F)(F)F)cc1F)CC[NH+](C)C ZINC000577895351 505813774 /nfs/dbraw/zinc/81/37/74/505813774.db2.gz FHGYRCIVZCXGDU-UHFFFAOYSA-N 2 1 367.406 3.299 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)c1 ZINC000174449011 495964659 /nfs/dbraw/zinc/96/46/59/495964659.db2.gz RMSDKMPRIWNXIU-RTWAWAEBSA-N 2 1 372.557 3.295 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000174449011 495964664 /nfs/dbraw/zinc/96/46/64/495964664.db2.gz RMSDKMPRIWNXIU-RTWAWAEBSA-N 2 1 372.557 3.295 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)c1 ZINC000174449011 495964668 /nfs/dbraw/zinc/96/46/68/495964668.db2.gz RMSDKMPRIWNXIU-RTWAWAEBSA-N 2 1 372.557 3.295 20 0 FGADMP CC(C)c1nc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cs1 ZINC000186410465 495986765 /nfs/dbraw/zinc/98/67/65/495986765.db2.gz BOFBKRJPTNRJAE-OAHLLOKOSA-N 2 1 374.554 3.409 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000151901415 495987566 /nfs/dbraw/zinc/98/75/66/495987566.db2.gz ISGQSWQQOZNNBI-LAUBAEHRSA-N 2 1 356.489 3.250 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cn1C ZINC000577918815 505817477 /nfs/dbraw/zinc/81/74/77/505817477.db2.gz GKYMADFHFZSIOJ-HXUWFJFHSA-N 2 1 369.509 3.202 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1C ZINC000577918815 505817481 /nfs/dbraw/zinc/81/74/81/505817481.db2.gz GKYMADFHFZSIOJ-HXUWFJFHSA-N 2 1 369.509 3.202 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-c3ccc(F)cc3)o2)CC1 ZINC000171765177 496026958 /nfs/dbraw/zinc/02/69/58/496026958.db2.gz JJUQYDRRRPDESD-UHFFFAOYSA-N 2 1 359.489 3.449 20 0 FGADMP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000177458759 496069505 /nfs/dbraw/zinc/06/95/05/496069505.db2.gz HHODVIFZYYTOOB-QGZVFWFLSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000174711377 496072930 /nfs/dbraw/zinc/07/29/30/496072930.db2.gz WRGMENFRAPBSQR-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000183690488 496081893 /nfs/dbraw/zinc/08/18/93/496081893.db2.gz ZPDPIIHHCPTAHO-IEBWSBKVSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000183690488 496081898 /nfs/dbraw/zinc/08/18/98/496081898.db2.gz ZPDPIIHHCPTAHO-IEBWSBKVSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000155943891 496114205 /nfs/dbraw/zinc/11/42/05/496114205.db2.gz NKKAIACXNHBWAN-ILXRZTDVSA-N 2 1 352.910 3.162 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000155943891 496114208 /nfs/dbraw/zinc/11/42/08/496114208.db2.gz NKKAIACXNHBWAN-ILXRZTDVSA-N 2 1 352.910 3.162 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1NC(=O)CC[NH+](C)C ZINC000183838552 496131597 /nfs/dbraw/zinc/13/15/97/496131597.db2.gz DYKYPCJYGJYYGY-IXDOHACOSA-N 2 1 374.529 3.085 20 0 FGADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000174889078 496151830 /nfs/dbraw/zinc/15/18/30/496151830.db2.gz FFUIKDPLJVZFBU-KNQAVFIVSA-N 2 1 371.569 3.491 20 0 FGADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC(F)F)c1 ZINC000172191863 496201648 /nfs/dbraw/zinc/20/16/48/496201648.db2.gz JCSORNDMQCKZNY-GASCZTMLSA-N 2 1 372.456 3.276 20 0 FGADMP C[C@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152619757 496205331 /nfs/dbraw/zinc/20/53/31/496205331.db2.gz HMJFZLZACCBMHN-KRWDZBQOSA-N 2 1 365.481 3.059 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945918 496212294 /nfs/dbraw/zinc/21/22/94/496212294.db2.gz RWFBOSBHSRYXKG-HNNXBMFYSA-N 2 1 368.363 3.468 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000177841789 496218838 /nfs/dbraw/zinc/21/88/38/496218838.db2.gz OJBLLMXVFMBIDO-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156342776 496220606 /nfs/dbraw/zinc/22/06/06/496220606.db2.gz MDBRNCFVIPOQLH-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)ccc2O1 ZINC000180993998 496233122 /nfs/dbraw/zinc/23/31/22/496233122.db2.gz OMFCCWJRSUXREP-OAQYLSRUSA-N 2 1 366.505 3.257 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C3CCSCC3)cc2)CC1 ZINC000187016788 496253350 /nfs/dbraw/zinc/25/33/50/496253350.db2.gz MHWUJNBAHWNMSE-GOSISDBHSA-N 2 1 361.599 3.445 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)CC2)[nH+]c1 ZINC000172419001 496290498 /nfs/dbraw/zinc/29/04/98/496290498.db2.gz IGCQWYFYLUPPFR-UHFFFAOYSA-N 2 1 370.541 3.083 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[N@H+](C4CCCC4)CC3)CC2)[nH+]c1 ZINC000172419001 496290506 /nfs/dbraw/zinc/29/05/06/496290506.db2.gz IGCQWYFYLUPPFR-UHFFFAOYSA-N 2 1 370.541 3.083 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034236 496298189 /nfs/dbraw/zinc/29/81/89/496298189.db2.gz MUVQGGHLJLQJAA-YESZJQIVSA-N 2 1 365.493 3.022 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037196 496298699 /nfs/dbraw/zinc/29/86/99/496298699.db2.gz JDNTTXLCCXIYMW-WBVHZDCISA-N 2 1 374.447 3.371 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037145 496298846 /nfs/dbraw/zinc/29/88/46/496298846.db2.gz JDNTTXLCCXIYMW-DOTOQJQBSA-N 2 1 374.447 3.371 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070833 496315674 /nfs/dbraw/zinc/31/56/74/496315674.db2.gz VSXYNODMGHWCIA-UKRRQHHQSA-N 2 1 373.310 3.476 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000175327919 496341404 /nfs/dbraw/zinc/34/14/04/496341404.db2.gz LTUUREQTPBJLGY-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471328 496357920 /nfs/dbraw/zinc/35/79/20/496357920.db2.gz BPKYNMPBLQHKHR-ANQUJSFKSA-N 2 1 366.347 3.346 20 0 FGADMP C[N@H+](CCN1CC[NH+](CCCCC(F)(F)F)CC1)Cc1ccccc1 ZINC000153272088 496404826 /nfs/dbraw/zinc/40/48/26/496404826.db2.gz PAHRTFDYOADCBZ-UHFFFAOYSA-N 2 1 357.464 3.469 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CCCCC(F)(F)F)CC1)Cc1ccccc1 ZINC000153272088 496404830 /nfs/dbraw/zinc/40/48/30/496404830.db2.gz PAHRTFDYOADCBZ-UHFFFAOYSA-N 2 1 357.464 3.469 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnc(C)nc3C)CC2)oc1C ZINC000162743772 496405714 /nfs/dbraw/zinc/40/57/14/496405714.db2.gz BQJIJIOWPUEPBE-CQSZACIVSA-N 2 1 357.502 3.261 20 0 FGADMP C[C@H](CC[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)c(F)c1)[NH+]1CCCCC1 ZINC000184502577 496414341 /nfs/dbraw/zinc/41/43/41/496414341.db2.gz BUMUHPRBYZHBEL-CABCVRRESA-N 2 1 356.507 3.144 20 0 FGADMP C[C@@H](OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418632 /nfs/dbraw/zinc/41/86/32/496418632.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418635 /nfs/dbraw/zinc/41/86/35/496418635.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820521 496418641 /nfs/dbraw/zinc/41/86/41/496418641.db2.gz MEJMZKUHMRWOGG-RARDXLECSA-N 2 1 366.933 3.195 20 0 FGADMP C[NH+](C)C1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000172797741 496435985 /nfs/dbraw/zinc/43/59/85/496435985.db2.gz HNRPPQVLBNIMPT-UHFFFAOYSA-N 2 1 365.521 3.241 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000184556055 496437275 /nfs/dbraw/zinc/43/72/75/496437275.db2.gz RGZBTMFHGVBJLW-NRFANRHFSA-N 2 1 374.573 3.126 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000175569822 496446966 /nfs/dbraw/zinc/44/69/66/496446966.db2.gz NQYNUFIGCJFZPZ-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175569822 496446969 /nfs/dbraw/zinc/44/69/69/496446969.db2.gz NQYNUFIGCJFZPZ-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175569822 496446974 /nfs/dbraw/zinc/44/69/74/496446974.db2.gz NQYNUFIGCJFZPZ-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP C[N@@H+](CCNC(=O)NCc1cn2cc(Cl)ccc2n1)C1CCCCC1 ZINC000157410908 496471646 /nfs/dbraw/zinc/47/16/46/496471646.db2.gz GQJYEDSJOQCBMR-UHFFFAOYSA-N 2 1 363.893 3.051 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000157480557 496484183 /nfs/dbraw/zinc/48/41/83/496484183.db2.gz WYLUYFDGAXTQMO-FXAWDEMLSA-N 2 1 371.529 3.210 20 0 FGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926107 505846923 /nfs/dbraw/zinc/84/69/23/505846923.db2.gz JMRCFIFUDQUANB-DYESRHJHSA-N 2 1 370.447 3.462 20 0 FGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926107 505846925 /nfs/dbraw/zinc/84/69/25/505846925.db2.gz JMRCFIFUDQUANB-DYESRHJHSA-N 2 1 370.447 3.462 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000163371279 496505957 /nfs/dbraw/zinc/50/59/57/496505957.db2.gz ZTBYGHNNHUNBPQ-NRFANRHFSA-N 2 1 363.505 3.062 20 0 FGADMP c1cc([C@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](c4cc[nH]n4)C3)C2)n[nH]1 ZINC000157606845 496513710 /nfs/dbraw/zinc/51/37/10/496513710.db2.gz PRDBDSPNYDBQTC-OALUTQOASA-N 2 1 370.545 3.362 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000178620568 496519488 /nfs/dbraw/zinc/51/94/88/496519488.db2.gz FYFCQLAIUQWPJK-XVAXZDLZSA-N 2 1 357.542 3.449 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178699137 496544377 /nfs/dbraw/zinc/54/43/77/496544377.db2.gz GRHSQOAMIJNGDF-IAGOWNOFSA-N 2 1 367.497 3.491 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000157767405 496549103 /nfs/dbraw/zinc/54/91/03/496549103.db2.gz BMJIGFRRCCJTBR-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000178735682 496554872 /nfs/dbraw/zinc/55/48/72/496554872.db2.gz NQRYCCPGDSIRBX-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000178735682 496554879 /nfs/dbraw/zinc/55/48/79/496554879.db2.gz NQRYCCPGDSIRBX-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000178735682 496554885 /nfs/dbraw/zinc/55/48/85/496554885.db2.gz NQRYCCPGDSIRBX-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CN(C)C(=O)COc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000163766410 496556018 /nfs/dbraw/zinc/55/60/18/496556018.db2.gz IWSRVUKIWFMIIB-UHFFFAOYSA-N 2 1 373.541 3.040 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3ccc(C)cc3)CC2)CC1 ZINC000181864321 496576579 /nfs/dbraw/zinc/57/65/79/496576579.db2.gz OSSKIPFGXKCEIH-UHFFFAOYSA-N 2 1 371.569 3.194 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000164048996 496582654 /nfs/dbraw/zinc/58/26/54/496582654.db2.gz MXAKNHFIIRXSSF-INIZCTEOSA-N 2 1 355.482 3.414 20 0 FGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184976474 496606758 /nfs/dbraw/zinc/60/67/58/496606758.db2.gz KUUZBQZJPCHVFG-OTWHNJEPSA-N 2 1 363.571 3.012 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)C[C@H](C)O1 ZINC000181967463 496617189 /nfs/dbraw/zinc/61/71/89/496617189.db2.gz ZOIZQPQZZWFNMU-HDICACEKSA-N 2 1 368.562 3.320 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158090064 496624985 /nfs/dbraw/zinc/62/49/85/496624985.db2.gz OCXIYGRTKZUUJX-NVXWUHKLSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1F ZINC000182012944 496634322 /nfs/dbraw/zinc/63/43/22/496634322.db2.gz IPISCWHUMHDPNL-LIRRHRJNSA-N 2 1 361.436 3.035 20 0 FGADMP CCCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000165495821 496659860 /nfs/dbraw/zinc/65/98/60/496659860.db2.gz LSIKZOGYXDLWCD-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000176064833 496667291 /nfs/dbraw/zinc/66/72/91/496667291.db2.gz YZLWASOXTKFKMD-OAQYLSRUSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000176064833 496667295 /nfs/dbraw/zinc/66/72/95/496667295.db2.gz YZLWASOXTKFKMD-OAQYLSRUSA-N 2 1 373.516 3.171 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)c3coc(C[NH3+])c3)cc2)C1 ZINC000188068250 496670331 /nfs/dbraw/zinc/67/03/31/496670331.db2.gz YYVVZKFOFUNMPC-IYBDPMFKSA-N 2 1 355.482 3.146 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCCC[C@@H]2CC)C1 ZINC000154086861 496680286 /nfs/dbraw/zinc/68/02/86/496680286.db2.gz UERDWLJKERFMCJ-ROUUACIJSA-N 2 1 361.534 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1 ZINC000154086861 496680291 /nfs/dbraw/zinc/68/02/91/496680291.db2.gz UERDWLJKERFMCJ-ROUUACIJSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000179122716 496682621 /nfs/dbraw/zinc/68/26/21/496682621.db2.gz QWTPADNXIWIOFR-HMXCVIKNSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000179122716 496682629 /nfs/dbraw/zinc/68/26/29/496682629.db2.gz QWTPADNXIWIOFR-HMXCVIKNSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000179122716 496682636 /nfs/dbraw/zinc/68/26/36/496682636.db2.gz QWTPADNXIWIOFR-HMXCVIKNSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000166375392 496684463 /nfs/dbraw/zinc/68/44/63/496684463.db2.gz JPDQFTWDMSDFSN-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166500526 496687627 /nfs/dbraw/zinc/68/76/27/496687627.db2.gz FWETTZOYQDIWRA-RBBKRZOGSA-N 2 1 359.558 3.018 20 0 FGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Oc1cccnc1 ZINC000574810521 505860651 /nfs/dbraw/zinc/86/06/51/505860651.db2.gz JFYYDBFXGBPHPI-IBGZPJMESA-N 2 1 367.493 3.370 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182215161 496709689 /nfs/dbraw/zinc/70/96/89/496709689.db2.gz IZKUSQWKBQIBTK-PCCBWWKXSA-N 2 1 372.557 3.195 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000182254624 496720632 /nfs/dbraw/zinc/72/06/32/496720632.db2.gz HJUXFDIXFOCECR-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C12CCCC2 ZINC000182261687 496722874 /nfs/dbraw/zinc/72/28/74/496722874.db2.gz VJMVUIVUKALUPW-PCCBWWKXSA-N 2 1 358.526 3.081 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C12CCCCC2 ZINC000182261806 496723047 /nfs/dbraw/zinc/72/30/47/496723047.db2.gz ZCAZHTKIXFDSLO-BHDDXSALSA-N 2 1 372.553 3.471 20 0 FGADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182264352 496723118 /nfs/dbraw/zinc/72/31/18/496723118.db2.gz DUUCYDUOGRJBQX-ROUUACIJSA-N 2 1 371.550 3.439 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C2CC2)C1 ZINC000182272949 496724221 /nfs/dbraw/zinc/72/42/21/496724221.db2.gz GDJLOJCLNFIAOA-GOTSBHOMSA-N 2 1 350.506 3.364 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000571986543 505862558 /nfs/dbraw/zinc/86/25/58/505862558.db2.gz WNQJDNQGJUKIEZ-KNQAVFIVSA-N 2 1 373.541 3.275 20 0 FGADMP C[NH+](C)[C@]1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCSC1 ZINC000580893249 505862853 /nfs/dbraw/zinc/86/28/53/505862853.db2.gz ZFYODAJTLKPZQE-FPOVZHCZSA-N 2 1 359.583 3.211 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000246978628 496741541 /nfs/dbraw/zinc/74/15/41/496741541.db2.gz JXDCXTUBSNIXME-LPHOPBHVSA-N 2 1 356.514 3.165 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000247067453 496769899 /nfs/dbraw/zinc/76/98/99/496769899.db2.gz OCVHOGCYVIKHJA-ZWOKBUDYSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000247067453 496769903 /nfs/dbraw/zinc/76/99/03/496769903.db2.gz OCVHOGCYVIKHJA-ZWOKBUDYSA-N 2 1 364.530 3.491 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000268740226 496770173 /nfs/dbraw/zinc/77/01/73/496770173.db2.gz POERNSFCPHVGMG-UHFFFAOYSA-N 2 1 365.949 3.005 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000268772820 496779787 /nfs/dbraw/zinc/77/97/87/496779787.db2.gz AFROWPPROVURAK-HNNXBMFYSA-N 2 1 362.905 3.262 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273383404 496790086 /nfs/dbraw/zinc/79/00/86/496790086.db2.gz GJIQFWWXOPAUCG-OAHLLOKOSA-N 2 1 372.962 3.488 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(Cl)cccc1S(C)(=O)=O ZINC000273383404 496790092 /nfs/dbraw/zinc/79/00/92/496790092.db2.gz GJIQFWWXOPAUCG-OAHLLOKOSA-N 2 1 372.962 3.488 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCS2 ZINC000191516253 496793733 /nfs/dbraw/zinc/79/37/33/496793733.db2.gz CFLKRSRXBGLMPT-KXBFYZLASA-N 2 1 362.539 3.323 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000247188637 496802095 /nfs/dbraw/zinc/80/20/95/496802095.db2.gz ZUJGPKCGSQKYOT-XNFNUYLZSA-N 2 1 365.949 3.032 20 0 FGADMP Cn1c2ccc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000195045740 496802461 /nfs/dbraw/zinc/80/24/61/496802461.db2.gz IVKJNBFTGBRPOB-WBVHZDCISA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000195045740 496802466 /nfs/dbraw/zinc/80/24/66/496802466.db2.gz IVKJNBFTGBRPOB-WBVHZDCISA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc2sc1=O ZINC000195045740 496802472 /nfs/dbraw/zinc/80/24/72/496802472.db2.gz IVKJNBFTGBRPOB-WBVHZDCISA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc2sc1=O ZINC000195045740 496802476 /nfs/dbraw/zinc/80/24/76/496802476.db2.gz IVKJNBFTGBRPOB-WBVHZDCISA-N 2 1 357.523 3.049 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214114 496807184 /nfs/dbraw/zinc/80/71/84/496807184.db2.gz XEYQUTZCJKMYRF-SJORKVTESA-N 2 1 365.949 3.399 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000268863800 496808254 /nfs/dbraw/zinc/80/82/54/496808254.db2.gz DWWYZQQLVOTXFI-PMXSJFBMSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000268863800 496808260 /nfs/dbraw/zinc/80/82/60/496808260.db2.gz DWWYZQQLVOTXFI-PMXSJFBMSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1nc2c(s1)[C@H]([N@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000191573092 496817315 /nfs/dbraw/zinc/81/73/15/496817315.db2.gz BEIQOWQLXILBNP-GOSISDBHSA-N 2 1 350.576 3.177 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247300474 496828895 /nfs/dbraw/zinc/82/88/95/496828895.db2.gz UQUQDSAXMIUREO-WMLDXEAASA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000247300474 496828901 /nfs/dbraw/zinc/82/89/01/496828901.db2.gz UQUQDSAXMIUREO-WMLDXEAASA-N 2 1 369.431 3.450 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000572009623 505868735 /nfs/dbraw/zinc/86/87/35/505868735.db2.gz LWXFUXLYLSMOMU-ROUUACIJSA-N 2 1 367.497 3.128 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000195159410 496838437 /nfs/dbraw/zinc/83/84/37/496838437.db2.gz GDKMWPSVSXCHLQ-FQEVSTJZSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000247382658 496847978 /nfs/dbraw/zinc/84/79/78/496847978.db2.gz FQFIRSPCZKVCGR-OXJNMPFZSA-N 2 1 369.484 3.374 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247432226 496858883 /nfs/dbraw/zinc/85/88/83/496858883.db2.gz MFEMGYRPWJGQFF-CRAIPNDOSA-N 2 1 352.906 3.329 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247432226 496858887 /nfs/dbraw/zinc/85/88/87/496858887.db2.gz MFEMGYRPWJGQFF-CRAIPNDOSA-N 2 1 352.906 3.329 20 0 FGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(Br)c1O ZINC000273716294 496883147 /nfs/dbraw/zinc/88/31/47/496883147.db2.gz LPAOUABZHCXYRF-NSHDSACASA-N 2 1 368.275 3.094 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000247960622 496933440 /nfs/dbraw/zinc/93/34/40/496933440.db2.gz GELZVNWDINKVGG-ZBFHGGJFSA-N 2 1 360.420 3.473 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccsc1 ZINC000248199695 496972241 /nfs/dbraw/zinc/97/22/41/496972241.db2.gz YGSUJCILAPENII-MAUKXSAKSA-N 2 1 357.523 3.296 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248405121 496998761 /nfs/dbraw/zinc/99/87/61/496998761.db2.gz RBAYACPENMSGED-QYZOEREBSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248405121 496998766 /nfs/dbraw/zinc/99/87/66/496998766.db2.gz RBAYACPENMSGED-QYZOEREBSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248405121 496998770 /nfs/dbraw/zinc/99/87/70/496998770.db2.gz RBAYACPENMSGED-QYZOEREBSA-N 2 1 364.578 3.203 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000248411146 497000618 /nfs/dbraw/zinc/00/06/18/497000618.db2.gz YWBAAWLCCCKGRQ-LRSLUSHPSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@@H](CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000248429610 497009322 /nfs/dbraw/zinc/00/93/22/497009322.db2.gz AHFGJIALPXGYND-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000569211908 505879599 /nfs/dbraw/zinc/87/95/99/505879599.db2.gz UEMAYPGHJXDBDX-VAMGGRTRSA-N 2 1 359.514 3.040 20 0 FGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248460028 497018701 /nfs/dbraw/zinc/01/87/01/497018701.db2.gz WDEJDLNZLODMRA-OPAMFIHVSA-N 2 1 367.493 3.062 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000248506725 497028134 /nfs/dbraw/zinc/02/81/34/497028134.db2.gz WYLSDCXZSJXTIA-QYZOEREBSA-N 2 1 364.578 3.203 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546739 497035790 /nfs/dbraw/zinc/03/57/90/497035790.db2.gz DYDVITPJFDFXFN-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546739 497035798 /nfs/dbraw/zinc/03/57/98/497035798.db2.gz DYDVITPJFDFXFN-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546739 497035803 /nfs/dbraw/zinc/03/58/03/497035803.db2.gz DYDVITPJFDFXFN-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546739 497035810 /nfs/dbraw/zinc/03/58/10/497035810.db2.gz DYDVITPJFDFXFN-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248546739 497035814 /nfs/dbraw/zinc/03/58/14/497035814.db2.gz DYDVITPJFDFXFN-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248558602 497038001 /nfs/dbraw/zinc/03/80/01/497038001.db2.gz IXCVMVRLZQXSHP-BXWFABGCSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248558602 497038005 /nfs/dbraw/zinc/03/80/05/497038005.db2.gz IXCVMVRLZQXSHP-BXWFABGCSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092344 497045875 /nfs/dbraw/zinc/04/58/75/497045875.db2.gz NATWBFYEUSQULC-MSOLQXFVSA-N 2 1 369.513 3.130 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911715 505881637 /nfs/dbraw/zinc/88/16/37/505881637.db2.gz BQZIXADYKPACGR-IEBWSBKVSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911715 505881641 /nfs/dbraw/zinc/88/16/41/505881641.db2.gz BQZIXADYKPACGR-IEBWSBKVSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)cs1 ZINC000248728050 497090873 /nfs/dbraw/zinc/09/08/73/497090873.db2.gz JPYDWCMIJOTVCO-JSGCOSHPSA-N 2 1 361.349 3.398 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236659625 497128309 /nfs/dbraw/zinc/12/83/09/497128309.db2.gz RLOASTBZRFSCAT-YADHBBJMSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270531298 497145910 /nfs/dbraw/zinc/14/59/10/497145910.db2.gz UXGPZTHVOXFLQD-ZDUSSCGKSA-N 2 1 359.345 3.254 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCc1cc(COC(C)(C)C)on1 ZINC000249126969 497171882 /nfs/dbraw/zinc/17/18/82/497171882.db2.gz JLSZRGXIWMBTGK-OXJNMPFZSA-N 2 1 372.513 3.385 20 0 FGADMP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000249126969 497171889 /nfs/dbraw/zinc/17/18/89/497171889.db2.gz JLSZRGXIWMBTGK-OXJNMPFZSA-N 2 1 372.513 3.385 20 0 FGADMP CCN(C(=O)NC[C@H](C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000249299959 497190556 /nfs/dbraw/zinc/19/05/56/497190556.db2.gz NZQWBIITBPLXBR-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249336985 497192207 /nfs/dbraw/zinc/19/22/07/497192207.db2.gz ZLDWUDJGWDRLSB-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249336985 497192211 /nfs/dbraw/zinc/19/22/11/497192211.db2.gz ZLDWUDJGWDRLSB-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249336985 497192215 /nfs/dbraw/zinc/19/22/15/497192215.db2.gz ZLDWUDJGWDRLSB-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237192514 497203061 /nfs/dbraw/zinc/20/30/61/497203061.db2.gz SJVGBQJHNARPBY-NRFANRHFSA-N 2 1 351.494 3.057 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000237197037 497203137 /nfs/dbraw/zinc/20/31/37/497203137.db2.gz XHDKSEKJZMAOEG-GOSISDBHSA-N 2 1 359.514 3.000 20 0 FGADMP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000581015029 505890914 /nfs/dbraw/zinc/89/09/14/505890914.db2.gz SVBLMOBQQDBXIZ-INIZCTEOSA-N 2 1 373.522 3.192 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000189700825 497216808 /nfs/dbraw/zinc/21/68/08/497216808.db2.gz CXFMKYGDDTUKRK-UHFFFAOYSA-N 2 1 360.546 3.153 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC[C@@H]3CCCO3)CC2)c1C ZINC000189802147 497249874 /nfs/dbraw/zinc/24/98/74/497249874.db2.gz YFAZAYSUYWWUKZ-IBGZPJMESA-N 2 1 361.530 3.172 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC[C@@H]3CCCO3)CC2)c1C ZINC000189802147 497249880 /nfs/dbraw/zinc/24/98/80/497249880.db2.gz YFAZAYSUYWWUKZ-IBGZPJMESA-N 2 1 361.530 3.172 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235776 505894573 /nfs/dbraw/zinc/89/45/73/505894573.db2.gz XNYKBLANJXVWBD-KAGYGMCKSA-N 2 1 365.521 3.493 20 0 FGADMP COC(=O)c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)oc1C ZINC000278970209 497285104 /nfs/dbraw/zinc/28/51/04/497285104.db2.gz XUUDNBHXWMAGHS-UHFFFAOYSA-N 2 1 357.454 3.287 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000252441611 497298892 /nfs/dbraw/zinc/29/88/92/497298892.db2.gz NPXMDFNFIQYOPI-UYAOXDASSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ccc2OCOC)c1 ZINC000271256615 497305216 /nfs/dbraw/zinc/30/52/16/497305216.db2.gz YGJACFMZZHCFOT-UHFFFAOYSA-N 2 1 358.482 3.419 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@@H](C)C1 ZINC000271455728 497353290 /nfs/dbraw/zinc/35/32/90/497353290.db2.gz JEISOAWYHUSSBI-FUHWJXTLSA-N 2 1 350.503 3.018 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000255839681 497375859 /nfs/dbraw/zinc/37/58/59/497375859.db2.gz AXENATINCZPQNG-FPOVZHCZSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193437422 497380565 /nfs/dbraw/zinc/38/05/65/497380565.db2.gz UMBYBTFYROYHQK-IBGZPJMESA-N 2 1 350.466 3.366 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCS2 ZINC000578277501 505903350 /nfs/dbraw/zinc/90/33/50/505903350.db2.gz BFYVNKJJNLBDPN-GOSISDBHSA-N 2 1 373.522 3.357 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190211802 497400973 /nfs/dbraw/zinc/40/09/73/497400973.db2.gz UPTHUHFDENMWNO-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)C1 ZINC000245433792 497403721 /nfs/dbraw/zinc/40/37/21/497403721.db2.gz PJXNPTGPNAHFBX-FGTMMUONSA-N 2 1 363.571 3.464 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000275691704 497404541 /nfs/dbraw/zinc/40/45/41/497404541.db2.gz RMIATCPROMSVIX-UHFFFAOYSA-N 2 1 372.488 3.183 20 0 FGADMP C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573989 497415942 /nfs/dbraw/zinc/41/59/42/497415942.db2.gz AXSSDISZINDFGF-YYWHXJBOSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C[NH3+] ZINC000575021399 505906305 /nfs/dbraw/zinc/90/63/05/505906305.db2.gz CHXODYVNGLCXMF-IAGOWNOFSA-N 2 1 353.514 3.477 20 0 FGADMP CCCN(C(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261677038 497432023 /nfs/dbraw/zinc/43/20/23/497432023.db2.gz BCOSEIXRQKQMIZ-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]([NH2+]Cc1ncnn1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000279470137 497447534 /nfs/dbraw/zinc/44/75/34/497447534.db2.gz JXGXXSATAFTLLF-QGZVFWFLSA-N 2 1 365.481 3.059 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000245619016 497476420 /nfs/dbraw/zinc/47/64/20/497476420.db2.gz DPEFMSKINHCSCZ-VQTJNVASSA-N 2 1 352.482 3.315 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245646541 497487416 /nfs/dbraw/zinc/48/74/16/497487416.db2.gz BRZNHIKONZOHJA-DKUWSORSSA-N 2 1 355.526 3.030 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@@H]2CCCO2)C3)cc1 ZINC000245650377 497488628 /nfs/dbraw/zinc/48/86/28/497488628.db2.gz CIJIRKCQZYAJNI-LRSLUSHPSA-N 2 1 358.526 3.357 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1OC(=O)C1CC1 ZINC000271933041 497491721 /nfs/dbraw/zinc/49/17/21/497491721.db2.gz UUAAZEBSSCMPCQ-UHFFFAOYSA-N 2 1 358.482 3.117 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(OC2CCCC2)c1 ZINC000262046110 497498848 /nfs/dbraw/zinc/49/88/48/497498848.db2.gz ZCNKOMPNPWGGFY-PWRODBHTSA-N 2 1 374.525 3.263 20 0 FGADMP Fc1cc(F)cc(Oc2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262086843 497505760 /nfs/dbraw/zinc/50/57/60/497505760.db2.gz GEPBKPDWBKCLCO-LJQANCHMSA-N 2 1 373.447 3.237 20 0 FGADMP Fc1cccc(Oc2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262082871 497506096 /nfs/dbraw/zinc/50/60/96/497506096.db2.gz FOKZHMVXXCHOGN-IBGZPJMESA-N 2 1 355.457 3.098 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000279687367 497511032 /nfs/dbraw/zinc/51/10/32/497511032.db2.gz HHIZESIJOMDULS-UHFFFAOYSA-N 2 1 354.498 3.267 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000279687367 497511038 /nfs/dbraw/zinc/51/10/38/497511038.db2.gz HHIZESIJOMDULS-UHFFFAOYSA-N 2 1 354.498 3.267 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262261724 497531396 /nfs/dbraw/zinc/53/13/96/497531396.db2.gz JLXOJAMMAFNCGQ-FXTMCPBRSA-N 2 1 369.553 3.309 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000193993375 497542454 /nfs/dbraw/zinc/54/24/54/497542454.db2.gz ZBLFRNHDZXFULR-ZHNGQKSSSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000193993375 497542456 /nfs/dbraw/zinc/54/24/56/497542456.db2.gz ZBLFRNHDZXFULR-ZHNGQKSSSA-N 2 1 370.537 3.345 20 0 FGADMP C[NH+](CCCCCCCC[N@H+](C)Cc1cnccn1)Cc1cnccn1 ZINC000267403835 497542948 /nfs/dbraw/zinc/54/29/48/497542948.db2.gz RKAWKYCSOFBSPR-UHFFFAOYSA-N 2 1 356.518 3.171 20 0 FGADMP CCCN(C(=O)[C@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262357591 497544001 /nfs/dbraw/zinc/54/40/01/497544001.db2.gz JQHZDNMWFSFZEG-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394113 497549304 /nfs/dbraw/zinc/54/93/04/497549304.db2.gz ZCJKYPOTVTUFPH-VYIBBNTISA-N 2 1 355.526 3.092 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC[NH2+]1 ZINC000262416336 497552630 /nfs/dbraw/zinc/55/26/30/497552630.db2.gz PYZAXSBVWVMHMU-FPOVZHCZSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C ZINC000245890353 497562303 /nfs/dbraw/zinc/56/23/03/497562303.db2.gz JNRZNKJDOGMDRH-IAGOWNOFSA-N 2 1 361.555 3.152 20 0 FGADMP CC(C)N(C)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cn1 ZINC000190698048 497577143 /nfs/dbraw/zinc/57/71/43/497577143.db2.gz UEBHKSIXBAYRBJ-UHFFFAOYSA-N 2 1 368.525 3.048 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262665402 497594625 /nfs/dbraw/zinc/59/46/25/497594625.db2.gz JJGKGOVOHFWPNB-QCGZVJTDSA-N 2 1 367.537 3.219 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262687538 497600727 /nfs/dbraw/zinc/60/07/27/497600727.db2.gz YIQZFLSURXVQAY-IFMALSPDSA-N 2 1 365.521 3.365 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851583 497637623 /nfs/dbraw/zinc/63/76/23/497637623.db2.gz KDBVEYOSGONOHG-FDDCHVKYSA-N 2 1 365.521 3.409 20 0 FGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000246147812 497638308 /nfs/dbraw/zinc/63/83/08/497638308.db2.gz BUBLZNLISIIYED-RBBKRZOGSA-N 2 1 371.569 3.447 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(=O)OC)n(C)c2)CC1)CC(C)C ZINC000572231635 505920420 /nfs/dbraw/zinc/92/04/20/505920420.db2.gz WUGKRNRXUWDGLG-UHFFFAOYSA-N 2 1 363.546 3.392 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205067 497659664 /nfs/dbraw/zinc/65/96/64/497659664.db2.gz QUZCVUKQYWVNBI-JFIYKMOQSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000246205067 497659666 /nfs/dbraw/zinc/65/96/66/497659666.db2.gz QUZCVUKQYWVNBI-JFIYKMOQSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268051505 497668290 /nfs/dbraw/zinc/66/82/90/497668290.db2.gz VKNGXWNKBSLDQZ-GOSISDBHSA-N 2 1 371.550 3.104 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2c3ccccc3CC[C@@H]2C)C1 ZINC000246232661 497669729 /nfs/dbraw/zinc/66/97/29/497669729.db2.gz QKSANHOUPMHWOI-OTWHNJEPSA-N 2 1 357.542 3.407 20 0 FGADMP C[C@@H](CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000246281461 497682224 /nfs/dbraw/zinc/68/22/24/497682224.db2.gz MORPGMHUCYPVBE-UGKGYDQZSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263028830 497685344 /nfs/dbraw/zinc/68/53/44/497685344.db2.gz RQAWLWHKETUSTM-CLVLRRQTSA-N 2 1 355.526 3.206 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979252 497705723 /nfs/dbraw/zinc/70/57/23/497705723.db2.gz YZMJPLWHCCUQKN-BBRMVZONSA-N 2 1 359.495 3.169 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705717 497707708 /nfs/dbraw/zinc/70/77/08/497707708.db2.gz GMUJLTCWMLYYCA-MAUKXSAKSA-N 2 1 364.559 3.081 20 0 FGADMP Cc1nc2ccccc2n1C1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000280330757 497721844 /nfs/dbraw/zinc/72/18/44/497721844.db2.gz ZROFRZQAMLECFB-UHFFFAOYSA-N 2 1 368.506 3.360 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NCCCn1c(C)nc2ccccc21 ZINC000246425098 497729262 /nfs/dbraw/zinc/72/92/62/497729262.db2.gz SSFIZBKJWZFVAR-MSOLQXFVSA-N 2 1 369.513 3.003 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000246438673 497734524 /nfs/dbraw/zinc/73/45/24/497734524.db2.gz NSGDMPJWBDHUGM-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246448036 497737347 /nfs/dbraw/zinc/73/73/47/497737347.db2.gz DSJZQAPRPDCIRM-PLMTUMEDSA-N 2 1 373.516 3.294 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000277134557 497751469 /nfs/dbraw/zinc/75/14/69/497751469.db2.gz OSZOIXNZLGSFRS-WIYYLYMNSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccnn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000277134557 497751474 /nfs/dbraw/zinc/75/14/74/497751474.db2.gz OSZOIXNZLGSFRS-WIYYLYMNSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000246515036 497760066 /nfs/dbraw/zinc/76/00/66/497760066.db2.gz KBBLEVXWIPYYMP-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)CC2 ZINC000246533981 497766569 /nfs/dbraw/zinc/76/65/69/497766569.db2.gz XWRSUFJVMURFEX-TYPHKJRUSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)CC2 ZINC000246533981 497766573 /nfs/dbraw/zinc/76/65/73/497766573.db2.gz XWRSUFJVMURFEX-TYPHKJRUSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)CC2 ZINC000246533981 497766575 /nfs/dbraw/zinc/76/65/75/497766575.db2.gz XWRSUFJVMURFEX-TYPHKJRUSA-N 2 1 372.557 3.164 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000194817265 497781052 /nfs/dbraw/zinc/78/10/52/497781052.db2.gz BUPWEJVPNNKKHW-OALUTQOASA-N 2 1 361.917 3.076 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000194817265 497781055 /nfs/dbraw/zinc/78/10/55/497781055.db2.gz BUPWEJVPNNKKHW-OALUTQOASA-N 2 1 361.917 3.076 20 0 FGADMP Cc1c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cnn1C(C)C ZINC000191329372 497782641 /nfs/dbraw/zinc/78/26/41/497782641.db2.gz RBSGSKPYPYHJJD-HNNXBMFYSA-N 2 1 356.518 3.499 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246904458 497819529 /nfs/dbraw/zinc/81/95/29/497819529.db2.gz HCMWNKDSFLNFAD-QZTJIDSGSA-N 2 1 354.583 3.164 20 0 FGADMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246929414 497820782 /nfs/dbraw/zinc/82/07/82/497820782.db2.gz SYOKKSGXBONFID-ZDWTUXFCSA-N 2 1 367.537 3.301 20 0 FGADMP C[C@@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364292289 497884068 /nfs/dbraw/zinc/88/40/68/497884068.db2.gz QLXZTYSDOIRVKM-GOSISDBHSA-N 2 1 357.542 3.103 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296395 497885866 /nfs/dbraw/zinc/88/58/66/497885866.db2.gz BWUBIUZTEQNGLV-IRLDBZIGSA-N 2 1 361.493 3.358 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCCCn1c(C)nc2ccccc21 ZINC000578476389 505948749 /nfs/dbraw/zinc/94/87/49/505948749.db2.gz NYMWASMJWFBYMJ-INIZCTEOSA-N 2 1 359.518 3.154 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000578486970 505951600 /nfs/dbraw/zinc/95/16/00/505951600.db2.gz COBZFXPPRNDUCB-JOCHJYFZSA-N 2 1 356.485 3.026 20 0 FGADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519152 505959187 /nfs/dbraw/zinc/95/91/87/505959187.db2.gz QIHFFVRISQNBLR-OALUTQOASA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519152 505959190 /nfs/dbraw/zinc/95/91/90/505959190.db2.gz QIHFFVRISQNBLR-OALUTQOASA-N 2 1 354.922 3.100 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329766 505962467 /nfs/dbraw/zinc/96/24/67/505962467.db2.gz FBNBBAWCXSAUSD-VQTJNVASSA-N 2 1 361.530 3.067 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccc(C)cc4C3)CC2)CC1 ZINC000578547865 505965170 /nfs/dbraw/zinc/96/51/70/505965170.db2.gz GATYTBKKFQSUSW-UHFFFAOYSA-N 2 1 355.526 3.034 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C2 ZINC000364563062 498024646 /nfs/dbraw/zinc/02/46/46/498024646.db2.gz CRWBBRDZGHJISG-APWZRJJASA-N 2 1 354.498 3.057 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000285348782 498059099 /nfs/dbraw/zinc/05/90/99/498059099.db2.gz VCGIUFQMFODWFR-UHFFFAOYSA-N 3 1 372.601 3.045 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000285348782 498059111 /nfs/dbraw/zinc/05/91/11/498059111.db2.gz VCGIUFQMFODWFR-UHFFFAOYSA-N 3 1 372.601 3.045 20 0 FGADMP C[NH+](Cc1ccccc1)C1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000285348782 498059105 /nfs/dbraw/zinc/05/91/05/498059105.db2.gz VCGIUFQMFODWFR-UHFFFAOYSA-N 3 1 372.601 3.045 20 0 FGADMP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000285358781 498062599 /nfs/dbraw/zinc/06/25/99/498062599.db2.gz VOAAOCFEJOJSQH-WIYYLYMNSA-N 2 1 352.478 3.126 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000569596215 505972760 /nfs/dbraw/zinc/97/27/60/505972760.db2.gz ZVCMODVMNWWHHU-PXNSSMCTSA-N 2 1 372.484 3.381 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000572464972 505975187 /nfs/dbraw/zinc/97/51/87/505975187.db2.gz VUPILOQFXCPOGK-IYBDPMFKSA-N 2 1 358.530 3.210 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)CC1 ZINC000289373940 498124752 /nfs/dbraw/zinc/12/47/52/498124752.db2.gz BOHDAGJDONXQSG-UHFFFAOYSA-N 2 1 370.566 3.270 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000364755919 498130110 /nfs/dbraw/zinc/13/01/10/498130110.db2.gz CQNGTZNCKLYXSM-LJQANCHMSA-N 2 1 373.545 3.227 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511959 505986702 /nfs/dbraw/zinc/98/67/02/505986702.db2.gz IQYNNZKZTPUIHW-DLBZAZTESA-N 2 1 364.534 3.225 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)c1ccc(Cl)cc1 ZINC000578660274 505991660 /nfs/dbraw/zinc/99/16/60/505991660.db2.gz YTMOEWUOQUGAOA-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000578660274 505991662 /nfs/dbraw/zinc/99/16/62/505991662.db2.gz YTMOEWUOQUGAOA-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000578660274 505991664 /nfs/dbraw/zinc/99/16/64/505991664.db2.gz YTMOEWUOQUGAOA-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(F)c(N[C@@H]2CCn3ccnc32)c1 ZINC000296763291 498186450 /nfs/dbraw/zinc/18/64/50/498186450.db2.gz KEIIKVYBJXIIMO-WMLDXEAASA-N 2 1 371.460 3.392 20 0 FGADMP C[C@H]1CCCCN1CC(=O)Nc1ccc(F)c(N[C@@H]2CCn3ccnc32)c1 ZINC000296763291 498186455 /nfs/dbraw/zinc/18/64/55/498186455.db2.gz KEIIKVYBJXIIMO-WMLDXEAASA-N 2 1 371.460 3.392 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000569693487 505995493 /nfs/dbraw/zinc/99/54/93/505995493.db2.gz OILITPWIXBYUKD-HUUCEWRRSA-N 2 1 372.465 3.050 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000569701028 505996792 /nfs/dbraw/zinc/99/67/92/505996792.db2.gz QJBPXSUOFMEZEE-FCHUYYIVSA-N 2 1 363.505 3.458 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]Cc3cccc(N4CCOCC4)c3)CC2)cc1 ZINC000293091552 498265193 /nfs/dbraw/zinc/26/51/93/498265193.db2.gz XAWGMXGZXVBFTD-UHFFFAOYSA-N 2 1 365.521 3.277 20 0 FGADMP c1c[nH]c([C@@H](NC[C@H]2CCC[N@@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062836 498278843 /nfs/dbraw/zinc/27/88/43/498278843.db2.gz APHVFIKPSXKFLE-RTWAWAEBSA-N 2 1 361.493 3.191 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2c(C)onc2CC)CC1 ZINC000575810370 506010138 /nfs/dbraw/zinc/01/01/38/506010138.db2.gz OJKYXYHMIYBWHD-UHFFFAOYSA-N 2 1 356.514 3.367 20 0 FGADMP Cc1cc(CNC(=O)NCCCCC[NH+]2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000297012927 498286717 /nfs/dbraw/zinc/28/67/17/498286717.db2.gz IXPCQKWOCBQSHJ-UHFFFAOYSA-N 2 1 373.545 3.056 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000365190625 498342924 /nfs/dbraw/zinc/34/29/24/498342924.db2.gz IAKFSAGAZZUHJZ-HKUYNNGSSA-N 2 1 360.889 3.187 20 0 FGADMP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000569809357 506021727 /nfs/dbraw/zinc/02/17/27/506021727.db2.gz GMIYJZYGFNWXCM-PKOBYXMFSA-N 2 1 372.557 3.388 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)nc1 ZINC000289969649 498376098 /nfs/dbraw/zinc/37/60/98/498376098.db2.gz XJFKWRVNLWFSNH-ZNMIVQPWSA-N 2 1 370.335 3.384 20 0 FGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000572685994 506028728 /nfs/dbraw/zinc/02/87/28/506028728.db2.gz SMLBDJODRAVFTB-ICSRJNTNSA-N 2 1 365.525 3.354 20 0 FGADMP C[C@H]1C[C@@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000572685994 506028732 /nfs/dbraw/zinc/02/87/32/506028732.db2.gz SMLBDJODRAVFTB-ICSRJNTNSA-N 2 1 365.525 3.354 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000575897663 506028810 /nfs/dbraw/zinc/02/88/10/506028810.db2.gz CQARHLHAXVCNIE-PGRDOPGGSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H](C(=O)NCc1cccs1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199395 498420400 /nfs/dbraw/zinc/42/04/00/498420400.db2.gz XAHDUBIZMKDZHK-HOTGVXAUSA-N 2 1 372.538 3.165 20 0 FGADMP CN1CC[NH+](C[C@@H]2CCCN(c3cc[nH+]c4cc(Cl)ccc43)C2)CC1 ZINC000361813080 498435236 /nfs/dbraw/zinc/43/52/36/498435236.db2.gz HWFGIXGTDGNLMG-INIZCTEOSA-N 2 1 358.917 3.352 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293679529 498451725 /nfs/dbraw/zinc/45/17/25/498451725.db2.gz KGXLXRYYACBXMV-OCCSQVGLSA-N 2 1 373.360 3.324 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000290252993 498483440 /nfs/dbraw/zinc/48/34/40/498483440.db2.gz KAEQSPLZZRABJC-MSOLQXFVSA-N 2 1 362.514 3.279 20 0 FGADMP CCc1nnc(C[N@H+](CC)C2CCN(c3cc(C)nc(C(C)C)n3)CC2)o1 ZINC000365506588 498503461 /nfs/dbraw/zinc/50/34/61/498503461.db2.gz IEXWYZHMBLCVTP-UHFFFAOYSA-N 2 1 372.517 3.345 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369263 498526737 /nfs/dbraw/zinc/52/67/37/498526737.db2.gz NGAJGWOGELXGFG-WBVHZDCISA-N 2 1 373.522 3.189 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982685 506048692 /nfs/dbraw/zinc/04/86/92/506048692.db2.gz WTPHULGTZYKEEA-KJJMTIBFSA-N 2 1 366.505 3.212 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000578923046 506052341 /nfs/dbraw/zinc/05/23/41/506052341.db2.gz GNZRXKRBKNAYDY-SJORKVTESA-N 2 1 359.514 3.160 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000578923046 506052344 /nfs/dbraw/zinc/05/23/44/506052344.db2.gz GNZRXKRBKNAYDY-SJORKVTESA-N 2 1 359.514 3.160 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000297785283 498566211 /nfs/dbraw/zinc/56/62/11/498566211.db2.gz WLGKRQBSLRXXRD-SFTDATJTSA-N 2 1 353.514 3.171 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362943292 498584092 /nfs/dbraw/zinc/58/40/92/498584092.db2.gz UESJHLLDBULTBT-DOTOQJQBSA-N 2 1 353.457 3.061 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362943292 498584097 /nfs/dbraw/zinc/58/40/97/498584097.db2.gz UESJHLLDBULTBT-DOTOQJQBSA-N 2 1 353.457 3.061 20 0 FGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999461 498597439 /nfs/dbraw/zinc/59/74/39/498597439.db2.gz FKJORHXWGNQVFG-UXHICEINSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999461 498597443 /nfs/dbraw/zinc/59/74/43/498597443.db2.gz FKJORHXWGNQVFG-UXHICEINSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCc1ccncc1 ZINC000362999461 498597446 /nfs/dbraw/zinc/59/74/46/498597446.db2.gz FKJORHXWGNQVFG-UXHICEINSA-N 2 1 367.493 3.386 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000365709727 498608528 /nfs/dbraw/zinc/60/85/28/498608528.db2.gz FLLRHUXDRSZUIK-LNXHZJMOSA-N 2 1 364.578 3.154 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@@H](O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000363044452 498620026 /nfs/dbraw/zinc/62/00/26/498620026.db2.gz QUWYOXRQSAKDTP-LJQANCHMSA-N 2 1 374.916 3.381 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H](O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000363044452 498620033 /nfs/dbraw/zinc/62/00/33/498620033.db2.gz QUWYOXRQSAKDTP-LJQANCHMSA-N 2 1 374.916 3.381 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000303012732 498639076 /nfs/dbraw/zinc/63/90/76/498639076.db2.gz PBLURLWLWWIFJR-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012732 498639083 /nfs/dbraw/zinc/63/90/83/498639083.db2.gz PBLURLWLWWIFJR-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000303012732 498639091 /nfs/dbraw/zinc/63/90/91/498639091.db2.gz PBLURLWLWWIFJR-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1CC1 ZINC000303140422 498651035 /nfs/dbraw/zinc/65/10/35/498651035.db2.gz DMIMLPCQFMGSDX-UHFFFAOYSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130648 498673272 /nfs/dbraw/zinc/67/32/72/498673272.db2.gz PZNSEVRUTUIQSQ-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000303506435 498683555 /nfs/dbraw/zinc/68/35/55/498683555.db2.gz AZOJUXMUPBCFNU-SFTDATJTSA-N 2 1 372.557 3.387 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)C[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000363220829 498709813 /nfs/dbraw/zinc/70/98/13/498709813.db2.gz IJCFZVIZTOHAHG-FDYSRKEFSA-N 2 1 364.578 3.013 20 0 FGADMP CN(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287369539 498733124 /nfs/dbraw/zinc/73/31/24/498733124.db2.gz SUIFNWDSKOUHIE-JKWVGCSGSA-N 2 1 370.541 3.090 20 0 FGADMP CN(C(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311496206 498751962 /nfs/dbraw/zinc/75/19/62/498751962.db2.gz VSIYOHVPLXRUAO-SFTDATJTSA-N 2 1 351.494 3.200 20 0 FGADMP O=C(Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1)c1ccncc1 ZINC000298407047 498760980 /nfs/dbraw/zinc/76/09/80/498760980.db2.gz LYVLNGWLQQCRKZ-UHFFFAOYSA-N 2 1 350.466 3.050 20 0 FGADMP CC1CC[NH+](CCC[C@H]([NH2+]Cc2cnnn2C)c2ccc(F)cc2)CC1 ZINC000291065442 498780393 /nfs/dbraw/zinc/78/03/93/498780393.db2.gz AOKIBWWJDPUYLI-FQEVSTJZSA-N 2 1 359.493 3.297 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098760 506090477 /nfs/dbraw/zinc/09/04/77/506090477.db2.gz WKHHPVAJVQXRTB-SJLPKXTDSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098760 506090481 /nfs/dbraw/zinc/09/04/81/506090481.db2.gz WKHHPVAJVQXRTB-SJLPKXTDSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098760 506090483 /nfs/dbraw/zinc/09/04/83/506090483.db2.gz WKHHPVAJVQXRTB-SJLPKXTDSA-N 2 1 363.571 3.211 20 0 FGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000287569079 498800041 /nfs/dbraw/zinc/80/00/41/498800041.db2.gz GRFOYQNJAKVXKS-MSOLQXFVSA-N 2 1 356.432 3.393 20 0 FGADMP C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291113147 498800821 /nfs/dbraw/zinc/80/08/21/498800821.db2.gz KOIBLAPAZFMQTC-TWHAJKEOSA-N 2 1 371.569 3.007 20 0 FGADMP C[C@@H]1C[C@H](NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000291113143 498801033 /nfs/dbraw/zinc/80/10/33/498801033.db2.gz KOIBLAPAZFMQTC-QQUTXWOLSA-N 2 1 371.569 3.007 20 0 FGADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000287572543 498801210 /nfs/dbraw/zinc/80/12/10/498801210.db2.gz QRKUUIYIUDHOEY-GHTZIAJQSA-N 2 1 362.477 3.423 20 0 FGADMP c1ccc(-c2noc(CCC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)n2)cc1 ZINC000363414145 498807557 /nfs/dbraw/zinc/80/75/57/498807557.db2.gz KPAQVXAYKKMNFQ-GUDVDZBRSA-N 2 1 352.482 3.085 20 0 FGADMP Cn1ccnc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000298545387 498808467 /nfs/dbraw/zinc/80/84/67/498808467.db2.gz UCTGLCCMLZRUOK-FQEVSTJZSA-N 2 1 365.456 3.302 20 0 FGADMP COC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287664647 498830211 /nfs/dbraw/zinc/83/02/11/498830211.db2.gz LWHQXRZNCFAGJP-ROUUACIJSA-N 2 1 371.928 3.028 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000366247235 498838365 /nfs/dbraw/zinc/83/83/65/498838365.db2.gz GBKOVBFRVQWVNY-HNNXBMFYSA-N 2 1 356.861 3.034 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363479003 498840692 /nfs/dbraw/zinc/84/06/92/498840692.db2.gz FCFUQZKOXFHHQM-CQSZACIVSA-N 2 1 369.962 3.024 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(F)cn1 ZINC000287703998 498842613 /nfs/dbraw/zinc/84/26/13/498842613.db2.gz NSYUXDOVMGPFDD-OAHLLOKOSA-N 2 1 373.472 3.037 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000576225605 506106952 /nfs/dbraw/zinc/10/69/52/506106952.db2.gz XZNYWRGEJJYJRT-RTWAWAEBSA-N 2 1 357.542 3.380 20 0 FGADMP COc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000328641732 498886141 /nfs/dbraw/zinc/88/61/41/498886141.db2.gz QTVGTCMVFDLJDV-UWJYYQICSA-N 2 1 355.482 3.190 20 0 FGADMP COc1cc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1OC ZINC000328641732 498886147 /nfs/dbraw/zinc/88/61/47/498886147.db2.gz QTVGTCMVFDLJDV-UWJYYQICSA-N 2 1 355.482 3.190 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1 ZINC000291499828 498965938 /nfs/dbraw/zinc/96/59/38/498965938.db2.gz VAOLNNIMVXHZMW-UHFFFAOYSA-N 2 1 363.505 3.274 20 0 FGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000573112206 506121303 /nfs/dbraw/zinc/12/13/03/506121303.db2.gz APPUIFZZJRXCNN-QGZVFWFLSA-N 2 1 372.431 3.314 20 0 FGADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)Cn3cnc4c3CCCC4)sc2C1 ZINC000579224043 506123192 /nfs/dbraw/zinc/12/31/92/506123192.db2.gz NCWCRWPOPJOEOA-UHFFFAOYSA-N 2 1 373.526 3.014 20 0 FGADMP CC(C)(C)N1CCc2nc(NC(=O)Cn3cnc4c3CCCC4)sc2C1 ZINC000579224043 506123194 /nfs/dbraw/zinc/12/31/94/506123194.db2.gz NCWCRWPOPJOEOA-UHFFFAOYSA-N 2 1 373.526 3.014 20 0 FGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362790 498991626 /nfs/dbraw/zinc/99/16/26/498991626.db2.gz XUEMVKZANZUOAB-PMACEKPBSA-N 2 1 374.525 3.096 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000363814240 499006786 /nfs/dbraw/zinc/00/67/86/499006786.db2.gz FDQMZXLPEATLIX-BAGYTPMASA-N 2 1 360.542 3.115 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877668 499035922 /nfs/dbraw/zinc/03/59/22/499035922.db2.gz DUMFWMDSNIMMMH-OALUTQOASA-N 2 1 371.573 3.448 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000363877668 499035930 /nfs/dbraw/zinc/03/59/30/499035930.db2.gz DUMFWMDSNIMMMH-OALUTQOASA-N 2 1 371.573 3.448 20 0 FGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000366730492 499051946 /nfs/dbraw/zinc/05/19/46/499051946.db2.gz OXVFWDBWJPERTC-CABCVRRESA-N 2 1 357.454 3.191 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)c1ccc2c[nH+]cn2c1 ZINC000284149188 499058013 /nfs/dbraw/zinc/05/80/13/499058013.db2.gz VZBRVDVDZVHDSG-UHFFFAOYSA-N 2 1 370.403 3.007 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000576320783 506129884 /nfs/dbraw/zinc/12/98/84/506129884.db2.gz LTONTQKWGHIFAO-HSZRJFAPSA-N 2 1 350.506 3.148 20 0 FGADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000284286015 499082682 /nfs/dbraw/zinc/08/26/82/499082682.db2.gz JZTXIJOTFOVGLL-DUXKGJEZSA-N 2 1 358.526 3.422 20 0 FGADMP Nc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nc2sc3c(c21)CCCC3 ZINC000333893809 499094339 /nfs/dbraw/zinc/09/43/39/499094339.db2.gz XTYGKQPMDVDAND-OAHLLOKOSA-N 2 1 371.554 3.116 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000364165783 499126502 /nfs/dbraw/zinc/12/65/02/499126502.db2.gz GXWAZFFFDOXQKY-SFHVURJKSA-N 2 1 363.550 3.132 20 0 FGADMP CC(C)[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000570279934 506132210 /nfs/dbraw/zinc/13/22/10/506132210.db2.gz RQMGUYKYAYWZAA-GIVPXCGWSA-N 2 1 357.542 3.006 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000369872921 499143135 /nfs/dbraw/zinc/14/31/35/499143135.db2.gz QLJDZNUEYXFYTQ-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872921 499143139 /nfs/dbraw/zinc/14/31/39/499143139.db2.gz QLJDZNUEYXFYTQ-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872921 499143140 /nfs/dbraw/zinc/14/31/40/499143140.db2.gz QLJDZNUEYXFYTQ-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000367092755 499147447 /nfs/dbraw/zinc/14/74/47/499147447.db2.gz HEJPBTXLDYDAQM-IEBWSBKVSA-N 2 1 351.560 3.458 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000369927233 499153247 /nfs/dbraw/zinc/15/32/47/499153247.db2.gz LWKIOVHFKAZORG-QAPCUYQASA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369927233 499153249 /nfs/dbraw/zinc/15/32/49/499153249.db2.gz LWKIOVHFKAZORG-QAPCUYQASA-N 2 1 360.527 3.267 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000369953091 499156787 /nfs/dbraw/zinc/15/67/87/499156787.db2.gz WHNSREPXBBGGFW-SFHVURJKSA-N 2 1 372.944 3.490 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000369953091 499156788 /nfs/dbraw/zinc/15/67/88/499156788.db2.gz WHNSREPXBBGGFW-SFHVURJKSA-N 2 1 372.944 3.490 20 0 FGADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274814 499171853 /nfs/dbraw/zinc/17/18/53/499171853.db2.gz PGPCQQNTIFOISX-MOPGFXCFSA-N 2 1 355.526 3.097 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274814 499171856 /nfs/dbraw/zinc/17/18/56/499171856.db2.gz PGPCQQNTIFOISX-MOPGFXCFSA-N 2 1 355.526 3.097 20 0 FGADMP COc1cc([C@H]2CCC[N@@H+]2CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000372834406 499182214 /nfs/dbraw/zinc/18/22/14/499182214.db2.gz BZSQUJKAYJJHMA-QGZVFWFLSA-N 2 1 359.470 3.445 20 0 FGADMP COc1cc([C@H]2CCC[N@H+]2CCCn2cc[nH+]c2C)cc(OC)c1OC ZINC000372834406 499182218 /nfs/dbraw/zinc/18/22/18/499182218.db2.gz BZSQUJKAYJJHMA-QGZVFWFLSA-N 2 1 359.470 3.445 20 0 FGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000367346363 499185587 /nfs/dbraw/zinc/18/55/87/499185587.db2.gz KFRUWJSZVFKXTR-OAQYLSRUSA-N 2 1 366.509 3.059 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1OC ZINC000370163829 499191158 /nfs/dbraw/zinc/19/11/58/499191158.db2.gz UHDQTJDSNZZZAB-SCLBCKFNSA-N 2 1 374.510 3.395 20 0 FGADMP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000367423715 499197386 /nfs/dbraw/zinc/19/73/86/499197386.db2.gz WMIJXMNZAOXBLC-UHFFFAOYSA-N 2 1 371.481 3.208 20 0 FGADMP Ic1cccc(CNCc2cnc3n2CCCC3)c1 ZINC000370261455 499203300 /nfs/dbraw/zinc/20/33/00/499203300.db2.gz MLRJUIQEOHXSBX-UHFFFAOYSA-N 2 1 367.234 3.114 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000370298247 499207137 /nfs/dbraw/zinc/20/71/37/499207137.db2.gz DJCQWADJZPJXIH-SJORKVTESA-N 2 1 363.550 3.157 20 0 FGADMP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000367522312 499208649 /nfs/dbraw/zinc/20/86/49/499208649.db2.gz DSUPHQRHODLIJH-HIEASXQVSA-N 2 1 351.535 3.286 20 0 FGADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000367592825 499215956 /nfs/dbraw/zinc/21/59/56/499215956.db2.gz GWDGOQHNUYKWSF-CTNGQTDRSA-N 2 1 370.541 3.273 20 0 FGADMP Fc1cncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncc(F)c2)CC3)c1 ZINC000370673959 499243056 /nfs/dbraw/zinc/24/30/56/499243056.db2.gz RAWPEOWGUUUQQH-UHFFFAOYSA-N 2 1 358.436 3.243 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773612 499253099 /nfs/dbraw/zinc/25/30/99/499253099.db2.gz OXGXKOXCHMHSQK-RHSMWYFYSA-N 2 1 371.447 3.332 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000370772363 499253301 /nfs/dbraw/zinc/25/33/01/499253301.db2.gz KXQMKGQKAYHQQW-XXGVUKKKSA-N 2 1 363.505 3.084 20 0 FGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)ccc1OC ZINC000368100535 499264319 /nfs/dbraw/zinc/26/43/19/499264319.db2.gz HTOVSMOKMIGGOL-CRAIPNDOSA-N 2 1 356.514 3.468 20 0 FGADMP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000368101922 499264475 /nfs/dbraw/zinc/26/44/75/499264475.db2.gz LQYAVKQBNLCZCD-YRPNKDGESA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000368101922 499264477 /nfs/dbraw/zinc/26/44/77/499264477.db2.gz LQYAVKQBNLCZCD-YRPNKDGESA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000368101922 499264479 /nfs/dbraw/zinc/26/44/79/499264479.db2.gz LQYAVKQBNLCZCD-YRPNKDGESA-N 2 1 350.510 3.157 20 0 FGADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccn4ccnc4c3)C[C@@H]2[C@H]1c1ccccc1 ZINC000368116578 499265834 /nfs/dbraw/zinc/26/58/34/499265834.db2.gz XCWPBCNAWJNFPU-IMFGXOCKSA-N 2 1 361.449 3.101 20 0 FGADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153846 499269640 /nfs/dbraw/zinc/26/96/40/499269640.db2.gz WHXAIMABBWWLQY-APWZRJJASA-N 2 1 368.481 3.120 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153846 499269641 /nfs/dbraw/zinc/26/96/41/499269641.db2.gz WHXAIMABBWWLQY-APWZRJJASA-N 2 1 368.481 3.120 20 0 FGADMP COCCn1cc2c(n1)[C@H](N[C@H](C)c1ccc(-n3ccnc3)cc1)CCC2 ZINC000368187708 499272788 /nfs/dbraw/zinc/27/27/88/499272788.db2.gz HYNHNDSTXZFURX-OXQOHEQNSA-N 2 1 365.481 3.443 20 0 FGADMP CCOc1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000371083779 499287069 /nfs/dbraw/zinc/28/70/69/499287069.db2.gz DPODKZLIRJOTDF-UHFFFAOYSA-N 2 1 373.541 3.011 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(Cl)cc3)CC2)CC1 ZINC000371088597 499287405 /nfs/dbraw/zinc/28/74/05/499287405.db2.gz OGNZEEJQGOVEGL-UHFFFAOYSA-N 2 1 363.933 3.266 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@H]3C)cc(=O)oc2c1 ZINC000368417924 499293994 /nfs/dbraw/zinc/29/39/94/499293994.db2.gz VEKOOQNLLSVGHN-IMFGXOCKSA-N 2 1 370.493 3.080 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@H]3C)cc(=O)oc2c1 ZINC000368417924 499293996 /nfs/dbraw/zinc/29/39/96/499293996.db2.gz VEKOOQNLLSVGHN-IMFGXOCKSA-N 2 1 370.493 3.080 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371258320 499303282 /nfs/dbraw/zinc/30/32/82/499303282.db2.gz NGSXPUJEKBKHJA-ADDNLYQESA-N 2 1 364.505 3.117 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000371258320 499303284 /nfs/dbraw/zinc/30/32/84/499303284.db2.gz NGSXPUJEKBKHJA-ADDNLYQESA-N 2 1 364.505 3.117 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccccn4)c3)C2)CC1 ZINC000371330565 499311274 /nfs/dbraw/zinc/31/12/74/499311274.db2.gz BZWZBSGTAHKFPY-JOCHJYFZSA-N 2 1 364.537 3.349 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc12 ZINC000371332355 499311676 /nfs/dbraw/zinc/31/16/76/499311676.db2.gz ORODBCCWOPNXOY-HXUWFJFHSA-N 2 1 367.537 3.449 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371466611 499330753 /nfs/dbraw/zinc/33/07/53/499330753.db2.gz QNLOAAASYMUWET-HSALFYBXSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371466611 499330755 /nfs/dbraw/zinc/33/07/55/499330755.db2.gz QNLOAAASYMUWET-HSALFYBXSA-N 2 1 354.498 3.069 20 0 FGADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000371489990 499333671 /nfs/dbraw/zinc/33/36/71/499333671.db2.gz UGRQWPFNLMWDSF-DHIUTWEWSA-N 2 1 364.537 3.253 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514897 499336759 /nfs/dbraw/zinc/33/67/59/499336759.db2.gz QTEMSFAKMBODGT-NBHGPNQESA-N 2 1 362.481 3.006 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccoc1C1CC1 ZINC000369205461 499377250 /nfs/dbraw/zinc/37/72/50/499377250.db2.gz RYYAIXWAFUNUOS-UHFFFAOYSA-N 2 1 373.541 3.425 20 0 FGADMP Cc1ccc([C@@H](C)N(C)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369363258 499395701 /nfs/dbraw/zinc/39/57/01/499395701.db2.gz KJCSAXZFWSLUCR-RTBURBONSA-N 2 1 372.557 3.174 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000372079897 499396605 /nfs/dbraw/zinc/39/66/05/499396605.db2.gz JBVHVUVXEACUQU-GOSISDBHSA-N 2 1 355.526 3.371 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000372255625 499414178 /nfs/dbraw/zinc/41/41/78/499414178.db2.gz RJKWNBQEKDVMPT-UHFFFAOYSA-N 2 1 352.482 3.265 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000369545709 499415295 /nfs/dbraw/zinc/41/52/95/499415295.db2.gz JGRNHPZOQSEVPA-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348723 499423768 /nfs/dbraw/zinc/42/37/68/499423768.db2.gz QSRVMQPSTUMWDZ-QUCCMNQESA-N 2 1 366.509 3.219 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1coc(-c2cccc(F)c2)n1 ZINC000373447982 499470224 /nfs/dbraw/zinc/47/02/24/499470224.db2.gz LYQOBJNZOQZMRQ-UIAACRFSSA-N 2 1 373.472 3.460 20 0 FGADMP CCc1ccccc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378191420 499488914 /nfs/dbraw/zinc/48/89/14/499488914.db2.gz PKLIBQPIPRXTPN-UHFFFAOYSA-N 2 1 357.542 3.175 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]Cc3cnc(C(C)(C)C)nc3)CC2)CC1 ZINC000375325326 499507461 /nfs/dbraw/zinc/50/74/61/499507461.db2.gz ZCBBEKFJSUXOIH-UHFFFAOYSA-N 3 1 373.589 3.060 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375358006 499510469 /nfs/dbraw/zinc/51/04/69/499510469.db2.gz USQMCCBVMWDUGW-ADHNFCLRSA-N 2 1 355.570 3.455 20 0 FGADMP O=C1O[C@@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428037 499517558 /nfs/dbraw/zinc/51/75/58/499517558.db2.gz WMPUCDNTMCAZOE-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428037 499517559 /nfs/dbraw/zinc/51/75/59/499517559.db2.gz WMPUCDNTMCAZOE-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428037 499517561 /nfs/dbraw/zinc/51/75/61/499517561.db2.gz WMPUCDNTMCAZOE-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428037 499517562 /nfs/dbraw/zinc/51/75/62/499517562.db2.gz WMPUCDNTMCAZOE-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000375484775 499524420 /nfs/dbraw/zinc/52/44/20/499524420.db2.gz DHESSJJBNLBQMS-IIAWOOMASA-N 2 1 368.308 3.315 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383806470 499547225 /nfs/dbraw/zinc/54/72/25/499547225.db2.gz ZXLRQKVQJGDQNL-HMXCVIKNSA-N 2 1 369.553 3.278 20 0 FGADMP C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375748892 499551352 /nfs/dbraw/zinc/55/13/52/499551352.db2.gz ASAVHJMDFDTADA-QXULXFAOSA-N 2 1 373.324 3.290 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000390951425 499555987 /nfs/dbraw/zinc/55/59/87/499555987.db2.gz WTPHULGTZYKEEA-LQCXBHPOSA-N 2 1 366.505 3.212 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ncc[nH]2)C2CCCCC2)ccn1 ZINC000375895206 499565855 /nfs/dbraw/zinc/56/58/55/499565855.db2.gz KIZNKLOURLHARL-IBGZPJMESA-N 2 1 357.502 3.156 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(=O)[nH]n1 ZINC000375894662 499565913 /nfs/dbraw/zinc/56/59/13/499565913.db2.gz GAQOJDDBFPOWRD-ZNWBIBPKSA-N 2 1 352.482 3.134 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(=O)[nH]n1 ZINC000375894662 499565914 /nfs/dbraw/zinc/56/59/14/499565914.db2.gz GAQOJDDBFPOWRD-ZNWBIBPKSA-N 2 1 352.482 3.134 20 0 FGADMP COC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCOCC1 ZINC000375946661 499570502 /nfs/dbraw/zinc/57/05/02/499570502.db2.gz IIMGFAAEGMMOTD-NRFANRHFSA-N 2 1 358.526 3.170 20 0 FGADMP COC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCOCC1 ZINC000375946661 499570504 /nfs/dbraw/zinc/57/05/04/499570504.db2.gz IIMGFAAEGMMOTD-NRFANRHFSA-N 2 1 358.526 3.170 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC000376389570 499604854 /nfs/dbraw/zinc/60/48/54/499604854.db2.gz XPBDQVKWDAOAIW-UHFFFAOYSA-N 2 1 354.498 3.163 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(CCc4ccccc4)no3)C2)CC1 ZINC000376389570 499604855 /nfs/dbraw/zinc/60/48/55/499604855.db2.gz XPBDQVKWDAOAIW-UHFFFAOYSA-N 2 1 354.498 3.163 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417072 499607330 /nfs/dbraw/zinc/60/73/30/499607330.db2.gz WLWXAYGQBROETK-KBAYOESNSA-N 2 1 368.468 3.310 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000410091929 499640730 /nfs/dbraw/zinc/64/07/30/499640730.db2.gz WQNWANFASCXCRS-UXHICEINSA-N 2 1 362.477 3.344 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000410354434 499657176 /nfs/dbraw/zinc/65/71/76/499657176.db2.gz QAXGGSFDQKBAST-IBGZPJMESA-N 2 1 372.557 3.154 20 0 FGADMP Cn1cc[nH+]c1[C@@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000377265615 499675215 /nfs/dbraw/zinc/67/52/15/499675215.db2.gz GHUULYKVDACYCD-GFCCVEGCSA-N 2 1 359.380 3.128 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000573262536 506156266 /nfs/dbraw/zinc/15/62/66/506156266.db2.gz JHWIYCGSYLJOBL-OALUTQOASA-N 2 1 357.885 3.016 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000573262536 506156268 /nfs/dbraw/zinc/15/62/68/506156268.db2.gz JHWIYCGSYLJOBL-OALUTQOASA-N 2 1 357.885 3.016 20 0 FGADMP COc1ccc(O)cc1[C@H](C)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377641342 499714053 /nfs/dbraw/zinc/71/40/53/499714053.db2.gz DHNNVGKPRODSNQ-WMZOPIPTSA-N 2 1 355.482 3.359 20 0 FGADMP COc1ccc(O)cc1[C@H](C)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377641342 499714054 /nfs/dbraw/zinc/71/40/54/499714054.db2.gz DHNNVGKPRODSNQ-WMZOPIPTSA-N 2 1 355.482 3.359 20 0 FGADMP COc1cc([C@@H](C)[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1F ZINC000377649357 499715310 /nfs/dbraw/zinc/71/53/10/499715310.db2.gz MHKOWVVAEFCPRH-OAHLLOKOSA-N 2 1 350.478 3.471 20 0 FGADMP COc1cc([C@@H](C)[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1F ZINC000377649357 499715312 /nfs/dbraw/zinc/71/53/12/499715312.db2.gz MHKOWVVAEFCPRH-OAHLLOKOSA-N 2 1 350.478 3.471 20 0 FGADMP COC(=O)C[C@@H]1CSCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411340982 499727637 /nfs/dbraw/zinc/72/76/37/499727637.db2.gz BNIXIZNCPWZKDC-LJQANCHMSA-N 2 1 362.539 3.153 20 0 FGADMP c1cn(C[C@@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)nn1 ZINC000411391842 499733181 /nfs/dbraw/zinc/73/31/81/499733181.db2.gz BVFJIJNJVAYGEM-OAQYLSRUSA-N 2 1 353.514 3.176 20 0 FGADMP COC(=O)c1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000411429564 499739352 /nfs/dbraw/zinc/73/93/52/499739352.db2.gz RDKNZGXGCCCPHM-UHFFFAOYSA-N 2 1 359.495 3.278 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000411443290 499741049 /nfs/dbraw/zinc/74/10/49/499741049.db2.gz LRJRKWYENKQWJC-UHFFFAOYSA-N 2 1 360.889 3.493 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CCc1nc(-c3cccc(Cl)c3)no1)CC2 ZINC000411443290 499741051 /nfs/dbraw/zinc/74/10/51/499741051.db2.gz LRJRKWYENKQWJC-UHFFFAOYSA-N 2 1 360.889 3.493 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000411470265 499744528 /nfs/dbraw/zinc/74/45/28/499744528.db2.gz OCBXQJYMOLZYEW-CYBMUJFWSA-N 2 1 355.885 3.119 20 0 FGADMP O=C1[C@H](N2CCC(CCCn3ccnc3)CC2)CCN1c1ccc(F)cc1 ZINC000411507151 499749056 /nfs/dbraw/zinc/74/90/56/499749056.db2.gz REYVWEMHRXQDCI-HXUWFJFHSA-N 2 1 370.472 3.320 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000377983578 499753028 /nfs/dbraw/zinc/75/30/28/499753028.db2.gz BADJTAYMRFAZEP-SESVDKBCSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000377983578 499753030 /nfs/dbraw/zinc/75/30/30/499753030.db2.gz BADJTAYMRFAZEP-SESVDKBCSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000377983578 499753032 /nfs/dbraw/zinc/75/30/32/499753032.db2.gz BADJTAYMRFAZEP-SESVDKBCSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(c2c[nH]cn2)CC1 ZINC000378051850 499756233 /nfs/dbraw/zinc/75/62/33/499756233.db2.gz CGNMUGFRWNDDMK-HILYYZTDSA-N 2 1 356.514 3.063 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000414160270 499764906 /nfs/dbraw/zinc/76/49/06/499764906.db2.gz ZLHZMAJLNOKIEH-INIZCTEOSA-N 2 1 354.498 3.153 20 0 FGADMP CC(CC[NH+]1CCc2ncsc2C1)CC[N@H+]1CCc2ncsc2C1 ZINC000411602053 499767907 /nfs/dbraw/zinc/76/79/07/499767907.db2.gz BKWNYKNHKRLTLW-UHFFFAOYSA-N 2 1 362.568 3.432 20 0 FGADMP CCN1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1c1ncc[nH]1 ZINC000411658398 499774218 /nfs/dbraw/zinc/77/42/18/499774218.db2.gz LTIWLWGQFOPXSX-OAQYLSRUSA-N 2 1 367.541 3.274 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC2(CCOCC2)O1 ZINC000411678495 499776548 /nfs/dbraw/zinc/77/65/48/499776548.db2.gz SFBTUPXGSMFOCH-IBGZPJMESA-N 2 1 358.526 3.442 20 0 FGADMP CCC[N@H+](Cc1ccc(C)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414392453 499785820 /nfs/dbraw/zinc/78/58/20/499785820.db2.gz GBCQFCALTCGLCI-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CCC[N@@H+](Cc1ccc(C)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414392453 499785822 /nfs/dbraw/zinc/78/58/22/499785822.db2.gz GBCQFCALTCGLCI-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414407019 499787619 /nfs/dbraw/zinc/78/76/19/499787619.db2.gz JXULLVCFYCSLMA-OAQYLSRUSA-N 2 1 374.504 3.253 20 0 FGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000411880449 499799252 /nfs/dbraw/zinc/79/92/52/499799252.db2.gz TUXVYNSNBCLVJN-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000576443108 506159853 /nfs/dbraw/zinc/15/98/53/506159853.db2.gz IHNHXFOVQLQIHI-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000412046908 499816803 /nfs/dbraw/zinc/81/68/03/499816803.db2.gz RWCZIWUAQRHQIQ-MRXNPFEDSA-N 2 1 361.555 3.294 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(C4CCCC4)nc3-c3ccccn3)C[C@@H]12 ZINC000414670766 499819109 /nfs/dbraw/zinc/81/91/09/499819109.db2.gz MRYBSYNYOAJBCB-ATZDWAIDSA-N 2 1 351.498 3.229 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)C1 ZINC000414674612 499819431 /nfs/dbraw/zinc/81/94/31/499819431.db2.gz KVBZWGSZNJRDJR-GOSISDBHSA-N 2 1 351.494 3.002 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc3ccccc32)C1 ZINC000414683483 499820180 /nfs/dbraw/zinc/82/01/80/499820180.db2.gz BGUVHNFOSZTNLF-DYESRHJHSA-N 2 1 351.494 3.174 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695186 499820974 /nfs/dbraw/zinc/82/09/74/499820974.db2.gz OIAIQVXMNHBCEH-INIZCTEOSA-N 2 1 363.933 3.282 20 0 FGADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(OC(F)F)cc1C ZINC000414781641 499830546 /nfs/dbraw/zinc/83/05/46/499830546.db2.gz NJASQPLTRXSNTI-INIZCTEOSA-N 2 1 354.441 3.092 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000414789568 499831329 /nfs/dbraw/zinc/83/13/29/499831329.db2.gz OJVKRVZWZKZQEQ-UHFFFAOYSA-N 2 1 357.292 3.088 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412209747 499834309 /nfs/dbraw/zinc/83/43/09/499834309.db2.gz YGUKLJMLEGPMOV-UHFFFAOYSA-N 2 1 354.498 3.340 20 0 FGADMP FC(F)Oc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831160 499835258 /nfs/dbraw/zinc/83/52/58/499835258.db2.gz PPNLQPFAZFAGKD-FUNVUKJBSA-N 2 1 361.230 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000414914324 499844167 /nfs/dbraw/zinc/84/41/67/499844167.db2.gz XYBYJMJIIQYJCM-WBVHZDCISA-N 2 1 355.486 3.256 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH2+]1 ZINC000414957235 499848674 /nfs/dbraw/zinc/84/86/74/499848674.db2.gz VYDKYVKDDMDWPO-CXAGYDPISA-N 2 1 352.404 3.180 20 0 FGADMP Cn1c(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)nc2ccccc21 ZINC000415002801 499853902 /nfs/dbraw/zinc/85/39/02/499853902.db2.gz MLPBOTGVRWBGOA-FUHWJXTLSA-N 2 1 352.457 3.195 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415043100 499857658 /nfs/dbraw/zinc/85/76/58/499857658.db2.gz ADUQQRDYQKAMSK-KDOFPFPSSA-N 2 1 351.922 3.184 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415065883 499860346 /nfs/dbraw/zinc/86/03/46/499860346.db2.gz NXHJKXNDLIERJS-KBXCAEBGSA-N 2 1 351.922 3.184 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000415072270 499861044 /nfs/dbraw/zinc/86/10/44/499861044.db2.gz VZGWKDPABQFTLZ-OCCSQVGLSA-N 2 1 359.392 3.034 20 0 FGADMP c1ccc([C@@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091538 499862417 /nfs/dbraw/zinc/86/24/17/499862417.db2.gz QQSIYCACODWEDC-RJGXRXQPSA-N 2 1 365.521 3.143 20 0 FGADMP Cc1cccc2c1C[NH2+]CCN2Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000415098731 499863342 /nfs/dbraw/zinc/86/33/42/499863342.db2.gz JGKBAFYNWGRHIK-UHFFFAOYSA-N 2 1 356.539 3.328 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104517 499864008 /nfs/dbraw/zinc/86/40/08/499864008.db2.gz HAZHHMKHAPFCGT-LJEORUCFSA-N 2 1 352.478 3.328 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104517 499864010 /nfs/dbraw/zinc/86/40/10/499864010.db2.gz HAZHHMKHAPFCGT-LJEORUCFSA-N 2 1 352.478 3.328 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000415112919 499865479 /nfs/dbraw/zinc/86/54/79/499865479.db2.gz SUQIRHLGEOLPQQ-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)CCCO1 ZINC000415117047 499865561 /nfs/dbraw/zinc/86/55/61/499865561.db2.gz ZHAVFZHYORUCDK-IBGZPJMESA-N 2 1 360.885 3.469 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)CCCO1 ZINC000415117047 499865563 /nfs/dbraw/zinc/86/55/63/499865563.db2.gz ZHAVFZHYORUCDK-IBGZPJMESA-N 2 1 360.885 3.469 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1C[NH3+] ZINC000415123194 499866483 /nfs/dbraw/zinc/86/64/83/499866483.db2.gz JEBSBURDQUQRNM-HKUYNNGSSA-N 2 1 361.493 3.351 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122874 499866614 /nfs/dbraw/zinc/86/66/14/499866614.db2.gz IUXVHCIUWYJDKC-QFBILLFUSA-N 2 1 355.482 3.086 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886443 499924422 /nfs/dbraw/zinc/92/44/22/499924422.db2.gz UXWLBMUGRYFCOJ-ZWKOTPCHSA-N 2 1 370.541 3.451 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415945147 499931922 /nfs/dbraw/zinc/93/19/22/499931922.db2.gz QWODTLAJTOCXPX-HXUWFJFHSA-N 2 1 352.482 3.192 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@H](C)C1 ZINC000415954623 499932976 /nfs/dbraw/zinc/93/29/76/499932976.db2.gz KXFLEDOOJAOKHK-WBMJQRKESA-N 2 1 372.435 3.358 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)Nc3c(C)cccc3OC)CC2)CC1 ZINC000421115997 499960504 /nfs/dbraw/zinc/96/05/04/499960504.db2.gz XLJZWEOROQKNJK-UHFFFAOYSA-N 2 1 374.529 3.028 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3c(C)cccc3OC)CC2)CC1 ZINC000421115997 499960509 /nfs/dbraw/zinc/96/05/09/499960509.db2.gz XLJZWEOROQKNJK-UHFFFAOYSA-N 2 1 374.529 3.028 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000416171838 499967418 /nfs/dbraw/zinc/96/74/18/499967418.db2.gz SKSFEDKTJFGITO-FQEVSTJZSA-N 2 1 357.473 3.067 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417103367 499973534 /nfs/dbraw/zinc/97/35/34/499973534.db2.gz DAQCPBOGDGEBGV-UWJYYQICSA-N 2 1 366.509 3.170 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000582252196 506168938 /nfs/dbraw/zinc/16/89/38/506168938.db2.gz ZAANWTAPUYTXDX-AWEZNQCLSA-N 2 1 356.470 3.495 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)c1 ZINC000417399442 500061307 /nfs/dbraw/zinc/06/13/07/500061307.db2.gz IGTBJSNJVUOCDI-SFTDATJTSA-N 2 1 372.557 3.202 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3CN(c4ccnc(N5CCCCC5)n4)C[C@@H]32)cc1 ZINC000425272268 500061950 /nfs/dbraw/zinc/06/19/50/500061950.db2.gz FQJDMQMSINPIQC-UXHICEINSA-N 2 1 363.509 3.178 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486920 500086286 /nfs/dbraw/zinc/08/62/86/500086286.db2.gz HHDPZDGRLIHYFG-FOIQADDNSA-N 2 1 355.457 3.126 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486920 500086290 /nfs/dbraw/zinc/08/62/90/500086290.db2.gz HHDPZDGRLIHYFG-FOIQADDNSA-N 2 1 355.457 3.126 20 0 FGADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000573339640 506175086 /nfs/dbraw/zinc/17/50/86/506175086.db2.gz RLLWQLKGXOKHSX-NHCUHLMSSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000429519381 500091996 /nfs/dbraw/zinc/09/19/96/500091996.db2.gz VWRMRJVEMCNIRQ-UTKZUKDTSA-N 2 1 351.494 3.377 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000413905173 500092331 /nfs/dbraw/zinc/09/23/31/500092331.db2.gz WHAWFPYMIQRUJI-LJQANCHMSA-N 2 1 359.445 3.008 20 0 FGADMP COC(=O)[C@H](CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414303 500098333 /nfs/dbraw/zinc/09/83/33/500098333.db2.gz FTICISHXRUZRTM-AZUAARDMSA-N 2 1 367.493 3.471 20 0 FGADMP COC(=O)[C@H](CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414303 500098338 /nfs/dbraw/zinc/09/83/38/500098338.db2.gz FTICISHXRUZRTM-AZUAARDMSA-N 2 1 367.493 3.471 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555237 500101202 /nfs/dbraw/zinc/10/12/02/500101202.db2.gz VVICAZIXGQWXGF-KGLIPLIRSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555237 500101204 /nfs/dbraw/zinc/10/12/04/500101204.db2.gz VVICAZIXGQWXGF-KGLIPLIRSA-N 2 1 361.313 3.149 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458629 500112013 /nfs/dbraw/zinc/11/20/13/500112013.db2.gz MQSLAZIDBVFOTG-LJQANCHMSA-N 2 1 358.530 3.019 20 0 FGADMP C[C@@H](CNC(=O)N(CCC[NH3+])Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417578066 500114857 /nfs/dbraw/zinc/11/48/57/500114857.db2.gz KMRKVPOMCISYGX-IBGZPJMESA-N 2 1 368.525 3.068 20 0 FGADMP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000417581603 500116369 /nfs/dbraw/zinc/11/63/69/500116369.db2.gz TXHDXMGUFBAEPQ-MAUKXSAKSA-N 2 1 366.937 3.121 20 0 FGADMP C[N@H+]1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682239 500123469 /nfs/dbraw/zinc/12/34/69/500123469.db2.gz FZVCGJQOGKQEEO-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682239 500123473 /nfs/dbraw/zinc/12/34/73/500123473.db2.gz FZVCGJQOGKQEEO-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP C[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C2(CCCCC2)C1 ZINC000429682239 500123477 /nfs/dbraw/zinc/12/34/77/500123477.db2.gz FZVCGJQOGKQEEO-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP Cc1ccc([C@@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000573355149 506178219 /nfs/dbraw/zinc/17/82/19/506178219.db2.gz SMGRZOGFJQAVEE-PZJWPPBQSA-N 2 1 372.534 3.220 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000414065629 500142534 /nfs/dbraw/zinc/14/25/34/500142534.db2.gz GFHLXSLBXDIQPR-GHTZIAJQSA-N 2 1 353.510 3.175 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000573355148 506178732 /nfs/dbraw/zinc/17/87/32/506178732.db2.gz SMGRZOGFJQAVEE-FPOVZHCZSA-N 2 1 372.534 3.220 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416968837 500169660 /nfs/dbraw/zinc/16/96/60/500169660.db2.gz ATZWMJXJPPOOJM-UIFIKXQLSA-N 2 1 370.541 3.097 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416970124 500170062 /nfs/dbraw/zinc/17/00/62/500170062.db2.gz MTONODFEDALZRC-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000416970173 500170091 /nfs/dbraw/zinc/17/00/91/500170091.db2.gz MVXRRGROTDWJBX-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)C1 ZINC000417001206 500180883 /nfs/dbraw/zinc/18/08/83/500180883.db2.gz ZOHCNIMDMURZBF-NYUBLWNDSA-N 2 1 372.557 3.043 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1 ZINC000417850300 500183579 /nfs/dbraw/zinc/18/35/79/500183579.db2.gz DWQLXQHCBLHFKX-YZVOILCLSA-N 2 1 355.486 3.153 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369246 506181539 /nfs/dbraw/zinc/18/15/39/506181539.db2.gz ADDVDBDAVQXSCV-XLIONFOSSA-N 2 1 357.542 3.071 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000430129311 500196973 /nfs/dbraw/zinc/19/69/73/500196973.db2.gz UXFMJTGAAYBLHU-INIZCTEOSA-N 2 1 365.456 3.426 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000430129311 500196977 /nfs/dbraw/zinc/19/69/77/500196977.db2.gz UXFMJTGAAYBLHU-INIZCTEOSA-N 2 1 365.456 3.426 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000430128664 500197199 /nfs/dbraw/zinc/19/71/99/500197199.db2.gz YTSZJOIISIJGEJ-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000430128664 500197203 /nfs/dbraw/zinc/19/72/03/500197203.db2.gz YTSZJOIISIJGEJ-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000430128664 500197204 /nfs/dbraw/zinc/19/72/04/500197204.db2.gz YTSZJOIISIJGEJ-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000430128664 500197207 /nfs/dbraw/zinc/19/72/07/500197207.db2.gz YTSZJOIISIJGEJ-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417919343 500198242 /nfs/dbraw/zinc/19/82/42/500198242.db2.gz FSSAAMLZUKTVGS-HLAWJBBLSA-N 2 1 374.573 3.302 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417923207 500198771 /nfs/dbraw/zinc/19/87/71/500198771.db2.gz KLMYVWYJJSJPFT-MISYRCLQSA-N 2 1 360.546 3.104 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472097 506182552 /nfs/dbraw/zinc/18/25/52/506182552.db2.gz AEDNCSGNHCDAQY-SFTDATJTSA-N 3 1 359.558 3.130 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472097 506182554 /nfs/dbraw/zinc/18/25/54/506182554.db2.gz AEDNCSGNHCDAQY-SFTDATJTSA-N 3 1 359.558 3.130 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417998095 500211766 /nfs/dbraw/zinc/21/17/66/500211766.db2.gz HYORHPIJCMOAFL-CVEARBPZSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417998095 500211768 /nfs/dbraw/zinc/21/17/68/500211768.db2.gz HYORHPIJCMOAFL-CVEARBPZSA-N 2 1 370.900 3.039 20 0 FGADMP COCC[C@@H](c1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958035 500216676 /nfs/dbraw/zinc/21/66/76/500216676.db2.gz LGNUBGRHKVZNIH-XZOQPEGZSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958035 500216677 /nfs/dbraw/zinc/21/66/77/500216677.db2.gz LGNUBGRHKVZNIH-XZOQPEGZSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958035 500216679 /nfs/dbraw/zinc/21/66/79/500216679.db2.gz LGNUBGRHKVZNIH-XZOQPEGZSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958035 500216680 /nfs/dbraw/zinc/21/66/80/500216680.db2.gz LGNUBGRHKVZNIH-XZOQPEGZSA-N 2 1 368.521 3.333 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579474975 506183536 /nfs/dbraw/zinc/18/35/36/506183536.db2.gz YXUJUPXUNIRJDY-JQFCIGGWSA-N 2 1 370.324 3.011 20 0 FGADMP CC(C)c1ccc(-c2noc(C[NH+]3CCC(OCCC[NH3+])CC3)n2)cc1 ZINC000430566021 500255514 /nfs/dbraw/zinc/25/55/14/500255514.db2.gz BCJAVWLVAWNDSW-UHFFFAOYSA-N 2 1 358.486 3.190 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430615274 500262062 /nfs/dbraw/zinc/26/20/62/500262062.db2.gz AYSKEXVOSSVMEZ-DZGCQCFKSA-N 2 1 370.324 3.198 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430627789 500263776 /nfs/dbraw/zinc/26/37/76/500263776.db2.gz NNHAODZQQCBMIV-LJQANCHMSA-N 2 1 365.521 3.214 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418344775 500265585 /nfs/dbraw/zinc/26/55/85/500265585.db2.gz KWIPOAMDSJHBRT-FQEVSTJZSA-N 2 1 366.594 3.166 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1ccc(Cl)o1 ZINC000430670747 500268221 /nfs/dbraw/zinc/26/82/21/500268221.db2.gz ODCJOEQOKZXJOA-UHFFFAOYSA-N 2 1 367.921 3.201 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CCC[NH2+]C1 ZINC000430800938 500287273 /nfs/dbraw/zinc/28/72/73/500287273.db2.gz VRQMQUDJRARZGJ-XFKSJGNHSA-N 2 1 373.541 3.260 20 0 FGADMP [NH3+]C1(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCCC1 ZINC000422703915 500287521 /nfs/dbraw/zinc/28/75/21/500287521.db2.gz JFSJZCAWMSYLNJ-QGZVFWFLSA-N 2 1 358.530 3.271 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422703500 500287923 /nfs/dbraw/zinc/28/79/23/500287923.db2.gz HWJWRMODJUJYTG-OCCSQVGLSA-N 2 1 361.287 3.186 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)c1c[nH+]ccc1N ZINC000422715220 500288519 /nfs/dbraw/zinc/28/85/19/500288519.db2.gz RTNYIUOSQCAMML-CHWSQXEVSA-N 2 1 361.287 3.186 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422728763 500290740 /nfs/dbraw/zinc/29/07/40/500290740.db2.gz GXKUEIZGYKIHPI-WDYCEAGBSA-N 2 1 358.530 3.222 20 0 FGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422745362 500292931 /nfs/dbraw/zinc/29/29/31/500292931.db2.gz UWVWOFBKLGIZRN-DNVJHFABSA-N 2 1 371.569 3.165 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000422745633 500293310 /nfs/dbraw/zinc/29/33/10/500293310.db2.gz MPXOICSOSCCVLY-WLRLJWMZSA-N 2 1 357.542 3.342 20 0 FGADMP CN(C)Cc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746275 500293791 /nfs/dbraw/zinc/29/37/91/500293791.db2.gz NOZZTTJKSZXAAH-IRLDBZIGSA-N 2 1 369.484 3.233 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840637 500295108 /nfs/dbraw/zinc/29/51/08/500295108.db2.gz SZUOIWFMZPFWBF-QKNQBKEWSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840637 500295109 /nfs/dbraw/zinc/29/51/09/500295109.db2.gz SZUOIWFMZPFWBF-QKNQBKEWSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840637 500295111 /nfs/dbraw/zinc/29/51/11/500295111.db2.gz SZUOIWFMZPFWBF-QKNQBKEWSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840637 500295112 /nfs/dbraw/zinc/29/51/12/500295112.db2.gz SZUOIWFMZPFWBF-QKNQBKEWSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H](NC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000422773849 500296635 /nfs/dbraw/zinc/29/66/35/500296635.db2.gz ZKXRSJXRJVOBQW-JKLQHZFJSA-N 2 1 371.569 3.397 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797812 500298652 /nfs/dbraw/zinc/29/86/52/500298652.db2.gz OOOYTYJOAOCRHY-CZTZKLFOSA-N 2 1 355.526 3.096 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC000422797812 500298656 /nfs/dbraw/zinc/29/86/56/500298656.db2.gz OOOYTYJOAOCRHY-CZTZKLFOSA-N 2 1 355.526 3.096 20 0 FGADMP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)c1c[nH+]ccc1N ZINC000422820153 500301938 /nfs/dbraw/zinc/30/19/38/500301938.db2.gz PEHVWSDYTQGOHA-SFHVURJKSA-N 3 1 368.525 3.216 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672625 500304841 /nfs/dbraw/zinc/30/48/41/500304841.db2.gz SBIROOONAGJOGC-FYYLOGMGSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672625 500304843 /nfs/dbraw/zinc/30/48/43/500304843.db2.gz SBIROOONAGJOGC-FYYLOGMGSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672625 500304844 /nfs/dbraw/zinc/30/48/44/500304844.db2.gz SBIROOONAGJOGC-FYYLOGMGSA-N 2 1 367.537 3.128 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430921157 500307449 /nfs/dbraw/zinc/30/74/49/500307449.db2.gz XGQFZRRRPUTMBA-QWHCGFSZSA-N 2 1 353.894 3.043 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874800 500308695 /nfs/dbraw/zinc/30/86/95/500308695.db2.gz DFDVXLDVVNJIAC-CBJMIOPYSA-N 3 1 359.558 3.006 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(Br)c1 ZINC000422929866 500318193 /nfs/dbraw/zinc/31/81/93/500318193.db2.gz AHEMQHRFKQTQSU-KSSFIOAISA-N 2 1 363.299 3.376 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(Br)c1 ZINC000422929862 500318252 /nfs/dbraw/zinc/31/82/52/500318252.db2.gz AHEMQHRFKQTQSU-KBXCAEBGSA-N 2 1 363.299 3.376 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(Br)c1 ZINC000422929867 500318291 /nfs/dbraw/zinc/31/82/91/500318291.db2.gz AHEMQHRFKQTQSU-RDTXWAMCSA-N 2 1 363.299 3.376 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H](Cc3ccccc3)[C@H](C)[NH3+])cc2)CC1 ZINC000422927669 500318328 /nfs/dbraw/zinc/31/83/28/500318328.db2.gz ZNLFWXXMPWSSDK-CVDCTZTESA-N 2 1 366.553 3.195 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418754996 500318789 /nfs/dbraw/zinc/31/87/89/500318789.db2.gz WWBGVDMQWXULFC-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000431014846 500323439 /nfs/dbraw/zinc/32/34/39/500323439.db2.gz QBPUGNKAMVCPPT-GVXRKXQCSA-N 2 1 352.482 3.279 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000431019824 500324303 /nfs/dbraw/zinc/32/43/03/500324303.db2.gz SQWSZKZXZVXKEK-GJYPPUQNSA-N 2 1 354.498 3.384 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccn1 ZINC000422982098 500326567 /nfs/dbraw/zinc/32/65/67/500326567.db2.gz VNIKBVKCRIKMHA-IJXRJRJASA-N 2 1 361.530 3.142 20 0 FGADMP CCC[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000431088705 500334630 /nfs/dbraw/zinc/33/46/30/500334630.db2.gz YHXZPQGFPJZXBS-UHFFFAOYSA-N 2 1 357.420 3.498 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423062036 500337375 /nfs/dbraw/zinc/33/73/75/500337375.db2.gz MGUFDCCOAHWKBS-ARFHVFGLSA-N 2 1 353.304 3.468 20 0 FGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423079782 500340163 /nfs/dbraw/zinc/34/01/63/500340163.db2.gz AVJMEYYCYNIONJ-OIISXLGYSA-N 2 1 352.320 3.148 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423094459 500341231 /nfs/dbraw/zinc/34/12/31/500341231.db2.gz BWQVCBVYIUXPQM-BZUAXINKSA-N 2 1 357.420 3.423 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097109 500341801 /nfs/dbraw/zinc/34/18/01/500341801.db2.gz AJDXTUKLJGOTGK-FDDCHVKYSA-N 3 1 367.537 3.208 20 0 FGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097109 500341802 /nfs/dbraw/zinc/34/18/02/500341802.db2.gz AJDXTUKLJGOTGK-FDDCHVKYSA-N 2 1 367.537 3.208 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423108826 500343369 /nfs/dbraw/zinc/34/33/69/500343369.db2.gz GNJUUVNRUIQGTI-NRSPTQNISA-N 2 1 353.510 3.490 20 0 FGADMP FC(F)(F)[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423130516 500346527 /nfs/dbraw/zinc/34/65/27/500346527.db2.gz GQIUFDXGXAYAAC-TVFCKZIOSA-N 2 1 356.432 3.469 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000423146524 500348348 /nfs/dbraw/zinc/34/83/48/500348348.db2.gz ARLNKSWUABMCDE-RDJZCZTQSA-N 2 1 350.503 3.155 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000423324775 500364823 /nfs/dbraw/zinc/36/48/23/500364823.db2.gz IGQOCOBBNUPSPR-YUCXSWCWSA-N 2 1 374.525 3.098 20 0 FGADMP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423353800 500366903 /nfs/dbraw/zinc/36/69/03/500366903.db2.gz MKGWWSDQQNDJGR-UWJYYQICSA-N 2 1 357.542 3.455 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423366814 500367503 /nfs/dbraw/zinc/36/75/03/500367503.db2.gz CHOOADZIBBIAAK-SBHAEUEKSA-N 2 1 372.534 3.347 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc1 ZINC000423373569 500367990 /nfs/dbraw/zinc/36/79/90/500367990.db2.gz HJXNEGITFKOPSU-HOTGVXAUSA-N 2 1 353.466 3.352 20 0 FGADMP CC1(C)[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1Oc1ccccc1 ZINC000423510315 500380292 /nfs/dbraw/zinc/38/02/92/500380292.db2.gz NLFOMOSLNOBHES-RQWVFBBXSA-N 2 1 357.542 3.039 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423515540 500381321 /nfs/dbraw/zinc/38/13/21/500381321.db2.gz AEHLVYNVQXEYMF-HMSUTVNQSA-N 2 1 372.509 3.043 20 0 FGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423522178 500381593 /nfs/dbraw/zinc/38/15/93/500381593.db2.gz UCWMRZMRMSQMHF-KLAILNCOSA-N 2 1 367.484 3.463 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000423518762 500381795 /nfs/dbraw/zinc/38/17/95/500381795.db2.gz PHVXOJULZBRTIR-OOHWJJMZSA-N 2 1 371.447 3.452 20 0 FGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525044 500382438 /nfs/dbraw/zinc/38/24/38/500382438.db2.gz XTCFYYITPZREOB-BPZDKFOGSA-N 2 1 357.542 3.224 20 0 FGADMP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000423579942 500386903 /nfs/dbraw/zinc/38/69/03/500386903.db2.gz XBOYRCHWAOAUEU-MRXNPFEDSA-N 2 1 358.917 3.379 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000423668222 500393189 /nfs/dbraw/zinc/39/31/89/500393189.db2.gz POEURMUHTLAZCH-NXHRZFHOSA-N 2 1 358.530 3.079 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000431572950 500393913 /nfs/dbraw/zinc/39/39/13/500393913.db2.gz YWVAYRMHUIOONK-QUCCMNQESA-N 2 1 373.541 3.213 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[C@@H](C)[NH3+] ZINC000423810718 500404495 /nfs/dbraw/zinc/40/44/95/500404495.db2.gz BDCPRVHUQVCTLA-GLFJAGTFSA-N 2 1 369.912 3.208 20 0 FGADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810861 500404499 /nfs/dbraw/zinc/40/44/99/500404499.db2.gz NAGDANLXGOWQBE-SJLPKXTDSA-N 2 1 355.885 3.119 20 0 FGADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423810861 500404501 /nfs/dbraw/zinc/40/45/01/500404501.db2.gz NAGDANLXGOWQBE-SJLPKXTDSA-N 2 1 355.885 3.119 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423838648 500410073 /nfs/dbraw/zinc/41/00/73/500410073.db2.gz XSWJJHGMQBLLBI-UXHICEINSA-N 2 1 371.912 3.277 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000423838648 500410077 /nfs/dbraw/zinc/41/00/77/500410077.db2.gz XSWJJHGMQBLLBI-UXHICEINSA-N 2 1 371.912 3.277 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)c3csc(C[NH3+])n3)c2)CC1 ZINC000423847588 500410995 /nfs/dbraw/zinc/41/09/95/500410995.db2.gz PBKCQSNZFOSQDE-UHFFFAOYSA-N 2 1 358.511 3.129 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC([C@H](C)[NH3+])CC3)n2)cc1 ZINC000420282601 500433755 /nfs/dbraw/zinc/43/37/55/500433755.db2.gz BSBAIBNJEUWQHU-AWEZNQCLSA-N 2 1 358.511 3.116 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431852933 500434509 /nfs/dbraw/zinc/43/45/09/500434509.db2.gz CEIJEPHYIODHLW-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431852933 500434513 /nfs/dbraw/zinc/43/45/13/500434513.db2.gz CEIJEPHYIODHLW-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431852933 500434517 /nfs/dbraw/zinc/43/45/17/500434517.db2.gz CEIJEPHYIODHLW-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP O=C(c1cc2sccc2s1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420300259 500437011 /nfs/dbraw/zinc/43/70/11/500437011.db2.gz JTVBOZQLPAVQLF-CQSZACIVSA-N 2 1 363.552 3.110 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302464 500437327 /nfs/dbraw/zinc/43/73/27/500437327.db2.gz MHXLPXVISYNZHL-XLIONFOSSA-N 2 1 368.477 3.346 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)cc1 ZINC000420302463 500437620 /nfs/dbraw/zinc/43/76/20/500437620.db2.gz MHXLPXVISYNZHL-PXNSSMCTSA-N 2 1 368.477 3.346 20 0 FGADMP C[NH+](C)[C@H](CC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000431894844 500440257 /nfs/dbraw/zinc/44/02/57/500440257.db2.gz VICVZTSOGFVMRA-JOCHJYFZSA-N 2 1 365.521 3.244 20 0 FGADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N(c1ccccc1)C1CCCCC1 ZINC000420326329 500442036 /nfs/dbraw/zinc/44/20/36/500442036.db2.gz CEOIZUNDOMETRN-KDURUIRLSA-N 2 1 355.526 3.284 20 0 FGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328704 500442755 /nfs/dbraw/zinc/44/27/55/500442755.db2.gz FLGHACVIDVUTPO-UPJWGTAASA-N 2 1 356.297 3.252 20 0 FGADMP Cc1nc([C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347288 500446389 /nfs/dbraw/zinc/44/63/89/500446389.db2.gz GJKKBKWFSJMJIE-YJBOKZPZSA-N 2 1 374.916 3.344 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000420377222 500451140 /nfs/dbraw/zinc/45/11/40/500451140.db2.gz PMXPPIQIJNWHTC-FQEVSTJZSA-N 2 1 358.461 3.192 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420376778 500451361 /nfs/dbraw/zinc/45/13/61/500451361.db2.gz RJRBOERTFUVHQH-XLIONFOSSA-N 2 1 372.488 3.001 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420376778 500451364 /nfs/dbraw/zinc/45/13/64/500451364.db2.gz RJRBOERTFUVHQH-XLIONFOSSA-N 2 1 372.488 3.001 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388699 500453693 /nfs/dbraw/zinc/45/36/93/500453693.db2.gz XIGGMZZGPWHWLG-DOMZBBRYSA-N 2 1 369.391 3.034 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421307 500458342 /nfs/dbraw/zinc/45/83/42/500458342.db2.gz YQJVCVWLQOALRJ-VUHPKUFZSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421307 500458344 /nfs/dbraw/zinc/45/83/44/500458344.db2.gz YQJVCVWLQOALRJ-VUHPKUFZSA-N 2 1 353.510 3.322 20 0 FGADMP CC(C)[N@@H+]1CCO[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000420480767 500462585 /nfs/dbraw/zinc/46/25/85/500462585.db2.gz ZVVBYMGKHZHJGR-SFHVURJKSA-N 2 1 356.470 3.114 20 0 FGADMP CC(C)[N@H+]1CCO[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000420480767 500462587 /nfs/dbraw/zinc/46/25/87/500462587.db2.gz ZVVBYMGKHZHJGR-SFHVURJKSA-N 2 1 356.470 3.114 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625848 506200594 /nfs/dbraw/zinc/20/05/94/506200594.db2.gz TWYNIDJCDPSWQM-FPOVZHCZSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625848 506200596 /nfs/dbraw/zinc/20/05/96/506200596.db2.gz TWYNIDJCDPSWQM-FPOVZHCZSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625848 506200598 /nfs/dbraw/zinc/20/05/98/506200598.db2.gz TWYNIDJCDPSWQM-FPOVZHCZSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@@H]3C2)cc1 ZINC000576625848 506200601 /nfs/dbraw/zinc/20/06/01/506200601.db2.gz TWYNIDJCDPSWQM-FPOVZHCZSA-N 2 1 364.489 3.412 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289016 500481573 /nfs/dbraw/zinc/48/15/73/500481573.db2.gz LGAKHOHVPHNCHT-LJQANCHMSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424287020 500481791 /nfs/dbraw/zinc/48/17/91/500481791.db2.gz ICXKPZIITYBRAX-CQSZACIVSA-N 2 1 358.404 3.428 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292129 500482125 /nfs/dbraw/zinc/48/21/25/500482125.db2.gz OCRPFMINDWNQRU-ROUUACIJSA-N 2 1 365.521 3.481 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])c2)cc1 ZINC000424363658 500492153 /nfs/dbraw/zinc/49/21/53/500492153.db2.gz BWILCNYFMCGRSI-WOJBJXKFSA-N 2 1 353.466 3.307 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)c2cnc(C)cn2)CC1 ZINC000428322455 500495632 /nfs/dbraw/zinc/49/56/32/500495632.db2.gz UENUXJDPLNPIJW-IRXDYDNUSA-N 2 1 371.504 3.478 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000424427693 500503206 /nfs/dbraw/zinc/50/32/06/500503206.db2.gz QKHIZWHTQHSCJJ-JXFKEZNVSA-N 2 1 352.482 3.238 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424430915 500503698 /nfs/dbraw/zinc/50/36/98/500503698.db2.gz DVPAFHYBGNTXHB-UTKZUKDTSA-N 2 1 366.509 3.486 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NCC[N@@H+]3CC=CCC3)c2)CC1 ZINC000432357229 500504262 /nfs/dbraw/zinc/50/42/62/500504262.db2.gz KTGKFOZGJSTBRS-UHFFFAOYSA-N 2 1 370.541 3.344 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424439141 500506095 /nfs/dbraw/zinc/50/60/95/500506095.db2.gz REWNTOFNAUQFBB-UZLBHIALSA-N 2 1 352.482 3.238 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3cccs3)s2)CCCO1 ZINC000432369034 500506290 /nfs/dbraw/zinc/50/62/90/500506290.db2.gz TZILTJRNTQTJFB-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3cccs3)s2)CCCO1 ZINC000432369034 500506293 /nfs/dbraw/zinc/50/62/93/500506293.db2.gz TZILTJRNTQTJFB-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413815 500513284 /nfs/dbraw/zinc/51/32/84/500513284.db2.gz IGQOXZDAQQFCJJ-HZPDHXFCSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413815 500513287 /nfs/dbraw/zinc/51/32/87/500513287.db2.gz IGQOXZDAQQFCJJ-HZPDHXFCSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CCCO1 ZINC000432421679 500514845 /nfs/dbraw/zinc/51/48/45/500514845.db2.gz AOHDMENCZKOWTH-UTKZUKDTSA-N 2 1 358.526 3.480 20 0 FGADMP CC(C)(CO)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420968397 500543300 /nfs/dbraw/zinc/54/33/00/500543300.db2.gz WIRVMUKHNJKNSR-HXUWFJFHSA-N 2 1 374.550 3.430 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432727386 500552923 /nfs/dbraw/zinc/55/29/23/500552923.db2.gz GTPBXUCIGUJVIG-HNNXBMFYSA-N 2 1 351.491 3.368 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccc(F)cc3s2)C1 ZINC000432727386 500552926 /nfs/dbraw/zinc/55/29/26/500552926.db2.gz GTPBXUCIGUJVIG-HNNXBMFYSA-N 2 1 351.491 3.368 20 0 FGADMP CC[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000573486022 506202641 /nfs/dbraw/zinc/20/26/41/506202641.db2.gz VRLNPLAEFDNKGR-BJOMATTFSA-N 2 1 369.553 3.263 20 0 FGADMP OCC[C@@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@@H](CCO)CC2)CC1 ZINC000421020638 500556505 /nfs/dbraw/zinc/55/65/05/500556505.db2.gz RIJPEFXORBKODN-NHCUHLMSSA-N 2 1 354.579 3.126 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000428800287 500558940 /nfs/dbraw/zinc/55/89/40/500558940.db2.gz LKYHWEZRRXLXGU-RBUKOAKNSA-N 2 1 357.542 3.230 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000421061930 500568555 /nfs/dbraw/zinc/56/85/55/500568555.db2.gz GKOIQJDIJWEORI-IBGZPJMESA-N 2 1 374.529 3.109 20 0 FGADMP CSC1(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC[NH+](C)CC1 ZINC000570607612 506204212 /nfs/dbraw/zinc/20/42/12/506204212.db2.gz FFBNWBFMBYDCRD-GOSISDBHSA-N 2 1 360.502 3.122 20 0 FGADMP [NH3+][C@H]1CCCCCC[C@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000442749051 500619751 /nfs/dbraw/zinc/61/97/51/500619751.db2.gz NMQSUVKUNUZVGX-MOPGFXCFSA-N 2 1 370.497 3.334 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759635 500620854 /nfs/dbraw/zinc/62/08/54/500620854.db2.gz LKBSKGQTIWOIBF-NWDGAFQWSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759635 500620858 /nfs/dbraw/zinc/62/08/58/500620858.db2.gz LKBSKGQTIWOIBF-NWDGAFQWSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766686 500623084 /nfs/dbraw/zinc/62/30/84/500623084.db2.gz OTHPNAKHYFNBRH-WHSLLNHNSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766686 500623087 /nfs/dbraw/zinc/62/30/87/500623087.db2.gz OTHPNAKHYFNBRH-WHSLLNHNSA-N 2 1 371.912 3.215 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]C(Cc2ccccc2)Cc2ccccc2)CC1(C)C ZINC000442864511 500636110 /nfs/dbraw/zinc/63/61/10/500636110.db2.gz AAWXZJVCFPPJKD-UHFFFAOYSA-N 2 1 365.565 3.456 20 0 FGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442869573 500637000 /nfs/dbraw/zinc/63/70/00/500637000.db2.gz DQUCUUDFGYMZJT-MRXNPFEDSA-N 2 1 369.500 3.225 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000442899684 500644346 /nfs/dbraw/zinc/64/43/46/500644346.db2.gz KPMZVCRCVVSKBK-LBPRGKRZSA-N 2 1 354.285 3.135 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000442923694 500647345 /nfs/dbraw/zinc/64/73/45/500647345.db2.gz WQBFYRRUXGZCTH-CYBMUJFWSA-N 2 1 369.303 3.171 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)C1 ZINC000442929598 500649188 /nfs/dbraw/zinc/64/91/88/500649188.db2.gz SCAXCTSXXDUDCE-ZDUSSCGKSA-N 2 1 363.303 3.400 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437637779 500673456 /nfs/dbraw/zinc/67/34/56/500673456.db2.gz WSKWTPIGXQWTPC-FQEVSTJZSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808960 500699894 /nfs/dbraw/zinc/69/98/94/500699894.db2.gz HEHYTTIUWVWDLN-WMZOPIPTSA-N 2 1 352.567 3.059 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574986 500740815 /nfs/dbraw/zinc/74/08/15/500740815.db2.gz GCHGMHCHOGGWFQ-ZVZYQTTQSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574986 500740819 /nfs/dbraw/zinc/74/08/19/500740819.db2.gz GCHGMHCHOGGWFQ-ZVZYQTTQSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574986 500740820 /nfs/dbraw/zinc/74/08/20/500740820.db2.gz GCHGMHCHOGGWFQ-ZVZYQTTQSA-N 2 1 358.448 3.271 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000570695611 506214071 /nfs/dbraw/zinc/21/40/71/506214071.db2.gz YQJVZDFTEBXYBR-SQWLQELKSA-N 2 1 360.889 3.129 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CC[C@@H](c2nccn2C)C1 ZINC000570695611 506214072 /nfs/dbraw/zinc/21/40/72/506214072.db2.gz YQJVZDFTEBXYBR-SQWLQELKSA-N 2 1 360.889 3.129 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)C1 ZINC000570693694 506214107 /nfs/dbraw/zinc/21/41/07/506214107.db2.gz RJTADPDAZZTTJF-NYUBLWNDSA-N 2 1 372.557 3.091 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615084 500745889 /nfs/dbraw/zinc/74/58/89/500745889.db2.gz HZJRPSZVZMPZAA-IRXDYDNUSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615084 500745892 /nfs/dbraw/zinc/74/58/92/500745892.db2.gz HZJRPSZVZMPZAA-IRXDYDNUSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000443615084 500745894 /nfs/dbraw/zinc/74/58/94/500745894.db2.gz HZJRPSZVZMPZAA-IRXDYDNUSA-N 2 1 358.448 3.415 20 0 FGADMP C[C@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000443645702 500749720 /nfs/dbraw/zinc/74/97/20/500749720.db2.gz IUGGHPFYRXMWBK-YOEHRIQHSA-N 2 1 368.953 3.218 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000433939162 500768489 /nfs/dbraw/zinc/76/84/89/500768489.db2.gz GNBUVXUWJYWOHM-HXUWFJFHSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438329027 500770739 /nfs/dbraw/zinc/77/07/39/500770739.db2.gz OXFMLAQFOXFUNQ-WOJBJXKFSA-N 2 1 362.562 3.053 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438542642 500798956 /nfs/dbraw/zinc/79/89/56/500798956.db2.gz CMRZYQCHIVWYCP-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660295 506219457 /nfs/dbraw/zinc/21/94/57/506219457.db2.gz DVQKBLGEIRCFQL-WOIUINJBSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000438958838 500840749 /nfs/dbraw/zinc/84/07/49/500840749.db2.gz KPVOJRVMNAONMC-KRWDZBQOSA-N 2 1 352.567 3.105 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000444580517 500861664 /nfs/dbraw/zinc/86/16/64/500861664.db2.gz CTBQGMMQOHRZSN-RVKKMQEKSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000444580517 500861666 /nfs/dbraw/zinc/86/16/66/500861666.db2.gz CTBQGMMQOHRZSN-RVKKMQEKSA-N 2 1 355.486 3.024 20 0 FGADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@H+]1CCCC[C@H]1C ZINC000439177352 500866606 /nfs/dbraw/zinc/86/66/06/500866606.db2.gz LEYIMLYOUWIEEI-IAGOWNOFSA-N 2 1 366.575 3.084 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000444687305 500879856 /nfs/dbraw/zinc/87/98/56/500879856.db2.gz GFSFYDWDXORRRP-BGYRXZFFSA-N 2 1 374.569 3.382 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000444687305 500879859 /nfs/dbraw/zinc/87/98/59/500879859.db2.gz GFSFYDWDXORRRP-BGYRXZFFSA-N 2 1 374.569 3.382 20 0 FGADMP CNC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)c1 ZINC000449074714 500917744 /nfs/dbraw/zinc/91/77/44/500917744.db2.gz UUUACLBAZRRSQS-GOSISDBHSA-N 2 1 365.521 3.231 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134130 500932673 /nfs/dbraw/zinc/93/26/73/500932673.db2.gz HCKWGUKNUXZBNY-SCTDSRPQSA-N 2 1 363.933 3.153 20 0 FGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccnn2C2CCCC2)CC1 ZINC000449178785 500941999 /nfs/dbraw/zinc/94/19/99/500941999.db2.gz UPYQFNYMSNUUQV-UHFFFAOYSA-N 2 1 368.525 3.245 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000445112036 500945352 /nfs/dbraw/zinc/94/53/52/500945352.db2.gz JOTWFLDYYBDNHD-UHFFFAOYSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000435371641 500961261 /nfs/dbraw/zinc/96/12/61/500961261.db2.gz VZDPIFFETMKXMO-LLVKDONJSA-N 2 1 354.285 3.133 20 0 FGADMP C[N@@H+](Cc1cn(Cc2ccccc2)nc1-c1cccnc1)CC(C)(C)C[NH3+] ZINC000435377116 500962805 /nfs/dbraw/zinc/96/28/05/500962805.db2.gz YCYPOLDEDNOLIG-UHFFFAOYSA-N 2 1 363.509 3.410 20 0 FGADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000449305317 500971591 /nfs/dbraw/zinc/97/15/91/500971591.db2.gz RTLXRZVHMAQNAZ-AWEZNQCLSA-N 2 1 374.356 3.376 20 0 FGADMP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440098117 500974784 /nfs/dbraw/zinc/97/47/84/500974784.db2.gz DSLAVULAKBRGSM-QFIPXVFZSA-N 2 1 369.553 3.422 20 0 FGADMP CC[C@@H]1C[C@H](C[N@@H+](Cc2nccn2CC)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437004 500976953 /nfs/dbraw/zinc/97/69/53/500976953.db2.gz IBZLHDAQZVIZSS-QRVBRYPASA-N 2 1 360.546 3.052 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000449326453 500978841 /nfs/dbraw/zinc/97/88/41/500978841.db2.gz VWRTUERDKRWGBD-SFHVURJKSA-N 2 1 367.537 3.449 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491875 501016781 /nfs/dbraw/zinc/01/67/81/501016781.db2.gz AXXGZRHZOVUPOA-JOCHJYFZSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491875 501016785 /nfs/dbraw/zinc/01/67/85/501016785.db2.gz AXXGZRHZOVUPOA-JOCHJYFZSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491875 501016787 /nfs/dbraw/zinc/01/67/87/501016787.db2.gz AXXGZRHZOVUPOA-JOCHJYFZSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000449491875 501016790 /nfs/dbraw/zinc/01/67/90/501016790.db2.gz AXXGZRHZOVUPOA-JOCHJYFZSA-N 2 1 357.542 3.070 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440622682 501030296 /nfs/dbraw/zinc/03/02/96/501030296.db2.gz UNMVQLOBCWCEAQ-HIFRSBDPSA-N 2 1 352.404 3.429 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440622682 501030299 /nfs/dbraw/zinc/03/02/99/501030299.db2.gz UNMVQLOBCWCEAQ-HIFRSBDPSA-N 2 1 352.404 3.429 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560092 501033731 /nfs/dbraw/zinc/03/37/31/501033731.db2.gz FXZFNAFNNBBWDG-CSNJMZFVSA-N 2 1 369.509 3.056 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450339779 501094436 /nfs/dbraw/zinc/09/44/36/501094436.db2.gz BTGWUKYRMPARBL-JQVVWYNYSA-N 2 1 360.542 3.065 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000441189364 501100723 /nfs/dbraw/zinc/10/07/23/501100723.db2.gz OAVHOXITDIURDO-QRQLOZEOSA-N 2 1 352.906 3.292 20 0 FGADMP Cc1ccc([C@@H]2CCC[C@@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352991 501125869 /nfs/dbraw/zinc/12/58/69/501125869.db2.gz LGZDPFCDMRXLBI-VXKWHMMOSA-N 2 1 369.553 3.306 20 0 FGADMP CC[C@H]1CCC[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450062309 501168814 /nfs/dbraw/zinc/16/88/14/501168814.db2.gz UAXSPXSDXGDWSE-FPOVZHCZSA-N 2 1 363.590 3.467 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450648171 501175567 /nfs/dbraw/zinc/17/55/67/501175567.db2.gz KBECGNRPIVHWMU-KSZLIROESA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C[C@H](C)O1 ZINC000450648171 501175571 /nfs/dbraw/zinc/17/55/71/501175571.db2.gz KBECGNRPIVHWMU-KSZLIROESA-N 2 1 374.516 3.402 20 0 FGADMP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000446888638 501177684 /nfs/dbraw/zinc/17/76/84/501177684.db2.gz KYVBEXXCHAKUKJ-MRXNPFEDSA-N 2 1 359.539 3.450 20 0 FGADMP C[C@@H]1CCC[C@@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450119573 501185800 /nfs/dbraw/zinc/18/58/00/501185800.db2.gz POLZADZOMKAEGP-XMSQKQJNSA-N 2 1 363.590 3.467 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3ccnc4ccsc43)C2)CC1 ZINC000450774227 501206127 /nfs/dbraw/zinc/20/61/27/501206127.db2.gz NUBNUMCIVQLGEC-QGZVFWFLSA-N 2 1 372.538 3.067 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc[nH+]c4ccsc43)C2)CC1 ZINC000450774227 501206129 /nfs/dbraw/zinc/20/61/29/501206129.db2.gz NUBNUMCIVQLGEC-QGZVFWFLSA-N 2 1 372.538 3.067 20 0 FGADMP C[N@H+](C[C@H]1CCCCC1(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781018 501207244 /nfs/dbraw/zinc/20/72/44/501207244.db2.gz RUUYBEFWEYLFBX-RTBURBONSA-N 2 1 352.469 3.381 20 0 FGADMP C[N@@H+](C[C@H]1CCCCC1(F)F)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450781018 501207246 /nfs/dbraw/zinc/20/72/46/501207246.db2.gz RUUYBEFWEYLFBX-RTBURBONSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@H]1CCCCC1(F)F)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450781018 501207247 /nfs/dbraw/zinc/20/72/47/501207247.db2.gz RUUYBEFWEYLFBX-RTBURBONSA-N 2 1 352.469 3.381 20 0 FGADMP C[NH+](C[C@H]1CCCCC1(F)F)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450781018 501207248 /nfs/dbraw/zinc/20/72/48/501207248.db2.gz RUUYBEFWEYLFBX-RTBURBONSA-N 2 1 352.469 3.381 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106648 501270228 /nfs/dbraw/zinc/27/02/28/501270228.db2.gz ZAQXGFCXXYBKMB-MJGOQNOKSA-N 2 1 363.933 3.358 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1 ZINC000457646137 501276156 /nfs/dbraw/zinc/27/61/56/501276156.db2.gz JNDWFCOKFKMOCX-FQEVSTJZSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000457646137 501276160 /nfs/dbraw/zinc/27/61/60/501276160.db2.gz JNDWFCOKFKMOCX-FQEVSTJZSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457646137 501276163 /nfs/dbraw/zinc/27/61/63/501276163.db2.gz JNDWFCOKFKMOCX-FQEVSTJZSA-N 2 1 360.546 3.151 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000453156872 501281195 /nfs/dbraw/zinc/28/11/95/501281195.db2.gz HXOUHMFYFVGOEM-XUVXKRRUSA-N 2 1 354.498 3.343 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453218857 501293007 /nfs/dbraw/zinc/29/30/07/501293007.db2.gz NUUCYZQLIJQSQK-QGLKVJOYSA-N 2 1 356.510 3.361 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000453407022 501325524 /nfs/dbraw/zinc/32/55/24/501325524.db2.gz RRAJHRNSROWPJL-CEMLEFRQSA-N 2 1 350.510 3.218 20 0 FGADMP O=C(NCc1ccc2c[nH+]cn2c1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000457970347 501347261 /nfs/dbraw/zinc/34/72/61/501347261.db2.gz AJNKSDXUMQOHGR-NFBKMPQASA-N 2 1 374.488 3.253 20 0 FGADMP Cc1cc(NC(=O)C[N@H+](C)Cc2ccccc2)ccc1OCC[NH+](C)C ZINC000458189665 501388316 /nfs/dbraw/zinc/38/83/16/501388316.db2.gz DAGFZJHEFJZKGA-UHFFFAOYSA-N 2 1 355.482 3.006 20 0 FGADMP Cc1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)ccc1OCC[NH+](C)C ZINC000458189665 501388317 /nfs/dbraw/zinc/38/83/17/501388317.db2.gz DAGFZJHEFJZKGA-UHFFFAOYSA-N 2 1 355.482 3.006 20 0 FGADMP Cc1cc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000458204425 501392495 /nfs/dbraw/zinc/39/24/95/501392495.db2.gz XLPUIHLBLPMGEB-HXUWFJFHSA-N 2 1 355.482 3.177 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455871707 501403739 /nfs/dbraw/zinc/40/37/39/501403739.db2.gz YKHCEOQUMOXZPG-NHJHPMQKSA-N 2 1 356.514 3.324 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1F ZINC000458273227 501408570 /nfs/dbraw/zinc/40/85/70/501408570.db2.gz AQTOMEIEHGXEQT-UHFFFAOYSA-N 2 1 365.474 3.142 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455923572 501416814 /nfs/dbraw/zinc/41/68/14/501416814.db2.gz MNSSGFCIBQCWHP-OXJNMPFZSA-N 2 1 358.530 3.335 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511112 501462660 /nfs/dbraw/zinc/46/26/60/501462660.db2.gz POSJCZLIPHGLAD-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511112 501462662 /nfs/dbraw/zinc/46/26/62/501462662.db2.gz POSJCZLIPHGLAD-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511112 501462664 /nfs/dbraw/zinc/46/26/64/501462664.db2.gz POSJCZLIPHGLAD-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638176 501495658 /nfs/dbraw/zinc/49/56/58/501495658.db2.gz SUVOQNITOBGVMO-MOPGFXCFSA-N 2 1 364.578 3.205 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689417 501508567 /nfs/dbraw/zinc/50/85/67/501508567.db2.gz SSDAQFLKZRALHV-SESVDKBCSA-N 2 1 372.557 3.021 20 0 FGADMP C[N@H+]1CCC[C@@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845175 501572922 /nfs/dbraw/zinc/57/29/22/501572922.db2.gz LAZLRKBMDYPTMG-RTWAWAEBSA-N 2 1 369.553 3.230 20 0 FGADMP CN(C(=O)NCCCC[N@@H+](C)C1CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459170927 501607932 /nfs/dbraw/zinc/60/79/32/501607932.db2.gz XQLPMSOLHNFSEN-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459323521 501631035 /nfs/dbraw/zinc/63/10/35/501631035.db2.gz JOMKHANQELESRZ-UHFFFAOYSA-N 2 1 366.509 3.404 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)CC1 ZINC000459370777 501641133 /nfs/dbraw/zinc/64/11/33/501641133.db2.gz HQDMXQYJPORNIL-UHFFFAOYSA-N 2 1 371.912 3.060 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000455115698 501690532 /nfs/dbraw/zinc/69/05/32/501690532.db2.gz MPQYPGQSTNKQGR-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457464571 501703739 /nfs/dbraw/zinc/70/37/39/501703739.db2.gz VXCMBWSDHOMTQW-VQTJNVASSA-N 2 1 360.546 3.194 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459729700 501705139 /nfs/dbraw/zinc/70/51/39/501705139.db2.gz DKSWALJXUABSSG-HUUCEWRRSA-N 2 1 367.921 3.387 20 0 FGADMP COc1cc(Br)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459731189 501705666 /nfs/dbraw/zinc/70/56/66/501705666.db2.gz KUMIKCCNBGBWHZ-CYBMUJFWSA-N 2 1 371.319 3.288 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1Cl ZINC000457478873 501706820 /nfs/dbraw/zinc/70/68/20/501706820.db2.gz HLDHCLPWAQKWBS-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1Cl ZINC000457478873 501706823 /nfs/dbraw/zinc/70/68/23/501706823.db2.gz HLDHCLPWAQKWBS-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(I)cc2)C1 ZINC000459800217 501715850 /nfs/dbraw/zinc/71/58/50/501715850.db2.gz ZHTKKMIGAUTDDK-AWEZNQCLSA-N 2 1 358.267 3.113 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000457529641 501717116 /nfs/dbraw/zinc/71/71/16/501717116.db2.gz PUMTYOROGYSFEH-QFIPXVFZSA-N 2 1 372.557 3.156 20 0 FGADMP CCCN(C(=O)Cn1ccnc1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457542252 501719086 /nfs/dbraw/zinc/71/90/86/501719086.db2.gz UHNRRSKIZZDZGD-FQEVSTJZSA-N 2 1 354.498 3.095 20 0 FGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457542252 501719089 /nfs/dbraw/zinc/71/90/89/501719089.db2.gz UHNRRSKIZZDZGD-FQEVSTJZSA-N 2 1 354.498 3.095 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603051 501739567 /nfs/dbraw/zinc/73/95/67/501739567.db2.gz SAZSSKJTXLBWRD-IRXDYDNUSA-N 2 1 371.447 3.299 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467374556 501780562 /nfs/dbraw/zinc/78/05/62/501780562.db2.gz YFJPKFQXQBMIGR-FADBTOOJSA-N 2 1 372.553 3.054 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000467374556 501780563 /nfs/dbraw/zinc/78/05/63/501780563.db2.gz YFJPKFQXQBMIGR-FADBTOOJSA-N 2 1 372.553 3.054 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470758152 501794431 /nfs/dbraw/zinc/79/44/31/501794431.db2.gz WDYVGTHCHNRCFX-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C2(CCCCC2)C1 ZINC000467463139 501801504 /nfs/dbraw/zinc/80/15/04/501801504.db2.gz HJUSRWPBZKVJJM-UHFFFAOYSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359442 501803219 /nfs/dbraw/zinc/80/32/19/501803219.db2.gz FNSWPKPBHNMKJP-YOUFYPILSA-N 2 1 374.573 3.171 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460359442 501803223 /nfs/dbraw/zinc/80/32/23/501803223.db2.gz FNSWPKPBHNMKJP-YOUFYPILSA-N 2 1 374.573 3.171 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460359442 501803227 /nfs/dbraw/zinc/80/32/27/501803227.db2.gz FNSWPKPBHNMKJP-YOUFYPILSA-N 2 1 374.573 3.171 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1Cc1ccccc1)c1ccccc1 ZINC000460373376 501807688 /nfs/dbraw/zinc/80/76/88/501807688.db2.gz DUXVVOJYNNTIDW-FGZHOGPDSA-N 2 1 365.521 3.113 20 0 FGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463738456 501807887 /nfs/dbraw/zinc/80/78/87/501807887.db2.gz IWFIVLWUSFODRV-FQEVSTJZSA-N 2 1 370.541 3.378 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463738456 501807893 /nfs/dbraw/zinc/80/78/93/501807893.db2.gz IWFIVLWUSFODRV-FQEVSTJZSA-N 2 1 370.541 3.378 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)c2)n1 ZINC000477860059 501811730 /nfs/dbraw/zinc/81/17/30/501811730.db2.gz LYYFUCZJKPAHHX-CZUORRHYSA-N 2 1 359.495 3.027 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485422417 501816803 /nfs/dbraw/zinc/81/68/03/501816803.db2.gz JUUHUUDCFYSUFD-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470896324 501845105 /nfs/dbraw/zinc/84/51/05/501845105.db2.gz FFYPNASJFNGVCI-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470896324 501845111 /nfs/dbraw/zinc/84/51/11/501845111.db2.gz FFYPNASJFNGVCI-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470896324 501845116 /nfs/dbraw/zinc/84/51/16/501845116.db2.gz FFYPNASJFNGVCI-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccc(CCC[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000474470441 501847623 /nfs/dbraw/zinc/84/76/23/501847623.db2.gz RVGUQKPMWDBDJF-HSZRJFAPSA-N 2 1 366.553 3.291 20 0 FGADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942239 501924474 /nfs/dbraw/zinc/92/44/74/501924474.db2.gz BZTPHCUMXJNNKE-CVEARBPZSA-N 2 1 352.544 3.394 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460950173 501967249 /nfs/dbraw/zinc/96/72/49/501967249.db2.gz PBFKSSHOQNRMLF-HDYDNRTBSA-N 2 1 366.594 3.449 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CCN2Cc2ccccc2)C1 ZINC000468130978 501967538 /nfs/dbraw/zinc/96/75/38/501967538.db2.gz PQCUNCJBBCWTQS-WSTZPKSXSA-N 2 1 357.542 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(CC)c(C)s2)[C@H](C)C1 ZINC000482087210 501970941 /nfs/dbraw/zinc/97/09/41/501970941.db2.gz GYKGOAWKNQBMRX-CRAIPNDOSA-N 2 1 353.576 3.283 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000482134184 501984520 /nfs/dbraw/zinc/98/45/20/501984520.db2.gz BFOZXFUASACETC-GDBMZVCRSA-N 2 1 352.910 3.164 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000471401792 502013437 /nfs/dbraw/zinc/01/34/37/502013437.db2.gz SNKXZQBSPFWUCU-UHFFFAOYSA-N 2 1 367.493 3.014 20 0 FGADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999310 502017740 /nfs/dbraw/zinc/01/77/40/502017740.db2.gz YWVDMLVXWBXLDC-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474999310 502017743 /nfs/dbraw/zinc/01/77/43/502017743.db2.gz YWVDMLVXWBXLDC-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474999310 502017745 /nfs/dbraw/zinc/01/77/45/502017745.db2.gz YWVDMLVXWBXLDC-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474999310 502017749 /nfs/dbraw/zinc/01/77/49/502017749.db2.gz YWVDMLVXWBXLDC-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042686 502032358 /nfs/dbraw/zinc/03/23/58/502032358.db2.gz ZFEILFDJMKDZRL-TZIWHRDSSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000482434158 502066009 /nfs/dbraw/zinc/06/60/09/502066009.db2.gz DRZUYMHMJPGVRH-KRWDZBQOSA-N 2 1 357.523 3.032 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129611 502071341 /nfs/dbraw/zinc/07/13/41/502071341.db2.gz KHKDEOIMWJBTJH-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475129611 502071345 /nfs/dbraw/zinc/07/13/45/502071345.db2.gz KHKDEOIMWJBTJH-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475129611 502071351 /nfs/dbraw/zinc/07/13/51/502071351.db2.gz KHKDEOIMWJBTJH-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475155552 502084039 /nfs/dbraw/zinc/08/40/39/502084039.db2.gz KVHFZMGCRUPFGU-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCC[N@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475155552 502084046 /nfs/dbraw/zinc/08/40/46/502084046.db2.gz KVHFZMGCRUPFGU-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475155552 502084052 /nfs/dbraw/zinc/08/40/52/502084052.db2.gz KVHFZMGCRUPFGU-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556306 502110252 /nfs/dbraw/zinc/11/02/52/502110252.db2.gz JMSMHCJBYNDNFG-SJLPKXTDSA-N 2 1 351.922 3.358 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC000464947086 502152736 /nfs/dbraw/zinc/15/27/36/502152736.db2.gz DJTJYWHTEFBPER-OALUTQOASA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC000464947086 502152742 /nfs/dbraw/zinc/15/27/42/502152742.db2.gz DJTJYWHTEFBPER-OALUTQOASA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000464947086 502152747 /nfs/dbraw/zinc/15/27/47/502152747.db2.gz DJTJYWHTEFBPER-OALUTQOASA-N 2 1 366.594 3.164 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479079574 502157347 /nfs/dbraw/zinc/15/73/47/502157347.db2.gz MHXBMZDSFSIJBN-OAQYLSRUSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725269 502162364 /nfs/dbraw/zinc/16/23/64/502162364.db2.gz VGLYHMYRHLMZEU-CEXWTWQISA-N 2 1 351.579 3.118 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000468747857 502170037 /nfs/dbraw/zinc/17/00/37/502170037.db2.gz MRFRKCBYCZVZBW-OAQYLSRUSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000468747857 502170041 /nfs/dbraw/zinc/17/00/41/502170041.db2.gz MRFRKCBYCZVZBW-OAQYLSRUSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000468747857 502170045 /nfs/dbraw/zinc/17/00/45/502170045.db2.gz MRFRKCBYCZVZBW-OAQYLSRUSA-N 2 1 357.542 3.422 20 0 FGADMP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602785421 506298461 /nfs/dbraw/zinc/29/84/61/506298461.db2.gz PIKLJUVZECPQRT-HXUWFJFHSA-N 2 1 368.525 3.250 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)c(Cl)c1 ZINC000486580829 502197284 /nfs/dbraw/zinc/19/72/84/502197284.db2.gz PXCUOXZWFWTIFH-KRWDZBQOSA-N 2 1 351.922 3.137 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035010 502206350 /nfs/dbraw/zinc/20/63/50/502206350.db2.gz LMHZUYYYAWAXLI-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035010 502206355 /nfs/dbraw/zinc/20/63/55/502206355.db2.gz LMHZUYYYAWAXLI-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000472035010 502206356 /nfs/dbraw/zinc/20/63/56/502206356.db2.gz LMHZUYYYAWAXLI-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000472035010 502206362 /nfs/dbraw/zinc/20/63/62/502206362.db2.gz LMHZUYYYAWAXLI-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000475625916 502233193 /nfs/dbraw/zinc/23/31/93/502233193.db2.gz PNPLEFBVUAGHBZ-UHFFFAOYSA-N 2 1 353.466 3.126 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000479357042 502233944 /nfs/dbraw/zinc/23/39/44/502233944.db2.gz JFHAXTWQOJZFAX-QGZVFWFLSA-N 2 1 355.320 3.384 20 0 FGADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2cc(Br)ccc21 ZINC000479367310 502236150 /nfs/dbraw/zinc/23/61/50/502236150.db2.gz ZACRZFZRXPMYHZ-RHSMWYFYSA-N 2 1 367.331 3.218 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000486718623 502242746 /nfs/dbraw/zinc/24/27/46/502242746.db2.gz DPGMBVXIDBMNBM-FQEVSTJZSA-N 2 1 353.441 3.163 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000479389369 502244097 /nfs/dbraw/zinc/24/40/97/502244097.db2.gz PDGNEVABEZTCAP-ZWKOTPCHSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000472155563 502251692 /nfs/dbraw/zinc/25/16/92/502251692.db2.gz KTAPCSWUVFMTLX-UXPWSPDFSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000472155563 502251698 /nfs/dbraw/zinc/25/16/98/502251698.db2.gz KTAPCSWUVFMTLX-UXPWSPDFSA-N 2 1 369.509 3.058 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000469020338 502266263 /nfs/dbraw/zinc/26/62/63/502266263.db2.gz MTJLJLRNAQLIEX-ICSRJNTNSA-N 2 1 360.542 3.372 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000465449897 502266390 /nfs/dbraw/zinc/26/63/90/502266390.db2.gz WBLCRVSRVGJYFT-FQEVSTJZSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261072 502288753 /nfs/dbraw/zinc/28/87/53/502288753.db2.gz BVNDHETXBGPUND-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261072 502288757 /nfs/dbraw/zinc/28/87/57/502288757.db2.gz BVNDHETXBGPUND-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269554 502292347 /nfs/dbraw/zinc/29/23/47/502292347.db2.gz WPRLMAANUWHMCA-XLIONFOSSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269554 502292351 /nfs/dbraw/zinc/29/23/51/502292351.db2.gz WPRLMAANUWHMCA-XLIONFOSSA-N 2 1 361.530 3.009 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000472276590 502295389 /nfs/dbraw/zinc/29/53/89/502295389.db2.gz NPJBXWBJRBSMII-FQEVSTJZSA-N 2 1 361.530 3.181 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C(C)C)c2)C1 ZINC000472276590 502295396 /nfs/dbraw/zinc/29/53/96/502295396.db2.gz NPJBXWBJRBSMII-FQEVSTJZSA-N 2 1 361.530 3.181 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H](c4ccccc4)C3)cn2)CC1 ZINC000486896884 502297350 /nfs/dbraw/zinc/29/73/50/502297350.db2.gz MJPWKTSKFNKLRP-SFTDATJTSA-N 2 1 365.525 3.044 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281880 502298542 /nfs/dbraw/zinc/29/85/42/502298542.db2.gz CTHOETFLLGUBJW-CRAIPNDOSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281880 502298544 /nfs/dbraw/zinc/29/85/44/502298544.db2.gz CTHOETFLLGUBJW-CRAIPNDOSA-N 2 1 367.921 3.100 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000465557174 502307212 /nfs/dbraw/zinc/30/72/12/502307212.db2.gz DUYSENJQQISHJJ-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000465575862 502312643 /nfs/dbraw/zinc/31/26/43/502312643.db2.gz QXRRYPNKXUZCFB-GHTZIAJQSA-N 2 1 372.557 3.200 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000465595028 502319522 /nfs/dbraw/zinc/31/95/22/502319522.db2.gz JBBZODABKYJWFX-NRFANRHFSA-N 2 1 374.573 3.402 20 0 FGADMP NC(=O)c1csc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353930 502326718 /nfs/dbraw/zinc/32/67/18/502326718.db2.gz HEVYFDSPLMYFME-QFBILLFUSA-N 2 1 357.523 3.019 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000469178583 502327153 /nfs/dbraw/zinc/32/71/53/502327153.db2.gz MTECDYLZOOJDGY-SQNIBIBYSA-N 2 1 361.530 3.043 20 0 FGADMP C[C@@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000469178583 502327154 /nfs/dbraw/zinc/32/71/54/502327154.db2.gz MTECDYLZOOJDGY-SQNIBIBYSA-N 2 1 361.530 3.043 20 0 FGADMP O=C(C[N@@H+](CC1CC1)CC1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000483260570 502331903 /nfs/dbraw/zinc/33/19/03/502331903.db2.gz IRVFARLQJPMRDM-UHFFFAOYSA-N 2 1 369.553 3.411 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](CC3CC3)C3CCC3)CC2)cc1 ZINC000483301161 502343806 /nfs/dbraw/zinc/34/38/06/502343806.db2.gz FOEGCPVOHHNUTE-UHFFFAOYSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](CC3CC3)C3CCC3)CC2)cc1 ZINC000483301161 502343809 /nfs/dbraw/zinc/34/38/09/502343809.db2.gz FOEGCPVOHHNUTE-UHFFFAOYSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CC3CC3)C3CCC3)CC2)cc1 ZINC000483301161 502343816 /nfs/dbraw/zinc/34/38/16/502343816.db2.gz FOEGCPVOHHNUTE-UHFFFAOYSA-N 2 1 369.553 3.294 20 0 FGADMP Cn1nc(CCC[N@@H+](C)CCC2CC[NH2+]CC2)cc1-c1ccc(F)cc1 ZINC000479689910 502345376 /nfs/dbraw/zinc/34/53/76/502345376.db2.gz RSBVLOQLEIYCKH-UHFFFAOYSA-N 2 1 358.505 3.480 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753532 502371039 /nfs/dbraw/zinc/37/10/39/502371039.db2.gz KFHBBOBQINFQKU-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465753532 502371044 /nfs/dbraw/zinc/37/10/44/502371044.db2.gz KFHBBOBQINFQKU-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465753532 502371050 /nfs/dbraw/zinc/37/10/50/502371050.db2.gz KFHBBOBQINFQKU-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688618 506309719 /nfs/dbraw/zinc/30/97/19/506309719.db2.gz TVWCYJKZZASFRJ-RBBKRZOGSA-N 2 1 354.494 3.229 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688618 506309727 /nfs/dbraw/zinc/30/97/27/506309727.db2.gz TVWCYJKZZASFRJ-RBBKRZOGSA-N 2 1 354.494 3.229 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000465864217 502406968 /nfs/dbraw/zinc/40/69/68/502406968.db2.gz CMAROHBQTMJSTI-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000465864217 502406974 /nfs/dbraw/zinc/40/69/74/502406974.db2.gz CMAROHBQTMJSTI-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000465864217 502406978 /nfs/dbraw/zinc/40/69/78/502406978.db2.gz CMAROHBQTMJSTI-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479937736 502424166 /nfs/dbraw/zinc/42/41/66/502424166.db2.gz CFHGEPBDTJGQIQ-UHFFFAOYSA-N 2 1 350.466 3.436 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479937736 502424172 /nfs/dbraw/zinc/42/41/72/502424172.db2.gz CFHGEPBDTJGQIQ-UHFFFAOYSA-N 2 1 350.466 3.436 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000483566134 502433264 /nfs/dbraw/zinc/43/32/64/502433264.db2.gz VZVKQPINYFHAIW-NHCUHLMSSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000483566134 502433267 /nfs/dbraw/zinc/43/32/67/502433267.db2.gz VZVKQPINYFHAIW-NHCUHLMSSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000483566134 502433271 /nfs/dbraw/zinc/43/32/71/502433271.db2.gz VZVKQPINYFHAIW-NHCUHLMSSA-N 2 1 357.542 3.475 20 0 FGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710143 506317913 /nfs/dbraw/zinc/31/79/13/506317913.db2.gz QPHOMLOXSWSCAQ-ROUUACIJSA-N 2 1 373.541 3.009 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(F)cc2)[C@@H](C)C1 ZINC000483628926 502447736 /nfs/dbraw/zinc/44/77/36/502447736.db2.gz RYINXQQEIJFZGO-QKLQHJQFSA-N 2 1 352.494 3.320 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(C)c1C ZINC000466019041 502456154 /nfs/dbraw/zinc/45/61/54/502456154.db2.gz GONPCYCOVHWVDU-WOJBJXKFSA-N 2 1 374.573 3.422 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676223 502459858 /nfs/dbraw/zinc/45/98/58/502459858.db2.gz BNLVNUFJYKSDDG-JBACZVJFSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676223 502459863 /nfs/dbraw/zinc/45/98/63/502459863.db2.gz BNLVNUFJYKSDDG-JBACZVJFSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676223 502459868 /nfs/dbraw/zinc/45/98/68/502459868.db2.gz BNLVNUFJYKSDDG-JBACZVJFSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000487518987 502465578 /nfs/dbraw/zinc/46/55/78/502465578.db2.gz QLLRZXUUKNZOHV-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000487518987 502465580 /nfs/dbraw/zinc/46/55/80/502465580.db2.gz QLLRZXUUKNZOHV-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP CCOC(=O)c1cnccc1N1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000480124330 502478992 /nfs/dbraw/zinc/47/89/92/502478992.db2.gz VFDAEQMWVKIIRX-HNNXBMFYSA-N 2 1 357.429 3.281 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccco1 ZINC000483778092 502489949 /nfs/dbraw/zinc/48/99/49/502489949.db2.gz UMIUKRFJIUVALU-SQNIBIBYSA-N 2 1 364.534 3.177 20 0 FGADMP COC(=O)[C@H](c1ccccc1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000466233974 502512466 /nfs/dbraw/zinc/51/24/66/502512466.db2.gz YGNUWHHBHXPEDP-NRFANRHFSA-N 2 1 367.493 3.453 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H](C)O1 ZINC000480261370 502516482 /nfs/dbraw/zinc/51/64/82/502516482.db2.gz IYLWSXDNWFITBK-XWSHUIEDSA-N 2 1 373.585 3.374 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000476545139 502520618 /nfs/dbraw/zinc/52/06/18/502520618.db2.gz UPGJLFCOXQNCEQ-DLBZAZTESA-N 2 1 364.534 3.082 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000476545139 502520626 /nfs/dbraw/zinc/52/06/26/502520626.db2.gz UPGJLFCOXQNCEQ-DLBZAZTESA-N 2 1 364.534 3.082 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccsc2)N(C)C)[C@@H](C)C1 ZINC000480280327 502523454 /nfs/dbraw/zinc/52/34/54/502523454.db2.gz UBHVIOWLIBQQKB-WDSOQIARSA-N 2 1 353.576 3.077 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000466300045 502531162 /nfs/dbraw/zinc/53/11/62/502531162.db2.gz VOJYYKZYQJCUOB-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000480330519 502540275 /nfs/dbraw/zinc/54/02/75/502540275.db2.gz RKCCSVBHQQGBOR-SIKLNZKXSA-N 2 1 370.541 3.141 20 0 FGADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858954 502549485 /nfs/dbraw/zinc/54/94/85/502549485.db2.gz NDEYCPQZJVTESS-NSHGMRRFSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858954 502549488 /nfs/dbraw/zinc/54/94/88/502549488.db2.gz NDEYCPQZJVTESS-NSHGMRRFSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858950 502550143 /nfs/dbraw/zinc/55/01/43/502550143.db2.gz NDEYCPQZJVTESS-CMKODMSKSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H](C)C1 ZINC000487858950 502550147 /nfs/dbraw/zinc/55/01/47/502550147.db2.gz NDEYCPQZJVTESS-CMKODMSKSA-N 2 1 364.578 3.013 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000473290379 502559877 /nfs/dbraw/zinc/55/98/77/502559877.db2.gz GQIGZFYWVLDYKK-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000473290379 502559882 /nfs/dbraw/zinc/55/98/82/502559882.db2.gz GQIGZFYWVLDYKK-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000473290379 502559887 /nfs/dbraw/zinc/55/98/87/502559887.db2.gz GQIGZFYWVLDYKK-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1)CC(C)C ZINC000484077395 502564275 /nfs/dbraw/zinc/56/42/75/502564275.db2.gz LZPZTXAVNDCGMN-UHFFFAOYSA-N 2 1 360.546 3.490 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000469861925 502572333 /nfs/dbraw/zinc/57/23/33/502572333.db2.gz LTBJHQGPEPYVPH-GXTWGEPZSA-N 2 1 363.303 3.112 20 0 FGADMP CCC[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000469870495 502577086 /nfs/dbraw/zinc/57/70/86/502577086.db2.gz JJAFNXJPMMVUNV-HMXCVIKNSA-N 2 1 357.542 3.151 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132541 502577973 /nfs/dbraw/zinc/57/79/73/502577973.db2.gz OVOVURJDYQMJCX-DUZZCOBJSA-N 2 1 354.538 3.284 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000484132541 502577977 /nfs/dbraw/zinc/57/79/77/502577977.db2.gz OVOVURJDYQMJCX-DUZZCOBJSA-N 2 1 354.538 3.284 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000462812471 502583950 /nfs/dbraw/zinc/58/39/50/502583950.db2.gz NYQZWCGAEGIASI-UIFIKXQLSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812471 502583955 /nfs/dbraw/zinc/58/39/55/502583955.db2.gz NYQZWCGAEGIASI-UIFIKXQLSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000462812471 502583960 /nfs/dbraw/zinc/58/39/60/502583960.db2.gz NYQZWCGAEGIASI-UIFIKXQLSA-N 2 1 355.526 3.030 20 0 FGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171859 502592623 /nfs/dbraw/zinc/59/26/23/502592623.db2.gz ZFELVUOIIMTVEE-VXKWHMMOSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171859 502592626 /nfs/dbraw/zinc/59/26/26/502592626.db2.gz ZFELVUOIIMTVEE-VXKWHMMOSA-N 2 1 354.494 3.373 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000484175868 502594089 /nfs/dbraw/zinc/59/40/89/502594089.db2.gz RREIJSWTJPCQHV-AKIFATBCSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000484175868 502594094 /nfs/dbraw/zinc/59/40/94/502594094.db2.gz RREIJSWTJPCQHV-AKIFATBCSA-N 2 1 350.506 3.455 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501991 502613016 /nfs/dbraw/zinc/61/30/16/502613016.db2.gz BTNXQDOCTAWHFD-VIZSFHNOSA-N 2 1 369.553 3.374 20 0 FGADMP COc1ccc(F)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000462904194 502620186 /nfs/dbraw/zinc/62/01/86/502620186.db2.gz DZBXBAMUAUAGBR-FQEVSTJZSA-N 2 1 358.457 3.081 20 0 FGADMP CCOc1c(Br)cc(C[NH+]2CCC(C[NH2+]C)CC2)cc1OC ZINC000470022680 502633330 /nfs/dbraw/zinc/63/33/30/502633330.db2.gz PSVUUAPMQPYYNW-UHFFFAOYSA-N 2 1 371.319 3.288 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000476978932 502639947 /nfs/dbraw/zinc/63/99/47/502639947.db2.gz HIJTWXBPTMBIEE-JLSDUUJJSA-N 2 1 369.912 3.174 20 0 FGADMP CC(C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053143 502663332 /nfs/dbraw/zinc/66/33/32/502663332.db2.gz ZDCNRYFIRDQVPL-VXKWHMMOSA-N 2 1 364.574 3.408 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805314 502676634 /nfs/dbraw/zinc/67/66/34/502676634.db2.gz XVFQUDDTBZMXHC-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805314 502676637 /nfs/dbraw/zinc/67/66/37/502676637.db2.gz XVFQUDDTBZMXHC-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805314 502676642 /nfs/dbraw/zinc/67/66/42/502676642.db2.gz XVFQUDDTBZMXHC-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@H](C)C1 ZINC000470161757 502687533 /nfs/dbraw/zinc/68/75/33/502687533.db2.gz XEHQAZGQSRUWJN-RTBURBONSA-N 2 1 351.579 3.120 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000477216178 502709276 /nfs/dbraw/zinc/70/92/76/502709276.db2.gz CFGZJGYJOHDSJG-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CS[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420493 502710886 /nfs/dbraw/zinc/71/08/86/502710886.db2.gz WIJNITZAIGQTRB-VQTJNVASSA-N 2 1 361.599 3.444 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466922234 502728007 /nfs/dbraw/zinc/72/80/07/502728007.db2.gz VTROXXRYGZDGEI-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000477320190 502741303 /nfs/dbraw/zinc/74/13/03/502741303.db2.gz QOFYWEHHUOTGTR-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000477320190 502741306 /nfs/dbraw/zinc/74/13/06/502741306.db2.gz QOFYWEHHUOTGTR-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000477320190 502741313 /nfs/dbraw/zinc/74/13/13/502741313.db2.gz QOFYWEHHUOTGTR-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269735 502741517 /nfs/dbraw/zinc/74/15/17/502741517.db2.gz CANNWFPIQWLHNY-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)c2)C[C@@H](C)O1 ZINC000470375155 502754031 /nfs/dbraw/zinc/75/40/31/502754031.db2.gz MCHWQVPUYLKZKT-HZPDHXFCSA-N 2 1 365.477 3.151 20 0 FGADMP C[C@@H](C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000463336135 502762182 /nfs/dbraw/zinc/76/21/82/502762182.db2.gz QAJYBNSRVAWARA-BBWFWOEESA-N 2 1 356.514 3.403 20 0 FGADMP c1ccc2cc(OCCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000484901710 502770463 /nfs/dbraw/zinc/77/04/63/502770463.db2.gz ADBMYFPMHKKUET-BDTNDASRSA-N 2 1 354.494 3.355 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481178324 502774212 /nfs/dbraw/zinc/77/42/12/502774212.db2.gz SLJBDDOHUSTOFE-NQIIRXRSSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481178324 502774215 /nfs/dbraw/zinc/77/42/15/502774215.db2.gz SLJBDDOHUSTOFE-NQIIRXRSSA-N 2 1 357.542 3.134 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918747 502775930 /nfs/dbraw/zinc/77/59/30/502775930.db2.gz IRBYNWXBBAXHOU-LMNJBCLMSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918747 502775934 /nfs/dbraw/zinc/77/59/34/502775934.db2.gz IRBYNWXBBAXHOU-LMNJBCLMSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000484918747 502775938 /nfs/dbraw/zinc/77/59/38/502775938.db2.gz IRBYNWXBBAXHOU-LMNJBCLMSA-N 2 1 357.542 3.375 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481185653 502776369 /nfs/dbraw/zinc/77/63/69/502776369.db2.gz WRFYJLWIZKEXJC-HKUYNNGSSA-N 2 1 371.550 3.173 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481185653 502776374 /nfs/dbraw/zinc/77/63/74/502776374.db2.gz WRFYJLWIZKEXJC-HKUYNNGSSA-N 2 1 371.550 3.173 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933318 502781141 /nfs/dbraw/zinc/78/11/41/502781141.db2.gz GXPXJVXNWOLTKC-LQWHRVPQSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962113 502787777 /nfs/dbraw/zinc/78/77/77/502787777.db2.gz LFHORRUKMJUAJF-RRMPHLOHSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962113 502787782 /nfs/dbraw/zinc/78/77/82/502787782.db2.gz LFHORRUKMJUAJF-RRMPHLOHSA-N 2 1 371.912 3.215 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000500684541 502839405 /nfs/dbraw/zinc/83/94/05/502839405.db2.gz IPMAIQBPMCMASU-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000500684541 502839409 /nfs/dbraw/zinc/83/94/09/502839409.db2.gz IPMAIQBPMCMASU-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc(Br)c1O ZINC000513068722 502843755 /nfs/dbraw/zinc/84/37/55/502843755.db2.gz IHLYZCROBPFQLM-ZDUSSCGKSA-N 2 1 371.319 3.375 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513133157 502859942 /nfs/dbraw/zinc/85/99/42/502859942.db2.gz CXVMATVAOBMEIW-JIRNRHONSA-N 2 1 360.542 3.281 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513133157 502859943 /nfs/dbraw/zinc/85/99/43/502859943.db2.gz CXVMATVAOBMEIW-JIRNRHONSA-N 2 1 360.542 3.281 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513133157 502859946 /nfs/dbraw/zinc/85/99/46/502859946.db2.gz CXVMATVAOBMEIW-JIRNRHONSA-N 2 1 360.542 3.281 20 0 FGADMP CCCCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985376 502905676 /nfs/dbraw/zinc/90/56/76/502905676.db2.gz RUJJJXWAEVAZCQ-UXHICEINSA-N 2 1 353.595 3.318 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501036843 502917783 /nfs/dbraw/zinc/91/77/83/502917783.db2.gz DXYWWVXHBFLWEO-UHFFFAOYSA-N 2 1 357.454 3.200 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568549 502937194 /nfs/dbraw/zinc/93/71/94/502937194.db2.gz MBHYJCNFFOQUQN-KSZLIROESA-N 2 1 364.534 3.225 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591698 502943799 /nfs/dbraw/zinc/94/37/99/502943799.db2.gz RABBCQQMMROROT-WNRNVDISSA-N 2 1 364.534 3.081 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508352 502955092 /nfs/dbraw/zinc/95/50/92/502955092.db2.gz YAJLGJFDCUNKEV-FUHWJXTLSA-N 2 1 355.482 3.192 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Sc1ccccc1 ZINC000505760524 502980246 /nfs/dbraw/zinc/98/02/46/502980246.db2.gz TWRNUXRYQSCCPF-MSOLQXFVSA-N 2 1 363.571 3.042 20 0 FGADMP CCCc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000513655154 502991878 /nfs/dbraw/zinc/99/18/78/502991878.db2.gz LOTGLJKKRYOFMC-UHFFFAOYSA-N 2 1 371.569 3.405 20 0 FGADMP CC(C)COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000513690832 503001441 /nfs/dbraw/zinc/00/14/41/503001441.db2.gz MYSJFUNGRQTGLA-NRFANRHFSA-N 2 1 359.558 3.323 20 0 FGADMP CC(C)COc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000513690832 503001444 /nfs/dbraw/zinc/00/14/44/503001444.db2.gz MYSJFUNGRQTGLA-NRFANRHFSA-N 2 1 359.558 3.323 20 0 FGADMP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513696845 503002509 /nfs/dbraw/zinc/00/25/09/503002509.db2.gz FHMBURLOFSQZTO-BHDDXSALSA-N 2 1 352.526 3.472 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499207 503021348 /nfs/dbraw/zinc/02/13/48/503021348.db2.gz DPWKICAZDWOESR-DYXWJJEUSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)OCCO ZINC000489795874 503037578 /nfs/dbraw/zinc/03/75/78/503037578.db2.gz KTWZETFQISVKTI-PWRODBHTSA-N 2 1 360.542 3.054 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489801619 503038362 /nfs/dbraw/zinc/03/83/62/503038362.db2.gz PYDMEDVLNVSMDG-CQSZACIVSA-N 2 1 358.313 3.155 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489801619 503038366 /nfs/dbraw/zinc/03/83/66/503038366.db2.gz PYDMEDVLNVSMDG-CQSZACIVSA-N 2 1 358.313 3.155 20 0 FGADMP C[C@@H](c1cccs1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000513883161 503040910 /nfs/dbraw/zinc/04/09/10/503040910.db2.gz XPSWQBFBKMVUJQ-SFHVURJKSA-N 2 1 371.550 3.475 20 0 FGADMP C[C@@H](c1cccs1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000513883161 503040912 /nfs/dbraw/zinc/04/09/12/503040912.db2.gz XPSWQBFBKMVUJQ-SFHVURJKSA-N 2 1 371.550 3.475 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835315 503050246 /nfs/dbraw/zinc/05/02/46/503050246.db2.gz GCJHNIWJWBSBBE-BQFCYCMXSA-N 2 1 362.518 3.025 20 0 FGADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000510313090 503090172 /nfs/dbraw/zinc/09/01/72/503090172.db2.gz MQEJONUNXYKZGD-JKSUJKDBSA-N 2 1 357.498 3.487 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126583 503094610 /nfs/dbraw/zinc/09/46/10/503094610.db2.gz JVBWSLNJGKQUGJ-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000514126583 503094612 /nfs/dbraw/zinc/09/46/12/503094612.db2.gz JVBWSLNJGKQUGJ-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000514126583 503094615 /nfs/dbraw/zinc/09/46/15/503094615.db2.gz JVBWSLNJGKQUGJ-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344557 503095953 /nfs/dbraw/zinc/09/59/53/503095953.db2.gz COARARJJRFQMCC-UYAOXDASSA-N 2 1 370.541 3.092 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490171630 503122042 /nfs/dbraw/zinc/12/20/42/503122042.db2.gz GHZIECOLGFPUAH-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000490172700 503122308 /nfs/dbraw/zinc/12/23/08/503122308.db2.gz QCCZVTSGDRTULG-YLJYHZDGSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@]1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479664 503123411 /nfs/dbraw/zinc/12/34/11/503123411.db2.gz JNMNDFKYEZTFQP-YADHBBJMSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000514244795 503124306 /nfs/dbraw/zinc/12/43/06/503124306.db2.gz NFSGQVGFMDEFQL-HUUJSLGLSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)C1 ZINC000514244795 503124312 /nfs/dbraw/zinc/12/43/12/503124312.db2.gz NFSGQVGFMDEFQL-HUUJSLGLSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)C1 ZINC000514244795 503124314 /nfs/dbraw/zinc/12/43/14/503124314.db2.gz NFSGQVGFMDEFQL-HUUJSLGLSA-N 2 1 372.557 3.384 20 0 FGADMP C[N@@H+](CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)C1CCCCC1 ZINC000514605803 503147688 /nfs/dbraw/zinc/14/76/88/503147688.db2.gz QIOWZSLLVXQDIV-UHFFFAOYSA-N 2 1 357.542 3.223 20 0 FGADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000498270603 503147948 /nfs/dbraw/zinc/14/79/48/503147948.db2.gz AQSOZFNSULSHOR-YYWHXJBOSA-N 2 1 372.557 3.242 20 0 FGADMP CC[NH+](CC)CC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000502369993 503187907 /nfs/dbraw/zinc/18/79/07/503187907.db2.gz ZFSZGWPODOANEX-UHFFFAOYSA-N 2 1 363.505 3.242 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000502706711 503255197 /nfs/dbraw/zinc/25/51/97/503255197.db2.gz IJTZBBUPOXBXFU-SIKLNZKXSA-N 2 1 359.558 3.119 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000502706713 503255242 /nfs/dbraw/zinc/25/52/42/503255242.db2.gz IJTZBBUPOXBXFU-UGKGYDQZSA-N 2 1 359.558 3.119 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000502781477 503270778 /nfs/dbraw/zinc/27/07/78/503270778.db2.gz MUDLDNVMUZCGOT-SFHVURJKSA-N 2 1 360.546 3.289 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000491080683 503271001 /nfs/dbraw/zinc/27/10/01/503271001.db2.gz WGSALYCLCFKVEK-UHFFFAOYSA-N 2 1 374.573 3.068 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000491080683 503271005 /nfs/dbraw/zinc/27/10/05/503271005.db2.gz WGSALYCLCFKVEK-UHFFFAOYSA-N 2 1 374.573 3.068 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000491080683 503271007 /nfs/dbraw/zinc/27/10/07/503271007.db2.gz WGSALYCLCFKVEK-UHFFFAOYSA-N 2 1 374.573 3.068 20 0 FGADMP c1coc([C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+]2CCCCC2)c1 ZINC000498882764 503282240 /nfs/dbraw/zinc/28/22/40/503282240.db2.gz YZNNMTWEELJIBN-KRWDZBQOSA-N 2 1 355.486 3.121 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000502847564 503288078 /nfs/dbraw/zinc/28/80/78/503288078.db2.gz SEGJDVVNAHIMKO-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405872 503294896 /nfs/dbraw/zinc/29/48/96/503294896.db2.gz LVBYZIITWBZXQH-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405872 503294897 /nfs/dbraw/zinc/29/48/97/503294897.db2.gz LVBYZIITWBZXQH-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405872 503294899 /nfs/dbraw/zinc/29/48/99/503294899.db2.gz LVBYZIITWBZXQH-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000507462426 503302599 /nfs/dbraw/zinc/30/25/99/503302599.db2.gz OYJDEHWXBGCMGD-LAVFITLUSA-N 2 1 356.432 3.454 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668292 503366522 /nfs/dbraw/zinc/36/65/22/503366522.db2.gz SIHXMFWPGOTAKN-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000511668291 503366796 /nfs/dbraw/zinc/36/67/96/503366796.db2.gz SIHXMFWPGOTAKN-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc3ccccc23)CC1 ZINC000515576121 503367947 /nfs/dbraw/zinc/36/79/47/503367947.db2.gz CWKWGIGFBBIOGS-UHFFFAOYSA-N 2 1 352.463 3.300 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503376300 503396959 /nfs/dbraw/zinc/39/69/59/503396959.db2.gz KCUSKYGCHUUWDQ-KSZLIROESA-N 2 1 358.530 3.188 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000503376300 503396960 /nfs/dbraw/zinc/39/69/60/503396960.db2.gz KCUSKYGCHUUWDQ-KSZLIROESA-N 2 1 358.530 3.188 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000508012694 503412953 /nfs/dbraw/zinc/41/29/53/503412953.db2.gz LHYXNYDTTNCVJA-UHFFFAOYSA-N 2 1 355.526 3.230 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCC3)CC2)cc1 ZINC000508044149 503418298 /nfs/dbraw/zinc/41/82/98/503418298.db2.gz YZOKRNDGVFGGIC-UHFFFAOYSA-N 2 1 357.542 3.476 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000503485127 503419090 /nfs/dbraw/zinc/41/90/90/503419090.db2.gz GCMMYFFZEIIIKJ-CMKODMSKSA-N 2 1 373.541 3.078 20 0 FGADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000508068124 503422941 /nfs/dbraw/zinc/42/29/41/503422941.db2.gz LUFQLJFZNQGIQM-CEXWTWQISA-N 2 1 372.557 3.417 20 0 FGADMP C[C@H](NCc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511990225 503430223 /nfs/dbraw/zinc/43/02/23/503430223.db2.gz OAKFWIBYMPEAMG-WMZOPIPTSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@H](NCc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511990225 503430227 /nfs/dbraw/zinc/43/02/27/503430227.db2.gz OAKFWIBYMPEAMG-WMZOPIPTSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000512030053 503438737 /nfs/dbraw/zinc/43/87/37/503438737.db2.gz GSUHPTFFLBNHOI-LFUKPOHLSA-N 2 1 372.582 3.451 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000512030053 503438739 /nfs/dbraw/zinc/43/87/39/503438739.db2.gz GSUHPTFFLBNHOI-LFUKPOHLSA-N 2 1 372.582 3.451 20 0 FGADMP C[C@@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000499626872 503446467 /nfs/dbraw/zinc/44/64/67/503446467.db2.gz OYYNZYMOEHMJRL-IBGZPJMESA-N 2 1 369.553 3.026 20 0 FGADMP Cc1cc(C)n(-c2ccc(CC[NH2+]Cc3ncc(C[NH+](C)C)s3)cc2)n1 ZINC000512101880 503458330 /nfs/dbraw/zinc/45/83/30/503458330.db2.gz VRCOQOJEQRHJJM-UHFFFAOYSA-N 2 1 369.538 3.340 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940655 503462587 /nfs/dbraw/zinc/46/25/87/503462587.db2.gz JOWNEJGUQMQDTD-NSHGMRRFSA-N 2 1 360.546 3.097 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000508256260 503464656 /nfs/dbraw/zinc/46/46/56/503464656.db2.gz HAVBASKCAYAIEQ-OWFGXHLJSA-N 2 1 371.569 3.338 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000508256260 503464658 /nfs/dbraw/zinc/46/46/58/503464658.db2.gz HAVBASKCAYAIEQ-OWFGXHLJSA-N 2 1 371.569 3.338 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000493990776 503471353 /nfs/dbraw/zinc/47/13/53/503471353.db2.gz DCOLTAFITWCBHW-FQEVSTJZSA-N 2 1 359.514 3.364 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000494052919 503479885 /nfs/dbraw/zinc/47/98/85/503479885.db2.gz ZCPVVHUAGLKYDP-PKOBYXMFSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494052919 503479889 /nfs/dbraw/zinc/47/98/89/503479889.db2.gz ZCPVVHUAGLKYDP-PKOBYXMFSA-N 2 1 354.498 3.176 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1cccc2[nH]ccc21)c1ccccc1 ZINC000494087764 503485952 /nfs/dbraw/zinc/48/59/52/503485952.db2.gz HSRNCEKLIHVQDF-NRFANRHFSA-N 2 1 364.493 3.019 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000494264968 503515656 /nfs/dbraw/zinc/51/56/56/503515656.db2.gz LICXJWQAPAYZHT-OAQYLSRUSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294942 503521949 /nfs/dbraw/zinc/52/19/49/503521949.db2.gz FJKWMAUKLIEUBS-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494294942 503521954 /nfs/dbraw/zinc/52/19/54/503521954.db2.gz FJKWMAUKLIEUBS-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494294942 503521959 /nfs/dbraw/zinc/52/19/59/503521959.db2.gz FJKWMAUKLIEUBS-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+][C@@H](C(N)=O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512331700 503522090 /nfs/dbraw/zinc/52/20/90/503522090.db2.gz PFXUPIDZVHCJSU-YFVAEKQCSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326222 503525714 /nfs/dbraw/zinc/52/57/14/503525714.db2.gz GLMMJXRNJQEAJS-UTKZUKDTSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494326222 503525715 /nfs/dbraw/zinc/52/57/15/503525715.db2.gz GLMMJXRNJQEAJS-UTKZUKDTSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494326222 503525716 /nfs/dbraw/zinc/52/57/16/503525716.db2.gz GLMMJXRNJQEAJS-UTKZUKDTSA-N 2 1 355.526 3.304 20 0 FGADMP CCCn1c2ccccc2nc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512450991 503556317 /nfs/dbraw/zinc/55/63/17/503556317.db2.gz WPOPXXYXFLEHFH-UHFFFAOYSA-N 2 1 370.541 3.381 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000512545454 503581321 /nfs/dbraw/zinc/58/13/21/503581321.db2.gz OFIRUMFPSOCHCU-FPOVZHCZSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516767035 503582764 /nfs/dbraw/zinc/58/27/64/503582764.db2.gz MZWAFSMFSHGHFC-FHLIZLRMSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000516767035 503582766 /nfs/dbraw/zinc/58/27/66/503582766.db2.gz MZWAFSMFSHGHFC-FHLIZLRMSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672578 503589511 /nfs/dbraw/zinc/58/95/11/503589511.db2.gz ZZNXWGJCRLANFH-USXIJHARSA-N 2 1 371.447 3.188 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)ccn1 ZINC000512614153 503595552 /nfs/dbraw/zinc/59/55/52/503595552.db2.gz UYHJVGNOFFZHKM-PWRODBHTSA-N 2 1 351.494 3.481 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCNc4ccccn4)[C@H]3C2)cc1 ZINC000512627104 503597799 /nfs/dbraw/zinc/59/77/99/503597799.db2.gz ZYZGYGBMCSTVBA-PCCBWWKXSA-N 2 1 350.510 3.384 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1)CC1CC1 ZINC000508990827 503614676 /nfs/dbraw/zinc/61/46/76/503614676.db2.gz KDMJITKPDYBZMD-UHFFFAOYSA-N 2 1 359.514 3.202 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000500439235 503625727 /nfs/dbraw/zinc/62/57/27/503625727.db2.gz INCPOYCEVYVKHW-NRFANRHFSA-N 2 1 354.494 3.114 20 0 FGADMP C[C@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517019811 503645783 /nfs/dbraw/zinc/64/57/83/503645783.db2.gz PRWJFNZIZCPXBC-ICSRJNTNSA-N 2 1 372.557 3.248 20 0 FGADMP Cc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000495078938 503661317 /nfs/dbraw/zinc/66/13/17/503661317.db2.gz LNCFSKOLRLFWFX-FPOVZHCZSA-N 2 1 357.542 3.403 20 0 FGADMP Cc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078940 503661724 /nfs/dbraw/zinc/66/17/24/503661724.db2.gz LNCFSKOLRLFWFX-TZIWHRDSSA-N 2 1 357.542 3.403 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660019 503665665 /nfs/dbraw/zinc/66/56/65/503665665.db2.gz SHQPEUJZJKLZGG-PKOBYXMFSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660019 503665670 /nfs/dbraw/zinc/66/56/70/503665670.db2.gz SHQPEUJZJKLZGG-PKOBYXMFSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660019 503665677 /nfs/dbraw/zinc/66/56/77/503665677.db2.gz SHQPEUJZJKLZGG-PKOBYXMFSA-N 2 1 362.514 3.160 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000529717435 503676626 /nfs/dbraw/zinc/67/66/26/503676626.db2.gz GNCQHDWOBIUZNI-OAQYLSRUSA-N 2 1 355.526 3.419 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CCC(N3C(=O)c4ccccc4C3=O)CC2)CCCC1 ZINC000527116769 503685915 /nfs/dbraw/zinc/68/59/15/503685915.db2.gz BMTABDMRIWZFDO-UHFFFAOYSA-N 2 1 369.509 3.058 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1)CC(C)C ZINC000540272005 503727515 /nfs/dbraw/zinc/72/75/15/503727515.db2.gz YNAZHFXXSOXWCV-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1)CC(C)C ZINC000540272005 503727523 /nfs/dbraw/zinc/72/75/23/503727523.db2.gz YNAZHFXXSOXWCV-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1)CC(C)C ZINC000540272005 503727531 /nfs/dbraw/zinc/72/75/31/503727531.db2.gz YNAZHFXXSOXWCV-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000517420377 503741545 /nfs/dbraw/zinc/74/15/45/503741545.db2.gz LWBBNWFOGZHWPM-KDURUIRLSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1cc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404672 503756659 /nfs/dbraw/zinc/75/66/59/503756659.db2.gz PYYUUAJWSZDWNA-RBBKRZOGSA-N 2 1 371.500 3.445 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@H](C)C1 ZINC000543405470 503757155 /nfs/dbraw/zinc/75/71/55/503757155.db2.gz XINKYULUWROKSN-JYWFKMLOSA-N 2 1 357.542 3.298 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000543418285 503762157 /nfs/dbraw/zinc/76/21/57/503762157.db2.gz RZHCQVPREJWVGZ-CZUORRHYSA-N 2 1 355.320 3.320 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000517555936 503770151 /nfs/dbraw/zinc/77/01/51/503770151.db2.gz BUMLIELAFIRKMR-WTIAFYNJSA-N 2 1 352.522 3.480 20 0 FGADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000546574972 503793132 /nfs/dbraw/zinc/79/31/32/503793132.db2.gz OIJRVOZQHOHMOO-GCJKJVERSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1ccccc1COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546574972 503793136 /nfs/dbraw/zinc/79/31/36/503793136.db2.gz OIJRVOZQHOHMOO-GCJKJVERSA-N 2 1 354.494 3.291 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093266 503800911 /nfs/dbraw/zinc/80/09/11/503800911.db2.gz FPRCQRBTQFYCSE-VLVHOKLOSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093266 503800915 /nfs/dbraw/zinc/80/09/15/503800915.db2.gz FPRCQRBTQFYCSE-VLVHOKLOSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093266 503800921 /nfs/dbraw/zinc/80/09/21/503800921.db2.gz FPRCQRBTQFYCSE-VLVHOKLOSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093266 503800924 /nfs/dbraw/zinc/80/09/24/503800924.db2.gz FPRCQRBTQFYCSE-VLVHOKLOSA-N 2 1 373.585 3.126 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)C[C@H]3C)cc2)C[C@H]1C ZINC000537093266 503800931 /nfs/dbraw/zinc/80/09/31/503800931.db2.gz FPRCQRBTQFYCSE-VLVHOKLOSA-N 2 1 373.585 3.126 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889397 503859687 /nfs/dbraw/zinc/85/96/87/503859687.db2.gz KZGQTCIRZWIBKI-TYPHKJRUSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000517922485 503867797 /nfs/dbraw/zinc/86/77/97/503867797.db2.gz KIMKLZICLMDXGY-FQEVSTJZSA-N 2 1 360.473 3.195 20 0 FGADMP OC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC(c2ccccc2)CC1 ZINC000530231315 503883649 /nfs/dbraw/zinc/88/36/49/503883649.db2.gz ONYMTKZNZHGCTG-UHFFFAOYSA-N 2 1 372.553 3.310 20 0 FGADMP CC(C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540827011 503906602 /nfs/dbraw/zinc/90/66/02/503906602.db2.gz QGVSQJSBMDTELV-FGZHOGPDSA-N 2 1 364.574 3.405 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527792934 503946287 /nfs/dbraw/zinc/94/62/87/503946287.db2.gz YRSSMMZKEFLRDP-FQEVSTJZSA-N 2 1 362.562 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)CC[N@@H+]1Cc1ccccc1 ZINC000527806538 503953605 /nfs/dbraw/zinc/95/36/05/503953605.db2.gz JHUJQFQYIMRUEW-ZWCUEREDSA-N 2 1 363.505 3.456 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)CC[N@H+]1Cc1ccccc1 ZINC000527806538 503953608 /nfs/dbraw/zinc/95/36/08/503953608.db2.gz JHUJQFQYIMRUEW-ZWCUEREDSA-N 2 1 363.505 3.456 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C3CCC3)c2)CC1 ZINC000540956321 503953684 /nfs/dbraw/zinc/95/36/84/503953684.db2.gz JDJHASOCYMMIOX-UHFFFAOYSA-N 2 1 350.466 3.353 20 0 FGADMP CC(C)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1CCCC1 ZINC000527814961 503957566 /nfs/dbraw/zinc/95/75/66/503957566.db2.gz AMUNWKZSXOOUCW-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(=O)N1CCCC1 ZINC000527814961 503957570 /nfs/dbraw/zinc/95/75/70/503957570.db2.gz AMUNWKZSXOOUCW-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361709 503963089 /nfs/dbraw/zinc/96/30/89/503963089.db2.gz DQNWFWOEXQLFQC-AEFFLSMTSA-N 2 1 354.922 3.037 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000543995401 503965212 /nfs/dbraw/zinc/96/52/12/503965212.db2.gz IVPINIAJEIDKET-VTLFHKLASA-N 2 1 354.469 3.298 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543995401 503965217 /nfs/dbraw/zinc/96/52/17/503965217.db2.gz IVPINIAJEIDKET-VTLFHKLASA-N 2 1 354.469 3.298 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H]1CC12CC2 ZINC000527859860 503975810 /nfs/dbraw/zinc/97/58/10/503975810.db2.gz RMOXCCYWRYQMQR-LAUBAEHRSA-N 2 1 358.526 3.454 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)nc(C)[nH+]1 ZINC000530545625 504004013 /nfs/dbraw/zinc/00/40/13/504004013.db2.gz AFHYXPPSUFJJEU-YZGWKJHDSA-N 2 1 358.530 3.247 20 0 FGADMP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527941408 504008247 /nfs/dbraw/zinc/00/82/47/504008247.db2.gz YVQOBGHOLOQULL-CGTJXYLNSA-N 2 1 366.431 3.487 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CC=CCC1 ZINC000544112240 504011990 /nfs/dbraw/zinc/01/19/90/504011990.db2.gz WOHDSTGSUOOMJV-FQEVSTJZSA-N 2 1 355.526 3.187 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000527991436 504029531 /nfs/dbraw/zinc/02/95/31/504029531.db2.gz VPJIFAULTGSIDA-QHAWAJNXSA-N 2 1 351.494 3.133 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000530664416 504045009 /nfs/dbraw/zinc/04/50/09/504045009.db2.gz ZZKJGYZOXVIONT-CYBMUJFWSA-N 2 1 371.437 3.159 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000537946345 504091270 /nfs/dbraw/zinc/09/12/70/504091270.db2.gz AREGZVCIQAKBGP-MQSCRBSSSA-N 2 1 373.585 3.406 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000530814767 504095050 /nfs/dbraw/zinc/09/50/50/504095050.db2.gz SPGNGQYSGCXSBN-MRXNPFEDSA-N 2 1 359.436 3.156 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000530820701 504095888 /nfs/dbraw/zinc/09/58/88/504095888.db2.gz LKAJGWRDEOLSPM-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000530820701 504095895 /nfs/dbraw/zinc/09/58/95/504095895.db2.gz LKAJGWRDEOLSPM-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000528152407 504095937 /nfs/dbraw/zinc/09/59/37/504095937.db2.gz ZVNHCEQPEONVOK-MSOLQXFVSA-N 2 1 368.456 3.105 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355485 504101126 /nfs/dbraw/zinc/10/11/26/504101126.db2.gz RYLLTNQPUPRKLI-PZJWPPBQSA-N 2 1 357.473 3.137 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355484 504101276 /nfs/dbraw/zinc/10/12/76/504101276.db2.gz RYLLTNQPUPRKLI-FPOVZHCZSA-N 2 1 357.473 3.137 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537986323 504103438 /nfs/dbraw/zinc/10/34/38/504103438.db2.gz IIVBXTOZVWXAGF-PGRDOPGGSA-N 2 1 365.521 3.437 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537986323 504103443 /nfs/dbraw/zinc/10/34/43/504103443.db2.gz IIVBXTOZVWXAGF-PGRDOPGGSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000518969660 504105963 /nfs/dbraw/zinc/10/59/63/504105963.db2.gz MOYPAFXISQIESO-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969660 504105970 /nfs/dbraw/zinc/10/59/70/504105970.db2.gz MOYPAFXISQIESO-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969660 504105974 /nfs/dbraw/zinc/10/59/74/504105974.db2.gz MOYPAFXISQIESO-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424523 504128366 /nfs/dbraw/zinc/12/83/66/504128366.db2.gz NHOHQFDPAPOZHA-QKNQBKEWSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424523 504128373 /nfs/dbraw/zinc/12/83/73/504128373.db2.gz NHOHQFDPAPOZHA-QKNQBKEWSA-N 2 1 371.569 3.285 20 0 FGADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1 ZINC000530913278 504128949 /nfs/dbraw/zinc/12/89/49/504128949.db2.gz MDJNLEMTOUIQMO-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP C[NH+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000530913278 504128952 /nfs/dbraw/zinc/12/89/52/504128952.db2.gz MDJNLEMTOUIQMO-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP C[NH+](CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000530913278 504128959 /nfs/dbraw/zinc/12/89/59/504128959.db2.gz MDJNLEMTOUIQMO-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000519078354 504134128 /nfs/dbraw/zinc/13/41/28/504134128.db2.gz OMJVULDRONTKNV-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1 ZINC000544439493 504135591 /nfs/dbraw/zinc/13/55/91/504135591.db2.gz ZJQADBUISRYAGV-VNTMZGSJSA-N 2 1 368.606 3.080 20 0 FGADMP Cc1ccc([C@H](C)[NH2+][C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538128434 504138808 /nfs/dbraw/zinc/13/88/08/504138808.db2.gz OWJZRVKTTZZPCS-CNNODRBYSA-N 2 1 365.521 3.425 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528287203 504149174 /nfs/dbraw/zinc/14/91/74/504149174.db2.gz IJTIQBZSPFYWLZ-HXUWFJFHSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538196414 504159075 /nfs/dbraw/zinc/15/90/75/504159075.db2.gz GDQJNQSHKNHCKT-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538196416 504159289 /nfs/dbraw/zinc/15/92/89/504159289.db2.gz GDQJNQSHKNHCKT-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534440 504166996 /nfs/dbraw/zinc/16/69/96/504166996.db2.gz QBKQGHIORJOKGR-AEFFLSMTSA-N 2 1 369.513 3.093 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)c1 ZINC000544580035 504181153 /nfs/dbraw/zinc/18/11/53/504181153.db2.gz GQYKYRYLIQXEBN-JOCHJYFZSA-N 2 1 362.477 3.296 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276011 504184815 /nfs/dbraw/zinc/18/48/15/504184815.db2.gz MFCQKGFZCATSIY-QUCCMNQESA-N 2 1 357.542 3.296 20 0 FGADMP C[C@@H]1CCCN(CC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276011 504184819 /nfs/dbraw/zinc/18/48/19/504184819.db2.gz MFCQKGFZCATSIY-QUCCMNQESA-N 2 1 357.542 3.296 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139522 504202707 /nfs/dbraw/zinc/20/27/07/504202707.db2.gz CBLKDEFQCJWYFC-NJAFHUGGSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139522 504202710 /nfs/dbraw/zinc/20/27/10/504202710.db2.gz CBLKDEFQCJWYFC-NJAFHUGGSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COCc2ccccc2Cl)C[C@H]1C ZINC000531139522 504202715 /nfs/dbraw/zinc/20/27/15/504202715.db2.gz CBLKDEFQCJWYFC-NJAFHUGGSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000531343397 504273820 /nfs/dbraw/zinc/27/38/20/504273820.db2.gz JFJMXHGBTHVFJC-CYBMUJFWSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000531343397 504273822 /nfs/dbraw/zinc/27/38/22/504273822.db2.gz JFJMXHGBTHVFJC-CYBMUJFWSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000534721165 504223789 /nfs/dbraw/zinc/22/37/89/504223789.db2.gz KRGBQOZHLIZBFS-LEWJYISDSA-N 2 1 372.557 3.195 20 0 FGADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H](C)[C@H]1OC ZINC000538406200 504238196 /nfs/dbraw/zinc/23/81/96/504238196.db2.gz SPUDMUAFWQZWGT-IPMKNSEASA-N 2 1 352.563 3.451 20 0 FGADMP c1c[nH]c(CN2CC[NH+](Cc3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC000531257527 504246138 /nfs/dbraw/zinc/24/61/38/504246138.db2.gz WSYBDVNQUMJCMX-UHFFFAOYSA-N 2 1 362.477 3.307 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282824 504251686 /nfs/dbraw/zinc/25/16/86/504251686.db2.gz NZEVCKYTRKSPOH-CTNGQTDRSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000531282824 504251690 /nfs/dbraw/zinc/25/16/90/504251690.db2.gz NZEVCKYTRKSPOH-CTNGQTDRSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000531282824 504251697 /nfs/dbraw/zinc/25/16/97/504251697.db2.gz NZEVCKYTRKSPOH-CTNGQTDRSA-N 2 1 357.542 3.422 20 0 FGADMP CC[C@@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](CC)CC ZINC000531294176 504255264 /nfs/dbraw/zinc/25/52/64/504255264.db2.gz DJHSWUAMPNLELX-QKLQHJQFSA-N 2 1 361.530 3.355 20 0 FGADMP CC[C@@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+](CC)CC ZINC000531294176 504255269 /nfs/dbraw/zinc/25/52/69/504255269.db2.gz DJHSWUAMPNLELX-QKLQHJQFSA-N 2 1 361.530 3.355 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@]12CCCO2 ZINC000544832736 504274089 /nfs/dbraw/zinc/27/40/89/504274089.db2.gz MYIFUDPPRPNXQL-VOFPXKNKSA-N 2 1 358.526 3.213 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@]12CCCO2 ZINC000544832736 504274092 /nfs/dbraw/zinc/27/40/92/504274092.db2.gz MYIFUDPPRPNXQL-VOFPXKNKSA-N 2 1 358.526 3.213 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922997 504303359 /nfs/dbraw/zinc/30/33/59/504303359.db2.gz WOPMHLSBLXGFPR-SJLPKXTDSA-N 2 1 355.482 3.192 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720177 504342484 /nfs/dbraw/zinc/34/24/84/504342484.db2.gz KYBHCWKCIKXFIW-QAPCUYQASA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720177 504342488 /nfs/dbraw/zinc/34/24/88/504342488.db2.gz KYBHCWKCIKXFIW-QAPCUYQASA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720177 504342495 /nfs/dbraw/zinc/34/24/95/504342495.db2.gz KYBHCWKCIKXFIW-QAPCUYQASA-N 2 1 358.486 3.262 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000519920159 504383859 /nfs/dbraw/zinc/38/38/59/504383859.db2.gz QGJOQRUDIZBIJL-CUXKYVRBSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519920159 504383860 /nfs/dbraw/zinc/38/38/60/504383860.db2.gz QGJOQRUDIZBIJL-CUXKYVRBSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519920159 504383863 /nfs/dbraw/zinc/38/38/63/504383863.db2.gz QGJOQRUDIZBIJL-CUXKYVRBSA-N 2 1 371.569 3.381 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1F ZINC000531710647 504400032 /nfs/dbraw/zinc/40/00/32/504400032.db2.gz LJICWRQPKPQONB-LAUBAEHRSA-N 2 1 371.500 3.474 20 0 FGADMP CCc1cnc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000542317193 504447838 /nfs/dbraw/zinc/44/78/38/504447838.db2.gz CWRBDKCDDKFLTR-UHFFFAOYSA-N 2 1 372.582 3.393 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505657 504454323 /nfs/dbraw/zinc/45/43/23/504454323.db2.gz KSHZBURUNRRNGN-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505657 504454328 /nfs/dbraw/zinc/45/43/28/504454328.db2.gz KSHZBURUNRRNGN-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505657 504454332 /nfs/dbraw/zinc/45/43/32/504454332.db2.gz KSHZBURUNRRNGN-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000535505657 504454334 /nfs/dbraw/zinc/45/43/34/504454334.db2.gz KSHZBURUNRRNGN-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483522 504461199 /nfs/dbraw/zinc/46/11/99/504461199.db2.gz CDDVQYRHYLNWGH-CTNGQTDRSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483522 504461204 /nfs/dbraw/zinc/46/12/04/504461204.db2.gz CDDVQYRHYLNWGH-CTNGQTDRSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483522 504461211 /nfs/dbraw/zinc/46/12/11/504461211.db2.gz CDDVQYRHYLNWGH-CTNGQTDRSA-N 2 1 373.585 3.376 20 0 FGADMP CN1C(=O)C[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312375 504462403 /nfs/dbraw/zinc/46/24/03/504462403.db2.gz JRDRIDSPSYXSFK-BJZITVGISA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312375 504462408 /nfs/dbraw/zinc/46/24/08/504462408.db2.gz JRDRIDSPSYXSFK-BJZITVGISA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312375 504462414 /nfs/dbraw/zinc/46/24/14/504462414.db2.gz JRDRIDSPSYXSFK-BJZITVGISA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312377 504463348 /nfs/dbraw/zinc/46/33/48/504463348.db2.gz JRDRIDSPSYXSFK-LJHODMEESA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312377 504463354 /nfs/dbraw/zinc/46/33/54/504463354.db2.gz JRDRIDSPSYXSFK-LJHODMEESA-N 2 1 367.896 3.215 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520312377 504463356 /nfs/dbraw/zinc/46/33/56/504463356.db2.gz JRDRIDSPSYXSFK-LJHODMEESA-N 2 1 367.896 3.215 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1)CC(C)C ZINC000539098523 504471920 /nfs/dbraw/zinc/47/19/20/504471920.db2.gz SJDONRJDSDRNSD-HXUWFJFHSA-N 2 1 363.521 3.432 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1)CC(C)C ZINC000539098523 504471921 /nfs/dbraw/zinc/47/19/21/504471921.db2.gz SJDONRJDSDRNSD-HXUWFJFHSA-N 2 1 363.521 3.432 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000531932543 504479138 /nfs/dbraw/zinc/47/91/38/504479138.db2.gz OQSOBJPBYIXFJJ-SJLPKXTDSA-N 2 1 361.559 3.165 20 0 FGADMP Cc1nc(C)c([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932888 504479718 /nfs/dbraw/zinc/47/97/18/504479718.db2.gz STBLPXNJDAJISA-XJKSGUPXSA-N 2 1 364.584 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000539149875 504488648 /nfs/dbraw/zinc/48/86/48/504488648.db2.gz SKGOMTZPYNDDAC-CALCHBBNSA-N 2 1 366.933 3.430 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000539149875 504488653 /nfs/dbraw/zinc/48/86/53/504488653.db2.gz SKGOMTZPYNDDAC-CALCHBBNSA-N 2 1 366.933 3.430 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@H]1CCCO1 ZINC000542493601 504512186 /nfs/dbraw/zinc/51/21/86/504512186.db2.gz GKSZBJMBAUMCNH-VQQMMKBISA-N 2 1 360.542 3.353 20 0 FGADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254723 504513529 /nfs/dbraw/zinc/51/35/29/504513529.db2.gz RDFTYSSYFYPQJQ-IEBWSBKVSA-N 2 1 361.530 3.069 20 0 FGADMP CC[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254723 504513533 /nfs/dbraw/zinc/51/35/33/504513533.db2.gz RDFTYSSYFYPQJQ-IEBWSBKVSA-N 2 1 361.530 3.069 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000539294777 504521833 /nfs/dbraw/zinc/52/18/33/504521833.db2.gz GUNMWGJCFGRCHD-QUCCMNQESA-N 2 1 361.917 3.076 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2cc(Cl)ccc21 ZINC000539320799 504529161 /nfs/dbraw/zinc/52/91/61/504529161.db2.gz YSUJJGLMWTWNIB-FUHWJXTLSA-N 2 1 352.906 3.380 20 0 FGADMP C[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730142 504544389 /nfs/dbraw/zinc/54/43/89/504544389.db2.gz NGFVXKUYIDUCRT-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663365 504551366 /nfs/dbraw/zinc/55/13/66/504551366.db2.gz JRPBUSHSKXWASR-FGTMMUONSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663365 504551370 /nfs/dbraw/zinc/55/13/70/504551370.db2.gz JRPBUSHSKXWASR-FGTMMUONSA-N 2 1 356.432 3.386 20 0 FGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188695 504567519 /nfs/dbraw/zinc/56/75/19/504567519.db2.gz ZUQLDYLMBUMENV-SJLPKXTDSA-N 2 1 359.539 3.396 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000532212894 504574249 /nfs/dbraw/zinc/57/42/49/504574249.db2.gz LQUMOOFOHKGGDZ-UNMCSNQZSA-N 2 1 372.484 3.164 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C12CCCC2 ZINC000539499799 504591495 /nfs/dbraw/zinc/59/14/95/504591495.db2.gz KLGFHNVYWLPIJD-SFTDATJTSA-N 2 1 358.526 3.346 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C12CCC2 ZINC000539500232 504591880 /nfs/dbraw/zinc/59/18/80/504591880.db2.gz VIRXHMHIQJEIFW-VXKWHMMOSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000521016936 504631710 /nfs/dbraw/zinc/63/17/10/504631710.db2.gz IXBWIBJVPNOFII-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@@H]1OC ZINC000542847838 504633697 /nfs/dbraw/zinc/63/36/97/504633697.db2.gz YCUJYJMDDMGNLH-HBMCJLEFSA-N 2 1 360.542 3.327 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000521054259 504638529 /nfs/dbraw/zinc/63/85/29/504638529.db2.gz QXSXPDSVYUDVRJ-GPMSIDNRSA-N 2 1 365.949 3.427 20 0 FGADMP COc1ccc2oc([C@@H](C)[NH2+]CCCCN3CC[NH+](C)CC3)c(C)c2c1 ZINC000532449862 504655533 /nfs/dbraw/zinc/65/55/33/504655533.db2.gz SBWWRYXSVKKNPC-QGZVFWFLSA-N 2 1 359.514 3.428 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000542948827 504669752 /nfs/dbraw/zinc/66/97/52/504669752.db2.gz BUWNSMLGOHBDFK-INIZCTEOSA-N 2 1 369.431 3.273 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539742299 504671918 /nfs/dbraw/zinc/67/19/18/504671918.db2.gz WXRLNMHDZCRUHW-UWJYYQICSA-N 2 1 366.509 3.159 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539742299 504671921 /nfs/dbraw/zinc/67/19/21/504671921.db2.gz WXRLNMHDZCRUHW-UWJYYQICSA-N 2 1 366.509 3.159 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521766 504680795 /nfs/dbraw/zinc/68/07/95/504680795.db2.gz MMHWKWGIEKEXSS-ZWNOBZJWSA-N 2 1 350.816 3.096 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589543 504704664 /nfs/dbraw/zinc/70/46/64/504704664.db2.gz LFVMGXRBVVYADB-PKOBYXMFSA-N 2 1 356.514 3.304 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)C[C@@H]1C ZINC000532589543 504704671 /nfs/dbraw/zinc/70/46/71/504704671.db2.gz LFVMGXRBVVYADB-PKOBYXMFSA-N 2 1 356.514 3.304 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000539832367 504709077 /nfs/dbraw/zinc/70/90/77/504709077.db2.gz QRWWOGVUOBRPQZ-UHFFFAOYSA-N 2 1 368.905 3.044 20 0 FGADMP CC[NH+](CC)CCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549171668 504711659 /nfs/dbraw/zinc/71/16/59/504711659.db2.gz FAEQUXHPNZUJGW-SJLPKXTDSA-N 2 1 355.885 3.072 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000536535643 504756685 /nfs/dbraw/zinc/75/66/85/504756685.db2.gz SMOOQLUBQSUOCA-FQEVSTJZSA-N 2 1 361.505 3.373 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(c4ccccc4)CC3)CC2)CC1 ZINC000552906832 504786237 /nfs/dbraw/zinc/78/62/37/504786237.db2.gz BZQAMGUHRQOFLY-UHFFFAOYSA-N 2 1 369.553 3.031 20 0 FGADMP CCn1nccc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348763 504797708 /nfs/dbraw/zinc/79/77/08/504797708.db2.gz NHBYSFMUYAVYSC-IRLDBZIGSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348763 504797711 /nfs/dbraw/zinc/79/77/11/504797711.db2.gz NHBYSFMUYAVYSC-IRLDBZIGSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549348763 504797716 /nfs/dbraw/zinc/79/77/16/504797716.db2.gz NHBYSFMUYAVYSC-IRLDBZIGSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549348763 504797721 /nfs/dbraw/zinc/79/77/21/504797721.db2.gz NHBYSFMUYAVYSC-IRLDBZIGSA-N 2 1 352.526 3.432 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556117689 504800501 /nfs/dbraw/zinc/80/05/01/504800501.db2.gz FMQMQHAVHZDAQZ-SIKLNZKXSA-N 2 1 367.493 3.449 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000556117689 504800506 /nfs/dbraw/zinc/80/05/06/504800506.db2.gz FMQMQHAVHZDAQZ-SIKLNZKXSA-N 2 1 367.493 3.449 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)c3cccs3)CC2)CC1 ZINC000553005565 504803055 /nfs/dbraw/zinc/80/30/55/504803055.db2.gz SRLLSCOYGAKOTR-INIZCTEOSA-N 2 1 363.571 3.464 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000565164081 504813637 /nfs/dbraw/zinc/81/36/37/504813637.db2.gz MAHVNLNAWSUCBY-UHFFFAOYSA-N 2 1 355.269 3.230 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000565164081 504813641 /nfs/dbraw/zinc/81/36/41/504813641.db2.gz MAHVNLNAWSUCBY-UHFFFAOYSA-N 2 1 355.269 3.230 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)cc1 ZINC000559295854 504822644 /nfs/dbraw/zinc/82/26/44/504822644.db2.gz MQHCROYNHROYSM-UHFFFAOYSA-N 2 1 372.557 3.123 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234069 504824945 /nfs/dbraw/zinc/82/49/45/504824945.db2.gz ULBDCTFLYCSEFW-QAPCUYQASA-N 2 1 373.463 3.370 20 0 FGADMP Cc1nocc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326971 504835207 /nfs/dbraw/zinc/83/52/07/504835207.db2.gz UXRHSBHZAYUUAV-FQEVSTJZSA-N 2 1 355.482 3.001 20 0 FGADMP Cc1nocc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326971 504835208 /nfs/dbraw/zinc/83/52/08/504835208.db2.gz UXRHSBHZAYUUAV-FQEVSTJZSA-N 2 1 355.482 3.001 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000565285490 504842704 /nfs/dbraw/zinc/84/27/04/504842704.db2.gz LBLGSUVMLAMSEZ-UHFFFAOYSA-N 2 1 374.529 3.207 20 0 FGADMP CC(C)(C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1)c1cnc[nH]1 ZINC000553260489 504866231 /nfs/dbraw/zinc/86/62/31/504866231.db2.gz OFMLXMYKXWOOQW-UHFFFAOYSA-N 2 1 361.449 3.284 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(Cl)ccc1F ZINC000565384318 504871642 /nfs/dbraw/zinc/87/16/42/504871642.db2.gz HMTBDBAZIPIZMZ-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549771315 504893651 /nfs/dbraw/zinc/89/36/51/504893651.db2.gz JQFWOLGVXFYBDO-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000565509512 504907680 /nfs/dbraw/zinc/90/76/80/504907680.db2.gz YRNQPGWSAHZEBK-HXUWFJFHSA-N 3 1 358.574 3.039 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000565509512 504907685 /nfs/dbraw/zinc/90/76/85/504907685.db2.gz YRNQPGWSAHZEBK-HXUWFJFHSA-N 2 1 358.574 3.039 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000565509512 504907690 /nfs/dbraw/zinc/90/76/90/504907690.db2.gz YRNQPGWSAHZEBK-HXUWFJFHSA-N 2 1 358.574 3.039 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559737955 504919544 /nfs/dbraw/zinc/91/95/44/504919544.db2.gz YSVPPVTVDZWQST-UKAVVXHISA-N 2 1 359.558 3.299 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@@H](C)O1 ZINC000559737955 504919546 /nfs/dbraw/zinc/91/95/46/504919546.db2.gz YSVPPVTVDZWQST-UKAVVXHISA-N 2 1 359.558 3.299 20 0 FGADMP Cn1cccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879863 504924140 /nfs/dbraw/zinc/92/41/40/504924140.db2.gz NPEYVHGNVDCFGI-FQEVSTJZSA-N 2 1 353.510 3.044 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000553599859 504959047 /nfs/dbraw/zinc/95/90/47/504959047.db2.gz LQTULTYPUXZCJA-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000562878774 504973654 /nfs/dbraw/zinc/97/36/54/504973654.db2.gz ZZUBUVQAHTUPPP-CMKODMSKSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000560094545 504990704 /nfs/dbraw/zinc/99/07/04/504990704.db2.gz QEHAIDHMZZKFLU-GOSISDBHSA-N 2 1 370.541 3.051 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000560114940 504996179 /nfs/dbraw/zinc/99/61/79/504996179.db2.gz GLWLSCJNQZRBDQ-GOSISDBHSA-N 2 1 373.545 3.063 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000560114940 504996181 /nfs/dbraw/zinc/99/61/81/504996181.db2.gz GLWLSCJNQZRBDQ-GOSISDBHSA-N 2 1 373.545 3.063 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238609 504999588 /nfs/dbraw/zinc/99/95/88/504999588.db2.gz KOOAKWSHCHPWGF-REWPJTCUSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238609 504999590 /nfs/dbraw/zinc/99/95/90/504999590.db2.gz KOOAKWSHCHPWGF-REWPJTCUSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238609 504999594 /nfs/dbraw/zinc/99/95/94/504999594.db2.gz KOOAKWSHCHPWGF-REWPJTCUSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238609 504999597 /nfs/dbraw/zinc/99/95/97/504999597.db2.gz KOOAKWSHCHPWGF-REWPJTCUSA-N 2 1 374.569 3.450 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)cc1)C1CC1 ZINC000553774987 505006401 /nfs/dbraw/zinc/00/64/01/505006401.db2.gz PKQHTZXQCKLECW-UTKZUKDTSA-N 2 1 355.526 3.370 20 0 FGADMP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000556916898 505016278 /nfs/dbraw/zinc/01/62/78/505016278.db2.gz WWXKFCKJESGOJG-SFHVURJKSA-N 2 1 367.484 3.197 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nsc2ccc(C)cc21 ZINC000550387850 505031526 /nfs/dbraw/zinc/03/15/26/505031526.db2.gz USWDGOCQXQEHRB-MRXNPFEDSA-N 2 1 374.554 3.093 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121801 505053410 /nfs/dbraw/zinc/05/34/10/505053410.db2.gz GEWBOJLOAAMIFN-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000563121801 505053416 /nfs/dbraw/zinc/05/34/16/505053416.db2.gz GEWBOJLOAAMIFN-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000563122787 505053869 /nfs/dbraw/zinc/05/38/69/505053869.db2.gz DMJGFNHOZQTMLZ-IYWMVGAKSA-N 2 1 355.526 3.171 20 0 FGADMP CC(C)(C)N1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000563122787 505053870 /nfs/dbraw/zinc/05/38/70/505053870.db2.gz DMJGFNHOZQTMLZ-IYWMVGAKSA-N 2 1 355.526 3.171 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nccc4sccc43)CC2)CC1 ZINC000566018497 505056991 /nfs/dbraw/zinc/05/69/91/505056991.db2.gz GGUOCZUQXDWJNO-UHFFFAOYSA-N 2 1 372.538 3.431 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(=O)[nH]1 ZINC000560355836 505057215 /nfs/dbraw/zinc/05/72/15/505057215.db2.gz YGHWLQSWKRAXCI-ZCNNSNEGSA-N 2 1 352.482 3.023 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(=O)[nH]1 ZINC000560355836 505057217 /nfs/dbraw/zinc/05/72/17/505057217.db2.gz YGHWLQSWKRAXCI-ZCNNSNEGSA-N 2 1 352.482 3.023 20 0 FGADMP COc1ccc2cc([C@H](C)[NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)ccc2c1 ZINC000566063304 505069512 /nfs/dbraw/zinc/06/95/12/505069512.db2.gz OEGYXTOPCXDNTG-AWEZNQCLSA-N 2 1 365.481 3.284 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccnc4ccccc34)CC2)CC1 ZINC000566077566 505074081 /nfs/dbraw/zinc/07/40/81/505074081.db2.gz AWBZOBAVYAQQBX-UHFFFAOYSA-N 2 1 352.526 3.227 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550682067 505084287 /nfs/dbraw/zinc/08/42/87/505084287.db2.gz ULMGPVVLEFYAKD-SJBKTWHCSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000550682067 505084290 /nfs/dbraw/zinc/08/42/90/505084290.db2.gz ULMGPVVLEFYAKD-SJBKTWHCSA-N 2 1 365.606 3.461 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)s1 ZINC000560482885 505099887 /nfs/dbraw/zinc/09/98/87/505099887.db2.gz BQQWOTQIVSNVTJ-JQHSSLGASA-N 2 1 363.571 3.067 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)s1 ZINC000560482885 505099889 /nfs/dbraw/zinc/09/98/89/505099889.db2.gz BQQWOTQIVSNVTJ-JQHSSLGASA-N 2 1 363.571 3.067 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)s1 ZINC000560482885 505099891 /nfs/dbraw/zinc/09/98/91/505099891.db2.gz BQQWOTQIVSNVTJ-JQHSSLGASA-N 2 1 363.571 3.067 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550794960 505103042 /nfs/dbraw/zinc/10/30/42/505103042.db2.gz NOLKTQHHVWNMCZ-BLKABHOGSA-N 2 1 368.525 3.406 20 0 FGADMP CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550794960 505103045 /nfs/dbraw/zinc/10/30/45/505103045.db2.gz NOLKTQHHVWNMCZ-BLKABHOGSA-N 2 1 368.525 3.406 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)cc1 ZINC000557279441 505103507 /nfs/dbraw/zinc/10/35/07/505103507.db2.gz HXNJFQJSAQGHQG-NRFANRHFSA-N 2 1 358.526 3.011 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000566181572 505106051 /nfs/dbraw/zinc/10/60/51/505106051.db2.gz PAVNGGVLQWQMMN-VQTJNVASSA-N 2 1 359.558 3.381 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccccc2-n2ccnn2)[C@@H](C)C1 ZINC000560524571 505114615 /nfs/dbraw/zinc/11/46/15/505114615.db2.gz GKBMMFPHZUOJRU-NSHGMRRFSA-N 2 1 371.529 3.055 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000551021548 505144210 /nfs/dbraw/zinc/14/42/10/505144210.db2.gz GWQQSDHAFWPJEH-NRFANRHFSA-N 2 1 366.509 3.139 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)c1 ZINC000551021548 505144212 /nfs/dbraw/zinc/14/42/12/505144212.db2.gz GWQQSDHAFWPJEH-NRFANRHFSA-N 2 1 366.509 3.139 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)C[C@H]1c1ccccc1 ZINC000551051162 505148284 /nfs/dbraw/zinc/14/82/84/505148284.db2.gz OGMQQFCIIOPOSW-JTAQYXEDSA-N 2 1 363.505 3.496 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)C[C@H]1c1ccccc1 ZINC000551051162 505148286 /nfs/dbraw/zinc/14/82/86/505148286.db2.gz OGMQQFCIIOPOSW-JTAQYXEDSA-N 2 1 363.505 3.496 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577163 505173137 /nfs/dbraw/zinc/17/31/37/505173137.db2.gz RWJIDSAPMPUKGL-UXHICEINSA-N 2 1 369.509 3.301 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@@H]43)CC2)CC1 ZINC000557615657 505182729 /nfs/dbraw/zinc/18/27/29/505182729.db2.gz WJUSPGQNIVYEQN-LMNJBCLMSA-N 2 1 361.574 3.362 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000551239174 505183985 /nfs/dbraw/zinc/18/39/85/505183985.db2.gz NEIOBFXEIMLTNF-RDJZCZTQSA-N 2 1 373.463 3.370 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCOCC3)C3(C2)CCOCC3)cc1 ZINC000551265379 505188571 /nfs/dbraw/zinc/18/85/71/505188571.db2.gz UZLQTEWMQABNCL-SFTDATJTSA-N 2 1 358.526 3.074 20 0 FGADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270529 505190127 /nfs/dbraw/zinc/19/01/27/505190127.db2.gz OEXOOIRIDKMJIW-UEXGIBASSA-N 2 1 355.530 3.324 20 0 FGADMP C[N@H+](Cc1cccc(I)c1)CC1CC[NH+](C)CC1 ZINC000551559248 505253488 /nfs/dbraw/zinc/25/34/88/505253488.db2.gz LXNULQFPECAFOF-UHFFFAOYSA-N 2 1 358.267 3.065 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562196 505206503 /nfs/dbraw/zinc/20/65/03/505206503.db2.gz OEIIRMUZMHIJJE-ROUUACIJSA-N 2 1 373.541 3.133 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562196 505206506 /nfs/dbraw/zinc/20/65/06/505206506.db2.gz OEIIRMUZMHIJJE-ROUUACIJSA-N 2 1 373.541 3.133 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562194 505206802 /nfs/dbraw/zinc/20/68/02/505206802.db2.gz OEIIRMUZMHIJJE-MSOLQXFVSA-N 2 1 373.541 3.133 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000566562194 505206804 /nfs/dbraw/zinc/20/68/04/505206804.db2.gz OEIIRMUZMHIJJE-MSOLQXFVSA-N 2 1 373.541 3.133 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000557837354 505242978 /nfs/dbraw/zinc/24/29/78/505242978.db2.gz LCZSKTXHWBXERF-UWJYYQICSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000557837354 505242983 /nfs/dbraw/zinc/24/29/83/505242983.db2.gz LCZSKTXHWBXERF-UWJYYQICSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837354 505242986 /nfs/dbraw/zinc/24/29/86/505242986.db2.gz LCZSKTXHWBXERF-UWJYYQICSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837354 505242991 /nfs/dbraw/zinc/24/29/91/505242991.db2.gz LCZSKTXHWBXERF-UWJYYQICSA-N 2 1 373.516 3.123 20 0 FGADMP CC(C)[C@]1(CO)CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243010 /nfs/dbraw/zinc/24/30/10/505243010.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243016 /nfs/dbraw/zinc/24/30/16/505243016.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070189 505243022 /nfs/dbraw/zinc/24/30/22/505243022.db2.gz NEPSHCSPLDLBCQ-VSKRKVRLSA-N 2 1 368.606 3.226 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@@H]2CCC[C@H]21 ZINC000563827616 505250731 /nfs/dbraw/zinc/25/07/31/505250731.db2.gz DTSYLZLVYXKSQW-SPLQCWDRSA-N 2 1 354.897 3.093 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@H]2CCC[C@@H]21 ZINC000563827615 505250741 /nfs/dbraw/zinc/25/07/41/505250741.db2.gz DTSYLZLVYXKSQW-QZCPTFHJSA-N 2 1 354.897 3.093 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000566741219 505260445 /nfs/dbraw/zinc/26/04/45/505260445.db2.gz UJSCUMHFLLOKRX-SIKLNZKXSA-N 2 1 367.537 3.334 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000561156872 505267136 /nfs/dbraw/zinc/26/71/36/505267136.db2.gz WPAGUZMDFXNEAF-QYZOEREBSA-N 2 1 357.542 3.123 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920073 505276604 /nfs/dbraw/zinc/27/66/04/505276604.db2.gz UPWJMTNLDGXJEG-NHCUHLMSSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920073 505276607 /nfs/dbraw/zinc/27/66/07/505276607.db2.gz UPWJMTNLDGXJEG-NHCUHLMSSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920073 505276612 /nfs/dbraw/zinc/27/66/12/505276612.db2.gz UPWJMTNLDGXJEG-NHCUHLMSSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000563920073 505276617 /nfs/dbraw/zinc/27/66/17/505276617.db2.gz UPWJMTNLDGXJEG-NHCUHLMSSA-N 2 1 364.489 3.412 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021117 505287636 /nfs/dbraw/zinc/28/76/36/505287636.db2.gz CZZWEMWNVARLGG-XGHQBKJUSA-N 2 1 364.493 3.049 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043325 505294597 /nfs/dbraw/zinc/29/45/97/505294597.db2.gz XHIFKUORDGCKBS-FXAWDEMLSA-N 2 1 358.530 3.253 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)Cc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000558116811 505311714 /nfs/dbraw/zinc/31/17/14/505311714.db2.gz LFWAUPPLEWCTNK-XAUMDUMWSA-N 2 1 350.934 3.486 20 0 FGADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000558146759 505319736 /nfs/dbraw/zinc/31/97/36/505319736.db2.gz NMAHZZYLXGDHMY-GBAJDQEWSA-N 2 1 369.553 3.106 20 0 FGADMP C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567000418 505334356 /nfs/dbraw/zinc/33/43/56/505334356.db2.gz ZVYSCDSWTONLAS-WFXMLNOXSA-N 2 1 357.542 3.324 20 0 FGADMP Brc1cscc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000567083880 505358463 /nfs/dbraw/zinc/35/84/63/505358463.db2.gz AMTKDHFRCJNOLM-UHFFFAOYSA-N 2 1 359.333 3.055 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000564262110 505365880 /nfs/dbraw/zinc/36/58/80/505365880.db2.gz XZFBRULDFQUUPZ-DFQSSKMNSA-N 2 1 354.498 3.203 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1)N(C)Cc1ccccc1 ZINC000564262110 505365885 /nfs/dbraw/zinc/36/58/85/505365885.db2.gz XZFBRULDFQUUPZ-DFQSSKMNSA-N 2 1 354.498 3.203 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000555210155 505380513 /nfs/dbraw/zinc/38/05/13/505380513.db2.gz YUXKETZRRPPINN-VQTJNVASSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H]2CCC[C@@H]21 ZINC000552056614 505383439 /nfs/dbraw/zinc/38/34/39/505383439.db2.gz LIQSDOIZLAEEET-KNOXWWKRSA-N 2 1 360.517 3.362 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057269 505384431 /nfs/dbraw/zinc/38/44/31/505384431.db2.gz MJODSTSKHHJPOR-SJLPKXTDSA-N 2 1 365.477 3.190 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552064161 505388225 /nfs/dbraw/zinc/38/82/25/505388225.db2.gz ZNYVNORCVWLBLB-BHDDXSALSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552064161 505388228 /nfs/dbraw/zinc/38/82/28/505388228.db2.gz ZNYVNORCVWLBLB-BHDDXSALSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552064161 505388231 /nfs/dbraw/zinc/38/82/31/505388231.db2.gz ZNYVNORCVWLBLB-BHDDXSALSA-N 2 1 356.558 3.109 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000567242389 505405755 /nfs/dbraw/zinc/40/57/55/505405755.db2.gz SXXRFTVFTBMWLU-FHWLQOOXSA-N 2 1 358.530 3.217 20 0 FGADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000558491437 505407434 /nfs/dbraw/zinc/40/74/34/505407434.db2.gz AFOHLLHWQXSTMQ-AOCRQIFASA-N 2 1 371.525 3.304 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000558491437 505407441 /nfs/dbraw/zinc/40/74/41/505407441.db2.gz AFOHLLHWQXSTMQ-AOCRQIFASA-N 2 1 371.525 3.304 20 0 FGADMP Cc1ccccc1C1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000561714037 505415988 /nfs/dbraw/zinc/41/59/88/505415988.db2.gz AIRGOCGWPPTSCF-BBHUYCHWSA-N 2 1 350.506 3.468 20 0 FGADMP Cc1ccccc1C1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561714037 505415989 /nfs/dbraw/zinc/41/59/89/505415989.db2.gz AIRGOCGWPPTSCF-BBHUYCHWSA-N 2 1 350.506 3.468 20 0 FGADMP [NH3+]CC[C@@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000567337015 505434310 /nfs/dbraw/zinc/43/43/10/505434310.db2.gz LCENKUJTIZSSJO-SFTDATJTSA-N 2 1 372.557 3.059 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000552246475 505439790 /nfs/dbraw/zinc/43/97/90/505439790.db2.gz VUYZBPFPAFUTOU-HKBOAZHASA-N 2 1 355.526 3.001 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@@H]2CCC[C@@H]21 ZINC000552281957 505449379 /nfs/dbraw/zinc/44/93/79/505449379.db2.gz PXDQGJFURQETFQ-JYJNAYRXSA-N 2 1 357.420 3.028 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@H]2CCC[C@H]21 ZINC000552281958 505449627 /nfs/dbraw/zinc/44/96/27/505449627.db2.gz PXDQGJFURQETFQ-OWCLPIDISA-N 2 1 357.420 3.028 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539555 505451192 /nfs/dbraw/zinc/45/11/92/505451192.db2.gz MAAJJHSRJORTFA-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539555 505451195 /nfs/dbraw/zinc/45/11/95/505451195.db2.gz MAAJJHSRJORTFA-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555539555 505451197 /nfs/dbraw/zinc/45/11/97/505451197.db2.gz MAAJJHSRJORTFA-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@@H]2CCC[C@@H]21 ZINC000552285706 505451382 /nfs/dbraw/zinc/45/13/82/505451382.db2.gz ZKFTWURATKVPPT-ULQDDVLXSA-N 2 1 365.315 3.346 20 0 FGADMP CC1CC[NH+](Cc2ccc(-c3noc(CCc4c[nH+]cn4C)n3)cc2)CC1 ZINC000561873209 505456594 /nfs/dbraw/zinc/45/65/94/505456594.db2.gz ZNQRHYKPMDIZDZ-UHFFFAOYSA-N 2 1 365.481 3.487 20 0 FGADMP CC(C)[C@H](NC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000555598300 505469254 /nfs/dbraw/zinc/46/92/54/505469254.db2.gz QAUVZTDTZYYSIS-SFTDATJTSA-N 2 1 361.505 3.057 20 0 FGADMP Cc1ccncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612021 505474791 /nfs/dbraw/zinc/47/47/91/505474791.db2.gz GSPDCEUUPFODGT-QFIPXVFZSA-N 2 1 365.521 3.408 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561953251 505477100 /nfs/dbraw/zinc/47/71/00/505477100.db2.gz NHJNDDCAMNWKJA-YOUFYPILSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552433577 505491510 /nfs/dbraw/zinc/49/15/10/505491510.db2.gz QJESKYWTOZATKH-NRFANRHFSA-N 2 1 373.541 3.039 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCCO1 ZINC000552443884 505493658 /nfs/dbraw/zinc/49/36/58/505493658.db2.gz FIDAGTGFDDQQOE-QFIPXVFZSA-N 2 1 359.558 3.464 20 0 FGADMP Brc1ccccc1CN1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000564737946 505506890 /nfs/dbraw/zinc/50/68/90/505506890.db2.gz RGIXSKHATAPVHU-UHFFFAOYSA-N 2 1 366.347 3.099 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000564764609 505512967 /nfs/dbraw/zinc/51/29/67/505512967.db2.gz PXNUADLYIXFGPH-UYAOXDASSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2)C[C@H](C)O1 ZINC000567663642 505528342 /nfs/dbraw/zinc/52/83/42/505528342.db2.gz XYKONEUJJSAXEO-IYBDPMFKSA-N 2 1 370.497 3.464 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1 ZINC000564933835 505561615 /nfs/dbraw/zinc/56/16/15/505561615.db2.gz VPAWKCAPJKGUJN-INIZCTEOSA-N 2 1 372.538 3.443 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958818 505563211 /nfs/dbraw/zinc/56/32/11/505563211.db2.gz LBZZVWOGXCYMHW-NRFANRHFSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958818 505563213 /nfs/dbraw/zinc/56/32/13/505563213.db2.gz LBZZVWOGXCYMHW-NRFANRHFSA-N 2 1 369.553 3.420 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]21 ZINC000567871985 505569561 /nfs/dbraw/zinc/56/95/61/505569561.db2.gz NAQLAJPNIXKZNO-FVQBIDKESA-N 2 1 357.479 3.098 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]21 ZINC000567871985 505569562 /nfs/dbraw/zinc/56/95/62/505569562.db2.gz NAQLAJPNIXKZNO-FVQBIDKESA-N 2 1 357.479 3.098 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000589123051 506449177 /nfs/dbraw/zinc/44/91/77/506449177.db2.gz BQPBAJITISUOJH-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H](c1ccccc1Br)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000582868948 506463050 /nfs/dbraw/zinc/46/30/50/506463050.db2.gz OIIIYQKNDBIIOU-HNNXBMFYSA-N 2 1 356.352 3.325 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000593263581 506501181 /nfs/dbraw/zinc/50/11/81/506501181.db2.gz AXVHOUSJLIVGGS-HXUWFJFHSA-N 2 1 355.482 3.259 20 0 FGADMP O[C@@H](C[NH2+]Cc1cn(Cc2ccccc2)c2ccccc12)C[NH+]1CCCC1 ZINC000590611550 506881523 /nfs/dbraw/zinc/88/15/23/506881523.db2.gz OXWLHIMFWPWKRJ-NRFANRHFSA-N 2 1 363.505 3.236 20 0 FGADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000594077326 506927084 /nfs/dbraw/zinc/92/70/84/506927084.db2.gz RFJIKGDKKJOADN-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831744 506998933 /nfs/dbraw/zinc/99/89/33/506998933.db2.gz CFMRAVQMOUYEJY-KNQAVFIVSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831744 506998936 /nfs/dbraw/zinc/99/89/36/506998936.db2.gz CFMRAVQMOUYEJY-KNQAVFIVSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1ccc(OCC[N@H+](C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000613340914 507040800 /nfs/dbraw/zinc/04/08/00/507040800.db2.gz CGQWSATYCPNRTH-LJQANCHMSA-N 2 1 367.493 3.333 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000600831857 507141180 /nfs/dbraw/zinc/14/11/80/507141180.db2.gz HCPDBMFDGDUYHB-WOJBJXKFSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000600839454 507143599 /nfs/dbraw/zinc/14/35/99/507143599.db2.gz NRMKGGNUGVCIQW-IBGZPJMESA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000600843745 507145326 /nfs/dbraw/zinc/14/53/26/507145326.db2.gz CANOKINFZPXUER-XUVXKRRUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000600843745 507145334 /nfs/dbraw/zinc/14/53/34/507145334.db2.gz CANOKINFZPXUER-XUVXKRRUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000600843745 507145338 /nfs/dbraw/zinc/14/53/38/507145338.db2.gz CANOKINFZPXUER-XUVXKRRUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000600843745 507145341 /nfs/dbraw/zinc/14/53/41/507145341.db2.gz CANOKINFZPXUER-XUVXKRRUSA-N 2 1 372.557 3.165 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000584121705 507165334 /nfs/dbraw/zinc/16/53/34/507165334.db2.gz VMXXWAFSYAMHQA-UXHICEINSA-N 2 1 369.509 3.410 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000584121705 507165339 /nfs/dbraw/zinc/16/53/39/507165339.db2.gz VMXXWAFSYAMHQA-UXHICEINSA-N 2 1 369.509 3.410 20 0 FGADMP CN(CCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)c1cc[nH+]cc1 ZINC000584168920 507192465 /nfs/dbraw/zinc/19/24/65/507192465.db2.gz YLCPFLVEOPXFLD-UHFFFAOYSA-N 2 1 373.526 3.160 20 0 FGADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCCCC3)CC2)CCN1c1ccccc1 ZINC000597964182 507199757 /nfs/dbraw/zinc/19/97/57/507199757.db2.gz RFJRSVKNEFZPMG-OAQYLSRUSA-N 2 1 355.526 3.380 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C ZINC000591423168 507245392 /nfs/dbraw/zinc/24/53/92/507245392.db2.gz GHFKXJSOSZHQDC-RTBURBONSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C ZINC000591423168 507245399 /nfs/dbraw/zinc/24/53/99/507245399.db2.gz GHFKXJSOSZHQDC-RTBURBONSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591423168 507245408 /nfs/dbraw/zinc/24/54/08/507245408.db2.gz GHFKXJSOSZHQDC-RTBURBONSA-N 2 1 373.541 3.154 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000605839911 507287672 /nfs/dbraw/zinc/28/76/72/507287672.db2.gz AJNHYPRJCLZXFF-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000605839911 507287677 /nfs/dbraw/zinc/28/76/77/507287677.db2.gz AJNHYPRJCLZXFF-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000591656130 507323564 /nfs/dbraw/zinc/32/35/64/507323564.db2.gz KTELFVMBLCATCA-YCHQTSKFSA-N 2 1 356.510 3.218 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000614102500 507365573 /nfs/dbraw/zinc/36/55/73/507365573.db2.gz PCGOETVKIXXOCG-UXHICEINSA-N 2 1 361.505 3.177 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000614102500 507365579 /nfs/dbraw/zinc/36/55/79/507365579.db2.gz PCGOETVKIXXOCG-UXHICEINSA-N 2 1 361.505 3.177 20 0 FGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)CCCCN3CCOCC3)c2C1 ZINC000584798840 507511232 /nfs/dbraw/zinc/51/12/32/507511232.db2.gz XHPRMKPNUVOVSZ-UHFFFAOYSA-N 2 1 373.541 3.489 20 0 FGADMP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)CCCC[NH+]3CCOCC3)c2C1 ZINC000584798840 507511239 /nfs/dbraw/zinc/51/12/39/507511239.db2.gz XHPRMKPNUVOVSZ-UHFFFAOYSA-N 2 1 373.541 3.489 20 0 FGADMP Brc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901540 507550024 /nfs/dbraw/zinc/55/00/24/507550024.db2.gz VWULOXIAOWRLPV-OAHLLOKOSA-N 2 1 353.304 3.246 20 0 FGADMP Brc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901540 507550032 /nfs/dbraw/zinc/55/00/32/507550032.db2.gz VWULOXIAOWRLPV-OAHLLOKOSA-N 2 1 353.304 3.246 20 0 FGADMP CCC(CC)(C[NH2+]C[C@@H]1CNc2ccnn2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000606914719 507555530 /nfs/dbraw/zinc/55/55/30/507555530.db2.gz WBGFQJBSBKVMIB-ZWKOTPCHSA-N 2 1 355.530 3.424 20 0 FGADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606937378 507561983 /nfs/dbraw/zinc/56/19/83/507561983.db2.gz YCOVNYINMFVDAG-GJZGRUSLSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606937378 507561989 /nfs/dbraw/zinc/56/19/89/507561989.db2.gz YCOVNYINMFVDAG-GJZGRUSLSA-N 2 1 373.324 3.151 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000592391687 507634372 /nfs/dbraw/zinc/63/43/72/507634372.db2.gz ACEIHHRNJRNDQI-AWEZNQCLSA-N 2 1 361.313 3.149 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000592391687 507634381 /nfs/dbraw/zinc/63/43/81/507634381.db2.gz ACEIHHRNJRNDQI-AWEZNQCLSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000607231428 507661973 /nfs/dbraw/zinc/66/19/73/507661973.db2.gz RXGLVBMWJRBLCR-WOJBJXKFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384386 507715600 /nfs/dbraw/zinc/71/56/00/507715600.db2.gz CVIURDQDFLAEPA-UWJYYQICSA-N 2 1 351.494 3.314 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000607391349 507719404 /nfs/dbraw/zinc/71/94/04/507719404.db2.gz ZTQZUNJRFXKRRP-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000607391349 507719409 /nfs/dbraw/zinc/71/94/09/507719409.db2.gz ZTQZUNJRFXKRRP-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607391349 507719411 /nfs/dbraw/zinc/71/94/11/507719411.db2.gz ZTQZUNJRFXKRRP-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000615064063 507738631 /nfs/dbraw/zinc/73/86/31/507738631.db2.gz RMOZYFMWZYKFAJ-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000615064063 507738642 /nfs/dbraw/zinc/73/86/42/507738642.db2.gz RMOZYFMWZYKFAJ-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000615064063 507738649 /nfs/dbraw/zinc/73/86/49/507738649.db2.gz RMOZYFMWZYKFAJ-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000615064063 507738654 /nfs/dbraw/zinc/73/86/54/507738654.db2.gz RMOZYFMWZYKFAJ-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101518 507762884 /nfs/dbraw/zinc/76/28/84/507762884.db2.gz CEOQEZPIINDEGO-FPOVZHCZSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000588101519 507763025 /nfs/dbraw/zinc/76/30/25/507763025.db2.gz CEOQEZPIINDEGO-PZJWPPBQSA-N 2 1 373.516 3.125 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[C@H]1[NH3+] ZINC000669117727 568032066 /nfs/dbraw/zinc/03/20/66/568032066.db2.gz AEYIMSTZVIGQTE-IOMROCGXSA-N 2 1 372.557 3.330 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[C@H]1[NH3+] ZINC000669117814 568035350 /nfs/dbraw/zinc/03/53/50/568035350.db2.gz SSFUNVVIOOXMPZ-DBXWQHBBSA-N 2 1 372.557 3.330 20 0 FGADMP c1cncc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000643251543 568333856 /nfs/dbraw/zinc/33/38/56/568333856.db2.gz OMBWVEUFXNRONE-UHFFFAOYSA-N 2 1 351.494 3.293 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1CN1CCOCC1 ZINC000643251551 568333947 /nfs/dbraw/zinc/33/39/47/568333947.db2.gz OTVHXLJPXZPNIU-YADHBBJMSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251551 568333948 /nfs/dbraw/zinc/33/39/48/568333948.db2.gz OTVHXLJPXZPNIU-YADHBBJMSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251551 568333949 /nfs/dbraw/zinc/33/39/49/568333949.db2.gz OTVHXLJPXZPNIU-YADHBBJMSA-N 2 1 358.526 3.157 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096244 700329156 /nfs/dbraw/zinc/32/91/56/700329156.db2.gz GXMYITSHQBCNFQ-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096244 700329158 /nfs/dbraw/zinc/32/91/58/700329158.db2.gz GXMYITSHQBCNFQ-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096244 700329165 /nfs/dbraw/zinc/32/91/65/700329165.db2.gz GXMYITSHQBCNFQ-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1C[C@H](C)N(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000123988180 700713305 /nfs/dbraw/zinc/71/33/05/700713305.db2.gz MPFUGVRVSFHQKB-HOTGVXAUSA-N 2 1 350.507 3.301 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401628 704961599 /nfs/dbraw/zinc/96/15/99/704961599.db2.gz PHDURXYTUYYTMG-CVEARBPZSA-N 2 1 363.933 3.312 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401628 704961605 /nfs/dbraw/zinc/96/16/05/704961605.db2.gz PHDURXYTUYYTMG-CVEARBPZSA-N 2 1 363.933 3.312 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161924646 705286153 /nfs/dbraw/zinc/28/61/53/705286153.db2.gz ASUILRBKHAHTAH-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000166463643 705344286 /nfs/dbraw/zinc/34/42/86/705344286.db2.gz ILCHYNMUTNTGCT-KSZLIROESA-N 2 1 361.555 3.018 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000166463643 705344291 /nfs/dbraw/zinc/34/42/91/705344291.db2.gz ILCHYNMUTNTGCT-KSZLIROESA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220561 705613719 /nfs/dbraw/zinc/61/37/19/705613719.db2.gz GPVAQKNOJLUDPF-KRWDZBQOSA-N 2 1 353.551 3.488 20 0 FGADMP COc1cc(Br)ccc1CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000181547479 705798641 /nfs/dbraw/zinc/79/86/41/705798641.db2.gz CUQMNCRFQUUSNL-UHFFFAOYSA-N 2 1 355.320 3.416 20 0 FGADMP C[NH+]1CCC(C[NH2+]Cc2c(O)ccc(Cl)c2F)(N2CCCCC2)CC1 ZINC000191216333 712832262 /nfs/dbraw/zinc/83/22/62/712832262.db2.gz AZIYCNSUMNCLDJ-UHFFFAOYSA-N 2 1 369.912 3.225 20 0 FGADMP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@@H](C)C1 ZINC000248666427 713655809 /nfs/dbraw/zinc/65/58/09/713655809.db2.gz NRSGOUXWCSXVNN-STQMWFEESA-N 2 1 353.388 3.145 20 0 FGADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@@H](C)C1 ZINC000248666427 713655811 /nfs/dbraw/zinc/65/58/11/713655811.db2.gz NRSGOUXWCSXVNN-STQMWFEESA-N 2 1 353.388 3.145 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665516 713655955 /nfs/dbraw/zinc/65/59/55/713655955.db2.gz MFQBKHOAIGVYSE-FXAWDEMLSA-N 2 1 353.551 3.344 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000248893760 713661056 /nfs/dbraw/zinc/66/10/56/713661056.db2.gz TZTRQEDUBGROHT-WMLDXEAASA-N 2 1 369.893 3.475 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000248893760 713661060 /nfs/dbraw/zinc/66/10/60/713661060.db2.gz TZTRQEDUBGROHT-WMLDXEAASA-N 2 1 369.893 3.475 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC1 ZINC000302084527 713782638 /nfs/dbraw/zinc/78/26/38/713782638.db2.gz GQEVQHSYGHCIIK-QGZVFWFLSA-N 2 1 351.535 3.383 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000317840127 713808477 /nfs/dbraw/zinc/80/84/77/713808477.db2.gz XKUCNGNQDCSYBR-KXIUCKCTSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000317840127 713808481 /nfs/dbraw/zinc/80/84/81/713808481.db2.gz XKUCNGNQDCSYBR-KXIUCKCTSA-N 2 1 365.315 3.148 20 0 FGADMP Cn1cc(-c2ccc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)s2)cn1 ZINC000374889970 713951339 /nfs/dbraw/zinc/95/13/39/713951339.db2.gz ANHZXKQGQOTRHN-UHFFFAOYSA-N 2 1 355.511 3.337 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1 ZINC000482545518 714094882 /nfs/dbraw/zinc/09/48/82/714094882.db2.gz YXNCCCCKQSJUBK-KRWDZBQOSA-N 2 1 353.963 3.494 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603218 714195094 /nfs/dbraw/zinc/19/50/94/714195094.db2.gz PCAXNGVGJIGIRS-SJORKVTESA-N 2 1 354.583 3.163 20 0 FGADMP Brc1ccc2c(NCC[NH+]3CCSCC3)cc[nH+]c2c1 ZINC000523874224 714256983 /nfs/dbraw/zinc/25/69/83/714256983.db2.gz BDUNIHPYHATIHX-UHFFFAOYSA-N 2 1 352.301 3.458 20 0 FGADMP C[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)[NH+]1CC(C)C1 ZINC000577506019 714465765 /nfs/dbraw/zinc/46/57/65/714465765.db2.gz MNALXQXCKIHHSX-INIZCTEOSA-N 2 1 363.933 3.008 20 0 FGADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085865 715162514 /nfs/dbraw/zinc/16/25/14/715162514.db2.gz JYWLURHLXLHSES-UHFFFAOYSA-N 2 1 374.286 3.009 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347616 715315776 /nfs/dbraw/zinc/31/57/76/715315776.db2.gz GAWPEOLFFCIQBC-LPHOPBHVSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414996 715331291 /nfs/dbraw/zinc/33/12/91/715331291.db2.gz WVPZCSFFYPKYOB-GJZGRUSLSA-N 2 1 366.347 3.490 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422995 715332994 /nfs/dbraw/zinc/33/29/94/715332994.db2.gz PFTBWVQDOKVHBP-HUUCEWRRSA-N 2 1 353.457 3.329 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000623655916 715380183 /nfs/dbraw/zinc/38/01/83/715380183.db2.gz IORZRGYAOMFZQT-OAHLLOKOSA-N 2 1 360.420 3.458 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121251 715477778 /nfs/dbraw/zinc/47/77/78/715477778.db2.gz RFQQIFRFBBKHSC-DLBZAZTESA-N 2 1 350.503 3.103 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625318671 715704563 /nfs/dbraw/zinc/70/45/63/715704563.db2.gz JHWLBLSHEFTYOF-CABCVRRESA-N 2 1 363.468 3.030 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000625318671 715704564 /nfs/dbraw/zinc/70/45/64/715704564.db2.gz JHWLBLSHEFTYOF-CABCVRRESA-N 2 1 363.468 3.030 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000625744102 715783140 /nfs/dbraw/zinc/78/31/40/715783140.db2.gz IZCFGABSIQYRSH-NVXWUHKLSA-N 2 1 353.388 3.496 20 0 FGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000629521017 716302513 /nfs/dbraw/zinc/30/25/13/716302513.db2.gz KRNCIHXJRDVXQW-HNNXBMFYSA-N 2 1 361.486 3.424 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629560091 716307293 /nfs/dbraw/zinc/30/72/93/716307293.db2.gz CSNOAPSMJVKVLP-JQWIXIFHSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1C(F)(F)F ZINC000629560091 716307299 /nfs/dbraw/zinc/30/72/99/716307299.db2.gz CSNOAPSMJVKVLP-JQWIXIFHSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629565063 716309559 /nfs/dbraw/zinc/30/95/59/716309559.db2.gz USKHWLWCXLNGCL-SMDDNHRTSA-N 2 1 363.811 3.128 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567215 716310184 /nfs/dbraw/zinc/31/01/84/716310184.db2.gz PGBPLOZGUPUQDY-RYUDHWBXSA-N 2 1 363.811 3.128 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567215 716310191 /nfs/dbraw/zinc/31/01/91/716310191.db2.gz PGBPLOZGUPUQDY-RYUDHWBXSA-N 2 1 363.811 3.128 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cccn(C(F)F)c3=O)C2)CC1 ZINC000637978330 717396950 /nfs/dbraw/zinc/39/69/50/717396950.db2.gz NTEHKVHOQQCKGT-MRXNPFEDSA-N 2 1 353.457 3.187 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cccn(C(F)F)c3=O)C2)CC1 ZINC000637978330 717396953 /nfs/dbraw/zinc/39/69/53/717396953.db2.gz NTEHKVHOQQCKGT-MRXNPFEDSA-N 2 1 353.457 3.187 20 0 FGADMP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000638111160 717408855 /nfs/dbraw/zinc/40/88/55/717408855.db2.gz SAJZDNJAISKEKB-AWEZNQCLSA-N 2 1 368.308 3.122 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000638837504 717492060 /nfs/dbraw/zinc/49/20/60/717492060.db2.gz UKCQFUHBNVUGKC-QGZVFWFLSA-N 2 1 352.906 3.379 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000639041515 717507474 /nfs/dbraw/zinc/50/74/74/717507474.db2.gz LXZOPYGAOLXJQE-DZGCQCFKSA-N 2 1 368.319 3.158 20 0 FGADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000639757334 717598690 /nfs/dbraw/zinc/59/86/90/717598690.db2.gz GJXRJXZIVQTBSK-UHFFFAOYSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3cccc(Cl)c3Cl)C2)CC1 ZINC000639757334 717598692 /nfs/dbraw/zinc/59/86/92/717598692.db2.gz GJXRJXZIVQTBSK-UHFFFAOYSA-N 2 1 356.297 3.350 20 0 FGADMP CC1([NH+]2CCCC2)CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000639984210 717640384 /nfs/dbraw/zinc/64/03/84/717640384.db2.gz SUPVWKXYBWKTNX-SFHVURJKSA-N 2 1 359.539 3.440 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669070 718140140 /nfs/dbraw/zinc/14/01/40/718140140.db2.gz AKZVQTJFYPGQKL-KBPBESRZSA-N 2 1 361.313 3.055 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644669076 718140301 /nfs/dbraw/zinc/14/03/01/718140301.db2.gz AKZVQTJFYPGQKL-ZIAGYGMSSA-N 2 1 361.313 3.055 20 0 FGADMP O=C(C[C@H]1CC[NH2+]C1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646496858 718289340 /nfs/dbraw/zinc/28/93/40/718289340.db2.gz IIRDTUABAHOVMX-CYBMUJFWSA-N 2 1 370.324 3.074 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531385 718365842 /nfs/dbraw/zinc/36/58/42/718365842.db2.gz SFOULOVVGYKSLS-UHFFFAOYSA-N 2 1 363.303 3.256 20 0 FGADMP Clc1ccccc1Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000647546148 718366929 /nfs/dbraw/zinc/36/69/29/718366929.db2.gz BDNIGOVAVBWWCL-MSOLQXFVSA-N 2 1 358.917 3.406 20 0 FGADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1Br ZINC000647872258 718382371 /nfs/dbraw/zinc/38/23/71/718382371.db2.gz OUSNSTIENSUNJD-UHFFFAOYSA-N 2 1 368.319 3.099 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976585 718391351 /nfs/dbraw/zinc/39/13/51/718391351.db2.gz QKBZMBZDXCCNJF-YESZJQIVSA-N 2 1 361.555 3.447 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976223 718391481 /nfs/dbraw/zinc/39/14/81/718391481.db2.gz LRESLCGWAJOMDU-UONOGXRCSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccc(Cl)cc21 ZINC000647976223 718391482 /nfs/dbraw/zinc/39/14/82/718391482.db2.gz LRESLCGWAJOMDU-UONOGXRCSA-N 2 1 360.889 3.200 20 0 FGADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H](CO)c2ccc(Cl)cc2)cc1 ZINC000648714239 718445903 /nfs/dbraw/zinc/44/59/03/718445903.db2.gz QIJXQUHEXJFVNJ-HXUWFJFHSA-N 2 1 362.901 3.446 20 0 FGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000648719831 718446561 /nfs/dbraw/zinc/44/65/61/718446561.db2.gz NULIDXXQHMGMLJ-HOTGVXAUSA-N 2 1 360.527 3.411 20 0 FGADMP [NH3+][C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000649268424 718499832 /nfs/dbraw/zinc/49/98/32/718499832.db2.gz FACQCHPCNWDVIJ-LJQANCHMSA-N 2 1 357.885 3.074 20 0 FGADMP [NH3+][C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1cccc(Cl)c1 ZINC000649268424 718499835 /nfs/dbraw/zinc/49/98/35/718499835.db2.gz FACQCHPCNWDVIJ-LJQANCHMSA-N 2 1 357.885 3.074 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278909 718500601 /nfs/dbraw/zinc/50/06/01/718500601.db2.gz MVCMHFQBNAGXBL-DOTOQJQBSA-N 2 1 363.914 3.355 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650707718 718717749 /nfs/dbraw/zinc/71/77/49/718717749.db2.gz LTKMHAQGUFNNOF-JZXOWHBKSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(F)cccc3Br)C2)C1 ZINC000650708447 718718255 /nfs/dbraw/zinc/71/82/55/718718255.db2.gz ZPVVGPRVOSLIFC-XNJGSVPQSA-N 2 1 371.294 3.307 20 0 FGADMP CC[N@@H+](CCCNC(=O)NCC1CC[NH+](CC)CC1)C1CCCCC1 ZINC000650815162 718731100 /nfs/dbraw/zinc/73/11/00/718731100.db2.gz KHHJRTGBICAIAO-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347787 718934813 /nfs/dbraw/zinc/93/48/13/718934813.db2.gz LTCZYQFQHYVKST-BARDWOONSA-N 2 1 362.499 3.077 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349451 718935335 /nfs/dbraw/zinc/93/53/35/718935335.db2.gz OYGLSVIDZIOCFS-SIIHOXLZSA-N 2 1 356.869 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361768 718936892 /nfs/dbraw/zinc/93/68/92/718936892.db2.gz OVAOELYFLUCJNF-ZTFGCOKTSA-N 2 1 365.905 3.029 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653106216 719013018 /nfs/dbraw/zinc/01/30/18/719013018.db2.gz XLRAWLCFIPXHDR-IPMKNSEASA-N 2 1 361.917 3.124 20 0 FGADMP CO[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000781421347 724562921 /nfs/dbraw/zinc/56/29/21/724562921.db2.gz JBOUXCPAWHIXQX-BRSBDYLESA-N 2 1 356.432 3.454 20 0 FGADMP FC(F)(F)c1ccccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655697155 719326868 /nfs/dbraw/zinc/32/68/68/719326868.db2.gz IOCSGEQMUDBGPW-KRWDZBQOSA-N 2 1 356.432 3.481 20 0 FGADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Cc1nc2c(s1)CCCC2 ZINC000655708642 719328077 /nfs/dbraw/zinc/32/80/77/719328077.db2.gz RNCXYOKZEGLXNR-KRWDZBQOSA-N 2 1 363.571 3.188 20 0 FGADMP Brc1cccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655726840 719330650 /nfs/dbraw/zinc/33/06/50/719330650.db2.gz GOHCAMCJWVMVMK-SFHVURJKSA-N 2 1 367.331 3.225 20 0 FGADMP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655735493 719331677 /nfs/dbraw/zinc/33/16/77/719331677.db2.gz IKDHZFWDYWBMCA-BEVDRBHNSA-N 2 1 350.478 3.135 20 0 FGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)c(F)c1 ZINC000655738519 719332334 /nfs/dbraw/zinc/33/23/34/719332334.db2.gz WHMZXBHEMQRHCX-QGZVFWFLSA-N 2 1 350.453 3.229 20 0 FGADMP COC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655773134 719337979 /nfs/dbraw/zinc/33/79/79/719337979.db2.gz RRNOJMLLKQFBPR-PXNSSMCTSA-N 2 1 366.933 3.303 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2cc3ccc(F)cc3cn2)c2c1CC[NH2+]C2 ZINC001164680579 719642678 /nfs/dbraw/zinc/64/26/78/719642678.db2.gz WSCZWHAIOWHGPG-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc3ccc(F)cc3cn2)c2c1CC[NH2+]C2 ZINC001164680579 719642682 /nfs/dbraw/zinc/64/26/82/719642682.db2.gz WSCZWHAIOWHGPG-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c(Cl)c1 ZINC000657596193 719681035 /nfs/dbraw/zinc/68/10/35/719681035.db2.gz VQOGFTOOOQAKIL-SFHVURJKSA-N 2 1 360.885 3.205 20 0 FGADMP CC(C)Cc1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657597604 719681637 /nfs/dbraw/zinc/68/16/37/719681637.db2.gz VLBQHJBCSOOLNW-SFHVURJKSA-N 2 1 359.539 3.198 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264565 719885747 /nfs/dbraw/zinc/88/57/47/719885747.db2.gz QBADNDCOYGFIEB-HSMVNMDESA-N 2 1 358.313 3.195 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264565 719885750 /nfs/dbraw/zinc/88/57/50/719885750.db2.gz QBADNDCOYGFIEB-HSMVNMDESA-N 2 1 358.313 3.195 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000659302106 719893524 /nfs/dbraw/zinc/89/35/24/719893524.db2.gz CAZYREGIMFFPEJ-UHFFFAOYSA-N 2 1 366.284 3.086 20 0 FGADMP C[NH2+][C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000659318373 719896796 /nfs/dbraw/zinc/89/67/96/719896796.db2.gz FXNZOXYSNIHHGN-FVKWTLKZSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccsc1 ZINC000660312049 720027479 /nfs/dbraw/zinc/02/74/79/720027479.db2.gz NQKXRSCKJDCTSN-FUHWJXTLSA-N 2 1 364.559 3.057 20 0 FGADMP Clc1ccc(O[C@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257480 720405203 /nfs/dbraw/zinc/40/52/03/720405203.db2.gz CZWRCBZHBYTPDY-GJZGRUSLSA-N 2 1 371.308 3.358 20 0 FGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258315 720405902 /nfs/dbraw/zinc/40/59/02/720405902.db2.gz ZKCKSCSGPDMKMN-CRAIPNDOSA-N 2 1 364.917 3.124 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284222 720409841 /nfs/dbraw/zinc/40/98/41/720409841.db2.gz MDIMAQNVPYWDJV-HYVNUMGLSA-N 2 1 356.482 3.418 20 0 FGADMP O=C1[C@@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1c1ccccc1Cl ZINC000662295207 720411566 /nfs/dbraw/zinc/41/15/66/720411566.db2.gz FYTHBKYEAUEELA-APWZRJJASA-N 2 1 361.917 3.157 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294681 720411582 /nfs/dbraw/zinc/41/15/82/720411582.db2.gz DRPKMKUVKDMYJL-WBVHZDCISA-N 2 1 361.555 3.447 20 0 FGADMP Clc1ccc([C@H]2c3ccsc3CC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000662311515 720413591 /nfs/dbraw/zinc/41/35/91/720413591.db2.gz UFFHSXOHRJZVAK-IBGZPJMESA-N 2 1 361.942 3.254 20 0 FGADMP Clc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000662311515 720413594 /nfs/dbraw/zinc/41/35/94/720413594.db2.gz UFFHSXOHRJZVAK-IBGZPJMESA-N 2 1 361.942 3.254 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1Cl ZINC000662315794 720414718 /nfs/dbraw/zinc/41/47/18/720414718.db2.gz STQZENMDXHEUAU-RVKKMQEKSA-N 2 1 351.922 3.357 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc(Cl)c1Cl ZINC000662338221 720416667 /nfs/dbraw/zinc/41/66/67/720416667.db2.gz IHSLZISPDZDSDZ-DOTOQJQBSA-N 2 1 370.324 3.245 20 0 FGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@@H]21 ZINC001164837874 720511985 /nfs/dbraw/zinc/51/19/85/720511985.db2.gz QGSDXOXBJZQIFI-ZWOKBUDYSA-N 2 1 364.497 3.137 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455805 720517019 /nfs/dbraw/zinc/51/70/19/720517019.db2.gz URALFDJEQXPGFM-YOEHRIQHSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455805 720517020 /nfs/dbraw/zinc/51/70/20/720517020.db2.gz URALFDJEQXPGFM-YOEHRIQHSA-N 2 1 366.937 3.115 20 0 FGADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000663467102 720517761 /nfs/dbraw/zinc/51/77/61/720517761.db2.gz CTQCHEIHSWIAHQ-YOEHRIQHSA-N 2 1 351.560 3.413 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@@H+](CC)C1 ZINC000663620732 720530785 /nfs/dbraw/zinc/53/07/85/720530785.db2.gz RLNKEVLYQLYHQL-ZWKOTPCHSA-N 2 1 366.575 3.257 20 0 FGADMP CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664825581 720695644 /nfs/dbraw/zinc/69/56/44/720695644.db2.gz RTDDSDPSRMQZAT-JKSUJKDBSA-N 2 1 366.575 3.041 20 0 FGADMP CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664825581 720695650 /nfs/dbraw/zinc/69/56/50/720695650.db2.gz RTDDSDPSRMQZAT-JKSUJKDBSA-N 2 1 366.575 3.041 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H](C)C(C)(C)CC)CC2)CC1 ZINC000665782770 720818298 /nfs/dbraw/zinc/81/82/98/720818298.db2.gz JGIGURQXDVNDBP-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)N[C@H](C)C(C)(C)CC)CC2)CC1 ZINC000665782770 720818302 /nfs/dbraw/zinc/81/83/02/720818302.db2.gz JGIGURQXDVNDBP-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000673780112 721672318 /nfs/dbraw/zinc/67/23/18/721672318.db2.gz URWUHSBQGVHBAX-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP C[NH+](C)CC1CCN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC001165042927 721944372 /nfs/dbraw/zinc/94/43/72/721944372.db2.gz ZHTMINKMDYGDKY-UHFFFAOYSA-N 2 1 364.537 3.418 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3cccnc32)c2cccs2)CC1 ZINC000684953395 722369429 /nfs/dbraw/zinc/36/94/29/722369429.db2.gz GVDCDRVBAUVKDW-MSOLQXFVSA-N 2 1 356.539 3.099 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)C1 ZINC000709293977 722412951 /nfs/dbraw/zinc/41/29/51/722412951.db2.gz XDKQWEBRQQFONT-PNKHAZJDSA-N 2 1 351.535 3.094 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734487858 722507810 /nfs/dbraw/zinc/50/78/10/722507810.db2.gz XNVXOXMVWGVRBE-MAUKXSAKSA-N 2 1 355.448 3.478 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487858 722507811 /nfs/dbraw/zinc/50/78/11/722507811.db2.gz XNVXOXMVWGVRBE-MAUKXSAKSA-N 2 1 355.448 3.478 20 0 FGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000741389883 722545365 /nfs/dbraw/zinc/54/53/65/722545365.db2.gz XDJMJMJWDBWLQC-APWZRJJASA-N 2 1 366.933 3.060 20 0 FGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000741389883 722545366 /nfs/dbraw/zinc/54/53/66/722545366.db2.gz XDJMJMJWDBWLQC-APWZRJJASA-N 2 1 366.933 3.060 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/Sc1ccccc1 ZINC000750735136 722779423 /nfs/dbraw/zinc/77/94/23/722779423.db2.gz TXRYYUPQIHLPDC-FXFXYLOPSA-N 2 1 361.555 3.167 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577761 722814687 /nfs/dbraw/zinc/81/46/87/722814687.db2.gz VLNPTYBUHFZNII-GRDNDAEWSA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577761 722814691 /nfs/dbraw/zinc/81/46/91/722814691.db2.gz VLNPTYBUHFZNII-GRDNDAEWSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577761 722814692 /nfs/dbraw/zinc/81/46/92/722814692.db2.gz VLNPTYBUHFZNII-GRDNDAEWSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577761 722814696 /nfs/dbraw/zinc/81/46/96/722814696.db2.gz VLNPTYBUHFZNII-GRDNDAEWSA-N 2 1 355.320 3.287 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@H+](Cn3ncc(Br)c3C3CC3)C2)CC1 ZINC000755778985 722956816 /nfs/dbraw/zinc/95/68/16/722956816.db2.gz HGPYLOLEONUJMM-HNNXBMFYSA-N 2 1 367.335 3.144 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3ncc(Br)c3C3CC3)C2)CC1 ZINC000755778985 722956817 /nfs/dbraw/zinc/95/68/17/722956817.db2.gz HGPYLOLEONUJMM-HNNXBMFYSA-N 2 1 367.335 3.144 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000760161749 723040576 /nfs/dbraw/zinc/04/05/76/723040576.db2.gz ZXKSYLDIXKUYBA-CYBMUJFWSA-N 2 1 373.372 3.500 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000767428817 723619039 /nfs/dbraw/zinc/61/90/39/723619039.db2.gz IWXDEJYJGOREHZ-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000767428817 723619041 /nfs/dbraw/zinc/61/90/41/723619041.db2.gz IWXDEJYJGOREHZ-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP COC(=O)c1cccc(Cl)c1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000796056265 723619139 /nfs/dbraw/zinc/61/91/39/723619139.db2.gz IQGXIWPZJQTZQU-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP COC(=O)c1cccc(Cl)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000796056265 723619140 /nfs/dbraw/zinc/61/91/40/723619140.db2.gz IQGXIWPZJQTZQU-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000767436206 723619296 /nfs/dbraw/zinc/61/92/96/723619296.db2.gz CITFRNIWVJJGKU-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000767436206 723619298 /nfs/dbraw/zinc/61/92/98/723619298.db2.gz CITFRNIWVJJGKU-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000767458679 723620051 /nfs/dbraw/zinc/62/00/51/723620051.db2.gz BKMDPAZPNSSGLW-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@@H]1C ZINC000767458679 723620052 /nfs/dbraw/zinc/62/00/52/723620052.db2.gz BKMDPAZPNSSGLW-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796274776 723629570 /nfs/dbraw/zinc/62/95/70/723629570.db2.gz AECARAWQMGHBPP-ADKAHSJRSA-N 2 1 353.551 3.391 20 0 FGADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000796284194 723630189 /nfs/dbraw/zinc/63/01/89/723630189.db2.gz VQJRMSIRRCMXEB-UHFFFAOYSA-N 2 1 350.576 3.339 20 0 FGADMP COCOc1ccc(OC)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000768926223 723672338 /nfs/dbraw/zinc/67/23/38/723672338.db2.gz KAQNGEHHQLUFSF-UHFFFAOYSA-N 2 1 350.503 3.230 20 0 FGADMP C[N@@H+](CCC1CCN(C(=O)OC(C)(C)C)CC1)CC1CC[NH+](C)CC1 ZINC000769330953 723682613 /nfs/dbraw/zinc/68/26/13/723682613.db2.gz SUMXPUBWBHPNCH-UHFFFAOYSA-N 2 1 353.551 3.297 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000772875169 723770331 /nfs/dbraw/zinc/77/03/31/723770331.db2.gz LGFRWSHOGQWTHW-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000775621016 724011750 /nfs/dbraw/zinc/01/17/50/724011750.db2.gz GXHMXTGEHRMGDC-XWTMOSNGSA-N 2 1 353.551 3.390 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000776257321 724124685 /nfs/dbraw/zinc/12/46/85/724124685.db2.gz KHVRAGTXHFERAZ-UHFFFAOYSA-N 2 1 362.880 3.384 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000776257321 724124688 /nfs/dbraw/zinc/12/46/88/724124688.db2.gz KHVRAGTXHFERAZ-UHFFFAOYSA-N 2 1 362.880 3.384 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443372 724912898 /nfs/dbraw/zinc/91/28/98/724912898.db2.gz IMHQCTYBOIFLQE-MSOLQXFVSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)NC(=O)OC(C)(C)C ZINC000785443372 724912899 /nfs/dbraw/zinc/91/28/99/724912899.db2.gz IMHQCTYBOIFLQE-MSOLQXFVSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340121 725025561 /nfs/dbraw/zinc/02/55/61/725025561.db2.gz BMIYLIKUZVOBFF-ZIAGYGMSSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340121 725025562 /nfs/dbraw/zinc/02/55/62/725025562.db2.gz BMIYLIKUZVOBFF-ZIAGYGMSSA-N 2 1 361.313 3.149 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809750024 725264811 /nfs/dbraw/zinc/26/48/11/725264811.db2.gz PBCGXNLGCGZHDC-UHFFFAOYSA-N 2 1 353.551 3.441 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809749751 725264903 /nfs/dbraw/zinc/26/49/03/725264903.db2.gz JWZVPWOGPDXTTL-FQEVSTJZSA-N 2 1 353.551 3.441 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000811494584 725369481 /nfs/dbraw/zinc/36/94/81/725369481.db2.gz YAODGOJIPFXZLB-QGZVFWFLSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645083 726989500 /nfs/dbraw/zinc/98/95/00/726989500.db2.gz OIGNEVMUBUVXSR-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143701 727044588 /nfs/dbraw/zinc/04/45/88/727044588.db2.gz CPDWGNHKUNKTQZ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143701 727044592 /nfs/dbraw/zinc/04/45/92/727044592.db2.gz CPDWGNHKUNKTQZ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143701 727044594 /nfs/dbraw/zinc/04/45/94/727044594.db2.gz CPDWGNHKUNKTQZ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143701 727044597 /nfs/dbraw/zinc/04/45/97/727044597.db2.gz CPDWGNHKUNKTQZ-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)c3ccccc3)CC2)cs1 ZINC000819049416 727342214 /nfs/dbraw/zinc/34/22/14/727342214.db2.gz JJHMWKOGAMAGTD-IBGZPJMESA-N 2 1 359.539 3.241 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819183168 727355551 /nfs/dbraw/zinc/35/55/51/727355551.db2.gz UMLISUFMPWNKEB-CRAIPNDOSA-N 2 1 369.347 3.440 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409282 729277457 /nfs/dbraw/zinc/27/74/57/729277457.db2.gz WVDKYUJXTDSDKH-FGTMMUONSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409282 729277458 /nfs/dbraw/zinc/27/74/58/729277458.db2.gz WVDKYUJXTDSDKH-FGTMMUONSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409282 729277459 /nfs/dbraw/zinc/27/74/59/729277459.db2.gz WVDKYUJXTDSDKH-FGTMMUONSA-N 2 1 353.551 3.296 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823471056 729283550 /nfs/dbraw/zinc/28/35/50/729283550.db2.gz PVAAZHLWCKRJRU-UHFFFAOYSA-N 2 1 357.901 3.445 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnc(Cl)c2F)CC1 ZINC000823471056 729283552 /nfs/dbraw/zinc/28/35/52/729283552.db2.gz PVAAZHLWCKRJRU-UHFFFAOYSA-N 2 1 357.901 3.445 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428551 729337651 /nfs/dbraw/zinc/33/76/51/729337651.db2.gz TXBRQKUDCBQSPK-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428551 729337652 /nfs/dbraw/zinc/33/76/52/729337652.db2.gz TXBRQKUDCBQSPK-MBOZVWFJSA-N 2 1 351.535 3.050 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831510173 729647897 /nfs/dbraw/zinc/64/78/97/729647897.db2.gz IWUHJPWEOIMJOO-POZUXBRTSA-N 2 1 367.896 3.263 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831510173 729647900 /nfs/dbraw/zinc/64/79/00/729647900.db2.gz IWUHJPWEOIMJOO-POZUXBRTSA-N 2 1 367.896 3.263 20 0 FGADMP CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000832538292 729719842 /nfs/dbraw/zinc/71/98/42/729719842.db2.gz FCMWHHFBCYGBQA-ZWKOTPCHSA-N 2 1 351.535 3.194 20 0 FGADMP CC(C)(C)OC(=O)N1C[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC000832538292 729719846 /nfs/dbraw/zinc/71/98/46/729719846.db2.gz FCMWHHFBCYGBQA-ZWKOTPCHSA-N 2 1 351.535 3.194 20 0 FGADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810343 730177596 /nfs/dbraw/zinc/17/75/96/730177596.db2.gz RWAWHJQBEIXLAU-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000841057713 730206717 /nfs/dbraw/zinc/20/67/17/730206717.db2.gz MIBRMRHLKRZBPF-HOTGVXAUSA-N 2 1 350.869 3.392 20 0 FGADMP [NH3+]CCCCCCC[N@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000842472130 730506787 /nfs/dbraw/zinc/50/67/87/730506787.db2.gz RUSUKAZIGJTFBE-UHFFFAOYSA-N 2 1 351.922 3.397 20 0 FGADMP O=[S@](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495542 731364019 /nfs/dbraw/zinc/36/40/19/731364019.db2.gz FRKOYNYKLPLNIP-PDVBNWKYSA-N 2 1 374.472 3.083 20 0 FGADMP O=[S@](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000850495542 731364023 /nfs/dbraw/zinc/36/40/23/731364023.db2.gz FRKOYNYKLPLNIP-PDVBNWKYSA-N 2 1 374.472 3.083 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534304 731369991 /nfs/dbraw/zinc/36/99/91/731369991.db2.gz LJASAKXJZBJTKH-OWYHZJEWSA-N 2 1 350.453 3.301 20 0 FGADMP C[NH2+][C@@H](C(=O)NCc1ccc(CC[NH3+])cc1)c1cccc(Cl)c1Cl ZINC000851631701 731480446 /nfs/dbraw/zinc/48/04/46/731480446.db2.gz FRADHUPMPIZJCG-QGZVFWFLSA-N 2 1 366.292 3.072 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000852009110 731532038 /nfs/dbraw/zinc/53/20/38/731532038.db2.gz YRANGKITZPBJML-SFHVURJKSA-N 2 1 359.539 3.297 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000854150740 731798816 /nfs/dbraw/zinc/79/88/16/731798816.db2.gz WKVCDRHMZQNSQZ-ZDUSSCGKSA-N 2 1 374.501 3.395 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(SC(F)F)cc1 ZINC000854150740 731798821 /nfs/dbraw/zinc/79/88/21/731798821.db2.gz WKVCDRHMZQNSQZ-ZDUSSCGKSA-N 2 1 374.501 3.395 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183358 732190295 /nfs/dbraw/zinc/19/02/95/732190295.db2.gz CTHPKMVGLSJHCX-JYJNAYRXSA-N 2 1 351.535 3.285 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CN1C(=O)OC(C)(C)C ZINC000858532292 732224775 /nfs/dbraw/zinc/22/47/75/732224775.db2.gz LZXNBDHODGPBKT-DISONHOPSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@H](C(=O)Nc1cccnc1Cl)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214295 732290926 /nfs/dbraw/zinc/29/09/26/732290926.db2.gz IMPXAJKTVJZBAD-CQSZACIVSA-N 2 1 360.889 3.256 20 0 FGADMP C[C@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214295 732290930 /nfs/dbraw/zinc/29/09/30/732290930.db2.gz IMPXAJKTVJZBAD-CQSZACIVSA-N 2 1 360.889 3.256 20 0 FGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000866213537 733325046 /nfs/dbraw/zinc/32/50/46/733325046.db2.gz RXCVZCHNIPSMIV-MJGOQNOKSA-N 2 1 358.555 3.043 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147481 735595116 /nfs/dbraw/zinc/59/51/16/735595116.db2.gz BOJABLKHOPVYKX-DGCLKSJQSA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1C(F)(F)F ZINC000872147481 735595118 /nfs/dbraw/zinc/59/51/18/735595118.db2.gz BOJABLKHOPVYKX-DGCLKSJQSA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157711 735596910 /nfs/dbraw/zinc/59/69/10/735596910.db2.gz PUXNJXAWCHRGSE-YZGWKJHDSA-N 2 1 350.547 3.192 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616862 737016400 /nfs/dbraw/zinc/01/64/00/737016400.db2.gz XYCJFYPRIIOHAU-INIZCTEOSA-N 2 1 365.587 3.294 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616862 737016406 /nfs/dbraw/zinc/01/64/06/737016406.db2.gz XYCJFYPRIIOHAU-INIZCTEOSA-N 2 1 365.587 3.294 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000880475293 737178974 /nfs/dbraw/zinc/17/89/74/737178974.db2.gz UZKCHFTWQSLDQG-KRWDZBQOSA-N 2 1 356.432 3.169 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2sccc2Br)s1 ZINC000883283057 737547139 /nfs/dbraw/zinc/54/71/39/737547139.db2.gz PPDFMPZDYFOUNV-UHFFFAOYSA-N 2 1 360.346 3.361 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883359115 737557328 /nfs/dbraw/zinc/55/73/28/737557328.db2.gz YRELDYQEDKNAAS-SNPRPXQTSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883359115 737557333 /nfs/dbraw/zinc/55/73/33/737557333.db2.gz YRELDYQEDKNAAS-SNPRPXQTSA-N 2 1 366.374 3.045 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCCC1(F)F ZINC000886626485 739277381 /nfs/dbraw/zinc/27/73/81/739277381.db2.gz CQCXRLYSFDHKHG-VPAKFMSCSA-N 2 1 350.453 3.178 20 0 FGADMP CCC1([NH3+])CCN(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000891596469 739919320 /nfs/dbraw/zinc/91/93/20/739919320.db2.gz CGRKYKXJEGOWFA-RDJZCZTQSA-N 2 1 364.559 3.044 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cc3c(cccc3O)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894076962 742235375 /nfs/dbraw/zinc/23/53/75/742235375.db2.gz REYFHSSWWLMLOM-QAPCUYQASA-N 2 1 359.539 3.065 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cc3c(cccc3O)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894076961 742235476 /nfs/dbraw/zinc/23/54/76/742235476.db2.gz REYFHSSWWLMLOM-MAUKXSAKSA-N 2 1 359.539 3.065 20 0 FGADMP FC(F)(F)c1cccc([C@@H]2CC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903756612 743880950 /nfs/dbraw/zinc/88/09/50/743880950.db2.gz UDQQIPXDIVBOCW-NJAFHUGGSA-N 2 1 354.416 3.263 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000903843410 743887709 /nfs/dbraw/zinc/88/77/09/743887709.db2.gz KQPRINSQODZGGR-GLQYFDAESA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000903843410 743887712 /nfs/dbraw/zinc/88/77/12/743887712.db2.gz KQPRINSQODZGGR-GLQYFDAESA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000903843072 743887746 /nfs/dbraw/zinc/88/77/46/743887746.db2.gz BNJJVYDQDFILEJ-GLQYFDAESA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000903843072 743887749 /nfs/dbraw/zinc/88/77/49/743887749.db2.gz BNJJVYDQDFILEJ-GLQYFDAESA-N 2 1 362.271 3.416 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCS[C@@H](C)[C@@H]2c2ccccc2)cnn1C ZINC000903894584 743893486 /nfs/dbraw/zinc/89/34/86/743893486.db2.gz ACTNNKBQHXJWPU-SQGPQFPESA-N 2 1 358.555 3.025 20 0 FGADMP CCOc1c(Br)cc(C[N@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904406402 743952897 /nfs/dbraw/zinc/95/28/97/743952897.db2.gz SFTGDDKEIZLMAK-GFCCVEGCSA-N 2 1 357.292 3.027 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@@H]1C(C)C ZINC000922391832 758911467 /nfs/dbraw/zinc/91/14/67/758911467.db2.gz ACUAGDYWBZRLIF-OHRYMORCSA-N 2 1 365.587 3.400 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c(OC)c1 ZINC000923501990 759133609 /nfs/dbraw/zinc/13/36/09/759133609.db2.gz VDDTWMRACXXBFG-ZIAGYGMSSA-N 2 1 361.511 3.244 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964156 759423461 /nfs/dbraw/zinc/42/34/61/759423461.db2.gz JKMHVSQVSQPWHF-NEPJUHHUSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964156 759423468 /nfs/dbraw/zinc/42/34/68/759423468.db2.gz JKMHVSQVSQPWHF-NEPJUHHUSA-N 2 1 363.449 3.005 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926205929 759676928 /nfs/dbraw/zinc/67/69/28/759676928.db2.gz DQJYWPZAZLBOSF-GJZGRUSLSA-N 2 1 350.507 3.024 20 0 FGADMP CCCC[N@H+](C[C@H]1CCCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033141 760760017 /nfs/dbraw/zinc/76/00/17/760760017.db2.gz FFMFZORXVYTIIE-MRXNPFEDSA-N 2 1 358.592 3.223 20 0 FGADMP CCCC[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033141 760760020 /nfs/dbraw/zinc/76/00/20/760760020.db2.gz FFMFZORXVYTIIE-MRXNPFEDSA-N 2 1 358.592 3.223 20 0 FGADMP C[NH+](C)CC1(O)CC[NH+](Cc2oc3ccccc3c2Br)CC1 ZINC000931481883 760872411 /nfs/dbraw/zinc/87/24/11/760872411.db2.gz WRKUHCJJSWTIBW-UHFFFAOYSA-N 2 1 367.287 3.084 20 0 FGADMP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193700 763463195 /nfs/dbraw/zinc/46/31/95/763463195.db2.gz FTQDYQJQBVAEGV-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193700 763463196 /nfs/dbraw/zinc/46/31/96/763463196.db2.gz FTQDYQJQBVAEGV-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193700 763463200 /nfs/dbraw/zinc/46/32/00/763463200.db2.gz FTQDYQJQBVAEGV-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193700 763463204 /nfs/dbraw/zinc/46/32/04/763463204.db2.gz FTQDYQJQBVAEGV-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC000996604539 765020889 /nfs/dbraw/zinc/02/08/89/765020889.db2.gz ULCRFEFKGJQYBX-JKSUJKDBSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC001024447629 766053305 /nfs/dbraw/zinc/05/33/05/766053305.db2.gz YWGGQAPDCRWXLZ-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001024447629 766053311 /nfs/dbraw/zinc/05/33/11/766053311.db2.gz YWGGQAPDCRWXLZ-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001024447629 766053317 /nfs/dbraw/zinc/05/33/17/766053317.db2.gz YWGGQAPDCRWXLZ-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001024447629 766053326 /nfs/dbraw/zinc/05/33/26/766053326.db2.gz YWGGQAPDCRWXLZ-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CCCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001024966915 766064291 /nfs/dbraw/zinc/06/42/91/766064291.db2.gz GLPAMDBSXJJQRC-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001027416815 766093362 /nfs/dbraw/zinc/09/33/62/766093362.db2.gz MGVVPHMOIXSUNH-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001027416815 766093367 /nfs/dbraw/zinc/09/33/67/766093367.db2.gz MGVVPHMOIXSUNH-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001027416815 766093374 /nfs/dbraw/zinc/09/33/74/766093374.db2.gz MGVVPHMOIXSUNH-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[NH+](C/C=C/Cl)C3)CC2)CC[N@H+]1C ZINC001039133482 766292651 /nfs/dbraw/zinc/29/26/51/766292651.db2.gz SZBCUKCRMWYARK-MBTHWUOESA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[N@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC001039133482 766292655 /nfs/dbraw/zinc/29/26/55/766292655.db2.gz SZBCUKCRMWYARK-MBTHWUOESA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H]3CC[N@@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC001039133482 766292659 /nfs/dbraw/zinc/29/26/59/766292659.db2.gz SZBCUKCRMWYARK-MBTHWUOESA-N 2 1 367.965 3.030 20 0 FGADMP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000302145616 257385476 /nfs/dbraw/zinc/38/54/76/257385476.db2.gz JBVYGVDKPPBAKX-SJCJKPOMSA-N 2 1 362.836 3.078 20 0 FGADMP Cc1cnc2cc(C(=O)Nc3cccc(CN4CCSCC4)c3)ccn12 ZINC000567913099 505573352 /nfs/dbraw/zinc/57/33/52/505573352.db2.gz VWOJYKQKABOHSF-UHFFFAOYSA-N 2 1 366.490 3.444 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000527713301 503909209 /nfs/dbraw/zinc/90/92/09/503909209.db2.gz RKFYRQUOSQKDBM-QFIPXVFZSA-N 2 1 365.521 3.408 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567910461 505573592 /nfs/dbraw/zinc/57/35/92/505573592.db2.gz YAQRLTWIWGXISG-QZTJIDSGSA-N 2 1 367.484 3.370 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567910461 505573596 /nfs/dbraw/zinc/57/35/96/505573596.db2.gz YAQRLTWIWGXISG-QZTJIDSGSA-N 2 1 367.484 3.370 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848643 503739895 /nfs/dbraw/zinc/73/98/95/503739895.db2.gz ZEEPHVXBNWQLDN-ZXFNITATSA-N 2 1 358.448 3.175 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567910463 505573689 /nfs/dbraw/zinc/57/36/89/505573689.db2.gz YAQRLTWIWGXISG-ZWKOTPCHSA-N 2 1 367.484 3.370 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567910463 505573693 /nfs/dbraw/zinc/57/36/93/505573693.db2.gz YAQRLTWIWGXISG-ZWKOTPCHSA-N 2 1 367.484 3.370 20 0 FGADMP CC[C@H](CNC(=O)c1ccccc1CC[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000567972653 505587204 /nfs/dbraw/zinc/58/72/04/505587204.db2.gz DNCIJYDJAGZIHT-OAQYLSRUSA-N 2 1 365.521 3.015 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000570839868 505592480 /nfs/dbraw/zinc/59/24/80/505592480.db2.gz PEQUILKREUUNQL-IEBWSBKVSA-N 2 1 372.538 3.089 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c2ccccc21 ZINC000579822425 505626759 /nfs/dbraw/zinc/62/67/59/505626759.db2.gz MECFQGSRPIQNFW-NJDAHSKKSA-N 2 1 371.912 3.448 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000576956552 505632967 /nfs/dbraw/zinc/63/29/67/505632967.db2.gz DNJWKBVQMRSAON-SJLPKXTDSA-N 2 1 369.538 3.035 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200867 505642404 /nfs/dbraw/zinc/64/24/04/505642404.db2.gz BOWNDHMLRKRLOD-AZUAARDMSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200867 505642407 /nfs/dbraw/zinc/64/24/07/505642407.db2.gz BOWNDHMLRKRLOD-AZUAARDMSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200867 505642410 /nfs/dbraw/zinc/64/24/10/505642410.db2.gz BOWNDHMLRKRLOD-AZUAARDMSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568232977 505649276 /nfs/dbraw/zinc/64/92/76/505649276.db2.gz YPENEVSGUYBEOG-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000579979255 505655969 /nfs/dbraw/zinc/65/59/69/505655969.db2.gz DFKAJYMEPPVZBP-QFIPXVFZSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000047968492 493767447 /nfs/dbraw/zinc/76/74/47/493767447.db2.gz OBNNPDKMODQSLX-LJQANCHMSA-N 2 1 357.542 3.288 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000075799830 493779538 /nfs/dbraw/zinc/77/95/38/493779538.db2.gz SZSALDPYNMCLAD-UHFFFAOYSA-N 2 1 352.478 3.255 20 0 FGADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075885787 493790559 /nfs/dbraw/zinc/79/05/59/493790559.db2.gz BXVTXVHBINLGTJ-OAQYLSRUSA-N 2 1 359.558 3.239 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000057844252 493807241 /nfs/dbraw/zinc/80/72/41/493807241.db2.gz CJHDRLWDIWSYKA-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024737 493892163 /nfs/dbraw/zinc/89/21/63/493892163.db2.gz OLHHYIKIGXDILU-RTBURBONSA-N 2 1 371.550 3.379 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000076491507 493904539 /nfs/dbraw/zinc/90/45/39/493904539.db2.gz FWXRBGBGOLUCLN-NRSPTQNISA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000076491507 493904540 /nfs/dbraw/zinc/90/45/40/493904540.db2.gz FWXRBGBGOLUCLN-NRSPTQNISA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000076491507 493904547 /nfs/dbraw/zinc/90/45/47/493904547.db2.gz FWXRBGBGOLUCLN-NRSPTQNISA-N 2 1 357.542 3.087 20 0 FGADMP Cc1ccc(-c2nnc([C@@H](C)[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000069029681 493908571 /nfs/dbraw/zinc/90/85/71/493908571.db2.gz WZQPIZHHYCIDLJ-QGZVFWFLSA-N 2 1 370.497 3.150 20 0 FGADMP CC[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000051532698 493974873 /nfs/dbraw/zinc/97/48/73/493974873.db2.gz YKXUTJTZLRIHMT-IBGZPJMESA-N 2 1 357.542 3.198 20 0 FGADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000051532697 493975151 /nfs/dbraw/zinc/97/51/51/493975151.db2.gz YKXUTJTZLRIHMT-LJQANCHMSA-N 2 1 357.542 3.198 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)co2)cc1 ZINC000051958441 493993790 /nfs/dbraw/zinc/99/37/90/493993790.db2.gz MLKXTJBEGJMMGT-UHFFFAOYSA-N 2 1 355.482 3.194 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214654 494009180 /nfs/dbraw/zinc/00/91/80/494009180.db2.gz ULJASLYBQINFEB-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214654 494009184 /nfs/dbraw/zinc/00/91/84/494009184.db2.gz ULJASLYBQINFEB-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000083214654 494009189 /nfs/dbraw/zinc/00/91/89/494009189.db2.gz ULJASLYBQINFEB-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000077202447 494031966 /nfs/dbraw/zinc/03/19/66/494031966.db2.gz COYWKPHYPCQGHK-NRFANRHFSA-N 2 1 370.541 3.417 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000070448134 494043576 /nfs/dbraw/zinc/04/35/76/494043576.db2.gz AASXRRAPTKHHCX-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)CC(C)C ZINC000071925811 494108512 /nfs/dbraw/zinc/10/85/12/494108512.db2.gz PAUVPSKXOCDSDH-NHCUHLMSSA-N 2 1 374.573 3.441 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)CC(C)C ZINC000071925811 494108515 /nfs/dbraw/zinc/10/85/15/494108515.db2.gz PAUVPSKXOCDSDH-NHCUHLMSSA-N 2 1 374.573 3.441 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000086359823 494149559 /nfs/dbraw/zinc/14/95/59/494149559.db2.gz NEEWFPPXFJDZQU-QGZVFWFLSA-N 2 1 369.513 3.417 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000072504357 494187116 /nfs/dbraw/zinc/18/71/16/494187116.db2.gz DNMJADRBDOPPPI-MSOLQXFVSA-N 2 1 374.529 3.108 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000065441854 494197322 /nfs/dbraw/zinc/19/73/22/494197322.db2.gz JOTYYHDHOFAOGI-NRFANRHFSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)[NH+](C)C)cc1 ZINC000065468483 494200302 /nfs/dbraw/zinc/20/03/02/494200302.db2.gz SFKMXDUCFWCVRC-NRFANRHFSA-N 2 1 374.573 3.360 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000065479597 494202406 /nfs/dbraw/zinc/20/24/06/494202406.db2.gz HUKQGJLROPCPDJ-CTNGQTDRSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000088174752 494211433 /nfs/dbraw/zinc/21/14/33/494211433.db2.gz SCBBEZXISNWEBH-UHFFFAOYSA-N 2 1 358.267 3.113 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1C ZINC000072599802 494213624 /nfs/dbraw/zinc/21/36/24/494213624.db2.gz VZSZJDNJVLNUDO-MRXNPFEDSA-N 2 1 350.482 3.014 20 0 FGADMP CC[C@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697619 494235851 /nfs/dbraw/zinc/23/58/51/494235851.db2.gz WQWIAEIARINEOC-LPHOPBHVSA-N 2 1 361.555 3.294 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000054511135 494243302 /nfs/dbraw/zinc/24/33/02/494243302.db2.gz AFRQRHROCHNKBZ-HXUWFJFHSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054718912 494264577 /nfs/dbraw/zinc/26/45/77/494264577.db2.gz VJXQHLGFUMWHPI-AEFFLSMTSA-N 2 1 372.557 3.430 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000089158368 494270730 /nfs/dbraw/zinc/27/07/30/494270730.db2.gz PQHFYKKQDDZGIK-XLIONFOSSA-N 2 1 359.514 3.250 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000089158368 494270735 /nfs/dbraw/zinc/27/07/35/494270735.db2.gz PQHFYKKQDDZGIK-XLIONFOSSA-N 2 1 359.514 3.250 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000066179026 494284892 /nfs/dbraw/zinc/28/48/92/494284892.db2.gz NDUQGWLEJXLVRE-KDURUIRLSA-N 2 1 366.594 3.260 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccccc3Cl)CC2)CC1 ZINC000066568369 494357400 /nfs/dbraw/zinc/35/74/00/494357400.db2.gz KKSKMLGQTMQIFC-UHFFFAOYSA-N 2 1 363.933 3.106 20 0 FGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000066594168 494362491 /nfs/dbraw/zinc/36/24/91/494362491.db2.gz BXJLYCQEFJPPAG-SFHVURJKSA-N 2 1 371.550 3.298 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1cccs1 ZINC000073605323 494398524 /nfs/dbraw/zinc/39/85/24/494398524.db2.gz JDBGTGOEEVUUCK-KRWDZBQOSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1cccs1 ZINC000073605323 494398527 /nfs/dbraw/zinc/39/85/27/494398527.db2.gz JDBGTGOEEVUUCK-KRWDZBQOSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000045121411 494399201 /nfs/dbraw/zinc/39/92/01/494399201.db2.gz MXWPJPPXIYRQOH-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@H](C)C1 ZINC000090082446 494438564 /nfs/dbraw/zinc/43/85/64/494438564.db2.gz OCGUVPHKZBYZKQ-RISCZKNCSA-N 2 1 365.827 3.453 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000079433301 494452802 /nfs/dbraw/zinc/45/28/02/494452802.db2.gz BLLYSGGQPHUMGQ-GOSISDBHSA-N 2 1 373.541 3.022 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](CC)C2)C1 ZINC000074169265 494491157 /nfs/dbraw/zinc/49/11/57/494491157.db2.gz WVNCGYIYXICDHO-RBUKOAKNSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](CC)C2)C1 ZINC000074169265 494491161 /nfs/dbraw/zinc/49/11/61/494491161.db2.gz WVNCGYIYXICDHO-RBUKOAKNSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)C1 ZINC000074169265 494491165 /nfs/dbraw/zinc/49/11/65/494491165.db2.gz WVNCGYIYXICDHO-RBUKOAKNSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000074188308 494494791 /nfs/dbraw/zinc/49/47/91/494494791.db2.gz ARHZETKGWQXYMD-LJQANCHMSA-N 2 1 354.498 3.350 20 0 FGADMP CC[C@@H](CNC(=O)CCn1cc[nH+]c1C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000074199049 494496844 /nfs/dbraw/zinc/49/68/44/494496844.db2.gz KSUHSANOGRMFEY-FQEVSTJZSA-N 2 1 368.525 3.350 20 0 FGADMP CC[C@@H](CNC(=O)CCn1cc[nH+]c1C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000074199049 494496847 /nfs/dbraw/zinc/49/68/47/494496847.db2.gz KSUHSANOGRMFEY-FQEVSTJZSA-N 2 1 368.525 3.350 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000090801333 494497582 /nfs/dbraw/zinc/49/75/82/494497582.db2.gz FHQDEPZGBZUWSC-NRFANRHFSA-N 2 1 368.500 3.096 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000074220887 494500036 /nfs/dbraw/zinc/50/00/36/494500036.db2.gz AMBDZGDIXGYRLL-OAQYLSRUSA-N 2 1 371.569 3.477 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000079709774 494512657 /nfs/dbraw/zinc/51/26/57/494512657.db2.gz CSLPNDYHOUZUIK-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000079709774 494512659 /nfs/dbraw/zinc/51/26/59/494512659.db2.gz CSLPNDYHOUZUIK-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709774 494512662 /nfs/dbraw/zinc/51/26/62/494512662.db2.gz CSLPNDYHOUZUIK-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709774 494512663 /nfs/dbraw/zinc/51/26/63/494512663.db2.gz CSLPNDYHOUZUIK-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000079709786 494512885 /nfs/dbraw/zinc/51/28/85/494512885.db2.gz CSLPNDYHOUZUIK-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000079709786 494512890 /nfs/dbraw/zinc/51/28/90/494512890.db2.gz CSLPNDYHOUZUIK-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709786 494512892 /nfs/dbraw/zinc/51/28/92/494512892.db2.gz CSLPNDYHOUZUIK-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709786 494512897 /nfs/dbraw/zinc/51/28/97/494512897.db2.gz CSLPNDYHOUZUIK-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067409138 494533996 /nfs/dbraw/zinc/53/39/96/494533996.db2.gz ALSUTSUMDGYXDH-OALUTQOASA-N 2 1 374.573 3.400 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067570989 494570283 /nfs/dbraw/zinc/57/02/83/494570283.db2.gz LSZQNCSSZPOQGU-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)c(OCC[NH+](C)C)c1 ZINC000074680343 494576698 /nfs/dbraw/zinc/57/66/98/494576698.db2.gz XNSIQYKLHFNNNW-UHFFFAOYSA-N 2 1 358.486 3.284 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080072073 494585141 /nfs/dbraw/zinc/58/51/41/494585141.db2.gz HDSLNCVXMCLCNU-QWFCFKBJSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000121096343 494593996 /nfs/dbraw/zinc/59/39/96/494593996.db2.gz DWANTWZCNXRCPY-QYZOEREBSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000080166693 494622514 /nfs/dbraw/zinc/62/25/14/494622514.db2.gz UCMAJBYDBPSIPQ-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000571431507 505731976 /nfs/dbraw/zinc/73/19/76/505731976.db2.gz MNHSVILTQUYKCJ-VAMGGRTRSA-N 2 1 371.456 3.260 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000126079185 494629207 /nfs/dbraw/zinc/62/92/07/494629207.db2.gz OJNCVEWMVFFKLR-QFBILLFUSA-N 2 1 351.485 3.359 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000126079185 494629218 /nfs/dbraw/zinc/62/92/18/494629218.db2.gz OJNCVEWMVFFKLR-QFBILLFUSA-N 2 1 351.485 3.359 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338380 494679579 /nfs/dbraw/zinc/67/95/79/494679579.db2.gz RPEHNIVFRBLMPS-UTKZUKDTSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338380 494679583 /nfs/dbraw/zinc/67/95/83/494679583.db2.gz RPEHNIVFRBLMPS-UTKZUKDTSA-N 2 1 351.494 3.189 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000126293712 494699586 /nfs/dbraw/zinc/69/95/86/494699586.db2.gz MEXORQAVMIKUND-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000080496509 494718842 /nfs/dbraw/zinc/71/88/42/494718842.db2.gz HTXCKSRQKUJNAS-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000080496509 494718848 /nfs/dbraw/zinc/71/88/48/494718848.db2.gz HTXCKSRQKUJNAS-HXUWFJFHSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1cccnc1 ZINC000092745516 494735941 /nfs/dbraw/zinc/73/59/41/494735941.db2.gz FIDUBZWILOCBTP-GOSISDBHSA-N 2 1 369.509 3.422 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000025508876 494751400 /nfs/dbraw/zinc/75/14/00/494751400.db2.gz MIHQBUHDMRMPAF-OTWHNJEPSA-N 2 1 357.542 3.134 20 0 FGADMP C[N@H+](CCC(=O)NC1CCCC1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821260 494764907 /nfs/dbraw/zinc/76/49/07/494764907.db2.gz QSZQUQDVVFQMKU-UHFFFAOYSA-N 2 1 358.530 3.069 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC3CC[NH+](C)CC3)c2c1C ZINC000026227049 494810390 /nfs/dbraw/zinc/81/03/90/494810390.db2.gz QDOREPRAWKVMBU-UHFFFAOYSA-N 2 1 359.543 3.410 20 0 FGADMP CC(C)CCC[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121619799 494822030 /nfs/dbraw/zinc/82/20/30/494822030.db2.gz VKLTUXIWBMKWFS-WRURNZQNSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc([C@@H]4C[C@H]4C)o3)CC2)CC1 ZINC000093141780 494834208 /nfs/dbraw/zinc/83/42/08/494834208.db2.gz LHKWXLAPRUFAIU-YLJYHZDGSA-N 2 1 373.541 3.169 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000093147741 494834516 /nfs/dbraw/zinc/83/45/16/494834516.db2.gz UAJZJUSRYDINDY-QFIPXVFZSA-N 2 1 364.537 3.351 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000093147741 494834519 /nfs/dbraw/zinc/83/45/19/494834519.db2.gz UAJZJUSRYDINDY-QFIPXVFZSA-N 2 1 364.537 3.351 20 0 FGADMP C[C@H]1COCC[N@H+]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000568650281 505745075 /nfs/dbraw/zinc/74/50/75/505745075.db2.gz STIZDZAZYUWBQX-HNNXBMFYSA-N 2 1 372.431 3.269 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116817432 494856787 /nfs/dbraw/zinc/85/67/87/494856787.db2.gz XMPYLIOXYOVTQQ-MRXNPFEDSA-N 2 1 353.894 3.093 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000121801470 494863448 /nfs/dbraw/zinc/86/34/48/494863448.db2.gz NREVTCWPWCSERF-UHFFFAOYSA-N 2 1 363.465 3.457 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1F ZINC000121872702 494878965 /nfs/dbraw/zinc/87/89/65/494878965.db2.gz HGXOKDUPDYCPJG-NRFANRHFSA-N 2 1 369.484 3.168 20 0 FGADMP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121942584 494896259 /nfs/dbraw/zinc/89/62/59/494896259.db2.gz PCPNQFZGYUEPPP-OAHLLOKOSA-N 2 1 350.532 3.058 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000122200482 494939472 /nfs/dbraw/zinc/93/94/72/494939472.db2.gz YBPUTEYTATZDCO-INIZCTEOSA-N 2 1 352.523 3.324 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C(C)C)no2)CC1 ZINC000122200482 494939474 /nfs/dbraw/zinc/93/94/74/494939474.db2.gz YBPUTEYTATZDCO-INIZCTEOSA-N 2 1 352.523 3.324 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(COC)o3)CC2)cs1 ZINC000127695108 494982904 /nfs/dbraw/zinc/98/29/04/494982904.db2.gz QORBCTAYLAQGEW-UHFFFAOYSA-N 2 1 363.527 3.447 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000110871162 495015871 /nfs/dbraw/zinc/01/58/71/495015871.db2.gz ZFEHAPGUZXQZIH-NRFANRHFSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000110871162 495015874 /nfs/dbraw/zinc/01/58/74/495015874.db2.gz ZFEHAPGUZXQZIH-NRFANRHFSA-N 2 1 353.510 3.446 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000571533819 505756284 /nfs/dbraw/zinc/75/62/84/505756284.db2.gz FGSXJLIHSANVFM-INIZCTEOSA-N 2 1 367.331 3.007 20 0 FGADMP C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007126 495029758 /nfs/dbraw/zinc/02/97/58/495029758.db2.gz VTKXFVXVDORZFW-JSGCOSHPSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000128007126 495029763 /nfs/dbraw/zinc/02/97/63/495029763.db2.gz VTKXFVXVDORZFW-JSGCOSHPSA-N 2 1 358.313 3.231 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000128055043 495038103 /nfs/dbraw/zinc/03/81/03/495038103.db2.gz SSZNSNGFPHGYGN-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000133767984 495058881 /nfs/dbraw/zinc/05/88/81/495058881.db2.gz IDZCLHCILXWDLT-OAQYLSRUSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000123037655 495071083 /nfs/dbraw/zinc/07/10/83/495071083.db2.gz UJEMXPCXDXQGEL-KDURUIRLSA-N 2 1 352.526 3.225 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc3ncccc3c2)CC1 ZINC000123037655 495071087 /nfs/dbraw/zinc/07/10/87/495071087.db2.gz UJEMXPCXDXQGEL-KDURUIRLSA-N 2 1 352.526 3.225 20 0 FGADMP CC(C)c1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CC2 ZINC000119018472 495072250 /nfs/dbraw/zinc/07/22/50/495072250.db2.gz VUDURCCLDONQDH-FQEVSTJZSA-N 2 1 367.541 3.013 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000123045535 495072390 /nfs/dbraw/zinc/07/23/90/495072390.db2.gz YAGNQGMZCHJAQD-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000123045535 495072392 /nfs/dbraw/zinc/07/23/92/495072392.db2.gz YAGNQGMZCHJAQD-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123045535 495072397 /nfs/dbraw/zinc/07/23/97/495072397.db2.gz YAGNQGMZCHJAQD-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000123045535 495072402 /nfs/dbraw/zinc/07/24/02/495072402.db2.gz YAGNQGMZCHJAQD-RDBSUJKOSA-N 2 1 361.313 3.148 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326399 495079428 /nfs/dbraw/zinc/07/94/28/495079428.db2.gz DGUCNUIKDHHUAF-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326399 495079432 /nfs/dbraw/zinc/07/94/32/495079432.db2.gz DGUCNUIKDHHUAF-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326399 495079433 /nfs/dbraw/zinc/07/94/33/495079433.db2.gz DGUCNUIKDHHUAF-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000123191663 495094376 /nfs/dbraw/zinc/09/43/76/495094376.db2.gz MDJZDQNEGRXYRW-UHFFFAOYSA-N 2 1 361.555 3.179 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134101387 495106045 /nfs/dbraw/zinc/10/60/45/495106045.db2.gz LJEPSQGAGFUQEI-SWUCNREESA-N 2 1 371.569 3.303 20 0 FGADMP c1ccc([C@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000134117617 495108359 /nfs/dbraw/zinc/10/83/59/495108359.db2.gz LFBOTXQLXFTMCV-QHCPKHFHSA-N 2 1 364.537 3.473 20 0 FGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000128513856 495109125 /nfs/dbraw/zinc/10/91/25/495109125.db2.gz QVAPUSKOLYTHBY-QGZVFWFLSA-N 2 1 355.473 3.356 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123300296 495110879 /nfs/dbraw/zinc/11/08/79/495110879.db2.gz RGKGKSXPKNWGNH-GUXCAODWSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123300296 495110884 /nfs/dbraw/zinc/11/08/84/495110884.db2.gz RGKGKSXPKNWGNH-GUXCAODWSA-N 2 1 369.513 3.366 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000128740950 495143773 /nfs/dbraw/zinc/14/37/73/495143773.db2.gz NMGXDTJEBAAMRC-AEFFLSMTSA-N 2 1 352.567 3.011 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836455 495156830 /nfs/dbraw/zinc/15/68/30/495156830.db2.gz WUDBQVMMYLFVRZ-IBGZPJMESA-N 2 1 373.541 3.352 20 0 FGADMP O=C(CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894850 495217757 /nfs/dbraw/zinc/21/77/57/495217757.db2.gz IOVNDHKGRSWNIZ-AUUYWEPGSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894850 495217770 /nfs/dbraw/zinc/21/77/70/495217770.db2.gz IOVNDHKGRSWNIZ-AUUYWEPGSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000134894850 495217775 /nfs/dbraw/zinc/21/77/75/495217775.db2.gz IOVNDHKGRSWNIZ-AUUYWEPGSA-N 2 1 363.452 3.242 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]C2CCC4(CC2)OCCO4)C3)cc1 ZINC000135264628 495270237 /nfs/dbraw/zinc/27/02/37/495270237.db2.gz PZANBLNZXQCDMJ-SEJPIABJSA-N 2 1 356.510 3.457 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000124332504 495271752 /nfs/dbraw/zinc/27/17/52/495271752.db2.gz RLUPLWCELFPMDW-IBGZPJMESA-N 2 1 365.949 3.417 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000124382023 495278654 /nfs/dbraw/zinc/27/86/54/495278654.db2.gz DAKBYEQZUCYRQZ-OAHLLOKOSA-N 2 1 353.938 3.273 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000568760262 505772226 /nfs/dbraw/zinc/77/22/26/505772226.db2.gz QEMXHTRSMBCABY-FXAWDEMLSA-N 2 1 351.494 3.176 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)[C@@H](C)c3ccccc3)CC2)oc1C ZINC000574445316 505774948 /nfs/dbraw/zinc/77/49/48/505774948.db2.gz YTHNJLVGAFETHM-KKSFZXQISA-N 2 1 371.525 3.258 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000124701125 495329595 /nfs/dbraw/zinc/32/95/95/495329595.db2.gz RIDYCGFQUJJRRB-HXUWFJFHSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000124701125 495329597 /nfs/dbraw/zinc/32/95/97/495329597.db2.gz RIDYCGFQUJJRRB-HXUWFJFHSA-N 2 1 352.526 3.145 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000105079372 495333812 /nfs/dbraw/zinc/33/38/12/495333812.db2.gz CLNDLHURIBXVEW-UHFFFAOYSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000105113516 495337753 /nfs/dbraw/zinc/33/77/53/495337753.db2.gz UVQLNSXKASHHBS-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000105113516 495337757 /nfs/dbraw/zinc/33/77/57/495337757.db2.gz UVQLNSXKASHHBS-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000105113516 495337761 /nfs/dbraw/zinc/33/77/61/495337761.db2.gz UVQLNSXKASHHBS-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP C[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCCC1 ZINC000105294884 495353437 /nfs/dbraw/zinc/35/34/37/495353437.db2.gz RFDLZWPYVXFIQI-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571633508 505778058 /nfs/dbraw/zinc/77/80/58/505778058.db2.gz BHOAOGYQLYHRCJ-FUHWJXTLSA-N 2 1 367.896 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571633508 505778062 /nfs/dbraw/zinc/77/80/62/505778062.db2.gz BHOAOGYQLYHRCJ-FUHWJXTLSA-N 2 1 367.896 3.248 20 0 FGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088128 495388647 /nfs/dbraw/zinc/38/86/47/495388647.db2.gz DSAPECRAHYSAJF-FQEVSTJZSA-N 2 1 357.542 3.488 20 0 FGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088128 495388653 /nfs/dbraw/zinc/38/86/53/495388653.db2.gz DSAPECRAHYSAJF-FQEVSTJZSA-N 2 1 357.542 3.488 20 0 FGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088128 495388656 /nfs/dbraw/zinc/38/86/56/495388656.db2.gz DSAPECRAHYSAJF-FQEVSTJZSA-N 2 1 357.542 3.488 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000130420391 495389798 /nfs/dbraw/zinc/38/97/98/495389798.db2.gz STRMQGKJALOICH-HNNXBMFYSA-N 2 1 351.454 3.089 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc2ncccc21 ZINC000130420391 495389802 /nfs/dbraw/zinc/38/98/02/495389802.db2.gz STRMQGKJALOICH-HNNXBMFYSA-N 2 1 351.454 3.089 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](COC(F)F)C2)CC1 ZINC000568799725 505779474 /nfs/dbraw/zinc/77/94/74/505779474.db2.gz DJWFTEHBGCNBDY-QGZVFWFLSA-N 2 1 367.484 3.280 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000130555354 495410172 /nfs/dbraw/zinc/41/01/72/495410172.db2.gz LSYAXYSIAHMEDV-IBGZPJMESA-N 2 1 359.514 3.251 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000130555354 495410176 /nfs/dbraw/zinc/41/01/76/495410176.db2.gz LSYAXYSIAHMEDV-IBGZPJMESA-N 2 1 359.514 3.251 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000574473050 505780515 /nfs/dbraw/zinc/78/05/15/505780515.db2.gz BLQVJKXTNWKTOG-UHFFFAOYSA-N 2 1 372.513 3.005 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000130696029 495431567 /nfs/dbraw/zinc/43/15/67/495431567.db2.gz FCTQVZHHDMMAGT-OAHLLOKOSA-N 2 1 362.905 3.386 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000130696029 495431571 /nfs/dbraw/zinc/43/15/71/495431571.db2.gz FCTQVZHHDMMAGT-OAHLLOKOSA-N 2 1 362.905 3.386 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000137344593 495437815 /nfs/dbraw/zinc/43/78/15/495437815.db2.gz LAIVBYVWSCOVGC-UHFFFAOYSA-N 2 1 359.514 3.411 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000130747515 495439575 /nfs/dbraw/zinc/43/95/75/495439575.db2.gz NACAPKPGUFMGBJ-HXUWFJFHSA-N 2 1 354.498 3.095 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000130747515 495439577 /nfs/dbraw/zinc/43/95/77/495439577.db2.gz NACAPKPGUFMGBJ-HXUWFJFHSA-N 2 1 354.498 3.095 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000125409353 495440014 /nfs/dbraw/zinc/44/00/14/495440014.db2.gz RFTMEXBLIQFFGY-RLHVNXBHSA-N 2 1 372.557 3.069 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000137568602 495445973 /nfs/dbraw/zinc/44/59/73/495445973.db2.gz HZUBGSZVXZYCCT-LJQANCHMSA-N 2 1 359.514 3.364 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000120759813 495452214 /nfs/dbraw/zinc/45/22/14/495452214.db2.gz NONSTYMBKUHCDD-JOCHJYFZSA-N 2 1 365.521 3.419 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000130849101 495455081 /nfs/dbraw/zinc/45/50/81/495455081.db2.gz BQRJRVKVFNRXEG-DLBZAZTESA-N 2 1 354.498 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000130849101 495455087 /nfs/dbraw/zinc/45/50/87/495455087.db2.gz BQRJRVKVFNRXEG-DLBZAZTESA-N 2 1 354.498 3.270 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C1 ZINC000130936135 495468361 /nfs/dbraw/zinc/46/83/61/495468361.db2.gz JGEFXWZMUYRGKX-PMACEKPBSA-N 2 1 366.594 3.022 20 0 FGADMP C[N@H+](CCCO)C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000115547280 495515368 /nfs/dbraw/zinc/51/53/68/495515368.db2.gz YBNMCASFSGNYDN-UHFFFAOYSA-N 2 1 356.510 3.387 20 0 FGADMP C[N@@H+](CCCO)C1CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000115547280 495515371 /nfs/dbraw/zinc/51/53/71/495515371.db2.gz YBNMCASFSGNYDN-UHFFFAOYSA-N 2 1 356.510 3.387 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158742047 495579442 /nfs/dbraw/zinc/57/94/42/495579442.db2.gz WCYDGBWYJKWGFQ-WBVHZDCISA-N 2 1 360.889 3.349 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000577775860 505790848 /nfs/dbraw/zinc/79/08/48/505790848.db2.gz XNTBBHNBSCYUPP-LEWJYISDSA-N 2 1 357.542 3.057 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173637293 495626506 /nfs/dbraw/zinc/62/65/06/495626506.db2.gz FENOUGHHUSJGTC-IBGZPJMESA-N 2 1 356.514 3.305 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173637293 495626514 /nfs/dbraw/zinc/62/65/14/495626514.db2.gz FENOUGHHUSJGTC-IBGZPJMESA-N 2 1 356.514 3.305 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173637293 495626520 /nfs/dbraw/zinc/62/65/20/495626520.db2.gz FENOUGHHUSJGTC-IBGZPJMESA-N 2 1 356.514 3.305 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173637293 495626526 /nfs/dbraw/zinc/62/65/26/495626526.db2.gz FENOUGHHUSJGTC-IBGZPJMESA-N 2 1 356.514 3.305 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000159088275 495654850 /nfs/dbraw/zinc/65/48/50/495654850.db2.gz ZRLAPIJOALNFKC-CQSZACIVSA-N 2 1 372.456 3.448 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679760 495676743 /nfs/dbraw/zinc/67/67/43/495676743.db2.gz AKMBDHNDHKRSMA-SJORKVTESA-N 2 1 359.514 3.185 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679760 495676747 /nfs/dbraw/zinc/67/67/47/495676747.db2.gz AKMBDHNDHKRSMA-SJORKVTESA-N 2 1 359.514 3.185 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185685690 495679666 /nfs/dbraw/zinc/67/96/66/495679666.db2.gz UNPUUZPBOWPEMV-WGGBDISSSA-N 2 1 369.553 3.497 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@@H](c1ccccc1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185685690 495679670 /nfs/dbraw/zinc/67/96/70/495679670.db2.gz UNPUUZPBOWPEMV-WGGBDISSSA-N 2 1 369.553 3.497 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173782706 495692056 /nfs/dbraw/zinc/69/20/56/495692056.db2.gz OPOMJUHBLQAZGK-YLJYHZDGSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713534 495692778 /nfs/dbraw/zinc/69/27/78/495692778.db2.gz VRTWYYKGPIMGLD-GJZGRUSLSA-N 2 1 374.916 3.091 20 0 FGADMP C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713534 495692782 /nfs/dbraw/zinc/69/27/82/495692782.db2.gz VRTWYYKGPIMGLD-GJZGRUSLSA-N 2 1 374.916 3.091 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744955 495707467 /nfs/dbraw/zinc/70/74/67/495707467.db2.gz IBRKXNBMLFIUMO-OKZBNKHCSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744955 495707473 /nfs/dbraw/zinc/70/74/73/495707473.db2.gz IBRKXNBMLFIUMO-OKZBNKHCSA-N 2 1 373.541 3.115 20 0 FGADMP CC[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000185795997 495729175 /nfs/dbraw/zinc/72/91/75/495729175.db2.gz NFDNKYFSNWTPQB-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000151129111 495747649 /nfs/dbraw/zinc/74/76/49/495747649.db2.gz JMIVZGVGFVTKHF-MRXNPFEDSA-N 2 1 363.933 3.266 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000173946152 495757524 /nfs/dbraw/zinc/75/75/24/495757524.db2.gz XZOGTOPHPUCCOY-LJQANCHMSA-N 2 1 373.541 3.207 20 0 FGADMP c1csc(-c2cnc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)c1 ZINC000173958520 495763657 /nfs/dbraw/zinc/76/36/57/495763657.db2.gz FRRADNNTXSAIIH-UHFFFAOYSA-N 2 1 361.511 3.480 20 0 FGADMP CCc1ccc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173956060 495764069 /nfs/dbraw/zinc/76/40/69/495764069.db2.gz PBASCBMHICFACE-SFHVURJKSA-N 2 1 373.541 3.153 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000176807314 495793619 /nfs/dbraw/zinc/79/36/19/495793619.db2.gz YYHHTRDSNPKJOL-JRGCBEDISA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000176807314 495793625 /nfs/dbraw/zinc/79/36/25/495793625.db2.gz YYHHTRDSNPKJOL-JRGCBEDISA-N 2 1 351.494 3.069 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000577847182 505804007 /nfs/dbraw/zinc/80/40/07/505804007.db2.gz ZSZDVIOSQMDUFZ-HBFSDRIKSA-N 2 1 363.933 3.139 20 0 FGADMP COc1cccc(C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000151359682 495815175 /nfs/dbraw/zinc/81/51/75/495815175.db2.gz AVKYQHAXCKNHBF-HSZRJFAPSA-N 2 1 368.521 3.415 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000174114865 495825968 /nfs/dbraw/zinc/82/59/68/495825968.db2.gz XXOTYLQDMWSMAQ-NRFANRHFSA-N 2 1 372.557 3.165 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000183139501 495850509 /nfs/dbraw/zinc/85/05/09/495850509.db2.gz JBKLOUHWICZRSH-RJGXRXQPSA-N 2 1 369.553 3.135 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000174212901 495867686 /nfs/dbraw/zinc/86/76/86/495867686.db2.gz CWUDZLXQHOTIFY-WBVHZDCISA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000174212901 495867696 /nfs/dbraw/zinc/86/76/96/495867696.db2.gz CWUDZLXQHOTIFY-WBVHZDCISA-N 2 1 374.447 3.109 20 0 FGADMP CO[C@@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000577871636 505809780 /nfs/dbraw/zinc/80/97/80/505809780.db2.gz VCNXEYRIQOUNAW-HZPDHXFCSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000577871636 505809782 /nfs/dbraw/zinc/80/97/82/505809782.db2.gz VCNXEYRIQOUNAW-HZPDHXFCSA-N 2 1 360.420 3.303 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174253726 495883513 /nfs/dbraw/zinc/88/35/13/495883513.db2.gz AEOHLHHDRAMEQS-RBUKOAKNSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000171480569 495894335 /nfs/dbraw/zinc/89/43/35/495894335.db2.gz FQZXVIAGGSSIPN-OAQYLSRUSA-N 2 1 357.542 3.450 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](c3nccn3C)C3CC3)CC2)cs1 ZINC000183276274 495912027 /nfs/dbraw/zinc/91/20/27/495912027.db2.gz YJTGFQYYOACXSJ-LJQANCHMSA-N 2 1 373.570 3.392 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000151688480 495919252 /nfs/dbraw/zinc/91/92/52/495919252.db2.gz XXCPHTMEOOAMBI-OAQYLSRUSA-N 2 1 373.516 3.079 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+]([C@H]3CCCc4ccc(F)cc43)CC2)CC1 ZINC000151688562 495919572 /nfs/dbraw/zinc/91/95/72/495919572.db2.gz XXCPHTMEOOAMBI-NRFANRHFSA-N 2 1 373.516 3.079 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000174350700 495922708 /nfs/dbraw/zinc/92/27/08/495922708.db2.gz DNEVKNLTYYXNMQ-LBPRGKRZSA-N 2 1 362.275 3.028 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180452519 496002488 /nfs/dbraw/zinc/00/24/88/496002488.db2.gz YKMQEXVHOBMONQ-QFIPXVFZSA-N 2 1 352.526 3.034 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000183569166 496033958 /nfs/dbraw/zinc/03/39/58/496033958.db2.gz HZVRXMSSSKQVAH-CTNGQTDRSA-N 2 1 357.473 3.137 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC000183672085 496073207 /nfs/dbraw/zinc/07/32/07/496073207.db2.gz OGBRMSXEYGPPJP-DNVCBOLYSA-N 2 1 369.440 3.410 20 0 FGADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000580719501 505822112 /nfs/dbraw/zinc/82/21/12/505822112.db2.gz CEMLSXIPRYCKKK-KRWDZBQOSA-N 2 1 353.919 3.100 20 0 FGADMP Cc1cccc(N2CCC([NH2+]Cc3cncc(Br)c3)CC2)[nH+]1 ZINC000183712392 496088984 /nfs/dbraw/zinc/08/89/84/496088984.db2.gz WZQFGQATQVCERW-UHFFFAOYSA-N 2 1 361.287 3.306 20 0 FGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000183715933 496091429 /nfs/dbraw/zinc/09/14/29/496091429.db2.gz RSOGVLSSHVJFAA-IRXDYDNUSA-N 2 1 362.514 3.117 20 0 FGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000183715933 496091436 /nfs/dbraw/zinc/09/14/36/496091436.db2.gz RSOGVLSSHVJFAA-IRXDYDNUSA-N 2 1 362.514 3.117 20 0 FGADMP COc1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(Br)c1 ZINC000577945348 505824475 /nfs/dbraw/zinc/82/44/75/505824475.db2.gz WQUGFPRCOMUTNC-YOEHRIQHSA-N 2 1 353.304 3.374 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000174949587 496178408 /nfs/dbraw/zinc/17/84/08/496178408.db2.gz VEPJYGVCUFUWES-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP O=C(CC[NH2+]C1CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000577962646 505828558 /nfs/dbraw/zinc/82/85/58/505828558.db2.gz BOFUNJVIJHFEJK-UHFFFAOYSA-N 2 1 363.505 3.062 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnc(C)nc3C)CC2)cs1 ZINC000161719807 496227550 /nfs/dbraw/zinc/22/75/50/496227550.db2.gz DEPCGSYXBKEBTO-ZDUSSCGKSA-N 2 1 359.543 3.421 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000180985571 496229905 /nfs/dbraw/zinc/22/99/05/496229905.db2.gz ZCUDCVUGTBEUBW-JOCHJYFZSA-N 2 1 364.489 3.209 20 0 FGADMP CC1(C)Cc2cc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@H](O)C3)ccc2O1 ZINC000180993977 496233648 /nfs/dbraw/zinc/23/36/48/496233648.db2.gz OMFCCWJRSUXREP-NRFANRHFSA-N 2 1 366.505 3.257 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)ccc23)[C@H](C)C1 ZINC000187011223 496250770 /nfs/dbraw/zinc/25/07/70/496250770.db2.gz YKQHWLJTOXRCIN-YLJYHZDGSA-N 2 1 372.509 3.328 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(=O)oc3cc(C)ccc23)[C@H](C)C1 ZINC000187011223 496250772 /nfs/dbraw/zinc/25/07/72/496250772.db2.gz YKQHWLJTOXRCIN-YLJYHZDGSA-N 2 1 372.509 3.328 20 0 FGADMP c1ccc(N2CCC([NH2+]C3CC[NH+](CCc4ccncc4)CC3)CC2)cc1 ZINC000152860007 496278061 /nfs/dbraw/zinc/27/80/61/496278061.db2.gz RRHLVKAFBCFXBQ-UHFFFAOYSA-N 2 1 364.537 3.347 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175232172 496300849 /nfs/dbraw/zinc/30/08/49/496300849.db2.gz BPHVPFLICCBSBY-IBGZPJMESA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000571878036 505835852 /nfs/dbraw/zinc/83/58/52/505835852.db2.gz QOIDTOMJOQJZCR-FQEVSTJZSA-N 2 1 371.569 3.179 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000178075565 496317596 /nfs/dbraw/zinc/31/75/96/496317596.db2.gz QOWMSJDRMPUPQJ-IEBWSBKVSA-N 2 1 359.514 3.187 20 0 FGADMP CC1CC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374467 496362357 /nfs/dbraw/zinc/36/23/57/496362357.db2.gz QDZDBYYKBYQCGA-TZIWHRDSSA-N 2 1 372.557 3.071 20 0 FGADMP CC1(C(=O)N2CC[NH2+]Cc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000571909273 505844138 /nfs/dbraw/zinc/84/41/38/505844138.db2.gz RYGVFZBRSNGQDH-UHFFFAOYSA-N 2 1 363.505 3.425 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000178272519 496395108 /nfs/dbraw/zinc/39/51/08/496395108.db2.gz WEIBZAMYTCHOGH-SFHVURJKSA-N 2 1 370.541 3.130 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000178272519 496395114 /nfs/dbraw/zinc/39/51/14/496395114.db2.gz WEIBZAMYTCHOGH-SFHVURJKSA-N 2 1 370.541 3.130 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097472 496404440 /nfs/dbraw/zinc/40/44/40/496404440.db2.gz OXZBWTGZCFYCAE-RTWAWAEBSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097472 496404445 /nfs/dbraw/zinc/40/44/45/496404445.db2.gz OXZBWTGZCFYCAE-RTWAWAEBSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1)C(C)C ZINC000157097472 496404447 /nfs/dbraw/zinc/40/44/47/496404447.db2.gz OXZBWTGZCFYCAE-RTWAWAEBSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCSCC(C)C)CC2)CC1 ZINC000153280422 496407264 /nfs/dbraw/zinc/40/72/64/496407264.db2.gz KIAIUQRQJCBKEU-UHFFFAOYSA-N 2 1 369.619 3.032 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796581 496414206 /nfs/dbraw/zinc/41/42/06/496414206.db2.gz UJSBPJQXZPIVSN-YFVAEKQCSA-N 2 1 360.542 3.140 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796581 496414212 /nfs/dbraw/zinc/41/42/12/496414212.db2.gz UJSBPJQXZPIVSN-YFVAEKQCSA-N 2 1 360.542 3.140 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@H]21 ZINC000162796581 496414218 /nfs/dbraw/zinc/41/42/18/496414218.db2.gz UJSBPJQXZPIVSN-YFVAEKQCSA-N 2 1 360.542 3.140 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@@H+]1C ZINC000162859161 496423973 /nfs/dbraw/zinc/42/39/73/496423973.db2.gz ZYHZXORTHZCQGB-UWJYYQICSA-N 2 1 350.510 3.217 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@H+]1C ZINC000162859161 496423975 /nfs/dbraw/zinc/42/39/75/496423975.db2.gz ZYHZXORTHZCQGB-UWJYYQICSA-N 2 1 350.510 3.217 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000162872892 496426806 /nfs/dbraw/zinc/42/68/06/496426806.db2.gz OLRWETGAKULMEI-BBWFWOEESA-N 2 1 350.503 3.244 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000175580300 496449590 /nfs/dbraw/zinc/44/95/90/496449590.db2.gz RTNDHMCXMVXSLB-RKVPGOIHSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000175580259 496450412 /nfs/dbraw/zinc/45/04/12/496450412.db2.gz RTNDHMCXMVXSLB-DAYGRLMNSA-N 2 1 366.937 3.115 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187465260 496453668 /nfs/dbraw/zinc/45/36/68/496453668.db2.gz SHCDQSXGDAOGNW-OAQYLSRUSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000157358109 496461790 /nfs/dbraw/zinc/46/17/90/496461790.db2.gz JNNJXSVBLAIKHN-QKLQHJQFSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000157912706 496583243 /nfs/dbraw/zinc/58/32/43/496583243.db2.gz TYJXLLRORKNTAO-IRXDYDNUSA-N 2 1 352.544 3.253 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000178889182 496606820 /nfs/dbraw/zinc/60/68/20/496606820.db2.gz KNAAUOFKIPVRDI-NRFANRHFSA-N 2 1 357.542 3.404 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1cccc(O)c1 ZINC000184978618 496608309 /nfs/dbraw/zinc/60/83/09/496608309.db2.gz PJNGUWXMLLHGMZ-UWJYYQICSA-N 2 1 369.509 3.194 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)c1cccc(O)c1 ZINC000184978618 496608311 /nfs/dbraw/zinc/60/83/11/496608311.db2.gz PJNGUWXMLLHGMZ-UWJYYQICSA-N 2 1 369.509 3.194 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000574786830 505855522 /nfs/dbraw/zinc/85/55/22/505855522.db2.gz BCMHQSJEFGCLSG-KKSFZXQISA-N 2 1 367.497 3.027 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000164603313 496622361 /nfs/dbraw/zinc/62/23/61/496622361.db2.gz AQCBGBICVKFFNM-AVRDEDQJSA-N 2 1 365.521 3.105 20 0 FGADMP CC(C)[N@@H+](C[C@@H](O)COc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000178955745 496628066 /nfs/dbraw/zinc/62/80/66/496628066.db2.gz AGHLCJRZWQVKAU-HXUWFJFHSA-N 2 1 356.510 3.290 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165004200 496643858 /nfs/dbraw/zinc/64/38/58/496643858.db2.gz SRKUPEWZJCQQKZ-GQIGUUNPSA-N 2 1 355.482 3.028 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165004200 496643861 /nfs/dbraw/zinc/64/38/61/496643861.db2.gz SRKUPEWZJCQQKZ-GQIGUUNPSA-N 2 1 355.482 3.028 20 0 FGADMP FC(F)(F)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000166162298 496678096 /nfs/dbraw/zinc/67/80/96/496678096.db2.gz WNSHKCDMMBVIEV-IAGOWNOFSA-N 2 1 368.447 3.286 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(Br)c1 ZINC000173405608 496679141 /nfs/dbraw/zinc/67/91/41/496679141.db2.gz AUHZBCNFQLSWCW-WMLDXEAASA-N 2 1 355.320 3.337 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000154100032 496683147 /nfs/dbraw/zinc/68/31/47/496683147.db2.gz TWEKRCFWOZWBOC-BPQIPLTHSA-N 2 1 371.506 3.348 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000154100032 496683150 /nfs/dbraw/zinc/68/31/50/496683150.db2.gz TWEKRCFWOZWBOC-BPQIPLTHSA-N 2 1 371.506 3.348 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)C1 ZINC000247005719 496749515 /nfs/dbraw/zinc/74/95/15/496749515.db2.gz PVCBGWVGGGXNGO-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1 ZINC000247005719 496749516 /nfs/dbraw/zinc/74/95/16/496749516.db2.gz PVCBGWVGGGXNGO-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)C1 ZINC000247005719 496749517 /nfs/dbraw/zinc/74/95/17/496749517.db2.gz PVCBGWVGGGXNGO-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(Br)s2)CC1 ZINC000191408731 496753726 /nfs/dbraw/zinc/75/37/26/496753726.db2.gz JTHSPJYMIBRPOM-UHFFFAOYSA-N 2 1 374.392 3.359 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)C[C@@H]1C ZINC000574835231 505864464 /nfs/dbraw/zinc/86/44/64/505864464.db2.gz BLCFLOULYFEXIL-JYAXBFRTSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C[C@@H]1C ZINC000574835231 505864468 /nfs/dbraw/zinc/86/44/68/505864468.db2.gz BLCFLOULYFEXIL-JYAXBFRTSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)C[C@@H]1C ZINC000574835231 505864475 /nfs/dbraw/zinc/86/44/75/505864475.db2.gz BLCFLOULYFEXIL-JYAXBFRTSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748619 496772699 /nfs/dbraw/zinc/77/26/99/496772699.db2.gz ISLSTFOLDCLMII-ICSRJNTNSA-N 2 1 367.541 3.047 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000247111209 496781836 /nfs/dbraw/zinc/78/18/36/496781836.db2.gz QPJLOZSZIMPIBT-JXFKEZNVSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000247111209 496781840 /nfs/dbraw/zinc/78/18/40/496781840.db2.gz QPJLOZSZIMPIBT-JXFKEZNVSA-N 2 1 352.482 3.154 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000247110601 496782017 /nfs/dbraw/zinc/78/20/17/496782017.db2.gz LKBIJOJRTICGFE-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000247110601 496782020 /nfs/dbraw/zinc/78/20/20/496782020.db2.gz LKBIJOJRTICGFE-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247123120 496785506 /nfs/dbraw/zinc/78/55/06/496785506.db2.gz AMTCPVIPTWDBMB-CPUCHLNUSA-N 2 1 367.440 3.031 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)COC2 ZINC000268784696 496785622 /nfs/dbraw/zinc/78/56/22/496785622.db2.gz JVQQPICEOCVKNY-SFHVURJKSA-N 2 1 365.521 3.315 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000273405754 496797408 /nfs/dbraw/zinc/79/74/08/496797408.db2.gz HPHRKVBOYJAQKQ-OPYAIIAOSA-N 2 1 372.557 3.021 20 0 FGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc2c(c1)OCCO2 ZINC000268909151 496820706 /nfs/dbraw/zinc/82/07/06/496820706.db2.gz STAMPDRLMIKHEI-SFHVURJKSA-N 2 1 360.498 3.144 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(OCC3CC3)cc2)C1 ZINC000191580971 496820957 /nfs/dbraw/zinc/82/09/57/496820957.db2.gz KZPKERVYJKYOCW-QFIPXVFZSA-N 2 1 366.505 3.332 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940885 496829355 /nfs/dbraw/zinc/82/93/55/496829355.db2.gz SSDPYNHKWGCNDX-AVRDEDQJSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335797 496837951 /nfs/dbraw/zinc/83/79/51/496837951.db2.gz NELHAWVUPSXVPB-WTLGNFPFSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335797 496837958 /nfs/dbraw/zinc/83/79/58/496837958.db2.gz NELHAWVUPSXVPB-WTLGNFPFSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000247335797 496837972 /nfs/dbraw/zinc/83/79/72/496837972.db2.gz NELHAWVUPSXVPB-WTLGNFPFSA-N 2 1 354.922 3.193 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2ccnc2C)C1 ZINC000247370810 496846230 /nfs/dbraw/zinc/84/62/30/496846230.db2.gz FATMIALSCXDFQC-FUHWJXTLSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000247370810 496846233 /nfs/dbraw/zinc/84/62/33/496846233.db2.gz FATMIALSCXDFQC-FUHWJXTLSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000247370810 496846239 /nfs/dbraw/zinc/84/62/39/496846239.db2.gz FATMIALSCXDFQC-FUHWJXTLSA-N 2 1 363.550 3.027 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401193 496852252 /nfs/dbraw/zinc/85/22/52/496852252.db2.gz XHRIIOYZKGPJEU-FUHIMQAGSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401193 496852257 /nfs/dbraw/zinc/85/22/57/496852257.db2.gz XHRIIOYZKGPJEU-FUHIMQAGSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401193 496852261 /nfs/dbraw/zinc/85/22/61/496852261.db2.gz XHRIIOYZKGPJEU-FUHIMQAGSA-N 2 1 368.949 3.442 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247649733 496900365 /nfs/dbraw/zinc/90/03/65/496900365.db2.gz WGAZACHGCMNQTR-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247649733 496900372 /nfs/dbraw/zinc/90/03/72/496900372.db2.gz WGAZACHGCMNQTR-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247649733 496900375 /nfs/dbraw/zinc/90/03/75/496900375.db2.gz WGAZACHGCMNQTR-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000247696122 496908089 /nfs/dbraw/zinc/90/80/89/496908089.db2.gz TYMKZSUMQFQVSL-PASDCYSWSA-N 2 1 358.461 3.171 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000247696122 496908093 /nfs/dbraw/zinc/90/80/93/496908093.db2.gz TYMKZSUMQFQVSL-PASDCYSWSA-N 2 1 358.461 3.171 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000247922243 496928149 /nfs/dbraw/zinc/92/81/49/496928149.db2.gz CBYOAABKXHSJBT-PCCBWWKXSA-N 2 1 370.541 3.092 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2cn(-c3ccccc3)nn2)[C@@H](C)C1 ZINC000247983198 496938564 /nfs/dbraw/zinc/93/85/64/496938564.db2.gz IOYMEMILIGUQJI-BJLQDIEVSA-N 2 1 371.529 3.055 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000195606599 496953549 /nfs/dbraw/zinc/95/35/49/496953549.db2.gz FOIQZIAMONSGDK-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195606599 496953555 /nfs/dbraw/zinc/95/35/55/496953555.db2.gz FOIQZIAMONSGDK-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000195606599 496953560 /nfs/dbraw/zinc/95/35/60/496953560.db2.gz FOIQZIAMONSGDK-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000269491724 496958529 /nfs/dbraw/zinc/95/85/29/496958529.db2.gz OCGYBSJEMCLIJM-GOSISDBHSA-N 2 1 371.529 3.134 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269491724 496958534 /nfs/dbraw/zinc/95/85/34/496958534.db2.gz OCGYBSJEMCLIJM-GOSISDBHSA-N 2 1 371.529 3.134 20 0 FGADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1-c1ccc(F)cc1 ZINC000248149351 496963856 /nfs/dbraw/zinc/96/38/56/496963856.db2.gz QNXSPFKGLLDJDH-UZLBHIALSA-N 2 1 374.504 3.207 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@@H+]1C ZINC000248181449 496968740 /nfs/dbraw/zinc/96/87/40/496968740.db2.gz WMXSVZGUSGDPNN-JLSDUUJJSA-N 2 1 355.448 3.352 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(Cc3ccc(C(F)(F)F)cc3)C2)CC[N@H+]1C ZINC000248181449 496968746 /nfs/dbraw/zinc/96/87/46/496968746.db2.gz WMXSVZGUSGDPNN-JLSDUUJJSA-N 2 1 355.448 3.352 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198231 496971925 /nfs/dbraw/zinc/97/19/25/496971925.db2.gz XTXGMKOZSAVOCA-BHDDXSALSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248198231 496971930 /nfs/dbraw/zinc/97/19/30/496971930.db2.gz XTXGMKOZSAVOCA-BHDDXSALSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248198231 496971935 /nfs/dbraw/zinc/97/19/35/496971935.db2.gz XTXGMKOZSAVOCA-BHDDXSALSA-N 2 1 360.542 3.006 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395683 496994320 /nfs/dbraw/zinc/99/43/20/496994320.db2.gz GOJCDJDXQUDMGQ-AKHDSKFASA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248395683 496994327 /nfs/dbraw/zinc/99/43/27/496994327.db2.gz GOJCDJDXQUDMGQ-AKHDSKFASA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248395683 496994333 /nfs/dbraw/zinc/99/43/33/496994333.db2.gz GOJCDJDXQUDMGQ-AKHDSKFASA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000189069651 496998314 /nfs/dbraw/zinc/99/83/14/496998314.db2.gz AORSJAHFWLQRGN-IUODEOHRSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000189069651 496998322 /nfs/dbraw/zinc/99/83/22/496998322.db2.gz AORSJAHFWLQRGN-IUODEOHRSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069651 496998327 /nfs/dbraw/zinc/99/83/27/496998327.db2.gz AORSJAHFWLQRGN-IUODEOHRSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069651 496998332 /nfs/dbraw/zinc/99/83/32/496998332.db2.gz AORSJAHFWLQRGN-IUODEOHRSA-N 2 1 359.283 3.382 20 0 FGADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N1CCCCC1 ZINC000248405312 496998386 /nfs/dbraw/zinc/99/83/86/496998386.db2.gz REDGMXHISWQIRE-YPAWHYETSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405308 496998717 /nfs/dbraw/zinc/99/87/17/496998717.db2.gz REDGMXHISWQIRE-BHIFYINESA-N 2 1 369.553 3.279 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999932 /nfs/dbraw/zinc/99/99/32/496999932.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[N@@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999935 /nfs/dbraw/zinc/99/99/35/496999935.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CC[N@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999936 /nfs/dbraw/zinc/99/99/36/496999936.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999938 /nfs/dbraw/zinc/99/99/38/496999938.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999939 /nfs/dbraw/zinc/99/99/39/496999939.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[N@@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999942 /nfs/dbraw/zinc/99/99/42/496999942.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@@H]4CC[N@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408783 496999943 /nfs/dbraw/zinc/99/99/43/496999943.db2.gz VWQRCBDBJJCKRV-SQOUVECCSA-N 2 1 353.554 3.361 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000248434007 497010465 /nfs/dbraw/zinc/01/04/65/497010465.db2.gz DPMCZOXKCSPJJB-TZIWHRDSSA-N 2 1 352.478 3.257 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000248442761 497012607 /nfs/dbraw/zinc/01/26/07/497012607.db2.gz LBQGOBCCJWYXJT-CBPXPLCBSA-N 2 1 370.537 3.081 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212895 505879580 /nfs/dbraw/zinc/87/95/80/505879580.db2.gz YYCNXKNWXVEVAL-DHIUTWEWSA-N 2 1 352.522 3.134 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460831 497020732 /nfs/dbraw/zinc/02/07/32/497020732.db2.gz OSSYWKASULIJAE-ZOBUZTSGSA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460831 497020737 /nfs/dbraw/zinc/02/07/37/497020737.db2.gz OSSYWKASULIJAE-ZOBUZTSGSA-N 2 1 374.447 3.107 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000248460831 497020742 /nfs/dbraw/zinc/02/07/42/497020742.db2.gz OSSYWKASULIJAE-ZOBUZTSGSA-N 2 1 374.447 3.107 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000248539597 497033874 /nfs/dbraw/zinc/03/38/74/497033874.db2.gz AWSMYMWUEPEDNS-MSOLQXFVSA-N 2 1 366.933 3.338 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000248539597 497033881 /nfs/dbraw/zinc/03/38/81/497033881.db2.gz AWSMYMWUEPEDNS-MSOLQXFVSA-N 2 1 366.933 3.338 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185202 497034848 /nfs/dbraw/zinc/03/48/48/497034848.db2.gz DVFZZOMPPPFECP-MAUKXSAKSA-N 2 1 357.523 3.060 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185202 497034853 /nfs/dbraw/zinc/03/48/53/497034853.db2.gz DVFZZOMPPPFECP-MAUKXSAKSA-N 2 1 357.523 3.060 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248707257 497083570 /nfs/dbraw/zinc/08/35/70/497083570.db2.gz AZDPPZKOIIREEC-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248707257 497083574 /nfs/dbraw/zinc/08/35/74/497083574.db2.gz AZDPPZKOIIREEC-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248707257 497083579 /nfs/dbraw/zinc/08/35/79/497083579.db2.gz AZDPPZKOIIREEC-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248721775 497087605 /nfs/dbraw/zinc/08/76/05/497087605.db2.gz FXOLUGIETRMGQZ-YUMYIRISSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248721775 497087610 /nfs/dbraw/zinc/08/76/10/497087610.db2.gz FXOLUGIETRMGQZ-YUMYIRISSA-N 2 1 370.537 3.215 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000248741549 497095030 /nfs/dbraw/zinc/09/50/30/497095030.db2.gz RAXOCTJDWHXZQP-OEWRPIJISA-N 2 1 369.553 3.134 20 0 FGADMP c1c(CC[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc2n1CCS2 ZINC000274432725 497097060 /nfs/dbraw/zinc/09/70/60/497097060.db2.gz WBOFHUZSWNXKFS-IHPCNDPISA-N 2 1 368.550 3.032 20 0 FGADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000248830441 497112518 /nfs/dbraw/zinc/11/25/18/497112518.db2.gz HHVUCOPQBXTEEM-XMSQKQJNSA-N 2 1 365.521 3.277 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000569235870 505886171 /nfs/dbraw/zinc/88/61/71/505886171.db2.gz REUJEGRJCLLVMB-IBGZPJMESA-N 2 1 367.493 3.088 20 0 FGADMP CC(C)[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000236656586 497128507 /nfs/dbraw/zinc/12/85/07/497128507.db2.gz AUFXALHOBNEZID-IFTBVCKDSA-N 2 1 369.553 3.106 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000236659489 497129177 /nfs/dbraw/zinc/12/91/77/497129177.db2.gz XVIZDCKCHBBOCX-UZKOGDIHSA-N 2 1 371.569 3.211 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000236786537 497146009 /nfs/dbraw/zinc/14/60/09/497146009.db2.gz CHESKGNXWHMKCN-KRWDZBQOSA-N 2 1 371.447 3.304 20 0 FGADMP Cc1c[nH+]ccc1NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000192562308 497149913 /nfs/dbraw/zinc/14/99/13/497149913.db2.gz CYDAHEIJMQWJOS-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000249203684 497179886 /nfs/dbraw/zinc/17/98/86/497179886.db2.gz VCEUTSBKCSOLNV-GPMSIDNRSA-N 2 1 360.477 3.117 20 0 FGADMP COc1ccc([C@@H](C)[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000249379900 497196499 /nfs/dbraw/zinc/19/64/99/497196499.db2.gz ZOGSASRCHWOOPF-DYESRHJHSA-N 2 1 369.509 3.107 20 0 FGADMP COc1ccc([C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000249379900 497196502 /nfs/dbraw/zinc/19/65/02/497196502.db2.gz ZOGSASRCHWOOPF-DYESRHJHSA-N 2 1 369.509 3.107 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000237152624 497198336 /nfs/dbraw/zinc/19/83/36/497198336.db2.gz JDUGKENBXJIZDQ-OAQYLSRUSA-N 2 1 369.553 3.457 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000192754552 497204918 /nfs/dbraw/zinc/20/49/18/497204918.db2.gz UMJFCYQNZPNMDC-QHCPKHFHSA-N 2 1 373.585 3.126 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000266020098 497234156 /nfs/dbraw/zinc/23/41/56/497234156.db2.gz RECVZVQPJSNREO-YESZJQIVSA-N 2 1 357.498 3.272 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000237475819 497242816 /nfs/dbraw/zinc/24/28/16/497242816.db2.gz BZKSUCXRBQXGBL-GCJKJVERSA-N 2 1 365.521 3.277 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N[C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)[nH+]c1 ZINC000249756668 497242879 /nfs/dbraw/zinc/24/28/79/497242879.db2.gz VEOIUEJUXCIXDU-GUDVDZBRSA-N 2 1 372.557 3.089 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000192933712 497250808 /nfs/dbraw/zinc/25/08/08/497250808.db2.gz HXZHKRMPWGAYMD-SFHVURJKSA-N 2 1 368.477 3.078 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237567687 497256659 /nfs/dbraw/zinc/25/66/59/497256659.db2.gz YXQOGGWEODRCTO-JRGCBEDISA-N 2 1 351.494 3.246 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)nc(C)n1 ZINC000574972568 505894820 /nfs/dbraw/zinc/89/48/20/505894820.db2.gz VTGLPHULSQFSQN-RTWAWAEBSA-N 2 1 365.525 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000237640094 497266329 /nfs/dbraw/zinc/26/63/29/497266329.db2.gz AAZUUVWLXNZLDB-LLGFUMIMSA-N 2 1 367.493 3.324 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2)C[C@H](C)O1 ZINC000237640094 497266336 /nfs/dbraw/zinc/26/63/36/497266336.db2.gz AAZUUVWLXNZLDB-LLGFUMIMSA-N 2 1 367.493 3.324 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000251503016 497274563 /nfs/dbraw/zinc/27/45/63/497274563.db2.gz FRXIQEGGSRVAKM-MOPGFXCFSA-N 2 1 372.557 3.012 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237836267 497299041 /nfs/dbraw/zinc/29/90/41/497299041.db2.gz LNLQXRMKPLEKHS-OAQYLSRUSA-N 2 1 373.516 3.171 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237836267 497299045 /nfs/dbraw/zinc/29/90/45/497299045.db2.gz LNLQXRMKPLEKHS-OAQYLSRUSA-N 2 1 373.516 3.171 20 0 FGADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCOc2cccc3ccccc32)CC1 ZINC000572132100 505897620 /nfs/dbraw/zinc/89/76/20/505897620.db2.gz YJTUITKTQNEQQS-UHFFFAOYSA-N 2 1 356.510 3.434 20 0 FGADMP [NH3+][C@H](CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237924685 497315004 /nfs/dbraw/zinc/31/50/04/497315004.db2.gz AGANJRYKJXTELD-LEWJYISDSA-N 2 1 351.494 3.247 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529110 497374548 /nfs/dbraw/zinc/37/45/48/497374548.db2.gz QRQLAYFWMOVUTL-RRQGHBQHSA-N 2 1 354.441 3.316 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000255955878 497380411 /nfs/dbraw/zinc/38/04/11/497380411.db2.gz FOIQZIAMONSGDK-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000255955878 497380416 /nfs/dbraw/zinc/38/04/16/497380416.db2.gz FOIQZIAMONSGDK-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000255955878 497380419 /nfs/dbraw/zinc/38/04/19/497380419.db2.gz FOIQZIAMONSGDK-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414095 497395038 /nfs/dbraw/zinc/39/50/38/497395038.db2.gz CBCSJPHYZLMAGG-WMLDXEAASA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414095 497395041 /nfs/dbraw/zinc/39/50/41/497395041.db2.gz CBCSJPHYZLMAGG-WMLDXEAASA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414095 497395044 /nfs/dbraw/zinc/39/50/44/497395044.db2.gz CBCSJPHYZLMAGG-WMLDXEAASA-N 2 1 367.921 3.339 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000245417808 497396078 /nfs/dbraw/zinc/39/60/78/497396078.db2.gz GIAIVFPDWIFOIA-IEBWSBKVSA-N 2 1 363.571 3.368 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000275664444 497397102 /nfs/dbraw/zinc/39/71/02/497397102.db2.gz VEEFASYYFSSHOV-UNMCSNQZSA-N 2 1 368.525 3.121 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432604 497401769 /nfs/dbraw/zinc/40/17/69/497401769.db2.gz OSIHHLKGPFCWEK-ICSRJNTNSA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432604 497401774 /nfs/dbraw/zinc/40/17/74/497401774.db2.gz OSIHHLKGPFCWEK-ICSRJNTNSA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@@H](C)C1 ZINC000245432604 497401777 /nfs/dbraw/zinc/40/17/77/497401777.db2.gz OSIHHLKGPFCWEK-ICSRJNTNSA-N 2 1 370.545 3.173 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438400 497406544 /nfs/dbraw/zinc/40/65/44/497406544.db2.gz SCQLRMZBTRYQRB-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438849 497407209 /nfs/dbraw/zinc/40/72/09/497407209.db2.gz YQNWSCWHFIRWGE-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438849 497407215 /nfs/dbraw/zinc/40/72/15/497407215.db2.gz YQNWSCWHFIRWGE-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438849 497407220 /nfs/dbraw/zinc/40/72/20/497407220.db2.gz YQNWSCWHFIRWGE-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271817115 497459305 /nfs/dbraw/zinc/45/93/05/497459305.db2.gz BPKOZTDSUPUQHQ-ZDUSSCGKSA-N 2 1 371.403 3.154 20 0 FGADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245579423 497463973 /nfs/dbraw/zinc/46/39/73/497463973.db2.gz IKAAKSAMMZGFKU-SESVDKBCSA-N 2 1 368.525 3.322 20 0 FGADMP C[C@]1(CN2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)CC[NH2+]C1 ZINC000261884140 497467543 /nfs/dbraw/zinc/46/75/43/497467543.db2.gz ROIDENKPZPJJHF-SFHVURJKSA-N 2 1 355.448 3.213 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC23CC[NH2+]CC3)C1 ZINC000261904167 497472528 /nfs/dbraw/zinc/47/25/28/497472528.db2.gz FLAKUQLPBYAPPE-LVCYWYKZSA-N 2 1 369.553 3.170 20 0 FGADMP C[C@@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261966813 497484082 /nfs/dbraw/zinc/48/40/82/497484082.db2.gz AXQUUYUONHIPPG-JDZQLOALSA-N 2 1 369.553 3.167 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262002255 497489653 /nfs/dbraw/zinc/48/96/53/497489653.db2.gz UEQGYMHRTYKMAP-CZUORRHYSA-N 2 1 370.278 3.428 20 0 FGADMP Ic1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262002255 497489659 /nfs/dbraw/zinc/48/96/59/497489659.db2.gz UEQGYMHRTYKMAP-CZUORRHYSA-N 2 1 370.278 3.428 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000193840855 497497806 /nfs/dbraw/zinc/49/78/06/497497806.db2.gz ZMCLLGCLWFQMFR-KRWDZBQOSA-N 2 1 352.567 3.203 20 0 FGADMP CC(C)(C)N1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000245681768 497499624 /nfs/dbraw/zinc/49/96/24/497499624.db2.gz JAPXEFKGTJDIBG-YSTOQKLRSA-N 2 1 355.526 3.171 20 0 FGADMP Fc1cc(F)cc(Oc2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)c1 ZINC000262086841 497506423 /nfs/dbraw/zinc/50/64/23/497506423.db2.gz GEPBKPDWBKCLCO-IBGZPJMESA-N 2 1 373.447 3.237 20 0 FGADMP N[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C[C@H]1c1ccccc1 ZINC000262109923 497509325 /nfs/dbraw/zinc/50/93/25/497509325.db2.gz ZXGJIUQEUQPYSB-ZWKOTPCHSA-N 2 1 368.868 3.359 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000262108128 497509551 /nfs/dbraw/zinc/50/95/51/497509551.db2.gz ZTHSSKAZFAXIKO-LJQANCHMSA-N 2 1 357.885 3.188 20 0 FGADMP CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000262203899 497523332 /nfs/dbraw/zinc/52/33/32/497523332.db2.gz SOMJFEOYRRWJOZ-QFIPXVFZSA-N 2 1 369.484 3.059 20 0 FGADMP CC(C)C[NH+]1CCO[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767646 497534303 /nfs/dbraw/zinc/53/43/03/497534303.db2.gz WQHANESJGAKVSA-BJESRGMDSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767646 497534307 /nfs/dbraw/zinc/53/43/07/497534307.db2.gz WQHANESJGAKVSA-BJESRGMDSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767646 497534309 /nfs/dbraw/zinc/53/43/09/497534309.db2.gz WQHANESJGAKVSA-BJESRGMDSA-N 2 1 371.569 3.128 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000245806223 497543459 /nfs/dbraw/zinc/54/34/59/497543459.db2.gz METSPRBWRLLYNA-MSOLQXFVSA-N 2 1 360.546 3.147 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000245838031 497547472 /nfs/dbraw/zinc/54/74/72/497547472.db2.gz CYWAUCPRMAEFKS-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1ccccc1 ZINC000245885009 497560496 /nfs/dbraw/zinc/56/04/96/497560496.db2.gz BNKZYXLSHOGREO-YSIASYRMSA-N 2 1 372.557 3.242 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)C1 ZINC000245901590 497564759 /nfs/dbraw/zinc/56/47/59/497564759.db2.gz DSOVUVYXQCGSSL-GUDVDZBRSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)C1 ZINC000245901590 497564760 /nfs/dbraw/zinc/56/47/60/497564760.db2.gz DSOVUVYXQCGSSL-GUDVDZBRSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)C1 ZINC000245901590 497564761 /nfs/dbraw/zinc/56/47/61/497564761.db2.gz DSOVUVYXQCGSSL-GUDVDZBRSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000272232139 497572278 /nfs/dbraw/zinc/57/22/78/497572278.db2.gz URPGBWVNWFIPSJ-JXFKEZNVSA-N 2 1 363.509 3.277 20 0 FGADMP CCC[NH+]1CC[C@H](CNc2nc(NC[C@H]3CC[N@H+](CCC)C3)ncc2C)C1 ZINC000245965297 497585720 /nfs/dbraw/zinc/58/57/20/497585720.db2.gz DWNBXZCUAINQMH-RTBURBONSA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@H](CNc2ncc(C)c(NC[C@H]3CC[N@H+](CCC)C3)n2)C1 ZINC000245965297 497585723 /nfs/dbraw/zinc/58/57/23/497585723.db2.gz DWNBXZCUAINQMH-RTBURBONSA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@H](CNc2ncc(C)c(NC[C@H]3CC[N@@H+](CCC)C3)n2)C1 ZINC000245965297 497585726 /nfs/dbraw/zinc/58/57/26/497585726.db2.gz DWNBXZCUAINQMH-RTBURBONSA-N 2 1 374.577 3.073 20 0 FGADMP CCC(CC)(CNC(=O)c1csc(C[NH3+])n1)[NH2+][C@@H](C)c1ccccc1 ZINC000262660895 497594027 /nfs/dbraw/zinc/59/40/27/497594027.db2.gz FYJVQOSEQUSQDJ-AWEZNQCLSA-N 2 1 360.527 3.241 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262685383 497599491 /nfs/dbraw/zinc/59/94/91/497599491.db2.gz XRQNXYHFOUZVRI-RXVVDRJESA-N 2 1 357.542 3.437 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246111134 497625325 /nfs/dbraw/zinc/62/53/25/497625325.db2.gz JQVGMWZEYOXJAM-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128640 497631107 /nfs/dbraw/zinc/63/11/07/497631107.db2.gz IVMUIYNJFYANIB-RYQLBKOJSA-N 2 1 366.575 3.255 20 0 FGADMP C[C@@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000246159823 497642063 /nfs/dbraw/zinc/64/20/63/497642063.db2.gz DWANTWZCNXRCPY-QRVBRYPASA-N 2 1 366.594 3.259 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)[C@H](C)C1 ZINC000276745278 497642288 /nfs/dbraw/zinc/64/22/88/497642288.db2.gz GZDCQBBNKRGCMI-RHSMWYFYSA-N 2 1 373.522 3.417 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)C(C)C ZINC000194406854 497656253 /nfs/dbraw/zinc/65/62/53/497656253.db2.gz RBDFTLZRRPLLGS-IBGZPJMESA-N 2 1 359.558 3.442 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000280148283 497663939 /nfs/dbraw/zinc/66/39/39/497663939.db2.gz FBDLODLPGVZLLG-FCHUYYIVSA-N 2 1 368.525 3.038 20 0 FGADMP CCOC(=O)c1ccc2c(c1)nc(CN(C)C[C@H]1CCC[N@@H+](C)C1)n2CC ZINC000581154496 505921666 /nfs/dbraw/zinc/92/16/66/505921666.db2.gz JCNGNWIQWULHEJ-INIZCTEOSA-N 2 1 372.513 3.007 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(OC)n3)CC2)cs1 ZINC000190999145 497678426 /nfs/dbraw/zinc/67/84/26/497678426.db2.gz ARROLTHQOKCKHV-UHFFFAOYSA-N 2 1 360.527 3.111 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246276178 497681060 /nfs/dbraw/zinc/68/10/60/497681060.db2.gz APNBHYNMCDBESV-UZKOGDIHSA-N 2 1 372.553 3.498 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246276178 497681064 /nfs/dbraw/zinc/68/10/64/497681064.db2.gz APNBHYNMCDBESV-UZKOGDIHSA-N 2 1 372.553 3.498 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000191041048 497690853 /nfs/dbraw/zinc/69/08/53/497690853.db2.gz ZNXQBZCEPXFTAJ-UHFFFAOYSA-N 2 1 355.448 3.227 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272672771 497697690 /nfs/dbraw/zinc/69/76/90/497697690.db2.gz PYJKHURBSPSPKH-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695456 497704557 /nfs/dbraw/zinc/70/45/57/497704557.db2.gz WYNPOTABAQXYOO-UYAOXDASSA-N 2 1 367.541 3.047 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2sccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000268224079 497704954 /nfs/dbraw/zinc/70/49/54/497704954.db2.gz QZECDHRFPNVMJN-QAPCUYQASA-N 2 1 357.523 3.203 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000268224079 497704961 /nfs/dbraw/zinc/70/49/61/497704961.db2.gz QZECDHRFPNVMJN-QAPCUYQASA-N 2 1 357.523 3.203 20 0 FGADMP Cc1ccc(NCCCNC(=O)NC2CC[NH+](CC3CCCC3)CC2)[nH+]c1 ZINC000194576697 497709527 /nfs/dbraw/zinc/70/95/27/497709527.db2.gz AEFSNZUMLVYNGA-UHFFFAOYSA-N 2 1 373.545 3.146 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736568 497717029 /nfs/dbraw/zinc/71/70/29/497717029.db2.gz JURRQJUNMSECQB-KSFYIVLOSA-N 2 1 352.478 3.134 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000277033826 497721600 /nfs/dbraw/zinc/72/16/00/497721600.db2.gz BIDLCJUTWOOQAF-MRXNPFEDSA-N 2 1 368.319 3.194 20 0 FGADMP CN(c1ccccc1C[NH2+]Cc1cn2ccsc2n1)C1CC[NH+](C)CC1 ZINC000268317570 497725766 /nfs/dbraw/zinc/72/57/66/497725766.db2.gz DMTGUBPIUIHWPE-UHFFFAOYSA-N 2 1 369.538 3.216 20 0 FGADMP CN(c1ccccc1C[NH2+]Cc1cn2ccccc2n1)C1CC[NH+](C)CC1 ZINC000268380790 497737318 /nfs/dbraw/zinc/73/73/18/497737318.db2.gz URJHAHINAMIITK-UHFFFAOYSA-N 2 1 363.509 3.155 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000263229866 497737520 /nfs/dbraw/zinc/73/75/20/497737520.db2.gz NHUCOQAEPKTNLY-ACIOBRDBSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000263229868 497737569 /nfs/dbraw/zinc/73/75/69/497737569.db2.gz NHUCOQAEPKTNLY-AKIFATBCSA-N 2 1 369.553 3.409 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246500709 497755080 /nfs/dbraw/zinc/75/50/80/497755080.db2.gz SPKRYGBVDSHYIV-RXVVDRJESA-N 2 1 374.573 3.400 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246511020 497758591 /nfs/dbraw/zinc/75/85/91/497758591.db2.gz BJALMBKTPUCZQF-KBPBESRZSA-N 2 1 353.894 3.010 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000246515025 497759858 /nfs/dbraw/zinc/75/98/58/497759858.db2.gz KBBLEVXWIPYYMP-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000246542106 497769528 /nfs/dbraw/zinc/76/95/28/497769528.db2.gz ASOILZCKVPQXTP-PCCBWWKXSA-N 2 1 372.557 3.195 20 0 FGADMP CCN(C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246570765 497778135 /nfs/dbraw/zinc/77/81/35/497778135.db2.gz LJCDORISMIFISR-UEXGIBASSA-N 2 1 355.526 3.377 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@@H](C)C1 ZINC000246842173 497815550 /nfs/dbraw/zinc/81/55/50/497815550.db2.gz BRMFYPAEARAAQQ-HNAYVOBHSA-N 2 1 359.514 3.438 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246888296 497818764 /nfs/dbraw/zinc/81/87/64/497818764.db2.gz QUXIOYOCXJCRMT-YYWHXJBOSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246888296 497818765 /nfs/dbraw/zinc/81/87/65/497818765.db2.gz QUXIOYOCXJCRMT-YYWHXJBOSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246888296 497818766 /nfs/dbraw/zinc/81/87/66/497818766.db2.gz QUXIOYOCXJCRMT-YYWHXJBOSA-N 2 1 357.542 3.232 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)cc1 ZINC000284540526 497824050 /nfs/dbraw/zinc/82/40/50/497824050.db2.gz GUQCAEVOCLEYLF-FCHUYYIVSA-N 2 1 369.484 3.347 20 0 FGADMP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364260247 497866289 /nfs/dbraw/zinc/86/62/89/497866289.db2.gz VCYXLQMPEWJSGX-DQKSBWHRSA-N 2 1 355.526 3.158 20 0 FGADMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000569452765 505939280 /nfs/dbraw/zinc/93/92/80/505939280.db2.gz QVPRCIXSNYFZHA-NHCUHLMSSA-N 2 1 365.521 3.493 20 0 FGADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CC[N@@H+](C)[C@H]3c3cccs3)ccc21 ZINC000364311391 497892736 /nfs/dbraw/zinc/89/27/36/497892736.db2.gz BLLQXOKITLVMMI-DYESRHJHSA-N 2 1 369.534 3.440 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OCc2nccn2C)cc1 ZINC000296029852 497897346 /nfs/dbraw/zinc/89/73/46/497897346.db2.gz SSOIXLWUDFOFKZ-UXDRXVOSSA-N 2 1 354.498 3.275 20 0 FGADMP Cc1cc(C(C)(C)NC[C@@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575221431 505944783 /nfs/dbraw/zinc/94/47/83/505944783.db2.gz UJWNCUKEYWQOAJ-OAHLLOKOSA-N 2 1 355.320 3.037 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@@H](O)CN(C)C2CC2)ccc1Br ZINC000575221431 505944788 /nfs/dbraw/zinc/94/47/88/505944788.db2.gz UJWNCUKEYWQOAJ-OAHLLOKOSA-N 2 1 355.320 3.037 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000575221431 505944790 /nfs/dbraw/zinc/94/47/90/505944790.db2.gz UJWNCUKEYWQOAJ-OAHLLOKOSA-N 2 1 355.320 3.037 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575221431 505944795 /nfs/dbraw/zinc/94/47/95/505944795.db2.gz UJWNCUKEYWQOAJ-OAHLLOKOSA-N 2 1 355.320 3.037 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363445 497921192 /nfs/dbraw/zinc/92/11/92/497921192.db2.gz MCRCEFMGSIPKQX-MAUKXSAKSA-N 2 1 368.518 3.146 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000292275482 497949976 /nfs/dbraw/zinc/94/99/76/497949976.db2.gz QKTLELRLBIMBIF-FQEVSTJZSA-N 2 1 369.553 3.279 20 0 FGADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519154 505959446 /nfs/dbraw/zinc/95/94/46/505959446.db2.gz QIHFFVRISQNBLR-RTBURBONSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519154 505959447 /nfs/dbraw/zinc/95/94/47/505959447.db2.gz QIHFFVRISQNBLR-RTBURBONSA-N 2 1 354.922 3.100 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(Br)c1 ZINC000578523920 505960553 /nfs/dbraw/zinc/96/05/53/505960553.db2.gz VLQYBRRDMKKGOC-QLFBSQMISA-N 2 1 370.335 3.384 20 0 FGADMP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000581320022 505960592 /nfs/dbraw/zinc/96/05/92/505960592.db2.gz QWJAXFYJIWFYHC-XLIONFOSSA-N 2 1 357.542 3.174 20 0 FGADMP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CCC3(CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000330112682 498025880 /nfs/dbraw/zinc/02/58/80/498025880.db2.gz CEUQHCFCKNSVSW-PKOBYXMFSA-N 2 1 373.545 3.157 20 0 FGADMP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CCC3(CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000330112682 498025884 /nfs/dbraw/zinc/02/58/84/498025884.db2.gz CEUQHCFCKNSVSW-PKOBYXMFSA-N 2 1 373.545 3.157 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000330114583 498027136 /nfs/dbraw/zinc/02/71/36/498027136.db2.gz DZRHUTAHBNCZKZ-JPLJXNOCSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc[nH+]1 ZINC000330114583 498027141 /nfs/dbraw/zinc/02/71/41/498027141.db2.gz DZRHUTAHBNCZKZ-JPLJXNOCSA-N 2 1 373.545 3.013 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000285257373 498035492 /nfs/dbraw/zinc/03/54/92/498035492.db2.gz LXPHBBCHGFQCMJ-KRWDZBQOSA-N 2 1 354.498 3.451 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000296499960 498068124 /nfs/dbraw/zinc/06/81/24/498068124.db2.gz QXYQZPWBAFZZFC-UHFFFAOYSA-N 2 1 372.326 3.096 20 0 FGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(OC)c1OCC(F)F ZINC000289301420 498096856 /nfs/dbraw/zinc/09/68/56/498096856.db2.gz IFXGPDPKRURWTP-UHFFFAOYSA-N 2 1 372.456 3.121 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000572486954 505981500 /nfs/dbraw/zinc/98/15/00/505981500.db2.gz QMLJUVFSONDCEB-WIYYLYMNSA-N 2 1 357.542 3.232 20 0 FGADMP CC(C)C[C@H](CNC(=O)c1csc(C[NH3+])n1)[NH2+][C@@H](C)c1ccccc1 ZINC000578622990 505983534 /nfs/dbraw/zinc/98/35/34/505983534.db2.gz HMOQATBHKWBXOB-GOEBONIOSA-N 2 1 360.527 3.097 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562903 498131206 /nfs/dbraw/zinc/13/12/06/498131206.db2.gz NGVDMVJPGYPIRD-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562903 498131216 /nfs/dbraw/zinc/13/12/16/498131216.db2.gz NGVDMVJPGYPIRD-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562903 498131211 /nfs/dbraw/zinc/13/12/11/498131211.db2.gz NGVDMVJPGYPIRD-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562903 498131221 /nfs/dbraw/zinc/13/12/21/498131221.db2.gz NGVDMVJPGYPIRD-FPOVZHCZSA-N 2 1 354.494 3.070 20 0 FGADMP CC(=O)NCC[N@@H+](Cc1ccsc1)Cc1ccc(-n2ccnc2)cc1C ZINC000572544267 505994029 /nfs/dbraw/zinc/99/40/29/505994029.db2.gz RVQBADADONZVDP-UHFFFAOYSA-N 2 1 368.506 3.381 20 0 FGADMP CC(=O)NCCN(Cc1ccsc1)Cc1ccc(-n2ccnc2)cc1C ZINC000572544267 505994034 /nfs/dbraw/zinc/99/40/34/505994034.db2.gz RVQBADADONZVDP-UHFFFAOYSA-N 2 1 368.506 3.381 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000281454606 498157855 /nfs/dbraw/zinc/15/78/55/498157855.db2.gz LDFRZMYGVWHBCK-SFHVURJKSA-N 2 1 368.481 3.144 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000281454606 498157864 /nfs/dbraw/zinc/15/78/64/498157864.db2.gz LDFRZMYGVWHBCK-SFHVURJKSA-N 2 1 368.481 3.144 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH+]1C)c1ccc(Cl)cc1 ZINC000578660273 505991524 /nfs/dbraw/zinc/99/15/24/505991524.db2.gz YTMOEWUOQUGAOA-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000578660273 505991528 /nfs/dbraw/zinc/99/15/28/505991528.db2.gz YTMOEWUOQUGAOA-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000578660273 505991530 /nfs/dbraw/zinc/99/15/30/505991530.db2.gz YTMOEWUOQUGAOA-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000281517028 498178614 /nfs/dbraw/zinc/17/86/14/498178614.db2.gz HOBXHGJCUMRCGA-RTWAWAEBSA-N 2 1 355.457 3.028 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289686315 498248703 /nfs/dbraw/zinc/24/87/03/498248703.db2.gz ZXRYZPIIIXMHTM-HLRQEUIKSA-N 2 1 351.494 3.412 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000285990250 498260772 /nfs/dbraw/zinc/26/07/72/498260772.db2.gz GZFYWWXVFCHEGJ-ZMSDIMECSA-N 2 1 357.498 3.321 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572594892 506006627 /nfs/dbraw/zinc/00/66/27/506006627.db2.gz ISFDZAKIFZDANY-CEMLEFRQSA-N 2 1 368.521 3.317 20 0 FGADMP FC(F)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000293090779 498264439 /nfs/dbraw/zinc/26/44/39/498264439.db2.gz VRKVJNMJYDQJRE-YQQQUEKLSA-N 2 1 360.452 3.433 20 0 FGADMP FC(F)Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000293090779 498264443 /nfs/dbraw/zinc/26/44/43/498264443.db2.gz VRKVJNMJYDQJRE-YQQQUEKLSA-N 2 1 360.452 3.433 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000365081767 498289344 /nfs/dbraw/zinc/28/93/44/498289344.db2.gz FALNQNLBUQPQAL-RYUDHWBXSA-N 2 1 367.280 3.430 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](COC)c2cccc(Cl)c2)CC1 ZINC000289925183 498355716 /nfs/dbraw/zinc/35/57/16/498355716.db2.gz VJJHMBKNWUAQSW-LJQANCHMSA-N 2 1 353.938 3.035 20 0 FGADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](CCc3ccncc3)CC1)C2 ZINC000365241321 498370032 /nfs/dbraw/zinc/37/00/32/498370032.db2.gz LXIJOUWGDBOXKR-NRFANRHFSA-N 2 1 365.521 3.244 20 0 FGADMP CC(C)[NH2+]CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000569826217 506025991 /nfs/dbraw/zinc/02/59/91/506025991.db2.gz RJHWYSJMMUMGHR-CRAIPNDOSA-N 2 1 371.447 3.203 20 0 FGADMP c1ccc2sc(N3CC[NH+](Cc4ccc5c(c4)C[NH2+]CC5)CC3)nc2c1 ZINC000575928775 506034759 /nfs/dbraw/zinc/03/47/59/506034759.db2.gz ZSULEIDGGFHBNM-UHFFFAOYSA-N 2 1 364.518 3.264 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000297468669 498461177 /nfs/dbraw/zinc/46/11/77/498461177.db2.gz KOSRFEWHVMHREX-SEJPIABJSA-N 2 1 372.557 3.165 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445094 498471223 /nfs/dbraw/zinc/47/12/23/498471223.db2.gz VAGADMGFPHONEQ-SLFFLAALSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445094 498471233 /nfs/dbraw/zinc/47/12/33/498471233.db2.gz VAGADMGFPHONEQ-SLFFLAALSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445094 498471242 /nfs/dbraw/zinc/47/12/42/498471242.db2.gz VAGADMGFPHONEQ-SLFFLAALSA-N 2 1 354.494 3.069 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC12CC2 ZINC000365445094 498471247 /nfs/dbraw/zinc/47/12/47/498471247.db2.gz VAGADMGFPHONEQ-SLFFLAALSA-N 2 1 354.494 3.069 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1)C1CC1 ZINC000581669224 506040813 /nfs/dbraw/zinc/04/08/13/506040813.db2.gz JQFOQPCPURZMOF-GOSISDBHSA-N 2 1 364.493 3.134 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(OC)c1 ZINC000290280504 498494509 /nfs/dbraw/zinc/49/45/09/498494509.db2.gz MDASJEYTBBVVTP-INIZCTEOSA-N 2 1 373.497 3.280 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCOC1 ZINC000581681332 506043724 /nfs/dbraw/zinc/04/37/24/506043724.db2.gz KSKPQHNIMRYIBG-FSSWDIPSSA-N 2 1 372.553 3.320 20 0 FGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297600647 498507025 /nfs/dbraw/zinc/50/70/25/498507025.db2.gz UXKLZTTXIGBGAE-UHFFFAOYSA-N 2 1 361.449 3.158 20 0 FGADMP COCCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000282473365 498525766 /nfs/dbraw/zinc/52/57/66/498525766.db2.gz WLXMWZQAJXOMHX-VQTJNVASSA-N 2 1 352.494 3.120 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)c1nc2ccccc2s1 ZINC000282482403 498529535 /nfs/dbraw/zinc/52/95/35/498529535.db2.gz WXQXDOXALVWMPG-HOTGVXAUSA-N 2 1 360.571 3.404 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000578928008 506053340 /nfs/dbraw/zinc/05/33/40/506053340.db2.gz RRVJNPCIMIEJSM-QUCCMNQESA-N 2 1 360.546 3.160 20 0 FGADMP COc1cc(Br)c(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000290540101 498590296 /nfs/dbraw/zinc/59/02/96/498590296.db2.gz REUHYBSYBZVDBR-SWLSCSKDSA-N 2 1 371.319 3.238 20 0 FGADMP COc1nccnc1CNC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000294109963 498592400 /nfs/dbraw/zinc/59/24/00/498592400.db2.gz CVDHKNUABOLTNN-CXAGYDPISA-N 2 1 364.852 3.060 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809676 506067460 /nfs/dbraw/zinc/06/74/60/506067460.db2.gz PUNPGPMSHAOHLL-MBOZVWFJSA-N 2 1 368.949 3.346 20 0 FGADMP CC[C@H](C)CN(CC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365842706 498666696 /nfs/dbraw/zinc/66/66/96/498666696.db2.gz HHZYTFYBCBNUGF-SFHVURJKSA-N 2 1 366.594 3.260 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363139714 498670587 /nfs/dbraw/zinc/67/05/87/498670587.db2.gz WANCZSGNVGVJFJ-ROUUACIJSA-N 2 1 359.539 3.048 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000363139714 498670595 /nfs/dbraw/zinc/67/05/95/498670595.db2.gz WANCZSGNVGVJFJ-ROUUACIJSA-N 2 1 359.539 3.048 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000303513198 498685149 /nfs/dbraw/zinc/68/51/49/498685149.db2.gz BTTUZKBREWMKHH-UHFFFAOYSA-N 2 1 361.574 3.124 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881716 506074008 /nfs/dbraw/zinc/07/40/08/506074008.db2.gz FNHPDYFFGXFZRD-GJZGRUSLSA-N 2 1 369.431 3.356 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000298233448 498705069 /nfs/dbraw/zinc/70/50/69/498705069.db2.gz BOLYTCDSBBPEIP-UHFFFAOYSA-N 3 1 350.510 3.305 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306683 498754306 /nfs/dbraw/zinc/75/43/06/498754306.db2.gz KFOGHHZEPGLVAC-WMZOPIPTSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306683 498754311 /nfs/dbraw/zinc/75/43/11/498754311.db2.gz KFOGHHZEPGLVAC-WMZOPIPTSA-N 2 1 358.486 3.230 20 0 FGADMP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690832 498760739 /nfs/dbraw/zinc/76/07/39/498760739.db2.gz QJWWSXHKXVYCDD-YADHBBJMSA-N 2 1 368.521 3.155 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363399399 498800758 /nfs/dbraw/zinc/80/07/58/498800758.db2.gz YCPMUMXEYLTDSA-NRFANRHFSA-N 2 1 374.573 3.312 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000332826236 498805138 /nfs/dbraw/zinc/80/51/38/498805138.db2.gz KIIJAUQKLGPSMP-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000366291881 498862335 /nfs/dbraw/zinc/86/23/35/498862335.db2.gz YZFZNKAYZYPVKA-DLBZAZTESA-N 2 1 371.529 3.357 20 0 FGADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)CC2)C1 ZINC000328646860 498888868 /nfs/dbraw/zinc/88/88/68/498888868.db2.gz SVDUXKWXQRMXJG-RMYQPGKMSA-N 2 1 373.545 3.213 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000295046562 498891051 /nfs/dbraw/zinc/89/10/51/498891051.db2.gz OHMYHZSZQVYUAL-CALCHBBNSA-N 2 1 366.933 3.277 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)C[C@@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000295046562 498891059 /nfs/dbraw/zinc/89/10/59/498891059.db2.gz OHMYHZSZQVYUAL-CALCHBBNSA-N 2 1 366.933 3.277 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000295046562 498891067 /nfs/dbraw/zinc/89/10/67/498891067.db2.gz OHMYHZSZQVYUAL-CALCHBBNSA-N 2 1 366.933 3.277 20 0 FGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000287889623 498894099 /nfs/dbraw/zinc/89/40/99/498894099.db2.gz YYDUVTNHRIZBKG-KSZLIROESA-N 2 1 356.432 3.251 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000579186957 506113086 /nfs/dbraw/zinc/11/30/86/506113086.db2.gz SIPAETYRUJBBDL-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H](N[C@H]1CC[N@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467132 498940294 /nfs/dbraw/zinc/94/02/94/498940294.db2.gz BFJCCOSBIXQIGQ-BJLQDIEVSA-N 2 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467132 498940300 /nfs/dbraw/zinc/94/03/00/498940300.db2.gz BFJCCOSBIXQIGQ-BJLQDIEVSA-N 3 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)c1ccccc1O2 ZINC000366467132 498940310 /nfs/dbraw/zinc/94/03/10/498940310.db2.gz BFJCCOSBIXQIGQ-BJLQDIEVSA-N 3 1 355.526 3.191 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271963 506117946 /nfs/dbraw/zinc/11/79/46/506117946.db2.gz MYWKKUDTVFXHAP-DZGCQCFKSA-N 2 1 361.313 3.055 20 0 FGADMP Cc1nnc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C1CC1 ZINC000366596470 498996243 /nfs/dbraw/zinc/99/62/43/498996243.db2.gz XJLJVBMLKMTXNG-UHFFFAOYSA-N 2 1 365.525 3.410 20 0 FGADMP Cc1nnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1C1CC1 ZINC000366596470 498996246 /nfs/dbraw/zinc/99/62/46/498996246.db2.gz XJLJVBMLKMTXNG-UHFFFAOYSA-N 2 1 365.525 3.410 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000363814249 499007300 /nfs/dbraw/zinc/00/73/00/499007300.db2.gz FDQMZXLPEATLIX-FCEUIQTBSA-N 2 1 360.542 3.115 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000284092160 499046638 /nfs/dbraw/zinc/04/66/38/499046638.db2.gz MARFVNBHECRQIK-QHCPKHFHSA-N 2 1 371.569 3.228 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280249 499081522 /nfs/dbraw/zinc/08/15/22/499081522.db2.gz XXAPKYVEQZQRMW-PKTZIBPZSA-N 2 1 371.569 3.085 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280239 499081794 /nfs/dbraw/zinc/08/17/94/499081794.db2.gz XXAPKYVEQZQRMW-DHIUTWEWSA-N 2 1 371.569 3.085 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000284329257 499090100 /nfs/dbraw/zinc/09/01/00/499090100.db2.gz LJXKWVBXNFCHJU-FXAWDEMLSA-N 2 1 362.477 3.459 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@H](O)c2ccc(C)cc2)[C@@H]1c1cnn(C)c1 ZINC000372531514 499140948 /nfs/dbraw/zinc/14/09/48/499140948.db2.gz FKEJIBLIDLOONR-ILWGZMRPSA-N 2 1 370.541 3.167 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000367209841 499161789 /nfs/dbraw/zinc/16/17/89/499161789.db2.gz WCRXLEDXIHKKTR-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000367209841 499161792 /nfs/dbraw/zinc/16/17/92/499161792.db2.gz WCRXLEDXIHKKTR-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)Nc2ncccc2C)C1 ZINC000367209841 499161795 /nfs/dbraw/zinc/16/17/95/499161795.db2.gz WCRXLEDXIHKKTR-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209987 499162329 /nfs/dbraw/zinc/16/23/29/499162329.db2.gz YLAALSIWICMWBU-IFXJQAMLSA-N 2 1 350.453 3.195 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000367259981 499169981 /nfs/dbraw/zinc/16/99/81/499169981.db2.gz YXAWBNHMPFLAAV-NRFANRHFSA-N 2 1 363.590 3.469 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H](O)CC(F)(F)F)CC2)nc(C(C)C)n1 ZINC000372750553 499170213 /nfs/dbraw/zinc/17/02/13/499170213.db2.gz NIBKJOJKOCROOJ-HNNXBMFYSA-N 2 1 374.451 3.122 20 0 FGADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785848 499175213 /nfs/dbraw/zinc/17/52/13/499175213.db2.gz QWBLGILOQQECQR-QIJUGHKUSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785848 499175214 /nfs/dbraw/zinc/17/52/14/499175214.db2.gz QWBLGILOQQECQR-QIJUGHKUSA-N 2 1 357.542 3.134 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000370113936 499182574 /nfs/dbraw/zinc/18/25/74/499182574.db2.gz SMKSKEFGQHYPBI-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CCCc3cnccc3C)CC2)nc(C)[nH+]1 ZINC000367356603 499187548 /nfs/dbraw/zinc/18/75/48/499187548.db2.gz OMSUCVVDDVJGOP-UHFFFAOYSA-N 2 1 353.514 3.330 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CCCc3cnccc3C)CC2)nc(C)[nH+]1 ZINC000367356603 499187550 /nfs/dbraw/zinc/18/75/50/499187550.db2.gz OMSUCVVDDVJGOP-UHFFFAOYSA-N 2 1 353.514 3.330 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCN([C@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374460 499190360 /nfs/dbraw/zinc/19/03/60/499190360.db2.gz IOJOCDKWOCDODN-SFTDATJTSA-N 2 1 355.526 3.127 20 0 FGADMP CCOc1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1OC ZINC000367433615 499198441 /nfs/dbraw/zinc/19/84/41/499198441.db2.gz ZGZAFRLSEXSSAV-UHFFFAOYSA-N 2 1 362.514 3.169 20 0 FGADMP CCOc1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1OC ZINC000367433615 499198442 /nfs/dbraw/zinc/19/84/42/499198442.db2.gz ZGZAFRLSEXSSAV-UHFFFAOYSA-N 2 1 362.514 3.169 20 0 FGADMP C[C@H](CCNC(=O)N1CCCC12CC[NH+](C)CC2)[N@@H+](C)Cc1ccccc1 ZINC000367467499 499202860 /nfs/dbraw/zinc/20/28/60/499202860.db2.gz PTFUJLSAJBUGMR-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP COc1ccc(Br)cc1C[NH2+]Cc1cnc2n1CCCC2 ZINC000370263214 499203363 /nfs/dbraw/zinc/20/33/63/499203363.db2.gz VQYQWAVGCCUHGQ-UHFFFAOYSA-N 2 1 350.260 3.280 20 0 FGADMP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1cccc(C)c1 ZINC000367619451 499218473 /nfs/dbraw/zinc/21/84/73/499218473.db2.gz WLSUIVLKXLMYRA-OAQYLSRUSA-N 2 1 369.557 3.420 20 0 FGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236050 /nfs/dbraw/zinc/23/60/50/499236050.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236052 /nfs/dbraw/zinc/23/60/52/499236052.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236053 /nfs/dbraw/zinc/23/60/53/499236053.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236055 /nfs/dbraw/zinc/23/60/55/499236055.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620191 499236056 /nfs/dbraw/zinc/23/60/56/499236056.db2.gz MHIMCYVKNPKATC-UDDWMFPDSA-N 2 1 359.558 3.398 20 0 FGADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367932437 499246985 /nfs/dbraw/zinc/24/69/85/499246985.db2.gz RZXHESKHUDHUEN-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368297317 499283089 /nfs/dbraw/zinc/28/30/89/499283089.db2.gz WJPRBGZNYOJMQK-OWSLCNJRSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1ccc(F)cc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371083530 499287128 /nfs/dbraw/zinc/28/71/28/499287128.db2.gz CKJNFHYGPLPBJS-UHFFFAOYSA-N 2 1 361.505 3.060 20 0 FGADMP C[C@@H]1C[C@@H](C)CCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371094075 499287789 /nfs/dbraw/zinc/28/77/89/499287789.db2.gz NRDKPNUTVPEPRN-ZWKOTPCHSA-N 2 1 364.578 3.013 20 0 FGADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380949 499290694 /nfs/dbraw/zinc/29/06/94/499290694.db2.gz QREJAFOLQBYEKQ-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1cccc(NC2CC[NH+](Cc3cn(C)nc3-c3ccncc3)CC2)[nH+]1 ZINC000371398749 499320741 /nfs/dbraw/zinc/32/07/41/499320741.db2.gz QSNJCUYQWPVEES-UHFFFAOYSA-N 2 1 362.481 3.262 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC[N@H+]1C ZINC000368687122 499321779 /nfs/dbraw/zinc/32/17/79/499321779.db2.gz IORBPWQTAAVGBL-IEIRFRATSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC[NH+]1C ZINC000368687122 499321780 /nfs/dbraw/zinc/32/17/80/499321780.db2.gz IORBPWQTAAVGBL-IEIRFRATSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC[NH+]1C ZINC000368687122 499321782 /nfs/dbraw/zinc/32/17/82/499321782.db2.gz IORBPWQTAAVGBL-IEIRFRATSA-N 2 1 369.553 3.231 20 0 FGADMP C[N@H+](Cc1ccc(N2CCCC2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368814456 499335576 /nfs/dbraw/zinc/33/55/76/499335576.db2.gz SBZJSJBODYRKHN-UHFFFAOYSA-N 2 1 365.525 3.425 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@H]1c1ccccc1 ZINC000371520632 499337277 /nfs/dbraw/zinc/33/72/77/499337277.db2.gz VCSVBLSFLNPOFK-JTHBVZDNSA-N 2 1 364.537 3.329 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722121 499358865 /nfs/dbraw/zinc/35/88/65/499358865.db2.gz CSOQWAJVXJQZFL-SIKLNZKXSA-N 2 1 361.493 3.265 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000371733126 499359898 /nfs/dbraw/zinc/35/98/98/499359898.db2.gz SKAOYRQIUULEBK-HXUWFJFHSA-N 2 1 368.525 3.077 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000371733126 499359901 /nfs/dbraw/zinc/35/99/01/499359901.db2.gz SKAOYRQIUULEBK-HXUWFJFHSA-N 2 1 368.525 3.077 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000371762620 499362868 /nfs/dbraw/zinc/36/28/68/499362868.db2.gz MMGMBTPDIPGFSP-IEBWSBKVSA-N 2 1 357.523 3.233 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N(C)C1CCCC1 ZINC000369214824 499378189 /nfs/dbraw/zinc/37/81/89/499378189.db2.gz MBADTLATNXNQIG-UHFFFAOYSA-N 2 1 364.578 3.109 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2N2CCOCC2)cc1 ZINC000372060894 499394595 /nfs/dbraw/zinc/39/45/95/499394595.db2.gz MXWYJXHRRLAVTB-WEYGHZABSA-N 2 1 368.525 3.332 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066027 499395247 /nfs/dbraw/zinc/39/52/47/499395247.db2.gz VHSRFKBZAGFBCL-NJDAHSKKSA-N 3 1 351.579 3.122 20 0 FGADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066027 499395249 /nfs/dbraw/zinc/39/52/49/499395249.db2.gz VHSRFKBZAGFBCL-NJDAHSKKSA-N 2 1 351.579 3.122 20 0 FGADMP CC[C@H]1[C@@H](C)CCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372320770 499420411 /nfs/dbraw/zinc/42/04/11/499420411.db2.gz OAYNMVSPJXYZEK-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348721 499423849 /nfs/dbraw/zinc/42/38/49/499423849.db2.gz QSRVMQPSTUMWDZ-AZUAARDMSA-N 2 1 366.509 3.219 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424840 499433106 /nfs/dbraw/zinc/43/31/06/499433106.db2.gz IMVIRSMFJMGYQC-RTWAWAEBSA-N 2 1 361.574 3.364 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000373387949 499466894 /nfs/dbraw/zinc/46/68/94/499466894.db2.gz MMXBMWYJHWGKHA-HNNXBMFYSA-N 2 1 361.873 3.408 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000373387949 499466895 /nfs/dbraw/zinc/46/68/95/499466895.db2.gz MMXBMWYJHWGKHA-HNNXBMFYSA-N 2 1 361.873 3.408 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1coc(-c2cccc(F)c2)n1 ZINC000373447983 499470206 /nfs/dbraw/zinc/47/02/06/499470206.db2.gz LYQOBJNZOQZMRQ-XPGWFJOJSA-N 2 1 373.472 3.460 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CCC(F)(F)C1 ZINC000373673200 499482934 /nfs/dbraw/zinc/48/29/34/499482934.db2.gz RBLFQPQAZVHZTE-KRWDZBQOSA-N 2 1 371.516 3.077 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000378431810 499516156 /nfs/dbraw/zinc/51/61/56/499516156.db2.gz OUJHPASBIKXHNQ-NRFANRHFSA-N 2 1 367.541 3.111 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000378494613 499524142 /nfs/dbraw/zinc/52/41/42/499524142.db2.gz KTSOKIZMTIYZTP-YNWKUBOOSA-N 2 1 352.563 3.449 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000378494613 499524144 /nfs/dbraw/zinc/52/41/44/499524144.db2.gz KTSOKIZMTIYZTP-YNWKUBOOSA-N 2 1 352.563 3.449 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CCC(=O)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000378521131 499527476 /nfs/dbraw/zinc/52/74/76/499527476.db2.gz UGSMKARRAJVVMC-UHFFFAOYSA-N 2 1 370.472 3.406 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CCC(=O)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000378521131 499527478 /nfs/dbraw/zinc/52/74/78/499527478.db2.gz UGSMKARRAJVVMC-UHFFFAOYSA-N 2 1 370.472 3.406 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000375520560 499528142 /nfs/dbraw/zinc/52/81/42/499528142.db2.gz BCUIZVWDFXTKQP-ZWKOTPCHSA-N 2 1 374.529 3.394 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc3ccccc3)cc12 ZINC000379618577 499542163 /nfs/dbraw/zinc/54/21/63/499542163.db2.gz AIQODCZROBAIOM-MRXNPFEDSA-N 2 1 351.498 3.277 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc3ccccc3)cc12 ZINC000379618577 499542164 /nfs/dbraw/zinc/54/21/64/499542164.db2.gz AIQODCZROBAIOM-MRXNPFEDSA-N 2 1 351.498 3.277 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643766 499542201 /nfs/dbraw/zinc/54/22/01/499542201.db2.gz GBULNRXBMDNLFF-GIVPXCGWSA-N 2 1 354.494 3.069 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643766 499542202 /nfs/dbraw/zinc/54/22/02/499542202.db2.gz GBULNRXBMDNLFF-GIVPXCGWSA-N 2 1 354.494 3.069 20 0 FGADMP COc1cc(C[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000379623249 499542277 /nfs/dbraw/zinc/54/22/77/499542277.db2.gz IAKOYBRVYBNUKK-INIZCTEOSA-N 2 1 358.482 3.410 20 0 FGADMP COc1cc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)cc(OC)c1O ZINC000379623249 499542278 /nfs/dbraw/zinc/54/22/78/499542278.db2.gz IAKOYBRVYBNUKK-INIZCTEOSA-N 2 1 358.482 3.410 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676788 499542633 /nfs/dbraw/zinc/54/26/33/499542633.db2.gz AWNBERMDCQDTBD-UIFIKXQLSA-N 2 1 357.542 3.453 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000382765297 499546181 /nfs/dbraw/zinc/54/61/81/499546181.db2.gz RSCHOORJDWIVSN-LJQANCHMSA-N 2 1 365.521 3.185 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000397965997 499565569 /nfs/dbraw/zinc/56/55/69/499565569.db2.gz GXUDZLJECPARRU-NQSCKRDGSA-N 2 1 372.484 3.066 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000397965996 499565634 /nfs/dbraw/zinc/56/56/34/499565634.db2.gz GXUDZLJECPARRU-AGHHOFFYSA-N 2 1 372.484 3.066 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057053 499565986 /nfs/dbraw/zinc/56/59/86/499565986.db2.gz ATYFRFMNDCNMAA-WIYYLYMNSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057053 499565988 /nfs/dbraw/zinc/56/59/88/499565988.db2.gz ATYFRFMNDCNMAA-WIYYLYMNSA-N 2 1 357.542 3.326 20 0 FGADMP CN(C)c1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000376113606 499584037 /nfs/dbraw/zinc/58/40/37/499584037.db2.gz LEYKYWCXGFFFJC-OAHLLOKOSA-N 2 1 367.522 3.425 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1)C1CC1 ZINC000409451749 499597995 /nfs/dbraw/zinc/59/79/95/499597995.db2.gz DFJAEDAOARHMRV-IBGZPJMESA-N 2 1 355.482 3.297 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1)C1CC1 ZINC000409451749 499597997 /nfs/dbraw/zinc/59/79/97/499597997.db2.gz DFJAEDAOARHMRV-IBGZPJMESA-N 2 1 355.482 3.297 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)Cc1ccccc1 ZINC000409533772 499604177 /nfs/dbraw/zinc/60/41/77/499604177.db2.gz XZDIWFLSYYJOLF-WOJBJXKFSA-N 2 1 373.928 3.232 20 0 FGADMP C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377334783 499680835 /nfs/dbraw/zinc/68/08/35/499680835.db2.gz DCVPNJZDAPNHGB-MNEFBYGVSA-N 2 1 352.482 3.462 20 0 FGADMP C[NH+](C)[C@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000377392032 499686174 /nfs/dbraw/zinc/68/61/74/499686174.db2.gz NVARBVJFIZKFDZ-VXKWHMMOSA-N 4 1 366.638 3.379 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)cc(OC)c1O ZINC000377617286 499711063 /nfs/dbraw/zinc/71/10/63/499711063.db2.gz AJNNIDHAXVMRSC-FXAWDEMLSA-N 2 1 356.466 3.192 20 0 FGADMP CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411218335 499712750 /nfs/dbraw/zinc/71/27/50/499712750.db2.gz IARCFFPEWHYVOL-OAQYLSRUSA-N 2 1 357.542 3.411 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000377690036 499720343 /nfs/dbraw/zinc/72/03/43/499720343.db2.gz CLCRETQNDKWAOF-QRWLVFNGSA-N 2 1 365.481 3.410 20 0 FGADMP Cc1ccc2cc(C[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377701400 499722212 /nfs/dbraw/zinc/72/22/12/499722212.db2.gz OZFUCHAPPFYNIA-NRFANRHFSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1ccc2cc(C[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377701400 499722214 /nfs/dbraw/zinc/72/22/14/499722214.db2.gz OZFUCHAPPFYNIA-NRFANRHFSA-N 2 1 352.526 3.145 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000377769729 499731083 /nfs/dbraw/zinc/73/10/83/499731083.db2.gz CKUDINDUJWMMPB-UVUJQTEASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769729 499731084 /nfs/dbraw/zinc/73/10/84/499731084.db2.gz CKUDINDUJWMMPB-UVUJQTEASA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000377769729 499731085 /nfs/dbraw/zinc/73/10/85/499731085.db2.gz CKUDINDUJWMMPB-UVUJQTEASA-N 2 1 369.553 3.372 20 0 FGADMP O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411060 499736777 /nfs/dbraw/zinc/73/67/77/499736777.db2.gz FOYGWELRLGAZAN-LEWJYISDSA-N 2 1 355.526 3.163 20 0 FGADMP Cc1ccc2ncc(C[N@H+]3CCN(C4CC[NH+](C)CC4)[C@H](C)C3)cc2c1 ZINC000411435563 499739888 /nfs/dbraw/zinc/73/98/88/499739888.db2.gz ZTNGHOFYTNRBOH-GOSISDBHSA-N 2 1 352.526 3.144 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000411455691 499742816 /nfs/dbraw/zinc/74/28/16/499742816.db2.gz YWSHDGOJKZTBKS-GMQQQROESA-N 2 1 358.526 3.133 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000411455691 499742817 /nfs/dbraw/zinc/74/28/17/499742817.db2.gz YWSHDGOJKZTBKS-GMQQQROESA-N 2 1 358.526 3.133 20 0 FGADMP C[C@@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377870043 499743748 /nfs/dbraw/zinc/74/37/48/499743748.db2.gz SADVVSVNHCEZSP-YLJYHZDGSA-N 2 1 374.960 3.253 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000378070887 499757275 /nfs/dbraw/zinc/75/72/75/499757275.db2.gz FFYDXAGYLLEUIB-FQEVSTJZSA-N 2 1 370.472 3.310 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000378070887 499757276 /nfs/dbraw/zinc/75/72/76/499757276.db2.gz FFYDXAGYLLEUIB-FQEVSTJZSA-N 2 1 370.472 3.310 20 0 FGADMP O=C([C@@H]1CCCCN1Cc1ccc(F)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000378070887 499757277 /nfs/dbraw/zinc/75/72/77/499757277.db2.gz FFYDXAGYLLEUIB-FQEVSTJZSA-N 2 1 370.472 3.310 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCCOC2)O1 ZINC000411665719 499775040 /nfs/dbraw/zinc/77/50/40/499775040.db2.gz BHMGEKKTYADWIG-UGKGYDQZSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414294618 499775209 /nfs/dbraw/zinc/77/52/09/499775209.db2.gz WTJOAGGWBNKPSC-KRWDZBQOSA-N 2 1 355.530 3.008 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1C(F)(F)F ZINC000414348861 499780030 /nfs/dbraw/zinc/78/00/30/499780030.db2.gz SETOCPWUAPHZGX-QGZVFWFLSA-N 2 1 371.447 3.046 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)ccc1C(F)(F)F ZINC000414348861 499780032 /nfs/dbraw/zinc/78/00/32/499780032.db2.gz SETOCPWUAPHZGX-QGZVFWFLSA-N 2 1 371.447 3.046 20 0 FGADMP CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414740634 499825326 /nfs/dbraw/zinc/82/53/26/499825326.db2.gz DHHIPABJIHCTBH-FIKGOQFSSA-N 2 1 354.494 3.292 20 0 FGADMP COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759140 499827372 /nfs/dbraw/zinc/82/73/72/499827372.db2.gz NWPXCTAPSHPDRS-UKRRQHHQSA-N 2 1 358.404 3.069 20 0 FGADMP COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414759140 499827374 /nfs/dbraw/zinc/82/73/74/499827374.db2.gz NWPXCTAPSHPDRS-UKRRQHHQSA-N 2 1 358.404 3.069 20 0 FGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414778555 499830095 /nfs/dbraw/zinc/83/00/95/499830095.db2.gz JBPFWDCOULUABX-KBPBESRZSA-N 2 1 353.304 3.279 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC12CCOCC2 ZINC000414789732 499831246 /nfs/dbraw/zinc/83/12/46/499831246.db2.gz YPENBKIILMENFV-LJQANCHMSA-N 2 1 355.457 3.075 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414826932 499835066 /nfs/dbraw/zinc/83/50/66/499835066.db2.gz KBQAKTOQPRUSIT-NSHDSACASA-N 2 1 363.246 3.448 20 0 FGADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCC1 ZINC000414887122 499841467 /nfs/dbraw/zinc/84/14/67/499841467.db2.gz YSFGMNVLOWCYNC-UHFFFAOYSA-N 2 1 353.182 3.319 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000414904018 499843371 /nfs/dbraw/zinc/84/33/71/499843371.db2.gz JKCLVMXUAANVGU-UHFFFAOYSA-N 2 1 355.486 3.271 20 0 FGADMP C[C@H]([NH3+])c1ccc(NC(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)cc1 ZINC000414965157 499849611 /nfs/dbraw/zinc/84/96/11/499849611.db2.gz NDUYGPIMLPCWLF-INIZCTEOSA-N 2 1 368.481 3.225 20 0 FGADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)o1 ZINC000415010992 499854775 /nfs/dbraw/zinc/85/47/75/499854775.db2.gz VMQYATGJUZPVLB-MAUKXSAKSA-N 2 1 360.429 3.078 20 0 FGADMP Cc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000415046613 499857925 /nfs/dbraw/zinc/85/79/25/499857925.db2.gz XPVNWLUPICWOBC-SGRGSNTQSA-N 2 1 358.489 3.464 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1OC ZINC000415081369 499861611 /nfs/dbraw/zinc/86/16/11/499861611.db2.gz KJZUVRVNGMWXFX-MOPGFXCFSA-N 2 1 370.493 3.338 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000415112543 499865104 /nfs/dbraw/zinc/86/51/04/499865104.db2.gz SJVKUELMJKOWEG-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000415112925 499865444 /nfs/dbraw/zinc/86/54/44/499865444.db2.gz SUQIRHLGEOLPQQ-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000415116370 499865684 /nfs/dbraw/zinc/86/56/84/499865684.db2.gz XXCOSRQNFGWJAP-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000415134907 499868809 /nfs/dbraw/zinc/86/88/09/499868809.db2.gz WIJCRPSKXRBEQH-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)N2CC[C@@H]([NH3+])C2)cc1)C[C@H]1CCCCO1 ZINC000415413988 499892311 /nfs/dbraw/zinc/89/23/11/499892311.db2.gz ZHYRQFIMSHCUHJ-UYAOXDASSA-N 2 1 374.529 3.031 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415910073 499927461 /nfs/dbraw/zinc/92/74/61/499927461.db2.gz AVNFCQBLWZYJSI-UWJYYQICSA-N 2 1 366.509 3.438 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@@H]21 ZINC000415960580 499933717 /nfs/dbraw/zinc/93/37/17/499933717.db2.gz QIIHHJOFAVGVIL-BBRMVZONSA-N 2 1 370.419 3.112 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415964985 499934718 /nfs/dbraw/zinc/93/47/18/499934718.db2.gz YXSXQGJYKOQHPM-VXGBXAGGSA-N 2 1 358.408 3.111 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000415972586 499935616 /nfs/dbraw/zinc/93/56/16/499935616.db2.gz NCBWDZGHBILJHY-FQEVSTJZSA-N 2 1 352.482 3.192 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976867 499936199 /nfs/dbraw/zinc/93/61/99/499936199.db2.gz VYDSXSHVZHDXKS-CHWSQXEVSA-N 2 1 372.435 3.406 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417103366 499973521 /nfs/dbraw/zinc/97/35/21/499973521.db2.gz DAQCPBOGDGEBGV-UTKZUKDTSA-N 2 1 366.509 3.170 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000417118804 499977161 /nfs/dbraw/zinc/97/71/61/499977161.db2.gz SFYOHGAEZNSZFF-HUUCEWRRSA-N 2 1 372.538 3.014 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000417118804 499977164 /nfs/dbraw/zinc/97/71/64/499977164.db2.gz SFYOHGAEZNSZFF-HUUCEWRRSA-N 2 1 372.538 3.014 20 0 FGADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC[NH2+]2)cc1 ZINC000570440497 506168507 /nfs/dbraw/zinc/16/85/07/506168507.db2.gz USTLSFMMSPTSGY-YRXWBPOGSA-N 2 1 368.481 3.250 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000425000296 499988608 /nfs/dbraw/zinc/98/86/08/499988608.db2.gz BCGKYAXYSZVJOL-FCHUYYIVSA-N 2 1 363.505 3.095 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032857 499988945 /nfs/dbraw/zinc/98/89/45/499988945.db2.gz XXSLJDJJNRHJQW-MBSDFSHPSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032857 499988946 /nfs/dbraw/zinc/98/89/46/499988946.db2.gz XXSLJDJJNRHJQW-MBSDFSHPSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032857 499988948 /nfs/dbraw/zinc/98/89/48/499988948.db2.gz XXSLJDJJNRHJQW-MBSDFSHPSA-N 2 1 363.505 3.183 20 0 FGADMP Fc1ccc([C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CCCC2)cc1 ZINC000573316784 506169833 /nfs/dbraw/zinc/16/98/33/506169833.db2.gz CXTDLFSQTNUKSV-IBGZPJMESA-N 2 1 357.477 3.432 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+](C2CCC2)C2CCC2)CC1 ZINC000429127518 500008867 /nfs/dbraw/zinc/00/88/67/500008867.db2.gz CJHCQQQGKIHHAR-GOSISDBHSA-N 2 1 355.526 3.299 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133246 500009856 /nfs/dbraw/zinc/00/98/56/500009856.db2.gz XYPYAFILLNWINE-GBESFXJTSA-N 2 1 364.917 3.403 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133246 500009858 /nfs/dbraw/zinc/00/98/58/500009858.db2.gz XYPYAFILLNWINE-GBESFXJTSA-N 2 1 364.917 3.403 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133246 500009861 /nfs/dbraw/zinc/00/98/61/500009861.db2.gz XYPYAFILLNWINE-GBESFXJTSA-N 2 1 364.917 3.403 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000429237326 500029600 /nfs/dbraw/zinc/02/96/00/500029600.db2.gz KRCSTNXYDPNCCH-INIZCTEOSA-N 2 1 358.486 3.193 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1OC ZINC000429237326 500029604 /nfs/dbraw/zinc/02/96/04/500029604.db2.gz KRCSTNXYDPNCCH-INIZCTEOSA-N 2 1 358.486 3.193 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000429239525 500030763 /nfs/dbraw/zinc/03/07/63/500030763.db2.gz QXDHARLSIPWTHK-FQEVSTJZSA-N 2 1 368.525 3.351 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H]1CCCc2ccccc21 ZINC000429239525 500030767 /nfs/dbraw/zinc/03/07/67/500030767.db2.gz QXDHARLSIPWTHK-FQEVSTJZSA-N 2 1 368.525 3.351 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399810 500070299 /nfs/dbraw/zinc/07/02/99/500070299.db2.gz XNDDCDFDSAFTDJ-SUMWQHHRSA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399810 500070302 /nfs/dbraw/zinc/07/03/02/500070302.db2.gz XNDDCDFDSAFTDJ-SUMWQHHRSA-N 2 1 367.331 3.117 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000429515572 500092179 /nfs/dbraw/zinc/09/21/79/500092179.db2.gz BSCVZLOQSCOCLF-UWJYYQICSA-N 2 1 351.494 3.235 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537156 500100604 /nfs/dbraw/zinc/10/06/04/500100604.db2.gz CPKXFPHIKWNIOF-YLJYHZDGSA-N 2 1 360.546 3.229 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555235 500101387 /nfs/dbraw/zinc/10/13/87/500101387.db2.gz VVICAZIXGQWXGF-KBPBESRZSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555235 500101393 /nfs/dbraw/zinc/10/13/93/500101393.db2.gz VVICAZIXGQWXGF-KBPBESRZSA-N 2 1 361.313 3.149 20 0 FGADMP OCC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696697 500124990 /nfs/dbraw/zinc/12/49/90/500124990.db2.gz HCOSQYNQEFJHSW-VXKWHMMOSA-N 2 1 360.542 3.198 20 0 FGADMP OCC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696697 500124996 /nfs/dbraw/zinc/12/49/96/500124996.db2.gz HCOSQYNQEFJHSW-VXKWHMMOSA-N 2 1 360.542 3.198 20 0 FGADMP CC1(C)C[C@H](c2ccccc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000425546246 500140728 /nfs/dbraw/zinc/14/07/28/500140728.db2.gz SZESDOHBTFOTTJ-HXUWFJFHSA-N 2 1 355.526 3.203 20 0 FGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000414066176 500142804 /nfs/dbraw/zinc/14/28/04/500142804.db2.gz HTIIQROURVQDST-KFWWJZLASA-N 2 1 353.532 3.338 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1csc(-c2ccccc2)n1 ZINC000414122140 500159389 /nfs/dbraw/zinc/15/93/89/500159389.db2.gz AXNHOJOWLKHPGN-MRXNPFEDSA-N 2 1 358.555 3.487 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416972861 500171525 /nfs/dbraw/zinc/17/15/25/500171525.db2.gz IUPTYJOIABUACO-QUCCMNQESA-N 2 1 372.557 3.331 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416983526 500175279 /nfs/dbraw/zinc/17/52/79/500175279.db2.gz XARAZSFXORQLJI-LAUBAEHRSA-N 2 1 370.541 3.097 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000417868014 500187589 /nfs/dbraw/zinc/18/75/89/500187589.db2.gz CKSLJLYXVAVORG-QFIPXVFZSA-N 2 1 374.573 3.498 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000417896076 500194289 /nfs/dbraw/zinc/19/42/89/500194289.db2.gz PBVFGBQCCKHAHY-JYRKZWEQSA-N 2 1 374.573 3.158 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417935569 500200719 /nfs/dbraw/zinc/20/07/19/500200719.db2.gz ZTAXVFXDINNKLP-HBFSDRIKSA-N 2 1 360.546 3.104 20 0 FGADMP C[N@@H+](CCCOCc1ccccc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425982847 500220855 /nfs/dbraw/zinc/22/08/55/500220855.db2.gz AHMXFGDVOWRNSJ-QHCPKHFHSA-N 2 1 368.521 3.162 20 0 FGADMP C[N@H+](CCCOCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982847 500220858 /nfs/dbraw/zinc/22/08/58/500220858.db2.gz AHMXFGDVOWRNSJ-QHCPKHFHSA-N 2 1 368.521 3.162 20 0 FGADMP C[N@@H+](CCCOCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425982847 500220861 /nfs/dbraw/zinc/22/08/61/500220861.db2.gz AHMXFGDVOWRNSJ-QHCPKHFHSA-N 2 1 368.521 3.162 20 0 FGADMP C[NH+](CCCOCc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425982847 500220863 /nfs/dbraw/zinc/22/08/63/500220863.db2.gz AHMXFGDVOWRNSJ-QHCPKHFHSA-N 2 1 368.521 3.162 20 0 FGADMP C[NH+](CCCOCc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425982847 500220865 /nfs/dbraw/zinc/22/08/65/500220865.db2.gz AHMXFGDVOWRNSJ-QHCPKHFHSA-N 2 1 368.521 3.162 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000425995825 500222773 /nfs/dbraw/zinc/22/27/73/500222773.db2.gz NDPWUNGMYPTQGN-UHFFFAOYSA-N 2 1 368.525 3.478 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(Oc2cnccn2)CC1 ZINC000425995825 500222774 /nfs/dbraw/zinc/22/27/74/500222774.db2.gz NDPWUNGMYPTQGN-UHFFFAOYSA-N 2 1 368.525 3.478 20 0 FGADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cc(C)nn2C)cc1 ZINC000418065640 500224538 /nfs/dbraw/zinc/22/45/38/500224538.db2.gz KJSCEKCQRDCEIJ-UHFFFAOYSA-N 2 1 367.497 3.416 20 0 FGADMP CCOc1ccc(CN(CCCn2ccnc2)Cc2cc(C)nn2C)cc1 ZINC000418065640 500224540 /nfs/dbraw/zinc/22/45/40/500224540.db2.gz KJSCEKCQRDCEIJ-UHFFFAOYSA-N 2 1 367.497 3.416 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000579474976 506183419 /nfs/dbraw/zinc/18/34/19/506183419.db2.gz YXUJUPXUNIRJDY-RRQGHBQHSA-N 2 1 370.324 3.011 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418148683 500237472 /nfs/dbraw/zinc/23/74/72/500237472.db2.gz ACQUOAWRGBBRAP-DFQSSKMNSA-N 2 1 372.557 3.198 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247635 500240786 /nfs/dbraw/zinc/24/07/86/500240786.db2.gz XJLPULCYABDEMQ-WBYGSUFKSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430547185 500252616 /nfs/dbraw/zinc/25/26/16/500252616.db2.gz UIFRJQYUISZNPV-KRWDZBQOSA-N 2 1 353.510 3.197 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430547185 500252618 /nfs/dbraw/zinc/25/26/18/500252618.db2.gz UIFRJQYUISZNPV-KRWDZBQOSA-N 2 1 353.510 3.197 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418233514 500253644 /nfs/dbraw/zinc/25/36/44/500253644.db2.gz ISFXEAZSWPJCAC-ICSRJNTNSA-N 2 1 360.546 3.105 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1 ZINC000430560691 500255095 /nfs/dbraw/zinc/25/50/95/500255095.db2.gz XHCLYRHDRJEKHV-OAHLLOKOSA-N 2 1 356.308 3.083 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]([NH3+])c2ccccc2)CCC1 ZINC000418246806 500255159 /nfs/dbraw/zinc/25/51/59/500255159.db2.gz QDBIUPAKCNUWNO-FQEVSTJZSA-N 2 1 366.509 3.040 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430610088 500261590 /nfs/dbraw/zinc/26/15/90/500261590.db2.gz JTBAEHNQTHEYAR-YLJYHZDGSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000430610088 500261592 /nfs/dbraw/zinc/26/15/92/500261592.db2.gz JTBAEHNQTHEYAR-YLJYHZDGSA-N 2 1 357.542 3.318 20 0 FGADMP C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418340400 500264677 /nfs/dbraw/zinc/26/46/77/500264677.db2.gz LHGXVSJSUHVAIU-WSTZPKSXSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C[C@H]1C ZINC000418337983 500264779 /nfs/dbraw/zinc/26/47/79/500264779.db2.gz YQOWSZSZBOXFGQ-UXPWSPDFSA-N 2 1 360.546 3.324 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000418347544 500266114 /nfs/dbraw/zinc/26/61/14/500266114.db2.gz QNDMAYDYEPLLFJ-RXVVDRJESA-N 2 1 372.557 3.025 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000418379465 500270106 /nfs/dbraw/zinc/27/01/06/500270106.db2.gz KNCYDHCBICJOFN-QWFCFKBJSA-N 2 1 364.578 3.190 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418453772 500278625 /nfs/dbraw/zinc/27/86/25/500278625.db2.gz ZLSSVTGNOLYCBT-RLLQIKCJSA-N 2 1 360.546 3.198 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418456960 500278859 /nfs/dbraw/zinc/27/88/59/500278859.db2.gz DEQYNNLALYGQHD-NJDAHSKKSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000418514869 500286597 /nfs/dbraw/zinc/28/65/97/500286597.db2.gz HVGMXXMHKUJQAW-SFHVURJKSA-N 2 1 364.578 3.062 20 0 FGADMP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418512979 500286746 /nfs/dbraw/zinc/28/67/46/500286746.db2.gz FOMPYCRHWDAWDO-RCZSKKKRSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CC[NH2+]CC1 ZINC000430796369 500286921 /nfs/dbraw/zinc/28/69/21/500286921.db2.gz KICJVVBWNWPGPK-KZNAEPCWSA-N 2 1 373.541 3.260 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721864 500289706 /nfs/dbraw/zinc/28/97/06/500289706.db2.gz WFDBEUMCWQOURP-BXXSPATCSA-N 3 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721864 500289707 /nfs/dbraw/zinc/28/97/07/500289707.db2.gz WFDBEUMCWQOURP-BXXSPATCSA-N 2 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721864 500289711 /nfs/dbraw/zinc/28/97/11/500289711.db2.gz WFDBEUMCWQOURP-BXXSPATCSA-N 2 1 355.570 3.451 20 0 FGADMP OC1CC[NH+](Cc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000422746964 500293941 /nfs/dbraw/zinc/29/39/41/500293941.db2.gz XSPXGTPYSXPREL-RJGXRXQPSA-N 2 1 371.569 3.044 20 0 FGADMP COc1ccc([C@H](NCC[N@@H+](C)Cc2ccccc2)[C@H]2CCC[NH2+]2)cc1 ZINC000422769127 500295776 /nfs/dbraw/zinc/29/57/76/500295776.db2.gz UMOXGNDWYMCAFS-YADHBBJMSA-N 2 1 353.510 3.210 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422784517 500297167 /nfs/dbraw/zinc/29/71/67/500297167.db2.gz IPBUQICDOWXSGR-IQUTYRLHSA-N 2 1 364.486 3.034 20 0 FGADMP C[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H]1C[NH3+] ZINC000422850473 500305327 /nfs/dbraw/zinc/30/53/27/500305327.db2.gz NOYMSXSJWUAOEI-SZVBFZGTSA-N 2 1 358.530 3.079 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2cccs2)c2ccc(C)cc2)CC1 ZINC000430927263 500308549 /nfs/dbraw/zinc/30/85/49/500308549.db2.gz HYNNQLHSPLFBED-NRFANRHFSA-N 2 1 371.550 3.194 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000430930760 500309194 /nfs/dbraw/zinc/30/91/94/500309194.db2.gz YNHXVSOQTAIJDR-UHFFFAOYSA-N 2 1 363.811 3.229 20 0 FGADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(NC(=O)Cc2ccccc2F)c1 ZINC000422885194 500311027 /nfs/dbraw/zinc/31/10/27/500311027.db2.gz YLICAZQKWIPBMD-GJZGRUSLSA-N 2 1 355.457 3.265 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721218 500312553 /nfs/dbraw/zinc/31/25/53/500312553.db2.gz MAGFFIMCTNXGAZ-WOJBJXKFSA-N 2 1 364.578 3.048 20 0 FGADMP C[C@H]([NH2+]C1CCN(c2nc3ccccc3s2)CC1)c1c[nH+]ccc1N ZINC000422935743 500319667 /nfs/dbraw/zinc/31/96/67/500319667.db2.gz DMSHNJFJQWBCOG-ZDUSSCGKSA-N 2 1 353.495 3.423 20 0 FGADMP N[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946062 500321571 /nfs/dbraw/zinc/32/15/71/500321571.db2.gz OFJVNIKCMDYTBC-DHIUTWEWSA-N 2 1 364.537 3.323 20 0 FGADMP N[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946063 500321946 /nfs/dbraw/zinc/32/19/46/500321946.db2.gz OFJVNIKCMDYTBC-GOTSBHOMSA-N 2 1 364.537 3.323 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418788877 500323501 /nfs/dbraw/zinc/32/35/01/500323501.db2.gz LMSPVGSJNMROJC-HBMCJLEFSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)C1 ZINC000431018979 500324145 /nfs/dbraw/zinc/32/41/45/500324145.db2.gz ZEOMPCWULQLQMW-JYWFKMLOSA-N 2 1 371.525 3.266 20 0 FGADMP CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)Nc1nccs1 ZINC000423015643 500331063 /nfs/dbraw/zinc/33/10/63/500331063.db2.gz LBZXEZIYYYVVOZ-PMPSAXMXSA-N 2 1 352.548 3.397 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C[C@H]1C ZINC000423018318 500331707 /nfs/dbraw/zinc/33/17/07/500331707.db2.gz QTFBZHVHZYYNAM-YBQSVFPOSA-N 3 1 371.569 3.068 20 0 FGADMP CCC[N@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000431073617 500332190 /nfs/dbraw/zinc/33/21/90/500332190.db2.gz ZAJGBXQNYGOBHT-OAQYLSRUSA-N 2 1 373.541 3.213 20 0 FGADMP CCC[N@@H+](CC(=O)N1CCC[C@@H]1c1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000431073617 500332191 /nfs/dbraw/zinc/33/21/91/500332191.db2.gz ZAJGBXQNYGOBHT-OAQYLSRUSA-N 2 1 373.541 3.213 20 0 FGADMP CCC[N@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000431079081 500333069 /nfs/dbraw/zinc/33/30/69/500333069.db2.gz IBFGAPIREMGDKS-UHFFFAOYSA-N 2 1 372.340 3.416 20 0 FGADMP CCC[N@@H+](CC(=O)N(C)Cc1cc(Cl)cc(Cl)c1)C1CC[NH2+]CC1 ZINC000431079081 500333073 /nfs/dbraw/zinc/33/30/73/500333073.db2.gz IBFGAPIREMGDKS-UHFFFAOYSA-N 2 1 372.340 3.416 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102633 500342573 /nfs/dbraw/zinc/34/25/73/500342573.db2.gz KIRVIGRLWOKJEV-BHDDXSALSA-N 2 1 357.542 3.170 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]1 ZINC000423153507 500349163 /nfs/dbraw/zinc/34/91/63/500349163.db2.gz HLZZKODSCNXOEP-OLMNPRSZSA-N 2 1 369.347 3.029 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419295112 500350134 /nfs/dbraw/zinc/35/01/34/500350134.db2.gz PZYQWODLQHGZOC-SJORKVTESA-N 2 1 357.542 3.421 20 0 FGADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000423268615 500360111 /nfs/dbraw/zinc/36/01/11/500360111.db2.gz GRONVJMHCNOFTB-NOZJJQNGSA-N 2 1 350.219 3.064 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000423324770 500364542 /nfs/dbraw/zinc/36/45/42/500364542.db2.gz IGQOCOBBNUPSPR-QFOJKKOJSA-N 2 1 374.525 3.098 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197395 500365832 /nfs/dbraw/zinc/36/58/32/500365832.db2.gz CPNOXWGZCBBILI-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000423360357 500367631 /nfs/dbraw/zinc/36/76/31/500367631.db2.gz LHJOPGKPCXBYEB-PXNSSMCTSA-N 2 1 351.494 3.014 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252685 500374147 /nfs/dbraw/zinc/37/41/47/500374147.db2.gz YCMLTPQQDZXMQL-KRWDZBQOSA-N 2 1 371.447 3.042 20 0 FGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252685 500374150 /nfs/dbraw/zinc/37/41/50/500374150.db2.gz YCMLTPQQDZXMQL-KRWDZBQOSA-N 2 1 371.447 3.042 20 0 FGADMP CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)CCC(F)(F)F ZINC000427252685 500374152 /nfs/dbraw/zinc/37/41/52/500374152.db2.gz YCMLTPQQDZXMQL-KRWDZBQOSA-N 2 1 371.447 3.042 20 0 FGADMP C[C@@H](Nc1nc2ccc(F)cc2n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000431416049 500374509 /nfs/dbraw/zinc/37/45/09/500374509.db2.gz ULSIDNPFRVYXNK-NVXWUHKLSA-N 2 1 352.457 3.457 20 0 FGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423461910 500376544 /nfs/dbraw/zinc/37/65/44/500376544.db2.gz OPWODRWVLSVYKX-HRXKGBARSA-N 2 1 353.554 3.393 20 0 FGADMP CC[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)CCC(F)(F)F ZINC000427274978 500376920 /nfs/dbraw/zinc/37/69/20/500376920.db2.gz RNYDIIZSCGGTDY-UHFFFAOYSA-N 2 1 371.447 3.287 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427286952 500377704 /nfs/dbraw/zinc/37/77/04/500377704.db2.gz IAZVHJUOARWNPX-TZIWHRDSSA-N 2 1 357.542 3.137 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427286950 500377836 /nfs/dbraw/zinc/37/78/36/500377836.db2.gz IAZVHJUOARWNPX-FPOVZHCZSA-N 2 1 357.542 3.137 20 0 FGADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1F ZINC000423518225 500381488 /nfs/dbraw/zinc/38/14/88/500381488.db2.gz ZFSBUJBVPIMSNK-LBXVMSDZSA-N 2 1 351.485 3.468 20 0 FGADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423530998 500383299 /nfs/dbraw/zinc/38/32/99/500383299.db2.gz SCMGQOICYKATGP-NYTWPICOSA-N 2 1 371.525 3.458 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000431639518 500401502 /nfs/dbraw/zinc/40/15/02/500401502.db2.gz XZIUUOHJRMIROO-NHCUHLMSSA-N 2 1 351.494 3.195 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000431639518 500401504 /nfs/dbraw/zinc/40/15/04/500401504.db2.gz XZIUUOHJRMIROO-NHCUHLMSSA-N 2 1 351.494 3.195 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423912569 500418336 /nfs/dbraw/zinc/41/83/36/500418336.db2.gz WERLGGJKKDGBDJ-GFOJFJKKSA-N 2 1 357.542 3.311 20 0 FGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CCS2 ZINC000427697109 500421930 /nfs/dbraw/zinc/42/19/30/500421930.db2.gz MFFGWABRSQLTBN-WMZOPIPTSA-N 2 1 361.555 3.017 20 0 FGADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420270864 500431838 /nfs/dbraw/zinc/43/18/38/500431838.db2.gz JVODJVVLIBUXKF-FQEVSTJZSA-N 2 1 357.523 3.028 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000420294715 500435940 /nfs/dbraw/zinc/43/59/40/500435940.db2.gz UJZYROWPUWKMBP-UHFFFAOYSA-N 2 1 359.436 3.171 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000420312063 500439394 /nfs/dbraw/zinc/43/93/94/500439394.db2.gz OEGQLRLIDSWRGX-AWEZNQCLSA-N 2 1 359.495 3.158 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](COCc3ccccc3)C2)cc1 ZINC000420313169 500439690 /nfs/dbraw/zinc/43/96/90/500439690.db2.gz XPRMJHFRRVGGKQ-TZIWHRDSSA-N 2 1 354.494 3.276 20 0 FGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420316932 500440246 /nfs/dbraw/zinc/44/02/46/500440246.db2.gz OBAHTAAPLHPOCZ-QGZVFWFLSA-N 2 1 361.287 3.077 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420316932 500440248 /nfs/dbraw/zinc/44/02/48/500440248.db2.gz OBAHTAAPLHPOCZ-QGZVFWFLSA-N 2 1 361.287 3.077 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320318 500440860 /nfs/dbraw/zinc/44/08/60/500440860.db2.gz BGDSKCZZOTVWQK-UKRRQHHQSA-N 2 1 353.304 3.197 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420320318 500440862 /nfs/dbraw/zinc/44/08/62/500440862.db2.gz BGDSKCZZOTVWQK-UKRRQHHQSA-N 2 1 353.304 3.197 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330967 500443387 /nfs/dbraw/zinc/44/33/87/500443387.db2.gz BFNSSTIAHRCJBB-HUUCEWRRSA-N 2 1 353.304 3.149 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337946 500443937 /nfs/dbraw/zinc/44/39/37/500443937.db2.gz XLOPQOAHUQJNPL-HIFRSBDPSA-N 2 1 358.404 3.334 20 0 FGADMP Fc1ccc(OCc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000420339550 500444548 /nfs/dbraw/zinc/44/45/48/500444548.db2.gz OHUMFCQVCHWGJJ-GASCZTMLSA-N 2 1 361.486 3.293 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344273 500445743 /nfs/dbraw/zinc/44/57/43/500445743.db2.gz SJOISRKNTJAWFA-WJMWBRGCSA-N 2 1 357.542 3.354 20 0 FGADMP Fc1ccccc1Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1F ZINC000420346928 500446233 /nfs/dbraw/zinc/44/62/33/500446233.db2.gz FCLBZDQXJKATKV-QGZVFWFLSA-N 2 1 373.447 3.237 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427954764 500450116 /nfs/dbraw/zinc/45/01/16/500450116.db2.gz JMTJRVGBANUVMJ-GVDBMIGSSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427954764 500450119 /nfs/dbraw/zinc/45/01/19/500450119.db2.gz JMTJRVGBANUVMJ-GVDBMIGSSA-N 2 1 355.885 3.102 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cs2)o1 ZINC000420379801 500451735 /nfs/dbraw/zinc/45/17/35/500451735.db2.gz NPQZDJKHZDKARN-AEFFLSMTSA-N 2 1 361.511 3.430 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424147946 500460209 /nfs/dbraw/zinc/46/02/09/500460209.db2.gz ZBIOUULSUYWQGL-FQEVSTJZSA-N 2 1 369.509 3.401 20 0 FGADMP Cn1cc[nH+]c1CC1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424173644 500463317 /nfs/dbraw/zinc/46/33/17/500463317.db2.gz LOCCJMKNTDRGQD-LJQANCHMSA-N 2 1 360.546 3.279 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424258961 500476511 /nfs/dbraw/zinc/47/65/11/500476511.db2.gz CLWYTDUWSGDXFS-HXUWFJFHSA-N 2 1 372.582 3.434 20 0 FGADMP C[C@H]1C[C@H](C)[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000428215168 500482213 /nfs/dbraw/zinc/48/22/13/500482213.db2.gz JUKSYKOZTDRMJC-GJZGRUSLSA-N 2 1 350.532 3.044 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000424294453 500482343 /nfs/dbraw/zinc/48/23/43/500482343.db2.gz QLNTVPBKUUAWDP-CYBMUJFWSA-N 2 1 370.278 3.255 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293197 500482603 /nfs/dbraw/zinc/48/26/03/500482603.db2.gz CQGQEIAETPGVTH-FQEVSTJZSA-N 2 1 372.582 3.290 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424301615 500483129 /nfs/dbraw/zinc/48/31/29/500483129.db2.gz XWEGPUCUSZMECI-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302404 500484132 /nfs/dbraw/zinc/48/41/32/500484132.db2.gz ZJXNTOCTCXAUKB-IRXDYDNUSA-N 2 1 369.509 3.416 20 0 FGADMP CN(C[C@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424307106 500484601 /nfs/dbraw/zinc/48/46/01/500484601.db2.gz WVSPZFDHBFCKFN-CTNGQTDRSA-N 2 1 355.501 3.322 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000424433070 500504597 /nfs/dbraw/zinc/50/45/97/500504597.db2.gz IAETUGMCCMJYMQ-KRWDZBQOSA-N 2 1 354.498 3.486 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432408454 500512228 /nfs/dbraw/zinc/51/22/28/500512228.db2.gz UFXIDHMZVPXXCF-IUPXNIOVSA-N 2 1 356.432 3.388 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000432408454 500512230 /nfs/dbraw/zinc/51/22/30/500512230.db2.gz UFXIDHMZVPXXCF-IUPXNIOVSA-N 2 1 356.432 3.388 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000420839717 500513573 /nfs/dbraw/zinc/51/35/73/500513573.db2.gz TURZATLREOOHJQ-QETWGEEDSA-N 2 1 372.557 3.213 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000420903668 500526916 /nfs/dbraw/zinc/52/69/16/500526916.db2.gz OLZZLTIVORUFHF-UHFFFAOYSA-N 2 1 373.585 3.463 20 0 FGADMP CCCN(CCC)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432666406 500545495 /nfs/dbraw/zinc/54/54/95/500545495.db2.gz DXBDAPYRVYRXBW-SFHVURJKSA-N 2 1 363.571 3.341 20 0 FGADMP CCCN(CCC)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000432666406 500545500 /nfs/dbraw/zinc/54/55/00/500545500.db2.gz DXBDAPYRVYRXBW-SFHVURJKSA-N 2 1 363.571 3.341 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(-c4ccccc4)no3)CC2)CC1 ZINC000420982517 500547584 /nfs/dbraw/zinc/54/75/84/500547584.db2.gz PAUBNNHYQGPMMB-UHFFFAOYSA-N 2 1 368.525 3.334 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc4cccnc43)CC2)CC1 ZINC000420981702 500547937 /nfs/dbraw/zinc/54/79/37/500547937.db2.gz NMTLBBZAICTHQT-UHFFFAOYSA-N 2 1 352.526 3.227 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000432813925 500566653 /nfs/dbraw/zinc/56/66/53/500566653.db2.gz PVCHQPBRDJOZEY-CBQGHPETSA-N 2 1 369.553 3.420 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000432813925 500566655 /nfs/dbraw/zinc/56/66/55/500566655.db2.gz PVCHQPBRDJOZEY-CBQGHPETSA-N 2 1 369.553 3.420 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000432813925 500566657 /nfs/dbraw/zinc/56/66/57/500566657.db2.gz PVCHQPBRDJOZEY-CBQGHPETSA-N 2 1 369.553 3.420 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000442640712 500607539 /nfs/dbraw/zinc/60/75/39/500607539.db2.gz BRYDBBBQOLKDHA-IBGZPJMESA-N 2 1 361.489 3.257 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767479 500622739 /nfs/dbraw/zinc/62/27/39/500622739.db2.gz QVVZFQGEFWPFHV-FUHWJXTLSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767479 500622741 /nfs/dbraw/zinc/62/27/41/500622741.db2.gz QVVZFQGEFWPFHV-FUHWJXTLSA-N 2 1 361.505 3.156 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055344 500669756 /nfs/dbraw/zinc/66/97/56/500669756.db2.gz BGLVOXFOMPGWBC-DYESRHJHSA-N 2 1 371.550 3.323 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1)c1cccc2ccccc21 ZINC000443065399 500672133 /nfs/dbraw/zinc/67/21/33/500672133.db2.gz ZTCAESYMLNGOLY-OKZBNKHCSA-N 2 1 353.510 3.466 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065402 500672542 /nfs/dbraw/zinc/67/25/42/500672542.db2.gz ZTCAESYMLNGOLY-RCCFBDPRSA-N 2 1 353.510 3.466 20 0 FGADMP CCOc1ccccc1C[N@@H+]1CCN(Cc2cccc3nccn32)[C@H](C)C1 ZINC000443070171 500674405 /nfs/dbraw/zinc/67/44/05/500674405.db2.gz OKVTVPCCIQOPTK-GOSISDBHSA-N 2 1 364.493 3.439 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@H+]1C1CC1 ZINC000443275575 500702903 /nfs/dbraw/zinc/70/29/03/500702903.db2.gz PVJFGJMJYSSFJJ-JEBQKTDQSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275575 500702907 /nfs/dbraw/zinc/70/29/07/500702907.db2.gz PVJFGJMJYSSFJJ-JEBQKTDQSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275575 500702910 /nfs/dbraw/zinc/70/29/10/500702910.db2.gz PVJFGJMJYSSFJJ-JEBQKTDQSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000433567999 500713615 /nfs/dbraw/zinc/71/36/15/500713615.db2.gz KBKBNRZABGUDDW-WSTZPKSXSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433567999 500713618 /nfs/dbraw/zinc/71/36/18/500713618.db2.gz KBKBNRZABGUDDW-WSTZPKSXSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433567999 500713623 /nfs/dbraw/zinc/71/36/23/500713623.db2.gz KBKBNRZABGUDDW-WSTZPKSXSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)(CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C[NH+]1CCCC1 ZINC000438137859 500743492 /nfs/dbraw/zinc/74/34/92/500743492.db2.gz IJVSNIFLROEFLT-IBGZPJMESA-N 2 1 364.578 3.205 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438329025 500770815 /nfs/dbraw/zinc/77/08/15/500770815.db2.gz OXFMLAQFOXFUNQ-UXHICEINSA-N 2 1 362.562 3.053 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000448551326 500771072 /nfs/dbraw/zinc/77/10/72/500771072.db2.gz IKSFIUIHVUCKIB-BBTUJRGHSA-N 2 1 357.542 3.451 20 0 FGADMP CC(C)c1ccc([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000448551329 500771250 /nfs/dbraw/zinc/77/12/50/500771250.db2.gz IKSFIUIHVUCKIB-WFXMLNOXSA-N 2 1 357.542 3.451 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000438344372 500773643 /nfs/dbraw/zinc/77/36/43/500773643.db2.gz GZYQDZGMEULNLB-UXHICEINSA-N 2 1 362.562 3.053 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000438344374 500773658 /nfs/dbraw/zinc/77/36/58/500773658.db2.gz GZYQDZGMEULNLB-WOJBJXKFSA-N 2 1 362.562 3.053 20 0 FGADMP C[N@@H+](CCCn1ccnc1)CC1=Cc2cc(Br)ccc2OC1 ZINC000570729908 506215642 /nfs/dbraw/zinc/21/56/42/506215642.db2.gz ODUDHZMVZAYXHY-UHFFFAOYSA-N 2 1 362.271 3.444 20 0 FGADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438577290 500804422 /nfs/dbraw/zinc/80/44/22/500804422.db2.gz ROWVIXLZTIVDIB-ROUUACIJSA-N 2 1 361.555 3.408 20 0 FGADMP C[C@@H]1CC[C@H](NC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000444147060 500809978 /nfs/dbraw/zinc/80/99/78/500809978.db2.gz QXKDJESIMXOWRY-MJGOQNOKSA-N 2 1 364.578 3.013 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000444226567 500819963 /nfs/dbraw/zinc/81/99/63/500819963.db2.gz PJPLEUWJTYXZQN-GOSISDBHSA-N 2 1 351.441 3.244 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000438834249 500824842 /nfs/dbraw/zinc/82/48/42/500824842.db2.gz ZUUKNWOIFGKSEV-UZLBHIALSA-N 2 1 368.525 3.031 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000438909487 500833893 /nfs/dbraw/zinc/83/38/93/500833893.db2.gz DESFMTGRTNOXPC-SQNIBIBYSA-N 2 1 363.571 3.035 20 0 FGADMP CC1(C)CC[NH+](CC2(C[N@H+]3CCSC(C)(C)CC3)COC2)CCS1 ZINC000434661837 500875376 /nfs/dbraw/zinc/87/53/76/500875376.db2.gz AGZFVHIYXBWRQT-UHFFFAOYSA-N 2 1 372.644 3.438 20 0 FGADMP C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000582439980 506223882 /nfs/dbraw/zinc/22/38/82/506223882.db2.gz YLYWZOZEFAJTAV-RXVVDRJESA-N 2 1 372.557 3.165 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3cccnc3o2)[C@@H](c2ccccc2)C1 ZINC000449075065 500917832 /nfs/dbraw/zinc/91/78/32/500917832.db2.gz MFZGQISWNKGQEI-OAQYLSRUSA-N 2 1 364.493 3.296 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)c1 ZINC000449131702 500932026 /nfs/dbraw/zinc/93/20/26/500932026.db2.gz OYUZWZWWRXCOPF-KRWDZBQOSA-N 2 1 374.550 3.435 20 0 FGADMP Cc1cccc(CC[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000449139268 500933037 /nfs/dbraw/zinc/93/30/37/500933037.db2.gz AGVXOOPKKVUVFS-JOCHJYFZSA-N 2 1 365.521 3.025 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000449148024 500935141 /nfs/dbraw/zinc/93/51/41/500935141.db2.gz IPBJKRJFXFXPGR-FQEVSTJZSA-N 3 1 367.622 3.492 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000449180762 500942332 /nfs/dbraw/zinc/94/23/32/500942332.db2.gz BZCBHZWZNPXMCP-FXAWDEMLSA-N 2 1 357.542 3.071 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)c2C)cc1 ZINC000435380535 500963721 /nfs/dbraw/zinc/96/37/21/500963721.db2.gz OQCQSSHXCTYJNU-HNAYVOBHSA-N 2 1 356.514 3.116 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378954 500963828 /nfs/dbraw/zinc/96/38/28/500963828.db2.gz KTGBLEXNEQOJGO-LPHOPBHVSA-N 2 1 355.482 3.228 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]12 ZINC000435387571 500965710 /nfs/dbraw/zinc/96/57/10/500965710.db2.gz ASMRHJVRWALUKB-CWRNSKLLSA-N 2 1 350.388 3.060 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]12 ZINC000435388656 500966093 /nfs/dbraw/zinc/96/60/93/500966093.db2.gz IHNUVQOLCZVWPS-JRGCBEDISA-N 2 1 359.477 3.103 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000435390978 500966721 /nfs/dbraw/zinc/96/67/21/500966721.db2.gz UZGMYKUIPCYYQA-SFHVURJKSA-N 2 1 367.493 3.379 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000435390978 500966723 /nfs/dbraw/zinc/96/67/23/500966723.db2.gz UZGMYKUIPCYYQA-SFHVURJKSA-N 2 1 367.493 3.379 20 0 FGADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OCc1ccncc1 ZINC000435431923 500975062 /nfs/dbraw/zinc/97/50/62/500975062.db2.gz KXRITQVENFSVPV-IBGZPJMESA-N 2 1 355.482 3.243 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000607689581 506227661 /nfs/dbraw/zinc/22/76/61/506227661.db2.gz DHSGWOPTECHZBE-IPMKNSEASA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000607689581 506227672 /nfs/dbraw/zinc/22/76/72/506227672.db2.gz DHSGWOPTECHZBE-IPMKNSEASA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000607689581 506227677 /nfs/dbraw/zinc/22/76/77/506227677.db2.gz DHSGWOPTECHZBE-IPMKNSEASA-N 2 1 373.541 3.152 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(C)C ZINC000449440011 501003628 /nfs/dbraw/zinc/00/36/28/501003628.db2.gz JRRGTYTWFYOGGU-NQIIRXRSSA-N 2 1 359.558 3.175 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498369 501018350 /nfs/dbraw/zinc/01/83/50/501018350.db2.gz LEYBKOIBJYSCNW-BVSLBCMMSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498369 501018352 /nfs/dbraw/zinc/01/83/52/501018352.db2.gz LEYBKOIBJYSCNW-BVSLBCMMSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498369 501018354 /nfs/dbraw/zinc/01/83/54/501018354.db2.gz LEYBKOIBJYSCNW-BVSLBCMMSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498369 501018357 /nfs/dbraw/zinc/01/83/57/501018357.db2.gz LEYBKOIBJYSCNW-BVSLBCMMSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498374 501018748 /nfs/dbraw/zinc/01/87/48/501018748.db2.gz LEYBKOIBJYSCNW-ILWGZMRPSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498374 501018750 /nfs/dbraw/zinc/01/87/50/501018750.db2.gz LEYBKOIBJYSCNW-ILWGZMRPSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498374 501018751 /nfs/dbraw/zinc/01/87/51/501018751.db2.gz LEYBKOIBJYSCNW-ILWGZMRPSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3C(C)=CCC[C@@H]3C)C2)CC1 ZINC000449498374 501018755 /nfs/dbraw/zinc/01/87/55/501018755.db2.gz LEYBKOIBJYSCNW-ILWGZMRPSA-N 2 1 361.574 3.245 20 0 FGADMP OC[C@H]([C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1)C1CC1 ZINC000449514051 501022534 /nfs/dbraw/zinc/02/25/34/501022534.db2.gz XLAUIOJJKJBGHU-FCHUYYIVSA-N 2 1 360.517 3.219 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CCCO1 ZINC000435787339 501028696 /nfs/dbraw/zinc/02/86/96/501028696.db2.gz ZXTXDODMKBPZQD-LJQANCHMSA-N 2 1 368.525 3.440 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CCCO1 ZINC000435787339 501028697 /nfs/dbraw/zinc/02/86/97/501028697.db2.gz ZXTXDODMKBPZQD-LJQANCHMSA-N 2 1 368.525 3.440 20 0 FGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449562171 501033839 /nfs/dbraw/zinc/03/38/39/501033839.db2.gz HQGGQPJACQCMEV-KRWDZBQOSA-N 2 1 355.530 3.284 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000440670725 501037201 /nfs/dbraw/zinc/03/72/01/501037201.db2.gz NQNKIGANCCSFEX-WTGUMLROSA-N 2 1 357.542 3.371 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000440924603 501063904 /nfs/dbraw/zinc/06/39/04/501063904.db2.gz OHBGMQSRPKXDHD-IBGZPJMESA-N 2 1 364.578 3.064 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3nccn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449770396 501082618 /nfs/dbraw/zinc/08/26/18/501082618.db2.gz IQOLMGAFPNSFIJ-PBASOCQRSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H](c3nccn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449770396 501082620 /nfs/dbraw/zinc/08/26/20/501082620.db2.gz IQOLMGAFPNSFIJ-PBASOCQRSA-N 2 1 368.525 3.283 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248806 501108388 /nfs/dbraw/zinc/10/83/88/501108388.db2.gz AZCXZINDFMOSPM-KBAYOESNSA-N 2 1 372.431 3.311 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441245637 501108411 /nfs/dbraw/zinc/10/84/11/501108411.db2.gz NFYKZYXOMSOPMJ-DUXKGJEZSA-N 2 1 362.514 3.038 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441245637 501108415 /nfs/dbraw/zinc/10/84/15/501108415.db2.gz NFYKZYXOMSOPMJ-DUXKGJEZSA-N 2 1 362.514 3.038 20 0 FGADMP CC(C)[NH+](Cc1cc(C[N@H+](C[C@H](C)O)C(C)C)ccc1F)C[C@H](C)O ZINC000450395904 501111597 /nfs/dbraw/zinc/11/15/97/501111597.db2.gz UTUMQGAXTBQGHR-IRXDYDNUSA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C[C@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000450395904 501111601 /nfs/dbraw/zinc/11/16/01/501111601.db2.gz UTUMQGAXTBQGHR-IRXDYDNUSA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C[C@H](C)O)C(C)C)c1)C[C@H](C)O ZINC000450395904 501111605 /nfs/dbraw/zinc/11/16/05/501111605.db2.gz UTUMQGAXTBQGHR-IRXDYDNUSA-N 2 1 354.510 3.008 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H](C(C)(C)C)CC3)cn2)CC1 ZINC000436402502 501120831 /nfs/dbraw/zinc/12/08/31/501120831.db2.gz XMAHHQUUAPQHDE-RTBURBONSA-N 2 1 359.562 3.313 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448185 501140639 /nfs/dbraw/zinc/14/06/39/501140639.db2.gz KLEWMRYFXYJZSN-SFTDATJTSA-N 2 1 360.542 3.159 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000441448185 501140640 /nfs/dbraw/zinc/14/06/40/501140640.db2.gz KLEWMRYFXYJZSN-SFTDATJTSA-N 2 1 360.542 3.159 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441449258 501141569 /nfs/dbraw/zinc/14/15/69/501141569.db2.gz IWGZCGFEKLMUAL-IRLDBZIGSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441449258 501141573 /nfs/dbraw/zinc/14/15/73/501141573.db2.gz IWGZCGFEKLMUAL-IRLDBZIGSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441449258 501141576 /nfs/dbraw/zinc/14/15/76/501141576.db2.gz IWGZCGFEKLMUAL-IRLDBZIGSA-N 2 1 369.553 3.294 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1O ZINC000436531103 501149140 /nfs/dbraw/zinc/14/91/40/501149140.db2.gz DNTYEPVHJPONLA-SFHVURJKSA-N 2 1 369.509 3.034 20 0 FGADMP CCC[N@H+](CCc1cscn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553623 501152805 /nfs/dbraw/zinc/15/28/05/501152805.db2.gz CAQNSQQDDZZZTN-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP CCC[N@@H+](CCc1cscn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450553623 501152807 /nfs/dbraw/zinc/15/28/07/501152807.db2.gz CAQNSQQDDZZZTN-UHFFFAOYSA-N 2 1 359.543 3.473 20 0 FGADMP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(Br)ccc12 ZINC000450600639 501163645 /nfs/dbraw/zinc/16/36/45/501163645.db2.gz WJIFYXGZQMGVBI-AWEZNQCLSA-N 2 1 364.287 3.256 20 0 FGADMP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(Br)ccc12 ZINC000450600639 501163651 /nfs/dbraw/zinc/16/36/51/501163651.db2.gz WJIFYXGZQMGVBI-AWEZNQCLSA-N 2 1 364.287 3.256 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000446839792 501171745 /nfs/dbraw/zinc/17/17/45/501171745.db2.gz CDJRJALLFWJMQO-SFHVURJKSA-N 2 1 358.448 3.413 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000450649797 501176768 /nfs/dbraw/zinc/17/67/68/501176768.db2.gz MFIDUPNFZVAHHP-BRWVUGGUSA-N 2 1 360.489 3.012 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc[nH+]c4ccccc43)C2)CC1 ZINC000450770188 501205133 /nfs/dbraw/zinc/20/51/33/501205133.db2.gz IGPKHYXKYCMOJL-IBGZPJMESA-N 2 1 366.509 3.005 20 0 FGADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450875724 501222634 /nfs/dbraw/zinc/22/26/34/501222634.db2.gz NXHHBZFXNSGXIV-FQEVSTJZSA-N 2 1 372.582 3.337 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450875724 501222637 /nfs/dbraw/zinc/22/26/37/501222637.db2.gz NXHHBZFXNSGXIV-FQEVSTJZSA-N 2 1 372.582 3.337 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000450875724 501222639 /nfs/dbraw/zinc/22/26/39/501222639.db2.gz NXHHBZFXNSGXIV-FQEVSTJZSA-N 2 1 372.582 3.337 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878766 501223219 /nfs/dbraw/zinc/22/32/19/501223219.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878766 501223220 /nfs/dbraw/zinc/22/32/20/501223220.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C[C@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878766 501223222 /nfs/dbraw/zinc/22/32/22/501223222.db2.gz TXOCNTBSNWZYNZ-RTBURBONSA-N 2 1 364.603 3.468 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018479 501239410 /nfs/dbraw/zinc/23/94/10/501239410.db2.gz MQQKWBHJLBFWBK-MOPGFXCFSA-N 2 1 358.530 3.009 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018479 501239411 /nfs/dbraw/zinc/23/94/11/501239411.db2.gz MQQKWBHJLBFWBK-MOPGFXCFSA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018479 501239412 /nfs/dbraw/zinc/23/94/12/501239412.db2.gz MQQKWBHJLBFWBK-MOPGFXCFSA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018479 501239413 /nfs/dbraw/zinc/23/94/13/501239413.db2.gz MQQKWBHJLBFWBK-MOPGFXCFSA-N 2 1 358.530 3.009 20 0 FGADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453054264 501259555 /nfs/dbraw/zinc/25/95/55/501259555.db2.gz HESDDGPJLJHJKO-JTQLQIEISA-N 2 1 350.219 3.033 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453088180 501266533 /nfs/dbraw/zinc/26/65/33/501266533.db2.gz ADLBBBFFALNMKO-BHDDXSALSA-N 2 1 369.553 3.422 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453106002 501270056 /nfs/dbraw/zinc/27/00/56/501270056.db2.gz YCQXJUZBCREWQX-DNVJHFABSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453109739 501271033 /nfs/dbraw/zinc/27/10/33/501271033.db2.gz AJZWYZRFJYLTAE-UGKGYDQZSA-N 2 1 353.510 3.019 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453109739 501271036 /nfs/dbraw/zinc/27/10/36/501271036.db2.gz AJZWYZRFJYLTAE-UGKGYDQZSA-N 2 1 353.510 3.019 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453116355 501272398 /nfs/dbraw/zinc/27/23/98/501272398.db2.gz WBDJJSSZHAZDFB-ZWKOTPCHSA-N 2 1 368.525 3.239 20 0 FGADMP CCC(CC)[C@H](CNC(=O)Nc1c(C)cc(C)nc1C)[NH+]1CCOCC1 ZINC000455473820 501312487 /nfs/dbraw/zinc/31/24/87/501312487.db2.gz JXMDGXHUSXJQFY-SFHVURJKSA-N 2 1 362.518 3.265 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000453312568 501312488 /nfs/dbraw/zinc/31/24/88/501312488.db2.gz VGVFAIVQUQNVTP-DOTOQJQBSA-N 2 1 350.503 3.107 20 0 FGADMP CCc1ccccc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525580 501312802 /nfs/dbraw/zinc/31/28/02/501312802.db2.gz GIKRIZUYYCXKLL-FQEVSTJZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccccc1C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525580 501312805 /nfs/dbraw/zinc/31/28/05/501312805.db2.gz GIKRIZUYYCXKLL-FQEVSTJZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccccc1C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525580 501312806 /nfs/dbraw/zinc/31/28/06/501312806.db2.gz GIKRIZUYYCXKLL-FQEVSTJZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccccc1C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525580 501312809 /nfs/dbraw/zinc/31/28/09/501312809.db2.gz GIKRIZUYYCXKLL-FQEVSTJZSA-N 2 1 357.542 3.015 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525751 501312857 /nfs/dbraw/zinc/31/28/57/501312857.db2.gz BBAOARHUKPTIML-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525751 501312859 /nfs/dbraw/zinc/31/28/59/501312859.db2.gz BBAOARHUKPTIML-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525751 501312862 /nfs/dbraw/zinc/31/28/62/501312862.db2.gz BBAOARHUKPTIML-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000451525751 501312864 /nfs/dbraw/zinc/31/28/64/501312864.db2.gz BBAOARHUKPTIML-CTNGQTDRSA-N 2 1 357.542 3.322 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H](C)C1 ZINC000453385963 501323849 /nfs/dbraw/zinc/32/38/49/501323849.db2.gz VJXGRVDMPOKOMD-WERVVEIQSA-N 2 1 361.530 3.028 20 0 FGADMP Cn1cc(C[N@H+]2CCCCC[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000453592707 501356262 /nfs/dbraw/zinc/35/62/62/501356262.db2.gz AZTABZRODFXICQ-JOCHJYFZSA-N 2 1 367.541 3.472 20 0 FGADMP Cc1cc(Br)c(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000453596113 501357484 /nfs/dbraw/zinc/35/74/84/501357484.db2.gz WZSOMDVAMROYQH-UHFFFAOYSA-N 2 1 374.392 3.182 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@]4(C3)CCC[N@@H+](C)C4)ccc21 ZINC000455864517 501402387 /nfs/dbraw/zinc/40/23/87/501402387.db2.gz SYYXJAJUFQVAGU-TZIWHRDSSA-N 2 1 356.514 3.185 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H](C)C1 ZINC000455944827 501422488 /nfs/dbraw/zinc/42/24/88/501422488.db2.gz WBFLLKVGDKSTDK-YSSFQJQWSA-N 2 1 358.530 3.430 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000458481502 501454651 /nfs/dbraw/zinc/45/46/51/501454651.db2.gz DADXPDMJFQDFKR-ICSRJNTNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458625458 501492319 /nfs/dbraw/zinc/49/23/19/501492319.db2.gz DYRWRWVZZQPRIU-SJORKVTESA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788495 501629711 /nfs/dbraw/zinc/62/97/11/501629711.db2.gz BCBJHIGGCRQWDQ-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@@H](C)O1 ZINC000459473922 501660023 /nfs/dbraw/zinc/66/00/23/501660023.db2.gz PKHRPBJHAXMKSY-IAGOWNOFSA-N 2 1 374.516 3.402 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195142 501663867 /nfs/dbraw/zinc/66/38/67/501663867.db2.gz GGKJONITBMLYIK-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195142 501663869 /nfs/dbraw/zinc/66/38/69/501663869.db2.gz GGKJONITBMLYIK-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195142 501663870 /nfs/dbraw/zinc/66/38/70/501663870.db2.gz GGKJONITBMLYIK-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498963 501664463 /nfs/dbraw/zinc/66/44/63/501664463.db2.gz BRULXMQORKTWCM-IBGZPJMESA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498963 501664464 /nfs/dbraw/zinc/66/44/64/501664464.db2.gz BRULXMQORKTWCM-IBGZPJMESA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498963 501664465 /nfs/dbraw/zinc/66/44/65/501664465.db2.gz BRULXMQORKTWCM-IBGZPJMESA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC(F)(F)CC3)C2)CC1 ZINC000459498963 501664466 /nfs/dbraw/zinc/66/44/66/501664466.db2.gz BRULXMQORKTWCM-IBGZPJMESA-N 2 1 371.516 3.078 20 0 FGADMP COc1cc(Br)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000459723935 501704524 /nfs/dbraw/zinc/70/45/24/501704524.db2.gz DJJCUDZBBGFGEK-ZDUSSCGKSA-N 2 1 371.319 3.288 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459728029 501705277 /nfs/dbraw/zinc/70/52/77/501705277.db2.gz CKTZBTJRBPMTHJ-IAGOWNOFSA-N 2 1 365.949 3.399 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000457545738 501719327 /nfs/dbraw/zinc/71/93/27/501719327.db2.gz YGXPXTMOGSDGJA-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP CCCN(C(=O)c1ccnc(C[NH3+])c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000463479066 501735651 /nfs/dbraw/zinc/73/56/51/501735651.db2.gz PLSGFKDQHNKHQS-NRFANRHFSA-N 2 1 366.509 3.057 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603050 501739990 /nfs/dbraw/zinc/73/99/90/501739990.db2.gz SAZSSKJTXLBWRD-IAGOWNOFSA-N 2 1 371.447 3.299 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000481311136 501740986 /nfs/dbraw/zinc/74/09/86/501740986.db2.gz KTHBUGKUGPGILF-FPOVZHCZSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000481311136 501740993 /nfs/dbraw/zinc/74/09/93/501740993.db2.gz KTHBUGKUGPGILF-FPOVZHCZSA-N 2 1 374.573 3.299 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1F ZINC000460184467 501752382 /nfs/dbraw/zinc/75/23/82/501752382.db2.gz ATABFIZISZDTHA-UHFFFAOYSA-N 2 1 372.488 3.448 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470736893 501787643 /nfs/dbraw/zinc/78/76/43/501787643.db2.gz KXUFGMLUJYGOQJ-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470736893 501787648 /nfs/dbraw/zinc/78/76/48/501787648.db2.gz KXUFGMLUJYGOQJ-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470736893 501787654 /nfs/dbraw/zinc/78/76/54/501787654.db2.gz KXUFGMLUJYGOQJ-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470742533 501789963 /nfs/dbraw/zinc/78/99/63/501789963.db2.gz CRTHWZCCRMFTNB-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCCCCC1 ZINC000470747906 501790233 /nfs/dbraw/zinc/79/02/33/501790233.db2.gz UBVOXQFIECMIEC-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359937 501803584 /nfs/dbraw/zinc/80/35/84/501803584.db2.gz PKGNKWGRZQTJEO-JKBKZWBZSA-N 2 1 371.569 3.428 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000460373380 501807820 /nfs/dbraw/zinc/80/78/20/501807820.db2.gz DUXVVOJYNNTIDW-VXKWHMMOSA-N 2 1 365.521 3.113 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463741995 501809328 /nfs/dbraw/zinc/80/93/28/501809328.db2.gz RPYBBYGGQBQINQ-FQEVSTJZSA-N 2 1 370.541 3.378 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463741995 501809335 /nfs/dbraw/zinc/80/93/35/501809335.db2.gz RPYBBYGGQBQINQ-FQEVSTJZSA-N 2 1 370.541 3.378 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](c2ccco2)C1 ZINC000460394889 501813678 /nfs/dbraw/zinc/81/36/78/501813678.db2.gz PVMCAIVFGRXMAQ-HOJAQTOUSA-N 2 1 369.509 3.472 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](c2ccco2)C1 ZINC000460394889 501813682 /nfs/dbraw/zinc/81/36/82/501813682.db2.gz PVMCAIVFGRXMAQ-HOJAQTOUSA-N 2 1 369.509 3.472 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCC3)C2)CC1 ZINC000470865242 501834587 /nfs/dbraw/zinc/83/45/87/501834587.db2.gz FLWTVPBMSPCIFO-UHFFFAOYSA-N 2 1 369.553 3.342 20 0 FGADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)NC1CCCC1 ZINC000485499364 501838362 /nfs/dbraw/zinc/83/83/62/501838362.db2.gz XPIAZUFTKICYAQ-UHFFFAOYSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000477973178 501843723 /nfs/dbraw/zinc/84/37/23/501843723.db2.gz XQZZQTVVDPSSIN-XVAXZDLZSA-N 2 1 373.516 3.313 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000477973178 501843728 /nfs/dbraw/zinc/84/37/28/501843728.db2.gz XQZZQTVVDPSSIN-XVAXZDLZSA-N 2 1 373.516 3.313 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000470974846 501879309 /nfs/dbraw/zinc/87/93/09/501879309.db2.gz FIHPUQYOVGYTOS-SFTDATJTSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000470974846 501879317 /nfs/dbraw/zinc/87/93/17/501879317.db2.gz FIHPUQYOVGYTOS-SFTDATJTSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974846 501879323 /nfs/dbraw/zinc/87/93/23/501879323.db2.gz FIHPUQYOVGYTOS-SFTDATJTSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974846 501879328 /nfs/dbraw/zinc/87/93/28/501879328.db2.gz FIHPUQYOVGYTOS-SFTDATJTSA-N 2 1 360.542 3.015 20 0 FGADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000470995702 501886764 /nfs/dbraw/zinc/88/67/64/501886764.db2.gz PMLRVBMGNQEALC-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000470995702 501886766 /nfs/dbraw/zinc/88/67/66/501886766.db2.gz PMLRVBMGNQEALC-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccc(F)cc1 ZINC000470995702 501886769 /nfs/dbraw/zinc/88/67/69/501886769.db2.gz PMLRVBMGNQEALC-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000468023065 501932290 /nfs/dbraw/zinc/93/22/90/501932290.db2.gz VDYGVJQGXCSUKE-QKNQBKEWSA-N 2 1 374.573 3.488 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468047113 501940157 /nfs/dbraw/zinc/94/01/57/501940157.db2.gz GKHZSEILUHPMFB-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c(C)c1 ZINC000482011483 501946432 /nfs/dbraw/zinc/94/64/32/501946432.db2.gz ANEZHGVHBCMQBJ-PGRDOPGGSA-N 2 1 354.542 3.243 20 0 FGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c(C)c1 ZINC000482011483 501946434 /nfs/dbraw/zinc/94/64/34/501946434.db2.gz ANEZHGVHBCMQBJ-PGRDOPGGSA-N 2 1 354.542 3.243 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H](C)C1 ZINC000482038271 501954337 /nfs/dbraw/zinc/95/43/37/501954337.db2.gz YMOCIQRWXXABOT-KNQAVFIVSA-N 2 1 370.541 3.141 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)c1ccccc1 ZINC000482080338 501968754 /nfs/dbraw/zinc/96/87/54/501968754.db2.gz JNWVZQMVWHUGDA-DZFGPLHGSA-N 2 1 357.542 3.497 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474878625 501978794 /nfs/dbraw/zinc/97/87/94/501978794.db2.gz KTXWQFCZEYHSKM-MRXNPFEDSA-N 2 1 361.921 3.378 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000482122840 501981334 /nfs/dbraw/zinc/98/13/34/501981334.db2.gz GCCIDCQNBUMXJX-PXNSSMCTSA-N 2 1 374.529 3.074 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000468231833 501998167 /nfs/dbraw/zinc/99/81/67/501998167.db2.gz ZLXJQBZAWDBICF-HXUWFJFHSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475018418 502022393 /nfs/dbraw/zinc/02/23/93/502022393.db2.gz UWNQRBIHSNGEHP-BVYCBKJFSA-N 2 1 365.521 3.284 20 0 FGADMP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018679 502023040 /nfs/dbraw/zinc/02/30/40/502023040.db2.gz RZBNMILXEVHMIG-IBGZPJMESA-N 2 1 372.557 3.212 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026049 502026380 /nfs/dbraw/zinc/02/63/80/502026380.db2.gz KTKSDJRGQMXNMX-NHCUHLMSSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026049 502026385 /nfs/dbraw/zinc/02/63/85/502026385.db2.gz KTKSDJRGQMXNMX-NHCUHLMSSA-N 2 1 369.484 3.382 20 0 FGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475037618 502030871 /nfs/dbraw/zinc/03/08/71/502030871.db2.gz FSROFTIZVCCJCZ-BVYCBKJFSA-N 2 1 365.521 3.284 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043010 502032870 /nfs/dbraw/zinc/03/28/70/502032870.db2.gz RXQILAPMKDMHGN-FPOVZHCZSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043010 502032872 /nfs/dbraw/zinc/03/28/72/502032872.db2.gz RXQILAPMKDMHGN-FPOVZHCZSA-N 2 1 369.484 3.034 20 0 FGADMP CCC1(CC)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCS1 ZINC000475128314 502069975 /nfs/dbraw/zinc/06/99/75/502069975.db2.gz LLGAZUWAOGGLRW-SFHVURJKSA-N 2 1 363.571 3.013 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136782 502075547 /nfs/dbraw/zinc/07/55/47/502075547.db2.gz PFKHECVAVBNQOT-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136782 502075552 /nfs/dbraw/zinc/07/55/52/502075552.db2.gz PFKHECVAVBNQOT-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136782 502075558 /nfs/dbraw/zinc/07/55/58/502075558.db2.gz PFKHECVAVBNQOT-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000468486982 502076990 /nfs/dbraw/zinc/07/69/90/502076990.db2.gz JDOKXGBPIFLJKU-QGZVFWFLSA-N 2 1 356.470 3.129 20 0 FGADMP Cc1cccc([C@@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141661 502077835 /nfs/dbraw/zinc/07/78/35/502077835.db2.gz VRHOBGDYRAEYKL-YADHBBJMSA-N 2 1 365.521 3.203 20 0 FGADMP CCN(C(=O)NCC[NH+]1CCC(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170903 502089319 /nfs/dbraw/zinc/08/93/19/502089319.db2.gz OQNDOGHGJLHGQD-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(=O)N[C@@H](C)C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000482505829 502092343 /nfs/dbraw/zinc/09/23/43/502092343.db2.gz OKLNGSIQFUJWCM-SFHVURJKSA-N 2 1 359.558 3.381 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825200 502107690 /nfs/dbraw/zinc/10/76/90/502107690.db2.gz CFMWQLVOADXIJN-TZIWHRDSSA-N 2 1 374.573 3.347 20 0 FGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838495 502113355 /nfs/dbraw/zinc/11/33/55/502113355.db2.gz WLHONCMGXJPYQD-JXFKEZNVSA-N 2 1 373.541 3.358 20 0 FGADMP CCc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464838495 502113360 /nfs/dbraw/zinc/11/33/60/502113360.db2.gz WLHONCMGXJPYQD-JXFKEZNVSA-N 2 1 373.541 3.358 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461443156 502117123 /nfs/dbraw/zinc/11/71/23/502117123.db2.gz GKTZXEIZMXRHGB-FGZHOGPDSA-N 2 1 369.553 3.087 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871588 502132436 /nfs/dbraw/zinc/13/24/36/502132436.db2.gz HOWKIUUXGYFRCP-JKSUJKDBSA-N 2 1 365.949 3.364 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2nccc(OC)c2OC)CC1)CC1CC1 ZINC000475328277 502136432 /nfs/dbraw/zinc/13/64/32/502136432.db2.gz HOMXECYDDCPBBM-UHFFFAOYSA-N 2 1 361.530 3.433 20 0 FGADMP CCc1nn(C)c(CC)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475345109 502142792 /nfs/dbraw/zinc/14/27/92/502142792.db2.gz ZQSBUEZWCGDQCE-KDURUIRLSA-N 2 1 352.526 3.109 20 0 FGADMP CCc1nn(C)c(CC)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000475345109 502142793 /nfs/dbraw/zinc/14/27/93/502142793.db2.gz ZQSBUEZWCGDQCE-KDURUIRLSA-N 2 1 352.526 3.109 20 0 FGADMP CCc1nn(C)c(CC)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475345109 502142794 /nfs/dbraw/zinc/14/27/94/502142794.db2.gz ZQSBUEZWCGDQCE-KDURUIRLSA-N 2 1 352.526 3.109 20 0 FGADMP CCc1nn(C)c(CC)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000475345109 502142795 /nfs/dbraw/zinc/14/27/95/502142795.db2.gz ZQSBUEZWCGDQCE-KDURUIRLSA-N 2 1 352.526 3.109 20 0 FGADMP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000479063803 502151270 /nfs/dbraw/zinc/15/12/70/502151270.db2.gz PPFYSZYATYRZGD-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071687 502155002 /nfs/dbraw/zinc/15/50/02/502155002.db2.gz SYANPPBZVLVRJW-FPOVZHCZSA-N 2 1 368.525 3.076 20 0 FGADMP CC[C@H](C(=O)N(Cc1ccncc1)C[C@H]1CCC[N@H+]1CC)[NH+](CC)CC ZINC000461642680 502160990 /nfs/dbraw/zinc/16/09/90/502160990.db2.gz NRWCFGBEQCCIMV-WOJBJXKFSA-N 2 1 360.546 3.015 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCSC1 ZINC000486509741 502176628 /nfs/dbraw/zinc/17/66/28/502176628.db2.gz ZZJRYCLHQZPMLB-IBGZPJMESA-N 2 1 361.555 3.438 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CCSC1 ZINC000486509741 502176629 /nfs/dbraw/zinc/17/66/29/502176629.db2.gz ZZJRYCLHQZPMLB-IBGZPJMESA-N 2 1 361.555 3.438 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(=O)N3Cc4ccccc4C3)CC2)C1 ZINC000475504958 502194128 /nfs/dbraw/zinc/19/41/28/502194128.db2.gz QSRKGCCNFYABNC-UTKZUKDTSA-N 2 1 355.526 3.162 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Cl)cc21 ZINC000482885109 502207309 /nfs/dbraw/zinc/20/73/09/502207309.db2.gz CZXKUQQWOWQCKE-FUHWJXTLSA-N 2 1 352.906 3.380 20 0 FGADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C(C)C)cc1 ZINC000482885999 502207976 /nfs/dbraw/zinc/20/79/76/502207976.db2.gz HUIANEVRMFNSKR-OAQYLSRUSA-N 2 1 359.558 3.094 20 0 FGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475554818 502211752 /nfs/dbraw/zinc/21/17/52/502211752.db2.gz NPTVGCFHLRWENA-OAQYLSRUSA-N 2 1 351.494 3.095 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221500 502219080 /nfs/dbraw/zinc/21/90/80/502219080.db2.gz PWRDVOYMIUGVBC-TZIWHRDSSA-N 2 1 374.573 3.129 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000475619348 502230881 /nfs/dbraw/zinc/23/08/81/502230881.db2.gz VFQPRSODJCYUGP-UHFFFAOYSA-N 2 1 353.466 3.201 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3nc(C)sc3c2)CC1 ZINC000475626637 502233646 /nfs/dbraw/zinc/23/36/46/502233646.db2.gz NQBHHGBPSUOPDO-UHFFFAOYSA-N 2 1 354.479 3.331 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472111622 502236192 /nfs/dbraw/zinc/23/61/92/502236192.db2.gz YHNACJWEGUFLNE-FHLIZLRMSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472111622 502236198 /nfs/dbraw/zinc/23/61/98/502236198.db2.gz YHNACJWEGUFLNE-FHLIZLRMSA-N 2 1 366.937 3.115 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000472155562 502251959 /nfs/dbraw/zinc/25/19/59/502251959.db2.gz KTAPCSWUVFMTLX-NSISKUIASA-N 2 1 369.509 3.058 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000472155562 502251965 /nfs/dbraw/zinc/25/19/65/502251965.db2.gz KTAPCSWUVFMTLX-NSISKUIASA-N 2 1 369.509 3.058 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269218 /nfs/dbraw/zinc/26/92/18/502269218.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269223 /nfs/dbraw/zinc/26/92/23/502269223.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269228 /nfs/dbraw/zinc/26/92/28/502269228.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269233 /nfs/dbraw/zinc/26/92/33/502269233.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269240 /nfs/dbraw/zinc/26/92/40/502269240.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269245 /nfs/dbraw/zinc/26/92/45/502269245.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000479468604 502269248 /nfs/dbraw/zinc/26/92/48/502269248.db2.gz YREZBCKAFRYYQI-WWNPGLIZSA-N 3 1 373.585 3.235 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)C(C)C ZINC000479523097 502285205 /nfs/dbraw/zinc/28/52/05/502285205.db2.gz PHPLXIILCXLIPQ-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)C(C)C ZINC000479523097 502285211 /nfs/dbraw/zinc/28/52/11/502285211.db2.gz PHPLXIILCXLIPQ-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)C(C)C ZINC000479523097 502285216 /nfs/dbraw/zinc/28/52/16/502285216.db2.gz PHPLXIILCXLIPQ-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1CCCCC1 ZINC000465542215 502299962 /nfs/dbraw/zinc/29/99/62/502299962.db2.gz LDXRVKNGWYTEOE-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CN(Cc1nccn1CC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483175227 502303615 /nfs/dbraw/zinc/30/36/15/502303615.db2.gz AUHOEDGSTDHWOW-CQSZACIVSA-N 2 1 372.435 3.058 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)c(C)c1 ZINC000469154893 502316898 /nfs/dbraw/zinc/31/68/98/502316898.db2.gz IYKHQLAQTMXQFV-QGZVFWFLSA-N 2 1 351.922 3.137 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465606869 502323137 /nfs/dbraw/zinc/32/31/37/502323137.db2.gz QYGFYXXGFJEZIO-QUCCMNQESA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465606869 502323141 /nfs/dbraw/zinc/32/31/41/502323141.db2.gz QYGFYXXGFJEZIO-QUCCMNQESA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465606869 502323144 /nfs/dbraw/zinc/32/31/44/502323144.db2.gz QYGFYXXGFJEZIO-QUCCMNQESA-N 2 1 364.578 3.062 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376524 502334389 /nfs/dbraw/zinc/33/43/89/502334389.db2.gz XTHVBFLLVOWBIE-MJGOQNOKSA-N 2 1 356.466 3.238 20 0 FGADMP Brc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000479683995 502343358 /nfs/dbraw/zinc/34/33/58/502343358.db2.gz AZMJNEYMHOLWOB-QGZVFWFLSA-N 2 1 353.304 3.212 20 0 FGADMP Cc1cc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000462261097 502371359 /nfs/dbraw/zinc/37/13/59/502371359.db2.gz ICXFPOWJOXUMBJ-UHFFFAOYSA-N 2 1 373.545 3.006 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000465752935 502371378 /nfs/dbraw/zinc/37/13/78/502371378.db2.gz KDXDEOQELXDXDG-HDICACEKSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465758088 502374049 /nfs/dbraw/zinc/37/40/49/502374049.db2.gz PDUIBSBLLFKXDL-GIVPXCGWSA-N 2 1 372.557 3.338 20 0 FGADMP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588691460 506310920 /nfs/dbraw/zinc/31/09/20/506310920.db2.gz NYEYWPBCNBJNIL-FPOVZHCZSA-N 2 1 355.526 3.276 20 0 FGADMP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588691460 506310925 /nfs/dbraw/zinc/31/09/25/506310925.db2.gz NYEYWPBCNBJNIL-FPOVZHCZSA-N 2 1 355.526 3.276 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C(C)C ZINC000465848655 502402940 /nfs/dbraw/zinc/40/29/40/502402940.db2.gz RWJVICVCYPVVMH-NRFANRHFSA-N 2 1 374.573 3.270 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](CC)C(C)C ZINC000465848655 502402942 /nfs/dbraw/zinc/40/29/42/502402942.db2.gz RWJVICVCYPVVMH-NRFANRHFSA-N 2 1 374.573 3.270 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](CC)C(C)C ZINC000465848655 502402945 /nfs/dbraw/zinc/40/29/45/502402945.db2.gz RWJVICVCYPVVMH-NRFANRHFSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854870 502403703 /nfs/dbraw/zinc/40/37/03/502403703.db2.gz MYNHRBUILQHLGL-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465854870 502403706 /nfs/dbraw/zinc/40/37/06/502403706.db2.gz MYNHRBUILQHLGL-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465854870 502403707 /nfs/dbraw/zinc/40/37/07/502403707.db2.gz MYNHRBUILQHLGL-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCCCCNC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483484887 502405919 /nfs/dbraw/zinc/40/59/19/502405919.db2.gz QVJXCCZOWMGQGD-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000483526649 502422212 /nfs/dbraw/zinc/42/22/12/502422212.db2.gz SGZUUMKSBZDMEK-GHTZIAJQSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730380 502426898 /nfs/dbraw/zinc/42/68/98/502426898.db2.gz BCSCPERPTYTBLW-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730380 502426899 /nfs/dbraw/zinc/42/68/99/502426899.db2.gz BCSCPERPTYTBLW-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730380 502426901 /nfs/dbraw/zinc/42/69/01/502426901.db2.gz BCSCPERPTYTBLW-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730380 502426903 /nfs/dbraw/zinc/42/69/03/502426903.db2.gz BCSCPERPTYTBLW-IAGOWNOFSA-N 2 1 374.447 3.251 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558508 502431498 /nfs/dbraw/zinc/43/14/98/502431498.db2.gz JIGPKKFTJBXAHI-PCCBWWKXSA-N 2 1 357.542 3.086 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561601 502431994 /nfs/dbraw/zinc/43/19/94/502431994.db2.gz NQSRSPWYICVXMQ-YPAWHYETSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561601 502431998 /nfs/dbraw/zinc/43/19/98/502431998.db2.gz NQSRSPWYICVXMQ-YPAWHYETSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561601 502432003 /nfs/dbraw/zinc/43/20/03/502432003.db2.gz NQSRSPWYICVXMQ-YPAWHYETSA-N 2 1 369.553 3.374 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469484696 502434633 /nfs/dbraw/zinc/43/46/33/502434633.db2.gz XHSFCNLUOJLRFR-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469484696 502434638 /nfs/dbraw/zinc/43/46/38/502434638.db2.gz XHSFCNLUOJLRFR-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000469484696 502434641 /nfs/dbraw/zinc/43/46/41/502434641.db2.gz XHSFCNLUOJLRFR-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000469484696 502434647 /nfs/dbraw/zinc/43/46/47/502434647.db2.gz XHSFCNLUOJLRFR-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)c1ccccc1 ZINC000469483030 502434907 /nfs/dbraw/zinc/43/49/07/502434907.db2.gz AFYVNHXTDWDUPF-NRFANRHFSA-N 2 1 353.510 3.100 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953363 502438872 /nfs/dbraw/zinc/43/88/72/502438872.db2.gz ADUGBGYKXUIIEX-CTNGQTDRSA-N 2 1 374.573 3.156 20 0 FGADMP CC[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)C1 ZINC000465991236 502448030 /nfs/dbraw/zinc/44/80/30/502448030.db2.gz ZJJFNKAYPFOUPZ-CEXWTWQISA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000466030162 502459508 /nfs/dbraw/zinc/45/95/08/502459508.db2.gz BHLMPFXXXMCVID-NQIIRXRSSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000466030162 502459513 /nfs/dbraw/zinc/45/95/13/502459513.db2.gz BHLMPFXXXMCVID-NQIIRXRSSA-N 2 1 372.557 3.120 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096484 502470568 /nfs/dbraw/zinc/47/05/68/502470568.db2.gz VANDBJGVSXCZBY-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096484 502470574 /nfs/dbraw/zinc/47/05/74/502470574.db2.gz VANDBJGVSXCZBY-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483735688 502479767 /nfs/dbraw/zinc/47/97/67/502479767.db2.gz ZNQXIHUKIHILBU-UFYCRDLUSA-N 2 1 366.594 3.257 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786048 502492307 /nfs/dbraw/zinc/49/23/07/502492307.db2.gz SWXDJBCOYWKQES-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786048 502492309 /nfs/dbraw/zinc/49/23/09/502492309.db2.gz SWXDJBCOYWKQES-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483786048 502492311 /nfs/dbraw/zinc/49/23/11/502492311.db2.gz SWXDJBCOYWKQES-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000487650317 502498542 /nfs/dbraw/zinc/49/85/42/502498542.db2.gz HBMLTMKDIIKVEJ-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476487020 502502938 /nfs/dbraw/zinc/50/29/38/502502938.db2.gz JYKIKMRMYBPFSI-NRFANRHFSA-N 2 1 370.541 3.051 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000476545141 502520101 /nfs/dbraw/zinc/52/01/01/502520101.db2.gz UPGJLFCOXQNCEQ-IAGOWNOFSA-N 2 1 364.534 3.082 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000476545141 502520104 /nfs/dbraw/zinc/52/01/04/502520104.db2.gz UPGJLFCOXQNCEQ-IAGOWNOFSA-N 2 1 364.534 3.082 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753388 502532568 /nfs/dbraw/zinc/53/25/68/502532568.db2.gz SNYFCEOLCJUSKG-DLBZAZTESA-N 2 1 371.447 3.299 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@H+]1Cc1ccccc1 ZINC000480305818 502532772 /nfs/dbraw/zinc/53/27/72/502532772.db2.gz GNWWSQNXVYFHEL-PKOBYXMFSA-N 2 1 355.530 3.423 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000469757310 502533533 /nfs/dbraw/zinc/53/35/33/502533533.db2.gz LXOUHVRBSQRTTK-NGRWLJPCSA-N 2 1 357.542 3.135 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](Cc4ccccc4)CC3)c2)C1 ZINC000462876225 502609538 /nfs/dbraw/zinc/60/95/38/502609538.db2.gz VROQZNWQIIHCFH-QHCPKHFHSA-N 2 1 365.521 3.330 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473501992 502613087 /nfs/dbraw/zinc/61/30/87/502613087.db2.gz BTNXQDOCTAWHFD-ZRCGQRJVSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473501992 502613090 /nfs/dbraw/zinc/61/30/90/502613090.db2.gz BTNXQDOCTAWHFD-ZRCGQRJVSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473501992 502613096 /nfs/dbraw/zinc/61/30/96/502613096.db2.gz BTNXQDOCTAWHFD-ZRCGQRJVSA-N 2 1 369.553 3.374 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1O ZINC000470022023 502633583 /nfs/dbraw/zinc/63/35/83/502633583.db2.gz GDVICJWZTRWHAS-HNNXBMFYSA-N 2 1 369.303 3.127 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480689134 502644054 /nfs/dbraw/zinc/64/40/54/502644054.db2.gz VXBGZVNFYLRIJU-RXVVDRJESA-N 2 1 356.514 3.023 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[NH+](CC)CC ZINC000470083513 502654474 /nfs/dbraw/zinc/65/44/74/502654474.db2.gz VYEPUWBBOWIIBD-YLJYHZDGSA-N 2 1 361.530 3.466 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000480753835 502662101 /nfs/dbraw/zinc/66/21/01/502662101.db2.gz IWXMGZYSTAQFTE-RBBKRZOGSA-N 2 1 374.569 3.461 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463204000 502718226 /nfs/dbraw/zinc/71/82/26/502718226.db2.gz HTVIDDGTQJMMKU-GIVPXCGWSA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cnn(C)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463204000 502718230 /nfs/dbraw/zinc/71/82/30/502718230.db2.gz HTVIDDGTQJMMKU-GIVPXCGWSA-N 2 1 367.541 3.032 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCNc3ccc4ccccc4n3)CC2)cc1 ZINC000463206950 502720706 /nfs/dbraw/zinc/72/07/06/502720706.db2.gz RHMWFYJNDZXBOA-UHFFFAOYSA-N 2 1 374.532 3.365 20 0 FGADMP Oc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000463248521 502735568 /nfs/dbraw/zinc/73/55/68/502735568.db2.gz VGWQYYMNPLAZNB-HXUWFJFHSA-N 2 1 354.469 3.295 20 0 FGADMP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000484774768 502737977 /nfs/dbraw/zinc/73/79/77/502737977.db2.gz HDZMMGMTGBVVKV-KSZLIROESA-N 2 1 356.432 3.385 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000463270300 502742312 /nfs/dbraw/zinc/74/23/12/502742312.db2.gz FZDFAIQALYXMBS-UGGKCQTMSA-N 2 1 360.542 3.195 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1(C)C ZINC000463270300 502742319 /nfs/dbraw/zinc/74/23/19/502742319.db2.gz FZDFAIQALYXMBS-UGGKCQTMSA-N 2 1 360.542 3.195 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000477397678 502763756 /nfs/dbraw/zinc/76/37/56/502763756.db2.gz XUELHJHPYCZBDW-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918743 502775783 /nfs/dbraw/zinc/77/57/83/502775783.db2.gz IRBYNWXBBAXHOU-CUWPLCDZSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918743 502775789 /nfs/dbraw/zinc/77/57/89/502775789.db2.gz IRBYNWXBBAXHOU-CUWPLCDZSA-N 2 1 357.542 3.375 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)C[C@@H]1C ZINC000484918743 502775794 /nfs/dbraw/zinc/77/57/94/502775794.db2.gz IRBYNWXBBAXHOU-CUWPLCDZSA-N 2 1 357.542 3.375 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188344 502778884 /nfs/dbraw/zinc/77/88/84/502778884.db2.gz HHFILUITAIDJPD-WIYYLYMNSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188344 502778892 /nfs/dbraw/zinc/77/88/92/502778892.db2.gz HHFILUITAIDJPD-WIYYLYMNSA-N 2 1 357.542 3.183 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467075859 502780304 /nfs/dbraw/zinc/78/03/04/502780304.db2.gz QJNXUCZZXJOESV-MRXNPFEDSA-N 2 1 368.319 3.324 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000467075859 502780300 /nfs/dbraw/zinc/78/03/00/502780300.db2.gz QJNXUCZZXJOESV-MRXNPFEDSA-N 2 1 368.319 3.324 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000477487184 502786874 /nfs/dbraw/zinc/78/68/74/502786874.db2.gz JGBXTGPYTLZJGJ-CDHQVMDDSA-N 2 1 373.541 3.256 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@@H+]3Cc3ccccc3)CC2)CC1 ZINC000505123916 502855145 /nfs/dbraw/zinc/85/51/45/502855145.db2.gz OOTGNGQEVMEWLM-HRTMPFAESA-N 2 1 369.553 3.420 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+]3Cc3ccccc3)CC2)CC1 ZINC000505123916 502855147 /nfs/dbraw/zinc/85/51/47/502855147.db2.gz OOTGNGQEVMEWLM-HRTMPFAESA-N 2 1 369.553 3.420 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000501024921 502915171 /nfs/dbraw/zinc/91/51/71/502915171.db2.gz OVKGEXGBJIRAIT-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000501024921 502915177 /nfs/dbraw/zinc/91/51/77/502915177.db2.gz OVKGEXGBJIRAIT-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000501024921 502915181 /nfs/dbraw/zinc/91/51/81/502915181.db2.gz OVKGEXGBJIRAIT-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@@H+](CCOCCOc1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501039159 502919076 /nfs/dbraw/zinc/91/90/76/502919076.db2.gz LHOAXKGCDCUAAO-UHFFFAOYSA-N 2 1 369.509 3.325 20 0 FGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]2C ZINC000501051813 502923287 /nfs/dbraw/zinc/92/32/87/502923287.db2.gz LMOPCIDHVQPBTP-RTBURBONSA-N 2 1 359.558 3.419 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497507408 502975286 /nfs/dbraw/zinc/97/52/86/502975286.db2.gz SGOLDNGGCFLGRG-SCTDSRPQSA-N 2 1 353.457 3.122 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497507408 502975288 /nfs/dbraw/zinc/97/52/88/502975288.db2.gz SGOLDNGGCFLGRG-SCTDSRPQSA-N 2 1 353.457 3.122 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000513611881 502979556 /nfs/dbraw/zinc/97/95/56/502979556.db2.gz QHLLXDMGFDUAJY-BVYCBKJFSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000513611881 502979559 /nfs/dbraw/zinc/97/95/59/502979559.db2.gz QHLLXDMGFDUAJY-BVYCBKJFSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000513611881 502979563 /nfs/dbraw/zinc/97/95/63/502979563.db2.gz QHLLXDMGFDUAJY-BVYCBKJFSA-N 2 1 369.553 3.135 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C)ccc2o1 ZINC000505760265 502980608 /nfs/dbraw/zinc/98/06/08/502980608.db2.gz OHIFNCZQOKFPCT-SFHVURJKSA-N 2 1 357.498 3.229 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000513656261 502992506 /nfs/dbraw/zinc/99/25/06/502992506.db2.gz QYWTVYRKAJPXIN-ARFHVFGLSA-N 2 1 353.304 3.420 20 0 FGADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000489650171 503004484 /nfs/dbraw/zinc/00/44/84/503004484.db2.gz PXHVMZGCZIDPDE-WOJBJXKFSA-N 2 1 371.569 3.335 20 0 FGADMP CC1(C)CCc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)ccc2O1 ZINC000506000158 503026815 /nfs/dbraw/zinc/02/68/15/503026815.db2.gz WSAPVOANQWWIKG-UHFFFAOYSA-N 2 1 357.542 3.004 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489785837 503034333 /nfs/dbraw/zinc/03/43/33/503034333.db2.gz ADFZVMHSGYEKJS-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489810468 503040828 /nfs/dbraw/zinc/04/08/28/503040828.db2.gz XCVAUIKKKBPMIT-PMXSJFBMSA-N 2 1 372.557 3.069 20 0 FGADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCCC1 ZINC000489824500 503042437 /nfs/dbraw/zinc/04/24/37/503042437.db2.gz CWGMIWSIJKJMGF-UHFFFAOYSA-N 2 1 355.429 3.068 20 0 FGADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1OC(F)F)CC1CCCC1 ZINC000489824500 503042439 /nfs/dbraw/zinc/04/24/39/503042439.db2.gz CWGMIWSIJKJMGF-UHFFFAOYSA-N 2 1 355.429 3.068 20 0 FGADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000513892510 503043087 /nfs/dbraw/zinc/04/30/87/503043087.db2.gz AIISBISRRVKSEP-OAHLLOKOSA-N 2 1 371.447 3.252 20 0 FGADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000513892510 503043090 /nfs/dbraw/zinc/04/30/90/503043090.db2.gz AIISBISRRVKSEP-OAHLLOKOSA-N 2 1 371.447 3.252 20 0 FGADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000510313089 503090217 /nfs/dbraw/zinc/09/02/17/503090217.db2.gz MQEJONUNXYKZGD-HZPDHXFCSA-N 2 1 357.498 3.487 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1Oc1ccccc1 ZINC000514130129 503095541 /nfs/dbraw/zinc/09/55/41/503095541.db2.gz GTQVTSVVABHTPG-SFHVURJKSA-N 2 1 367.493 3.294 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000514133890 503095780 /nfs/dbraw/zinc/09/57/80/503095780.db2.gz DUTDSLFGRPKKTN-TZIWHRDSSA-N 2 1 374.573 3.409 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000514130176 503095801 /nfs/dbraw/zinc/09/58/01/503095801.db2.gz HMDMCYRGVBCNOJ-KDURUIRLSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000514130176 503095804 /nfs/dbraw/zinc/09/58/04/503095804.db2.gz HMDMCYRGVBCNOJ-KDURUIRLSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000514130176 503095808 /nfs/dbraw/zinc/09/58/08/503095808.db2.gz HMDMCYRGVBCNOJ-KDURUIRLSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC000510367905 503101328 /nfs/dbraw/zinc/10/13/28/503101328.db2.gz VIHLLTYCCDMFME-GOSISDBHSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+]1CCCCCC1 ZINC000510367905 503101333 /nfs/dbraw/zinc/10/13/33/503101333.db2.gz VIHLLTYCCDMFME-GOSISDBHSA-N 2 1 361.505 3.125 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000510426813 503112679 /nfs/dbraw/zinc/11/26/79/503112679.db2.gz QHIPTEIFJFWLKT-UHFFFAOYSA-N 2 1 365.477 3.356 20 0 FGADMP C[C@]1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC[NH2+]1 ZINC000510479662 503123145 /nfs/dbraw/zinc/12/31/45/503123145.db2.gz JNMNDFKYEZTFQP-FGZHOGPDSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000506934683 503196810 /nfs/dbraw/zinc/19/68/10/503196810.db2.gz PKQCQWPDQOEYGI-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)c1ncc(C[N@H+](C)CCCN2CCN(c3ccccc3)CC2)cn1 ZINC000510810244 503197437 /nfs/dbraw/zinc/19/74/37/503197437.db2.gz LXLGBUJUMDHXOK-UHFFFAOYSA-N 2 1 367.541 3.244 20 0 FGADMP CC(C)c1ncc(C[N@@H+](C)CCCN2CCN(c3ccccc3)CC2)cn1 ZINC000510810244 503197440 /nfs/dbraw/zinc/19/74/40/503197440.db2.gz LXLGBUJUMDHXOK-UHFFFAOYSA-N 2 1 367.541 3.244 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CCCCCC1 ZINC000498605694 503224362 /nfs/dbraw/zinc/22/43/62/503224362.db2.gz JHQFUCOGDBVMCN-HXUWFJFHSA-N 2 1 357.542 3.422 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000490860791 503237285 /nfs/dbraw/zinc/23/72/85/503237285.db2.gz IEFSSLLSKZIRPH-UHFFFAOYSA-N 2 1 360.546 3.204 20 0 FGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000502688363 503251412 /nfs/dbraw/zinc/25/14/12/503251412.db2.gz WCXMOHDHLPJGLV-KSEOMHKRSA-N 2 1 359.558 3.160 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054833 503265784 /nfs/dbraw/zinc/26/57/84/503265784.db2.gz DQXLJCODNPIELU-SFTDATJTSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054833 503265789 /nfs/dbraw/zinc/26/57/89/503265789.db2.gz DQXLJCODNPIELU-SFTDATJTSA-N 2 1 360.542 3.323 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000502835046 503284406 /nfs/dbraw/zinc/28/44/06/503284406.db2.gz YJNHJLAXJAAXNQ-UHFFFAOYSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000502876291 503295547 /nfs/dbraw/zinc/29/55/47/503295547.db2.gz MTJKRDNOVWUQOJ-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)CC[C@@H]3C)cc2)CC1 ZINC000502914005 503306542 /nfs/dbraw/zinc/30/65/42/503306542.db2.gz YIBAWRZTAZMLHQ-IBGZPJMESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000511564744 503344824 /nfs/dbraw/zinc/34/48/24/503344824.db2.gz GZSDCFQBNOJJRI-IGOJGBNBSA-N 2 1 362.468 3.394 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000511564744 503344829 /nfs/dbraw/zinc/34/48/29/503344829.db2.gz GZSDCFQBNOJJRI-IGOJGBNBSA-N 2 1 362.468 3.394 20 0 FGADMP CCOC[C@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094398 503345302 /nfs/dbraw/zinc/34/53/02/503345302.db2.gz PBZRWVGYZZNGOU-CVEARBPZSA-N 2 1 356.470 3.152 20 0 FGADMP CCOC[C@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094398 503345304 /nfs/dbraw/zinc/34/53/04/503345304.db2.gz PBZRWVGYZZNGOU-CVEARBPZSA-N 2 1 356.470 3.152 20 0 FGADMP CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511584263 503348727 /nfs/dbraw/zinc/34/87/27/503348727.db2.gz CZNODFMPHLNSJJ-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114946 503350023 /nfs/dbraw/zinc/35/00/23/503350023.db2.gz MCAJGXMJADHLSN-IBGZPJMESA-N 2 1 355.526 3.020 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114946 503350028 /nfs/dbraw/zinc/35/00/28/503350028.db2.gz MCAJGXMJADHLSN-IBGZPJMESA-N 2 1 355.526 3.020 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114946 503350032 /nfs/dbraw/zinc/35/00/32/503350032.db2.gz MCAJGXMJADHLSN-IBGZPJMESA-N 2 1 355.526 3.020 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000503185057 503362801 /nfs/dbraw/zinc/36/28/01/503362801.db2.gz PGIDXCYGIBLJPY-LJQANCHMSA-N 2 1 374.573 3.193 20 0 FGADMP O=C(NC[C@H](c1ccco1)N1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511651711 503363134 /nfs/dbraw/zinc/36/31/34/503363134.db2.gz ZQNWPXAOGTWWTP-WOJBJXKFSA-N 2 1 367.493 3.197 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677202 503367562 /nfs/dbraw/zinc/36/75/62/503367562.db2.gz HWARWAYOFKBGHD-UTKZUKDTSA-N 2 1 351.494 3.314 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000503226980 503372242 /nfs/dbraw/zinc/37/22/42/503372242.db2.gz UJXXVQCQEMRORZ-BZSNNMDCSA-N 2 1 351.922 3.368 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000503226980 503372243 /nfs/dbraw/zinc/37/22/43/503372243.db2.gz UJXXVQCQEMRORZ-BZSNNMDCSA-N 2 1 351.922 3.368 20 0 FGADMP CC(C)c1[nH+]c(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c2ccccn21 ZINC000515657595 503381075 /nfs/dbraw/zinc/38/10/75/503381075.db2.gz ADQMBLFIIUYVFG-QGZVFWFLSA-N 2 1 356.514 3.048 20 0 FGADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000507943567 503401580 /nfs/dbraw/zinc/40/15/80/503401580.db2.gz DYEPJPRNRCYEAU-KZNAEPCWSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000507943567 503401583 /nfs/dbraw/zinc/40/15/83/503401583.db2.gz DYEPJPRNRCYEAU-KZNAEPCWSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000507948903 503402289 /nfs/dbraw/zinc/40/22/89/503402289.db2.gz DYDRIHFUHCTMDD-LQWHRVPQSA-N 2 1 357.542 3.300 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000515802185 503403847 /nfs/dbraw/zinc/40/38/47/503403847.db2.gz SBTOMRJQJRGCGO-KDURUIRLSA-N 2 1 367.497 3.413 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000515838038 503410355 /nfs/dbraw/zinc/41/03/55/503410355.db2.gz MCGYPLPYWLJBRI-IBGZPJMESA-N 2 1 372.488 3.139 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000515838038 503410358 /nfs/dbraw/zinc/41/03/58/503410358.db2.gz MCGYPLPYWLJBRI-IBGZPJMESA-N 2 1 372.488 3.139 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000511920762 503416852 /nfs/dbraw/zinc/41/68/52/503416852.db2.gz RTYGDSYPLHMTFF-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)s1 ZINC000512016583 503435376 /nfs/dbraw/zinc/43/53/76/503435376.db2.gz STBAFSBGYPUGOU-KSSFIOAISA-N 2 1 364.584 3.439 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)s1 ZINC000512016583 503435382 /nfs/dbraw/zinc/43/53/82/503435382.db2.gz STBAFSBGYPUGOU-KSSFIOAISA-N 2 1 364.584 3.439 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508122677 503436409 /nfs/dbraw/zinc/43/64/09/503436409.db2.gz XIVFQFFXFRYGKM-OAQYLSRUSA-N 2 1 357.542 3.281 20 0 FGADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000516045997 503436558 /nfs/dbraw/zinc/43/65/58/503436558.db2.gz GEUNPIUILIMTFZ-FGTMMUONSA-N 2 1 370.946 3.014 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516048188 503436603 /nfs/dbraw/zinc/43/66/03/503436603.db2.gz FKRWVTCGNKCWFW-IAGOWNOFSA-N 2 1 354.922 3.324 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499660089 503451529 /nfs/dbraw/zinc/45/15/29/503451529.db2.gz PBIWQPHVOKDGDJ-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660089 503451537 /nfs/dbraw/zinc/45/15/37/503451537.db2.gz PBIWQPHVOKDGDJ-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660089 503451540 /nfs/dbraw/zinc/45/15/40/503451540.db2.gz PBIWQPHVOKDGDJ-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000493911669 503456692 /nfs/dbraw/zinc/45/66/92/503456692.db2.gz HTIAVMXOZIBMKO-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199877 503468698 /nfs/dbraw/zinc/46/86/98/503468698.db2.gz XSCOTVVIOLKSNP-CZUORRHYSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199877 503468701 /nfs/dbraw/zinc/46/87/01/503468701.db2.gz XSCOTVVIOLKSNP-CZUORRHYSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(I)c2)[C@H](C)C1 ZINC000516199877 503468705 /nfs/dbraw/zinc/46/87/05/503468705.db2.gz XSCOTVVIOLKSNP-CZUORRHYSA-N 2 1 372.294 3.453 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCSc2ccc(F)cc2)CC1 ZINC000516209454 503471646 /nfs/dbraw/zinc/47/16/46/503471646.db2.gz PBCYZPDBAAOCKU-UHFFFAOYSA-N 2 1 374.485 3.093 20 0 FGADMP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494068575 503483198 /nfs/dbraw/zinc/48/31/98/503483198.db2.gz IPQMOTRXIDFPPZ-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000512220875 503490346 /nfs/dbraw/zinc/49/03/46/503490346.db2.gz GLUKLPUKMKVIPQ-HXUWFJFHSA-N 2 1 369.513 3.026 20 0 FGADMP COC(=O)c1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)o1 ZINC000512236144 503494003 /nfs/dbraw/zinc/49/40/03/503494003.db2.gz FZXDRWLOBIIKSS-NRFANRHFSA-N 2 1 354.450 3.164 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000503986025 503504507 /nfs/dbraw/zinc/50/45/07/503504507.db2.gz ZFZXRMKRBLXWOG-IBGZPJMESA-N 2 1 354.583 3.259 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000516394663 503507031 /nfs/dbraw/zinc/50/70/31/503507031.db2.gz HUDYETDREPOTCP-KAGYGMCKSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)CC1 ZINC000512300914 503514094 /nfs/dbraw/zinc/51/40/94/503514094.db2.gz HLJGZHIMWBKQQQ-JOCHJYFZSA-N 2 1 357.542 3.029 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000512350696 503526923 /nfs/dbraw/zinc/52/69/23/503526923.db2.gz TWDKOJWAIWDZAQ-UTKZUKDTSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000504130424 503528454 /nfs/dbraw/zinc/52/84/54/503528454.db2.gz ZMKMPMSXIUIUPO-MISYRCLQSA-N 2 1 362.562 3.052 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416602 503543826 /nfs/dbraw/zinc/54/38/26/503543826.db2.gz ANHZPRKFLAZTNC-FPOVZHCZSA-N 2 1 374.573 3.269 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504325289 503556130 /nfs/dbraw/zinc/55/61/30/503556130.db2.gz OUWSMFPEHXITGM-SFTDATJTSA-N 2 1 370.541 3.099 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(=O)n1C ZINC000494530775 503558792 /nfs/dbraw/zinc/55/87/92/503558792.db2.gz XYAAGJGSRIYARZ-YPAWHYETSA-N 2 1 365.521 3.084 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000500130015 503561197 /nfs/dbraw/zinc/56/11/97/503561197.db2.gz BTKJDEUMQJCOON-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@H](NC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508852707 503578357 /nfs/dbraw/zinc/57/83/57/503578357.db2.gz NDJWLKYKWXFTFO-HFSMHLIXSA-N 2 1 372.557 3.051 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000516844289 503598328 /nfs/dbraw/zinc/59/83/28/503598328.db2.gz XRDNNVDBVFUFFI-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)C1 ZINC000582715080 506381598 /nfs/dbraw/zinc/38/15/98/506381598.db2.gz LAQDIDLMORPEFC-OPYAIIAOSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516959361 503631081 /nfs/dbraw/zinc/63/10/81/503631081.db2.gz LJTYAIKPIXTFOB-LAUBAEHRSA-N 2 1 372.557 3.248 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1 ZINC000540180711 503698213 /nfs/dbraw/zinc/69/82/13/503698213.db2.gz BGFGVYYLNXSJLB-UCLAIMLFSA-N 2 1 361.511 3.187 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](C)C1 ZINC000540221324 503716080 /nfs/dbraw/zinc/71/60/80/503716080.db2.gz DWLBJASSHKBWKK-UNEWFSDZSA-N 2 1 369.431 3.131 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@H](C)C1 ZINC000540221324 503716084 /nfs/dbraw/zinc/71/60/84/503716084.db2.gz DWLBJASSHKBWKK-UNEWFSDZSA-N 2 1 369.431 3.131 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299871 503716502 /nfs/dbraw/zinc/71/65/02/503716502.db2.gz FBGQNBITVBAZAK-SFHLNBCPSA-N 2 1 372.557 3.386 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000536851200 503741504 /nfs/dbraw/zinc/74/15/04/503741504.db2.gz JHGALQLOLWOILY-PKOBYXMFSA-N 2 1 365.468 3.089 20 0 FGADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394708 503751532 /nfs/dbraw/zinc/75/15/32/503751532.db2.gz ZGVXNBXORVPWPG-FUHWJXTLSA-N 2 1 369.513 3.093 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000543418283 503762332 /nfs/dbraw/zinc/76/23/32/503762332.db2.gz RZHCQVPREJWVGZ-CJNGLKHVSA-N 2 1 355.320 3.320 20 0 FGADMP CC(C)[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc2[nH]c(=O)oc2c1 ZINC000536998330 503773731 /nfs/dbraw/zinc/77/37/31/503773731.db2.gz PPYFGGDGIHTFBH-LJQANCHMSA-N 2 1 373.497 3.465 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458864 503779700 /nfs/dbraw/zinc/77/97/00/503779700.db2.gz NJTHTVQOHIXWSV-KPLVRAHFSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458864 503779705 /nfs/dbraw/zinc/77/97/05/503779705.db2.gz NJTHTVQOHIXWSV-KPLVRAHFSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458986 503780423 /nfs/dbraw/zinc/78/04/23/503780423.db2.gz MOXOAXSVILINGN-IRXDYDNUSA-N 2 1 356.514 3.375 20 0 FGADMP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000540519741 503803074 /nfs/dbraw/zinc/80/30/74/503803074.db2.gz ABPADLPRIQCOPO-LJQANCHMSA-N 2 1 363.933 3.468 20 0 FGADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000540519741 503803077 /nfs/dbraw/zinc/80/30/77/503803077.db2.gz ABPADLPRIQCOPO-LJQANCHMSA-N 2 1 363.933 3.468 20 0 FGADMP CC(C)[N@H+](Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118639 503807935 /nfs/dbraw/zinc/80/79/35/503807935.db2.gz WNEFAFNNWRLOPJ-FPOVZHCZSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118639 503807941 /nfs/dbraw/zinc/80/79/41/503807941.db2.gz WNEFAFNNWRLOPJ-FPOVZHCZSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)[NH+](Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1)C[C@@H]1CCCCO1 ZINC000537118639 503807945 /nfs/dbraw/zinc/80/79/45/503807945.db2.gz WNEFAFNNWRLOPJ-FPOVZHCZSA-N 2 1 373.541 3.356 20 0 FGADMP Cc1ccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000533408674 503834432 /nfs/dbraw/zinc/83/44/32/503834432.db2.gz CEVCXWUFNSMBDT-UHFFFAOYSA-N 2 1 374.529 3.004 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000540645220 503843071 /nfs/dbraw/zinc/84/30/71/503843071.db2.gz IHZJDYXHCORWLK-UHFFFAOYSA-N 2 1 350.388 3.243 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000517814462 503844581 /nfs/dbraw/zinc/84/45/81/503844581.db2.gz QEYCEIUCEIIXLY-QUCCMNQESA-N 2 1 361.530 3.352 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1cnc2c1CCCC2 ZINC000546719285 503849974 /nfs/dbraw/zinc/84/99/74/503849974.db2.gz LJOPLPHUYNQPSE-FQEVSTJZSA-N 2 1 368.525 3.035 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000546719285 503849986 /nfs/dbraw/zinc/84/99/86/503849986.db2.gz LJOPLPHUYNQPSE-FQEVSTJZSA-N 2 1 368.525 3.035 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccncc2Cl)[C@H](c2ccccc2)C1 ZINC000527636881 503869546 /nfs/dbraw/zinc/86/95/46/503869546.db2.gz FONWPSTXNBGYCF-FQEVSTJZSA-N 2 1 358.917 3.203 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527654867 503878030 /nfs/dbraw/zinc/87/80/30/503878030.db2.gz UTMYHLIPZQNSDS-NJYVYQBISA-N 2 1 357.542 3.280 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530217747 503880290 /nfs/dbraw/zinc/88/02/90/503880290.db2.gz HJFMWWAMTJLWIJ-IUODEOHRSA-N 2 1 355.404 3.297 20 0 FGADMP Brc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530240975 503889187 /nfs/dbraw/zinc/88/91/87/503889187.db2.gz OPDMFZKIFPKXAY-ZDUSSCGKSA-N 2 1 359.333 3.101 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676594 503891329 /nfs/dbraw/zinc/89/13/29/503891329.db2.gz UEDMCNSWCCIYLI-MSOLQXFVSA-N 2 1 372.431 3.181 20 0 FGADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530243300 503892094 /nfs/dbraw/zinc/89/20/94/503892094.db2.gz WWDVPGCKNRWOQR-FQEVSTJZSA-N 2 1 371.550 3.324 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527698770 503900800 /nfs/dbraw/zinc/90/08/00/503900800.db2.gz DGNRKCLKMOWIAY-AWEZNQCLSA-N 2 1 360.420 3.305 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(C(F)(F)F)c1 ZINC000527698770 503900802 /nfs/dbraw/zinc/90/08/02/503900802.db2.gz DGNRKCLKMOWIAY-AWEZNQCLSA-N 2 1 360.420 3.305 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ccncc1Cl ZINC000527719691 503913113 /nfs/dbraw/zinc/91/31/13/503913113.db2.gz JXAYCKPRKIBJNY-UYAOXDASSA-N 2 1 359.901 3.362 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(Cl)c2F)CC1 ZINC000546894895 503919580 /nfs/dbraw/zinc/91/95/80/503919580.db2.gz HPORBPJEFKSWCM-UHFFFAOYSA-N 2 1 366.799 3.017 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC000530336529 503930169 /nfs/dbraw/zinc/93/01/69/503930169.db2.gz CVSFWOKMVFJKPB-RHSMWYFYSA-N 2 1 368.905 3.295 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC000530336529 503930174 /nfs/dbraw/zinc/93/01/74/503930174.db2.gz CVSFWOKMVFJKPB-RHSMWYFYSA-N 2 1 368.905 3.295 20 0 FGADMP COc1ccc2nc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)[nH]c2n1 ZINC000546931859 503930731 /nfs/dbraw/zinc/93/07/31/503930731.db2.gz XEUQQXKCPORARW-UHFFFAOYSA-N 2 1 357.502 3.055 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540903809 503931759 /nfs/dbraw/zinc/93/17/59/503931759.db2.gz UUZJYNOCZRMIHF-GHTZIAJQSA-N 2 1 365.525 3.077 20 0 FGADMP C[C@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540903809 503931763 /nfs/dbraw/zinc/93/17/63/503931763.db2.gz UUZJYNOCZRMIHF-GHTZIAJQSA-N 2 1 365.525 3.077 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000518349054 503959326 /nfs/dbraw/zinc/95/93/26/503959326.db2.gz PAXRYJNWZJEAKQ-NVXWUHKLSA-N 2 1 360.889 3.397 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000533882430 503979031 /nfs/dbraw/zinc/97/90/31/503979031.db2.gz FQVQEAVYRZWBDM-QGZVFWFLSA-N 2 1 371.447 3.252 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000533882430 503979035 /nfs/dbraw/zinc/97/90/35/503979035.db2.gz FQVQEAVYRZWBDM-QGZVFWFLSA-N 2 1 371.447 3.252 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000518559550 504015987 /nfs/dbraw/zinc/01/59/87/504015987.db2.gz AVUOAVUGPBFAET-QFIPXVFZSA-N 2 1 365.521 3.277 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000518559550 504015990 /nfs/dbraw/zinc/01/59/90/504015990.db2.gz AVUOAVUGPBFAET-QFIPXVFZSA-N 2 1 365.521 3.277 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000518559550 504015993 /nfs/dbraw/zinc/01/59/93/504015993.db2.gz AVUOAVUGPBFAET-QFIPXVFZSA-N 2 1 365.521 3.277 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H]2C)[C@@H](C)C1 ZINC000518597841 504023154 /nfs/dbraw/zinc/02/31/54/504023154.db2.gz RXKAGRGFTIDIAN-MMKMLUHNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)[C@@H](C)C1 ZINC000518597841 504023160 /nfs/dbraw/zinc/02/31/60/504023160.db2.gz RXKAGRGFTIDIAN-MMKMLUHNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)[C@@H](C)C1 ZINC000518597841 504023165 /nfs/dbraw/zinc/02/31/65/504023165.db2.gz RXKAGRGFTIDIAN-MMKMLUHNSA-N 2 1 372.557 3.021 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000547281548 504046145 /nfs/dbraw/zinc/04/61/45/504046145.db2.gz DHTJSMIAOYKOBN-UHFFFAOYSA-N 2 1 370.541 3.489 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCc2ccccc2)CC1 ZINC000534126982 504047532 /nfs/dbraw/zinc/04/75/32/504047532.db2.gz UBKZFBSNFYYJKD-QFIPXVFZSA-N 2 1 371.569 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000534129142 504049027 /nfs/dbraw/zinc/04/90/27/504049027.db2.gz QFNIIMHCXLLNTF-MXQZZYIMSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000534129142 504049034 /nfs/dbraw/zinc/04/90/34/504049034.db2.gz QFNIIMHCXLLNTF-MXQZZYIMSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129142 504049038 /nfs/dbraw/zinc/04/90/38/504049038.db2.gz QFNIIMHCXLLNTF-MXQZZYIMSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129142 504049045 /nfs/dbraw/zinc/04/90/45/504049045.db2.gz QFNIIMHCXLLNTF-MXQZZYIMSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784207 504062910 /nfs/dbraw/zinc/06/29/10/504062910.db2.gz URRHRNFUGUJJTF-UGKGYDQZSA-N 2 1 372.553 3.320 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113084 504076632 /nfs/dbraw/zinc/07/66/32/504076632.db2.gz HRHLCVVZRIKRQR-YPAWHYETSA-N 2 1 371.569 3.239 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113084 504076641 /nfs/dbraw/zinc/07/66/41/504076641.db2.gz HRHLCVVZRIKRQR-YPAWHYETSA-N 2 1 371.569 3.239 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CC(C)C)C1 ZINC000528113084 504076650 /nfs/dbraw/zinc/07/66/50/504076650.db2.gz HRHLCVVZRIKRQR-YPAWHYETSA-N 2 1 371.569 3.239 20 0 FGADMP CC[C@@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)[N@H+](C)Cc1ccccc1 ZINC000518848548 504079396 /nfs/dbraw/zinc/07/93/96/504079396.db2.gz MEXIPLDVMZDNAK-FQEVSTJZSA-N 2 1 354.498 3.266 20 0 FGADMP CC[C@@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000518848548 504079403 /nfs/dbraw/zinc/07/94/03/504079403.db2.gz MEXIPLDVMZDNAK-FQEVSTJZSA-N 2 1 354.498 3.266 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000528152409 504095728 /nfs/dbraw/zinc/09/57/28/504095728.db2.gz ZVNHCEQPEONVOK-ROUUACIJSA-N 2 1 368.456 3.105 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351289 504102300 /nfs/dbraw/zinc/10/23/00/504102300.db2.gz XWQITUZRBBFNBU-PMPSAXMXSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351289 504102302 /nfs/dbraw/zinc/10/23/02/504102302.db2.gz XWQITUZRBBFNBU-PMPSAXMXSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351289 504102306 /nfs/dbraw/zinc/10/23/06/504102306.db2.gz XWQITUZRBBFNBU-PMPSAXMXSA-N 2 1 374.447 3.250 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2=CC[NH+](C)CC2)c1 ZINC000541436568 504128538 /nfs/dbraw/zinc/12/85/38/504128538.db2.gz IEZKXYHRSVCOOC-UHFFFAOYSA-N 2 1 363.505 3.310 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000519156763 504153138 /nfs/dbraw/zinc/15/31/38/504153138.db2.gz LHHRGNKXGKYEDW-QIJUGHKUSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003663 504159187 /nfs/dbraw/zinc/15/91/87/504159187.db2.gz HDIXIPWLZVAMSI-WOJBJXKFSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000531003663 504159191 /nfs/dbraw/zinc/15/91/91/504159191.db2.gz HDIXIPWLZVAMSI-WOJBJXKFSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000531003663 504159194 /nfs/dbraw/zinc/15/91/94/504159194.db2.gz HDIXIPWLZVAMSI-WOJBJXKFSA-N 2 1 364.578 3.061 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[NH+](CC)C1 ZINC000528306365 504161116 /nfs/dbraw/zinc/16/11/16/504161116.db2.gz GFDFHEMENSLUEX-YPAWHYETSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[N@H+](CC)C1 ZINC000528306365 504161124 /nfs/dbraw/zinc/16/11/24/504161124.db2.gz GFDFHEMENSLUEX-YPAWHYETSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000528306365 504161127 /nfs/dbraw/zinc/16/11/27/504161127.db2.gz GFDFHEMENSLUEX-YPAWHYETSA-N 2 1 371.569 3.383 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000531101648 504189105 /nfs/dbraw/zinc/18/91/05/504189105.db2.gz UREOESKOJQRJES-OAHLLOKOSA-N 2 1 350.890 3.275 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000531104676 504190689 /nfs/dbraw/zinc/19/06/89/504190689.db2.gz WHZVUKZNISGYEM-SFHVURJKSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000531104676 504190691 /nfs/dbraw/zinc/19/06/91/504190691.db2.gz WHZVUKZNISGYEM-SFHVURJKSA-N 2 1 361.461 3.413 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103505 504191053 /nfs/dbraw/zinc/19/10/53/504191053.db2.gz HZHZTWVTCDDWMD-YADHBBJMSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103505 504191055 /nfs/dbraw/zinc/19/10/55/504191055.db2.gz HZHZTWVTCDDWMD-YADHBBJMSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103505 504191060 /nfs/dbraw/zinc/19/10/60/504191060.db2.gz HZHZTWVTCDDWMD-YADHBBJMSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103505 504191063 /nfs/dbraw/zinc/19/10/63/504191063.db2.gz HZHZTWVTCDDWMD-YADHBBJMSA-N 2 1 358.526 3.170 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737334 504204628 /nfs/dbraw/zinc/20/46/28/504204628.db2.gz KVWXMXHCQHWVRT-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737334 504204631 /nfs/dbraw/zinc/20/46/31/504204631.db2.gz KVWXMXHCQHWVRT-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737334 504204636 /nfs/dbraw/zinc/20/46/36/504204636.db2.gz KVWXMXHCQHWVRT-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncc(-c4cccs4)o3)CC2)CC1 ZINC000541663878 504214070 /nfs/dbraw/zinc/21/40/70/504214070.db2.gz FZJCFANSLYMUEE-UHFFFAOYSA-N 2 1 374.554 3.253 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000531246350 504241551 /nfs/dbraw/zinc/24/15/51/504241551.db2.gz QBXPCVGZZPYFAB-MOPGFXCFSA-N 2 1 360.546 3.023 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000531286256 504252848 /nfs/dbraw/zinc/25/28/48/504252848.db2.gz RJNKXCLXPHPPCN-JOCHJYFZSA-N 2 1 365.521 3.145 20 0 FGADMP CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544818062 504268974 /nfs/dbraw/zinc/26/89/74/504268974.db2.gz ZMFDRVCUTMLBEF-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCCCNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967998 504296193 /nfs/dbraw/zinc/29/61/93/504296193.db2.gz WKZJJPSZAVWOCN-LJQANCHMSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1ccc2ccccc2c1 ZINC000519703194 504309205 /nfs/dbraw/zinc/30/92/05/504309205.db2.gz ZDAXRNHZYYIHEN-HXUWFJFHSA-N 2 1 353.466 3.154 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC2 ZINC000519711966 504312371 /nfs/dbraw/zinc/31/23/71/504312371.db2.gz SGVRLTADXARLOQ-QGZVFWFLSA-N 2 1 360.546 3.113 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528657043 504316938 /nfs/dbraw/zinc/31/69/38/504316938.db2.gz QOGKVXKAYRXDQB-OYNPSCLESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528657043 504316942 /nfs/dbraw/zinc/31/69/42/504316942.db2.gz QOGKVXKAYRXDQB-OYNPSCLESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528657043 504316946 /nfs/dbraw/zinc/31/69/46/504316946.db2.gz QOGKVXKAYRXDQB-OYNPSCLESA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccc(/C=C\CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000531478045 504322529 /nfs/dbraw/zinc/32/25/29/504322529.db2.gz MXSHQXKGQSXNSK-ARJAWSKDSA-N 2 1 350.466 3.184 20 0 FGADMP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000545210558 504397982 /nfs/dbraw/zinc/39/79/82/504397982.db2.gz HWNHORZPENQAIA-UHFFFAOYSA-N 2 1 366.571 3.211 20 0 FGADMP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000545210558 504397986 /nfs/dbraw/zinc/39/79/86/504397986.db2.gz HWNHORZPENQAIA-UHFFFAOYSA-N 2 1 366.571 3.211 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338234 504406840 /nfs/dbraw/zinc/40/68/40/504406840.db2.gz ZEOYWNYGVMBKCH-OALUTQOASA-N 2 1 369.509 3.065 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338234 504406841 /nfs/dbraw/zinc/40/68/41/504406841.db2.gz ZEOYWNYGVMBKCH-OALUTQOASA-N 2 1 369.509 3.065 20 0 FGADMP C[N@H+]1CCCC12CCN(C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267318 504431079 /nfs/dbraw/zinc/43/10/79/504431079.db2.gz LPXYUXDUYXRMIV-LJQANCHMSA-N 2 1 360.542 3.284 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267318 504431084 /nfs/dbraw/zinc/43/10/84/504431084.db2.gz LPXYUXDUYXRMIV-LJQANCHMSA-N 2 1 360.542 3.284 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267318 504431088 /nfs/dbraw/zinc/43/10/88/504431088.db2.gz LPXYUXDUYXRMIV-LJQANCHMSA-N 2 1 360.542 3.284 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000520211176 504435729 /nfs/dbraw/zinc/43/57/29/504435729.db2.gz WRRJZYDYRYXDLJ-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000520211176 504435734 /nfs/dbraw/zinc/43/57/34/504435734.db2.gz WRRJZYDYRYXDLJ-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000548442040 504447888 /nfs/dbraw/zinc/44/78/88/504447888.db2.gz XVVUEVCXIBKKOZ-FQEVSTJZSA-N 2 1 357.473 3.067 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000548442040 504447895 /nfs/dbraw/zinc/44/78/95/504447895.db2.gz XVVUEVCXIBKKOZ-FQEVSTJZSA-N 2 1 357.473 3.067 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000520272330 504451118 /nfs/dbraw/zinc/45/11/18/504451118.db2.gz YLXYLTZBVPBDMT-QUCCMNQESA-N 2 1 364.578 3.014 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1[C@@H]1C[C@@H]1c1ccccc1 ZINC000539085965 504467835 /nfs/dbraw/zinc/46/78/35/504467835.db2.gz AUNPHWYKJJVTEC-KSEOMHKRSA-N 2 1 367.537 3.140 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000528995546 504488056 /nfs/dbraw/zinc/48/80/56/504488056.db2.gz JCDCWRNMEOYKPU-VLCRHTCISA-N 2 1 369.553 3.301 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000528995546 504488060 /nfs/dbraw/zinc/48/80/60/504488060.db2.gz JCDCWRNMEOYKPU-VLCRHTCISA-N 2 1 369.553 3.301 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405814 504491309 /nfs/dbraw/zinc/49/13/09/504491309.db2.gz YHRNXXMZAXTCLL-QHAWAJNXSA-N 2 1 369.553 3.420 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405814 504491314 /nfs/dbraw/zinc/49/13/14/504491314.db2.gz YHRNXXMZAXTCLL-QHAWAJNXSA-N 2 1 369.553 3.420 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000531995370 504498189 /nfs/dbraw/zinc/49/81/89/504498189.db2.gz UGABKDQCMHELLM-HSQYWUDLSA-N 2 1 368.525 3.475 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000535668756 504501611 /nfs/dbraw/zinc/50/16/11/504501611.db2.gz ZRLARJNTVHXYLJ-IAGOWNOFSA-N 2 1 354.281 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000535668756 504501617 /nfs/dbraw/zinc/50/16/17/504501617.db2.gz ZRLARJNTVHXYLJ-IAGOWNOFSA-N 2 1 354.281 3.479 20 0 FGADMP CC(C)CNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535677581 504504531 /nfs/dbraw/zinc/50/45/31/504504531.db2.gz ZTOQZRAEUZOKDG-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000542476913 504505374 /nfs/dbraw/zinc/50/53/74/504505374.db2.gz HJZFWHDJDNXBBD-JOCHJYFZSA-N 2 1 370.516 3.317 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000542487449 504510621 /nfs/dbraw/zinc/51/06/21/504510621.db2.gz XZOMGEWZXRFVBO-WTIAFYNJSA-N 2 1 352.522 3.480 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506820 504518173 /nfs/dbraw/zinc/51/81/73/504518173.db2.gz RMUPPRIVHYVSBX-YESZJQIVSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506820 504518182 /nfs/dbraw/zinc/51/81/82/504518182.db2.gz RMUPPRIVHYVSBX-YESZJQIVSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506820 504518190 /nfs/dbraw/zinc/51/81/90/504518190.db2.gz RMUPPRIVHYVSBX-YESZJQIVSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccsc1 ZINC000520554636 504526567 /nfs/dbraw/zinc/52/65/67/504526567.db2.gz IUJDTDHEPFQIFC-GOSISDBHSA-N 2 1 366.575 3.305 20 0 FGADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000532075840 504527489 /nfs/dbraw/zinc/52/74/89/504527489.db2.gz VPMIFXLAHYMLPH-SVFBPWRDSA-N 2 1 374.573 3.393 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000545602366 504538835 /nfs/dbraw/zinc/53/88/35/504538835.db2.gz RRDZHDDDNRQMSV-FQEVSTJZSA-N 2 1 352.486 3.293 20 0 FGADMP CCC[C@H]1CN(C(=O)NC2CC[NH+](CC)CC2)CC[N@H+]1Cc1ccccc1 ZINC000539459147 504579001 /nfs/dbraw/zinc/57/90/01/504579001.db2.gz RJRVFMXHEGVPMH-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235629 504582654 /nfs/dbraw/zinc/58/26/54/504582654.db2.gz IEQKLGUHXLSUIK-PGRDOPGGSA-N 2 1 350.506 3.017 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000532243500 504583454 /nfs/dbraw/zinc/58/34/54/504583454.db2.gz LOQUXOVWVPOJMX-VSKRKVRLSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000532243500 504583460 /nfs/dbraw/zinc/58/34/60/504583460.db2.gz LOQUXOVWVPOJMX-VSKRKVRLSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000532243500 504583465 /nfs/dbraw/zinc/58/34/65/504583465.db2.gz LOQUXOVWVPOJMX-VSKRKVRLSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC[C@H]4CCCO4)CC[C@@H]32)cc1 ZINC000532243500 504583469 /nfs/dbraw/zinc/58/34/69/504583469.db2.gz LOQUXOVWVPOJMX-VSKRKVRLSA-N 2 1 358.526 3.169 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542758362 504597878 /nfs/dbraw/zinc/59/78/78/504597878.db2.gz ARLUIDINUROGPE-YQVWRLOYSA-N 2 1 364.578 3.011 20 0 FGADMP CN(CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784994 504609040 /nfs/dbraw/zinc/60/90/40/504609040.db2.gz KXLWLVMPSWBUAH-UYAOXDASSA-N 2 1 372.900 3.123 20 0 FGADMP CN(CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784994 504609045 /nfs/dbraw/zinc/60/90/45/504609045.db2.gz KXLWLVMPSWBUAH-UYAOXDASSA-N 2 1 372.900 3.123 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000542811933 504620240 /nfs/dbraw/zinc/62/02/40/504620240.db2.gz XFFKQRJHOQREDF-ZDFPQIBNSA-N 2 1 366.505 3.229 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000542811933 504620245 /nfs/dbraw/zinc/62/02/45/504620245.db2.gz XFFKQRJHOQREDF-ZDFPQIBNSA-N 2 1 366.505 3.229 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000532441735 504652292 /nfs/dbraw/zinc/65/22/92/504652292.db2.gz GVFBGTSLAJJTFN-NVXWUHKLSA-N 2 1 373.522 3.116 20 0 FGADMP CCn1nccc1CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000549063913 504672704 /nfs/dbraw/zinc/67/27/04/504672704.db2.gz QPFVRNQFZKIFTH-UHFFFAOYSA-N 2 1 352.526 3.434 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCc2ccccc21 ZINC000521193841 504675188 /nfs/dbraw/zinc/67/51/88/504675188.db2.gz VDDRJYVHWZNNBL-NRFANRHFSA-N 2 1 355.526 3.129 20 0 FGADMP C[N@H+](CCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000546015368 504675236 /nfs/dbraw/zinc/67/52/36/504675236.db2.gz SFLVGIPIYCLEQB-UHFFFAOYSA-N 2 1 373.541 3.154 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000546015368 504675241 /nfs/dbraw/zinc/67/52/41/504675241.db2.gz SFLVGIPIYCLEQB-UHFFFAOYSA-N 2 1 373.541 3.154 20 0 FGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000532537970 504686986 /nfs/dbraw/zinc/68/69/86/504686986.db2.gz BSCFASFBZDBMCL-UWJYYQICSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000532537970 504686990 /nfs/dbraw/zinc/68/69/90/504686990.db2.gz BSCFASFBZDBMCL-UWJYYQICSA-N 2 1 351.494 3.139 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000539825212 504706187 /nfs/dbraw/zinc/70/61/87/504706187.db2.gz NTPRGUSKPRLQCB-YLJYHZDGSA-N 2 1 355.526 3.453 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000539825210 504706366 /nfs/dbraw/zinc/70/63/66/504706366.db2.gz NTPRGUSKPRLQCB-XLIONFOSSA-N 2 1 355.526 3.453 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486021 504746118 /nfs/dbraw/zinc/74/61/18/504746118.db2.gz HHJHZWGTKBFCRJ-TZIWHRDSSA-N 2 1 357.542 3.135 20 0 FGADMP COc1coc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)cc1=O ZINC000536492815 504747865 /nfs/dbraw/zinc/74/78/65/504747865.db2.gz VBNWDVNACDWGMN-UHFFFAOYSA-N 2 1 368.477 3.137 20 0 FGADMP COc1coc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cc1=O ZINC000536492815 504747869 /nfs/dbraw/zinc/74/78/69/504747869.db2.gz VBNWDVNACDWGMN-UHFFFAOYSA-N 2 1 368.477 3.137 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccc(C)cc2)CC1)CC1CC1 ZINC000540050419 504766061 /nfs/dbraw/zinc/76/60/61/504766061.db2.gz SDPSNPILCNEEPY-UHFFFAOYSA-N 2 1 371.569 3.445 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000565072079 504787115 /nfs/dbraw/zinc/78/71/15/504787115.db2.gz ZGFZZAYRZVNCSC-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccc(F)cc1CN1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000556122829 504801540 /nfs/dbraw/zinc/80/15/40/504801540.db2.gz GSRQXGCETOQTHH-FQEVSTJZSA-N 2 1 363.521 3.215 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[NH+](CC2CCC2)CC1 ZINC000559256181 504810259 /nfs/dbraw/zinc/81/02/59/504810259.db2.gz IZMJQDCBUNZVIT-JOCHJYFZSA-N 2 1 369.553 3.233 20 0 FGADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000559256181 504810262 /nfs/dbraw/zinc/81/02/62/504810262.db2.gz IZMJQDCBUNZVIT-JOCHJYFZSA-N 2 1 369.553 3.233 20 0 FGADMP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000559256181 504810266 /nfs/dbraw/zinc/81/02/66/504810266.db2.gz IZMJQDCBUNZVIT-JOCHJYFZSA-N 2 1 369.553 3.233 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549402048 504810641 /nfs/dbraw/zinc/81/06/41/504810641.db2.gz CLHRMNREQQLHRR-UHFFFAOYSA-N 2 1 350.470 3.217 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(-n2cncn2)cc1)C1CC1 ZINC000549402048 504810645 /nfs/dbraw/zinc/81/06/45/504810645.db2.gz CLHRMNREQQLHRR-UHFFFAOYSA-N 2 1 350.470 3.217 20 0 FGADMP Cn1c2ccccc2cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1=O ZINC000565160217 504811274 /nfs/dbraw/zinc/81/12/74/504811274.db2.gz BXDCSMFANSZYIQ-SZPZYZBQSA-N 2 1 373.500 3.102 20 0 FGADMP Cn1c2ccccc2cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1=O ZINC000565160217 504811277 /nfs/dbraw/zinc/81/12/77/504811277.db2.gz BXDCSMFANSZYIQ-SZPZYZBQSA-N 2 1 373.500 3.102 20 0 FGADMP Cn1c2ccccc2cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1=O ZINC000565160217 504811280 /nfs/dbraw/zinc/81/12/80/504811280.db2.gz BXDCSMFANSZYIQ-SZPZYZBQSA-N 2 1 373.500 3.102 20 0 FGADMP COc1cccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000559260737 504811407 /nfs/dbraw/zinc/81/14/07/504811407.db2.gz APMAIRCJLTYXPB-GHTZIAJQSA-N 2 1 373.541 3.213 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)[C@@H]1c1ccccc1 ZINC000553211739 504853677 /nfs/dbraw/zinc/85/36/77/504853677.db2.gz FDWSGGPNCHNJAA-URVUXULASA-N 2 1 374.488 3.493 20 0 FGADMP O=C(C[N@H+]1CC[C@@H](CC2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000559410796 504855987 /nfs/dbraw/zinc/85/59/87/504855987.db2.gz IMHZBVNDODHGCL-NRFANRHFSA-N 2 1 355.526 3.021 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000559548550 504884687 /nfs/dbraw/zinc/88/46/87/504884687.db2.gz NEYXHBWCUYCMCW-KNQAVFIVSA-N 2 1 374.488 3.461 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)nn1 ZINC000559787856 504927962 /nfs/dbraw/zinc/92/79/62/504927962.db2.gz QGPPGMJRVAEGGP-QHAWAJNXSA-N 2 1 365.525 3.179 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)nn1 ZINC000559787856 504927968 /nfs/dbraw/zinc/92/79/68/504927968.db2.gz QGPPGMJRVAEGGP-QHAWAJNXSA-N 2 1 365.525 3.179 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750853 504933481 /nfs/dbraw/zinc/93/34/81/504933481.db2.gz XJVAFEFMKHQJCJ-KRWDZBQOSA-N 2 1 353.495 3.302 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553510652 504935802 /nfs/dbraw/zinc/93/58/02/504935802.db2.gz GOEZDKJTDYYLDT-QFUCXCTJSA-N 2 1 373.516 3.123 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000565612181 504937400 /nfs/dbraw/zinc/93/74/00/504937400.db2.gz IVARMDNVUJGXMV-PZJWPPBQSA-N 2 1 369.484 3.289 20 0 FGADMP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1=O ZINC000559913381 504950005 /nfs/dbraw/zinc/95/00/05/504950005.db2.gz KIVJKLRCLDYYHT-ASGNMKHESA-N 2 1 355.526 3.029 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000550128074 504972642 /nfs/dbraw/zinc/97/26/42/504972642.db2.gz XOPOBDJOHCHGRV-SFTDATJTSA-N 2 1 353.510 3.316 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000562939787 504994804 /nfs/dbraw/zinc/99/48/04/504994804.db2.gz WFNMNRHTTPEQFK-OHLDOZIISA-N 2 1 369.553 3.168 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000565827809 505000277 /nfs/dbraw/zinc/00/02/77/505000277.db2.gz IYKXMBVZCSAQBH-INMHGKMJSA-N 2 1 350.528 3.194 20 0 FGADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)c1 ZINC000562959124 505000638 /nfs/dbraw/zinc/00/06/38/505000638.db2.gz VGIFJPIHLWLILN-HSALFYBXSA-N 2 1 371.456 3.260 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000565862058 505008435 /nfs/dbraw/zinc/00/84/35/505008435.db2.gz TYIXVMVIHSCCAW-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621082 505074968 /nfs/dbraw/zinc/07/49/68/505074968.db2.gz BPDIIDCRSVCVPH-LAUBAEHRSA-N 2 1 352.478 3.001 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621082 505074975 /nfs/dbraw/zinc/07/49/75/505074975.db2.gz BPDIIDCRSVCVPH-LAUBAEHRSA-N 2 1 352.478 3.001 20 0 FGADMP CCC[N@H+](C[C@H]1CCCC[C@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218072 505078797 /nfs/dbraw/zinc/07/87/97/505078797.db2.gz VSXKKGNYWMHPQD-UYAOXDASSA-N 2 1 360.546 3.325 20 0 FGADMP CCC[N@@H+](C[C@H]1CCCC[C@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218072 505078801 /nfs/dbraw/zinc/07/88/01/505078801.db2.gz VSXKKGNYWMHPQD-UYAOXDASSA-N 2 1 360.546 3.325 20 0 FGADMP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000554072035 505081524 /nfs/dbraw/zinc/08/15/24/505081524.db2.gz OZAVCZNIJFFLEW-AQNXPRMDSA-N 2 1 357.542 3.298 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000550665289 505082109 /nfs/dbraw/zinc/08/21/09/505082109.db2.gz HDTCCWUGZRNDPK-PXNSSMCTSA-N 2 1 371.912 3.495 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000550665289 505082111 /nfs/dbraw/zinc/08/21/11/505082111.db2.gz HDTCCWUGZRNDPK-PXNSSMCTSA-N 2 1 371.912 3.495 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000557179973 505085861 /nfs/dbraw/zinc/08/58/61/505085861.db2.gz SJOLZZOJXUDRMT-NSHDSACASA-N 2 1 366.259 3.109 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000557199784 505091677 /nfs/dbraw/zinc/09/16/77/505091677.db2.gz IEKIIXJTGRRTOU-SFHVURJKSA-N 2 1 366.937 3.022 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000566151331 505098383 /nfs/dbraw/zinc/09/83/83/505098383.db2.gz WPSGHIUVUJCBOH-SFHVURJKSA-N 2 1 363.505 3.061 20 0 FGADMP COc1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)ccc1C ZINC000557338046 505110093 /nfs/dbraw/zinc/11/00/93/505110093.db2.gz NNIVRBBBYQUILL-KRWDZBQOSA-N 2 1 356.470 3.018 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000557339608 505111063 /nfs/dbraw/zinc/11/10/63/505111063.db2.gz XFCHLAGATKUSHR-YJBOKZPZSA-N 2 1 361.511 3.430 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000560528779 505116525 /nfs/dbraw/zinc/11/65/25/505116525.db2.gz KRZVHVRTFMGRMF-MHTWAQMVSA-N 2 1 360.567 3.135 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@H]21 ZINC000566244230 505121779 /nfs/dbraw/zinc/12/17/79/505121779.db2.gz DYTULJOCZOVBKE-VMBXEPDQSA-N 2 1 355.526 3.093 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@H]21 ZINC000566244230 505121782 /nfs/dbraw/zinc/12/17/82/505121782.db2.gz DYTULJOCZOVBKE-VMBXEPDQSA-N 2 1 355.526 3.093 20 0 FGADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554250758 505124796 /nfs/dbraw/zinc/12/47/96/505124796.db2.gz VFISUZOYMYKJFJ-VWPQPMDRSA-N 2 1 370.924 3.307 20 0 FGADMP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554250758 505124801 /nfs/dbraw/zinc/12/48/01/505124801.db2.gz VFISUZOYMYKJFJ-VWPQPMDRSA-N 2 1 370.924 3.307 20 0 FGADMP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554250758 505124803 /nfs/dbraw/zinc/12/48/03/505124803.db2.gz VFISUZOYMYKJFJ-VWPQPMDRSA-N 2 1 370.924 3.307 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000563375880 505126119 /nfs/dbraw/zinc/12/61/19/505126119.db2.gz GSTJOOLSMYAUBL-KRWDZBQOSA-N 2 1 369.513 3.071 20 0 FGADMP Clc1cc(Cl)c2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cn2c1 ZINC000566304172 505140223 /nfs/dbraw/zinc/14/02/23/505140223.db2.gz RFTFMLVXIUPVNN-ZDUSSCGKSA-N 2 1 353.297 3.463 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000551004875 505141336 /nfs/dbraw/zinc/14/13/36/505141336.db2.gz ACTPQYNSEQPHCS-SZMVWBNQSA-N 2 1 355.448 3.296 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000551004875 505141340 /nfs/dbraw/zinc/14/13/40/505141340.db2.gz ACTPQYNSEQPHCS-SZMVWBNQSA-N 2 1 355.448 3.296 20 0 FGADMP C[C@@H](C[NH+]1CCC(C)CC1)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563443843 505143143 /nfs/dbraw/zinc/14/31/43/505143143.db2.gz WYFYVAKQRXRJNZ-FQEVSTJZSA-N 2 1 372.601 3.427 20 0 FGADMP C[NH+](C)C[C@H](NC1CC[NH+](Cc2ccncc2)CC1)c1ccc(F)cc1 ZINC000554372497 505157773 /nfs/dbraw/zinc/15/77/73/505157773.db2.gz MKHKWNLBZFGZLH-NRFANRHFSA-N 2 1 356.489 3.078 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000566398463 505163954 /nfs/dbraw/zinc/16/39/54/505163954.db2.gz ZKHDNOWHWMKTDD-IAGOWNOFSA-N 2 1 366.575 3.305 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccco1 ZINC000557577166 505172747 /nfs/dbraw/zinc/17/27/47/505172747.db2.gz RWJIDSAPMPUKGL-WOJBJXKFSA-N 2 1 369.509 3.301 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554450147 505176409 /nfs/dbraw/zinc/17/64/09/505176409.db2.gz TZAACEUYQLVFNM-HXUWFJFHSA-N 2 1 372.513 3.046 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccccc4C[C@H]3C)CC2)CC1 ZINC000566445098 505178701 /nfs/dbraw/zinc/17/87/01/505178701.db2.gz NQAJKVKHPJJBRC-GOSISDBHSA-N 2 1 369.553 3.156 20 0 FGADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000566480853 505187181 /nfs/dbraw/zinc/18/71/81/505187181.db2.gz BFEWCIQQDLNXOD-CMKODMSKSA-N 2 1 358.507 3.039 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000563618017 505194015 /nfs/dbraw/zinc/19/40/15/505194015.db2.gz VJBZRVLVJFNFRZ-SWLSCSKDSA-N 2 1 372.296 3.164 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000560877853 505205506 /nfs/dbraw/zinc/20/55/06/505205506.db2.gz QVLBTXRCEVETPB-RRFJBIMHSA-N 2 1 365.484 3.132 20 0 FGADMP OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000560909280 505209560 /nfs/dbraw/zinc/20/95/60/505209560.db2.gz KAIDOZVTWZBVFF-QFIPXVFZSA-N 2 1 374.475 3.165 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOCC(F)(F)F)CC2)cc1 ZINC000560899304 505209619 /nfs/dbraw/zinc/20/96/19/505209619.db2.gz HDJWTLMPEGMCBU-UHFFFAOYSA-N 2 1 362.411 3.391 20 0 FGADMP CCOC1CC([NH+](C)Cc2cncc(C[N@H+](C)C3CC(OCC)C3)c2)C1 ZINC000566660143 505235838 /nfs/dbraw/zinc/23/58/38/505235838.db2.gz JYZBGJQOBMARBD-UHFFFAOYSA-N 2 1 361.530 3.080 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561047840 505237571 /nfs/dbraw/zinc/23/75/71/505237571.db2.gz VQJQXJYYUJYTSA-FQEVSTJZSA-N 2 1 356.514 3.251 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557853184 505246325 /nfs/dbraw/zinc/24/63/25/505246325.db2.gz YFOISFJQUJZIKA-GUDVDZBRSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803019 505312613 /nfs/dbraw/zinc/31/26/13/505312613.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H](N(C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803019 505312618 /nfs/dbraw/zinc/31/26/18/505312618.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803019 505312620 /nfs/dbraw/zinc/31/26/20/505312620.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803019 505312625 /nfs/dbraw/zinc/31/26/25/505312625.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803019 505312628 /nfs/dbraw/zinc/31/26/28/505312628.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803019 505312631 /nfs/dbraw/zinc/31/26/31/505312631.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797105 505274848 /nfs/dbraw/zinc/27/48/48/505274848.db2.gz VUXPNEJCZMGGNO-SXLOBPIMSA-N 2 1 365.521 3.339 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554864811 505284775 /nfs/dbraw/zinc/28/47/75/505284775.db2.gz GLBGILBWCVFRRQ-WIYYLYMNSA-N 2 1 363.505 3.424 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699480 505285083 /nfs/dbraw/zinc/28/50/83/505285083.db2.gz DHQDCZYUZVAXPY-QFIPXVFZSA-N 2 1 359.558 3.082 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000554874117 505287367 /nfs/dbraw/zinc/28/73/67/505287367.db2.gz BFTUBFFPCCUZNJ-UHFFFAOYSA-N 2 1 369.962 3.216 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC(C[NH3+])CC1)C1CCCCC1 ZINC000566844838 505289387 /nfs/dbraw/zinc/28/93/87/505289387.db2.gz LAHMPRLEZBZYDV-UHFFFAOYSA-N 2 1 372.557 3.331 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000554914222 505298174 /nfs/dbraw/zinc/29/81/74/505298174.db2.gz DYMSLIAATYHDRN-UHFFFAOYSA-N 2 1 372.557 3.170 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803019 505312609 /nfs/dbraw/zinc/31/26/09/505312609.db2.gz DEPXWZGIGYNDAC-DOMZBBRYSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc2c(c1)OCC(=O)N2 ZINC000552034051 505376736 /nfs/dbraw/zinc/37/67/36/505376736.db2.gz BEKLFWGRXZZZPI-MRXNPFEDSA-N 2 1 353.466 3.190 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c1 ZINC000558415963 505383081 /nfs/dbraw/zinc/38/30/81/505383081.db2.gz FSYVQRXQMQACKM-YPAWHYETSA-N 2 1 364.489 3.473 20 0 FGADMP Cc1ccc(OC(F)F)c(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000558418960 505383944 /nfs/dbraw/zinc/38/39/44/505383944.db2.gz MCMKUXTWWSNRJK-UHFFFAOYSA-N 2 1 355.473 3.054 20 0 FGADMP Cc1ccc(OC(F)F)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000558418960 505383946 /nfs/dbraw/zinc/38/39/46/505383946.db2.gz MCMKUXTWWSNRJK-UHFFFAOYSA-N 2 1 355.473 3.054 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228724 505401397 /nfs/dbraw/zinc/40/13/97/505401397.db2.gz RGNQTMZSKPACRN-JKSUJKDBSA-N 2 1 355.486 3.417 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228724 505401400 /nfs/dbraw/zinc/40/14/00/505401400.db2.gz RGNQTMZSKPACRN-JKSUJKDBSA-N 2 1 355.486 3.417 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCCc3ccccc3)CC2)CC1 ZINC000567247803 505407891 /nfs/dbraw/zinc/40/78/91/505407891.db2.gz RLGHBAZOPXAPBE-UHFFFAOYSA-N 2 1 371.569 3.274 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC2CC[NH+](CC)CC2)CC[N@H+]1Cc1ccccc1 ZINC000564403920 505409950 /nfs/dbraw/zinc/40/99/50/505409950.db2.gz ULUSSRPGPLLSHG-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(O)cc(C(F)(F)F)c1 ZINC000564414903 505413387 /nfs/dbraw/zinc/41/33/87/505413387.db2.gz JMZDPLRUKIWFJZ-UHFFFAOYSA-N 2 1 369.387 3.036 20 0 FGADMP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000552306355 505456351 /nfs/dbraw/zinc/45/63/51/505456351.db2.gz VZAACBRZHWPXIP-NRFANRHFSA-N 2 1 353.510 3.318 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccs2)CC1 ZINC000558745503 505480972 /nfs/dbraw/zinc/48/09/72/505480972.db2.gz AZCGLUKIBPNIAR-UHFFFAOYSA-N 2 1 371.550 3.269 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccs2)CC1 ZINC000558745503 505480976 /nfs/dbraw/zinc/48/09/76/505480976.db2.gz AZCGLUKIBPNIAR-UHFFFAOYSA-N 2 1 371.550 3.269 20 0 FGADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OC ZINC000552392652 505481121 /nfs/dbraw/zinc/48/11/21/505481121.db2.gz WZOOPEMFGZURRW-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1OC ZINC000552392652 505481127 /nfs/dbraw/zinc/48/11/27/505481127.db2.gz WZOOPEMFGZURRW-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1OC ZINC000552392652 505481131 /nfs/dbraw/zinc/48/11/31/505481131.db2.gz WZOOPEMFGZURRW-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1OC ZINC000552392652 505481135 /nfs/dbraw/zinc/48/11/35/505481135.db2.gz WZOOPEMFGZURRW-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)[N@H+]1CCCC[C@H]1C ZINC000567515842 505485398 /nfs/dbraw/zinc/48/53/98/505485398.db2.gz DISSCYYAJLERAC-LVFSCSRESA-N 2 1 363.933 3.022 20 0 FGADMP CC[N@H+](CCC1CC[NH+](Cc2nnc3n2CCCCC3)CC1)CC1CC1 ZINC000552441142 505492878 /nfs/dbraw/zinc/49/28/78/505492878.db2.gz OOFRJRXWDMJABK-UHFFFAOYSA-N 2 1 359.562 3.339 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc3n2CCCCC3)CC1)CC1CC1 ZINC000552441142 505492883 /nfs/dbraw/zinc/49/28/83/505492883.db2.gz OOFRJRXWDMJABK-UHFFFAOYSA-N 2 1 359.562 3.339 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Cl)cc1Cl ZINC000567605914 505512157 /nfs/dbraw/zinc/51/21/57/505512157.db2.gz KLQMETYVFLTSSJ-UYSNPLJNSA-N 2 1 373.324 3.340 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000562138646 505526930 /nfs/dbraw/zinc/52/69/30/505526930.db2.gz FFWMZPJBPZWXKP-GGPKGHCWSA-N 2 1 360.546 3.016 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000567678580 505533264 /nfs/dbraw/zinc/53/32/64/505533264.db2.gz WOJSZYSZXZHJQO-YLJYHZDGSA-N 2 1 372.557 3.116 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC[C@@H](O)C[N@H+]3CCc4ccccc4C3)ccc21 ZINC000567706550 505544335 /nfs/dbraw/zinc/54/43/35/505544335.db2.gz WBHUBIHCDFRIKX-FYYLOGMGSA-N 2 1 365.521 3.067 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000567713033 505546320 /nfs/dbraw/zinc/54/63/20/505546320.db2.gz BSGHNNRTGJWBTL-INIZCTEOSA-N 2 1 362.493 3.103 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567890725 505570286 /nfs/dbraw/zinc/57/02/86/505570286.db2.gz AUVDIRHZMFEHKG-VBQJREDUSA-N 2 1 370.324 3.011 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300101 506402795 /nfs/dbraw/zinc/40/27/95/506402795.db2.gz NBGCBAPHDOJQSJ-IDYZSHNDSA-N 2 1 368.562 3.056 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300101 506402797 /nfs/dbraw/zinc/40/27/97/506402797.db2.gz NBGCBAPHDOJQSJ-IDYZSHNDSA-N 2 1 368.562 3.056 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300101 506402802 /nfs/dbraw/zinc/40/28/02/506402802.db2.gz NBGCBAPHDOJQSJ-IDYZSHNDSA-N 2 1 368.562 3.056 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000589197650 506479244 /nfs/dbraw/zinc/47/92/44/506479244.db2.gz HYBQNCSIWOKXNA-INIZCTEOSA-N 2 1 350.890 3.290 20 0 FGADMP CCOC(=O)C1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OCC)cc2)CC1 ZINC000596652009 506511478 /nfs/dbraw/zinc/51/14/78/506511478.db2.gz WSCBKVMIYFVBQO-OWQMCBFZSA-N 2 1 374.525 3.242 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608414573 506550080 /nfs/dbraw/zinc/55/00/80/506550080.db2.gz LKKJNKADIZTAAX-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3[nH]nc4ccccc43)c2)CCO1 ZINC000589644585 506617796 /nfs/dbraw/zinc/61/77/96/506617796.db2.gz UPZJJHSALJYJIC-INIZCTEOSA-N 2 1 350.466 3.073 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3[nH]nc4ccccc43)c2)CCO1 ZINC000589644585 506617802 /nfs/dbraw/zinc/61/78/02/506617802.db2.gz UPZJJHSALJYJIC-INIZCTEOSA-N 2 1 350.466 3.073 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645614 506646117 /nfs/dbraw/zinc/64/61/17/506646117.db2.gz QAKDVLUUKLHNTL-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000608674014 506658829 /nfs/dbraw/zinc/65/88/29/506658829.db2.gz NEMVRGDDQZGNER-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608674014 506658832 /nfs/dbraw/zinc/65/88/32/506658832.db2.gz NEMVRGDDQZGNER-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608674014 506658841 /nfs/dbraw/zinc/65/88/41/506658841.db2.gz NEMVRGDDQZGNER-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673339 506659150 /nfs/dbraw/zinc/65/91/50/506659150.db2.gz OLSDHCQQXHGOAG-CTNGQTDRSA-N 2 1 372.557 3.040 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccc(C)cc21 ZINC000608673415 506659367 /nfs/dbraw/zinc/65/93/67/506659367.db2.gz OLSDHCQQXHGOAG-TZIWHRDSSA-N 2 1 372.557 3.040 20 0 FGADMP C[C@@H](NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693367 506668477 /nfs/dbraw/zinc/66/84/77/506668477.db2.gz PWDDOPOZTXNQEA-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)c(I)c1 ZINC000583304725 506706076 /nfs/dbraw/zinc/70/60/76/506706076.db2.gz FMIPDFWMZIHWDY-JTQLQIEISA-N 2 1 373.213 3.057 20 0 FGADMP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C(C)C ZINC000604080635 506706780 /nfs/dbraw/zinc/70/67/80/506706780.db2.gz LVVNZZIRMDXGTP-HXUWFJFHSA-N 2 1 360.546 3.069 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000604090871 506711447 /nfs/dbraw/zinc/71/14/47/506711447.db2.gz JNHWFXWIHGLBHL-GOTSBHOMSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000604090871 506711452 /nfs/dbraw/zinc/71/14/52/506711452.db2.gz JNHWFXWIHGLBHL-GOTSBHOMSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090871 506711459 /nfs/dbraw/zinc/71/14/59/506711459.db2.gz JNHWFXWIHGLBHL-GOTSBHOMSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090871 506711461 /nfs/dbraw/zinc/71/14/61/506711461.db2.gz JNHWFXWIHGLBHL-GOTSBHOMSA-N 2 1 352.522 3.495 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189274 506744073 /nfs/dbraw/zinc/74/40/73/506744073.db2.gz XNQVDVMIHDWUHH-AZUAARDMSA-N 2 1 360.546 3.243 20 0 FGADMP COC[C@H]1CCCC[NH+]1Cc1cncc(C[N@@H+]2CCCC[C@@H]2COC)c1 ZINC000583422668 506770102 /nfs/dbraw/zinc/77/01/02/506770102.db2.gz WWZOYJWRDPVTPP-NHCUHLMSSA-N 2 1 361.530 3.083 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000590354107 506802076 /nfs/dbraw/zinc/80/20/76/506802076.db2.gz LKRULCVOVBUPHM-HXUWFJFHSA-N 2 1 360.546 3.197 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000590354107 506802082 /nfs/dbraw/zinc/80/20/82/506802082.db2.gz LKRULCVOVBUPHM-HXUWFJFHSA-N 2 1 360.546 3.197 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491481 506808261 /nfs/dbraw/zinc/80/82/61/506808261.db2.gz YWSKTVTVJDTPMV-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491481 506808267 /nfs/dbraw/zinc/80/82/67/506808267.db2.gz YWSKTVTVJDTPMV-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491481 506808273 /nfs/dbraw/zinc/80/82/73/506808273.db2.gz YWSKTVTVJDTPMV-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP COC(=O)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185956 506828866 /nfs/dbraw/zinc/82/88/66/506828866.db2.gz VTIXYMCERSJNJE-XMSQKQJNSA-N 2 1 366.505 3.402 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128596 506930535 /nfs/dbraw/zinc/93/05/35/506930535.db2.gz HNLXALGLGTXDAE-KNQAVFIVSA-N 2 1 371.569 3.130 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000600473863 506961686 /nfs/dbraw/zinc/96/16/86/506961686.db2.gz SDJHSNGGIIWMCY-OAQYLSRUSA-N 2 1 372.557 3.066 20 0 FGADMP Cc1ccc2[nH]c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2c1C ZINC000604863955 506968326 /nfs/dbraw/zinc/96/83/26/506968326.db2.gz PSKWKDLEVRUBGD-UHFFFAOYSA-N 2 1 363.465 3.184 20 0 FGADMP COc1ccc(-c2nc(CN3CCC(C[N@@H+](C)C(C)C)CC3)no2)cc1 ZINC000590818864 506979819 /nfs/dbraw/zinc/97/98/19/506979819.db2.gz CKYDWHKUHCOIOJ-UHFFFAOYSA-N 2 1 358.486 3.297 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000590819045 506980139 /nfs/dbraw/zinc/98/01/39/506980139.db2.gz VCMSAYYREIKYGS-GMAHTHKFSA-N 2 1 374.569 3.494 20 0 FGADMP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000583802320 506982756 /nfs/dbraw/zinc/98/27/56/506982756.db2.gz QKSKCKBTBVCRDT-YHELAOLJSA-N 2 1 372.557 3.371 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cccc(C(F)(F)F)c1 ZINC000583990305 507091050 /nfs/dbraw/zinc/09/10/50/507091050.db2.gz SHRZOEDDDFJZEM-OFLPRAFFSA-N 2 1 372.431 3.052 20 0 FGADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000591083675 507107685 /nfs/dbraw/zinc/10/76/85/507107685.db2.gz ZCWAOVJXAPCCIL-JTHBVZDNSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000591083675 507107689 /nfs/dbraw/zinc/10/76/89/507107689.db2.gz ZCWAOVJXAPCCIL-JTHBVZDNSA-N 2 1 373.585 3.331 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000605202573 507108695 /nfs/dbraw/zinc/10/86/95/507108695.db2.gz MREXHLGDEPZEDA-FXAWDEMLSA-N 2 1 374.529 3.074 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000613493171 507116714 /nfs/dbraw/zinc/11/67/14/507116714.db2.gz YGJAFGUAAGSOPF-CMKODMSKSA-N 2 1 351.579 3.371 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000613493215 507117227 /nfs/dbraw/zinc/11/72/27/507117227.db2.gz ZBTCVKONTXNTEI-GOSISDBHSA-N 2 1 357.542 3.408 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000584044202 507119938 /nfs/dbraw/zinc/11/99/38/507119938.db2.gz FTVRVUBJVFIQAD-HXUWFJFHSA-N 2 1 353.466 3.107 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc2ccccc2c1 ZINC000584044202 507119944 /nfs/dbraw/zinc/11/99/44/507119944.db2.gz FTVRVUBJVFIQAD-HXUWFJFHSA-N 2 1 353.466 3.107 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3[nH]nc4ccccc43)CC2)oc1C ZINC000600816020 507134028 /nfs/dbraw/zinc/13/40/28/507134028.db2.gz NRQMOTQVCLONTI-UHFFFAOYSA-N 2 1 353.470 3.170 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000605339826 507153871 /nfs/dbraw/zinc/15/38/71/507153871.db2.gz QMJCUSWCLSNLCC-UXHICEINSA-N 2 1 374.529 3.156 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000584195135 507205683 /nfs/dbraw/zinc/20/56/83/507205683.db2.gz OJWLDXJJSKNMFM-UHFFFAOYSA-N 2 1 369.509 3.415 20 0 FGADMP C[C@H](C(=O)Nc1cccc([C@@H](C)N2CCOCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000591463178 507260041 /nfs/dbraw/zinc/26/00/41/507260041.db2.gz ASJUCURFCDZIPR-XMTFNYHQSA-N 2 1 359.514 3.280 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584289825 507261525 /nfs/dbraw/zinc/26/15/25/507261525.db2.gz LEJIORBAZAJTQC-HKUYNNGSSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000584289825 507261535 /nfs/dbraw/zinc/26/15/35/507261535.db2.gz LEJIORBAZAJTQC-HKUYNNGSSA-N 2 1 367.896 3.120 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000605843881 507287819 /nfs/dbraw/zinc/28/78/19/507287819.db2.gz DCZLYGZHCATISH-KRWDZBQOSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000605843881 507287827 /nfs/dbraw/zinc/28/78/27/507287827.db2.gz DCZLYGZHCATISH-KRWDZBQOSA-N 2 1 372.557 3.212 20 0 FGADMP C[N@@H+](CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCCC1 ZINC000591627346 507317492 /nfs/dbraw/zinc/31/74/92/507317492.db2.gz CLWKRGJLIVETTD-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000601338733 507338830 /nfs/dbraw/zinc/33/88/30/507338830.db2.gz BGOVUEJVZIVRTO-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000601338733 507338835 /nfs/dbraw/zinc/33/88/35/507338835.db2.gz BGOVUEJVZIVRTO-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000601338733 507338838 /nfs/dbraw/zinc/33/88/38/507338838.db2.gz BGOVUEJVZIVRTO-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP Ic1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000594993438 507345059 /nfs/dbraw/zinc/34/50/59/507345059.db2.gz GJYIBLVTSSZGTK-CVEARBPZSA-N 2 1 370.278 3.050 20 0 FGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000584529002 507395836 /nfs/dbraw/zinc/39/58/36/507395836.db2.gz JUFBZXFTZHHCTI-LRVNENBYSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C[C@@H]2CNc3ccnn3C2)cc1 ZINC000595140647 507407149 /nfs/dbraw/zinc/40/71/49/507407149.db2.gz LZUWJAUUPFBRPP-FXAWDEMLSA-N 2 1 353.514 3.089 20 0 FGADMP CC[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000602127394 507601682 /nfs/dbraw/zinc/60/16/82/507601682.db2.gz NBAKWDGGDUOPJC-NHCUHLMSSA-N 2 1 359.558 3.130 20 0 FGADMP C[N@@H+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000607358488 507699418 /nfs/dbraw/zinc/69/94/18/507699418.db2.gz NLKBPERSSBANLM-MOPGFXCFSA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358488 507699423 /nfs/dbraw/zinc/69/94/23/507699423.db2.gz NLKBPERSSBANLM-MOPGFXCFSA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358488 507699427 /nfs/dbraw/zinc/69/94/27/507699427.db2.gz NLKBPERSSBANLM-MOPGFXCFSA-N 2 1 365.521 3.429 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000607358514 507701299 /nfs/dbraw/zinc/70/12/99/507701299.db2.gz XGDFHEZRCPZXRS-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000607358514 507701304 /nfs/dbraw/zinc/70/13/04/507701304.db2.gz XGDFHEZRCPZXRS-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358514 507701307 /nfs/dbraw/zinc/70/13/07/507701307.db2.gz XGDFHEZRCPZXRS-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602465913 507718407 /nfs/dbraw/zinc/71/84/07/507718407.db2.gz RZLUYUROHNGOKN-SFHVURJKSA-N 2 1 355.448 3.003 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[nH+]c1 ZINC000510530275 561837789 /nfs/dbraw/zinc/83/77/89/561837789.db2.gz ASEUCXUSLNXBEQ-QGZVFWFLSA-N 2 1 361.534 3.002 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)[nH+]c1 ZINC000510530275 561837790 /nfs/dbraw/zinc/83/77/90/561837790.db2.gz ASEUCXUSLNXBEQ-QGZVFWFLSA-N 2 1 361.534 3.002 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669117751 568033291 /nfs/dbraw/zinc/03/32/91/568033291.db2.gz FHPGJABTWLDWIY-PXNSSMCTSA-N 2 1 358.530 3.002 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1CN1CCOCC1 ZINC000643251549 568333982 /nfs/dbraw/zinc/33/39/82/568333982.db2.gz OTVHXLJPXZPNIU-FGZHOGPDSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251549 568333983 /nfs/dbraw/zinc/33/39/83/568333983.db2.gz OTVHXLJPXZPNIU-FGZHOGPDSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@H](C[C@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251549 568333984 /nfs/dbraw/zinc/33/39/84/568333984.db2.gz OTVHXLJPXZPNIU-FGZHOGPDSA-N 2 1 358.526 3.157 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399394 599314834 /nfs/dbraw/zinc/31/48/34/599314834.db2.gz JKYRDWCWWYAADV-HZPDHXFCSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399394 599314836 /nfs/dbraw/zinc/31/48/36/599314836.db2.gz JKYRDWCWWYAADV-HZPDHXFCSA-N 2 1 363.469 3.065 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)CC1CC1 ZINC000825419197 608882437 /nfs/dbraw/zinc/88/24/37/608882437.db2.gz KNIWABOPSOURDF-UHFFFAOYSA-N 2 1 368.529 3.201 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824532597 609350477 /nfs/dbraw/zinc/35/04/77/609350477.db2.gz VQRPMYHSEBKWRO-OFQRWUPVSA-N 2 1 372.492 3.309 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000120819354 700660439 /nfs/dbraw/zinc/66/04/39/700660439.db2.gz HRYSCZXKMDDBHS-SFHVURJKSA-N 2 1 353.551 3.201 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccnc3Cl)cn2)CC1 ZINC000159489189 705225311 /nfs/dbraw/zinc/22/53/11/705225311.db2.gz ZMAPWDPNJRTJJX-HNNXBMFYSA-N 2 1 359.905 3.123 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cc1 ZINC000165744995 705340441 /nfs/dbraw/zinc/34/04/41/705340441.db2.gz TXUPNRCSKVYVLB-GOSISDBHSA-N 2 1 354.560 3.271 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178739054 705674443 /nfs/dbraw/zinc/67/44/43/705674443.db2.gz VFCHGKDAKPRCKI-GOSISDBHSA-N 2 1 351.535 3.226 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248665804 713655899 /nfs/dbraw/zinc/65/58/99/713655899.db2.gz MMHOTVFDRAABDQ-YLJYHZDGSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3cscc3Br)CC2)CC1 ZINC000285620841 713764471 /nfs/dbraw/zinc/76/44/71/713764471.db2.gz ZIZWJHDMPKTSHP-UHFFFAOYSA-N 2 1 372.376 3.159 20 0 FGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000314284785 713804732 /nfs/dbraw/zinc/80/47/32/713804732.db2.gz VGEZVKUUDATCFB-UHFFFAOYSA-N 2 1 351.292 3.304 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000317840126 713808232 /nfs/dbraw/zinc/80/82/32/713808232.db2.gz XKUCNGNQDCSYBR-DQVOVIAYSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000317840126 713808236 /nfs/dbraw/zinc/80/82/36/713808236.db2.gz XKUCNGNQDCSYBR-DQVOVIAYSA-N 2 1 365.315 3.148 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000375082196 713965560 /nfs/dbraw/zinc/96/55/60/713965560.db2.gz RMZBHACIEKEGKN-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000386011721 713984512 /nfs/dbraw/zinc/98/45/12/713984512.db2.gz UXVJQDIRSMEWHU-SJORKVTESA-N 2 1 351.535 3.240 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1(F)F ZINC000414309687 714003904 /nfs/dbraw/zinc/00/39/04/714003904.db2.gz YKNDOBXARXSSHX-QXCZDIPSSA-N 2 1 350.453 3.320 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H]1c1ccccc1 ZINC000453241281 714057406 /nfs/dbraw/zinc/05/74/06/714057406.db2.gz UEQDSLSUOSSWIC-HFPIOELMSA-N 2 1 364.555 3.015 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@H]1c1ccccc1 ZINC000453241281 714057410 /nfs/dbraw/zinc/05/74/10/714057410.db2.gz UEQDSLSUOSSWIC-HFPIOELMSA-N 2 1 364.555 3.015 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CC(c3ccccc3Cl)C2)CC1 ZINC000510693883 714125973 /nfs/dbraw/zinc/12/59/73/714125973.db2.gz UMMGJUQBWVUYQW-UHFFFAOYSA-N 2 1 363.933 3.118 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(Cl)c1 ZINC000522052331 714167235 /nfs/dbraw/zinc/16/72/35/714167235.db2.gz RVQGPZCTEHQYTD-INIZCTEOSA-N 2 1 351.922 3.368 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000523005304 714216370 /nfs/dbraw/zinc/21/63/70/714216370.db2.gz PJEUUHARGYLOCP-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000523603262 714243081 /nfs/dbraw/zinc/24/30/81/714243081.db2.gz KNXJUBZDFNDEGX-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-c1ccccc1 ZINC000617504355 714663539 /nfs/dbraw/zinc/66/35/39/714663539.db2.gz RFYVHFVYNBIQQM-INIZCTEOSA-N 2 1 359.539 3.417 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1-c1ccccc1 ZINC000617504355 714663540 /nfs/dbraw/zinc/66/35/40/714663540.db2.gz RFYVHFVYNBIQQM-INIZCTEOSA-N 2 1 359.539 3.417 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cscc2C(F)(F)F)CC1 ZINC000622789266 715092334 /nfs/dbraw/zinc/09/23/34/715092334.db2.gz HEGQUVKIWCZHKY-UHFFFAOYSA-N 2 1 370.400 3.166 20 0 FGADMP Brc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)[C@@H]2CCCO2)cc1 ZINC000643545115 718038736 /nfs/dbraw/zinc/03/87/36/718038736.db2.gz UZRZPQVKLUGKTJ-DLBZAZTESA-N 2 1 353.304 3.401 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396343 715327005 /nfs/dbraw/zinc/32/70/05/715327005.db2.gz PCZRERHOGGFLFH-HZPDHXFCSA-N 2 1 351.922 3.390 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420823 715332672 /nfs/dbraw/zinc/33/26/72/715332672.db2.gz PLOLFAQKLYQSOZ-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000623871318 715419631 /nfs/dbraw/zinc/41/96/31/715419631.db2.gz BBGJZKPSWFBNRN-AWEZNQCLSA-N 2 1 355.320 3.255 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624119929 715476709 /nfs/dbraw/zinc/47/67/09/715476709.db2.gz MUSDEQNEROJJHX-CABCVRRESA-N 2 1 367.921 3.387 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120662 715477630 /nfs/dbraw/zinc/47/76/30/715477630.db2.gz DPCQKGXKXCDBMD-IAGOWNOFSA-N 2 1 365.949 3.399 20 0 FGADMP Fc1cc2[nH]cc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c2cc1Cl ZINC000624291283 715505778 /nfs/dbraw/zinc/50/57/78/715505778.db2.gz OYHIZSSHRPTXLM-OAHLLOKOSA-N 2 1 365.880 3.346 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccs1 ZINC000624548436 715554225 /nfs/dbraw/zinc/55/42/25/715554225.db2.gz OSQSEEDQWVVBFR-IRXDYDNUSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629523825 716302689 /nfs/dbraw/zinc/30/26/89/716302689.db2.gz JUHXOPXTZIQSIM-ABAIWWIYSA-N 2 1 371.344 3.330 20 0 FGADMP [NH3+]CCCOCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(F)cc1 ZINC000629536040 716304493 /nfs/dbraw/zinc/30/44/93/716304493.db2.gz DQWPJKCVUZOEAT-MRXNPFEDSA-N 2 1 371.250 3.226 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1C(F)(F)F ZINC000629566747 716309931 /nfs/dbraw/zinc/30/99/31/716309931.db2.gz NVWLRMJWMNZYKA-VXGBXAGGSA-N 2 1 374.432 3.190 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1C(F)(F)F ZINC000629566747 716309935 /nfs/dbraw/zinc/30/99/35/716309935.db2.gz NVWLRMJWMNZYKA-VXGBXAGGSA-N 2 1 374.432 3.190 20 0 FGADMP Clc1cc(Br)ccc1[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000629581005 716310646 /nfs/dbraw/zinc/31/06/46/716310646.db2.gz JQNDGEXQERNCFU-MRXNPFEDSA-N 2 1 372.738 3.145 20 0 FGADMP Clc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000629581005 716310651 /nfs/dbraw/zinc/31/06/51/716310651.db2.gz JQNDGEXQERNCFU-MRXNPFEDSA-N 2 1 372.738 3.145 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(Br)cc1Cl ZINC000631063535 716557891 /nfs/dbraw/zinc/55/78/91/716557891.db2.gz LZMKHBPGXICDHE-JTQLQIEISA-N 2 1 357.683 3.428 20 0 FGADMP Cc1csc(CCCC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634703070 717109136 /nfs/dbraw/zinc/10/91/36/717109136.db2.gz PBPCTBSYSCBPET-HXUWFJFHSA-N 2 1 359.539 3.001 20 0 FGADMP Cc1csc(CCCC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634703070 717109138 /nfs/dbraw/zinc/10/91/38/717109138.db2.gz PBPCTBSYSCBPET-HXUWFJFHSA-N 2 1 359.539 3.001 20 0 FGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000638672476 717474813 /nfs/dbraw/zinc/47/48/13/717474813.db2.gz ZDZCTBFKDFHIPR-YQVWRLOYSA-N 2 1 352.544 3.162 20 0 FGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000638672476 717474819 /nfs/dbraw/zinc/47/48/19/717474819.db2.gz ZDZCTBFKDFHIPR-YQVWRLOYSA-N 2 1 352.544 3.162 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534730 717761199 /nfs/dbraw/zinc/76/11/99/717761199.db2.gz UBEHDGZREVKXQZ-KRWDZBQOSA-N 2 1 352.544 3.349 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534730 717761203 /nfs/dbraw/zinc/76/12/03/717761203.db2.gz UBEHDGZREVKXQZ-KRWDZBQOSA-N 2 1 352.544 3.349 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC000644564584 718125179 /nfs/dbraw/zinc/12/51/79/718125179.db2.gz HTVFOMXMKXMHDN-GOSISDBHSA-N 2 1 350.865 3.104 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC000644564584 718125184 /nfs/dbraw/zinc/12/51/84/718125184.db2.gz HTVFOMXMKXMHDN-GOSISDBHSA-N 2 1 350.865 3.104 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000644581771 718128510 /nfs/dbraw/zinc/12/85/10/718128510.db2.gz GYCHRPIWOTYMPA-UHFFFAOYSA-N 2 1 367.921 3.148 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292498 718275731 /nfs/dbraw/zinc/27/57/31/718275731.db2.gz IWUHJPWEOIMJOO-UCLAIMLFSA-N 2 1 367.896 3.263 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292498 718275733 /nfs/dbraw/zinc/27/57/33/718275733.db2.gz IWUHJPWEOIMJOO-UCLAIMLFSA-N 2 1 367.896 3.263 20 0 FGADMP CC(C)([NH3+])CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497118 718289263 /nfs/dbraw/zinc/28/92/63/718289263.db2.gz PAJFKHUDNOTZSD-UHFFFAOYSA-N 2 1 358.313 3.201 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977945 718391589 /nfs/dbraw/zinc/39/15/89/718391589.db2.gz KBGZJEWXBYJADM-IKGGRYGDSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977945 718391592 /nfs/dbraw/zinc/39/15/92/718391592.db2.gz KBGZJEWXBYJADM-IKGGRYGDSA-N 2 1 350.507 3.015 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977188 718391706 /nfs/dbraw/zinc/39/17/06/718391706.db2.gz YYASMCWWABRDNH-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1cc(Cl)ccc1F ZINC000647977188 718391707 /nfs/dbraw/zinc/39/17/07/718391707.db2.gz YYASMCWWABRDNH-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP FC(F)Oc1cccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647990201 718392845 /nfs/dbraw/zinc/39/28/45/718392845.db2.gz FJOWHOAVCFUOKJ-SFHVURJKSA-N 2 1 354.441 3.441 20 0 FGADMP FC(F)Oc1cccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647990201 718392848 /nfs/dbraw/zinc/39/28/48/718392848.db2.gz FJOWHOAVCFUOKJ-SFHVURJKSA-N 2 1 354.441 3.441 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1Cl ZINC000648724379 718446791 /nfs/dbraw/zinc/44/67/91/718446791.db2.gz VXFMPNMQTZYCOU-RKVPGOIHSA-N 2 1 351.922 3.179 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342908 718505660 /nfs/dbraw/zinc/50/56/60/718505660.db2.gz WVNUZGYUDYIYEJ-RBUKOAKNSA-N 2 1 357.885 3.073 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706202 718716911 /nfs/dbraw/zinc/71/69/11/718716911.db2.gz GIQFWVDDIIZFOO-MCIONIFRSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723726 718721105 /nfs/dbraw/zinc/72/11/05/718721105.db2.gz SJEHPAMWESFKBN-KURKYZTESA-N 2 1 350.890 3.136 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347014 718934914 /nfs/dbraw/zinc/93/49/14/718934914.db2.gz OEPSJTZWPOYKSQ-KVSKMBFKSA-N 2 1 352.906 3.327 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349259 718935365 /nfs/dbraw/zinc/93/53/65/718935365.db2.gz IHUFIZDGMMDCRB-LESCRADOSA-N 2 1 361.511 3.430 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000652352598 718935757 /nfs/dbraw/zinc/93/57/57/718935757.db2.gz CUDVNTWEJDXNOT-IWEFOYFVSA-N 2 1 368.308 3.160 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350991 718935973 /nfs/dbraw/zinc/93/59/73/718935973.db2.gz CIWKLRIUJNFEMU-KSSFIOAISA-N 2 1 370.324 3.013 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652350991 718935974 /nfs/dbraw/zinc/93/59/74/718935974.db2.gz CIWKLRIUJNFEMU-KSSFIOAISA-N 2 1 370.324 3.013 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361664 718936829 /nfs/dbraw/zinc/93/68/29/718936829.db2.gz LXPKQQBRJXTVMN-NXHRZFHOSA-N 2 1 365.905 3.029 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2Cl)C1 ZINC000652363639 718937341 /nfs/dbraw/zinc/93/73/41/718937341.db2.gz JWYONGVTZRXCBD-HFTRVMKXSA-N 2 1 356.869 3.219 20 0 FGADMP Cc1[nH+]c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)cc2[nH]ccc21 ZINC001164653548 719314271 /nfs/dbraw/zinc/31/42/71/719314271.db2.gz VFJRNPXPUHXUSL-UHFFFAOYSA-N 2 1 352.486 3.273 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1Cl ZINC000655729508 719330701 /nfs/dbraw/zinc/33/07/01/719330701.db2.gz BGJDKGGGUXMXLN-RDJZCZTQSA-N 2 1 352.906 3.340 20 0 FGADMP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738035 719332623 /nfs/dbraw/zinc/33/26/23/719332623.db2.gz HJELCZGHDUXBBV-MDYRTPRTSA-N 2 1 350.478 3.135 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657432729 719649068 /nfs/dbraw/zinc/64/90/68/719649068.db2.gz QENRHYRCLDHTSK-GOSISDBHSA-N 2 1 353.491 3.153 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc4ccncc4s3)cc2)C1 ZINC000657595143 719680749 /nfs/dbraw/zinc/68/07/49/719680749.db2.gz FOAMPTGDFQJURF-GOSISDBHSA-N 2 1 353.491 3.153 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979902 719967120 /nfs/dbraw/zinc/96/71/20/719967120.db2.gz YUJONOCLRYQJQX-APWZRJJASA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979902 719967125 /nfs/dbraw/zinc/96/71/25/719967125.db2.gz YUJONOCLRYQJQX-APWZRJJASA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979902 719967129 /nfs/dbraw/zinc/96/71/29/719967129.db2.gz YUJONOCLRYQJQX-APWZRJJASA-N 2 1 359.539 3.153 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498146 720061492 /nfs/dbraw/zinc/06/14/92/720061492.db2.gz XARLSIHWJHBIBE-SFHVURJKSA-N 2 1 365.587 3.363 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498146 720061496 /nfs/dbraw/zinc/06/14/96/720061496.db2.gz XARLSIHWJHBIBE-SFHVURJKSA-N 2 1 365.587 3.363 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498146 720061509 /nfs/dbraw/zinc/06/15/09/720061509.db2.gz XARLSIHWJHBIBE-SFHVURJKSA-N 2 1 365.587 3.363 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291695 720411154 /nfs/dbraw/zinc/41/11/54/720411154.db2.gz XMXXHNUAMWWELH-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1F ZINC000662296765 720411571 /nfs/dbraw/zinc/41/15/71/720411571.db2.gz NAOMRSOJQWUTHZ-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cc(Cl)ccc1F ZINC000662296765 720411574 /nfs/dbraw/zinc/41/15/74/720411574.db2.gz NAOMRSOJQWUTHZ-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314130 720414627 /nfs/dbraw/zinc/41/46/27/720414627.db2.gz NATSDPYDVUYPQB-KBAYOESNSA-N 2 1 363.571 3.423 20 0 FGADMP CC12CC(C1)C[N@@H+]2CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662380699 720423274 /nfs/dbraw/zinc/42/32/74/720423274.db2.gz JSHFMIMIZFHIMF-RVSXGSNBSA-N 2 1 361.917 3.077 20 0 FGADMP CC12CC(C1)C[N@H+]2CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000662380699 720423276 /nfs/dbraw/zinc/42/32/76/720423276.db2.gz JSHFMIMIZFHIMF-RVSXGSNBSA-N 2 1 361.917 3.077 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000662393334 720424476 /nfs/dbraw/zinc/42/44/76/720424476.db2.gz QHCMFGFUWUDRLC-WBMJQRKESA-N 2 1 358.313 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662513413 720437156 /nfs/dbraw/zinc/43/71/56/720437156.db2.gz VVDSNSDVTCTNIF-OMWUSAIZSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662513413 720437158 /nfs/dbraw/zinc/43/71/58/720437158.db2.gz VVDSNSDVTCTNIF-OMWUSAIZSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512890 720437307 /nfs/dbraw/zinc/43/73/07/720437307.db2.gz MPZQXWKSKRPIKX-AEFFLSMTSA-N 2 1 355.885 3.117 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512890 720437308 /nfs/dbraw/zinc/43/73/08/720437308.db2.gz MPZQXWKSKRPIKX-AEFFLSMTSA-N 2 1 355.885 3.117 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662532708 720439321 /nfs/dbraw/zinc/43/93/21/720439321.db2.gz DWSLXZYCAWUTKN-BLLLJJGKSA-N 2 1 358.313 3.197 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662532712 720439375 /nfs/dbraw/zinc/43/93/75/720439375.db2.gz DWSLXZYCAWUTKN-MLGOLLRUSA-N 2 1 358.313 3.197 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000663455093 720516649 /nfs/dbraw/zinc/51/66/49/720516649.db2.gz FJNLEWLYMPTHNR-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000663455093 720516651 /nfs/dbraw/zinc/51/66/51/720516651.db2.gz FJNLEWLYMPTHNR-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838057 720540279 /nfs/dbraw/zinc/54/02/79/720540279.db2.gz NTCSGWNWXPVVFI-WSTZPKSXSA-N 2 1 369.513 3.055 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000665759095 720813861 /nfs/dbraw/zinc/81/38/61/720813861.db2.gz ZJSMVAMPYNISGZ-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]1c1ccc(Cl)cc1 ZINC000665759095 720813865 /nfs/dbraw/zinc/81/38/65/720813865.db2.gz ZJSMVAMPYNISGZ-MAUKXSAKSA-N 2 1 366.937 3.068 20 0 FGADMP Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000666341852 720920854 /nfs/dbraw/zinc/92/08/54/720920854.db2.gz ANEXFUVEQIDEPJ-AWEZNQCLSA-N 2 1 369.579 3.044 20 0 FGADMP Cc1nc(CC(C)C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000666341852 720920856 /nfs/dbraw/zinc/92/08/56/720920856.db2.gz ANEXFUVEQIDEPJ-AWEZNQCLSA-N 2 1 369.579 3.044 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667564519 721129052 /nfs/dbraw/zinc/12/90/52/721129052.db2.gz OLTXEYAJGKEMMO-IAGOWNOFSA-N 2 1 358.555 3.287 20 0 FGADMP Cc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)cc1N ZINC001164796741 721499511 /nfs/dbraw/zinc/49/95/11/721499511.db2.gz WOPGJTGNOVCXDW-UHFFFAOYSA-N 2 1 351.498 3.248 20 0 FGADMP COc1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1 ZINC001164937312 721921181 /nfs/dbraw/zinc/92/11/81/721921181.db2.gz BSBCSGRLODTULG-UHFFFAOYSA-N 2 1 367.493 3.270 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000700802281 722409762 /nfs/dbraw/zinc/40/97/62/722409762.db2.gz HJQNIIVBGHLZJY-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc12 ZINC000728571589 722452577 /nfs/dbraw/zinc/45/25/77/722452577.db2.gz GFLCRXUBUROUBW-UHFFFAOYSA-N 2 1 363.937 3.482 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000732888694 722490038 /nfs/dbraw/zinc/49/00/38/722490038.db2.gz YYFNDVQUZFYVET-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP COCCn1c(C)c(C)n(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1=S ZINC000738089559 722528454 /nfs/dbraw/zinc/52/84/54/722528454.db2.gz MBDZZMGVGGXGDH-UHFFFAOYSA-N 2 1 368.591 3.292 20 0 FGADMP COCCn1c(C)c(C)n(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1=S ZINC000738089559 722528455 /nfs/dbraw/zinc/52/84/55/722528455.db2.gz MBDZZMGVGGXGDH-UHFFFAOYSA-N 2 1 368.591 3.292 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385390 722545269 /nfs/dbraw/zinc/54/52/69/722545269.db2.gz FTDWORQIJDDYIO-BXWFABGCSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385390 722545270 /nfs/dbraw/zinc/54/52/70/722545270.db2.gz FTDWORQIJDDYIO-BXWFABGCSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385390 722545271 /nfs/dbraw/zinc/54/52/71/722545271.db2.gz FTDWORQIJDDYIO-BXWFABGCSA-N 2 1 354.922 3.052 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000747955210 722669273 /nfs/dbraw/zinc/66/92/73/722669273.db2.gz ORYGAQZVEOAEJW-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP S=C1SCCN1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000762499463 723248512 /nfs/dbraw/zinc/24/85/12/723248512.db2.gz IPAIPVHWPACDCH-UHFFFAOYSA-N 2 1 361.580 3.266 20 0 FGADMP S=C1SCCN1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000762499463 723248516 /nfs/dbraw/zinc/24/85/16/723248516.db2.gz IPAIPVHWPACDCH-UHFFFAOYSA-N 2 1 361.580 3.266 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618040 723356063 /nfs/dbraw/zinc/35/60/63/723356063.db2.gz ZFSJABXKAKXIGI-SFHVURJKSA-N 2 1 353.551 3.440 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000767382434 723616984 /nfs/dbraw/zinc/61/69/84/723616984.db2.gz JMZINBCURVPIJZ-QGZVFWFLSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000767382434 723616985 /nfs/dbraw/zinc/61/69/85/723616985.db2.gz JMZINBCURVPIJZ-QGZVFWFLSA-N 2 1 350.507 3.208 20 0 FGADMP CC(C)(C)OC(=O)NCC1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000796263046 723629204 /nfs/dbraw/zinc/62/92/04/723629204.db2.gz FLTUHRAIHULEMA-AQFXKWCLSA-N 2 1 351.535 3.144 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000796699869 723650870 /nfs/dbraw/zinc/65/08/70/723650870.db2.gz BFYVILBNYQXYDT-KRWDZBQOSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000796699869 723650871 /nfs/dbraw/zinc/65/08/71/723650871.db2.gz BFYVILBNYQXYDT-KRWDZBQOSA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000796737380 723652656 /nfs/dbraw/zinc/65/26/56/723652656.db2.gz AGVOYMRSRZFUBY-MHORFTMASA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000796737382 723652667 /nfs/dbraw/zinc/65/26/67/723652667.db2.gz AGVOYMRSRZFUBY-XSLAGTTESA-N 2 1 351.535 3.096 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4n[nH]cc43)CC2)cs1 ZINC000796762223 723653914 /nfs/dbraw/zinc/65/39/14/723653914.db2.gz QCLFMMMUMDWGSK-KRWDZBQOSA-N 2 1 359.543 3.308 20 0 FGADMP COc1c(C)cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000796766148 723653951 /nfs/dbraw/zinc/65/39/51/723653951.db2.gz SWTPCAPMRZVVLH-MRXNPFEDSA-N 2 1 353.938 3.335 20 0 FGADMP CN(CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975240 723893384 /nfs/dbraw/zinc/89/33/84/723893384.db2.gz YZYUDFBXYGNESQ-FUHWJXTLSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975240 723893388 /nfs/dbraw/zinc/89/33/88/723893388.db2.gz YZYUDFBXYGNESQ-FUHWJXTLSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975240 723893391 /nfs/dbraw/zinc/89/33/91/723893391.db2.gz YZYUDFBXYGNESQ-FUHWJXTLSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975240 723893395 /nfs/dbraw/zinc/89/33/95/723893395.db2.gz YZYUDFBXYGNESQ-FUHWJXTLSA-N 2 1 351.535 3.192 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000774862166 723936095 /nfs/dbraw/zinc/93/60/95/723936095.db2.gz JIKTXQYHDGDOEH-GOSISDBHSA-N 2 1 353.551 3.345 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000774862166 723936098 /nfs/dbraw/zinc/93/60/98/723936098.db2.gz JIKTXQYHDGDOEH-GOSISDBHSA-N 2 1 353.551 3.345 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774983587 723947602 /nfs/dbraw/zinc/94/76/02/723947602.db2.gz QBUVIXPQLFIDGF-UHFFFAOYSA-N 2 1 355.320 3.348 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358609 724017423 /nfs/dbraw/zinc/01/74/23/724017423.db2.gz NKFGAXQAGBDUPA-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358609 724017428 /nfs/dbraw/zinc/01/74/28/724017428.db2.gz NKFGAXQAGBDUPA-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358609 724017434 /nfs/dbraw/zinc/01/74/34/724017434.db2.gz NKFGAXQAGBDUPA-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801574210 724316175 /nfs/dbraw/zinc/31/61/75/724316175.db2.gz PZEIRUGABLYHIK-IBGZPJMESA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](C)(CNC(=O)OC(C)(C)C)C1 ZINC000801574210 724316179 /nfs/dbraw/zinc/31/61/79/724316179.db2.gz PZEIRUGABLYHIK-IBGZPJMESA-N 2 1 350.507 3.208 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009060 724353039 /nfs/dbraw/zinc/35/30/39/724353039.db2.gz LNKHOPJPEHDSJH-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009060 724353042 /nfs/dbraw/zinc/35/30/42/724353042.db2.gz LNKHOPJPEHDSJH-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009060 724353045 /nfs/dbraw/zinc/35/30/45/724353045.db2.gz LNKHOPJPEHDSJH-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000788249315 725052636 /nfs/dbraw/zinc/05/26/36/725052636.db2.gz TXPSMIJJYXBFMJ-IRXDYDNUSA-N 2 1 350.507 3.397 20 0 FGADMP C[NH+]1CCC(C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000788494922 725067838 /nfs/dbraw/zinc/06/78/38/725067838.db2.gz VTYSZDLMVXMYSO-UHFFFAOYSA-N 2 1 364.921 3.221 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1cccc(Cl)c1 ZINC000806625390 725138263 /nfs/dbraw/zinc/13/82/63/725138263.db2.gz WJFSDRJINFOOMH-OAQYLSRUSA-N 2 1 358.913 3.498 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809950999 725277810 /nfs/dbraw/zinc/27/78/10/725277810.db2.gz UWIILXFKNBFMTJ-HNAYVOBHSA-N 2 1 367.534 3.214 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000810468189 725309498 /nfs/dbraw/zinc/30/94/98/725309498.db2.gz DKLPCLHTWJFYEZ-FQEVSTJZSA-N 2 1 353.526 3.112 20 0 FGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053314 727027313 /nfs/dbraw/zinc/02/73/13/727027313.db2.gz PBRRYADYTGDRHF-SUMWQHHRSA-N 2 1 373.310 3.069 20 0 FGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053314 727027315 /nfs/dbraw/zinc/02/73/15/727027315.db2.gz PBRRYADYTGDRHF-SUMWQHHRSA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053314 727027317 /nfs/dbraw/zinc/02/73/17/727027317.db2.gz PBRRYADYTGDRHF-SUMWQHHRSA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053314 727027320 /nfs/dbraw/zinc/02/73/20/727027320.db2.gz PBRRYADYTGDRHF-SUMWQHHRSA-N 2 1 373.310 3.069 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145067 727044607 /nfs/dbraw/zinc/04/46/07/727044607.db2.gz VFSNRRKNOMLHQO-ROUUACIJSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145067 727044610 /nfs/dbraw/zinc/04/46/10/727044610.db2.gz VFSNRRKNOMLHQO-ROUUACIJSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145067 727044612 /nfs/dbraw/zinc/04/46/12/727044612.db2.gz VFSNRRKNOMLHQO-ROUUACIJSA-N 2 1 356.432 3.027 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(Cl)cc1 ZINC000815145593 727044999 /nfs/dbraw/zinc/04/49/99/727044999.db2.gz ZHFFFTWJRXBPPU-VDGAXYAQSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145593 727045004 /nfs/dbraw/zinc/04/50/04/727045004.db2.gz ZHFFFTWJRXBPPU-VDGAXYAQSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000815145593 727045006 /nfs/dbraw/zinc/04/50/06/727045006.db2.gz ZHFFFTWJRXBPPU-VDGAXYAQSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539861 727172960 /nfs/dbraw/zinc/17/29/60/727172960.db2.gz WBDWFYHVKZCPBL-VVLHAWIVSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539861 727172965 /nfs/dbraw/zinc/17/29/65/727172965.db2.gz WBDWFYHVKZCPBL-VVLHAWIVSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539863 727173147 /nfs/dbraw/zinc/17/31/47/727173147.db2.gz WBDWFYHVKZCPBL-YYIAUSFCSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539863 727173148 /nfs/dbraw/zinc/17/31/48/727173148.db2.gz WBDWFYHVKZCPBL-YYIAUSFCSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929592 727288023 /nfs/dbraw/zinc/28/80/23/727288023.db2.gz QOSTVNUSEBYNAK-MORSLUCNSA-N 2 1 363.299 3.031 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000818985783 727334823 /nfs/dbraw/zinc/33/48/23/727334823.db2.gz VYEOARFCKIYSJR-RHSMWYFYSA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819151963 727353049 /nfs/dbraw/zinc/35/30/49/727353049.db2.gz IXFFHESQJFSWBZ-YOEHRIQHSA-N 2 1 355.320 3.050 20 0 FGADMP CCC[C@@H](CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820662279 729015280 /nfs/dbraw/zinc/01/52/80/729015280.db2.gz HFSLEFYIZQZCJD-LJQANCHMSA-N 2 1 351.579 3.467 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823394991 729275585 /nfs/dbraw/zinc/27/55/85/729275585.db2.gz ICCVIHDCTCGUIF-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)CC1 ZINC000823394991 729275587 /nfs/dbraw/zinc/27/55/87/729275587.db2.gz ICCVIHDCTCGUIF-IRXDYDNUSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409284 729277354 /nfs/dbraw/zinc/27/73/54/729277354.db2.gz WVDKYUJXTDSDKH-KZNAEPCWSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409284 729277357 /nfs/dbraw/zinc/27/73/57/729277357.db2.gz WVDKYUJXTDSDKH-KZNAEPCWSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409284 729277360 /nfs/dbraw/zinc/27/73/60/729277360.db2.gz WVDKYUJXTDSDKH-KZNAEPCWSA-N 2 1 353.551 3.296 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000824439678 729338439 /nfs/dbraw/zinc/33/84/39/729338439.db2.gz PRPVXSFMTGZPIJ-YLJYHZDGSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000824439678 729338440 /nfs/dbraw/zinc/33/84/40/729338440.db2.gz PRPVXSFMTGZPIJ-YLJYHZDGSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000824439678 729338442 /nfs/dbraw/zinc/33/84/42/729338442.db2.gz PRPVXSFMTGZPIJ-YLJYHZDGSA-N 2 1 353.551 3.201 20 0 FGADMP OC[C@H]1CCCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCCC[C@H]2CO)c1 ZINC000827411437 729429852 /nfs/dbraw/zinc/42/98/52/729429852.db2.gz UVNGRICNUXYWNR-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP OC[C@H]1CCCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CO)c1 ZINC000827411437 729429853 /nfs/dbraw/zinc/42/98/53/729429853.db2.gz UVNGRICNUXYWNR-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP OC[C@H]1CCCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCCC[C@H]2CO)c1 ZINC000827411437 729429854 /nfs/dbraw/zinc/42/98/54/729429854.db2.gz UVNGRICNUXYWNR-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810937 730177532 /nfs/dbraw/zinc/17/75/32/730177532.db2.gz WQCOSOPLNOKHIT-KZNAEPCWSA-N 2 1 353.551 3.391 20 0 FGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810339 730177614 /nfs/dbraw/zinc/17/76/14/730177614.db2.gz RWAWHJQBEIXLAU-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846176728 730933666 /nfs/dbraw/zinc/93/36/66/730933666.db2.gz HNMVHYDSXWVBMX-CQSZACIVSA-N 2 1 362.486 3.311 20 0 FGADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000846176728 730933668 /nfs/dbraw/zinc/93/36/68/730933668.db2.gz HNMVHYDSXWVBMX-CQSZACIVSA-N 2 1 362.486 3.311 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000846200732 730936256 /nfs/dbraw/zinc/93/62/56/730936256.db2.gz ULVQDQMOCCJHDE-IKGGRYGDSA-N 2 1 351.535 3.144 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000846900416 730992976 /nfs/dbraw/zinc/99/29/76/730992976.db2.gz HNPJRPXAEQMZMZ-INIZCTEOSA-N 2 1 350.507 3.122 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000846900416 730992978 /nfs/dbraw/zinc/99/29/78/730992978.db2.gz HNPJRPXAEQMZMZ-INIZCTEOSA-N 2 1 350.507 3.122 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H](O)c1c(F)cccc1Cl ZINC000848534083 731176926 /nfs/dbraw/zinc/17/69/26/731176926.db2.gz PDBFJNYBCFVABK-ZUEVXXBESA-N 2 1 370.896 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(Cl)n3C)CC2)cs1 ZINC000848535844 731177525 /nfs/dbraw/zinc/17/75/25/731177525.db2.gz KWRCHUXTMLDZGF-UHFFFAOYSA-N 2 1 367.950 3.094 20 0 FGADMP Cc1c(Cl)cccc1NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849275423 731240545 /nfs/dbraw/zinc/24/05/45/731240545.db2.gz OQGRMNAJHLJJPB-ZDUSSCGKSA-N 2 1 356.967 3.207 20 0 FGADMP Cc1c(Cl)cccc1NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849275423 731240546 /nfs/dbraw/zinc/24/05/46/731240546.db2.gz OQGRMNAJHLJJPB-ZDUSSCGKSA-N 2 1 356.967 3.207 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000849349892 731251167 /nfs/dbraw/zinc/25/11/67/731251167.db2.gz BAPRBPSEBBKDBE-KRWDZBQOSA-N 2 1 351.535 3.383 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000849349892 731251168 /nfs/dbraw/zinc/25/11/68/731251168.db2.gz BAPRBPSEBBKDBE-KRWDZBQOSA-N 2 1 351.535 3.383 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596163 732039388 /nfs/dbraw/zinc/03/93/88/732039388.db2.gz SFCWZSOCHOMEGQ-CZUORRHYSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596163 732039391 /nfs/dbraw/zinc/03/93/91/732039391.db2.gz SFCWZSOCHOMEGQ-CZUORRHYSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596163 732039393 /nfs/dbraw/zinc/03/93/93/732039393.db2.gz SFCWZSOCHOMEGQ-CZUORRHYSA-N 2 1 358.313 3.180 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585890 732039688 /nfs/dbraw/zinc/03/96/88/732039688.db2.gz MZQIFVQUGAFDID-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585890 732039691 /nfs/dbraw/zinc/03/96/91/732039691.db2.gz MZQIFVQUGAFDID-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585890 732039693 /nfs/dbraw/zinc/03/96/93/732039693.db2.gz MZQIFVQUGAFDID-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585890 732039696 /nfs/dbraw/zinc/03/96/96/732039696.db2.gz MZQIFVQUGAFDID-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP OCc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)cc[nH+]1 ZINC000858410861 732212058 /nfs/dbraw/zinc/21/20/58/732212058.db2.gz CRLYYYLWGDIQQS-INIZCTEOSA-N 2 1 351.372 3.279 20 0 FGADMP CC(C)(C)OC(=O)N1CC(CC[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000859079306 732275397 /nfs/dbraw/zinc/27/53/97/732275397.db2.gz QLILXCNCHXGUQW-UHFFFAOYSA-N 2 1 351.535 3.194 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438040 733200964 /nfs/dbraw/zinc/20/09/64/733200964.db2.gz XWNVUKHBXGBUGK-UONOGXRCSA-N 2 1 367.456 3.154 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449772 733203388 /nfs/dbraw/zinc/20/33/88/733203388.db2.gz FBAQDGAOHUOFPH-LSDHHAIUSA-N 2 1 363.493 3.245 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659618 733247954 /nfs/dbraw/zinc/24/79/54/733247954.db2.gz DLMHAROIUANOQN-WMZOPIPTSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659618 733247956 /nfs/dbraw/zinc/24/79/56/733247956.db2.gz DLMHAROIUANOQN-WMZOPIPTSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659618 733247960 /nfs/dbraw/zinc/24/79/60/733247960.db2.gz DLMHAROIUANOQN-WMZOPIPTSA-N 2 1 358.555 3.062 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866453148 733351351 /nfs/dbraw/zinc/35/13/51/733351351.db2.gz IKQXBWJNLOSETD-TVFCKZIOSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866549365 733364905 /nfs/dbraw/zinc/36/49/05/733364905.db2.gz MBFLNOAIBGVGJB-HSFUPAIVSA-N 2 1 351.535 3.237 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@@H](C)C1 ZINC000872129285 735593762 /nfs/dbraw/zinc/59/37/62/735593762.db2.gz XIFZJXQONKHGAL-ATIWLJMLSA-N 2 1 351.535 3.094 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000872149517 735595821 /nfs/dbraw/zinc/59/58/21/735595821.db2.gz NWSBXSHYGJTVNL-JQWIXIFHSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000872149517 735595822 /nfs/dbraw/zinc/59/58/22/735595822.db2.gz NWSBXSHYGJTVNL-JQWIXIFHSA-N 2 1 356.310 3.153 20 0 FGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873223457 735739678 /nfs/dbraw/zinc/73/96/78/735739678.db2.gz NSFXWAFWAMRFNH-FQEVSTJZSA-N 2 1 350.503 3.299 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000873227556 735740285 /nfs/dbraw/zinc/74/02/85/735740285.db2.gz JEYHGUZKKQUTFT-BXUZGUMPSA-N 2 1 358.795 3.299 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000873227556 735740287 /nfs/dbraw/zinc/74/02/87/735740287.db2.gz JEYHGUZKKQUTFT-BXUZGUMPSA-N 2 1 358.795 3.299 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000874433663 735869086 /nfs/dbraw/zinc/86/90/86/735869086.db2.gz NRASYLMGHFBEPX-QGZVFWFLSA-N 2 1 354.926 3.103 20 0 FGADMP COCC[N@H+](Cc1c(C2CC2)nc2sccn12)CC1CC[NH+](C)CC1 ZINC000877664581 736701930 /nfs/dbraw/zinc/70/19/30/736701930.db2.gz RLWSOYVMGWYXBW-UHFFFAOYSA-N 2 1 362.543 3.063 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574142 737010215 /nfs/dbraw/zinc/01/02/15/737010215.db2.gz ADYPNOMSIWSEPK-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574142 737010217 /nfs/dbraw/zinc/01/02/17/737010217.db2.gz ADYPNOMSIWSEPK-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574142 737010219 /nfs/dbraw/zinc/01/02/19/737010219.db2.gz ADYPNOMSIWSEPK-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574142 737010222 /nfs/dbraw/zinc/01/02/22/737010222.db2.gz ADYPNOMSIWSEPK-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000880471060 737177507 /nfs/dbraw/zinc/17/75/07/737177507.db2.gz OOFSGRTWKFDZCK-VQIMIIECSA-N 2 1 366.933 3.339 20 0 FGADMP [NH3+][C@H](C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1)C1CCCC1 ZINC000883441178 737567085 /nfs/dbraw/zinc/56/70/85/737567085.db2.gz JHNQHIHREZTVKB-MISYRCLQSA-N 2 1 350.547 3.334 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000884236256 737646174 /nfs/dbraw/zinc/64/61/74/737646174.db2.gz PRNDTCRMHMMGMK-SFHVURJKSA-N 2 1 366.619 3.124 20 0 FGADMP [NH3+][C@H](CC1CC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000884317938 737654830 /nfs/dbraw/zinc/65/48/30/737654830.db2.gz HNJKVHLIKHQQFB-QGZVFWFLSA-N 2 1 370.324 3.201 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000891597157 739919383 /nfs/dbraw/zinc/91/93/83/739919383.db2.gz LBLIWNYUTQRJRG-WMZOPIPTSA-N 2 1 366.575 3.292 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCn1cc[nH+]c1C ZINC000892621599 740024184 /nfs/dbraw/zinc/02/41/84/740024184.db2.gz LWDSOWQMDUWOIA-UHFFFAOYSA-N 2 1 365.275 3.092 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)c1 ZINC000892697416 740033705 /nfs/dbraw/zinc/03/37/05/740033705.db2.gz SDCIYIYYIKOCHQ-RTBURBONSA-N 2 1 350.478 3.250 20 0 FGADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)OCCO2 ZINC000892775596 740041997 /nfs/dbraw/zinc/04/19/97/740041997.db2.gz XLKBEKKRRCMQDW-MOPGFXCFSA-N 2 1 354.510 3.254 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000893200404 742123150 /nfs/dbraw/zinc/12/31/50/742123150.db2.gz OMBFQSFNLQJMPS-KURKYZTESA-N 2 1 353.551 3.247 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045778 742230918 /nfs/dbraw/zinc/23/09/18/742230918.db2.gz RLXXLBLLEBGOSK-ZNMIVQPWSA-N 2 1 363.493 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045778 742230921 /nfs/dbraw/zinc/23/09/21/742230921.db2.gz RLXXLBLLEBGOSK-ZNMIVQPWSA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045778 742230923 /nfs/dbraw/zinc/23/09/23/742230923.db2.gz RLXXLBLLEBGOSK-ZNMIVQPWSA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045778 742230926 /nfs/dbraw/zinc/23/09/26/742230926.db2.gz RLXXLBLLEBGOSK-ZNMIVQPWSA-N 2 1 363.493 3.340 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794293 743776443 /nfs/dbraw/zinc/77/64/43/743776443.db2.gz UZRNJQLUUHNFSD-VXGBXAGGSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794293 743776446 /nfs/dbraw/zinc/77/64/46/743776446.db2.gz UZRNJQLUUHNFSD-VXGBXAGGSA-N 2 1 363.449 3.005 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(C(F)(F)F)c1 ZINC000903120589 743809346 /nfs/dbraw/zinc/80/93/46/743809346.db2.gz PTBHQFDKZWUXDU-NXCDMZCRSA-N 2 1 354.416 3.486 20 0 FGADMP Fc1ccc([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)cc1F ZINC000903769290 743882010 /nfs/dbraw/zinc/88/20/10/743882010.db2.gz BQGSJDGWTQLZBO-IAGOWNOFSA-N 2 1 350.453 3.303 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)C)s3)C2)[C@H]1C(C)C ZINC000922395655 758914749 /nfs/dbraw/zinc/91/47/49/758914749.db2.gz YBWSTJUWAGNGTP-RGCFKVTRSA-N 2 1 351.560 3.226 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923300144 759097962 /nfs/dbraw/zinc/09/79/62/759097962.db2.gz BTOBLQTWVSWLLB-UNPWZGGWSA-N 2 1 350.528 3.004 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317246 759099673 /nfs/dbraw/zinc/09/96/73/759099673.db2.gz CSQFVZBLTMVZMP-CVEARBPZSA-N 2 1 366.937 3.016 20 0 FGADMP CCOc1ccc(-c2nc(C[N@H+]3CC[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000923482965 759129656 /nfs/dbraw/zinc/12/96/56/759129656.db2.gz JYBKOZBHSPLCMJ-AWEZNQCLSA-N 2 1 361.511 3.388 20 0 FGADMP C[C@H]1C[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC[C@H]1C[NH3+] ZINC000923499973 759133676 /nfs/dbraw/zinc/13/36/76/759133676.db2.gz PIQWNJYFOBUYFP-AAEUAGOBSA-N 2 1 354.376 3.172 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)CCCC2)CC1 ZINC000925000750 759429866 /nfs/dbraw/zinc/42/98/66/759429866.db2.gz VHHBZLJVDFUPKI-AZUAARDMSA-N 2 1 350.547 3.205 20 0 FGADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000925775575 759534725 /nfs/dbraw/zinc/53/47/25/759534725.db2.gz HNJNXZVRSSLDII-SCZZXKLOSA-N 2 1 351.260 3.332 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779967 759536544 /nfs/dbraw/zinc/53/65/44/759536544.db2.gz CNIQNNGGGBPDBA-RISCZKNCSA-N 2 1 352.454 3.409 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2c1nccc2Cl ZINC000926435780 759749802 /nfs/dbraw/zinc/74/98/02/759749802.db2.gz QFMRCNREZCXFPM-QGZVFWFLSA-N 2 1 360.889 3.238 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000926785262 759821437 /nfs/dbraw/zinc/82/14/37/759821437.db2.gz ATXUCPYWNMUXPN-AVAUJXNBSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](O)C(F)(F)F ZINC000926785262 759821448 /nfs/dbraw/zinc/82/14/48/759821448.db2.gz ATXUCPYWNMUXPN-AVAUJXNBSA-N 2 1 356.432 3.473 20 0 FGADMP COC/C(C)=C/C[NH+]1CCCC2(CCC[N@H+](C/C=C(\C)COC)C2)C1 ZINC000930512529 760629718 /nfs/dbraw/zinc/62/97/18/760629718.db2.gz UUFDYGHIYKCZEP-OKXCLTPOSA-N 2 1 350.547 3.350 20 0 FGADMP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000997597356 765069269 /nfs/dbraw/zinc/06/92/69/765069269.db2.gz SVTXAKOEBDEHFF-FRQCXROJSA-N 2 1 363.571 3.113 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000997787384 765082944 /nfs/dbraw/zinc/08/29/44/765082944.db2.gz YMDVVSZAUJNPNJ-DNVCBOLYSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(Cl)cc(Cl)c3)C2)CC[N@H+]1C ZINC001020172252 765866373 /nfs/dbraw/zinc/86/63/73/765866373.db2.gz SQIPXCHAUAASAH-GAEVZRCVSA-N 2 1 370.324 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@H](C)c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001022106459 765973998 /nfs/dbraw/zinc/97/39/98/765973998.db2.gz JBSMYDPIRBHVRG-RBPQIDMKSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001026854430 766082453 /nfs/dbraw/zinc/08/24/53/766082453.db2.gz BHSUJYNISBOFTH-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP Cc1ccc(C[NH+]2CCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001027893774 766104796 /nfs/dbraw/zinc/10/47/96/766104796.db2.gz GADKHSFDWGYXGS-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(Cl)c1 ZINC001027893774 766104799 /nfs/dbraw/zinc/10/47/99/766104799.db2.gz GADKHSFDWGYXGS-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(Cl)c1 ZINC001027893774 766104804 /nfs/dbraw/zinc/10/48/04/766104804.db2.gz GADKHSFDWGYXGS-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@H](C)[NH2+]Cc3ccsc3)CC2)CC[N@H+]1C ZINC001029101925 766141323 /nfs/dbraw/zinc/14/13/23/766141323.db2.gz QZCUNMMMLKSQCS-ZYSHUDEJSA-N 2 1 363.571 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[NH+](C/C=C/Cl)C3)C2)CC[N@H+]1C ZINC001045938714 766576711 /nfs/dbraw/zinc/57/67/11/766576711.db2.gz JQTFVIDJORBHCA-BGXWEFHNSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@H+](C/C=C/Cl)C3)C2)CC[NH+]1C ZINC001045938714 766576715 /nfs/dbraw/zinc/57/67/15/766576715.db2.gz JQTFVIDJORBHCA-BGXWEFHNSA-N 2 1 367.965 3.174 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@]3(CC[N@@H+](C/C=C/Cl)C3)C2)CC[NH+]1C ZINC001045938714 766576719 /nfs/dbraw/zinc/57/67/19/766576719.db2.gz JQTFVIDJORBHCA-BGXWEFHNSA-N 2 1 367.965 3.174 20 0 FGADMP CC[NH+]1CCC([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000102420071 257350484 /nfs/dbraw/zinc/35/04/84/257350484.db2.gz AACKGWWLHONUPD-UHFFFAOYSA-N 2 1 351.288 3.299 20 0 FGADMP CC[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000576694519 505572445 /nfs/dbraw/zinc/57/24/45/505572445.db2.gz ABEUFBPLVNDKNN-CQSZACIVSA-N 2 1 374.266 3.094 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573610035 505577463 /nfs/dbraw/zinc/57/74/63/505577463.db2.gz HJNRCUDGLQNGBX-BZSNNMDCSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573610035 505577468 /nfs/dbraw/zinc/57/74/68/505577468.db2.gz HJNRCUDGLQNGBX-BZSNNMDCSA-N 2 1 367.896 3.261 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@@H](C[NH3+])C3)c2)cc1 ZINC000570801398 505584181 /nfs/dbraw/zinc/58/41/81/505584181.db2.gz NKLBNYCVPOTWLV-KRWDZBQOSA-N 2 1 353.466 3.118 20 0 FGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)n2)cc1 ZINC000573669842 505592585 /nfs/dbraw/zinc/59/25/85/505592585.db2.gz JJVZLUUBTZTWRE-AZUAARDMSA-N 2 1 370.497 3.017 20 0 FGADMP COc1ncccc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000573734545 505606858 /nfs/dbraw/zinc/60/68/58/505606858.db2.gz ZFJPUNWMVYMQJF-MZADTFQBSA-N 2 1 351.494 3.418 20 0 FGADMP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000579771621 505616345 /nfs/dbraw/zinc/61/63/45/505616345.db2.gz AMJCPSDAQSPUTK-ZDUSSCGKSA-N 2 1 365.428 3.055 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000579771621 505616348 /nfs/dbraw/zinc/61/63/48/505616348.db2.gz AMJCPSDAQSPUTK-ZDUSSCGKSA-N 2 1 365.428 3.055 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc1 ZINC000571056420 505643477 /nfs/dbraw/zinc/64/34/77/505643477.db2.gz QYKQYUGNSBBRIK-QFIPXVFZSA-N 2 1 364.493 3.275 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCOC1 ZINC000568302478 505661862 /nfs/dbraw/zinc/66/18/62/505661862.db2.gz CGMOETLUKVLWEA-BVSLBCMMSA-N 2 1 372.553 3.320 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)C2 ZINC000577151153 505673703 /nfs/dbraw/zinc/67/37/03/505673703.db2.gz RNYIZJNZMBQECE-XLIONFOSSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)C2 ZINC000577151153 505673705 /nfs/dbraw/zinc/67/37/05/505673705.db2.gz RNYIZJNZMBQECE-XLIONFOSSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000577151151 505674015 /nfs/dbraw/zinc/67/40/15/505674015.db2.gz RNYIZJNZMBQECE-PXNSSMCTSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@@H]3C)CC1)C2 ZINC000577151151 505674019 /nfs/dbraw/zinc/67/40/19/505674019.db2.gz RNYIZJNZMBQECE-PXNSSMCTSA-N 2 1 372.557 3.257 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)cc1 ZINC000580106358 505677878 /nfs/dbraw/zinc/67/78/78/505677878.db2.gz MNATUXWPHUMPCO-GOSISDBHSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@@H](C)[N@@H+](C)C3CC3)CC2)cc1 ZINC000580106358 505677880 /nfs/dbraw/zinc/67/78/80/505677880.db2.gz MNATUXWPHUMPCO-GOSISDBHSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)cc1 ZINC000580106359 505678053 /nfs/dbraw/zinc/67/80/53/505678053.db2.gz MNATUXWPHUMPCO-SFHVURJKSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NC[C@H](C)[N@@H+](C)C3CC3)CC2)cc1 ZINC000580106359 505678056 /nfs/dbraw/zinc/67/80/56/505678056.db2.gz MNATUXWPHUMPCO-SFHVURJKSA-N 2 1 372.557 3.120 20 0 FGADMP C[N@H+](CCC(=O)NCc1ccccc1Cl)CC[C@H]1CCCC[NH+]1C ZINC000075860780 493787477 /nfs/dbraw/zinc/78/74/77/493787477.db2.gz QABLTVJYJHOEFR-QGZVFWFLSA-N 2 1 351.922 3.153 20 0 FGADMP C[NH+](CCC(=O)NCc1ccccc1Cl)CC[C@H]1CCCC[N@@H+]1C ZINC000075860780 493787479 /nfs/dbraw/zinc/78/74/79/493787479.db2.gz QABLTVJYJHOEFR-QGZVFWFLSA-N 2 1 351.922 3.153 20 0 FGADMP C[NH+](CCC(=O)NCc1ccccc1Cl)CC[C@H]1CCCC[N@H+]1C ZINC000075860780 493787482 /nfs/dbraw/zinc/78/74/82/493787482.db2.gz QABLTVJYJHOEFR-QGZVFWFLSA-N 2 1 351.922 3.153 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H](C(N)=O)c2ccccc2)CC1 ZINC000057844062 493806906 /nfs/dbraw/zinc/80/69/06/493806906.db2.gz SRYVURVGZQMFQD-NRFANRHFSA-N 2 1 351.494 3.057 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000057844270 493807272 /nfs/dbraw/zinc/80/72/72/493807272.db2.gz OCQPJOOSWJWTOR-UHFFFAOYSA-N 2 1 351.494 3.130 20 0 FGADMP Ic1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000568395132 505684458 /nfs/dbraw/zinc/68/44/58/505684458.db2.gz STUTUPYQFOCGGY-HUUCEWRRSA-N 2 1 370.278 3.113 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)CC1 ZINC000068829386 493880206 /nfs/dbraw/zinc/88/02/06/493880206.db2.gz DZQDSBJCOZESET-MOPGFXCFSA-N 2 1 357.542 3.278 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000608061196 506401955 /nfs/dbraw/zinc/40/19/55/506401955.db2.gz GCKDFHPAJCUNGT-OCCSQVGLSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000608061196 506401960 /nfs/dbraw/zinc/40/19/60/506401960.db2.gz GCKDFHPAJCUNGT-OCCSQVGLSA-N 2 1 371.319 3.429 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000062359839 494010025 /nfs/dbraw/zinc/01/00/25/494010025.db2.gz OUADKLSWGAAGDO-SFTDATJTSA-N 2 1 353.510 3.489 20 0 FGADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1csc2ccccc12 ZINC000052806063 494063280 /nfs/dbraw/zinc/06/32/80/494063280.db2.gz FBDUPKJEHFYDQD-UHFFFAOYSA-N 2 1 357.523 3.076 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1csc2ccccc12 ZINC000052806063 494063282 /nfs/dbraw/zinc/06/32/82/494063282.db2.gz FBDUPKJEHFYDQD-UHFFFAOYSA-N 2 1 357.523 3.076 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000063757927 494084389 /nfs/dbraw/zinc/08/43/89/494084389.db2.gz ZYUQFOVOKVVZBD-SFHVURJKSA-N 2 1 361.530 3.011 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3ccccc3C)CC2)CC1 ZINC000084677746 494091865 /nfs/dbraw/zinc/09/18/65/494091865.db2.gz KDRNHOZUDPSJBE-UHFFFAOYSA-N 2 1 371.569 3.194 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085359792 494116900 /nfs/dbraw/zinc/11/69/00/494116900.db2.gz ZVUZTYTZIHPETR-AOIWGVFYSA-N 2 1 360.546 3.097 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000065441853 494197519 /nfs/dbraw/zinc/19/75/19/494197519.db2.gz UTGHCDDEDUVMTJ-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000088174435 494211575 /nfs/dbraw/zinc/21/15/75/494211575.db2.gz DKWRQXPVJPHJCY-UHFFFAOYSA-N 2 1 358.267 3.255 20 0 FGADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccc1OCc1c(C)noc1C ZINC000065981555 494264254 /nfs/dbraw/zinc/26/42/54/494264254.db2.gz ZKEBEPOMZUQXAA-CQSZACIVSA-N 2 1 361.486 3.309 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054718910 494264937 /nfs/dbraw/zinc/26/49/37/494264937.db2.gz VJXQHLGFUMWHPI-WMZOPIPTSA-N 2 1 372.557 3.430 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858735 494267329 /nfs/dbraw/zinc/26/73/29/494267329.db2.gz YNODDBZYQJCDGJ-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858735 494267336 /nfs/dbraw/zinc/26/73/36/494267336.db2.gz YNODDBZYQJCDGJ-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858735 494267343 /nfs/dbraw/zinc/26/73/43/494267343.db2.gz YNODDBZYQJCDGJ-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858735 494267347 /nfs/dbraw/zinc/26/73/47/494267347.db2.gz YNODDBZYQJCDGJ-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524438 494313372 /nfs/dbraw/zinc/31/33/72/494313372.db2.gz RLEMMDVULOKAFP-WOJBJXKFSA-N 2 1 366.594 3.307 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000073306656 494354641 /nfs/dbraw/zinc/35/46/41/494354641.db2.gz JAERFKHHWGZKBK-UHFFFAOYSA-N 2 1 371.569 3.477 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)CC(C)(C)C3)CC2)CC1 ZINC000568529343 505717033 /nfs/dbraw/zinc/71/70/33/505717033.db2.gz HXPVGAUDNQOLIV-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1c[nH+]ccc1N ZINC000577383048 505717971 /nfs/dbraw/zinc/71/79/71/505717971.db2.gz MJJRSSSNACUDEE-JSGCOSHPSA-N 2 1 369.419 3.301 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000073726233 494420142 /nfs/dbraw/zinc/42/01/42/494420142.db2.gz PPVYTMPUZWDIRD-IBGZPJMESA-N 2 1 354.498 3.177 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000073726233 494420146 /nfs/dbraw/zinc/42/01/46/494420146.db2.gz PPVYTMPUZWDIRD-IBGZPJMESA-N 2 1 354.498 3.177 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003401 494426011 /nfs/dbraw/zinc/42/60/11/494426011.db2.gz HDDABOVDQSCIMS-JKSUJKDBSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003401 494426014 /nfs/dbraw/zinc/42/60/14/494426014.db2.gz HDDABOVDQSCIMS-JKSUJKDBSA-N 2 1 351.454 3.486 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2)CC1 ZINC000066960861 494445756 /nfs/dbraw/zinc/44/57/56/494445756.db2.gz UFGAPUVFJTUKEZ-IBGZPJMESA-N 2 1 359.558 3.178 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461528 494459249 /nfs/dbraw/zinc/45/92/49/494459249.db2.gz FSGHMMXAXAEYNH-XLIONFOSSA-N 2 1 356.514 3.161 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461528 494459252 /nfs/dbraw/zinc/45/92/52/494459252.db2.gz FSGHMMXAXAEYNH-XLIONFOSSA-N 2 1 356.514 3.161 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461528 494459254 /nfs/dbraw/zinc/45/92/54/494459254.db2.gz FSGHMMXAXAEYNH-XLIONFOSSA-N 2 1 356.514 3.161 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074189398 494494488 /nfs/dbraw/zinc/49/44/88/494494488.db2.gz LNMKOBMSBRHESU-HXUWFJFHSA-N 2 1 357.542 3.087 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000074211195 494498631 /nfs/dbraw/zinc/49/86/31/494498631.db2.gz TXKODHGBLCGMMB-QGZVFWFLSA-N 2 1 371.529 3.400 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000074319835 494518154 /nfs/dbraw/zinc/51/81/54/494518154.db2.gz MIFVNCWUHFDQPH-UHFFFAOYSA-N 2 1 353.457 3.347 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000074319835 494518159 /nfs/dbraw/zinc/51/81/59/494518159.db2.gz MIFVNCWUHFDQPH-UHFFFAOYSA-N 2 1 353.457 3.347 20 0 FGADMP CCOc1ccc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)cc1 ZINC000056524614 494520394 /nfs/dbraw/zinc/52/03/94/494520394.db2.gz QXIFROMGZZSJCT-UHFFFAOYSA-N 2 1 358.486 3.299 20 0 FGADMP C[C@H](C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCCC1 ZINC000074582249 494562076 /nfs/dbraw/zinc/56/20/76/494562076.db2.gz ZCBMUNVXMGGTKJ-QZTJIDSGSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000091336507 494586217 /nfs/dbraw/zinc/58/62/17/494586217.db2.gz BACAGMKTPCRLNG-GOEBONIOSA-N 2 1 364.921 3.114 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000080117556 494601955 /nfs/dbraw/zinc/60/19/55/494601955.db2.gz YQGXVUPTBSRUKO-FQEVSTJZSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000080117561 494603185 /nfs/dbraw/zinc/60/31/85/494603185.db2.gz YQGXVUPTBSRUKO-HXUWFJFHSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080166876 494622533 /nfs/dbraw/zinc/62/25/33/494622533.db2.gz HNGNQYSISDRFTB-WIYYLYMNSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccc(CO)c1 ZINC000121177848 494633860 /nfs/dbraw/zinc/63/38/60/494633860.db2.gz MBLYMNSVTXMTRA-AUSIDOKSSA-N 2 1 367.537 3.208 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000126165338 494659574 /nfs/dbraw/zinc/65/95/74/494659574.db2.gz OZLDLTXMDSRWNF-UTKZUKDTSA-N 2 1 361.493 3.364 20 0 FGADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121249818 494666241 /nfs/dbraw/zinc/66/62/41/494666241.db2.gz NXNCDFRBSGYHJW-RBUKOAKNSA-N 3 1 369.557 3.105 20 0 FGADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121249539 494666606 /nfs/dbraw/zinc/66/66/06/494666606.db2.gz NXNCDFRBSGYHJW-OALUTQOASA-N 3 1 369.557 3.105 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338368 494678785 /nfs/dbraw/zinc/67/87/85/494678785.db2.gz RPEHNIVFRBLMPS-DYESRHJHSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000080338368 494678793 /nfs/dbraw/zinc/67/87/93/494678793.db2.gz RPEHNIVFRBLMPS-DYESRHJHSA-N 2 1 351.494 3.189 20 0 FGADMP Cn1cnnc1C1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000091795299 494685291 /nfs/dbraw/zinc/68/52/91/494685291.db2.gz HGXJHKCZEGMXKJ-UHFFFAOYSA-N 2 1 355.530 3.153 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3c[nH]nc3C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000092645044 494694181 /nfs/dbraw/zinc/69/41/81/494694181.db2.gz WYHPTOTWTCBXGB-UHFFFAOYSA-N 2 1 356.518 3.215 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3c[nH]nc3C(C)(C)C)CC2)nc(C)[nH+]1 ZINC000092645044 494694188 /nfs/dbraw/zinc/69/41/88/494694188.db2.gz WYHPTOTWTCBXGB-UHFFFAOYSA-N 2 1 356.518 3.215 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000108410319 494701671 /nfs/dbraw/zinc/70/16/71/494701671.db2.gz DBDJYVIIMXLCLK-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000108410319 494701675 /nfs/dbraw/zinc/70/16/75/494701675.db2.gz DBDJYVIIMXLCLK-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000108410319 494701678 /nfs/dbraw/zinc/70/16/78/494701678.db2.gz DBDJYVIIMXLCLK-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)COc1ccccc1 ZINC000092821312 494763057 /nfs/dbraw/zinc/76/30/57/494763057.db2.gz RFTFVGZTOVCCSU-OAQYLSRUSA-N 2 1 369.509 3.060 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000574295202 505740334 /nfs/dbraw/zinc/74/03/34/505740334.db2.gz HLDQFTGXSARXOE-SIKLNZKXSA-N 2 1 373.541 3.070 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000092043098 494765889 /nfs/dbraw/zinc/76/58/89/494765889.db2.gz PWNALFWVWHMDSN-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000092043098 494765897 /nfs/dbraw/zinc/76/58/97/494765897.db2.gz PWNALFWVWHMDSN-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(SC)cc1OC ZINC000092043098 494765901 /nfs/dbraw/zinc/76/59/01/494765901.db2.gz PWNALFWVWHMDSN-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(SC)cc1OC ZINC000092043098 494765905 /nfs/dbraw/zinc/76/59/05/494765905.db2.gz PWNALFWVWHMDSN-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000092072477 494777795 /nfs/dbraw/zinc/77/77/95/494777795.db2.gz QCUQSVBPSZSKPZ-HXUWFJFHSA-N 2 1 367.541 3.321 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000116566443 494817176 /nfs/dbraw/zinc/81/71/76/494817176.db2.gz QRNSCYZFTOJYIY-RTBURBONSA-N 2 1 360.546 3.051 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)(C)C ZINC000116566443 494817181 /nfs/dbraw/zinc/81/71/81/494817181.db2.gz QRNSCYZFTOJYIY-RTBURBONSA-N 2 1 360.546 3.051 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccsc4)s3)C2)CC1 ZINC000093132990 494831108 /nfs/dbraw/zinc/83/11/08/494831108.db2.gz CRWBVVVWJSNQOQ-MRXNPFEDSA-N 2 1 362.568 3.083 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C)c(C)c3)CC2)CC1 ZINC000093141846 494835109 /nfs/dbraw/zinc/83/51/09/494835109.db2.gz VHLCYMZBMKOPPB-UHFFFAOYSA-N 2 1 357.542 3.070 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H](C)c3ccccc3)CC2)CC1 ZINC000116879210 494866216 /nfs/dbraw/zinc/86/62/16/494866216.db2.gz DSUVDVDAFLRFCI-IBGZPJMESA-N 2 1 357.542 3.056 20 0 FGADMP Cc1ccc([C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000109504297 494883096 /nfs/dbraw/zinc/88/30/96/494883096.db2.gz WQUGVQVDYOLHRE-QFIPXVFZSA-N 2 1 365.521 3.380 20 0 FGADMP Cc1ccc([C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000109504297 494883099 /nfs/dbraw/zinc/88/30/99/494883099.db2.gz WQUGVQVDYOLHRE-QFIPXVFZSA-N 2 1 365.521 3.380 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644490 494907318 /nfs/dbraw/zinc/90/73/18/494907318.db2.gz HJWOZGZJQIPPEC-GHTZIAJQSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@H]1C[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093644490 494907320 /nfs/dbraw/zinc/90/73/20/494907320.db2.gz HJWOZGZJQIPPEC-GHTZIAJQSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@H]1C[C@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093644490 494907321 /nfs/dbraw/zinc/90/73/21/494907321.db2.gz HJWOZGZJQIPPEC-GHTZIAJQSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000122137769 494930269 /nfs/dbraw/zinc/93/02/69/494930269.db2.gz WPFIXUADUBZION-OTWHNJEPSA-N 2 1 366.571 3.197 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000127373867 494935304 /nfs/dbraw/zinc/93/53/04/494935304.db2.gz SMKRRKXHGIABDB-UHFFFAOYSA-N 2 1 353.369 3.044 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(cc1OC(F)F)OCO2 ZINC000127373867 494935307 /nfs/dbraw/zinc/93/53/07/494935307.db2.gz SMKRRKXHGIABDB-UHFFFAOYSA-N 2 1 353.369 3.044 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000094069896 494945702 /nfs/dbraw/zinc/94/57/02/494945702.db2.gz ZBEGATSOGNTPHK-UHFFFAOYSA-N 2 1 361.711 3.432 20 0 FGADMP CC[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)N1CCCC1 ZINC000132941520 494946059 /nfs/dbraw/zinc/94/60/59/494946059.db2.gz NQANUHUTJYEHEI-HXUWFJFHSA-N 2 1 358.574 3.181 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)c1 ZINC000122347081 494961228 /nfs/dbraw/zinc/96/12/28/494961228.db2.gz NIXKAKFRHOGFKE-QGZVFWFLSA-N 2 1 360.523 3.090 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@@H]1COCC[N@H+]1CC1CC[NH2+]CC1 ZINC000571517292 505752598 /nfs/dbraw/zinc/75/25/98/505752598.db2.gz KCNGYDGSCCOAOZ-FQEVSTJZSA-N 2 1 372.488 3.001 20 0 FGADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000122407664 494969796 /nfs/dbraw/zinc/96/97/96/494969796.db2.gz MKWBQBGDCUMVBE-JTSKRJEESA-N 2 1 370.537 3.480 20 0 FGADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000122408187 494970902 /nfs/dbraw/zinc/97/09/02/494970902.db2.gz MKWBQBGDCUMVBE-VGSWGCGISA-N 2 1 370.537 3.480 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCC[N@H+](C)C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000118030022 494971580 /nfs/dbraw/zinc/97/15/80/494971580.db2.gz SETNZKCDWIFAGE-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCC[N@@H+](C)C2CCCC2)cc1)[NH+]1CCOCC1 ZINC000118030022 494971583 /nfs/dbraw/zinc/97/15/83/494971583.db2.gz SETNZKCDWIFAGE-QGZVFWFLSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@H](c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1)[NH+]1CCOCC1 ZINC000110721012 495003420 /nfs/dbraw/zinc/00/34/20/495003420.db2.gz GGUUHQIVIUWGSL-QGZVFWFLSA-N 2 1 367.493 3.394 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000118868495 495050954 /nfs/dbraw/zinc/05/09/54/495050954.db2.gz UVEGLGIYZAXLQS-UHFFFAOYSA-N 2 1 364.490 3.038 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000133782952 495061534 /nfs/dbraw/zinc/06/15/34/495061534.db2.gz PXLGDIDHVALLKJ-HXUWFJFHSA-N 2 1 366.594 3.022 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000128352920 495084189 /nfs/dbraw/zinc/08/41/89/495084189.db2.gz UOAZEHUSGBNUNI-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP COc1cc(OC)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000128579877 495119237 /nfs/dbraw/zinc/11/92/37/495119237.db2.gz BILZMDVYUGJISQ-OAHLLOKOSA-N 2 1 369.937 3.035 20 0 FGADMP c1csc(Cn2cccc2C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000119329634 495143917 /nfs/dbraw/zinc/14/39/17/495143917.db2.gz LJDLXKNLQPCZBM-KRWDZBQOSA-N 2 1 359.539 3.188 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@H](C[NH3+])C3)c2c1C ZINC000568732404 505764107 /nfs/dbraw/zinc/76/41/07/505764107.db2.gz SWNBOQRXBLLLLY-OAHLLOKOSA-N 2 1 359.543 3.079 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000103142844 495198433 /nfs/dbraw/zinc/19/84/33/495198433.db2.gz UDHIEPRISLMLSC-OAQYLSRUSA-N 2 1 369.484 3.196 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000103142844 495198436 /nfs/dbraw/zinc/19/84/36/495198436.db2.gz UDHIEPRISLMLSC-OAQYLSRUSA-N 2 1 369.484 3.196 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000103142844 495198439 /nfs/dbraw/zinc/19/84/39/495198439.db2.gz UDHIEPRISLMLSC-OAQYLSRUSA-N 2 1 369.484 3.196 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134896220 495217355 /nfs/dbraw/zinc/21/73/55/495217355.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134896220 495217359 /nfs/dbraw/zinc/21/73/59/495217359.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000134896220 495217364 /nfs/dbraw/zinc/21/73/64/495217364.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134896220 495217376 /nfs/dbraw/zinc/21/73/76/495217376.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134896220 495217383 /nfs/dbraw/zinc/21/73/83/495217383.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 1 369.553 3.372 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134896220 495217387 /nfs/dbraw/zinc/21/73/87/495217387.db2.gz OHEWOMSQVOCPRP-CZTZKLFOSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103314375 495218240 /nfs/dbraw/zinc/21/82/40/495218240.db2.gz JQVGMWZEYOXJAM-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000119759712 495234805 /nfs/dbraw/zinc/23/48/05/495234805.db2.gz YTNHMDCHKNUOHG-GOSISDBHSA-N 2 1 371.550 3.452 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000119782345 495240052 /nfs/dbraw/zinc/24/00/52/495240052.db2.gz YDNIJMUQNDPPPX-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000119782345 495240056 /nfs/dbraw/zinc/24/00/56/495240056.db2.gz YDNIJMUQNDPPPX-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000119782345 495240060 /nfs/dbraw/zinc/24/00/60/495240060.db2.gz YDNIJMUQNDPPPX-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000119896003 495264628 /nfs/dbraw/zinc/26/46/28/495264628.db2.gz YGEFDYIJWQHROX-HXUWFJFHSA-N 2 1 369.513 3.060 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000119945660 495274806 /nfs/dbraw/zinc/27/48/06/495274806.db2.gz SGILJVGOCWPFJL-QGZVFWFLSA-N 2 1 360.523 3.263 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000119945660 495274812 /nfs/dbraw/zinc/27/48/12/495274812.db2.gz SGILJVGOCWPFJL-QGZVFWFLSA-N 2 1 360.523 3.263 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1OC(F)F ZINC000124404218 495281575 /nfs/dbraw/zinc/28/15/75/495281575.db2.gz AAORSAMZTCCMEV-HNNXBMFYSA-N 2 1 355.473 3.212 20 0 FGADMP Cc1oc2ccccc2c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000120000621 495285915 /nfs/dbraw/zinc/28/59/15/495285915.db2.gz UJIWQPBTUXTOPT-UHFFFAOYSA-N 2 1 369.509 3.117 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000577671251 505772375 /nfs/dbraw/zinc/77/23/75/505772375.db2.gz XRCRELDYWUGAHR-IBGZPJMESA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000577671251 505772379 /nfs/dbraw/zinc/77/23/79/505772379.db2.gz XRCRELDYWUGAHR-IBGZPJMESA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000577671251 505772384 /nfs/dbraw/zinc/77/23/84/505772384.db2.gz XRCRELDYWUGAHR-IBGZPJMESA-N 2 1 374.573 3.269 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113552747 495313670 /nfs/dbraw/zinc/31/36/70/495313670.db2.gz GYOHWGRQFIBPCF-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc2n1 ZINC000124700914 495329464 /nfs/dbraw/zinc/32/94/64/495329464.db2.gz RIDYCGFQUJJRRB-FQEVSTJZSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2ccccc2n1 ZINC000124700914 495329466 /nfs/dbraw/zinc/32/94/66/495329466.db2.gz RIDYCGFQUJJRRB-FQEVSTJZSA-N 2 1 352.526 3.145 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530844 495463747 /nfs/dbraw/zinc/46/37/47/495463747.db2.gz RZUMEAINVLIESG-PZJWPPBQSA-N 2 1 370.541 3.140 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000125685550 495482647 /nfs/dbraw/zinc/48/26/47/495482647.db2.gz OCYMUHSXXIBVCJ-GOSISDBHSA-N 2 1 352.567 3.253 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000107328430 495525379 /nfs/dbraw/zinc/52/53/79/495525379.db2.gz AIVOPZFMMUSHCY-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000107369740 495526161 /nfs/dbraw/zinc/52/61/61/495526161.db2.gz CQTWBNMYYGNLFX-RDJZCZTQSA-N 2 1 353.457 3.061 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000143604548 495536519 /nfs/dbraw/zinc/53/65/19/495536519.db2.gz IFPRFIHQLZRTNN-RTBURBONSA-N 2 1 357.542 3.135 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000170627305 495538227 /nfs/dbraw/zinc/53/82/27/495538227.db2.gz OLSQMMBRZNVEID-PZJWPPBQSA-N 2 1 357.542 3.260 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000574513682 505789963 /nfs/dbraw/zinc/78/99/63/505789963.db2.gz LLSPNNLHXYMLJI-UHFFFAOYSA-N 2 1 374.529 3.207 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000173564646 495590700 /nfs/dbraw/zinc/59/07/00/495590700.db2.gz SDGYLWQRMLENRL-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000179453936 495597822 /nfs/dbraw/zinc/59/78/22/495597822.db2.gz WQVSTJMVJXQRJO-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000179453936 495597826 /nfs/dbraw/zinc/59/78/26/495597826.db2.gz WQVSTJMVJXQRJO-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000179453936 495597831 /nfs/dbraw/zinc/59/78/31/495597831.db2.gz WQVSTJMVJXQRJO-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785937 495634565 /nfs/dbraw/zinc/63/45/65/495634565.db2.gz OFYZGTNWVXCBMV-GDBMZVCRSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785937 495634558 /nfs/dbraw/zinc/63/45/58/495634558.db2.gz OFYZGTNWVXCBMV-GDBMZVCRSA-N 2 1 373.324 3.151 20 0 FGADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846933 495654177 /nfs/dbraw/zinc/65/41/77/495654177.db2.gz MQLOGDICYPUEHH-QUCCMNQESA-N 2 1 360.542 3.142 20 0 FGADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846933 495654180 /nfs/dbraw/zinc/65/41/80/495654180.db2.gz MQLOGDICYPUEHH-QUCCMNQESA-N 2 1 360.542 3.142 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665020 495670064 /nfs/dbraw/zinc/67/00/64/495670064.db2.gz GYOBFZIRXMDZLQ-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665020 495670065 /nfs/dbraw/zinc/67/00/65/495670065.db2.gz GYOBFZIRXMDZLQ-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679723 495676448 /nfs/dbraw/zinc/67/64/48/495676448.db2.gz AKMBDHNDHKRSMA-IAGOWNOFSA-N 2 1 359.514 3.185 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679723 495676452 /nfs/dbraw/zinc/67/64/52/495676452.db2.gz AKMBDHNDHKRSMA-IAGOWNOFSA-N 2 1 359.514 3.185 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](CCS(=O)(=O)c2ccccc2)CC1 ZINC000182751961 495688737 /nfs/dbraw/zinc/68/87/37/495688737.db2.gz MIZFOOPHRUBXHV-UHFFFAOYSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185706560 495690447 /nfs/dbraw/zinc/69/04/47/495690447.db2.gz LDDNRUFSYNUHMY-RYRKJORJSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706560 495690456 /nfs/dbraw/zinc/69/04/56/495690456.db2.gz LDDNRUFSYNUHMY-RYRKJORJSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725845 495698294 /nfs/dbraw/zinc/69/82/94/495698294.db2.gz WRMZMHHJCHPLFM-RBUKOAKNSA-N 2 1 369.553 3.425 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725845 495698298 /nfs/dbraw/zinc/69/82/98/495698298.db2.gz WRMZMHHJCHPLFM-RBUKOAKNSA-N 2 1 369.553 3.425 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COCc3cccs3)C2)CC1 ZINC000154736081 495712465 /nfs/dbraw/zinc/71/24/65/495712465.db2.gz WJWDOQCVEKZPPF-MOPGFXCFSA-N 2 1 366.571 3.070 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COCc3cccs3)C2)CC1 ZINC000154736081 495712470 /nfs/dbraw/zinc/71/24/70/495712470.db2.gz WJWDOQCVEKZPPF-MOPGFXCFSA-N 2 1 366.571 3.070 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)on1 ZINC000183140582 495851630 /nfs/dbraw/zinc/85/16/30/495851630.db2.gz MYLQWVNYFOFTIN-KGLIPLIRSA-N 2 1 353.426 3.155 20 0 FGADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000171388766 495851780 /nfs/dbraw/zinc/85/17/80/495851780.db2.gz RWELNALTWXXYJO-UHFFFAOYSA-N 2 1 369.431 3.452 20 0 FGADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000180092268 495854727 /nfs/dbraw/zinc/85/47/27/495854727.db2.gz ACWVRFIHZDENCE-SFHVURJKSA-N 2 1 371.447 3.156 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000174212887 495867633 /nfs/dbraw/zinc/86/76/33/495867633.db2.gz CWUDZLXQHOTIFY-RDJZCZTQSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000174212887 495867642 /nfs/dbraw/zinc/86/76/42/495867642.db2.gz CWUDZLXQHOTIFY-RDJZCZTQSA-N 2 1 374.447 3.109 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000177123587 495935893 /nfs/dbraw/zinc/93/58/93/495935893.db2.gz QERKXKJWKBIFPC-HNNXBMFYSA-N 2 1 369.431 3.452 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174404905 495943978 /nfs/dbraw/zinc/94/39/78/495943978.db2.gz RCJRPLRXKFQROJ-UXHICEINSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174404905 495943984 /nfs/dbraw/zinc/94/39/84/495943984.db2.gz RCJRPLRXKFQROJ-UXHICEINSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174404905 495943990 /nfs/dbraw/zinc/94/39/90/495943990.db2.gz RCJRPLRXKFQROJ-UXHICEINSA-N 2 1 372.484 3.019 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000571815887 505820430 /nfs/dbraw/zinc/82/04/30/505820430.db2.gz MAQUVXASWYIAHD-FHLIZLRMSA-N 2 1 351.922 3.131 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000571815887 505820431 /nfs/dbraw/zinc/82/04/31/505820431.db2.gz MAQUVXASWYIAHD-FHLIZLRMSA-N 2 1 351.922 3.131 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000183683499 496078404 /nfs/dbraw/zinc/07/84/04/496078404.db2.gz WWBVGOYRTSRIPW-AWEZNQCLSA-N 2 1 352.482 3.136 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)C[C@H](C)O1 ZINC000177487120 496082239 /nfs/dbraw/zinc/08/22/39/496082239.db2.gz NCYIDWPTVOCXJK-IYBDPMFKSA-N 2 1 374.485 3.041 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)C[C@H](C)O1 ZINC000177487120 496082247 /nfs/dbraw/zinc/08/22/47/496082247.db2.gz NCYIDWPTVOCXJK-IYBDPMFKSA-N 2 1 374.485 3.041 20 0 FGADMP Cc1ccc(N2CCC([NH2+]Cc3cncc(Br)c3)CC2)[nH+]c1 ZINC000183718672 496091902 /nfs/dbraw/zinc/09/19/02/496091902.db2.gz JPVSWKDSJWFSPP-UHFFFAOYSA-N 2 1 361.287 3.306 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)CCOCC2)cc1 ZINC000152454364 496156210 /nfs/dbraw/zinc/15/62/10/496156210.db2.gz QBEICWUFLSVNRT-WIYYLYMNSA-N 2 1 360.542 3.453 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000571848914 505827754 /nfs/dbraw/zinc/82/77/54/505827754.db2.gz VXRGKNXVPSUQJA-SBHAEUEKSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571848914 505827756 /nfs/dbraw/zinc/82/77/56/505827756.db2.gz VXRGKNXVPSUQJA-SBHAEUEKSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571848914 505827758 /nfs/dbraw/zinc/82/77/58/505827758.db2.gz VXRGKNXVPSUQJA-SBHAEUEKSA-N 2 1 374.573 3.459 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000156264123 496201591 /nfs/dbraw/zinc/20/15/91/496201591.db2.gz DTPNFWIMCYVYEQ-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)c1 ZINC000156264123 496201593 /nfs/dbraw/zinc/20/15/93/496201593.db2.gz DTPNFWIMCYVYEQ-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[N@H+]1Cc1ccccc1 ZINC000161629868 496211203 /nfs/dbraw/zinc/21/12/03/496211203.db2.gz WOALXMLFMNDIBY-SJLPKXTDSA-N 2 1 372.557 3.258 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2cn(-c3ccc(F)c(Cl)c3)nn2)CC1 ZINC000181133735 496282415 /nfs/dbraw/zinc/28/24/15/496282415.db2.gz UHOJQNVQQPOQDJ-UHFFFAOYSA-N 2 1 365.884 3.224 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)c2)cc1 ZINC000574700341 505835632 /nfs/dbraw/zinc/83/56/32/505835632.db2.gz NVLZGFXCHLJAGN-YJBOKZPZSA-N 2 1 353.466 3.259 20 0 FGADMP CC[C@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)[N@H+](C)Cc1ccccc1 ZINC000569043674 505836785 /nfs/dbraw/zinc/83/67/85/505836785.db2.gz NSDWYVPPZZDXGJ-VQTJNVASSA-N 2 1 354.498 3.093 20 0 FGADMP CC[C@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)[N@@H+](C)Cc1ccccc1 ZINC000569043674 505836791 /nfs/dbraw/zinc/83/67/91/505836791.db2.gz NSDWYVPPZZDXGJ-VQTJNVASSA-N 2 1 354.498 3.093 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000162301117 496330749 /nfs/dbraw/zinc/33/07/49/496330749.db2.gz FRINTXNJNCELDJ-OAHLLOKOSA-N 2 1 370.497 3.430 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)c2)cc1 ZINC000574700341 505835630 /nfs/dbraw/zinc/83/56/30/505835630.db2.gz NVLZGFXCHLJAGN-YJBOKZPZSA-N 2 1 353.466 3.259 20 0 FGADMP CN1c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cc2CCC1=O ZINC000187277999 496373581 /nfs/dbraw/zinc/37/35/81/496373581.db2.gz IRWFMIFCCUKZSP-UHFFFAOYSA-N 2 1 355.526 3.482 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CC)CC2)C12CCCCC2 ZINC000181493610 496418090 /nfs/dbraw/zinc/41/80/90/496418090.db2.gz UKLKEPALCIUXRW-PMACEKPBSA-N 2 1 351.579 3.122 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000172770447 496423680 /nfs/dbraw/zinc/42/36/80/496423680.db2.gz PSLRKVMIPNSTJW-NRFANRHFSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000187458727 496449507 /nfs/dbraw/zinc/44/95/07/496449507.db2.gz OGXRMRLNRPOZIP-QFIPXVFZSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000172864194 496466133 /nfs/dbraw/zinc/46/61/33/496466133.db2.gz YMHGHIUIAAFTKL-MJGOQNOKSA-N 2 1 357.542 3.196 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCCOCC3CCOCC3)CC2)cc1 ZINC000157457907 496480672 /nfs/dbraw/zinc/48/06/72/496480672.db2.gz LJQYWCFLGMYYBH-UHFFFAOYSA-N 2 1 360.542 3.116 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000163219572 496483644 /nfs/dbraw/zinc/48/36/44/496483644.db2.gz NCVOCKZDCSRQAS-KBPBESRZSA-N 2 1 368.319 3.098 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000178521694 496485603 /nfs/dbraw/zinc/48/56/03/496485603.db2.gz MLVCRILOOZCYDV-CQSZACIVSA-N 2 1 360.527 3.011 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522096 496486210 /nfs/dbraw/zinc/48/62/10/496486210.db2.gz BFQOCSWSRYYGTH-CXAGYDPISA-N 2 1 367.331 3.434 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2Cl)[C@H](C)C1 ZINC000181652948 496488749 /nfs/dbraw/zinc/48/87/49/496488749.db2.gz TYKJOGXDPAKYLF-AEFFLSMTSA-N 2 1 354.922 3.445 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175673256 496495364 /nfs/dbraw/zinc/49/53/64/496495364.db2.gz CTFBRQQQSLSHMV-QGZVFWFLSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCc1cccs1 ZINC000184743152 496515477 /nfs/dbraw/zinc/51/54/77/496515477.db2.gz NIJSCPFEHDCYJR-IRXDYDNUSA-N 2 1 371.550 3.111 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)c3ccc4c[nH+]cn4c3)C2)s1 ZINC000580838488 505849896 /nfs/dbraw/zinc/84/98/96/505849896.db2.gz AVPPFUKWXHZHIO-INIZCTEOSA-N 2 1 368.506 3.298 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000178697963 496544216 /nfs/dbraw/zinc/54/42/16/496544216.db2.gz FUANCRYFGMWWIL-GJZGRUSLSA-N 2 1 372.538 3.010 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000153779183 496576766 /nfs/dbraw/zinc/57/67/66/496576766.db2.gz MFMHTDAEWMIUBV-MRXNPFEDSA-N 2 1 371.319 3.221 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000153779183 496576769 /nfs/dbraw/zinc/57/67/69/496576769.db2.gz MFMHTDAEWMIUBV-MRXNPFEDSA-N 2 1 371.319 3.221 20 0 FGADMP C[N@H+](Cc1cc(Br)cc2c1OCC2)CC1CC[NH+](C)CC1 ZINC000153850480 496601175 /nfs/dbraw/zinc/60/11/75/496601175.db2.gz WJBSLWRKTOFSCD-UHFFFAOYSA-N 2 1 353.304 3.158 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000158109760 496629089 /nfs/dbraw/zinc/62/90/89/496629089.db2.gz XOSIIVKDAMQGCT-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)C[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000164881860 496637035 /nfs/dbraw/zinc/63/70/35/496637035.db2.gz OAIKBQKSDOWZOE-GOSISDBHSA-N 2 1 357.523 3.046 20 0 FGADMP CC(C)c1ccc([C@@H](CNC(=O)C[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000164881860 496637038 /nfs/dbraw/zinc/63/70/38/496637038.db2.gz OAIKBQKSDOWZOE-GOSISDBHSA-N 2 1 357.523 3.046 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000164881741 496637150 /nfs/dbraw/zinc/63/71/50/496637150.db2.gz JOCKHNSGGAWINE-KXBFYZLASA-N 2 1 371.550 3.434 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)[C@H](C)[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000164881741 496637152 /nfs/dbraw/zinc/63/71/52/496637152.db2.gz JOCKHNSGGAWINE-KXBFYZLASA-N 2 1 371.550 3.434 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3nccnc3C)CC2)cs1 ZINC000187998421 496645620 /nfs/dbraw/zinc/64/56/20/496645620.db2.gz YMPREUACLGYEER-OAHLLOKOSA-N 2 1 359.543 3.367 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1sccc1Br ZINC000571965477 505857251 /nfs/dbraw/zinc/85/72/51/505857251.db2.gz VKBYOSOCRBJXLH-GFCCVEGCSA-N 2 1 360.365 3.187 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260218 496661667 /nfs/dbraw/zinc/66/16/67/496661667.db2.gz ZGSBATQOVPGBDV-IRXDYDNUSA-N 2 1 364.555 3.395 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+](C)C1CC1 ZINC000185124998 496671746 /nfs/dbraw/zinc/67/17/46/496671746.db2.gz SRBWIKNHMIAAEG-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185124998 496671750 /nfs/dbraw/zinc/67/17/50/496671750.db2.gz SRBWIKNHMIAAEG-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000185124998 496671756 /nfs/dbraw/zinc/67/17/56/496671756.db2.gz SRBWIKNHMIAAEG-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000154067393 496673000 /nfs/dbraw/zinc/67/30/00/496673000.db2.gz FAVWRAXRJDCPAT-DOTOQJQBSA-N 2 1 366.933 3.469 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000154100244 496683228 /nfs/dbraw/zinc/68/32/28/496683228.db2.gz TWEKRCFWOZWBOC-NJAFHUGGSA-N 2 1 371.506 3.348 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000154100244 496683230 /nfs/dbraw/zinc/68/32/30/496683230.db2.gz TWEKRCFWOZWBOC-NJAFHUGGSA-N 2 1 371.506 3.348 20 0 FGADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000166500089 496688339 /nfs/dbraw/zinc/68/83/39/496688339.db2.gz WBOFTFYHDXUCHE-UWJYYQICSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](C[NH3+])C3)cc2)C1 ZINC000580882054 505860411 /nfs/dbraw/zinc/86/04/11/505860411.db2.gz NZKHGSIFOUUGJD-UEXGIBASSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000167679460 496705289 /nfs/dbraw/zinc/70/52/89/496705289.db2.gz BBGHVHVHOXXAMD-ZHALLVOQSA-N 2 1 359.514 3.044 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176166226 496710962 /nfs/dbraw/zinc/71/09/62/496710962.db2.gz OBVVGYFJSBEDGI-SFHVURJKSA-N 2 1 364.578 3.347 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)CC2 ZINC000182225622 496713673 /nfs/dbraw/zinc/71/36/73/496713673.db2.gz BPEJVMKONJSOFQ-OFNKIYASSA-N 2 1 366.505 3.429 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000182268952 496723834 /nfs/dbraw/zinc/72/38/34/496723834.db2.gz LZJMDRHEWIJPOT-FPOVZHCZSA-N 2 1 370.468 3.396 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1nc2c(s1)CCCC2 ZINC000182269982 496724056 /nfs/dbraw/zinc/72/40/56/496724056.db2.gz ULTFFGRSXLIVBH-QAPCUYQASA-N 2 1 371.550 3.439 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1nc2c(s1)CCCC2 ZINC000182269982 496724058 /nfs/dbraw/zinc/72/40/58/496724058.db2.gz ULTFFGRSXLIVBH-QAPCUYQASA-N 2 1 371.550 3.439 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000182272969 496724228 /nfs/dbraw/zinc/72/42/28/496724228.db2.gz GDJLOJCLNFIAOA-XZOQPEGZSA-N 2 1 350.506 3.364 20 0 FGADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)s1 ZINC000182273640 496724742 /nfs/dbraw/zinc/72/47/42/496724742.db2.gz OWLNFDXVJPWQED-KDOFPFPSSA-N 2 1 359.539 3.431 20 0 FGADMP COc1ccc(C[C@H](C)C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc1F ZINC000185300784 496726017 /nfs/dbraw/zinc/72/60/17/496726017.db2.gz WJXWZLBCYJDBTJ-KRWDZBQOSA-N 2 1 366.521 3.492 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000182316724 496729446 /nfs/dbraw/zinc/72/94/46/496729446.db2.gz TUKDVXHGPUKKTC-NHCUHLMSSA-N 2 1 372.557 3.154 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000194923682 496761665 /nfs/dbraw/zinc/76/16/65/496761665.db2.gz DVJBTNXQDZYJIB-LJQANCHMSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000247044036 496761722 /nfs/dbraw/zinc/76/17/22/496761722.db2.gz MXJMMFNEGQEFFQ-HUUCEWRRSA-N 2 1 357.340 3.278 20 0 FGADMP COc1ccc([C@H]2C[C@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503218 496787894 /nfs/dbraw/zinc/78/78/94/496787894.db2.gz BWMYKQZIFKNIFO-FPOVZHCZSA-N 2 1 359.558 3.289 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853287 496804067 /nfs/dbraw/zinc/80/40/67/496804067.db2.gz GIDHNKOHWDABMV-CABCVRRESA-N 2 1 374.497 3.454 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853287 496804072 /nfs/dbraw/zinc/80/40/72/496804072.db2.gz GIDHNKOHWDABMV-CABCVRRESA-N 2 1 374.497 3.454 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000574861688 505871389 /nfs/dbraw/zinc/87/13/89/505871389.db2.gz XDKCHOQXXDQDRX-YSIASYRMSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000247540957 496884573 /nfs/dbraw/zinc/88/45/73/496884573.db2.gz QUZCTRPKKCWOLR-FRQCXROJSA-N 2 1 363.546 3.217 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccccc1F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247564047 496889886 /nfs/dbraw/zinc/88/98/86/496889886.db2.gz RCJRPLRXKFQROJ-WOJBJXKFSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247564047 496889891 /nfs/dbraw/zinc/88/98/91/496889891.db2.gz RCJRPLRXKFQROJ-WOJBJXKFSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccccc1F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247564047 496889894 /nfs/dbraw/zinc/88/98/94/496889894.db2.gz RCJRPLRXKFQROJ-WOJBJXKFSA-N 2 1 372.484 3.019 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)NCc1cccnc1-n1cc[nH+]c1C ZINC000264467515 496906045 /nfs/dbraw/zinc/90/60/45/496906045.db2.gz TZFZIVMGEWWYHA-UHFFFAOYSA-N 2 1 357.502 3.094 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000247969684 496934596 /nfs/dbraw/zinc/93/45/96/496934596.db2.gz HEEFJBAPYDYUSS-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000247969684 496934603 /nfs/dbraw/zinc/93/46/03/496934603.db2.gz HEEFJBAPYDYUSS-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124296 496957549 /nfs/dbraw/zinc/95/75/49/496957549.db2.gz NSUDCBXWKSVZHC-CABCVRRESA-N 2 1 355.320 3.337 20 0 FGADMP Cc1cc(NC(=O)CC[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)no1 ZINC000248390755 496992293 /nfs/dbraw/zinc/99/22/93/496992293.db2.gz CHBYDYVLUIBSCD-JIPZTSHUSA-N 2 1 370.497 3.058 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999861 /nfs/dbraw/zinc/99/98/61/496999861.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[N@@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999865 /nfs/dbraw/zinc/99/98/65/496999865.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CC[N@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999870 /nfs/dbraw/zinc/99/98/70/496999870.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 3 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999872 /nfs/dbraw/zinc/99/98/72/496999872.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[NH+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999876 /nfs/dbraw/zinc/99/98/76/496999876.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[N@@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999881 /nfs/dbraw/zinc/99/98/81/496999881.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 2 1 353.554 3.361 20 0 FGADMP c1ccc(C[NH+]2C[C@@H]3CCC[C@H](NC[C@H]4CC[N@H+](C5CC5)C4)[C@H]3C2)cc1 ZINC000248408785 496999883 /nfs/dbraw/zinc/99/98/83/496999883.db2.gz VWQRCBDBJJCKRV-VAPSRWTKSA-N 2 1 353.554 3.361 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248410510 497000596 /nfs/dbraw/zinc/00/05/96/497000596.db2.gz XZVGXXMNMQEQLW-WBADGQHESA-N 3 1 373.585 3.234 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248595991 497052109 /nfs/dbraw/zinc/05/21/09/497052109.db2.gz SUCFAERRMJAARH-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248595991 497052112 /nfs/dbraw/zinc/05/21/12/497052112.db2.gz SUCFAERRMJAARH-DLBZAZTESA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911717 505882059 /nfs/dbraw/zinc/88/20/59/505882059.db2.gz BQZIXADYKPACGR-PKOBYXMFSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911717 505882063 /nfs/dbraw/zinc/88/20/63/505882063.db2.gz BQZIXADYKPACGR-PKOBYXMFSA-N 2 1 352.482 3.053 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248655569 497074017 /nfs/dbraw/zinc/07/40/17/497074017.db2.gz BUPWEJVPNNKKHW-RTBURBONSA-N 2 1 361.917 3.076 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000248655569 497074019 /nfs/dbraw/zinc/07/40/19/497074019.db2.gz BUPWEJVPNNKKHW-RTBURBONSA-N 2 1 361.917 3.076 20 0 FGADMP COc1ccccc1-c1nc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000192340219 497078715 /nfs/dbraw/zinc/07/87/15/497078715.db2.gz OHMSAEGNZHSYJO-QGZVFWFLSA-N 2 1 370.497 3.409 20 0 FGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c(Br)cnn2C)c1 ZINC000278389311 497098418 /nfs/dbraw/zinc/09/84/18/497098418.db2.gz MJSRRRAHNUUBSN-UHFFFAOYSA-N 2 1 365.319 3.314 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823533 497110253 /nfs/dbraw/zinc/11/02/53/497110253.db2.gz FNXXPVCGDHHJEG-CWBXHPNXSA-N 2 1 350.506 3.375 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823537 497110476 /nfs/dbraw/zinc/11/04/76/497110476.db2.gz FNXXPVCGDHHJEG-ODAXIHTASA-N 2 1 350.506 3.375 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@H](C)N3CCOCC3)cc2)CC1 ZINC000265428726 497118095 /nfs/dbraw/zinc/11/80/95/497118095.db2.gz ZUYTXZVWYIFJBX-SFHVURJKSA-N 2 1 374.529 3.028 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000265428726 497118102 /nfs/dbraw/zinc/11/81/02/497118102.db2.gz ZUYTXZVWYIFJBX-SFHVURJKSA-N 2 1 374.529 3.028 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000248872703 497121874 /nfs/dbraw/zinc/12/18/74/497121874.db2.gz QSIMKBUJHIOTBS-YLJYHZDGSA-N 2 1 372.557 3.069 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000270516050 497143157 /nfs/dbraw/zinc/14/31/57/497143157.db2.gz MDXAFKJQFSLABW-LEWJYISDSA-N 2 1 370.541 3.092 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278591329 497159679 /nfs/dbraw/zinc/15/96/79/497159679.db2.gz IEJLTRWHIHNJHA-IBGZPJMESA-N 2 1 359.539 3.109 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000249106333 497167555 /nfs/dbraw/zinc/16/75/55/497167555.db2.gz QLKUOURNUNAYQG-UEXGIBASSA-N 2 1 352.563 3.139 20 0 FGADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000578218144 505889083 /nfs/dbraw/zinc/88/90/83/505889083.db2.gz VHXDCFUHGSIBFJ-UHFFFAOYSA-N 2 1 367.497 3.043 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1 ZINC000192684598 497183472 /nfs/dbraw/zinc/18/34/72/497183472.db2.gz HIIRUWJLPAMQKR-HNNXBMFYSA-N 2 1 352.482 3.232 20 0 FGADMP C[C@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905863 497196683 /nfs/dbraw/zinc/19/66/83/497196683.db2.gz MDWWYBIXORAJJE-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H](C)Cc1ccc(OC)cc1 ZINC000192738113 497200051 /nfs/dbraw/zinc/20/00/51/497200051.db2.gz JHSXPGKPOXTZIR-HXUWFJFHSA-N 2 1 361.574 3.364 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1)[NH+]1CCOCC1 ZINC000237399607 497231175 /nfs/dbraw/zinc/23/11/75/497231175.db2.gz UMZOQAOCNLGVHY-AHRSYUTCSA-N 2 1 359.514 3.316 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C[NH+]1CCCCC1 ZINC000249686888 497231554 /nfs/dbraw/zinc/23/15/54/497231554.db2.gz JLFLRDVQBONTJF-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000249771819 497246782 /nfs/dbraw/zinc/24/67/82/497246782.db2.gz SZZRQQIBWVGPCU-JBYIUTFZSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000237524395 497250141 /nfs/dbraw/zinc/25/01/41/497250141.db2.gz WEQYLQUZFQLZBQ-UWJYYQICSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000237529198 497251397 /nfs/dbraw/zinc/25/13/97/497251397.db2.gz PLVYQKPQLVQXDU-UWJYYQICSA-N 2 1 351.494 3.270 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237585795 497259007 /nfs/dbraw/zinc/25/90/07/497259007.db2.gz RMTMNYAXHGZNRK-UIFIKXQLSA-N 2 1 351.494 3.198 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)C[C@H](C)O1 ZINC000237641291 497267407 /nfs/dbraw/zinc/26/74/07/497267407.db2.gz SFXDZPCRLJRZJW-HOTGVXAUSA-N 2 1 353.466 3.007 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000572126853 505896341 /nfs/dbraw/zinc/89/63/41/505896341.db2.gz OOBHCMBTQRYWGV-FQEVSTJZSA-N 2 1 372.557 3.017 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000572126853 505896344 /nfs/dbraw/zinc/89/63/44/505896344.db2.gz OOBHCMBTQRYWGV-FQEVSTJZSA-N 2 1 372.557 3.017 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000572126853 505896347 /nfs/dbraw/zinc/89/63/47/505896347.db2.gz OOBHCMBTQRYWGV-FQEVSTJZSA-N 2 1 372.557 3.017 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000251503018 497273964 /nfs/dbraw/zinc/27/39/64/497273964.db2.gz FRXIQEGGSRVAKM-OALUTQOASA-N 2 1 372.557 3.012 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872881 497275572 /nfs/dbraw/zinc/27/55/72/497275572.db2.gz XOSCWQMDAUDXDH-TZIWHRDSSA-N 2 1 374.573 3.413 20 0 FGADMP Cc1nn(C)c2ncc(CNC3CC[NH+](Cc4ccccc4C)CC3)cc12 ZINC000237734235 497283151 /nfs/dbraw/zinc/28/31/51/497283151.db2.gz OCGBERNRXVCCHF-UHFFFAOYSA-N 2 1 363.509 3.339 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](Cc4ccccc4C)CC3)cc12 ZINC000237734235 497283157 /nfs/dbraw/zinc/28/31/57/497283157.db2.gz OCGBERNRXVCCHF-UHFFFAOYSA-N 2 1 363.509 3.339 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000278994628 497294896 /nfs/dbraw/zinc/29/48/96/497294896.db2.gz FZJAKDQZRCMDAZ-OAQYLSRUSA-N 2 1 367.493 3.155 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000278994628 497294901 /nfs/dbraw/zinc/29/49/01/497294901.db2.gz FZJAKDQZRCMDAZ-OAQYLSRUSA-N 2 1 367.493 3.155 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278994628 497294907 /nfs/dbraw/zinc/29/49/07/497294907.db2.gz FZJAKDQZRCMDAZ-OAQYLSRUSA-N 2 1 367.493 3.155 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278994628 497294910 /nfs/dbraw/zinc/29/49/10/497294910.db2.gz FZJAKDQZRCMDAZ-OAQYLSRUSA-N 2 1 367.493 3.155 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000237853175 497303041 /nfs/dbraw/zinc/30/30/41/497303041.db2.gz VVAQJXBMRLRFKW-VQTJNVASSA-N 2 1 361.505 3.158 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000237853175 497303044 /nfs/dbraw/zinc/30/30/44/497303044.db2.gz VVAQJXBMRLRFKW-VQTJNVASSA-N 2 1 361.505 3.158 20 0 FGADMP CCOC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193300313 497343848 /nfs/dbraw/zinc/34/38/48/497343848.db2.gz GTSPNQWSAKCTJB-XUBOLADHSA-N 2 1 357.498 3.002 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)c4ccccc43)CC2)CC1 ZINC000575000621 505902178 /nfs/dbraw/zinc/90/21/78/505902178.db2.gz IOFMLISGBLYLHF-KRWDZBQOSA-N 2 1 355.526 3.333 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245424032 497397746 /nfs/dbraw/zinc/39/77/46/497397746.db2.gz RPBWFGKBGFXEDE-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245424032 497397749 /nfs/dbraw/zinc/39/77/49/497397749.db2.gz RPBWFGKBGFXEDE-RTWAWAEBSA-N 2 1 373.516 3.267 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438847 497407171 /nfs/dbraw/zinc/40/71/71/497407171.db2.gz YQNWSCWHFIRWGE-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438847 497407175 /nfs/dbraw/zinc/40/71/75/497407175.db2.gz YQNWSCWHFIRWGE-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245438847 497407181 /nfs/dbraw/zinc/40/71/81/497407181.db2.gz YQNWSCWHFIRWGE-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000275698423 497407350 /nfs/dbraw/zinc/40/73/50/497407350.db2.gz SFNFJSSLZJOXNF-OAQYLSRUSA-N 2 1 351.494 3.394 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245443522 497410036 /nfs/dbraw/zinc/41/00/36/497410036.db2.gz IVSCDGDWHBNLKB-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP Cc1ccc(NC(=O)NC(=O)[C@H](C)N(C)CC[C@H]2CCCC[N@H+]2C)c(C)c1 ZINC000245450959 497413758 /nfs/dbraw/zinc/41/37/58/497413758.db2.gz PBOAGCZONKQHMI-ZWKOTPCHSA-N 2 1 374.529 3.146 20 0 FGADMP C[C@H](CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000261575360 497415834 /nfs/dbraw/zinc/41/58/34/497415834.db2.gz BNELUSGHNHJGRL-VURPSTOHSA-N 2 1 357.542 3.039 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000245461280 497417843 /nfs/dbraw/zinc/41/78/43/497417843.db2.gz MWELCNNOCPCGFV-IXDOHACOSA-N 2 1 350.503 3.244 20 0 FGADMP CC(C)N1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000245461766 497418714 /nfs/dbraw/zinc/41/87/14/497418714.db2.gz GBIMPNXRTRDKNV-UEXGIBASSA-N 2 1 357.542 3.263 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468138 497421432 /nfs/dbraw/zinc/42/14/32/497421432.db2.gz ZTKONHVLBGQXOY-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468138 497421438 /nfs/dbraw/zinc/42/14/38/497421438.db2.gz ZTKONHVLBGQXOY-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468138 497421441 /nfs/dbraw/zinc/42/14/41/497421441.db2.gz ZTKONHVLBGQXOY-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468138 497421449 /nfs/dbraw/zinc/42/14/49/497421449.db2.gz ZTKONHVLBGQXOY-SIKLNZKXSA-N 2 1 368.521 3.367 20 0 FGADMP Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c(C)n1 ZINC000279455659 497444056 /nfs/dbraw/zinc/44/40/56/497444056.db2.gz PRAASFDPUDFTLC-KDURUIRLSA-N 2 1 350.466 3.294 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261772476 497448595 /nfs/dbraw/zinc/44/85/95/497448595.db2.gz XAZQDBXMWRGOEU-BBRMVZONSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261772476 497448601 /nfs/dbraw/zinc/44/86/01/497448601.db2.gz XAZQDBXMWRGOEU-BBRMVZONSA-N 2 1 370.324 3.074 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261875379 497465897 /nfs/dbraw/zinc/46/58/97/497465897.db2.gz RECLXSDEBAKSDZ-SFHVURJKSA-N 2 1 357.542 3.457 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)CC1 ZINC000271872133 497475640 /nfs/dbraw/zinc/47/56/40/497475640.db2.gz QLPWRNBCFPJDNH-JOCHJYFZSA-N 2 1 363.505 3.315 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000261935267 497478623 /nfs/dbraw/zinc/47/86/23/497478623.db2.gz DDNJBFZSIFQVET-QGZVFWFLSA-N 2 1 350.388 3.077 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000261965222 497484157 /nfs/dbraw/zinc/48/41/57/497484157.db2.gz SQSQOZJCTPZOJQ-LVCYWYKZSA-N 2 1 369.553 3.170 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000261977012 497486107 /nfs/dbraw/zinc/48/61/07/497486107.db2.gz GMABSKNCCWDOSF-INIZCTEOSA-N 2 1 361.555 3.225 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@H]2CCCO2)C3)cc1 ZINC000245650368 497488123 /nfs/dbraw/zinc/48/81/23/497488123.db2.gz CIJIRKCQZYAJNI-CIAFKFPVSA-N 2 1 358.526 3.357 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000245658946 497491213 /nfs/dbraw/zinc/49/12/13/497491213.db2.gz PDFBQKLNRGBOAU-LEWJYISDSA-N 2 1 372.557 3.387 20 0 FGADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671753 497495136 /nfs/dbraw/zinc/49/51/36/497495136.db2.gz HLPWQAVQHNQLMJ-KAOXLYBCSA-N 2 1 350.506 3.375 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000262079141 497504673 /nfs/dbraw/zinc/50/46/73/497504673.db2.gz AQCBGBICVKFFNM-XMSQKQJNSA-N 2 1 365.521 3.105 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694903 497505251 /nfs/dbraw/zinc/50/52/51/497505251.db2.gz CDBTVZXNQSTMGT-PKOBYXMFSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694903 497505258 /nfs/dbraw/zinc/50/52/58/497505258.db2.gz CDBTVZXNQSTMGT-PKOBYXMFSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694903 497505262 /nfs/dbraw/zinc/50/52/62/497505262.db2.gz CDBTVZXNQSTMGT-PKOBYXMFSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(OC)cn2)CC1 ZINC000272032614 497518029 /nfs/dbraw/zinc/51/80/29/497518029.db2.gz NCCVEQKMUHQSEB-INIZCTEOSA-N 2 1 372.488 3.222 20 0 FGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740163 497523222 /nfs/dbraw/zinc/52/32/22/497523222.db2.gz RLFAQAZIBYGAQC-AYWYSENESA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740163 497523223 /nfs/dbraw/zinc/52/32/23/497523223.db2.gz RLFAQAZIBYGAQC-AYWYSENESA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267369456 497534574 /nfs/dbraw/zinc/53/45/74/497534574.db2.gz SKROTCBEDOPHLR-WIYYLYMNSA-N 2 1 372.557 3.069 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000262312515 497538308 /nfs/dbraw/zinc/53/83/08/497538308.db2.gz PWSWHCLAYAEGNS-WHOFXGATSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000262312515 497538311 /nfs/dbraw/zinc/53/83/11/497538311.db2.gz PWSWHCLAYAEGNS-WHOFXGATSA-N 2 1 369.303 3.026 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(Br)cc21 ZINC000193983022 497538783 /nfs/dbraw/zinc/53/87/83/497538783.db2.gz GMZDLODJMRGRRC-AEFFLSMTSA-N 2 1 367.331 3.263 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245831489 497545858 /nfs/dbraw/zinc/54/58/58/497545858.db2.gz BTCUDXCNPDUIIK-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CCOCC1 ZINC000194041303 497555719 /nfs/dbraw/zinc/55/57/19/497555719.db2.gz BWGGFBLICUNOSX-UHFFFAOYSA-N 2 1 367.331 3.396 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000245897333 497563642 /nfs/dbraw/zinc/56/36/42/497563642.db2.gz NHFWUEMQXFIWAL-DXBBTUNJSA-N 2 1 371.569 3.158 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000245913381 497569433 /nfs/dbraw/zinc/56/94/33/497569433.db2.gz XMSUVANVZSMETP-RLLQIKCJSA-N 2 1 372.557 3.384 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000272232143 497572420 /nfs/dbraw/zinc/57/24/20/497572420.db2.gz URPGBWVNWFIPSJ-UZLBHIALSA-N 2 1 363.509 3.277 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccc(Cl)cc1 ZINC000194129833 497581870 /nfs/dbraw/zinc/58/18/70/497581870.db2.gz ZIQYOVKXZOMEIJ-GOSISDBHSA-N 2 1 363.889 3.153 20 0 FGADMP CCS(=O)(=O)CCCCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276508085 497590045 /nfs/dbraw/zinc/59/00/45/497590045.db2.gz UMTAVJAYHMOVCS-HXUWFJFHSA-N 2 1 366.571 3.045 20 0 FGADMP CCS(=O)(=O)CCCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000276508085 497590050 /nfs/dbraw/zinc/59/00/50/497590050.db2.gz UMTAVJAYHMOVCS-HXUWFJFHSA-N 2 1 366.571 3.045 20 0 FGADMP CCS(=O)(=O)CCCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000276508085 497590052 /nfs/dbraw/zinc/59/00/52/497590052.db2.gz UMTAVJAYHMOVCS-HXUWFJFHSA-N 2 1 366.571 3.045 20 0 FGADMP CCS(=O)(=O)CCCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276508085 497590056 /nfs/dbraw/zinc/59/00/56/497590056.db2.gz UMTAVJAYHMOVCS-HXUWFJFHSA-N 2 1 366.571 3.045 20 0 FGADMP O[C@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246085436 497616928 /nfs/dbraw/zinc/61/69/28/497616928.db2.gz HNDQDLCAOOIZNH-PKOBYXMFSA-N 2 1 370.459 3.417 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155060 497639476 /nfs/dbraw/zinc/63/94/76/497639476.db2.gz WHUOPOFIDLBMQG-WMZOPIPTSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155060 497639479 /nfs/dbraw/zinc/63/94/79/497639479.db2.gz WHUOPOFIDLBMQG-WMZOPIPTSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246155060 497639485 /nfs/dbraw/zinc/63/94/85/497639485.db2.gz WHUOPOFIDLBMQG-WMZOPIPTSA-N 2 1 358.448 3.273 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nc(C(=O)OC)cs3)c2)[C@@H](C)C1 ZINC000276745285 497642481 /nfs/dbraw/zinc/64/24/81/497642481.db2.gz GZDCQBBNKRGCMI-WMLDXEAASA-N 2 1 373.522 3.417 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000246198603 497657005 /nfs/dbraw/zinc/65/70/05/497657005.db2.gz MVIBKDMQAMWPPV-PZJWPPBQSA-N 2 1 372.557 3.197 20 0 FGADMP O=C(Nc1ccccc1)C1([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000572234147 505921002 /nfs/dbraw/zinc/92/10/02/505921002.db2.gz AYBALUHFDFMMPW-GHTZIAJQSA-N 2 1 363.461 3.003 20 0 FGADMP O=C(Nc1ccccc1)C1([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000572234148 505921284 /nfs/dbraw/zinc/92/12/84/505921284.db2.gz AYBALUHFDFMMPW-NQIIRXRSSA-N 2 1 363.461 3.003 20 0 FGADMP c1ccc(-c2noc(CCN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000246275179 497680447 /nfs/dbraw/zinc/68/04/47/497680447.db2.gz ANROMQICKJPQRM-HKUYNNGSSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246275179 497680454 /nfs/dbraw/zinc/68/04/54/497680454.db2.gz ANROMQICKJPQRM-HKUYNNGSSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000246275179 497680458 /nfs/dbraw/zinc/68/04/58/497680458.db2.gz ANROMQICKJPQRM-HKUYNNGSSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000246275179 497680464 /nfs/dbraw/zinc/68/04/64/497680464.db2.gz ANROMQICKJPQRM-HKUYNNGSSA-N 2 1 352.482 3.228 20 0 FGADMP C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695451 497703942 /nfs/dbraw/zinc/70/39/42/497703942.db2.gz WYNPOTABAQXYOO-AZUAARDMSA-N 2 1 367.541 3.047 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1=CC[N@@H+](C)CC1 ZINC000272721686 497711989 /nfs/dbraw/zinc/71/19/89/497711989.db2.gz JFJFWRQYMBPSJD-IAGOWNOFSA-N 2 1 358.530 3.065 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246409116 497724557 /nfs/dbraw/zinc/72/45/57/497724557.db2.gz DYTCHRQKVKHOJN-CWJKEVGVSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237871 497739567 /nfs/dbraw/zinc/73/95/67/497739567.db2.gz OGSZMGDNABTYGQ-UYAOXDASSA-N 2 1 363.933 3.282 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237871 497739571 /nfs/dbraw/zinc/73/95/71/497739571.db2.gz OGSZMGDNABTYGQ-UYAOXDASSA-N 2 1 363.933 3.282 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000272854472 497745433 /nfs/dbraw/zinc/74/54/33/497745433.db2.gz IGQDMQSILKNYBH-UTKZUKDTSA-N 2 1 354.494 3.421 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465998 497758007 /nfs/dbraw/zinc/75/80/07/497758007.db2.gz LSIDIBOFIRHUAF-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465998 497758010 /nfs/dbraw/zinc/75/80/10/497758010.db2.gz LSIDIBOFIRHUAF-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465998 497758014 /nfs/dbraw/zinc/75/80/14/497758014.db2.gz LSIDIBOFIRHUAF-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465998 497758017 /nfs/dbraw/zinc/75/80/17/497758017.db2.gz LSIDIBOFIRHUAF-OAQYLSRUSA-N 2 1 357.542 3.028 20 0 FGADMP COc1ccc2c(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000246527415 497764007 /nfs/dbraw/zinc/76/40/07/497764007.db2.gz JEKUCIRXRKPWPC-YWZLYKJASA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000246527415 497764011 /nfs/dbraw/zinc/76/40/11/497764011.db2.gz JEKUCIRXRKPWPC-YWZLYKJASA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000246527415 497764022 /nfs/dbraw/zinc/76/40/22/497764022.db2.gz JEKUCIRXRKPWPC-YWZLYKJASA-N 2 1 368.477 3.250 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578982 497780514 /nfs/dbraw/zinc/78/05/14/497780514.db2.gz TVOQUUCESQAKBT-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578982 497780518 /nfs/dbraw/zinc/78/05/18/497780518.db2.gz TVOQUUCESQAKBT-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246578982 497780525 /nfs/dbraw/zinc/78/05/25/497780525.db2.gz TVOQUUCESQAKBT-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000246583445 497781612 /nfs/dbraw/zinc/78/16/12/497781612.db2.gz YTMAKLPQQXFEJQ-IWMITWMQSA-N 2 1 359.514 3.064 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000246667855 497797433 /nfs/dbraw/zinc/79/74/33/497797433.db2.gz UVSZMWGZJIXJGP-DCCYDQLOSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000263766748 497814293 /nfs/dbraw/zinc/81/42/93/497814293.db2.gz ROMBNFWJKATLNG-CALCHBBNSA-N 2 1 370.497 3.058 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)C[C@H](C)O1 ZINC000263766748 497814294 /nfs/dbraw/zinc/81/42/94/497814294.db2.gz ROMBNFWJKATLNG-CALCHBBNSA-N 2 1 370.497 3.058 20 0 FGADMP Cc1cn2c(n1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000364242262 497858232 /nfs/dbraw/zinc/85/82/32/497858232.db2.gz GNECIWDUYIEPCB-NCYKPQTJSA-N 2 1 350.510 3.292 20 0 FGADMP CN(C(=O)CC1CC[NH2+]CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364245093 497859875 /nfs/dbraw/zinc/85/98/75/497859875.db2.gz HFFFOQQCCQTSEB-WCRBZPEASA-N 2 1 355.526 3.030 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000288686802 497869407 /nfs/dbraw/zinc/86/94/07/497869407.db2.gz XPWZXMOXWLOZQG-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268988 497871654 /nfs/dbraw/zinc/87/16/54/497871654.db2.gz YDNNKPWCZVYFKV-LPHOPBHVSA-N 2 1 354.502 3.056 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000364270828 497873019 /nfs/dbraw/zinc/87/30/19/497873019.db2.gz GVNVMACJNPDMSM-FGTMMUONSA-N 2 1 361.534 3.226 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292093301 497874380 /nfs/dbraw/zinc/87/43/80/497874380.db2.gz HBWHEJJCDSPBOR-DYVFJYSZSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119683 497886690 /nfs/dbraw/zinc/88/66/90/497886690.db2.gz KDLABJAYYHXNRH-KRWDZBQOSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119683 497886698 /nfs/dbraw/zinc/88/66/98/497886698.db2.gz KDLABJAYYHXNRH-KRWDZBQOSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119683 497886704 /nfs/dbraw/zinc/88/67/04/497886704.db2.gz KDLABJAYYHXNRH-KRWDZBQOSA-N 2 1 355.404 3.062 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000299686127 497894155 /nfs/dbraw/zinc/89/41/55/497894155.db2.gz XWOKQYNPFQJJMH-UHFFFAOYSA-N 2 1 362.477 3.254 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000299686127 497894159 /nfs/dbraw/zinc/89/41/59/497894159.db2.gz XWOKQYNPFQJJMH-UHFFFAOYSA-N 2 1 362.477 3.254 20 0 FGADMP Cc1cccc(C(=O)N2CCC[N@@H+](CCCc3cnccc3C)CC2)c1 ZINC000289009424 497978203 /nfs/dbraw/zinc/97/82/03/497978203.db2.gz FNKBQBRSCGTKJZ-UHFFFAOYSA-N 2 1 351.494 3.479 20 0 FGADMP CN(C(=O)NCc1ccccc1C[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289021413 497982240 /nfs/dbraw/zinc/98/22/40/497982240.db2.gz IHBBCEOLPSIMCA-WCRBZPEASA-N 2 1 370.541 3.049 20 0 FGADMP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CCN(c2ccccn2)CC1 ZINC000572413810 505963663 /nfs/dbraw/zinc/96/36/63/505963663.db2.gz VUDZPKKIWRGNOU-UHFFFAOYSA-N 2 1 364.537 3.466 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CCN(CCOc3ccc(Cl)cc3Cl)CC2)C1 ZINC000364547551 498016787 /nfs/dbraw/zinc/01/67/87/498016787.db2.gz RNJIFZOEWPEHPH-MRXNPFEDSA-N 2 1 372.340 3.084 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccc(Cl)cc1 ZINC000285410742 498075528 /nfs/dbraw/zinc/07/55/28/498075528.db2.gz FVIILVIDBNXKGS-GICJRAOTSA-N 2 1 366.933 3.336 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000285410742 498075533 /nfs/dbraw/zinc/07/55/33/498075533.db2.gz FVIILVIDBNXKGS-GICJRAOTSA-N 2 1 366.933 3.336 20 0 FGADMP C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285458174 498091819 /nfs/dbraw/zinc/09/18/19/498091819.db2.gz ZUQJYIYAXRBQBF-RDABAPPSSA-N 2 1 372.601 3.045 20 0 FGADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285458174 498091811 /nfs/dbraw/zinc/09/18/11/498091811.db2.gz ZUQJYIYAXRBQBF-RDABAPPSSA-N 3 1 372.601 3.045 20 0 FGADMP C[C@H](CCN1CCN(C)CC1)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285458174 498091826 /nfs/dbraw/zinc/09/18/26/498091826.db2.gz ZUQJYIYAXRBQBF-RDABAPPSSA-N 2 1 372.601 3.045 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402590 505979589 /nfs/dbraw/zinc/97/95/89/505979589.db2.gz STLLFUHZWYBZKK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000581402590 505979590 /nfs/dbraw/zinc/97/95/90/505979590.db2.gz STLLFUHZWYBZKK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000581402590 505979591 /nfs/dbraw/zinc/97/95/91/505979591.db2.gz STLLFUHZWYBZKK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364767642 498134307 /nfs/dbraw/zinc/13/43/07/498134307.db2.gz BOSMWSVQTVGLSK-QMMLZNLJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC1 ZINC000569675749 505990509 /nfs/dbraw/zinc/99/05/09/505990509.db2.gz TUFHCTRNXVLDDG-ZWKOTPCHSA-N 2 1 372.557 3.330 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@H]1c1cccc(Cl)c1 ZINC000364852387 498172852 /nfs/dbraw/zinc/17/28/52/498172852.db2.gz UAIGUFKZJLPGLI-FXAWDEMLSA-N 2 1 363.933 3.229 20 0 FGADMP CCc1noc(C)c1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000292873884 498179070 /nfs/dbraw/zinc/17/90/70/498179070.db2.gz DIRLBAHLUSFFAP-UHFFFAOYSA-N 2 1 356.514 3.366 20 0 FGADMP CC(C)N1CCc2nc(CN3CC[C@@H](C(C)(C)C)[C@H](O)C3)sc2C1 ZINC000359963190 498231792 /nfs/dbraw/zinc/23/17/92/498231792.db2.gz YFBOPPUIZYYMCJ-GDBMZVCRSA-N 2 1 351.560 3.139 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000581492855 506000898 /nfs/dbraw/zinc/00/08/98/506000898.db2.gz VCMKDAKKNLAFSB-HXUWFJFHSA-N 2 1 366.509 3.056 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCNC(=O)C2CCC2)CC1 ZINC000285946047 498249244 /nfs/dbraw/zinc/24/92/44/498249244.db2.gz DRULFZANPSPZAU-UHFFFAOYSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C[C@H](C)O1 ZINC000360696809 498298507 /nfs/dbraw/zinc/29/85/07/498298507.db2.gz FKJIFQMYQZATLC-RVKKMQEKSA-N 2 1 363.477 3.078 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360717839 498301618 /nfs/dbraw/zinc/30/16/18/498301618.db2.gz XHSQFHQCFREVGO-FXMYGGSYSA-N 2 1 355.448 3.312 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360717839 498301623 /nfs/dbraw/zinc/30/16/23/498301623.db2.gz XHSQFHQCFREVGO-FXMYGGSYSA-N 2 1 355.448 3.312 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790281 498308262 /nfs/dbraw/zinc/30/82/62/498308262.db2.gz DJHJGXWRYBHPQO-URVUXULASA-N 2 1 359.477 3.206 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790281 498308270 /nfs/dbraw/zinc/30/82/70/498308270.db2.gz DJHJGXWRYBHPQO-URVUXULASA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790281 498308276 /nfs/dbraw/zinc/30/82/76/498308276.db2.gz DJHJGXWRYBHPQO-URVUXULASA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790281 498308281 /nfs/dbraw/zinc/30/82/81/498308281.db2.gz DJHJGXWRYBHPQO-URVUXULASA-N 2 1 359.477 3.206 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000360813109 498313994 /nfs/dbraw/zinc/31/39/94/498313994.db2.gz WCMQLUYIZOMXLH-NXHRZFHOSA-N 2 1 365.587 3.462 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000290032945 498402450 /nfs/dbraw/zinc/40/24/50/498402450.db2.gz QIXBNHMFNPQTOO-LJQANCHMSA-N 2 1 360.933 3.007 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293529697 498404452 /nfs/dbraw/zinc/40/44/52/498404452.db2.gz JHZDYDZEBNLDDF-UHFFFAOYSA-N 2 1 362.905 3.252 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@@H]1c1cccs1 ZINC000361717103 498423155 /nfs/dbraw/zinc/42/31/55/498423155.db2.gz AXUIBBQJUFXXSI-WAXPSYRMSA-N 2 1 361.555 3.168 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)C2 ZINC000290097441 498427910 /nfs/dbraw/zinc/42/79/10/498427910.db2.gz HSZIRYAOPIZPQD-CTNGQTDRSA-N 2 1 366.509 3.016 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C3CCC4(CC4)CC3)c2)C1 ZINC000581642916 506034858 /nfs/dbraw/zinc/03/48/58/506034858.db2.gz KWSYHBWXTZJEFN-IBGZPJMESA-N 2 1 355.526 3.196 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000282307749 498461429 /nfs/dbraw/zinc/46/14/29/498461429.db2.gz MUNKPBIIPBMRKV-GOSISDBHSA-N 2 1 352.526 3.425 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860729 498478619 /nfs/dbraw/zinc/47/86/19/498478619.db2.gz YMNASNLYAAFDEK-NUJGCVRESA-N 2 1 372.513 3.245 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000293757343 498479220 /nfs/dbraw/zinc/47/92/20/498479220.db2.gz YQSIWABUYBUCCX-APWZRJJASA-N 2 1 365.477 3.160 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000293757343 498479224 /nfs/dbraw/zinc/47/92/24/498479224.db2.gz YQSIWABUYBUCCX-APWZRJJASA-N 2 1 365.477 3.160 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)C2 ZINC000290258314 498485244 /nfs/dbraw/zinc/48/52/44/498485244.db2.gz ALFZJJLPOBWACB-SFHVURJKSA-N 2 1 352.482 3.031 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000290275790 498490841 /nfs/dbraw/zinc/49/08/41/498490841.db2.gz LVMLLUPCFFYODD-QGZVFWFLSA-N 2 1 350.503 3.136 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000302502420 498495344 /nfs/dbraw/zinc/49/53/44/498495344.db2.gz ALJXGFGBKNOVBT-CQSZACIVSA-N 2 1 358.267 3.111 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000293852621 498511306 /nfs/dbraw/zinc/51/13/06/498511306.db2.gz DEVLLDZFXRIOQT-QFIPXVFZSA-N 2 1 355.526 3.230 20 0 FGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333271 498512419 /nfs/dbraw/zinc/51/24/19/498512419.db2.gz DWTQYLYECJDUEQ-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333271 498512427 /nfs/dbraw/zinc/51/24/27/498512427.db2.gz DWTQYLYECJDUEQ-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333271 498512431 /nfs/dbraw/zinc/51/24/31/498512431.db2.gz DWTQYLYECJDUEQ-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000290333271 498512437 /nfs/dbraw/zinc/51/24/37/498512437.db2.gz DWTQYLYECJDUEQ-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP c1c(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(-c2ccccc2)nn1-c1ccccc1 ZINC000575970669 506045912 /nfs/dbraw/zinc/04/59/12/506045912.db2.gz ISCSQODNYZKCDH-NRFANRHFSA-N 2 1 362.477 3.007 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000290387305 498533885 /nfs/dbraw/zinc/53/38/85/498533885.db2.gz IMZKWCKPWNLQKF-KRWDZBQOSA-N 2 1 373.497 3.298 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(O[C@@H](C)C(=O)OC)cc1 ZINC000290387305 498533890 /nfs/dbraw/zinc/53/38/90/498533890.db2.gz IMZKWCKPWNLQKF-KRWDZBQOSA-N 2 1 373.497 3.298 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@@H](C)C1 ZINC000282494861 498534678 /nfs/dbraw/zinc/53/46/78/498534678.db2.gz XROIMBFDUIVXKC-ZWOKBUDYSA-N 2 1 355.526 3.362 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000290397520 498537347 /nfs/dbraw/zinc/53/73/47/498537347.db2.gz SRQBBLJPFAEGAY-MSOLQXFVSA-N 2 1 368.481 3.089 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000297734484 498553246 /nfs/dbraw/zinc/55/32/46/498553246.db2.gz SOUNNJYSXQNMDK-UHFFFAOYSA-N 2 1 353.388 3.277 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581724452 506053757 /nfs/dbraw/zinc/05/37/57/506053757.db2.gz FPIBBZJPLRJYQP-WMZOPIPTSA-N 2 1 355.885 3.119 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[NH2+]C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000581724452 506053759 /nfs/dbraw/zinc/05/37/59/506053759.db2.gz FPIBBZJPLRJYQP-WMZOPIPTSA-N 2 1 355.885 3.119 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)Cc1nc2ccccn2c1Br ZINC000290454573 498559792 /nfs/dbraw/zinc/55/97/92/498559792.db2.gz MNERDFPWDYLPSB-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000365672664 498590970 /nfs/dbraw/zinc/59/09/70/498590970.db2.gz ICVBJECAVHSVKL-AEFFLSMTSA-N 2 1 368.525 3.275 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000365735226 498619495 /nfs/dbraw/zinc/61/94/95/498619495.db2.gz KDQCUNNMTPVLBL-UHFFFAOYSA-N 2 1 353.466 3.135 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000290639877 498629955 /nfs/dbraw/zinc/62/99/55/498629955.db2.gz YLHJOECUGJQRQF-UHFFFAOYSA-N 2 1 361.486 3.384 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000290639877 498629961 /nfs/dbraw/zinc/62/99/61/498629961.db2.gz YLHJOECUGJQRQF-UHFFFAOYSA-N 2 1 361.486 3.384 20 0 FGADMP Cn1ncc(C[NH2+]Cc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)n1 ZINC000294263292 498637373 /nfs/dbraw/zinc/63/73/73/498637373.db2.gz VBXAXZKRDYDCNV-UHFFFAOYSA-N 2 1 361.493 3.368 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC(CC[NH3+])CC2)c(OC)c1 ZINC000581828296 506068807 /nfs/dbraw/zinc/06/88/07/506068807.db2.gz WAYOAHUYTXEFES-UHFFFAOYSA-N 2 1 357.292 3.027 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000303434789 498673218 /nfs/dbraw/zinc/67/32/18/498673218.db2.gz DCZLYGZHCATISH-QGZVFWFLSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000303434789 498673225 /nfs/dbraw/zinc/67/32/25/498673225.db2.gz DCZLYGZHCATISH-QGZVFWFLSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000303485517 498679737 /nfs/dbraw/zinc/67/97/37/498679737.db2.gz QYUWGBGXRUBGHW-FQEVSTJZSA-N 2 1 374.573 3.318 20 0 FGADMP Cn1cc([C@H]2[C@@H](CNCc3c(F)cccc3Cl)CCC[N@@H+]2C)cn1 ZINC000363177780 498687747 /nfs/dbraw/zinc/68/77/47/498687747.db2.gz YKNOKSQYEMDKMH-FZKQIMNGSA-N 2 1 350.869 3.385 20 0 FGADMP Cn1cc([C@H]2[C@@H](CNCc3c(F)cccc3Cl)CCC[N@H+]2C)cn1 ZINC000363177780 498687754 /nfs/dbraw/zinc/68/77/54/498687754.db2.gz YKNOKSQYEMDKMH-FZKQIMNGSA-N 2 1 350.869 3.385 20 0 FGADMP Cn1cc([C@@H]2[C@@H](CNCc3csc(C(C)(C)C)n3)CCC[N@H+]2C)cn1 ZINC000363177707 498687991 /nfs/dbraw/zinc/68/79/91/498687991.db2.gz XNIZSYUYQOJCDX-PBHICJAKSA-N 2 1 361.559 3.347 20 0 FGADMP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3csc(C(C)(C)C)n3)CCCN2C)cn1 ZINC000363177707 498687994 /nfs/dbraw/zinc/68/79/94/498687994.db2.gz XNIZSYUYQOJCDX-PBHICJAKSA-N 2 1 361.559 3.347 20 0 FGADMP Cc1ccc(/C=C/C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000365911102 498695897 /nfs/dbraw/zinc/69/58/97/498695897.db2.gz DMMSKHBGVCDVEV-VOTSOKGWSA-N 2 1 373.541 3.256 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363260485 498732911 /nfs/dbraw/zinc/73/29/11/498732911.db2.gz WSPYAOAXNLXMEQ-BDTNDASRSA-N 2 1 367.537 3.229 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306680 498753921 /nfs/dbraw/zinc/75/39/21/498753921.db2.gz KFOGHHZEPGLVAC-AEFFLSMTSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306680 498753926 /nfs/dbraw/zinc/75/39/26/498753926.db2.gz KFOGHHZEPGLVAC-AEFFLSMTSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306682 498754456 /nfs/dbraw/zinc/75/44/56/498754456.db2.gz KFOGHHZEPGLVAC-SJLPKXTDSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3ccccc3)o2)C1 ZINC000363306682 498754462 /nfs/dbraw/zinc/75/44/62/498754462.db2.gz KFOGHHZEPGLVAC-SJLPKXTDSA-N 2 1 358.486 3.230 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000570089167 506087824 /nfs/dbraw/zinc/08/78/24/506087824.db2.gz XFIJWTAPZUMHJR-BTYIYWSLSA-N 2 1 360.461 3.245 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000314707572 498779376 /nfs/dbraw/zinc/77/93/76/498779376.db2.gz UBMVLPKGLWITHE-OAHLLOKOSA-N 2 1 350.260 3.458 20 0 FGADMP C[NH+](C)C[C@H](Cc1ccccc1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000291076423 498783339 /nfs/dbraw/zinc/78/33/39/498783339.db2.gz FYKGYEYGKJQZNW-SFHVURJKSA-N 2 1 357.464 3.166 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363373020 498786296 /nfs/dbraw/zinc/78/62/96/498786296.db2.gz AVUHHLGMTBOTGS-LEWJYISDSA-N 2 1 370.541 3.463 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572944663 506089918 /nfs/dbraw/zinc/08/99/18/506089918.db2.gz WMSNJWWSIXQXLF-MISYRCLQSA-N 2 1 364.578 3.190 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000316938734 498790075 /nfs/dbraw/zinc/79/00/75/498790075.db2.gz GQXJCRFXVWVFOB-JSGCOSHPSA-N 2 1 369.303 3.183 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000316938734 498790077 /nfs/dbraw/zinc/79/00/77/498790077.db2.gz GQXJCRFXVWVFOB-JSGCOSHPSA-N 2 1 369.303 3.183 20 0 FGADMP O=C(OCc1ccccc1)c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c[nH]1 ZINC000294743058 498790195 /nfs/dbraw/zinc/79/01/95/498790195.db2.gz JZEGXXKTSDDHFK-UHFFFAOYSA-N 2 1 353.466 3.088 20 0 FGADMP OC1(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287692510 498839314 /nfs/dbraw/zinc/83/93/14/498839314.db2.gz WTLMVABSGNTKKF-FDFHNCONSA-N 2 1 372.553 3.198 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000294998146 498875274 /nfs/dbraw/zinc/87/52/74/498875274.db2.gz LUNPOADPRZLNBN-JXFKEZNVSA-N 2 1 361.505 3.340 20 0 FGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)CC2)C1 ZINC000328646861 498888775 /nfs/dbraw/zinc/88/87/75/498888775.db2.gz SVDUXKWXQRMXJG-ZRRCRCOKSA-N 2 1 373.545 3.213 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)[C@@H](C)c1ccccc1 ZINC000363788812 498993990 /nfs/dbraw/zinc/99/39/90/498993990.db2.gz YCZJUKVZTNXMFM-QZTJIDSGSA-N 2 1 369.557 3.152 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000288436906 499024891 /nfs/dbraw/zinc/02/48/91/499024891.db2.gz BZJCRCIGHTWYCC-UHFFFAOYSA-N 2 1 353.388 3.119 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000299471958 499070076 /nfs/dbraw/zinc/07/00/76/499070076.db2.gz YNQFLZAPDCDBAV-MJGOQNOKSA-N 2 1 372.513 3.006 20 0 FGADMP CC1(C(=O)N2CCC(c3cnc[nH]3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000372469744 499131055 /nfs/dbraw/zinc/13/10/55/499131055.db2.gz AQUOGFDRCYKGIY-UHFFFAOYSA-N 2 1 366.509 3.418 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000366997016 499131819 /nfs/dbraw/zinc/13/18/19/499131819.db2.gz PXHWQTYTNSRNAJ-LPHOPBHVSA-N 2 1 362.543 3.154 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000366997016 499131820 /nfs/dbraw/zinc/13/18/20/499131820.db2.gz PXHWQTYTNSRNAJ-LPHOPBHVSA-N 2 1 362.543 3.154 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488984 499133970 /nfs/dbraw/zinc/13/39/70/499133970.db2.gz CJFQGZQOMFICKK-IFMALSPDSA-N 2 1 355.526 3.067 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cccc(OC)c2)[C@@H]1c1cnn(C)c1 ZINC000372518445 499137332 /nfs/dbraw/zinc/13/73/32/499137332.db2.gz RJRDCTMEZSVOQR-GHTZIAJQSA-N 2 1 356.514 3.334 20 0 FGADMP Cc1cccc(C[NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)c1 ZINC000369892261 499146587 /nfs/dbraw/zinc/14/65/87/499146587.db2.gz LPEKFJOXIFFIIZ-RXVVDRJESA-N 2 1 372.557 3.084 20 0 FGADMP COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199370 499160452 /nfs/dbraw/zinc/16/04/52/499160452.db2.gz JJSBDNGCNVMEGZ-QZTJIDSGSA-N 2 1 373.541 3.069 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209986 499162510 /nfs/dbraw/zinc/16/25/10/499162510.db2.gz YLAALSIWICMWBU-AUUYWEPGSA-N 2 1 350.453 3.195 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2(C)CC[NH+](C)CC2)cc1 ZINC000369992414 499162865 /nfs/dbraw/zinc/16/28/65/499162865.db2.gz BWSWPUFFQFVKRV-INIZCTEOSA-N 2 1 369.513 3.273 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367342042 499184610 /nfs/dbraw/zinc/18/46/10/499184610.db2.gz JHWBNTQXWMOJSG-UHFFFAOYSA-N 2 1 369.513 3.167 20 0 FGADMP CC1CCC(O)(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000370190158 499195609 /nfs/dbraw/zinc/19/56/09/499195609.db2.gz DRIMCQFLSRHKKI-UHFFFAOYSA-N 2 1 365.606 3.056 20 0 FGADMP CC1CCC(O)(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000370190158 499195610 /nfs/dbraw/zinc/19/56/10/499195610.db2.gz DRIMCQFLSRHKKI-UHFFFAOYSA-N 3 1 365.606 3.056 20 0 FGADMP CC1CCC(O)(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000370190158 499195612 /nfs/dbraw/zinc/19/56/12/499195612.db2.gz DRIMCQFLSRHKKI-UHFFFAOYSA-N 3 1 365.606 3.056 20 0 FGADMP Cn1cc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C(C)(C)C)n1 ZINC000370407079 499217523 /nfs/dbraw/zinc/21/75/23/499217523.db2.gz OXRMPDYMGQQXQM-HKUYNNGSSA-N 2 1 355.530 3.237 20 0 FGADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C(C)(C)C)n1 ZINC000370407079 499217525 /nfs/dbraw/zinc/21/75/25/499217525.db2.gz OXRMPDYMGQQXQM-HKUYNNGSSA-N 2 1 355.530 3.237 20 0 FGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1F ZINC000370623617 499236856 /nfs/dbraw/zinc/23/68/56/499236856.db2.gz AGKXGUCFPVMEGX-HHXXYDBFSA-N 2 1 350.478 3.203 20 0 FGADMP COc1ccccc1C[C@@H](C)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370661546 499241351 /nfs/dbraw/zinc/24/13/51/499241351.db2.gz SUDMPOJXZMWPDA-LJQANCHMSA-N 3 1 373.585 3.412 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026070 499256805 /nfs/dbraw/zinc/25/68/05/499256805.db2.gz ZVLZFUIPBGNNQK-IRNNPGBSSA-N 2 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026070 499256807 /nfs/dbraw/zinc/25/68/07/499256807.db2.gz ZVLZFUIPBGNNQK-IRNNPGBSSA-N 3 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000368026070 499256808 /nfs/dbraw/zinc/25/68/08/499256808.db2.gz ZVLZFUIPBGNNQK-IRNNPGBSSA-N 3 1 368.525 3.425 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000368139908 499268420 /nfs/dbraw/zinc/26/84/20/499268420.db2.gz WMMUVIZTZCMFTD-ZQOQTTQJSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000368139908 499268422 /nfs/dbraw/zinc/26/84/22/499268422.db2.gz WMMUVIZTZCMFTD-ZQOQTTQJSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000370908658 499269691 /nfs/dbraw/zinc/26/96/91/499269691.db2.gz GVOZCXFOMFVAOT-LJQANCHMSA-N 2 1 369.553 3.374 20 0 FGADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c(C)cn1 ZINC000368241464 499277365 /nfs/dbraw/zinc/27/73/65/499277365.db2.gz OATSNAYGRGRNCG-PMACEKPBSA-N 2 1 364.493 3.106 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@@H](C)C1 ZINC000371094073 499287914 /nfs/dbraw/zinc/28/79/14/499287914.db2.gz NRDKPNUTVPEPRN-MSOLQXFVSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301590 499307406 /nfs/dbraw/zinc/30/74/06/499307406.db2.gz GIUNLJFRXJMONS-DENIHFKCSA-N 2 1 367.537 3.176 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000371332401 499311436 /nfs/dbraw/zinc/31/14/36/499311436.db2.gz PBPSHBSUUBDOCN-HNNXBMFYSA-N 2 1 373.513 3.336 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000371332401 499311437 /nfs/dbraw/zinc/31/14/37/499311437.db2.gz PBPSHBSUUBDOCN-HNNXBMFYSA-N 2 1 373.513 3.336 20 0 FGADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000371349386 499313883 /nfs/dbraw/zinc/31/38/83/499313883.db2.gz IASWBAJQXVJIRL-DNVCBOLYSA-N 2 1 358.917 3.350 20 0 FGADMP CN(C(=O)CC1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368697783 499323095 /nfs/dbraw/zinc/32/30/95/499323095.db2.gz CCBFWLJALMHADC-CBQGHPETSA-N 2 1 369.553 3.372 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cc1 ZINC000371437053 499326538 /nfs/dbraw/zinc/32/65/38/499326538.db2.gz DIRWWKQQSWNJSR-UHFFFAOYSA-N 2 1 368.500 3.332 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471825 499331475 /nfs/dbraw/zinc/33/14/75/499331475.db2.gz WYMSMWDUXMOGED-NXHRZFHOSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471825 499331476 /nfs/dbraw/zinc/33/14/76/499331476.db2.gz WYMSMWDUXMOGED-NXHRZFHOSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000371515785 499337019 /nfs/dbraw/zinc/33/70/19/499337019.db2.gz AQPIIZALGWMOHN-GUDVDZBRSA-N 2 1 372.557 3.482 20 0 FGADMP COCCn1ncc2c1[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000368847587 499339103 /nfs/dbraw/zinc/33/91/03/499339103.db2.gz YLAFTQIGSPYDLN-OAQYLSRUSA-N 2 1 368.525 3.161 20 0 FGADMP COc1ccc(C2=CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000369121734 499367509 /nfs/dbraw/zinc/36/75/09/499367509.db2.gz JEZJXBNCFICBNX-UHFFFAOYSA-N 2 1 357.542 3.200 20 0 FGADMP CN1CC[C@@H](C[N@@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H]1c1cccnc1 ZINC000375273640 499501894 /nfs/dbraw/zinc/50/18/94/499501894.db2.gz BMTIVFYRTCOGAZ-UWJYYQICSA-N 2 1 370.472 3.174 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@]23CCOC3)c(C[NH+]2CCC[C@@]23CCOC3)c1 ZINC000375278190 499502382 /nfs/dbraw/zinc/50/23/82/499502382.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(C[NH+]2CCC[C@]23CCOC3)c1 ZINC000375278190 499502384 /nfs/dbraw/zinc/50/23/84/499502384.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(C[NH+]2CCC[C@]23CCOC3)c1 ZINC000375278190 499502385 /nfs/dbraw/zinc/50/23/85/499502385.db2.gz KGPFNJXVVVYOPC-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP Cc1ccc([C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)c(C)c1 ZINC000375590571 499535756 /nfs/dbraw/zinc/53/57/56/499535756.db2.gz INKVSDIQBUCVRO-JOCHJYFZSA-N 2 1 359.558 3.093 20 0 FGADMP Cc1ccc([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)c(C)c1 ZINC000375590571 499535757 /nfs/dbraw/zinc/53/57/57/499535757.db2.gz INKVSDIQBUCVRO-JOCHJYFZSA-N 2 1 359.558 3.093 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397959362 499565766 /nfs/dbraw/zinc/56/57/66/499565766.db2.gz DCWQVHBKICWDCE-NNWRFLSQSA-N 2 1 368.521 3.235 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057038 499566290 /nfs/dbraw/zinc/56/62/90/499566290.db2.gz ATYFRFMNDCNMAA-NQIIRXRSSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057038 499566291 /nfs/dbraw/zinc/56/62/91/499566291.db2.gz ATYFRFMNDCNMAA-NQIIRXRSSA-N 2 1 357.542 3.326 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000375907755 499567711 /nfs/dbraw/zinc/56/77/11/499567711.db2.gz UFZMQCVLSIGWRA-GOSISDBHSA-N 2 1 355.448 3.306 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000401789100 499569472 /nfs/dbraw/zinc/56/94/72/499569472.db2.gz VMNZDEHRBHDNQC-HNNXBMFYSA-N 2 1 350.260 3.229 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000375965742 499572203 /nfs/dbraw/zinc/57/22/03/499572203.db2.gz ZEEOSMZMRZHEAN-GOSISDBHSA-N 2 1 355.486 3.204 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 ZINC000376021679 499576711 /nfs/dbraw/zinc/57/67/11/499576711.db2.gz ORPIEMXFGCFPQF-UNMCSNQZSA-N 2 1 351.494 3.232 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)[C@@H]1c1cccnc1 ZINC000376021679 499576713 /nfs/dbraw/zinc/57/67/13/499576713.db2.gz ORPIEMXFGCFPQF-UNMCSNQZSA-N 2 1 351.494 3.232 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000408132484 499577639 /nfs/dbraw/zinc/57/76/39/499577639.db2.gz KAWBFBRNIUTTFE-RCCFBDPRSA-N 2 1 358.530 3.092 20 0 FGADMP CC[N@H+]1CCCN(C(=O)Nc2cnc(N3CCCC[C@H]3C)c(C)c2)CC1 ZINC000408160027 499578539 /nfs/dbraw/zinc/57/85/39/499578539.db2.gz SWGBMAZISDTBDG-QGZVFWFLSA-N 2 1 359.518 3.328 20 0 FGADMP CN(C)c1nc(-c2ccccc2)c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000376113602 499583891 /nfs/dbraw/zinc/58/38/91/499583891.db2.gz LEYKYWCXGFFFJC-HNNXBMFYSA-N 2 1 367.522 3.425 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000409631181 499610422 /nfs/dbraw/zinc/61/04/22/499610422.db2.gz JKCQDPPKNMSBNQ-IBGZPJMESA-N 2 1 359.901 3.321 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000376627858 499624314 /nfs/dbraw/zinc/62/43/14/499624314.db2.gz LXTHKGREQQBNDF-JIRNRHONSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573250825 506153116 /nfs/dbraw/zinc/15/31/16/506153116.db2.gz DUKISQSIYFRPDX-IXDOHACOSA-N 2 1 369.912 3.493 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573250825 506153121 /nfs/dbraw/zinc/15/31/21/506153121.db2.gz DUKISQSIYFRPDX-IXDOHACOSA-N 2 1 369.912 3.493 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000376854111 499640795 /nfs/dbraw/zinc/64/07/95/499640795.db2.gz GWXSYMFPDRKONK-QZTJIDSGSA-N 2 1 362.518 3.385 20 0 FGADMP CN(C)c1nc(-c2ccccc2)c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000376971711 499650798 /nfs/dbraw/zinc/65/07/98/499650798.db2.gz MUYFCWGYTUGYGG-HNNXBMFYSA-N 2 1 367.522 3.425 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000377082906 499660069 /nfs/dbraw/zinc/66/00/69/499660069.db2.gz LRKNMRABGCHBAL-SFHVURJKSA-N 2 1 374.529 3.207 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000377168044 499667626 /nfs/dbraw/zinc/66/76/26/499667626.db2.gz HXOQEXYVQSFQDI-ROUUACIJSA-N 2 1 374.529 3.156 20 0 FGADMP COc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2c1 ZINC000377246762 499673735 /nfs/dbraw/zinc/67/37/35/499673735.db2.gz WIYXZDRHLZFZMI-JPYJTQIMSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000573253849 506154762 /nfs/dbraw/zinc/15/47/62/506154762.db2.gz GQMXJIATOGIQEF-SRVURFJDSA-N 2 1 357.542 3.167 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411263153 499718724 /nfs/dbraw/zinc/71/87/24/499718724.db2.gz SISJEZHXVJIEKE-HSZRJFAPSA-N 2 1 371.569 3.217 20 0 FGADMP CCN1CC[N@@H+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ncc[nH]1 ZINC000377699676 499721917 /nfs/dbraw/zinc/72/19/17/499721917.db2.gz QMYXQRNMQMMUCS-UZLBHIALSA-N 2 1 364.497 3.344 20 0 FGADMP CCN1CC[N@H+]([C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1c1ncc[nH]1 ZINC000377699676 499721919 /nfs/dbraw/zinc/72/19/19/499721919.db2.gz QMYXQRNMQMMUCS-UZLBHIALSA-N 2 1 364.497 3.344 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(c2ccccn2)C1 ZINC000377709053 499723752 /nfs/dbraw/zinc/72/37/52/499723752.db2.gz UIKUGLZJDIHWFE-CBNMVNINSA-N 2 1 351.494 3.074 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@@H]2COCC[C@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315148 499725159 /nfs/dbraw/zinc/72/51/59/499725159.db2.gz HDTRVCCAJIVQNM-LMYCIYFBSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000411315148 499725160 /nfs/dbraw/zinc/72/51/60/499725160.db2.gz HDTRVCCAJIVQNM-LMYCIYFBSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000411315148 499725161 /nfs/dbraw/zinc/72/51/61/499725161.db2.gz HDTRVCCAJIVQNM-LMYCIYFBSA-N 2 1 364.574 3.405 20 0 FGADMP CC(CCN1CCC([NH2+]C(C)C)CC1)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000411369958 499730682 /nfs/dbraw/zinc/73/06/82/499730682.db2.gz ZJTAJNPPYYYPDC-UHFFFAOYSA-N 3 1 366.638 3.328 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000377817991 499738101 /nfs/dbraw/zinc/73/81/01/499738101.db2.gz DIBXQFLCCJGORA-BDTNDASRSA-N 2 1 363.505 3.123 20 0 FGADMP CCC[C@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377992061 499754151 /nfs/dbraw/zinc/75/41/51/499754151.db2.gz BWVSVFJVQCVTSI-SFHVURJKSA-N 2 1 351.579 3.467 20 0 FGADMP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C)c[nH]c2c1 ZINC000378163923 499761596 /nfs/dbraw/zinc/76/15/96/499761596.db2.gz HUAJMBIOEQOWED-HFSMHLIXSA-N 2 1 355.526 3.498 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1cc2n(n1)CCC2 ZINC000414160271 499764935 /nfs/dbraw/zinc/76/49/35/499764935.db2.gz ZLHZMAJLNOKIEH-MRXNPFEDSA-N 2 1 354.498 3.153 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411660154 499774300 /nfs/dbraw/zinc/77/43/00/499774300.db2.gz AGKDRDQOJQZWHP-FCHUYYIVSA-N 2 1 358.526 3.442 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411660158 499774317 /nfs/dbraw/zinc/77/43/17/499774317.db2.gz AGKDRDQOJQZWHP-VXKWHMMOSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@H]1OCC[C@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411670002 499775607 /nfs/dbraw/zinc/77/56/07/499775607.db2.gz KPSJQKFABHELNW-KNKQGSTJSA-N 2 1 358.526 3.441 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCCOC2)O1 ZINC000411674678 499776098 /nfs/dbraw/zinc/77/60/98/499776098.db2.gz IWKPIKIPJSBPBC-KNQAVFIVSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCCOC2)O1 ZINC000411674678 499776099 /nfs/dbraw/zinc/77/60/99/499776099.db2.gz IWKPIKIPJSBPBC-KNQAVFIVSA-N 2 1 358.526 3.442 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000414443652 499793055 /nfs/dbraw/zinc/79/30/55/499793055.db2.gz ODRMYFPYIRSFAT-GOSISDBHSA-N 2 1 356.489 3.484 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(CC)CCOCC1 ZINC000414534162 499804410 /nfs/dbraw/zinc/80/44/10/499804410.db2.gz WPJMXXRSWDCOEB-NHCUHLMSSA-N 2 1 360.542 3.320 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(CC)CCOCC1 ZINC000414534162 499804412 /nfs/dbraw/zinc/80/44/12/499804412.db2.gz WPJMXXRSWDCOEB-NHCUHLMSSA-N 2 1 360.542 3.320 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411997463 499811544 /nfs/dbraw/zinc/81/15/44/499811544.db2.gz IAMLXJHOLZDUSK-SFTDATJTSA-N 2 1 357.542 3.245 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656555 499817827 /nfs/dbraw/zinc/81/78/27/499817827.db2.gz NGPLBOXGLKAARX-QGZVFWFLSA-N 2 1 353.514 3.492 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656555 499817829 /nfs/dbraw/zinc/81/78/29/499817829.db2.gz NGPLBOXGLKAARX-QGZVFWFLSA-N 2 1 353.514 3.492 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)Cc2ccccc2F)C1 ZINC000414709019 499821823 /nfs/dbraw/zinc/82/18/23/499821823.db2.gz QUNAEMGOFFTROX-IBGZPJMESA-N 2 1 369.484 3.025 20 0 FGADMP COC(=O)[C@@H]1CSCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412084539 499822013 /nfs/dbraw/zinc/82/20/13/499822013.db2.gz TXNXFJRYRFSBEA-IBGZPJMESA-N 2 1 362.539 3.011 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412145879 499827943 /nfs/dbraw/zinc/82/79/43/499827943.db2.gz DJZOUGGKUHUQCR-FQEVSTJZSA-N 2 1 357.542 3.476 20 0 FGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414788509 499831451 /nfs/dbraw/zinc/83/14/51/499831451.db2.gz WTVPPHCUVHPUAR-UONOGXRCSA-N 2 1 353.304 3.279 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414811454 499833450 /nfs/dbraw/zinc/83/34/50/499833450.db2.gz WIOJCUAMNPAIJF-ZBEGNZNMSA-N 2 1 354.285 3.181 20 0 FGADMP Clc1cccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414883011 499841347 /nfs/dbraw/zinc/84/13/47/499841347.db2.gz SVONKGBOIIHWMK-UHFFFAOYSA-N 2 1 355.873 3.395 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC(C[NH3+])CC2)c1 ZINC000414897639 499842869 /nfs/dbraw/zinc/84/28/69/499842869.db2.gz FDQSJZRSUDXLNK-UHFFFAOYSA-N 2 1 355.486 3.257 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414907503 499843802 /nfs/dbraw/zinc/84/38/02/499843802.db2.gz QQRYYCIHALTRLB-QAPCUYQASA-N 2 1 355.486 3.174 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)cc2)no1 ZINC000573288358 506161631 /nfs/dbraw/zinc/16/16/31/506161631.db2.gz XVRSMDSAJRELNG-JWTNVVGKSA-N 2 1 356.470 3.014 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414951605 499847995 /nfs/dbraw/zinc/84/79/95/499847995.db2.gz HRFHBHDPVHGDIY-SJCJKPOMSA-N 2 1 363.303 3.031 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415052130 499858606 /nfs/dbraw/zinc/85/86/06/499858606.db2.gz HSUPUPYNOORSAU-RDTXWAMCSA-N 2 1 366.431 3.367 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415052130 499858607 /nfs/dbraw/zinc/85/86/07/499858607.db2.gz HSUPUPYNOORSAU-RDTXWAMCSA-N 2 1 366.431 3.367 20 0 FGADMP c1csc(-c2nc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cs2)c1 ZINC000415051993 499858655 /nfs/dbraw/zinc/85/86/55/499858655.db2.gz KKNGHBOBZYUICT-UHFFFAOYSA-N 2 1 362.568 3.178 20 0 FGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415055313 499858771 /nfs/dbraw/zinc/85/87/71/499858771.db2.gz OHDZCKFRPKOKMB-MNNVXMFVSA-N 2 1 369.475 3.442 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@]1(C)C[NH3+] ZINC000415059050 499859383 /nfs/dbraw/zinc/85/93/83/499859383.db2.gz WUFRQAWSWAMSPK-CXAGYDPISA-N 2 1 352.404 3.308 20 0 FGADMP CCOc1cc(C[NH2+]CCC[NH2+]C2CC2)cc(Br)c1OC ZINC000415065654 499860309 /nfs/dbraw/zinc/86/03/09/499860309.db2.gz HBUAAYFBABCMSB-UHFFFAOYSA-N 2 1 357.292 3.088 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000570410702 506162520 /nfs/dbraw/zinc/16/25/20/506162520.db2.gz XZQIALDENRBLCP-UHFFFAOYSA-N 2 1 361.555 3.214 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3Br)CC2)C1 ZINC000415126096 499867112 /nfs/dbraw/zinc/86/71/12/499867112.db2.gz PDLXMYLXNXSFBB-RDJZCZTQSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H]1C[NH3+] ZINC000415133617 499868526 /nfs/dbraw/zinc/86/85/26/499868526.db2.gz VGMBAQPJKAMXJP-RHSMWYFYSA-N 2 1 366.431 3.367 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@H]1C[NH3+] ZINC000415133617 499868527 /nfs/dbraw/zinc/86/85/27/499868527.db2.gz VGMBAQPJKAMXJP-RHSMWYFYSA-N 2 1 366.431 3.367 20 0 FGADMP [NH3+]C1(CNCc2cc(F)c(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415136290 499869170 /nfs/dbraw/zinc/86/91/70/499869170.db2.gz RJTWJLOHWDKSSE-UHFFFAOYSA-N 2 1 363.427 3.187 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415911157 499927366 /nfs/dbraw/zinc/92/73/66/499927366.db2.gz XHZWZJARYCUMKQ-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000415936352 499930598 /nfs/dbraw/zinc/93/05/98/499930598.db2.gz UFGQVVCXTWBJCN-UHFFFAOYSA-N 2 1 366.509 3.188 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000415948844 499932006 /nfs/dbraw/zinc/93/20/06/499932006.db2.gz YUDIJTVWZGONAV-UHFFFAOYSA-N 2 1 352.482 3.146 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)CC[C@H]21 ZINC000415960582 499933523 /nfs/dbraw/zinc/93/35/23/499933523.db2.gz QIIHHJOFAVGVIL-CZUORRHYSA-N 2 1 370.419 3.112 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000415960249 499933545 /nfs/dbraw/zinc/93/35/45/499933545.db2.gz UTPAIGSFENTZAI-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP C[C@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415961627 499934137 /nfs/dbraw/zinc/93/41/37/499934137.db2.gz RURQPQGCROSXRL-LPHOPBHVSA-N 2 1 352.482 3.177 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000415968084 499935120 /nfs/dbraw/zinc/93/51/20/499935120.db2.gz CHTRYGPMRABAEV-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415971255 499935745 /nfs/dbraw/zinc/93/57/45/499935745.db2.gz GFTHUBPQLCQQIX-JXFKEZNVSA-N 2 1 352.482 3.320 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415975247 499936307 /nfs/dbraw/zinc/93/63/07/499936307.db2.gz SJZUNTBRQHFRJO-LBPRGKRZSA-N 2 1 358.408 3.018 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417029643 499952099 /nfs/dbraw/zinc/95/20/99/499952099.db2.gz CJWNHZPWFATPFM-BGYRXZFFSA-N 2 1 374.573 3.305 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982866 499972550 /nfs/dbraw/zinc/97/25/50/499972550.db2.gz OPYVYBOUEFQKCA-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982866 499972555 /nfs/dbraw/zinc/97/25/55/499972555.db2.gz OPYVYBOUEFQKCA-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982866 499972558 /nfs/dbraw/zinc/97/25/58/499972558.db2.gz OPYVYBOUEFQKCA-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098866 500002942 /nfs/dbraw/zinc/00/29/42/500002942.db2.gz QDRVSOUIEKUNSO-SLYNCCJLSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000429098866 500002945 /nfs/dbraw/zinc/00/29/45/500002945.db2.gz QDRVSOUIEKUNSO-SLYNCCJLSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000429098866 500002949 /nfs/dbraw/zinc/00/29/49/500002949.db2.gz QDRVSOUIEKUNSO-SLYNCCJLSA-N 2 1 370.541 3.138 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417225809 500010587 /nfs/dbraw/zinc/01/05/87/500010587.db2.gz STSSIPSLKVEDEP-IBGZPJMESA-N 2 1 358.530 3.002 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537153 500100232 /nfs/dbraw/zinc/10/02/32/500100232.db2.gz CPKXFPHIKWNIOF-FXAWDEMLSA-N 2 1 360.546 3.229 20 0 FGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000414066182 500143619 /nfs/dbraw/zinc/14/36/19/500143619.db2.gz HTIIQROURVQDST-QLFBSQMISA-N 2 1 353.532 3.338 20 0 FGADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000414066182 500143623 /nfs/dbraw/zinc/14/36/23/500143623.db2.gz HTIIQROURVQDST-QLFBSQMISA-N 2 1 353.532 3.338 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874316 500144668 /nfs/dbraw/zinc/14/46/68/500144668.db2.gz PIERSMKDQORVGZ-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785221 500144776 /nfs/dbraw/zinc/14/47/76/500144776.db2.gz LLCYZXOAQFBAPO-CUWPLCDZSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785221 500144782 /nfs/dbraw/zinc/14/47/82/500144782.db2.gz LLCYZXOAQFBAPO-CUWPLCDZSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785221 500144786 /nfs/dbraw/zinc/14/47/86/500144786.db2.gz LLCYZXOAQFBAPO-CUWPLCDZSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)cc2OC)CC1 ZINC000421818347 500158619 /nfs/dbraw/zinc/15/86/19/500158619.db2.gz AGJGMYOGHLZYCJ-INIZCTEOSA-N 2 1 353.938 3.417 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)cc2)C1 ZINC000416966132 500168127 /nfs/dbraw/zinc/16/81/27/500168127.db2.gz FADVJWZJWPCYRJ-DUXKGJEZSA-N 2 1 372.557 3.235 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000416966662 500168658 /nfs/dbraw/zinc/16/86/58/500168658.db2.gz FVCQXCROPHUIST-MOPGFXCFSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000416969294 500169575 /nfs/dbraw/zinc/16/95/75/500169575.db2.gz BISSMSGZGIHBDI-PBPGXSGUSA-N 2 1 358.530 3.130 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416972370 500171758 /nfs/dbraw/zinc/17/17/58/500171758.db2.gz RRVFISJZHDCZKL-RTBURBONSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000416975934 500172895 /nfs/dbraw/zinc/17/28/95/500172895.db2.gz NMNOHZHDSVKNOG-UWJYYQICSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000416977873 500173314 /nfs/dbraw/zinc/17/33/14/500173314.db2.gz QEHWFYBGJRHRRH-GOSISDBHSA-N 2 1 370.541 3.170 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)COC3CCC([NH3+])CC3)cc2)C1 ZINC000582299019 506180551 /nfs/dbraw/zinc/18/05/51/506180551.db2.gz PDDMLRLDIMMVGM-PPDQVPDSSA-N 2 1 359.514 3.144 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425674570 500178003 /nfs/dbraw/zinc/17/80/03/500178003.db2.gz PFDUWHAMKNPQOH-MRXNPFEDSA-N 2 1 367.497 3.444 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3CCC([NH3+])CC3)cc2)C1 ZINC000416996707 500179423 /nfs/dbraw/zinc/17/94/23/500179423.db2.gz UZHPAYFMEKCFAU-AGXSTUJCSA-N 2 1 372.557 3.234 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417835738 500181343 /nfs/dbraw/zinc/18/13/43/500181343.db2.gz LDHMYGSWROQHAY-JRGCBEDISA-N 2 1 372.557 3.246 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000417852953 500184307 /nfs/dbraw/zinc/18/43/07/500184307.db2.gz HSGWBLAMMUUCRP-YXJHDRRASA-N 2 1 355.486 3.058 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000417859538 500185492 /nfs/dbraw/zinc/18/54/92/500185492.db2.gz SBLGMVDUCKLECO-MPGHIAIKSA-N 2 1 355.486 3.011 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417920680 500198256 /nfs/dbraw/zinc/19/82/56/500198256.db2.gz QRAXMYNEWGRAIW-PMACEKPBSA-N 2 1 360.546 3.276 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417935040 500200583 /nfs/dbraw/zinc/20/05/83/500200583.db2.gz ZCSRNPKFAZLJKB-HMXCVIKNSA-N 2 1 372.557 3.058 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417977416 500207639 /nfs/dbraw/zinc/20/76/39/500207639.db2.gz BUGMPEKMEVRCCD-JQFCIGGWSA-N 2 1 370.900 3.039 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417977416 500207641 /nfs/dbraw/zinc/20/76/41/500207641.db2.gz BUGMPEKMEVRCCD-JQFCIGGWSA-N 2 1 370.900 3.039 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000425925303 500212495 /nfs/dbraw/zinc/21/24/95/500212495.db2.gz QQLFNIXCBJMUAW-NRFANRHFSA-N 2 1 355.526 3.162 20 0 FGADMP CN(CCOc1ccccc1Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425938581 500214238 /nfs/dbraw/zinc/21/42/38/500214238.db2.gz AJAJFMZVCMRWPV-OAQYLSRUSA-N 2 1 374.912 3.288 20 0 FGADMP C[N@H+](CCOc1ccccc1Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425938581 500214241 /nfs/dbraw/zinc/21/42/41/500214241.db2.gz AJAJFMZVCMRWPV-OAQYLSRUSA-N 2 1 374.912 3.288 20 0 FGADMP C[N@@H+](CCOc1ccccc1Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425938581 500214244 /nfs/dbraw/zinc/21/42/44/500214244.db2.gz AJAJFMZVCMRWPV-OAQYLSRUSA-N 2 1 374.912 3.288 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1Cl ZINC000422130885 500217688 /nfs/dbraw/zinc/21/76/88/500217688.db2.gz BKSISAJJRAQHBH-JTTJXQCZSA-N 2 1 366.937 3.115 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418151218 500238016 /nfs/dbraw/zinc/23/80/16/500238016.db2.gz FGKWSCOZKGFSFR-VQTJNVASSA-N 2 1 372.557 3.058 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426135827 500240062 /nfs/dbraw/zinc/24/00/62/500240062.db2.gz IUVZNWULCNVKJI-NRFANRHFSA-N 2 1 355.526 3.306 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000422247631 500240811 /nfs/dbraw/zinc/24/08/11/500240811.db2.gz XJLPULCYABDEMQ-UVHRUJRTSA-N 2 1 364.578 3.155 20 0 FGADMP CCN(C(=O)NC1CCC([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422246745 500240916 /nfs/dbraw/zinc/24/09/16/500240916.db2.gz UFTYMWVGZIKBRN-XVAXZDLZSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418298931 500260122 /nfs/dbraw/zinc/26/01/22/500260122.db2.gz RBAFAVMKPVIZPG-UYAOXDASSA-N 2 1 372.557 3.343 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430651668 500266073 /nfs/dbraw/zinc/26/60/73/500266073.db2.gz WGAOKONTLQSAAK-DNVCBOLYSA-N 2 1 369.513 3.019 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430651668 500266076 /nfs/dbraw/zinc/26/60/76/500266076.db2.gz WGAOKONTLQSAAK-DNVCBOLYSA-N 2 1 369.513 3.019 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418350107 500266505 /nfs/dbraw/zinc/26/65/05/500266505.db2.gz QPVDRDFTONZCDT-DYXWJJEUSA-N 2 1 372.557 3.243 20 0 FGADMP CCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418377340 500270229 /nfs/dbraw/zinc/27/02/29/500270229.db2.gz BGWCNPDOYVPSCI-WQUXRXDGSA-N 2 1 358.530 3.123 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418461661 500279902 /nfs/dbraw/zinc/27/99/02/500279902.db2.gz JFBPMAYXMADVBS-HKUYNNGSSA-N 2 1 352.567 3.190 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771238 500296148 /nfs/dbraw/zinc/29/61/48/500296148.db2.gz XFUGYHHDQVVLAZ-LZNRXBQRSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771238 500296151 /nfs/dbraw/zinc/29/61/51/500296151.db2.gz XFUGYHHDQVVLAZ-LZNRXBQRSA-N 2 1 357.542 3.342 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422799676 500299692 /nfs/dbraw/zinc/29/96/92/500299692.db2.gz XZMBUBZDLFOEPL-YRNRMSPPSA-N 2 1 360.523 3.203 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@H]3CCCCN3)CC2)c1 ZINC000422812479 500301307 /nfs/dbraw/zinc/30/13/07/500301307.db2.gz QKYINDBXCGCPME-RBBKRZOGSA-N 2 1 358.574 3.017 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422852788 500305810 /nfs/dbraw/zinc/30/58/10/500305810.db2.gz BHVSGWWIFCXLHI-ZIFCJYIRSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678431 500306633 /nfs/dbraw/zinc/30/66/33/500306633.db2.gz CKCAPESTJKMLCM-MUGJNUQGSA-N 2 1 364.578 3.048 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000430936182 500310045 /nfs/dbraw/zinc/31/00/45/500310045.db2.gz XVENOPOBKVXFMH-JTQLQIEISA-N 2 1 363.811 3.357 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886729 500310981 /nfs/dbraw/zinc/31/09/81/500310981.db2.gz XIQHKGIYQMESOL-RLLPEYFOSA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886729 500310983 /nfs/dbraw/zinc/31/09/83/500310983.db2.gz XIQHKGIYQMESOL-RLLPEYFOSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422886729 500310984 /nfs/dbraw/zinc/31/09/84/500310984.db2.gz XIQHKGIYQMESOL-RLLPEYFOSA-N 2 1 371.569 3.165 20 0 FGADMP CN(C)[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892875 500311404 /nfs/dbraw/zinc/31/14/04/500311404.db2.gz NZWFDQWLUXIRRP-TUNNFDKTSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418716478 500311986 /nfs/dbraw/zinc/31/19/86/500311986.db2.gz ZCRWSJUWVTZYFY-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903403 500313895 /nfs/dbraw/zinc/31/38/95/500313895.db2.gz OMRMMGSABLHUPM-HGSOSGBHSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903403 500313896 /nfs/dbraw/zinc/31/38/96/500313896.db2.gz OMRMMGSABLHUPM-HGSOSGBHSA-N 3 1 371.569 3.308 20 0 FGADMP N[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946065 500321858 /nfs/dbraw/zinc/32/18/58/500321858.db2.gz OFJVNIKCMDYTBC-XZOQPEGZSA-N 2 1 364.537 3.323 20 0 FGADMP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422997112 500329038 /nfs/dbraw/zinc/32/90/38/500329038.db2.gz NMFBDCRYGDUACZ-BWAGFHJFSA-N 2 1 359.558 3.446 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001397 500329632 /nfs/dbraw/zinc/32/96/32/500329632.db2.gz WWWHDVWFTUTNMY-CBQOVEMMSA-N 2 1 357.542 3.200 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001397 500329636 /nfs/dbraw/zinc/32/96/36/500329636.db2.gz WWWHDVWFTUTNMY-CBQOVEMMSA-N 3 1 357.542 3.200 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001397 500329639 /nfs/dbraw/zinc/32/96/39/500329639.db2.gz WWWHDVWFTUTNMY-CBQOVEMMSA-N 3 1 357.542 3.200 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021905 500332589 /nfs/dbraw/zinc/33/25/89/500332589.db2.gz GNQBASZQAUYNSU-VXGBXAGGSA-N 2 1 367.209 3.316 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431101210 500336219 /nfs/dbraw/zinc/33/62/19/500336219.db2.gz YFYYRKGDLOFDAD-JOCHJYFZSA-N 2 1 357.542 3.498 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431101210 500336221 /nfs/dbraw/zinc/33/62/21/500336221.db2.gz YFYYRKGDLOFDAD-JOCHJYFZSA-N 2 1 357.542 3.498 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423060405 500336738 /nfs/dbraw/zinc/33/67/38/500336738.db2.gz IBHHNNMQIJHAAE-AOMKIAJQSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423060405 500336740 /nfs/dbraw/zinc/33/67/40/500336740.db2.gz IBHHNNMQIJHAAE-AOMKIAJQSA-N 2 1 352.526 3.410 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099293 500341742 /nfs/dbraw/zinc/34/17/42/500341742.db2.gz FIHLAUOHAQKFMI-AQNXPRMDSA-N 2 1 365.949 3.080 20 0 FGADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]1 ZINC000423153509 500349345 /nfs/dbraw/zinc/34/93/45/500349345.db2.gz HLZZKODSCNXOEP-WBAXXEDZSA-N 2 1 369.347 3.029 20 0 FGADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423176841 500351837 /nfs/dbraw/zinc/35/18/37/500351837.db2.gz ICFHFKLXTOZDSX-MRXNPFEDSA-N 2 1 367.559 3.029 20 0 FGADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182898 500352435 /nfs/dbraw/zinc/35/24/35/500352435.db2.gz LYRYSAUJCVATPJ-KSSFIOAISA-N 2 1 366.347 3.001 20 0 FGADMP Fc1ccc(N2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)c(F)c1 ZINC000423183709 500352868 /nfs/dbraw/zinc/35/28/68/500352868.db2.gz GRGWWSYJEYRZEF-UHFFFAOYSA-N 2 1 360.452 3.098 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423187811 500353067 /nfs/dbraw/zinc/35/30/67/500353067.db2.gz MVHZZBNKPOQBAU-NHCUHLMSSA-N 2 1 367.493 3.333 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000427152500 500360072 /nfs/dbraw/zinc/36/00/72/500360072.db2.gz KEMIVMLDPKVOPG-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000423316165 500363191 /nfs/dbraw/zinc/36/31/91/500363191.db2.gz YBJWQNZDYCQMRK-JKOLBHCTSA-N 3 1 353.554 3.393 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000423316168 500363369 /nfs/dbraw/zinc/36/33/69/500363369.db2.gz YBJWQNZDYCQMRK-XMBDKHIGSA-N 3 1 353.554 3.393 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423316199 500363553 /nfs/dbraw/zinc/36/35/53/500363553.db2.gz ASAGLRISZCLTKD-LAUBAEHRSA-N 2 1 351.494 3.443 20 0 FGADMP C[C@@H](Nc1nc2ccc(F)cc2n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000431416053 500374355 /nfs/dbraw/zinc/37/43/55/500374355.db2.gz ULSIDNPFRVYXNK-WBVHZDCISA-N 2 1 352.457 3.457 20 0 FGADMP O=C(C[C@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000427280797 500377408 /nfs/dbraw/zinc/37/74/08/500377408.db2.gz LVDYYSNAEOROLM-CYBMUJFWSA-N 2 1 370.324 3.074 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000423473746 500377650 /nfs/dbraw/zinc/37/76/50/500377650.db2.gz NXXOSGBPDPQWJV-KMKNWIINSA-N 3 1 359.533 3.419 20 0 FGADMP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423485284 500378131 /nfs/dbraw/zinc/37/81/31/500378131.db2.gz AYSWLYJZSADYBW-XHDPSFHLSA-N 2 1 359.695 3.058 20 0 FGADMP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491632 500378646 /nfs/dbraw/zinc/37/86/46/500378646.db2.gz KBBGHYOUPGTIDC-IAQYHMDHSA-N 2 1 359.695 3.058 20 0 FGADMP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCC2 ZINC000423499440 500379109 /nfs/dbraw/zinc/37/91/09/500379109.db2.gz CNCRBRGAXXRLPW-CZUORRHYSA-N 2 1 361.486 3.295 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(F)cc4)s3)C2)nn1 ZINC000570542712 506192057 /nfs/dbraw/zinc/19/20/57/506192057.db2.gz XDKBAJCZOZDOLX-KRWDZBQOSA-N 2 1 371.485 3.442 20 0 FGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000423509037 500380297 /nfs/dbraw/zinc/38/02/97/500380297.db2.gz LEMUHVUBDZBRSD-QQFBHYJXSA-N 2 1 366.347 3.316 20 0 FGADMP COc1cccc([C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558251 500391871 /nfs/dbraw/zinc/39/18/71/500391871.db2.gz RKAXBOZSVONRCM-RTWAWAEBSA-N 2 1 373.541 3.211 20 0 FGADMP COc1cccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000431655079 500403513 /nfs/dbraw/zinc/40/35/13/500403513.db2.gz WGZZQMFTDMQPJQ-TZIWHRDSSA-N 2 1 373.541 3.213 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000420296296 500435567 /nfs/dbraw/zinc/43/55/67/500435567.db2.gz DECPOCJLOPFJGX-SFTDATJTSA-N 2 1 362.473 3.236 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCc2cc(-c3ccccc3)oc2C1 ZINC000420296296 500435570 /nfs/dbraw/zinc/43/55/70/500435570.db2.gz DECPOCJLOPFJGX-SFTDATJTSA-N 2 1 362.473 3.236 20 0 FGADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000420295833 500435946 /nfs/dbraw/zinc/43/59/46/500435946.db2.gz AXPQIQOHUPDNRF-NSHDSACASA-N 2 1 363.811 3.229 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000420296151 500436210 /nfs/dbraw/zinc/43/62/10/500436210.db2.gz PZAVQADMOVPJMK-BZNIZROVSA-N 2 1 356.297 3.158 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1)N1CCCCC1 ZINC000420324179 500441717 /nfs/dbraw/zinc/44/17/17/500441717.db2.gz GWVLTTJEYZNXKJ-SFTDATJTSA-N 2 1 355.526 3.134 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329441 500442869 /nfs/dbraw/zinc/44/28/69/500442869.db2.gz GURGDBIEDCHOBT-UPJWGTAASA-N 2 1 356.297 3.252 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCCN1c1ccccc1Cl ZINC000420337045 500444158 /nfs/dbraw/zinc/44/41/58/500444158.db2.gz NAZFIPQIACEVID-PKOBYXMFSA-N 2 1 361.917 3.299 20 0 FGADMP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339933 500444826 /nfs/dbraw/zinc/44/48/26/500444826.db2.gz ZKDVAICXSJEXIW-DJIMGWMZSA-N 2 1 358.461 3.182 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000420353192 500445909 /nfs/dbraw/zinc/44/59/09/500445909.db2.gz BJBWMCJIOHMYIN-YLJYHZDGSA-N 2 1 371.500 3.255 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420376776 500449931 /nfs/dbraw/zinc/44/99/31/500449931.db2.gz RJRBOERTFUVHQH-FXAWDEMLSA-N 2 1 372.488 3.001 20 0 FGADMP Cc1nn(-c2ccccc2F)c(C)c1[C@H]1COCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420376776 500449935 /nfs/dbraw/zinc/44/99/35/500449935.db2.gz RJRBOERTFUVHQH-FXAWDEMLSA-N 2 1 372.488 3.001 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376839 500450842 /nfs/dbraw/zinc/45/08/42/500450842.db2.gz APHWOYRDDVZTJX-BULFRSBZSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376839 500450843 /nfs/dbraw/zinc/45/08/43/500450843.db2.gz APHWOYRDDVZTJX-BULFRSBZSA-N 2 1 365.521 3.481 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000431983959 500451740 /nfs/dbraw/zinc/45/17/40/500451740.db2.gz WDZLTFPVJIMBKZ-SLFFLAALSA-N 2 1 366.594 3.307 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420384428 500452454 /nfs/dbraw/zinc/45/24/54/500452454.db2.gz DSYYMRRZEFLTLR-WMLDXEAASA-N 2 1 353.304 3.292 20 0 FGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420393728 500454860 /nfs/dbraw/zinc/45/48/60/500454860.db2.gz QUPCAYJRLSBNNW-OXQOHEQNSA-N 2 1 353.466 3.050 20 0 FGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420393728 500454864 /nfs/dbraw/zinc/45/48/64/500454864.db2.gz QUPCAYJRLSBNNW-OXQOHEQNSA-N 2 1 353.466 3.050 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421299 500458204 /nfs/dbraw/zinc/45/82/04/500458204.db2.gz YQJVCVWLQOALRJ-DFEOGRTESA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421299 500458207 /nfs/dbraw/zinc/45/82/07/500458207.db2.gz YQJVCVWLQOALRJ-DFEOGRTESA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000424214183 500470110 /nfs/dbraw/zinc/47/01/10/500470110.db2.gz BTVDUSLYEZSZPC-GUGJDKNPSA-N 2 1 363.505 3.055 20 0 FGADMP CCc1nc(C)c(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000428205024 500481095 /nfs/dbraw/zinc/48/10/95/500481095.db2.gz HBLQGFZIPWDKFT-UHFFFAOYSA-N 3 1 362.562 3.174 20 0 FGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428206588 500481120 /nfs/dbraw/zinc/48/11/20/500481120.db2.gz LBXJCAMWVHYTNV-DOTOQJQBSA-N 2 1 364.559 3.434 20 0 FGADMP CC[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287627 500481939 /nfs/dbraw/zinc/48/19/39/500481939.db2.gz JERLXMPLQXHAQR-YJBOKZPZSA-N 2 1 363.933 3.371 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295862 500482543 /nfs/dbraw/zinc/48/25/43/500482543.db2.gz RLJSHSCQSBWAFG-QZTJIDSGSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424297442 500483449 /nfs/dbraw/zinc/48/34/49/500483449.db2.gz SRRDUXQSDAJOGB-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424297442 500483453 /nfs/dbraw/zinc/48/34/53/500483453.db2.gz SRRDUXQSDAJOGB-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP CC(C)O[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428283947 500491540 /nfs/dbraw/zinc/49/15/40/500491540.db2.gz CJIMOGOEZVZOAU-BAGYTPMASA-N 2 1 359.558 3.111 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432411602 500512787 /nfs/dbraw/zinc/51/27/87/500512787.db2.gz ZNHSAIMBAMJDPE-JKSUJKDBSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432411602 500512789 /nfs/dbraw/zinc/51/27/89/500512789.db2.gz ZNHSAIMBAMJDPE-JKSUJKDBSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417940 500514118 /nfs/dbraw/zinc/51/41/18/500514118.db2.gz PILWFOUPBKQGQS-CVEARBPZSA-N 2 1 359.514 3.068 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417940 500514122 /nfs/dbraw/zinc/51/41/22/500514122.db2.gz PILWFOUPBKQGQS-CVEARBPZSA-N 2 1 359.514 3.068 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420893463 500524057 /nfs/dbraw/zinc/52/40/57/500524057.db2.gz FBYZMWVRNLZWAP-KMFTYDHNSA-N 2 1 372.557 3.165 20 0 FGADMP c1cc(C[NH+]2CCC(OC3CCCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000420899593 500525566 /nfs/dbraw/zinc/52/55/66/500525566.db2.gz GCPYMGGBVWDBEV-UHFFFAOYSA-N 2 1 358.526 3.442 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625849 506200926 /nfs/dbraw/zinc/20/09/26/506200926.db2.gz TWYNIDJCDPSWQM-PZJWPPBQSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625849 506200929 /nfs/dbraw/zinc/20/09/29/506200929.db2.gz TWYNIDJCDPSWQM-PZJWPPBQSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625849 506200931 /nfs/dbraw/zinc/20/09/31/506200931.db2.gz TWYNIDJCDPSWQM-PZJWPPBQSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCCO5)C[C@H]3C2)cc1 ZINC000576625849 506200933 /nfs/dbraw/zinc/20/09/33/506200933.db2.gz TWYNIDJCDPSWQM-PZJWPPBQSA-N 2 1 364.489 3.412 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000432521631 500526732 /nfs/dbraw/zinc/52/67/32/500526732.db2.gz ZDAOWBWKWZNQHK-UTKZUKDTSA-N 2 1 351.494 3.046 20 0 FGADMP c1cncc(CC2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420953096 500539530 /nfs/dbraw/zinc/53/95/30/500539530.db2.gz URBFPBMSIPVUPV-UHFFFAOYSA-N 2 1 365.521 3.369 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCC[C@@H](C)C2)CC1 ZINC000428697523 500545071 /nfs/dbraw/zinc/54/50/71/500545071.db2.gz DHAFCXONQIBIFN-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000428697523 500545075 /nfs/dbraw/zinc/54/50/75/500545075.db2.gz DHAFCXONQIBIFN-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000428697523 500545080 /nfs/dbraw/zinc/54/50/80/500545080.db2.gz DHAFCXONQIBIFN-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(C)C)C2)CC1 ZINC000432790285 500563912 /nfs/dbraw/zinc/56/39/12/500563912.db2.gz BSGXOQINXNHJDA-FQEVSTJZSA-N 2 1 371.569 3.444 20 0 FGADMP Cc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c(Cl)c1 ZINC000447303802 500587862 /nfs/dbraw/zinc/58/78/62/500587862.db2.gz TWQXWVVDEZWWLX-UHFFFAOYSA-N 2 1 363.933 3.025 20 0 FGADMP CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433049489 500613272 /nfs/dbraw/zinc/61/32/72/500613272.db2.gz VFWDDZZEIRIVPT-LJQANCHMSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH2+]1 ZINC000447513860 500615279 /nfs/dbraw/zinc/61/52/79/500615279.db2.gz ZLRISHPPEOAFOT-UTKZUKDTSA-N 2 1 351.494 3.189 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759636 500621183 /nfs/dbraw/zinc/62/11/83/500621183.db2.gz LKBSKGQTIWOIBF-RYUDHWBXSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000442759636 500621186 /nfs/dbraw/zinc/62/11/86/500621186.db2.gz LKBSKGQTIWOIBF-RYUDHWBXSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783602 500625174 /nfs/dbraw/zinc/62/51/74/500625174.db2.gz QFOSKTVCFZUPQG-GQIGUUNPSA-N 2 1 357.523 3.013 20 0 FGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1OC ZINC000442875651 500637812 /nfs/dbraw/zinc/63/78/12/500637812.db2.gz OLESIDUUPFHJPB-KRWDZBQOSA-N 2 1 353.938 3.415 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccccc1 ZINC000447821337 500670330 /nfs/dbraw/zinc/67/03/30/500670330.db2.gz KJMUQBXUIAPCLP-IBGZPJMESA-N 2 1 365.521 3.358 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058651 500670930 /nfs/dbraw/zinc/67/09/30/500670930.db2.gz KWOQZIGIDVLUKD-GHTZIAJQSA-N 2 1 373.541 3.200 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437634773 500672434 /nfs/dbraw/zinc/67/24/34/500672434.db2.gz KZIKBOCGPMPHAH-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443073190 500675198 /nfs/dbraw/zinc/67/51/98/500675198.db2.gz OXZGKDOKTUXEJP-HOTGVXAUSA-N 2 1 364.559 3.258 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437662499 500678455 /nfs/dbraw/zinc/67/84/55/500678455.db2.gz NBZKKTGQBBNHHF-LJQANCHMSA-N 2 1 364.578 3.346 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447932743 500692014 /nfs/dbraw/zinc/69/20/14/500692014.db2.gz ZYPUTVSWBRTXSQ-GHTZIAJQSA-N 2 1 357.498 3.014 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@]1(O)CCO[C@H]1C ZINC000447932743 500692016 /nfs/dbraw/zinc/69/20/16/500692016.db2.gz ZYPUTVSWBRTXSQ-GHTZIAJQSA-N 2 1 357.498 3.014 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]CC[C@H]3CCOC3)cc2)C[C@H]1C ZINC000437776314 500693592 /nfs/dbraw/zinc/69/35/92/500693592.db2.gz PDEXMSJZURTRKU-ZVDOUQERSA-N 2 1 360.542 3.212 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776810 500693740 /nfs/dbraw/zinc/69/37/40/500693740.db2.gz PXYYIDPNUWQEAU-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437776810 500693742 /nfs/dbraw/zinc/69/37/42/500693742.db2.gz PXYYIDPNUWQEAU-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437776810 500693745 /nfs/dbraw/zinc/69/37/45/500693745.db2.gz PXYYIDPNUWQEAU-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437809206 500699923 /nfs/dbraw/zinc/69/99/23/500699923.db2.gz JQGKJKUOWUIGQA-FQEVSTJZSA-N 2 1 364.578 3.205 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000443296606 500705578 /nfs/dbraw/zinc/70/55/78/500705578.db2.gz PKLURDRXNMFCJV-MQSCRBSSSA-N 2 1 369.553 3.089 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000443296606 500705584 /nfs/dbraw/zinc/70/55/84/500705584.db2.gz PKLURDRXNMFCJV-MQSCRBSSSA-N 2 1 369.553 3.089 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000443296606 500705589 /nfs/dbraw/zinc/70/55/89/500705589.db2.gz PKLURDRXNMFCJV-MQSCRBSSSA-N 2 1 369.553 3.089 20 0 FGADMP O[C@]1(C[NH2+]CCCCOc2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000438191561 500752718 /nfs/dbraw/zinc/75/27/18/500752718.db2.gz OYYBHTIYOWNTBJ-QFIPXVFZSA-N 2 1 354.494 3.072 20 0 FGADMP O[C@]1(C[NH2+]CCCCOc2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000438191561 500752721 /nfs/dbraw/zinc/75/27/21/500752721.db2.gz OYYBHTIYOWNTBJ-QFIPXVFZSA-N 2 1 354.494 3.072 20 0 FGADMP CC[N@H+]1CCC[C@@H](CN(C)Cc2sccc2OC)[C@@H]1c1cnn(C)c1 ZINC000434020390 500782782 /nfs/dbraw/zinc/78/27/82/500782782.db2.gz GCMAVVLLOXEDNX-HNAYVOBHSA-N 2 1 362.543 3.395 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC1(c2ccccc2)CC1)c1ccccc1 ZINC000444678705 500877925 /nfs/dbraw/zinc/87/79/25/500877925.db2.gz YCYKHYPROGZZCL-OAQYLSRUSA-N 2 1 365.521 3.069 20 0 FGADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(-c3cccs3)cc2)CC1 ZINC000444687906 500879972 /nfs/dbraw/zinc/87/99/72/500879972.db2.gz WXYYHKZQXYXRCW-UHFFFAOYSA-N 2 1 372.534 3.074 20 0 FGADMP C[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037454 500907465 /nfs/dbraw/zinc/90/74/65/500907465.db2.gz NHONXSUFWXJKFH-JXXFODFXSA-N 2 1 351.485 3.026 20 0 FGADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037454 500907468 /nfs/dbraw/zinc/90/74/68/500907468.db2.gz NHONXSUFWXJKFH-JXXFODFXSA-N 2 1 351.485 3.026 20 0 FGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081675 500920217 /nfs/dbraw/zinc/92/02/17/500920217.db2.gz HBOZUROXWNNBNG-ROUUACIJSA-N 2 1 366.571 3.295 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(COC)CC2)CC1 ZINC000449081923 500920425 /nfs/dbraw/zinc/92/04/25/500920425.db2.gz IZAVMWANSXJRIW-UHFFFAOYSA-N 2 1 359.558 3.119 20 0 FGADMP C[C@H](C[NH2+]C[C@H](C1CCCCC1)[NH+](C)C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081921 500920446 /nfs/dbraw/zinc/92/04/46/500920446.db2.gz IYXSIDSKFGQRCG-OXQOHEQNSA-N 2 1 366.571 3.294 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000449081635 500920453 /nfs/dbraw/zinc/92/04/53/500920453.db2.gz GUVAVNJANKSTOI-CALCHBBNSA-N 2 1 354.498 3.253 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000449081635 500920454 /nfs/dbraw/zinc/92/04/54/500920454.db2.gz GUVAVNJANKSTOI-CALCHBBNSA-N 2 1 354.498 3.253 20 0 FGADMP Cc1cnc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000449091112 500922679 /nfs/dbraw/zinc/92/26/79/500922679.db2.gz PQWXHFWXRYRESJ-UHFFFAOYSA-N 2 1 358.555 3.139 20 0 FGADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449093313 500923561 /nfs/dbraw/zinc/92/35/61/500923561.db2.gz OOSTWONLAPKFSO-ZDUSSCGKSA-N 2 1 361.313 3.197 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449234581 500953767 /nfs/dbraw/zinc/95/37/67/500953767.db2.gz QQNMWWZSBFJIAG-IBGZPJMESA-N 2 1 351.450 3.074 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000435375288 500961930 /nfs/dbraw/zinc/96/19/30/500961930.db2.gz LMKWSTPALKHAEV-RDJZCZTQSA-N 2 1 356.514 3.483 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383896 500964250 /nfs/dbraw/zinc/96/42/50/500964250.db2.gz JUWFIWIUEJMKBC-STZQEDGTSA-N 2 1 373.504 3.494 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000435384750 500965055 /nfs/dbraw/zinc/96/50/55/500965055.db2.gz OCTHJQZMQKMVHM-KRWDZBQOSA-N 2 1 350.466 3.482 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000435384750 500965059 /nfs/dbraw/zinc/96/50/59/500965059.db2.gz OCTHJQZMQKMVHM-KRWDZBQOSA-N 2 1 350.466 3.482 20 0 FGADMP c1cn(-c2ccc(C[N@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2)cn1 ZINC000435392763 500966947 /nfs/dbraw/zinc/96/69/47/500966947.db2.gz XMZSROWRICKTPL-OAQYLSRUSA-N 2 1 361.493 3.412 20 0 FGADMP c1cn(-c2ccc(C[N@@H+](Cc3ccccn3)[C@@H]3CCC[NH2+]CC3)cc2)cn1 ZINC000435392763 500966949 /nfs/dbraw/zinc/96/69/49/500966949.db2.gz XMZSROWRICKTPL-OAQYLSRUSA-N 3 1 361.493 3.412 20 0 FGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435397979 500968253 /nfs/dbraw/zinc/96/82/53/500968253.db2.gz LSVNXTUXNGGFCJ-OAHLLOKOSA-N 2 1 352.404 3.121 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435397979 500968254 /nfs/dbraw/zinc/96/82/54/500968254.db2.gz LSVNXTUXNGGFCJ-OAHLLOKOSA-N 2 1 352.404 3.121 20 0 FGADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000449305318 500971643 /nfs/dbraw/zinc/97/16/43/500971643.db2.gz RTLXRZVHMAQNAZ-CQSZACIVSA-N 2 1 374.356 3.376 20 0 FGADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)CC1 ZINC000440197896 500986229 /nfs/dbraw/zinc/98/62/29/500986229.db2.gz WVKGLCVVNPEBAF-LHQJTOJGSA-N 2 1 364.578 3.011 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000440323896 500996301 /nfs/dbraw/zinc/99/63/01/500996301.db2.gz DXAPELDWOVHGJM-LPHOPBHVSA-N 2 1 374.554 3.432 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000440323896 500996303 /nfs/dbraw/zinc/99/63/03/500996303.db2.gz DXAPELDWOVHGJM-LPHOPBHVSA-N 2 1 374.554 3.432 20 0 FGADMP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000449511515 501021926 /nfs/dbraw/zinc/02/19/26/501021926.db2.gz NNBSRDBKNDEPNU-BEFAXECRSA-N 2 1 353.576 3.288 20 0 FGADMP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000449511515 501021928 /nfs/dbraw/zinc/02/19/28/501021928.db2.gz NNBSRDBKNDEPNU-BEFAXECRSA-N 2 1 353.576 3.288 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@@H](CO)C(C)C ZINC000449511517 501022005 /nfs/dbraw/zinc/02/20/05/501022005.db2.gz NNBSRDBKNDEPNU-HNAYVOBHSA-N 2 1 353.576 3.288 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@@H](CO)C(C)C ZINC000449511517 501022006 /nfs/dbraw/zinc/02/20/06/501022006.db2.gz NNBSRDBKNDEPNU-HNAYVOBHSA-N 2 1 353.576 3.288 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@H](C)n3ccnc32)CC1 ZINC000449573820 501036035 /nfs/dbraw/zinc/03/60/35/501036035.db2.gz SFQBUXSPBRZDEX-HKUYNNGSSA-N 2 1 353.514 3.211 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449674877 501059150 /nfs/dbraw/zinc/05/91/50/501059150.db2.gz XIAGZHLNJGAETL-SJORKVTESA-N 2 1 358.448 3.390 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449674877 501059153 /nfs/dbraw/zinc/05/91/53/501059153.db2.gz XIAGZHLNJGAETL-SJORKVTESA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449674877 501059156 /nfs/dbraw/zinc/05/91/56/501059156.db2.gz XIAGZHLNJGAETL-SJORKVTESA-N 2 1 358.448 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000449674877 501059159 /nfs/dbraw/zinc/05/91/59/501059159.db2.gz XIAGZHLNJGAETL-SJORKVTESA-N 2 1 358.448 3.390 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449785992 501086880 /nfs/dbraw/zinc/08/68/80/501086880.db2.gz KJLSXINHFVSGQQ-OAQYLSRUSA-N 2 1 358.574 3.132 20 0 FGADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450339781 501094914 /nfs/dbraw/zinc/09/49/14/501094914.db2.gz BTGWUKYRMPARBL-XQBPLPMBSA-N 2 1 360.542 3.065 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccco2)cc1)C1CC1 ZINC000446429964 501120524 /nfs/dbraw/zinc/12/05/24/501120524.db2.gz QYGCNWFJLFAUPP-UHFFFAOYSA-N 2 1 369.509 3.468 20 0 FGADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000450467276 501128288 /nfs/dbraw/zinc/12/82/88/501128288.db2.gz IKRYFNUSHOOTTM-AUSIDOKSSA-N 2 1 367.537 3.185 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000446564645 501133980 /nfs/dbraw/zinc/13/39/80/501133980.db2.gz LOOMBEIBCOLUJM-QGZVFWFLSA-N 2 1 360.546 3.423 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC34CCC(CC3)C4)CC2)C[C@H](C)O1 ZINC000450649147 501176403 /nfs/dbraw/zinc/17/64/03/501176403.db2.gz KWKRBJSHHABQSR-FUUYNRHESA-N 2 1 350.547 3.157 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC34CCC(CC3)C4)CC2)C[C@H](C)O1 ZINC000450649147 501176404 /nfs/dbraw/zinc/17/64/04/501176404.db2.gz KWKRBJSHHABQSR-FUUYNRHESA-N 2 1 350.547 3.157 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCC1 ZINC000611639501 506238703 /nfs/dbraw/zinc/23/87/03/506238703.db2.gz DZLGKWZAUSANEP-ZWKOTPCHSA-N 2 1 364.534 3.082 20 0 FGADMP CC[C@@]1(O)CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@@](O)(CC)C3)c2)C1 ZINC000450779132 501207481 /nfs/dbraw/zinc/20/74/81/501207481.db2.gz MVSMZEFSOSWBLM-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC000450878763 501223285 /nfs/dbraw/zinc/22/32/85/501223285.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878763 501223286 /nfs/dbraw/zinc/22/32/86/501223286.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 2 1 364.603 3.468 20 0 FGADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC000450878763 501223287 /nfs/dbraw/zinc/22/32/87/501223287.db2.gz TXOCNTBSNWZYNZ-MOPGFXCFSA-N 2 1 364.603 3.468 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(Cl)cc(F)cc3C2)CC1 ZINC000451160447 501248989 /nfs/dbraw/zinc/24/89/89/501248989.db2.gz GULLVVZWFUWYAL-UHFFFAOYSA-N 2 1 353.913 3.253 20 0 FGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451403627 501284446 /nfs/dbraw/zinc/28/44/46/501284446.db2.gz DORGXNSHMCHUIP-OIISXLGYSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451403627 501284448 /nfs/dbraw/zinc/28/44/48/501284448.db2.gz DORGXNSHMCHUIP-OIISXLGYSA-N 2 1 371.447 3.068 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCc3ccccc3CC2)C1 ZINC000453198187 501289310 /nfs/dbraw/zinc/28/93/10/501289310.db2.gz ONSFXQFXTWPYDR-QHCPKHFHSA-N 2 1 350.506 3.290 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453218864 501292951 /nfs/dbraw/zinc/29/29/51/501292951.db2.gz NUUCYZQLIJQSQK-SRHPJPHMSA-N 2 1 356.510 3.361 20 0 FGADMP CCc1cccc(C[N@H+]2CCC[C@@H](CN3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529607 501313444 /nfs/dbraw/zinc/31/34/44/501313444.db2.gz NKWIECFQXSSBNW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1cccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529607 501313448 /nfs/dbraw/zinc/31/34/48/501313448.db2.gz NKWIECFQXSSBNW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1cccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451529607 501313450 /nfs/dbraw/zinc/31/34/50/501313450.db2.gz NKWIECFQXSSBNW-QFIPXVFZSA-N 2 1 357.542 3.015 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532439 501315551 /nfs/dbraw/zinc/31/55/51/501315551.db2.gz TURJEDIQCWAZMO-TZIWHRDSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532439 501315553 /nfs/dbraw/zinc/31/55/53/501315553.db2.gz TURJEDIQCWAZMO-TZIWHRDSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532439 501315555 /nfs/dbraw/zinc/31/55/55/501315555.db2.gz TURJEDIQCWAZMO-TZIWHRDSSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H](C)C3CCCCC3)C2)CC1 ZINC000451532439 501315557 /nfs/dbraw/zinc/31/55/57/501315557.db2.gz TURJEDIQCWAZMO-TZIWHRDSSA-N 2 1 363.590 3.469 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000453448753 501334699 /nfs/dbraw/zinc/33/46/99/501334699.db2.gz QCVICRLKVVLWTD-WOIUINJBSA-N 2 1 371.569 3.367 20 0 FGADMP CC[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000455601091 501343775 /nfs/dbraw/zinc/34/37/75/501343775.db2.gz BZGOQCJZQIMGFN-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455601091 501343776 /nfs/dbraw/zinc/34/37/76/501343776.db2.gz BZGOQCJZQIMGFN-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455601091 501343782 /nfs/dbraw/zinc/34/37/82/501343782.db2.gz BZGOQCJZQIMGFN-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455612234 501347156 /nfs/dbraw/zinc/34/71/56/501347156.db2.gz AWGVNGJSHSJPJG-CRAIPNDOSA-N 2 1 351.454 3.456 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cccc(I)c1)C1CC1 ZINC000453595789 501356798 /nfs/dbraw/zinc/35/67/98/501356798.db2.gz KTSUDVSXFUBVPN-UHFFFAOYSA-N 2 1 358.267 3.255 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)C1CC1 ZINC000453601791 501358708 /nfs/dbraw/zinc/35/87/08/501358708.db2.gz VWUILSSSNAOEMP-UHFFFAOYSA-N 2 1 351.857 3.024 20 0 FGADMP COc1cc(Br)c(C[NH2+]CCCC[N@@H+](C)C2CC2)c(OC)c1 ZINC000453602514 501358732 /nfs/dbraw/zinc/35/87/32/501358732.db2.gz WGFNKWFRIRVPTM-UHFFFAOYSA-N 2 1 371.319 3.430 20 0 FGADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000452010953 501418161 /nfs/dbraw/zinc/41/81/61/501418161.db2.gz CAMRKEKAULDWTH-MEMLXQNLSA-N 2 1 359.558 3.289 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3C[C@H]4CCC[C@@H](C3)[N@@H+]4C)ccc21 ZINC000455936424 501420319 /nfs/dbraw/zinc/42/03/19/501420319.db2.gz RUYDZSJCWLKFSP-AQDPXUSMSA-N 2 1 356.514 3.372 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cnccc2c1 ZINC000455982403 501431717 /nfs/dbraw/zinc/43/17/17/501431717.db2.gz LOOQSEOHEVTPLO-FQEVSTJZSA-N 2 1 369.513 3.115 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508434 501462089 /nfs/dbraw/zinc/46/20/89/501462089.db2.gz OKNMJMTUVXAEBP-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508434 501462092 /nfs/dbraw/zinc/46/20/92/501462092.db2.gz OKNMJMTUVXAEBP-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508434 501462095 /nfs/dbraw/zinc/46/20/95/501462095.db2.gz OKNMJMTUVXAEBP-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519181 501464622 /nfs/dbraw/zinc/46/46/22/501464622.db2.gz WCDFCTBHJUHCAR-HLAWJBBLSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519181 501464626 /nfs/dbraw/zinc/46/46/26/501464626.db2.gz WCDFCTBHJUHCAR-HLAWJBBLSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519181 501464628 /nfs/dbraw/zinc/46/46/28/501464628.db2.gz WCDFCTBHJUHCAR-HLAWJBBLSA-N 2 1 372.557 3.021 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000458977054 501569584 /nfs/dbraw/zinc/56/95/84/501569584.db2.gz OSCUZAPKKWJBSJ-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000458977054 501569587 /nfs/dbraw/zinc/56/95/87/501569587.db2.gz OSCUZAPKKWJBSJ-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000458977054 501569591 /nfs/dbraw/zinc/56/95/91/501569591.db2.gz OSCUZAPKKWJBSJ-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000459061603 501585708 /nfs/dbraw/zinc/58/57/08/501585708.db2.gz PXNLYQKLLZYSAM-MRXNPFEDSA-N 2 1 357.502 3.174 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C2 ZINC000456740299 501590585 /nfs/dbraw/zinc/59/05/85/501590585.db2.gz YTBRSBCIGQHGIW-QGZVFWFLSA-N 2 1 360.546 3.113 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[NH+](C)C1CC1 ZINC000454619994 501593846 /nfs/dbraw/zinc/59/38/46/501593846.db2.gz OMXNUJMEUJTZQN-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@H+](C)C1CC1 ZINC000454619994 501593850 /nfs/dbraw/zinc/59/38/50/501593850.db2.gz OMXNUJMEUJTZQN-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000454619994 501593854 /nfs/dbraw/zinc/59/38/54/501593854.db2.gz OMXNUJMEUJTZQN-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646025 501600312 /nfs/dbraw/zinc/60/03/12/501600312.db2.gz PIZAEXDZFVMQPG-IRXDYDNUSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000456999063 501632624 /nfs/dbraw/zinc/63/26/24/501632624.db2.gz SJPSCVLYMGALBV-OAQYLSRUSA-N 2 1 351.494 3.315 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459416132 501650157 /nfs/dbraw/zinc/65/01/57/501650157.db2.gz QBHXTWLCSKUWMW-ZRBLBEILSA-N 2 1 364.537 3.281 20 0 FGADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459416132 501650158 /nfs/dbraw/zinc/65/01/58/501650158.db2.gz QBHXTWLCSKUWMW-ZRBLBEILSA-N 2 1 364.537 3.281 20 0 FGADMP CN(C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459416132 501650160 /nfs/dbraw/zinc/65/01/60/501650160.db2.gz QBHXTWLCSKUWMW-ZRBLBEILSA-N 2 1 364.537 3.281 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000459569579 501678490 /nfs/dbraw/zinc/67/84/90/501678490.db2.gz CWBXSUYYSGWYGA-UHFFFAOYSA-N 2 1 362.514 3.252 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457441 501701911 /nfs/dbraw/zinc/70/19/11/501701911.db2.gz NROKTAIHGSYTQO-IFMALSPDSA-N 2 1 372.557 3.197 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764047 501710724 /nfs/dbraw/zinc/71/07/24/501710724.db2.gz WNIQZMUJYBRLEN-BWAGFHJFSA-N 2 1 368.521 3.271 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000457529577 501717286 /nfs/dbraw/zinc/71/72/86/501717286.db2.gz PQEBSGSWCBDBDN-IBGZPJMESA-N 2 1 360.546 3.060 20 0 FGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000607805794 506269264 /nfs/dbraw/zinc/26/92/64/506269264.db2.gz JZMUWLZRZPOKPV-CQSZACIVSA-N 2 1 358.873 3.229 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@H](C)C1 ZINC000463572082 501765581 /nfs/dbraw/zinc/76/55/81/501765581.db2.gz XFFZWWUWNHZZGB-DZVQBONVSA-N 2 1 360.542 3.461 20 0 FGADMP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000474294253 501779330 /nfs/dbraw/zinc/77/93/30/501779330.db2.gz NVPXNDYSOYZVHX-UHFFFAOYSA-N 2 1 369.553 3.103 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718456 501781253 /nfs/dbraw/zinc/78/12/53/501781253.db2.gz SGKMWJQWXKDUSA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470718456 501781258 /nfs/dbraw/zinc/78/12/58/501781258.db2.gz SGKMWJQWXKDUSA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470718456 501781260 /nfs/dbraw/zinc/78/12/60/501781260.db2.gz SGKMWJQWXKDUSA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774017 501798610 /nfs/dbraw/zinc/79/86/10/501798610.db2.gz QRQOFUJUOMXDIW-NZQKXSOJSA-N 2 1 352.522 3.407 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774017 501798612 /nfs/dbraw/zinc/79/86/12/501798612.db2.gz QRQOFUJUOMXDIW-NZQKXSOJSA-N 2 1 352.522 3.407 20 0 FGADMP CCCN(CCC)C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000460347172 501799385 /nfs/dbraw/zinc/79/93/85/501799385.db2.gz MTMKTQWXYSDJAD-RTBURBONSA-N 2 1 359.558 3.381 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@@H]1C ZINC000463736996 501806151 /nfs/dbraw/zinc/80/61/51/501806151.db2.gz XOCAXFYBSWAJGJ-OVQGTLEDSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@H]1C ZINC000463736995 501806829 /nfs/dbraw/zinc/80/68/29/501806829.db2.gz XOCAXFYBSWAJGJ-JYWFKMLOSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC2(CCC2)C1 ZINC000470867810 501835159 /nfs/dbraw/zinc/83/51/59/501835159.db2.gz GKAHFQCQAPGOKE-LJQANCHMSA-N 2 1 369.553 3.422 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)cc1)C1CC1 ZINC000477951374 501838217 /nfs/dbraw/zinc/83/82/17/501838217.db2.gz SBXUZGUORNMKKL-UHFFFAOYSA-N 2 1 355.526 3.277 20 0 FGADMP CCOC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000474464891 501845271 /nfs/dbraw/zinc/84/52/71/501845271.db2.gz VGDZSZTYXFPBHP-FGZHOGPDSA-N 2 1 359.558 3.119 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969419 501876263 /nfs/dbraw/zinc/87/62/63/501876263.db2.gz CBPYBWVQUJAMLT-TZIWHRDSSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969419 501876269 /nfs/dbraw/zinc/87/62/69/501876269.db2.gz CBPYBWVQUJAMLT-TZIWHRDSSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969419 501876272 /nfs/dbraw/zinc/87/62/72/501876272.db2.gz CBPYBWVQUJAMLT-TZIWHRDSSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000470969419 501876278 /nfs/dbraw/zinc/87/62/78/501876278.db2.gz CBPYBWVQUJAMLT-TZIWHRDSSA-N 2 1 368.521 3.243 20 0 FGADMP COc1cccc(OCC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470996472 501886023 /nfs/dbraw/zinc/88/60/23/501886023.db2.gz RMEPXLWOEYOOLY-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1cccc(OCC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470996472 501886030 /nfs/dbraw/zinc/88/60/30/501886030.db2.gz RMEPXLWOEYOOLY-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1cccc(OCC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470996472 501886034 /nfs/dbraw/zinc/88/60/34/501886034.db2.gz RMEPXLWOEYOOLY-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP COc1cccc(OCC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000470996472 501886042 /nfs/dbraw/zinc/88/60/42/501886042.db2.gz RMEPXLWOEYOOLY-BGYRXZFFSA-N 2 1 352.478 3.138 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000474594777 501886531 /nfs/dbraw/zinc/88/65/31/501886531.db2.gz FZVRQPLKPOFEHV-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000474594777 501886534 /nfs/dbraw/zinc/88/65/34/501886534.db2.gz FZVRQPLKPOFEHV-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000474729809 501935928 /nfs/dbraw/zinc/93/59/28/501935928.db2.gz GTVFECFFAAGXTR-WOJBJXKFSA-N 2 1 371.569 3.309 20 0 FGADMP CN(C)c1nc(N2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987981 501936644 /nfs/dbraw/zinc/93/66/44/501936644.db2.gz DKTVHRHVLJMJHS-RTBURBONSA-N 2 1 351.498 3.034 20 0 FGADMP CN(C)c1nc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987981 501936650 /nfs/dbraw/zinc/93/66/50/501936650.db2.gz DKTVHRHVLJMJHS-RTBURBONSA-N 2 1 351.498 3.034 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768109 501946491 /nfs/dbraw/zinc/94/64/91/501946491.db2.gz PRBHXOKGXCBTGB-FXAWDEMLSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768109 501946494 /nfs/dbraw/zinc/94/64/94/501946494.db2.gz PRBHXOKGXCBTGB-FXAWDEMLSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474768109 501946498 /nfs/dbraw/zinc/94/64/98/501946498.db2.gz PRBHXOKGXCBTGB-FXAWDEMLSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474768109 501946501 /nfs/dbraw/zinc/94/65/01/501946501.db2.gz PRBHXOKGXCBTGB-FXAWDEMLSA-N 2 1 361.505 3.171 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000471219104 501959354 /nfs/dbraw/zinc/95/93/54/501959354.db2.gz GIOAUGREDWMCLL-ZWKOTPCHSA-N 2 1 351.922 3.179 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)c2)CC1 ZINC000474831543 501966484 /nfs/dbraw/zinc/96/64/84/501966484.db2.gz LMLHAQNGKCLSFZ-NRFANRHFSA-N 2 1 370.541 3.174 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000482084296 501969795 /nfs/dbraw/zinc/96/97/95/501969795.db2.gz WTGUASNVJMRGFY-YYWHXJBOSA-N 2 1 357.542 3.497 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000482135359 501985319 /nfs/dbraw/zinc/98/53/19/501985319.db2.gz DPVWMUJMSWKTEO-KBXCAEBGSA-N 2 1 353.457 3.394 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000611756663 506286476 /nfs/dbraw/zinc/28/64/76/506286476.db2.gz BFGYTZVPTFWKCQ-RBBKRZOGSA-N 2 1 369.553 3.056 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCc1sccc1C ZINC000482148188 501990224 /nfs/dbraw/zinc/99/02/24/501990224.db2.gz YWSAZBFOMYBJML-DLBZAZTESA-N 2 1 351.560 3.163 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1F ZINC000482159036 501993329 /nfs/dbraw/zinc/99/33/29/501993329.db2.gz VYHWNLIHFSBPPX-QUCCMNQESA-N 2 1 363.521 3.274 20 0 FGADMP C[C@H]1c2ccccc2CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475016129 502021759 /nfs/dbraw/zinc/02/17/59/502021759.db2.gz FRMGALZZSZBAML-LAUBAEHRSA-N 2 1 351.494 3.025 20 0 FGADMP C[C@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475016129 502021763 /nfs/dbraw/zinc/02/17/63/502021763.db2.gz FRMGALZZSZBAML-LAUBAEHRSA-N 2 1 351.494 3.025 20 0 FGADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269412 502057720 /nfs/dbraw/zinc/05/77/20/502057720.db2.gz XCIVBYKKDXHOPT-QZTJIDSGSA-N 2 1 351.922 3.276 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269412 502057722 /nfs/dbraw/zinc/05/77/22/502057722.db2.gz XCIVBYKKDXHOPT-QZTJIDSGSA-N 2 1 351.922 3.276 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C2 ZINC000475107765 502062922 /nfs/dbraw/zinc/06/29/22/502062922.db2.gz GVDAQRWDBZTFIH-XFQAVAEZSA-N 2 1 360.546 3.265 20 0 FGADMP CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475163171 502087561 /nfs/dbraw/zinc/08/75/61/502087561.db2.gz FWVDKWUCRSLSSJ-ICSRJNTNSA-N 2 1 374.573 3.269 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000478808231 502092899 /nfs/dbraw/zinc/09/28/99/502092899.db2.gz UUDHHBRSQUPTNT-NRFANRHFSA-N 2 1 372.557 3.133 20 0 FGADMP CC[C@]1(C)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000464781465 502093739 /nfs/dbraw/zinc/09/37/39/502093739.db2.gz VKRZGFURSCTXBS-JOCHJYFZSA-N 2 1 357.542 3.411 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@H](C)C1 ZINC000482531798 502102747 /nfs/dbraw/zinc/10/27/47/502102747.db2.gz JOYXJOAPJGPURF-VQIMIIECSA-N 2 1 352.494 3.103 20 0 FGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265186 502104825 /nfs/dbraw/zinc/10/48/25/502104825.db2.gz GCGIFQABBHVMDU-DENIHFKCSA-N 2 1 371.569 3.035 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000464881101 502136777 /nfs/dbraw/zinc/13/67/77/502136777.db2.gz QTZRLDIFUTURTN-NHCUHLMSSA-N 2 1 357.542 3.163 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000471832153 502147568 /nfs/dbraw/zinc/14/75/68/502147568.db2.gz JUAJOGVVWAXZJD-FPOVZHCZSA-N 2 1 351.494 3.297 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000471832153 502147572 /nfs/dbraw/zinc/14/75/72/502147572.db2.gz JUAJOGVVWAXZJD-FPOVZHCZSA-N 2 1 351.494 3.297 20 0 FGADMP COC[C@H]1CCCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000468693841 502149092 /nfs/dbraw/zinc/14/90/92/502149092.db2.gz LNPYJXDSUMVNQH-IBGZPJMESA-N 2 1 359.558 3.466 20 0 FGADMP Cc1nc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1C ZINC000465051963 502181634 /nfs/dbraw/zinc/18/16/34/502181634.db2.gz FJQOQKWOVDZYLB-UHFFFAOYSA-N 2 1 350.576 3.392 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035012 502206476 /nfs/dbraw/zinc/20/64/76/502206476.db2.gz LMHZUYYYAWAXLI-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035012 502206482 /nfs/dbraw/zinc/20/64/82/502206482.db2.gz LMHZUYYYAWAXLI-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000472035012 502206486 /nfs/dbraw/zinc/20/64/86/502206486.db2.gz LMHZUYYYAWAXLI-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000472035012 502206493 /nfs/dbraw/zinc/20/64/93/502206493.db2.gz LMHZUYYYAWAXLI-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000472040021 502207590 /nfs/dbraw/zinc/20/75/90/502207590.db2.gz YCWCSMJSGXYBCZ-HDAAZOAOSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185597 502209145 /nfs/dbraw/zinc/20/91/45/502209145.db2.gz DVYGBVWZRBFZGB-YJBOKZPZSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185597 502209148 /nfs/dbraw/zinc/20/91/48/502209148.db2.gz DVYGBVWZRBFZGB-YJBOKZPZSA-N 2 1 351.922 3.037 20 0 FGADMP O=C([C@@H]1CC[N@@H+]1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000468888051 502219168 /nfs/dbraw/zinc/21/91/68/502219168.db2.gz HUKOQVHHJIOMEM-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CC[N@H+]1Cc1ccccc1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000468888051 502219174 /nfs/dbraw/zinc/21/91/74/502219174.db2.gz HUKOQVHHJIOMEM-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000482966916 502230819 /nfs/dbraw/zinc/23/08/19/502230819.db2.gz WTSFKLNNEQZTGH-FQEVSTJZSA-N 2 1 357.542 3.137 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353432 502233309 /nfs/dbraw/zinc/23/33/09/502233309.db2.gz TZTVYCXLMVHTGC-WNRNVDISSA-N 2 1 364.534 3.128 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000472116366 502237660 /nfs/dbraw/zinc/23/76/60/502237660.db2.gz XHHMJTFQDQLHPC-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000472129378 502242860 /nfs/dbraw/zinc/24/28/60/502242860.db2.gz BCTCQVRABMIQLJ-KZNAEPCWSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000472152879 502250381 /nfs/dbraw/zinc/25/03/81/502250381.db2.gz HJCKIJVEKIGHPR-INIZCTEOSA-N 2 1 369.509 3.058 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268709 /nfs/dbraw/zinc/26/87/09/502268709.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268714 /nfs/dbraw/zinc/26/87/14/502268714.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268718 /nfs/dbraw/zinc/26/87/18/502268718.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268722 /nfs/dbraw/zinc/26/87/22/502268722.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268725 /nfs/dbraw/zinc/26/87/25/502268725.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268728 /nfs/dbraw/zinc/26/87/28/502268728.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468599 502268730 /nfs/dbraw/zinc/26/87/30/502268730.db2.gz YREZBCKAFRYYQI-MZYLBHOOSA-N 3 1 373.585 3.235 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462004215 502270400 /nfs/dbraw/zinc/27/04/00/502270400.db2.gz QBAVOTFOAOOQEH-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462004215 502270405 /nfs/dbraw/zinc/27/04/05/502270405.db2.gz QBAVOTFOAOOQEH-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462004215 502270411 /nfs/dbraw/zinc/27/04/11/502270411.db2.gz QBAVOTFOAOOQEH-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462010896 502273273 /nfs/dbraw/zinc/27/32/73/502273273.db2.gz MSHNWHXSTQVOTM-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462010896 502273278 /nfs/dbraw/zinc/27/32/78/502273278.db2.gz MSHNWHXSTQVOTM-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462010896 502273285 /nfs/dbraw/zinc/27/32/85/502273285.db2.gz MSHNWHXSTQVOTM-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1 ZINC000462012473 502273364 /nfs/dbraw/zinc/27/33/64/502273364.db2.gz IIJWGFRVTFOOFX-INIZCTEOSA-N 2 1 370.497 3.130 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230594 502278168 /nfs/dbraw/zinc/27/81/68/502278168.db2.gz GQSBFJVLEIDADJ-QFBILLFUSA-N 2 1 361.917 3.109 20 0 FGADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000462056128 502289683 /nfs/dbraw/zinc/28/96/83/502289683.db2.gz HNLUVZWAZYFSNZ-OAQYLSRUSA-N 2 1 357.542 3.423 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000483147794 502290651 /nfs/dbraw/zinc/29/06/51/502290651.db2.gz CMCVUEGDBJTRQL-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000483147794 502290655 /nfs/dbraw/zinc/29/06/55/502290655.db2.gz CMCVUEGDBJTRQL-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483147794 502290661 /nfs/dbraw/zinc/29/06/61/502290661.db2.gz CMCVUEGDBJTRQL-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540490 502298329 /nfs/dbraw/zinc/29/83/29/502298329.db2.gz LFKBTUYVGODXJK-VQTJNVASSA-N 2 1 364.578 3.061 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000465544576 502300257 /nfs/dbraw/zinc/30/02/57/502300257.db2.gz MSGXGXLAJNRBSD-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000465575864 502312405 /nfs/dbraw/zinc/31/24/05/502312405.db2.gz QXRRYPNKXUZCFB-RXVVDRJESA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)C[C@H](C)O1 ZINC000486960156 502316700 /nfs/dbraw/zinc/31/67/00/502316700.db2.gz AYFWFTJJHQCDGA-WOQGQJNTSA-N 2 1 351.494 3.494 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266304 502333676 /nfs/dbraw/zinc/33/36/76/502333676.db2.gz JVZBBIRDGPWNFJ-BGYRXZFFSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266304 502333681 /nfs/dbraw/zinc/33/36/81/502333681.db2.gz JVZBBIRDGPWNFJ-BGYRXZFFSA-N 2 1 371.569 3.466 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CCC3CCCCC3)c2)C1 ZINC000483313767 502348373 /nfs/dbraw/zinc/34/83/73/502348373.db2.gz XXFUEIBMERQFPK-NRFANRHFSA-N 2 1 357.542 3.444 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C(C)C)cc1 ZINC000465735951 502364483 /nfs/dbraw/zinc/36/44/83/502364483.db2.gz BXYQLILTSRLNSW-NRFANRHFSA-N 2 1 374.573 3.368 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC000479945193 502427072 /nfs/dbraw/zinc/42/70/72/502427072.db2.gz XTFODNAFJAFMKC-BGYRXZFFSA-N 2 1 352.478 3.316 20 0 FGADMP CCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC000479945193 502427075 /nfs/dbraw/zinc/42/70/75/502427075.db2.gz XTFODNAFJAFMKC-BGYRXZFFSA-N 2 1 352.478 3.316 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469481085 502433730 /nfs/dbraw/zinc/43/37/30/502433730.db2.gz CYASJAVUMUYQAI-BETUJISGSA-N 2 1 368.319 3.322 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469481085 502433733 /nfs/dbraw/zinc/43/37/33/502433733.db2.gz CYASJAVUMUYQAI-BETUJISGSA-N 2 1 368.319 3.322 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567414 502434438 /nfs/dbraw/zinc/43/44/38/502434438.db2.gz JIGPKKFTJBXAHI-HKBOAZHASA-N 2 1 357.542 3.086 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483580853 502436585 /nfs/dbraw/zinc/43/65/85/502436585.db2.gz HYJDZQXELXHYAT-NPDDRXJXSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580853 502436588 /nfs/dbraw/zinc/43/65/88/502436588.db2.gz HYJDZQXELXHYAT-NPDDRXJXSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580853 502436594 /nfs/dbraw/zinc/43/65/94/502436594.db2.gz HYJDZQXELXHYAT-NPDDRXJXSA-N 2 1 369.553 3.372 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000462524699 502474544 /nfs/dbraw/zinc/47/45/44/502474544.db2.gz ADWDSVFBLNHGRT-MOPGFXCFSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000462524699 502474549 /nfs/dbraw/zinc/47/45/49/502474549.db2.gz ADWDSVFBLNHGRT-MOPGFXCFSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462524699 502474553 /nfs/dbraw/zinc/47/45/53/502474553.db2.gz ADWDSVFBLNHGRT-MOPGFXCFSA-N 2 1 366.594 3.401 20 0 FGADMP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@H+](C2CCC2)C1 ZINC000487547284 502475808 /nfs/dbraw/zinc/47/58/08/502475808.db2.gz FYVLHILQOJVNAG-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483786044 502492357 /nfs/dbraw/zinc/49/23/57/502492357.db2.gz SWXDJBCOYWKQES-SBHAEUEKSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483786044 502492360 /nfs/dbraw/zinc/49/23/60/502492360.db2.gz SWXDJBCOYWKQES-SBHAEUEKSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483786044 502492362 /nfs/dbraw/zinc/49/23/62/502492362.db2.gz SWXDJBCOYWKQES-SBHAEUEKSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCO[C@@H]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000588709832 506317182 /nfs/dbraw/zinc/31/71/82/506317182.db2.gz DTULDVXGASFGTN-WERVVEIQSA-N 2 1 352.563 3.403 20 0 FGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710138 506317336 /nfs/dbraw/zinc/31/73/36/506317336.db2.gz QPHOMLOXSWSCAQ-HDICACEKSA-N 2 1 373.541 3.009 20 0 FGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588710138 506317345 /nfs/dbraw/zinc/31/73/45/506317345.db2.gz QPHOMLOXSWSCAQ-HDICACEKSA-N 2 1 373.541 3.009 20 0 FGADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711958 506317577 /nfs/dbraw/zinc/31/75/77/506317577.db2.gz VVHIYZWLYNZGPM-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711958 506317582 /nfs/dbraw/zinc/31/75/82/506317582.db2.gz VVHIYZWLYNZGPM-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](C)C1 ZINC000469729038 502519446 /nfs/dbraw/zinc/51/94/46/502519446.db2.gz NSNLICIGRGKDLU-JXFKEZNVSA-N 2 1 352.482 3.049 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760761 502535026 /nfs/dbraw/zinc/53/50/26/502535026.db2.gz NAQNTBUIADBLOL-ROUUACIJSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765933 502537964 /nfs/dbraw/zinc/53/79/64/502537964.db2.gz AETTYZOHUDQRBX-ZBFHGGJFSA-N 2 1 362.411 3.404 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765933 502537969 /nfs/dbraw/zinc/53/79/69/502537969.db2.gz AETTYZOHUDQRBX-ZBFHGGJFSA-N 2 1 362.411 3.404 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462721431 502549176 /nfs/dbraw/zinc/54/91/76/502549176.db2.gz MAAUSQNHELFOOY-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462721431 502549181 /nfs/dbraw/zinc/54/91/81/502549181.db2.gz MAAUSQNHELFOOY-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462721431 502549185 /nfs/dbraw/zinc/54/91/85/502549185.db2.gz MAAUSQNHELFOOY-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP COCC[NH+]1CCC(NC[C@@H](c2cccc(C(F)(F)F)c2)[NH+](C)C)CC1 ZINC000469800665 502550417 /nfs/dbraw/zinc/55/04/17/502550417.db2.gz RMEQCGJKENRUNR-SFHVURJKSA-N 2 1 373.463 3.009 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000473298281 502562457 /nfs/dbraw/zinc/56/24/57/502562457.db2.gz DEOZSDCAEBAZRA-AEFFLSMTSA-N 2 1 351.560 3.243 20 0 FGADMP Cc1cc2cc(C[N@H+]3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857795 502570374 /nfs/dbraw/zinc/57/03/74/502570374.db2.gz XRXZFHNYKWVTPJ-PXNSSMCTSA-N 2 1 369.509 3.130 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CCN([C@@H](C)c3ccccc3)CC2)n(C)c1C ZINC000462798817 502580453 /nfs/dbraw/zinc/58/04/53/502580453.db2.gz SZZWXKCJOJSQSB-INIZCTEOSA-N 2 1 369.509 3.435 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n(C)c1C ZINC000462798817 502580457 /nfs/dbraw/zinc/58/04/57/502580457.db2.gz SZZWXKCJOJSQSB-INIZCTEOSA-N 2 1 369.509 3.435 20 0 FGADMP O[C@@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000484150971 502586024 /nfs/dbraw/zinc/58/60/24/502586024.db2.gz ZDALZVYAVGMQQS-XZOQPEGZSA-N 2 1 350.506 3.234 20 0 FGADMP O[C@@]1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000484150971 502586029 /nfs/dbraw/zinc/58/60/29/502586029.db2.gz ZDALZVYAVGMQQS-XZOQPEGZSA-N 2 1 350.506 3.234 20 0 FGADMP O[C@@]1(CN[C@H]2CCCOc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484161113 502589367 /nfs/dbraw/zinc/58/93/67/502589367.db2.gz MOWJMUNTJYNWPC-RBBKRZOGSA-N 2 1 370.468 3.266 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523813 502596542 /nfs/dbraw/zinc/59/65/42/502596542.db2.gz AYRCELGLBLXDLV-UKAVVXHISA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523813 502596547 /nfs/dbraw/zinc/59/65/47/502596547.db2.gz AYRCELGLBLXDLV-UKAVVXHISA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523813 502596551 /nfs/dbraw/zinc/59/65/51/502596551.db2.gz AYRCELGLBLXDLV-UKAVVXHISA-N 2 1 372.557 3.164 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473510105 502616254 /nfs/dbraw/zinc/61/62/54/502616254.db2.gz VFPWNFUNSBOAJW-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473510105 502616256 /nfs/dbraw/zinc/61/62/56/502616256.db2.gz VFPWNFUNSBOAJW-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473510105 502616258 /nfs/dbraw/zinc/61/62/58/502616258.db2.gz VFPWNFUNSBOAJW-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480602949 502617383 /nfs/dbraw/zinc/61/73/83/502617383.db2.gz QRUPWMCNFORZME-BBWFWOEESA-N 2 1 367.559 3.077 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480602949 502617386 /nfs/dbraw/zinc/61/73/86/502617386.db2.gz QRUPWMCNFORZME-BBWFWOEESA-N 2 1 367.559 3.077 20 0 FGADMP COc1ccccc1[C@H](C)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488266610 502672845 /nfs/dbraw/zinc/67/28/45/502672845.db2.gz JTRVOPBZGZJIMK-SFHVURJKSA-N 2 1 373.541 3.022 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000484646312 502694031 /nfs/dbraw/zinc/69/40/31/502694031.db2.gz UNXBXRNIEMERII-CTNGQTDRSA-N 2 1 372.557 3.339 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000480896503 502699535 /nfs/dbraw/zinc/69/95/35/502699535.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000480896503 502699542 /nfs/dbraw/zinc/69/95/42/502699542.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000480896503 502699549 /nfs/dbraw/zinc/69/95/49/502699549.db2.gz CYUJDSSJLIZFJJ-DZFGPLHGSA-N 2 1 365.537 3.155 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000477217016 502709658 /nfs/dbraw/zinc/70/96/58/502709658.db2.gz CFGZJGYJOHDSJG-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000470277230 502722670 /nfs/dbraw/zinc/72/26/70/502722670.db2.gz KNWZPTRITIAPQG-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478267 502725628 /nfs/dbraw/zinc/72/56/28/502725628.db2.gz BMYXMWSCGCJODI-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484752434 502731190 /nfs/dbraw/zinc/73/11/90/502731190.db2.gz WJSIBCCHJABVID-KZNAEPCWSA-N 2 1 352.906 3.164 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473884245 502737210 /nfs/dbraw/zinc/73/72/10/502737210.db2.gz HLSPCGOTISQTSB-QUCCMNQESA-N 2 1 360.546 3.195 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[NH+]3CCC(C[NH+](C)C)CC3)c2)cs1 ZINC000481074409 502747404 /nfs/dbraw/zinc/74/74/04/502747404.db2.gz MPYJBNZBZMGXLI-UHFFFAOYSA-N 2 1 372.538 3.331 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558967 502751053 /nfs/dbraw/zinc/75/10/53/502751053.db2.gz MYPUKZPMZAWSLN-RCLSDMTESA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558967 502751055 /nfs/dbraw/zinc/75/10/55/502751055.db2.gz MYPUKZPMZAWSLN-RCLSDMTESA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558967 502751060 /nfs/dbraw/zinc/75/10/60/502751060.db2.gz MYPUKZPMZAWSLN-RCLSDMTESA-N 2 1 372.557 3.021 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176557 502774753 /nfs/dbraw/zinc/77/47/53/502774753.db2.gz KJOTZOBFBWRSAR-TYPHKJRUSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176557 502774757 /nfs/dbraw/zinc/77/47/57/502774757.db2.gz KJOTZOBFBWRSAR-TYPHKJRUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179433 502775333 /nfs/dbraw/zinc/77/53/33/502775333.db2.gz USUFOKJAHPMEQW-XMSQKQJNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179433 502775337 /nfs/dbraw/zinc/77/53/37/502775337.db2.gz USUFOKJAHPMEQW-XMSQKQJNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000481183289 502775688 /nfs/dbraw/zinc/77/56/88/502775688.db2.gz AWWRRHWDRZXRPV-IZZBFERCSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000481183289 502775691 /nfs/dbraw/zinc/77/56/91/502775691.db2.gz AWWRRHWDRZXRPV-IZZBFERCSA-N 2 1 357.542 3.182 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919390 502777332 /nfs/dbraw/zinc/77/73/32/502777332.db2.gz LFKMOFCZRQEGQP-HOCLYGCPSA-N 2 1 368.905 3.310 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919390 502777337 /nfs/dbraw/zinc/77/73/37/502777337.db2.gz LFKMOFCZRQEGQP-HOCLYGCPSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919390 502777339 /nfs/dbraw/zinc/77/73/39/502777339.db2.gz LFKMOFCZRQEGQP-HOCLYGCPSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919390 502777342 /nfs/dbraw/zinc/77/73/42/502777342.db2.gz LFKMOFCZRQEGQP-HOCLYGCPSA-N 2 1 368.905 3.310 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000484932125 502781330 /nfs/dbraw/zinc/78/13/30/502781330.db2.gz CXQAUEKCXVRZQF-DLBZAZTESA-N 2 1 353.466 3.477 20 0 FGADMP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000504909987 502822708 /nfs/dbraw/zinc/82/27/08/502822708.db2.gz VLTMFIVHERCXMT-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072128 502844852 /nfs/dbraw/zinc/84/48/52/502844852.db2.gz YVBPCHFONNCDNR-KNQAVFIVSA-N 2 1 365.521 3.336 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072128 502844856 /nfs/dbraw/zinc/84/48/56/502844856.db2.gz YVBPCHFONNCDNR-KNQAVFIVSA-N 2 1 365.521 3.336 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000495696491 502858273 /nfs/dbraw/zinc/85/82/73/502858273.db2.gz LOLVUNWWEKWYDI-RTBURBONSA-N 2 1 363.571 3.036 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000505157557 502860152 /nfs/dbraw/zinc/86/01/52/502860152.db2.gz WZUFEFSUGSDDFB-FXAWDEMLSA-N 2 1 370.541 3.332 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859611 502879861 /nfs/dbraw/zinc/87/98/61/502879861.db2.gz BCEJPPICCSLSHU-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500859611 502879865 /nfs/dbraw/zinc/87/98/65/502879865.db2.gz BCEJPPICCSLSHU-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500859611 502879868 /nfs/dbraw/zinc/87/98/68/502879868.db2.gz BCEJPPICCSLSHU-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000496411290 502887743 /nfs/dbraw/zinc/88/77/43/502887743.db2.gz LQTZKWGNTBPIAS-QUCCMNQESA-N 2 1 373.541 3.165 20 0 FGADMP COc1cccc([C@@H](C)[NH+]2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000496411290 502887748 /nfs/dbraw/zinc/88/77/48/502887748.db2.gz LQTZKWGNTBPIAS-QUCCMNQESA-N 2 1 373.541 3.165 20 0 FGADMP CN(C(=O)c1sccc1F)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000489148590 502888200 /nfs/dbraw/zinc/88/82/00/502888200.db2.gz PQGGAYQOFWLISQ-IAGOWNOFSA-N 2 1 367.534 3.296 20 0 FGADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000501025161 502914705 /nfs/dbraw/zinc/91/47/05/502914705.db2.gz YXOHGWOVJASNQB-LQWHRVPQSA-N 2 1 372.557 3.171 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501037230 502918627 /nfs/dbraw/zinc/91/86/27/502918627.db2.gz GIUKZSMXCYMVCH-LJQANCHMSA-N 2 1 358.530 3.021 20 0 FGADMP Cc1ccc(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000501068048 502927367 /nfs/dbraw/zinc/92/73/67/502927367.db2.gz KSAIYVFUFUPCQS-UHFFFAOYSA-N 2 1 366.509 3.485 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298231 502930772 /nfs/dbraw/zinc/93/07/72/502930772.db2.gz XYUNVEYDKXHZFY-OXQOHEQNSA-N 2 1 353.466 3.046 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000513466477 502946710 /nfs/dbraw/zinc/94/67/10/502946710.db2.gz GIHRXSMRGIAZRK-UKRRQHHQSA-N 2 1 371.344 3.032 20 0 FGADMP Cn1c2ccc(C[N@H+]3CCC[C@@H](c4ncc5n4CCCC5)C3)cc2oc1=O ZINC000513512947 502956514 /nfs/dbraw/zinc/95/65/14/502956514.db2.gz CKXFSAGLCWCJEX-MRXNPFEDSA-N 2 1 366.465 3.044 20 0 FGADMP CCc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1F ZINC000501244689 502965992 /nfs/dbraw/zinc/96/59/92/502965992.db2.gz KQSUBUJTJOIQLJ-GOSISDBHSA-N 2 1 364.509 3.268 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489491887 502971478 /nfs/dbraw/zinc/97/14/78/502971478.db2.gz FOQNXONCUOSHIS-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516140 502977671 /nfs/dbraw/zinc/97/76/71/502977671.db2.gz FXWOCJWRASMXIY-XLIONFOSSA-N 2 1 374.525 3.119 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C1(C(=O)OC)CCC1 ZINC000497516140 502977676 /nfs/dbraw/zinc/97/76/76/502977676.db2.gz FXWOCJWRASMXIY-XLIONFOSSA-N 2 1 374.525 3.119 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489532283 502980823 /nfs/dbraw/zinc/98/08/23/502980823.db2.gz IEVONIFBOAGYCO-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501350938 502990011 /nfs/dbraw/zinc/99/00/11/502990011.db2.gz YKQMOZJDSSINOS-IEBWSBKVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513683004 503000185 /nfs/dbraw/zinc/00/01/85/503000185.db2.gz DYLNNOUGCSHLKC-ZHHKINOHSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501395471 503000764 /nfs/dbraw/zinc/00/07/64/503000764.db2.gz BEDCJALWUFPQDP-UYAOXDASSA-N 2 1 366.594 3.451 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000513690591 503001850 /nfs/dbraw/zinc/00/18/50/503001850.db2.gz KVSJRXCOWJONAZ-ULQDDVLXSA-N 2 1 353.304 3.290 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000513698027 503003649 /nfs/dbraw/zinc/00/36/49/503003649.db2.gz VOWIWEVNBIPWPK-UHFFFAOYSA-N 2 1 371.569 3.360 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000489684237 503010956 /nfs/dbraw/zinc/01/09/56/503010956.db2.gz MCWGESPGGYWMOG-HUUCEWRRSA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000489684237 503010961 /nfs/dbraw/zinc/01/09/61/503010961.db2.gz MCWGESPGGYWMOG-HUUCEWRRSA-N 2 1 358.452 3.493 20 0 FGADMP Cn1cc(C(F)(F)F)nc1[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000489684237 503010965 /nfs/dbraw/zinc/01/09/65/503010965.db2.gz MCWGESPGGYWMOG-HUUCEWRRSA-N 2 1 358.452 3.493 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000501462806 503014579 /nfs/dbraw/zinc/01/45/79/503014579.db2.gz QZGAUYVGJQXPMT-WWNPGLIZSA-N 2 1 365.521 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000501462806 503014582 /nfs/dbraw/zinc/01/45/82/503014582.db2.gz QZGAUYVGJQXPMT-WWNPGLIZSA-N 2 1 365.521 3.334 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000501492569 503019993 /nfs/dbraw/zinc/01/99/93/503019993.db2.gz VPEAPUZRBFCNFR-RBUKOAKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000501518350 503027442 /nfs/dbraw/zinc/02/74/42/503027442.db2.gz SAESUNJCNWCAQK-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501522097 503028838 /nfs/dbraw/zinc/02/88/38/503028838.db2.gz OVMUAIFOAIDAOL-RTBURBONSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000501546279 503035039 /nfs/dbraw/zinc/03/50/39/503035039.db2.gz NBENNHYAALMOGI-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+](C)Cc1cnc(CNCC2([NH+]3CCCCC3)CCCCC2)s1 ZINC000510178768 503065534 /nfs/dbraw/zinc/06/55/34/503065534.db2.gz ZTIPOEXRSWDDFH-UHFFFAOYSA-N 2 1 350.576 3.483 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000514053812 503076151 /nfs/dbraw/zinc/07/61/51/503076151.db2.gz BEFDBDNEAQWWSX-HKBOAZHASA-N 2 1 370.541 3.058 20 0 FGADMP CCN(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979044 503080474 /nfs/dbraw/zinc/08/04/74/503080474.db2.gz GPSGTEMBCCDBBM-GCJKJVERSA-N 2 1 365.521 3.242 20 0 FGADMP Cc1c2ccccc2oc1[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000514146440 503098325 /nfs/dbraw/zinc/09/83/25/503098325.db2.gz YITNKRDQPYPDNZ-FQEVSTJZSA-N 2 1 357.498 3.192 20 0 FGADMP CC(C)C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514144672 503098497 /nfs/dbraw/zinc/09/84/97/503098497.db2.gz HMPWLZWCZVCICF-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP Cc1c2ccccc2oc1[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)C ZINC000514146441 503098745 /nfs/dbraw/zinc/09/87/45/503098745.db2.gz YITNKRDQPYPDNZ-HXUWFJFHSA-N 2 1 357.498 3.192 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000514222111 503116555 /nfs/dbraw/zinc/11/65/55/503116555.db2.gz MFXKUXWRZUVGEZ-UIBIWLFHSA-N 2 1 366.575 3.016 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000514225772 503117586 /nfs/dbraw/zinc/11/75/86/503117586.db2.gz PKDSGGAYYRXHRM-OKZBNKHCSA-N 2 1 364.534 3.082 20 0 FGADMP Cc1ccccc1OC[C@H](O)CN1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506471148 503121605 /nfs/dbraw/zinc/12/16/05/503121605.db2.gz CBJYYBNOOPWUOI-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471148 503121609 /nfs/dbraw/zinc/12/16/09/503121609.db2.gz CBJYYBNOOPWUOI-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506471148 503121612 /nfs/dbraw/zinc/12/16/12/503121612.db2.gz CBJYYBNOOPWUOI-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506471148 503121617 /nfs/dbraw/zinc/12/16/17/503121617.db2.gz CBJYYBNOOPWUOI-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506471148 503121621 /nfs/dbraw/zinc/12/16/21/503121621.db2.gz CBJYYBNOOPWUOI-PWRODBHTSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000510527533 503135413 /nfs/dbraw/zinc/13/54/13/503135413.db2.gz XULZCXYKQBLLEZ-QMMLZNLJSA-N 2 1 353.510 3.405 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000498254656 503143215 /nfs/dbraw/zinc/14/32/15/503143215.db2.gz VYQWRKGTMYPQFK-XODKDNOYSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000498254656 503143217 /nfs/dbraw/zinc/14/32/17/503143217.db2.gz VYQWRKGTMYPQFK-XODKDNOYSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@H]1C ZINC000498254656 503143218 /nfs/dbraw/zinc/14/32/18/503143218.db2.gz VYQWRKGTMYPQFK-XODKDNOYSA-N 2 1 372.557 3.164 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000502223621 503165451 /nfs/dbraw/zinc/16/54/51/503165451.db2.gz NVCLKPQAXITYSZ-UHFFFAOYSA-N 2 1 356.392 3.443 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506812333 503177166 /nfs/dbraw/zinc/17/71/66/503177166.db2.gz CIAXKBRZQFXYSV-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506812333 503177170 /nfs/dbraw/zinc/17/71/70/503177170.db2.gz CIAXKBRZQFXYSV-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506812333 503177173 /nfs/dbraw/zinc/17/71/73/503177173.db2.gz CIAXKBRZQFXYSV-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000510778979 503190978 /nfs/dbraw/zinc/19/09/78/503190978.db2.gz BOTQZJJZZVZWFW-KZNAEPCWSA-N 2 1 357.542 3.201 20 0 FGADMP Brc1ccc(C[N@@H+](CC[C@H]2CCCO2)CCn2ccnc2)o1 ZINC000510923327 503218326 /nfs/dbraw/zinc/21/83/26/503218326.db2.gz YCAADOQEKXJOJH-CQSZACIVSA-N 2 1 368.275 3.310 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)c1 ZINC000498599749 503223639 /nfs/dbraw/zinc/22/36/39/503223639.db2.gz RVRFAOHNMDFUOW-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP CCCN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000514937508 503231929 /nfs/dbraw/zinc/23/19/29/503231929.db2.gz OGYOZVGWPFEWSS-SFHVURJKSA-N 2 1 372.557 3.484 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696862 503241751 /nfs/dbraw/zinc/24/17/51/503241751.db2.gz SRTSMMFWQTVMIH-PZJWPPBQSA-N 2 1 374.573 3.126 20 0 FGADMP O[C@@H](COc1ccccc1F)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060361 503267539 /nfs/dbraw/zinc/26/75/39/503267539.db2.gz WPHCXGCSRZGJRA-RBUKOAKNSA-N 2 1 364.505 3.153 20 0 FGADMP O[C@@H](COc1ccccc1F)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491060361 503267543 /nfs/dbraw/zinc/26/75/43/503267543.db2.gz WPHCXGCSRZGJRA-RBUKOAKNSA-N 2 1 364.505 3.153 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1)[N@@H+](C)C1CC1 ZINC000502797494 503275015 /nfs/dbraw/zinc/27/50/15/503275015.db2.gz YMNMAOJZTNEEGV-QZTJIDSGSA-N 2 1 372.557 3.432 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000511257308 503288330 /nfs/dbraw/zinc/28/83/30/503288330.db2.gz CYNDUOZPFWHPHQ-BMQTXXJKSA-N 2 1 357.542 3.201 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000511257308 503288334 /nfs/dbraw/zinc/28/83/34/503288334.db2.gz CYNDUOZPFWHPHQ-BMQTXXJKSA-N 2 1 357.542 3.201 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000511271300 503290952 /nfs/dbraw/zinc/29/09/52/503290952.db2.gz VPJTXZUPCRDANU-LJQANCHMSA-N 2 1 372.557 3.190 20 0 FGADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000498918994 503293418 /nfs/dbraw/zinc/29/34/18/503293418.db2.gz NFXXDTHGQWAGQS-OAQYLSRUSA-N 2 1 359.558 3.274 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000502874932 503295988 /nfs/dbraw/zinc/29/59/88/503295988.db2.gz BIURTEFYWFXYAF-HXUWFJFHSA-N 2 1 374.573 3.414 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)c2)C1 ZINC000507521987 503314499 /nfs/dbraw/zinc/31/44/99/503314499.db2.gz CKORTKHGYSMHGI-YPAWHYETSA-N 2 1 369.553 3.442 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441902 503323385 /nfs/dbraw/zinc/32/33/85/503323385.db2.gz VMAJHGOKSKTSDQ-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000499059200 503323894 /nfs/dbraw/zinc/32/38/94/503323894.db2.gz PNJLQKCNTJWAKP-UHFFFAOYSA-N 2 1 355.461 3.296 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000499059200 503323897 /nfs/dbraw/zinc/32/38/97/503323897.db2.gz PNJLQKCNTJWAKP-UHFFFAOYSA-N 2 1 355.461 3.296 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511512943 503335421 /nfs/dbraw/zinc/33/54/21/503335421.db2.gz NHCVCPPYHWIHGN-QUCCMNQESA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511512944 503335673 /nfs/dbraw/zinc/33/56/73/503335673.db2.gz NHCVCPPYHWIHGN-UYAOXDASSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)[N@H+](C)Cc1ccccc1 ZINC000511522975 503337222 /nfs/dbraw/zinc/33/72/22/503337222.db2.gz MWFWHULMBNWDJG-MRXNPFEDSA-N 2 1 353.466 3.132 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)[N@@H+](C)Cc1ccccc1 ZINC000511522975 503337228 /nfs/dbraw/zinc/33/72/28/503337228.db2.gz MWFWHULMBNWDJG-MRXNPFEDSA-N 2 1 353.466 3.132 20 0 FGADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000503065142 503339158 /nfs/dbraw/zinc/33/91/58/503339158.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000503065142 503339162 /nfs/dbraw/zinc/33/91/62/503339162.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000503065142 503339165 /nfs/dbraw/zinc/33/91/65/503339165.db2.gz VAXDCPADSXNUEV-VLCRHTCISA-N 2 1 358.574 3.407 20 0 FGADMP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)c1cc[nH+]cc1Cl ZINC000499150384 503345152 /nfs/dbraw/zinc/34/51/52/503345152.db2.gz WJKGQJVPWVOWKF-UHFFFAOYSA-N 2 1 350.938 3.368 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)[NH+](C)C ZINC000499200486 503354130 /nfs/dbraw/zinc/35/41/30/503354130.db2.gz BZGIWVHVSMOXHS-DYXWJJEUSA-N 2 1 374.573 3.263 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000511668859 503366976 /nfs/dbraw/zinc/36/69/76/503366976.db2.gz WFTUYRQTWUKTKS-OAQYLSRUSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000511668859 503366979 /nfs/dbraw/zinc/36/69/79/503366979.db2.gz WFTUYRQTWUKTKS-OAQYLSRUSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000511668859 503366981 /nfs/dbraw/zinc/36/69/81/503366981.db2.gz WFTUYRQTWUKTKS-OAQYLSRUSA-N 2 1 357.542 3.422 20 0 FGADMP CC[C@H]1C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCO1 ZINC000507815002 503372086 /nfs/dbraw/zinc/37/20/86/503372086.db2.gz NQNFTAJGMQUNLC-UNMCSNQZSA-N 2 1 365.606 3.320 20 0 FGADMP CC[C@H]1C[C@@H](C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507815002 503372089 /nfs/dbraw/zinc/37/20/89/503372089.db2.gz NQNFTAJGMQUNLC-UNMCSNQZSA-N 3 1 365.606 3.320 20 0 FGADMP CC[C@H]1C[C@@H](C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCO1 ZINC000507815002 503372091 /nfs/dbraw/zinc/37/20/91/503372091.db2.gz NQNFTAJGMQUNLC-UNMCSNQZSA-N 3 1 365.606 3.320 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000503441083 503409537 /nfs/dbraw/zinc/40/95/37/503409537.db2.gz GNKADKCINNDFBH-VQTJNVASSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000511914890 503415088 /nfs/dbraw/zinc/41/50/88/503415088.db2.gz BWDKVSPYFZDARA-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)Cc1cnc(CNc2ccccc2C[NH+]2CCSCC2)s1 ZINC000512075520 503451799 /nfs/dbraw/zinc/45/17/99/503451799.db2.gz XRZSOKBFXZPHRA-UHFFFAOYSA-N 2 1 362.568 3.366 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911314 503456662 /nfs/dbraw/zinc/45/66/62/503456662.db2.gz FWAOXDAMPLQTGL-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911314 503456664 /nfs/dbraw/zinc/45/66/64/503456664.db2.gz FWAOXDAMPLQTGL-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000493911314 503456667 /nfs/dbraw/zinc/45/66/67/503456667.db2.gz FWAOXDAMPLQTGL-NRSPTQNISA-N 2 1 372.557 3.069 20 0 FGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000493951946 503464759 /nfs/dbraw/zinc/46/47/59/503464759.db2.gz FYTPDYFYPDVXSH-PGRDOPGGSA-N 2 1 354.494 3.385 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000516207777 503470275 /nfs/dbraw/zinc/47/02/75/503470275.db2.gz VFJWDDZMLQAUEI-UHFFFAOYSA-N 2 1 365.264 3.393 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CN(CC)Cc2ccccc2Cl)C1 ZINC000499852061 503494747 /nfs/dbraw/zinc/49/47/47/503494747.db2.gz ZLDZNTAHWMNYKD-KRWDZBQOSA-N 2 1 365.949 3.352 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCOC)Cc2ccco2)CC1 ZINC000508529038 503513868 /nfs/dbraw/zinc/51/38/68/503513868.db2.gz QGPUMKWAYXMWAT-UHFFFAOYSA-N 2 1 371.525 3.460 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCOC)Cc2ccco2)CC1 ZINC000508529038 503513870 /nfs/dbraw/zinc/51/38/70/503513870.db2.gz QGPUMKWAYXMWAT-UHFFFAOYSA-N 2 1 371.525 3.460 20 0 FGADMP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000516568765 503539119 /nfs/dbraw/zinc/53/91/19/503539119.db2.gz XXFCVEYFJGIFQR-UONOGXRCSA-N 2 1 371.447 3.112 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702654 503547180 /nfs/dbraw/zinc/54/71/80/503547180.db2.gz WEPCCNRESVAODB-DYQZNNLLSA-N 2 1 373.585 3.374 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504316335 503554538 /nfs/dbraw/zinc/55/45/38/503554538.db2.gz HBDCGFOAPTXOAG-RBUKOAKNSA-N 2 1 362.562 3.101 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500250541 503588875 /nfs/dbraw/zinc/58/88/75/503588875.db2.gz OQKHHPLSLNIGDX-OALUTQOASA-N 2 1 372.557 3.165 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)C ZINC000508895916 503591989 /nfs/dbraw/zinc/59/19/89/503591989.db2.gz MAZKXRWLLDXFJE-RMJJICAUSA-N 2 1 360.546 3.110 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+](C)C ZINC000508902342 503595562 /nfs/dbraw/zinc/59/55/62/503595562.db2.gz WFXJRBMWYWGSDS-YHELAOLJSA-N 2 1 372.557 3.112 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512670801 503608860 /nfs/dbraw/zinc/60/88/60/503608860.db2.gz BHWDUBYMJNSLDZ-PWRODBHTSA-N 2 1 365.525 3.046 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000516900018 503612433 /nfs/dbraw/zinc/61/24/33/503612433.db2.gz SPHNZNIXRGFDPX-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CC[N@@H+](CCCN1CCN(c2ccccc2)CC1)CCc1nccs1 ZINC000509007394 503617589 /nfs/dbraw/zinc/61/75/89/503617589.db2.gz GXHDTQUMPIOEFF-UHFFFAOYSA-N 2 1 358.555 3.220 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C[C@H]1C ZINC000512713181 503619102 /nfs/dbraw/zinc/61/91/02/503619102.db2.gz XOWBBCMTOVVZNU-MLYOOKFZSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C[C@H]1C ZINC000512713181 503619106 /nfs/dbraw/zinc/61/91/06/503619106.db2.gz XOWBBCMTOVVZNU-MLYOOKFZSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C[C@H]1C ZINC000512713181 503619108 /nfs/dbraw/zinc/61/91/08/503619108.db2.gz XOWBBCMTOVVZNU-MLYOOKFZSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000509082070 503636985 /nfs/dbraw/zinc/63/69/85/503636985.db2.gz VGLRKKWQXGAMAB-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988298 503645974 /nfs/dbraw/zinc/64/59/74/503645974.db2.gz NNNGOYLSCFMTNA-CQSZACIVSA-N 2 1 370.900 3.359 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000536696328 503685566 /nfs/dbraw/zinc/68/55/66/503685566.db2.gz IQRCYVZJFPGLAP-NRFANRHFSA-N 2 1 370.541 3.422 20 0 FGADMP CC[NH+]1CCC(N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000543283571 503710523 /nfs/dbraw/zinc/71/05/23/503710523.db2.gz IVAUHICMKITDFM-SFHVURJKSA-N 2 1 372.557 3.436 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000543288212 503710930 /nfs/dbraw/zinc/71/09/30/503710930.db2.gz IDKZYUDRTBEOCF-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP COc1cc2c(cc1F)CN(Cc1cn(-c3ccncc3)nc1C)CC2 ZINC000543413839 503761003 /nfs/dbraw/zinc/76/10/03/503761003.db2.gz HBSGUWJNUKUHDO-UHFFFAOYSA-N 2 1 352.413 3.282 20 0 FGADMP CC(C)CSCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000536933496 503764821 /nfs/dbraw/zinc/76/48/21/503764821.db2.gz AVLMQVYDGQGNTD-OALUTQOASA-N 2 1 372.619 3.356 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc(Cl)cc3)CC2)C[C@@H](C)O1 ZINC000536934849 503766462 /nfs/dbraw/zinc/76/64/62/503766462.db2.gz BUZRCAYADXCKSQ-IAGOWNOFSA-N 2 1 366.933 3.430 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517702163 503811497 /nfs/dbraw/zinc/81/14/97/503811497.db2.gz METKRHNAHLMYGC-SFHVURJKSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(F)c3F)cn2)CC1 ZINC000540651077 503845747 /nfs/dbraw/zinc/84/57/47/503845747.db2.gz KFMHVCLZCUQHBR-HNNXBMFYSA-N 2 1 360.452 3.353 20 0 FGADMP c1cc(CNc2cc[nH+]c(N3CCCCC3)n2)cc(C[NH+]2CCCC2)c1 ZINC000543694231 503854292 /nfs/dbraw/zinc/85/42/92/503854292.db2.gz QDGYDWVSDMSNIS-UHFFFAOYSA-N 2 1 351.498 3.097 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715224 503864563 /nfs/dbraw/zinc/86/45/63/503864563.db2.gz LKFYUNSDFWDUDI-MOPGFXCFSA-N 2 1 358.530 3.021 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517917242 503867375 /nfs/dbraw/zinc/86/73/75/503867375.db2.gz BHJKTGZQAQANMM-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ncc(Br)cc2F)c1 ZINC000527634461 503868043 /nfs/dbraw/zinc/86/80/43/503868043.db2.gz OMXLODMOPXIFIQ-UHFFFAOYSA-N 2 1 352.251 3.335 20 0 FGADMP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[C@H](C)[C@H]1OC ZINC000537294835 503870922 /nfs/dbraw/zinc/87/09/22/503870922.db2.gz GXTBCMNEMQKJEU-CWFSZBLJSA-N 2 1 360.546 3.492 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216900 503880834 /nfs/dbraw/zinc/88/08/34/503880834.db2.gz DGVGHUYETHSAGD-WFASDCNBSA-N 2 1 366.303 3.040 20 0 FGADMP Clc1cccnc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000530225322 503882158 /nfs/dbraw/zinc/88/21/58/503882158.db2.gz VTLRHLVZHWRTBF-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1cccnc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000530225322 503882164 /nfs/dbraw/zinc/88/21/64/503882164.db2.gz VTLRHLVZHWRTBF-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530222032 503882248 /nfs/dbraw/zinc/88/22/48/503882248.db2.gz QRNSRQQLPVVEML-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345401 503884177 /nfs/dbraw/zinc/88/41/77/503884177.db2.gz ZGOQDZUJNKUXDR-YLJYHZDGSA-N 2 1 357.498 3.307 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238495 503888349 /nfs/dbraw/zinc/88/83/49/503888349.db2.gz OFILIJAYDRXROK-GOSISDBHSA-N 2 1 373.541 3.013 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000518167936 503919324 /nfs/dbraw/zinc/91/93/24/503919324.db2.gz RIFWSSNVPVVFJH-WMLDXEAASA-N 2 1 367.896 3.107 20 0 FGADMP FC(F)(F)[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)n1cccn1 ZINC000527739558 503921868 /nfs/dbraw/zinc/92/18/68/503921868.db2.gz VXKSHSCEZNHXHU-SFHVURJKSA-N 2 1 366.431 3.283 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000518360770 503962425 /nfs/dbraw/zinc/96/24/25/503962425.db2.gz FWKIAMCHOTUKFC-NQIIRXRSSA-N 2 1 366.594 3.259 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000543995400 503965509 /nfs/dbraw/zinc/96/55/09/503965509.db2.gz IVPINIAJEIDKET-KITAHSCOSA-N 2 1 354.469 3.298 20 0 FGADMP O[C@@]1(C[NH2+]C2CC(c3ccc(F)cc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000543995400 503965517 /nfs/dbraw/zinc/96/55/17/503965517.db2.gz IVPINIAJEIDKET-KITAHSCOSA-N 2 1 354.469 3.298 20 0 FGADMP O[C@H](C[NH2+][C@H]1CCc2c1cc(Cl)cc2Br)C[NH+]1CCCC1 ZINC000534060180 504029130 /nfs/dbraw/zinc/02/91/30/504029130.db2.gz ZXCUESFKRRIDFU-WBMJQRKESA-N 2 1 373.722 3.136 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(Br)c2)C1 ZINC000530627179 504032305 /nfs/dbraw/zinc/03/23/05/504032305.db2.gz JPPWYQFTVQHFAQ-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(Br)c2)C1 ZINC000530627179 504032309 /nfs/dbraw/zinc/03/23/09/504032309.db2.gz JPPWYQFTVQHFAQ-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)CC1 ZINC000528008032 504036472 /nfs/dbraw/zinc/03/64/72/504036472.db2.gz WCQDPTMGQFOKIL-MAODMQOUSA-N 2 1 355.526 3.446 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146440 504090698 /nfs/dbraw/zinc/09/06/98/504090698.db2.gz ACVZEHILZHBQMI-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000528146440 504090706 /nfs/dbraw/zinc/09/07/06/504090706.db2.gz ACVZEHILZHBQMI-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000528146440 504090711 /nfs/dbraw/zinc/09/07/11/504090711.db2.gz ACVZEHILZHBQMI-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CSCc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)ccc1F ZINC000530831367 504100303 /nfs/dbraw/zinc/10/03/03/504100303.db2.gz RINSAYGVUPNGDU-UHFFFAOYSA-N 2 1 374.485 3.088 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544358046 504101079 /nfs/dbraw/zinc/10/10/79/504101079.db2.gz JAHKEUUDLLWWPV-JOCHJYFZSA-N 2 1 370.516 3.173 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000530905128 504124427 /nfs/dbraw/zinc/12/44/27/504124427.db2.gz BHZNYOGLAQVUND-YZGWKJHDSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000530905128 504124429 /nfs/dbraw/zinc/12/44/29/504124429.db2.gz BHZNYOGLAQVUND-YZGWKJHDSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000530905128 504124431 /nfs/dbraw/zinc/12/44/31/504124431.db2.gz BHZNYOGLAQVUND-YZGWKJHDSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000530905128 504124433 /nfs/dbraw/zinc/12/44/33/504124433.db2.gz BHZNYOGLAQVUND-YZGWKJHDSA-N 2 1 362.558 3.447 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544419605 504125875 /nfs/dbraw/zinc/12/58/75/504125875.db2.gz KBUSGLRJEARAOP-GHTZIAJQSA-N 2 1 371.569 3.450 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419605 504125883 /nfs/dbraw/zinc/12/58/83/504125883.db2.gz KBUSGLRJEARAOP-GHTZIAJQSA-N 2 1 371.569 3.450 20 0 FGADMP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541433329 504127746 /nfs/dbraw/zinc/12/77/46/504127746.db2.gz DJLSJUTUDUMLGS-ROUUACIJSA-N 2 1 358.530 3.046 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000538216926 504165913 /nfs/dbraw/zinc/16/59/13/504165913.db2.gz WKDPVXOTJOPWSB-FGZHOGPDSA-N 2 1 354.469 3.430 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000538216926 504165921 /nfs/dbraw/zinc/16/59/21/504165921.db2.gz WKDPVXOTJOPWSB-FGZHOGPDSA-N 2 1 354.469 3.430 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555686 504172363 /nfs/dbraw/zinc/17/23/63/504172363.db2.gz JQWZYZFIDOAEHR-KNQAVFIVSA-N 2 1 371.569 3.178 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000544598821 504186759 /nfs/dbraw/zinc/18/67/59/504186759.db2.gz YDCTXIJSRPUKSJ-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000538304468 504198112 /nfs/dbraw/zinc/19/81/12/504198112.db2.gz IBMVRSRBVNOISN-FQEVSTJZSA-N 2 1 356.514 3.020 20 0 FGADMP c1ccc(CC[NH+]2CCC(Nc3cc[nH+]c(N4CCCCC4)n3)CC2)cc1 ZINC000544679946 504214771 /nfs/dbraw/zinc/21/47/71/504214771.db2.gz QGLITOKQNPWPDY-UHFFFAOYSA-N 2 1 365.525 3.008 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000534798739 504244886 /nfs/dbraw/zinc/24/48/86/504244886.db2.gz VHWITVMWAJJHDD-MHTWAQMVSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)c1ccccc1 ZINC000534798739 504244892 /nfs/dbraw/zinc/24/48/92/504244892.db2.gz VHWITVMWAJJHDD-MHTWAQMVSA-N 2 1 358.526 3.243 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600730 504269566 /nfs/dbraw/zinc/26/95/66/504269566.db2.gz PPFMTCCLKOTYNL-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600730 504269567 /nfs/dbraw/zinc/26/95/67/504269567.db2.gz PPFMTCCLKOTYNL-AZUAARDMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378467 504285870 /nfs/dbraw/zinc/28/58/70/504285870.db2.gz NZIIFSAFXZCOGL-HOJAQTOUSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378467 504285874 /nfs/dbraw/zinc/28/58/74/504285874.db2.gz NZIIFSAFXZCOGL-HOJAQTOUSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378467 504285879 /nfs/dbraw/zinc/28/58/79/504285879.db2.gz NZIIFSAFXZCOGL-HOJAQTOUSA-N 2 1 356.510 3.384 20 0 FGADMP C[N@@H+](CCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000548061072 504315615 /nfs/dbraw/zinc/31/56/15/504315615.db2.gz YBGSJROFIBYKOO-UHFFFAOYSA-N 2 1 361.530 3.357 20 0 FGADMP c1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000535086520 504339551 /nfs/dbraw/zinc/33/95/51/504339551.db2.gz AYLDFBVSTQGSBA-FPOVZHCZSA-N 2 1 358.526 3.389 20 0 FGADMP COc1cccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1OC(F)F ZINC000538752158 504358864 /nfs/dbraw/zinc/35/88/64/504358864.db2.gz MNVVLJLTQIVMIX-HNNXBMFYSA-N 2 1 354.441 3.460 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000548190275 504364761 /nfs/dbraw/zinc/36/47/61/504364761.db2.gz SMSQAVFWECTAGC-UHFFFAOYSA-N 2 1 350.869 3.009 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000545247226 504415080 /nfs/dbraw/zinc/41/50/80/504415080.db2.gz YPGZWWFULAQDTI-QGZVFWFLSA-N 2 1 371.525 3.305 20 0 FGADMP COc1ccc([C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C2CC2)cn1 ZINC000528855285 504418315 /nfs/dbraw/zinc/41/83/15/504418315.db2.gz ZAZXRNTZIZJKQZ-JOCHJYFZSA-N 2 1 367.493 3.163 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000545305710 504436669 /nfs/dbraw/zinc/43/66/69/504436669.db2.gz PHDRZGHYUZLFFJ-NRFANRHFSA-N 2 1 368.525 3.181 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226422 504440425 /nfs/dbraw/zinc/44/04/25/504440425.db2.gz QNPKFIPBRAHSMT-WOJBJXKFSA-N 2 1 355.526 3.133 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@@H](c2ccc(F)cc2)c2cccnc2)C[C@@H](C)O1 ZINC000542479314 504506522 /nfs/dbraw/zinc/50/65/22/504506522.db2.gz UBYANKSUJGKNPZ-LZJOCLMNSA-N 2 1 357.473 3.399 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299126 504523314 /nfs/dbraw/zinc/52/33/14/504523314.db2.gz WDKZZTJQGYKIHJ-CEXWTWQISA-N 2 1 368.525 3.337 20 0 FGADMP CC(C)[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCC1 ZINC000520619812 504543112 /nfs/dbraw/zinc/54/31/12/504543112.db2.gz AAMSERGORDPHSX-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(OC)c1OC ZINC000535811994 504553193 /nfs/dbraw/zinc/55/31/93/504553193.db2.gz XMMRYLLPSXJDFO-UHFFFAOYSA-N 2 1 350.503 3.265 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C3CC3)C3CCCC3)CC2)cc1 ZINC000539450596 504576000 /nfs/dbraw/zinc/57/60/00/504576000.db2.gz REJFBXQOJGRRJO-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C3CC3)C3CCCC3)CC2)cc1 ZINC000539450596 504576006 /nfs/dbraw/zinc/57/60/06/504576006.db2.gz REJFBXQOJGRRJO-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C3CC3)C3CCCC3)CC2)cc1 ZINC000539450596 504576010 /nfs/dbraw/zinc/57/60/10/504576010.db2.gz REJFBXQOJGRRJO-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235627 504582251 /nfs/dbraw/zinc/58/22/51/504582251.db2.gz IEQKLGUHXLSUIK-AVRDEDQJSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235630 504582466 /nfs/dbraw/zinc/58/24/66/504582466.db2.gz IEQKLGUHXLSUIK-XMSQKQJNSA-N 2 1 350.506 3.017 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000520797694 504584011 /nfs/dbraw/zinc/58/40/11/504584011.db2.gz IXAGRNYDHYXIPW-ZWKOTPCHSA-N 2 1 368.949 3.490 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000520793173 504584346 /nfs/dbraw/zinc/58/43/46/504584346.db2.gz QXNAGIBGHJOQKW-IBGZPJMESA-N 2 1 359.558 3.444 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C12CCC2 ZINC000539500231 504591189 /nfs/dbraw/zinc/59/11/89/504591189.db2.gz VIRXHMHIQJEIFW-FGZHOGPDSA-N 2 1 371.569 3.261 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC000520931417 504611558 /nfs/dbraw/zinc/61/15/58/504611558.db2.gz DKCWMXAZHYHFDK-KRWDZBQOSA-N 2 1 351.466 3.105 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000542811930 504620143 /nfs/dbraw/zinc/62/01/43/504620143.db2.gz XFFKQRJHOQREDF-NMIHRBCNSA-N 2 1 366.505 3.229 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000542811930 504620148 /nfs/dbraw/zinc/62/01/48/504620148.db2.gz XFFKQRJHOQREDF-NMIHRBCNSA-N 2 1 366.505 3.229 20 0 FGADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000542846674 504632651 /nfs/dbraw/zinc/63/26/51/504632651.db2.gz NRQBWLCJWKHKGP-QGZVFWFLSA-N 2 1 367.493 3.328 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000521233522 504688785 /nfs/dbraw/zinc/68/87/85/504688785.db2.gz QKKRSRJKTSHWOC-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532568379 504695001 /nfs/dbraw/zinc/69/50/01/504695001.db2.gz KTPGLTKWHKAGOZ-KTKXKACQSA-N 2 1 362.558 3.205 20 0 FGADMP COCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)o1 ZINC000539823302 504705042 /nfs/dbraw/zinc/70/50/42/504705042.db2.gz ZUIKDEHXPKIUPS-UHFFFAOYSA-N 2 1 363.546 3.054 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000539852510 504717676 /nfs/dbraw/zinc/71/76/76/504717676.db2.gz TVPVKAYHTHSVPZ-PZJWPPBQSA-N 2 1 357.542 3.077 20 0 FGADMP O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000546163978 504730882 /nfs/dbraw/zinc/73/08/82/504730882.db2.gz UWECTDPGXUTHOZ-UXHICEINSA-N 2 1 359.901 3.065 20 0 FGADMP C[C@H]([NH2+]C1CCN(CC(F)F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000543115649 504731200 /nfs/dbraw/zinc/73/12/00/504731200.db2.gz VDSXHTYBMIPNDU-FUHWJXTLSA-N 2 1 351.485 3.216 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895586 504732958 /nfs/dbraw/zinc/73/29/58/504732958.db2.gz FBWWEMAMNUSEFI-YPAWHYETSA-N 2 1 351.494 3.432 20 0 FGADMP C[C@H](C1CC1)[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000521427226 504734767 /nfs/dbraw/zinc/73/47/67/504734767.db2.gz HWFOFGDFQSBWKK-ZWKOTPCHSA-N 2 1 355.526 3.155 20 0 FGADMP C[C@H](C1CC1)[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C1CC1 ZINC000521427226 504734770 /nfs/dbraw/zinc/73/47/70/504734770.db2.gz HWFOFGDFQSBWKK-ZWKOTPCHSA-N 2 1 355.526 3.155 20 0 FGADMP CN(CC[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000536454925 504738434 /nfs/dbraw/zinc/73/84/34/504738434.db2.gz XNVWNJDLJDPBCJ-UHFFFAOYSA-N 2 1 374.356 3.330 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000521487102 504745963 /nfs/dbraw/zinc/74/59/63/504745963.db2.gz VYXGAMJWPXZMHF-PMACEKPBSA-N 2 1 369.509 3.443 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC1)CC1CC1 ZINC000540010159 504759015 /nfs/dbraw/zinc/75/90/15/504759015.db2.gz XJJZCIDFCBAWOW-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1)CC1CC1 ZINC000540010159 504759019 /nfs/dbraw/zinc/75/90/19/504759019.db2.gz XJJZCIDFCBAWOW-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CC1)CC1CC1 ZINC000540010159 504759021 /nfs/dbraw/zinc/75/90/21/504759021.db2.gz XJJZCIDFCBAWOW-QGZVFWFLSA-N 2 1 364.578 3.013 20 0 FGADMP COc1cccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)[NH+]2CCCC2)c1 ZINC000559260741 504811275 /nfs/dbraw/zinc/81/12/75/504811275.db2.gz APMAIRCJLTYXPB-WIYYLYMNSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234660 504824791 /nfs/dbraw/zinc/82/47/91/504824791.db2.gz WLKZSPBRQKQNDA-ROUUACIJSA-N 2 1 355.530 3.423 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559337340 504838562 /nfs/dbraw/zinc/83/85/62/504838562.db2.gz UCHXLMJCQHVXHR-FCEUIQTBSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337340 504838566 /nfs/dbraw/zinc/83/85/66/504838566.db2.gz UCHXLMJCQHVXHR-FCEUIQTBSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337340 504838568 /nfs/dbraw/zinc/83/85/68/504838568.db2.gz UCHXLMJCQHVXHR-FCEUIQTBSA-N 2 1 369.553 3.372 20 0 FGADMP CC(C[NH+]1CCC[C@@](CO)(C(C)C)C1)C[N@H+]1CCC[C@@](CO)(C(C)C)C1 ZINC000559424516 504859000 /nfs/dbraw/zinc/85/90/00/504859000.db2.gz IXUIAZMPPRXKHY-FGZHOGPDSA-N 2 1 368.606 3.084 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750990 504888369 /nfs/dbraw/zinc/88/83/69/504888369.db2.gz PRLICOOXNFHFDP-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549750990 504888372 /nfs/dbraw/zinc/88/83/72/504888372.db2.gz PRLICOOXNFHFDP-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549750990 504888375 /nfs/dbraw/zinc/88/83/75/504888375.db2.gz PRLICOOXNFHFDP-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497883 504889012 /nfs/dbraw/zinc/88/90/12/504889012.db2.gz QJBHFRYFEJMOPP-BAGYTPMASA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497883 504889014 /nfs/dbraw/zinc/88/90/14/504889014.db2.gz QJBHFRYFEJMOPP-BAGYTPMASA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497883 504889017 /nfs/dbraw/zinc/88/90/17/504889017.db2.gz QJBHFRYFEJMOPP-BAGYTPMASA-N 2 1 359.558 3.082 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351285 504890711 /nfs/dbraw/zinc/89/07/11/504890711.db2.gz HJXXDBHOESASQK-CTNGQTDRSA-N 2 1 369.484 3.067 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1)C1CC1 ZINC000553434939 504914506 /nfs/dbraw/zinc/91/45/06/504914506.db2.gz XQMNEBYVDZEOLY-DYESRHJHSA-N 2 1 355.526 3.370 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000565536207 504916257 /nfs/dbraw/zinc/91/62/57/504916257.db2.gz YCQXNADRLBJLEZ-GHTZIAJQSA-N 2 1 356.510 3.290 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559741632 504919813 /nfs/dbraw/zinc/91/98/13/504919813.db2.gz NHFPNVGHLRGLCC-LEWJYISDSA-N 2 1 351.494 3.361 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559741632 504919820 /nfs/dbraw/zinc/91/98/20/504919820.db2.gz NHFPNVGHLRGLCC-LEWJYISDSA-N 2 1 351.494 3.361 20 0 FGADMP Cc1ncccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549881828 504924038 /nfs/dbraw/zinc/92/40/38/504924038.db2.gz AJBQZJUGUFUXME-JOCHJYFZSA-N 2 1 365.521 3.408 20 0 FGADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000559896619 504946816 /nfs/dbraw/zinc/94/68/16/504946816.db2.gz VSQNTSUCPFFDCD-UEXGIBASSA-N 2 1 355.530 3.324 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000550138716 504975454 /nfs/dbraw/zinc/97/54/54/504975454.db2.gz BFAMXLKZKGPSJE-OAQYLSRUSA-N 2 1 369.509 3.476 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCc1nc(-c3cccc(Cl)c3)no1)CC[NH2+]CC2 ZINC000562970037 505004646 /nfs/dbraw/zinc/00/46/46/505004646.db2.gz RXPXSRPBVYVNTJ-AWEZNQCLSA-N 2 1 360.889 3.397 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262721 505005780 /nfs/dbraw/zinc/00/57/80/505005780.db2.gz PJDAQYZMUNIPAX-GIVPXCGWSA-N 2 1 358.526 3.072 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@H]2CCC[C@H]21 ZINC000556885979 505006620 /nfs/dbraw/zinc/00/66/20/505006620.db2.gz ROEHMXZOUOCSRN-IXDOHACOSA-N 2 1 360.889 3.395 20 0 FGADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556886234 505006722 /nfs/dbraw/zinc/00/67/22/505006722.db2.gz KDNUJPUOQOXSOO-VAMGGRTRSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000553782444 505008154 /nfs/dbraw/zinc/00/81/54/505008154.db2.gz XFMAFNCAFWHTGC-DWLFOUALSA-N 2 1 371.569 3.491 20 0 FGADMP COc1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c(F)c1 ZINC000565955796 505038078 /nfs/dbraw/zinc/03/80/78/505038078.db2.gz UDXKBFUOOWYRQN-UHFFFAOYSA-N 2 1 361.461 3.441 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615100 505073916 /nfs/dbraw/zinc/07/39/16/505073916.db2.gz DTRXCQAPYBHGJE-FCHUYYIVSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@@H]1c1ccccc1 ZINC000550615100 505073921 /nfs/dbraw/zinc/07/39/21/505073921.db2.gz DTRXCQAPYBHGJE-FCHUYYIVSA-N 2 1 361.493 3.252 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550623735 505075814 /nfs/dbraw/zinc/07/58/14/505075814.db2.gz ZHJRWPOMMHICIS-SFTDATJTSA-N 2 1 351.494 3.150 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000550623735 505075820 /nfs/dbraw/zinc/07/58/20/505075820.db2.gz ZHJRWPOMMHICIS-SFTDATJTSA-N 2 1 351.494 3.150 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H]1c1ccccc1 ZINC000550644635 505078137 /nfs/dbraw/zinc/07/81/37/505078137.db2.gz VWUUUXPWZHQWCO-RTWAWAEBSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@H]1c1ccccc1 ZINC000550644635 505078139 /nfs/dbraw/zinc/07/81/39/505078139.db2.gz VWUUUXPWZHQWCO-RTWAWAEBSA-N 2 1 372.534 3.156 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566106732 505083152 /nfs/dbraw/zinc/08/31/52/505083152.db2.gz YGVJTEJRVQFWAO-OAQYLSRUSA-N 2 1 365.477 3.278 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)C[C@@H]1c1ccccc1 ZINC000550678520 505083652 /nfs/dbraw/zinc/08/36/52/505083652.db2.gz HKNYSYWPIMENOA-CMKODMSKSA-N 2 1 354.473 3.225 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)C[C@@H]1c1ccccc1 ZINC000550678520 505083655 /nfs/dbraw/zinc/08/36/55/505083655.db2.gz HKNYSYWPIMENOA-CMKODMSKSA-N 2 1 354.473 3.225 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)s1 ZINC000560482886 505099770 /nfs/dbraw/zinc/09/97/70/505099770.db2.gz BQQWOTQIVSNVTJ-SZMVWBNQSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)s1 ZINC000560482886 505099772 /nfs/dbraw/zinc/09/97/72/505099772.db2.gz BQQWOTQIVSNVTJ-SZMVWBNQSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)s1 ZINC000560482886 505099776 /nfs/dbraw/zinc/09/97/76/505099776.db2.gz BQQWOTQIVSNVTJ-SZMVWBNQSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795607 505102480 /nfs/dbraw/zinc/10/24/80/505102480.db2.gz HZBKYTBDDLSNLB-PCCBWWKXSA-N 2 1 367.541 3.122 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795607 505102485 /nfs/dbraw/zinc/10/24/85/505102485.db2.gz HZBKYTBDDLSNLB-PCCBWWKXSA-N 2 1 367.541 3.122 20 0 FGADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000566208360 505112014 /nfs/dbraw/zinc/11/20/14/505112014.db2.gz OPPXTJWFZBFFQT-SFTDATJTSA-N 2 1 369.553 3.278 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000560525937 505114886 /nfs/dbraw/zinc/11/48/86/505114886.db2.gz BGNXSYNLMYNZNP-MLHJIOFPSA-N 2 1 363.933 3.390 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 ZINC000550860267 505115658 /nfs/dbraw/zinc/11/56/58/505115658.db2.gz HULDJXDRHAUBLP-OXJNMPFZSA-N 2 1 361.505 3.342 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H]2CCC[C@H]21 ZINC000560530247 505116428 /nfs/dbraw/zinc/11/64/28/505116428.db2.gz PGQIAXOUHYTHJY-LQKXBSAESA-N 2 1 373.324 3.196 20 0 FGADMP FC(F)Cn1cc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533576 505116897 /nfs/dbraw/zinc/11/68/97/505116897.db2.gz QQQHLJSBYNUBDZ-OALUTQOASA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533576 505116904 /nfs/dbraw/zinc/11/69/04/505116904.db2.gz QQQHLJSBYNUBDZ-OALUTQOASA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533576 505116907 /nfs/dbraw/zinc/11/69/07/505116907.db2.gz QQQHLJSBYNUBDZ-OALUTQOASA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533576 505116913 /nfs/dbraw/zinc/11/69/13/505116913.db2.gz QQQHLJSBYNUBDZ-OALUTQOASA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533576 505116917 /nfs/dbraw/zinc/11/69/17/505116917.db2.gz QQQHLJSBYNUBDZ-OALUTQOASA-N 2 1 360.452 3.102 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000550886559 505120255 /nfs/dbraw/zinc/12/02/55/505120255.db2.gz HMCFIZLOOWAUDF-ZWKOTPCHSA-N 2 1 355.530 3.423 20 0 FGADMP CC(C)[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N1CCOCC1 ZINC000550892129 505121257 /nfs/dbraw/zinc/12/12/57/505121257.db2.gz PBGNISTYJVCOFB-VNXZQDSDSA-N 2 1 373.585 3.376 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@H]21 ZINC000566244375 505121277 /nfs/dbraw/zinc/12/12/77/505121277.db2.gz UWRPCEAHAMJTFC-CEMLEFRQSA-N 2 1 363.505 3.279 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)c3ccccc3)C[C@H]21 ZINC000566244375 505121281 /nfs/dbraw/zinc/12/12/81/505121281.db2.gz UWRPCEAHAMJTFC-CEMLEFRQSA-N 2 1 363.505 3.279 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000566244450 505121404 /nfs/dbraw/zinc/12/14/04/505121404.db2.gz UXXUSAXJGKEFRT-BQFCYCMXSA-N 2 1 358.461 3.176 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccs1 ZINC000566245232 505121449 /nfs/dbraw/zinc/12/14/49/505121449.db2.gz MUKZUZBULPJOEF-GPMSIDNRSA-N 2 1 363.571 3.273 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566250858 505123491 /nfs/dbraw/zinc/12/34/91/505123491.db2.gz FLVILTNWUGKQSL-WMLDXEAASA-N 2 1 369.912 3.353 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000554301363 505139970 /nfs/dbraw/zinc/13/99/70/505139970.db2.gz FEOMGBFDJQOGCJ-DYESRHJHSA-N 2 1 351.494 3.235 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000561075300 505244612 /nfs/dbraw/zinc/24/46/12/505244612.db2.gz HYTBQAAOHPXDSJ-UHFFFAOYSA-N 2 1 365.521 3.057 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)CC2 ZINC000561206381 505280193 /nfs/dbraw/zinc/28/01/93/505280193.db2.gz QQMAUZBJKGXIQS-FPOVZHCZSA-N 2 1 366.509 3.016 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008594 505301378 /nfs/dbraw/zinc/30/13/78/505301378.db2.gz LHVXGOAAGFURFM-UGKGYDQZSA-N 2 1 370.541 3.158 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309544 505310865 /nfs/dbraw/zinc/31/08/65/505310865.db2.gz NOEQJZYPYRCIIV-FKBYEOEOSA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309544 505310867 /nfs/dbraw/zinc/31/08/67/505310867.db2.gz NOEQJZYPYRCIIV-FKBYEOEOSA-N 2 1 363.505 3.070 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1c1ccccc1 ZINC000561309544 505310871 /nfs/dbraw/zinc/31/08/71/505310871.db2.gz NOEQJZYPYRCIIV-FKBYEOEOSA-N 2 1 363.505 3.070 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813596 505316473 /nfs/dbraw/zinc/31/64/73/505316473.db2.gz NFTPSWNGVJEREW-YADHBBJMSA-N 2 1 357.542 3.360 20 0 FGADMP C[NH+]1CCN(C(=O)C2CC[NH+](CCc3ccc(C(C)(C)C)cc3)CC2)CC1 ZINC000567015643 505339506 /nfs/dbraw/zinc/33/95/06/505339506.db2.gz WXRASMNOGSNBRF-UHFFFAOYSA-N 2 1 371.569 3.013 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294121 505374572 /nfs/dbraw/zinc/37/45/72/505374572.db2.gz WMQOGSIDKWGYOH-PKOBYXMFSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294121 505374576 /nfs/dbraw/zinc/37/45/76/505374576.db2.gz WMQOGSIDKWGYOH-PKOBYXMFSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294121 505374579 /nfs/dbraw/zinc/37/45/79/505374579.db2.gz WMQOGSIDKWGYOH-PKOBYXMFSA-N 2 1 352.544 3.353 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](C)C(C)C ZINC000564315659 505381231 /nfs/dbraw/zinc/38/12/31/505381231.db2.gz PYFNXCQFCJUCEJ-FPOVZHCZSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000564315659 505381235 /nfs/dbraw/zinc/38/12/35/505381235.db2.gz PYFNXCQFCJUCEJ-FPOVZHCZSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000564315659 505381241 /nfs/dbraw/zinc/38/12/41/505381241.db2.gz PYFNXCQFCJUCEJ-FPOVZHCZSA-N 2 1 374.573 3.269 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552053981 505384066 /nfs/dbraw/zinc/38/40/66/505384066.db2.gz DMJFXZJOBZTTLU-MXEMCNAFSA-N 2 1 359.583 3.066 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000567232249 505403443 /nfs/dbraw/zinc/40/34/43/505403443.db2.gz KDINXXCNNGBNMD-ZTRFORPCSA-N 2 1 359.514 3.142 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000567242392 505406067 /nfs/dbraw/zinc/40/60/67/505406067.db2.gz SXXRFTVFTBMWLU-QYZOEREBSA-N 2 1 358.530 3.217 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564570866 505456685 /nfs/dbraw/zinc/45/66/85/505456685.db2.gz OIXRPKNNICOSRM-HXUWFJFHSA-N 2 1 360.452 3.343 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000564570866 505456687 /nfs/dbraw/zinc/45/66/87/505456687.db2.gz OIXRPKNNICOSRM-HXUWFJFHSA-N 2 1 360.452 3.343 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC(F)F ZINC000561974719 505482412 /nfs/dbraw/zinc/48/24/12/505482412.db2.gz DFGKNHJYEXLOEQ-MRXNPFEDSA-N 2 1 354.441 3.460 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@H]2CCC[C@@H]21 ZINC000567532279 505490379 /nfs/dbraw/zinc/49/03/79/505490379.db2.gz RQSDHJFKDXVQJS-DYXWJJEUSA-N 2 1 364.493 3.296 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000562034200 505497577 /nfs/dbraw/zinc/49/75/77/505497577.db2.gz RIOFWWMDFKFYGF-UXHICEINSA-N 2 1 369.509 3.443 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)c2ccccc21 ZINC000564825634 505530604 /nfs/dbraw/zinc/53/06/04/505530604.db2.gz YYQNUURBNUOVAS-NJDAHSKKSA-N 2 1 371.912 3.448 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000567678579 505532888 /nfs/dbraw/zinc/53/28/88/505532888.db2.gz WOJSZYSZXZHJQO-XLIONFOSSA-N 2 1 372.557 3.116 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000567688609 505537928 /nfs/dbraw/zinc/53/79/28/505537928.db2.gz USVCMMURNLCHKO-SJORKVTESA-N 2 1 354.922 3.037 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562240398 505549617 /nfs/dbraw/zinc/54/96/17/505549617.db2.gz DEDNJFKWIZORMR-FPOVZHCZSA-N 2 1 374.573 3.318 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000564973749 505564788 /nfs/dbraw/zinc/56/47/88/505564788.db2.gz RMNQLVGWZUHXMJ-HDICACEKSA-N 2 1 367.493 3.101 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813921 505565227 /nfs/dbraw/zinc/56/52/27/505565227.db2.gz UBBLCZIZDSFZOE-ZJOUEHCJSA-N 2 1 373.516 3.028 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813921 505565229 /nfs/dbraw/zinc/56/52/29/505565229.db2.gz UBBLCZIZDSFZOE-ZJOUEHCJSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000564987738 505565842 /nfs/dbraw/zinc/56/58/42/505565842.db2.gz HWXLQXUEUYWYHN-OPXVNJCFSA-N 2 1 365.521 3.465 20 0 FGADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000599301437 506403251 /nfs/dbraw/zinc/40/32/51/506403251.db2.gz YCLJTMGPEFIXTR-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000599301437 506403256 /nfs/dbraw/zinc/40/32/56/506403256.db2.gz YCLJTMGPEFIXTR-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000582860929 506459345 /nfs/dbraw/zinc/45/93/45/506459345.db2.gz NCSATCJNKBHPBR-RBBKRZOGSA-N 2 1 352.478 3.126 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC000612192995 506477295 /nfs/dbraw/zinc/47/72/95/506477295.db2.gz NEMIRZVSIRILNU-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000589209790 506484359 /nfs/dbraw/zinc/48/43/59/506484359.db2.gz XCVPSVSJUDHETG-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000589209790 506484365 /nfs/dbraw/zinc/48/43/65/506484365.db2.gz XCVPSVSJUDHETG-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000589209790 506484369 /nfs/dbraw/zinc/48/43/69/506484369.db2.gz XCVPSVSJUDHETG-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)cc1 ZINC000596651508 506511501 /nfs/dbraw/zinc/51/15/01/506511501.db2.gz VBNILCCAKKLRPI-VYLCYAPGSA-N 2 1 374.525 3.098 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-n2ccnc2)ncn1 ZINC000608368776 506530755 /nfs/dbraw/zinc/53/07/55/506530755.db2.gz UBNIXZQAPSIDFU-IBGZPJMESA-N 2 1 362.481 3.011 20 0 FGADMP C(CC[N@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000583060961 506567077 /nfs/dbraw/zinc/56/70/77/506567077.db2.gz GKMXZQJBLLLROP-VXKWHMMOSA-N 2 1 364.574 3.264 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656143 506651689 /nfs/dbraw/zinc/65/16/89/506651689.db2.gz LDLOTPAVIKWRCN-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608691523 506667702 /nfs/dbraw/zinc/66/77/02/506667702.db2.gz DTBSWKCIDJQGKZ-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608691523 506667706 /nfs/dbraw/zinc/66/77/06/506667706.db2.gz DTBSWKCIDJQGKZ-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)N(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000589998789 506701796 /nfs/dbraw/zinc/70/17/96/506701796.db2.gz PFLLNGCCAFTOSJ-UHFFFAOYSA-N 2 1 359.558 3.476 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000604116671 506719967 /nfs/dbraw/zinc/71/99/67/506719967.db2.gz XRPKYRZFFFTRMP-NRFANRHFSA-N 2 1 372.557 3.263 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000583343845 506728000 /nfs/dbraw/zinc/72/80/00/506728000.db2.gz MFYJMPGLYPTWKX-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C1 ZINC000583343845 506728006 /nfs/dbraw/zinc/72/80/06/506728006.db2.gz MFYJMPGLYPTWKX-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000583343845 506728009 /nfs/dbraw/zinc/72/80/09/506728009.db2.gz MFYJMPGLYPTWKX-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000583348832 506729750 /nfs/dbraw/zinc/72/97/50/506729750.db2.gz HDIGZCMBQWLPKC-HUUCEWRRSA-N 2 1 367.921 3.386 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179912 506739579 /nfs/dbraw/zinc/73/95/79/506739579.db2.gz WNRQPIUSSRDSGZ-PZJWPPBQSA-N 2 1 372.557 3.245 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604189275 506743019 /nfs/dbraw/zinc/74/30/19/506743019.db2.gz XNQVDVMIHDWUHH-ICSRJNTNSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962689 506840128 /nfs/dbraw/zinc/84/01/28/506840128.db2.gz ISZPSSSXRDNGOZ-XLIONFOSSA-N 2 1 370.541 3.002 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000583597297 506868071 /nfs/dbraw/zinc/86/80/71/506868071.db2.gz CZAZMNLXPKUFPG-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000583597297 506868077 /nfs/dbraw/zinc/86/80/77/506868077.db2.gz CZAZMNLXPKUFPG-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000583597297 506868083 /nfs/dbraw/zinc/86/80/83/506868083.db2.gz CZAZMNLXPKUFPG-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604782088 506941093 /nfs/dbraw/zinc/94/10/93/506941093.db2.gz FPXVZMWLHQCZNY-HOJAQTOUSA-N 2 1 374.573 3.488 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786946 506957537 /nfs/dbraw/zinc/95/75/37/506957537.db2.gz ZGRCTOXXJADFJL-OAQYLSRUSA-N 2 1 362.558 3.404 20 0 FGADMP C[NH+]1CCC2(CCCN2C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000613190744 506960452 /nfs/dbraw/zinc/96/04/52/506960452.db2.gz JIZYVHLRRIDWFC-OAQYLSRUSA-N 2 1 369.553 3.028 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000590819032 506980017 /nfs/dbraw/zinc/98/00/17/506980017.db2.gz UUZVCZBAJHVKEO-LJQANCHMSA-N 2 1 368.949 3.270 20 0 FGADMP CC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000604998873 507026483 /nfs/dbraw/zinc/02/64/83/507026483.db2.gz JWHXQNVAQSETEL-LJQANCHMSA-N 2 1 357.542 3.411 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000600636048 507042632 /nfs/dbraw/zinc/04/26/32/507042632.db2.gz RDOGNASRSZXLPK-LJQANCHMSA-N 2 1 363.933 3.498 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000600636048 507042638 /nfs/dbraw/zinc/04/26/38/507042638.db2.gz RDOGNASRSZXLPK-LJQANCHMSA-N 2 1 363.933 3.498 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000583920677 507051206 /nfs/dbraw/zinc/05/12/06/507051206.db2.gz XNUZMVHHNUEFTQ-QWFCFKBJSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584002340 507098022 /nfs/dbraw/zinc/09/80/22/507098022.db2.gz VIZLGLQRLYUPPL-RDTXWAMCSA-N 2 1 351.922 3.131 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584061975 507132446 /nfs/dbraw/zinc/13/24/46/507132446.db2.gz AMJJBUANNYCXNJ-FQEVSTJZSA-N 2 1 369.509 3.082 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584061975 507132450 /nfs/dbraw/zinc/13/24/50/507132450.db2.gz AMJJBUANNYCXNJ-FQEVSTJZSA-N 2 1 369.509 3.082 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584061975 507132453 /nfs/dbraw/zinc/13/24/53/507132453.db2.gz AMJJBUANNYCXNJ-FQEVSTJZSA-N 2 1 369.509 3.082 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000600839462 507143728 /nfs/dbraw/zinc/14/37/28/507143728.db2.gz NRMKGGNUGVCIQW-LJQANCHMSA-N 2 1 374.573 3.461 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887427 507162313 /nfs/dbraw/zinc/16/23/13/507162313.db2.gz KIOWWDJOXJGVEP-ICSRJNTNSA-N 2 1 374.573 3.489 20 0 FGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000584188200 507201031 /nfs/dbraw/zinc/20/10/31/507201031.db2.gz SKUJOICQCSJSII-QVNZYJNBSA-N 2 1 362.583 3.424 20 0 FGADMP CCN(C)c1ccc(CNc2ccc(Cl)c(CN(C)CCO)c2)cn1 ZINC000584254106 507236956 /nfs/dbraw/zinc/23/69/56/507236956.db2.gz BIXRWKFNZZNEIM-UHFFFAOYSA-N 2 1 362.905 3.227 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000591548841 507287958 /nfs/dbraw/zinc/28/79/58/507287958.db2.gz SKVKIBXPHHZYEJ-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000591559094 507291384 /nfs/dbraw/zinc/29/13/84/507291384.db2.gz GZAULUWIKRKENY-AQNXPRMDSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000591559431 507292626 /nfs/dbraw/zinc/29/26/26/507292626.db2.gz NGGUYVFQIUUPFK-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000591559431 507292627 /nfs/dbraw/zinc/29/26/27/507292627.db2.gz NGGUYVFQIUUPFK-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000591559431 507292631 /nfs/dbraw/zinc/29/26/31/507292631.db2.gz NGGUYVFQIUUPFK-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP C(=C\C[N@@H+]1CCOc2ccccc2C1)\CN1CCOc2ccccc2C1 ZINC000614026751 507338009 /nfs/dbraw/zinc/33/80/09/507338009.db2.gz ZKGUADRMJCHTKA-WAYWQWQTSA-N 2 1 350.462 3.332 20 0 FGADMP C(=C\C[N@H+]1CCOc2ccccc2C1)\CN1CCOc2ccccc2C1 ZINC000614026751 507338019 /nfs/dbraw/zinc/33/80/19/507338019.db2.gz ZKGUADRMJCHTKA-WAYWQWQTSA-N 2 1 350.462 3.332 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC[NH+](C)CC1 ZINC000584559565 507409931 /nfs/dbraw/zinc/40/99/31/507409931.db2.gz WUCYGKZMVCHUOG-QHAWAJNXSA-N 3 1 373.610 3.314 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000606640407 507463185 /nfs/dbraw/zinc/46/31/85/507463185.db2.gz XVNFQAZEKNRLRP-LJQANCHMSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000606640407 507463190 /nfs/dbraw/zinc/46/31/90/507463190.db2.gz XVNFQAZEKNRLRP-LJQANCHMSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606640407 507463197 /nfs/dbraw/zinc/46/31/97/507463197.db2.gz XVNFQAZEKNRLRP-LJQANCHMSA-N 2 1 364.578 3.301 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000606659595 507472318 /nfs/dbraw/zinc/47/23/18/507472318.db2.gz OOTBDALOIJVJOW-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584839529 507533531 /nfs/dbraw/zinc/53/35/31/507533531.db2.gz BOJLTXZBEUNCGU-GUYJKWIASA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000584839529 507533535 /nfs/dbraw/zinc/53/35/35/507533535.db2.gz BOJLTXZBEUNCGU-GUYJKWIASA-N 2 1 355.404 3.092 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNc2cc[nH+]c(N(C)C)n2)C1 ZINC000607143538 507629709 /nfs/dbraw/zinc/62/97/09/507629709.db2.gz UTUCACDODAABLS-IAGOWNOFSA-N 2 1 353.514 3.055 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000592506013 507683930 /nfs/dbraw/zinc/68/39/30/507683930.db2.gz DBJPGUKPIGNRHG-KZNAEPCWSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000669125180 568086160 /nfs/dbraw/zinc/08/61/60/568086160.db2.gz XPKPPNZNZSNVFE-OPYAIIAOSA-N 2 1 372.557 3.330 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000037917732 695755599 /nfs/dbraw/zinc/75/55/99/695755599.db2.gz HKYJDQZDRODDLD-YOEHRIQHSA-N 2 1 353.304 3.292 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000120837949 700660989 /nfs/dbraw/zinc/66/09/89/700660989.db2.gz AWZLHKARTGRRSO-QGZVFWFLSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000150829557 704902930 /nfs/dbraw/zinc/90/29/30/704902930.db2.gz YDWGEHNFNRNJTN-ZWKOTPCHSA-N 2 1 351.535 3.051 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192167243 712852534 /nfs/dbraw/zinc/85/25/34/712852534.db2.gz QYZOQSJVKLXUJU-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192665658 712870110 /nfs/dbraw/zinc/87/01/10/712870110.db2.gz AQVXLDVHQZYDNM-ZDUSSCGKSA-N 2 1 360.329 3.377 20 0 FGADMP Cc1ncc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000237854718 713597989 /nfs/dbraw/zinc/59/79/89/713597989.db2.gz AOXZHLYMAMYSPJ-UHFFFAOYSA-N 2 1 358.555 3.139 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000246025564 713615795 /nfs/dbraw/zinc/61/57/95/713615795.db2.gz VKWQSULGWNEMGD-LZLYRXPVSA-N 2 1 351.535 3.238 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252416941 713673065 /nfs/dbraw/zinc/67/30/65/713673065.db2.gz PHMKQTVZZCYKGA-WMLDXEAASA-N 2 1 353.304 3.292 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310591319 713799737 /nfs/dbraw/zinc/79/97/37/713799737.db2.gz GHIFSHHEEWGIGZ-BDXSIMOUSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839817 713813575 /nfs/dbraw/zinc/81/35/75/713813575.db2.gz JMJXLCPMUTYTBE-AJYUKVHDSA-N 2 1 351.535 3.379 20 0 FGADMP Cc1nn2c(C[NH+]3CCC4(C[C@H]4C[N@H+](C)C4CC4)CC3)c(C)nc2s1 ZINC000374285039 713910563 /nfs/dbraw/zinc/91/05/63/713910563.db2.gz XJUONYPGQPWREZ-HNNXBMFYSA-N 2 1 359.543 3.104 20 0 FGADMP Cc1nnc(N2CCC([NH2+]CCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)s1 ZINC000374717408 713940932 /nfs/dbraw/zinc/94/09/32/713940932.db2.gz MTIGOBHXUKUUIP-IYBDPMFKSA-N 2 1 365.591 3.163 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553373 713985209 /nfs/dbraw/zinc/98/52/09/713985209.db2.gz HJZIVWUXYJKCIJ-XWTMOSNGSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cscc2Br)C[C@H](C)O1 ZINC000512037376 714128914 /nfs/dbraw/zinc/12/89/14/714128914.db2.gz GPEAFQBBNYFFFF-BETUJISGSA-N 2 1 361.349 3.490 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1C ZINC000525709047 714370984 /nfs/dbraw/zinc/37/09/84/714370984.db2.gz HWOKTCRGEOWGPK-LRDDRELGSA-N 2 1 351.288 3.297 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@H+]1C ZINC000525709047 714370987 /nfs/dbraw/zinc/37/09/87/714370987.db2.gz HWOKTCRGEOWGPK-LRDDRELGSA-N 2 1 351.288 3.297 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000643064130 718003640 /nfs/dbraw/zinc/00/36/40/718003640.db2.gz MBGCEWUTYLAMJZ-YOEHRIQHSA-N 2 1 365.905 3.141 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000643064129 718003653 /nfs/dbraw/zinc/00/36/53/718003653.db2.gz MBGCEWUTYLAMJZ-WMLDXEAASA-N 2 1 365.905 3.141 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(Cl)c2)CC(C)C)CC1 ZINC000621388564 714987070 /nfs/dbraw/zinc/98/70/70/714987070.db2.gz AZHSNABGJMKPFM-UHFFFAOYSA-N 2 1 365.949 3.399 20 0 FGADMP COc1cc(OC)c(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538600 715357021 /nfs/dbraw/zinc/35/70/21/715357021.db2.gz LDHCCTDVGSACGX-HUUCEWRRSA-N 2 1 350.503 3.106 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574704 715754148 /nfs/dbraw/zinc/75/41/48/715754148.db2.gz WINIRLPHQZUQDU-DNVCBOLYSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574704 715754153 /nfs/dbraw/zinc/75/41/53/715754153.db2.gz WINIRLPHQZUQDU-DNVCBOLYSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(C(F)(F)F)c2)CC1 ZINC000628165066 716119177 /nfs/dbraw/zinc/11/91/77/716119177.db2.gz LLDSDLSYHOLPQW-LBPRGKRZSA-N 2 1 350.450 3.292 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629656214 716329972 /nfs/dbraw/zinc/32/99/72/716329972.db2.gz NBCQEIGMHBMZKA-ZBFHGGJFSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629656214 716329980 /nfs/dbraw/zinc/32/99/80/716329980.db2.gz NBCQEIGMHBMZKA-ZBFHGGJFSA-N 2 1 352.404 3.344 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629654861 716330501 /nfs/dbraw/zinc/33/05/01/716330501.db2.gz IXWDHXPKIZKCJO-CFVMTHIKSA-N 2 1 362.411 3.472 20 0 FGADMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977541 716372819 /nfs/dbraw/zinc/37/28/19/716372819.db2.gz KREKCYXNMNSATK-IFXJQAMLSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977541 716372822 /nfs/dbraw/zinc/37/28/22/716372822.db2.gz KREKCYXNMNSATK-IFXJQAMLSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977541 716372823 /nfs/dbraw/zinc/37/28/23/716372823.db2.gz KREKCYXNMNSATK-IFXJQAMLSA-N 2 1 367.896 3.072 20 0 FGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)c(F)cc1Br ZINC000631044340 716553659 /nfs/dbraw/zinc/55/36/59/716553659.db2.gz OLMFWXHCCSLIEO-UHFFFAOYSA-N 2 1 356.239 3.282 20 0 FGADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3F)C2)CC1 ZINC000631259516 716595544 /nfs/dbraw/zinc/59/55/44/716595544.db2.gz VDMZCOIUYSFPOT-LBPRGKRZSA-N 2 1 374.287 3.031 20 0 FGADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Cl)cc(Cl)c3F)C2)CC1 ZINC000631259516 716595549 /nfs/dbraw/zinc/59/55/49/716595549.db2.gz VDMZCOIUYSFPOT-LBPRGKRZSA-N 2 1 374.287 3.031 20 0 FGADMP [NH3+]C1(Cc2nc(-c3cccs3)no2)CC[NH+](Cc2ccccc2)CC1 ZINC000634554078 717089686 /nfs/dbraw/zinc/08/96/86/717089686.db2.gz OWTYALZACPKRDR-UHFFFAOYSA-N 2 1 354.479 3.334 20 0 FGADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000636101808 717231828 /nfs/dbraw/zinc/23/18/28/717231828.db2.gz QGLGWWHOWCVCDY-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000636101808 717231833 /nfs/dbraw/zinc/23/18/33/717231833.db2.gz QGLGWWHOWCVCDY-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000638770757 717483577 /nfs/dbraw/zinc/48/35/77/717483577.db2.gz GIKBLWMTBFMNIM-KRWDZBQOSA-N 2 1 350.478 3.253 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000645121345 718184498 /nfs/dbraw/zinc/18/44/98/718184498.db2.gz YAAPTQYEWYKARZ-CRAIPNDOSA-N 2 1 366.937 3.068 20 0 FGADMP CCCN(C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000645121345 718184502 /nfs/dbraw/zinc/18/45/02/718184502.db2.gz YAAPTQYEWYKARZ-CRAIPNDOSA-N 2 1 366.937 3.068 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277482 718274644 /nfs/dbraw/zinc/27/46/44/718274644.db2.gz DCMCVDVMIIPHLR-ZRGWGRIASA-N 2 1 367.896 3.120 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277481 718274700 /nfs/dbraw/zinc/27/47/00/718274700.db2.gz DCMCVDVMIIPHLR-VCBZYWHSSA-N 2 1 367.896 3.120 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295116 718275998 /nfs/dbraw/zinc/27/59/98/718275998.db2.gz VVDSNSDVTCTNIF-IXDGSTSKSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295116 718276001 /nfs/dbraw/zinc/27/60/01/718276001.db2.gz VVDSNSDVTCTNIF-IXDGSTSKSA-N 2 1 367.896 3.119 20 0 FGADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646401764 718284087 /nfs/dbraw/zinc/28/40/87/718284087.db2.gz WJWDZZONSCZBSU-DLBZAZTESA-N 2 1 362.543 3.093 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497090 718289312 /nfs/dbraw/zinc/28/93/12/718289312.db2.gz NEZAGLHMTXKLJQ-KRWDZBQOSA-N 2 1 370.324 3.216 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976894 718391239 /nfs/dbraw/zinc/39/12/39/718391239.db2.gz VWOUOOFYKDMNEE-BBWFWOEESA-N 2 1 363.933 3.229 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976896 718391445 /nfs/dbraw/zinc/39/14/45/718391445.db2.gz VWOUOOFYKDMNEE-ULQDDVLXSA-N 2 1 363.933 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3OC(F)(F)F)C2)C1 ZINC000650707129 718717370 /nfs/dbraw/zinc/71/73/70/718717370.db2.gz YVCYYNYUYYRMHR-BFYDXBDKSA-N 2 1 358.404 3.304 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707011 718717390 /nfs/dbraw/zinc/71/73/90/718717390.db2.gz WYIDOZSKZYVYJM-INMHGKMJSA-N 2 1 358.404 3.304 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1SC ZINC000650723673 718721220 /nfs/dbraw/zinc/72/12/20/718721220.db2.gz RPFFIEOXYNZTKP-BBWFWOEESA-N 2 1 350.528 3.278 20 0 FGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724083 718721234 /nfs/dbraw/zinc/72/12/34/718721234.db2.gz YCLNYJRCTANMCT-UXLLHSPISA-N 2 1 368.905 3.218 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)s2)cn1 ZINC000650725336 718721715 /nfs/dbraw/zinc/72/17/15/718721715.db2.gz YPLXBKBLMPJAPE-KBAYOESNSA-N 2 1 360.527 3.009 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000651218229 718783666 /nfs/dbraw/zinc/78/36/66/718783666.db2.gz FRTUQMBISMGUOA-LJQANCHMSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)C1CCCCC1 ZINC000651218229 718783670 /nfs/dbraw/zinc/78/36/70/718783670.db2.gz FRTUQMBISMGUOA-LJQANCHMSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)C1CCCCC1 ZINC000651218229 718783675 /nfs/dbraw/zinc/78/36/75/718783675.db2.gz FRTUQMBISMGUOA-LJQANCHMSA-N 2 1 352.567 3.155 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479520 718818521 /nfs/dbraw/zinc/81/85/21/718818521.db2.gz HHBVQGYOHSEUTI-NRSFXHEJSA-N 2 1 355.448 3.089 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479520 718818528 /nfs/dbraw/zinc/81/85/28/718818528.db2.gz HHBVQGYOHSEUTI-NRSFXHEJSA-N 2 1 355.448 3.089 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676787 718849754 /nfs/dbraw/zinc/84/97/54/718849754.db2.gz NKWJMIIMTGSGKL-KRWDZBQOSA-N 2 1 353.913 3.474 20 0 FGADMP CC[N@@H+](CCCNC(=O)N1CCC(CC[NH2+]C)CC1)C1CCCCC1 ZINC000652227976 718924516 /nfs/dbraw/zinc/92/45/16/718924516.db2.gz SBZHVFXFOHNLQU-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347146 718934847 /nfs/dbraw/zinc/93/48/47/718934847.db2.gz STRSJUAKJAHHOF-YQQAZPJKSA-N 2 1 361.511 3.430 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(Br)c3)C2)C1 ZINC000652348704 718935349 /nfs/dbraw/zinc/93/53/49/718935349.db2.gz NXCDHTVYXOISMI-XKQJLSEDSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361834 718936730 /nfs/dbraw/zinc/93/67/30/718936730.db2.gz QMVOXWXJVXBCBI-BHIYHBOVSA-N 2 1 352.906 3.470 20 0 FGADMP CCO[C@H](C)c1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363705 718937377 /nfs/dbraw/zinc/93/73/77/718937377.db2.gz LHESWSMMUJYSBH-SRABZTEZSA-N 2 1 353.532 3.101 20 0 FGADMP CCO[C@H](C)c1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363705 718937380 /nfs/dbraw/zinc/93/73/80/718937380.db2.gz LHESWSMMUJYSBH-SRABZTEZSA-N 2 1 353.532 3.101 20 0 FGADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1c1ccc2c(n1)CC[NH+](Cc1ccccc1)C2 ZINC001164631046 719181908 /nfs/dbraw/zinc/18/19/08/719181908.db2.gz ADUJXSUMFMTPGN-ROUUACIJSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@H]1C[NH+](C)[C@@H](C)CN1c1ccc2c(n1)CC[N@@H+](Cc1ccccc1)C2 ZINC001164631046 719181912 /nfs/dbraw/zinc/18/19/12/719181912.db2.gz ADUJXSUMFMTPGN-ROUUACIJSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@H]1C[NH+](C)[C@@H](C)CN1c1ccc2c(n1)CC[N@H+](Cc1ccccc1)C2 ZINC001164631046 719181915 /nfs/dbraw/zinc/18/19/15/719181915.db2.gz ADUJXSUMFMTPGN-ROUUACIJSA-N 2 1 350.510 3.169 20 0 FGADMP Clc1ccc(COCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000655738619 719332377 /nfs/dbraw/zinc/33/23/77/719332377.db2.gz NEHYCECBAZZLGW-QGZVFWFLSA-N 2 1 373.324 3.353 20 0 FGADMP Oc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1Br ZINC000656782974 719470497 /nfs/dbraw/zinc/47/04/97/719470497.db2.gz KMZPTQSCEQFAAJ-AWEZNQCLSA-N 2 1 353.304 3.366 20 0 FGADMP CCc1cc2c(ccnc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)o1 ZINC001164681427 719652334 /nfs/dbraw/zinc/65/23/34/719652334.db2.gz OOWDPDAUJWAFSK-UHFFFAOYSA-N 2 1 353.470 3.062 20 0 FGADMP CCc1cc2c(ccnc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)o1 ZINC001164681427 719652337 /nfs/dbraw/zinc/65/23/37/719652337.db2.gz OOWDPDAUJWAFSK-UHFFFAOYSA-N 2 1 353.470 3.062 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)c(Cl)c1 ZINC000657847991 719720119 /nfs/dbraw/zinc/72/01/19/719720119.db2.gz ZEUPJJANADPCRA-DGCLKSJQSA-N 2 1 361.711 3.210 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657924540 719731781 /nfs/dbraw/zinc/73/17/81/719731781.db2.gz BHJLJKUVRXZXPB-KKXDTOCCSA-N 2 1 353.457 3.438 20 0 FGADMP C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658321085 719785209 /nfs/dbraw/zinc/78/52/09/719785209.db2.gz LHKKEGBPIJPCKF-WMZOPIPTSA-N 2 1 352.469 3.427 20 0 FGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C)cc2C[NH3+])CC3)cs1 ZINC001164691546 719812151 /nfs/dbraw/zinc/81/21/51/719812151.db2.gz GVMXZAJXYQNQEW-UHFFFAOYSA-N 2 1 371.554 3.249 20 0 FGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000660075016 719985208 /nfs/dbraw/zinc/98/52/08/719985208.db2.gz UTTPXHWRMPZFRO-QGZVFWFLSA-N 2 1 353.963 3.144 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCSc3cccc(Cl)c3)CC2)C1 ZINC000660075016 719985211 /nfs/dbraw/zinc/98/52/11/719985211.db2.gz UTTPXHWRMPZFRO-QGZVFWFLSA-N 2 1 353.963 3.144 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291694 720410958 /nfs/dbraw/zinc/41/09/58/720410958.db2.gz XMXXHNUAMWWELH-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292179 720411044 /nfs/dbraw/zinc/41/10/44/720411044.db2.gz BWXJTAZBIHVCBS-DOTOQJQBSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292179 720411047 /nfs/dbraw/zinc/41/10/47/720411047.db2.gz BWXJTAZBIHVCBS-DOTOQJQBSA-N 2 1 350.507 3.015 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1)c1cccc(Cl)c1Cl ZINC000662338224 720416640 /nfs/dbraw/zinc/41/66/40/720416640.db2.gz IHSLZISPDZDSDZ-WBVHZDCISA-N 2 1 370.324 3.245 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662474210 720432334 /nfs/dbraw/zinc/43/23/34/720432334.db2.gz VJIREBLIBXZIMY-MRXNPFEDSA-N 2 1 358.313 3.054 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512885 720437237 /nfs/dbraw/zinc/43/72/37/720437237.db2.gz MMFATCWSEJWNJE-XFKAJCMBSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512885 720437239 /nfs/dbraw/zinc/43/72/39/720437239.db2.gz MMFATCWSEJWNJE-XFKAJCMBSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512891 720437257 /nfs/dbraw/zinc/43/72/57/720437257.db2.gz MPZQXWKSKRPIKX-FUHWJXTLSA-N 2 1 355.885 3.117 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512891 720437258 /nfs/dbraw/zinc/43/72/58/720437258.db2.gz MPZQXWKSKRPIKX-FUHWJXTLSA-N 2 1 355.885 3.117 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1cccc(Cl)c1Cl ZINC000662523751 720438043 /nfs/dbraw/zinc/43/80/43/720438043.db2.gz SCVSFSAKQSSPPD-XNJGSVPQSA-N 2 1 370.324 3.102 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC000662533055 720439341 /nfs/dbraw/zinc/43/93/41/720439341.db2.gz IVYPZUROIYINGF-QWQCLYJRSA-N 2 1 370.324 3.387 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164834245 720531673 /nfs/dbraw/zinc/53/16/73/720531673.db2.gz CZYTXLAYDMPJQU-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164834245 720531675 /nfs/dbraw/zinc/53/16/75/720531675.db2.gz CZYTXLAYDMPJQU-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665638977 720794502 /nfs/dbraw/zinc/79/45/02/720794502.db2.gz IDULMLWFPKFZSM-JKSUJKDBSA-N 2 1 368.953 3.314 20 0 FGADMP C[C@H](c1ccccc1Cl)N(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665638977 720794505 /nfs/dbraw/zinc/79/45/05/720794505.db2.gz IDULMLWFPKFZSM-JKSUJKDBSA-N 2 1 368.953 3.314 20 0 FGADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666857684 720991536 /nfs/dbraw/zinc/99/15/36/720991536.db2.gz FCBLJOSCGBKFIP-KRWDZBQOSA-N 2 1 352.404 3.182 20 0 FGADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2cccc(C(F)(F)F)c2)n1C ZINC000668160032 721248107 /nfs/dbraw/zinc/24/81/07/721248107.db2.gz QIDKQJTWQGRVDE-UHFFFAOYSA-N 2 1 354.420 3.311 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC000669935398 721503209 /nfs/dbraw/zinc/50/32/09/721503209.db2.gz SVJXMAGLYKKFFA-LJQANCHMSA-N 2 1 361.873 3.253 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@](C)(CO)c1cccc(C(F)(F)F)c1 ZINC000678077122 721937402 /nfs/dbraw/zinc/93/74/02/721937402.db2.gz JFPPVMJAGBFOMU-QGZVFWFLSA-N 2 1 355.404 3.488 20 0 FGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600353 721966792 /nfs/dbraw/zinc/96/67/92/721966792.db2.gz MAKCRCIGWQHKJQ-XIRDDKMYSA-N 2 1 356.432 3.073 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@@H+]2C)cc1OC ZINC000678747491 721975439 /nfs/dbraw/zinc/97/54/39/721975439.db2.gz YYDSCOMLGKVZRP-FUHWJXTLSA-N 2 1 350.503 3.245 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCCC[N@H+]2C)cc1OC ZINC000678747491 721975440 /nfs/dbraw/zinc/97/54/40/721975440.db2.gz YYDSCOMLGKVZRP-FUHWJXTLSA-N 2 1 350.503 3.245 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)[C@@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000678774974 721977965 /nfs/dbraw/zinc/97/79/65/721977965.db2.gz VMPDIWXDJIEYAN-IEBWSBKVSA-N 2 1 367.896 3.215 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=S)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000731492992 722475907 /nfs/dbraw/zinc/47/59/07/722475907.db2.gz SJRMODRZVDYXGW-GOSISDBHSA-N 2 1 368.635 3.083 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886325 722539005 /nfs/dbraw/zinc/53/90/05/722539005.db2.gz MDNPHMQJCYKEEU-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886325 722539006 /nfs/dbraw/zinc/53/90/06/722539006.db2.gz MDNPHMQJCYKEEU-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886325 722539007 /nfs/dbraw/zinc/53/90/07/722539007.db2.gz MDNPHMQJCYKEEU-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741253402 722543927 /nfs/dbraw/zinc/54/39/27/722543927.db2.gz VUXJCFRXVURJCW-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000741253402 722543928 /nfs/dbraw/zinc/54/39/28/722543928.db2.gz VUXJCFRXVURJCW-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000741253402 722543929 /nfs/dbraw/zinc/54/39/29/722543929.db2.gz VUXJCFRXVURJCW-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000760840209 723097571 /nfs/dbraw/zinc/09/75/71/723097571.db2.gz GRSYRBNLYHNVAU-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927011 723292992 /nfs/dbraw/zinc/29/29/92/723292992.db2.gz ZGYMVBPUGACQMY-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927011 723292993 /nfs/dbraw/zinc/29/29/93/723292993.db2.gz ZGYMVBPUGACQMY-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000792970966 723388346 /nfs/dbraw/zinc/38/83/46/723388346.db2.gz WOKKWYFLNMWBSR-ZWKOTPCHSA-N 2 1 356.432 3.481 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000792970966 723388357 /nfs/dbraw/zinc/38/83/57/723388357.db2.gz WOKKWYFLNMWBSR-ZWKOTPCHSA-N 2 1 356.432 3.481 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000764747350 723442073 /nfs/dbraw/zinc/44/20/73/723442073.db2.gz HJWIQEONDUBUMR-AYOQOUSVSA-N 2 1 354.922 3.100 20 0 FGADMP O[C@H](C[N@@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C[NH+]1CCCC1 ZINC000796113542 723622088 /nfs/dbraw/zinc/62/20/88/723622088.db2.gz NECRTPQHXBLFMF-KRWDZBQOSA-N 2 1 356.432 3.374 20 0 FGADMP O[C@H](C[N@H+](Cc1ccccc1C(F)(F)F)CC1CC1)C[NH+]1CCCC1 ZINC000796113542 723622089 /nfs/dbraw/zinc/62/20/89/723622089.db2.gz NECRTPQHXBLFMF-KRWDZBQOSA-N 2 1 356.432 3.374 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)C1 ZINC000796570463 723644350 /nfs/dbraw/zinc/64/43/50/723644350.db2.gz JAFZUIBFTBWIHD-QRVBRYPASA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)C1 ZINC000796570463 723644352 /nfs/dbraw/zinc/64/43/52/723644352.db2.gz JAFZUIBFTBWIHD-QRVBRYPASA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)C1 ZINC000796570463 723644353 /nfs/dbraw/zinc/64/43/53/723644353.db2.gz JAFZUIBFTBWIHD-QRVBRYPASA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1CCCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@H+]2C)C1 ZINC000796570463 723644354 /nfs/dbraw/zinc/64/43/54/723644354.db2.gz JAFZUIBFTBWIHD-QRVBRYPASA-N 2 1 351.535 3.194 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]C[C@H]1CN3CCC[C@H]3CO1)CCCO2 ZINC000768511839 723659781 /nfs/dbraw/zinc/65/97/81/723659781.db2.gz KEVGBMUUADDRMA-RLFYNMQTSA-N 2 1 350.890 3.315 20 0 FGADMP CC(C)(C)OC(=O)N1CC([NH+]2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000769705849 723692571 /nfs/dbraw/zinc/69/25/71/723692571.db2.gz QQDWRLWFGUZOKK-UHFFFAOYSA-N 2 1 351.535 3.194 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000773016193 723774607 /nfs/dbraw/zinc/77/46/07/723774607.db2.gz WNAVFVKURGLZPO-FHLIZLRMSA-N 2 1 372.912 3.239 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000773016193 723774608 /nfs/dbraw/zinc/77/46/08/723774608.db2.gz WNAVFVKURGLZPO-FHLIZLRMSA-N 2 1 372.912 3.239 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000798956697 723979717 /nfs/dbraw/zinc/97/97/17/723979717.db2.gz KHHQGQJZKODPFM-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4cccc(Cl)c4)C3=O)C2)CC1 ZINC000799177232 723995446 /nfs/dbraw/zinc/99/54/46/723995446.db2.gz MRGYYLQSUGRSAP-SFHVURJKSA-N 2 1 361.917 3.253 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]([C@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)CC1 ZINC000799176870 723995492 /nfs/dbraw/zinc/99/54/92/723995492.db2.gz DNYRBCICAGGKPZ-SFHVURJKSA-N 2 1 361.917 3.253 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000787302218 725024163 /nfs/dbraw/zinc/02/41/63/725024163.db2.gz HJWIQEONDUBUMR-KFKAGJAMSA-N 2 1 354.922 3.100 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000788529296 725070887 /nfs/dbraw/zinc/07/08/87/725070887.db2.gz XODRIUORKQRNQZ-CVEARBPZSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCC[C@@H](C)C1 ZINC000788529296 725070890 /nfs/dbraw/zinc/07/08/90/725070890.db2.gz XODRIUORKQRNQZ-CVEARBPZSA-N 2 1 351.535 3.096 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115594 725289751 /nfs/dbraw/zinc/28/97/51/725289751.db2.gz LCANAGMLYKYQDB-LPHOPBHVSA-N 2 1 369.550 3.460 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468101 725367620 /nfs/dbraw/zinc/36/76/20/725367620.db2.gz ZSXNXBLDQPHHGY-KSZLIROESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468101 725367621 /nfs/dbraw/zinc/36/76/21/725367621.db2.gz ZSXNXBLDQPHHGY-KSZLIROESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)NC(=O)OC(C)(C)C ZINC000811468101 725367623 /nfs/dbraw/zinc/36/76/23/725367623.db2.gz ZSXNXBLDQPHHGY-KSZLIROESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507341 725370703 /nfs/dbraw/zinc/37/07/03/725370703.db2.gz YXPLNYLXCQPSAX-KSZLIROESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)NC(=O)OC(C)(C)C ZINC000811507341 725370706 /nfs/dbraw/zinc/37/07/06/725370706.db2.gz YXPLNYLXCQPSAX-KSZLIROESA-N 2 1 353.551 3.342 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C)[NH+]1CCCC1 ZINC000812714990 726806201 /nfs/dbraw/zinc/80/62/01/726806201.db2.gz AZEMBMMZRSZUMJ-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812720096 726806571 /nfs/dbraw/zinc/80/65/71/726806571.db2.gz YSMHHPPCXGAXQY-KSZLIROESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934153 727288438 /nfs/dbraw/zinc/28/84/38/727288438.db2.gz BDFDJXIXYRUKKW-VHSSKADRSA-N 2 1 363.299 3.031 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817985868 727290719 /nfs/dbraw/zinc/29/07/19/727290719.db2.gz NRCWWLCZJGKAHB-OCCSQVGLSA-N 2 1 358.454 3.008 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nnc(-c2cccs2)o1 ZINC000871785009 735545860 /nfs/dbraw/zinc/54/58/60/735545860.db2.gz DVLJHLCZZPSZAH-ODWCKFRGSA-N 2 1 361.471 3.230 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nnc(-c2cccs2)o1 ZINC000871785009 735545865 /nfs/dbraw/zinc/54/58/65/735545865.db2.gz DVLJHLCZZPSZAH-ODWCKFRGSA-N 2 1 361.471 3.230 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409283 729277389 /nfs/dbraw/zinc/27/73/89/729277389.db2.gz WVDKYUJXTDSDKH-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CCC[N@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409283 729277393 /nfs/dbraw/zinc/27/73/93/729277393.db2.gz WVDKYUJXTDSDKH-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)CCN1C(=O)OC(C)(C)C ZINC000823409283 729277396 /nfs/dbraw/zinc/27/73/96/729277396.db2.gz WVDKYUJXTDSDKH-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834518031 729809397 /nfs/dbraw/zinc/80/93/97/729809397.db2.gz CUEASJOAERBREH-IRXDYDNUSA-N 2 1 350.507 3.349 20 0 FGADMP O=C1[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1ccc(Cl)c(Cl)c1 ZINC000843364723 730610878 /nfs/dbraw/zinc/61/08/78/730610878.db2.gz NGRHKXUSPAMSET-INIZCTEOSA-N 2 1 368.308 3.174 20 0 FGADMP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1SC(F)F ZINC000843363851 730610968 /nfs/dbraw/zinc/61/09/68/730610968.db2.gz FDKPBQGBMPTOPB-UHFFFAOYSA-N 2 1 355.454 3.015 20 0 FGADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1SC(F)F ZINC000843363851 730610969 /nfs/dbraw/zinc/61/09/69/730610969.db2.gz FDKPBQGBMPTOPB-UHFFFAOYSA-N 2 1 355.454 3.015 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000843487705 730624220 /nfs/dbraw/zinc/62/42/20/730624220.db2.gz UECDZNNGJGHQLB-QGZVFWFLSA-N 2 1 366.937 3.156 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328239 730703287 /nfs/dbraw/zinc/70/32/87/730703287.db2.gz XHJYESNFYXUDEC-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328239 730703291 /nfs/dbraw/zinc/70/32/91/730703291.db2.gz XHJYESNFYXUDEC-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328239 730703295 /nfs/dbraw/zinc/70/32/95/730703295.db2.gz XHJYESNFYXUDEC-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3ccnc(N(C)C)c3)C2)s1 ZINC000844328239 730703298 /nfs/dbraw/zinc/70/32/98/730703298.db2.gz XHJYESNFYXUDEC-GOSISDBHSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845920397 730909584 /nfs/dbraw/zinc/90/95/84/730909584.db2.gz GACXYPRPMOTWIX-OOHWJJMZSA-N 2 1 350.507 3.111 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927936 730910173 /nfs/dbraw/zinc/91/01/73/730910173.db2.gz ZESFNQBZYBRRML-MRLCAUJQSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927936 730910174 /nfs/dbraw/zinc/91/01/74/730910174.db2.gz ZESFNQBZYBRRML-MRLCAUJQSA-N 2 1 353.551 3.390 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CNC(=O)OC(C)(C)C)C1CCCC1 ZINC000846878671 730990418 /nfs/dbraw/zinc/99/04/18/730990418.db2.gz JTZMLEOPXOILTN-QGZVFWFLSA-N 2 1 350.507 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000848529390 731176056 /nfs/dbraw/zinc/17/60/56/731176056.db2.gz MPLJFTIJYINKJW-DLBZAZTESA-N 2 1 350.507 3.397 20 0 FGADMP [NH2+]=C(NCc1cccc(C(F)(F)F)c1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000849105540 731229930 /nfs/dbraw/zinc/22/99/30/731229930.db2.gz STUXDUKRCNTFTB-MRXNPFEDSA-N 2 1 354.420 3.336 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108035 731230113 /nfs/dbraw/zinc/23/01/13/731230113.db2.gz VDAMUGVWBCNRDT-BBRMVZONSA-N 2 1 356.436 3.407 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC(C(F)(F)F)CC3)cc2)C1 ZINC000850509443 731366317 /nfs/dbraw/zinc/36/63/17/731366317.db2.gz QDWGVFYNWKRZEI-DAWZGUTISA-N 2 1 356.432 3.464 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239515 731686773 /nfs/dbraw/zinc/68/67/73/731686773.db2.gz GYOUEAAGZMEELL-ZBFHGGJFSA-N 2 1 364.921 3.164 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000853831744 731759904 /nfs/dbraw/zinc/75/99/04/731759904.db2.gz MXUPQYDJDNTKDP-UHFFFAOYSA-N 2 1 352.567 3.203 20 0 FGADMP CC(C)[NH2+]Cc1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000854146705 731797885 /nfs/dbraw/zinc/79/78/85/731797885.db2.gz CPYMPLKEKSBQSY-UHFFFAOYSA-N 2 1 363.893 3.030 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585889 732039595 /nfs/dbraw/zinc/03/95/95/732039595.db2.gz MZQIFVQUGAFDID-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585889 732039601 /nfs/dbraw/zinc/03/96/01/732039601.db2.gz MZQIFVQUGAFDID-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585889 732039607 /nfs/dbraw/zinc/03/96/07/732039607.db2.gz MZQIFVQUGAFDID-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccncc3Cl)C2)ccn1 ZINC000856585889 732039612 /nfs/dbraw/zinc/03/96/12/732039612.db2.gz MZQIFVQUGAFDID-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865818555 733274877 /nfs/dbraw/zinc/27/48/77/733274877.db2.gz CEBWLRMNXCWTDO-NVXWUHKLSA-N 2 1 353.551 3.484 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467806 733353987 /nfs/dbraw/zinc/35/39/87/733353987.db2.gz QVJBHBBNAOUYNV-CTNGQTDRSA-N 3 1 353.595 3.224 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000866467806 733353992 /nfs/dbraw/zinc/35/39/92/733353992.db2.gz QVJBHBBNAOUYNV-CTNGQTDRSA-N 2 1 353.595 3.224 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911023 733901553 /nfs/dbraw/zinc/90/15/53/733901553.db2.gz PYUJYBWPUIILRG-CTNYNGJSSA-N 2 1 367.896 3.106 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150378 735595859 /nfs/dbraw/zinc/59/58/59/735595859.db2.gz QKIZKVNVLUQVOG-WCQYABFASA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C(F)(F)F ZINC000872150378 735595860 /nfs/dbraw/zinc/59/58/60/735595860.db2.gz QKIZKVNVLUQVOG-WCQYABFASA-N 2 1 356.310 3.197 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(F)c1I ZINC000873016351 735709746 /nfs/dbraw/zinc/70/97/46/735709746.db2.gz KROYDLVWWXDHAV-UHFFFAOYSA-N 2 1 373.213 3.115 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000877625497 736695969 /nfs/dbraw/zinc/69/59/69/736695969.db2.gz ZJNNPILKSYPZQX-GSQWSPMESA-N 2 1 368.458 3.066 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC000878866917 736926943 /nfs/dbraw/zinc/92/69/43/736926943.db2.gz OCWHNBJVJHMMML-UHFFFAOYSA-N 2 1 350.816 3.010 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1Cl ZINC000878866917 736926948 /nfs/dbraw/zinc/92/69/48/736926948.db2.gz OCWHNBJVJHMMML-UHFFFAOYSA-N 2 1 350.816 3.010 20 0 FGADMP O=c1oc2ccc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)cc2o1 ZINC000882944517 737505807 /nfs/dbraw/zinc/50/58/07/737505807.db2.gz KJSCDVNIIORUGC-OAHLLOKOSA-N 2 1 358.463 3.449 20 0 FGADMP O=c1oc2ccc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)cc2o1 ZINC000882944517 737505812 /nfs/dbraw/zinc/50/58/12/737505812.db2.gz KJSCDVNIIORUGC-OAHLLOKOSA-N 2 1 358.463 3.449 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@H]1CCCOC1 ZINC000883192974 737533946 /nfs/dbraw/zinc/53/39/46/737533946.db2.gz LTBSRWPFUUZPTJ-DWRORGKVSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@H]1CCCOC1 ZINC000883192974 737533947 /nfs/dbraw/zinc/53/39/47/737533947.db2.gz LTBSRWPFUUZPTJ-DWRORGKVSA-N 2 1 352.544 3.162 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883359116 737557427 /nfs/dbraw/zinc/55/74/27/737557427.db2.gz YRELDYQEDKNAAS-VHDGCEQUSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C(F)(F)C(F)(F)F ZINC000883359116 737557429 /nfs/dbraw/zinc/55/74/29/737557429.db2.gz YRELDYQEDKNAAS-VHDGCEQUSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)cc1 ZINC000884039259 737627208 /nfs/dbraw/zinc/62/72/08/737627208.db2.gz JCLOVGNFQOPFOX-BDJLRTHQSA-N 2 1 351.372 3.041 20 0 FGADMP [NH3+][C@@H](CC1CC1)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000884317937 737654744 /nfs/dbraw/zinc/65/47/44/737654744.db2.gz HNJKVHLIKHQQFB-KRWDZBQOSA-N 2 1 370.324 3.201 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894535082 742296538 /nfs/dbraw/zinc/29/65/38/742296538.db2.gz ZSDMNWKQFWDJIC-BYNSBNAKSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894535082 742296540 /nfs/dbraw/zinc/29/65/40/742296540.db2.gz ZSDMNWKQFWDJIC-BYNSBNAKSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000892590223 740020664 /nfs/dbraw/zinc/02/06/64/740020664.db2.gz SXRJJOWMJMBTAK-UYJHQMFVSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000892590223 740020670 /nfs/dbraw/zinc/02/06/70/740020670.db2.gz SXRJJOWMJMBTAK-UYJHQMFVSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000892590396 740020714 /nfs/dbraw/zinc/02/07/14/740020714.db2.gz SXRJJOWMJMBTAK-ZVDSWSACSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000892590396 740020719 /nfs/dbraw/zinc/02/07/19/740020719.db2.gz SXRJJOWMJMBTAK-ZVDSWSACSA-N 2 1 362.436 3.113 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892668643 740030072 /nfs/dbraw/zinc/03/00/72/740030072.db2.gz PHHPWKPOEJIGRJ-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892668643 740030078 /nfs/dbraw/zinc/03/00/78/740030078.db2.gz PHHPWKPOEJIGRJ-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc3cccs3)C1)OCCO2 ZINC000892737785 740039214 /nfs/dbraw/zinc/03/92/14/740039214.db2.gz KRISXJHTQHYMCQ-NXHRZFHOSA-N 2 1 368.518 3.183 20 0 FGADMP F[C@@H]1CC2(CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc3cccs3)C1)OCCO2 ZINC000892737785 740039219 /nfs/dbraw/zinc/03/92/19/740039219.db2.gz KRISXJHTQHYMCQ-NXHRZFHOSA-N 2 1 368.518 3.183 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000893200406 742123042 /nfs/dbraw/zinc/12/30/42/742123042.db2.gz OMBFQSFNLQJMPS-OKZBNKHCSA-N 2 1 353.551 3.247 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cc3c(cccc3O)s2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000894076963 742235144 /nfs/dbraw/zinc/23/51/44/742235144.db2.gz REYFHSSWWLMLOM-YJBOKZPZSA-N 2 1 359.539 3.065 20 0 FGADMP C[N@@H+](Cc1cc2c(cccc2O)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894768987 742330471 /nfs/dbraw/zinc/33/04/71/742330471.db2.gz BRGRMLOAGFXVPK-INIZCTEOSA-N 2 1 359.539 3.207 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000895587034 742430074 /nfs/dbraw/zinc/43/00/74/742430074.db2.gz GAOXOFIVSSMSOU-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000895587034 742430079 /nfs/dbraw/zinc/43/00/79/742430079.db2.gz GAOXOFIVSSMSOU-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000895670450 742438424 /nfs/dbraw/zinc/43/84/24/742438424.db2.gz IRLQVPUWMIEEIG-LJQANCHMSA-N 2 1 351.535 3.194 20 0 FGADMP CCc1nnc(C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898517600 742804172 /nfs/dbraw/zinc/80/41/72/742804172.db2.gz RMICWAJGFGHJQX-SQNIBIBYSA-N 2 1 356.539 3.491 20 0 FGADMP C[C@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874558 743021024 /nfs/dbraw/zinc/02/10/24/743021024.db2.gz CWAHRJLTIZDMAI-GFCCVEGCSA-N 2 1 355.360 3.266 20 0 FGADMP C[C@@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000899875851 743023549 /nfs/dbraw/zinc/02/35/49/743023549.db2.gz ZDDFYHFEAXKGSB-BZNIZROVSA-N 2 1 355.360 3.264 20 0 FGADMP C[C@@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000899875851 743023561 /nfs/dbraw/zinc/02/35/61/743023561.db2.gz ZDDFYHFEAXKGSB-BZNIZROVSA-N 2 1 355.360 3.264 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000900439910 743113658 /nfs/dbraw/zinc/11/36/58/743113658.db2.gz PSLUBETUXJUWTH-SCTDSRPQSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900439910 743113665 /nfs/dbraw/zinc/11/36/65/743113665.db2.gz PSLUBETUXJUWTH-SCTDSRPQSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900439910 743113671 /nfs/dbraw/zinc/11/36/71/743113671.db2.gz PSLUBETUXJUWTH-SCTDSRPQSA-N 2 1 361.555 3.093 20 0 FGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1cccc(Br)c1 ZINC000903123940 743809731 /nfs/dbraw/zinc/80/97/31/743809731.db2.gz DIHXOKZBJTWDTE-ONQFOCNCSA-N 2 1 365.315 3.230 20 0 FGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Br)c1 ZINC000903123940 743809737 /nfs/dbraw/zinc/80/97/37/743809737.db2.gz DIHXOKZBJTWDTE-ONQFOCNCSA-N 2 1 365.315 3.230 20 0 FGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732988 743880117 /nfs/dbraw/zinc/88/01/17/743880117.db2.gz ITOOILFZGOODFU-GQIGUUNPSA-N 2 1 357.523 3.244 20 0 FGADMP FC(F)Oc1ccc([C@@H]2C[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCO2)cc1 ZINC000903904453 743894601 /nfs/dbraw/zinc/89/46/01/743894601.db2.gz VOABSZIKUDFKDT-NZZOQPFGSA-N 2 1 352.425 3.192 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)[C@H]1c1cccs1 ZINC000905132238 743995089 /nfs/dbraw/zinc/99/50/89/743995089.db2.gz KZIHFQFKULBPJB-AOIWGVFYSA-N 2 1 366.571 3.024 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)[C@H]1c1cccs1 ZINC000905132238 743995090 /nfs/dbraw/zinc/99/50/90/743995090.db2.gz KZIHFQFKULBPJB-AOIWGVFYSA-N 2 1 366.571 3.024 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126710 757883903 /nfs/dbraw/zinc/88/39/03/757883903.db2.gz LLKHGRBEYYEXJH-DLBZAZTESA-N 2 1 368.616 3.079 20 0 FGADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000921980397 758832774 /nfs/dbraw/zinc/83/27/74/758832774.db2.gz LNBWJYKXGSOZPG-LJQANCHMSA-N 2 1 359.901 3.290 20 0 FGADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000921980397 758832786 /nfs/dbraw/zinc/83/27/86/758832786.db2.gz LNBWJYKXGSOZPG-LJQANCHMSA-N 2 1 359.901 3.290 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382341 759109099 /nfs/dbraw/zinc/10/90/99/759109099.db2.gz CGEUVJZCZXVJAI-PBHICJAKSA-N 2 1 356.432 3.073 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923483733 759129201 /nfs/dbraw/zinc/12/92/01/759129201.db2.gz QQPNLNFFEXQDEE-GFCCVEGCSA-N 2 1 350.260 3.275 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)C1 ZINC000923491678 759130556 /nfs/dbraw/zinc/13/05/56/759130556.db2.gz MDCLTCJQGAWFIO-GFCCVEGCSA-N 2 1 350.260 3.275 20 0 FGADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490861 759130979 /nfs/dbraw/zinc/13/09/79/759130979.db2.gz WWRANRGDLMSVJI-FRRDWIJNSA-N 2 1 360.527 3.253 20 0 FGADMP C[C@@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923490861 759130985 /nfs/dbraw/zinc/13/09/85/759130985.db2.gz WWRANRGDLMSVJI-FRRDWIJNSA-N 2 1 360.527 3.253 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000924648116 759367234 /nfs/dbraw/zinc/36/72/34/759367234.db2.gz KPZJPHXFVSFRJE-MLGOLLRUSA-N 2 1 350.304 3.295 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc[nH]c(=O)c3)CC2)cs1 ZINC000925030799 759433906 /nfs/dbraw/zinc/43/39/06/759433906.db2.gz IWDWZKJFRAABKU-CQSZACIVSA-N 2 1 360.527 3.369 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1Cl ZINC000925651205 759517386 /nfs/dbraw/zinc/51/73/86/759517386.db2.gz YLYGVQDJSJEQNV-DOTOQJQBSA-N 2 1 370.946 3.001 20 0 FGADMP C[C@H]1[C@@H](N2CCc3sc(C[NH3+])nc3C2)CCC[N@H+]1Cc1ccccc1 ZINC000925750891 759531727 /nfs/dbraw/zinc/53/17/27/759531727.db2.gz VZJSFCSZLHRFKO-YJBOKZPZSA-N 2 1 356.539 3.013 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925786661 759539117 /nfs/dbraw/zinc/53/91/17/759539117.db2.gz XRSGIWGTNYGWBX-HIFRSBDPSA-N 2 1 354.445 3.112 20 0 FGADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)nc(C)[nH+]1 ZINC000925827701 759552881 /nfs/dbraw/zinc/55/28/81/759552881.db2.gz ANIHYLOORQEGAC-RHSMWYFYSA-N 2 1 357.889 3.388 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000930001832 760509106 /nfs/dbraw/zinc/50/91/06/760509106.db2.gz WZFWANIRMFOQSF-ZJPYXAASSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000960641898 762736856 /nfs/dbraw/zinc/73/68/56/762736856.db2.gz NXCUSSZYNXITPU-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000960641898 762736859 /nfs/dbraw/zinc/73/68/59/762736859.db2.gz NXCUSSZYNXITPU-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000960641898 762736861 /nfs/dbraw/zinc/73/68/61/762736861.db2.gz NXCUSSZYNXITPU-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP Cc1cc(C[NH2+]C2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000963345051 762771016 /nfs/dbraw/zinc/77/10/16/762771016.db2.gz ZYCNTNONYDRSHB-JYPHPWERSA-N 2 1 363.571 3.256 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000971567618 762913738 /nfs/dbraw/zinc/91/37/38/762913738.db2.gz SBEJSEWSWFBYJV-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC000971567618 762913742 /nfs/dbraw/zinc/91/37/42/762913742.db2.gz SBEJSEWSWFBYJV-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC000971567618 762913744 /nfs/dbraw/zinc/91/37/44/762913744.db2.gz SBEJSEWSWFBYJV-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH+](Cc3csc(C)c3)CC2(C)C)CC[N@H+]1C ZINC000974598892 763034600 /nfs/dbraw/zinc/03/46/00/763034600.db2.gz KPRUEYHJOJHMFX-KSZLIROESA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@H+](Cc3csc(C)c3)CC2(C)C)CC[NH+]1C ZINC000974598892 763034605 /nfs/dbraw/zinc/03/46/05/763034605.db2.gz KPRUEYHJOJHMFX-KSZLIROESA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[N@@H+](Cc3csc(C)c3)CC2(C)C)CC[NH+]1C ZINC000974598892 763034610 /nfs/dbraw/zinc/03/46/10/763034610.db2.gz KPRUEYHJOJHMFX-KSZLIROESA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000998795533 765125572 /nfs/dbraw/zinc/12/55/72/765125572.db2.gz YZZATWXCDTUUNW-FPCDFSMTSA-N 2 1 369.962 3.211 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000999203290 765147631 /nfs/dbraw/zinc/14/76/31/765147631.db2.gz ABKPLMGJLQDBFW-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001001420346 765286855 /nfs/dbraw/zinc/28/68/55/765286855.db2.gz IHEITOJOLGIXDB-DNVCBOLYSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002861096 765350190 /nfs/dbraw/zinc/35/01/90/765350190.db2.gz RYMTYHYOOIENDF-SPYBWZPUSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001014507089 765787050 /nfs/dbraw/zinc/78/70/50/765787050.db2.gz JHIKALBZSNHVJG-JENIJYKNSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001014507089 765787055 /nfs/dbraw/zinc/78/70/55/765787055.db2.gz JHIKALBZSNHVJG-JENIJYKNSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3Cl)C2)CC[NH+]1C ZINC001014507089 765787059 /nfs/dbraw/zinc/78/70/59/765787059.db2.gz JHIKALBZSNHVJG-JENIJYKNSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccc(C)cc3Cl)C2)CC[NH+]1C ZINC001014507089 765787061 /nfs/dbraw/zinc/78/70/61/765787061.db2.gz JHIKALBZSNHVJG-JENIJYKNSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001026497006 766074851 /nfs/dbraw/zinc/07/48/51/766074851.db2.gz GPGOYEDXXPMADM-WZOJCFFYSA-N 2 1 363.571 3.304 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001029741691 766150597 /nfs/dbraw/zinc/15/05/97/766150597.db2.gz AOGPCAKMCBVIGU-QLFBSQMISA-N 2 1 369.962 3.022 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC001029741691 766150605 /nfs/dbraw/zinc/15/06/05/766150605.db2.gz AOGPCAKMCBVIGU-QLFBSQMISA-N 2 1 369.962 3.022 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001034213826 766233506 /nfs/dbraw/zinc/23/35/06/766233506.db2.gz BUBIIKUIWMYCIP-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001034213826 766233511 /nfs/dbraw/zinc/23/35/11/766233511.db2.gz BUBIIKUIWMYCIP-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001034213826 766233515 /nfs/dbraw/zinc/23/35/15/766233515.db2.gz BUBIIKUIWMYCIP-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001034213826 766233519 /nfs/dbraw/zinc/23/35/19/766233519.db2.gz BUBIIKUIWMYCIP-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001045443780 766536749 /nfs/dbraw/zinc/53/67/49/766536749.db2.gz WLOAYOWVKBPVAF-NVXWUHKLSA-N 2 1 363.933 3.151 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@H](C)C1 ZINC000536848874 503740056 /nfs/dbraw/zinc/74/00/56/503740056.db2.gz YMIRATWKUISEQZ-QYZOEREBSA-N 2 1 370.603 3.158 20 0 FGADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000579559691 505574989 /nfs/dbraw/zinc/57/49/89/505574989.db2.gz NGZFWLOHBXGGPL-IBGZPJMESA-N 2 1 363.465 3.381 20 0 FGADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000579559691 505574993 /nfs/dbraw/zinc/57/49/93/505574993.db2.gz NGZFWLOHBXGGPL-IBGZPJMESA-N 2 1 363.465 3.381 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573637237 505584155 /nfs/dbraw/zinc/58/41/55/505584155.db2.gz JWASGZKISBIVAN-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000573647697 505585975 /nfs/dbraw/zinc/58/59/75/505585975.db2.gz RDIKGIBOFOLBGA-MUMAZLPKSA-N 2 1 368.468 3.374 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000573696185 505598988 /nfs/dbraw/zinc/59/89/88/505598988.db2.gz JUYUGHZDIMZKCX-JOCHJYFZSA-N 2 1 371.569 3.479 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000573696185 505598991 /nfs/dbraw/zinc/59/89/91/505598991.db2.gz JUYUGHZDIMZKCX-JOCHJYFZSA-N 2 1 371.569 3.479 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000573696185 505598996 /nfs/dbraw/zinc/59/89/96/505598996.db2.gz JUYUGHZDIMZKCX-JOCHJYFZSA-N 2 1 371.569 3.479 20 0 FGADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870888 505599420 /nfs/dbraw/zinc/59/94/20/505599420.db2.gz PXLXDPQQLRUHDD-FPOVZHCZSA-N 2 1 360.542 3.318 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000576918168 505623671 /nfs/dbraw/zinc/62/36/71/505623671.db2.gz QBEPFPQNFJWKKG-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000576918168 505623676 /nfs/dbraw/zinc/62/36/76/505623676.db2.gz QBEPFPQNFJWKKG-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000576918168 505623681 /nfs/dbraw/zinc/62/36/81/505623681.db2.gz QBEPFPQNFJWKKG-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000577078966 505659988 /nfs/dbraw/zinc/65/99/88/505659988.db2.gz SOGNGTFTLRCHMQ-KRWDZBQOSA-N 2 1 362.543 3.081 20 0 FGADMP OCCCSCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000573987895 505667132 /nfs/dbraw/zinc/66/71/32/505667132.db2.gz JKAJDYUSQSXZFG-PWRODBHTSA-N 2 1 362.583 3.382 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000574019065 505675135 /nfs/dbraw/zinc/67/51/35/505675135.db2.gz AOAURPLYLZSQAB-SFHVURJKSA-N 2 1 366.571 3.200 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000577163543 505677821 /nfs/dbraw/zinc/67/78/21/505677821.db2.gz ICTCGPQWQUKDPZ-LVCYWYKZSA-N 2 1 372.557 3.472 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cc1)C(C)C ZINC000571214277 505680541 /nfs/dbraw/zinc/68/05/41/505680541.db2.gz YAEHABNIJNOPOY-IBGZPJMESA-N 2 1 366.509 3.380 20 0 FGADMP Brc1ccsc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000068299150 493792614 /nfs/dbraw/zinc/79/26/14/493792614.db2.gz YTPHNMHIGNASQF-UHFFFAOYSA-N 2 1 359.333 3.055 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000048750434 493843801 /nfs/dbraw/zinc/84/38/01/493843801.db2.gz KYBVQLMBEHBXGW-UHFFFAOYSA-N 2 1 359.424 3.452 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000068722581 493863784 /nfs/dbraw/zinc/86/37/84/493863784.db2.gz UHHQWCQURGOAJN-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000068722581 493863788 /nfs/dbraw/zinc/86/37/88/493863788.db2.gz UHHQWCQURGOAJN-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000580171379 505694743 /nfs/dbraw/zinc/69/47/43/505694743.db2.gz DAZKVBODRCXTIC-PGRDOPGGSA-N 2 1 372.557 3.250 20 0 FGADMP CC(C)N(C(=O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449925 505696533 /nfs/dbraw/zinc/69/65/33/505696533.db2.gz AWLAZVSUFCQRAJ-RTWAWAEBSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449925 505696536 /nfs/dbraw/zinc/69/65/36/505696536.db2.gz AWLAZVSUFCQRAJ-RTWAWAEBSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449925 505696540 /nfs/dbraw/zinc/69/65/40/505696540.db2.gz AWLAZVSUFCQRAJ-RTWAWAEBSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449925 505696543 /nfs/dbraw/zinc/69/65/43/505696543.db2.gz AWLAZVSUFCQRAJ-RTWAWAEBSA-N 2 1 357.542 3.086 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000571300790 505702110 /nfs/dbraw/zinc/70/21/10/505702110.db2.gz SWTSIFYDGIYZRY-GCJKJVERSA-N 2 1 372.557 3.107 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000086366825 494150433 /nfs/dbraw/zinc/15/04/33/494150433.db2.gz PUEGTPKHYIBVCK-RDJZCZTQSA-N 2 1 367.497 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000086366825 494150436 /nfs/dbraw/zinc/15/04/36/494150436.db2.gz PUEGTPKHYIBVCK-RDJZCZTQSA-N 2 1 367.497 3.025 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305992 505703242 /nfs/dbraw/zinc/70/32/42/505703242.db2.gz BWWUQJSHIISLRS-SFTDATJTSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305992 505703246 /nfs/dbraw/zinc/70/32/46/505703246.db2.gz BWWUQJSHIISLRS-SFTDATJTSA-N 2 1 360.542 3.323 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1C ZINC000072599805 494214807 /nfs/dbraw/zinc/21/48/07/494214807.db2.gz VZSZJDNJVLNUDO-INIZCTEOSA-N 2 1 350.482 3.014 20 0 FGADMP COc1cccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000072635879 494222639 /nfs/dbraw/zinc/22/26/39/494222639.db2.gz RLONRFYFASGHRD-LJQANCHMSA-N 2 1 373.541 3.468 20 0 FGADMP COc1cccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000072635884 494222794 /nfs/dbraw/zinc/22/27/94/494222794.db2.gz RLONRFYFASGHRD-IBGZPJMESA-N 2 1 373.541 3.468 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1cc(F)cc(F)c1 ZINC000072718370 494239239 /nfs/dbraw/zinc/23/92/39/494239239.db2.gz MLAFZUGVLXQYRZ-HNNXBMFYSA-N 2 1 351.441 3.101 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000088702301 494256809 /nfs/dbraw/zinc/25/68/09/494256809.db2.gz UIVIXOBOBOOONA-LJQANCHMSA-N 3 1 369.557 3.149 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000072866521 494272133 /nfs/dbraw/zinc/27/21/33/494272133.db2.gz HVJDLQVHAXLFAE-UHFFFAOYSA-N 2 1 372.557 3.377 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231292 494276651 /nfs/dbraw/zinc/27/66/51/494276651.db2.gz ZPJQUTFCAUIHRI-IRXDYDNUSA-N 2 1 364.559 3.059 20 0 FGADMP CN(CC[N@@H+](C)CCOc1c(Cl)cccc1Cl)C1CC[NH+](C)CC1 ZINC000089269447 494282526 /nfs/dbraw/zinc/28/25/26/494282526.db2.gz WMKBYPSWJFTGFT-UHFFFAOYSA-N 2 1 374.356 3.330 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000568506533 505711995 /nfs/dbraw/zinc/71/19/95/505711995.db2.gz ZIHLDMOIJLGHTD-OAQYLSRUSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512192 505712867 /nfs/dbraw/zinc/71/28/67/505712867.db2.gz QSNNUQFNEZFUKK-HJXMPXNTSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512192 505712868 /nfs/dbraw/zinc/71/28/68/505712868.db2.gz QSNNUQFNEZFUKK-HJXMPXNTSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512195 505713032 /nfs/dbraw/zinc/71/30/32/505713032.db2.gz QSNNUQFNEZFUKK-ZILJWTLNSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000568512195 505713036 /nfs/dbraw/zinc/71/30/36/505713036.db2.gz QSNNUQFNEZFUKK-ZILJWTLNSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000073202472 494335950 /nfs/dbraw/zinc/33/59/50/494335950.db2.gz CHHSSNKOXHKRAH-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000078668761 494339791 /nfs/dbraw/zinc/33/97/91/494339791.db2.gz CLMDUBADRQMJOZ-SFHVURJKSA-N 2 1 360.546 3.200 20 0 FGADMP C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073477660 494375404 /nfs/dbraw/zinc/37/54/04/494375404.db2.gz VJFWZSYQUFVPPH-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000073477660 494375407 /nfs/dbraw/zinc/37/54/07/494375407.db2.gz VJFWZSYQUFVPPH-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045186682 494404483 /nfs/dbraw/zinc/40/44/83/494404483.db2.gz FMSGXCBUGNPVOK-NHCUHLMSSA-N 2 1 370.541 3.099 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000073660974 494409059 /nfs/dbraw/zinc/40/90/59/494409059.db2.gz AIBCHKZXQLAYLW-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000577405159 505720824 /nfs/dbraw/zinc/72/08/24/505720824.db2.gz VKHXBUIKGKFWPW-HNNXBMFYSA-N 2 1 355.486 3.012 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(F)cc2)CC1 ZINC000066960791 494446041 /nfs/dbraw/zinc/44/60/41/494446041.db2.gz CZGYBNFZBFJTKT-KRWDZBQOSA-N 2 1 363.521 3.274 20 0 FGADMP CC(C)C[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000045788875 494461929 /nfs/dbraw/zinc/46/19/29/494461929.db2.gz MGXYICPNKRKQPI-UHFFFAOYSA-N 2 1 360.546 3.010 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090529888 494479601 /nfs/dbraw/zinc/47/96/01/494479601.db2.gz YAHLDESBPZGTJQ-NRFANRHFSA-N 2 1 361.599 3.412 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](C)C1CC1 ZINC000074100437 494481514 /nfs/dbraw/zinc/48/15/14/494481514.db2.gz XEMWTYFLWUBNHA-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000074100437 494481518 /nfs/dbraw/zinc/48/15/18/494481518.db2.gz XEMWTYFLWUBNHA-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000074100437 494481524 /nfs/dbraw/zinc/48/15/24/494481524.db2.gz XEMWTYFLWUBNHA-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP FC(F)(F)CN1CC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079639732 494498827 /nfs/dbraw/zinc/49/88/27/494498827.db2.gz MHDQTVYOYDWBND-KRWDZBQOSA-N 2 1 355.448 3.125 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000056846140 494575769 /nfs/dbraw/zinc/57/57/69/494575769.db2.gz CJYLOZFTZWDYIX-UHFFFAOYSA-N 2 1 374.573 3.400 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1 ZINC000125936472 494580563 /nfs/dbraw/zinc/58/05/63/494580563.db2.gz WYZGPQQMSUBJNN-INIZCTEOSA-N 2 1 365.905 3.180 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000080146332 494612911 /nfs/dbraw/zinc/61/29/11/494612911.db2.gz HNAFFFIIYRRECZ-LJQANCHMSA-N 2 1 364.578 3.061 20 0 FGADMP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000571431508 505731969 /nfs/dbraw/zinc/73/19/69/505731969.db2.gz MNHSVILTQUYKCJ-XUVXKRRUSA-N 2 1 371.456 3.260 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813821 494629359 /nfs/dbraw/zinc/62/93/59/494629359.db2.gz APTJRHPKVSMNKG-FPOVZHCZSA-N 2 1 372.557 3.115 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccncc3)C2)CC1 ZINC000092587820 494680160 /nfs/dbraw/zinc/68/01/60/494680160.db2.gz HBCULJGNZILSNU-LJQANCHMSA-N 2 1 367.541 3.426 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccncc3)C2)CC1 ZINC000092587820 494680164 /nfs/dbraw/zinc/68/01/64/494680164.db2.gz HBCULJGNZILSNU-LJQANCHMSA-N 2 1 367.541 3.426 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000092664908 494702992 /nfs/dbraw/zinc/70/29/92/494702992.db2.gz WOXPVJVZMPNYMO-KDURUIRLSA-N 2 1 367.541 3.067 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000092664908 494703000 /nfs/dbraw/zinc/70/30/00/494703000.db2.gz WOXPVJVZMPNYMO-KDURUIRLSA-N 2 1 367.541 3.067 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108549649 494735087 /nfs/dbraw/zinc/73/50/87/494735087.db2.gz INQNZZAAIKMCOM-MOPGFXCFSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000108549649 494735096 /nfs/dbraw/zinc/73/50/96/494735096.db2.gz INQNZZAAIKMCOM-MOPGFXCFSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000108549649 494735105 /nfs/dbraw/zinc/73/51/05/494735105.db2.gz INQNZZAAIKMCOM-MOPGFXCFSA-N 2 1 372.557 3.060 20 0 FGADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820886 494761039 /nfs/dbraw/zinc/76/10/39/494761039.db2.gz CVMFFCWFEPCKCN-QGZVFWFLSA-N 2 1 360.546 3.313 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116396107 494773895 /nfs/dbraw/zinc/77/38/95/494773895.db2.gz QUZCTRPKKCWOLR-BXWFABGCSA-N 2 1 363.546 3.217 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]3C[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000075505608 494780526 /nfs/dbraw/zinc/78/05/26/494780526.db2.gz OLTYFVHZKRYRIS-HXUWFJFHSA-N 2 1 370.541 3.083 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2CC[NH+](C)CC2)C1 ZINC000047885562 494788296 /nfs/dbraw/zinc/78/82/96/494788296.db2.gz ACFRSORLNYBEON-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000092165843 494803085 /nfs/dbraw/zinc/80/30/85/494803085.db2.gz NNWYJODTOWYVQQ-UHFFFAOYSA-N 2 1 350.503 3.409 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(OCC)c(OC)c2)CC1 ZINC000092165843 494803091 /nfs/dbraw/zinc/80/30/91/494803091.db2.gz NNWYJODTOWYVQQ-UHFFFAOYSA-N 2 1 350.503 3.409 20 0 FGADMP COc1cccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc(C)[nH+]c12 ZINC000126732828 494828362 /nfs/dbraw/zinc/82/83/62/494828362.db2.gz CCGXGSGMZWLDDK-INIZCTEOSA-N 2 1 355.482 3.465 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc([C@H]4C[C@H]4C)o3)CC2)CC1 ZINC000093141783 494834346 /nfs/dbraw/zinc/83/43/46/494834346.db2.gz LHKWXLAPRUFAIU-XLIONFOSSA-N 2 1 373.541 3.169 20 0 FGADMP CCOc1c(OC)cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1OC ZINC000121800284 494862999 /nfs/dbraw/zinc/86/29/99/494862999.db2.gz JHWKDUUPNJZIIA-UHFFFAOYSA-N 2 1 373.497 3.291 20 0 FGADMP Cc1ccc([C@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093384162 494882491 /nfs/dbraw/zinc/88/24/91/494882491.db2.gz PUOBXWBOZAWGCE-OAQYLSRUSA-N 2 1 365.525 3.264 20 0 FGADMP Cc1ccc([C@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093384162 494882493 /nfs/dbraw/zinc/88/24/93/494882493.db2.gz PUOBXWBOZAWGCE-OAQYLSRUSA-N 2 1 365.525 3.264 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093397603 494885309 /nfs/dbraw/zinc/88/53/09/494885309.db2.gz PKWYDDVXAPQSTB-INIZCTEOSA-N 2 1 350.576 3.090 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](COCC)C2)CC1 ZINC000093419171 494890190 /nfs/dbraw/zinc/89/01/90/494890190.db2.gz ZGHFMHLOYDRJSX-FQEVSTJZSA-N 2 1 359.558 3.467 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596869 494903159 /nfs/dbraw/zinc/90/31/59/494903159.db2.gz IBCXOSYNVBSBAK-OAQYLSRUSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093596869 494903162 /nfs/dbraw/zinc/90/31/62/494903162.db2.gz IBCXOSYNVBSBAK-OAQYLSRUSA-N 2 1 352.526 3.466 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093693935 494913251 /nfs/dbraw/zinc/91/32/51/494913251.db2.gz ZGRPVZCBFLXFQX-GOSISDBHSA-N 2 1 362.514 3.019 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093693935 494913255 /nfs/dbraw/zinc/91/32/55/494913255.db2.gz ZGRPVZCBFLXFQX-GOSISDBHSA-N 2 1 362.514 3.019 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(Cl)c1 ZINC000568676015 505749638 /nfs/dbraw/zinc/74/96/38/505749638.db2.gz BFUPGKDKCSMNOX-UHFFFAOYSA-N 2 1 363.889 3.364 20 0 FGADMP Cc1ccc2ncc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n2c1 ZINC000093844487 494927495 /nfs/dbraw/zinc/92/74/95/494927495.db2.gz PSOOSKSPLOTLSN-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP CC(C)C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000132906905 494941453 /nfs/dbraw/zinc/94/14/53/494941453.db2.gz KCAYPYWYFDNXDC-NRFANRHFSA-N 2 1 360.590 3.283 20 0 FGADMP C[C@@H]1CCC[N@H+](CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133008401 494956286 /nfs/dbraw/zinc/95/62/86/494956286.db2.gz ZSISWSGCUZGSQQ-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133008401 494956288 /nfs/dbraw/zinc/95/62/88/494956288.db2.gz ZSISWSGCUZGSQQ-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP COc1ccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)ccc2c1 ZINC000128200707 495060215 /nfs/dbraw/zinc/06/02/15/495060215.db2.gz JUMSDFKQGQDZTE-UZLBHIALSA-N 2 1 369.509 3.086 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000128250548 495067955 /nfs/dbraw/zinc/06/79/55/495067955.db2.gz QHJCJPOXEYGTQZ-GOSISDBHSA-N 2 1 351.922 3.171 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123240432 495102000 /nfs/dbraw/zinc/10/20/00/495102000.db2.gz BHIZHBBOAYPFGC-OXQOHEQNSA-N 2 1 369.513 3.367 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111805310 495113451 /nfs/dbraw/zinc/11/34/51/495113451.db2.gz BKEMYVHGVSORRL-LJQANCHMSA-N 2 1 352.567 3.206 20 0 FGADMP COc1ccccc1-c1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123333476 495115839 /nfs/dbraw/zinc/11/58/39/495115839.db2.gz RZCGREQQTPZQBU-UHFFFAOYSA-N 2 1 358.486 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119244016 495126028 /nfs/dbraw/zinc/12/60/28/495126028.db2.gz HJJNTYYBZGHAOD-DENIHFKCSA-N 2 1 370.541 3.158 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000123558402 495151623 /nfs/dbraw/zinc/15/16/23/495151623.db2.gz LKBIJOJRTICGFE-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000123558402 495151627 /nfs/dbraw/zinc/15/16/27/495151627.db2.gz LKBIJOJRTICGFE-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000119421606 495163231 /nfs/dbraw/zinc/16/32/31/495163231.db2.gz ZGIWLDGWUXWFFY-ZIAGYGMSSA-N 2 1 365.905 3.140 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2CC[NH+](C)CC2)c1 ZINC000134635080 495179295 /nfs/dbraw/zinc/17/92/95/495179295.db2.gz YDFCEUVZOVTVJC-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP CCc1ccc(CN(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000577623721 505766887 /nfs/dbraw/zinc/76/68/87/505766887.db2.gz YPQKWLRNTLNYLI-UHFFFAOYSA-N 2 1 371.569 3.404 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000103236749 495207558 /nfs/dbraw/zinc/20/75/58/495207558.db2.gz XXSIUFGSVIDIMF-WOJBJXKFSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000574425946 505770416 /nfs/dbraw/zinc/77/04/16/505770416.db2.gz DFHYRRCDSGFMDF-NYUBLWNDSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CCCc2ccccc2)CC1 ZINC000135365879 495282919 /nfs/dbraw/zinc/28/29/19/495282919.db2.gz CPJRYSBSSJYFNP-JOCHJYFZSA-N 2 1 371.569 3.463 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000129728861 495287291 /nfs/dbraw/zinc/28/72/91/495287291.db2.gz NVPRWJGVCNONCM-UHFFFAOYSA-N 2 1 357.542 3.476 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124506351 495298985 /nfs/dbraw/zinc/29/89/85/495298985.db2.gz WWPAWKMESDBCEW-FCHUYYIVSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000124506351 495298986 /nfs/dbraw/zinc/29/89/86/495298986.db2.gz WWPAWKMESDBCEW-FCHUYYIVSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000124506351 495298989 /nfs/dbraw/zinc/29/89/89/495298989.db2.gz WWPAWKMESDBCEW-FCHUYYIVSA-N 2 1 371.569 3.383 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000105094416 495335782 /nfs/dbraw/zinc/33/57/82/495335782.db2.gz ZJFIHNILKHIGBQ-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP O=C(C[N@H+]1CCCCC[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000120315036 495350291 /nfs/dbraw/zinc/35/02/91/495350291.db2.gz BCSJQOSIDALWFS-NRFANRHFSA-N 2 1 355.526 3.347 20 0 FGADMP C[C@H](CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000574450896 505776367 /nfs/dbraw/zinc/77/63/67/505776367.db2.gz XLIJFFJEYBOTLA-CZAYHTPWSA-N 2 1 371.569 3.429 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)CC1(O)CCCC1)CC1(O)CCCC1 ZINC000120628722 495421819 /nfs/dbraw/zinc/42/18/19/495421819.db2.gz DNSVWUJGZLJYJO-UHFFFAOYSA-N 2 1 360.542 3.160 20 0 FGADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCOc2c(-c3ccccc3)cccc21)C1CC1 ZINC000580543612 505782363 /nfs/dbraw/zinc/78/23/63/505782363.db2.gz LMFBAAUUAIOWHC-GHTZIAJQSA-N 2 1 352.478 3.222 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000138157165 495456539 /nfs/dbraw/zinc/45/65/39/495456539.db2.gz IOIPPQTVQFDTQD-CBNMVNINSA-N 2 1 372.557 3.071 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106513842 495460076 /nfs/dbraw/zinc/46/00/76/495460076.db2.gz ZUBJBAJQAGEWLB-PZJWPPBQSA-N 2 1 370.541 3.140 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000106528754 495462776 /nfs/dbraw/zinc/46/27/76/495462776.db2.gz PTIDKHDFSMBZHY-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(Cc3nc4sc5c(c4c(N)n3)CCCC5)CC[C@@H]21 ZINC000140021654 495486933 /nfs/dbraw/zinc/48/69/33/495486933.db2.gz MMZKIUQJHMHJKY-HIFRSBDPSA-N 2 1 371.554 3.068 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000568827733 505786175 /nfs/dbraw/zinc/78/61/75/505786175.db2.gz FUCAEDBKUDUGFE-RTBURBONSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000568827733 505786177 /nfs/dbraw/zinc/78/61/77/505786177.db2.gz FUCAEDBKUDUGFE-RTBURBONSA-N 2 1 361.917 3.220 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158581041 495542890 /nfs/dbraw/zinc/54/28/90/495542890.db2.gz QIKDOLVJYFHPIN-XHSDSOJGSA-N 2 1 371.367 3.382 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000185386176 495558159 /nfs/dbraw/zinc/55/81/59/495558159.db2.gz MWAISZIFKOEHSA-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154266304 495561533 /nfs/dbraw/zinc/56/15/33/495561533.db2.gz QHWSHYALYNUSKE-YJBOKZPZSA-N 2 1 355.482 3.051 20 0 FGADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000158729584 495577416 /nfs/dbraw/zinc/57/74/16/495577416.db2.gz NOMRAYUNUJGPTQ-GBESFXJTSA-N 2 1 356.514 3.061 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173561437 495588806 /nfs/dbraw/zinc/58/88/06/495588806.db2.gz DWXIFLWGKHIVEZ-YLJYHZDGSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000154366645 495595020 /nfs/dbraw/zinc/59/50/20/495595020.db2.gz SRRKTAGWYVNKJM-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000182548017 495609772 /nfs/dbraw/zinc/60/97/72/495609772.db2.gz UOFSFQPHQXNTHU-GUDVDZBRSA-N 2 1 364.578 3.061 20 0 FGADMP c1nc(C2CCCCC2)sc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000568853334 505793196 /nfs/dbraw/zinc/79/31/96/505793196.db2.gz GHIDIONBUIEIPU-UHFFFAOYSA-N 2 1 362.587 3.497 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182577039 495621955 /nfs/dbraw/zinc/62/19/55/495621955.db2.gz GRZBQRBRWACTDA-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000176410774 495641220 /nfs/dbraw/zinc/64/12/20/495641220.db2.gz LQRDWWVYUXHZQA-IBGZPJMESA-N 2 1 372.557 3.060 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176413588 495642516 /nfs/dbraw/zinc/64/25/16/495642516.db2.gz NUJZEFVBCXWJMA-TZIWHRDSSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176413588 495642521 /nfs/dbraw/zinc/64/25/21/495642521.db2.gz NUJZEFVBCXWJMA-TZIWHRDSSA-N 2 1 373.516 3.125 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869574 505797218 /nfs/dbraw/zinc/79/72/18/505797218.db2.gz UITIKFALLACQSP-USXIJHARSA-N 2 1 369.431 3.056 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695560 495684277 /nfs/dbraw/zinc/68/42/77/495684277.db2.gz NXLKRYISZOGNIS-ROUUACIJSA-N 2 1 373.541 3.322 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695560 495684281 /nfs/dbraw/zinc/68/42/81/495684281.db2.gz NXLKRYISZOGNIS-ROUUACIJSA-N 2 1 373.541 3.322 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185701997 495687631 /nfs/dbraw/zinc/68/76/31/495687631.db2.gz YUOXFKKSJZKDBP-IRXDYDNUSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)Cc1ccccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185701997 495687636 /nfs/dbraw/zinc/68/76/36/495687636.db2.gz YUOXFKKSJZKDBP-IRXDYDNUSA-N 2 1 361.505 3.027 20 0 FGADMP OC1(c2cccnc2)CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000185702692 495688263 /nfs/dbraw/zinc/68/82/63/495688263.db2.gz ALOOFKCYKLFMGE-UHFFFAOYSA-N 2 1 365.521 3.466 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000159260987 495696400 /nfs/dbraw/zinc/69/64/00/495696400.db2.gz UNIIHZGBKVVNLS-ZDUSSCGKSA-N 2 1 368.319 3.240 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756883 495714302 /nfs/dbraw/zinc/71/43/02/495714302.db2.gz ACTTWQCHSHJQKG-MJGOQNOKSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756883 495714308 /nfs/dbraw/zinc/71/43/08/495714308.db2.gz ACTTWQCHSHJQKG-MJGOQNOKSA-N 2 1 355.526 3.208 20 0 FGADMP CN(C)c1ncccc1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000154758750 495719312 /nfs/dbraw/zinc/71/93/12/495719312.db2.gz NYZKFAVBONGPGL-UHFFFAOYSA-N 2 1 356.489 3.083 20 0 FGADMP C[N@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)CC1CC[NH+](C)CC1 ZINC000154789503 495728538 /nfs/dbraw/zinc/72/85/38/495728538.db2.gz HRGYVXYEXYDGTK-UHFFFAOYSA-N 2 1 359.495 3.312 20 0 FGADMP CC(C)c1nccn1CCC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000173902622 495739030 /nfs/dbraw/zinc/73/90/30/495739030.db2.gz ILCWXPPKGUGUPB-OAHLLOKOSA-N 2 1 360.527 3.021 20 0 FGADMP CC(C)c1nccn1CCC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000173902622 495739040 /nfs/dbraw/zinc/73/90/40/495739040.db2.gz ILCWXPPKGUGUPB-OAHLLOKOSA-N 2 1 360.527 3.021 20 0 FGADMP c1csc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)co2)c1 ZINC000173959412 495765104 /nfs/dbraw/zinc/76/51/04/495765104.db2.gz DGXVZQCPAYVJDS-UHFFFAOYSA-N 2 1 361.511 3.480 20 0 FGADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000174282918 495894146 /nfs/dbraw/zinc/89/41/46/495894146.db2.gz ATTIUOLTMUJWLF-AZUAARDMSA-N 2 1 373.541 3.406 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060778 495905766 /nfs/dbraw/zinc/90/57/66/495905766.db2.gz NELHAWVUPSXVPB-OHQAAIJDSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060778 495905770 /nfs/dbraw/zinc/90/57/70/495905770.db2.gz NELHAWVUPSXVPB-OHQAAIJDSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060778 495905775 /nfs/dbraw/zinc/90/57/75/495905775.db2.gz NELHAWVUPSXVPB-OHQAAIJDSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000177060778 495905780 /nfs/dbraw/zinc/90/57/80/495905780.db2.gz NELHAWVUPSXVPB-OHQAAIJDSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656388 495975160 /nfs/dbraw/zinc/97/51/60/495975160.db2.gz SIVQQRYBZCUZRI-ZDUSSCGKSA-N 2 1 372.340 3.444 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c(C)n1 ZINC000151893113 495984245 /nfs/dbraw/zinc/98/42/45/495984245.db2.gz AWUNYDMIWHHNOA-HTAPYJJXSA-N 2 1 367.541 3.123 20 0 FGADMP C[NH+](C)CCC[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000151933781 495997696 /nfs/dbraw/zinc/99/76/96/495997696.db2.gz NCANKXBEOJBISH-AWEZNQCLSA-N 2 1 374.266 3.046 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000155643069 496022856 /nfs/dbraw/zinc/02/28/56/496022856.db2.gz IVQHWTCKPZQKNZ-CVAIRZPRSA-N 2 1 371.550 3.337 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000155643069 496022862 /nfs/dbraw/zinc/02/28/62/496022862.db2.gz IVQHWTCKPZQKNZ-CVAIRZPRSA-N 2 1 371.550 3.337 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183556058 496029120 /nfs/dbraw/zinc/02/91/20/496029120.db2.gz LQLRPHSHXJMZTM-QFIPXVFZSA-N 2 1 370.516 3.173 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(Cl)c2cccnc12)C1CC[NH+](C)CC1 ZINC000177376269 496037611 /nfs/dbraw/zinc/03/76/11/496037611.db2.gz NXDVTBKMDOCSCL-UHFFFAOYSA-N 2 1 360.933 3.346 20 0 FGADMP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH+]ccc1N(C)C ZINC000183594711 496042121 /nfs/dbraw/zinc/04/21/21/496042121.db2.gz MPUHBZIXJQVDTH-IBGZPJMESA-N 2 1 366.509 3.132 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH+]ccc1N(C)C ZINC000183594711 496042125 /nfs/dbraw/zinc/04/21/25/496042125.db2.gz MPUHBZIXJQVDTH-IBGZPJMESA-N 2 1 366.509 3.132 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000183690503 496082127 /nfs/dbraw/zinc/08/21/27/496082127.db2.gz ZPDPIIHHCPTAHO-PKOBYXMFSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000183690503 496082133 /nfs/dbraw/zinc/08/21/33/496082133.db2.gz ZPDPIIHHCPTAHO-PKOBYXMFSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000177507563 496091604 /nfs/dbraw/zinc/09/16/04/496091604.db2.gz SQUPBNDXJDYLNM-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP CC1CC[NH+](Cc2ccc(NC(=O)CCCC[NH+]3CCOCC3)cc2)CC1 ZINC000171961199 496110434 /nfs/dbraw/zinc/11/04/34/496110434.db2.gz BSIYAQYPUNXKFR-UHFFFAOYSA-N 2 1 373.541 3.360 20 0 FGADMP COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(Br)c1 ZINC000577945345 505824330 /nfs/dbraw/zinc/82/43/30/505824330.db2.gz WQUGFPRCOMUTNC-PBHICJAKSA-N 2 1 353.304 3.374 20 0 FGADMP Cc1c([C@@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367751 496128913 /nfs/dbraw/zinc/12/89/13/496128913.db2.gz BUBIHEYTDNNRLP-UKRRQHHQSA-N 2 1 359.905 3.364 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000186787326 496151599 /nfs/dbraw/zinc/15/15/99/496151599.db2.gz SLKLUJXPOIIGKJ-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000186787326 496151606 /nfs/dbraw/zinc/15/16/06/496151606.db2.gz SLKLUJXPOIIGKJ-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000186787326 496151611 /nfs/dbraw/zinc/15/16/11/496151611.db2.gz SLKLUJXPOIIGKJ-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(Cc2ccco2)Cc2ccccc2)C1 ZINC000177838374 496217183 /nfs/dbraw/zinc/21/71/83/496217183.db2.gz VWMOWQWSULHLGB-FQEVSTJZSA-N 2 1 369.509 3.082 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)[nH+]c1 ZINC000172265304 496236128 /nfs/dbraw/zinc/23/61/28/496236128.db2.gz ZBQFPZKZERKKHL-GOSISDBHSA-N 2 1 360.546 3.089 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000152735257 496240425 /nfs/dbraw/zinc/24/04/25/496240425.db2.gz VWYNYDAMCGLUAU-SOAGJPPSSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000184233673 496297324 /nfs/dbraw/zinc/29/73/24/496297324.db2.gz FCLZUHWALUWPDL-AZUAARDMSA-N 2 1 357.542 3.455 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cncc(C)c2)CC1 ZINC000184282412 496318994 /nfs/dbraw/zinc/31/89/94/496318994.db2.gz UEFMMBGWGPTLLI-LJQANCHMSA-N 2 1 352.526 3.378 20 0 FGADMP C[C@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156831512 496343261 /nfs/dbraw/zinc/34/32/61/496343261.db2.gz MLJTVGNEVXRXQX-UTKZUKDTSA-N 2 1 357.542 3.442 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000162389595 496347077 /nfs/dbraw/zinc/34/70/77/496347077.db2.gz MEGBLNZBTIGZFW-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162412994 496348684 /nfs/dbraw/zinc/34/86/84/496348684.db2.gz KTHBUGKUGPGILF-TZIWHRDSSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162412994 496348693 /nfs/dbraw/zinc/34/86/93/496348693.db2.gz KTHBUGKUGPGILF-TZIWHRDSSA-N 2 1 374.573 3.299 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178193159 496364457 /nfs/dbraw/zinc/36/44/57/496364457.db2.gz WNSQMEVWWHDWSV-VQIMIIECSA-N 2 1 362.481 3.290 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000175465614 496403261 /nfs/dbraw/zinc/40/32/61/496403261.db2.gz FMFXOIGJDIRYQY-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000175465614 496403265 /nfs/dbraw/zinc/40/32/65/496403265.db2.gz FMFXOIGJDIRYQY-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000175465614 496403266 /nfs/dbraw/zinc/40/32/66/496403266.db2.gz FMFXOIGJDIRYQY-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000178330794 496414415 /nfs/dbraw/zinc/41/44/15/496414415.db2.gz OCXCZTFLWSUDJF-UWJYYQICSA-N 2 1 356.514 3.188 20 0 FGADMP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926110 505847125 /nfs/dbraw/zinc/84/71/25/505847125.db2.gz JMRCFIFUDQUANB-UWJYYQICSA-N 2 1 370.447 3.462 20 0 FGADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926110 505847130 /nfs/dbraw/zinc/84/71/30/505847130.db2.gz JMRCFIFUDQUANB-UWJYYQICSA-N 2 1 370.447 3.462 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)[NH+]1CCCC1 ZINC000157521622 496495475 /nfs/dbraw/zinc/49/54/75/496495475.db2.gz VVGXOVRNMYRPLJ-QFBILLFUSA-N 2 1 363.550 3.027 20 0 FGADMP COCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000163426749 496514729 /nfs/dbraw/zinc/51/47/29/496514729.db2.gz MVJCHWFMZUBXEL-KGLIPLIRSA-N 2 1 356.894 3.119 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cc(C)cc1C ZINC000157628240 496518121 /nfs/dbraw/zinc/51/81/21/496518121.db2.gz KBPQNAKBWKUUOZ-LJQANCHMSA-N 2 1 360.546 3.492 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOC[C@H]3CCCO3)CC2)cc1 ZINC000163492284 496523216 /nfs/dbraw/zinc/52/32/16/496523216.db2.gz BBKUURHNXJVAPT-OAQYLSRUSA-N 2 1 364.505 3.008 20 0 FGADMP C[C@@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1CC[NH2+]CC1 ZINC000178662722 496533175 /nfs/dbraw/zinc/53/31/75/496533175.db2.gz YHPJBZBBTJTZOZ-KSSFIOAISA-N 2 1 351.922 3.085 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000163629255 496540038 /nfs/dbraw/zinc/54/00/38/496540038.db2.gz MEFGTMMZEWNZNN-JOCHJYFZSA-N 2 1 354.494 3.421 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@H](OCC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000181862625 496576393 /nfs/dbraw/zinc/57/63/93/496576393.db2.gz CAGIQILCUKHVHN-OALUTQOASA-N 2 1 360.546 3.492 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000164573560 496620673 /nfs/dbraw/zinc/62/06/73/496620673.db2.gz XSUYUZRBGBRFBJ-UWJYYQICSA-N 2 1 351.494 3.427 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164785535 496632201 /nfs/dbraw/zinc/63/22/01/496632201.db2.gz XTZXPNIKSMKIJS-NRFANRHFSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000182012542 496634665 /nfs/dbraw/zinc/63/46/65/496634665.db2.gz RJSWWRLNLQFGJW-HNAYVOBHSA-N 2 1 359.901 3.410 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000165150014 496649630 /nfs/dbraw/zinc/64/96/30/496649630.db2.gz IGIWDCYRJGVXNG-RBUKOAKNSA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000165150014 496649637 /nfs/dbraw/zinc/64/96/37/496649637.db2.gz IGIWDCYRJGVXNG-RBUKOAKNSA-N 2 1 371.550 3.337 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158231934 496656236 /nfs/dbraw/zinc/65/62/36/496656236.db2.gz JVSOLXFYFNBWEB-ZIAGYGMSSA-N 2 1 368.319 3.098 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000179122414 496682016 /nfs/dbraw/zinc/68/20/16/496682016.db2.gz HHMWMWOJWOWXPL-LEWJYISDSA-N 2 1 372.557 3.243 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414700 496686882 /nfs/dbraw/zinc/68/68/82/496686882.db2.gz LRJUBHXYLGRACW-VSKRKVRLSA-N 2 1 369.553 3.388 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182146300 496688195 /nfs/dbraw/zinc/68/81/95/496688195.db2.gz PFHWQUWRLLXXKB-UHFFFAOYSA-N 2 1 368.525 3.342 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000182161789 496692562 /nfs/dbraw/zinc/69/25/62/496692562.db2.gz WYLSDCXZSJXTIA-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP C[N@@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC1CC[NH+](C)CC1 ZINC000182164929 496693109 /nfs/dbraw/zinc/69/31/09/496693109.db2.gz QMERGRADHAISAO-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[N@H+](Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1)CC1CC[NH+](C)CC1 ZINC000182164929 496693115 /nfs/dbraw/zinc/69/31/15/496693115.db2.gz QMERGRADHAISAO-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882059 505860273 /nfs/dbraw/zinc/86/02/73/505860273.db2.gz JAIOHGXTFFMBHQ-SFTDATJTSA-N 2 1 368.525 3.355 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)c1ccco1 ZINC000188172832 496708428 /nfs/dbraw/zinc/70/84/28/496708428.db2.gz ZTFMCFOFLRQHOX-QGZVFWFLSA-N 2 1 364.534 3.226 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495375 496713154 /nfs/dbraw/zinc/71/31/54/496713154.db2.gz IJROFDQZWVHDDC-DYVFJYSZSA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495375 496713158 /nfs/dbraw/zinc/71/31/58/496713158.db2.gz IJROFDQZWVHDDC-DYVFJYSZSA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@@H]21 ZINC000158495375 496713163 /nfs/dbraw/zinc/71/31/63/496713163.db2.gz IJROFDQZWVHDDC-DYVFJYSZSA-N 2 1 353.869 3.224 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499814 496714384 /nfs/dbraw/zinc/71/43/84/496714384.db2.gz ILXCTYRNMXNZBL-CTNGQTDRSA-N 2 1 367.493 3.126 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499814 496714385 /nfs/dbraw/zinc/71/43/85/496714385.db2.gz ILXCTYRNMXNZBL-CTNGQTDRSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499814 496714386 /nfs/dbraw/zinc/71/43/86/496714386.db2.gz ILXCTYRNMXNZBL-CTNGQTDRSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@@H]21 ZINC000158499814 496714389 /nfs/dbraw/zinc/71/43/89/496714389.db2.gz ILXCTYRNMXNZBL-CTNGQTDRSA-N 2 1 367.493 3.126 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185320361 496728635 /nfs/dbraw/zinc/72/86/35/496728635.db2.gz BUDXATVPKLEQFM-GOSISDBHSA-N 2 1 360.546 3.012 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000246947832 496732677 /nfs/dbraw/zinc/73/26/77/496732677.db2.gz NVXVBAHMTOABGP-UYAOXDASSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000247001908 496748466 /nfs/dbraw/zinc/74/84/66/496748466.db2.gz QCAAZTQYUYOIDI-GJZGRUSLSA-N 2 1 369.912 3.100 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000247107387 496780438 /nfs/dbraw/zinc/78/04/38/496780438.db2.gz QIKDOLVJYFHPIN-OWCLPIDISA-N 2 1 371.367 3.382 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000247198802 496802727 /nfs/dbraw/zinc/80/27/27/496802727.db2.gz WDNVFDJJLOFGBM-DLBZAZTESA-N 2 1 368.477 3.487 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000247198802 496802730 /nfs/dbraw/zinc/80/27/30/496802730.db2.gz WDNVFDJJLOFGBM-DLBZAZTESA-N 2 1 368.477 3.487 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000247214088 496806519 /nfs/dbraw/zinc/80/65/19/496806519.db2.gz XEYQUTZCJKMYRF-IAGOWNOFSA-N 2 1 365.949 3.399 20 0 FGADMP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268864710 496808045 /nfs/dbraw/zinc/80/80/45/496808045.db2.gz CKBHXISYENVKFX-HXUWFJFHSA-N 2 1 351.494 3.461 20 0 FGADMP Brc1ccc2c(NCC[N@@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000188492859 496808528 /nfs/dbraw/zinc/80/85/28/496808528.db2.gz MUYIKCKHDFHSSW-UHFFFAOYSA-N 2 1 350.260 3.132 20 0 FGADMP Brc1ccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000188492859 496808536 /nfs/dbraw/zinc/80/85/36/496808536.db2.gz MUYIKCKHDFHSSW-UHFFFAOYSA-N 2 1 350.260 3.132 20 0 FGADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268865111 496808566 /nfs/dbraw/zinc/80/85/66/496808566.db2.gz ZWROQQQBAYMGAJ-JTSKRJEESA-N 2 1 363.505 3.097 20 0 FGADMP CCOc1ccc([C@H](CC)[NH2+]CCC[NH+]2CCC(O)CC2)cc1OCC ZINC000268882213 496812581 /nfs/dbraw/zinc/81/25/81/496812581.db2.gz XXOMAGPKLGVTGB-IBGZPJMESA-N 2 1 364.530 3.372 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191574061 496817895 /nfs/dbraw/zinc/81/78/95/496817895.db2.gz SSWJDKJEHFYALO-HSZRJFAPSA-N 2 1 352.522 3.195 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000247325966 496835336 /nfs/dbraw/zinc/83/53/36/496835336.db2.gz XJELSTSHGXOUNL-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000247358840 496844515 /nfs/dbraw/zinc/84/45/15/496844515.db2.gz QEELZBBKESWTFJ-CZTZKLFOSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000247358840 496844518 /nfs/dbraw/zinc/84/45/18/496844518.db2.gz QEELZBBKESWTFJ-CZTZKLFOSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000247358840 496844521 /nfs/dbraw/zinc/84/45/21/496844521.db2.gz QEELZBBKESWTFJ-CZTZKLFOSA-N 2 1 360.542 3.105 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000264247443 496851314 /nfs/dbraw/zinc/85/13/14/496851314.db2.gz XAHQECGUVOJERC-KRWDZBQOSA-N 2 1 355.320 3.287 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000264247443 496851322 /nfs/dbraw/zinc/85/13/22/496851322.db2.gz XAHQECGUVOJERC-KRWDZBQOSA-N 2 1 355.320 3.287 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000269042704 496856551 /nfs/dbraw/zinc/85/65/51/496856551.db2.gz UJHLQWGKRMLWDS-MRXNPFEDSA-N 2 1 362.514 3.388 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432337 496857999 /nfs/dbraw/zinc/85/79/99/496857999.db2.gz WQEBATIQTAYKMR-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432337 496858005 /nfs/dbraw/zinc/85/80/05/496858005.db2.gz WQEBATIQTAYKMR-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432337 496858012 /nfs/dbraw/zinc/85/80/12/496858012.db2.gz WQEBATIQTAYKMR-ZJOUEHCJSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(OC(F)F)cc3)C2)CC1 ZINC000264352734 496878557 /nfs/dbraw/zinc/87/85/57/496878557.db2.gz CQTWBNMYYGNLFX-NVXWUHKLSA-N 2 1 353.457 3.061 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(Br)c1O ZINC000273716292 496882852 /nfs/dbraw/zinc/88/28/52/496882852.db2.gz LPAOUABZHCXYRF-LLVKDONJSA-N 2 1 368.275 3.094 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000269258904 496906030 /nfs/dbraw/zinc/90/60/30/496906030.db2.gz LKYRCCYUMRGBNK-KSCDAYEDSA-N 2 1 365.521 3.349 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000273816561 496918008 /nfs/dbraw/zinc/91/80/08/496918008.db2.gz CCPULDYUMIJKRY-QWRGUYRKSA-N 2 1 355.255 3.475 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccccc4Cl)C3=O)CC[C@@H]21 ZINC000247942630 496929849 /nfs/dbraw/zinc/92/98/49/496929849.db2.gz DEFUGEGXJBENEV-AYBZRNKSSA-N 2 1 361.917 3.252 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971667 496936437 /nfs/dbraw/zinc/93/64/37/496936437.db2.gz HITLBRSBWUIGKS-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971667 496936441 /nfs/dbraw/zinc/93/64/41/496936441.db2.gz HITLBRSBWUIGKS-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971667 496936444 /nfs/dbraw/zinc/93/64/44/496936444.db2.gz HITLBRSBWUIGKS-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971667 496936449 /nfs/dbraw/zinc/93/64/49/496936449.db2.gz HITLBRSBWUIGKS-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971667 496936451 /nfs/dbraw/zinc/93/64/51/496936451.db2.gz HITLBRSBWUIGKS-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000247980890 496937218 /nfs/dbraw/zinc/93/72/18/496937218.db2.gz HLVRCDYJWVQJQF-FGZHOGPDSA-N 2 1 363.505 3.458 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000248198842 496971672 /nfs/dbraw/zinc/97/16/72/496971672.db2.gz XYLHDMKIRJEWNY-FRQCXROJSA-N 2 1 351.560 3.368 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248198842 496971676 /nfs/dbraw/zinc/97/16/76/496971676.db2.gz XYLHDMKIRJEWNY-FRQCXROJSA-N 2 1 351.560 3.368 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)Nc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000248270372 496976415 /nfs/dbraw/zinc/97/64/15/496976415.db2.gz PYDCXFAXMWPVOA-CYBMUJFWSA-N 2 1 361.490 3.152 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248390159 496991416 /nfs/dbraw/zinc/99/14/16/496991416.db2.gz BGRDTBAYVPUNNM-IPMKNSEASA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390159 496991418 /nfs/dbraw/zinc/99/14/18/496991418.db2.gz BGRDTBAYVPUNNM-IPMKNSEASA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390159 496991419 /nfs/dbraw/zinc/99/14/19/496991419.db2.gz BGRDTBAYVPUNNM-IPMKNSEASA-N 2 1 364.578 3.155 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264842134 496995753 /nfs/dbraw/zinc/99/57/53/496995753.db2.gz AWMKUTFCWAVTCS-NRFANRHFSA-N 2 1 357.542 3.089 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000248399218 496996350 /nfs/dbraw/zinc/99/63/50/496996350.db2.gz ONKVZQHUFNCKCV-LEWJYISDSA-N 2 1 351.494 3.025 20 0 FGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248405050 496997912 /nfs/dbraw/zinc/99/79/12/496997912.db2.gz QXGPTDTUSTVUDG-CEMLEFRQSA-N 2 1 352.526 3.427 20 0 FGADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403604 496998514 /nfs/dbraw/zinc/99/85/14/496998514.db2.gz OTRNGAUXDYYQFW-YQVWRLOYSA-N 2 1 366.594 3.305 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248407222 496999977 /nfs/dbraw/zinc/99/99/77/496999977.db2.gz UDFWIQALGNLCOQ-FHWLQOOXSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000248407222 496999979 /nfs/dbraw/zinc/99/99/79/496999979.db2.gz UDFWIQALGNLCOQ-FHWLQOOXSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000248407222 496999981 /nfs/dbraw/zinc/99/99/81/496999981.db2.gz UDFWIQALGNLCOQ-FHWLQOOXSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000572056701 505879574 /nfs/dbraw/zinc/87/95/74/505879574.db2.gz YEYCXNQXGZXORL-MRXNPFEDSA-N 2 1 363.933 3.010 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000269888009 497018687 /nfs/dbraw/zinc/01/86/87/497018687.db2.gz VDPRMMMYLQVJGA-JOCHJYFZSA-N 2 1 359.558 3.024 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C12CCCCC2 ZINC000248463701 497020642 /nfs/dbraw/zinc/02/06/42/497020642.db2.gz ZCAZHTKIXFDSLO-YPAWHYETSA-N 2 1 372.553 3.471 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248573130 497044156 /nfs/dbraw/zinc/04/41/56/497044156.db2.gz MQBRGXXWYSUJOX-FTEYMNFISA-N 2 1 357.542 3.495 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248573130 497044160 /nfs/dbraw/zinc/04/41/60/497044160.db2.gz MQBRGXXWYSUJOX-FTEYMNFISA-N 2 1 357.542 3.495 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000227652563 497091098 /nfs/dbraw/zinc/09/10/98/497091098.db2.gz LRUNSZKJZLDSJG-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000227652563 497091103 /nfs/dbraw/zinc/09/11/03/497091103.db2.gz LRUNSZKJZLDSJG-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP CC(C)N1CCC[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000248735027 497093245 /nfs/dbraw/zinc/09/32/45/497093245.db2.gz KQGDYCXSPFXYKB-JYRKZWEQSA-N 2 1 357.542 3.132 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248748888 497097359 /nfs/dbraw/zinc/09/73/59/497097359.db2.gz FXOLUGIETRMGQZ-CIAFKFPVSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248748888 497097364 /nfs/dbraw/zinc/09/73/64/497097364.db2.gz FXOLUGIETRMGQZ-CIAFKFPVSA-N 2 1 370.537 3.215 20 0 FGADMP CCOC(=O)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828301 497112805 /nfs/dbraw/zinc/11/28/05/497112805.db2.gz GTSPNQWSAKCTJB-WTGUMLROSA-N 2 1 357.498 3.002 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)cc12 ZINC000236669367 497129524 /nfs/dbraw/zinc/12/95/24/497129524.db2.gz ALSGVSSIQQCVGX-UHFFFAOYSA-N 2 1 351.498 3.407 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278497991 497135625 /nfs/dbraw/zinc/13/56/25/497135625.db2.gz QFTLVWOSOBOCCH-GIVPXCGWSA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278497991 497135628 /nfs/dbraw/zinc/13/56/28/497135628.db2.gz QFTLVWOSOBOCCH-GIVPXCGWSA-N 2 1 367.541 3.032 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000236803997 497148565 /nfs/dbraw/zinc/14/85/65/497148565.db2.gz ADZOPEXJRWMQOZ-RTWAWAEBSA-N 3 1 358.574 3.181 20 0 FGADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1ccc(F)cc1 ZINC000265673370 497158716 /nfs/dbraw/zinc/15/87/16/497158716.db2.gz XJQIUNREGNLAOC-NRFANRHFSA-N 2 1 369.484 3.454 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000265704784 497164530 /nfs/dbraw/zinc/16/45/30/497164530.db2.gz AKLCGSKPTKZZNO-WSTZPKSXSA-N 2 1 360.546 3.021 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000249107334 497167837 /nfs/dbraw/zinc/16/78/37/497167837.db2.gz VNWVSBRZJRFMIS-OQGULXLBSA-N 2 1 350.528 3.452 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000249107334 497167838 /nfs/dbraw/zinc/16/78/38/497167838.db2.gz VNWVSBRZJRFMIS-OQGULXLBSA-N 2 1 350.528 3.452 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC34CCCC4)c2)C1 ZINC000249108989 497167860 /nfs/dbraw/zinc/16/78/60/497167860.db2.gz QVLYGMXRCFMLEL-PMACEKPBSA-N 2 1 355.526 3.196 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000249224758 497182864 /nfs/dbraw/zinc/18/28/64/497182864.db2.gz GQCPGPHIUOZYOZ-LAUBAEHRSA-N 2 1 373.541 3.069 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261430 497184206 /nfs/dbraw/zinc/18/42/06/497184206.db2.gz HWSSMOXJIPXPKE-SUMWQHHRSA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261430 497184210 /nfs/dbraw/zinc/18/42/10/497184210.db2.gz HWSSMOXJIPXPKE-SUMWQHHRSA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)CC[C@H]21 ZINC000249261430 497184216 /nfs/dbraw/zinc/18/42/16/497184216.db2.gz HWSSMOXJIPXPKE-SUMWQHHRSA-N 2 1 371.294 3.383 20 0 FGADMP C[C@@H](CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237299126 497216441 /nfs/dbraw/zinc/21/64/41/497216441.db2.gz ISZUQKCLBIHTRT-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237399326 497231253 /nfs/dbraw/zinc/23/12/53/497231253.db2.gz VSIFVZUHQOVERO-OXQOHEQNSA-N 2 1 353.466 3.108 20 0 FGADMP O=C(CN1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1cccc(F)c1 ZINC000278852230 497242538 /nfs/dbraw/zinc/24/25/38/497242538.db2.gz KHFXCAYUILBFTG-UHFFFAOYSA-N 2 1 356.445 3.177 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000266115043 497259572 /nfs/dbraw/zinc/25/95/72/497259572.db2.gz WCGXQKIOKWEJNU-UHFFFAOYSA-N 2 1 354.498 3.388 20 0 FGADMP OCC[C@@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@H]2CCO)cc1 ZINC000250238735 497264347 /nfs/dbraw/zinc/26/43/47/497264347.db2.gz GAAMHSIVOXEZCN-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000189872852 497275859 /nfs/dbraw/zinc/27/58/59/497275859.db2.gz PYVQPXFXAMSZML-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000237753143 497286559 /nfs/dbraw/zinc/28/65/59/497286559.db2.gz WVKAOYFRBJDFLA-LJQANCHMSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000279011250 497302988 /nfs/dbraw/zinc/30/29/88/497302988.db2.gz SXIMAJHVAPSHPR-CABCVRRESA-N 2 1 353.470 3.080 20 0 FGADMP C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275392068 497311207 /nfs/dbraw/zinc/31/12/07/497311207.db2.gz COSIKWBHCREUHU-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000193242435 497332254 /nfs/dbraw/zinc/33/22/54/497332254.db2.gz QHODBSMULQFQEK-BGYRXZFFSA-N 2 1 371.569 3.045 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)CC[N@H+]1C ZINC000279192708 497362864 /nfs/dbraw/zinc/36/28/64/497362864.db2.gz LQWNSFHKANGLIU-VDZJLULYSA-N 2 1 363.933 3.323 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000193528836 497404118 /nfs/dbraw/zinc/40/41/18/497404118.db2.gz ZFHOFTWTFCHOQL-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@H](NC(=O)[C@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261585062 497416167 /nfs/dbraw/zinc/41/61/67/497416167.db2.gz IFYJXGGEBCJGFN-DZFGPLHGSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000261573460 497416225 /nfs/dbraw/zinc/41/62/25/497416225.db2.gz APSJUSOSTPLNCI-IOMROCGXSA-N 2 1 351.494 3.055 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000261826644 497457803 /nfs/dbraw/zinc/45/78/03/497457803.db2.gz NXAULELSMKWRPK-NRFANRHFSA-N 2 1 357.542 3.266 20 0 FGADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccccc1 ZINC000245579412 497463852 /nfs/dbraw/zinc/46/38/52/497463852.db2.gz IKAAKSAMMZGFKU-GIVPXCGWSA-N 2 1 368.525 3.322 20 0 FGADMP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)oc21 ZINC000271854465 497470850 /nfs/dbraw/zinc/47/08/50/497470850.db2.gz JDMRCZXUGYOJRG-BMGDILEWSA-N 2 1 358.482 3.470 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261898625 497470957 /nfs/dbraw/zinc/47/09/57/497470957.db2.gz UUARMJHQXVMJPO-APWZRJJASA-N 2 1 363.933 3.200 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccncc2)n1 ZINC000279589302 497480615 /nfs/dbraw/zinc/48/06/15/497480615.db2.gz CJLNOQPIFWADEN-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c(-c2ccncc2)n1 ZINC000279589302 497480621 /nfs/dbraw/zinc/48/06/21/497480621.db2.gz CJLNOQPIFWADEN-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccncc2)n1 ZINC000279589302 497480626 /nfs/dbraw/zinc/48/06/26/497480626.db2.gz CJLNOQPIFWADEN-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c(-c2ccncc2)n1 ZINC000279589302 497480631 /nfs/dbraw/zinc/48/06/31/497480631.db2.gz CJLNOQPIFWADEN-OYRHEFFESA-N 2 1 373.504 3.046 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000267071922 497480679 /nfs/dbraw/zinc/48/06/79/497480679.db2.gz ZBYMZCJJABMISP-IBGZPJMESA-N 2 1 370.472 3.310 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@H]2CCCO2)C3)cc1 ZINC000245650381 497488609 /nfs/dbraw/zinc/48/86/09/497488609.db2.gz CIJIRKCQZYAJNI-YUMYIRISSA-N 2 1 358.526 3.357 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810551 497488939 /nfs/dbraw/zinc/48/89/39/497488939.db2.gz PKMFIHYYVIYGCJ-UNMCSNQZSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810551 497488945 /nfs/dbraw/zinc/48/89/45/497488945.db2.gz PKMFIHYYVIYGCJ-UNMCSNQZSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810551 497488947 /nfs/dbraw/zinc/48/89/47/497488947.db2.gz PKMFIHYYVIYGCJ-UNMCSNQZSA-N 2 1 365.521 3.318 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262002253 497489873 /nfs/dbraw/zinc/48/98/73/497489873.db2.gz UEQGYMHRTYKMAP-BBRMVZONSA-N 2 1 370.278 3.428 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262002253 497489877 /nfs/dbraw/zinc/48/98/77/497489877.db2.gz UEQGYMHRTYKMAP-BBRMVZONSA-N 2 1 370.278 3.428 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000245671745 497495422 /nfs/dbraw/zinc/49/54/22/497495422.db2.gz HLPWQAVQHNQLMJ-BXXSPATCSA-N 2 1 350.506 3.375 20 0 FGADMP C[C@@]1(C[N@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080888 497504622 /nfs/dbraw/zinc/50/46/22/497504622.db2.gz TTZSGCKVBILMTH-DLBZAZTESA-N 2 1 352.320 3.325 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])Cc2ccccc2)C1 ZINC000262079138 497505360 /nfs/dbraw/zinc/50/53/60/497505360.db2.gz AQCBGBICVKFFNM-PGRDOPGGSA-N 2 1 365.521 3.105 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CC[C@@H]2C)C[C@H]1n1ccnc1 ZINC000245706981 497511423 /nfs/dbraw/zinc/51/14/23/497511423.db2.gz SFCNCYKKBPSQIB-FUHIMQAGSA-N 2 1 352.482 3.134 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC[C@H]21 ZINC000245723845 497516102 /nfs/dbraw/zinc/51/61/02/497516102.db2.gz BDBXLWWWOQRKHK-FSPWUOQZSA-N 2 1 365.880 3.001 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000267314404 497524064 /nfs/dbraw/zinc/52/40/64/497524064.db2.gz CJTJLPGKZAUEFL-ZFMNYDKASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000267314404 497524068 /nfs/dbraw/zinc/52/40/68/497524068.db2.gz CJTJLPGKZAUEFL-ZFMNYDKASA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000267314404 497524072 /nfs/dbraw/zinc/52/40/72/497524072.db2.gz CJTJLPGKZAUEFL-ZFMNYDKASA-N 2 1 372.557 3.021 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC2=[NH+]CCCN2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000262277937 497533148 /nfs/dbraw/zinc/53/31/48/497533148.db2.gz KDRXWUVVQJBRPN-HOCLYGCPSA-N 2 1 354.420 3.027 20 0 FGADMP c1c[nH]c([C@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](c4ncc[nH]4)C3)C2)n1 ZINC000267462434 497558502 /nfs/dbraw/zinc/55/85/02/497558502.db2.gz VMKPBDYVCGKNOD-OALUTQOASA-N 2 1 370.545 3.362 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000262656038 497592894 /nfs/dbraw/zinc/59/28/94/497592894.db2.gz MIMUULQJDLLERD-RXVVDRJESA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)cc1 ZINC000262656038 497592897 /nfs/dbraw/zinc/59/28/97/497592897.db2.gz MIMUULQJDLLERD-RXVVDRJESA-N 2 1 351.494 3.118 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000262659012 497593537 /nfs/dbraw/zinc/59/35/37/497593537.db2.gz FDLZYWMVYUWYOJ-FVJLSDCUSA-N 2 1 367.493 3.354 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000262670163 497596084 /nfs/dbraw/zinc/59/60/84/497596084.db2.gz RHCLPBANUKSOSI-APWZRJJASA-N 2 1 357.523 3.085 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183063 497596409 /nfs/dbraw/zinc/59/64/09/497596409.db2.gz MLKJWVILSZPBDE-WOJBJXKFSA-N 2 1 374.573 3.174 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276579036 497604272 /nfs/dbraw/zinc/60/42/72/497604272.db2.gz LJQKDUORPUFIJM-GZLOKEMUSA-N 2 1 362.836 3.025 20 0 FGADMP CN1CC[C@H](CNC(=O)C=Cc2c[nH]cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276579036 497604281 /nfs/dbraw/zinc/60/42/81/497604281.db2.gz LJQKDUORPUFIJM-GZLOKEMUSA-N 2 1 362.836 3.025 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc(N(C)C)c3C)CC2)CC1 ZINC000578336675 505917557 /nfs/dbraw/zinc/91/75/57/505917557.db2.gz MIJOULRUTCXZBV-UHFFFAOYSA-N 2 1 372.557 3.196 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194413983 497658754 /nfs/dbraw/zinc/65/87/54/497658754.db2.gz AZDPPZKOIIREEC-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194413983 497658758 /nfs/dbraw/zinc/65/87/58/497658758.db2.gz AZDPPZKOIIREEC-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194413983 497658765 /nfs/dbraw/zinc/65/87/65/497658765.db2.gz AZDPPZKOIIREEC-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000268051507 497668427 /nfs/dbraw/zinc/66/84/27/497668427.db2.gz VKNGXWNKBSLDQZ-SFHVURJKSA-N 2 1 371.550 3.104 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268049210 497668498 /nfs/dbraw/zinc/66/84/98/497668498.db2.gz ZJRDHVPKURTFOF-GOSISDBHSA-N 2 1 364.534 3.007 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246269197 497679042 /nfs/dbraw/zinc/67/90/42/497679042.db2.gz AIWLPQMSEYHIHU-RTBURBONSA-N 2 1 374.573 3.393 20 0 FGADMP C[C@H](C(=O)NCc1cccs1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246276108 497681197 /nfs/dbraw/zinc/68/11/97/497681197.db2.gz BONMTFYBCXSWGE-KZNAEPCWSA-N 2 1 363.571 3.339 20 0 FGADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000581158914 505923021 /nfs/dbraw/zinc/92/30/21/505923021.db2.gz MHJFJZSMFMKTPH-MRXNPFEDSA-N 2 1 368.363 3.122 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705715 497707413 /nfs/dbraw/zinc/70/74/13/497707413.db2.gz GMUJLTCWMLYYCA-CRAIPNDOSA-N 2 1 364.559 3.081 20 0 FGADMP Cc1cccc(N2CCC([NH2+]Cc3ccc(N(C)C(C)C)nc3)CC2)[nH+]1 ZINC000191103636 497710737 /nfs/dbraw/zinc/71/07/37/497710737.db2.gz SVOURORJDFHYJO-UHFFFAOYSA-N 2 1 353.514 3.388 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cnn1C(C)C ZINC000191129331 497718932 /nfs/dbraw/zinc/71/89/32/497718932.db2.gz AHDTXOWCTQFUTO-KRWDZBQOSA-N 2 1 356.514 3.455 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)C1 ZINC000246402926 497721628 /nfs/dbraw/zinc/72/16/28/497721628.db2.gz KADRFQKNWLKDDA-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246409124 497723750 /nfs/dbraw/zinc/72/37/50/497723750.db2.gz DYTCHRQKVKHOJN-GFOJFJKKSA-N 2 1 372.557 3.212 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000277164252 497761964 /nfs/dbraw/zinc/76/19/64/497761964.db2.gz KJHVSTUVUAICGK-KRWDZBQOSA-N 2 1 372.513 3.044 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccccc1OC ZINC000277164252 497761971 /nfs/dbraw/zinc/76/19/71/497761971.db2.gz KJHVSTUVUAICGK-KRWDZBQOSA-N 2 1 372.513 3.044 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000246526410 497764400 /nfs/dbraw/zinc/76/44/00/497764400.db2.gz UNELHFBQSFPROL-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](COCC(F)(F)F)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000272965494 497772583 /nfs/dbraw/zinc/77/25/83/497772583.db2.gz QXNCIQHRHGQOLG-CQSZACIVSA-N 2 1 362.411 3.390 20 0 FGADMP Fc1ccc(-n2cc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000246850448 497816382 /nfs/dbraw/zinc/81/63/82/497816382.db2.gz SCHBQMQFIKWSPR-LAUBAEHRSA-N 2 1 354.473 3.460 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364225871 497847730 /nfs/dbraw/zinc/84/77/30/497847730.db2.gz JPXPQLCQJZGPSG-UHFFFAOYSA-N 2 1 360.542 3.416 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC2(CCOCC2)CC1 ZINC000364225871 497847739 /nfs/dbraw/zinc/84/77/39/497847739.db2.gz JPXPQLCQJZGPSG-UHFFFAOYSA-N 2 1 360.542 3.416 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCOC2(CCOCC2)CC1 ZINC000364225871 497847747 /nfs/dbraw/zinc/84/77/47/497847747.db2.gz JPXPQLCQJZGPSG-UHFFFAOYSA-N 2 1 360.542 3.416 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000364225871 497847752 /nfs/dbraw/zinc/84/77/52/497847752.db2.gz JPXPQLCQJZGPSG-UHFFFAOYSA-N 2 1 360.542 3.416 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCOC2(CCOCC2)CC1 ZINC000364225871 497847759 /nfs/dbraw/zinc/84/77/59/497847759.db2.gz JPXPQLCQJZGPSG-UHFFFAOYSA-N 2 1 360.542 3.416 20 0 FGADMP COc1cc(C)ccc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000572332428 505943388 /nfs/dbraw/zinc/94/33/88/505943388.db2.gz LHHWRFGAMJMABF-SFHVURJKSA-N 2 1 359.539 3.143 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc(OCC[NH3+])cc2)cc1)C1CC1 ZINC000569481632 505945680 /nfs/dbraw/zinc/94/56/80/505945680.db2.gz MQRQKYLLEREAQJ-UHFFFAOYSA-N 2 1 353.466 3.261 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[C@H](C)OCc3ccccc3)C2)CC1 ZINC000572356134 505948650 /nfs/dbraw/zinc/94/86/50/505948650.db2.gz KZTZWXXIEPBUDO-UNMCSNQZSA-N 2 1 359.558 3.082 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(Br)s1 ZINC000569526684 505955330 /nfs/dbraw/zinc/95/53/30/505955330.db2.gz AXEYZUFTIRONRL-UHFFFAOYSA-N 2 1 370.316 3.136 20 0 FGADMP CCn1ccnc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000296280142 497983100 /nfs/dbraw/zinc/98/31/00/497983100.db2.gz MXDFWOAMUBWMEU-KRWDZBQOSA-N 2 1 369.513 3.277 20 0 FGADMP CCN(CC)C(=O)C[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301171183 497983344 /nfs/dbraw/zinc/98/33/44/497983344.db2.gz XCKLYYSWRVNOHD-UHFFFAOYSA-N 2 1 374.916 3.269 20 0 FGADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301171183 497983346 /nfs/dbraw/zinc/98/33/46/497983346.db2.gz XCKLYYSWRVNOHD-UHFFFAOYSA-N 2 1 374.916 3.269 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H](C[NH+](C)C)C3)c2c1C ZINC000301240630 498015982 /nfs/dbraw/zinc/01/59/82/498015982.db2.gz FVTIXPNOCYRSGI-MRXNPFEDSA-N 2 1 373.570 3.292 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364551832 498019988 /nfs/dbraw/zinc/01/99/88/498019988.db2.gz UGYBUFYDOODADE-GOSISDBHSA-N 2 1 360.546 3.293 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C2 ZINC000364563063 498024727 /nfs/dbraw/zinc/02/47/27/498024727.db2.gz CRWBBRDZGHJISG-LPHOPBHVSA-N 2 1 354.498 3.057 20 0 FGADMP COc1cccc(OC)c1OCCCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000578613591 505980819 /nfs/dbraw/zinc/98/08/19/505980819.db2.gz VQQDNOOWKNVFQB-UHFFFAOYSA-N 2 1 362.514 3.423 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000578613591 505980820 /nfs/dbraw/zinc/98/08/20/505980820.db2.gz VQQDNOOWKNVFQB-UHFFFAOYSA-N 2 1 362.514 3.423 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000578613591 505980822 /nfs/dbraw/zinc/98/08/22/505980822.db2.gz VQQDNOOWKNVFQB-UHFFFAOYSA-N 2 1 362.514 3.423 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285521229 498115772 /nfs/dbraw/zinc/11/57/72/498115772.db2.gz BWBGJULTZPHAAV-HNNXBMFYSA-N 2 1 361.511 3.189 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364771596 498135368 /nfs/dbraw/zinc/13/53/68/498135368.db2.gz OWNLDNZMKNURDJ-CTNGQTDRSA-N 2 1 374.573 3.310 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285613888 498147078 /nfs/dbraw/zinc/14/70/78/498147078.db2.gz KIQHFKWASHZIPJ-INIZCTEOSA-N 2 1 365.477 3.333 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2c(c1)c(C)nn2C ZINC000289440440 498147448 /nfs/dbraw/zinc/14/74/48/498147448.db2.gz LWECRHCOCGRURE-UHFFFAOYSA-N 2 1 351.498 3.360 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)CCC[NH+]2CCCC2)cc1)[NH+]1CCOCC1 ZINC000281437484 498150805 /nfs/dbraw/zinc/15/08/05/498150805.db2.gz RLEVYAMNFMAHQA-GOSISDBHSA-N 2 1 374.529 3.029 20 0 FGADMP O[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@H](O)CC3)c2)CC1 ZINC000296709279 498163791 /nfs/dbraw/zinc/16/37/91/498163791.db2.gz LTBPGRGFMIJPIM-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP O[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H](O)CC3)c2)CC1 ZINC000296709279 498163799 /nfs/dbraw/zinc/16/37/99/498163799.db2.gz LTBPGRGFMIJPIM-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP O[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@H](O)CC3)c2)CC1 ZINC000296709279 498163806 /nfs/dbraw/zinc/16/38/06/498163806.db2.gz LTBPGRGFMIJPIM-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP O[C@@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@@H](O)CC3)c2)CC1 ZINC000296709284 498164519 /nfs/dbraw/zinc/16/45/19/498164519.db2.gz LTBPGRGFMIJPIM-WOJBJXKFSA-N 2 1 366.933 3.034 20 0 FGADMP CC(C)[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650886 505989525 /nfs/dbraw/zinc/98/95/25/505989525.db2.gz PQUFFNCVUDHVKZ-RBUKOAKNSA-N 2 1 353.514 3.299 20 0 FGADMP CC(C)[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650886 505989527 /nfs/dbraw/zinc/98/95/27/505989527.db2.gz PQUFFNCVUDHVKZ-RBUKOAKNSA-N 2 1 353.514 3.299 20 0 FGADMP CC[C@H](C(=O)NC[C@H]1CCC[NH+](CC(C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000572534513 505991725 /nfs/dbraw/zinc/99/17/25/505991725.db2.gz GSUCLYBMVHFHJK-NHCUHLMSSA-N 2 1 359.558 3.381 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000364863246 498180300 /nfs/dbraw/zinc/18/03/00/498180300.db2.gz BKSZGLOBCHDZBN-UHFFFAOYSA-N 2 1 368.525 3.183 20 0 FGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000281753376 498258378 /nfs/dbraw/zinc/25/83/78/498258378.db2.gz WAEKZFKSHXMFAI-GHTZIAJQSA-N 2 1 370.468 3.178 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1)C(C)C ZINC000289708064 498258873 /nfs/dbraw/zinc/25/88/73/498258873.db2.gz BPNKXUZKZUCZHQ-OAQYLSRUSA-N 2 1 357.542 3.379 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797678 506007230 /nfs/dbraw/zinc/00/72/30/506007230.db2.gz ZSVOIOAKFQYYKA-OALUTQOASA-N 2 1 365.521 3.477 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797680 506007347 /nfs/dbraw/zinc/00/73/47/506007347.db2.gz ZSVOIOAKFQYYKA-RTBURBONSA-N 2 1 365.521 3.477 20 0 FGADMP NC(=O)c1csc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000289758338 498280352 /nfs/dbraw/zinc/28/03/52/498280352.db2.gz ITKYMEZANIJTJO-KRWDZBQOSA-N 2 1 357.523 3.239 20 0 FGADMP NC(=O)c1csc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000289758338 498280355 /nfs/dbraw/zinc/28/03/55/498280355.db2.gz ITKYMEZANIJTJO-KRWDZBQOSA-N 2 1 357.523 3.239 20 0 FGADMP CC(=O)NC1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000286174301 498315200 /nfs/dbraw/zinc/31/52/00/498315200.db2.gz QNIFHDCCKUPAER-UHFFFAOYSA-N 2 1 357.542 3.467 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000360871154 498317853 /nfs/dbraw/zinc/31/78/53/498317853.db2.gz KTSSBQWHEWWVSC-MLBCHFTJSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000360871154 498317857 /nfs/dbraw/zinc/31/78/57/498317857.db2.gz KTSSBQWHEWWVSC-MLBCHFTJSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000360871154 498317862 /nfs/dbraw/zinc/31/78/62/498317862.db2.gz KTSSBQWHEWWVSC-MLBCHFTJSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000360871154 498317867 /nfs/dbraw/zinc/31/78/67/498317867.db2.gz KTSSBQWHEWWVSC-MLBCHFTJSA-N 2 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000360871154 498317869 /nfs/dbraw/zinc/31/78/69/498317869.db2.gz KTSSBQWHEWWVSC-MLBCHFTJSA-N 2 1 365.606 3.224 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)C2 ZINC000360999106 498331373 /nfs/dbraw/zinc/33/13/73/498331373.db2.gz MSRCBYQLDXEKIM-ZVXPMLRVSA-N 2 1 362.521 3.143 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000365187299 498342279 /nfs/dbraw/zinc/34/22/79/498342279.db2.gz ZMIXXDZYEDWAEB-UHFFFAOYSA-N 2 1 374.529 3.027 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2nnc3n2CCCC3)CC1 ZINC000286286880 498351006 /nfs/dbraw/zinc/35/10/06/498351006.db2.gz WICVPSSFLKOVCJ-UHFFFAOYSA-N 2 1 353.514 3.147 20 0 FGADMP Cn1ccnc1[C@@H]1N(C(=O)c2ccc(Nc3ccncc3)cc2)CC1(C)C ZINC000581589794 506022033 /nfs/dbraw/zinc/02/20/33/506022033.db2.gz MVOVXUSRWLHNFW-SFHVURJKSA-N 2 1 361.449 3.204 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000293852617 498510962 /nfs/dbraw/zinc/51/09/62/498510962.db2.gz DEVLLDZFXRIOQT-JOCHJYFZSA-N 2 1 355.526 3.230 20 0 FGADMP COCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000293860276 498514227 /nfs/dbraw/zinc/51/42/27/498514227.db2.gz XSZUDGXEMSTHFN-MZADTFQBSA-N 2 1 358.526 3.215 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917153 506046316 /nfs/dbraw/zinc/04/63/16/506046316.db2.gz WPYCKKHUYAOZLO-SFTDATJTSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917153 506046318 /nfs/dbraw/zinc/04/63/18/506046318.db2.gz WPYCKKHUYAOZLO-SFTDATJTSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917153 506046320 /nfs/dbraw/zinc/04/63/20/506046320.db2.gz WPYCKKHUYAOZLO-SFTDATJTSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917153 506046321 /nfs/dbraw/zinc/04/63/21/506046321.db2.gz WPYCKKHUYAOZLO-SFTDATJTSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000569917153 506046324 /nfs/dbraw/zinc/04/63/24/506046324.db2.gz WPYCKKHUYAOZLO-SFTDATJTSA-N 2 1 363.590 3.469 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)[C@H](C)C1 ZINC000282494847 498534529 /nfs/dbraw/zinc/53/45/29/498534529.db2.gz XROIMBFDUIVXKC-UWVAXJGDSA-N 2 1 355.526 3.362 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000581715224 506051952 /nfs/dbraw/zinc/05/19/52/506051952.db2.gz HGYAHHYVCARXMW-RTBURBONSA-N 2 1 372.557 3.189 20 0 FGADMP CN(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)CC(F)(F)F ZINC000581725684 506054633 /nfs/dbraw/zinc/05/46/33/506054633.db2.gz BYBKWAUDKGATHM-QGZVFWFLSA-N 2 1 355.448 3.267 20 0 FGADMP CN(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)CC(F)(F)F ZINC000581725684 506054637 /nfs/dbraw/zinc/05/46/37/506054637.db2.gz BYBKWAUDKGATHM-QGZVFWFLSA-N 2 1 355.448 3.267 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000365624282 498563349 /nfs/dbraw/zinc/56/33/49/498563349.db2.gz HAZBCLWZOOYZTB-HXUWFJFHSA-N 2 1 366.509 3.426 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000282573483 498565480 /nfs/dbraw/zinc/56/54/80/498565480.db2.gz FLLXLQISBCQWQR-UHFFFAOYSA-N 2 1 353.514 3.381 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC000290549561 498592613 /nfs/dbraw/zinc/59/26/13/498592613.db2.gz PXSYYSXJFVGNBT-KRWDZBQOSA-N 2 1 374.554 3.186 20 0 FGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000297872110 498595605 /nfs/dbraw/zinc/59/56/05/498595605.db2.gz UPHUCOBVBHBILG-QZTJIDSGSA-N 2 1 354.498 3.160 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000303067018 498645592 /nfs/dbraw/zinc/64/55/92/498645592.db2.gz NKBKGAWTJOFAPV-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000365826339 498656495 /nfs/dbraw/zinc/65/64/95/498656495.db2.gz PSYGZARDRHVDIY-GOSISDBHSA-N 2 1 369.557 3.154 20 0 FGADMP C[C@H]1CCC[C@H](NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000363172059 498685443 /nfs/dbraw/zinc/68/54/43/498685443.db2.gz HIILTHGJNSLGGU-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP CN(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287369535 498732711 /nfs/dbraw/zinc/73/27/11/498732711.db2.gz SUIFNWDSKOUHIE-JGUMPVPUSA-N 2 1 370.541 3.090 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592138 498760652 /nfs/dbraw/zinc/76/06/52/498760652.db2.gz XDHWKAMZKOAMCI-ILWGZMRPSA-N 2 1 368.521 3.235 20 0 FGADMP c1c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)nc2ncccn12 ZINC000363324773 498762176 /nfs/dbraw/zinc/76/21/76/498762176.db2.gz SUALYEURCXUODB-JOCHJYFZSA-N 2 1 361.493 3.217 20 0 FGADMP FC(F)(F)c1ccc(CN2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298455242 498777075 /nfs/dbraw/zinc/77/70/75/498777075.db2.gz ODBNFCFQUIZZFT-GOSISDBHSA-N 2 1 367.459 3.496 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000332742525 498780309 /nfs/dbraw/zinc/78/03/09/498780309.db2.gz VJXQHLGFUMWHPI-FUHWJXTLSA-N 2 1 372.557 3.430 20 0 FGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000287508080 498781139 /nfs/dbraw/zinc/78/11/39/498781139.db2.gz OBKCDKAIKAULRK-MWXLCCTBSA-N 3 1 352.526 3.478 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCc3nccn3C2)CC1 ZINC000287508080 498781134 /nfs/dbraw/zinc/78/11/34/498781134.db2.gz OBKCDKAIKAULRK-MWXLCCTBSA-N 2 1 352.526 3.478 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000287508080 498781146 /nfs/dbraw/zinc/78/11/46/498781146.db2.gz OBKCDKAIKAULRK-MWXLCCTBSA-N 3 1 352.526 3.478 20 0 FGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000579109521 506096536 /nfs/dbraw/zinc/09/65/36/506096536.db2.gz IBLYLCFOXRBAKH-DZGCQCFKSA-N 2 1 368.319 3.288 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH+](C3CC[NH+](C)CC3)CC1)CC2 ZINC000366211616 498825726 /nfs/dbraw/zinc/82/57/26/498825726.db2.gz SPZNEWPSSSYXAX-QHCPKHFHSA-N 3 1 371.569 3.468 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1ccc(C)cc1 ZINC000366241916 498836799 /nfs/dbraw/zinc/83/67/99/498836799.db2.gz TUWXWOUKCRXCMK-QGZVFWFLSA-N 2 1 355.530 3.030 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1CCCc2sccc21 ZINC000366241830 498836829 /nfs/dbraw/zinc/83/68/29/498836829.db2.gz SJNYOOOUNZVOIM-GOSISDBHSA-N 2 1 373.570 3.099 20 0 FGADMP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)C2 ZINC000332968929 498850763 /nfs/dbraw/zinc/85/07/63/498850763.db2.gz JAXBANZNSHMKCY-IAGOWNOFSA-N 2 1 372.557 3.266 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000570145948 506101214 /nfs/dbraw/zinc/10/12/14/506101214.db2.gz VDVYRIQFNDFZHQ-HRAATJIYSA-N 2 1 364.493 3.464 20 0 FGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000366285724 498858880 /nfs/dbraw/zinc/85/88/80/498858880.db2.gz PQESONPEDMKKRN-MISYRCLQSA-N 2 1 370.541 3.214 20 0 FGADMP C[C@H](CC[NH2+]C1CCC(CS(C)(=O)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000294951338 498860501 /nfs/dbraw/zinc/86/05/01/498860501.db2.gz YMTNFAVOHOILAE-QHGAOEGBSA-N 2 1 366.571 3.090 20 0 FGADMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000570153463 506102927 /nfs/dbraw/zinc/10/29/27/506102927.db2.gz GYNBBFBSHHMTRP-XUVXKRRUSA-N 2 1 353.466 3.121 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC000363532909 498865717 /nfs/dbraw/zinc/86/57/17/498865717.db2.gz FJSQKUJUSLHQQI-UHFFFAOYSA-N 2 1 369.557 3.284 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cc(C[NH+]3CCCC3)ccc1C)C2 ZINC000291295806 498881921 /nfs/dbraw/zinc/88/19/21/498881921.db2.gz NGJXLESEVZSSDA-GOSISDBHSA-N 2 1 352.482 3.297 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCC(=O)N[C@H]3c3cnn(C)c3)CC2)C1 ZINC000328646859 498888542 /nfs/dbraw/zinc/88/85/42/498888542.db2.gz SVDUXKWXQRMXJG-LKRGOLFISA-N 2 1 373.545 3.213 20 0 FGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579108925 506096427 /nfs/dbraw/zinc/09/64/27/506096427.db2.gz KDCMEWDBGXTJLO-QGZVFWFLSA-N 2 1 374.916 3.021 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295084766 498903182 /nfs/dbraw/zinc/90/31/82/498903182.db2.gz UIBKMDXBRDIICZ-RZUBCFFCSA-N 2 1 350.510 3.218 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ncn1 ZINC000328726395 498916119 /nfs/dbraw/zinc/91/61/19/498916119.db2.gz ZONQGKRQKLGPKI-JRGCBEDISA-N 2 1 373.545 3.014 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000363786356 498992806 /nfs/dbraw/zinc/99/28/06/498992806.db2.gz FWLNRSJVZWBUAA-ZTNFWEORSA-N 2 1 359.489 3.329 20 0 FGADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccc1O ZINC000299207676 498994260 /nfs/dbraw/zinc/99/42/60/498994260.db2.gz ALQDFOLIPYVURN-KRWDZBQOSA-N 2 1 370.493 3.301 20 0 FGADMP CCOc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccc1O ZINC000299207676 498994266 /nfs/dbraw/zinc/99/42/66/498994266.db2.gz ALQDFOLIPYVURN-KRWDZBQOSA-N 2 1 370.493 3.301 20 0 FGADMP Fc1ccc([C@H](NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c2ccccc2)nc1 ZINC000363829790 499014996 /nfs/dbraw/zinc/01/49/96/499014996.db2.gz TXKRSMOYKMDMID-YUXAGFNASA-N 2 1 369.484 3.401 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283976417 499023027 /nfs/dbraw/zinc/02/30/27/499023027.db2.gz MJWABYXDHFZGJI-UHFFFAOYSA-N 2 1 362.477 3.319 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)CC1 ZINC000291859223 499086575 /nfs/dbraw/zinc/08/65/75/499086575.db2.gz HEAHHIGFPSURPE-UHFFFAOYSA-N 2 1 373.545 3.006 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366889322 499107122 /nfs/dbraw/zinc/10/71/22/499107122.db2.gz WFLIUVDDRYADOL-UHFFFAOYSA-N 2 1 359.514 3.222 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000364075044 499108527 /nfs/dbraw/zinc/10/85/27/499108527.db2.gz IROSTQJFUYQLIF-ZAAXVRCTSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000364075044 499108529 /nfs/dbraw/zinc/10/85/29/499108529.db2.gz IROSTQJFUYQLIF-ZAAXVRCTSA-N 2 1 367.497 3.168 20 0 FGADMP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000372463348 499130095 /nfs/dbraw/zinc/13/00/95/499130095.db2.gz ICVBJECAVHSVKL-FUHWJXTLSA-N 2 1 368.525 3.275 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)C2 ZINC000372463348 499130098 /nfs/dbraw/zinc/13/00/98/499130098.db2.gz ICVBJECAVHSVKL-FUHWJXTLSA-N 2 1 368.525 3.275 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)C2 ZINC000372463348 499130101 /nfs/dbraw/zinc/13/01/01/499130101.db2.gz ICVBJECAVHSVKL-FUHWJXTLSA-N 2 1 368.525 3.275 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000576328708 506131970 /nfs/dbraw/zinc/13/19/70/506131970.db2.gz CTZNHRGHTSGRCR-CRAIPNDOSA-N 2 1 358.511 3.411 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000369871830 499142632 /nfs/dbraw/zinc/14/26/32/499142632.db2.gz JLHUIVJAXMSZCW-XLIONFOSSA-N 2 1 364.578 3.155 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000372805473 499177905 /nfs/dbraw/zinc/17/79/05/499177905.db2.gz SJJCRJFEFICODM-OAQYLSRUSA-N 2 1 367.541 3.251 20 0 FGADMP CC(C)C[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372820445 499180158 /nfs/dbraw/zinc/18/01/58/499180158.db2.gz GFFYVYXTFYEVLE-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000367337147 499183631 /nfs/dbraw/zinc/18/36/31/499183631.db2.gz XPFHWEDEONJCJD-PGRDOPGGSA-N 2 1 370.493 3.461 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000367337147 499183633 /nfs/dbraw/zinc/18/36/33/499183633.db2.gz XPFHWEDEONJCJD-PGRDOPGGSA-N 2 1 370.493 3.461 20 0 FGADMP C[N@@H+](Cc1cnc([C@@H]2CCCO2)s1)C1CCN(c2ccccn2)CC1 ZINC000367422953 499197287 /nfs/dbraw/zinc/19/72/87/499197287.db2.gz OKMCNUZLSXHGMK-KRWDZBQOSA-N 2 1 358.511 3.490 20 0 FGADMP CN(Cc1cnc([C@@H]2CCCO2)s1)C1CCN(c2ccccn2)CC1 ZINC000367422953 499197289 /nfs/dbraw/zinc/19/72/89/499197289.db2.gz OKMCNUZLSXHGMK-KRWDZBQOSA-N 2 1 358.511 3.490 20 0 FGADMP c1nc2n(c1C[NH2+][C@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000367437858 499199086 /nfs/dbraw/zinc/19/90/86/499199086.db2.gz KADOQXTXINLRQF-JBACZVJFSA-N 2 1 350.510 3.220 20 0 FGADMP Cn1cc([C@@H]2[C@@H](CN[C@@H](c3ncc[nH]3)C3CCCCC3)CCC[N@H+]2C)cn1 ZINC000367617061 499218237 /nfs/dbraw/zinc/21/82/37/499218237.db2.gz PRMUQJJITLZAPI-RLLQIKCJSA-N 2 1 370.545 3.437 20 0 FGADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@H+]4C3)cc2)CC1 ZINC000370586047 499233920 /nfs/dbraw/zinc/23/39/20/499233920.db2.gz ZXAGMCGYTNFKJK-LAUBAEHRSA-N 2 1 370.541 3.030 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]3CCCO3)C[C@H]1C)CCCO2 ZINC000370615488 499235586 /nfs/dbraw/zinc/23/55/86/499235586.db2.gz DRQNJLMWOHTSTI-XRULBBBTSA-N 2 1 374.525 3.388 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]3CCCO3)C[C@H]1C)CCCO2 ZINC000370615488 499235588 /nfs/dbraw/zinc/23/55/88/499235588.db2.gz DRQNJLMWOHTSTI-XRULBBBTSA-N 2 1 374.525 3.388 20 0 FGADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)n1 ZINC000370644983 499239091 /nfs/dbraw/zinc/23/90/91/499239091.db2.gz SIAYXMMJLSERJA-KBAYOESNSA-N 2 1 351.560 3.253 20 0 FGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccco1 ZINC000370650507 499239942 /nfs/dbraw/zinc/23/99/42/499239942.db2.gz DSPPKHDRHGHFQP-MTQWCTHYSA-N 2 1 363.546 3.142 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(F)cc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367884415 499241680 /nfs/dbraw/zinc/24/16/80/499241680.db2.gz GZCNIAHCKUZQGY-UHFFFAOYSA-N 2 1 374.435 3.147 20 0 FGADMP C[C@H]1C[N@@H+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730545 499249065 /nfs/dbraw/zinc/24/90/65/499249065.db2.gz OYRGDLAATPHQIK-XXTHSBEZSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC000370730545 499249067 /nfs/dbraw/zinc/24/90/67/499249067.db2.gz OYRGDLAATPHQIK-XXTHSBEZSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000370730545 499249069 /nfs/dbraw/zinc/24/90/69/499249069.db2.gz OYRGDLAATPHQIK-XXTHSBEZSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000370763846 499252515 /nfs/dbraw/zinc/25/25/15/499252515.db2.gz PWJXGYVJMUVZPB-DWLFOUALSA-N 2 1 365.521 3.351 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773610 499253330 /nfs/dbraw/zinc/25/33/30/499253330.db2.gz OXGXKOXCHMHSQK-PBHICJAKSA-N 2 1 371.447 3.332 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000367999478 499253388 /nfs/dbraw/zinc/25/33/88/499253388.db2.gz UYKZVRIQIBBSKD-FHWLQOOXSA-N 2 1 357.498 3.256 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368018899 499255766 /nfs/dbraw/zinc/25/57/66/499255766.db2.gz KINIQWILMPKERE-HGKSCXNLSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368018899 499255768 /nfs/dbraw/zinc/25/57/68/499255768.db2.gz KINIQWILMPKERE-HGKSCXNLSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CC(c4ccccn4)C3)c2)CCO1 ZINC000368031289 499257110 /nfs/dbraw/zinc/25/71/10/499257110.db2.gz SRCUXFGGPYZFRF-MDMXATFFSA-N 2 1 351.494 3.338 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CC(c4ccccn4)C3)c2)CCO1 ZINC000368031289 499257112 /nfs/dbraw/zinc/25/71/12/499257112.db2.gz SRCUXFGGPYZFRF-MDMXATFFSA-N 2 1 351.494 3.338 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCCOc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000368050913 499259546 /nfs/dbraw/zinc/25/95/46/499259546.db2.gz IRQASCLTUXNGEG-HXUWFJFHSA-N 2 1 359.558 3.336 20 0 FGADMP Cc1cc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c(C)cn1 ZINC000368241466 499277500 /nfs/dbraw/zinc/27/75/00/499277500.db2.gz OATSNAYGRGRNCG-VQTJNVASSA-N 2 1 364.493 3.106 20 0 FGADMP CN(C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)C1CC([NH3+])C1 ZINC000573189268 506139435 /nfs/dbraw/zinc/13/94/35/506139435.db2.gz FBAIZYQYSQAAHS-UHFFFAOYSA-N 2 1 358.530 3.082 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368297316 499283047 /nfs/dbraw/zinc/28/30/47/499283047.db2.gz WJPRBGZNYOJMQK-BDXSIMOUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCn4cncc4C3)cc2)C1 ZINC000368442307 499296431 /nfs/dbraw/zinc/29/64/31/499296431.db2.gz MYVFPJMXXUSLBP-AEFFLSMTSA-N 2 1 352.482 3.316 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCN(C(=O)CC(C)C)CC3)C2)[nH+]1 ZINC000368492848 499301472 /nfs/dbraw/zinc/30/14/72/499301472.db2.gz FVCRPJSNUMVABF-FQEVSTJZSA-N 2 1 372.557 3.409 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCN(C(=O)CC(C)C)CC3)C2)[nH+]1 ZINC000368492848 499301474 /nfs/dbraw/zinc/30/14/74/499301474.db2.gz FVCRPJSNUMVABF-FQEVSTJZSA-N 2 1 372.557 3.409 20 0 FGADMP Cc1[nH+]c(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)c2n1CCCC2 ZINC000371304497 499307940 /nfs/dbraw/zinc/30/79/40/499307940.db2.gz IWTXNVCPJVSFAG-UHFFFAOYSA-N 2 1 366.509 3.056 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)c(F)c2)cn1C ZINC000368565247 499307934 /nfs/dbraw/zinc/30/79/34/499307934.db2.gz BUEGISPYHIRXQH-ZDUSSCGKSA-N 2 1 370.428 3.296 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)CC1 ZINC000371336213 499312426 /nfs/dbraw/zinc/31/24/26/499312426.db2.gz OBQJOMHOFOPASL-INIZCTEOSA-N 2 1 371.447 3.027 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)CC1 ZINC000371336213 499312427 /nfs/dbraw/zinc/31/24/27/499312427.db2.gz OBQJOMHOFOPASL-INIZCTEOSA-N 2 1 371.447 3.027 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610919 499313216 /nfs/dbraw/zinc/31/32/16/499313216.db2.gz GSQAWNHXLPXDBU-VQIMIIECSA-N 2 1 366.933 3.339 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000368610919 499313218 /nfs/dbraw/zinc/31/32/18/499313218.db2.gz GSQAWNHXLPXDBU-VQIMIIECSA-N 2 1 366.933 3.339 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC(C)C ZINC000371470814 499331331 /nfs/dbraw/zinc/33/13/31/499331331.db2.gz OQMXNRGWNFLECT-CMKODMSKSA-N 2 1 362.514 3.166 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1OC(C)C ZINC000371470814 499331333 /nfs/dbraw/zinc/33/13/33/499331333.db2.gz OQMXNRGWNFLECT-CMKODMSKSA-N 2 1 362.514 3.166 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490317 499333924 /nfs/dbraw/zinc/33/39/24/499333924.db2.gz DLAXDSUFABZNOZ-YJBOKZPZSA-N 2 1 354.498 3.248 20 0 FGADMP COc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1C ZINC000371747373 499361125 /nfs/dbraw/zinc/36/11/25/499361125.db2.gz QDIXJJXYUXTGHN-HXUWFJFHSA-N 2 1 373.541 3.130 20 0 FGADMP COc1ccccc1-c1noc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000371828433 499369327 /nfs/dbraw/zinc/36/93/27/499369327.db2.gz IKZZUQFJKPWEEI-AWEZNQCLSA-N 2 1 355.442 3.381 20 0 FGADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000579316570 506144243 /nfs/dbraw/zinc/14/42/43/506144243.db2.gz VKFIYYNXSCPZHX-UHFFFAOYSA-N 2 1 367.497 3.138 20 0 FGADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000372056003 499394013 /nfs/dbraw/zinc/39/40/13/499394013.db2.gz XIKYBOWDIGIMNT-MKJVIKKCSA-N 2 1 360.542 3.020 20 0 FGADMP C[C@H]1CCC[C@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372133132 499401814 /nfs/dbraw/zinc/40/18/14/499401814.db2.gz CKINIMFRYCZIDB-ICSRJNTNSA-N 2 1 363.590 3.467 20 0 FGADMP C[C@H]([NH2+]CCCOCC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372346149 499423323 /nfs/dbraw/zinc/42/33/23/499423323.db2.gz JJEPMPYQXPSLRS-UGKGYDQZSA-N 2 1 360.542 3.320 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000372350527 499423786 /nfs/dbraw/zinc/42/37/86/499423786.db2.gz XAYSTRSENSGOEC-GCJKJVERSA-N 2 1 365.521 3.089 20 0 FGADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000372413107 499431855 /nfs/dbraw/zinc/43/18/55/499431855.db2.gz GMBNEEODDZERRX-UHFFFAOYSA-N 2 1 372.488 3.291 20 0 FGADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000372413107 499431856 /nfs/dbraw/zinc/43/18/56/499431856.db2.gz GMBNEEODDZERRX-UHFFFAOYSA-N 2 1 372.488 3.291 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000369783240 499442946 /nfs/dbraw/zinc/44/29/46/499442946.db2.gz IKPXASUJPSWVQN-FQEVSTJZSA-N 2 1 354.498 3.438 20 0 FGADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CS1 ZINC000372980726 499445667 /nfs/dbraw/zinc/44/56/67/499445667.db2.gz PGZAYHCFIFPWDZ-ICSRJNTNSA-N 3 1 353.620 3.302 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223241 499458389 /nfs/dbraw/zinc/45/83/89/499458389.db2.gz HKCACSISQRXIFL-YJBOKZPZSA-N 2 1 368.518 3.146 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558666 499476911 /nfs/dbraw/zinc/47/69/11/499476911.db2.gz CQIXLAWLRPWUNY-MCYKXBRJSA-N 2 1 374.525 3.170 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558666 499476912 /nfs/dbraw/zinc/47/69/12/499476912.db2.gz CQIXLAWLRPWUNY-MCYKXBRJSA-N 2 1 374.525 3.170 20 0 FGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000378375234 499508975 /nfs/dbraw/zinc/50/89/75/499508975.db2.gz XTSYVMAOMUKPEA-NLWGTHIKSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OC ZINC000378375234 499508976 /nfs/dbraw/zinc/50/89/76/499508976.db2.gz XTSYVMAOMUKPEA-NLWGTHIKSA-N 2 1 362.514 3.168 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375358011 499510277 /nfs/dbraw/zinc/51/02/77/499510277.db2.gz USQMCCBVMWDUGW-LGKPFJOYSA-N 2 1 355.570 3.455 20 0 FGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@@H]2CCc3cn[nH]c3C2)ccc1OC ZINC000378510724 499526058 /nfs/dbraw/zinc/52/60/58/499526058.db2.gz INNAKQAZBCWEFN-DNVCBOLYSA-N 2 1 356.514 3.468 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523699 499528053 /nfs/dbraw/zinc/52/80/53/499528053.db2.gz WBHJAJLOXAOVJR-POAQFYNOSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523699 499528054 /nfs/dbraw/zinc/52/80/54/499528054.db2.gz WBHJAJLOXAOVJR-POAQFYNOSA-N 2 1 372.557 3.292 20 0 FGADMP Cc1cnc([C@@H]2CCCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000375595782 499536012 /nfs/dbraw/zinc/53/60/12/499536012.db2.gz GCFINSBFDGJVDQ-SFHVURJKSA-N 2 1 350.576 3.395 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676786 499542755 /nfs/dbraw/zinc/54/27/55/499542755.db2.gz AWNBERMDCQDTBD-JRGCBEDISA-N 2 1 357.542 3.453 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000385371383 499548189 /nfs/dbraw/zinc/54/81/89/499548189.db2.gz CCIZJYXLJCCBBP-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000385371383 499548191 /nfs/dbraw/zinc/54/81/91/499548191.db2.gz CCIZJYXLJCCBBP-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000375713158 499548210 /nfs/dbraw/zinc/54/82/10/499548210.db2.gz WVIOQPYVQKWAFJ-MYGLTJDJSA-N 2 1 362.521 3.428 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330965 499550896 /nfs/dbraw/zinc/55/08/96/499550896.db2.gz RNEFQWAQLJCCAR-UYAOXDASSA-N 2 1 374.912 3.191 20 0 FGADMP COC(=O)c1ccc(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000388981158 499551984 /nfs/dbraw/zinc/55/19/84/499551984.db2.gz QTLAEINZRDBOKS-BHIYHBOVSA-N 2 1 354.450 3.066 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390688290 499555291 /nfs/dbraw/zinc/55/52/91/499555291.db2.gz ZMYNRXFVWIXVOL-FCEUIQTBSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688290 499555293 /nfs/dbraw/zinc/55/52/93/499555293.db2.gz ZMYNRXFVWIXVOL-FCEUIQTBSA-N 2 1 359.558 3.178 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H]2CCC[C@@H]21 ZINC000375854596 499562658 /nfs/dbraw/zinc/56/26/58/499562658.db2.gz UWCZDOFXVNDLDY-HKBOAZHASA-N 2 1 364.493 3.296 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000396337300 499562848 /nfs/dbraw/zinc/56/28/48/499562848.db2.gz VTAKCSHPTFMTEK-WWDZGPRUSA-N 2 1 356.432 3.334 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1 ZINC000397965999 499565816 /nfs/dbraw/zinc/56/58/16/499565816.db2.gz GXUDZLJECPARRU-ZNLUXHQJSA-N 2 1 372.484 3.066 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000573238948 506150993 /nfs/dbraw/zinc/15/09/93/506150993.db2.gz FKDCPXWUBQWAGX-XMSQKQJNSA-N 2 1 366.505 3.333 20 0 FGADMP CN(C)C(=O)c1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000376179247 499589204 /nfs/dbraw/zinc/58/92/04/499589204.db2.gz YYQSVMAEZUVGRY-UHFFFAOYSA-N 2 1 366.509 3.132 20 0 FGADMP C[C@H](Cc1ccccc1)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376919473 499646625 /nfs/dbraw/zinc/64/66/25/499646625.db2.gz OLPDSBBRSFRXLF-LJQANCHMSA-N 2 1 371.569 3.178 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000410369365 499658026 /nfs/dbraw/zinc/65/80/26/499658026.db2.gz DTDNECPOLGJRRZ-LJQANCHMSA-N 2 1 372.557 3.297 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000377327934 499680110 /nfs/dbraw/zinc/68/01/10/499680110.db2.gz UZHDJTRQSLUIOC-GOSISDBHSA-N 2 1 373.545 3.017 20 0 FGADMP C[NH+](C)[C@@H]1CCC[NH+](CCCCCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000377392025 499686201 /nfs/dbraw/zinc/68/62/01/499686201.db2.gz NVARBVJFIZKFDZ-FGZHOGPDSA-N 4 1 366.638 3.379 20 0 FGADMP Cc1ccc2cc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)ccc2n1 ZINC000377621131 499711314 /nfs/dbraw/zinc/71/13/14/499711314.db2.gz AWXZBJKMFFMPMA-NRFANRHFSA-N 2 1 352.526 3.144 20 0 FGADMP C[N@H+](Cc1cnc(C2CCCC2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628945 499712486 /nfs/dbraw/zinc/71/24/86/499712486.db2.gz OZAUGNIIYFKCBA-GOSISDBHSA-N 2 1 362.587 3.401 20 0 FGADMP C[N@@H+](Cc1cnc(C2CCCC2)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628945 499712488 /nfs/dbraw/zinc/71/24/88/499712488.db2.gz OZAUGNIIYFKCBA-GOSISDBHSA-N 2 1 362.587 3.401 20 0 FGADMP CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411227009 499714157 /nfs/dbraw/zinc/71/41/57/499714157.db2.gz UJQGSZWOXBPRHR-OAQYLSRUSA-N 2 1 357.542 3.411 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000411309483 499724570 /nfs/dbraw/zinc/72/45/70/499724570.db2.gz RBOIZSWUSOHBNS-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2Br)CC1 ZINC000411309483 499724569 /nfs/dbraw/zinc/72/45/69/499724569.db2.gz RBOIZSWUSOHBNS-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377718973 499724710 /nfs/dbraw/zinc/72/47/10/499724710.db2.gz JYKQODDBQYUQSR-CRAIPNDOSA-N 2 1 362.481 3.324 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377718973 499724711 /nfs/dbraw/zinc/72/47/11/499724711.db2.gz JYKQODDBQYUQSR-CRAIPNDOSA-N 2 1 362.481 3.324 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328806 499726297 /nfs/dbraw/zinc/72/62/97/499726297.db2.gz QGQPVYIVLCEJJH-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000411328806 499726299 /nfs/dbraw/zinc/72/62/99/499726299.db2.gz QGQPVYIVLCEJJH-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000411328806 499726301 /nfs/dbraw/zinc/72/63/01/499726301.db2.gz QGQPVYIVLCEJJH-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N2CCOCC2)[C@@H]1c1ccccc1 ZINC000377764140 499730632 /nfs/dbraw/zinc/73/06/32/499730632.db2.gz SNQDWYSMPSIJRT-GGAORHGYSA-N 2 1 365.521 3.306 20 0 FGADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411409639 499736432 /nfs/dbraw/zinc/73/64/32/499736432.db2.gz UCKQYLURBWOTDN-FSSWDIPSSA-N 2 1 358.526 3.441 20 0 FGADMP CC(C)N(C)c1ccc(C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)cn1 ZINC000377926475 499748855 /nfs/dbraw/zinc/74/88/55/499748855.db2.gz WSNMIXNKOKOUEJ-UHFFFAOYSA-N 2 1 367.541 3.418 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000377988423 499753860 /nfs/dbraw/zinc/75/38/60/499753860.db2.gz CDTZOKYZMHQMFQ-LPHOPBHVSA-N 2 1 369.509 3.163 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000414255181 499771549 /nfs/dbraw/zinc/77/15/49/499771549.db2.gz CKKQRQWBZNLCMK-YPAWHYETSA-N 2 1 372.553 3.462 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000414255181 499771550 /nfs/dbraw/zinc/77/15/50/499771550.db2.gz CKKQRQWBZNLCMK-YPAWHYETSA-N 2 1 372.553 3.462 20 0 FGADMP CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411639017 499772012 /nfs/dbraw/zinc/77/20/12/499772012.db2.gz HTMMFXKWEWGDDK-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411639017 499772014 /nfs/dbraw/zinc/77/20/14/499772014.db2.gz HTMMFXKWEWGDDK-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411656196 499773589 /nfs/dbraw/zinc/77/35/89/499773589.db2.gz PUQYSNUAMWGCHX-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411660160 499774071 /nfs/dbraw/zinc/77/40/71/499774071.db2.gz AGKDRDQOJQZWHP-YADHBBJMSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414291957 499774767 /nfs/dbraw/zinc/77/47/67/499774767.db2.gz UQKOMEGFAYTRBP-QGZVFWFLSA-N 2 1 355.530 3.008 20 0 FGADMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000414301142 499775390 /nfs/dbraw/zinc/77/53/90/499775390.db2.gz BHCSCBDYWSBMTD-IBGZPJMESA-N 2 1 374.475 3.337 20 0 FGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1Br ZINC000411871890 499798223 /nfs/dbraw/zinc/79/82/23/499798223.db2.gz LREWPPYPQTVTAE-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000412014824 499813244 /nfs/dbraw/zinc/81/32/44/499813244.db2.gz RBMSLBPWJTTYDF-VXKWHMMOSA-N 2 1 369.553 3.388 20 0 FGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755163 499827095 /nfs/dbraw/zinc/82/70/95/499827095.db2.gz YZQLEODARXVCSQ-RTBURBONSA-N 2 1 357.542 3.391 20 0 FGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772381 499829486 /nfs/dbraw/zinc/82/94/86/499829486.db2.gz BULTVGSSFRCAEK-UXHICEINSA-N 2 1 351.494 3.482 20 0 FGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC1 ZINC000414799415 499832699 /nfs/dbraw/zinc/83/26/99/499832699.db2.gz DNTNRBFZBOLMSP-LLVKDONJSA-N 2 1 353.182 3.175 20 0 FGADMP Brc1ccc(-n2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)cc1 ZINC000414828765 499835024 /nfs/dbraw/zinc/83/50/24/499835024.db2.gz MRUIZAGQKUTQOS-XYPWUTKMSA-N 2 1 361.287 3.007 20 0 FGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855893 499838154 /nfs/dbraw/zinc/83/81/54/499838154.db2.gz XUXPBVKEKWLHFQ-DOMZBBRYSA-N 2 1 356.308 3.129 20 0 FGADMP C[NH2+]C[C@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000414900758 499842979 /nfs/dbraw/zinc/84/29/79/499842979.db2.gz IWVXUPTWGKYPJN-QGZVFWFLSA-N 2 1 355.486 3.128 20 0 FGADMP Clc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ncccc12 ZINC000415052393 499858630 /nfs/dbraw/zinc/85/86/30/499858630.db2.gz LADFBKZPMXGFRF-UHFFFAOYSA-N 2 1 358.917 3.194 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](C[C@@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000415102870 499863918 /nfs/dbraw/zinc/86/39/18/499863918.db2.gz JGRCYEHXBSPXFN-HGHGUNKESA-N 2 1 352.482 3.090 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)Nc1ccccc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000415123255 499866523 /nfs/dbraw/zinc/86/65/23/499866523.db2.gz PJTOUZFMWJMJQP-MISYRCLQSA-N 2 1 372.557 3.107 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCc3c(Cl)cccc3Cl)C2)nn1 ZINC000415130116 499867794 /nfs/dbraw/zinc/86/77/94/499867794.db2.gz QKZFUTTXCNSTLL-AWEZNQCLSA-N 2 1 368.312 3.313 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415903795 499926395 /nfs/dbraw/zinc/92/63/95/499926395.db2.gz QRERYCVKIVAPEW-LJQANCHMSA-N 2 1 352.482 3.192 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000415910597 499927473 /nfs/dbraw/zinc/92/74/73/499927473.db2.gz CAANINDQVRRZIY-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)cc1 ZINC000415933610 499930292 /nfs/dbraw/zinc/93/02/92/499930292.db2.gz GGLCNFJAASEGRU-UHFFFAOYSA-N 2 1 374.529 3.144 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N(C)CCC[N@@H+](C)Cc2ccco2)c1 ZINC000415937939 499930705 /nfs/dbraw/zinc/93/07/05/499930705.db2.gz XKAXTBQNMYDZBA-UHFFFAOYSA-N 2 1 358.486 3.375 20 0 FGADMP C[C@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000415966371 499934496 /nfs/dbraw/zinc/93/44/96/499934496.db2.gz GLIUUOQXCIBIAA-CHWSQXEVSA-N 2 1 372.435 3.406 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000415978013 499936624 /nfs/dbraw/zinc/93/66/24/499936624.db2.gz ZOCAQNMVBQAIQC-UHFFFAOYSA-N 2 1 366.509 3.364 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415979605 499936927 /nfs/dbraw/zinc/93/69/27/499936927.db2.gz DTCFKCOEYYGFDT-OXJNMPFZSA-N 2 1 352.482 3.048 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993626 499938674 /nfs/dbraw/zinc/93/86/74/499938674.db2.gz FKPWPGCXLAMXBK-INIZCTEOSA-N 2 1 350.466 3.028 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415993626 499938675 /nfs/dbraw/zinc/93/86/75/499938675.db2.gz FKPWPGCXLAMXBK-INIZCTEOSA-N 2 1 350.466 3.028 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996911 499939112 /nfs/dbraw/zinc/93/91/12/499939112.db2.gz OGTPGOGZDGUQIE-KRWDZBQOSA-N 2 1 364.493 3.418 20 0 FGADMP CC1(C)CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000416001051 499939738 /nfs/dbraw/zinc/93/97/38/499939738.db2.gz YOWBEUCOPVQTGJ-UHFFFAOYSA-N 2 1 364.493 3.418 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](CCc2cccs2)CC1)c1ccccc1 ZINC000416138789 499954891 /nfs/dbraw/zinc/95/48/91/499954891.db2.gz ZBJGDSXQUJOSDB-FQEVSTJZSA-N 2 1 371.550 3.128 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015180 499983589 /nfs/dbraw/zinc/98/35/89/499983589.db2.gz XGZMCFWBXKYMMD-KRWDZBQOSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015180 499983597 /nfs/dbraw/zinc/98/35/97/499983597.db2.gz XGZMCFWBXKYMMD-KRWDZBQOSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015180 499983599 /nfs/dbraw/zinc/98/35/99/499983599.db2.gz XGZMCFWBXKYMMD-KRWDZBQOSA-N 2 1 356.297 3.350 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032855 499989116 /nfs/dbraw/zinc/98/91/16/499989116.db2.gz XXSLJDJJNRHJQW-JPYJTQIMSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032855 499989120 /nfs/dbraw/zinc/98/91/20/499989120.db2.gz XXSLJDJJNRHJQW-JPYJTQIMSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032855 499989125 /nfs/dbraw/zinc/98/91/25/499989125.db2.gz XXSLJDJJNRHJQW-JPYJTQIMSA-N 2 1 363.505 3.183 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)NCC2([NH3+])CCCCCC2)cc1F ZINC000417274522 500025626 /nfs/dbraw/zinc/02/56/26/500025626.db2.gz CROYSLYLSDTXOS-UHFFFAOYSA-N 2 1 373.476 3.171 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(CC(C)C)s3)CC2)CC1 ZINC000421367586 500028326 /nfs/dbraw/zinc/02/83/26/500028326.db2.gz FIJFJIWAECZDAP-UHFFFAOYSA-N 2 1 364.603 3.334 20 0 FGADMP CSC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](CSC)C2)C1 ZINC000429289540 500043972 /nfs/dbraw/zinc/04/39/72/500043972.db2.gz BZSNMAKVYMEYAL-QZTJIDSGSA-N 2 1 360.633 3.153 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1(O)CCOCC1 ZINC000417350989 500045998 /nfs/dbraw/zinc/04/59/98/500045998.db2.gz ATTXRQYFJVPJEV-NJDAHSKKSA-N 2 1 372.553 3.054 20 0 FGADMP COc1cc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1Br ZINC000425225410 500049461 /nfs/dbraw/zinc/04/94/61/500049461.db2.gz FVDRHQNUWRDGQY-NEPJUHHUSA-N 2 1 364.287 3.322 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417591729 500119350 /nfs/dbraw/zinc/11/93/50/500119350.db2.gz SMKVUIZVKSVFFF-RXVVDRJESA-N 2 1 368.525 3.286 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417591728 500119551 /nfs/dbraw/zinc/11/95/51/500119551.db2.gz SMKVUIZVKSVFFF-NQIIRXRSSA-N 2 1 368.525 3.286 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1CC[NH2+]CC1 ZINC000416841455 500135431 /nfs/dbraw/zinc/13/54/31/500135431.db2.gz HGSYRRHDXMSHFG-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000416861543 500140804 /nfs/dbraw/zinc/14/08/04/500140804.db2.gz XCALEMXQHJVDOE-LIRRHRJNSA-N 2 1 374.916 3.462 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000416969954 500170343 /nfs/dbraw/zinc/17/03/43/500170343.db2.gz MFWVZGSNCAWITI-PZJWPPBQSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000416971849 500170800 /nfs/dbraw/zinc/17/08/00/500170800.db2.gz HRMOBLZAADZXSU-BBTUJRGHSA-N 2 1 372.557 3.472 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802390 500174881 /nfs/dbraw/zinc/17/48/81/500174881.db2.gz WYAJEGNTWNFPTH-WOJBJXKFSA-N 2 1 358.530 3.030 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000417852813 500184591 /nfs/dbraw/zinc/18/45/91/500184591.db2.gz HKSFVDASVUBOSA-LIRRHRJNSA-N 2 1 355.486 3.058 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1OC ZINC000425892942 500208408 /nfs/dbraw/zinc/20/84/08/500208408.db2.gz CJVVTXXJOOSLPY-AWEZNQCLSA-N 2 1 359.470 3.400 20 0 FGADMP CC(C)CSCCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940895 500214527 /nfs/dbraw/zinc/21/45/27/500214527.db2.gz IKJUCRQDVFWSLL-FQEVSTJZSA-N 2 1 350.572 3.335 20 0 FGADMP CC(C)CSCCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940895 500214528 /nfs/dbraw/zinc/21/45/28/500214528.db2.gz IKJUCRQDVFWSLL-FQEVSTJZSA-N 2 1 350.572 3.335 20 0 FGADMP CC(C)CSCCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940895 500214529 /nfs/dbraw/zinc/21/45/29/500214529.db2.gz IKJUCRQDVFWSLL-FQEVSTJZSA-N 2 1 350.572 3.335 20 0 FGADMP CC(C)CSCCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940895 500214530 /nfs/dbraw/zinc/21/45/30/500214530.db2.gz IKJUCRQDVFWSLL-FQEVSTJZSA-N 2 1 350.572 3.335 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418017107 500214710 /nfs/dbraw/zinc/21/47/10/500214710.db2.gz RZMWDELSLZMSMY-WWMYMODYSA-N 2 1 366.509 3.026 20 0 FGADMP CCCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000418166627 500240902 /nfs/dbraw/zinc/24/09/02/500240902.db2.gz ZOAYIYZIGQDAAG-UXHICEINSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176942 500243386 /nfs/dbraw/zinc/24/33/86/500243386.db2.gz HLTKOQLGHKFABF-PKOBYXMFSA-N 2 1 366.937 3.103 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])c1ccc(Cl)cc1 ZINC000418183878 500244274 /nfs/dbraw/zinc/24/42/74/500244274.db2.gz OXZMRGMEKNJXEG-YOEHRIQHSA-N 2 1 354.926 3.150 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000426288835 500257049 /nfs/dbraw/zinc/25/70/49/500257049.db2.gz KIOLDJJFSHMMLN-HBFSDRIKSA-N 2 1 363.521 3.131 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592884 500259917 /nfs/dbraw/zinc/25/99/17/500259917.db2.gz IMBLUYWQGWIGSH-LSTDLKDCSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592884 500259918 /nfs/dbraw/zinc/25/99/18/500259918.db2.gz IMBLUYWQGWIGSH-LSTDLKDCSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592885 500259970 /nfs/dbraw/zinc/25/99/70/500259970.db2.gz IMBLUYWQGWIGSH-VUHPKUFZSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2cccc3ccccc32)C1 ZINC000430592885 500259971 /nfs/dbraw/zinc/25/99/71/500259971.db2.gz IMBLUYWQGWIGSH-VUHPKUFZSA-N 2 1 353.510 3.465 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1 ZINC000430606486 500261445 /nfs/dbraw/zinc/26/14/45/500261445.db2.gz VYRDHVFRYKJRTR-LAUBAEHRSA-N 2 1 367.493 3.354 20 0 FGADMP CCN(C(=O)NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418350120 500266338 /nfs/dbraw/zinc/26/63/38/500266338.db2.gz QPVDRDFTONZCDT-IRFCIJBXSA-N 2 1 372.557 3.243 20 0 FGADMP [NH3+]CC1(C(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000430705586 500272634 /nfs/dbraw/zinc/27/26/34/500272634.db2.gz LGWLAPVTHSKINY-OAQYLSRUSA-N 2 1 355.526 3.020 20 0 FGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000422564874 500275299 /nfs/dbraw/zinc/27/52/99/500275299.db2.gz WWBYRHNLGNNDAV-QKLQHJQFSA-N 2 1 369.509 3.474 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418431029 500275763 /nfs/dbraw/zinc/27/57/63/500275763.db2.gz WBFZKQFPLZVEKB-PWRODBHTSA-N 2 1 372.557 3.056 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418443574 500277411 /nfs/dbraw/zinc/27/74/11/500277411.db2.gz APNQOKMMMHPWTH-ZWKOTPCHSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418443574 500277413 /nfs/dbraw/zinc/27/74/13/500277413.db2.gz APNQOKMMMHPWTH-ZWKOTPCHSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740694 500278589 /nfs/dbraw/zinc/27/85/89/500278589.db2.gz BZKSUCXRBQXGBL-PGRDOPGGSA-N 2 1 365.521 3.277 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422641693 500285226 /nfs/dbraw/zinc/28/52/26/500285226.db2.gz YJGROVDEOUUXSG-IGGJEDBVSA-N 2 1 373.541 3.054 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422641693 500285229 /nfs/dbraw/zinc/28/52/29/500285229.db2.gz YJGROVDEOUUXSG-IGGJEDBVSA-N 2 1 373.541 3.054 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503850 500285823 /nfs/dbraw/zinc/28/58/23/500285823.db2.gz ZUCJJLGKTPIHPI-UWJYYQICSA-N 2 1 368.525 3.213 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707516 500287665 /nfs/dbraw/zinc/28/76/65/500287665.db2.gz AGQHYBXSFIAMJO-FKBYEOEOSA-N 2 1 353.510 3.430 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422719718 500289391 /nfs/dbraw/zinc/28/93/91/500289391.db2.gz REIXVWBOQQNNIQ-WWPVKYPJSA-N 2 1 351.538 3.099 20 0 FGADMP Brc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422731105 500291239 /nfs/dbraw/zinc/29/12/39/500291239.db2.gz KZILHAFKBAVIHN-BZUAXINKSA-N 2 1 363.303 3.107 20 0 FGADMP CCc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422790486 500298086 /nfs/dbraw/zinc/29/80/86/500298086.db2.gz CCAPNKWEQIOFEL-QYWGDWMGSA-N 2 1 374.550 3.457 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2CC)CC1 ZINC000418642452 500300013 /nfs/dbraw/zinc/30/00/13/500300013.db2.gz AKVSUMSQLGXDAK-NRFANRHFSA-N 2 1 374.573 3.402 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000418654043 500301775 /nfs/dbraw/zinc/30/17/75/500301775.db2.gz BKQRUNNNKDCQML-FQEVSTJZSA-N 2 1 358.530 3.127 20 0 FGADMP c1cc(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824676 500302773 /nfs/dbraw/zinc/30/27/73/500302773.db2.gz HVJLFYSAVVFJLT-DNVJHFABSA-N 2 1 371.569 3.309 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418665356 500304068 /nfs/dbraw/zinc/30/40/68/500304068.db2.gz CAGCFYHIHKCMNR-MSOLQXFVSA-N 2 1 352.567 3.190 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837644 500304333 /nfs/dbraw/zinc/30/43/33/500304333.db2.gz MQTFMTLELFSHGW-WIYYLYMNSA-N 2 1 359.558 3.044 20 0 FGADMP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418681753 500307140 /nfs/dbraw/zinc/30/71/40/500307140.db2.gz ZCAUIYZNKITSME-QWFCFKBJSA-N 2 1 360.546 3.371 20 0 FGADMP COc1ccc(OCc2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000430925898 500307864 /nfs/dbraw/zinc/30/78/64/500307864.db2.gz MBNMEBJIRMFTQO-CQSZACIVSA-N 2 1 361.511 3.290 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418716631 500311991 /nfs/dbraw/zinc/31/19/91/500311991.db2.gz JGFNRWJMCRUZLD-SFTDATJTSA-N 2 1 372.557 3.058 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)[C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000422913016 500315426 /nfs/dbraw/zinc/31/54/26/500315426.db2.gz OVRGYKGJWXMMFN-ROUUACIJSA-N 3 1 350.576 3.038 20 0 FGADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422944328 500321042 /nfs/dbraw/zinc/32/10/42/500321042.db2.gz LLSCPQIEYYVEGC-OWCLPIDISA-N 2 1 353.304 3.468 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000423014494 500330664 /nfs/dbraw/zinc/33/06/64/500330664.db2.gz PFRBAHPMAXRNDY-MFKMUULPSA-N 2 1 351.800 3.110 20 0 FGADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423124131 500345366 /nfs/dbraw/zinc/34/53/66/500345366.db2.gz MCKSLFKTBSVPFC-KNXALSJPSA-N 2 1 364.358 3.230 20 0 FGADMP CC(C)(C)CCOc1cnccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423128858 500346491 /nfs/dbraw/zinc/34/64/91/500346491.db2.gz QQJVIBXTIXFKGY-GUDVDZBRSA-N 2 1 361.530 3.143 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1Br ZINC000423158818 500350065 /nfs/dbraw/zinc/35/00/65/500350065.db2.gz DLTJMAWPWVLYCW-UAGQMJEPSA-N 2 1 353.304 3.004 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423190541 500353616 /nfs/dbraw/zinc/35/36/16/500353616.db2.gz SAIRUQLSFGNMPB-RLLPEYFOSA-N 2 1 365.521 3.258 20 0 FGADMP C[C@H]([NH3+])CC[NH2+][C@@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423225150 500355768 /nfs/dbraw/zinc/35/57/68/500355768.db2.gz LKJDXABFHXZSEE-UGSOOPFHSA-N 2 1 366.914 3.160 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000423262235 500359475 /nfs/dbraw/zinc/35/94/75/500359475.db2.gz MBNKICKAITUWSK-KBXCAEBGSA-N 2 1 353.532 3.006 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000423332288 500364788 /nfs/dbraw/zinc/36/47/88/500364788.db2.gz QSJZDTCJFNOILL-INIZCTEOSA-N 2 1 351.494 3.273 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000423404993 500371233 /nfs/dbraw/zinc/37/12/33/500371233.db2.gz YOWWNYQBOZVJFZ-RLLQIKCJSA-N 2 1 357.542 3.276 20 0 FGADMP Cc1cc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000427231379 500371298 /nfs/dbraw/zinc/37/12/98/500371298.db2.gz KTUWCGHDMZHDAF-HXUWFJFHSA-N 2 1 358.530 3.117 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423445083 500375576 /nfs/dbraw/zinc/37/55/76/500375576.db2.gz XHGBFZJMZRHDMF-YSFPZDHXSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423445083 500375578 /nfs/dbraw/zinc/37/55/78/500375578.db2.gz XHGBFZJMZRHDMF-YSFPZDHXSA-N 2 1 353.554 3.407 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272829 500376302 /nfs/dbraw/zinc/37/63/02/500376302.db2.gz DTHLEQCKZDGHGC-HNNXBMFYSA-N 2 1 363.468 3.032 20 0 FGADMP CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272829 500376305 /nfs/dbraw/zinc/37/63/05/500376305.db2.gz DTHLEQCKZDGHGC-HNNXBMFYSA-N 2 1 363.468 3.032 20 0 FGADMP CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)CCC(F)(F)F ZINC000427272829 500376307 /nfs/dbraw/zinc/37/63/07/500376307.db2.gz DTHLEQCKZDGHGC-HNNXBMFYSA-N 2 1 363.468 3.032 20 0 FGADMP COCC[N@H+](C)CC[C@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccccc1 ZINC000431427420 500376382 /nfs/dbraw/zinc/37/63/82/500376382.db2.gz NRIBSIVDCVBPTO-SFHVURJKSA-N 2 1 370.472 3.256 20 0 FGADMP COCC[N@@H+](C)CC[C@H](Nc1[nH+]c2ccc(F)cc2n1C)c1ccccc1 ZINC000431427420 500376383 /nfs/dbraw/zinc/37/63/83/500376383.db2.gz NRIBSIVDCVBPTO-SFHVURJKSA-N 2 1 370.472 3.256 20 0 FGADMP CC[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423551545 500384519 /nfs/dbraw/zinc/38/45/19/500384519.db2.gz GCJMLBDCEIMVHA-IBGZPJMESA-N 2 1 356.489 3.255 20 0 FGADMP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000419696435 500390161 /nfs/dbraw/zinc/39/01/61/500390161.db2.gz VEMHSOYASDBARV-RBUKOAKNSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423793865 500402086 /nfs/dbraw/zinc/40/20/86/500402086.db2.gz DCZKBFHFDGKWLO-VXGBXAGGSA-N 2 1 358.313 3.057 20 0 FGADMP [NH3+]CC1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC1 ZINC000423852472 500411908 /nfs/dbraw/zinc/41/19/08/500411908.db2.gz RQTOPSWCJMGPDG-UHFFFAOYSA-N 2 1 355.526 3.020 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907636 500418640 /nfs/dbraw/zinc/41/86/40/500418640.db2.gz RONUYNURHYDODC-BURNTYAHSA-N 2 1 355.526 3.017 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000423937937 500421129 /nfs/dbraw/zinc/42/11/29/500421129.db2.gz HWOHSNWTVUQKFK-MOPGFXCFSA-N 2 1 359.901 3.321 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000423937940 500421540 /nfs/dbraw/zinc/42/15/40/500421540.db2.gz HWOHSNWTVUQKFK-RTBURBONSA-N 2 1 359.901 3.321 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431830262 500430383 /nfs/dbraw/zinc/43/03/83/500430383.db2.gz JHKPEYRKIMGKRU-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@H](C)C[C@@H]3C[NH3+])c2c1C ZINC000420268781 500430968 /nfs/dbraw/zinc/43/09/68/500430968.db2.gz ZLCUVKKMQBLASR-XJKSGUPXSA-N 2 1 373.570 3.468 20 0 FGADMP C[C@](C[NH3+])([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297660 500435806 /nfs/dbraw/zinc/43/58/06/500435806.db2.gz ZAFLUTSPAUNGGQ-WOJBJXKFSA-N 2 1 357.523 3.061 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295019 500435817 /nfs/dbraw/zinc/43/58/17/500435817.db2.gz BUBDXPDCJUEEHC-LAUBAEHRSA-N 2 1 351.494 3.034 20 0 FGADMP CCC[N@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420294190 500435851 /nfs/dbraw/zinc/43/58/51/500435851.db2.gz AVOCTJLQLHPPOQ-IEBWSBKVSA-N 2 1 369.509 3.477 20 0 FGADMP CCC[N@@H+](C[C@@H](C[NH3+])c1ccc(OC)cc1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420294190 500435854 /nfs/dbraw/zinc/43/58/54/500435854.db2.gz AVOCTJLQLHPPOQ-IEBWSBKVSA-N 2 1 369.509 3.477 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)cc1OC ZINC000420301642 500437500 /nfs/dbraw/zinc/43/75/00/500437500.db2.gz AQDVYSSIZQVQEJ-CQSZACIVSA-N 2 1 361.511 3.388 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000420326255 500441385 /nfs/dbraw/zinc/44/13/85/500441385.db2.gz XBSMKODSBBTJIU-SFHVURJKSA-N 2 1 370.493 3.419 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000420326255 500441388 /nfs/dbraw/zinc/44/13/88/500441388.db2.gz XBSMKODSBBTJIU-SFHVURJKSA-N 2 1 370.493 3.419 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000420332543 500443577 /nfs/dbraw/zinc/44/35/77/500443577.db2.gz RVSHZWGKIWFOMC-CYBMUJFWSA-N 2 1 359.297 3.060 20 0 FGADMP [NH3+]C[C@@H]([NH2+]CCOc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000420364732 500448531 /nfs/dbraw/zinc/44/85/31/500448531.db2.gz KPTXLNDFGBCOCG-MRXNPFEDSA-N 2 1 359.283 3.464 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000420374498 500450084 /nfs/dbraw/zinc/45/00/84/500450084.db2.gz NUIUHRIWRDJPEM-QFBILLFUSA-N 2 1 359.539 3.178 20 0 FGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000420383040 500451651 /nfs/dbraw/zinc/45/16/51/500451651.db2.gz QJAQRZPDSQFGPE-MRXNPFEDSA-N 2 1 363.893 3.015 20 0 FGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000420383040 500451653 /nfs/dbraw/zinc/45/16/53/500451653.db2.gz QJAQRZPDSQFGPE-MRXNPFEDSA-N 2 1 363.893 3.015 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404587 500456313 /nfs/dbraw/zinc/45/63/13/500456313.db2.gz MGEVZCBSKFNXJI-NWZZKEMCSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404587 500456314 /nfs/dbraw/zinc/45/63/14/500456314.db2.gz MGEVZCBSKFNXJI-NWZZKEMCSA-N 2 1 353.510 3.322 20 0 FGADMP CC(C)n1cncc1C[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000424139986 500459637 /nfs/dbraw/zinc/45/96/37/500459637.db2.gz VXTCNWWKYNUOJS-UHFFFAOYSA-N 2 1 369.557 3.152 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000428029596 500459620 /nfs/dbraw/zinc/45/96/20/500459620.db2.gz DYBXMCBUBKNJDH-BBTUJRGHSA-N 2 1 369.534 3.028 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000428029596 500459624 /nfs/dbraw/zinc/45/96/24/500459624.db2.gz DYBXMCBUBKNJDH-BBTUJRGHSA-N 2 1 369.534 3.028 20 0 FGADMP CCC[N@H+](CCCc1c[nH+]cn1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000582367745 506197301 /nfs/dbraw/zinc/19/73/01/506197301.db2.gz BOPCKGSEIBNKKH-UHFFFAOYSA-N 2 1 370.545 3.141 20 0 FGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000582367745 506197303 /nfs/dbraw/zinc/19/73/03/506197303.db2.gz BOPCKGSEIBNKKH-UHFFFAOYSA-N 2 1 370.545 3.141 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283330 500480910 /nfs/dbraw/zinc/48/09/10/500480910.db2.gz BJSIHXVTJYWLDU-AWEZNQCLSA-N 2 1 365.905 3.141 20 0 FGADMP CC[C@H]1CCC[N@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428213244 500482356 /nfs/dbraw/zinc/48/23/56/500482356.db2.gz RDMARPRKQWTZED-INIZCTEOSA-N 2 1 350.532 3.188 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1 ZINC000424293198 500482762 /nfs/dbraw/zinc/48/27/62/500482762.db2.gz CQGQEIAETPGVTH-HXUWFJFHSA-N 2 1 372.582 3.290 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc3ccc(Br)cn13)CC[NH2+]CC2 ZINC000424370334 500492418 /nfs/dbraw/zinc/49/24/18/500492418.db2.gz CEPSFIKFRRUVRT-CYBMUJFWSA-N 2 1 363.303 3.061 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368909 500492582 /nfs/dbraw/zinc/49/25/82/500492582.db2.gz ARTNNJFLTFTAKX-AWEZNQCLSA-N 2 1 372.465 3.192 20 0 FGADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(SC)cc1OC ZINC000424380505 500494426 /nfs/dbraw/zinc/49/44/26/500494426.db2.gz PSIKRTMCHOXLCJ-CQSZACIVSA-N 2 1 350.528 3.390 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000424446209 500507294 /nfs/dbraw/zinc/50/72/94/500507294.db2.gz QWFAAORYRXYFCO-UHFFFAOYSA-N 2 1 352.482 3.112 20 0 FGADMP COc1ccc([C@H](C)C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424766 500508794 /nfs/dbraw/zinc/50/87/94/500508794.db2.gz SLJJLFQFULEYJK-AUSIDOKSSA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@H](C)C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424766 500508796 /nfs/dbraw/zinc/50/87/96/500508796.db2.gz SLJJLFQFULEYJK-AUSIDOKSSA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@H](C)C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428424766 500508799 /nfs/dbraw/zinc/50/87/99/500508799.db2.gz SLJJLFQFULEYJK-AUSIDOKSSA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@H](C)C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428424766 500508801 /nfs/dbraw/zinc/50/88/01/500508801.db2.gz SLJJLFQFULEYJK-AUSIDOKSSA-N 2 1 368.521 3.368 20 0 FGADMP C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435594 500509772 /nfs/dbraw/zinc/50/97/72/500509772.db2.gz ZVVAGXUMEXQDIC-VABKMULXSA-N 2 1 350.506 3.359 20 0 FGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435594 500509775 /nfs/dbraw/zinc/50/97/75/500509775.db2.gz ZVVAGXUMEXQDIC-VABKMULXSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435594 500509776 /nfs/dbraw/zinc/50/97/76/500509776.db2.gz ZVVAGXUMEXQDIC-VABKMULXSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435594 500509779 /nfs/dbraw/zinc/50/97/79/500509779.db2.gz ZVVAGXUMEXQDIC-VABKMULXSA-N 2 1 350.506 3.359 20 0 FGADMP CC(C)c1ncc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000428438623 500509846 /nfs/dbraw/zinc/50/98/46/500509846.db2.gz KKGHIXWSWWTUJK-HXUWFJFHSA-N 2 1 359.539 3.335 20 0 FGADMP C[C@@H]1C[C@H](c2cccnc2)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420922458 500530977 /nfs/dbraw/zinc/53/09/77/500530977.db2.gz OFTDKYASIPDDJH-XMSQKQJNSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@@H]1C[C@H](c2cccnc2)[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420922458 500530980 /nfs/dbraw/zinc/53/09/80/500530980.db2.gz OFTDKYASIPDDJH-XMSQKQJNSA-N 2 1 351.494 3.497 20 0 FGADMP CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420923991 500531831 /nfs/dbraw/zinc/53/18/31/500531831.db2.gz RQQKURCXWYNCHQ-OAQYLSRUSA-N 2 1 374.525 3.073 20 0 FGADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420923991 500531833 /nfs/dbraw/zinc/53/18/33/500531833.db2.gz RQQKURCXWYNCHQ-OAQYLSRUSA-N 2 1 374.525 3.073 20 0 FGADMP c1ccc2c(c1)CO[C@]21CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927525 500532631 /nfs/dbraw/zinc/53/26/31/500532631.db2.gz ZYEJAMXTDFNHCP-QHCPKHFHSA-N 2 1 364.489 3.150 20 0 FGADMP c1ccc2c(c1)CO[C@]21CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927525 500532633 /nfs/dbraw/zinc/53/26/33/500532633.db2.gz ZYEJAMXTDFNHCP-QHCPKHFHSA-N 2 1 364.489 3.150 20 0 FGADMP C[C@H](CCO)[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929937 500533388 /nfs/dbraw/zinc/53/33/88/500533388.db2.gz FCALBFDTYFMQBA-HXUWFJFHSA-N 2 1 368.521 3.292 20 0 FGADMP C[C@H](CCO)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929937 500533390 /nfs/dbraw/zinc/53/33/90/500533390.db2.gz FCALBFDTYFMQBA-HXUWFJFHSA-N 2 1 368.521 3.292 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)c2C)cc1 ZINC000432800884 500565979 /nfs/dbraw/zinc/56/59/79/500565979.db2.gz RQNVPBQALVJTIH-FQEVSTJZSA-N 2 1 370.541 3.473 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)c2C)cc1 ZINC000432800884 500565981 /nfs/dbraw/zinc/56/59/81/500565981.db2.gz RQNVPBQALVJTIH-FQEVSTJZSA-N 2 1 370.541 3.473 20 0 FGADMP CCCc1ccc([C@@H](C)[N@H+](CC(N)=O)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000576642447 506204353 /nfs/dbraw/zinc/20/43/53/506204353.db2.gz DYAXGNYXQUHCQW-QGZVFWFLSA-N 2 1 365.521 3.333 20 0 FGADMP CCCc1ccc([C@@H](C)[N@@H+](CC(N)=O)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000576642447 506204354 /nfs/dbraw/zinc/20/43/54/506204354.db2.gz DYAXGNYXQUHCQW-QGZVFWFLSA-N 2 1 365.521 3.333 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625770 500605483 /nfs/dbraw/zinc/60/54/83/500605483.db2.gz OXOCPLRBKYUSDW-RBUKOAKNSA-N 2 1 364.578 3.014 20 0 FGADMP CNC(=O)C1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000447540689 500621181 /nfs/dbraw/zinc/62/11/81/500621181.db2.gz KFJCUODRQDYMBY-ZHLPAPNQSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761804 500621953 /nfs/dbraw/zinc/62/19/53/500621953.db2.gz YTFCPKVRZVSYBJ-ZHALLVOQSA-N 2 1 367.493 3.262 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCc2ccccc2)cc1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761804 500621954 /nfs/dbraw/zinc/62/19/54/500621954.db2.gz YTFCPKVRZVSYBJ-ZHALLVOQSA-N 2 1 367.493 3.262 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1F ZINC000442790823 500626013 /nfs/dbraw/zinc/62/60/13/500626013.db2.gz MHTYHOAFUQHAME-SJPCQFCGSA-N 2 1 358.461 3.332 20 0 FGADMP CC(C)OCC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433128206 500631575 /nfs/dbraw/zinc/63/15/75/500631575.db2.gz WEWZJBJCWXZYTI-OAQYLSRUSA-N 2 1 360.542 3.151 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433135600 500632985 /nfs/dbraw/zinc/63/29/85/500632985.db2.gz JPMJFLQXJRWEQM-SFHVURJKSA-N 3 1 372.557 3.203 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433135600 500632987 /nfs/dbraw/zinc/63/29/87/500632987.db2.gz JPMJFLQXJRWEQM-SFHVURJKSA-N 2 1 372.557 3.203 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433135600 500632990 /nfs/dbraw/zinc/63/29/90/500632990.db2.gz JPMJFLQXJRWEQM-SFHVURJKSA-N 2 1 372.557 3.203 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000442953730 500652752 /nfs/dbraw/zinc/65/27/52/500652752.db2.gz BQFRJOUSOSAUBP-FYYLOGMGSA-N 2 1 369.553 3.089 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000442996392 500660456 /nfs/dbraw/zinc/66/04/56/500660456.db2.gz WFCYNUFERHVLKD-KRWDZBQOSA-N 2 1 371.447 3.046 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000442996392 500660459 /nfs/dbraw/zinc/66/04/59/500660459.db2.gz WFCYNUFERHVLKD-KRWDZBQOSA-N 2 1 371.447 3.046 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776806 500693845 /nfs/dbraw/zinc/69/38/45/500693845.db2.gz PXYYIDPNUWQEAU-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437776806 500693848 /nfs/dbraw/zinc/69/38/48/500693848.db2.gz PXYYIDPNUWQEAU-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437776806 500693850 /nfs/dbraw/zinc/69/38/50/500693850.db2.gz PXYYIDPNUWQEAU-QUCCMNQESA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)N1CCC[C@H]([N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947779 500694442 /nfs/dbraw/zinc/69/44/42/500694442.db2.gz IBZMJFXGTJLDCQ-ZWKOTPCHSA-N 2 1 361.555 3.092 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215801 500733890 /nfs/dbraw/zinc/73/38/90/500733890.db2.gz ZTRHTDICBWLALF-TZIWHRDSSA-N 2 1 374.573 3.265 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000448519242 500767091 /nfs/dbraw/zinc/76/70/91/500767091.db2.gz CJECOLLCWWUJNZ-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000448519242 500767094 /nfs/dbraw/zinc/76/70/94/500767094.db2.gz CJECOLLCWWUJNZ-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000448519242 500767096 /nfs/dbraw/zinc/76/70/96/500767096.db2.gz CJECOLLCWWUJNZ-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433940269 500768221 /nfs/dbraw/zinc/76/82/21/500768221.db2.gz KQCJJHVFCYFDLG-LEWJYISDSA-N 2 1 370.541 3.140 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000438329023 500770782 /nfs/dbraw/zinc/77/07/82/500770782.db2.gz OXFMLAQFOXFUNQ-PMACEKPBSA-N 2 1 362.562 3.053 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000438344373 500773932 /nfs/dbraw/zinc/77/39/32/500773932.db2.gz GZYQDZGMEULNLB-VQTJNVASSA-N 2 1 362.562 3.053 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348435 500774388 /nfs/dbraw/zinc/77/43/88/500774388.db2.gz XKLCFBPEXLTDNB-FXAWDEMLSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3ccccc3cc2OC)CC1 ZINC000449075291 500918942 /nfs/dbraw/zinc/91/89/42/500918942.db2.gz DPZHGHKHYWGWHD-UHFFFAOYSA-N 2 1 355.526 3.356 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132187 500931919 /nfs/dbraw/zinc/93/19/19/500931919.db2.gz SMQUQDOHIRVORJ-PKOBYXMFSA-N 2 1 366.571 3.438 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449132187 500931920 /nfs/dbraw/zinc/93/19/20/500931920.db2.gz SMQUQDOHIRVORJ-PKOBYXMFSA-N 2 1 366.571 3.438 20 0 FGADMP C([NH2+]C1CCC(OC2CCCC2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000449133287 500932187 /nfs/dbraw/zinc/93/21/87/500932187.db2.gz XVYWOGKXNYUCIC-UHFFFAOYSA-N 2 1 350.547 3.491 20 0 FGADMP CSCC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449170695 500939782 /nfs/dbraw/zinc/93/97/82/500939782.db2.gz RNIRCNZMHBHEJN-MAHYXTOZSA-N 2 1 362.583 3.381 20 0 FGADMP CSCC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449170695 500939783 /nfs/dbraw/zinc/93/97/83/500939783.db2.gz RNIRCNZMHBHEJN-MAHYXTOZSA-N 2 1 362.583 3.381 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000449169816 500939894 /nfs/dbraw/zinc/93/98/94/500939894.db2.gz PLTMEHGCUQUCIP-DFQSSKMNSA-N 2 1 359.558 3.428 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449219206 500950780 /nfs/dbraw/zinc/95/07/80/500950780.db2.gz MTSYFJKDGGAJEK-HXUWFJFHSA-N 2 1 371.525 3.160 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCC1 ZINC000449223704 500952038 /nfs/dbraw/zinc/95/20/38/500952038.db2.gz YNDCNQRZCUHADY-NRFANRHFSA-N 2 1 373.541 3.406 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OCc1cccnc1 ZINC000435384222 500964833 /nfs/dbraw/zinc/96/48/33/500964833.db2.gz LNYLTJZOOHPFGV-VQIMIIECSA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000435386720 500965186 /nfs/dbraw/zinc/96/51/86/500965186.db2.gz VJKODEARUBKZSO-IAGOWNOFSA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000435386720 500965188 /nfs/dbraw/zinc/96/51/88/500965188.db2.gz VJKODEARUBKZSO-IAGOWNOFSA-N 2 1 355.482 3.228 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@@H]12 ZINC000435388521 500965724 /nfs/dbraw/zinc/96/57/24/500965724.db2.gz GFSUICBKYQVASS-BVPBIZIASA-N 2 1 350.890 3.067 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@@H]12 ZINC000435388521 500965726 /nfs/dbraw/zinc/96/57/26/500965726.db2.gz GFSUICBKYQVASS-BVPBIZIASA-N 2 1 350.890 3.067 20 0 FGADMP Ic1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000449297168 500969285 /nfs/dbraw/zinc/96/92/85/500969285.db2.gz FMJIUBVEZTWNOH-UHFFFAOYSA-N 2 1 370.278 3.398 20 0 FGADMP COc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc2ccccc21 ZINC000449326197 500978542 /nfs/dbraw/zinc/97/85/42/500978542.db2.gz SZWJLTXWSCLZNH-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000440272027 500993131 /nfs/dbraw/zinc/99/31/31/500993131.db2.gz TVMINCPKRFQLFF-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000440272027 500993133 /nfs/dbraw/zinc/99/31/33/500993133.db2.gz TVMINCPKRFQLFF-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000440272027 500993135 /nfs/dbraw/zinc/99/31/35/500993135.db2.gz TVMINCPKRFQLFF-WIYYLYMNSA-N 2 1 357.542 3.420 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](OCC)[C@H](C)C2)CC1 ZINC000449491488 501015804 /nfs/dbraw/zinc/01/58/04/501015804.db2.gz HCCWTKQUPVYVAK-DENIHFKCSA-N 2 1 359.558 3.466 20 0 FGADMP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000449490150 501016044 /nfs/dbraw/zinc/01/60/44/501016044.db2.gz BPORTCUOVOFLLQ-WBVHZDCISA-N 2 1 351.560 3.450 20 0 FGADMP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000449490150 501016047 /nfs/dbraw/zinc/01/60/47/501016047.db2.gz BPORTCUOVOFLLQ-WBVHZDCISA-N 2 1 351.560 3.450 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504133 501019480 /nfs/dbraw/zinc/01/94/80/501019480.db2.gz QBZROGUGPHMXRF-VVMUCNELSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504133 501019483 /nfs/dbraw/zinc/01/94/83/501019483.db2.gz QBZROGUGPHMXRF-VVMUCNELSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504133 501019485 /nfs/dbraw/zinc/01/94/85/501019485.db2.gz QBZROGUGPHMXRF-VVMUCNELSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000449504133 501019486 /nfs/dbraw/zinc/01/94/86/501019486.db2.gz QBZROGUGPHMXRF-VVMUCNELSA-N 2 1 369.553 3.356 20 0 FGADMP COc1c(C)c[nH+]c(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)c1C ZINC000435732117 501019702 /nfs/dbraw/zinc/01/97/02/501019702.db2.gz NFUASYXOODAEOZ-INIZCTEOSA-N 2 1 360.527 3.084 20 0 FGADMP CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000449511516 501021911 /nfs/dbraw/zinc/02/19/11/501021911.db2.gz NNBSRDBKNDEPNU-DNVCBOLYSA-N 2 1 353.576 3.288 20 0 FGADMP CC(C)[C@@H](CO)[C@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000449511516 501021913 /nfs/dbraw/zinc/02/19/13/501021913.db2.gz NNBSRDBKNDEPNU-DNVCBOLYSA-N 2 1 353.576 3.288 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@H](C)C1 ZINC000449547585 501029766 /nfs/dbraw/zinc/02/97/66/501029766.db2.gz IXBKFLRCUNGAEW-ALKREAHSSA-N 2 1 374.479 3.463 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@H]3C2)CC1 ZINC000449550157 501030775 /nfs/dbraw/zinc/03/07/75/501030775.db2.gz CJKKCSKMVBEBNP-URVUXULASA-N 2 1 371.569 3.202 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(F)ccc3Cl)CC2)CC1 ZINC000445797543 501033771 /nfs/dbraw/zinc/03/37/71/501033771.db2.gz JXHPUQLLOPIYMO-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)NCCc1ccccc1 ZINC000449578515 501037031 /nfs/dbraw/zinc/03/70/31/501037031.db2.gz NHYNBYWAXANDRJ-SFHVURJKSA-N 2 1 357.542 3.121 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000449615786 501043739 /nfs/dbraw/zinc/04/37/39/501043739.db2.gz ABLSBFSYVUPKKB-FQEVSTJZSA-N 2 1 359.558 3.202 20 0 FGADMP COC(=O)CC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791247 501048987 /nfs/dbraw/zinc/04/89/87/501048987.db2.gz NIZNYKHZKLDPLD-VQTJNVASSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791247 501048990 /nfs/dbraw/zinc/04/89/90/501048990.db2.gz NIZNYKHZKLDPLD-VQTJNVASSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000440791247 501048992 /nfs/dbraw/zinc/04/89/92/501048992.db2.gz NIZNYKHZKLDPLD-VQTJNVASSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000440791247 501048995 /nfs/dbraw/zinc/04/89/95/501048995.db2.gz NIZNYKHZKLDPLD-VQTJNVASSA-N 2 1 356.510 3.316 20 0 FGADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1sc2ccccc2c1Cl ZINC000436053611 501063647 /nfs/dbraw/zinc/06/36/47/501063647.db2.gz OKZXENGBAHKKMH-ZDUSSCGKSA-N 2 1 365.930 3.374 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248808 501108145 /nfs/dbraw/zinc/10/81/45/501108145.db2.gz AZCXZINDFMOSPM-NXHRZFHOSA-N 2 1 372.431 3.311 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450390371 501109169 /nfs/dbraw/zinc/10/91/69/501109169.db2.gz KNGRKSWEZAPHTR-SFHVURJKSA-N 2 1 371.516 3.078 20 0 FGADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(OC(F)F)cc1C ZINC000441348229 501124165 /nfs/dbraw/zinc/12/41/65/501124165.db2.gz MMLJUBZOFWELKW-UHFFFAOYSA-N 2 1 355.473 3.020 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356266 501126197 /nfs/dbraw/zinc/12/61/97/501126197.db2.gz LOJBQAXDQSXBMK-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356266 501126198 /nfs/dbraw/zinc/12/61/98/501126198.db2.gz LOJBQAXDQSXBMK-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356266 501126200 /nfs/dbraw/zinc/12/62/00/501126200.db2.gz LOJBQAXDQSXBMK-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1cccc(C(F)(F)F)c1 ZINC000441356266 501126202 /nfs/dbraw/zinc/12/62/02/501126202.db2.gz LOJBQAXDQSXBMK-DLBZAZTESA-N 2 1 374.447 3.251 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2ccccc2c1O ZINC000436531100 501149152 /nfs/dbraw/zinc/14/91/52/501149152.db2.gz DNTYEPVHJPONLA-GOSISDBHSA-N 2 1 369.509 3.034 20 0 FGADMP Cc1sccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450057122 501166915 /nfs/dbraw/zinc/16/69/15/501166915.db2.gz CTBKMBBXRWLSNI-UHFFFAOYSA-N 2 1 363.571 3.325 20 0 FGADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640440 501173294 /nfs/dbraw/zinc/17/32/94/501173294.db2.gz MDPJSPKMELDCSK-XMSQKQJNSA-N 2 1 353.510 3.394 20 0 FGADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000450875727 501222472 /nfs/dbraw/zinc/22/24/72/501222472.db2.gz NXHHBZFXNSGXIV-HXUWFJFHSA-N 2 1 372.582 3.337 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450875727 501222475 /nfs/dbraw/zinc/22/24/75/501222475.db2.gz NXHHBZFXNSGXIV-HXUWFJFHSA-N 2 1 372.582 3.337 20 0 FGADMP Cc1ncsc1C[NH+](C)C[C@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000450875727 501222476 /nfs/dbraw/zinc/22/24/76/501222476.db2.gz NXHHBZFXNSGXIV-HXUWFJFHSA-N 2 1 372.582 3.337 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1)[C@@H]1CCC[C@H]1O ZINC000450983497 501237002 /nfs/dbraw/zinc/23/70/02/501237002.db2.gz YJTFNXBPWXWSOU-UAFMIMERSA-N 2 1 366.933 3.030 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018480 501239469 /nfs/dbraw/zinc/23/94/69/501239469.db2.gz MQQKWBHJLBFWBK-OALUTQOASA-N 2 1 358.530 3.009 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018480 501239470 /nfs/dbraw/zinc/23/94/70/501239470.db2.gz MQQKWBHJLBFWBK-OALUTQOASA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018480 501239471 /nfs/dbraw/zinc/23/94/71/501239471.db2.gz MQQKWBHJLBFWBK-OALUTQOASA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018480 501239472 /nfs/dbraw/zinc/23/94/72/501239472.db2.gz MQQKWBHJLBFWBK-OALUTQOASA-N 2 1 358.530 3.009 20 0 FGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090392 501267176 /nfs/dbraw/zinc/26/71/76/501267176.db2.gz OSJVQOUIMICCRW-IAGOWNOFSA-N 2 1 352.544 3.134 20 0 FGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090392 501267177 /nfs/dbraw/zinc/26/71/77/501267177.db2.gz OSJVQOUIMICCRW-IAGOWNOFSA-N 2 1 352.544 3.134 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)C1 ZINC000453109349 501271276 /nfs/dbraw/zinc/27/12/76/501271276.db2.gz MHVYLSILEQZIHO-LEWJYISDSA-N 2 1 355.526 3.052 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000457652761 501278181 /nfs/dbraw/zinc/27/81/81/501278181.db2.gz AVXDANCKCVMDTQ-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453153532 501280449 /nfs/dbraw/zinc/28/04/49/501280449.db2.gz VFPKNHGVKDDFBW-DOIPELPJSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)(F)F ZINC000453165137 501282726 /nfs/dbraw/zinc/28/27/26/501282726.db2.gz AYWSDXRCCICYDY-MHORFTMASA-N 2 1 356.432 3.333 20 0 FGADMP CN(C)c1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453167454 501283184 /nfs/dbraw/zinc/28/31/84/501283184.db2.gz RPUXVDFAFJUAEI-HBMCJLEFSA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453167454 501283186 /nfs/dbraw/zinc/28/31/86/501283186.db2.gz RPUXVDFAFJUAEI-HBMCJLEFSA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453167454 501283190 /nfs/dbraw/zinc/28/31/90/501283190.db2.gz RPUXVDFAFJUAEI-HBMCJLEFSA-N 2 1 365.525 3.075 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)nc1 ZINC000453179890 501286359 /nfs/dbraw/zinc/28/63/59/501286359.db2.gz PPQOVOHSAFZTKM-NJDAHSKKSA-N 2 1 350.510 3.360 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000453252477 501299828 /nfs/dbraw/zinc/29/98/28/501299828.db2.gz IRYKKNCAFYGAML-APWZRJJASA-N 2 1 367.559 3.219 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2NC[C@@H]1CCC[N@H+]1CCCO ZINC000453278726 501306949 /nfs/dbraw/zinc/30/69/49/501306949.db2.gz ZDOLDXOSSSFJPD-WMZOPIPTSA-N 2 1 352.906 3.299 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525767 501313130 /nfs/dbraw/zinc/31/31/30/501313130.db2.gz BBAOARHUKPTIML-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525767 501313133 /nfs/dbraw/zinc/31/31/33/501313133.db2.gz BBAOARHUKPTIML-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525767 501313135 /nfs/dbraw/zinc/31/31/35/501313135.db2.gz BBAOARHUKPTIML-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525767 501313138 /nfs/dbraw/zinc/31/31/38/501313138.db2.gz BBAOARHUKPTIML-PZJWPPBQSA-N 2 1 357.542 3.322 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380065 501322381 /nfs/dbraw/zinc/32/23/81/501322381.db2.gz ZMDUYSGSQBWCDU-UMHPPVOVSA-N 2 1 374.479 3.461 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329542 /nfs/dbraw/zinc/32/95/42/501329542.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329544 /nfs/dbraw/zinc/32/95/44/501329544.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@H](C)C2)C[C@@H]1C ZINC000451578751 501329547 /nfs/dbraw/zinc/32/95/47/501329547.db2.gz XMFRYLPFQOCPOO-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455915607 501414385 /nfs/dbraw/zinc/41/43/85/501414385.db2.gz KMAFVWWGJWQPAF-LJQANCHMSA-N 2 1 355.486 3.342 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000454190242 501478947 /nfs/dbraw/zinc/47/89/47/501478947.db2.gz IJZCSLLSCOBNFC-IBGZPJMESA-N 2 1 372.557 3.023 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596096674 506255777 /nfs/dbraw/zinc/25/57/77/506255777.db2.gz WZOZXFMYEIOMPE-SJLPKXTDSA-N 2 1 360.498 3.011 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096674 506255780 /nfs/dbraw/zinc/25/57/80/506255780.db2.gz WZOZXFMYEIOMPE-SJLPKXTDSA-N 2 1 360.498 3.011 20 0 FGADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638177 501495414 /nfs/dbraw/zinc/49/54/14/501495414.db2.gz SUVOQNITOBGVMO-OALUTQOASA-N 2 1 364.578 3.205 20 0 FGADMP CCOC[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007308 501599749 /nfs/dbraw/zinc/59/97/49/501599749.db2.gz CWZMYCRQJSWZSP-SFTDATJTSA-N 2 1 360.542 3.006 20 0 FGADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000456978744 501629062 /nfs/dbraw/zinc/62/90/62/501629062.db2.gz ASPRCWMRTSMYTE-QFIPXVFZSA-N 2 1 363.505 3.072 20 0 FGADMP c1cc2c(cc1C1(C[NH2+]C3CC[NH+](C4CC4)CC3)CCCC1)OCCO2 ZINC000459383648 501643855 /nfs/dbraw/zinc/64/38/55/501643855.db2.gz UNYUYPDHODINHX-UHFFFAOYSA-N 2 1 356.510 3.486 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454878304 501648001 /nfs/dbraw/zinc/64/80/01/501648001.db2.gz WSHRPYPYCJJJLC-NRFANRHFSA-N 2 1 372.557 3.074 20 0 FGADMP COc1cccc([C@H]2[C@@H](NC3CC[NH+](C4CC4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000459456295 501656910 /nfs/dbraw/zinc/65/69/10/501656910.db2.gz HKNNTDSUCODZNQ-VXKWHMMOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@H]2[C@@H](NC3CC[NH+](C4CC4)CC3)CC[N@H+]2C2CC2)c1 ZINC000459456295 501656911 /nfs/dbraw/zinc/65/69/11/501656911.db2.gz HKNNTDSUCODZNQ-VXKWHMMOSA-N 2 1 355.526 3.189 20 0 FGADMP Cc1cc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)no1 ZINC000459457648 501657445 /nfs/dbraw/zinc/65/74/45/501657445.db2.gz GMJYVHRNFPNOKR-CALCHBBNSA-N 2 1 357.498 3.282 20 0 FGADMP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000459469377 501658934 /nfs/dbraw/zinc/65/89/34/501658934.db2.gz SCOHMZZZMISWQU-OOMBGRCJSA-N 2 1 350.506 3.463 20 0 FGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)ccc1O ZINC000459485401 501661892 /nfs/dbraw/zinc/66/18/92/501661892.db2.gz IVWJYSIEWNQZTG-LAUBAEHRSA-N 2 1 372.513 3.039 20 0 FGADMP COc1cccc2c1C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000459693227 501699974 /nfs/dbraw/zinc/69/99/74/501699974.db2.gz HSZPQUVTBPWEJW-OAQYLSRUSA-N 2 1 350.506 3.459 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000457495791 501710567 /nfs/dbraw/zinc/71/05/67/501710567.db2.gz ROQZZRUHQMFRHF-SJORKVTESA-N 2 1 364.559 3.011 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000457536328 501718350 /nfs/dbraw/zinc/71/83/50/501718350.db2.gz VIAYPAJCHXIQLB-HXUWFJFHSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474172864 501730063 /nfs/dbraw/zinc/73/00/63/501730063.db2.gz SVYJUBDBGZPZNF-SPEDKVCISA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000474172864 501730065 /nfs/dbraw/zinc/73/00/65/501730065.db2.gz SVYJUBDBGZPZNF-SPEDKVCISA-N 2 1 365.521 3.241 20 0 FGADMP CC(C)[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000474258036 501763982 /nfs/dbraw/zinc/76/39/82/501763982.db2.gz JDDSNNDNCHYDPG-QFIPXVFZSA-N 2 1 371.569 3.302 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)ccc1I ZINC000467373203 501779766 /nfs/dbraw/zinc/77/97/66/501779766.db2.gz KDMSIPYXOUPOIX-WFASDCNBSA-N 2 1 358.267 3.029 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300181 501782065 /nfs/dbraw/zinc/78/20/65/501782065.db2.gz XRSZIZZAUHZXBJ-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300181 501782070 /nfs/dbraw/zinc/78/20/70/501782070.db2.gz XRSZIZZAUHZXBJ-PXNSSMCTSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1Cl ZINC000474305351 501783977 /nfs/dbraw/zinc/78/39/77/501783977.db2.gz AOVVLTKJBCGPCU-FQEVSTJZSA-N 2 1 371.912 3.061 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470758276 501793984 /nfs/dbraw/zinc/79/39/84/501793984.db2.gz WDYVGTHCHNRCFX-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C(C)C)nc2C)CC1 ZINC000467444976 501796817 /nfs/dbraw/zinc/79/68/17/501796817.db2.gz XZWMOIVFMLCGHF-UHFFFAOYSA-N 2 1 350.551 3.343 20 0 FGADMP CCCN(CCC)C(=O)C[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460347171 501798957 /nfs/dbraw/zinc/79/89/57/501798957.db2.gz MTMKTQWXYSDJAD-OALUTQOASA-N 2 1 359.558 3.381 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485422416 501816714 /nfs/dbraw/zinc/81/67/14/501816714.db2.gz JUUHUUDCFYSUFD-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CCC(C)(C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485492636 501837547 /nfs/dbraw/zinc/83/75/47/501837547.db2.gz NRNJSPIJPSHFFD-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647454 501884851 /nfs/dbraw/zinc/88/48/51/501884851.db2.gz HULRIERMGNHXIF-RCCFBDPRSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647454 501884856 /nfs/dbraw/zinc/88/48/56/501884856.db2.gz HULRIERMGNHXIF-RCCFBDPRSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647454 501884858 /nfs/dbraw/zinc/88/48/58/501884858.db2.gz HULRIERMGNHXIF-RCCFBDPRSA-N 2 1 352.567 3.059 20 0 FGADMP CCN(CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000471012941 501891306 /nfs/dbraw/zinc/89/13/06/501891306.db2.gz TWABXZBZFOKKNY-KDURUIRLSA-N 2 1 369.475 3.325 20 0 FGADMP CCN(CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000471012941 501891311 /nfs/dbraw/zinc/89/13/11/501891311.db2.gz TWABXZBZFOKKNY-KDURUIRLSA-N 2 1 369.475 3.325 20 0 FGADMP CCN(CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000471012941 501891316 /nfs/dbraw/zinc/89/13/16/501891316.db2.gz TWABXZBZFOKKNY-KDURUIRLSA-N 2 1 369.475 3.325 20 0 FGADMP CC[C@@]1(C)CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113665 501961455 /nfs/dbraw/zinc/96/14/55/501961455.db2.gz QBPRBKDWTZPADC-AVRDEDQJSA-N 2 1 357.542 3.278 20 0 FGADMP CN(C(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000478408688 501971275 /nfs/dbraw/zinc/97/12/75/501971275.db2.gz VSOKVJQERRWSIR-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285217 502015636 /nfs/dbraw/zinc/01/56/36/502015636.db2.gz JDURGPXMVDRENF-SFHVURJKSA-N 2 1 367.484 3.041 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C[C@H](C)O1 ZINC000475031656 502027214 /nfs/dbraw/zinc/02/72/14/502027214.db2.gz KFBSVGOLVLSORR-LVCYWYKZSA-N 2 1 352.563 3.139 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129612 502070703 /nfs/dbraw/zinc/07/07/03/502070703.db2.gz KHKDEOIMWJBTJH-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475129612 502070710 /nfs/dbraw/zinc/07/07/10/502070710.db2.gz KHKDEOIMWJBTJH-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475129612 502070715 /nfs/dbraw/zinc/07/07/15/502070715.db2.gz KHKDEOIMWJBTJH-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000464772186 502089389 /nfs/dbraw/zinc/08/93/89/502089389.db2.gz GIOAUGREDWMCLL-ROUUACIJSA-N 2 1 351.922 3.179 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461445091 502116703 /nfs/dbraw/zinc/11/67/03/502116703.db2.gz BTSRRIVEBAJWES-ACRUOGEOSA-N 2 1 357.542 3.134 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000464892922 502139028 /nfs/dbraw/zinc/13/90/28/502139028.db2.gz YQIZWWDXDYRJKO-VQTJNVASSA-N 2 1 363.590 3.469 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCCC[C@@H](COC)C2)CC1 ZINC000468695610 502150041 /nfs/dbraw/zinc/15/00/41/502150041.db2.gz GQJPWPKHHZWTIA-HXUWFJFHSA-N 2 1 359.558 3.467 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000468750416 502170609 /nfs/dbraw/zinc/17/06/09/502170609.db2.gz ZHPBHPODAOZTPM-CALCHBBNSA-N 2 1 361.555 3.089 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486532912 502183682 /nfs/dbraw/zinc/18/36/82/502183682.db2.gz GHRAAAUHTLSYRL-XLIONFOSSA-N 2 1 361.493 3.472 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486532912 502183685 /nfs/dbraw/zinc/18/36/85/502183685.db2.gz GHRAAAUHTLSYRL-XLIONFOSSA-N 2 1 361.493 3.472 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000461799159 502206372 /nfs/dbraw/zinc/20/63/72/502206372.db2.gz CZXAVGGQRVWCGM-VQTJNVASSA-N 2 1 366.594 3.404 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216813 502217149 /nfs/dbraw/zinc/21/71/49/502217149.db2.gz VYSAPOWRKDGDGM-AZUAARDMSA-N 2 1 366.594 3.164 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000472104222 502232544 /nfs/dbraw/zinc/23/25/44/502232544.db2.gz OVRVIYMDDNHETN-UHFFFAOYSA-N 2 1 352.567 3.158 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000475629412 502236696 /nfs/dbraw/zinc/23/66/96/502236696.db2.gz ZDWGMGQCWIEGAU-UHFFFAOYSA-N 2 1 369.465 3.058 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468939299 502237245 /nfs/dbraw/zinc/23/72/45/502237245.db2.gz LZQLVGUDRTWYEW-OAQYLSRUSA-N 2 1 364.493 3.241 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472114644 502237315 /nfs/dbraw/zinc/23/73/15/502237315.db2.gz GOSAIUIBAIPQJE-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)OCC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163679 502253697 /nfs/dbraw/zinc/25/36/97/502253697.db2.gz ULMUYWFDUCMEKR-YADHBBJMSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163679 502253703 /nfs/dbraw/zinc/25/37/03/502253703.db2.gz ULMUYWFDUCMEKR-YADHBBJMSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163679 502253711 /nfs/dbraw/zinc/25/37/11/502253711.db2.gz ULMUYWFDUCMEKR-YADHBBJMSA-N 2 1 360.542 3.151 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000483053355 502257514 /nfs/dbraw/zinc/25/75/14/502257514.db2.gz HCKLFXPZOXFVLJ-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000475732537 502269800 /nfs/dbraw/zinc/26/98/00/502269800.db2.gz YGLRGDBLKSQAER-QFIPXVFZSA-N 2 1 352.526 3.488 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000475732537 502269801 /nfs/dbraw/zinc/26/98/01/502269801.db2.gz YGLRGDBLKSQAER-QFIPXVFZSA-N 2 1 352.526 3.488 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000475732537 502269802 /nfs/dbraw/zinc/26/98/02/502269802.db2.gz YGLRGDBLKSQAER-QFIPXVFZSA-N 2 1 352.526 3.488 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000462023866 502278069 /nfs/dbraw/zinc/27/80/69/502278069.db2.gz AVZWDPPCAWYDLX-NRFANRHFSA-N 2 1 355.526 3.128 20 0 FGADMP CC[C@@H]1C[N@@H+](CC(=O)NC2CC[NH+](CC)CC2)CC[C@@H]1c1ccccc1 ZINC000472236799 502280322 /nfs/dbraw/zinc/28/03/22/502280322.db2.gz CBQSQZADOYCYNR-NQIIRXRSSA-N 2 1 357.542 3.103 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)C(C)C ZINC000479523095 502285131 /nfs/dbraw/zinc/28/51/31/502285131.db2.gz PHPLXIILCXLIPQ-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)C(C)C ZINC000479523095 502285135 /nfs/dbraw/zinc/28/51/35/502285135.db2.gz PHPLXIILCXLIPQ-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)C(C)C ZINC000479523095 502285138 /nfs/dbraw/zinc/28/51/38/502285138.db2.gz PHPLXIILCXLIPQ-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000483142482 502289435 /nfs/dbraw/zinc/28/94/35/502289435.db2.gz IXMLBSWCURPCHE-FHLIZLRMSA-N 2 1 355.448 3.210 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000483142482 502289438 /nfs/dbraw/zinc/28/94/38/502289438.db2.gz IXMLBSWCURPCHE-FHLIZLRMSA-N 2 1 355.448 3.210 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000472295467 502303785 /nfs/dbraw/zinc/30/37/85/502303785.db2.gz RGGQNPYJUGJUEY-LJQANCHMSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000472295467 502303790 /nfs/dbraw/zinc/30/37/90/502303790.db2.gz RGGQNPYJUGJUEY-LJQANCHMSA-N 2 1 361.461 3.413 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CCCC1 ZINC000465552193 502304235 /nfs/dbraw/zinc/30/42/35/502304235.db2.gz ZLOWBHVJLYNOCQ-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000469178551 502326022 /nfs/dbraw/zinc/32/60/22/502326022.db2.gz MTECDYLZOOJDGY-KURKYZTESA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000469178551 502326025 /nfs/dbraw/zinc/32/60/25/502326025.db2.gz MTECDYLZOOJDGY-KURKYZTESA-N 2 1 361.530 3.043 20 0 FGADMP NC(=O)c1csc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353929 502326613 /nfs/dbraw/zinc/32/66/13/502326613.db2.gz HEVYFDSPLMYFME-LPHOPBHVSA-N 2 1 357.523 3.019 20 0 FGADMP Fc1ccc(-c2noc([C@@H]3CCC[N@@H+](CCC4CC[NH2+]CC4)C3)n2)cc1 ZINC000479671214 502339868 /nfs/dbraw/zinc/33/98/68/502339868.db2.gz FUDYASDUJNXXCA-QGZVFWFLSA-N 2 1 358.461 3.445 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000465768594 502378643 /nfs/dbraw/zinc/37/86/43/502378643.db2.gz CQMQSEXHWLGAMI-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483467859 502400965 /nfs/dbraw/zinc/40/09/65/502400965.db2.gz LPDNBCSUMMXNJL-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483467859 502400966 /nfs/dbraw/zinc/40/09/66/502400966.db2.gz LPDNBCSUMMXNJL-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483467859 502400968 /nfs/dbraw/zinc/40/09/68/502400968.db2.gz LPDNBCSUMMXNJL-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000469425823 502412731 /nfs/dbraw/zinc/41/27/31/502412731.db2.gz GMOYMLQOCHVZGR-NRFANRHFSA-N 2 1 374.573 3.174 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465886185 502415978 /nfs/dbraw/zinc/41/59/78/502415978.db2.gz ITWONGWREMGOBD-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465886185 502415983 /nfs/dbraw/zinc/41/59/83/502415983.db2.gz ITWONGWREMGOBD-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465886185 502415987 /nfs/dbraw/zinc/41/59/87/502415987.db2.gz ITWONGWREMGOBD-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000487408315 502436416 /nfs/dbraw/zinc/43/64/16/502436416.db2.gz BUBHHSLKUHVXBH-VAMGGRTRSA-N 2 1 361.505 3.169 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000487408315 502436420 /nfs/dbraw/zinc/43/64/20/502436420.db2.gz BUBHHSLKUHVXBH-VAMGGRTRSA-N 2 1 361.505 3.169 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000483585552 502437499 /nfs/dbraw/zinc/43/74/99/502437499.db2.gz UGDCETHHANYMQL-UHFFFAOYSA-N 2 1 366.509 3.254 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000466030884 502459649 /nfs/dbraw/zinc/45/96/49/502459649.db2.gz DESPVTYPXONRSX-VURPSTOHSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000466030884 502459654 /nfs/dbraw/zinc/45/96/54/502459654.db2.gz DESPVTYPXONRSX-VURPSTOHSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000466030884 502459657 /nfs/dbraw/zinc/45/96/57/502459657.db2.gz DESPVTYPXONRSX-VURPSTOHSA-N 2 1 372.557 3.164 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000466084922 502474236 /nfs/dbraw/zinc/47/42/36/502474236.db2.gz LNACSDLPCDFPOY-VAMGGRTRSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462535418 502478628 /nfs/dbraw/zinc/47/86/28/502478628.db2.gz OTYOYQXVAYLALD-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462535418 502478631 /nfs/dbraw/zinc/47/86/31/502478631.db2.gz OTYOYQXVAYLALD-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462535418 502478633 /nfs/dbraw/zinc/47/86/33/502478633.db2.gz OTYOYQXVAYLALD-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472970074 502488088 /nfs/dbraw/zinc/48/80/88/502488088.db2.gz KLAADWGEBINFCM-MOPGFXCFSA-N 2 1 360.546 3.071 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@@H]1C ZINC000483792448 502494336 /nfs/dbraw/zinc/49/43/36/502494336.db2.gz VBPMZEIXSHJWIL-PXNSSMCTSA-N 2 1 364.578 3.298 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000480266327 502518248 /nfs/dbraw/zinc/51/82/48/502518248.db2.gz OQJAHDOEHUREOS-MDNUFGMLSA-N 2 1 373.585 3.234 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)[NH+](C)C)cc1 ZINC000476631417 502544799 /nfs/dbraw/zinc/54/47/99/502544799.db2.gz RLCPNFNSJPVJNH-PMACEKPBSA-N 2 1 360.546 3.025 20 0 FGADMP CCOc1cccc(C[NH+]2CCC(OCCC[NH3+])CC2)c1OC(F)F ZINC000469854355 502569405 /nfs/dbraw/zinc/56/94/05/502569405.db2.gz SCBWXIAYNMYVTP-UHFFFAOYSA-N 2 1 358.429 3.017 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000462785380 502571134 /nfs/dbraw/zinc/57/11/34/502571134.db2.gz PFMGAWDHKAMFIU-BHDDXSALSA-N 2 1 358.526 3.204 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCCO ZINC000484130927 502578424 /nfs/dbraw/zinc/57/84/24/502578424.db2.gz QETCJYJLRNPPEG-RXVVDRJESA-N 2 1 354.494 3.058 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccccc1OCCO ZINC000484130927 502578432 /nfs/dbraw/zinc/57/84/32/502578432.db2.gz QETCJYJLRNPPEG-RXVVDRJESA-N 2 1 354.494 3.058 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000484145464 502583035 /nfs/dbraw/zinc/58/30/35/502583035.db2.gz SAJPSGZHDDKJTB-LAUBAEHRSA-N 2 1 351.494 3.128 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000469884989 502583435 /nfs/dbraw/zinc/58/34/35/502583435.db2.gz RBXFLLXWEKXPNZ-NNWRFLSQSA-N 2 1 352.526 3.416 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1 ZINC000480497240 502584495 /nfs/dbraw/zinc/58/44/95/502584495.db2.gz MYCHERVNNKNDSE-APWZRJJASA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1 ZINC000480497240 502584501 /nfs/dbraw/zinc/58/45/01/502584501.db2.gz MYCHERVNNKNDSE-APWZRJJASA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000480497240 502584503 /nfs/dbraw/zinc/58/45/03/502584503.db2.gz MYCHERVNNKNDSE-APWZRJJASA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000480497240 502584507 /nfs/dbraw/zinc/58/45/07/502584507.db2.gz MYCHERVNNKNDSE-APWZRJJASA-N 2 1 361.555 3.437 20 0 FGADMP O[C@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000484150969 502585609 /nfs/dbraw/zinc/58/56/09/502585609.db2.gz ZDALZVYAVGMQQS-PKTZIBPZSA-N 2 1 350.506 3.234 20 0 FGADMP O[C@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000484150969 502585615 /nfs/dbraw/zinc/58/56/15/502585615.db2.gz ZDALZVYAVGMQQS-PKTZIBPZSA-N 2 1 350.506 3.234 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000469902848 502591313 /nfs/dbraw/zinc/59/13/13/502591313.db2.gz VQZVMSJGJHBKAG-OKILXGFUSA-N 2 1 353.894 3.092 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000484175870 502594059 /nfs/dbraw/zinc/59/40/59/502594059.db2.gz RREIJSWTJPCQHV-YMPZKCBVSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1CO)CC2 ZINC000484175870 502594062 /nfs/dbraw/zinc/59/40/62/502594062.db2.gz RREIJSWTJPCQHV-YMPZKCBVSA-N 2 1 350.506 3.455 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600043 502616516 /nfs/dbraw/zinc/61/65/16/502616516.db2.gz HJBAYSZDQMAIQN-AVRDEDQJSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609543 502619592 /nfs/dbraw/zinc/61/95/92/502619592.db2.gz LPDNTNBEILAVCS-IAGOWNOFSA-N 2 1 367.559 3.363 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000470004174 502627058 /nfs/dbraw/zinc/62/70/58/502627058.db2.gz WOYNPRGSTVRVMO-UHFFFAOYSA-N 2 1 369.303 3.042 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C[NH+]1CCCCC1 ZINC000484374613 502634786 /nfs/dbraw/zinc/63/47/86/502634786.db2.gz REWGAKFWLLUJOT-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000463058418 502678460 /nfs/dbraw/zinc/67/84/60/502678460.db2.gz MAAUSQNHELFOOY-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000463058418 502678464 /nfs/dbraw/zinc/67/84/64/502678464.db2.gz MAAUSQNHELFOOY-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000463058418 502678468 /nfs/dbraw/zinc/67/84/68/502678468.db2.gz MAAUSQNHELFOOY-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000463078025 502686307 /nfs/dbraw/zinc/68/63/07/502686307.db2.gz NMDIXLXKKPVLQZ-OAQYLSRUSA-N 2 1 370.512 3.273 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000477192587 502703950 /nfs/dbraw/zinc/70/39/50/502703950.db2.gz KJUGEVBFXZMGJP-PWRODBHTSA-N 2 1 372.557 3.069 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C[NH+]2CCCC2)CC1 ZINC000480915598 502704344 /nfs/dbraw/zinc/70/43/44/502704344.db2.gz ZETSUIYMZDPALX-UHFFFAOYSA-N 3 1 358.574 3.040 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC000463143348 502706153 /nfs/dbraw/zinc/70/61/53/502706153.db2.gz NXBBBGHGYWVDSW-MDNUFGMLSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC000463143348 502706155 /nfs/dbraw/zinc/70/61/55/502706155.db2.gz NXBBBGHGYWVDSW-MDNUFGMLSA-N 2 1 373.585 3.376 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225709 502713062 /nfs/dbraw/zinc/71/30/62/502713062.db2.gz WJZOGPNQIKCAGF-OALUTQOASA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000477225709 502713068 /nfs/dbraw/zinc/71/30/68/502713068.db2.gz WJZOGPNQIKCAGF-OALUTQOASA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000477225709 502713071 /nfs/dbraw/zinc/71/30/71/502713071.db2.gz WJZOGPNQIKCAGF-OALUTQOASA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000488478268 502725288 /nfs/dbraw/zinc/72/52/88/502725288.db2.gz BMYXMWSCGCJODI-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000477356558 502752235 /nfs/dbraw/zinc/75/22/35/502752235.db2.gz BQSBGLJDNSJDAX-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000470373408 502754419 /nfs/dbraw/zinc/75/44/19/502754419.db2.gz LSIIACGOCRLVBR-RTBURBONSA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000470373408 502754426 /nfs/dbraw/zinc/75/44/26/502754426.db2.gz LSIIACGOCRLVBR-RTBURBONSA-N 2 1 355.869 3.118 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000488584012 502757963 /nfs/dbraw/zinc/75/79/63/502757963.db2.gz QHDJOYVARDJJBE-GHTZIAJQSA-N 2 1 372.557 3.114 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488642282 502772655 /nfs/dbraw/zinc/77/26/55/502772655.db2.gz IEAGRMPYQHLWRY-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177982 502774189 /nfs/dbraw/zinc/77/41/89/502774189.db2.gz FJKHTVZANWBRQK-HMFYCAOWSA-N 2 1 369.553 3.276 20 0 FGADMP C[C@H](C1CC1)N(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177982 502774192 /nfs/dbraw/zinc/77/41/92/502774192.db2.gz FJKHTVZANWBRQK-HMFYCAOWSA-N 2 1 369.553 3.276 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481177705 502774458 /nfs/dbraw/zinc/77/44/58/502774458.db2.gz DYZNOWDGJUPBMK-SIKLNZKXSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000481177705 502774463 /nfs/dbraw/zinc/77/44/63/502774463.db2.gz DYZNOWDGJUPBMK-SIKLNZKXSA-N 2 1 365.521 3.111 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)C1CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474019718 502781735 /nfs/dbraw/zinc/78/17/35/502781735.db2.gz XASHFDDACFODDB-RXVVDRJESA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@H+](CC)C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474019718 502781739 /nfs/dbraw/zinc/78/17/39/502781739.db2.gz XASHFDDACFODDB-RXVVDRJESA-N 2 1 372.557 3.338 20 0 FGADMP CCN(C(=O)NCC[N@@H+](CC)C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000474019718 502781744 /nfs/dbraw/zinc/78/17/44/502781744.db2.gz XASHFDDACFODDB-RXVVDRJESA-N 2 1 372.557 3.338 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000588774125 506335107 /nfs/dbraw/zinc/33/51/07/506335107.db2.gz PVZPDXJLOHCIKE-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085892 502804692 /nfs/dbraw/zinc/80/46/92/502804692.db2.gz ZVICCYWKXFDWHB-VQIMIIECSA-N 2 1 352.469 3.427 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC(F)(F)CC1 ZINC000474085892 502804697 /nfs/dbraw/zinc/80/46/97/502804697.db2.gz ZVICCYWKXFDWHB-VQIMIIECSA-N 2 1 352.469 3.427 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+]1CCCCC1 ZINC000509133217 502829774 /nfs/dbraw/zinc/82/97/74/502829774.db2.gz XEZZDPDHSJYEMA-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cc1)C1CC1 ZINC000495684642 502858114 /nfs/dbraw/zinc/85/81/14/502858114.db2.gz PYNUMHGFNFIIAJ-OAQYLSRUSA-N 2 1 355.526 3.275 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000495728415 502861405 /nfs/dbraw/zinc/86/14/05/502861405.db2.gz NSZKAQNTJWLOPW-RTBURBONSA-N 2 1 363.571 3.035 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091563 502877780 /nfs/dbraw/zinc/87/77/80/502877780.db2.gz ZPCAXOVNNBHSCV-IFMALSPDSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489091563 502877782 /nfs/dbraw/zinc/87/77/82/502877782.db2.gz ZPCAXOVNNBHSCV-IFMALSPDSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489091563 502877785 /nfs/dbraw/zinc/87/77/85/502877785.db2.gz ZPCAXOVNNBHSCV-IFMALSPDSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@H+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)C2(CCCCC2)C1 ZINC000509380810 502887712 /nfs/dbraw/zinc/88/77/12/502887712.db2.gz VNCYSQXUGBHBIS-UHFFFAOYSA-N 2 1 370.585 3.149 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000489148806 502888118 /nfs/dbraw/zinc/88/81/18/502888118.db2.gz JVFLSISWDYPNPR-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP CCC[N@H+](Cc1cnc(C)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509390259 502890893 /nfs/dbraw/zinc/89/08/93/502890893.db2.gz VCCAQLMKMHVWRD-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CCC[N@@H+](Cc1cnc(C)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000509390259 502890896 /nfs/dbraw/zinc/89/08/96/502890896.db2.gz VCCAQLMKMHVWRD-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP C[N@@H+](CCc1ccc2c(c1)CCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501030618 502915818 /nfs/dbraw/zinc/91/58/18/502915818.db2.gz MEUKTJRUVRWKOD-UHFFFAOYSA-N 2 1 351.494 3.407 20 0 FGADMP COC(=O)[C@H](c1ccc(F)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501042989 502919642 /nfs/dbraw/zinc/91/96/42/502919642.db2.gz CYCJIOSIMMGZIH-FQEVSTJZSA-N 2 1 371.456 3.283 20 0 FGADMP COC(=O)[C@H](c1ccc(F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501042989 502919646 /nfs/dbraw/zinc/91/96/46/502919646.db2.gz CYCJIOSIMMGZIH-FQEVSTJZSA-N 2 1 371.456 3.283 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000497122827 502923010 /nfs/dbraw/zinc/92/30/10/502923010.db2.gz BPXRHKQKMZVHDV-IRLDBZIGSA-N 2 1 359.558 3.202 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000497319805 502931194 /nfs/dbraw/zinc/93/11/94/502931194.db2.gz IBZVANBDCUZPTL-TZIWHRDSSA-N 2 1 351.494 3.057 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@H+]1Cc1ccccc1 ZINC000513504709 502954227 /nfs/dbraw/zinc/95/42/27/502954227.db2.gz FACIIPMIVNGSSY-XLIONFOSSA-N 2 1 363.509 3.359 20 0 FGADMP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513523323 502958782 /nfs/dbraw/zinc/95/87/82/502958782.db2.gz ZOEXXKKFQCKJBM-IBGZPJMESA-N 2 1 361.505 3.030 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCCC2 ZINC000505727446 502974235 /nfs/dbraw/zinc/97/42/35/502974235.db2.gz ZOFXATAISUKGQR-OAQYLSRUSA-N 2 1 357.542 3.054 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H](NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520233 502978189 /nfs/dbraw/zinc/97/81/89/502978189.db2.gz CHFYNXZIYVXUTQ-QUCCMNQESA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCCO2 ZINC000489520233 502978195 /nfs/dbraw/zinc/97/81/95/502978195.db2.gz CHFYNXZIYVXUTQ-QUCCMNQESA-N 2 1 373.541 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000513611882 502979435 /nfs/dbraw/zinc/97/94/35/502979435.db2.gz QHLLXDMGFDUAJY-STZQEDGTSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000513611882 502979438 /nfs/dbraw/zinc/97/94/38/502979438.db2.gz QHLLXDMGFDUAJY-STZQEDGTSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000513611882 502979442 /nfs/dbraw/zinc/97/94/42/502979442.db2.gz QHLLXDMGFDUAJY-STZQEDGTSA-N 2 1 369.553 3.135 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000501462804 503014406 /nfs/dbraw/zinc/01/44/06/503014406.db2.gz QZGAUYVGJQXPMT-PMVMPFDFSA-N 2 1 365.521 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000501462804 503014409 /nfs/dbraw/zinc/01/44/09/503014409.db2.gz QZGAUYVGJQXPMT-PMVMPFDFSA-N 2 1 365.521 3.334 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501498999 503021387 /nfs/dbraw/zinc/02/13/87/503021387.db2.gz BSHMRJKPZWHYMX-DYXWJJEUSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515808 503026832 /nfs/dbraw/zinc/02/68/32/503026832.db2.gz CUEOOZWPQBYORS-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515808 503026836 /nfs/dbraw/zinc/02/68/36/503026836.db2.gz CUEOOZWPQBYORS-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(OCc2cccnc2)c1 ZINC000510022940 503032123 /nfs/dbraw/zinc/03/21/23/503032123.db2.gz HNCUELHKCOMEFV-UHFFFAOYSA-N 2 1 366.465 3.354 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489786366 503034629 /nfs/dbraw/zinc/03/46/29/503034629.db2.gz BGOFNMQLZNANLK-ACRUOGEOSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000501550412 503035475 /nfs/dbraw/zinc/03/54/75/503035475.db2.gz KPQHIDYMQMMJFM-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000513891912 503043206 /nfs/dbraw/zinc/04/32/06/503043206.db2.gz OIMWWKVVQYEIRD-KRWDZBQOSA-N 2 1 357.498 3.370 20 0 FGADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000513891912 503043209 /nfs/dbraw/zinc/04/32/09/503043209.db2.gz OIMWWKVVQYEIRD-KRWDZBQOSA-N 2 1 357.498 3.370 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810056 503046391 /nfs/dbraw/zinc/04/63/91/503046391.db2.gz XMOLKIOOCQIDAM-UXHICEINSA-N 2 1 358.526 3.263 20 0 FGADMP C[C@@]1(c2ccccc2)CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510097994 503048599 /nfs/dbraw/zinc/04/85/99/503048599.db2.gz HYJWIUNRLDXHIN-HSZRJFAPSA-N 2 1 369.553 3.173 20 0 FGADMP CC[C@H](C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514145637 503098765 /nfs/dbraw/zinc/09/87/65/503098765.db2.gz OSRDOZRQZZBWOD-KXBFYZLASA-N 2 1 351.922 3.181 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215015 503114899 /nfs/dbraw/zinc/11/48/99/503114899.db2.gz QIALOZVRUDWJCJ-SFHLNBCPSA-N 2 1 372.557 3.243 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)[NH+]2CCCC2)cc1 ZINC000514229269 503119698 /nfs/dbraw/zinc/11/96/98/503119698.db2.gz PFLSFTAOAUHVRG-CTNGQTDRSA-N 2 1 372.557 3.306 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596839 503151878 /nfs/dbraw/zinc/15/18/78/503151878.db2.gz DFGXCGCUAWGBCO-FGZHOGPDSA-N 2 1 371.569 3.464 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596839 503151881 /nfs/dbraw/zinc/15/18/81/503151881.db2.gz DFGXCGCUAWGBCO-FGZHOGPDSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596839 503151886 /nfs/dbraw/zinc/15/18/86/503151886.db2.gz DFGXCGCUAWGBCO-FGZHOGPDSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596839 503151891 /nfs/dbraw/zinc/15/18/91/503151891.db2.gz DFGXCGCUAWGBCO-FGZHOGPDSA-N 2 1 371.569 3.464 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000502223327 503165684 /nfs/dbraw/zinc/16/56/84/503165684.db2.gz LGGYWBGILXIOAC-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@H]2CCCC23CCOCC3)[C@H](c2ccccc2)C1 ZINC000502249693 503169253 /nfs/dbraw/zinc/16/92/53/503169253.db2.gz OEZVXGGLWNOFBE-VXKWHMMOSA-N 2 1 371.569 3.304 20 0 FGADMP CSC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761936 503186742 /nfs/dbraw/zinc/18/67/42/503186742.db2.gz PJEFMDVDVSXONX-ICSRJNTNSA-N 3 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@@H](C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761936 503186747 /nfs/dbraw/zinc/18/67/47/503186747.db2.gz PJEFMDVDVSXONX-ICSRJNTNSA-N 2 1 361.599 3.314 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000490553998 503194646 /nfs/dbraw/zinc/19/46/46/503194646.db2.gz DXKVAIYCBUTPTQ-QGZVFWFLSA-N 2 1 354.498 3.364 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000490863246 503238194 /nfs/dbraw/zinc/23/81/94/503238194.db2.gz RMQJRWALIADXNC-QZTJIDSGSA-N 2 1 372.557 3.058 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000498709395 503244177 /nfs/dbraw/zinc/24/41/77/503244177.db2.gz IVAQWWJRIWVRJL-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000498709395 503244179 /nfs/dbraw/zinc/24/41/79/503244179.db2.gz IVAQWWJRIWVRJL-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000498709395 503244181 /nfs/dbraw/zinc/24/41/81/503244181.db2.gz IVAQWWJRIWVRJL-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490971302 503254477 /nfs/dbraw/zinc/25/44/77/503254477.db2.gz WBCPGKMGLQQUGG-FPOVZHCZSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490971302 503254480 /nfs/dbraw/zinc/25/44/80/503254480.db2.gz WBCPGKMGLQQUGG-FPOVZHCZSA-N 2 1 359.558 3.179 20 0 FGADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987782 503256240 /nfs/dbraw/zinc/25/62/40/503256240.db2.gz MXZHDHGSDDAPQF-FXAWDEMLSA-N 2 1 370.566 3.268 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987782 503256244 /nfs/dbraw/zinc/25/62/44/503256244.db2.gz MXZHDHGSDDAPQF-FXAWDEMLSA-N 2 1 370.566 3.268 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2C[N@@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cn2cc[nH+]c12 ZINC000502762504 503266304 /nfs/dbraw/zinc/26/63/04/503266304.db2.gz IMZZXTSXHBZZJJ-ZIAGYGMSSA-N 2 1 368.403 3.490 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2C[N@H+](C(C)(C)C)C[C@H]2C(F)(F)F)cn2cc[nH+]c12 ZINC000502762504 503266309 /nfs/dbraw/zinc/26/63/09/503266309.db2.gz IMZZXTSXHBZZJJ-ZIAGYGMSSA-N 2 1 368.403 3.490 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058185 503267066 /nfs/dbraw/zinc/26/70/66/503267066.db2.gz OCIIJEPJPQIOSP-LJQANCHMSA-N 2 1 374.525 3.440 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058185 503267068 /nfs/dbraw/zinc/26/70/68/503267068.db2.gz OCIIJEPJPQIOSP-LJQANCHMSA-N 2 1 374.525 3.440 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837429 503273360 /nfs/dbraw/zinc/27/33/60/503273360.db2.gz LGCLPBAIIGBXBK-AZUAARDMSA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccc(F)cc3)C2)CC1 ZINC000498837429 503273361 /nfs/dbraw/zinc/27/33/61/503273361.db2.gz LGCLPBAIIGBXBK-AZUAARDMSA-N 2 1 364.505 3.009 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000507415085 503295852 /nfs/dbraw/zinc/29/58/52/503295852.db2.gz SMSPNYCBJGGRBG-QZTJIDSGSA-N 2 1 360.546 3.147 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@@H]2C)cc1 ZINC000502912249 503306575 /nfs/dbraw/zinc/30/65/75/503306575.db2.gz LVGMTMMSRZXGAC-OALUTQOASA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)cc1 ZINC000502912249 503306577 /nfs/dbraw/zinc/30/65/77/503306577.db2.gz LVGMTMMSRZXGAC-OALUTQOASA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000502912249 503306579 /nfs/dbraw/zinc/30/65/79/503306579.db2.gz LVGMTMMSRZXGAC-OALUTQOASA-N 2 1 372.557 3.297 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1cccc(F)c1 ZINC000507490104 503308070 /nfs/dbraw/zinc/30/80/70/503308070.db2.gz ZOQXHYWKPHFZII-ZDFPQIBNSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cccc(F)c1 ZINC000507490104 503308073 /nfs/dbraw/zinc/30/80/73/503308073.db2.gz ZOQXHYWKPHFZII-ZDFPQIBNSA-N 2 1 354.469 3.359 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000515294261 503308218 /nfs/dbraw/zinc/30/82/18/503308218.db2.gz JBOSSAIGYORCNU-PZJWPPBQSA-N 2 1 372.557 3.387 20 0 FGADMP OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507518567 503313206 /nfs/dbraw/zinc/31/32/06/503313206.db2.gz DKQGNIRUWYDNNR-KZKAQZJJSA-N 2 1 368.496 3.229 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCSc2ccccc2)C[C@@H]1n1ccnc1 ZINC000503064032 503339664 /nfs/dbraw/zinc/33/96/64/503339664.db2.gz PELYHAWHJJIVQM-HKUYNNGSSA-N 2 1 372.538 3.065 20 0 FGADMP C[C@H]1CCN(CC(=O)NCCCSc2ccccc2)C[C@@H]1n1ccnc1 ZINC000503064032 503339669 /nfs/dbraw/zinc/33/96/69/503339669.db2.gz PELYHAWHJJIVQM-HKUYNNGSSA-N 2 1 372.538 3.065 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cnn(CC(F)F)c1 ZINC000511564743 503344840 /nfs/dbraw/zinc/34/48/40/503344840.db2.gz GZSDCFQBNOJJRI-HZPDHXFCSA-N 2 1 362.468 3.394 20 0 FGADMP CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000511584264 503348237 /nfs/dbraw/zinc/34/82/37/503348237.db2.gz CZNODFMPHLNSJJ-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000511713676 503374628 /nfs/dbraw/zinc/37/46/28/503374628.db2.gz KBYVWWAWVLJCIW-QGZVFWFLSA-N 2 1 356.514 3.490 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000511713676 503374626 /nfs/dbraw/zinc/37/46/26/503374626.db2.gz KBYVWWAWVLJCIW-QGZVFWFLSA-N 2 1 356.514 3.490 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C[C@H](C)O1 ZINC000507896359 503389970 /nfs/dbraw/zinc/38/99/70/503389970.db2.gz DGRMMHVZWKHPMK-QKLQHJQFSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2nccn2C)c2cccc(F)c2)C[C@H](C)O1 ZINC000507896359 503389975 /nfs/dbraw/zinc/38/99/75/503389975.db2.gz DGRMMHVZWKHPMK-QKLQHJQFSA-N 2 1 374.504 3.128 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811094 503406106 /nfs/dbraw/zinc/40/61/06/503406106.db2.gz OMYCLNHDIKUOBN-YJBOKZPZSA-N 2 1 366.937 3.103 20 0 FGADMP C[C@H]1CCC[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508113163 503433803 /nfs/dbraw/zinc/43/38/03/503433803.db2.gz GFUXEILGSHKAAK-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP Cn1cncc1CC[N@H+]1C[C@H](C(=O)OC(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000516056877 503438384 /nfs/dbraw/zinc/43/83/84/503438384.db2.gz GTKIEMORTWPPHC-MOPGFXCFSA-N 2 1 355.482 3.020 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000493835883 503448873 /nfs/dbraw/zinc/44/88/73/503448873.db2.gz NSVPOYUYFZWFRS-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892021 503453839 /nfs/dbraw/zinc/45/38/39/503453839.db2.gz RQDSPVWJQSWBHV-LBEHMCEESA-N 2 1 371.447 3.188 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc(F)c(Br)c2)s1 ZINC000512097471 503456392 /nfs/dbraw/zinc/45/63/92/503456392.db2.gz DRPFKRNVVYDDPD-UHFFFAOYSA-N 2 1 372.307 3.439 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917842 503458077 /nfs/dbraw/zinc/45/80/77/503458077.db2.gz VHWITVMWAJJHDD-IVAOSVALSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000493917842 503458084 /nfs/dbraw/zinc/45/80/84/503458084.db2.gz VHWITVMWAJJHDD-IVAOSVALSA-N 2 1 358.526 3.243 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000516177631 503463554 /nfs/dbraw/zinc/46/35/54/503463554.db2.gz PZBVFUPCZPGXQU-LJQANCHMSA-N 2 1 364.578 3.206 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cc(Br)cc(C)c21 ZINC000493979090 503469888 /nfs/dbraw/zinc/46/98/88/503469888.db2.gz WTLVWJXUSIVRCP-MRXNPFEDSA-N 2 1 355.320 3.303 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000516241909 503479603 /nfs/dbraw/zinc/47/96/03/503479603.db2.gz XXYNWRGUYKAOTA-HDAAZOAOSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000516241909 503479606 /nfs/dbraw/zinc/47/96/06/503479606.db2.gz XXYNWRGUYKAOTA-HDAAZOAOSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000516241909 503479608 /nfs/dbraw/zinc/47/96/08/503479608.db2.gz XXYNWRGUYKAOTA-HDAAZOAOSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000516241909 503479609 /nfs/dbraw/zinc/47/96/09/503479609.db2.gz XXYNWRGUYKAOTA-HDAAZOAOSA-N 2 1 372.557 3.051 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092711 503486667 /nfs/dbraw/zinc/48/66/67/503486667.db2.gz RHMADVXKOJFCGV-QRVBRYPASA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092711 503486669 /nfs/dbraw/zinc/48/66/69/503486669.db2.gz RHMADVXKOJFCGV-QRVBRYPASA-N 2 1 367.484 3.191 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013190 506375927 /nfs/dbraw/zinc/37/59/27/506375927.db2.gz VUZFXZMJPBNBGN-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000608013190 506375932 /nfs/dbraw/zinc/37/59/32/506375932.db2.gz VUZFXZMJPBNBGN-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000608013190 506375936 /nfs/dbraw/zinc/37/59/36/506375936.db2.gz VUZFXZMJPBNBGN-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000608013190 506375944 /nfs/dbraw/zinc/37/59/44/506375944.db2.gz VUZFXZMJPBNBGN-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000508549730 503518275 /nfs/dbraw/zinc/51/82/75/503518275.db2.gz RGIJOITVKUYQFZ-UHFFFAOYSA-N 2 1 362.562 3.399 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294941 503521535 /nfs/dbraw/zinc/52/15/35/503521535.db2.gz FJKWMAUKLIEUBS-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494294941 503521538 /nfs/dbraw/zinc/52/15/38/503521538.db2.gz FJKWMAUKLIEUBS-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494294941 503521542 /nfs/dbraw/zinc/52/15/42/503521542.db2.gz FJKWMAUKLIEUBS-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000512350695 503526736 /nfs/dbraw/zinc/52/67/36/503526736.db2.gz TWDKOJWAIWDZAQ-LAUBAEHRSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@@H](C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1)[C@H](C)[NH3+] ZINC000516568764 503539010 /nfs/dbraw/zinc/53/90/10/503539010.db2.gz XXFCVEYFJGIFQR-KGLIPLIRSA-N 2 1 371.447 3.112 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000516612055 503549391 /nfs/dbraw/zinc/54/93/91/503549391.db2.gz RLKJJYRNIIXCTM-LGKPFJOYSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000516612055 503549395 /nfs/dbraw/zinc/54/93/95/503549395.db2.gz RLKJJYRNIIXCTM-LGKPFJOYSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@H](O)C[C@@H]1CCCCC[NH+]1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439321 503550860 /nfs/dbraw/zinc/55/08/60/503550860.db2.gz QAMQONNZYSBDCY-TUFLPTIASA-N 2 1 354.579 3.408 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(=O)n1C ZINC000494530770 503558995 /nfs/dbraw/zinc/55/89/95/503558995.db2.gz XYAAGJGSRIYARZ-BHDDXSALSA-N 2 1 365.521 3.084 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000504420579 503572515 /nfs/dbraw/zinc/57/25/15/503572515.db2.gz XIPMLRKQDRZZLW-PMACEKPBSA-N 2 1 360.546 3.192 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)C1CC1 ZINC000494630123 503578619 /nfs/dbraw/zinc/57/86/19/503578619.db2.gz FHZRFOUFBGCOGL-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000516761985 503581943 /nfs/dbraw/zinc/58/19/43/503581943.db2.gz QMQQVRJSXKDTRI-SWLSCSKDSA-N 2 1 372.296 3.164 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000516770954 503583919 /nfs/dbraw/zinc/58/39/19/503583919.db2.gz UTRHQGMGQGEYRZ-SZMVWBNQSA-N 2 1 367.493 3.279 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000516770954 503583924 /nfs/dbraw/zinc/58/39/24/503583924.db2.gz UTRHQGMGQGEYRZ-SZMVWBNQSA-N 2 1 367.493 3.279 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508882796 503587486 /nfs/dbraw/zinc/58/74/86/503587486.db2.gz RHLGQADKOUEIBW-JTJHWIPRSA-N 2 1 372.557 3.254 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000509080351 503636976 /nfs/dbraw/zinc/63/69/76/503636976.db2.gz PWJMWACTLPKOTI-GVBMMDLKSA-N 2 1 358.526 3.420 20 0 FGADMP COCc1ccccc1/C=C(/C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000509080351 503636978 /nfs/dbraw/zinc/63/69/78/503636978.db2.gz PWJMWACTLPKOTI-GVBMMDLKSA-N 2 1 358.526 3.420 20 0 FGADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)cc2I)C1 ZINC000516981017 503637210 /nfs/dbraw/zinc/63/72/10/503637210.db2.gz HDYLRXVKUCVNPT-NWDGAFQWSA-N 2 1 364.658 3.304 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666705 503668866 /nfs/dbraw/zinc/66/88/66/503668866.db2.gz RTWUOPKHAQEDGO-GHTZIAJQSA-N 2 1 371.569 3.248 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666705 503668873 /nfs/dbraw/zinc/66/88/73/503668873.db2.gz RTWUOPKHAQEDGO-GHTZIAJQSA-N 2 1 371.569 3.248 20 0 FGADMP CC[N@@H+](CCC1CC1)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000546227773 503678098 /nfs/dbraw/zinc/67/80/98/503678098.db2.gz OXSCMWUAOPWSEL-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@H](C)C1 ZINC000540147206 503688938 /nfs/dbraw/zinc/68/89/38/503688938.db2.gz QNDKPEBAKCIPDC-NJYVYQBISA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2CC(C)C)[C@H](C)C1 ZINC000540147206 503688944 /nfs/dbraw/zinc/68/89/44/503688944.db2.gz QNDKPEBAKCIPDC-NJYVYQBISA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2CC(C)C)[C@H](C)C1 ZINC000540147206 503688950 /nfs/dbraw/zinc/68/89/50/503688950.db2.gz QNDKPEBAKCIPDC-NJYVYQBISA-N 2 1 353.595 3.224 20 0 FGADMP CC[C@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742781 503707719 /nfs/dbraw/zinc/70/77/19/503707719.db2.gz ZOBNGNJRFSSLLX-LPHOPBHVSA-N 2 1 361.555 3.437 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000533051060 503714294 /nfs/dbraw/zinc/71/42/94/503714294.db2.gz VBBVKIARTUSDHT-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000533051060 503714299 /nfs/dbraw/zinc/71/42/99/503714299.db2.gz VBBVKIARTUSDHT-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000533051060 503714305 /nfs/dbraw/zinc/71/43/05/503714305.db2.gz VBBVKIARTUSDHT-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245349 503723228 /nfs/dbraw/zinc/72/32/28/503723228.db2.gz RZRZVRNAOIAHTI-KSZLIROESA-N 2 1 364.505 3.477 20 0 FGADMP C[C@@H](c1cccc(F)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245349 503723230 /nfs/dbraw/zinc/72/32/30/503723230.db2.gz RZRZVRNAOIAHTI-KSZLIROESA-N 2 1 364.505 3.477 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000533155519 503745421 /nfs/dbraw/zinc/74/54/21/503745421.db2.gz ABAASFVQUNMWHQ-UHFFFAOYSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388949 503756505 /nfs/dbraw/zinc/75/65/05/503756505.db2.gz XQBADYLEJQQQKY-OXQOHEQNSA-N 2 1 352.482 3.469 20 0 FGADMP Cc1n[nH]cc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537024728 503780029 /nfs/dbraw/zinc/78/00/29/503780029.db2.gz WLGCBMGYOFWDKV-CALCHBBNSA-N 2 1 356.514 3.017 20 0 FGADMP Cc1[nH]ncc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537024728 503780033 /nfs/dbraw/zinc/78/00/33/503780033.db2.gz WLGCBMGYOFWDKV-CALCHBBNSA-N 2 1 356.514 3.017 20 0 FGADMP Cc1[nH]ncc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537024728 503780038 /nfs/dbraw/zinc/78/00/38/503780038.db2.gz WLGCBMGYOFWDKV-CALCHBBNSA-N 2 1 356.514 3.017 20 0 FGADMP CC[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287210 503791703 /nfs/dbraw/zinc/79/17/03/503791703.db2.gz WVPKABYWGXWRTP-PZJWPPBQSA-N 2 1 373.541 3.213 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000530023198 503796899 /nfs/dbraw/zinc/79/68/99/503796899.db2.gz CRYWQYUSHJGCMN-GHTZIAJQSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023198 503796906 /nfs/dbraw/zinc/79/69/06/503796906.db2.gz CRYWQYUSHJGCMN-GHTZIAJQSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023198 503796909 /nfs/dbraw/zinc/79/69/09/503796909.db2.gz CRYWQYUSHJGCMN-GHTZIAJQSA-N 2 1 373.516 3.171 20 0 FGADMP CC(C[NH+]1CCC2(CCOCC2)[C@H]1C)C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573911 503816486 /nfs/dbraw/zinc/81/64/86/503816486.db2.gz JQTROSQVHQKOTL-WOJBJXKFSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000543659281 503843955 /nfs/dbraw/zinc/84/39/55/503843955.db2.gz ZKSRRRQYIQXATD-XMSQKQJNSA-N 2 1 365.521 3.247 20 0 FGADMP COc1cccc([C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)[NH+](C)C)c1 ZINC000546723006 503852415 /nfs/dbraw/zinc/85/24/15/503852415.db2.gz HMZIJBUYMHIODF-FQEVSTJZSA-N 2 1 361.530 3.069 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccncc2Cl)[C@@H](c2ccccc2)C1 ZINC000527636883 503868779 /nfs/dbraw/zinc/86/87/79/503868779.db2.gz FONWPSTXNBGYCF-HXUWFJFHSA-N 2 1 358.917 3.203 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)c1ccc(Cl)cc1 ZINC000533510642 503869928 /nfs/dbraw/zinc/86/99/28/503869928.db2.gz NKCZTQPJWUQSCN-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP COc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC000527652011 503877022 /nfs/dbraw/zinc/87/70/22/503877022.db2.gz AWAQSDWFFYAVSY-UHFFFAOYSA-N 2 1 373.463 3.077 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527654866 503877968 /nfs/dbraw/zinc/87/79/68/503877968.db2.gz UTMYHLIPZQNSDS-NJDAHSKKSA-N 2 1 357.542 3.280 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345398 503884050 /nfs/dbraw/zinc/88/40/50/503884050.db2.gz ZGOQDZUJNKUXDR-XLIONFOSSA-N 2 1 357.498 3.307 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247602 503893458 /nfs/dbraw/zinc/89/34/58/503893458.db2.gz BBAIVIPAFFKXBX-JOCHJYFZSA-N 3 1 373.585 3.235 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247602 503893461 /nfs/dbraw/zinc/89/34/61/503893461.db2.gz BBAIVIPAFFKXBX-JOCHJYFZSA-N 2 1 373.585 3.235 20 0 FGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000533741320 503938703 /nfs/dbraw/zinc/93/87/03/503938703.db2.gz GBGWQENVGQGVRV-IYBDPMFKSA-N 2 1 350.551 3.234 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534148 503945147 /nfs/dbraw/zinc/94/51/47/503945147.db2.gz APIIUZWEFHUHKS-PGRDOPGGSA-N 2 1 368.525 3.345 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000527812236 503956185 /nfs/dbraw/zinc/95/61/85/503956185.db2.gz VVDOVYWGOOFTCH-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000527812236 503956186 /nfs/dbraw/zinc/95/61/86/503956186.db2.gz VVDOVYWGOOFTCH-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cc(C)ccc1C ZINC000527822258 503960199 /nfs/dbraw/zinc/96/01/99/503960199.db2.gz PKVAZCUZYZXDSU-FQEVSTJZSA-N 2 1 353.514 3.086 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H]1CC12CC2 ZINC000527859864 503976250 /nfs/dbraw/zinc/97/62/50/503976250.db2.gz RMOXCCYWRYQMQR-UWJYYQICSA-N 2 1 358.526 3.454 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000537646873 503990762 /nfs/dbraw/zinc/99/07/62/503990762.db2.gz BKHMMBJNRXJYQR-INIZCTEOSA-N 2 1 364.921 3.159 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccc(Cl)cc3n2C)C1 ZINC000537646873 503990767 /nfs/dbraw/zinc/99/07/67/503990767.db2.gz BKHMMBJNRXJYQR-INIZCTEOSA-N 2 1 364.921 3.159 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3ccccc3nc2OC)C1 ZINC000537649140 503992406 /nfs/dbraw/zinc/99/24/06/503992406.db2.gz GKZRKZRYDHVNDV-LJQANCHMSA-N 2 1 357.498 3.176 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2ccccc2Cl)c1 ZINC000518519423 504007977 /nfs/dbraw/zinc/00/79/77/504007977.db2.gz TZGNIHMQMQEJKN-GOSISDBHSA-N 2 1 362.901 3.321 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000527998824 504032836 /nfs/dbraw/zinc/03/28/36/504032836.db2.gz KAFSPRWXLHREEP-MPJJRAAHSA-N 2 1 361.489 3.050 20 0 FGADMP O=C1Nc2ccccc2C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000527998824 504032841 /nfs/dbraw/zinc/03/28/41/504032841.db2.gz KAFSPRWXLHREEP-MPJJRAAHSA-N 2 1 361.489 3.050 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528016297 504041392 /nfs/dbraw/zinc/04/13/92/504041392.db2.gz RDSLGBSBLQKTTP-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1(C)C ZINC000547320684 504061006 /nfs/dbraw/zinc/06/10/06/504061006.db2.gz CCWFFDQYFSQLFF-BHIYHBOVSA-N 2 1 365.587 3.218 20 0 FGADMP Cc1cc([C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)c2cccnc2)ccc1F ZINC000544358145 504102715 /nfs/dbraw/zinc/10/27/15/504102715.db2.gz LTDKWFJRRALDSU-JOCHJYFZSA-N 2 1 370.516 3.236 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000544363720 504104023 /nfs/dbraw/zinc/10/40/23/504104023.db2.gz VZESNUABDQPISQ-RBBKRZOGSA-N 2 1 359.558 3.222 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000544363720 504104027 /nfs/dbraw/zinc/10/40/27/504104027.db2.gz VZESNUABDQPISQ-RBBKRZOGSA-N 2 1 359.558 3.222 20 0 FGADMP C[C@H]1C[NH+](CCOC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000538007023 504111178 /nfs/dbraw/zinc/11/11/78/504111178.db2.gz PHTBJYYKMGCBIZ-ROUUACIJSA-N 2 1 369.509 3.329 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000519017928 504119266 /nfs/dbraw/zinc/11/92/66/504119266.db2.gz XQBCITJSSOYYEO-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCC1 ZINC000541441517 504131419 /nfs/dbraw/zinc/13/14/19/504131419.db2.gz FYXJNEWPLGXJJF-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541545741 504171137 /nfs/dbraw/zinc/17/11/37/504171137.db2.gz PDAXCWHQAFXALL-JOCHJYFZSA-N 2 1 370.516 3.173 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000519286044 504184177 /nfs/dbraw/zinc/18/41/77/504184177.db2.gz SZLLGAMCPYGGGG-NRFANRHFSA-N 2 1 357.542 3.294 20 0 FGADMP CC[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000519286044 504184183 /nfs/dbraw/zinc/18/41/83/504184183.db2.gz SZLLGAMCPYGGGG-NRFANRHFSA-N 2 1 357.542 3.294 20 0 FGADMP CC[C@H]1CCCC[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000519286044 504184186 /nfs/dbraw/zinc/18/41/86/504184186.db2.gz SZLLGAMCPYGGGG-NRFANRHFSA-N 2 1 357.542 3.294 20 0 FGADMP C[C@H]1CCC[N@@H+](CCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276008 504185485 /nfs/dbraw/zinc/18/54/85/504185485.db2.gz MFCQKGFZCATSIY-ICSRJNTNSA-N 2 1 357.542 3.296 20 0 FGADMP C[C@H]1CCCN(CC[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276008 504185487 /nfs/dbraw/zinc/18/54/87/504185487.db2.gz MFCQKGFZCATSIY-ICSRJNTNSA-N 2 1 357.542 3.296 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000531104672 504191390 /nfs/dbraw/zinc/19/13/90/504191390.db2.gz WHZVUKZNISGYEM-GOSISDBHSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccc(F)cc3)o2)C1 ZINC000531104672 504191391 /nfs/dbraw/zinc/19/13/91/504191391.db2.gz WHZVUKZNISGYEM-GOSISDBHSA-N 2 1 361.461 3.413 20 0 FGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)N1CCc2sccc2C1 ZINC000547732295 504202476 /nfs/dbraw/zinc/20/24/76/504202476.db2.gz VLBLSGCJBHMSSU-INIZCTEOSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+]1CCc2sccc2C1 ZINC000547732295 504202481 /nfs/dbraw/zinc/20/24/81/504202481.db2.gz VLBLSGCJBHMSSU-INIZCTEOSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCc2sccc2C1 ZINC000547732295 504202490 /nfs/dbraw/zinc/20/24/90/504202490.db2.gz VLBLSGCJBHMSSU-INIZCTEOSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCc2sccc2C1 ZINC000547732295 504202497 /nfs/dbraw/zinc/20/24/97/504202497.db2.gz VLBLSGCJBHMSSU-INIZCTEOSA-N 2 1 363.571 3.266 20 0 FGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCc2sccc2C1 ZINC000547732295 504202501 /nfs/dbraw/zinc/20/25/01/504202501.db2.gz VLBLSGCJBHMSSU-INIZCTEOSA-N 2 1 363.571 3.266 20 0 FGADMP Cc1ccc([C@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787245 504225403 /nfs/dbraw/zinc/22/54/03/504225403.db2.gz RGBZATISTNPKFX-VXKWHMMOSA-N 2 1 365.521 3.203 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000544706245 504228321 /nfs/dbraw/zinc/22/83/21/504228321.db2.gz NRTQIKSVFMZDKB-AEFFLSMTSA-N 2 1 368.477 3.424 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000544706245 504228325 /nfs/dbraw/zinc/22/83/25/504228325.db2.gz NRTQIKSVFMZDKB-AEFFLSMTSA-N 2 1 368.477 3.424 20 0 FGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)oc21 ZINC000538393626 504233501 /nfs/dbraw/zinc/23/35/01/504233501.db2.gz BVIQUDCXXNGEHL-RDJZCZTQSA-N 2 1 373.497 3.070 20 0 FGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)oc21 ZINC000538393626 504233503 /nfs/dbraw/zinc/23/35/03/504233503.db2.gz BVIQUDCXXNGEHL-RDJZCZTQSA-N 2 1 373.497 3.070 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC000528461025 504233578 /nfs/dbraw/zinc/23/35/78/504233578.db2.gz ZOHZPMPQHBNOSX-GOEBONIOSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC000528461025 504233581 /nfs/dbraw/zinc/23/35/81/504233581.db2.gz ZOHZPMPQHBNOSX-GOEBONIOSA-N 2 1 359.436 3.327 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cccn3C)cc2)C[C@H]1C ZINC000538454898 504250866 /nfs/dbraw/zinc/25/08/66/504250866.db2.gz UVGIUEKKBYTFHL-KDURUIRLSA-N 2 1 355.526 3.324 20 0 FGADMP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000531288734 504252764 /nfs/dbraw/zinc/25/27/64/504252764.db2.gz KCZLEWICUITCEX-IAGOWNOFSA-N 2 1 352.482 3.097 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000538502131 504265499 /nfs/dbraw/zinc/26/54/99/504265499.db2.gz XXCDEQDPQDKBCO-SFHVURJKSA-N 2 1 366.937 3.070 20 0 FGADMP CCN(C(=O)c1ccn2c(C)cnc2c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519601311 504269178 /nfs/dbraw/zinc/26/91/78/504269178.db2.gz ADDLLPMMRDONBJ-HXUWFJFHSA-N 2 1 362.477 3.379 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@]12CCCO2 ZINC000544832734 504274055 /nfs/dbraw/zinc/27/40/55/504274055.db2.gz MYIFUDPPRPNXQL-NDYOWHOSSA-N 2 1 358.526 3.213 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@]12CCCO2 ZINC000544832734 504274059 /nfs/dbraw/zinc/27/40/59/504274059.db2.gz MYIFUDPPRPNXQL-NDYOWHOSSA-N 2 1 358.526 3.213 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000541858028 504279300 /nfs/dbraw/zinc/27/93/00/504279300.db2.gz YDILUSFRWMXNSW-UHFFFAOYSA-N 2 1 354.498 3.065 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000534956057 504293088 /nfs/dbraw/zinc/29/30/88/504293088.db2.gz YKQFFUUCXOCXRJ-UHFFFAOYSA-N 2 1 352.482 3.138 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000534956057 504293093 /nfs/dbraw/zinc/29/30/93/504293093.db2.gz YKQFFUUCXOCXRJ-UHFFFAOYSA-N 2 1 352.482 3.138 20 0 FGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](CCOC[C@@H]2CCCO2)CC3)cc1 ZINC000534964766 504296610 /nfs/dbraw/zinc/29/66/10/504296610.db2.gz AHZUDVOWLYDNER-NRFANRHFSA-N 2 1 358.526 3.170 20 0 FGADMP C[C@@H](CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)n1cccc1 ZINC000531427773 504302016 /nfs/dbraw/zinc/30/20/16/504302016.db2.gz OCXFWURUEKREIZ-IBGZPJMESA-N 2 1 374.573 3.094 20 0 FGADMP OC[C@H]1CCC2(CCOCC2)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000528636887 504304368 /nfs/dbraw/zinc/30/43/68/504304368.db2.gz FGMHMUMRPKZOTC-JOCHJYFZSA-N 2 1 372.553 3.426 20 0 FGADMP CC(C)(C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000519707209 504311307 /nfs/dbraw/zinc/31/13/07/504311307.db2.gz IJBPGNNZFNEASS-NRFANRHFSA-N 2 1 365.521 3.100 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083714 504323499 /nfs/dbraw/zinc/32/34/99/504323499.db2.gz ZZEBTPWYRFQFEJ-JBACZVJFSA-N 2 1 357.542 3.306 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720178 504342785 /nfs/dbraw/zinc/34/27/85/504342785.db2.gz KYBHCWKCIKXFIW-YJBOKZPZSA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720178 504342788 /nfs/dbraw/zinc/34/27/88/504342788.db2.gz KYBHCWKCIKXFIW-YJBOKZPZSA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720178 504342791 /nfs/dbraw/zinc/34/27/91/504342791.db2.gz KYBHCWKCIKXFIW-YJBOKZPZSA-N 2 1 358.486 3.262 20 0 FGADMP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155881 504351203 /nfs/dbraw/zinc/35/12/03/504351203.db2.gz ZFEXWIOSMMQCCX-AEFFLSMTSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@@H]1CC(F)(F)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528771715 504374050 /nfs/dbraw/zinc/37/40/50/504374050.db2.gz ZGYOAVIXSUFYJP-MRXNPFEDSA-N 2 1 365.468 3.018 20 0 FGADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000528771715 504374058 /nfs/dbraw/zinc/37/40/58/504374058.db2.gz ZGYOAVIXSUFYJP-MRXNPFEDSA-N 2 1 365.468 3.018 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000528801641 504389306 /nfs/dbraw/zinc/38/93/06/504389306.db2.gz JJBJROWMSYCVJU-LJQANCHMSA-N 2 1 372.900 3.434 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000528801641 504389310 /nfs/dbraw/zinc/38/93/10/504389310.db2.gz JJBJROWMSYCVJU-LJQANCHMSA-N 2 1 372.900 3.434 20 0 FGADMP COc1ccc(C)cc1C1(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000531695337 504394714 /nfs/dbraw/zinc/39/47/14/504394714.db2.gz VKBAABLKMLLAGT-WSTZPKSXSA-N 2 1 360.542 3.370 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000520044458 504403262 /nfs/dbraw/zinc/40/32/62/504403262.db2.gz SMWHRQJTHVIRMK-AWEZNQCLSA-N 2 1 353.457 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539048129 504455805 /nfs/dbraw/zinc/45/58/05/504455805.db2.gz ZTLNSCXIYRLOFZ-OYYCAODRSA-N 2 1 353.913 3.402 20 0 FGADMP C[C@H]1CC[N@@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000542351979 504459745 /nfs/dbraw/zinc/45/97/45/504459745.db2.gz QQCWPJDRESHZEX-IBGZPJMESA-N 2 1 365.521 3.390 20 0 FGADMP C[C@H]1CC[NH+](CCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000542351979 504459751 /nfs/dbraw/zinc/45/97/51/504459751.db2.gz QQCWPJDRESHZEX-IBGZPJMESA-N 2 1 365.521 3.390 20 0 FGADMP C[C@H]1CC[NH+](CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000542351979 504459757 /nfs/dbraw/zinc/45/97/57/504459757.db2.gz QQCWPJDRESHZEX-IBGZPJMESA-N 2 1 365.521 3.390 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483286 504460942 /nfs/dbraw/zinc/46/09/42/504460942.db2.gz WAGWAPPDUDMGKI-KNQAVFIVSA-N 2 1 365.521 3.193 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483525 504462351 /nfs/dbraw/zinc/46/23/51/504462351.db2.gz CDDVQYRHYLNWGH-TZIWHRDSSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483525 504462354 /nfs/dbraw/zinc/46/23/54/504462354.db2.gz CDDVQYRHYLNWGH-TZIWHRDSSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483525 504462358 /nfs/dbraw/zinc/46/23/58/504462358.db2.gz CDDVQYRHYLNWGH-TZIWHRDSSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075802 504465637 /nfs/dbraw/zinc/46/56/37/504465637.db2.gz LMTUHSTWIQORQR-IXDOHACOSA-N 2 1 359.514 3.111 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000535585603 504478710 /nfs/dbraw/zinc/47/87/10/504478710.db2.gz XZRDQYHOSYCJDA-IBGZPJMESA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCC1 ZINC000535585603 504478711 /nfs/dbraw/zinc/47/87/11/504478711.db2.gz XZRDQYHOSYCJDA-IBGZPJMESA-N 2 1 363.933 3.468 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000531946282 504482662 /nfs/dbraw/zinc/48/26/62/504482662.db2.gz GVNINHUFCHIIOQ-CZAAIQMYSA-N 2 1 350.510 3.285 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)C2 ZINC000531946282 504482665 /nfs/dbraw/zinc/48/26/65/504482665.db2.gz GVNINHUFCHIIOQ-CZAAIQMYSA-N 2 1 350.510 3.285 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000539147287 504488053 /nfs/dbraw/zinc/48/80/53/504488053.db2.gz QDNDMJPHCOUVMZ-WTGUMLROSA-N 2 1 352.563 3.403 20 0 FGADMP Cc1ccc(C)c(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539150268 504488381 /nfs/dbraw/zinc/48/83/81/504488381.db2.gz XFJIWXRTIVFSPR-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1ccc(C)c(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000539150268 504488386 /nfs/dbraw/zinc/48/83/86/504488386.db2.gz XFJIWXRTIVFSPR-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC[C@@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000542450221 504494323 /nfs/dbraw/zinc/49/43/23/504494323.db2.gz CPHYBSYDXJPFTD-HXUWFJFHSA-N 2 1 372.557 3.087 20 0 FGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000539215587 504499751 /nfs/dbraw/zinc/49/97/51/504499751.db2.gz LFOWYGSCVKFLKD-UTKZUKDTSA-N 2 1 358.913 3.498 20 0 FGADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000539215587 504499753 /nfs/dbraw/zinc/49/97/53/504499753.db2.gz LFOWYGSCVKFLKD-UTKZUKDTSA-N 2 1 358.913 3.498 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000542466136 504501676 /nfs/dbraw/zinc/50/16/76/504501676.db2.gz HLBOTBMITZYXHS-UHFFFAOYSA-N 2 1 361.493 3.284 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529459 504528374 /nfs/dbraw/zinc/52/83/74/504528374.db2.gz FFJMZWPAQYQCNE-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529459 504528379 /nfs/dbraw/zinc/52/83/79/504528379.db2.gz FFJMZWPAQYQCNE-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000520577076 504532912 /nfs/dbraw/zinc/53/29/12/504532912.db2.gz KQONHJXHTGKMKZ-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)C1CCOCC1 ZINC000532192730 504568632 /nfs/dbraw/zinc/56/86/32/504568632.db2.gz GRDRFYCWPPRLMZ-JOCHJYFZSA-N 2 1 359.558 3.119 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243501 504583926 /nfs/dbraw/zinc/58/39/26/504583926.db2.gz LOQUXOVWVPOJMX-YPAWHYETSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243501 504583929 /nfs/dbraw/zinc/58/39/29/504583929.db2.gz LOQUXOVWVPOJMX-YPAWHYETSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243501 504583934 /nfs/dbraw/zinc/58/39/34/504583934.db2.gz LOQUXOVWVPOJMX-YPAWHYETSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC[C@H]4CCCO4)CC[C@H]32)cc1 ZINC000532243501 504583939 /nfs/dbraw/zinc/58/39/39/504583939.db2.gz LOQUXOVWVPOJMX-YPAWHYETSA-N 2 1 358.526 3.169 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000520887486 504603437 /nfs/dbraw/zinc/60/34/37/504603437.db2.gz WPUQHAIPWSHRFO-WOJBJXKFSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000520887486 504603442 /nfs/dbraw/zinc/60/34/42/504603442.db2.gz WPUQHAIPWSHRFO-WOJBJXKFSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000520887486 504603449 /nfs/dbraw/zinc/60/34/49/504603449.db2.gz WPUQHAIPWSHRFO-WOJBJXKFSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000542823086 504625725 /nfs/dbraw/zinc/62/57/25/504625725.db2.gz IWPKNMSSLVHNRC-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823086 504625727 /nfs/dbraw/zinc/62/57/27/504625727.db2.gz IWPKNMSSLVHNRC-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823086 504625732 /nfs/dbraw/zinc/62/57/32/504625732.db2.gz IWPKNMSSLVHNRC-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1sccc1Br ZINC000532482122 504665304 /nfs/dbraw/zinc/66/53/04/504665304.db2.gz OWVUSIDCXUJBAW-CYBMUJFWSA-N 2 1 374.392 3.435 20 0 FGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1C ZINC000546035174 504682631 /nfs/dbraw/zinc/68/26/31/504682631.db2.gz SZZMCNLRUHJTNF-HXUWFJFHSA-N 2 1 354.542 3.385 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CCC3(CCCC3)O2)CC1)Cc1ccccc1 ZINC000549139223 504700359 /nfs/dbraw/zinc/70/03/59/504700359.db2.gz TTWQYVFAEBPTIL-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP O=C(C[NH+]1C2CCC1CC2)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536379126 504716902 /nfs/dbraw/zinc/71/69/02/504716902.db2.gz RUSNCMDBQAUKDM-LADRWXRNSA-N 2 1 361.917 3.220 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3OCC3CC3)C2)CC1 ZINC000539863159 504720656 /nfs/dbraw/zinc/72/06/56/504720656.db2.gz IWUCBFSEIOKFKU-OAQYLSRUSA-N 2 1 357.542 3.076 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1Cl ZINC000521422553 504732664 /nfs/dbraw/zinc/73/26/64/504732664.db2.gz OZZTYKLUQJGRSG-RHSMWYFYSA-N 2 1 364.946 3.436 20 0 FGADMP Fc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000529582664 504736187 /nfs/dbraw/zinc/73/61/87/504736187.db2.gz BRDLGAQREMRCTR-LJQANCHMSA-N 2 1 369.484 3.239 20 0 FGADMP Fc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000529582664 504736192 /nfs/dbraw/zinc/73/61/92/504736192.db2.gz BRDLGAQREMRCTR-LJQANCHMSA-N 2 1 369.484 3.239 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000556076508 504791598 /nfs/dbraw/zinc/79/15/98/504791598.db2.gz OJKPTUJSGQTLDG-FPOVZHCZSA-N 2 1 359.558 3.301 20 0 FGADMP Brc1cnccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565126331 504802168 /nfs/dbraw/zinc/80/21/68/504802168.db2.gz ODOTYMMKMCOAPZ-IYBDPMFKSA-N 2 1 358.283 3.412 20 0 FGADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565126331 504802171 /nfs/dbraw/zinc/80/21/71/504802171.db2.gz ODOTYMMKMCOAPZ-IYBDPMFKSA-N 2 1 358.283 3.412 20 0 FGADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000565126331 504802175 /nfs/dbraw/zinc/80/21/75/504802175.db2.gz ODOTYMMKMCOAPZ-IYBDPMFKSA-N 2 1 358.283 3.412 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000553020924 504806457 /nfs/dbraw/zinc/80/64/57/504806457.db2.gz CBLKOYIKGSYXLH-IBGZPJMESA-N 2 1 373.541 3.070 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000565156715 504810264 /nfs/dbraw/zinc/81/02/64/504810264.db2.gz JTNODQZTKKXBRT-SFHVURJKSA-N 2 1 359.514 3.272 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000565156715 504810270 /nfs/dbraw/zinc/81/02/70/504810270.db2.gz JTNODQZTKKXBRT-SFHVURJKSA-N 2 1 359.514 3.272 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000565164864 504813590 /nfs/dbraw/zinc/81/35/90/504813590.db2.gz PZCXWKSBZXYZRH-OALUTQOASA-N 2 1 363.933 3.420 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276613 504817128 /nfs/dbraw/zinc/81/71/28/504817128.db2.gz SZQPUWDABLUTJL-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000559276613 504817133 /nfs/dbraw/zinc/81/71/33/504817133.db2.gz SZQPUWDABLUTJL-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000559276613 504817137 /nfs/dbraw/zinc/81/71/37/504817137.db2.gz SZQPUWDABLUTJL-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H](CC(C)C)C3)CC2)CC1 ZINC000565185396 504820950 /nfs/dbraw/zinc/82/09/50/504820950.db2.gz JNBWKBVJGSWNMZ-LJQANCHMSA-N 2 1 363.590 3.467 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)[C@H]3C(C)C)CC2)CC1 ZINC000565202765 504824926 /nfs/dbraw/zinc/82/49/26/504824926.db2.gz BJEWTZFTHFPVSE-HXUWFJFHSA-N 2 1 361.574 3.220 20 0 FGADMP COc1cc(OC)cc(C2(F)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000549484180 504834425 /nfs/dbraw/zinc/83/44/25/504834425.db2.gz YPOYAOUVORRBIM-KRWDZBQOSA-N 2 1 350.478 3.449 20 0 FGADMP COc1cc(OC)cc(C2(F)CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000549484180 504834428 /nfs/dbraw/zinc/83/44/28/504834428.db2.gz YPOYAOUVORRBIM-KRWDZBQOSA-N 2 1 350.478 3.449 20 0 FGADMP C[C@@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000553172693 504844180 /nfs/dbraw/zinc/84/41/80/504844180.db2.gz YYEVDEBPDCDMAC-SRYPRDQNSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172693 504844181 /nfs/dbraw/zinc/84/41/81/504844181.db2.gz YYEVDEBPDCDMAC-SRYPRDQNSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172693 504844183 /nfs/dbraw/zinc/84/41/83/504844183.db2.gz YYEVDEBPDCDMAC-SRYPRDQNSA-N 2 1 369.553 3.372 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000565425721 504883886 /nfs/dbraw/zinc/88/38/86/504883886.db2.gz GVBNJOWLGPGHBY-ZDUSSCGKSA-N 2 1 353.894 3.045 20 0 FGADMP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)ccc2n1 ZINC000565445859 504889022 /nfs/dbraw/zinc/88/90/22/504889022.db2.gz TTWGAGCGMAOFTE-QFBILLFUSA-N 2 1 363.465 3.427 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000565487495 504902514 /nfs/dbraw/zinc/90/25/14/504902514.db2.gz USCKSALCINRTNI-UHFFFAOYSA-N 2 1 367.493 3.265 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921412 /nfs/dbraw/zinc/92/14/12/504921412.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 2 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921413 /nfs/dbraw/zinc/92/14/13/504921413.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921414 /nfs/dbraw/zinc/92/14/14/504921414.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921415 /nfs/dbraw/zinc/92/14/15/504921415.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 3 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559742852 504921416 /nfs/dbraw/zinc/92/14/16/504921416.db2.gz GQLYLJCLAMNTAR-KIZRIRGWSA-N 3 1 359.558 3.301 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000553487302 504929327 /nfs/dbraw/zinc/92/93/27/504929327.db2.gz SCLJSGXIFRFSTA-NRFANRHFSA-N 2 1 372.557 3.018 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000562767652 504938569 /nfs/dbraw/zinc/93/85/69/504938569.db2.gz LGIBUMMJVGBOPZ-QFBILLFUSA-N 2 1 364.493 3.117 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562818921 504955890 /nfs/dbraw/zinc/95/58/90/504955890.db2.gz TYRPIBSVNGOISH-SESVDKBCSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839554 504961322 /nfs/dbraw/zinc/96/13/22/504961322.db2.gz QHEMRKRHRNMEQI-XLIONFOSSA-N 2 1 373.541 3.141 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562839552 504961612 /nfs/dbraw/zinc/96/16/12/504961612.db2.gz QHEMRKRHRNMEQI-FXAWDEMLSA-N 2 1 373.541 3.141 20 0 FGADMP CN(C)[C@]1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCSC1 ZINC000556869997 505000919 /nfs/dbraw/zinc/00/09/19/505000919.db2.gz BAKSWUKHEAZIPK-CBNMVNINSA-N 3 1 361.599 3.457 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](c2ccccc2)C1 ZINC000553782446 505008032 /nfs/dbraw/zinc/00/80/32/505008032.db2.gz XFMAFNCAFWHTGC-VCOUNFBDSA-N 2 1 371.569 3.491 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000565862056 505008820 /nfs/dbraw/zinc/00/88/20/505008820.db2.gz TYIXVMVIHSCCAW-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(=O)[nH]1 ZINC000560355835 505057650 /nfs/dbraw/zinc/05/76/50/505057650.db2.gz YGHWLQSWKRAXCI-XUVXKRRUSA-N 2 1 352.482 3.023 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(=O)[nH]1 ZINC000560355835 505057652 /nfs/dbraw/zinc/05/76/52/505057652.db2.gz YGHWLQSWKRAXCI-XUVXKRRUSA-N 2 1 352.482 3.023 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000554003992 505064749 /nfs/dbraw/zinc/06/47/49/505064749.db2.gz FFPIRWMATRJGMG-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000554003992 505064753 /nfs/dbraw/zinc/06/47/53/505064753.db2.gz FFPIRWMATRJGMG-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000554003992 505064757 /nfs/dbraw/zinc/06/47/57/505064757.db2.gz FFPIRWMATRJGMG-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000566058887 505068625 /nfs/dbraw/zinc/06/86/25/505068625.db2.gz GHHUGSPBLZSFRU-SFTDATJTSA-N 2 1 351.494 3.014 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000566058887 505068630 /nfs/dbraw/zinc/06/86/30/505068630.db2.gz GHHUGSPBLZSFRU-SFTDATJTSA-N 2 1 351.494 3.014 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063611 505070175 /nfs/dbraw/zinc/07/01/75/505070175.db2.gz DUPKJRPKNOKMBW-QYZOEREBSA-N 2 1 370.493 3.291 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071281 505071985 /nfs/dbraw/zinc/07/19/85/505071985.db2.gz SUSSAJNYMPTVCQ-PMACEKPBSA-N 2 1 358.551 3.414 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071281 505071986 /nfs/dbraw/zinc/07/19/86/505071986.db2.gz SUSSAJNYMPTVCQ-PMACEKPBSA-N 2 1 358.551 3.414 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071281 505071987 /nfs/dbraw/zinc/07/19/87/505071987.db2.gz SUSSAJNYMPTVCQ-PMACEKPBSA-N 2 1 358.551 3.414 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000566084176 505075487 /nfs/dbraw/zinc/07/54/87/505075487.db2.gz UTAGCEVPQCBORG-LMDPOFIKSA-N 2 1 372.557 3.482 20 0 FGADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000560410078 505075575 /nfs/dbraw/zinc/07/55/75/505075575.db2.gz DZUOMVRLYXBIEA-LJQANCHMSA-N 2 1 374.529 3.109 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550664868 505082159 /nfs/dbraw/zinc/08/21/59/505082159.db2.gz AAQBAOJFDHQHRF-FGZHOGPDSA-N 2 1 365.521 3.356 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000550664868 505082162 /nfs/dbraw/zinc/08/21/62/505082162.db2.gz AAQBAOJFDHQHRF-FGZHOGPDSA-N 2 1 365.521 3.356 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000550700348 505085919 /nfs/dbraw/zinc/08/59/19/505085919.db2.gz GASOQRJJKYWSGV-VXKWHMMOSA-N 2 1 371.569 3.447 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000566211168 505112625 /nfs/dbraw/zinc/11/26/25/505112625.db2.gz GKWPFGLPLWRMTI-QGZVFWFLSA-N 2 1 353.441 3.280 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000566217028 505113399 /nfs/dbraw/zinc/11/33/99/505113399.db2.gz KMDBPPAQGHTKAH-FCHUYYIVSA-N 2 1 350.506 3.377 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000566217028 505113402 /nfs/dbraw/zinc/11/34/02/505113402.db2.gz KMDBPPAQGHTKAH-FCHUYYIVSA-N 2 1 350.506 3.377 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN([C@H](C)c3ccccc3F)C2=O)CC1 ZINC000550860269 505115364 /nfs/dbraw/zinc/11/53/64/505115364.db2.gz HULDJXDRHAUBLP-UZLBHIALSA-N 2 1 361.505 3.342 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000560543232 505120666 /nfs/dbraw/zinc/12/06/66/505120666.db2.gz BGQTXQHKKUAKEA-NMVRNDPTSA-N 2 1 365.880 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000560543232 505120669 /nfs/dbraw/zinc/12/06/69/505120669.db2.gz BGQTXQHKKUAKEA-NMVRNDPTSA-N 2 1 365.880 3.047 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000560566728 505128703 /nfs/dbraw/zinc/12/87/03/505128703.db2.gz NMBKSPKJDYFXNJ-UHFFFAOYSA-N 3 1 371.569 3.250 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2c(c1)CCO2 ZINC000560566728 505128704 /nfs/dbraw/zinc/12/87/04/505128704.db2.gz NMBKSPKJDYFXNJ-UHFFFAOYSA-N 3 1 371.569 3.250 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc2c(c1)CCO2 ZINC000560566728 505128706 /nfs/dbraw/zinc/12/87/06/505128706.db2.gz NMBKSPKJDYFXNJ-UHFFFAOYSA-N 3 1 371.569 3.250 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000557465438 505142000 /nfs/dbraw/zinc/14/20/00/505142000.db2.gz NHARDYIZJHRKCN-UHFFFAOYSA-N 2 1 365.521 3.139 20 0 FGADMP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000566351093 505150457 /nfs/dbraw/zinc/15/04/57/505150457.db2.gz JWHUXKMHPSKUCZ-QFIPXVFZSA-N 2 1 364.468 3.426 20 0 FGADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000566351093 505150460 /nfs/dbraw/zinc/15/04/60/505150460.db2.gz JWHUXKMHPSKUCZ-QFIPXVFZSA-N 2 1 364.468 3.426 20 0 FGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)c3csc(C[NH3+])n3)ccc21 ZINC000563619939 505194963 /nfs/dbraw/zinc/19/49/63/505194963.db2.gz HCDFVBUQDYUERQ-UHFFFAOYSA-N 2 1 371.510 3.151 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@@H]1n1cccn1 ZINC000551321146 505201285 /nfs/dbraw/zinc/20/12/85/505201285.db2.gz ZDYCXPUCJIMATB-QAJUQPOASA-N 2 1 365.481 3.447 20 0 FGADMP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000560910605 505210260 /nfs/dbraw/zinc/21/02/60/505210260.db2.gz VRZNNRZBANCUCC-FQEVSTJZSA-N 2 1 352.478 3.253 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751455 505228254 /nfs/dbraw/zinc/22/82/54/505228254.db2.gz CJJQPCGHOPHDKA-SFHVURJKSA-N 2 1 365.587 3.265 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000557837735 505243275 /nfs/dbraw/zinc/24/32/75/505243275.db2.gz WPVIWTXDCUFJAH-SIKLNZKXSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837735 505243279 /nfs/dbraw/zinc/24/32/79/505243279.db2.gz WPVIWTXDCUFJAH-SIKLNZKXSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC[NH+](C2CCC2)C1 ZINC000557837735 505243283 /nfs/dbraw/zinc/24/32/83/505243283.db2.gz WPVIWTXDCUFJAH-SIKLNZKXSA-N 2 1 369.553 3.374 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4oc(C)nc4c3)CC2)CC1 ZINC000561089567 505247616 /nfs/dbraw/zinc/24/76/16/505247616.db2.gz NRMICHMDKLNLRK-UHFFFAOYSA-N 2 1 370.497 3.271 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@@H](C)[C@H]3C)CC2)CC1 ZINC000566747231 505263007 /nfs/dbraw/zinc/26/30/07/505263007.db2.gz FBMZBKCKEDKKMP-GGPKGHCWSA-N 2 1 363.590 3.371 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)NC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856266 505282674 /nfs/dbraw/zinc/28/26/74/505282674.db2.gz NOQJUQQNNYJOPJ-QUCCMNQESA-N 2 1 357.542 3.326 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000566913860 505309815 /nfs/dbraw/zinc/30/98/15/505309815.db2.gz NFCOTCGUVLJOFQ-MBOZVWFJSA-N 2 1 361.505 3.062 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000566913860 505309817 /nfs/dbraw/zinc/30/98/17/505309817.db2.gz NFCOTCGUVLJOFQ-MBOZVWFJSA-N 2 1 361.505 3.062 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000567000417 505334790 /nfs/dbraw/zinc/33/47/90/505334790.db2.gz ZVYSCDSWTONLAS-LVCYWYKZSA-N 2 1 357.542 3.324 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@@H]2CCC[C@@H]21 ZINC000552044160 505379963 /nfs/dbraw/zinc/37/99/63/505379963.db2.gz SLDLZTPXPDEWTB-QZWWFDLISA-N 2 1 365.468 3.329 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC(F)F ZINC000552044758 505380500 /nfs/dbraw/zinc/38/05/00/505380500.db2.gz LYUNGIDWOIJOAR-ARFHVFGLSA-N 2 1 354.441 3.302 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[NH+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580736 505382837 /nfs/dbraw/zinc/38/28/37/505382837.db2.gz ZLSHIHZFGNDCEV-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)NCC[N@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580736 505382841 /nfs/dbraw/zinc/38/28/41/505382841.db2.gz ZLSHIHZFGNDCEV-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000561580736 505382846 /nfs/dbraw/zinc/38/28/46/505382846.db2.gz ZLSHIHZFGNDCEV-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Br)cs2)C1 ZINC000552102842 505401148 /nfs/dbraw/zinc/40/11/48/505401148.db2.gz XIYGWIXBPKTBGT-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000552102842 505401153 /nfs/dbraw/zinc/40/11/53/505401153.db2.gz XIYGWIXBPKTBGT-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000567242390 505405974 /nfs/dbraw/zinc/40/59/74/505405974.db2.gz SXXRFTVFTBMWLU-OTWHNJEPSA-N 2 1 358.530 3.217 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000561784850 505436827 /nfs/dbraw/zinc/43/68/27/505436827.db2.gz LKRQRCVNCJXDJP-UXHICEINSA-N 2 1 369.553 3.444 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000561784842 505437037 /nfs/dbraw/zinc/43/70/37/505437037.db2.gz LKRQRCVNCJXDJP-PMACEKPBSA-N 2 1 369.553 3.444 20 0 FGADMP COC(=O)c1ccc(-c2nc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)co2)cc1 ZINC000555598468 505469410 /nfs/dbraw/zinc/46/94/10/505469410.db2.gz VYHAQCPPOUCVTE-NRFANRHFSA-N 2 1 369.465 3.046 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093064 505516242 /nfs/dbraw/zinc/51/62/42/505516242.db2.gz UWRVKSCZDULSAH-IUODEOHRSA-N 2 1 368.403 3.271 20 0 FGADMP Cc1ccc([C@@H](OC[C@H](O)C[NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000564844779 505536860 /nfs/dbraw/zinc/53/68/60/505536860.db2.gz PFYFKGCXZXTOBQ-PKTZIBPZSA-N 2 1 368.521 3.146 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000564848659 505537611 /nfs/dbraw/zinc/53/76/11/505537611.db2.gz NKPNKSOHOLMEKV-WOJBJXKFSA-N 2 1 374.550 3.127 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000564848659 505537613 /nfs/dbraw/zinc/53/76/13/505537613.db2.gz NKPNKSOHOLMEKV-WOJBJXKFSA-N 2 1 374.550 3.127 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000564848658 505537804 /nfs/dbraw/zinc/53/78/04/505537804.db2.gz NKPNKSOHOLMEKV-VQTJNVASSA-N 2 1 374.550 3.127 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000564848658 505537807 /nfs/dbraw/zinc/53/78/07/505537807.db2.gz NKPNKSOHOLMEKV-VQTJNVASSA-N 2 1 374.550 3.127 20 0 FGADMP COc1cncc(/C=C\CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901053 505553635 /nfs/dbraw/zinc/55/36/35/505553635.db2.gz ZBZZHSVQBFCXFO-HAKIGUCZSA-N 2 1 373.541 3.315 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818319 505559531 /nfs/dbraw/zinc/55/95/31/505559531.db2.gz JZXMLSBRJNCRCS-RXVVDRJESA-N 2 1 373.541 3.069 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]21 ZINC000564987695 505565626 /nfs/dbraw/zinc/56/56/26/505565626.db2.gz GTLLROFKNNWDGV-MDRZDLKXSA-N 2 1 368.308 3.158 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]21 ZINC000564987695 505565627 /nfs/dbraw/zinc/56/56/27/505565627.db2.gz GTLLROFKNNWDGV-MDRZDLKXSA-N 2 1 368.308 3.158 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000564993311 505566161 /nfs/dbraw/zinc/56/61/61/505566161.db2.gz SHQJHTKSGAMLOL-JFYQVNSESA-N 2 1 369.553 3.407 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@@]12CCCO2 ZINC000567851681 505568241 /nfs/dbraw/zinc/56/82/41/505568241.db2.gz WUCDLWOPVDJRMS-QXUYBEEESA-N 2 1 370.537 3.500 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@@]12CCCO2 ZINC000567851681 505568242 /nfs/dbraw/zinc/56/82/42/505568242.db2.gz WUCDLWOPVDJRMS-QXUYBEEESA-N 2 1 370.537 3.500 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567890724 505570275 /nfs/dbraw/zinc/57/02/75/505570275.db2.gz AUVDIRHZMFEHKG-JJRVBVJISA-N 2 1 370.324 3.011 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000599312999 506406766 /nfs/dbraw/zinc/40/67/66/506406766.db2.gz XQMNDPDYAASGTE-HSALFYBXSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000599312999 506406772 /nfs/dbraw/zinc/40/67/72/506406772.db2.gz XQMNDPDYAASGTE-HSALFYBXSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000599312999 506406777 /nfs/dbraw/zinc/40/67/77/506406777.db2.gz XQMNDPDYAASGTE-HSALFYBXSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000599312999 506406783 /nfs/dbraw/zinc/40/67/83/506406783.db2.gz XQMNDPDYAASGTE-HSALFYBXSA-N 2 1 371.569 3.308 20 0 FGADMP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000599318324 506411383 /nfs/dbraw/zinc/41/13/83/506411383.db2.gz ATJVNEXNGVFDKF-GOSISDBHSA-N 2 1 365.521 3.201 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)c1 ZINC000599318324 506411390 /nfs/dbraw/zinc/41/13/90/506411390.db2.gz ATJVNEXNGVFDKF-GOSISDBHSA-N 2 1 365.521 3.201 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000599318324 506411395 /nfs/dbraw/zinc/41/13/95/506411395.db2.gz ATJVNEXNGVFDKF-GOSISDBHSA-N 2 1 365.521 3.201 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000599318324 506411398 /nfs/dbraw/zinc/41/13/98/506411398.db2.gz ATJVNEXNGVFDKF-GOSISDBHSA-N 2 1 365.521 3.201 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)nc1 ZINC000599659205 506560358 /nfs/dbraw/zinc/56/03/58/506560358.db2.gz FOQSWJOMHGSWJZ-UHFFFAOYSA-N 2 1 355.482 3.342 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CCCCC1 ZINC000608617255 506633603 /nfs/dbraw/zinc/63/36/03/506633603.db2.gz UYUSLABVRXJHGP-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP Clc1cccc(-n2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nn2)c1Cl ZINC000583263496 506684751 /nfs/dbraw/zinc/68/47/51/506684751.db2.gz WAOWBFMVXVBMGA-BETUJISGSA-N 2 1 366.296 3.006 20 0 FGADMP Cc1ccccc1-c1noc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000608750924 506695428 /nfs/dbraw/zinc/69/54/28/506695428.db2.gz OYCFAKNIIQWLRV-UHFFFAOYSA-N 2 1 370.497 3.122 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000604116116 506719999 /nfs/dbraw/zinc/71/99/99/506719999.db2.gz JCWUDLJKIVDPMY-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000604116116 506720006 /nfs/dbraw/zinc/72/00/06/506720006.db2.gz JCWUDLJKIVDPMY-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000604116116 506720011 /nfs/dbraw/zinc/72/00/11/506720011.db2.gz JCWUDLJKIVDPMY-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000604179041 506739553 /nfs/dbraw/zinc/73/95/53/506739553.db2.gz ANHODMGKKUNDSL-PMACEKPBSA-N 2 1 374.573 3.189 20 0 FGADMP COC(=O)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185955 506829713 /nfs/dbraw/zinc/82/97/13/506829713.db2.gz VTIXYMCERSJNJE-PGRDOPGGSA-N 2 1 366.505 3.402 20 0 FGADMP COC(=O)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000600186831 506831453 /nfs/dbraw/zinc/83/14/53/506831453.db2.gz IMPBWWYMCOSXOU-UHFFFAOYSA-N 2 1 366.505 3.199 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000600473845 506961748 /nfs/dbraw/zinc/96/17/48/506961748.db2.gz SDJHSNGGIIWMCY-NRFANRHFSA-N 2 1 372.557 3.066 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(cc(F)cc2C)[nH]1 ZINC000604863732 506966106 /nfs/dbraw/zinc/96/61/06/506966106.db2.gz DXNCDYSEEUACPI-QGZVFWFLSA-N 2 1 374.504 3.104 20 0 FGADMP CC[NH+](CC)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000597867217 507142850 /nfs/dbraw/zinc/14/28/50/507142850.db2.gz DXWYBIBBNHMGFM-GOSISDBHSA-N 2 1 351.922 3.153 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[NH+]1CCCCC1 ZINC000591203114 507152449 /nfs/dbraw/zinc/15/24/49/507152449.db2.gz DKIFOOOIYJJRBI-YADHBBJMSA-N 2 1 371.569 3.178 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCc3ccccc3C2)CC1 ZINC000600966708 507210976 /nfs/dbraw/zinc/21/09/76/507210976.db2.gz BFDCYSLTVOKMSP-GOSISDBHSA-N 2 1 357.542 3.012 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000600966708 507210977 /nfs/dbraw/zinc/21/09/77/507210977.db2.gz BFDCYSLTVOKMSP-GOSISDBHSA-N 2 1 357.542 3.012 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000600966708 507210978 /nfs/dbraw/zinc/21/09/78/507210978.db2.gz BFDCYSLTVOKMSP-GOSISDBHSA-N 2 1 357.542 3.012 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555147 507289387 /nfs/dbraw/zinc/28/93/87/507289387.db2.gz RXKOEZVGSRQKLQ-MSOLQXFVSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[N@H+](C)C1CC1 ZINC000591555147 507289392 /nfs/dbraw/zinc/28/93/92/507289392.db2.gz RXKOEZVGSRQKLQ-MSOLQXFVSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[N@@H+](C)C1CC1 ZINC000591555147 507289397 /nfs/dbraw/zinc/28/93/97/507289397.db2.gz RXKOEZVGSRQKLQ-MSOLQXFVSA-N 2 1 372.557 3.200 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290285 507324515 /nfs/dbraw/zinc/32/45/15/507324515.db2.gz KASFSTFWBPGHOX-RTWAWAEBSA-N 2 1 370.541 3.010 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594962085 507333067 /nfs/dbraw/zinc/33/30/67/507333067.db2.gz PMVGDPVEVWCMLC-KHCICDEESA-N 2 1 350.572 3.424 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1 ZINC000594962085 507333072 /nfs/dbraw/zinc/33/30/72/507333072.db2.gz PMVGDPVEVWCMLC-KHCICDEESA-N 2 1 350.572 3.424 20 0 FGADMP COC(=O)CC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000595093397 507387691 /nfs/dbraw/zinc/38/76/91/507387691.db2.gz ATKIUOKHGPTRIS-GPJFCIFZSA-N 2 1 356.510 3.220 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584519579 507391539 /nfs/dbraw/zinc/39/15/39/507391539.db2.gz FPLDCFGTPJYQHM-HKBOAZHASA-N 2 1 372.557 3.105 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000606660224 507472530 /nfs/dbraw/zinc/47/25/30/507472530.db2.gz YEPXZIVGPJFHGM-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000584853590 507541009 /nfs/dbraw/zinc/54/10/09/507541009.db2.gz IGUPUYXXLYYJNY-FUHWJXTLSA-N 2 1 373.522 3.287 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000584853590 507541017 /nfs/dbraw/zinc/54/10/17/507541017.db2.gz IGUPUYXXLYYJNY-FUHWJXTLSA-N 2 1 373.522 3.287 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C ZINC000602013353 507555573 /nfs/dbraw/zinc/55/55/73/507555573.db2.gz MGMJAVOAKYEFPP-CQSZACIVSA-N 2 1 352.438 3.157 20 0 FGADMP CCC(CC)(C[NH2+]C[C@H]1CNc2ccnn2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000606914718 507555651 /nfs/dbraw/zinc/55/56/51/507555651.db2.gz WBGFQJBSBKVMIB-ROUUACIJSA-N 2 1 355.530 3.424 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000595571742 507566973 /nfs/dbraw/zinc/56/69/73/507566973.db2.gz BWLOOTFQRRYBLT-PMACEKPBSA-N 2 1 357.542 3.292 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284047 507678094 /nfs/dbraw/zinc/67/80/94/507678094.db2.gz UIDUMCLYRLJSOK-JOCHJYFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284047 507678102 /nfs/dbraw/zinc/67/81/02/507678102.db2.gz UIDUMCLYRLJSOK-JOCHJYFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)Cc1ccccc1 ZINC000607284047 507678108 /nfs/dbraw/zinc/67/81/08/507678108.db2.gz UIDUMCLYRLJSOK-JOCHJYFZSA-N 2 1 365.521 3.289 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284613 507678917 /nfs/dbraw/zinc/67/89/17/507678917.db2.gz ILWHDROGGIVKID-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607284613 507678920 /nfs/dbraw/zinc/67/89/20/507678920.db2.gz ILWHDROGGIVKID-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607284613 507678925 /nfs/dbraw/zinc/67/89/25/507678925.db2.gz ILWHDROGGIVKID-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000614974152 507710469 /nfs/dbraw/zinc/71/04/69/507710469.db2.gz GYPFHRYKHZDHRM-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[NH+](C)CC3 ZINC000614974152 507710477 /nfs/dbraw/zinc/71/04/77/507710477.db2.gz GYPFHRYKHZDHRM-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000614974152 507710483 /nfs/dbraw/zinc/71/04/83/507710483.db2.gz GYPFHRYKHZDHRM-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000614974152 507710491 /nfs/dbraw/zinc/71/04/91/507710491.db2.gz GYPFHRYKHZDHRM-OAHLLOKOSA-N 2 1 356.514 3.006 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384384 507715675 /nfs/dbraw/zinc/71/56/75/507715675.db2.gz CVIURDQDFLAEPA-LAUBAEHRSA-N 2 1 351.494 3.314 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)on1 ZINC000602514740 507733655 /nfs/dbraw/zinc/73/36/55/507733655.db2.gz QCIQGYXWPUAPGW-HOTGVXAUSA-N 2 1 371.481 3.229 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cc(C)on2)CC1)CC1CC1 ZINC000540047563 516419320 /nfs/dbraw/zinc/41/93/20/516419320.db2.gz PZVMAIICQDURHV-UHFFFAOYSA-N 2 1 362.518 3.146 20 0 FGADMP Cc1cc(NCCCC[NH+]2CCN(Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000613555173 520558874 /nfs/dbraw/zinc/55/88/74/520558874.db2.gz VWWNHMUWGITAJW-UHFFFAOYSA-N 2 1 353.514 3.103 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669117920 568038227 /nfs/dbraw/zinc/03/82/27/568038227.db2.gz WWOYBJMHMNRKKA-PXNSSMCTSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820665246 606203334 /nfs/dbraw/zinc/20/33/34/606203334.db2.gz FEPWSLJPJNFDDG-UZLBHIALSA-N 2 1 362.481 3.009 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820665246 606203335 /nfs/dbraw/zinc/20/33/35/606203335.db2.gz FEPWSLJPJNFDDG-UZLBHIALSA-N 2 1 362.481 3.009 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261201 609152522 /nfs/dbraw/zinc/15/25/22/609152522.db2.gz DWOWLNDVQZOIKD-HUUCEWRRSA-N 2 1 360.481 3.024 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC000824261201 609152524 /nfs/dbraw/zinc/15/25/24/609152524.db2.gz DWOWLNDVQZOIKD-HUUCEWRRSA-N 2 1 360.481 3.024 20 0 FGADMP CCC(CC)[C@H](C[NH2+][C@@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000133112841 700835138 /nfs/dbraw/zinc/83/51/38/700835138.db2.gz ZHQLHVGZYNZJDF-BBRMVZONSA-N 2 1 354.926 3.408 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000157393634 705153161 /nfs/dbraw/zinc/15/31/61/705153161.db2.gz SLACLRMVAZRIET-AWEZNQCLSA-N 2 1 352.910 3.443 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)C(=O)OC(C)(C)C ZINC000161307935 705273280 /nfs/dbraw/zinc/27/32/80/705273280.db2.gz OQONPMBUWRZLNW-SFHVURJKSA-N 2 1 353.551 3.441 20 0 FGADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161924773 705286122 /nfs/dbraw/zinc/28/61/22/705286122.db2.gz ASUILRBKHAHTAH-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177221902 705613468 /nfs/dbraw/zinc/61/34/68/705613468.db2.gz PTWYDXQHYBJQPT-CALCHBBNSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000179903508 705720758 /nfs/dbraw/zinc/72/07/58/705720758.db2.gz FMNORELWEPIENM-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000179903508 705720763 /nfs/dbraw/zinc/72/07/63/705720763.db2.gz FMNORELWEPIENM-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903508 705720767 /nfs/dbraw/zinc/72/07/67/705720767.db2.gz FMNORELWEPIENM-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903508 705720772 /nfs/dbraw/zinc/72/07/72/705720772.db2.gz FMNORELWEPIENM-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541359 705849087 /nfs/dbraw/zinc/84/90/87/705849087.db2.gz VKWQSULGWNEMGD-BQFCYCMXSA-N 2 1 351.535 3.238 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000185289626 712690702 /nfs/dbraw/zinc/69/07/02/712690702.db2.gz TZTRQEDUBGROHT-RHSMWYFYSA-N 2 1 369.893 3.475 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)C1 ZINC000185289626 712690703 /nfs/dbraw/zinc/69/07/03/712690703.db2.gz TZTRQEDUBGROHT-RHSMWYFYSA-N 2 1 369.893 3.475 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085928 712732743 /nfs/dbraw/zinc/73/27/43/712732743.db2.gz KMBDVJQULYMMMX-YOEHRIQHSA-N 2 1 373.310 3.428 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085928 712732747 /nfs/dbraw/zinc/73/27/47/712732747.db2.gz KMBDVJQULYMMMX-YOEHRIQHSA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085928 712732749 /nfs/dbraw/zinc/73/27/49/712732749.db2.gz KMBDVJQULYMMMX-YOEHRIQHSA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000187085928 712732752 /nfs/dbraw/zinc/73/27/52/712732752.db2.gz KMBDVJQULYMMMX-YOEHRIQHSA-N 2 1 373.310 3.428 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC)C1 ZINC000236860804 713584756 /nfs/dbraw/zinc/58/47/56/713584756.db2.gz DDOPWWUFCMKOPR-HNNXBMFYSA-N 2 1 365.315 3.283 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC)C1 ZINC000236860804 713584760 /nfs/dbraw/zinc/58/47/60/713584760.db2.gz DDOPWWUFCMKOPR-HNNXBMFYSA-N 2 1 365.315 3.283 20 0 FGADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000294719233 713775381 /nfs/dbraw/zinc/77/53/81/713775381.db2.gz BRNPTRCDXHOOSF-UZLBHIALSA-N 2 1 364.555 3.017 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521895116 714154707 /nfs/dbraw/zinc/15/47/07/714154707.db2.gz CHKQDVGNSZWGJY-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000521895116 714154708 /nfs/dbraw/zinc/15/47/08/714154708.db2.gz CHKQDVGNSZWGJY-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000521895116 714154709 /nfs/dbraw/zinc/15/47/09/714154709.db2.gz CHKQDVGNSZWGJY-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000522411798 714187185 /nfs/dbraw/zinc/18/71/85/714187185.db2.gz IWCOJRWEWFKMQX-QGZVFWFLSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522604694 714195068 /nfs/dbraw/zinc/19/50/68/714195068.db2.gz UHWJKZPSLGRZTO-KSZLIROESA-N 2 1 354.583 3.020 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc(Cl)cc3)C2)CC1 ZINC000525172584 714325718 /nfs/dbraw/zinc/32/57/18/714325718.db2.gz DXXTYEKPSUCEHI-IBGZPJMESA-N 2 1 365.949 3.209 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003842 714620800 /nfs/dbraw/zinc/62/08/00/714620800.db2.gz GGABNXNTPDEOQH-WMLDXEAASA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003842 714620801 /nfs/dbraw/zinc/62/08/01/714620801.db2.gz GGABNXNTPDEOQH-WMLDXEAASA-N 2 1 351.922 3.179 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000617506451 714663151 /nfs/dbraw/zinc/66/31/51/714663151.db2.gz NXQSPJJOEIWIGB-INIZCTEOSA-N 2 1 365.949 3.051 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2ccc(Cl)cc2)CC1 ZINC000617506451 714663154 /nfs/dbraw/zinc/66/31/54/714663154.db2.gz NXQSPJJOEIWIGB-INIZCTEOSA-N 2 1 365.949 3.051 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000620929374 714950716 /nfs/dbraw/zinc/95/07/16/714950716.db2.gz CNIDHVTWHHOZSL-LJQANCHMSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100836 714959614 /nfs/dbraw/zinc/95/96/14/714959614.db2.gz YYLFPJPSZLSPGZ-APWZRJJASA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100836 714959615 /nfs/dbraw/zinc/95/96/15/714959615.db2.gz YYLFPJPSZLSPGZ-APWZRJJASA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1Br ZINC000621660204 715015023 /nfs/dbraw/zinc/01/50/23/715015023.db2.gz BXYGEENGLIFOLD-ZDUSSCGKSA-N 2 1 368.319 3.229 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCN1CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624096059 715471654 /nfs/dbraw/zinc/47/16/54/715471654.db2.gz SFRJGQNJUVCCFG-UHOSZYNNSA-N 2 1 351.485 3.216 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326735 715512590 /nfs/dbraw/zinc/51/25/90/715512590.db2.gz SSHLHTLAEQXLSN-GBESFXJTSA-N 2 1 351.485 3.074 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccs1 ZINC000624548437 715553729 /nfs/dbraw/zinc/55/37/29/715553729.db2.gz OSQSEEDQWVVBFR-SJORKVTESA-N 2 1 364.559 3.057 20 0 FGADMP C[N@@H+](CCOCC[NH3+])Cc1cn(C(C)(C)C)nc1-c1ccccc1Cl ZINC000629667144 716332811 /nfs/dbraw/zinc/33/28/11/716332811.db2.gz UZECLXCKUSTOJP-UHFFFAOYSA-N 2 1 364.921 3.366 20 0 FGADMP CC(C)Sc1cc(Br)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629663153 716332840 /nfs/dbraw/zinc/33/28/40/716332840.db2.gz HIEZRLSHDXYWBK-UHFFFAOYSA-N 2 1 361.349 3.357 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1c1cccs1 ZINC000635602422 717180945 /nfs/dbraw/zinc/18/09/45/717180945.db2.gz GYCQDNXTNWTTDN-SJLPKXTDSA-N 2 1 361.555 3.123 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765537 717192756 /nfs/dbraw/zinc/19/27/56/717192756.db2.gz DRUCEOWGYLMXBU-XVGQJIODSA-N 2 1 367.896 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765537 717192758 /nfs/dbraw/zinc/19/27/58/717192758.db2.gz DRUCEOWGYLMXBU-XVGQJIODSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765537 717192763 /nfs/dbraw/zinc/19/27/63/717192763.db2.gz DRUCEOWGYLMXBU-XVGQJIODSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000635765537 717192768 /nfs/dbraw/zinc/19/27/68/717192768.db2.gz DRUCEOWGYLMXBU-XVGQJIODSA-N 2 1 367.896 3.072 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638334473 717435756 /nfs/dbraw/zinc/43/57/56/717435756.db2.gz APDKTHYMBDPLMR-GFCCVEGCSA-N 2 1 355.408 3.169 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(CO)cc3)CC2)cs1 ZINC000638623774 717471019 /nfs/dbraw/zinc/47/10/19/717471019.db2.gz RYVYQOQCTIGJPF-UHFFFAOYSA-N 2 1 359.539 3.200 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000638837503 717492126 /nfs/dbraw/zinc/49/21/26/717492126.db2.gz UKCQFUHBNVUGKC-KRWDZBQOSA-N 2 1 352.906 3.379 20 0 FGADMP c1sc(-c2ccccn2)nc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682339 717589495 /nfs/dbraw/zinc/58/94/95/717589495.db2.gz SYBKYDVJKVBTGW-UHFFFAOYSA-N 2 1 351.479 3.312 20 0 FGADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682339 717589503 /nfs/dbraw/zinc/58/95/03/717589503.db2.gz SYBKYDVJKVBTGW-UHFFFAOYSA-N 2 1 351.479 3.312 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000639758800 717598778 /nfs/dbraw/zinc/59/87/78/717598778.db2.gz WIJFVBUGDNTMJH-MRXNPFEDSA-N 2 1 356.432 3.027 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644549865 718122299 /nfs/dbraw/zinc/12/22/99/718122299.db2.gz BHFHUZQXEJCQTD-NRSFXHEJSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644549865 718122302 /nfs/dbraw/zinc/12/23/02/718122302.db2.gz BHFHUZQXEJCQTD-NRSFXHEJSA-N 2 1 356.432 3.333 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645118272 718184104 /nfs/dbraw/zinc/18/41/04/718184104.db2.gz NZKIAFUPVYDDGG-IRXDYDNUSA-N 2 1 364.559 3.011 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000647330502 718350222 /nfs/dbraw/zinc/35/02/22/718350222.db2.gz KDKMPFNBXOKCSP-QGZVFWFLSA-N 2 1 360.420 3.473 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975737 718390940 /nfs/dbraw/zinc/39/09/40/718390940.db2.gz FJZLWSAHZILMGX-KBPBESRZSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975737 718390942 /nfs/dbraw/zinc/39/09/42/718390942.db2.gz FJZLWSAHZILMGX-KBPBESRZSA-N 2 1 360.889 3.200 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976293 718391187 /nfs/dbraw/zinc/39/11/87/718391187.db2.gz MOTVEDLHFCAIAU-LSDHHAIUSA-N 2 1 369.962 3.072 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976829 718391463 /nfs/dbraw/zinc/39/14/63/718391463.db2.gz URYGHSUBBTVDCM-RYQLBKOJSA-N 2 1 363.933 3.229 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977675 718391667 /nfs/dbraw/zinc/39/16/67/718391667.db2.gz FYINONDJNIGXIN-HUUCEWRRSA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977675 718391668 /nfs/dbraw/zinc/39/16/68/718391668.db2.gz FYINONDJNIGXIN-HUUCEWRRSA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977676 718391694 /nfs/dbraw/zinc/39/16/94/718391694.db2.gz FYINONDJNIGXIN-LSDHHAIUSA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977676 718391695 /nfs/dbraw/zinc/39/16/95/718391695.db2.gz FYINONDJNIGXIN-LSDHHAIUSA-N 2 1 360.527 3.225 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160447 718401952 /nfs/dbraw/zinc/40/19/52/718401952.db2.gz IFABYEXIYNZWPM-DLBZAZTESA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000648160447 718401953 /nfs/dbraw/zinc/40/19/53/718401953.db2.gz IFABYEXIYNZWPM-DLBZAZTESA-N 2 1 367.896 3.391 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162342 718402616 /nfs/dbraw/zinc/40/26/16/718402616.db2.gz ZXEQWCBNNVNJRS-NVXWUHKLSA-N 2 1 355.885 3.248 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648162342 718402622 /nfs/dbraw/zinc/40/26/22/718402622.db2.gz ZXEQWCBNNVNJRS-NVXWUHKLSA-N 2 1 355.885 3.248 20 0 FGADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586023 718438133 /nfs/dbraw/zinc/43/81/33/718438133.db2.gz SLWPHRLVAGZVCE-QRWLVFNGSA-N 2 1 351.485 3.169 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648585394 718438265 /nfs/dbraw/zinc/43/82/65/718438265.db2.gz VEJKMCVVYQPSSB-QGZVFWFLSA-N 2 1 364.921 3.329 20 0 FGADMP O=C(Nc1ccc(Cl)cn1)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649411788 718512574 /nfs/dbraw/zinc/51/25/74/718512574.db2.gz CFDOABCCLIOUNF-INIZCTEOSA-N 2 1 364.921 3.165 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707860 718717729 /nfs/dbraw/zinc/71/77/29/718717729.db2.gz OKPQTFAZLZKNJV-LXZKKBNFSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724059 718721066 /nfs/dbraw/zinc/72/10/66/718721066.db2.gz XRODLVOULKHDRA-PVAVHDDUSA-N 2 1 371.294 3.449 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[NH2+]CC[C@H]32)n1 ZINC001164410642 718876275 /nfs/dbraw/zinc/87/62/75/718876275.db2.gz FNHKGUNDXXYNEC-LSDHHAIUSA-N 2 1 359.543 3.091 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143238 718916965 /nfs/dbraw/zinc/91/69/65/718916965.db2.gz SRSMCZBIZFEJKX-WBVHZDCISA-N 2 1 350.503 3.485 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361797 718936783 /nfs/dbraw/zinc/93/67/83/718936783.db2.gz PMFPAYFZVDJQEY-KBAYOESNSA-N 2 1 365.905 3.029 20 0 FGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738034 719332417 /nfs/dbraw/zinc/33/24/17/719332417.db2.gz HJELCZGHDUXBBV-KNBMTAEXSA-N 2 1 350.478 3.135 20 0 FGADMP Cc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655799661 719341710 /nfs/dbraw/zinc/34/17/10/719341710.db2.gz LQXQUNPMCYKTME-KRWDZBQOSA-N 2 1 367.331 3.491 20 0 FGADMP Cc1ncsc1C[N@H+](CCc1noc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000655938337 719355189 /nfs/dbraw/zinc/35/51/89/719355189.db2.gz SMUGJKZBIVEEOM-OAHLLOKOSA-N 2 1 356.495 3.247 20 0 FGADMP Cc1ncsc1C[N@@H+](CCc1noc2ccccc12)C[C@@H]1CC[NH2+]C1 ZINC000655938337 719355192 /nfs/dbraw/zinc/35/51/92/719355192.db2.gz SMUGJKZBIVEEOM-OAHLLOKOSA-N 2 1 356.495 3.247 20 0 FGADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452566 719652885 /nfs/dbraw/zinc/65/28/85/719652885.db2.gz HQLWVLDUJSQRMK-HNNXBMFYSA-N 2 1 352.404 3.051 20 0 FGADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452566 719652887 /nfs/dbraw/zinc/65/28/87/719652887.db2.gz HQLWVLDUJSQRMK-HNNXBMFYSA-N 2 1 352.404 3.051 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1Cl ZINC000657594895 719680955 /nfs/dbraw/zinc/68/09/55/719680955.db2.gz KSFKJMUPDXGAKL-GOSISDBHSA-N 2 1 360.885 3.205 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657595697 719680966 /nfs/dbraw/zinc/68/09/66/719680966.db2.gz RTDQBQATZQRSBA-QGZVFWFLSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657595832 719681099 /nfs/dbraw/zinc/68/10/99/719681099.db2.gz KQCZMFZPMTXZBT-KRWDZBQOSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1cnc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657595832 719681101 /nfs/dbraw/zinc/68/11/01/719681101.db2.gz KQCZMFZPMTXZBT-KRWDZBQOSA-N 2 1 359.539 3.297 20 0 FGADMP Clc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000658069630 719751072 /nfs/dbraw/zinc/75/10/72/719751072.db2.gz PNXQKAAFPRPMLT-FUHWJXTLSA-N 2 1 363.933 3.009 20 0 FGADMP FC1(F)C[C@@H]1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978938 719967388 /nfs/dbraw/zinc/96/73/88/719967388.db2.gz IIOFKPKCVOELOP-OALUTQOASA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@@H]1OCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978938 719967390 /nfs/dbraw/zinc/96/73/90/719967390.db2.gz IIOFKPKCVOELOP-OALUTQOASA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659978938 719967392 /nfs/dbraw/zinc/96/73/92/719967392.db2.gz IIOFKPKCVOELOP-OALUTQOASA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659978938 719967394 /nfs/dbraw/zinc/96/73/94/719967394.db2.gz IIOFKPKCVOELOP-OALUTQOASA-N 2 1 350.453 3.399 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=S)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000782209568 724638655 /nfs/dbraw/zinc/63/86/55/724638655.db2.gz HEZOYGOFZXSBEY-IBGZPJMESA-N 2 1 368.635 3.179 20 0 FGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809129 720126713 /nfs/dbraw/zinc/12/67/13/720126713.db2.gz HGRKNLUSZQBWLG-RXVVDRJESA-N 2 1 359.514 3.054 20 0 FGADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251037 720405259 /nfs/dbraw/zinc/40/52/59/720405259.db2.gz WMWRUGRIOHXKAX-MRXNPFEDSA-N 2 1 353.304 3.181 20 0 FGADMP C[NH+](CC1=CCSC1)Cc1cncc(C[N@@H+](C)CC2=CCSC2)c1 ZINC000662267901 720406713 /nfs/dbraw/zinc/40/67/13/720406713.db2.gz YYMMMWYNZDIQQP-UHFFFAOYSA-N 2 1 361.580 3.292 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662281723 720409417 /nfs/dbraw/zinc/40/94/17/720409417.db2.gz LFKQGGMQKHDUDU-WBVHZDCISA-N 2 1 358.404 3.145 20 0 FGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000662285248 720409939 /nfs/dbraw/zinc/40/99/39/720409939.db2.gz IBRXUXQAGAPKJI-FRQCXROJSA-N 2 1 350.528 3.006 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290846 720410549 /nfs/dbraw/zinc/41/05/49/720410549.db2.gz LXCYCMASSIZRBZ-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322420 720415487 /nfs/dbraw/zinc/41/54/87/720415487.db2.gz LXSWLFIUDRHAOF-KRWDZBQOSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CCO1 ZINC000662322420 720415495 /nfs/dbraw/zinc/41/54/95/720415495.db2.gz LXSWLFIUDRHAOF-KRWDZBQOSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422038 720426886 /nfs/dbraw/zinc/42/68/86/720426886.db2.gz ZBELNANQUQDOLH-LRDDRELGSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422038 720426887 /nfs/dbraw/zinc/42/68/87/720426887.db2.gz ZBELNANQUQDOLH-LRDDRELGSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502778 720435764 /nfs/dbraw/zinc/43/57/64/720435764.db2.gz MPUGNFUSJJJRPX-PVUWLOKVSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502778 720435765 /nfs/dbraw/zinc/43/57/65/720435765.db2.gz MPUGNFUSJJJRPX-PVUWLOKVSA-N 2 1 370.324 3.197 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000662510037 720436860 /nfs/dbraw/zinc/43/68/60/720436860.db2.gz BFRKBTIIEDDGEK-YJLNNSPDSA-N 2 1 351.922 3.213 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000662510037 720436862 /nfs/dbraw/zinc/43/68/62/720436862.db2.gz BFRKBTIIEDDGEK-YJLNNSPDSA-N 2 1 351.922 3.213 20 0 FGADMP CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000665291396 720751247 /nfs/dbraw/zinc/75/12/47/720751247.db2.gz AVUULPXPQCSKBS-AWEZNQCLSA-N 2 1 354.376 3.291 20 0 FGADMP C[NH2+]C(C)(C)CNC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000667609895 721139170 /nfs/dbraw/zinc/13/91/70/721139170.db2.gz SLSBZUNRCUANSQ-UHFFFAOYSA-N 2 1 361.515 3.010 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583624 721469002 /nfs/dbraw/zinc/46/90/02/721469002.db2.gz LKESMJXGPIHAHE-ROUUACIJSA-N 2 1 366.937 3.164 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000670415632 721537004 /nfs/dbraw/zinc/53/70/04/721537004.db2.gz GNKJIQQDELZMEU-QGZVFWFLSA-N 2 1 363.571 3.341 20 0 FGADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2cc(-n3ccnc3)cc[nH+]2)c1 ZINC001164938204 721914194 /nfs/dbraw/zinc/91/41/94/721914194.db2.gz YOPIGFAXZWKIOE-CALCHBBNSA-N 2 1 351.479 3.182 20 0 FGADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678342847 721952932 /nfs/dbraw/zinc/95/29/32/721952932.db2.gz JGFRBJCHKLRDHM-YRGRVCCFSA-N 2 1 368.321 3.210 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cs1 ZINC000684380506 722339084 /nfs/dbraw/zinc/33/90/84/722339084.db2.gz PDDTYYPKJHWCIH-AEFFLSMTSA-N 2 1 351.560 3.465 20 0 FGADMP C[N@@H+](Cc1ccc(C(F)(F)F)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457131 722385872 /nfs/dbraw/zinc/38/58/72/722385872.db2.gz FCZPPTUMCREQQM-AWEZNQCLSA-N 2 1 361.477 3.367 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789137 722409805 /nfs/dbraw/zinc/40/98/05/722409805.db2.gz SZKMREOUBPMTTN-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000702610350 722410642 /nfs/dbraw/zinc/41/06/42/722410642.db2.gz HUUHYUDNAIENJM-QZTJIDSGSA-N 2 1 351.535 3.240 20 0 FGADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)C(F)(F)F ZINC000724117133 722420828 /nfs/dbraw/zinc/42/08/28/722420828.db2.gz WIAUXUKWNLAHGA-OAHLLOKOSA-N 2 1 366.374 3.189 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000727467001 722444764 /nfs/dbraw/zinc/44/47/64/722444764.db2.gz NWMUBXHUDZWPEN-UHFFFAOYSA-N 2 1 350.507 3.208 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760905348 723103438 /nfs/dbraw/zinc/10/34/38/723103438.db2.gz AYSVEZYYVUFZTK-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760905348 723103441 /nfs/dbraw/zinc/10/34/41/723103441.db2.gz AYSVEZYYVUFZTK-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760905348 723103443 /nfs/dbraw/zinc/10/34/43/723103443.db2.gz AYSVEZYYVUFZTK-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000761804675 723185327 /nfs/dbraw/zinc/18/53/27/723185327.db2.gz RRPMOWYVPBFTCG-INIZCTEOSA-N 2 1 356.432 3.342 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000764461190 723415241 /nfs/dbraw/zinc/41/52/41/723415241.db2.gz BOJBTQLHYNJDPC-HOCLYGCPSA-N 2 1 364.946 3.436 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764469282 723416074 /nfs/dbraw/zinc/41/60/74/723416074.db2.gz OFFNEQUQIJXHFM-QAPCUYQASA-N 2 1 369.525 3.459 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000764469282 723416076 /nfs/dbraw/zinc/41/60/76/723416076.db2.gz OFFNEQUQIJXHFM-QAPCUYQASA-N 2 1 369.525 3.459 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000796707474 723651275 /nfs/dbraw/zinc/65/12/75/723651275.db2.gz OBEIZURVAFQGOC-XWTMOSNGSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCN1C(=O)OC(C)(C)C ZINC000796952959 723660953 /nfs/dbraw/zinc/66/09/53/723660953.db2.gz JUGRTGXNQMOOBR-ILOCAZANSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000798187886 723912002 /nfs/dbraw/zinc/91/20/02/723912002.db2.gz VFDJZKMTQRRMMW-NJINODPHSA-N 2 1 351.535 3.285 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@H](O)CN1CCCC1 ZINC000775838833 724070171 /nfs/dbraw/zinc/07/01/71/724070171.db2.gz RDSMPQUHUZCCAK-IRXDYDNUSA-N 2 1 369.347 3.159 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)C[NH+]1CCCC1 ZINC000775838833 724070177 /nfs/dbraw/zinc/07/01/77/724070177.db2.gz RDSMPQUHUZCCAK-IRXDYDNUSA-N 2 1 369.347 3.159 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009056 724353188 /nfs/dbraw/zinc/35/31/88/724353188.db2.gz LNKHOPJPEHDSJH-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009056 724353192 /nfs/dbraw/zinc/35/31/92/724353192.db2.gz LNKHOPJPEHDSJH-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009056 724353197 /nfs/dbraw/zinc/35/31/97/724353197.db2.gz LNKHOPJPEHDSJH-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562991 725073034 /nfs/dbraw/zinc/07/30/34/725073034.db2.gz MWJDTRRCRGCCJO-CVEARBPZSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562991 725073037 /nfs/dbraw/zinc/07/30/37/725073037.db2.gz MWJDTRRCRGCCJO-CVEARBPZSA-N 2 1 353.551 3.342 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792532 725096017 /nfs/dbraw/zinc/09/60/17/725096017.db2.gz FVMDILQPHDOYRO-HXUWFJFHSA-N 2 1 353.551 3.441 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792532 725096020 /nfs/dbraw/zinc/09/60/20/725096020.db2.gz FVMDILQPHDOYRO-HXUWFJFHSA-N 2 1 353.551 3.441 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559608 725247530 /nfs/dbraw/zinc/24/75/30/725247530.db2.gz VLFHRPSTVVQCBX-INIZCTEOSA-N 2 1 367.559 3.335 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559608 725247531 /nfs/dbraw/zinc/24/75/31/725247531.db2.gz VLFHRPSTVVQCBX-INIZCTEOSA-N 2 1 367.559 3.335 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559608 725247533 /nfs/dbraw/zinc/24/75/33/725247533.db2.gz VLFHRPSTVVQCBX-INIZCTEOSA-N 2 1 367.559 3.335 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559608 725247534 /nfs/dbraw/zinc/24/75/34/725247534.db2.gz VLFHRPSTVVQCBX-INIZCTEOSA-N 2 1 367.559 3.335 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817890440 727287057 /nfs/dbraw/zinc/28/70/57/727287057.db2.gz TWEZJLFOUDUGOS-VHSSKADRSA-N 2 1 352.400 3.287 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818989327 727335143 /nfs/dbraw/zinc/33/51/43/727335143.db2.gz LKFICAGFWSISDI-OAHLLOKOSA-N 2 1 372.694 3.105 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000819277677 727363610 /nfs/dbraw/zinc/36/36/10/727363610.db2.gz FWOOTRUNIHTOAW-KVULBXGLSA-N 2 1 371.294 3.228 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000819444285 727375998 /nfs/dbraw/zinc/37/59/98/727375998.db2.gz HDEJXEZFXIQWJZ-KRWDZBQOSA-N 2 1 359.436 3.190 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2cccs2)no1 ZINC000871785236 735545681 /nfs/dbraw/zinc/54/56/81/735545681.db2.gz GQQSHIABOCNYDT-ODWCKFRGSA-N 2 1 361.471 3.230 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2cccs2)no1 ZINC000871785236 735545683 /nfs/dbraw/zinc/54/56/83/735545683.db2.gz GQQSHIABOCNYDT-ODWCKFRGSA-N 2 1 361.471 3.230 20 0 FGADMP C[N@H+](CCN1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000822616374 729201570 /nfs/dbraw/zinc/20/15/70/729201570.db2.gz CFRHHQRFHHEQNZ-GOSISDBHSA-N 2 1 370.368 3.320 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CC[C@@H]2CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000822616374 729201572 /nfs/dbraw/zinc/20/15/72/729201572.db2.gz CFRHHQRFHHEQNZ-GOSISDBHSA-N 2 1 370.368 3.320 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)CCCCCC[NH3+])cc1Br ZINC000831993482 729680679 /nfs/dbraw/zinc/68/06/79/729680679.db2.gz SQJBXUNIPICSGY-UHFFFAOYSA-N 2 1 356.308 3.358 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834893078 729844382 /nfs/dbraw/zinc/84/43/82/729844382.db2.gz NSNDMAIEOHKTNC-QCLGFWRNSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1nc2ccccn2c1Br)C1CC1 ZINC000835063585 729854608 /nfs/dbraw/zinc/85/46/08/729854608.db2.gz MPSZVVINPNOINA-UHFFFAOYSA-N 2 1 351.292 3.061 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398033 730614566 /nfs/dbraw/zinc/61/45/66/730614566.db2.gz RWMWMVAUXHXNBE-UXLLHSPISA-N 2 1 350.507 3.063 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CN(C3CC3)C(=O)O2)CC1)CC(C)C ZINC000844315008 730701985 /nfs/dbraw/zinc/70/19/85/730701985.db2.gz FTLHKPFLJORTPO-LJQANCHMSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358521 730707271 /nfs/dbraw/zinc/70/72/71/730707271.db2.gz XNQNKBKPUBXQTM-ZWOKBUDYSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358521 730707273 /nfs/dbraw/zinc/70/72/73/730707273.db2.gz XNQNKBKPUBXQTM-ZWOKBUDYSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358521 730707274 /nfs/dbraw/zinc/70/72/74/730707274.db2.gz XNQNKBKPUBXQTM-ZWOKBUDYSA-N 2 1 351.535 3.098 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CC(F)(c2cccc(Cl)c2)C1 ZINC000849095535 731228784 /nfs/dbraw/zinc/22/87/84/731228784.db2.gz BITSRMWYTKCOSG-PQUAAJSLSA-N 2 1 352.885 3.265 20 0 FGADMP C[C@H](NC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(Cl)cc1Cl ZINC000849112950 731230677 /nfs/dbraw/zinc/23/06/77/731230677.db2.gz GFVIXMXNALNWEA-JSGCOSHPSA-N 2 1 373.328 3.015 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508762 731366405 /nfs/dbraw/zinc/36/64/05/731366405.db2.gz OATWJNNVTOKXMM-FUHWJXTLSA-N 2 1 357.885 3.079 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@@H]3COC(C)(C)O3)C2)s1 ZINC000852023830 731534838 /nfs/dbraw/zinc/53/48/38/731534838.db2.gz YKBNKRGVZZVLFL-DLBZAZTESA-N 2 1 352.544 3.352 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@@H]3COC(C)(C)O3)C2)s1 ZINC000852023830 731534841 /nfs/dbraw/zinc/53/48/41/731534841.db2.gz YKBNKRGVZZVLFL-DLBZAZTESA-N 2 1 352.544 3.352 20 0 FGADMP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)NC(=O)OC(C)(C)C ZINC000853241932 731686536 /nfs/dbraw/zinc/68/65/36/731686536.db2.gz YVUSKFQFSIPZLU-JFIYKMOQSA-N 2 1 353.551 3.390 20 0 FGADMP COc1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Br)cn1 ZINC000856740585 732050822 /nfs/dbraw/zinc/05/08/22/732050822.db2.gz KHHCRPKGOBUNFZ-UHFFFAOYSA-N 2 1 368.319 3.161 20 0 FGADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c(Br)cn1 ZINC000856740585 732050826 /nfs/dbraw/zinc/05/08/26/732050826.db2.gz KHHCRPKGOBUNFZ-UHFFFAOYSA-N 2 1 368.319 3.161 20 0 FGADMP C[C@@H]1C[C@@H](O)C[C@H](C)[N@@H+]1CC[Si](C)(C)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000859268955 732301390 /nfs/dbraw/zinc/30/13/90/732301390.db2.gz RIRKYXBESOHXRK-CBNQQXHVSA-N 2 1 370.654 3.162 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862220051 732788343 /nfs/dbraw/zinc/78/83/43/732788343.db2.gz KTIQKAIUJWRPES-UHFFFAOYSA-N 2 1 357.340 3.127 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862220051 732788349 /nfs/dbraw/zinc/78/83/49/732788349.db2.gz KTIQKAIUJWRPES-UHFFFAOYSA-N 2 1 357.340 3.127 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865436134 733200810 /nfs/dbraw/zinc/20/08/10/733200810.db2.gz UWKPLGWFYVZQEK-KGLIPLIRSA-N 2 1 367.456 3.152 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600952 733234874 /nfs/dbraw/zinc/23/48/74/733234874.db2.gz WMKDRVYGLVGEKS-KGLIPLIRSA-N 2 1 367.456 3.154 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000866453147 733351273 /nfs/dbraw/zinc/35/12/73/733351273.db2.gz IKQXBWJNLOSETD-BRSBDYLESA-N 2 1 353.551 3.390 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000866467779 733354049 /nfs/dbraw/zinc/35/40/49/733354049.db2.gz PZYIAVMCNLAVFS-KFGODFMUSA-N 2 1 351.535 3.285 20 0 FGADMP C[N@@H+](CCCCCC[NH3+])CCC(=O)Nc1ccccc1Br ZINC000872155140 735597207 /nfs/dbraw/zinc/59/72/07/735597207.db2.gz MHLPIMQBUBQGMG-UHFFFAOYSA-N 2 1 356.308 3.229 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3ccc(Cl)c4cccnc34)CC2)CC1 ZINC000877747716 736713738 /nfs/dbraw/zinc/71/37/38/736713738.db2.gz ZEGNYUHCBCNMCW-UHFFFAOYSA-N 2 1 358.917 3.100 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107127 736772485 /nfs/dbraw/zinc/77/24/85/736772485.db2.gz LYWRBAWVUFXGHB-VAMGGRTRSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107127 736772492 /nfs/dbraw/zinc/77/24/92/736772492.db2.gz LYWRBAWVUFXGHB-VAMGGRTRSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107127 736772497 /nfs/dbraw/zinc/77/24/97/736772497.db2.gz LYWRBAWVUFXGHB-VAMGGRTRSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107127 736772500 /nfs/dbraw/zinc/77/25/00/736772500.db2.gz LYWRBAWVUFXGHB-VAMGGRTRSA-N 2 1 350.547 3.301 20 0 FGADMP Cc1sc2nc(C[NH+]3CCC4(CC[NH+](C)CC4)CC3)nc(N)c2c1C ZINC000879249941 736972690 /nfs/dbraw/zinc/97/26/90/736972690.db2.gz GVTNPQHWWQATJO-UHFFFAOYSA-N 2 1 359.543 3.198 20 0 FGADMP Cc1csc([C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000880010597 737099707 /nfs/dbraw/zinc/09/97/07/737099707.db2.gz BWLIMRAJYFAKAO-IBGZPJMESA-N 2 1 357.523 3.273 20 0 FGADMP Cc1csc([C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000880010597 737099714 /nfs/dbraw/zinc/09/97/14/737099714.db2.gz BWLIMRAJYFAKAO-IBGZPJMESA-N 2 1 357.523 3.273 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000892879718 740053992 /nfs/dbraw/zinc/05/39/92/740053992.db2.gz QLGPGSRPZGVTLZ-UHFFFAOYSA-N 2 1 372.340 3.068 20 0 FGADMP COCC[N@H+](Cc1cnc(CC(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000895692339 742440240 /nfs/dbraw/zinc/44/02/40/742440240.db2.gz PJYIJFBGBAYEDP-UHFFFAOYSA-N 2 1 365.465 3.038 20 0 FGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902801389 743776912 /nfs/dbraw/zinc/77/69/12/743776912.db2.gz ADXBOBIPVYFKSC-GIVPXCGWSA-N 2 1 350.547 3.205 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OCCC(C)C ZINC000903955520 743904662 /nfs/dbraw/zinc/90/46/62/743904662.db2.gz UHDRLLCIQMAMLR-INIZCTEOSA-N 2 1 356.457 3.455 20 0 FGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974428 743907078 /nfs/dbraw/zinc/90/70/78/743907078.db2.gz VEQVZFZUJQBFDA-PBHICJAKSA-N 2 1 356.432 3.385 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccccc2Cl)CC1 ZINC000919860964 758482213 /nfs/dbraw/zinc/48/22/13/758482213.db2.gz LXIXMBHUHPYYCW-SREVYHEPSA-N 2 1 356.857 3.139 20 0 FGADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000921696311 758772000 /nfs/dbraw/zinc/77/20/00/758772000.db2.gz MEFJTZTZBDMQQH-UHFFFAOYSA-N 2 1 359.901 3.290 20 0 FGADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385729 758909290 /nfs/dbraw/zinc/90/92/90/758909290.db2.gz CSQDXXPPOKCDOH-JEWRLFTDSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385729 758909294 /nfs/dbraw/zinc/90/92/94/758909294.db2.gz CSQDXXPPOKCDOH-JEWRLFTDSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386376 758909531 /nfs/dbraw/zinc/90/95/31/758909531.db2.gz GZXQAZRZOIODQC-TVFCKZIOSA-N 2 1 356.432 3.275 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@@H]1C(C)C ZINC000922391708 758911591 /nfs/dbraw/zinc/91/15/91/758911591.db2.gz GKSNOFGDSQRPMC-PDOICOKGSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@H]1C(C)C ZINC000922395634 758914819 /nfs/dbraw/zinc/91/48/19/758914819.db2.gz XUCSLZOVPGLCDX-GZOSKZMVSA-N 2 1 372.340 3.348 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000923484777 759129682 /nfs/dbraw/zinc/12/96/82/759129682.db2.gz MSDUDJLDZHBXSO-CYBMUJFWSA-N 2 1 354.479 3.235 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000923484777 759129716 /nfs/dbraw/zinc/12/97/16/759129716.db2.gz MSDUDJLDZHBXSO-CYBMUJFWSA-N 2 1 354.479 3.235 20 0 FGADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490863 759130548 /nfs/dbraw/zinc/13/05/48/759130548.db2.gz WWRANRGDLMSVJI-UPJWGTAASA-N 2 1 360.527 3.253 20 0 FGADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923490863 759130550 /nfs/dbraw/zinc/13/05/50/759130550.db2.gz WWRANRGDLMSVJI-UPJWGTAASA-N 2 1 360.527 3.253 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000924707377 759374205 /nfs/dbraw/zinc/37/42/05/759374205.db2.gz UGILYNMYUSJIBK-MRXNPFEDSA-N 2 1 351.535 3.098 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)[C@@H]1c1cccs1 ZINC000925133392 759452599 /nfs/dbraw/zinc/45/25/99/759452599.db2.gz CVQYZNFQMLHCAS-BPQIPLTHSA-N 2 1 350.528 3.059 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)[C@@H]1c1cccs1 ZINC000925133392 759452603 /nfs/dbraw/zinc/45/26/03/759452603.db2.gz CVQYZNFQMLHCAS-BPQIPLTHSA-N 2 1 350.528 3.059 20 0 FGADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1ccccc1F ZINC000925217328 759463648 /nfs/dbraw/zinc/46/36/48/759463648.db2.gz XYQWNHXBDNITHW-HQSKLWIPSA-N 2 1 350.478 3.215 20 0 FGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000925775577 759534024 /nfs/dbraw/zinc/53/40/24/759534024.db2.gz HNJNXZVRSSLDII-WPRPVWTQSA-N 2 1 351.260 3.332 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929747080 760448187 /nfs/dbraw/zinc/44/81/87/760448187.db2.gz ARNVTGDUQOHYQY-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP Cc1nc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)oc1-c1ccc(Cl)cc1 ZINC000931483573 760873528 /nfs/dbraw/zinc/87/35/28/760873528.db2.gz IOSKWKUVDKWLBD-UHFFFAOYSA-N 2 1 363.889 3.192 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545140 760889493 /nfs/dbraw/zinc/88/94/93/760889493.db2.gz AGTYSUCJCMRBPS-KYHPRHEASA-N 2 1 354.416 3.195 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545140 760889508 /nfs/dbraw/zinc/88/95/08/760889508.db2.gz AGTYSUCJCMRBPS-KYHPRHEASA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545140 760889524 /nfs/dbraw/zinc/88/95/24/760889524.db2.gz AGTYSUCJCMRBPS-KYHPRHEASA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@H]21 ZINC000931545140 760889536 /nfs/dbraw/zinc/88/95/36/760889536.db2.gz AGTYSUCJCMRBPS-KYHPRHEASA-N 2 1 354.416 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@H+]1C ZINC000968738117 762842123 /nfs/dbraw/zinc/84/21/23/762842123.db2.gz MXYYOHNRGTUFFY-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3cccc(Cl)c3)CC2(C)C)CC[N@@H+]1C ZINC000974603041 763035896 /nfs/dbraw/zinc/03/58/96/763035896.db2.gz AZVGZOKZQOIPJM-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3cccc(Cl)c3)CC2(C)C)CC[N@H+]1C ZINC000974603041 763035904 /nfs/dbraw/zinc/03/59/04/763035904.db2.gz AZVGZOKZQOIPJM-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3cccc(Cl)c3)CC2(C)C)CC[NH+]1C ZINC000974603041 763035910 /nfs/dbraw/zinc/03/59/10/763035910.db2.gz AZVGZOKZQOIPJM-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC2(C)C)CC[NH+]1C ZINC000974603041 763035916 /nfs/dbraw/zinc/03/59/16/763035916.db2.gz AZVGZOKZQOIPJM-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000983713196 763663683 /nfs/dbraw/zinc/66/36/83/763663683.db2.gz HOBRBWFVVDFWDY-DARAHFNDSA-N 2 1 369.962 3.116 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3C)C2)CC[N@H+]1C ZINC001018870416 765847013 /nfs/dbraw/zinc/84/70/13/765847013.db2.gz MXYYOHNRGTUFFY-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023991395 766047561 /nfs/dbraw/zinc/04/75/61/766047561.db2.gz VTWVGZIFIIEFQV-SZVBFZGTSA-N 2 1 363.571 3.033 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2Cl)CC[N@@H+]1C ZINC001024446966 766053092 /nfs/dbraw/zinc/05/30/92/766053092.db2.gz MNFWPWXZZGNYHS-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2Cl)CC[N@H+]1C ZINC001024446966 766053099 /nfs/dbraw/zinc/05/30/99/766053099.db2.gz MNFWPWXZZGNYHS-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001024446966 766053104 /nfs/dbraw/zinc/05/31/04/766053104.db2.gz MNFWPWXZZGNYHS-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2Cl)CC[NH+]1C ZINC001024446966 766053109 /nfs/dbraw/zinc/05/31/09/766053109.db2.gz MNFWPWXZZGNYHS-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2csc(C)c2)CC[N@H+]1C ZINC001024448554 766054058 /nfs/dbraw/zinc/05/40/58/766054058.db2.gz QLJHJQXJNNPHKX-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2csc(C)c2)CC[NH+]1C ZINC001024448554 766054065 /nfs/dbraw/zinc/05/40/65/766054065.db2.gz QLJHJQXJNNPHKX-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2csc(C)c2)CC[NH+]1C ZINC001024448554 766054074 /nfs/dbraw/zinc/05/40/74/766054074.db2.gz QLJHJQXJNNPHKX-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001027892618 766104176 /nfs/dbraw/zinc/10/41/76/766104176.db2.gz AQFGOFGLLMHAIF-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001027892618 766104178 /nfs/dbraw/zinc/10/41/78/766104178.db2.gz AQFGOFGLLMHAIF-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001027892618 766104182 /nfs/dbraw/zinc/10/41/82/766104182.db2.gz AQFGOFGLLMHAIF-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681471 766182641 /nfs/dbraw/zinc/18/26/41/766182641.db2.gz UHDREZLBTQOQHL-ZMYBRWDISA-N 2 1 363.933 3.179 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013854 724381011 /nfs/dbraw/zinc/38/10/11/724381011.db2.gz JDLYOUQQVVFEMA-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+](C)CC(C)(C)C[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000102419015 257350316 /nfs/dbraw/zinc/35/03/16/257350316.db2.gz FWSZLMWEADFUMH-UHFFFAOYSA-N 2 1 353.304 3.402 20 0 FGADMP C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2C(N)=O)[C@H]1c1ccc(Cl)c(F)c1 ZINC000302145620 257385405 /nfs/dbraw/zinc/38/54/05/257385405.db2.gz JBVYGVDKPPBAKX-YVEFUNNKSA-N 2 1 362.836 3.078 20 0 FGADMP Ic1cccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000310984889 498747310 /nfs/dbraw/zinc/74/73/10/498747310.db2.gz KFFZYIPZNKLAHA-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000310984889 498747317 /nfs/dbraw/zinc/74/73/17/498747317.db2.gz KFFZYIPZNKLAHA-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000310984889 498747318 /nfs/dbraw/zinc/74/73/18/498747318.db2.gz KFFZYIPZNKLAHA-CABCVRRESA-N 2 1 356.251 3.008 20 0 FGADMP C/C(=C/c1ccccc1OC(F)F)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000573647699 505585881 /nfs/dbraw/zinc/58/58/81/505585881.db2.gz RDIKGIBOFOLBGA-QMJOVRGKSA-N 2 1 368.468 3.374 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000567987109 505590608 /nfs/dbraw/zinc/59/06/08/505590608.db2.gz QMVKYSXQPRRSMX-PZJWPPBQSA-N 2 1 371.550 3.452 20 0 FGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1OC ZINC000567990679 505591420 /nfs/dbraw/zinc/59/14/20/505591420.db2.gz VZNWKOIBRKLZEZ-XKQJLSEDSA-N 2 1 373.522 3.387 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cs2)c1OC ZINC000567990679 505591422 /nfs/dbraw/zinc/59/14/22/505591422.db2.gz VZNWKOIBRKLZEZ-XKQJLSEDSA-N 2 1 373.522 3.387 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000570910000 505609479 /nfs/dbraw/zinc/60/94/79/505609479.db2.gz VYSTUIKJRDTDFI-MGPUTAFESA-N 2 1 350.466 3.074 20 0 FGADMP O=C1CCCN1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000579732984 505610455 /nfs/dbraw/zinc/61/04/55/505610455.db2.gz FZRKORZDMSPENP-FGZHOGPDSA-N 2 1 369.553 3.217 20 0 FGADMP C[C@H](C[NH+]1CC[C@@H](c2ccncc2)C1)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000568176982 505635217 /nfs/dbraw/zinc/63/52/17/505635217.db2.gz JZFMWUKVFAHFHF-RGPKIKJVSA-N 2 1 350.510 3.392 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](c2ccncc2)C1)C[N@@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568176982 505635222 /nfs/dbraw/zinc/63/52/22/505635222.db2.gz JZFMWUKVFAHFHF-RGPKIKJVSA-N 2 1 350.510 3.392 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](c2ccncc2)C1)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568176982 505635226 /nfs/dbraw/zinc/63/52/26/505635226.db2.gz JZFMWUKVFAHFHF-RGPKIKJVSA-N 2 1 350.510 3.392 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200868 505642473 /nfs/dbraw/zinc/64/24/73/505642473.db2.gz BOWNDHMLRKRLOD-ICSRJNTNSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200868 505642474 /nfs/dbraw/zinc/64/24/74/505642474.db2.gz BOWNDHMLRKRLOD-ICSRJNTNSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200868 505642479 /nfs/dbraw/zinc/64/24/79/505642479.db2.gz BOWNDHMLRKRLOD-ICSRJNTNSA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(=O)OC)n(C)c2)CC1)CC1CC1 ZINC000577025517 505647283 /nfs/dbraw/zinc/64/72/83/505647283.db2.gz GBGXNUBVIZYLTI-UHFFFAOYSA-N 2 1 361.530 3.146 20 0 FGADMP C[C@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952997 505652135 /nfs/dbraw/zinc/65/21/35/505652135.db2.gz YTEHXAMIGVMPRK-RHSMWYFYSA-N 2 1 371.447 3.128 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573945445 505658115 /nfs/dbraw/zinc/65/81/15/505658115.db2.gz XCCUTAJMMRMBFV-NQIIRXRSSA-N 2 1 373.541 3.141 20 0 FGADMP Cc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000047968495 493767490 /nfs/dbraw/zinc/76/74/90/493767490.db2.gz OBNNPDKMODQSLX-IBGZPJMESA-N 2 1 357.542 3.288 20 0 FGADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)ccc1OCc1ccncc1 ZINC000075734289 493774323 /nfs/dbraw/zinc/77/43/23/493774323.db2.gz LRUDHVSDXJYKEJ-UHFFFAOYSA-N 2 1 355.482 3.245 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382266 505680776 /nfs/dbraw/zinc/68/07/76/505680776.db2.gz VNNWPGASPNRLPN-NVXWUHKLSA-N 2 1 374.447 3.013 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000568382268 505680905 /nfs/dbraw/zinc/68/09/05/505680905.db2.gz VNNWPGASPNRLPN-WBVHZDCISA-N 2 1 374.447 3.013 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@@H+]3CCCC[C@H]3C)c2cc1C ZINC000568384030 505681884 /nfs/dbraw/zinc/68/18/84/505681884.db2.gz SQSSIVWUASSDPV-UXHICEINSA-N 2 1 372.557 3.258 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012531 493812614 /nfs/dbraw/zinc/81/26/14/493812614.db2.gz UERBNWVXVWEJHH-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012531 493812616 /nfs/dbraw/zinc/81/26/16/493812616.db2.gz UERBNWVXVWEJHH-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012531 493812620 /nfs/dbraw/zinc/81/26/20/493812620.db2.gz UERBNWVXVWEJHH-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012531 493812623 /nfs/dbraw/zinc/81/26/23/493812623.db2.gz UERBNWVXVWEJHH-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1CCCN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000057924445 493815366 /nfs/dbraw/zinc/81/53/66/493815366.db2.gz UXNBQKFCNSHDDQ-IBGZPJMESA-N 2 1 357.542 3.089 20 0 FGADMP COC(=O)c1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109784 493823768 /nfs/dbraw/zinc/82/37/68/493823768.db2.gz DDRXGLLYMOJICL-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109784 493823770 /nfs/dbraw/zinc/82/37/70/493823770.db2.gz DDRXGLLYMOJICL-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000076109784 493823772 /nfs/dbraw/zinc/82/37/72/493823772.db2.gz DDRXGLLYMOJICL-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000076109784 493823774 /nfs/dbraw/zinc/82/37/74/493823774.db2.gz DDRXGLLYMOJICL-HXUWFJFHSA-N 2 1 352.478 3.427 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096403 493831603 /nfs/dbraw/zinc/83/16/03/493831603.db2.gz QAQBYAASUUUQFJ-CXAGYDPISA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096403 493831604 /nfs/dbraw/zinc/83/16/04/493831604.db2.gz QAQBYAASUUUQFJ-CXAGYDPISA-N 2 1 355.885 3.470 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)[C@H](C)C1 ZINC000081096403 493831606 /nfs/dbraw/zinc/83/16/06/493831606.db2.gz QAQBYAASUUUQFJ-CXAGYDPISA-N 2 1 355.885 3.470 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000068597324 493846435 /nfs/dbraw/zinc/84/64/35/493846435.db2.gz VAEDPXMFIMSOFK-ROUUACIJSA-N 2 1 360.546 3.200 20 0 FGADMP C[NH+]1CCC(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000081315369 493867228 /nfs/dbraw/zinc/86/72/28/493867228.db2.gz BFRPABBFXABDFH-UHFFFAOYSA-N 2 1 365.521 3.147 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@@H]21 ZINC000577220721 505690406 /nfs/dbraw/zinc/69/04/06/505690406.db2.gz LJMAZFMFUBUCNK-IZBJGVDFSA-N 2 1 370.541 3.079 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000061501588 493981036 /nfs/dbraw/zinc/98/10/36/493981036.db2.gz OLPYDSVTLYFRES-BGYRXZFFSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000061501588 493981037 /nfs/dbraw/zinc/98/10/37/493981037.db2.gz OLPYDSVTLYFRES-BGYRXZFFSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000061501588 493981041 /nfs/dbraw/zinc/98/10/41/493981041.db2.gz OLPYDSVTLYFRES-BGYRXZFFSA-N 2 1 374.573 3.176 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000052208464 494011300 /nfs/dbraw/zinc/01/13/00/494011300.db2.gz CRXNNHCSMSYCDX-LJQANCHMSA-N 2 1 352.494 3.009 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CC(C)C)C(C)C)CC1 ZINC000052589443 494043392 /nfs/dbraw/zinc/04/33/92/494043392.db2.gz UPPPJRFINIYYPI-UHFFFAOYSA-N 2 1 359.558 3.442 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063665411 494075558 /nfs/dbraw/zinc/07/55/58/494075558.db2.gz KIKNGEARDVMJNX-IBGZPJMESA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000072055264 494122144 /nfs/dbraw/zinc/12/21/44/494122144.db2.gz HKIPDKMYBDVWQX-QZTJIDSGSA-N 2 1 365.949 3.209 20 0 FGADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086284013 494147733 /nfs/dbraw/zinc/14/77/33/494147733.db2.gz CTRVAXJBDUTKTQ-WMZOPIPTSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086284013 494147735 /nfs/dbraw/zinc/14/77/35/494147735.db2.gz CTRVAXJBDUTKTQ-WMZOPIPTSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000086365122 494150068 /nfs/dbraw/zinc/15/00/68/494150068.db2.gz VZSPNDLGOVWHSX-IAGOWNOFSA-N 2 1 369.513 3.415 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000065480346 494202558 /nfs/dbraw/zinc/20/25/58/494202558.db2.gz BGZRWGGHOLAWBJ-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000568495061 505708836 /nfs/dbraw/zinc/70/88/36/505708836.db2.gz RHDKHRUXHQWCRA-BBTUJRGHSA-N 2 1 357.542 3.331 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000088741009 494257616 /nfs/dbraw/zinc/25/76/16/494257616.db2.gz KMHNXCYJFMBKAF-BPQIPLTHSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000088741009 494257619 /nfs/dbraw/zinc/25/76/19/494257619.db2.gz KMHNXCYJFMBKAF-BPQIPLTHSA-N 2 1 355.448 3.266 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000044277310 494346373 /nfs/dbraw/zinc/34/63/73/494346373.db2.gz SDVPWDFNWGLNOR-UHFFFAOYSA-N 2 1 366.509 3.140 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)CC1 ZINC000066568227 494357011 /nfs/dbraw/zinc/35/70/11/494357011.db2.gz ZUKCWENTBWLOGX-JOCHJYFZSA-N 2 1 369.553 3.330 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)CC1 ZINC000066568465 494357208 /nfs/dbraw/zinc/35/72/08/494357208.db2.gz JKKGDZOIWUFERG-QGZVFWFLSA-N 2 1 361.505 3.153 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000073432845 494370724 /nfs/dbraw/zinc/37/07/24/494370724.db2.gz QFDBKYPFWGNDIO-UHFFFAOYSA-N 2 1 357.542 3.230 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000073537756 494386041 /nfs/dbraw/zinc/38/60/41/494386041.db2.gz OTDNBFWDUYHULD-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000073537756 494386047 /nfs/dbraw/zinc/38/60/47/494386047.db2.gz OTDNBFWDUYHULD-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000073537756 494386052 /nfs/dbraw/zinc/38/60/52/494386052.db2.gz OTDNBFWDUYHULD-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000079121449 494406436 /nfs/dbraw/zinc/40/64/36/494406436.db2.gz JOPNZJAEQDGUAO-QUCCMNQESA-N 2 1 360.546 3.243 20 0 FGADMP COCC[NH+]1CCC([NH2+]CCc2nc(C3CCCCC3)cs2)CC1 ZINC000090046504 494433251 /nfs/dbraw/zinc/43/32/51/494433251.db2.gz BMJQMNKXPBTJBZ-UHFFFAOYSA-N 2 1 351.560 3.434 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000073911036 494447596 /nfs/dbraw/zinc/44/75/96/494447596.db2.gz FWYHEHMBNXDCPI-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461530 494458966 /nfs/dbraw/zinc/45/89/66/494458966.db2.gz FSGHMMXAXAEYNH-YLJYHZDGSA-N 2 1 356.514 3.161 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461530 494458971 /nfs/dbraw/zinc/45/89/71/494458971.db2.gz FSGHMMXAXAEYNH-YLJYHZDGSA-N 2 1 356.514 3.161 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3nccn3C)cc2)[C@H](C)C1 ZINC000079461530 494458976 /nfs/dbraw/zinc/45/89/76/494458976.db2.gz FSGHMMXAXAEYNH-YLJYHZDGSA-N 2 1 356.514 3.161 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056158873 494463035 /nfs/dbraw/zinc/46/30/35/494463035.db2.gz SZZRQQIBWVGPCU-SVMVAKDDSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056158873 494463041 /nfs/dbraw/zinc/46/30/41/494463041.db2.gz SZZRQQIBWVGPCU-SVMVAKDDSA-N 2 1 365.521 3.481 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H](C)C2)on1 ZINC000056156163 494463474 /nfs/dbraw/zinc/46/34/74/494463474.db2.gz SEBWQSNUUMNIQD-RDJZCZTQSA-N 2 1 370.497 3.332 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)on1 ZINC000056156163 494463480 /nfs/dbraw/zinc/46/34/80/494463480.db2.gz SEBWQSNUUMNIQD-RDJZCZTQSA-N 2 1 370.497 3.332 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090522723 494478646 /nfs/dbraw/zinc/47/86/46/494478646.db2.gz NHQUTAGPMZUQAA-XKQJLSEDSA-N 2 1 351.560 3.432 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000074102018 494481423 /nfs/dbraw/zinc/48/14/23/494481423.db2.gz OKVMTNVOWJXJQV-IBGZPJMESA-N 2 1 354.498 3.130 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000074102018 494481427 /nfs/dbraw/zinc/48/14/27/494481427.db2.gz OKVMTNVOWJXJQV-IBGZPJMESA-N 2 1 354.498 3.130 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000074319865 494518733 /nfs/dbraw/zinc/51/87/33/494518733.db2.gz KVXBAMZAQBUNIK-MRXNPFEDSA-N 2 1 356.514 3.428 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000074319865 494518740 /nfs/dbraw/zinc/51/87/40/494518740.db2.gz KVXBAMZAQBUNIK-MRXNPFEDSA-N 2 1 356.514 3.428 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000107832861 494608338 /nfs/dbraw/zinc/60/83/38/494608338.db2.gz WFRIOZHCSZQRLL-NRFANRHFSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000067685713 494610992 /nfs/dbraw/zinc/61/09/92/494610992.db2.gz JOTYYHDHOFAOGI-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000092587799 494680352 /nfs/dbraw/zinc/68/03/52/494680352.db2.gz DDTLWYLEFLREFM-SFHVURJKSA-N 2 1 353.514 3.416 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000092587799 494680359 /nfs/dbraw/zinc/68/03/59/494680359.db2.gz DDTLWYLEFLREFM-SFHVURJKSA-N 2 1 353.514 3.416 20 0 FGADMP COc1ccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000092645035 494694671 /nfs/dbraw/zinc/69/46/71/494694671.db2.gz AEVGIZOMWDGJTN-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP COc1ccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000092645035 494694680 /nfs/dbraw/zinc/69/46/80/494694680.db2.gz AEVGIZOMWDGJTN-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000121372093 494725148 /nfs/dbraw/zinc/72/51/48/494725148.db2.gz AIWLPQMSEYHIHU-RBUKOAKNSA-N 2 1 374.573 3.393 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000108549549 494735024 /nfs/dbraw/zinc/73/50/24/494735024.db2.gz YGQDLXODBHLDDR-LJQANCHMSA-N 2 1 372.557 3.060 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)c2ccccc2)CC1 ZINC000108561914 494740218 /nfs/dbraw/zinc/74/02/18/494740218.db2.gz MPQQLANEMOYYSJ-CTNGQTDRSA-N 2 1 372.557 3.101 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000121482469 494776809 /nfs/dbraw/zinc/77/68/09/494776809.db2.gz XIZZFIZIYHURGX-UONOGXRCSA-N 2 1 356.449 3.207 20 0 FGADMP Cc1ccc([C@H](CNc2cncc(-n3cc[nH+]c3C)n2)[NH+]2CCCC2)o1 ZINC000092893883 494784105 /nfs/dbraw/zinc/78/41/05/494784105.db2.gz PYYXYWUQBNEHJZ-INIZCTEOSA-N 2 1 352.442 3.121 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000092924366 494787686 /nfs/dbraw/zinc/78/76/86/494787686.db2.gz UECZHXOUAUBEIP-UHFFFAOYSA-N 2 1 354.502 3.063 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cn(C)nc2-c2ccccc2)C[C@H](C)O1 ZINC000093066169 494822093 /nfs/dbraw/zinc/82/20/93/494822093.db2.gz OTHDLQULVMTEPV-HDICACEKSA-N 2 1 356.514 3.066 20 0 FGADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCc1cccnc1 ZINC000092253793 494822406 /nfs/dbraw/zinc/82/24/06/494822406.db2.gz GDJXIDLFUQVYOU-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OCc1cccnc1 ZINC000092253793 494822408 /nfs/dbraw/zinc/82/24/08/494822408.db2.gz GDJXIDLFUQVYOU-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OCc1cccnc1 ZINC000092253793 494822414 /nfs/dbraw/zinc/82/24/14/494822414.db2.gz GDJXIDLFUQVYOU-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP COc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OCc1cccnc1 ZINC000092253793 494822419 /nfs/dbraw/zinc/82/24/19/494822419.db2.gz GDJXIDLFUQVYOU-FQEVSTJZSA-N 2 1 369.509 3.443 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000577529617 505746085 /nfs/dbraw/zinc/74/60/85/505746085.db2.gz VVKKRZINDWQVQI-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816771 494857166 /nfs/dbraw/zinc/85/71/66/494857166.db2.gz IVOBQYBQGAUZEB-MRXNPFEDSA-N 2 1 353.894 3.093 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)oc1C ZINC000121799092 494862452 /nfs/dbraw/zinc/86/24/52/494862452.db2.gz ORQHVDXJUVZNEF-SXLOBPIMSA-N 2 1 359.514 3.051 20 0 FGADMP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000577532745 505746744 /nfs/dbraw/zinc/74/67/44/505746744.db2.gz QYNZHNCARXYBHW-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)C1CCCC1 ZINC000577532745 505746746 /nfs/dbraw/zinc/74/67/46/505746746.db2.gz QYNZHNCARXYBHW-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccoc3)C3CCCCC3)cn2)CC1 ZINC000093581952 494901885 /nfs/dbraw/zinc/90/18/85/494901885.db2.gz TYKXZOKIYGWWEH-UHFFFAOYSA-N 2 1 369.513 3.156 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccoc3)C3CCCCC3)cn2)CC1 ZINC000093581952 494901888 /nfs/dbraw/zinc/90/18/88/494901888.db2.gz TYKXZOKIYGWWEH-UHFFFAOYSA-N 2 1 369.513 3.156 20 0 FGADMP CCO[C@H]1C[C@H](O)C12CC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613966 494905584 /nfs/dbraw/zinc/90/55/84/494905584.db2.gz PLUMCOVXMLDYQU-SFTDATJTSA-N 2 1 374.569 3.397 20 0 FGADMP CCO[C@H]1C[C@H](O)C12CC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613966 494905585 /nfs/dbraw/zinc/90/55/85/494905585.db2.gz PLUMCOVXMLDYQU-SFTDATJTSA-N 2 1 374.569 3.397 20 0 FGADMP CC[C@H](Cc1ccccc1)[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093704659 494914003 /nfs/dbraw/zinc/91/40/03/494914003.db2.gz QRNZTQMWSWQSJA-OAQYLSRUSA-N 2 1 367.541 3.072 20 0 FGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000093704659 494914005 /nfs/dbraw/zinc/91/40/05/494914005.db2.gz QRNZTQMWSWQSJA-OAQYLSRUSA-N 2 1 367.541 3.072 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120893 494927492 /nfs/dbraw/zinc/92/74/92/494927492.db2.gz ORXDGHRQZMEJKR-DYESRHJHSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120893 494927496 /nfs/dbraw/zinc/92/74/96/494927496.db2.gz ORXDGHRQZMEJKR-DYESRHJHSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120893 494927499 /nfs/dbraw/zinc/92/74/99/494927499.db2.gz ORXDGHRQZMEJKR-DYESRHJHSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccccc1N(C)C ZINC000093941540 494937101 /nfs/dbraw/zinc/93/71/01/494937101.db2.gz NXLXHGDEZKHBHT-SFHVURJKSA-N 2 1 353.510 3.436 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000122844940 495040071 /nfs/dbraw/zinc/04/00/71/495040071.db2.gz NYOJCTXJDWVUSK-IEBWSBKVSA-N 2 1 373.541 3.187 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000122844940 495040074 /nfs/dbraw/zinc/04/00/74/495040074.db2.gz NYOJCTXJDWVUSK-IEBWSBKVSA-N 2 1 373.541 3.187 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000118963111 495059614 /nfs/dbraw/zinc/05/96/14/495059614.db2.gz QQMFIDZPWDAOPK-KXBFYZLASA-N 2 1 354.922 3.241 20 0 FGADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C(C)(C)O ZINC000119002602 495068287 /nfs/dbraw/zinc/06/82/87/495068287.db2.gz GYVFSSBGBALMIN-BGYRXZFFSA-N 2 1 360.542 3.157 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000119002602 495068289 /nfs/dbraw/zinc/06/82/89/495068289.db2.gz GYVFSSBGBALMIN-BGYRXZFFSA-N 2 1 360.542 3.157 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000119002602 495068291 /nfs/dbraw/zinc/06/82/91/495068291.db2.gz GYVFSSBGBALMIN-BGYRXZFFSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000101546998 495075538 /nfs/dbraw/zinc/07/55/38/495075538.db2.gz DHPRLFNZDRMMHD-KRWDZBQOSA-N 2 1 361.555 3.296 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096073 /nfs/dbraw/zinc/09/60/73/495096073.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096077 /nfs/dbraw/zinc/09/60/77/495096077.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096081 /nfs/dbraw/zinc/09/60/81/495096081.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096085 /nfs/dbraw/zinc/09/60/85/495096085.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119111673 495096089 /nfs/dbraw/zinc/09/60/89/495096089.db2.gz KIJZVHMMSBSZLD-PUHATCMVSA-N 2 1 373.585 3.378 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000128617307 495125070 /nfs/dbraw/zinc/12/50/70/495125070.db2.gz BYRVFOUAKWEHJX-QGZVFWFLSA-N 2 1 358.555 3.488 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1C1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000102927914 495173787 /nfs/dbraw/zinc/17/37/87/495173787.db2.gz FKPYJCJUONMMBX-HXUWFJFHSA-N 2 1 373.566 3.438 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)[nH+]c1 ZINC000119501260 495179068 /nfs/dbraw/zinc/17/90/68/495179068.db2.gz GKPBCIWLINYQHY-QZTJIDSGSA-N 2 1 373.545 3.144 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)[nH+]c1 ZINC000119501260 495179069 /nfs/dbraw/zinc/17/90/69/495179069.db2.gz GKPBCIWLINYQHY-QZTJIDSGSA-N 2 1 373.545 3.144 20 0 FGADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000134698015 495188067 /nfs/dbraw/zinc/18/80/67/495188067.db2.gz AIYRKFKWYUKGAC-KRWDZBQOSA-N 2 1 369.509 3.012 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000134698015 495188069 /nfs/dbraw/zinc/18/80/69/495188069.db2.gz AIYRKFKWYUKGAC-KRWDZBQOSA-N 2 1 369.509 3.012 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410302 505766840 /nfs/dbraw/zinc/76/68/40/505766840.db2.gz FXWPQKKCTXMBSL-DOMZBBRYSA-N 2 1 361.287 3.218 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410302 505766844 /nfs/dbraw/zinc/76/68/44/505766844.db2.gz FXWPQKKCTXMBSL-DOMZBBRYSA-N 2 1 361.287 3.218 20 0 FGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410305 505767306 /nfs/dbraw/zinc/76/73/06/505767306.db2.gz FXWPQKKCTXMBSL-WFASDCNBSA-N 2 1 361.287 3.218 20 0 FGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000574410305 505767307 /nfs/dbraw/zinc/76/73/07/505767307.db2.gz FXWPQKKCTXMBSL-WFASDCNBSA-N 2 1 361.287 3.218 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134910775 495221938 /nfs/dbraw/zinc/22/19/38/495221938.db2.gz APNBHYNMCDBESV-SYYKKAFVSA-N 2 1 372.553 3.498 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134910775 495221940 /nfs/dbraw/zinc/22/19/40/495221940.db2.gz APNBHYNMCDBESV-SYYKKAFVSA-N 2 1 372.553 3.498 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134910775 495221943 /nfs/dbraw/zinc/22/19/43/495221943.db2.gz APNBHYNMCDBESV-SYYKKAFVSA-N 2 1 372.553 3.498 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129489900 495252857 /nfs/dbraw/zinc/25/28/57/495252857.db2.gz SNHBEYOHMOLPNA-UWJYYQICSA-N 2 1 351.494 3.235 20 0 FGADMP CSCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000119898275 495264650 /nfs/dbraw/zinc/26/46/50/495264650.db2.gz MWSRCOMLZUHCPZ-INIZCTEOSA-N 2 1 358.515 3.098 20 0 FGADMP COC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265834 /nfs/dbraw/zinc/26/58/34/495265834.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265838 /nfs/dbraw/zinc/26/58/38/495265838.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP COC[C@@H]1CCC[NH+](Cc2cccc(C[N@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990928 495265844 /nfs/dbraw/zinc/26/58/44/495265844.db2.gz BKWDPQFNPSQRBV-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000135238988 495267657 /nfs/dbraw/zinc/26/76/57/495267657.db2.gz SUPYGIARVATVSE-UHFFFAOYSA-N 2 1 350.413 3.179 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000120077625 495302110 /nfs/dbraw/zinc/30/21/10/495302110.db2.gz UVSIORYPPLBOCS-UHFFFAOYSA-N 2 1 353.514 3.016 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCCN1c1ccccc1Cl ZINC000568749279 505769925 /nfs/dbraw/zinc/76/99/25/505769925.db2.gz HXCZRLIHWMLTAX-QFBILLFUSA-N 2 1 361.917 3.157 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120378633 495364516 /nfs/dbraw/zinc/36/45/16/495364516.db2.gz QVMCIVXNHSIYEN-AZUAARDMSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120378633 495364520 /nfs/dbraw/zinc/36/45/20/495364520.db2.gz QVMCIVXNHSIYEN-AZUAARDMSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000137492742 495442914 /nfs/dbraw/zinc/44/29/14/495442914.db2.gz COOPANGGSBEXTH-HKUYNNGSSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000137492742 495442915 /nfs/dbraw/zinc/44/29/15/495442915.db2.gz COOPANGGSBEXTH-HKUYNNGSSA-N 2 1 354.498 3.176 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000125458323 495447976 /nfs/dbraw/zinc/44/79/76/495447976.db2.gz KRTWMUSMXDWDIR-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000125534107 495459260 /nfs/dbraw/zinc/45/92/60/495459260.db2.gz FQMKMVPWYDTCIM-CYBMUJFWSA-N 2 1 351.288 3.108 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000125534107 495459266 /nfs/dbraw/zinc/45/92/66/495459266.db2.gz FQMKMVPWYDTCIM-CYBMUJFWSA-N 2 1 351.288 3.108 20 0 FGADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000106530575 495463298 /nfs/dbraw/zinc/46/32/98/495463298.db2.gz WTDCYWAWPIYJJR-LJQANCHMSA-N 2 1 367.497 3.095 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000130952960 495471124 /nfs/dbraw/zinc/47/11/24/495471124.db2.gz HZBLBPUBUBCMPI-CYBMUJFWSA-N 2 1 366.412 3.142 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC(F)F ZINC000130952960 495471129 /nfs/dbraw/zinc/47/11/29/495471129.db2.gz HZBLBPUBUBCMPI-CYBMUJFWSA-N 2 1 366.412 3.142 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C(C)C)CC1 ZINC000140588363 495497850 /nfs/dbraw/zinc/49/78/50/495497850.db2.gz BISZOFXGQYYJPP-NRFANRHFSA-N 2 1 357.542 3.196 20 0 FGADMP C[C@@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374067 495537161 /nfs/dbraw/zinc/53/71/61/495537161.db2.gz MHUNPQIFYCLXTF-YLJYHZDGSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182386795 495542674 /nfs/dbraw/zinc/54/26/74/495542674.db2.gz MYJLECYPVWXJJG-ZWKOTPCHSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158648030 495558390 /nfs/dbraw/zinc/55/83/90/495558390.db2.gz YHPDMRRWOTWZOX-BBWFWOEESA-N 2 1 352.544 3.109 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000158648030 495558392 /nfs/dbraw/zinc/55/83/92/495558392.db2.gz YHPDMRRWOTWZOX-BBWFWOEESA-N 2 1 352.544 3.109 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182424217 495558840 /nfs/dbraw/zinc/55/88/40/495558840.db2.gz SUCFAERRMJAARH-IRXDYDNUSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182424217 495558846 /nfs/dbraw/zinc/55/88/46/495558846.db2.gz SUCFAERRMJAARH-IRXDYDNUSA-N 2 1 354.922 3.052 20 0 FGADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182426329 495560204 /nfs/dbraw/zinc/56/02/04/495560204.db2.gz BBQSCWIRYJGDOM-DHIUTWEWSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182426329 495560210 /nfs/dbraw/zinc/56/02/10/495560210.db2.gz BBQSCWIRYJGDOM-DHIUTWEWSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182426329 495560216 /nfs/dbraw/zinc/56/02/16/495560216.db2.gz BBQSCWIRYJGDOM-DHIUTWEWSA-N 2 1 352.522 3.434 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)CC1 ZINC000182438482 495563805 /nfs/dbraw/zinc/56/38/05/495563805.db2.gz QYYZEJZEBNQVJH-KRWDZBQOSA-N 2 1 354.922 3.194 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000158715308 495574972 /nfs/dbraw/zinc/57/49/72/495574972.db2.gz WQEBATIQTAYKMR-QKNQBKEWSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158715308 495574976 /nfs/dbraw/zinc/57/49/76/495574976.db2.gz WQEBATIQTAYKMR-QKNQBKEWSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000158715308 495574981 /nfs/dbraw/zinc/57/49/81/495574981.db2.gz WQEBATIQTAYKMR-QKNQBKEWSA-N 2 1 374.573 3.411 20 0 FGADMP c1cc(C[N@H+]2CCOC3(CCC3)C2)ccc1C[NH+]1CCOC2(CCC2)C1 ZINC000154329031 495583457 /nfs/dbraw/zinc/58/34/57/495583457.db2.gz ZCIVLFDOWAHLNM-UHFFFAOYSA-N 2 1 356.510 3.196 20 0 FGADMP CCC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351704 495589275 /nfs/dbraw/zinc/58/92/75/495589275.db2.gz YHNJOSVIDFRACM-LMNJBCLMSA-N 2 1 372.557 3.466 20 0 FGADMP CCC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351704 495589281 /nfs/dbraw/zinc/58/92/81/495589281.db2.gz YHNJOSVIDFRACM-LMNJBCLMSA-N 2 1 372.557 3.466 20 0 FGADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)c1 ZINC000154380921 495598648 /nfs/dbraw/zinc/59/86/48/495598648.db2.gz RSWMDZVOUISXQS-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP CCOC[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](COCC)C3)cc2)C1 ZINC000176322354 495600383 /nfs/dbraw/zinc/60/03/83/495600383.db2.gz WFIDJMZUADDSGT-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CCOC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](COCC)C3)cc2)C1 ZINC000176322354 495600390 /nfs/dbraw/zinc/60/03/90/495600390.db2.gz WFIDJMZUADDSGT-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP CCOC[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CC[C@H](COCC)C3)cc2)C1 ZINC000176322354 495600395 /nfs/dbraw/zinc/60/03/95/495600395.db2.gz WFIDJMZUADDSGT-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510349 495605220 /nfs/dbraw/zinc/60/52/20/495605220.db2.gz WOGPOYHCHKLVOF-ABHNRTSZSA-N 2 1 361.496 3.457 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000150175919 495607486 /nfs/dbraw/zinc/60/74/86/495607486.db2.gz SCODUEDVHVPFSO-HXUWFJFHSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1nc(-c2ccccc2)cs1 ZINC000154429010 495614103 /nfs/dbraw/zinc/61/41/03/495614103.db2.gz ZASLKYHBMBNGTM-KRWDZBQOSA-N 2 1 358.555 3.488 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182576999 495622349 /nfs/dbraw/zinc/62/23/49/495622349.db2.gz GRZBQRBRWACTDA-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000158993495 495633092 /nfs/dbraw/zinc/63/30/92/495633092.db2.gz MXKNCLVKJCDSDQ-OAQYLSRUSA-N 2 1 367.537 3.321 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000158993495 495633096 /nfs/dbraw/zinc/63/30/96/495633096.db2.gz MXKNCLVKJCDSDQ-OAQYLSRUSA-N 2 1 367.537 3.321 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000580602550 505794175 /nfs/dbraw/zinc/79/41/75/505794175.db2.gz JYPNHYJLZHBADH-AJSBUHFISA-N 2 1 352.522 3.399 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669458 495670772 /nfs/dbraw/zinc/67/07/72/495670772.db2.gz PUGGRQMPCHFFGT-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669458 495670777 /nfs/dbraw/zinc/67/07/77/495670777.db2.gz PUGGRQMPCHFFGT-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000159188571 495680476 /nfs/dbraw/zinc/68/04/76/495680476.db2.gz IVTABBUMKGBCOY-GOSISDBHSA-N 2 1 356.514 3.083 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000154648215 495683386 /nfs/dbraw/zinc/68/33/86/495683386.db2.gz DXKBMPQJKTYALM-GOSISDBHSA-N 2 1 361.505 3.158 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CCOC[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159263328 495696284 /nfs/dbraw/zinc/69/62/84/495696284.db2.gz LOQUXOVWVPOJMX-FSSWDIPSSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](CCOC[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159263328 495696287 /nfs/dbraw/zinc/69/62/87/495696287.db2.gz LOQUXOVWVPOJMX-FSSWDIPSSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](CCOC[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159263328 495696291 /nfs/dbraw/zinc/69/62/91/495696291.db2.gz LOQUXOVWVPOJMX-FSSWDIPSSA-N 2 1 358.526 3.169 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](CCOC[C@@H]4CCCO4)CC[C@@H]32)cc1 ZINC000159263328 495696294 /nfs/dbraw/zinc/69/62/94/495696294.db2.gz LOQUXOVWVPOJMX-FSSWDIPSSA-N 2 1 358.526 3.169 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740539 495704624 /nfs/dbraw/zinc/70/46/24/495704624.db2.gz BIXNIYISMSDGQV-RDJZCZTQSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740539 495704633 /nfs/dbraw/zinc/70/46/33/495704633.db2.gz BIXNIYISMSDGQV-RDJZCZTQSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751380 495709641 /nfs/dbraw/zinc/70/96/41/495709641.db2.gz PWGWUPIOVBYTFS-SCTDSRPQSA-N 2 1 371.525 3.150 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000151009429 495709817 /nfs/dbraw/zinc/70/98/17/495709817.db2.gz NZVOHIGIAFCWNS-VNHYZAJKSA-N 2 1 360.420 3.455 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000151009429 495709823 /nfs/dbraw/zinc/70/98/23/495709823.db2.gz NZVOHIGIAFCWNS-VNHYZAJKSA-N 2 1 360.420 3.455 20 0 FGADMP CCc1cnccc1C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000185754027 495711196 /nfs/dbraw/zinc/71/11/96/495711196.db2.gz QLBXWNJHEKWUJQ-SFTDATJTSA-N 2 1 372.557 3.053 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccn(C)c2c1 ZINC000173834566 495712783 /nfs/dbraw/zinc/71/27/83/495712783.db2.gz ZZJZIQLQOBSBGT-IBGZPJMESA-N 2 1 371.529 3.058 20 0 FGADMP CC[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000185796018 495729472 /nfs/dbraw/zinc/72/94/72/495729472.db2.gz NFDNKYFSNWTPQB-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CN(c1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000151084641 495732457 /nfs/dbraw/zinc/73/24/57/495732457.db2.gz GOJDWNWFYWSRNT-CTNGQTDRSA-N 3 1 358.574 3.179 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCSCc3ccccc3)C2)CC1 ZINC000182900367 495747389 /nfs/dbraw/zinc/74/73/89/495747389.db2.gz OODKKABMJIXQGN-OAQYLSRUSA-N 2 1 361.599 3.412 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000182900367 495747398 /nfs/dbraw/zinc/74/73/98/495747398.db2.gz OODKKABMJIXQGN-OAQYLSRUSA-N 2 1 361.599 3.412 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000173949709 495759344 /nfs/dbraw/zinc/75/93/44/495759344.db2.gz MIAHSNWPUBODDR-JAXLGGSGSA-N 2 1 360.542 3.248 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000173949709 495759349 /nfs/dbraw/zinc/75/93/49/495759349.db2.gz MIAHSNWPUBODDR-JAXLGGSGSA-N 2 1 360.542 3.248 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000173949709 495759352 /nfs/dbraw/zinc/75/93/52/495759352.db2.gz MIAHSNWPUBODDR-JAXLGGSGSA-N 2 1 360.542 3.248 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000577846771 505803490 /nfs/dbraw/zinc/80/34/90/505803490.db2.gz ZIBWPFOJGITETD-INMHGKMJSA-N 2 1 351.560 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2cccc(C)c2)cc1 ZINC000183145737 495854016 /nfs/dbraw/zinc/85/40/16/495854016.db2.gz CIBKRAOZZMNPDV-KRWDZBQOSA-N 2 1 362.477 3.456 20 0 FGADMP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000577869159 505809242 /nfs/dbraw/zinc/80/92/42/505809242.db2.gz YAKXNWOXZAOLOI-JOCHJYFZSA-N 2 1 362.517 3.303 20 0 FGADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000577869159 505809243 /nfs/dbraw/zinc/80/92/43/505809243.db2.gz YAKXNWOXZAOLOI-JOCHJYFZSA-N 2 1 362.517 3.303 20 0 FGADMP CC[C@H](C(=O)NCc1ccc(N2CCCC2)nc1)N(C)Cc1ccccc1 ZINC000571779995 505813794 /nfs/dbraw/zinc/81/37/94/505813794.db2.gz FIOXLFXQVZEQPA-HXUWFJFHSA-N 2 1 366.509 3.209 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3ccc(F)c(F)c3)CC2)C[C@H](C)O1 ZINC000152022517 496025128 /nfs/dbraw/zinc/02/51/28/496025128.db2.gz UYLVNXBWKHSJKS-IYBDPMFKSA-N 2 1 352.469 3.329 20 0 FGADMP Cc1ccc(N2CCC([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)CC2)[nH+]c1 ZINC000177368033 496034051 /nfs/dbraw/zinc/03/40/51/496034051.db2.gz HRBZJAPDMFKFOZ-UHFFFAOYSA-N 2 1 374.529 3.348 20 0 FGADMP COc1ccc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)ccc2c1 ZINC000171924478 496094803 /nfs/dbraw/zinc/09/48/03/496094803.db2.gz WJHVZAQPWQEBIZ-UHFFFAOYSA-N 2 1 353.510 3.062 20 0 FGADMP Cc1ccc(NCCCNC(=O)NC2CC[NH+](C3CCCCC3)CC2)[nH+]c1 ZINC000177523985 496097129 /nfs/dbraw/zinc/09/71/29/496097129.db2.gz DVMKOIOZMWSSAV-UHFFFAOYSA-N 2 1 373.545 3.288 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152365723 496128319 /nfs/dbraw/zinc/12/83/19/496128319.db2.gz VXUSMXZXWAEDBQ-NVXWUHKLSA-N 2 1 363.933 3.151 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000174881751 496147197 /nfs/dbraw/zinc/14/71/97/496147197.db2.gz LWTQXBNZDXWHDA-GOSISDBHSA-N 2 1 372.944 3.490 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000174881751 496147202 /nfs/dbraw/zinc/14/72/02/496147202.db2.gz LWTQXBNZDXWHDA-GOSISDBHSA-N 2 1 372.944 3.490 20 0 FGADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)on2)cc1 ZINC000174898062 496155194 /nfs/dbraw/zinc/15/51/94/496155194.db2.gz RAPOQSMLQPMGOP-HXUWFJFHSA-N 2 1 368.525 3.252 20 0 FGADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)on2)cc1 ZINC000174898062 496155201 /nfs/dbraw/zinc/15/52/01/496155201.db2.gz RAPOQSMLQPMGOP-HXUWFJFHSA-N 2 1 368.525 3.252 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684264 496159252 /nfs/dbraw/zinc/15/92/52/496159252.db2.gz SIVQNMMYAXQKNB-XLIONFOSSA-N 2 1 361.505 3.199 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000174910940 496160126 /nfs/dbraw/zinc/16/01/26/496160126.db2.gz PZTHYRVKWBMULI-FQEVSTJZSA-N 2 1 369.513 3.108 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccco1 ZINC000177699673 496163422 /nfs/dbraw/zinc/16/34/22/496163422.db2.gz LDYJNBQKFQEBPW-MJGOQNOKSA-N 2 1 361.530 3.433 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000152625943 496206699 /nfs/dbraw/zinc/20/66/99/496206699.db2.gz MTJLJLRNAQLIEX-UYAOXDASSA-N 2 1 360.542 3.372 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878717 496235390 /nfs/dbraw/zinc/23/53/90/496235390.db2.gz LTDOROZUKUZTET-OALUTQOASA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CN1Cc1ccccc1 ZINC000178034908 496297630 /nfs/dbraw/zinc/29/76/30/496297630.db2.gz QBSRLDBTBSABAD-XWSHUIEDSA-N 2 1 359.558 3.128 20 0 FGADMP CCn1nc(C)c([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000162299094 496330705 /nfs/dbraw/zinc/33/07/05/496330705.db2.gz PQPHVXKUUMLHQP-AWEZNQCLSA-N 2 1 356.518 3.246 20 0 FGADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC000156819851 496340878 /nfs/dbraw/zinc/34/08/78/496340878.db2.gz GIMYWCRQRCSHSW-KRWDZBQOSA-N 2 1 371.447 3.126 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000157096030 496404894 /nfs/dbraw/zinc/40/48/94/496404894.db2.gz FKZXHXGLOMWFIP-FPOVZHCZSA-N 2 1 372.557 3.101 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000157261630 496440654 /nfs/dbraw/zinc/44/06/54/496440654.db2.gz DPWAURXDFKGFAI-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N(CC)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000157261630 496440660 /nfs/dbraw/zinc/44/06/60/496440660.db2.gz DPWAURXDFKGFAI-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175571388 496448048 /nfs/dbraw/zinc/44/80/48/496448048.db2.gz GHEPVJYECDQMIE-AWEZNQCLSA-N 2 1 354.454 3.065 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000181644057 496483954 /nfs/dbraw/zinc/48/39/54/496483954.db2.gz FSZPLQTXARXGGT-IEBWSBKVSA-N 3 1 362.537 3.103 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC000181644057 496483958 /nfs/dbraw/zinc/48/39/58/496483958.db2.gz FSZPLQTXARXGGT-IEBWSBKVSA-N 3 1 362.537 3.103 20 0 FGADMP CC[C@@]1(CO)CCC[NH+](CCCCC[N@@H+]2CCC[C@@](CC)(CO)C2)C1 ZINC000187547608 496485285 /nfs/dbraw/zinc/48/52/85/496485285.db2.gz HOMAUEJSXMHTON-NHCUHLMSSA-N 2 1 354.579 3.126 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000163282278 496492818 /nfs/dbraw/zinc/49/28/18/496492818.db2.gz OKLGWEJNJRVBAI-JKSUJKDBSA-N 2 1 351.922 3.008 20 0 FGADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000574754886 505848537 /nfs/dbraw/zinc/84/85/37/505848537.db2.gz NWZQCXAGUGJLFN-GOSISDBHSA-N 2 1 370.522 3.345 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000163425271 496514452 /nfs/dbraw/zinc/51/44/52/496514452.db2.gz WKISHLDMONYZMX-UHFFFAOYSA-N 2 1 371.569 3.320 20 0 FGADMP Cc1csc(N2CCC([NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)CC2)n1 ZINC000163467014 496519541 /nfs/dbraw/zinc/51/95/41/496519541.db2.gz NYNPSYDJOJRTNF-UHFFFAOYSA-N 2 1 371.554 3.382 20 0 FGADMP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163572498 496534051 /nfs/dbraw/zinc/53/40/51/496534051.db2.gz SKVRLXNHGPTNQQ-UHFFFAOYSA-N 2 1 350.478 3.154 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000175812955 496556352 /nfs/dbraw/zinc/55/63/52/496556352.db2.gz QFKLYDZZVYXTLM-IRXDYDNUSA-N 2 1 363.550 3.027 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000181849123 496570875 /nfs/dbraw/zinc/57/08/75/496570875.db2.gz JKTFKWWCWFUSIR-UHFFFAOYSA-N 2 1 364.559 3.039 20 0 FGADMP Ic1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000157968632 496597656 /nfs/dbraw/zinc/59/76/56/496597656.db2.gz PGHBKWKTWZKLEP-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP CC[C@H]([NH2+]CC1(N[C@@H](C)c2ccccc2)CCOCC1)c1cnn(C)c1 ZINC000153905195 496618900 /nfs/dbraw/zinc/61/89/00/496618900.db2.gz SNEUYFDNTWSTKF-PXNSSMCTSA-N 2 1 356.514 3.361 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CC3CC[NH2+]CC3)cc2)C1 ZINC000164839755 496634830 /nfs/dbraw/zinc/63/48/30/496634830.db2.gz CZWWQEDUWMFKAD-HDICACEKSA-N 2 1 357.542 3.170 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000153957384 496635364 /nfs/dbraw/zinc/63/53/64/496635364.db2.gz PAVKXWLUMUETKT-QZTJIDSGSA-N 2 1 365.562 3.408 20 0 FGADMP C[C@H](NC(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185060858 496641629 /nfs/dbraw/zinc/64/16/29/496641629.db2.gz JBFLBCNSIIQXQP-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCn2ccnc2C1 ZINC000578084517 505857707 /nfs/dbraw/zinc/85/77/07/505857707.db2.gz QZPQIMIZGWIREX-MAUKXSAKSA-N 2 1 372.900 3.052 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158236838 496657356 /nfs/dbraw/zinc/65/73/56/496657356.db2.gz OWCMPOMMEAVNPY-KGLIPLIRSA-N 2 1 373.419 3.234 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Br)c1 ZINC000173387871 496669803 /nfs/dbraw/zinc/66/98/03/496669803.db2.gz QWRGLMNUFPHUMB-HNNXBMFYSA-N 2 1 368.363 3.373 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000173427650 496688438 /nfs/dbraw/zinc/68/84/38/496688438.db2.gz SMPNXZSLEAKSQP-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000173427650 496688440 /nfs/dbraw/zinc/68/84/40/496688440.db2.gz SMPNXZSLEAKSQP-SFTDATJTSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1C ZINC000173429703 496690282 /nfs/dbraw/zinc/69/02/82/496690282.db2.gz HQZKAWSZWLCEEE-VKJFTORMSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1C ZINC000173429703 496690285 /nfs/dbraw/zinc/69/02/85/496690285.db2.gz HQZKAWSZWLCEEE-VKJFTORMSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000167546498 496702626 /nfs/dbraw/zinc/70/26/26/496702626.db2.gz BQUKQVOTBIUDBL-DBXWQHBBSA-N 2 1 357.542 3.182 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000179214642 496713909 /nfs/dbraw/zinc/71/39/09/496713909.db2.gz JEVYKSLEEOYFHE-KRWDZBQOSA-N 2 1 353.304 3.137 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000182254642 496720725 /nfs/dbraw/zinc/72/07/25/496720725.db2.gz HJUXFDIXFOCECR-NHCUHLMSSA-N 2 1 372.557 3.154 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCCC1 ZINC000182284826 496725798 /nfs/dbraw/zinc/72/57/98/496725798.db2.gz LNVFIKNLDIJZCF-UFYCRDLUSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000571986545 505862311 /nfs/dbraw/zinc/86/23/11/505862311.db2.gz WNQJDNQGJUKIEZ-UGKGYDQZSA-N 2 1 373.541 3.275 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246997329 496746977 /nfs/dbraw/zinc/74/69/77/496746977.db2.gz KNYQOTRMZBPFNF-DYXWJJEUSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246997329 496746983 /nfs/dbraw/zinc/74/69/83/496746983.db2.gz KNYQOTRMZBPFNF-DYXWJJEUSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246997329 496746990 /nfs/dbraw/zinc/74/69/90/496746990.db2.gz KNYQOTRMZBPFNF-DYXWJJEUSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000246997329 496746994 /nfs/dbraw/zinc/74/69/94/496746994.db2.gz KNYQOTRMZBPFNF-DYXWJJEUSA-N 2 1 358.574 3.392 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000194887691 496748554 /nfs/dbraw/zinc/74/85/54/496748554.db2.gz QZDBETNUWQOBJN-IEBWSBKVSA-N 2 1 363.550 3.027 20 0 FGADMP Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268697933 496761881 /nfs/dbraw/zinc/76/18/81/496761881.db2.gz ALUHIJJQMNQUDI-SFHVURJKSA-N 2 1 351.494 3.233 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761644 496777118 /nfs/dbraw/zinc/77/71/18/496777118.db2.gz OEQFXZBODTVUJE-PIPMEXSNSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761644 496777124 /nfs/dbraw/zinc/77/71/24/496777124.db2.gz OEQFXZBODTVUJE-PIPMEXSNSA-N 2 1 354.494 3.371 20 0 FGADMP c1c[nH]c([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)n1 ZINC000195000704 496786500 /nfs/dbraw/zinc/78/65/00/496786500.db2.gz BQYIAUIWPHDHSA-NRFANRHFSA-N 2 1 361.493 3.396 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803202 496790696 /nfs/dbraw/zinc/79/06/96/496790696.db2.gz BNPLESYZBTWZEM-ZIAGYGMSSA-N 2 1 360.470 3.065 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803202 496790697 /nfs/dbraw/zinc/79/06/97/496790697.db2.gz BNPLESYZBTWZEM-ZIAGYGMSSA-N 2 1 360.470 3.065 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000247183143 496800342 /nfs/dbraw/zinc/80/03/42/496800342.db2.gz ZIZFBDJKWKTNBY-JXFKEZNVSA-N 2 1 352.482 3.154 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000191533630 496801226 /nfs/dbraw/zinc/80/12/26/496801226.db2.gz IXGZSPXXWJYGTR-HSZRJFAPSA-N 2 1 373.585 3.165 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268849713 496803401 /nfs/dbraw/zinc/80/34/01/496803401.db2.gz BJLABLFJRDNHFD-AYWYSENESA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000268849713 496803404 /nfs/dbraw/zinc/80/34/04/496803404.db2.gz BJLABLFJRDNHFD-AYWYSENESA-N 2 1 357.542 3.276 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1OCC(=O)N(C)C ZINC000268856826 496805129 /nfs/dbraw/zinc/80/51/29/496805129.db2.gz ISBSLDAPTJPBGH-QFBILLFUSA-N 2 1 372.513 3.036 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000268856245 496805634 /nfs/dbraw/zinc/80/56/34/496805634.db2.gz CQFUOSKDLXQHMB-KFKAGJAMSA-N 2 1 354.498 3.478 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)cc1 ZINC000268856243 496805693 /nfs/dbraw/zinc/80/56/93/496805693.db2.gz CQFUOSKDLXQHMB-IPELMVKDSA-N 2 1 354.498 3.478 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000268863802 496807671 /nfs/dbraw/zinc/80/76/71/496807671.db2.gz DWWYZQQLVOTXFI-WLRLJWMZSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000268863802 496807675 /nfs/dbraw/zinc/80/76/75/496807675.db2.gz DWWYZQQLVOTXFI-WLRLJWMZSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1 ZINC000247322957 496835669 /nfs/dbraw/zinc/83/56/69/496835669.db2.gz LNTNPLHDYMPVPY-PBHICJAKSA-N 2 1 355.320 3.337 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247351088 496841825 /nfs/dbraw/zinc/84/18/25/496841825.db2.gz BCRQKHQDYPDZBI-CRAIPNDOSA-N 2 1 352.906 3.329 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247351088 496841832 /nfs/dbraw/zinc/84/18/32/496841832.db2.gz BCRQKHQDYPDZBI-CRAIPNDOSA-N 2 1 352.906 3.329 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247473688 496867497 /nfs/dbraw/zinc/86/74/97/496867497.db2.gz SSOIBJAZDDPKAV-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247473688 496867501 /nfs/dbraw/zinc/86/75/01/496867501.db2.gz SSOIBJAZDDPKAV-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247473688 496867507 /nfs/dbraw/zinc/86/75/07/496867507.db2.gz SSOIBJAZDDPKAV-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000269129703 496877569 /nfs/dbraw/zinc/87/75/69/496877569.db2.gz IQLDGLSKVOLMAB-LJQANCHMSA-N 2 1 369.513 3.424 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000269129703 496877575 /nfs/dbraw/zinc/87/75/75/496877575.db2.gz IQLDGLSKVOLMAB-LJQANCHMSA-N 2 1 369.513 3.424 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273730451 496887519 /nfs/dbraw/zinc/88/75/19/496887519.db2.gz QRNVCOIWZHEACY-KRWDZBQOSA-N 2 1 358.530 3.264 20 0 FGADMP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[N@H+](C4CCCC4)CC3)ccc21 ZINC000269245203 496903721 /nfs/dbraw/zinc/90/37/21/496903721.db2.gz LZNRLIFSYIPGGE-UHFFFAOYSA-N 2 1 368.525 3.081 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C[C@H]3C)CC2)[nH+]1 ZINC000247944547 496930415 /nfs/dbraw/zinc/93/04/15/496930415.db2.gz DKOOSTOFZUYZBG-GCJKJVERSA-N 2 1 364.537 3.469 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2c(Cl)cccc21 ZINC000247970507 496935680 /nfs/dbraw/zinc/93/56/80/496935680.db2.gz HGXZRJZXPYLKEG-YJBOKZPZSA-N 2 1 352.906 3.380 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981483 496938784 /nfs/dbraw/zinc/93/87/84/496938784.db2.gz MUNZTAFGWCGYOS-RHSMWYFYSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981483 496938789 /nfs/dbraw/zinc/93/87/89/496938789.db2.gz MUNZTAFGWCGYOS-RHSMWYFYSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981483 496938794 /nfs/dbraw/zinc/93/87/94/496938794.db2.gz MUNZTAFGWCGYOS-RHSMWYFYSA-N 2 1 369.431 3.450 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248058408 496948843 /nfs/dbraw/zinc/94/88/43/496948843.db2.gz ORJBFWMSXFFIND-QHAWAJNXSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121990 496956492 /nfs/dbraw/zinc/95/64/92/496956492.db2.gz NNEBNEXVCDKQRH-NJDAHSKKSA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121990 496956493 /nfs/dbraw/zinc/95/64/93/496956493.db2.gz NNEBNEXVCDKQRH-NJDAHSKKSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121990 496956496 /nfs/dbraw/zinc/95/64/96/496956496.db2.gz NNEBNEXVCDKQRH-NJDAHSKKSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@H]21 ZINC000248121990 496956498 /nfs/dbraw/zinc/95/64/98/496956498.db2.gz NNEBNEXVCDKQRH-NJDAHSKKSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000248134234 496959832 /nfs/dbraw/zinc/95/98/32/496959832.db2.gz ZUHKHAMFPNJSNU-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP NC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248157866 496965383 /nfs/dbraw/zinc/96/53/83/496965383.db2.gz RQCFUAMGQPQKBM-FGZHOGPDSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cc1 ZINC000248157866 496965389 /nfs/dbraw/zinc/96/53/89/496965389.db2.gz RQCFUAMGQPQKBM-FGZHOGPDSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)cc1 ZINC000248157866 496965393 /nfs/dbraw/zinc/96/53/93/496965393.db2.gz RQCFUAMGQPQKBM-FGZHOGPDSA-N 2 1 363.505 3.272 20 0 FGADMP NC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000248157866 496965400 /nfs/dbraw/zinc/96/54/00/496965400.db2.gz RQCFUAMGQPQKBM-FGZHOGPDSA-N 2 1 363.505 3.272 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391527 496991440 /nfs/dbraw/zinc/99/14/40/496991440.db2.gz CKEXFZUTTFGBBO-MDNUFGMLSA-N 2 1 366.553 3.470 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248397843 496994509 /nfs/dbraw/zinc/99/45/09/496994509.db2.gz IGLTUUGPVUMWHE-GUDVDZBRSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397843 496994514 /nfs/dbraw/zinc/99/45/14/496994514.db2.gz IGLTUUGPVUMWHE-GUDVDZBRSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397843 496994517 /nfs/dbraw/zinc/99/45/17/496994517.db2.gz IGLTUUGPVUMWHE-GUDVDZBRSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000248398253 496995396 /nfs/dbraw/zinc/99/53/96/496995396.db2.gz NABIZYQKTRHTBI-OEWRPIJISA-N 2 1 351.494 3.371 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)Nc1ccccc1 ZINC000248398253 496995402 /nfs/dbraw/zinc/99/54/02/496995402.db2.gz NABIZYQKTRHTBI-OEWRPIJISA-N 2 1 351.494 3.371 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000248398651 496995439 /nfs/dbraw/zinc/99/54/39/496995439.db2.gz JBKLOUHWICZRSH-YTFSRNRJSA-N 2 1 369.553 3.135 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000269730410 496996540 /nfs/dbraw/zinc/99/65/40/496996540.db2.gz YHNRKMPSZRTODC-ZWKOTPCHSA-N 2 1 369.509 3.058 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000248447713 497015066 /nfs/dbraw/zinc/01/50/66/497015066.db2.gz NOSQITMXGSLBEC-DNVCBOLYSA-N 2 1 358.457 3.252 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H]3[C@@H](CCCN3C3CC3)C2)CC1 ZINC000248563302 497041278 /nfs/dbraw/zinc/04/12/78/497041278.db2.gz NUXKTRBALRCMTD-ICSRJNTNSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248563302 497041283 /nfs/dbraw/zinc/04/12/83/497041283.db2.gz NUXKTRBALRCMTD-ICSRJNTNSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000248563302 497041287 /nfs/dbraw/zinc/04/12/87/497041287.db2.gz NUXKTRBALRCMTD-ICSRJNTNSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000248563302 497041288 /nfs/dbraw/zinc/04/12/88/497041288.db2.gz NUXKTRBALRCMTD-ICSRJNTNSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)(C)C(=O)N1CCC(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000248563302 497041292 /nfs/dbraw/zinc/04/12/92/497041292.db2.gz NUXKTRBALRCMTD-ICSRJNTNSA-N 2 1 361.574 3.220 20 0 FGADMP Cn1c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nnc1-c1ccc(Cl)cc1 ZINC000248680735 497079396 /nfs/dbraw/zinc/07/93/96/497079396.db2.gz FIWIMGPEAFFNSX-DOTOQJQBSA-N 2 1 359.905 3.052 20 0 FGADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390123 497098469 /nfs/dbraw/zinc/09/84/69/497098469.db2.gz ITUBEMIFWIHMPM-TZIWHRDSSA-N 2 1 353.510 3.004 20 0 FGADMP COc1cccc2c1CC[C@@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)C2 ZINC000192445386 497117031 /nfs/dbraw/zinc/11/70/31/497117031.db2.gz YJAXGCVXGANQNM-LJQANCHMSA-N 2 1 358.526 3.177 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000236656362 497128753 /nfs/dbraw/zinc/12/87/53/497128753.db2.gz JVHHXNAUPSUKOE-NRFANRHFSA-N 2 1 351.494 3.030 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](CC)N2CCCC2)CC1 ZINC000236801523 497147603 /nfs/dbraw/zinc/14/76/03/497147603.db2.gz MHMGUHCXOBNVBH-NRFANRHFSA-N 2 1 358.574 3.183 20 0 FGADMP FC(F)C(F)(F)COCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000278551041 497151176 /nfs/dbraw/zinc/15/11/76/497151176.db2.gz VTYSFYJPMQMZKS-UHFFFAOYSA-N 2 1 362.411 3.200 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000249044468 497153890 /nfs/dbraw/zinc/15/38/90/497153890.db2.gz VSGAQPBJBAJZIP-MRWXXAKJSA-N 2 1 371.569 3.271 20 0 FGADMP C[C@H]([NH2+]CCc1cn2c(n1)SCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763066 497159738 /nfs/dbraw/zinc/15/97/38/497159738.db2.gz KQRDDBCHZZVSJI-FUHWJXTLSA-N 2 1 356.539 3.032 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COCc1cccs1 ZINC000274786506 497165622 /nfs/dbraw/zinc/16/56/22/497165622.db2.gz AYNSXZVIMHZJKB-LMNJBCLMSA-N 2 1 374.550 3.126 20 0 FGADMP CC(C)Oc1cc(C[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)ccn1 ZINC000192777352 497211611 /nfs/dbraw/zinc/21/16/11/497211611.db2.gz YHRKRJAYQUGOFV-UHFFFAOYSA-N 2 1 374.573 3.249 20 0 FGADMP CC(C)c1cc(N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000569263964 505892631 /nfs/dbraw/zinc/89/26/31/505892631.db2.gz RRERIHJMJJMOJS-GOSISDBHSA-N 2 1 368.529 3.019 20 0 FGADMP CC(C)c1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000569263964 505892635 /nfs/dbraw/zinc/89/26/35/505892635.db2.gz RRERIHJMJJMOJS-GOSISDBHSA-N 2 1 368.529 3.019 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cncc(F)c2)CC1 ZINC000275059058 497229408 /nfs/dbraw/zinc/22/94/08/497229408.db2.gz OTORAFMJWUWRBX-HNNXBMFYSA-N 2 1 360.452 3.353 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000237390776 497229930 /nfs/dbraw/zinc/22/99/30/497229930.db2.gz RDGNLNMCWOLLSI-WIYYLYMNSA-N 2 1 351.494 3.027 20 0 FGADMP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237396011 497230798 /nfs/dbraw/zinc/23/07/98/497230798.db2.gz NOMLEAVQFRNQKY-PAMCTJKJSA-N 2 1 369.553 3.324 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000192926881 497249039 /nfs/dbraw/zinc/24/90/39/497249039.db2.gz YLUQSTKJLNDUCM-JOCHJYFZSA-N 2 1 364.537 3.158 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237524836 497249594 /nfs/dbraw/zinc/24/95/94/497249594.db2.gz URXZFZLCYLCEEJ-KRWDZBQOSA-N 2 1 351.494 3.450 20 0 FGADMP COCCOc1cccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192932221 497250548 /nfs/dbraw/zinc/25/05/48/497250548.db2.gz LDIQEAWSIGJTJY-OAQYLSRUSA-N 2 1 354.494 3.324 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000237587658 497259603 /nfs/dbraw/zinc/25/96/03/497259603.db2.gz LSSNWVPQLIDJLZ-JRGCBEDISA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237588791 497259670 /nfs/dbraw/zinc/25/96/70/497259670.db2.gz VANCCOSGKCMRJN-WIYYLYMNSA-N 2 1 351.494 3.057 20 0 FGADMP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000266121830 497261258 /nfs/dbraw/zinc/26/12/58/497261258.db2.gz ABNNQWUKISKBDN-UHFFFAOYSA-N 2 1 365.481 3.057 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291333 497265020 /nfs/dbraw/zinc/26/50/20/497265020.db2.gz SQVCAGFEOFZCAY-SFTDATJTSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291333 497265025 /nfs/dbraw/zinc/26/50/25/497265025.db2.gz SQVCAGFEOFZCAY-SFTDATJTSA-N 2 1 360.542 3.179 20 0 FGADMP c1csc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000271248421 497302475 /nfs/dbraw/zinc/30/24/75/497302475.db2.gz GVDQVPYGHYTBHQ-HXUWFJFHSA-N 2 1 355.551 3.183 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1)CC2 ZINC000252538675 497311646 /nfs/dbraw/zinc/31/16/46/497311646.db2.gz NEHBVUDIPJKVSO-OTWHNJEPSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000252538675 497311651 /nfs/dbraw/zinc/31/16/51/497311651.db2.gz NEHBVUDIPJKVSO-OTWHNJEPSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)CC2 ZINC000252538675 497311653 /nfs/dbraw/zinc/31/16/53/497311653.db2.gz NEHBVUDIPJKVSO-OTWHNJEPSA-N 2 1 364.578 3.154 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317817 /nfs/dbraw/zinc/31/78/17/497317817.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317820 /nfs/dbraw/zinc/31/78/20/497317820.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317826 /nfs/dbraw/zinc/31/78/26/497317826.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317831 /nfs/dbraw/zinc/31/78/31/497317831.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@H](C)C1 ZINC000252695970 497317837 /nfs/dbraw/zinc/31/78/37/497317837.db2.gz AZVFMPRMALJRAY-YXPKMTABSA-N 2 1 373.585 3.234 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000238002102 497326102 /nfs/dbraw/zinc/32/61/02/497326102.db2.gz SBIQYXJCPUNRCG-HXUWFJFHSA-N 2 1 355.526 3.006 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000569298089 505899499 /nfs/dbraw/zinc/89/94/99/505899499.db2.gz RAIMPKQHXMERSG-ROUUACIJSA-N 2 1 360.546 3.240 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245202675 497376606 /nfs/dbraw/zinc/37/66/06/497376606.db2.gz VMLNAAAXGKXYOH-XDNAFOTISA-N 2 1 363.571 3.338 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245202675 497376610 /nfs/dbraw/zinc/37/66/10/497376610.db2.gz VMLNAAAXGKXYOH-XDNAFOTISA-N 2 1 363.571 3.338 20 0 FGADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607893 497380305 /nfs/dbraw/zinc/38/03/05/497380305.db2.gz FUZYLNJWLNMMBN-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000255961339 497381791 /nfs/dbraw/zinc/38/17/91/497381791.db2.gz XNAXYLJFVZWENL-QUCCMNQESA-N 2 1 351.579 3.467 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000245428109 497400738 /nfs/dbraw/zinc/40/07/38/497400738.db2.gz IIXLNEVKIQAZAU-NLWGTHIKSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000245428109 497400741 /nfs/dbraw/zinc/40/07/41/497400741.db2.gz IIXLNEVKIQAZAU-NLWGTHIKSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@@]([NH3+])(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000581073397 505904573 /nfs/dbraw/zinc/90/45/73/505904573.db2.gz HKMWBZXBBCRYTB-QHCPKHFHSA-N 2 1 365.521 3.028 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444411 497409937 /nfs/dbraw/zinc/40/99/37/497409937.db2.gz XZWUHUPAXCQJNU-DOTOQJQBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444411 497409943 /nfs/dbraw/zinc/40/99/43/497409943.db2.gz XZWUHUPAXCQJNU-DOTOQJQBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444411 497409948 /nfs/dbraw/zinc/40/99/48/497409948.db2.gz XZWUHUPAXCQJNU-DOTOQJQBSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444411 497409955 /nfs/dbraw/zinc/40/99/55/497409955.db2.gz XZWUHUPAXCQJNU-DOTOQJQBSA-N 2 1 374.447 3.109 20 0 FGADMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000261634860 497423979 /nfs/dbraw/zinc/42/39/79/497423979.db2.gz BMMBHWVXADKXKX-IBGZPJMESA-N 2 1 353.441 3.075 20 0 FGADMP C[C@@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261651687 497427090 /nfs/dbraw/zinc/42/70/90/497427090.db2.gz YIVBCEOZVSIFDL-QUCCMNQESA-N 2 1 357.542 3.313 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)cc1)[C@H]1CC[C@H](O)CC1 ZINC000275787503 497431208 /nfs/dbraw/zinc/43/12/08/497431208.db2.gz CNDJFTTUYCBXMB-CHDDOINTSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000275814956 497437784 /nfs/dbraw/zinc/43/77/84/497437784.db2.gz CZBTZUGGGYZAAZ-UYAOXDASSA-N 2 1 367.541 3.187 20 0 FGADMP C[NH2+][C@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000261722348 497439617 /nfs/dbraw/zinc/43/96/17/497439617.db2.gz LRUMVZIHVNHENW-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)C1CC[NH+](C)CC1 ZINC000245540169 497445650 /nfs/dbraw/zinc/44/56/50/497445650.db2.gz LYOIUKIAOPGRPI-GOSISDBHSA-N 2 1 367.541 3.320 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCC[C@@H](c2ccn[nH]2)C1)C1CC[NH+](C)CC1 ZINC000245540169 497445653 /nfs/dbraw/zinc/44/56/53/497445653.db2.gz LYOIUKIAOPGRPI-GOSISDBHSA-N 2 1 367.541 3.320 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H](c2ccn[nH]2)C1)C1CC[NH+](C)CC1 ZINC000245540169 497445658 /nfs/dbraw/zinc/44/56/58/497445658.db2.gz LYOIUKIAOPGRPI-GOSISDBHSA-N 2 1 367.541 3.320 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000190350753 497446056 /nfs/dbraw/zinc/44/60/56/497446056.db2.gz WAWAKIPVLNORCK-UHFFFAOYSA-N 2 1 373.522 3.117 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271875089 497476881 /nfs/dbraw/zinc/47/68/81/497476881.db2.gz NYLYGDIWRCXBNY-CYBMUJFWSA-N 2 1 355.404 3.274 20 0 FGADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000262048208 497498726 /nfs/dbraw/zinc/49/87/26/497498726.db2.gz IDALRFRHYVHBRC-AWEZNQCLSA-N 2 1 369.431 3.053 20 0 FGADMP C[C@]1(C[N@H+]2CCC[C@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080892 497505389 /nfs/dbraw/zinc/50/53/89/497505389.db2.gz TTZSGCKVBILMTH-IRXDYDNUSA-N 2 1 352.320 3.325 20 0 FGADMP c1ccc(Sc2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262123449 497512453 /nfs/dbraw/zinc/51/24/53/497512453.db2.gz MMVIJPUXDWFDGN-IBGZPJMESA-N 2 1 353.535 3.317 20 0 FGADMP CC(C)(O)[C@@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000245752721 497527890 /nfs/dbraw/zinc/52/78/90/497527890.db2.gz GYVFSSBGBALMIN-PMACEKPBSA-N 2 1 360.542 3.157 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000262337560 497541541 /nfs/dbraw/zinc/54/15/41/497541541.db2.gz XMHKLLUWOUOKFO-SFHVURJKSA-N 2 1 371.447 3.257 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000262337560 497541545 /nfs/dbraw/zinc/54/15/45/497541545.db2.gz XMHKLLUWOUOKFO-SFHVURJKSA-N 2 1 371.447 3.257 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccc(Br)cc3)C2)CC1 ZINC000193995454 497542709 /nfs/dbraw/zinc/54/27/09/497542709.db2.gz HAWFTXXQIFTPTL-UHFFFAOYSA-N 2 1 367.331 3.396 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194022474 497550242 /nfs/dbraw/zinc/55/02/42/497550242.db2.gz XTSJLGMJHIWRGA-GXRSIYKFSA-N 2 1 354.538 3.488 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cs1 ZINC000194035843 497553581 /nfs/dbraw/zinc/55/35/81/497553581.db2.gz JPYDWCMIJOTVCO-TZMCWYRMSA-N 2 1 361.349 3.398 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441533 497552622 /nfs/dbraw/zinc/55/26/22/497552622.db2.gz CJMSDOZIBBWUJZ-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000267441533 497552628 /nfs/dbraw/zinc/55/26/28/497552628.db2.gz CJMSDOZIBBWUJZ-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)cs1 ZINC000194028745 497552793 /nfs/dbraw/zinc/55/27/93/497552793.db2.gz KJXZYMCZWLELIL-CYBMUJFWSA-N 2 1 360.365 3.189 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cccs1)c1ccccc1 ZINC000245873712 497556331 /nfs/dbraw/zinc/55/63/31/497556331.db2.gz AGSGFORHWGVTLT-ZWKOTPCHSA-N 2 1 357.523 3.304 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206560 497564462 /nfs/dbraw/zinc/56/44/62/497564462.db2.gz PLQPETLNVDZCHW-FXAWDEMLSA-N 2 1 372.534 3.090 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)[nH+]c1 ZINC000194092703 497571272 /nfs/dbraw/zinc/57/12/72/497571272.db2.gz AAWIFJMCQUDPCQ-UHFFFAOYSA-N 2 1 358.530 3.032 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000276453239 497578346 /nfs/dbraw/zinc/57/83/46/497578346.db2.gz LXJFZBUIBZDMHA-SFTDATJTSA-N 2 1 366.509 3.358 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262629468 497587974 /nfs/dbraw/zinc/58/79/74/497587974.db2.gz DLWSUVZNWYFIJR-MBDNFAEBSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000246053897 497605784 /nfs/dbraw/zinc/60/57/84/497605784.db2.gz CIRXHBDXBJZFKY-SJORKVTESA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246053897 497605791 /nfs/dbraw/zinc/60/57/91/497605791.db2.gz CIRXHBDXBJZFKY-SJORKVTESA-N 2 1 369.513 3.273 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccsc1 ZINC000246128634 497631027 /nfs/dbraw/zinc/63/10/27/497631027.db2.gz IVMUIYNJFYANIB-CGTJXYLNSA-N 2 1 366.575 3.255 20 0 FGADMP Brc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000268144586 497686347 /nfs/dbraw/zinc/68/63/47/497686347.db2.gz QLYRXNKTUQVXHP-XYJFISCASA-N 2 1 364.331 3.244 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246296606 497687308 /nfs/dbraw/zinc/68/73/08/497687308.db2.gz ACOBVYWYUKEZFT-ZCNNSNEGSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000246296606 497687310 /nfs/dbraw/zinc/68/73/10/497687310.db2.gz ACOBVYWYUKEZFT-ZCNNSNEGSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000246296606 497687311 /nfs/dbraw/zinc/68/73/11/497687311.db2.gz ACOBVYWYUKEZFT-ZCNNSNEGSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000263046130 497690733 /nfs/dbraw/zinc/69/07/33/497690733.db2.gz UBIRJIAMXPDKOT-OEWRPIJISA-N 2 1 357.542 3.039 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246347998 497703522 /nfs/dbraw/zinc/70/35/22/497703522.db2.gz JOSYUAHWYBHFJM-AQNXPRMDSA-N 2 1 364.578 3.157 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272704252 497707888 /nfs/dbraw/zinc/70/78/88/497707888.db2.gz ZVHVAFRUBWKGRW-AVRDEDQJSA-N 2 1 365.521 3.437 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705722 497707981 /nfs/dbraw/zinc/70/79/81/497707981.db2.gz GMUJLTCWMLYYCA-YJBOKZPZSA-N 2 1 364.559 3.081 20 0 FGADMP CC[N@H+](C)Cc1cccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000194663339 497732493 /nfs/dbraw/zinc/73/24/93/497732493.db2.gz BDERMIZPQJONDV-UHFFFAOYSA-N 2 1 369.513 3.143 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000194663339 497732500 /nfs/dbraw/zinc/73/25/00/497732500.db2.gz BDERMIZPQJONDV-UHFFFAOYSA-N 2 1 369.513 3.143 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000246451405 497738321 /nfs/dbraw/zinc/73/83/21/497738321.db2.gz OIFQGLDCBZDVBZ-HOJAQTOUSA-N 2 1 366.594 3.259 20 0 FGADMP CC1(C)C[N@H+](C2(CNC(=O)C[C@H]([NH3+])c3ccccc3)CCCCC2)CCO1 ZINC000263325192 497758150 /nfs/dbraw/zinc/75/81/50/497758150.db2.gz KDNJBFIREUPTQW-IBGZPJMESA-N 2 1 373.541 3.006 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750709 497759467 /nfs/dbraw/zinc/75/94/67/497759467.db2.gz URCDHHZUKIOWMI-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000246583938 497782363 /nfs/dbraw/zinc/78/23/63/497782363.db2.gz UKGPJZURCCXTCV-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000246583938 497782367 /nfs/dbraw/zinc/78/23/67/497782367.db2.gz UKGPJZURCCXTCV-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277226812 497782406 /nfs/dbraw/zinc/78/24/06/497782406.db2.gz YKFOSLFLWJXZHA-MRXNPFEDSA-N 2 1 362.481 3.290 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[NH+]2C)c1 ZINC000194834071 497786063 /nfs/dbraw/zinc/78/60/63/497786063.db2.gz NAVWTBBQLQBBFP-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000194834071 497786068 /nfs/dbraw/zinc/78/60/68/497786068.db2.gz NAVWTBBQLQBBFP-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000194834071 497786073 /nfs/dbraw/zinc/78/60/73/497786073.db2.gz NAVWTBBQLQBBFP-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246730831 497805761 /nfs/dbraw/zinc/80/57/61/497805761.db2.gz ORTOAKDGNMCEEP-RDJZCZTQSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246730831 497805762 /nfs/dbraw/zinc/80/57/62/497805762.db2.gz ORTOAKDGNMCEEP-RDJZCZTQSA-N 2 1 358.448 3.273 20 0 FGADMP CC(C)(C[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000295839870 497826035 /nfs/dbraw/zinc/82/60/35/497826035.db2.gz AKJBFRAXNMUPAQ-FQEVSTJZSA-N 2 1 371.569 3.307 20 0 FGADMP CC(C)(C[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000295839870 497826040 /nfs/dbraw/zinc/82/60/40/497826040.db2.gz AKJBFRAXNMUPAQ-FQEVSTJZSA-N 2 1 371.569 3.307 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2coc(C[NH3+])c2)[C@@H]1c1cccc(Cl)c1 ZINC000364218686 497845828 /nfs/dbraw/zinc/84/58/28/497845828.db2.gz XBJYPFVKQAUTKS-KDOFPFPSSA-N 2 1 361.873 3.205 20 0 FGADMP Cc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000364249544 497861494 /nfs/dbraw/zinc/86/14/94/497861494.db2.gz GXVWMNFUQFISMQ-VQIMIIECSA-N 2 1 354.502 3.056 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c2nccn21 ZINC000334108255 497874719 /nfs/dbraw/zinc/87/47/19/497874719.db2.gz ZSKQEPXUJUMUMO-OWSLCNJRSA-N 2 1 359.518 3.185 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)ccc1-n1cncn1 ZINC000364296397 497885284 /nfs/dbraw/zinc/88/52/84/497885284.db2.gz BWUBIUZTEQNGLV-UNMCSNQZSA-N 2 1 361.493 3.358 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169410 497907503 /nfs/dbraw/zinc/90/75/03/497907503.db2.gz PLIHPINDGMWOML-QGZVFWFLSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169410 497907505 /nfs/dbraw/zinc/90/75/05/497907505.db2.gz PLIHPINDGMWOML-QGZVFWFLSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292169410 497907507 /nfs/dbraw/zinc/90/75/07/497907507.db2.gz PLIHPINDGMWOML-QGZVFWFLSA-N 2 1 355.404 3.062 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000572350340 505947606 /nfs/dbraw/zinc/94/76/06/505947606.db2.gz DKNMXYFJIZZMBO-CTNGQTDRSA-N 2 1 352.526 3.484 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000572350340 505947607 /nfs/dbraw/zinc/94/76/07/505947607.db2.gz DKNMXYFJIZZMBO-CTNGQTDRSA-N 2 1 352.526 3.484 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208693 497922349 /nfs/dbraw/zinc/92/23/49/497922349.db2.gz TUBIYEHYYIEFAG-QGZVFWFLSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208693 497922353 /nfs/dbraw/zinc/92/23/53/497922353.db2.gz TUBIYEHYYIEFAG-QGZVFWFLSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C2)C1 ZINC000292208693 497922360 /nfs/dbraw/zinc/92/23/60/497922360.db2.gz TUBIYEHYYIEFAG-QGZVFWFLSA-N 2 1 356.297 3.350 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289088569 498010441 /nfs/dbraw/zinc/01/04/41/498010441.db2.gz OPAKFXKCSKSEDF-WCRBZPEASA-N 2 1 372.557 3.295 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289191555 498053753 /nfs/dbraw/zinc/05/37/53/498053753.db2.gz ZUHJSRGXNAXYCG-WCRBZPEASA-N 2 1 372.557 3.295 20 0 FGADMP C[N@H+](C[C@H](O)CCc1ccccc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364638300 498062690 /nfs/dbraw/zinc/06/26/90/498062690.db2.gz FKLJOVBBDMBGTH-HSZRJFAPSA-N 2 1 367.537 3.014 20 0 FGADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000364638300 498062692 /nfs/dbraw/zinc/06/26/92/498062692.db2.gz FKLJOVBBDMBGTH-HSZRJFAPSA-N 2 1 367.537 3.014 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(S(C)(=O)=O)CCCC2)cc1 ZINC000285521238 498115724 /nfs/dbraw/zinc/11/57/24/498115724.db2.gz BWBGJULTZPHAAV-OAHLLOKOSA-N 2 1 361.511 3.189 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000572486952 505980966 /nfs/dbraw/zinc/98/09/66/505980966.db2.gz QMLJUVFSONDCEB-NQIIRXRSSA-N 2 1 357.542 3.232 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572526046 505989314 /nfs/dbraw/zinc/98/93/14/505989314.db2.gz YHKJPKXOJYWVJL-ROUUACIJSA-N 2 1 365.468 3.266 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000572526046 505989317 /nfs/dbraw/zinc/98/93/17/505989317.db2.gz YHKJPKXOJYWVJL-ROUUACIJSA-N 2 1 365.468 3.266 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578652728 505989991 /nfs/dbraw/zinc/98/99/91/505989991.db2.gz VSVGIAKLTFASCA-QLFBSQMISA-N 2 1 369.431 3.354 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccc(Cl)c1 ZINC000364853525 498174578 /nfs/dbraw/zinc/17/45/78/498174578.db2.gz ZVIXKSWSHXQPNP-DJIMGWMZSA-N 2 1 351.922 3.213 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000364948171 498223724 /nfs/dbraw/zinc/22/37/24/498223724.db2.gz XKDPFFATUVZGDG-SFHVURJKSA-N 2 1 350.470 3.246 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000364948171 498223730 /nfs/dbraw/zinc/22/37/30/498223730.db2.gz XKDPFFATUVZGDG-SFHVURJKSA-N 2 1 350.470 3.246 20 0 FGADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738024 498245589 /nfs/dbraw/zinc/24/55/89/498245589.db2.gz CHUHWWILCYLUEL-SJCJKPOMSA-N 2 1 351.397 3.276 20 0 FGADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738024 498245593 /nfs/dbraw/zinc/24/55/93/498245593.db2.gz CHUHWWILCYLUEL-SJCJKPOMSA-N 2 1 351.397 3.276 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)c1 ZINC000360342289 498266699 /nfs/dbraw/zinc/26/66/99/498266699.db2.gz IWMXPKQXKDCVGC-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000360342289 498266704 /nfs/dbraw/zinc/26/67/04/498266704.db2.gz IWMXPKQXKDCVGC-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CCC([N@H+]3CCC[C@H]3C)CC2)c1 ZINC000360342289 498266711 /nfs/dbraw/zinc/26/67/11/498266711.db2.gz IWMXPKQXKDCVGC-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000360355287 498267514 /nfs/dbraw/zinc/26/75/14/498267514.db2.gz OSDZQJUMGNSKRC-AEFFLSMTSA-N 2 1 360.546 3.340 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@H+]1C ZINC000289763516 498281850 /nfs/dbraw/zinc/28/18/50/498281850.db2.gz LTLPJZYFRPAZDL-DOMZBBRYSA-N 2 1 368.403 3.414 20 0 FGADMP CN(C(=O)c1ccc(C2CCC2)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365087972 498290739 /nfs/dbraw/zinc/29/07/39/498290739.db2.gz ZLSHBHFLLWZADJ-OAQYLSRUSA-N 2 1 355.526 3.195 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789709 498293948 /nfs/dbraw/zinc/29/39/48/498293948.db2.gz NFBNFYVZZZUUGH-CEXWTWQISA-N 2 1 356.539 3.279 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000365190627 498343334 /nfs/dbraw/zinc/34/33/34/498343334.db2.gz IAKFSAGAZZUHJZ-MJGOQNOKSA-N 2 1 360.889 3.187 20 0 FGADMP Cc1cnn([C@H]2CC[NH+](CCCCC[N@@H+]3CC[C@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903338 498346046 /nfs/dbraw/zinc/34/60/46/498346046.db2.gz NNZJDZJIZISBGE-SFTDATJTSA-N 2 1 370.545 3.061 20 0 FGADMP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365204410 498350643 /nfs/dbraw/zinc/35/06/43/498350643.db2.gz QGVUVHCIPMVWSW-WIYYLYMNSA-N 2 1 358.526 3.420 20 0 FGADMP CN(C)c1ncc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000361154241 498351290 /nfs/dbraw/zinc/35/12/90/498351290.db2.gz OAKDXROINAJGAR-FQEVSTJZSA-N 2 1 353.514 3.029 20 0 FGADMP CC(C)c1nccn1CCC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000361187854 498357244 /nfs/dbraw/zinc/35/72/44/498357244.db2.gz BJJAVZBLODZCCT-IEBWSBKVSA-N 2 1 358.461 3.097 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240278 498363179 /nfs/dbraw/zinc/36/31/79/498363179.db2.gz HOASYDPZJGZDMC-KNQAVFIVSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240278 498363187 /nfs/dbraw/zinc/36/31/87/498363187.db2.gz HOASYDPZJGZDMC-KNQAVFIVSA-N 2 1 360.542 3.320 20 0 FGADMP Cc1ccccc1NC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282032524 498365412 /nfs/dbraw/zinc/36/54/12/498365412.db2.gz LAMJPCHPXDKPEB-KRWDZBQOSA-N 2 1 352.482 3.346 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000575874103 506023736 /nfs/dbraw/zinc/02/37/36/506023736.db2.gz OXFUYYWBPXXMPZ-SJORKVTESA-N 2 1 364.530 3.034 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1OC ZINC000575874103 506023740 /nfs/dbraw/zinc/02/37/40/506023740.db2.gz OXFUYYWBPXXMPZ-SJORKVTESA-N 2 1 364.530 3.034 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578806400 506025280 /nfs/dbraw/zinc/02/52/80/506025280.db2.gz OPXSPOLXWYGATM-FBBABVLZSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885423 506026090 /nfs/dbraw/zinc/02/60/90/506026090.db2.gz NRZDQFBKKIODQE-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575885423 506026093 /nfs/dbraw/zinc/02/60/93/506026093.db2.gz NRZDQFBKKIODQE-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575885423 506026096 /nfs/dbraw/zinc/02/60/96/506026096.db2.gz NRZDQFBKKIODQE-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000575897664 506028670 /nfs/dbraw/zinc/02/86/70/506028670.db2.gz CQARHLHAXVCNIE-XMSQKQJNSA-N 2 1 372.557 3.250 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000361718535 498422512 /nfs/dbraw/zinc/42/25/12/498422512.db2.gz OQWHVVMIUZYFSB-WDSOQIARSA-N 2 1 354.498 3.334 20 0 FGADMP C(CCC[N@H+]1CC[C@@H]([C@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748324 498424425 /nfs/dbraw/zinc/42/44/25/498424425.db2.gz BIIPOELOALPYDF-ZDNVTZCJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361748324 498424433 /nfs/dbraw/zinc/42/44/33/498424433.db2.gz BIIPOELOALPYDF-ZDNVTZCJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361748324 498424439 /nfs/dbraw/zinc/42/44/39/498424439.db2.gz BIIPOELOALPYDF-ZDNVTZCJSA-N 2 1 364.574 3.264 20 0 FGADMP CC(C)(C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000578862834 506039603 /nfs/dbraw/zinc/03/96/03/506039603.db2.gz AGKUHXJBVACRFI-OAQYLSRUSA-N 2 1 365.521 3.447 20 0 FGADMP Cc1cnccc1OC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000575947252 506038870 /nfs/dbraw/zinc/03/88/70/506038870.db2.gz CKWBPHKBPCWZBL-FUHWJXTLSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000575947252 506038875 /nfs/dbraw/zinc/03/88/75/506038875.db2.gz CKWBPHKBPCWZBL-FUHWJXTLSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)Cc3ccc(O)cc3)CC2)oc1C ZINC000293772043 498482638 /nfs/dbraw/zinc/48/26/38/498482638.db2.gz ZZYHKTRFNIPZLH-HNNXBMFYSA-N 2 1 357.498 3.430 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cccn3C)CC2)c1C ZINC000290366317 498525600 /nfs/dbraw/zinc/52/56/00/498525600.db2.gz HEALRTXUQJGIDK-UHFFFAOYSA-N 2 1 356.514 3.142 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cccn3C)CC2)c1C ZINC000290366317 498525607 /nfs/dbraw/zinc/52/56/07/498525607.db2.gz HEALRTXUQJGIDK-UHFFFAOYSA-N 2 1 356.514 3.142 20 0 FGADMP C[C@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+](C2CCC2)C1 ZINC000569935821 506051845 /nfs/dbraw/zinc/05/18/45/506051845.db2.gz LOEZMEDWOVZBNZ-QGZVFWFLSA-N 2 1 364.493 3.194 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000294116260 498594243 /nfs/dbraw/zinc/59/42/43/498594243.db2.gz GEYLFVAYONFMGX-QGZVFWFLSA-N 2 1 373.541 3.496 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000581809428 506067250 /nfs/dbraw/zinc/06/72/50/506067250.db2.gz KMIOSVNXYHIQDZ-UHFFFAOYSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130643 498672994 /nfs/dbraw/zinc/67/29/94/498672994.db2.gz PZNSEVRUTUIQSQ-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977444 498718685 /nfs/dbraw/zinc/71/86/85/498718685.db2.gz HDGYQHGXAMQSSM-QHCPKHFHSA-N 2 1 371.569 3.085 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977444 498718689 /nfs/dbraw/zinc/71/86/89/498718689.db2.gz HDGYQHGXAMQSSM-QHCPKHFHSA-N 2 1 371.569 3.085 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000363297791 498751010 /nfs/dbraw/zinc/75/10/10/498751010.db2.gz YRWPMEUCBXFABY-HDICACEKSA-N 2 1 372.557 3.091 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccsc1 ZINC000294652082 498762370 /nfs/dbraw/zinc/76/23/70/498762370.db2.gz YNIQFPNJFKXAIZ-SFHVURJKSA-N 2 1 369.494 3.142 20 0 FGADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000291076421 498783638 /nfs/dbraw/zinc/78/36/38/498783638.db2.gz FYKGYEYGKJQZNW-GOSISDBHSA-N 2 1 357.464 3.166 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937849 506094825 /nfs/dbraw/zinc/09/48/25/506094825.db2.gz YKACNDAUIOKBAF-BDTNDASRSA-N 2 1 371.569 3.165 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cn(C)nc1C(F)F ZINC000291230123 498853500 /nfs/dbraw/zinc/85/35/00/498853500.db2.gz PSKLOMFHTLVOJA-UHFFFAOYSA-N 2 1 366.456 3.368 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H]1CCCc2ccccc21 ZINC000366297023 498863817 /nfs/dbraw/zinc/86/38/17/498863817.db2.gz XEIDVDDLFNSXRN-OAQYLSRUSA-N 2 1 367.541 3.038 20 0 FGADMP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1cccs1 ZINC000366295083 498863894 /nfs/dbraw/zinc/86/38/94/498863894.db2.gz JCDLAXLRXZZXIA-KRWDZBQOSA-N 2 1 361.559 3.173 20 0 FGADMP CCOC(=O)CC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000287828728 498876875 /nfs/dbraw/zinc/87/68/75/498876875.db2.gz PZNNHBWAPPBYOT-IBGZPJMESA-N 2 1 361.530 3.205 20 0 FGADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000287828728 498876879 /nfs/dbraw/zinc/87/68/79/498876879.db2.gz PZNNHBWAPPBYOT-IBGZPJMESA-N 2 1 361.530 3.205 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000287828728 498876889 /nfs/dbraw/zinc/87/68/89/498876889.db2.gz PZNNHBWAPPBYOT-IBGZPJMESA-N 2 1 361.530 3.205 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000287828728 498876884 /nfs/dbraw/zinc/87/68/84/498876884.db2.gz PZNNHBWAPPBYOT-IBGZPJMESA-N 2 1 361.530 3.205 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295020757 498881934 /nfs/dbraw/zinc/88/19/34/498881934.db2.gz NEUWJLZGPYQCFW-CCNLRDMRSA-N 2 1 363.933 3.292 20 0 FGADMP C[C@@H]([NH+](C)Cc1cc(C[N@H+](C)[C@@H](C)C(C)(C)O)ccc1F)C(C)(C)O ZINC000295091962 498906576 /nfs/dbraw/zinc/90/65/76/498906576.db2.gz FJTFAYAOTWRWNN-LSDHHAIUSA-N 2 1 354.510 3.008 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000363646759 498921661 /nfs/dbraw/zinc/92/16/61/498921661.db2.gz OGHIHOUXBSCHHT-UHFFFAOYSA-N 2 1 355.526 3.373 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000573103046 506120203 /nfs/dbraw/zinc/12/02/03/506120203.db2.gz RGASSJYETOXGFG-QGZVFWFLSA-N 2 1 367.493 3.161 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000576296634 506123950 /nfs/dbraw/zinc/12/39/50/506123950.db2.gz ZCDYWBMADNDOLI-HSALFYBXSA-N 2 1 359.558 3.369 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)C1 ZINC000576296634 506123952 /nfs/dbraw/zinc/12/39/52/506123952.db2.gz ZCDYWBMADNDOLI-HSALFYBXSA-N 2 1 359.558 3.369 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280254 499081843 /nfs/dbraw/zinc/08/18/43/499081843.db2.gz XXAPKYVEQZQRMW-XZOQPEGZSA-N 2 1 371.569 3.085 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279093 506131570 /nfs/dbraw/zinc/13/15/70/506131570.db2.gz FHPIADBECBPRIJ-VWPQPMDRSA-N 2 1 356.510 3.111 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279093 506131575 /nfs/dbraw/zinc/13/15/75/506131575.db2.gz FHPIADBECBPRIJ-VWPQPMDRSA-N 2 1 356.510 3.111 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000364051641 499100748 /nfs/dbraw/zinc/10/07/48/499100748.db2.gz KUEWVQNPEOMOOQ-AEFFLSMTSA-N 2 1 366.575 3.114 20 0 FGADMP CN(C(=O)c1ccc(OC(C)(C)C)cc1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000364175085 499127552 /nfs/dbraw/zinc/12/75/52/499127552.db2.gz HJHPORNUQIUHPO-LJQANCHMSA-N 2 1 373.541 3.104 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071755 499143636 /nfs/dbraw/zinc/14/36/36/499143636.db2.gz CLPDRQPWJHGOLU-NFBKMPQASA-N 2 1 371.569 3.226 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000367071755 499143637 /nfs/dbraw/zinc/14/36/37/499143637.db2.gz CLPDRQPWJHGOLU-NFBKMPQASA-N 2 1 371.569 3.226 20 0 FGADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000367092756 499147573 /nfs/dbraw/zinc/14/75/73/499147573.db2.gz HEJPBTXLDYDAQM-MJGOQNOKSA-N 2 1 351.560 3.458 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)C12CCOCC2 ZINC000369898587 499148013 /nfs/dbraw/zinc/14/80/13/499148013.db2.gz SCPGNPIJNNSYSR-KANFNMMFSA-N 2 1 364.555 3.305 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)C12CCOCC2 ZINC000369898587 499148015 /nfs/dbraw/zinc/14/80/15/499148015.db2.gz SCPGNPIJNNSYSR-KANFNMMFSA-N 2 1 364.555 3.305 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3noc(-c4ccc(F)cc4F)n3)C2)CC1 ZINC000370011007 499165566 /nfs/dbraw/zinc/16/55/66/499165566.db2.gz URVAOFANJMNADA-UHFFFAOYSA-N 2 1 362.424 3.323 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3noc(-c4ccc(F)cc4F)n3)C2)CC1 ZINC000370011007 499165568 /nfs/dbraw/zinc/16/55/68/499165568.db2.gz URVAOFANJMNADA-UHFFFAOYSA-N 2 1 362.424 3.323 20 0 FGADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274817 499171888 /nfs/dbraw/zinc/17/18/88/499171888.db2.gz PGPCQQNTIFOISX-RTBURBONSA-N 2 1 355.526 3.097 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274817 499171892 /nfs/dbraw/zinc/17/18/92/499171892.db2.gz PGPCQQNTIFOISX-RTBURBONSA-N 2 1 355.526 3.097 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785342 499175239 /nfs/dbraw/zinc/17/52/39/499175239.db2.gz QWBLGILOQQECQR-COPCDDAFSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785342 499175242 /nfs/dbraw/zinc/17/52/42/499175242.db2.gz QWBLGILOQQECQR-COPCDDAFSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1csc(NC(=O)[C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000367309813 499178041 /nfs/dbraw/zinc/17/80/41/499178041.db2.gz KXBHPCRJKULQHP-MRXNPFEDSA-N 2 1 361.515 3.087 20 0 FGADMP Cc1csc(NC(=O)[C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000367309813 499178042 /nfs/dbraw/zinc/17/80/42/499178042.db2.gz KXBHPCRJKULQHP-MRXNPFEDSA-N 2 1 361.515 3.087 20 0 FGADMP Cc1csc(NC(=O)[C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000367309812 499178252 /nfs/dbraw/zinc/17/82/52/499178252.db2.gz KXBHPCRJKULQHP-INIZCTEOSA-N 2 1 361.515 3.087 20 0 FGADMP Cc1csc(NC(=O)[C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000367309812 499178255 /nfs/dbraw/zinc/17/82/55/499178255.db2.gz KXBHPCRJKULQHP-INIZCTEOSA-N 2 1 361.515 3.087 20 0 FGADMP COc1c(Br)cccc1CNCc1ccc(-n2ccnc2)nc1 ZINC000370291124 499206318 /nfs/dbraw/zinc/20/63/18/499206318.db2.gz PXFWLKWUGMJAAH-UHFFFAOYSA-N 2 1 373.254 3.328 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579290836 506137658 /nfs/dbraw/zinc/13/76/58/506137658.db2.gz NVBNSRGOYGHUAC-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000579290836 506137660 /nfs/dbraw/zinc/13/76/60/506137660.db2.gz NVBNSRGOYGHUAC-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579290836 506137661 /nfs/dbraw/zinc/13/76/61/506137661.db2.gz NVBNSRGOYGHUAC-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000579290836 506137663 /nfs/dbraw/zinc/13/76/63/506137663.db2.gz NVBNSRGOYGHUAC-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H]2CCC[C@H]21 ZINC000367610072 499217658 /nfs/dbraw/zinc/21/76/58/499217658.db2.gz ZXMGIMBIDNWAHJ-PCCBWWKXSA-N 2 1 367.493 3.172 20 0 FGADMP COC(=O)N1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000367709182 499227177 /nfs/dbraw/zinc/22/71/77/499227177.db2.gz RCTZNCVLLXXMQW-MZADTFQBSA-N 2 1 371.525 3.250 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000370671212 499242787 /nfs/dbraw/zinc/24/27/87/499242787.db2.gz OMRBPXPFNBASDS-ORYQWCPZSA-N 2 1 350.510 3.143 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000370671212 499242788 /nfs/dbraw/zinc/24/27/88/499242788.db2.gz OMRBPXPFNBASDS-ORYQWCPZSA-N 2 1 350.510 3.143 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000370732660 499249121 /nfs/dbraw/zinc/24/91/21/499249121.db2.gz OOOWGDKRCLCYKU-AABGKKOBSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370732660 499249122 /nfs/dbraw/zinc/24/91/22/499249122.db2.gz OOOWGDKRCLCYKU-AABGKKOBSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000370732660 499249123 /nfs/dbraw/zinc/24/91/23/499249123.db2.gz OOOWGDKRCLCYKU-AABGKKOBSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000370732661 499249588 /nfs/dbraw/zinc/24/95/88/499249588.db2.gz OOOWGDKRCLCYKU-AQNXPRMDSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370732661 499249590 /nfs/dbraw/zinc/24/95/90/499249590.db2.gz OOOWGDKRCLCYKU-AQNXPRMDSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000370732661 499249591 /nfs/dbraw/zinc/24/95/91/499249591.db2.gz OOOWGDKRCLCYKU-AQNXPRMDSA-N 2 1 355.526 3.438 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367962761 499250286 /nfs/dbraw/zinc/25/02/86/499250286.db2.gz KABLYVSBBNZPNO-UNMCSNQZSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367962761 499250288 /nfs/dbraw/zinc/25/02/88/499250288.db2.gz KABLYVSBBNZPNO-UNMCSNQZSA-N 2 1 373.504 3.426 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367962761 499250290 /nfs/dbraw/zinc/25/02/90/499250290.db2.gz KABLYVSBBNZPNO-UNMCSNQZSA-N 2 1 373.504 3.426 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)CCC[N@@H+]2C)cc1 ZINC000368114915 499266052 /nfs/dbraw/zinc/26/60/52/499266052.db2.gz KMCLGCJVEJHZSP-ILZDJORESA-N 2 1 371.529 3.083 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+][C@@H](C)C(C)(C)n3cncn3)CCC[N@H+]2C)cc1 ZINC000368114915 499266055 /nfs/dbraw/zinc/26/60/55/499266055.db2.gz KMCLGCJVEJHZSP-ILZDJORESA-N 2 1 371.529 3.083 20 0 FGADMP CC(C)N1CCc2nc(CNCc3ccnc(N4CCCC4)c3)sc2C1 ZINC000368174136 499271296 /nfs/dbraw/zinc/27/12/96/499271296.db2.gz PJAIJNONOWDAOP-UHFFFAOYSA-N 2 1 371.554 3.195 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371034108 499282284 /nfs/dbraw/zinc/28/22/84/499282284.db2.gz MVALZRUUJKABLY-QUCCMNQESA-N 2 1 364.578 3.014 20 0 FGADMP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000368319276 499284891 /nfs/dbraw/zinc/28/48/91/499284891.db2.gz WEBZPDWQGDFRRT-GUDVDZBRSA-N 2 1 360.452 3.148 20 0 FGADMP CCOc1cccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000371091912 499287796 /nfs/dbraw/zinc/28/77/96/499287796.db2.gz XTWBDPVZJBOXBS-UHFFFAOYSA-N 2 1 373.541 3.011 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000368354033 499288268 /nfs/dbraw/zinc/28/82/68/499288268.db2.gz GDHFIRNMCCELLZ-OEMYIYORSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000368354033 499288269 /nfs/dbraw/zinc/28/82/69/499288269.db2.gz GDHFIRNMCCELLZ-OEMYIYORSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000368354033 499288271 /nfs/dbraw/zinc/28/82/71/499288271.db2.gz GDHFIRNMCCELLZ-OEMYIYORSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[N@H+]([C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000368354031 499288446 /nfs/dbraw/zinc/28/84/46/499288446.db2.gz GDHFIRNMCCELLZ-DCXXXQMHSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000368354031 499288448 /nfs/dbraw/zinc/28/84/48/499288448.db2.gz GDHFIRNMCCELLZ-DCXXXQMHSA-N 2 1 363.546 3.240 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@]12CCC[C@@H]1C[NH+]([C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000368354031 499288450 /nfs/dbraw/zinc/28/84/50/499288450.db2.gz GDHFIRNMCCELLZ-DCXXXQMHSA-N 2 1 363.546 3.240 20 0 FGADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380947 499290733 /nfs/dbraw/zinc/29/07/33/499290733.db2.gz QREJAFOLQBYEKQ-PMACEKPBSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301597 499307143 /nfs/dbraw/zinc/30/71/43/499307143.db2.gz GIUNLJFRXJMONS-UGKGYDQZSA-N 2 1 367.537 3.176 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000371329801 499311126 /nfs/dbraw/zinc/31/11/26/499311126.db2.gz NVUYIDQUZONUSP-RXVVDRJESA-N 2 1 367.493 3.167 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000371334542 499311848 /nfs/dbraw/zinc/31/18/48/499311848.db2.gz GUBWSZUMLSQINX-HXUWFJFHSA-N 2 1 372.582 3.198 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466614 499330763 /nfs/dbraw/zinc/33/07/63/499330763.db2.gz QNLOAAASYMUWET-XUVXKRRUSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371466614 499330765 /nfs/dbraw/zinc/33/07/65/499330765.db2.gz QNLOAAASYMUWET-XUVXKRRUSA-N 2 1 354.498 3.069 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2cccc3ccccc32)CCN1C1CC[NH+](C)CC1 ZINC000371691919 499355796 /nfs/dbraw/zinc/35/57/96/499355796.db2.gz DTCMQTXTFMJRAK-IBGZPJMESA-N 2 1 367.537 3.319 20 0 FGADMP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000369181533 499375213 /nfs/dbraw/zinc/37/52/13/499375213.db2.gz ZYDXGHXTHXFMMI-UHFFFAOYSA-N 2 1 369.509 3.059 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)c3ccc(F)cc3C)CC2)nc(C)n1 ZINC000371884598 499375453 /nfs/dbraw/zinc/37/54/53/499375453.db2.gz SPBFKVMBBBEBLQ-FQEVSTJZSA-N 2 1 372.488 3.175 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@H](O)c3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC000371884598 499375455 /nfs/dbraw/zinc/37/54/55/499375455.db2.gz SPBFKVMBBBEBLQ-FQEVSTJZSA-N 2 1 372.488 3.175 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)c3ccc(F)cc3C)CC2)nc(C)[nH+]1 ZINC000371884598 499375456 /nfs/dbraw/zinc/37/54/56/499375456.db2.gz SPBFKVMBBBEBLQ-FQEVSTJZSA-N 2 1 372.488 3.175 20 0 FGADMP Cc1ccc(N2CCC(c3nc(Cc4cn5ccccc5n4)no3)CC2)[nH+]c1 ZINC000371939568 499381812 /nfs/dbraw/zinc/38/18/12/499381812.db2.gz RXNFIXDTCQOKRJ-UHFFFAOYSA-N 2 1 374.448 3.396 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000372190509 499407201 /nfs/dbraw/zinc/40/72/01/499407201.db2.gz BNNWJBUESZYHAT-RBBKRZOGSA-N 2 1 367.537 3.371 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000372189842 499407206 /nfs/dbraw/zinc/40/72/06/499407206.db2.gz BNRYCMAQCYIJJG-MRXNPFEDSA-N 2 1 354.458 3.232 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(-c3cnn(C)c3)no2)C1 ZINC000372189842 499407207 /nfs/dbraw/zinc/40/72/07/499407207.db2.gz BNRYCMAQCYIJJG-MRXNPFEDSA-N 2 1 354.458 3.232 20 0 FGADMP CCN(CC)[C@H](CNC(=O)NC[C@H]1CCCn2cc(C)nc21)c1ccco1 ZINC000372238639 499411815 /nfs/dbraw/zinc/41/18/15/499411815.db2.gz NLBMPQOUAVRXCD-IAGOWNOFSA-N 2 1 373.501 3.044 20 0 FGADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000369739818 499439729 /nfs/dbraw/zinc/43/97/29/499439729.db2.gz QKGOHRDAMUTGCM-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@](C)(O)C3CCCCC3)sc2C1 ZINC000373626304 499480617 /nfs/dbraw/zinc/48/06/17/499480617.db2.gz ZFFCFXIXGFPTPJ-IBGZPJMESA-N 2 1 351.560 3.331 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@](C)(O)C3CCCCC3)sc2C1 ZINC000373626304 499480618 /nfs/dbraw/zinc/48/06/18/499480618.db2.gz ZFFCFXIXGFPTPJ-IBGZPJMESA-N 2 1 351.560 3.331 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000373763235 499486905 /nfs/dbraw/zinc/48/69/05/499486905.db2.gz MXNXKCYWJYZMBT-OAQYLSRUSA-N 2 1 366.509 3.410 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000373763235 499486906 /nfs/dbraw/zinc/48/69/06/499486906.db2.gz MXNXKCYWJYZMBT-OAQYLSRUSA-N 2 1 366.509 3.410 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1Cl ZINC000375294974 499503842 /nfs/dbraw/zinc/50/38/42/499503842.db2.gz XXHJGFQISUWMCZ-ILXVDBEPSA-N 2 1 367.921 3.284 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1Cl ZINC000375294974 499503843 /nfs/dbraw/zinc/50/38/43/499503843.db2.gz XXHJGFQISUWMCZ-ILXVDBEPSA-N 2 1 367.921 3.284 20 0 FGADMP C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375356715 499510289 /nfs/dbraw/zinc/51/02/89/499510289.db2.gz OIVLFXPCFBCGHB-RBBKRZOGSA-N 2 1 359.558 3.194 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000382721996 499546293 /nfs/dbraw/zinc/54/62/93/499546293.db2.gz NWWDWHFVMMFCJB-GHTZIAJQSA-N 2 1 351.494 3.200 20 0 FGADMP COC(=O)c1ccc(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000388981163 499551933 /nfs/dbraw/zinc/55/19/33/499551933.db2.gz QTLAEINZRDBOKS-QXAKKESOSA-N 2 1 354.450 3.066 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389156292 499552138 /nfs/dbraw/zinc/55/21/38/499552138.db2.gz YCCWBMHZSDKDEC-SESVDKBCSA-N 2 1 358.526 3.215 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@H]2CCC[C@H]21 ZINC000375854598 499562641 /nfs/dbraw/zinc/56/26/41/499562641.db2.gz UWCZDOFXVNDLDY-QHAWAJNXSA-N 2 1 364.493 3.296 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000579344966 506152382 /nfs/dbraw/zinc/15/23/82/506152382.db2.gz NUHVYGDGHTWLFJ-QKNQBKEWSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000579344966 506152387 /nfs/dbraw/zinc/15/23/87/506152387.db2.gz NUHVYGDGHTWLFJ-QKNQBKEWSA-N 2 1 374.550 3.298 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000377393488 499686374 /nfs/dbraw/zinc/68/63/74/499686374.db2.gz SFDGVXKOCUGJSV-HRAATJIYSA-N 2 1 361.505 3.473 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c2ccc(F)cc2C1 ZINC000377393488 499686375 /nfs/dbraw/zinc/68/63/75/499686375.db2.gz SFDGVXKOCUGJSV-HRAATJIYSA-N 2 1 361.505 3.473 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377481724 499695524 /nfs/dbraw/zinc/69/55/24/499695524.db2.gz NEGRYASAQUAGQB-LJQANCHMSA-N 2 1 373.541 3.065 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)cn1C ZINC000377659077 499716484 /nfs/dbraw/zinc/71/64/84/499716484.db2.gz ZJFJDELMVLMAGJ-MRXNPFEDSA-N 2 1 355.482 3.127 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000377690034 499720121 /nfs/dbraw/zinc/72/01/21/499720121.db2.gz CLCRETQNDKWAOF-MGPUTAFESA-N 2 1 365.481 3.410 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000411328805 499726219 /nfs/dbraw/zinc/72/62/19/499726219.db2.gz QGQPVYIVLCEJJH-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000411328805 499726220 /nfs/dbraw/zinc/72/62/20/499726220.db2.gz QGQPVYIVLCEJJH-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000411328805 499726222 /nfs/dbraw/zinc/72/62/22/499726222.db2.gz QGQPVYIVLCEJJH-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP C[N@H+]1CC[C@@H](CNCc2nccn2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000377763732 499730379 /nfs/dbraw/zinc/73/03/79/499730379.db2.gz RYKYTVZFMRBOBK-RDJZCZTQSA-N 2 1 352.404 3.228 20 0 FGADMP O=C1C[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410106 499736314 /nfs/dbraw/zinc/73/63/14/499736314.db2.gz CIMHSECIHBRJES-RTWAWAEBSA-N 2 1 355.526 3.163 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000377821573 499739035 /nfs/dbraw/zinc/73/90/35/499739035.db2.gz PTQQTBQAMKZWHL-SFHVURJKSA-N 2 1 374.960 3.254 20 0 FGADMP C[C@@H](CC1CC1)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378049354 499756160 /nfs/dbraw/zinc/75/61/60/499756160.db2.gz XMNJEFFXTNEDOX-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP CN1CCO[C@@H]([C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199365 499768195 /nfs/dbraw/zinc/76/81/95/499768195.db2.gz WUPXERYPSHHHDV-AHRSYUTCSA-N 2 1 365.949 3.033 20 0 FGADMP C[C@@H]1OCC[C@@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411670010 499775526 /nfs/dbraw/zinc/77/55/26/499775526.db2.gz KPSJQKFABHELNW-XQBPLPMBSA-N 2 1 358.526 3.441 20 0 FGADMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)ccc1C(F)(F)F ZINC000414375724 499783002 /nfs/dbraw/zinc/78/30/02/499783002.db2.gz ZNAWSENAKLPYHS-UHFFFAOYSA-N 2 1 355.448 3.227 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c2C)cc1 ZINC000414664822 499818434 /nfs/dbraw/zinc/81/84/34/499818434.db2.gz UDGMBDDJEQKAJC-NRFANRHFSA-N 2 1 358.530 3.362 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c2C)cc1 ZINC000414664822 499818435 /nfs/dbraw/zinc/81/84/35/499818435.db2.gz UDGMBDDJEQKAJC-NRFANRHFSA-N 2 1 358.530 3.362 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2CCCc2ccccc2)C1 ZINC000414714847 499822054 /nfs/dbraw/zinc/82/20/54/499822054.db2.gz VYWYIVUEWAKVJA-SFTDATJTSA-N 2 1 357.542 3.061 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(F)(F)F ZINC000414772418 499829213 /nfs/dbraw/zinc/82/92/13/499829213.db2.gz UGTUEPUEVMKOFN-GASCZTMLSA-N 2 1 358.404 3.068 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780313 499830501 /nfs/dbraw/zinc/83/05/01/499830501.db2.gz LIHGHHSCXSBPND-GJZGRUSLSA-N 2 1 353.304 3.279 20 0 FGADMP COc1sc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784995 499831188 /nfs/dbraw/zinc/83/11/88/499831188.db2.gz RYBAXZSVZVZCJX-RYUDHWBXSA-N 2 1 359.333 3.341 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414934677 499846102 /nfs/dbraw/zinc/84/61/02/499846102.db2.gz FKSXUOITIBHDPF-UHFFFAOYSA-N 2 1 371.319 3.478 20 0 FGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)CC1CCOCC1 ZINC000414935989 499846390 /nfs/dbraw/zinc/84/63/90/499846390.db2.gz BEBYVYLPGTXLOV-GZRFBZBPSA-N 2 1 352.469 3.453 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946703 499847494 /nfs/dbraw/zinc/84/74/94/499847494.db2.gz JWBIXJBBHKOGND-CJNGLKHVSA-N 2 1 371.319 3.095 20 0 FGADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(OC2CCCC2)c1 ZINC000415052803 499858682 /nfs/dbraw/zinc/85/86/82/499858682.db2.gz LKBZTQMAAVHCIJ-UHFFFAOYSA-N 2 1 357.542 3.314 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccc3Cl)c2)CCCO1 ZINC000415117453 499866065 /nfs/dbraw/zinc/86/60/65/499866065.db2.gz ZHAVFZHYORUCDK-LJQANCHMSA-N 2 1 360.885 3.469 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3Cl)c2)CCCO1 ZINC000415117453 499866066 /nfs/dbraw/zinc/86/60/66/499866066.db2.gz ZHAVFZHYORUCDK-LJQANCHMSA-N 2 1 360.885 3.469 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)c(F)c3)CC2)C1 ZINC000415130757 499868189 /nfs/dbraw/zinc/86/81/89/499868189.db2.gz XOJHPRUQEAKZSU-RHSMWYFYSA-N 2 1 371.294 3.307 20 0 FGADMP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413091332 499912502 /nfs/dbraw/zinc/91/25/02/499912502.db2.gz CELUHUNFGSPBAC-FGTMMUONSA-N 2 1 358.530 3.028 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413175220 499922746 /nfs/dbraw/zinc/92/27/46/499922746.db2.gz JOCZQSTXEQDQBN-ZRSRNVLSSA-N 2 1 373.541 3.496 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000415898080 499925571 /nfs/dbraw/zinc/92/55/71/499925571.db2.gz GXGWXRJCRPGCGG-QFBILLFUSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000415904800 499926387 /nfs/dbraw/zinc/92/63/87/499926387.db2.gz SEDNRAMPNUVXBI-UHFFFAOYSA-N 2 1 352.482 3.064 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000415906107 499926720 /nfs/dbraw/zinc/92/67/20/499926720.db2.gz WNLADGLFSVOWTG-UHFFFAOYSA-N 2 1 370.472 3.285 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000415906107 499926722 /nfs/dbraw/zinc/92/67/22/499926722.db2.gz WNLADGLFSVOWTG-UHFFFAOYSA-N 2 1 370.472 3.285 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000415906591 499926780 /nfs/dbraw/zinc/92/67/80/499926780.db2.gz XUDLMTSYHDBFKF-UHFFFAOYSA-N 2 1 366.509 3.364 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000415911787 499927561 /nfs/dbraw/zinc/92/75/61/499927561.db2.gz KAOBUXLMBOAQDA-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938287 499930836 /nfs/dbraw/zinc/93/08/36/499930836.db2.gz OQLJRKVBSMDWLT-MRXNPFEDSA-N 2 1 362.518 3.046 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC1 ZINC000415963963 499934439 /nfs/dbraw/zinc/93/44/39/499934439.db2.gz VODAKTWGZBKBNE-UHFFFAOYSA-N 2 1 352.482 3.322 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415966567 499935082 /nfs/dbraw/zinc/93/50/82/499935082.db2.gz AHBQXPYAXIHZNX-LJQANCHMSA-N 2 1 352.482 3.131 20 0 FGADMP C[C@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415971688 499935671 /nfs/dbraw/zinc/93/56/71/499935671.db2.gz GSBYBLLDRNOZSM-KRWDZBQOSA-N 2 1 352.482 3.274 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415973009 499935997 /nfs/dbraw/zinc/93/59/97/499935997.db2.gz PNGWDGQLPBWQGA-UHFFFAOYSA-N 2 1 372.435 3.408 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415996151 499939217 /nfs/dbraw/zinc/93/92/17/499939217.db2.gz MLVNDFXLWUGKSW-OAQYLSRUSA-N 2 1 364.493 3.418 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(CCc3cc(Cl)c4c(c3)OCCCO4)C2)C1 ZINC000429000443 499978215 /nfs/dbraw/zinc/97/82/15/499978215.db2.gz TZBNKWXZWVNYRM-IBGZPJMESA-N 2 1 350.890 3.071 20 0 FGADMP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)[NH+](CC)CC ZINC000425081634 500014084 /nfs/dbraw/zinc/01/40/84/500014084.db2.gz OALXZIPKLJBFAV-AWEZNQCLSA-N 2 1 352.548 3.359 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[C@H]1[NH3+] ZINC000429192122 500022193 /nfs/dbraw/zinc/02/21/93/500022193.db2.gz ZGOFZFFCBLERKU-LAUBAEHRSA-N 2 1 351.494 3.128 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1F ZINC000417280376 500027442 /nfs/dbraw/zinc/02/74/42/500027442.db2.gz OUDGLNWQNCAFKS-SFHVURJKSA-N 2 1 373.476 3.027 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000429229658 500027841 /nfs/dbraw/zinc/02/78/41/500027841.db2.gz UQAXRIMXOMGHLO-QGZVFWFLSA-N 2 1 374.504 3.344 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1cccc(F)c1 ZINC000429229658 500027843 /nfs/dbraw/zinc/02/78/43/500027843.db2.gz UQAXRIMXOMGHLO-QGZVFWFLSA-N 2 1 374.504 3.344 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C1(O)CCOCC1 ZINC000417384527 500055614 /nfs/dbraw/zinc/05/56/14/500055614.db2.gz QLBRCTPPIHMKRZ-QUCCMNQESA-N 2 1 360.542 3.054 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399807 500070062 /nfs/dbraw/zinc/07/00/62/500070062.db2.gz XNDDCDFDSAFTDJ-CXAGYDPISA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399807 500070065 /nfs/dbraw/zinc/07/00/65/500070065.db2.gz XNDDCDFDSAFTDJ-CXAGYDPISA-N 2 1 367.331 3.117 20 0 FGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375435 500089037 /nfs/dbraw/zinc/08/90/37/500089037.db2.gz ZOLVMHPCFYPRME-XUVXKRRUSA-N 2 1 360.567 3.399 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000416824651 500130557 /nfs/dbraw/zinc/13/05/57/500130557.db2.gz ZUKISFMUHFRHSS-MOPGFXCFSA-N 2 1 366.465 3.035 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417734325 500159664 /nfs/dbraw/zinc/15/96/64/500159664.db2.gz KAXQTWPTNVHKNX-JZXOWHBKSA-N 2 1 366.575 3.146 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3C(=O)N(C)C)C2)CC1 ZINC000417741902 500161760 /nfs/dbraw/zinc/16/17/60/500161760.db2.gz AYDGXSVWPKNXCA-IBGZPJMESA-N 2 1 357.542 3.332 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3C(=O)N(C)C)C2)CC1 ZINC000417741902 500161762 /nfs/dbraw/zinc/16/17/62/500161762.db2.gz AYDGXSVWPKNXCA-IBGZPJMESA-N 2 1 357.542 3.332 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1=O ZINC000421848858 500163145 /nfs/dbraw/zinc/16/31/45/500163145.db2.gz AQEPIGTWLBCWDG-FNAHDJPLSA-N 2 1 369.553 3.278 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421854494 500163804 /nfs/dbraw/zinc/16/38/04/500163804.db2.gz LOSQHEDDUKRZOJ-YWZLYKJASA-N 2 1 350.478 3.376 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C2CC2)c(F)c1 ZINC000421854494 500163806 /nfs/dbraw/zinc/16/38/06/500163806.db2.gz LOSQHEDDUKRZOJ-YWZLYKJASA-N 2 1 350.478 3.376 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416973193 500171326 /nfs/dbraw/zinc/17/13/26/500171326.db2.gz UIEYFDWTHKVYHE-NQIIRXRSSA-N 2 1 374.573 3.433 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000417811946 500177059 /nfs/dbraw/zinc/17/70/59/500177059.db2.gz KJTJWWKLHBMOFZ-ZWKOTPCHSA-N 2 1 368.525 3.416 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000417859288 500186025 /nfs/dbraw/zinc/18/60/25/500186025.db2.gz RDZMHSCSNUHKBZ-HNNXBMFYSA-N 2 1 355.486 3.203 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000417874486 500189430 /nfs/dbraw/zinc/18/94/30/500189430.db2.gz KLRLDQJJBLNAEG-PXNSSMCTSA-N 2 1 360.546 3.187 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000417881589 500190867 /nfs/dbraw/zinc/19/08/67/500190867.db2.gz RDPSMAKTTYHIKX-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000417890357 500193040 /nfs/dbraw/zinc/19/30/40/500193040.db2.gz ZFVPAWUKRKOBTE-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP c1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1C[NH+]1CCO[C@H]2CCC[C@H]21 ZINC000430277770 500220629 /nfs/dbraw/zinc/22/06/29/500220629.db2.gz GYIBUZSNDBSMOR-CZYKHXBRSA-N 2 1 356.510 3.193 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1(C)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000418174566 500242395 /nfs/dbraw/zinc/24/23/95/500242395.db2.gz FGWCOXRPNCGJPP-KRWDZBQOSA-N 2 1 366.937 3.164 20 0 FGADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C3CCOCC3)C[C@H]2C)c2ccccn21 ZINC000579481539 506185899 /nfs/dbraw/zinc/18/58/99/506185899.db2.gz JPAXDHGICMBJMH-QGZVFWFLSA-N 2 1 356.514 3.143 20 0 FGADMP CC(C)c1[nH+]c(CN2CC[N@H+](C3CCOCC3)C[C@H]2C)c2ccccn21 ZINC000579481539 506185902 /nfs/dbraw/zinc/18/59/02/506185902.db2.gz JPAXDHGICMBJMH-QGZVFWFLSA-N 2 1 356.514 3.143 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418355015 500267674 /nfs/dbraw/zinc/26/76/74/500267674.db2.gz FJGADPTVKXTTNO-TZIWHRDSSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625821 500283116 /nfs/dbraw/zinc/28/31/16/500283116.db2.gz COYYJMWININKAV-HPFXQQBRSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625821 500283118 /nfs/dbraw/zinc/28/31/18/500283118.db2.gz COYYJMWININKAV-HPFXQQBRSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422641161 500285548 /nfs/dbraw/zinc/28/55/48/500285548.db2.gz XGRFXSQQYLQSFP-HZSPNIEDSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)C[C@H](C)O1 ZINC000430800253 500287303 /nfs/dbraw/zinc/28/73/03/500287303.db2.gz QELBELYOTYEWKU-XRSVSMENSA-N 2 1 371.525 3.155 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)C[C@H](C)O1 ZINC000430800253 500287306 /nfs/dbraw/zinc/28/73/06/500287306.db2.gz QELBELYOTYEWKU-XRSVSMENSA-N 2 1 371.525 3.155 20 0 FGADMP CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422710841 500288178 /nfs/dbraw/zinc/28/81/78/500288178.db2.gz LRRADDBADWIVCB-UAGQMJEPSA-N 2 1 352.320 3.148 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422728760 500290926 /nfs/dbraw/zinc/29/09/26/500290926.db2.gz GXKUEIZGYKIHPI-IEZWGBDMSA-N 2 1 358.530 3.222 20 0 FGADMP COc1ccc([C@@H](NCC[N@@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422730667 500291794 /nfs/dbraw/zinc/29/17/94/500291794.db2.gz FCXFOAKIDJUKCW-PZJWPPBQSA-N 2 1 371.550 3.198 20 0 FGADMP COc1ccc([C@@H](NCC[N@H+]2CCc3sccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422730667 500291798 /nfs/dbraw/zinc/29/17/98/500291798.db2.gz FCXFOAKIDJUKCW-PZJWPPBQSA-N 2 1 371.550 3.198 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000422781150 500296695 /nfs/dbraw/zinc/29/66/95/500296695.db2.gz DTSZGGWELQQDMO-MAUKXSAKSA-N 2 1 358.530 3.079 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797815 500298862 /nfs/dbraw/zinc/29/88/62/500298862.db2.gz OOOYTYJOAOCRHY-SYYKKAFVSA-N 2 1 355.526 3.096 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC000422797815 500298864 /nfs/dbraw/zinc/29/88/64/500298864.db2.gz OOOYTYJOAOCRHY-SYYKKAFVSA-N 2 1 355.526 3.096 20 0 FGADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC(F)F ZINC000422805119 500300509 /nfs/dbraw/zinc/30/05/09/500300509.db2.gz GHBOXCKAIKGUIA-XJKSGUPXSA-N 2 1 350.409 3.345 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810560 500301063 /nfs/dbraw/zinc/30/10/63/500301063.db2.gz NQJMWHOZQQUKID-HLSZOSTASA-N 3 1 371.569 3.306 20 0 FGADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000422810560 500301066 /nfs/dbraw/zinc/30/10/66/500301066.db2.gz NQJMWHOZQQUKID-HLSZOSTASA-N 2 1 371.569 3.306 20 0 FGADMP CC[C@H](CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422813416 500301409 /nfs/dbraw/zinc/30/14/09/500301409.db2.gz YCQCLGHTELJRDY-YSZBQJHXSA-N 2 1 351.538 3.371 20 0 FGADMP CC[NH+](CC)[C@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831567 500303147 /nfs/dbraw/zinc/30/31/47/500303147.db2.gz JZCXYFCKVAWJNF-UTKZUKDTSA-N 2 1 354.542 3.452 20 0 FGADMP CCOc1c(OC)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422836414 500304035 /nfs/dbraw/zinc/30/40/35/500304035.db2.gz KBCZTUHIIJWNCT-YJBOKZPZSA-N 2 1 358.482 3.151 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000422849024 500305192 /nfs/dbraw/zinc/30/51/92/500305192.db2.gz LAMTXQNERPXYNC-SZMVWBNQSA-N 2 1 358.530 3.079 20 0 FGADMP CCCN(C(=O)N[C@@H](C)CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418694617 500309124 /nfs/dbraw/zinc/30/91/24/500309124.db2.gz WAOLXMUNMKOINO-ICSRJNTNSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418701412 500309861 /nfs/dbraw/zinc/30/98/61/500309861.db2.gz GGYQOPLZRFZDJF-OALUTQOASA-N 2 1 368.525 3.066 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884058 500310006 /nfs/dbraw/zinc/31/00/06/500310006.db2.gz RNHZPLHZZFXWIG-RTWAWAEBSA-N 2 1 367.493 3.454 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422895621 500312350 /nfs/dbraw/zinc/31/23/50/500312350.db2.gz WJPBAXPNNCMMOU-PCCBWWKXSA-N 2 1 359.558 3.418 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000430964736 500314232 /nfs/dbraw/zinc/31/42/32/500314232.db2.gz IZLYTVNTIMAMNQ-SNVBAGLBSA-N 2 1 363.811 3.357 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000418750131 500318117 /nfs/dbraw/zinc/31/81/17/500318117.db2.gz NNZRQVQOLIBXMN-NRSPTQNISA-N 2 1 372.557 3.213 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418754993 500318670 /nfs/dbraw/zinc/31/86/70/500318670.db2.gz WWBGVDMQWXULFC-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418763180 500320031 /nfs/dbraw/zinc/32/00/31/500320031.db2.gz HUOTWGOXBBZXCW-UYAOXDASSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422979814 500326773 /nfs/dbraw/zinc/32/67/73/500326773.db2.gz KJIKTPXHKUMHQN-RDTXWAMCSA-N 2 1 370.884 3.481 20 0 FGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423011012 500330976 /nfs/dbraw/zinc/33/09/76/500330976.db2.gz HYFKBHKNSALXIQ-KURKYZTESA-N 2 1 352.906 3.028 20 0 FGADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@H]1OCc1ccccc1 ZINC000423047810 500334854 /nfs/dbraw/zinc/33/48/54/500334854.db2.gz HDNRBWKOUNHCIT-SRHPJPHMSA-N 2 1 358.526 3.117 20 0 FGADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423086901 500340361 /nfs/dbraw/zinc/34/03/61/500340361.db2.gz MWIVCLYFICMBHZ-ZANVPECISA-N 2 1 364.658 3.162 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Cl)cc1I ZINC000423086603 500340455 /nfs/dbraw/zinc/34/04/55/500340455.db2.gz MHFRPYHREDLSJY-DTWKUNHWSA-N 2 1 352.647 3.160 20 0 FGADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423124129 500345092 /nfs/dbraw/zinc/34/50/92/500345092.db2.gz MCKSLFKTBSVPFC-IUIKQTSFSA-N 2 1 364.358 3.230 20 0 FGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129205 500346318 /nfs/dbraw/zinc/34/63/18/500346318.db2.gz FBFRYKHWYAANLT-PZJWPPBQSA-N 3 1 359.558 3.022 20 0 FGADMP [NH3+][C@H]1C[C@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000423144555 500347889 /nfs/dbraw/zinc/34/78/89/500347889.db2.gz HMLODBXBVJOBGP-ROUUACIJSA-N 2 1 364.898 3.238 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000427056369 500348834 /nfs/dbraw/zinc/34/88/34/500348834.db2.gz FEZHTTZCZGIYEL-NNWRFLSQSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000427056369 500348837 /nfs/dbraw/zinc/34/88/37/500348837.db2.gz FEZHTTZCZGIYEL-NNWRFLSQSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000427056369 500348839 /nfs/dbraw/zinc/34/88/39/500348839.db2.gz FEZHTTZCZGIYEL-NNWRFLSQSA-N 2 1 367.537 3.126 20 0 FGADMP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423169139 500350460 /nfs/dbraw/zinc/35/04/60/500350460.db2.gz ZGBLMFAGFIERFF-YXJHDRRASA-N 2 1 369.347 3.029 20 0 FGADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423169071 500350481 /nfs/dbraw/zinc/35/04/81/500350481.db2.gz YZJBBJIFMWMBEQ-HDMKZQKVSA-N 2 1 369.347 3.029 20 0 FGADMP Brc1cccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CCOCC2)c1 ZINC000423236887 500357288 /nfs/dbraw/zinc/35/72/88/500357288.db2.gz OZSOLMDVOOLYLV-DLBZAZTESA-N 2 1 353.304 3.258 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423260427 500359303 /nfs/dbraw/zinc/35/93/03/500359303.db2.gz HKRGCBCFDHGQKZ-QAPCUYQASA-N 2 1 350.503 3.279 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423387641 500369748 /nfs/dbraw/zinc/36/97/48/500369748.db2.gz SSKABVRWLWIXHG-FIKGOQFSSA-N 2 1 351.494 3.489 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)C[C@H](C)O1 ZINC000423410441 500371786 /nfs/dbraw/zinc/37/17/86/500371786.db2.gz CXMBGAJVEPIPFF-JTDSTZFVSA-N 2 1 359.514 3.013 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@H]3[NH2+]CCCC3(C)C)c2)C[C@H](C)O1 ZINC000423410441 500371789 /nfs/dbraw/zinc/37/17/89/500371789.db2.gz CXMBGAJVEPIPFF-JTDSTZFVSA-N 2 1 359.514 3.013 20 0 FGADMP Brc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423494449 500378999 /nfs/dbraw/zinc/37/89/99/500378999.db2.gz SBQGUCDFFXYMCA-DOTOQJQBSA-N 2 1 353.304 3.185 20 0 FGADMP Fc1ccc(N2CCC([NH2+][C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC2)c(F)c1 ZINC000423498871 500379159 /nfs/dbraw/zinc/37/91/59/500379159.db2.gz BLWILWNUEVNMRH-AZUAARDMSA-N 2 1 357.448 3.279 20 0 FGADMP CC1(C)[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@H]1Oc1ccccc1 ZINC000423510314 500380479 /nfs/dbraw/zinc/38/04/79/500380479.db2.gz NLFOMOSLNOBHES-OWQMCBFZSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000423524505 500381894 /nfs/dbraw/zinc/38/18/94/500381894.db2.gz XGDGPXXJZREXTK-RWBZWWBESA-N 2 1 366.347 3.316 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000423525582 500382069 /nfs/dbraw/zinc/38/20/69/500382069.db2.gz KLWUUYBXMPDMDZ-OSFFKXSWSA-N 2 1 361.533 3.242 20 0 FGADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423530997 500383063 /nfs/dbraw/zinc/38/30/63/500383063.db2.gz SCMGQOICYKATGP-IBYOXZABSA-N 2 1 371.525 3.458 20 0 FGADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423621193 500390317 /nfs/dbraw/zinc/39/03/17/500390317.db2.gz XLEGTLHFAURPES-AEFFLSMTSA-N 2 1 358.530 3.081 20 0 FGADMP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423637261 500390969 /nfs/dbraw/zinc/39/09/69/500390969.db2.gz RDURQAVKSQPPER-ROUUACIJSA-N 2 1 358.530 3.223 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423710053 500396192 /nfs/dbraw/zinc/39/61/92/500396192.db2.gz RHSGEBXBVREQND-RYQLBKOJSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000423768925 500400061 /nfs/dbraw/zinc/40/00/61/500400061.db2.gz BQCXAGNMEOGFOH-RBUKOAKNSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656136 500404109 /nfs/dbraw/zinc/40/41/09/500404109.db2.gz VFRJZASMGLPTNL-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP CC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000427559395 500405557 /nfs/dbraw/zinc/40/55/57/500405557.db2.gz LZMNKTGQRALMQV-XALWFJFJSA-N 2 1 357.542 3.324 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423831419 500408281 /nfs/dbraw/zinc/40/82/81/500408281.db2.gz WBCLPTKCEHDKCD-HLAWJBBLSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878448 500414992 /nfs/dbraw/zinc/41/49/92/500414992.db2.gz UMYCWVUEOMQPBS-LQWHRVPQSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000423972477 500427280 /nfs/dbraw/zinc/42/72/80/500427280.db2.gz PHDLWUVNEURENY-LAUBAEHRSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@@H](C(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000423972477 500427283 /nfs/dbraw/zinc/42/72/83/500427283.db2.gz PHDLWUVNEURENY-LAUBAEHRSA-N 2 1 351.494 3.030 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000431845535 500433079 /nfs/dbraw/zinc/43/30/79/500433079.db2.gz OVGRWIWGKYZVMO-YYWHXJBOSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845535 500433082 /nfs/dbraw/zinc/43/30/82/500433082.db2.gz OVGRWIWGKYZVMO-YYWHXJBOSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000431845535 500433084 /nfs/dbraw/zinc/43/30/84/500433084.db2.gz OVGRWIWGKYZVMO-YYWHXJBOSA-N 2 1 359.558 3.259 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[NH+]3CCC([C@@H](C)[NH3+])CC3)n2)cc1 ZINC000420282603 500433835 /nfs/dbraw/zinc/43/38/35/500433835.db2.gz BSBAIBNJEUWQHU-CQSZACIVSA-N 2 1 358.511 3.116 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307928 500438586 /nfs/dbraw/zinc/43/85/86/500438586.db2.gz RRVZBEURQMUYBO-JTHBVZDNSA-N 2 1 368.521 3.461 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420311467 500439212 /nfs/dbraw/zinc/43/92/12/500439212.db2.gz HCIQXLCTFJYJFO-FTRWYGJKSA-N 2 1 353.466 3.044 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420311467 500439213 /nfs/dbraw/zinc/43/92/13/500439213.db2.gz HCIQXLCTFJYJFO-FTRWYGJKSA-N 2 1 353.466 3.044 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330690 500442399 /nfs/dbraw/zinc/44/23/99/500442399.db2.gz BEMFHGNDUXRMJF-BHIYHBOVSA-N 2 1 351.494 3.488 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332529 500443290 /nfs/dbraw/zinc/44/32/90/500443290.db2.gz DCQCFLMNFCMKGG-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332529 500443291 /nfs/dbraw/zinc/44/32/91/500443291.db2.gz DCQCFLMNFCMKGG-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420346980 500446156 /nfs/dbraw/zinc/44/61/56/500446156.db2.gz ZPJSQQMSTAYQJI-RBUKOAKNSA-N 2 1 351.494 3.490 20 0 FGADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359097 500447070 /nfs/dbraw/zinc/44/70/70/500447070.db2.gz FVCSPBGEROKFLX-FGSXEWAUSA-N 2 1 365.521 3.258 20 0 FGADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420380528 500451622 /nfs/dbraw/zinc/45/16/22/500451622.db2.gz CCTIMKLDFCRZMK-IMFGXOCKSA-N 2 1 361.505 3.199 20 0 FGADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420380528 500451625 /nfs/dbraw/zinc/45/16/25/500451625.db2.gz CCTIMKLDFCRZMK-IMFGXOCKSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385265 500452543 /nfs/dbraw/zinc/45/25/43/500452543.db2.gz SQIGSVBEJNEYIG-FZMZJTMJSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385265 500452546 /nfs/dbraw/zinc/45/25/46/500452546.db2.gz SQIGSVBEJNEYIG-FZMZJTMJSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420416288 500457707 /nfs/dbraw/zinc/45/77/07/500457707.db2.gz VRSMNUFMFPKUJJ-PLMTUMEDSA-N 2 1 371.550 3.261 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038157 500461209 /nfs/dbraw/zinc/46/12/09/500461209.db2.gz WYOQHTPPLFSSQO-IEBWSBKVSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038157 500461212 /nfs/dbraw/zinc/46/12/12/500461212.db2.gz WYOQHTPPLFSSQO-IEBWSBKVSA-N 2 1 365.477 3.491 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424284231 500481172 /nfs/dbraw/zinc/48/11/72/500481172.db2.gz DCWQSOAKKUMYRV-RTBURBONSA-N 2 1 369.553 3.278 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289015 500481801 /nfs/dbraw/zinc/48/18/01/500481801.db2.gz LGAKHOHVPHNCHT-IBGZPJMESA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2ccccc2c1 ZINC000424292130 500482524 /nfs/dbraw/zinc/48/25/24/500482524.db2.gz OCRPFMINDWNQRU-ZWKOTPCHSA-N 2 1 365.521 3.481 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302311 500483901 /nfs/dbraw/zinc/48/39/01/500483901.db2.gz ZENLGYSJKQAOPW-CQSZACIVSA-N 2 1 365.905 3.060 20 0 FGADMP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428231482 500484640 /nfs/dbraw/zinc/48/46/40/500484640.db2.gz WFYSKYQVDHSCOI-PWRODBHTSA-N 2 1 357.542 3.183 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432364353 500505635 /nfs/dbraw/zinc/50/56/35/500505635.db2.gz HVHKXCLIAHNSFR-INIZCTEOSA-N 2 1 374.504 3.219 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432364353 500505638 /nfs/dbraw/zinc/50/56/38/500505638.db2.gz HVHKXCLIAHNSFR-INIZCTEOSA-N 2 1 374.504 3.219 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425334 500514656 /nfs/dbraw/zinc/51/46/56/500514656.db2.gz MFGLZJRNZOHUKO-BEFAXECRSA-N 2 1 361.486 3.321 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420902293 500526174 /nfs/dbraw/zinc/52/61/74/500526174.db2.gz MIYAMSRMKYMLDT-UHFFFAOYSA-N 3 1 359.558 3.073 20 0 FGADMP C[C@@H]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420904574 500527110 /nfs/dbraw/zinc/52/71/10/500527110.db2.gz PUHOLOJVYHZYRE-KMFTYDHNSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917558 500530078 /nfs/dbraw/zinc/53/00/78/500530078.db2.gz SODFPRGLSKBYNG-UHFFFAOYSA-N 2 1 362.514 3.073 20 0 FGADMP C[N@@H+](CCCC(=O)OC(C)(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420917558 500530081 /nfs/dbraw/zinc/53/00/81/500530081.db2.gz SODFPRGLSKBYNG-UHFFFAOYSA-N 2 1 362.514 3.073 20 0 FGADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000420960892 500542295 /nfs/dbraw/zinc/54/22/95/500542295.db2.gz IDOVNWWVVJHGDZ-PKTZIBPZSA-N 2 1 365.521 3.054 20 0 FGADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1c1ccccc1 ZINC000420960886 500542804 /nfs/dbraw/zinc/54/28/04/500542804.db2.gz IDOVNWWVVJHGDZ-DHIUTWEWSA-N 2 1 365.521 3.054 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)nc1 ZINC000447345935 500594431 /nfs/dbraw/zinc/59/44/31/500594431.db2.gz SHRBXCMBEDJWRN-LJQANCHMSA-N 2 1 358.530 3.163 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@](C)([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000447446137 500607013 /nfs/dbraw/zinc/60/70/13/500607013.db2.gz HSKUUMHSNCMBDS-DRSNIGMVSA-N 2 1 367.493 3.108 20 0 FGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCCC1 ZINC000433061958 500616604 /nfs/dbraw/zinc/61/66/04/500616604.db2.gz MRVCEXPXCBCAGS-UHFFFAOYSA-N 2 1 369.553 3.377 20 0 FGADMP C[N@H+](Cc1cc(C(F)(F)F)n[nH]1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000442844970 500633968 /nfs/dbraw/zinc/63/39/68/500633968.db2.gz XCQYPMUEMNGYAD-UHFFFAOYSA-N 2 1 353.392 3.172 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442878613 500638991 /nfs/dbraw/zinc/63/89/91/500638991.db2.gz ZJJGRWAFISJUCL-SFHVURJKSA-N 2 1 374.573 3.143 20 0 FGADMP NC(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433180904 500640606 /nfs/dbraw/zinc/64/06/06/500640606.db2.gz WIQAAHJGAZQBGU-OAQYLSRUSA-N 2 1 363.505 3.201 20 0 FGADMP C[NH+](C)[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)c1ccccc1 ZINC000447723813 500653121 /nfs/dbraw/zinc/65/31/21/500653121.db2.gz RHMLFWAFJUYKOM-OALUTQOASA-N 2 1 353.466 3.313 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000443068432 500673366 /nfs/dbraw/zinc/67/33/66/500673366.db2.gz ICYDEVAZMQAYDN-GFCCVEGCSA-N 2 1 354.376 3.316 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)c2)CCO1 ZINC000433341865 500676732 /nfs/dbraw/zinc/67/67/32/500676732.db2.gz UQOWIKVXAVLGQI-MRXNPFEDSA-N 2 1 366.465 3.180 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)c2)CCO1 ZINC000433341865 500676735 /nfs/dbraw/zinc/67/67/35/500676735.db2.gz UQOWIKVXAVLGQI-MRXNPFEDSA-N 2 1 366.465 3.180 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000448138087 500722197 /nfs/dbraw/zinc/72/21/97/500722197.db2.gz RHPMUUHPYOUMQQ-SJLPKXTDSA-N 2 1 364.534 3.082 20 0 FGADMP Cc1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)s1 ZINC000443616873 500745778 /nfs/dbraw/zinc/74/57/78/500745778.db2.gz UCRWTVXJEFNMEO-UHFFFAOYSA-N 2 1 364.603 3.388 20 0 FGADMP Cc1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c(C)s1 ZINC000443616873 500745780 /nfs/dbraw/zinc/74/57/80/500745780.db2.gz UCRWTVXJEFNMEO-UHFFFAOYSA-N 2 1 364.603 3.388 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)CC1 ZINC000443640858 500748986 /nfs/dbraw/zinc/74/89/86/500748986.db2.gz OHDRRFHITRLLJQ-JOCHJYFZSA-N 2 1 371.569 3.464 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186654 500752009 /nfs/dbraw/zinc/75/20/09/500752009.db2.gz HIORQGITQGQRBR-GMAHTHKFSA-N 2 1 368.521 3.318 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186654 500752012 /nfs/dbraw/zinc/75/20/12/500752012.db2.gz HIORQGITQGQRBR-GMAHTHKFSA-N 2 1 368.521 3.318 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC(C)(C)C1 ZINC000443991819 500788597 /nfs/dbraw/zinc/78/85/97/500788597.db2.gz VKZOXSRYKKNWGD-ZWKOTPCHSA-N 2 1 359.562 3.171 20 0 FGADMP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509319 500794969 /nfs/dbraw/zinc/79/49/69/500794969.db2.gz OLAISKDSGYRVLI-WIYYLYMNSA-N 2 1 373.541 3.070 20 0 FGADMP C[NH+](C)C1(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000438532588 500797966 /nfs/dbraw/zinc/79/79/66/500797966.db2.gz WEYRCCYPNUOMGT-UHFFFAOYSA-N 2 1 365.521 3.289 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000438573075 500803807 /nfs/dbraw/zinc/80/38/07/500803807.db2.gz WBAOLQHVEZBMOC-KRWDZBQOSA-N 2 1 351.494 3.176 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000438573075 500803810 /nfs/dbraw/zinc/80/38/10/500803810.db2.gz WBAOLQHVEZBMOC-KRWDZBQOSA-N 2 1 351.494 3.176 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000434572717 500861877 /nfs/dbraw/zinc/86/18/77/500861877.db2.gz CMRXRSXYEGTLTH-UHFFFAOYSA-N 2 1 372.538 3.098 20 0 FGADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1cccs1)[N@H+]1CCCC[C@@H]1C ZINC000439177350 500866531 /nfs/dbraw/zinc/86/65/31/500866531.db2.gz LEYIMLYOUWIEEI-DLBZAZTESA-N 2 1 366.575 3.084 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000439215965 500870893 /nfs/dbraw/zinc/87/08/93/500870893.db2.gz NUFWADJQUXYYQM-PMXSJFBMSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000439215965 500870896 /nfs/dbraw/zinc/87/08/96/500870896.db2.gz NUFWADJQUXYYQM-PMXSJFBMSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000439215965 500870898 /nfs/dbraw/zinc/87/08/98/500870898.db2.gz NUFWADJQUXYYQM-PMXSJFBMSA-N 2 1 370.541 3.090 20 0 FGADMP COc1cc2ccccc2cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449033945 500906134 /nfs/dbraw/zinc/90/61/34/500906134.db2.gz BIVQGDZNFKPJTG-GCJKJVERSA-N 2 1 367.537 3.306 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449033945 500906136 /nfs/dbraw/zinc/90/61/36/500906136.db2.gz BIVQGDZNFKPJTG-GCJKJVERSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(N(C)C)nc2)CC1 ZINC000449072760 500916857 /nfs/dbraw/zinc/91/68/57/500916857.db2.gz GLQYOYOSVYYGRO-SFHVURJKSA-N 2 1 352.526 3.333 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449106383 500926099 /nfs/dbraw/zinc/92/60/99/500926099.db2.gz LQUJAIZXVDSNMZ-MRXNPFEDSA-N 2 1 371.294 3.276 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OCc1ccncc1 ZINC000435378951 500963961 /nfs/dbraw/zinc/96/39/61/500963961.db2.gz KTGBLEXNEQOJGO-APWZRJJASA-N 2 1 355.482 3.228 20 0 FGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000435384751 500965215 /nfs/dbraw/zinc/96/52/15/500965215.db2.gz OCTHJQZMQKMVHM-QGZVFWFLSA-N 2 1 350.466 3.482 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(C)o2)C1 ZINC000435384751 500965216 /nfs/dbraw/zinc/96/52/16/500965216.db2.gz OCTHJQZMQKMVHM-QGZVFWFLSA-N 2 1 350.466 3.482 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(F)cc(Br)c2)CCCO1 ZINC000449283297 500965665 /nfs/dbraw/zinc/96/56/65/500965665.db2.gz LCWQXZXICOUUCM-ZDUSSCGKSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(F)cc(Br)c2)CCCO1 ZINC000449283297 500965666 /nfs/dbraw/zinc/96/56/66/500965666.db2.gz LCWQXZXICOUUCM-ZDUSSCGKSA-N 2 1 359.283 3.179 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@@H]12 ZINC000435388653 500966188 /nfs/dbraw/zinc/96/61/88/500966188.db2.gz IHNUVQOLCZVWPS-DUXKGJEZSA-N 2 1 359.477 3.103 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000449314497 500974187 /nfs/dbraw/zinc/97/41/87/500974187.db2.gz RDXIJUPENXMQRL-LAUBAEHRSA-N 2 1 352.526 3.483 20 0 FGADMP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435436913 500976846 /nfs/dbraw/zinc/97/68/46/500976846.db2.gz IJDBPCSDVUTKJV-HNNXBMFYSA-N 2 1 352.404 3.465 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(F)c1Br ZINC000449323905 500977414 /nfs/dbraw/zinc/97/74/14/500977414.db2.gz BNVXWCUSTYELMY-UHFFFAOYSA-N 2 1 372.326 3.046 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562895 500992823 /nfs/dbraw/zinc/99/28/23/500992823.db2.gz JTYXHTORWCAZIB-JZXOWHBKSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494510 501018051 /nfs/dbraw/zinc/01/80/51/501018051.db2.gz GQSXTIPQZBXYST-VXKWHMMOSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494510 501018053 /nfs/dbraw/zinc/01/80/53/501018053.db2.gz GQSXTIPQZBXYST-VXKWHMMOSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@@H](C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494510 501018057 /nfs/dbraw/zinc/01/80/57/501018057.db2.gz GQSXTIPQZBXYST-VXKWHMMOSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@@H](C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494510 501018060 /nfs/dbraw/zinc/01/80/60/501018060.db2.gz GQSXTIPQZBXYST-VXKWHMMOSA-N 2 1 371.569 3.446 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000435894238 501042858 /nfs/dbraw/zinc/04/28/58/501042858.db2.gz UHTDECPQXNDGEW-NQSCKRDGSA-N 2 1 355.526 3.067 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC000435894633 501042950 /nfs/dbraw/zinc/04/29/50/501042950.db2.gz WKPVYCDZDSRVPT-VQIMIIECSA-N 2 1 363.527 3.044 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000449735367 501071527 /nfs/dbraw/zinc/07/15/27/501071527.db2.gz QMQHPXPKXPLELG-FCHUYYIVSA-N 2 1 363.505 3.143 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000449748917 501074907 /nfs/dbraw/zinc/07/49/07/501074907.db2.gz DBXHJXBGSRBQIE-FQEVSTJZSA-N 2 1 351.494 3.189 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449751424 501075534 /nfs/dbraw/zinc/07/55/34/501075534.db2.gz YIPDTOMPDNREFW-HSALFYBXSA-N 2 1 351.494 3.481 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449751424 501075539 /nfs/dbraw/zinc/07/55/39/501075539.db2.gz YIPDTOMPDNREFW-HSALFYBXSA-N 2 1 351.494 3.481 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1cccc(Cl)c1 ZINC000441189362 501100490 /nfs/dbraw/zinc/10/04/90/501100490.db2.gz OAVHOXITDIURDO-NZSAHSFTSA-N 2 1 352.906 3.292 20 0 FGADMP CC(C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200280 501102642 /nfs/dbraw/zinc/10/26/42/501102642.db2.gz CCLDNAOGIFKIBI-FNAHDJPLSA-N 2 1 364.574 3.120 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253101 501109212 /nfs/dbraw/zinc/10/92/12/501109212.db2.gz XGMBUJAAFYNQDR-BPQIPLTHSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253101 501109215 /nfs/dbraw/zinc/10/92/15/501109215.db2.gz XGMBUJAAFYNQDR-BPQIPLTHSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOc1cccc2ccccc21 ZINC000441260057 501109805 /nfs/dbraw/zinc/10/98/05/501109805.db2.gz FKUPLLGMJBIPHZ-SYYKKAFVSA-N 2 1 354.494 3.402 20 0 FGADMP C[N@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@H]1CCCC[NH+]1C ZINC000441367101 501128202 /nfs/dbraw/zinc/12/82/02/501128202.db2.gz GZCGHAOTPHNDTP-CTNGQTDRSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@H]1CCCC[N@@H+]1C ZINC000441367101 501128204 /nfs/dbraw/zinc/12/82/04/501128204.db2.gz GZCGHAOTPHNDTP-CTNGQTDRSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+](CCC(=O)N[C@H]1CCCc2ccccc21)CC[C@H]1CCCC[N@H+]1C ZINC000441367101 501128206 /nfs/dbraw/zinc/12/82/06/501128206.db2.gz GZCGHAOTPHNDTP-CTNGQTDRSA-N 2 1 357.542 3.377 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000450550287 501152160 /nfs/dbraw/zinc/15/21/60/501152160.db2.gz BNOHAEQEJUBJAO-UHFFFAOYSA-N 2 1 363.933 3.025 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCC1 ZINC000611639498 506238724 /nfs/dbraw/zinc/23/87/24/506238724.db2.gz DZLGKWZAUSANEP-MSOLQXFVSA-N 2 1 364.534 3.082 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000450941492 501233862 /nfs/dbraw/zinc/23/38/62/501233862.db2.gz PWFCGWDFHSERNK-FGZHOGPDSA-N 2 1 352.522 3.480 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000450941492 501233864 /nfs/dbraw/zinc/23/38/64/501233864.db2.gz PWFCGWDFHSERNK-FGZHOGPDSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219740 501294016 /nfs/dbraw/zinc/29/40/16/501294016.db2.gz TVTRVTKXXFPRFX-ZWKOTPCHSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cc(-c2ccccc2)nn1C ZINC000453219740 501294017 /nfs/dbraw/zinc/29/40/17/501294017.db2.gz TVTRVTKXXFPRFX-ZWKOTPCHSA-N 2 1 356.514 3.239 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1 ZINC000455614009 501347560 /nfs/dbraw/zinc/34/75/60/501347560.db2.gz HANWFMXWKBKXGZ-SFHVURJKSA-N 2 1 367.453 3.076 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455626468 501350782 /nfs/dbraw/zinc/35/07/82/501350782.db2.gz YKNDBIFRXBMCGA-RTBURBONSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455626468 501350784 /nfs/dbraw/zinc/35/07/84/501350784.db2.gz YKNDBIFRXBMCGA-RTBURBONSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455626468 501350786 /nfs/dbraw/zinc/35/07/86/501350786.db2.gz YKNDBIFRXBMCGA-RTBURBONSA-N 2 1 372.557 3.165 20 0 FGADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)cn2cc[nH+]c12 ZINC000455671866 501361197 /nfs/dbraw/zinc/36/11/97/501361197.db2.gz XGAHSZFARZIODE-UHFFFAOYSA-N 2 1 369.444 3.378 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000458481505 501454441 /nfs/dbraw/zinc/45/44/41/501454441.db2.gz DADXPDMJFQDFKR-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)C[C@@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458555127 501473343 /nfs/dbraw/zinc/47/33/43/501473343.db2.gz LZPFAAHULZYSNT-ZIBCJSCZSA-N 2 1 372.557 3.097 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452454622 501504017 /nfs/dbraw/zinc/50/40/17/501504017.db2.gz VELJJDZDAIOMLH-QFIPXVFZSA-N 2 1 371.569 3.476 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454316952 501511884 /nfs/dbraw/zinc/51/18/84/501511884.db2.gz HWRPUZXWUBULDE-HDICACEKSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)[NH+](C)C ZINC000458763176 501525882 /nfs/dbraw/zinc/52/58/82/501525882.db2.gz IIQOAELESJXOOA-BLIXFSHQSA-N 2 1 372.557 3.112 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646026 501600244 /nfs/dbraw/zinc/60/02/44/501600244.db2.gz PIZAEXDZFVMQPG-SJORKVTESA-N 2 1 352.567 3.011 20 0 FGADMP CCN(C(=O)NCCCC[NH+](C)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459167018 501607283 /nfs/dbraw/zinc/60/72/83/501607283.db2.gz UCMWTMODWQDELQ-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCCCC[N@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459167018 501607285 /nfs/dbraw/zinc/60/72/85/501607285.db2.gz UCMWTMODWQDELQ-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CCN(C(=O)NCCCC[N@@H+](C)C1CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459167018 501607287 /nfs/dbraw/zinc/60/72/87/501607287.db2.gz UCMWTMODWQDELQ-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268273 501622230 /nfs/dbraw/zinc/62/22/30/501622230.db2.gz SBFJJYOAUXXWHQ-UXHICEINSA-N 2 1 364.578 3.016 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000459327849 501631660 /nfs/dbraw/zinc/63/16/60/501631660.db2.gz XVCKWPQJIQBOHJ-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357341 501638315 /nfs/dbraw/zinc/63/83/15/501638315.db2.gz CUJBKQICJHYNAI-WOJBJXKFSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357341 501638317 /nfs/dbraw/zinc/63/83/17/501638317.db2.gz CUJBKQICJHYNAI-WOJBJXKFSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459410960 501649106 /nfs/dbraw/zinc/64/91/06/501649106.db2.gz PMGARKDNNXRYJM-BEFAXECRSA-N 2 1 352.482 3.060 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC([NH+](C)Cc4ccccc4)C3)sc2C1 ZINC000459597588 501684029 /nfs/dbraw/zinc/68/40/29/501684029.db2.gz VJXWFLHOACJSOJ-UHFFFAOYSA-N 2 1 370.566 3.226 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC([N@H+](C)Cc4ccccc4)C3)sc2C1 ZINC000459597588 501684030 /nfs/dbraw/zinc/68/40/30/501684030.db2.gz VJXWFLHOACJSOJ-UHFFFAOYSA-N 2 1 370.566 3.226 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN3CC([N@@H+](C)Cc4ccccc4)C3)sc2C1 ZINC000459597588 501684031 /nfs/dbraw/zinc/68/40/31/501684031.db2.gz VJXWFLHOACJSOJ-UHFFFAOYSA-N 2 1 370.566 3.226 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738336 501706642 /nfs/dbraw/zinc/70/66/42/501706642.db2.gz RQKKARYZFHSBRC-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC(C)(C)C1 ZINC000459744459 501707553 /nfs/dbraw/zinc/70/75/53/501707553.db2.gz RKFJWGWWMNHWBQ-UHFFFAOYSA-N 2 1 361.555 3.294 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500241 501711704 /nfs/dbraw/zinc/71/17/04/501711704.db2.gz XHJXBWHNIDUNOL-DLBZAZTESA-N 2 1 364.559 3.009 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000474172862 501729747 /nfs/dbraw/zinc/72/97/47/501729747.db2.gz SVYJUBDBGZPZNF-NPPFBWRTSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000474172862 501729753 /nfs/dbraw/zinc/72/97/53/501729753.db2.gz SVYJUBDBGZPZNF-NPPFBWRTSA-N 2 1 365.521 3.241 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)c1 ZINC000474306437 501784804 /nfs/dbraw/zinc/78/48/04/501784804.db2.gz QWAYNVUOWPDUAU-UHFFFAOYSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346833 501797679 /nfs/dbraw/zinc/79/76/79/501797679.db2.gz IARJMTWCGLNALI-RTBURBONSA-N 2 1 371.569 3.429 20 0 FGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000460343617 501797849 /nfs/dbraw/zinc/79/78/49/501797849.db2.gz PJNGWPVNBMVOCJ-IYWMVGAKSA-N 2 1 371.569 3.237 20 0 FGADMP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382869 501809975 /nfs/dbraw/zinc/80/99/75/501809975.db2.gz VJPKKQPMZDOYGX-RXVVDRJESA-N 2 1 353.510 3.407 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)CCC[NH+]1CCCC1 ZINC000467514329 501813274 /nfs/dbraw/zinc/81/32/74/501813274.db2.gz QNMAYIOKAMXGQD-UHFFFAOYSA-N 2 1 360.454 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000467514329 501813281 /nfs/dbraw/zinc/81/32/81/501813281.db2.gz QNMAYIOKAMXGQD-UHFFFAOYSA-N 2 1 360.454 3.146 20 0 FGADMP CC(C)[C@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485473342 501831126 /nfs/dbraw/zinc/83/11/26/501831126.db2.gz GNEFRLHYBPITAZ-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP O[C@@]1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000481664191 501842910 /nfs/dbraw/zinc/84/29/10/501842910.db2.gz WJAIYBHJCINBIJ-FGZHOGPDSA-N 2 1 351.494 3.149 20 0 FGADMP O[C@@]1(C[NH2+][C@@H](c2cccnc2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000481664191 501842913 /nfs/dbraw/zinc/84/29/13/501842913.db2.gz WJAIYBHJCINBIJ-FGZHOGPDSA-N 2 1 351.494 3.149 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458776451 501869934 /nfs/dbraw/zinc/86/99/34/501869934.db2.gz NLTSJHTXULOFDN-HKUYNNGSSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)c1 ZINC000474619188 501897031 /nfs/dbraw/zinc/89/70/31/501897031.db2.gz DKXKPACFADWCRU-UHFFFAOYSA-N 2 1 364.497 3.007 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000481922899 501920590 /nfs/dbraw/zinc/92/05/90/501920590.db2.gz ODUIIKRQOJDINB-MRXNPFEDSA-N 2 1 371.491 3.500 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000468018780 501931153 /nfs/dbraw/zinc/93/11/53/501931153.db2.gz BKFFWCVILANQLB-DBVUQKKJSA-N 2 1 362.514 3.245 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000468018780 501931157 /nfs/dbraw/zinc/93/11/57/501931157.db2.gz BKFFWCVILANQLB-DBVUQKKJSA-N 2 1 362.514 3.245 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787947 501937094 /nfs/dbraw/zinc/93/70/94/501937094.db2.gz QQVVJCACVGHVAW-RDJZCZTQSA-N 2 1 367.497 3.113 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2cccnc2)C2CCC2)C1 ZINC000481995836 501939890 /nfs/dbraw/zinc/93/98/90/501939890.db2.gz XOOBCOOFZMMNDA-FCHUYYIVSA-N 2 1 351.494 3.279 20 0 FGADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCCC1 ZINC000468152528 501974635 /nfs/dbraw/zinc/97/46/35/501974635.db2.gz JKQTXMBKMJPISO-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000482146949 501989827 /nfs/dbraw/zinc/98/98/27/501989827.db2.gz QJYPHNDMFWYOME-ZWKOTPCHSA-N 2 1 361.530 3.432 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475009722 502020158 /nfs/dbraw/zinc/02/01/58/502020158.db2.gz SCLGFRCHMNYWJV-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475037622 502030850 /nfs/dbraw/zinc/03/08/50/502030850.db2.gz FSROFTIZVCCJCZ-STZQEDGTSA-N 2 1 365.521 3.284 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473522 502071324 /nfs/dbraw/zinc/07/13/24/502071324.db2.gz XWJGXSZJSHFWFS-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473522 502071329 /nfs/dbraw/zinc/07/13/29/502071329.db2.gz XWJGXSZJSHFWFS-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000468473522 502071331 /nfs/dbraw/zinc/07/13/31/502071331.db2.gz XWJGXSZJSHFWFS-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000468473522 502071336 /nfs/dbraw/zinc/07/13/36/502071336.db2.gz XWJGXSZJSHFWFS-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000471615276 502088693 /nfs/dbraw/zinc/08/86/93/502088693.db2.gz QRMNGGYALXWZIX-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000471615276 502088699 /nfs/dbraw/zinc/08/86/99/502088699.db2.gz QRMNGGYALXWZIX-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000471615276 502088701 /nfs/dbraw/zinc/08/87/01/502088701.db2.gz QRMNGGYALXWZIX-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000461429405 502111114 /nfs/dbraw/zinc/11/11/14/502111114.db2.gz OAKJDMQRUKKGOE-NJKFVAIMSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429405 502111118 /nfs/dbraw/zinc/11/11/18/502111118.db2.gz OAKJDMQRUKKGOE-NJKFVAIMSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429405 502111121 /nfs/dbraw/zinc/11/11/21/502111121.db2.gz OAKJDMQRUKKGOE-NJKFVAIMSA-N 2 1 369.553 3.228 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000461543421 502141242 /nfs/dbraw/zinc/14/12/42/502141242.db2.gz CHQQQBLQDFKJGR-KRWDZBQOSA-N 2 1 363.571 3.086 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000471840390 502150993 /nfs/dbraw/zinc/15/09/93/502150993.db2.gz SRZWNRKTEOSRLY-ICSRJNTNSA-N 2 1 371.550 3.036 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000471840390 502150996 /nfs/dbraw/zinc/15/09/96/502150996.db2.gz SRZWNRKTEOSRLY-ICSRJNTNSA-N 2 1 371.550 3.036 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000482740263 502165995 /nfs/dbraw/zinc/16/59/95/502165995.db2.gz IDHDCJZUXIOPQE-MOPGFXCFSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000461716690 502176724 /nfs/dbraw/zinc/17/67/24/502176724.db2.gz QBPYJMQNMIYXTR-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207209 502192950 /nfs/dbraw/zinc/19/29/50/502192950.db2.gz IQYPZPDEMRRHKF-MAODMQOUSA-N 2 1 369.484 3.037 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461790082 502201466 /nfs/dbraw/zinc/20/14/66/502201466.db2.gz GYVYOEMTVVTZPL-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000461790082 502201472 /nfs/dbraw/zinc/20/14/72/502201472.db2.gz GYVYOEMTVVTZPL-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000461790082 502201476 /nfs/dbraw/zinc/20/14/76/502201476.db2.gz GYVYOEMTVVTZPL-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482871321 502203954 /nfs/dbraw/zinc/20/39/54/502203954.db2.gz QSBKARJRVDDRBQ-QGZVFWFLSA-N 2 1 361.530 3.067 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000468890283 502219197 /nfs/dbraw/zinc/21/91/97/502219197.db2.gz HRIVQJZFJIWHCW-OAQYLSRUSA-N 2 1 360.546 3.024 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672250 502227157 /nfs/dbraw/zinc/22/71/57/502227157.db2.gz CBLRVOOXMKNPCK-GHTZIAJQSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672250 502227164 /nfs/dbraw/zinc/22/71/64/502227164.db2.gz CBLRVOOXMKNPCK-GHTZIAJQSA-N 2 1 367.468 3.280 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000468958883 502243320 /nfs/dbraw/zinc/24/33/20/502243320.db2.gz JMCOKQNEKDSEPH-KURKYZTESA-N 2 1 361.530 3.186 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000468958883 502243324 /nfs/dbraw/zinc/24/33/24/502243324.db2.gz JMCOKQNEKDSEPH-KURKYZTESA-N 2 1 361.530 3.186 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000461936882 502244119 /nfs/dbraw/zinc/24/41/19/502244119.db2.gz ONFLWYKSLUVRIX-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC2CCCCC2)C1 ZINC000465396176 502249317 /nfs/dbraw/zinc/24/93/17/502249317.db2.gz DCTYJHHNIWBLLZ-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000462023867 502278508 /nfs/dbraw/zinc/27/85/08/502278508.db2.gz AVZWDPPCAWYDLX-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP CCn1c(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)nc2cc(F)ccc21 ZINC000472277561 502295781 /nfs/dbraw/zinc/29/57/81/502295781.db2.gz LUBOAMCDGRCDKR-QGZVFWFLSA-N 2 1 362.493 3.128 20 0 FGADMP CCn1c(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)nc2cc(F)ccc21 ZINC000472277561 502295785 /nfs/dbraw/zinc/29/57/85/502295785.db2.gz LUBOAMCDGRCDKR-QGZVFWFLSA-N 2 1 362.493 3.128 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281881 502298308 /nfs/dbraw/zinc/29/83/08/502298308.db2.gz CTHOETFLLGUBJW-MAUKXSAKSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281881 502298312 /nfs/dbraw/zinc/29/83/12/502298312.db2.gz CTHOETFLLGUBJW-MAUKXSAKSA-N 2 1 367.921 3.100 20 0 FGADMP CC(C)c1cc(N[C@H](C[NH+]2CCCC2)c2ccccc2)nc(N(C)C)[nH+]1 ZINC000462095947 502305474 /nfs/dbraw/zinc/30/54/74/502305474.db2.gz XXVKIQOZGITYKL-LJQANCHMSA-N 2 1 353.514 3.337 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000465555470 502306532 /nfs/dbraw/zinc/30/65/32/502306532.db2.gz XKTCWXXKYBJZBL-RXVVDRJESA-N 2 1 372.557 3.200 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C/C=C/c2ccncc2)[C@@H](c2ccccc2)C1 ZINC000486930009 502307277 /nfs/dbraw/zinc/30/72/77/502307277.db2.gz QNLVLKCLCRBZAQ-YHCZKZFASA-N 2 1 350.510 3.063 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602805785 506305713 /nfs/dbraw/zinc/30/57/13/506305713.db2.gz QDDUBYPXRBPAQT-OAHLLOKOSA-N 2 1 351.491 3.356 20 0 FGADMP CC(C)c1cc(NC2CC[NH+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000462116348 502312651 /nfs/dbraw/zinc/31/26/51/502312651.db2.gz HQXIYNTYFPMTQF-UHFFFAOYSA-N 2 1 353.514 3.164 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000465575865 502312989 /nfs/dbraw/zinc/31/29/89/502312989.db2.gz QXRRYPNKXUZCFB-WIYYLYMNSA-N 2 1 372.557 3.200 20 0 FGADMP CC[C@@H]1CCCC[C@@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465669272 502341663 /nfs/dbraw/zinc/34/16/63/502341663.db2.gz WJUSKEUDBXWUAU-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1)Nc1cccc(F)c1 ZINC000479699728 502348547 /nfs/dbraw/zinc/34/85/47/502348547.db2.gz KXDMFQQAUSVHSE-KRWDZBQOSA-N 2 1 362.493 3.049 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1)c1ccsc1 ZINC000487103826 502359888 /nfs/dbraw/zinc/35/98/88/502359888.db2.gz OCAHUIGCEQBMAI-QZTJIDSGSA-N 2 1 366.575 3.113 20 0 FGADMP C[N@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596206550 506308915 /nfs/dbraw/zinc/30/89/15/506308915.db2.gz OUZGTFORLRNARW-OAHLLOKOSA-N 2 1 358.486 3.195 20 0 FGADMP C[N@@H+](CC(=O)OC(C)(C)C)[C@@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596206550 506308921 /nfs/dbraw/zinc/30/89/21/506308921.db2.gz OUZGTFORLRNARW-OAHLLOKOSA-N 2 1 358.486 3.195 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465758091 502374323 /nfs/dbraw/zinc/37/43/23/502374323.db2.gz PDUIBSBLLFKXDL-NRSPTQNISA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000465769585 502378907 /nfs/dbraw/zinc/37/89/07/502378907.db2.gz HNXCNSCAESQKIH-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469345096 502382371 /nfs/dbraw/zinc/38/23/71/502382371.db2.gz QSUMMIYKEGBINK-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000469345096 502382377 /nfs/dbraw/zinc/38/23/77/502382377.db2.gz QSUMMIYKEGBINK-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000469345096 502382383 /nfs/dbraw/zinc/38/23/83/502382383.db2.gz QSUMMIYKEGBINK-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000469383453 502393997 /nfs/dbraw/zinc/39/39/97/502393997.db2.gz IUMMAIYLGNZEQB-FHLIZLRMSA-N 2 1 360.889 3.249 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822363 502395949 /nfs/dbraw/zinc/39/59/49/502395949.db2.gz VZOOWROLOMBKJP-SFTDATJTSA-N 2 1 372.557 3.161 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000465861477 502405974 /nfs/dbraw/zinc/40/59/74/502405974.db2.gz DLWUKLLFEUWHNQ-AABGKKOBSA-N 2 1 364.578 3.298 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000465861477 502405980 /nfs/dbraw/zinc/40/59/80/502405980.db2.gz DLWUKLLFEUWHNQ-AABGKKOBSA-N 2 1 364.578 3.298 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000465861477 502405983 /nfs/dbraw/zinc/40/59/83/502405983.db2.gz DLWUKLLFEUWHNQ-AABGKKOBSA-N 2 1 364.578 3.298 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465875694 502410236 /nfs/dbraw/zinc/41/02/36/502410236.db2.gz TVKAJQNDVDCFCW-IBGZPJMESA-N 2 1 352.567 3.062 20 0 FGADMP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588691457 506312799 /nfs/dbraw/zinc/31/27/99/506312799.db2.gz NYEYWPBCNBJNIL-CTNGQTDRSA-N 2 1 355.526 3.276 20 0 FGADMP CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588691457 506312802 /nfs/dbraw/zinc/31/28/02/506312802.db2.gz NYEYWPBCNBJNIL-CTNGQTDRSA-N 2 1 355.526 3.276 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000469496934 502439953 /nfs/dbraw/zinc/43/99/53/502439953.db2.gz BADCHRYIPMSPBM-HXUWFJFHSA-N 2 1 357.542 3.062 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466042100 502464286 /nfs/dbraw/zinc/46/42/86/502464286.db2.gz XNRWRFBOHMIXEG-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042100 502464291 /nfs/dbraw/zinc/46/42/91/502464291.db2.gz XNRWRFBOHMIXEG-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042100 502464294 /nfs/dbraw/zinc/46/42/94/502464294.db2.gz XNRWRFBOHMIXEG-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1cccc(NCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH+]1 ZINC000469572745 502467587 /nfs/dbraw/zinc/46/75/87/502467587.db2.gz MYXPXGVPSMKLEF-UHFFFAOYSA-N 2 1 352.482 3.218 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000472932995 502475239 /nfs/dbraw/zinc/47/52/39/502475239.db2.gz JMQKFZKCGHGWCD-UHFFFAOYSA-N 2 1 360.546 3.204 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000483795825 502495084 /nfs/dbraw/zinc/49/50/84/502495084.db2.gz BMKWXYQISHFTDE-IPMKNSEASA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000483795825 502495090 /nfs/dbraw/zinc/49/50/90/502495090.db2.gz BMKWXYQISHFTDE-IPMKNSEASA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000483795825 502495094 /nfs/dbraw/zinc/49/50/94/502495094.db2.gz BMKWXYQISHFTDE-IPMKNSEASA-N 2 1 352.567 3.155 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)[C@H](C)C2)C1 ZINC000483799113 502495746 /nfs/dbraw/zinc/49/57/46/502495746.db2.gz KVJWZLKSAIHXKG-GUDVDZBRSA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)C1 ZINC000483799113 502495751 /nfs/dbraw/zinc/49/57/51/502495751.db2.gz KVJWZLKSAIHXKG-GUDVDZBRSA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)C1 ZINC000483799113 502495754 /nfs/dbraw/zinc/49/57/54/502495754.db2.gz KVJWZLKSAIHXKG-GUDVDZBRSA-N 2 1 366.594 3.401 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@H+]1Cc1ccccc1 ZINC000480305815 502532070 /nfs/dbraw/zinc/53/20/70/502532070.db2.gz GNWWSQNXVYFHEL-IEBWSBKVSA-N 2 1 355.530 3.423 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000469753390 502532530 /nfs/dbraw/zinc/53/25/30/502532530.db2.gz SNYFCEOLCJUSKG-IRXDYDNUSA-N 2 1 371.447 3.299 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000483966665 502535478 /nfs/dbraw/zinc/53/54/78/502535478.db2.gz XMKAMLGACNZAIL-OAQYLSRUSA-N 2 1 356.514 3.113 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000469763006 502536518 /nfs/dbraw/zinc/53/65/18/502536518.db2.gz FUPHNHLTRGZEOG-KNQAVFIVSA-N 2 1 370.541 3.158 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000469763006 502536520 /nfs/dbraw/zinc/53/65/20/502536520.db2.gz FUPHNHLTRGZEOG-KNQAVFIVSA-N 2 1 370.541 3.158 20 0 FGADMP Cc1cc(Br)cn2c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cnc12 ZINC000469850833 502568463 /nfs/dbraw/zinc/56/84/63/502568463.db2.gz JCBAUEDDOGWWJS-HNNXBMFYSA-N 2 1 353.308 3.210 20 0 FGADMP Cc1cc(Br)cn2c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cnc12 ZINC000469850833 502568464 /nfs/dbraw/zinc/56/84/64/502568464.db2.gz JCBAUEDDOGWWJS-HNNXBMFYSA-N 2 1 353.308 3.210 20 0 FGADMP Cc1cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)ccc1OCC[NH+]1CCCC1 ZINC000469869167 502576133 /nfs/dbraw/zinc/57/61/33/502576133.db2.gz CJIHMNBPLIJJOR-HDICACEKSA-N 2 1 359.514 3.281 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484128132 502576653 /nfs/dbraw/zinc/57/66/53/502576653.db2.gz INHCWOBDOLMSGY-PGRDOPGGSA-N 2 1 354.494 3.373 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484128132 502576657 /nfs/dbraw/zinc/57/66/57/502576657.db2.gz INHCWOBDOLMSGY-PGRDOPGGSA-N 2 1 354.494 3.373 20 0 FGADMP COc1ccc2c(c1)[C@H](N[C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000484148579 502584702 /nfs/dbraw/zinc/58/47/02/502584702.db2.gz USTDFWCCOAVALF-AJSBUHFISA-N 2 1 366.505 3.155 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019065 502602267 /nfs/dbraw/zinc/60/22/67/502602267.db2.gz WDKYZMQFZYPNIJ-LVCYWYKZSA-N 2 1 364.578 3.013 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](CCC(F)(F)F)CC3)c2)C1 ZINC000462866503 502604950 /nfs/dbraw/zinc/60/49/50/502604950.db2.gz NBWOKGNVEMVMFP-GOSISDBHSA-N 2 1 371.447 3.082 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604389 502617848 /nfs/dbraw/zinc/61/78/48/502617848.db2.gz BEFMDXKCVOWCDJ-AEFFLSMTSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN(C)CC(F)(F)F ZINC000480604389 502617853 /nfs/dbraw/zinc/61/78/53/502617853.db2.gz BEFMDXKCVOWCDJ-AEFFLSMTSA-N 2 1 357.464 3.371 20 0 FGADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480613785 502621129 /nfs/dbraw/zinc/62/11/29/502621129.db2.gz QDSSITXNPVFGEB-LEWJYISDSA-N 2 1 357.542 3.379 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001531 502626535 /nfs/dbraw/zinc/62/65/35/502626535.db2.gz XLODUVWEUUCCRR-UKRRQHHQSA-N 2 1 363.303 3.194 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001531 502626541 /nfs/dbraw/zinc/62/65/41/502626541.db2.gz XLODUVWEUUCCRR-UKRRQHHQSA-N 2 1 363.303 3.194 20 0 FGADMP Cc1ccc(-c2ccc(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)s2)cc1 ZINC000470002810 502626646 /nfs/dbraw/zinc/62/66/46/502626646.db2.gz LYOVLLBOMJNQGR-KRWDZBQOSA-N 2 1 357.523 3.010 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001532 502627016 /nfs/dbraw/zinc/62/70/16/502627016.db2.gz XLODUVWEUUCCRR-ZFWWWQNUSA-N 2 1 363.303 3.194 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000470001532 502627021 /nfs/dbraw/zinc/62/70/21/502627021.db2.gz XLODUVWEUUCCRR-ZFWWWQNUSA-N 2 1 363.303 3.194 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000480679628 502640494 /nfs/dbraw/zinc/64/04/94/502640494.db2.gz VPYIKTINHZBOTH-MOUTVQLLSA-N 2 1 364.533 3.480 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000484646318 502694889 /nfs/dbraw/zinc/69/48/89/502694889.db2.gz UNXBXRNIEMERII-TZIWHRDSSA-N 2 1 372.557 3.339 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000463154325 502708360 /nfs/dbraw/zinc/70/83/60/502708360.db2.gz YWSHDGOJKZTBKS-RPHTVSPISA-N 2 1 358.526 3.133 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000470276380 502721986 /nfs/dbraw/zinc/72/19/86/502721986.db2.gz GCKSRGFVMPHTTP-RTWAWAEBSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000470276380 502721992 /nfs/dbraw/zinc/72/19/92/502721992.db2.gz GCKSRGFVMPHTTP-RTWAWAEBSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000470276380 502721998 /nfs/dbraw/zinc/72/19/98/502721998.db2.gz GCKSRGFVMPHTTP-RTWAWAEBSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000466922235 502727718 /nfs/dbraw/zinc/72/77/18/502727718.db2.gz VTROXXRYGZDGEI-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473884243 502737440 /nfs/dbraw/zinc/73/74/40/502737440.db2.gz HLSPCGOTISQTSB-ICSRJNTNSA-N 2 1 360.546 3.195 20 0 FGADMP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000484774770 502737914 /nfs/dbraw/zinc/73/79/14/502737914.db2.gz HDZMMGMTGBVVKV-KZNAEPCWSA-N 2 1 356.432 3.385 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467009228 502756647 /nfs/dbraw/zinc/75/66/47/502756647.db2.gz LUSAEOVCIQXCOT-OAQYLSRUSA-N 2 1 374.573 3.245 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000481178323 502775289 /nfs/dbraw/zinc/77/52/89/502775289.db2.gz SLJBDDOHUSTOFE-GHTZIAJQSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000481178323 502775292 /nfs/dbraw/zinc/77/52/92/502775292.db2.gz SLJBDDOHUSTOFE-GHTZIAJQSA-N 2 1 357.542 3.134 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)cc2)CC1 ZINC000474049480 502790342 /nfs/dbraw/zinc/79/03/42/502790342.db2.gz YXYPEWLMUIWVMJ-YTFSRNRJSA-N 2 1 371.569 3.119 20 0 FGADMP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000474078144 502801432 /nfs/dbraw/zinc/80/14/32/502801432.db2.gz FXWKKBUVWHGNLB-XUVXKRRUSA-N 2 1 350.547 3.206 20 0 FGADMP CCN(Cc1cccs1)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040647 502808538 /nfs/dbraw/zinc/80/85/38/502808538.db2.gz COMOMCQPLAGHCW-PKOBYXMFSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040647 502808540 /nfs/dbraw/zinc/80/85/40/502808540.db2.gz COMOMCQPLAGHCW-PKOBYXMFSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@@H+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040647 502808543 /nfs/dbraw/zinc/80/85/43/502808543.db2.gz COMOMCQPLAGHCW-PKOBYXMFSA-N 2 1 371.550 3.349 20 0 FGADMP CC[NH+](Cc1cccs1)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040647 502808547 /nfs/dbraw/zinc/80/85/47/502808547.db2.gz COMOMCQPLAGHCW-PKOBYXMFSA-N 2 1 371.550 3.349 20 0 FGADMP C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553158 502810958 /nfs/dbraw/zinc/81/09/58/502810958.db2.gz ISYJJAHSWKJVPB-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000504909986 502822382 /nfs/dbraw/zinc/82/23/82/502822382.db2.gz VLTMFIVHERCXMT-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[NH+]3C[C@H](C)C[C@@H](C)C3)CC2)n1 ZINC000513084853 502848207 /nfs/dbraw/zinc/84/82/07/502848207.db2.gz WZVSLGXZAYABOZ-BZUAXINKSA-N 2 1 350.576 3.376 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000500784934 502863410 /nfs/dbraw/zinc/86/34/10/502863410.db2.gz FFKKWSKSQXKDCR-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000500817377 502870355 /nfs/dbraw/zinc/87/03/55/502870355.db2.gz KSYOSYSOFRBRGS-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP Cn1c2ccc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc2oc1=O ZINC000513317991 502903605 /nfs/dbraw/zinc/90/36/05/502903605.db2.gz QEMHCMYNGHBQSE-UHFFFAOYSA-N 2 1 366.465 3.044 20 0 FGADMP CCCCO[C@H]1C[C@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000500985375 502906305 /nfs/dbraw/zinc/90/63/05/502906305.db2.gz RUJJJXWAEVAZCQ-PMACEKPBSA-N 2 1 353.595 3.318 20 0 FGADMP CC(C)Cc1ccc([C@@H](CNC(=O)NCC2=CC[N@@H+](C)CC2)[NH+](C)C)cc1 ZINC000513381357 502920329 /nfs/dbraw/zinc/92/03/29/502920329.db2.gz AUROQCOXIHFVND-OAQYLSRUSA-N 2 1 372.557 3.049 20 0 FGADMP C[C@H](C(=O)NC1CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501048513 502922235 /nfs/dbraw/zinc/92/22/35/502922235.db2.gz VXTOVCXKAYISEV-QGZVFWFLSA-N 2 1 358.530 3.067 20 0 FGADMP CC(C)N(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000501050647 502922368 /nfs/dbraw/zinc/92/23/68/502922368.db2.gz DTYFDWGWBZIZCA-UHFFFAOYSA-N 2 1 372.557 3.409 20 0 FGADMP CCc1ccc([C@@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392169 502924319 /nfs/dbraw/zinc/92/43/19/502924319.db2.gz MHPFZIVVOUAGPX-OAQYLSRUSA-N 2 1 371.569 3.417 20 0 FGADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501066127 502926470 /nfs/dbraw/zinc/92/64/70/502926470.db2.gz CTPIUSXMLAMSBN-QUCCMNQESA-N 2 1 372.557 3.409 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](CCCO)Cc2ccccc2)CC1 ZINC000513450208 502941948 /nfs/dbraw/zinc/94/19/48/502941948.db2.gz HIVMXDCWGHYBRE-UHFFFAOYSA-N 2 1 367.537 3.213 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505629240 502954112 /nfs/dbraw/zinc/95/41/12/502954112.db2.gz FBLAQOUXYKTJOL-DZFGPLHGSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000505629240 502954113 /nfs/dbraw/zinc/95/41/13/502954113.db2.gz FBLAQOUXYKTJOL-DZFGPLHGSA-N 2 1 351.494 3.069 20 0 FGADMP CCN(CC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)Cc1ccccc1Cl ZINC000497482272 502969289 /nfs/dbraw/zinc/96/92/89/502969289.db2.gz OREYMEQZQRQWMX-KRWDZBQOSA-N 2 1 363.933 3.295 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000489535970 502980701 /nfs/dbraw/zinc/98/07/01/502980701.db2.gz IHUJCSAPCDCFLV-ZWKOTPCHSA-N 2 1 360.546 3.289 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC3CCC(C)(C)CC3)CC2)CC1 ZINC000513643395 502989121 /nfs/dbraw/zinc/98/91/21/502989121.db2.gz UFYQPSAFWJMUCM-UHFFFAOYSA-N 2 1 363.590 3.469 20 0 FGADMP CCCN(C)c1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1 ZINC000505806128 502990106 /nfs/dbraw/zinc/99/01/06/502990106.db2.gz CEGKRXDFOVTQIE-OAQYLSRUSA-N 2 1 374.573 3.021 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2c2cc(C)no2)CC1 ZINC000509817562 502991477 /nfs/dbraw/zinc/99/14/77/502991477.db2.gz CNUMUXJTGNVYTC-HXUWFJFHSA-N 2 1 354.498 3.462 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513713836 503007389 /nfs/dbraw/zinc/00/73/89/503007389.db2.gz UQWDBYJZEPUOGU-VJBWXMMDSA-N 3 1 370.585 3.051 20 0 FGADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000513713836 503007394 /nfs/dbraw/zinc/00/73/94/503007394.db2.gz UQWDBYJZEPUOGU-VJBWXMMDSA-N 2 1 370.585 3.051 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000501497230 503021439 /nfs/dbraw/zinc/02/14/39/503021439.db2.gz WUGFHYUZWNJVKN-PMACEKPBSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000501497230 503021440 /nfs/dbraw/zinc/02/14/40/503021440.db2.gz WUGFHYUZWNJVKN-PMACEKPBSA-N 2 1 372.557 3.085 20 0 FGADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499001 503021529 /nfs/dbraw/zinc/02/15/29/503021529.db2.gz BSHMRJKPZWHYMX-SFHLNBCPSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501499000 503021762 /nfs/dbraw/zinc/02/17/62/503021762.db2.gz BSHMRJKPZWHYMX-SBHAEUEKSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000501518339 503027732 /nfs/dbraw/zinc/02/77/32/503027732.db2.gz RXXIAXXPRXZYSL-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000510005232 503028916 /nfs/dbraw/zinc/02/89/16/503028916.db2.gz MMOKXBWEZDKVJG-UHFFFAOYSA-N 2 1 365.268 3.259 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000513818805 503029685 /nfs/dbraw/zinc/02/96/85/503029685.db2.gz KMCCJLJMDNVDHG-SFHVURJKSA-N 2 1 373.541 3.010 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000501547125 503034649 /nfs/dbraw/zinc/03/46/49/503034649.db2.gz RSROJLFXCSVBMS-UYAOXDASSA-N 2 1 360.546 3.243 20 0 FGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000489798378 503038325 /nfs/dbraw/zinc/03/83/25/503038325.db2.gz XDNNYONCCWHVCV-CYBMUJFWSA-N 2 1 372.282 3.120 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc3c(c2)OCO3)CC1 ZINC000506056855 503038545 /nfs/dbraw/zinc/03/85/45/503038545.db2.gz ZDMFSMNLYUEQRT-UHFFFAOYSA-N 2 1 367.493 3.189 20 0 FGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000501573139 503041796 /nfs/dbraw/zinc/04/17/96/503041796.db2.gz GEQANMLVDHETDA-UHFFFAOYSA-N 2 1 374.573 3.414 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835706 503051546 /nfs/dbraw/zinc/05/15/46/503051546.db2.gz KEEDKSPZOZTHNG-LQWHRVPQSA-N 2 1 372.557 3.302 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000514032291 503071846 /nfs/dbraw/zinc/07/18/46/503071846.db2.gz FEUVHASHBGHRRH-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055291 503097136 /nfs/dbraw/zinc/09/71/36/503097136.db2.gz ODIIOLTZGVYFAG-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055291 503097139 /nfs/dbraw/zinc/09/71/39/503097139.db2.gz ODIIOLTZGVYFAG-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000498055291 503097141 /nfs/dbraw/zinc/09/71/41/503097141.db2.gz ODIIOLTZGVYFAG-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000498055291 503097142 /nfs/dbraw/zinc/09/71/42/503097142.db2.gz ODIIOLTZGVYFAG-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCCC[C@H]2/C=C/c2cccs2)CC1 ZINC000514238933 503122206 /nfs/dbraw/zinc/12/22/06/503122206.db2.gz ITMSLDAIHCOIQR-BLGFXRMMSA-N 2 1 361.555 3.170 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCCC[C@H]2/C=C/c2cccs2)CC1 ZINC000514238933 503122210 /nfs/dbraw/zinc/12/22/10/503122210.db2.gz ITMSLDAIHCOIQR-BLGFXRMMSA-N 2 1 361.555 3.170 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527367 503134276 /nfs/dbraw/zinc/13/42/76/503134276.db2.gz XHSDUSHLUXOBCH-PGRDOPGGSA-N 2 1 353.510 3.234 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527367 503134278 /nfs/dbraw/zinc/13/42/78/503134278.db2.gz XHSDUSHLUXOBCH-PGRDOPGGSA-N 2 1 353.510 3.234 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000498259766 503145026 /nfs/dbraw/zinc/14/50/26/503145026.db2.gz OFGHLSBBNXDUED-QZTJIDSGSA-N 2 1 360.546 3.153 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506711944 503159355 /nfs/dbraw/zinc/15/93/55/503159355.db2.gz RZHOCVNCQSZIAR-HXUWFJFHSA-N 2 1 364.578 3.158 20 0 FGADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414388 503183055 /nfs/dbraw/zinc/18/30/55/503183055.db2.gz PHJKYHAKCNKFSS-QCLGFWRNSA-N 2 1 362.518 3.023 20 0 FGADMP Cc1cnc2cc(C(=O)N3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccn12 ZINC000514797362 503195691 /nfs/dbraw/zinc/19/56/91/503195691.db2.gz XKZITLZSWLQELG-NHCUHLMSSA-N 2 1 374.488 3.237 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000506929526 503196190 /nfs/dbraw/zinc/19/61/90/503196190.db2.gz GCZAMODEXHFBLJ-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490971300 503253612 /nfs/dbraw/zinc/25/36/12/503253612.db2.gz WBCPGKMGLQQUGG-CTNGQTDRSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490971300 503253616 /nfs/dbraw/zinc/25/36/16/503253616.db2.gz WBCPGKMGLQQUGG-CTNGQTDRSA-N 2 1 359.558 3.179 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000502700683 503254489 /nfs/dbraw/zinc/25/44/89/503254489.db2.gz DMHALVGJMDSWIT-NRFANRHFSA-N 2 1 366.509 3.021 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2ccccc2C[C@H]1C(=O)N1CCCC1 ZINC000502700683 503254493 /nfs/dbraw/zinc/25/44/93/503254493.db2.gz DMHALVGJMDSWIT-NRFANRHFSA-N 2 1 366.509 3.021 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@H+]1Cc1ccccc1 ZINC000515046395 503258641 /nfs/dbraw/zinc/25/86/41/503258641.db2.gz PRYLMXQSJXWULP-IIBYNOLFSA-N 2 1 364.493 3.117 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109624 503274260 /nfs/dbraw/zinc/27/42/60/503274260.db2.gz TXVUUBVFNOYSIU-GCGJSEPQSA-N 2 1 372.557 3.050 20 0 FGADMP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860028 503277561 /nfs/dbraw/zinc/27/75/61/503277561.db2.gz YOJXTVASCYAGMI-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860028 503277566 /nfs/dbraw/zinc/27/75/66/503277566.db2.gz YOJXTVASCYAGMI-VXKWHMMOSA-N 2 1 374.569 3.487 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000502861707 503292049 /nfs/dbraw/zinc/29/20/49/503292049.db2.gz LHTZGGZSWOQVIH-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000502861707 503292051 /nfs/dbraw/zinc/29/20/51/503292051.db2.gz LHTZGGZSWOQVIH-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000498918993 503293401 /nfs/dbraw/zinc/29/34/01/503293401.db2.gz NFXXDTHGQWAGQS-NRFANRHFSA-N 2 1 359.558 3.274 20 0 FGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515301586 503309931 /nfs/dbraw/zinc/30/99/31/503309931.db2.gz NFTTVHACOBNNCQ-SFTDATJTSA-N 2 1 351.494 3.022 20 0 FGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515301586 503309934 /nfs/dbraw/zinc/30/99/34/503309934.db2.gz NFTTVHACOBNNCQ-SFTDATJTSA-N 2 1 351.494 3.022 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000502943019 503312363 /nfs/dbraw/zinc/31/23/63/503312363.db2.gz YJORUQUKKHVRPM-MSOLQXFVSA-N 2 1 360.546 3.147 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c2)cc1 ZINC000491560396 503318787 /nfs/dbraw/zinc/31/87/87/503318787.db2.gz OWMNBNLWGVKFAD-MRXNPFEDSA-N 2 1 355.482 3.235 20 0 FGADMP CCN(CC(=O)N1CCC2(CCC[N@H+]2C)CC1)Cc1ccccc1Cl ZINC000503351012 503392638 /nfs/dbraw/zinc/39/26/38/503392638.db2.gz FEUZGBVGIGVAMR-UHFFFAOYSA-N 2 1 363.933 3.249 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820017 503406548 /nfs/dbraw/zinc/40/65/48/503406548.db2.gz BJZNIDZHCKRORB-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CCC1 ZINC000511962980 503424342 /nfs/dbraw/zinc/42/43/42/503424342.db2.gz ZGUUVKTZMCLMRV-IBGZPJMESA-N 2 1 372.557 3.071 20 0 FGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000493734311 503442573 /nfs/dbraw/zinc/44/25/73/503442573.db2.gz FBMCRURXXHYDIJ-AUSIDOKSSA-N 2 1 367.537 3.300 20 0 FGADMP COc1ncc(C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000499624184 503445537 /nfs/dbraw/zinc/44/55/37/503445537.db2.gz ICJZMAMRWUXYJB-HOTGVXAUSA-N 2 1 354.498 3.040 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499695283 503459829 /nfs/dbraw/zinc/45/98/29/503459829.db2.gz RPZHFHZKXYJJOK-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000499695283 503459833 /nfs/dbraw/zinc/45/98/33/503459833.db2.gz RPZHFHZKXYJJOK-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499695283 503459838 /nfs/dbraw/zinc/45/98/38/503459838.db2.gz RPZHFHZKXYJJOK-LEWJYISDSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998970 503472908 /nfs/dbraw/zinc/47/29/08/503472908.db2.gz GTLHAQXSUWXAIQ-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998970 503472909 /nfs/dbraw/zinc/47/29/09/503472909.db2.gz GTLHAQXSUWXAIQ-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998970 503472910 /nfs/dbraw/zinc/47/29/10/503472910.db2.gz GTLHAQXSUWXAIQ-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998970 503472911 /nfs/dbraw/zinc/47/29/11/503472911.db2.gz GTLHAQXSUWXAIQ-COPCDDAFSA-N 2 1 365.521 3.459 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[NH+](C3CC3)C2)c1 ZINC000512167323 503474292 /nfs/dbraw/zinc/47/42/92/503474292.db2.gz QNJNAPLZPYODJN-NRFANRHFSA-N 2 1 363.505 3.285 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000512167323 503474298 /nfs/dbraw/zinc/47/42/98/503474298.db2.gz QNJNAPLZPYODJN-NRFANRHFSA-N 2 1 363.505 3.285 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000512167323 503474303 /nfs/dbraw/zinc/47/43/03/503474303.db2.gz QNJNAPLZPYODJN-NRFANRHFSA-N 2 1 363.505 3.285 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000494052916 503479823 /nfs/dbraw/zinc/47/98/23/503479823.db2.gz ZCPVVHUAGLKYDP-HKUYNNGSSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000494052916 503479824 /nfs/dbraw/zinc/47/98/24/503479824.db2.gz ZCPVVHUAGLKYDP-HKUYNNGSSA-N 2 1 354.498 3.176 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494058827 503480526 /nfs/dbraw/zinc/48/05/26/503480526.db2.gz GXZQMJMZHUROCF-QMMLZNLJSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058827 503480530 /nfs/dbraw/zinc/48/05/30/503480530.db2.gz GXZQMJMZHUROCF-QMMLZNLJSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000494058827 503480535 /nfs/dbraw/zinc/48/05/35/503480535.db2.gz GXZQMJMZHUROCF-QMMLZNLJSA-N 2 1 355.526 3.173 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC000508374077 503484230 /nfs/dbraw/zinc/48/42/30/503484230.db2.gz BVWHFHVPPVXYSZ-KBPBESRZSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC000508374077 503484232 /nfs/dbraw/zinc/48/42/32/503484232.db2.gz BVWHFHVPPVXYSZ-KBPBESRZSA-N 2 1 373.570 3.433 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000516328776 503495271 /nfs/dbraw/zinc/49/52/71/503495271.db2.gz GMAAHKZBYCYOKO-OAQYLSRUSA-N 2 1 357.542 3.404 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)c1ccccc1 ZINC000516328776 503495276 /nfs/dbraw/zinc/49/52/76/503495276.db2.gz GMAAHKZBYCYOKO-OAQYLSRUSA-N 2 1 357.542 3.404 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1Br ZINC000499908733 503508978 /nfs/dbraw/zinc/50/89/78/503508978.db2.gz NVPXBXJSRHPHHA-UHFFFAOYSA-N 2 1 368.319 3.195 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000499914336 503510030 /nfs/dbraw/zinc/51/00/30/503510030.db2.gz SSBNWCZBLQWYFA-AWEZNQCLSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000499914336 503510034 /nfs/dbraw/zinc/51/00/34/503510034.db2.gz SSBNWCZBLQWYFA-AWEZNQCLSA-N 2 1 361.313 3.151 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434985 503549769 /nfs/dbraw/zinc/54/97/69/503549769.db2.gz CYUGUICEWSWAEN-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434985 503549774 /nfs/dbraw/zinc/54/97/74/503549774.db2.gz CYUGUICEWSWAEN-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000494547339 503561753 /nfs/dbraw/zinc/56/17/53/503561753.db2.gz VFDAZLSKPFHRJS-NRFANRHFSA-N 2 1 355.526 3.055 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869735 503583430 /nfs/dbraw/zinc/58/34/30/503583430.db2.gz YWTQARDQAIWNFM-FYZZASKESA-N 2 1 372.557 3.335 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC[C@H]1CCC[NH2+]1 ZINC000494654363 503584670 /nfs/dbraw/zinc/58/46/70/503584670.db2.gz NLDXEWQHELDGDP-UXHICEINSA-N 2 1 357.542 3.108 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000494654362 503584849 /nfs/dbraw/zinc/58/48/49/503584849.db2.gz NLDXEWQHELDGDP-PMACEKPBSA-N 2 1 357.542 3.108 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578292 503589101 /nfs/dbraw/zinc/58/91/01/503589101.db2.gz POJKTSWPOBQMFQ-XCJLJZCSSA-N 2 1 357.542 3.276 20 0 FGADMP C(CN1CCC[C@@H](OCC2CC2)C1)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494700135 503594388 /nfs/dbraw/zinc/59/43/88/503594388.db2.gz BKOQCGBDBIUXDH-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512610836 503594756 /nfs/dbraw/zinc/59/47/56/503594756.db2.gz FJIKJRSQZXWOTG-XUVXKRRUSA-N 2 1 357.542 3.182 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000516845777 503597986 /nfs/dbraw/zinc/59/79/86/503597986.db2.gz LGXUCABMUFEXOG-ZWKOTPCHSA-N 2 1 374.529 3.206 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000516845777 503597994 /nfs/dbraw/zinc/59/79/94/503597994.db2.gz LGXUCABMUFEXOG-ZWKOTPCHSA-N 2 1 374.529 3.206 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000512653203 503603944 /nfs/dbraw/zinc/60/39/44/503603944.db2.gz DEORUCWNVZYMNV-CEXWTWQISA-N 2 1 369.475 3.371 20 0 FGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]12C ZINC000512656357 503604990 /nfs/dbraw/zinc/60/49/90/503604990.db2.gz ZJHDMVVIYSPAMQ-ARQYYYJSSA-N 2 1 372.553 3.129 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494891642 503631468 /nfs/dbraw/zinc/63/14/68/503631468.db2.gz IMZSVMGGROOMTI-FUHIMQAGSA-N 2 1 357.542 3.311 20 0 FGADMP CCO[C@@H]1C[C@@](CO)([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969923 503634735 /nfs/dbraw/zinc/63/47/35/503634735.db2.gz MUAGXLIMAKFEOP-MZKRTTBSSA-N 2 1 372.553 3.339 20 0 FGADMP CCO[C@@H]1C[C@@](CO)([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969923 503634738 /nfs/dbraw/zinc/63/47/38/503634738.db2.gz MUAGXLIMAKFEOP-MZKRTTBSSA-N 2 1 372.553 3.339 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000500541731 503644447 /nfs/dbraw/zinc/64/44/47/503644447.db2.gz WVFDZNWWCUSRTA-NHCUHLMSSA-N 2 1 372.557 3.339 20 0 FGADMP Cn1ccnc1[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000512899109 503651635 /nfs/dbraw/zinc/65/16/35/503651635.db2.gz PDUPVJOXDNVMBJ-HXUWFJFHSA-N 2 1 354.498 3.136 20 0 FGADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@H]1CC=CCC1 ZINC000543180487 503663672 /nfs/dbraw/zinc/66/36/72/503663672.db2.gz VWVMFZPBPKSLOQ-SFHVURJKSA-N 2 1 373.566 3.462 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000540158776 503692669 /nfs/dbraw/zinc/69/26/69/503692669.db2.gz YESUSBVIYBIQKW-VKJFTORMSA-N 2 1 358.448 3.176 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000517245555 503692732 /nfs/dbraw/zinc/69/27/32/503692732.db2.gz UOIQKIOBQQWWJQ-DZFGPLHGSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccc(CC[NH+](C)C)cc3)sc2C1 ZINC000517392193 503734405 /nfs/dbraw/zinc/73/44/05/503734405.db2.gz QXBKKQOBYSNMCX-UHFFFAOYSA-N 2 1 372.538 3.266 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccc(CC[NH+](C)C)cc3)sc2C1 ZINC000517392193 503734408 /nfs/dbraw/zinc/73/44/08/503734408.db2.gz QXBKKQOBYSNMCX-UHFFFAOYSA-N 2 1 372.538 3.266 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000536857675 503742557 /nfs/dbraw/zinc/74/25/57/503742557.db2.gz KBYWLBBUOYPZEG-IBGZPJMESA-N 2 1 373.541 3.337 20 0 FGADMP C[C@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543401653 503755191 /nfs/dbraw/zinc/75/51/91/503755191.db2.gz ZSEOVGWGQOJUCR-RHSMWYFYSA-N 2 1 371.447 3.205 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@H](C)O1 ZINC000536934198 503765962 /nfs/dbraw/zinc/76/59/62/503765962.db2.gz DCBPIIJZCPONJD-OALUTQOASA-N 2 1 372.553 3.266 20 0 FGADMP CS[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000536995214 503773297 /nfs/dbraw/zinc/77/32/97/503773297.db2.gz VLOZAKPSUAMIKX-HZPDHXFCSA-N 2 1 366.328 3.479 20 0 FGADMP Cc1[nH]ncc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@@H](C)[C@H](C)C2)cc1 ZINC000537024729 503779807 /nfs/dbraw/zinc/77/98/07/503779807.db2.gz WLGCBMGYOFWDKV-IAGOWNOFSA-N 2 1 356.514 3.017 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000517590161 503779876 /nfs/dbraw/zinc/77/98/76/503779876.db2.gz UPMHFCFNTCBWLU-SFHVURJKSA-N 2 1 366.594 3.260 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCSc2ccccc2F)CC1 ZINC000517651133 503796987 /nfs/dbraw/zinc/79/69/87/503796987.db2.gz YAGBNVRBYFHDDS-UHFFFAOYSA-N 2 1 374.485 3.093 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(-c3ccccc3)nc2)C1 ZINC000533309698 503801468 /nfs/dbraw/zinc/80/14/68/503801468.db2.gz LXXFYBLXFHSASE-FQEVSTJZSA-N 2 1 354.498 3.076 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194838 503837061 /nfs/dbraw/zinc/83/70/61/503837061.db2.gz LBBTZHRRCPBFMO-RTWAWAEBSA-N 2 1 357.542 3.485 20 0 FGADMP C[C@@H]([NH3+])c1ccc(-c2ccc([C@@H](C)N3CC[NH+](CCO)CC3)cc2)cc1F ZINC000527589519 503845009 /nfs/dbraw/zinc/84/50/09/503845009.db2.gz SVZRBZJERVQJRR-IAGOWNOFSA-N 2 1 371.500 3.183 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCC4)c2)C1 ZINC000517850619 503850672 /nfs/dbraw/zinc/85/06/72/503850672.db2.gz XEABBQHVNCGREF-VQTJNVASSA-N 2 1 355.526 3.196 20 0 FGADMP COc1ccsc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546726174 503853560 /nfs/dbraw/zinc/85/35/60/503853560.db2.gz VIUASTJKXQOVCC-GJZGRUSLSA-N 2 1 365.568 3.458 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C[C@@H](C)C1 ZINC000533497838 503865540 /nfs/dbraw/zinc/86/55/40/503865540.db2.gz CEESVSASCRSRFO-OVQGTLEDSA-N 2 1 357.542 3.298 20 0 FGADMP CC(C)(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293258 503871716 /nfs/dbraw/zinc/87/17/16/503871716.db2.gz KEQKVYYSQONRLL-MJGOQNOKSA-N 2 1 363.521 3.480 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543740911 503874865 /nfs/dbraw/zinc/87/48/65/503874865.db2.gz BMQJLFAKMGRPEM-SJLPKXTDSA-N 2 1 358.555 3.345 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216377 503881052 /nfs/dbraw/zinc/88/10/52/503881052.db2.gz BCHYSEIFMNUOLF-WFASDCNBSA-N 2 1 355.404 3.297 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[NH+]2CCN(c3cccc4[nH]ccc43)CC2)cc1 ZINC000530230895 503883842 /nfs/dbraw/zinc/88/38/42/503883842.db2.gz DFMOTEUEMJKDCV-SFHVURJKSA-N 2 1 364.493 3.041 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(CC)CC ZINC000543777247 503887952 /nfs/dbraw/zinc/88/79/52/503887952.db2.gz RMXQGTZDVVLEDS-PWRODBHTSA-N 2 1 360.542 3.327 20 0 FGADMP c1sc(Cc2ccccc2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530243301 503892454 /nfs/dbraw/zinc/89/24/54/503892454.db2.gz WWDVPGCKNRWOQR-HXUWFJFHSA-N 2 1 371.550 3.324 20 0 FGADMP CC(C[NH+]1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000540827014 503906281 /nfs/dbraw/zinc/90/62/81/503906281.db2.gz QGVSQJSBMDTELV-VXKWHMMOSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000530354911 503936297 /nfs/dbraw/zinc/93/62/97/503936297.db2.gz FLEHOJQUSRHYOG-QAPCUYQASA-N 2 1 361.461 3.400 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000527792935 503946734 /nfs/dbraw/zinc/94/67/34/503946734.db2.gz YRSSMMZKEFLRDP-HXUWFJFHSA-N 2 1 362.562 3.100 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CCCc3ccsc3)CC2)C[C@@H](C)O1 ZINC000543990297 503962908 /nfs/dbraw/zinc/96/29/08/503962908.db2.gz AIZNZOSSDVNEOE-QZTJIDSGSA-N 2 1 366.571 3.271 20 0 FGADMP CCOc1c(Cl)cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1OC ZINC000537631753 503984924 /nfs/dbraw/zinc/98/49/24/503984924.db2.gz WYDOAOVZCFFMKM-UHFFFAOYSA-N 2 1 370.921 3.290 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000518460445 503991565 /nfs/dbraw/zinc/99/15/65/503991565.db2.gz DIXSORFAXOJXJX-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000518460445 503991570 /nfs/dbraw/zinc/99/15/70/503991570.db2.gz DIXSORFAXOJXJX-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000518460445 503991574 /nfs/dbraw/zinc/99/15/74/503991574.db2.gz DIXSORFAXOJXJX-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000518459985 503991656 /nfs/dbraw/zinc/99/16/56/503991656.db2.gz HRGMEZSYPKEJBL-KRWDZBQOSA-N 2 1 352.567 3.109 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000527915128 503997695 /nfs/dbraw/zinc/99/76/95/503997695.db2.gz MJXBAKZSOIULRT-CEWLAPEOSA-N 2 1 353.514 3.078 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000527915128 503997702 /nfs/dbraw/zinc/99/77/02/503997702.db2.gz MJXBAKZSOIULRT-CEWLAPEOSA-N 2 1 353.514 3.078 20 0 FGADMP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527941415 504008385 /nfs/dbraw/zinc/00/83/85/504008385.db2.gz YVQOBGHOLOQULL-SZMVWBNQSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015987 504041115 /nfs/dbraw/zinc/04/11/15/504041115.db2.gz ZWROEVDFSKTRIW-UYAOXDASSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547271325 504042700 /nfs/dbraw/zinc/04/27/00/504042700.db2.gz DUBOISDKCYWSEG-MRXNPFEDSA-N 2 1 373.360 3.106 20 0 FGADMP CC(C)Sc1cc(Br)ccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547271325 504042704 /nfs/dbraw/zinc/04/27/04/504042704.db2.gz DUBOISDKCYWSEG-MRXNPFEDSA-N 2 1 373.360 3.106 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537965855 504097411 /nfs/dbraw/zinc/09/74/11/504097411.db2.gz HQVJBMZLRIDCRF-KBPBESRZSA-N 2 1 358.877 3.413 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@H](C)C1 ZINC000544359835 504102874 /nfs/dbraw/zinc/10/28/74/504102874.db2.gz NTQCZOPFQUEGNA-DBXWQHBBSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000518969662 504106586 /nfs/dbraw/zinc/10/65/86/504106586.db2.gz MOYPAFXISQIESO-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969662 504106590 /nfs/dbraw/zinc/10/65/90/504106590.db2.gz MOYPAFXISQIESO-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969662 504106597 /nfs/dbraw/zinc/10/65/97/504106597.db2.gz MOYPAFXISQIESO-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863889 504111041 /nfs/dbraw/zinc/11/10/41/504111041.db2.gz NEAMWBIPNNOFBF-UGKGYDQZSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863889 504111045 /nfs/dbraw/zinc/11/10/45/504111045.db2.gz NEAMWBIPNNOFBF-UGKGYDQZSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863889 504111052 /nfs/dbraw/zinc/11/10/52/504111052.db2.gz NEAMWBIPNNOFBF-UGKGYDQZSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863889 504111055 /nfs/dbraw/zinc/11/10/55/504111055.db2.gz NEAMWBIPNNOFBF-UGKGYDQZSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1 ZINC000530913280 504128347 /nfs/dbraw/zinc/12/83/47/504128347.db2.gz MDJNLEMTOUIQMO-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP C[NH+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)C1)Cc1ccccc1 ZINC000530913280 504128350 /nfs/dbraw/zinc/12/83/50/504128350.db2.gz MDJNLEMTOUIQMO-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP C[NH+](CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccccc1 ZINC000530913280 504128357 /nfs/dbraw/zinc/12/83/57/504128357.db2.gz MDJNLEMTOUIQMO-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503546 504129406 /nfs/dbraw/zinc/12/94/06/504129406.db2.gz UURYTKKZQXZELS-PGRDOPGGSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000519177909 504158208 /nfs/dbraw/zinc/15/82/08/504158208.db2.gz QZBKRENRGFOKNZ-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307781 504161029 /nfs/dbraw/zinc/16/10/29/504161029.db2.gz PAQNYAOYSFJIAZ-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307781 504161034 /nfs/dbraw/zinc/16/10/34/504161034.db2.gz PAQNYAOYSFJIAZ-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307781 504161038 /nfs/dbraw/zinc/16/10/38/504161038.db2.gz PAQNYAOYSFJIAZ-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307781 504161042 /nfs/dbraw/zinc/16/10/42/504161042.db2.gz PAQNYAOYSFJIAZ-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307781 504161047 /nfs/dbraw/zinc/16/10/47/504161047.db2.gz PAQNYAOYSFJIAZ-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC000528318079 504166543 /nfs/dbraw/zinc/16/65/43/504166543.db2.gz LLQMPTHFILYGIL-NHCUHLMSSA-N 2 1 368.525 3.102 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CC(C)C ZINC000528318079 504166548 /nfs/dbraw/zinc/16/65/48/504166548.db2.gz LLQMPTHFILYGIL-NHCUHLMSSA-N 2 1 368.525 3.102 20 0 FGADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000541534442 504167426 /nfs/dbraw/zinc/16/74/26/504167426.db2.gz QBKQGHIORJOKGR-FUHWJXTLSA-N 2 1 369.513 3.093 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000528375639 504194711 /nfs/dbraw/zinc/19/47/11/504194711.db2.gz ZOEVFRRCAQUXFG-YPAWHYETSA-N 2 1 369.553 3.231 20 0 FGADMP CCC[C@H](C)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000538306290 504199280 /nfs/dbraw/zinc/19/92/80/504199280.db2.gz NUBHBOUPTLTQSO-IBGZPJMESA-N 2 1 359.558 3.383 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640877 504202487 /nfs/dbraw/zinc/20/24/87/504202487.db2.gz LYFSGLWLHRVOEW-GCJKJVERSA-N 2 1 365.521 3.247 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000519381313 504208051 /nfs/dbraw/zinc/20/80/51/504208051.db2.gz WXWUDGWFLFVUTG-QRVBRYPASA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000519381313 504208056 /nfs/dbraw/zinc/20/80/56/504208056.db2.gz WXWUDGWFLFVUTG-QRVBRYPASA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000519381313 504208059 /nfs/dbraw/zinc/20/80/59/504208059.db2.gz WXWUDGWFLFVUTG-QRVBRYPASA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C[C@H](C)O1 ZINC000519415048 504215743 /nfs/dbraw/zinc/21/57/43/504215743.db2.gz BMGAPYLHUICTPW-OKILXGFUSA-N 2 1 360.420 3.390 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000538348927 504216843 /nfs/dbraw/zinc/21/68/43/504216843.db2.gz HYHCAWRQQSTKIA-LJQANCHMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000538348927 504216849 /nfs/dbraw/zinc/21/68/49/504216849.db2.gz HYHCAWRQQSTKIA-LJQANCHMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H](C)C3(C)CC3)CC2)cc1 ZINC000538348927 504216856 /nfs/dbraw/zinc/21/68/56/504216856.db2.gz HYHCAWRQQSTKIA-LJQANCHMSA-N 2 1 357.542 3.150 20 0 FGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)oc21 ZINC000538393624 504233312 /nfs/dbraw/zinc/23/33/12/504233312.db2.gz BVIQUDCXXNGEHL-DOTOQJQBSA-N 2 1 373.497 3.070 20 0 FGADMP CCOc1cccc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@@H](C(N)=O)C3)oc21 ZINC000538393624 504233316 /nfs/dbraw/zinc/23/33/16/504233316.db2.gz BVIQUDCXXNGEHL-DOTOQJQBSA-N 2 1 373.497 3.070 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)CC1 ZINC000531290712 504254067 /nfs/dbraw/zinc/25/40/67/504254067.db2.gz UMJUFZTUKNRIIW-FQEVSTJZSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000531290712 504254070 /nfs/dbraw/zinc/25/40/70/504254070.db2.gz UMJUFZTUKNRIIW-FQEVSTJZSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000531290712 504254076 /nfs/dbraw/zinc/25/40/76/504254076.db2.gz UMJUFZTUKNRIIW-FQEVSTJZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]([NH2+][C@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519568269 504256840 /nfs/dbraw/zinc/25/68/40/504256840.db2.gz QMCHHHZWRMPVEG-XJABCFGWSA-N 2 1 356.485 3.229 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)CC1 ZINC000538717387 504339254 /nfs/dbraw/zinc/33/92/54/504339254.db2.gz XQWFPMUAOVTIRZ-IFMALSPDSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000538717387 504339259 /nfs/dbraw/zinc/33/92/59/504339259.db2.gz XQWFPMUAOVTIRZ-IFMALSPDSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000538717387 504339265 /nfs/dbraw/zinc/33/92/65/504339265.db2.gz XQWFPMUAOVTIRZ-IFMALSPDSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000538717387 504339271 /nfs/dbraw/zinc/33/92/71/504339271.db2.gz XQWFPMUAOVTIRZ-IFMALSPDSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000538717387 504339276 /nfs/dbraw/zinc/33/92/76/504339276.db2.gz XQWFPMUAOVTIRZ-IFMALSPDSA-N 2 1 372.601 3.381 20 0 FGADMP C[C@@H]([NH2+]CCCN(C)CC(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155883 504350560 /nfs/dbraw/zinc/35/05/60/504350560.db2.gz ZFEXWIOSMMQCCX-SJLPKXTDSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155493 504351255 /nfs/dbraw/zinc/35/12/55/504351255.db2.gz UIRZATKMBFWYBH-VLCRHTCISA-N 2 1 370.512 3.477 20 0 FGADMP CC[C@]1(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824406 504354834 /nfs/dbraw/zinc/35/48/34/504354834.db2.gz HMODKPIYKSBHSX-UCLAIMLFSA-N 2 1 367.896 3.120 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000531689057 504393376 /nfs/dbraw/zinc/39/33/76/504393376.db2.gz HERVOJZAPVGVNQ-AWEZNQCLSA-N 2 1 355.910 3.386 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1)CC1CC1 ZINC000538858083 504395100 /nfs/dbraw/zinc/39/51/00/504395100.db2.gz LRAAPVGKERTNCJ-UHFFFAOYSA-N 2 1 360.546 3.051 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C(C)(C)C ZINC000535426964 504432917 /nfs/dbraw/zinc/43/29/17/504432917.db2.gz HMRLSSATMACOPL-CEXWTWQISA-N 2 1 360.546 3.097 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000520231323 504442163 /nfs/dbraw/zinc/44/21/63/504442163.db2.gz UADLAJBPUMSRHT-ULQDDVLXSA-N 2 1 369.465 3.078 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000520231323 504442169 /nfs/dbraw/zinc/44/21/69/504442169.db2.gz UADLAJBPUMSRHT-ULQDDVLXSA-N 2 1 369.465 3.078 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346832 504454342 /nfs/dbraw/zinc/45/43/42/504454342.db2.gz OAMTZJKNNLJVLR-QUCCMNQESA-N 2 1 372.557 3.243 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1)CC(C)C ZINC000539099574 504471747 /nfs/dbraw/zinc/47/17/47/504471747.db2.gz HWGMTNYUCZKPDI-KRWDZBQOSA-N 2 1 364.534 3.390 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)no2)CC1)CC(C)C ZINC000539099574 504471749 /nfs/dbraw/zinc/47/17/49/504471749.db2.gz HWGMTNYUCZKPDI-KRWDZBQOSA-N 2 1 364.534 3.390 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624258 504488482 /nfs/dbraw/zinc/48/84/82/504488482.db2.gz LQAJWKDZEDOLDQ-PZJWPPBQSA-N 2 1 357.542 3.364 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451779 504494168 /nfs/dbraw/zinc/49/41/68/504494168.db2.gz ORQMIQRSCKIAAK-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP CS[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@@H]1[NH+](C)C ZINC000539198944 504496752 /nfs/dbraw/zinc/49/67/52/504496752.db2.gz XSPZIQWUAGHJCJ-JKSUJKDBSA-N 2 1 366.328 3.479 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000548732227 504544865 /nfs/dbraw/zinc/54/48/65/504544865.db2.gz FAVDLRPNRPJLPB-UHFFFAOYSA-N 2 1 357.542 3.014 20 0 FGADMP CC(C)c1ncc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000539382325 504549556 /nfs/dbraw/zinc/54/95/56/504549556.db2.gz IJTQNCMKEQGYNX-MRXNPFEDSA-N 2 1 364.584 3.406 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000535900273 504577078 /nfs/dbraw/zinc/57/70/78/504577078.db2.gz LTWBAARQAMUDRU-MJGOQNOKSA-N 2 1 363.933 3.133 20 0 FGADMP C[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971093 504618453 /nfs/dbraw/zinc/61/84/53/504618453.db2.gz BUBCMRQHAKEZII-RTWAWAEBSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000521054260 504638657 /nfs/dbraw/zinc/63/86/57/504638657.db2.gz QXSXPDSVYUDVRJ-JTDSTZFVSA-N 2 1 365.949 3.427 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000521054260 504638660 /nfs/dbraw/zinc/63/86/60/504638660.db2.gz QXSXPDSVYUDVRJ-JTDSTZFVSA-N 2 1 365.949 3.427 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000529360032 504645217 /nfs/dbraw/zinc/64/52/17/504645217.db2.gz SCERPFHBTPVLMJ-YSIASYRMSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1sccc1Br ZINC000532450975 504655333 /nfs/dbraw/zinc/65/53/33/504655333.db2.gz NQABSGHVSFYZHU-ZDUSSCGKSA-N 2 1 360.365 3.189 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170748 504656616 /nfs/dbraw/zinc/65/66/16/504656616.db2.gz GUSIMWBNAULPDV-NHCUHLMSSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170748 504656619 /nfs/dbraw/zinc/65/66/19/504656619.db2.gz GUSIMWBNAULPDV-NHCUHLMSSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170748 504656624 /nfs/dbraw/zinc/65/66/24/504656624.db2.gz GUSIMWBNAULPDV-NHCUHLMSSA-N 2 1 372.557 3.386 20 0 FGADMP C[N@@H+](CCC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016248 504675125 /nfs/dbraw/zinc/67/51/25/504675125.db2.gz DEGRHIIXSOFPTK-NRFANRHFSA-N 2 1 371.569 3.322 20 0 FGADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016248 504675132 /nfs/dbraw/zinc/67/51/32/504675132.db2.gz DEGRHIIXSOFPTK-NRFANRHFSA-N 2 1 371.569 3.322 20 0 FGADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016248 504675138 /nfs/dbraw/zinc/67/51/38/504675138.db2.gz DEGRHIIXSOFPTK-NRFANRHFSA-N 2 1 371.569 3.322 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CCCCC1 ZINC000546015828 504675351 /nfs/dbraw/zinc/67/53/51/504675351.db2.gz BFMMOYNFPPKFSI-UHFFFAOYSA-N 2 1 372.557 3.027 20 0 FGADMP COc1ccc(Br)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000539832642 504709345 /nfs/dbraw/zinc/70/93/45/504709345.db2.gz YDMHJBMCNRYRBA-UHFFFAOYSA-N 2 1 371.319 3.000 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000549175935 504713473 /nfs/dbraw/zinc/71/34/73/504713473.db2.gz LMJRLOMMYGPNRT-INIZCTEOSA-N 2 1 355.482 3.416 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1C ZINC000521511950 504750120 /nfs/dbraw/zinc/75/01/20/504750120.db2.gz HFKUTABJUVVADF-IEBWSBKVSA-N 2 1 369.509 3.202 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1F ZINC000521518676 504751765 /nfs/dbraw/zinc/75/17/65/504751765.db2.gz GFFIGRSLXNJRAZ-FQEVSTJZSA-N 2 1 372.488 3.447 20 0 FGADMP CCN(C(=O)NCC1CC[NH+](CC)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000562306328 504778947 /nfs/dbraw/zinc/77/89/47/504778947.db2.gz BJTQZDSAXWSFEX-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000565047128 504780694 /nfs/dbraw/zinc/78/06/94/504780694.db2.gz NMXAFCAVNAOTLH-IRLDBZIGSA-N 2 1 367.537 3.191 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000565047129 504780814 /nfs/dbraw/zinc/78/08/14/504780814.db2.gz NMXAFCAVNAOTLH-RBBKRZOGSA-N 2 1 367.537 3.191 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C(C)=O)cc3)CC2)CC1 ZINC000552916241 504787086 /nfs/dbraw/zinc/78/70/86/504787086.db2.gz GOISFMCSZDSENO-UHFFFAOYSA-N 2 1 357.498 3.024 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000565154558 504809215 /nfs/dbraw/zinc/80/92/15/504809215.db2.gz BHTMIKMSRQLCAQ-IEBWSBKVSA-N 2 1 354.498 3.035 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000565164870 504813710 /nfs/dbraw/zinc/81/37/10/504813710.db2.gz PZCXWKSBZXYZRH-RBUKOAKNSA-N 2 1 363.933 3.420 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312921 504828613 /nfs/dbraw/zinc/82/86/13/504828613.db2.gz XRRPNXDMVHJZDY-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312921 504828617 /nfs/dbraw/zinc/82/86/17/504828617.db2.gz XRRPNXDMVHJZDY-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312921 504828621 /nfs/dbraw/zinc/82/86/21/504828621.db2.gz XRRPNXDMVHJZDY-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3cccc(Br)c3)C2)C1 ZINC000559312921 504828623 /nfs/dbraw/zinc/82/86/23/504828623.db2.gz XRRPNXDMVHJZDY-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559337339 504838771 /nfs/dbraw/zinc/83/87/71/504838771.db2.gz UCHXLMJCQHVXHR-CEMLEFRQSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337339 504838772 /nfs/dbraw/zinc/83/87/72/504838772.db2.gz UCHXLMJCQHVXHR-CEMLEFRQSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337339 504838774 /nfs/dbraw/zinc/83/87/74/504838774.db2.gz UCHXLMJCQHVXHR-CEMLEFRQSA-N 2 1 369.553 3.372 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559741633 504920183 /nfs/dbraw/zinc/92/01/83/504920183.db2.gz NHFPNVGHLRGLCC-NHCUHLMSSA-N 2 1 351.494 3.361 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000559741633 504920189 /nfs/dbraw/zinc/92/01/89/504920189.db2.gz NHFPNVGHLRGLCC-NHCUHLMSSA-N 2 1 351.494 3.361 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1Cl ZINC000562748071 504931945 /nfs/dbraw/zinc/93/19/45/504931945.db2.gz JTKGPVDUCRNMEB-VQIMIIECSA-N 2 1 357.885 3.153 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1F ZINC000565612179 504936979 /nfs/dbraw/zinc/93/69/79/504936979.db2.gz IVARMDNVUJGXMV-FPOVZHCZSA-N 2 1 369.484 3.289 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1n1cccn1 ZINC000559925334 504952036 /nfs/dbraw/zinc/95/20/36/504952036.db2.gz VYMZBKRWJVJUFR-NDYOWHOSSA-N 2 1 368.525 3.102 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H]1n1cccn1 ZINC000559925334 504952041 /nfs/dbraw/zinc/95/20/41/504952041.db2.gz VYMZBKRWJVJUFR-NDYOWHOSSA-N 2 1 368.525 3.102 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553598621 504958965 /nfs/dbraw/zinc/95/89/65/504958965.db2.gz DJLXCFPXYAQVMF-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)c1ccccc1 ZINC000556833524 504989239 /nfs/dbraw/zinc/98/92/39/504989239.db2.gz VEVGECGTRJGULE-QFIPXVFZSA-N 2 1 374.488 3.186 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565796777 504989844 /nfs/dbraw/zinc/98/98/44/504989844.db2.gz ZYQSUJBATBAPBQ-IXDOHACOSA-N 2 1 374.529 3.167 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000562939786 504994288 /nfs/dbraw/zinc/99/42/88/504994288.db2.gz WFNMNRHTTPEQFK-MSEOUXRUSA-N 2 1 369.553 3.168 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000565827806 505000004 /nfs/dbraw/zinc/00/00/04/505000004.db2.gz IYKXMBVZCSAQBH-BFYDXBDKSA-N 2 1 350.528 3.194 20 0 FGADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn2)c1 ZINC000562959131 505001278 /nfs/dbraw/zinc/00/12/78/505001278.db2.gz VGIFJPIHLWLILN-VAMGGRTRSA-N 2 1 371.456 3.260 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877587 505003482 /nfs/dbraw/zinc/00/34/82/505003482.db2.gz HNROKGJRKKYUAU-AZUAARDMSA-N 2 1 361.493 3.440 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985175 505009318 /nfs/dbraw/zinc/00/93/18/505009318.db2.gz ICVAMZVQXQYEGS-HIFRSBDPSA-N 2 1 361.313 3.055 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246134 505028768 /nfs/dbraw/zinc/02/87/68/505028768.db2.gz MNLIJNKKWFKDKN-RTWAWAEBSA-N 2 1 359.558 3.096 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2)CC1 ZINC000560270225 505034748 /nfs/dbraw/zinc/03/47/48/505034748.db2.gz KMIDEZRWAOXFFJ-UHFFFAOYSA-N 3 1 357.542 3.124 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC([NH3+])CC1)C1CCCCC1 ZINC000557119758 505070814 /nfs/dbraw/zinc/07/08/14/505070814.db2.gz QMTJJJFGMHCCSI-UHFFFAOYSA-N 2 1 358.530 3.084 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1)C1CCCCC1 ZINC000557119566 505070914 /nfs/dbraw/zinc/07/09/14/505070914.db2.gz JBUCPPQNGMUKRY-UHFFFAOYSA-N 2 1 372.557 3.392 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615103 505073686 /nfs/dbraw/zinc/07/36/86/505073686.db2.gz DTRXCQAPYBHGJE-YADHBBJMSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615103 505073689 /nfs/dbraw/zinc/07/36/89/505073689.db2.gz DTRXCQAPYBHGJE-YADHBBJMSA-N 2 1 361.493 3.252 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000554145695 505104776 /nfs/dbraw/zinc/10/47/76/505104776.db2.gz VNMRRMUNMHTKMP-XUVXKRRUSA-N 2 1 358.530 3.252 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216646 505113337 /nfs/dbraw/zinc/11/33/37/505113337.db2.gz WPHTUSCPQVCRSO-PMACEKPBSA-N 2 1 357.542 3.276 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)C ZINC000566216646 505113340 /nfs/dbraw/zinc/11/33/40/505113340.db2.gz WPHTUSCPQVCRSO-PMACEKPBSA-N 2 1 357.542 3.276 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000551007376 505141202 /nfs/dbraw/zinc/14/12/02/505141202.db2.gz DGFCUPQZQFTVIU-NHCUHLMSSA-N 2 1 350.510 3.476 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000551007376 505141205 /nfs/dbraw/zinc/14/12/05/505141205.db2.gz DGFCUPQZQFTVIU-NHCUHLMSSA-N 2 1 350.510 3.476 20 0 FGADMP CCN(CC)c1ccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000557534626 505160324 /nfs/dbraw/zinc/16/03/24/505160324.db2.gz MRSCJTJAWYDWNS-FQEVSTJZSA-N 2 1 366.509 3.066 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000551239173 505183569 /nfs/dbraw/zinc/18/35/69/505183569.db2.gz NEIOBFXEIMLTNF-NVXWUHKLSA-N 2 1 373.463 3.370 20 0 FGADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)c1 ZINC000566480857 505187321 /nfs/dbraw/zinc/18/73/21/505187321.db2.gz BFEWCIQQDLNXOD-QWFCFKBJSA-N 2 1 358.507 3.039 20 0 FGADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265436 505188551 /nfs/dbraw/zinc/18/85/51/505188551.db2.gz VKWODOHPQOZXKD-WOJBJXKFSA-N 2 1 358.526 3.072 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1 ZINC000563669514 505206548 /nfs/dbraw/zinc/20/65/48/505206548.db2.gz GWUNKLJDZNPPAI-FXAWDEMLSA-N 2 1 374.916 3.244 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000566741221 505260508 /nfs/dbraw/zinc/26/05/08/505260508.db2.gz UJSCUMHFLLOKRX-UGKGYDQZSA-N 2 1 367.537 3.334 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160563 505268238 /nfs/dbraw/zinc/26/82/38/505268238.db2.gz ITCOOBPDHPUKEB-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160563 505268240 /nfs/dbraw/zinc/26/82/40/505268240.db2.gz ITCOOBPDHPUKEB-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160563 505268242 /nfs/dbraw/zinc/26/82/42/505268242.db2.gz ITCOOBPDHPUKEB-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000561160563 505268244 /nfs/dbraw/zinc/26/82/44/505268244.db2.gz ITCOOBPDHPUKEB-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863079 505294351 /nfs/dbraw/zinc/29/43/51/505294351.db2.gz GUVMIKOXGRXSTI-FUPPJEDESA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863079 505294354 /nfs/dbraw/zinc/29/43/54/505294354.db2.gz GUVMIKOXGRXSTI-FUPPJEDESA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863079 505294360 /nfs/dbraw/zinc/29/43/60/505294360.db2.gz GUVMIKOXGRXSTI-FUPPJEDESA-N 2 1 371.569 3.478 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CN(c3ccccc3)CCO2)C1 ZINC000566863079 505294366 /nfs/dbraw/zinc/29/43/66/505294366.db2.gz GUVMIKOXGRXSTI-FUPPJEDESA-N 2 1 371.569 3.478 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@]1(C)CCCO1 ZINC000566870585 505296571 /nfs/dbraw/zinc/29/65/71/505296571.db2.gz ZTFBSBJWWCDUMD-NNWRFLSQSA-N 2 1 372.553 3.462 20 0 FGADMP O=C(CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959504 505312070 /nfs/dbraw/zinc/31/20/70/505312070.db2.gz GHEBRYZWPJGGKY-LEWJYISDSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959504 505312074 /nfs/dbraw/zinc/31/20/74/505312074.db2.gz GHEBRYZWPJGGKY-LEWJYISDSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959504 505312076 /nfs/dbraw/zinc/31/20/76/505312076.db2.gz GHEBRYZWPJGGKY-LEWJYISDSA-N 2 1 363.505 3.469 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000551805566 505313180 /nfs/dbraw/zinc/31/31/80/505313180.db2.gz VFELRUHEKLPCLV-YSZBQJHXSA-N 2 1 367.537 3.408 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000551805566 505313181 /nfs/dbraw/zinc/31/31/81/505313181.db2.gz VFELRUHEKLPCLV-YSZBQJHXSA-N 2 1 367.537 3.408 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)c3ccc(-n4cc[nH+]c4C)cc3)[C@@H]2C1 ZINC000564153477 505339494 /nfs/dbraw/zinc/33/94/94/505339494.db2.gz UTHYMFFADPVSDJ-XOHCFOMMSA-N 2 1 366.509 3.478 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000561508673 505363987 /nfs/dbraw/zinc/36/39/87/505363987.db2.gz HRRSUNLBWUUGCM-HXUWFJFHSA-N 2 1 364.578 3.206 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000555148163 505364506 /nfs/dbraw/zinc/36/45/06/505364506.db2.gz IKJZPPMTXQEDCY-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000555148163 505364508 /nfs/dbraw/zinc/36/45/08/505364508.db2.gz IKJZPPMTXQEDCY-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000555148163 505364510 /nfs/dbraw/zinc/36/45/10/505364510.db2.gz IKJZPPMTXQEDCY-WSTZPKSXSA-N 2 1 360.546 3.242 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000564262119 505365843 /nfs/dbraw/zinc/36/58/43/505365843.db2.gz XZFBRULDFQUUPZ-SXLOBPIMSA-N 2 1 354.498 3.203 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C)[C@@H](n2ccnc2)C1)N(C)Cc1ccccc1 ZINC000564262119 505365847 /nfs/dbraw/zinc/36/58/47/505365847.db2.gz XZFBRULDFQUUPZ-SXLOBPIMSA-N 2 1 354.498 3.203 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552025894 505374126 /nfs/dbraw/zinc/37/41/26/505374126.db2.gz PICFDUIWWZQAAN-DFGXFYAUSA-N 2 1 365.949 3.363 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000564319629 505382552 /nfs/dbraw/zinc/38/25/52/505382552.db2.gz LNALLPCHBDNRPX-FQEVSTJZSA-N 2 1 358.505 3.222 20 0 FGADMP CC[NH+]1CCC(CNC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000555549725 505454156 /nfs/dbraw/zinc/45/41/56/505454156.db2.gz AGTGQUDMMNGGMK-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000561976797 505483231 /nfs/dbraw/zinc/48/32/31/505483231.db2.gz SDCRHASFLUGIMT-SFHVURJKSA-N 2 1 373.520 3.064 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040308 505499387 /nfs/dbraw/zinc/49/93/87/505499387.db2.gz ZBQGHISZNVLIAM-GDBMZVCRSA-N 2 1 364.452 3.110 20 0 FGADMP C[C@@H]1C[N@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000564789351 505520152 /nfs/dbraw/zinc/52/01/52/505520152.db2.gz ABJYMYCBVGXUHW-DENIHFKCSA-N 2 1 357.586 3.484 20 0 FGADMP C[C@@H]1C[N@@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CCN(C)CC1 ZINC000564789351 505520156 /nfs/dbraw/zinc/52/01/56/505520156.db2.gz ABJYMYCBVGXUHW-DENIHFKCSA-N 2 1 357.586 3.484 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567715191 505546775 /nfs/dbraw/zinc/54/67/75/505546775.db2.gz SOJSINBPCKIKBK-WSTZPKSXSA-N 2 1 372.557 3.056 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567817473 505565754 /nfs/dbraw/zinc/56/57/54/505565754.db2.gz SKCSHRKZTFGFRS-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000589221065 506490633 /nfs/dbraw/zinc/49/06/33/506490633.db2.gz NRSSJUYULKBBPU-HXUWFJFHSA-N 2 1 374.573 3.067 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000589221065 506490641 /nfs/dbraw/zinc/49/06/41/506490641.db2.gz NRSSJUYULKBBPU-HXUWFJFHSA-N 2 1 374.573 3.067 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000589221065 506490648 /nfs/dbraw/zinc/49/06/48/506490648.db2.gz NRSSJUYULKBBPU-HXUWFJFHSA-N 2 1 374.573 3.067 20 0 FGADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000582949037 506504725 /nfs/dbraw/zinc/50/47/25/506504725.db2.gz ZABODMUETIMEIF-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP CC1(C)CCC[N@@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000582949037 506504728 /nfs/dbraw/zinc/50/47/28/506504728.db2.gz ZABODMUETIMEIF-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000582949037 506504731 /nfs/dbraw/zinc/50/47/31/506504731.db2.gz ZABODMUETIMEIF-GOSISDBHSA-N 2 1 372.557 3.484 20 0 FGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000596650977 506512058 /nfs/dbraw/zinc/51/20/58/506512058.db2.gz MXGZZVHKVQYEJC-RYUDHWBXSA-N 2 1 364.658 3.304 20 0 FGADMP COC(=O)CC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000612397662 506561433 /nfs/dbraw/zinc/56/14/33/506561433.db2.gz FXGITTKTSIJRCX-UHFFFAOYSA-N 2 1 355.463 3.499 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3[nH]nc4ccccc43)cc2)C[C@H](C)O1 ZINC000589639251 506615552 /nfs/dbraw/zinc/61/55/52/506615552.db2.gz ZDKNPDNIYQZUBE-CALCHBBNSA-N 2 1 364.493 3.462 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608650979 506649274 /nfs/dbraw/zinc/64/92/74/506649274.db2.gz VQGCYZVBDSVRCQ-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684900 506664427 /nfs/dbraw/zinc/66/44/27/506664427.db2.gz BHJRDLLFUMMRBX-NRSPTQNISA-N 2 1 372.557 3.338 20 0 FGADMP CC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999443 506701667 /nfs/dbraw/zinc/70/16/67/506701667.db2.gz IRXFYPUYMOYQBM-UHFFFAOYSA-N 2 1 360.889 3.257 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000604112931 506718994 /nfs/dbraw/zinc/71/89/94/506718994.db2.gz KEYTVJZGQXBLTN-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000604173075 506736333 /nfs/dbraw/zinc/73/63/33/506736333.db2.gz HDTLDXDZDUIEDW-HKBOAZHASA-N 2 1 370.541 3.140 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000583385013 506750273 /nfs/dbraw/zinc/75/02/73/506750273.db2.gz PNAADQSJUPHHHX-GOSISDBHSA-N 2 1 361.530 3.215 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000583385013 506750281 /nfs/dbraw/zinc/75/02/81/506750281.db2.gz PNAADQSJUPHHHX-GOSISDBHSA-N 2 1 361.530 3.215 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000583385013 506750284 /nfs/dbraw/zinc/75/02/84/506750284.db2.gz PNAADQSJUPHHHX-GOSISDBHSA-N 2 1 361.530 3.215 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000583667103 506902436 /nfs/dbraw/zinc/90/24/36/506902436.db2.gz KQKMWYRHKJHPON-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000590788223 506957335 /nfs/dbraw/zinc/95/73/35/506957335.db2.gz WMNPEHCASXWEMW-IBGZPJMESA-N 2 1 359.539 3.048 20 0 FGADMP C[N@@H+](Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583779706 506967932 /nfs/dbraw/zinc/96/79/32/506967932.db2.gz GKJHKCUPHOVULA-XYPWUTKMSA-N 2 1 370.278 3.348 20 0 FGADMP C[NH+](Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583779706 506967936 /nfs/dbraw/zinc/96/79/36/506967936.db2.gz GKJHKCUPHOVULA-XYPWUTKMSA-N 2 1 370.278 3.348 20 0 FGADMP C[NH+](Cc1cccc(I)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583779706 506967945 /nfs/dbraw/zinc/96/79/45/506967945.db2.gz GKJHKCUPHOVULA-XYPWUTKMSA-N 2 1 370.278 3.348 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC(C)(C4CC4)CC3)CC2)CC1 ZINC000584062507 507131122 /nfs/dbraw/zinc/13/11/22/507131122.db2.gz QGUDACIUZKYOPW-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844102 507144090 /nfs/dbraw/zinc/14/40/90/507144090.db2.gz SAWRZYJNOPXPIJ-ZWKOTPCHSA-N 2 1 366.575 3.305 20 0 FGADMP C[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CCCC1 ZINC000591405752 507237654 /nfs/dbraw/zinc/23/76/54/507237654.db2.gz VRKBALWEYBKMOZ-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591453145 507256353 /nfs/dbraw/zinc/25/63/53/507256353.db2.gz UZAQSLJOCHTGCI-SFHVURJKSA-N 2 1 361.530 3.010 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591453145 507256355 /nfs/dbraw/zinc/25/63/55/507256355.db2.gz UZAQSLJOCHTGCI-SFHVURJKSA-N 2 1 361.530 3.010 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591453145 507256360 /nfs/dbraw/zinc/25/63/60/507256360.db2.gz UZAQSLJOCHTGCI-SFHVURJKSA-N 2 1 361.530 3.010 20 0 FGADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000594919799 507315637 /nfs/dbraw/zinc/31/56/37/507315637.db2.gz BEZRSLVONZBZOX-RYGJVYDSSA-N 2 1 356.466 3.199 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000595145013 507408602 /nfs/dbraw/zinc/40/86/02/507408602.db2.gz YSASJRHVWNHLMF-ZWKOTPCHSA-N 2 1 353.514 3.089 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+](C)CC1 ZINC000584559564 507410271 /nfs/dbraw/zinc/41/02/71/507410271.db2.gz WUCYGKZMVCHUOG-PWRODBHTSA-N 3 1 373.610 3.314 20 0 FGADMP FC(F)C(F)(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000584689548 507451608 /nfs/dbraw/zinc/45/16/08/507451608.db2.gz SISIXARYDKRXIK-DLBZAZTESA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000584689548 507451616 /nfs/dbraw/zinc/45/16/16/507451616.db2.gz SISIXARYDKRXIK-DLBZAZTESA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584689548 507451624 /nfs/dbraw/zinc/45/16/24/507451624.db2.gz SISIXARYDKRXIK-DLBZAZTESA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000584689548 507451628 /nfs/dbraw/zinc/45/16/28/507451628.db2.gz SISIXARYDKRXIK-DLBZAZTESA-N 2 1 374.422 3.357 20 0 FGADMP CC(C)(C)OC(=O)c1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000610967215 507457864 /nfs/dbraw/zinc/45/78/64/507457864.db2.gz WZMXHDULMIUVBC-UHFFFAOYSA-N 2 1 353.466 3.359 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662077 507473422 /nfs/dbraw/zinc/47/34/22/507473422.db2.gz MAZQZGAFDJGXMT-SFTDATJTSA-N 2 1 372.557 3.114 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)n2c1CCCC2 ZINC000598642251 507528812 /nfs/dbraw/zinc/52/88/12/507528812.db2.gz TUAVQEQBORUDGP-KRWDZBQOSA-N 2 1 361.530 3.069 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n2c1CCCC2 ZINC000598642251 507528819 /nfs/dbraw/zinc/52/88/19/507528819.db2.gz TUAVQEQBORUDGP-KRWDZBQOSA-N 2 1 361.530 3.069 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)n2c1CCCC2 ZINC000598642253 507528932 /nfs/dbraw/zinc/52/89/32/507528932.db2.gz TUAVQEQBORUDGP-QGZVFWFLSA-N 2 1 361.530 3.069 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n2c1CCCC2 ZINC000598642253 507528939 /nfs/dbraw/zinc/52/89/39/507528939.db2.gz TUAVQEQBORUDGP-QGZVFWFLSA-N 2 1 361.530 3.069 20 0 FGADMP CCC(CC)(C[NH2+]C[C@H]1CNc2ccnn2C1)[NH2+][C@H](C)c1ccccc1 ZINC000606914716 507555251 /nfs/dbraw/zinc/55/52/51/507555251.db2.gz WBGFQJBSBKVMIB-MSOLQXFVSA-N 2 1 355.530 3.424 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055829 507599947 /nfs/dbraw/zinc/59/99/47/507599947.db2.gz GQKHDHUVHGJLRA-IBGZPJMESA-N 2 1 372.557 3.445 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000595637168 507607191 /nfs/dbraw/zinc/60/71/91/507607191.db2.gz XYIZNGVZBSLITM-KRWDZBQOSA-N 2 1 352.567 3.249 20 0 FGADMP Ic1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000592490483 507676193 /nfs/dbraw/zinc/67/61/93/507676193.db2.gz SDJXEWTVQPELBS-OAHLLOKOSA-N 2 1 370.278 3.113 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000592506010 507683728 /nfs/dbraw/zinc/68/37/28/507683728.db2.gz DBJPGUKPIGNRHG-FGTMMUONSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000592506010 507683736 /nfs/dbraw/zinc/68/37/36/507683736.db2.gz DBJPGUKPIGNRHG-FGTMMUONSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000592506010 507683742 /nfs/dbraw/zinc/68/37/42/507683742.db2.gz DBJPGUKPIGNRHG-FGTMMUONSA-N 2 1 364.578 3.059 20 0 FGADMP Cc1nc(NCc2ccccc2C[N@@H+]2CCCC[C@@H]2C)nc(N(C)C)n1 ZINC000488438815 516225029 /nfs/dbraw/zinc/22/50/29/516225029.db2.gz YQZLWAWFWPJYCA-HNNXBMFYSA-N 2 1 354.502 3.233 20 0 FGADMP Nc1nc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)nc2ccccc12 ZINC000519035637 516862823 /nfs/dbraw/zinc/86/28/23/516862823.db2.gz BCOYAFVDIZRPPD-MOPGFXCFSA-N 2 1 373.504 3.166 20 0 FGADMP CN(C)c1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000484829604 561306685 /nfs/dbraw/zinc/30/66/85/561306685.db2.gz MKQXHPTUHRNJGN-UHFFFAOYSA-N 2 1 369.513 3.026 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)N1CCCCCC1 ZINC000390843090 568319805 /nfs/dbraw/zinc/31/98/05/568319805.db2.gz DUZHAFLBYBDARS-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CCC([NH+]3CCCCC3)CC2)[nH+]1 ZINC000822193073 606200265 /nfs/dbraw/zinc/20/02/65/606200265.db2.gz KMAPBSYBLAKOKY-UHFFFAOYSA-N 2 1 355.490 3.088 20 0 FGADMP c1ccc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c(-c2nn[nH]n2)c1 ZINC000826519339 608363375 /nfs/dbraw/zinc/36/33/75/608363375.db2.gz UVPCEXMIMOQBER-RBUKOAKNSA-N 2 1 374.492 3.250 20 0 FGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000825435171 608532298 /nfs/dbraw/zinc/53/22/98/608532298.db2.gz OGCNUWXRUVEDCB-UHFFFAOYSA-N 2 1 368.460 3.090 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-c2nn[nH]n2)cc1F ZINC000825435171 608532300 /nfs/dbraw/zinc/53/23/00/608532300.db2.gz OGCNUWXRUVEDCB-UHFFFAOYSA-N 2 1 368.460 3.090 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585490 609133173 /nfs/dbraw/zinc/13/31/73/609133173.db2.gz RIIUIGFJUBIGKQ-HUUCEWRRSA-N 2 1 360.481 3.311 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000047978608 695871780 /nfs/dbraw/zinc/87/17/80/695871780.db2.gz KZLVWFISLLRJEG-UHFFFAOYSA-N 2 1 367.921 3.341 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092740569 700441121 /nfs/dbraw/zinc/44/11/21/700441121.db2.gz DHGIPRBVLBDAPT-SFHVURJKSA-N 2 1 367.331 3.263 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000105443808 700500905 /nfs/dbraw/zinc/50/09/05/700500905.db2.gz VGMNGEBVSWZCSU-LLVKDONJSA-N 2 1 366.259 3.109 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000125073881 700729862 /nfs/dbraw/zinc/72/98/62/700729862.db2.gz WLVKTUZAYJFTQZ-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000125073881 700729864 /nfs/dbraw/zinc/72/98/64/700729864.db2.gz WLVKTUZAYJFTQZ-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572836 705344964 /nfs/dbraw/zinc/34/49/64/705344964.db2.gz PONXFCIGPOEUKY-IEBWSBKVSA-N 2 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572836 705344967 /nfs/dbraw/zinc/34/49/67/705344967.db2.gz PONXFCIGPOEUKY-IEBWSBKVSA-N 3 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572836 705344974 /nfs/dbraw/zinc/34/49/74/705344974.db2.gz PONXFCIGPOEUKY-IEBWSBKVSA-N 3 1 362.587 3.134 20 0 FGADMP S=c1oc2ccccc2n1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174101919 705487030 /nfs/dbraw/zinc/48/70/30/705487030.db2.gz UIAPGKLFYGICDX-UHFFFAOYSA-N 2 1 361.511 3.498 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000177489214 705624754 /nfs/dbraw/zinc/62/47/54/705624754.db2.gz YEEPBEPURPZGRQ-RYRKJORJSA-N 2 1 351.535 3.238 20 0 FGADMP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192665678 712870018 /nfs/dbraw/zinc/87/00/18/712870018.db2.gz AQVXLDVHQZYDNM-CYBMUJFWSA-N 2 1 360.329 3.377 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175666 713548072 /nfs/dbraw/zinc/54/80/72/713548072.db2.gz RGPBJNZLVJFRFH-XLIONFOSSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175666 713548074 /nfs/dbraw/zinc/54/80/74/713548074.db2.gz RGPBJNZLVJFRFH-XLIONFOSSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175666 713548077 /nfs/dbraw/zinc/54/80/77/713548077.db2.gz RGPBJNZLVJFRFH-XLIONFOSSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)[C@@H](C[NH2+]C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000195188487 713548583 /nfs/dbraw/zinc/54/85/83/713548583.db2.gz LVIKBLASHMEEGY-YLJYHZDGSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000301466952 713782224 /nfs/dbraw/zinc/78/22/24/713782224.db2.gz XOJCDSLMPIYTCX-SQNIBIBYSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641802654 717931068 /nfs/dbraw/zinc/93/10/68/717931068.db2.gz AIHXFXDFYDMBDH-HJIKLVIJSA-N 2 1 363.811 3.401 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000385405792 713983163 /nfs/dbraw/zinc/98/31/63/713983163.db2.gz AEQMXHISTGOOJN-XWTMOSNGSA-N 2 1 351.535 3.429 20 0 FGADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCCCC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322450 714031615 /nfs/dbraw/zinc/03/16/15/714031615.db2.gz UDXNKFINGNUEOR-AIAJZDAFSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[NH+]1CCCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322450 714031617 /nfs/dbraw/zinc/03/16/17/714031617.db2.gz UDXNKFINGNUEOR-AIAJZDAFSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[NH+]1CCCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322450 714031619 /nfs/dbraw/zinc/03/16/19/714031619.db2.gz UDXNKFINGNUEOR-AIAJZDAFSA-N 2 1 354.579 3.119 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3sccc3Br)C2)CC1 ZINC000525686504 714367511 /nfs/dbraw/zinc/36/75/11/714367511.db2.gz YTTHNSSTPCHIMU-AWEZNQCLSA-N 2 1 372.376 3.111 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3sccc3Br)C2)CC1 ZINC000525686504 714367514 /nfs/dbraw/zinc/36/75/14/714367514.db2.gz YTTHNSSTPCHIMU-AWEZNQCLSA-N 2 1 372.376 3.111 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@H](C)C1 ZINC000525858848 714384148 /nfs/dbraw/zinc/38/41/48/714384148.db2.gz RLYSRQASKILPHA-MNEFBYGVSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(F)cc32)[C@H](C)C1 ZINC000525858848 714384150 /nfs/dbraw/zinc/38/41/50/714384150.db2.gz RLYSRQASKILPHA-MNEFBYGVSA-N 2 1 350.478 3.376 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3ccc(F)cc32)c2cccs2)CC1 ZINC000531678153 714425673 /nfs/dbraw/zinc/42/56/73/714425673.db2.gz CYVGCDNUMOJALY-OALUTQOASA-N 2 1 359.514 3.453 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534057163 714428264 /nfs/dbraw/zinc/42/82/64/714428264.db2.gz WMLJGGFNJZRYTO-BMGDILEWSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534057163 714428268 /nfs/dbraw/zinc/42/82/68/714428268.db2.gz WMLJGGFNJZRYTO-BMGDILEWSA-N 2 1 366.937 3.115 20 0 FGADMP CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505454 714663552 /nfs/dbraw/zinc/66/35/52/714663552.db2.gz CWKUTSJLHARWLG-AWEZNQCLSA-N 2 1 371.978 3.454 20 0 FGADMP CCSc1ccc(Cl)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505454 714663553 /nfs/dbraw/zinc/66/35/53/714663553.db2.gz CWKUTSJLHARWLG-AWEZNQCLSA-N 2 1 371.978 3.454 20 0 FGADMP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(Br)cn1 ZINC000621271563 714976041 /nfs/dbraw/zinc/97/60/41/714976041.db2.gz MEHNOYMSWIHLIK-UHFFFAOYSA-N 2 1 370.335 3.407 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623360611 715318534 /nfs/dbraw/zinc/31/85/34/715318534.db2.gz QRMSBASYQBXBAA-RDJZCZTQSA-N 2 1 350.503 3.244 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623360611 715318540 /nfs/dbraw/zinc/31/85/40/715318540.db2.gz QRMSBASYQBXBAA-RDJZCZTQSA-N 2 1 350.503 3.244 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)CC1(C)C ZINC000623363396 715318848 /nfs/dbraw/zinc/31/88/48/715318848.db2.gz RHIMWHOVEYZZEH-KRWDZBQOSA-N 2 1 351.485 3.392 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377044 715321159 /nfs/dbraw/zinc/32/11/59/715321159.db2.gz LKNVSADIFAOSPT-OLZOCXBDSA-N 2 1 361.313 3.196 20 0 FGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888670 715424744 /nfs/dbraw/zinc/42/47/44/715424744.db2.gz PKPATUGQOJOHCK-FUHWJXTLSA-N 2 1 351.560 3.383 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120663 715477251 /nfs/dbraw/zinc/47/72/51/715477251.db2.gz DPCQKGXKXCDBMD-IRXDYDNUSA-N 2 1 365.949 3.399 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccs1 ZINC000624548434 715553945 /nfs/dbraw/zinc/55/39/45/715553945.db2.gz OSQSEEDQWVVBFR-DLBZAZTESA-N 2 1 364.559 3.057 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574665 715754030 /nfs/dbraw/zinc/75/40/30/715754030.db2.gz WINIRLPHQZUQDU-BEFAXECRSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574665 715754034 /nfs/dbraw/zinc/75/40/34/715754034.db2.gz WINIRLPHQZUQDU-BEFAXECRSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626040509 715834638 /nfs/dbraw/zinc/83/46/38/715834638.db2.gz GUGQGHXPDPYYLK-XUWXXGDYSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000626040509 715834663 /nfs/dbraw/zinc/83/46/63/715834663.db2.gz GUGQGHXPDPYYLK-XUWXXGDYSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000626040509 715834667 /nfs/dbraw/zinc/83/46/67/715834667.db2.gz GUGQGHXPDPYYLK-XUWXXGDYSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000626040509 715834670 /nfs/dbraw/zinc/83/46/70/715834670.db2.gz GUGQGHXPDPYYLK-XUWXXGDYSA-N 2 1 367.331 3.082 20 0 FGADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Br)cc32)CCOCC1 ZINC000629520813 716302483 /nfs/dbraw/zinc/30/24/83/716302483.db2.gz IMXBYYSWJVWCHK-ZDUSSCGKSA-N 2 1 357.317 3.084 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(C(F)F)nc2)c2cccs2)CC1 ZINC000631030771 716550999 /nfs/dbraw/zinc/55/09/99/716550999.db2.gz ZAYKVKVZRDLFFQ-INIZCTEOSA-N 2 1 366.481 3.159 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841746 716688636 /nfs/dbraw/zinc/68/86/36/716688636.db2.gz PDZDKABYDOSCQU-NQBHXWOUSA-N 2 1 354.376 3.343 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841746 716688639 /nfs/dbraw/zinc/68/86/39/716688639.db2.gz PDZDKABYDOSCQU-NQBHXWOUSA-N 2 1 354.376 3.343 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178076 717417202 /nfs/dbraw/zinc/41/72/02/717417202.db2.gz FAKHYBNLVXRJKH-KURKYZTESA-N 2 1 356.432 3.475 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000638334474 717435813 /nfs/dbraw/zinc/43/58/13/717435813.db2.gz APDKTHYMBDPLMR-LBPRGKRZSA-N 2 1 355.408 3.169 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000644547392 718121884 /nfs/dbraw/zinc/12/18/84/718121884.db2.gz SGNRRNPWVDHNHJ-QGZVFWFLSA-N 2 1 361.555 3.066 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000644547392 718121887 /nfs/dbraw/zinc/12/18/87/718121887.db2.gz SGNRRNPWVDHNHJ-QGZVFWFLSA-N 2 1 361.555 3.066 20 0 FGADMP CC1(C)Cc2c(cccc2Br)[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000644770927 718152347 /nfs/dbraw/zinc/15/23/47/718152347.db2.gz ZQKYSEOYWSQQEY-DYVFJYSZSA-N 2 1 367.331 3.119 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2OCC2CC2)CC12CCOCC2 ZINC000647545450 718366888 /nfs/dbraw/zinc/36/68/88/718366888.db2.gz LTCRSCQZBVCAPJ-QGZVFWFLSA-N 2 1 364.917 3.316 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2OCC2CC2)CC12CCOCC2 ZINC000647545450 718366892 /nfs/dbraw/zinc/36/68/92/718366892.db2.gz LTCRSCQZBVCAPJ-QGZVFWFLSA-N 2 1 364.917 3.316 20 0 FGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975653 718390872 /nfs/dbraw/zinc/39/08/72/718390872.db2.gz DDAIPNQFAKMEQP-CVEARBPZSA-N 2 1 360.527 3.442 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278610 718500878 /nfs/dbraw/zinc/50/08/78/718500878.db2.gz PXYOLLWXSSFPKL-RBUKOAKNSA-N 2 1 357.885 3.293 20 0 FGADMP Fc1ccccc1-c1ccc(C[NH+]2CCN(C[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000649411616 718512565 /nfs/dbraw/zinc/51/25/65/718512565.db2.gz LPGFCUKJDBVDJP-MRXNPFEDSA-N 2 1 359.514 3.281 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705267 718716517 /nfs/dbraw/zinc/71/65/17/718716517.db2.gz ASOBALZSUJJYDI-KYOSRNDESA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC000650705717 718716776 /nfs/dbraw/zinc/71/67/76/718716776.db2.gz STXRKIDVAWZLNX-INMHGKMJSA-N 2 1 353.304 3.167 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707930 718717598 /nfs/dbraw/zinc/71/75/98/718717598.db2.gz QDICMGHYXICPAE-ZVZYQTTQSA-N 2 1 352.906 3.457 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000650707682 718717689 /nfs/dbraw/zinc/71/76/89/718717689.db2.gz KSUCRHQELMKLDU-SCRDCRAPSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723728 718721180 /nfs/dbraw/zinc/72/11/80/718721180.db2.gz SJEHPAMWESFKBN-SQNIBIBYSA-N 2 1 350.890 3.136 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355301 718936302 /nfs/dbraw/zinc/93/63/02/718936302.db2.gz UDWFPOXTIBJOQF-RVKKMQEKSA-N 2 1 351.922 3.309 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CC[NH3+] ZINC000652354441 718936366 /nfs/dbraw/zinc/93/63/66/718936366.db2.gz YRIMNLNEYHOFDN-BBRMVZONSA-N 2 1 368.319 3.227 20 0 FGADMP C[C@@H]1CN(c2ccc3c(n2)CC[NH+](Cc2ccccc2)C3)[C@@H](C)C[N@H+]1C ZINC001164631040 719181095 /nfs/dbraw/zinc/18/10/95/719181095.db2.gz ADUJXSUMFMTPGN-MSOLQXFVSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@@H]1CN(c2ccc3c(n2)CC[N@@H+](Cc2ccccc2)C3)[C@@H](C)C[NH+]1C ZINC001164631040 719181102 /nfs/dbraw/zinc/18/11/02/719181102.db2.gz ADUJXSUMFMTPGN-MSOLQXFVSA-N 2 1 350.510 3.169 20 0 FGADMP C[C@@H]1CN(c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)[C@@H](C)C[NH+]1C ZINC001164631040 719181106 /nfs/dbraw/zinc/18/11/06/719181106.db2.gz ADUJXSUMFMTPGN-MSOLQXFVSA-N 2 1 350.510 3.169 20 0 FGADMP Brc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655772244 719337632 /nfs/dbraw/zinc/33/76/32/719337632.db2.gz DRSNANBHTOBGBT-LPQSXRFUSA-N 2 1 365.315 3.305 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2ccnc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681813 719603076 /nfs/dbraw/zinc/60/30/76/719603076.db2.gz AOIXZAXXLPPNML-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2ccnc(Cl)c2)c2c1CC[NH2+]C2 ZINC001164681813 719603082 /nfs/dbraw/zinc/60/30/82/719603082.db2.gz AOIXZAXXLPPNML-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP O[C@]1(C[NH2+]Cc2cc3ccncc3s2)CC[N@H+](Cc2ccccc2)C1 ZINC000657373563 719635666 /nfs/dbraw/zinc/63/56/66/719635666.db2.gz ZELVAUGTRYDQLQ-FQEVSTJZSA-N 2 1 353.491 3.023 20 0 FGADMP O[C@]1(C[NH2+]Cc2cc3ccncc3s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000657373563 719635668 /nfs/dbraw/zinc/63/56/68/719635668.db2.gz ZELVAUGTRYDQLQ-FQEVSTJZSA-N 2 1 353.491 3.023 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000657750288 719703681 /nfs/dbraw/zinc/70/36/81/719703681.db2.gz GERUMYXINPWONO-INIZCTEOSA-N 2 1 353.304 3.100 20 0 FGADMP C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151194 720384381 /nfs/dbraw/zinc/38/43/81/720384381.db2.gz FTVXWLLIYVOYTB-KSSFIOAISA-N 2 1 356.432 3.340 20 0 FGADMP C[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151194 720384386 /nfs/dbraw/zinc/38/43/86/720384386.db2.gz FTVXWLLIYVOYTB-KSSFIOAISA-N 2 1 356.432 3.340 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285547 720409852 /nfs/dbraw/zinc/40/98/52/720409852.db2.gz LJFCFGSSKFOZRK-FRFSOERESA-N 2 1 356.482 3.275 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662397033 720424674 /nfs/dbraw/zinc/42/46/74/720424674.db2.gz SSHZXLRGEUUGOE-SUMWQHHRSA-N 2 1 370.324 3.341 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483620 720433479 /nfs/dbraw/zinc/43/34/79/720433479.db2.gz XGNSIXSRMRPHFU-LRDDRELGSA-N 2 1 358.313 3.054 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483620 720433483 /nfs/dbraw/zinc/43/34/83/720433483.db2.gz XGNSIXSRMRPHFU-LRDDRELGSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000662824498 720461603 /nfs/dbraw/zinc/46/16/03/720461603.db2.gz WCKHFCHRRBZBCN-XHDPSFHLSA-N 2 1 356.297 3.045 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455774 720517075 /nfs/dbraw/zinc/51/70/75/720517075.db2.gz UDYNDHVZHNTBRJ-WMLDXEAASA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455774 720517079 /nfs/dbraw/zinc/51/70/79/720517079.db2.gz UDYNDHVZHNTBRJ-WMLDXEAASA-N 2 1 366.937 3.115 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468788 720517826 /nfs/dbraw/zinc/51/78/26/720517826.db2.gz MSMZIKSJVXKDJM-ZBFHGGJFSA-N 2 1 368.518 3.002 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468788 720517829 /nfs/dbraw/zinc/51/78/29/720517829.db2.gz MSMZIKSJVXKDJM-ZBFHGGJFSA-N 2 1 368.518 3.002 20 0 FGADMP CCSc1cccc(F)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000667122565 721035025 /nfs/dbraw/zinc/03/50/25/721035025.db2.gz HHSXODDQGVOWFW-AWEZNQCLSA-N 2 1 370.538 3.331 20 0 FGADMP CCSc1cccc(F)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000667122565 721035028 /nfs/dbraw/zinc/03/50/28/721035028.db2.gz HHSXODDQGVOWFW-AWEZNQCLSA-N 2 1 370.538 3.331 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C(F)F)ccc1F ZINC000667287483 721067935 /nfs/dbraw/zinc/06/79/35/721067935.db2.gz IPKMPXVQRBMQOV-LBPRGKRZSA-N 2 1 360.424 3.157 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(C(F)F)ccc1F ZINC000667287483 721067939 /nfs/dbraw/zinc/06/79/39/721067939.db2.gz IPKMPXVQRBMQOV-LBPRGKRZSA-N 2 1 360.424 3.157 20 0 FGADMP CN(C)c1cccc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)[nH+]1 ZINC001164793538 721490738 /nfs/dbraw/zinc/49/07/38/721490738.db2.gz SKKSCTYPYWQBIQ-UHFFFAOYSA-N 2 1 365.525 3.424 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672620776 721639463 /nfs/dbraw/zinc/63/94/63/721639463.db2.gz RNUDOZGSMZTFND-QRFRQXIXSA-N 2 1 368.949 3.143 20 0 FGADMP CC(C)(CO)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000676878294 721840462 /nfs/dbraw/zinc/84/04/62/721840462.db2.gz UVRUKZLFSMAGEG-UHFFFAOYSA-N 2 1 353.388 3.147 20 0 FGADMP Cc1ccc(C[N@@H+]2CCOC3(CCN(c4[nH+]cc(C)cc4N)CC3)C2)cc1 ZINC001164939689 721929863 /nfs/dbraw/zinc/92/98/63/721929863.db2.gz ONWBKSNGBAYKQD-UHFFFAOYSA-N 2 1 366.509 3.152 20 0 FGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4[nH+]cc(C)cc4N)CC3)C2)cc1 ZINC001164939689 721929866 /nfs/dbraw/zinc/92/98/66/721929866.db2.gz ONWBKSNGBAYKQD-UHFFFAOYSA-N 2 1 366.509 3.152 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)n1 ZINC000678411648 721957305 /nfs/dbraw/zinc/95/73/05/721957305.db2.gz IFBYAVFINIFLQJ-LPHOPBHVSA-N 2 1 358.555 3.399 20 0 FGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600172 721966735 /nfs/dbraw/zinc/96/67/35/721966735.db2.gz JMUJUELSLKRDHJ-SZMVWBNQSA-N 2 1 356.432 3.073 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3nccs3)cc2)C[C@H]1C ZINC000678733350 721974728 /nfs/dbraw/zinc/97/47/28/721974728.db2.gz IOKNHPYNXBKQMR-CALCHBBNSA-N 2 1 359.539 3.442 20 0 FGADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc4c(n2)CC[NH2+]C4)C3)c1 ZINC001164995044 722193957 /nfs/dbraw/zinc/19/39/57/722193957.db2.gz RNDDRBZQHKJGBL-QFIPXVFZSA-N 2 1 366.484 3.111 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000720621499 722419408 /nfs/dbraw/zinc/41/94/08/722419408.db2.gz FGXIRYNIVDDHEX-CSNJMZFVSA-N 2 1 351.535 3.096 20 0 FGADMP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000729352125 722459107 /nfs/dbraw/zinc/45/91/07/722459107.db2.gz KKQYGDGTOPPFMX-GOSISDBHSA-N 2 1 363.571 3.342 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577780 722814546 /nfs/dbraw/zinc/81/45/46/722814546.db2.gz VLNPTYBUHFZNII-KEYYUXOJSA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577780 722814548 /nfs/dbraw/zinc/81/45/48/722814548.db2.gz VLNPTYBUHFZNII-KEYYUXOJSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577780 722814550 /nfs/dbraw/zinc/81/45/50/722814550.db2.gz VLNPTYBUHFZNII-KEYYUXOJSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Br)C[C@H]1C ZINC000751577780 722814552 /nfs/dbraw/zinc/81/45/52/722814552.db2.gz VLNPTYBUHFZNII-KEYYUXOJSA-N 2 1 355.320 3.287 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754374692 722936314 /nfs/dbraw/zinc/93/63/14/722936314.db2.gz IDOSVVSTRHJPCL-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791623972 723266022 /nfs/dbraw/zinc/26/60/22/723266022.db2.gz WLGLKFZEXQFATH-ZVDOUQERSA-N 2 1 356.897 3.437 20 0 FGADMP O[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791623972 723266026 /nfs/dbraw/zinc/26/60/26/723266026.db2.gz WLGLKFZEXQFATH-ZVDOUQERSA-N 2 1 356.897 3.437 20 0 FGADMP O[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791623972 723266031 /nfs/dbraw/zinc/26/60/31/723266031.db2.gz WLGLKFZEXQFATH-ZVDOUQERSA-N 2 1 356.897 3.437 20 0 FGADMP O[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccc(Cl)cc1 ZINC000791623972 723266036 /nfs/dbraw/zinc/26/60/36/723266036.db2.gz WLGLKFZEXQFATH-ZVDOUQERSA-N 2 1 356.897 3.437 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817953 723542794 /nfs/dbraw/zinc/54/27/94/723542794.db2.gz PQLOFULBBCGVQP-VDGAXYAQSA-N 2 1 368.949 3.274 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000796366430 723634765 /nfs/dbraw/zinc/63/47/65/723634765.db2.gz LNQZPGGEOHMFAL-FQEVSTJZSA-N 2 1 358.555 3.207 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000796366430 723634767 /nfs/dbraw/zinc/63/47/67/723634767.db2.gz LNQZPGGEOHMFAL-FQEVSTJZSA-N 2 1 358.555 3.207 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)[C@@H]2CCC[C@@H]21 ZINC000796736800 723652633 /nfs/dbraw/zinc/65/26/33/723652633.db2.gz HPMCCPJLPMLPMW-QAETUUGQSA-N 2 1 358.404 3.081 20 0 FGADMP CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000774876709 723937463 /nfs/dbraw/zinc/93/74/63/723937463.db2.gz REUAWPHWJUIUNR-SFHVURJKSA-N 2 1 353.551 3.489 20 0 FGADMP CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000774876709 723937464 /nfs/dbraw/zinc/93/74/64/723937464.db2.gz REUAWPHWJUIUNR-SFHVURJKSA-N 2 1 353.551 3.489 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000799336846 724013516 /nfs/dbraw/zinc/01/35/16/724013516.db2.gz OYOMXKOARCFVQR-HNNXBMFYSA-N 2 1 352.404 3.430 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]n1 ZINC000799336846 724013518 /nfs/dbraw/zinc/01/35/18/724013518.db2.gz OYOMXKOARCFVQR-HNNXBMFYSA-N 2 1 352.404 3.430 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800381565 724188941 /nfs/dbraw/zinc/18/89/41/724188941.db2.gz BCGNXXUKASFLNM-UHFFFAOYSA-N 2 1 350.507 3.024 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000800381565 724188943 /nfs/dbraw/zinc/18/89/43/724188943.db2.gz BCGNXXUKASFLNM-UHFFFAOYSA-N 2 1 350.507 3.024 20 0 FGADMP C[NH+](C)CCCCCOC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000786432598 724978801 /nfs/dbraw/zinc/97/88/01/724978801.db2.gz XIUJKAXDIOTALW-UHFFFAOYSA-N 2 1 352.385 3.094 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCCC[C@@H]1C ZINC000788526845 725070678 /nfs/dbraw/zinc/07/06/78/725070678.db2.gz FXCWZAMIEKLSAM-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCCC[C@@H]1C ZINC000788526845 725070680 /nfs/dbraw/zinc/07/06/80/725070680.db2.gz FXCWZAMIEKLSAM-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826636 725098612 /nfs/dbraw/zinc/09/86/12/725098612.db2.gz FNLYLDFTCOGORH-OALUTQOASA-N 2 1 351.535 3.384 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826636 725098615 /nfs/dbraw/zinc/09/86/15/725098615.db2.gz FNLYLDFTCOGORH-OALUTQOASA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826636 725098617 /nfs/dbraw/zinc/09/86/17/725098617.db2.gz FNLYLDFTCOGORH-OALUTQOASA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1COC(=O)NC1CCCCC1 ZINC000805826636 725098620 /nfs/dbraw/zinc/09/86/20/725098620.db2.gz FNLYLDFTCOGORH-OALUTQOASA-N 2 1 351.535 3.384 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000809567609 725248300 /nfs/dbraw/zinc/24/83/00/725248300.db2.gz LINXYIHSEAHGMM-QGZVFWFLSA-N 2 1 350.576 3.293 20 0 FGADMP CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000809579945 725249107 /nfs/dbraw/zinc/24/91/07/725249107.db2.gz CSKQARJFGXAQBT-KRWDZBQOSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000809579945 725249108 /nfs/dbraw/zinc/24/91/08/725249108.db2.gz CSKQARJFGXAQBT-KRWDZBQOSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)(C)OC(=O)N(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000809579947 725249169 /nfs/dbraw/zinc/24/91/69/725249169.db2.gz CSKQARJFGXAQBT-QGZVFWFLSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)(C)OC(=O)N(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C(C)(C)C ZINC000809579947 725249170 /nfs/dbraw/zinc/24/91/70/725249170.db2.gz CSKQARJFGXAQBT-QGZVFWFLSA-N 2 1 353.551 3.440 20 0 FGADMP CC[N@H+](Cc1cc(Br)nn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739023 725264167 /nfs/dbraw/zinc/26/41/67/725264167.db2.gz UQGONWMPZGAYHJ-UHFFFAOYSA-N 2 1 365.319 3.266 20 0 FGADMP CC[N@@H+](Cc1cc(Br)nn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000809739023 725264169 /nfs/dbraw/zinc/26/41/69/725264169.db2.gz UQGONWMPZGAYHJ-UHFFFAOYSA-N 2 1 365.319 3.266 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810485997 725310308 /nfs/dbraw/zinc/31/03/08/725310308.db2.gz HAVXWFCDUWOQGQ-FQEVSTJZSA-N 2 1 355.542 3.073 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000813326785 726861887 /nfs/dbraw/zinc/86/18/87/726861887.db2.gz XPCMZXVZOUZEKH-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP O[C@H]1CCC[NH+](CCCCCCCCC[N@@H+]2CCC[C@H](O)CC2)CC1 ZINC000815301198 727062492 /nfs/dbraw/zinc/06/24/92/727062492.db2.gz TZJVXKUZXWBDSF-SFTDATJTSA-N 2 1 354.579 3.411 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000818966206 727331837 /nfs/dbraw/zinc/33/18/37/727331837.db2.gz OKDGYCKDHFCHQR-WBMJQRKESA-N 2 1 357.376 3.049 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819101856 727347644 /nfs/dbraw/zinc/34/76/44/727347644.db2.gz ZKYXDBZDFFKFFQ-MRXNPFEDSA-N 2 1 352.276 3.057 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152227 727352867 /nfs/dbraw/zinc/35/28/67/727352867.db2.gz OQCLVJVHFCBVFW-WMLDXEAASA-N 2 1 360.420 3.186 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccccc1Br ZINC000819278593 727363887 /nfs/dbraw/zinc/36/38/87/727363887.db2.gz RWTISJXVRKJXOW-MQBCKMQZSA-N 2 1 353.304 3.089 20 0 FGADMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000819361178 727371158 /nfs/dbraw/zinc/37/11/58/727371158.db2.gz HTDZHURZVJMQGU-INIZCTEOSA-N 2 1 359.283 3.086 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822451567 729176436 /nfs/dbraw/zinc/17/64/36/729176436.db2.gz MDJDWUDVBKFKID-HLLBOEOZSA-N 2 1 350.507 3.205 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000823649876 729295861 /nfs/dbraw/zinc/29/58/61/729295861.db2.gz VKWQSULGWNEMGD-NUJGCVRESA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831481859 729645337 /nfs/dbraw/zinc/64/53/37/729645337.db2.gz WBMPCLJDMHPQCM-RDTXWAMCSA-N 2 1 355.885 3.107 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000831509017 729647514 /nfs/dbraw/zinc/64/75/14/729647514.db2.gz CJHOMVWHGGWINH-SFHVURJKSA-N 2 1 354.897 3.143 20 0 FGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895100 729844628 /nfs/dbraw/zinc/84/46/28/729844628.db2.gz YRKVBFWIFCJFOY-FVAVCCDCSA-N 2 1 351.535 3.379 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808729 730177350 /nfs/dbraw/zinc/17/73/50/730177350.db2.gz OPEDWRSWZMFJEZ-KBPBESRZSA-N 2 1 360.470 3.065 20 0 FGADMP C[N@@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)C1CCC([NH3+])CC1 ZINC000843055353 730574695 /nfs/dbraw/zinc/57/46/95/730574695.db2.gz ZYGIWXVWECSEBN-UHFFFAOYSA-N 2 1 354.285 3.276 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843355084 730609883 /nfs/dbraw/zinc/60/98/83/730609883.db2.gz LQWLGXJAGZDRGS-UHFFFAOYSA-N 2 1 358.313 3.154 20 0 FGADMP C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCC([NH3+])CC1 ZINC000843355803 730609932 /nfs/dbraw/zinc/60/99/32/730609932.db2.gz XNVMHEMLYXEIGK-UHFFFAOYSA-N 2 1 354.376 3.457 20 0 FGADMP C[N@@H+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)C1CCC([NH3+])CC1 ZINC000843352957 730610121 /nfs/dbraw/zinc/61/01/21/730610121.db2.gz OQKFWLBSOHXJRV-UHFFFAOYSA-N 2 1 363.811 3.499 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403424 730713582 /nfs/dbraw/zinc/71/35/82/730713582.db2.gz VZYHOWIGRNAPFA-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844403424 730713584 /nfs/dbraw/zinc/71/35/84/730713584.db2.gz VZYHOWIGRNAPFA-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927935 730910233 /nfs/dbraw/zinc/91/02/33/730910233.db2.gz ZESFNQBZYBRRML-KNXWPPODSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927935 730910234 /nfs/dbraw/zinc/91/02/34/730910234.db2.gz ZESFNQBZYBRRML-KNXWPPODSA-N 2 1 353.551 3.390 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000846856404 730988228 /nfs/dbraw/zinc/98/82/28/730988228.db2.gz GCODXDDDDFTNED-NVXWUHKLSA-N 2 1 350.507 3.026 20 0 FGADMP CO[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539404 /nfs/dbraw/zinc/53/94/04/731539404.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 2 1 350.547 3.299 20 0 FGADMP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539408 /nfs/dbraw/zinc/53/94/08/731539408.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 2 1 350.547 3.299 20 0 FGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057323 731539411 /nfs/dbraw/zinc/53/94/11/731539411.db2.gz KZSGVPMTURJZGK-XDWAVFMPSA-N 2 1 350.547 3.299 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(Cl)n1 ZINC000856795218 732061929 /nfs/dbraw/zinc/06/19/29/732061929.db2.gz CHTJSEKPQCUBKO-GOSISDBHSA-N 2 1 358.917 3.465 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(Cl)n1 ZINC000856795218 732061937 /nfs/dbraw/zinc/06/19/37/732061937.db2.gz CHTJSEKPQCUBKO-GOSISDBHSA-N 2 1 358.917 3.465 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C)nc2Br)C1 ZINC000858099442 732180517 /nfs/dbraw/zinc/18/05/17/732180517.db2.gz NGCAXBCVJVZFHG-OKILXGFUSA-N 2 1 357.340 3.030 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000859215237 732291050 /nfs/dbraw/zinc/29/10/50/732291050.db2.gz ZLKCHHGWJOJSCO-UHFFFAOYSA-N 2 1 359.901 3.150 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCc2ccc(Cl)cc2)cc1 ZINC000859215237 732291055 /nfs/dbraw/zinc/29/10/55/732291055.db2.gz ZLKCHHGWJOJSCO-UHFFFAOYSA-N 2 1 359.901 3.150 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859962273 732424825 /nfs/dbraw/zinc/42/48/25/732424825.db2.gz NJYKEXQDOUGRDS-HFTRVMKXSA-N 2 1 367.331 3.084 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859962273 732424830 /nfs/dbraw/zinc/42/48/30/732424830.db2.gz NJYKEXQDOUGRDS-HFTRVMKXSA-N 2 1 367.331 3.084 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)CC(F)(F)F ZINC000865416502 733195335 /nfs/dbraw/zinc/19/53/35/733195335.db2.gz AJKFDRVIWUGFKX-RDBSUJKOSA-N 2 1 365.440 3.049 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@H](C)C1 ZINC000872129288 735593747 /nfs/dbraw/zinc/59/37/47/735593747.db2.gz XIFZJXQONKHGAL-WKULXVSPSA-N 2 1 351.535 3.094 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(Cl)ccc1Br ZINC000876915761 736162501 /nfs/dbraw/zinc/16/25/01/736162501.db2.gz AVAUQEDNUWGRKX-JTQLQIEISA-N 2 1 357.683 3.428 20 0 FGADMP C([C@H]1CC2(CO1)CCOCC2)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878048587 736763022 /nfs/dbraw/zinc/76/30/22/736763022.db2.gz COKASMNBERZUFO-VQTJNVASSA-N 2 1 350.547 3.160 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107489 736772517 /nfs/dbraw/zinc/77/25/17/736772517.db2.gz PUMWGWUYJWNEEI-AQNXPRMDSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107489 736772521 /nfs/dbraw/zinc/77/25/21/736772521.db2.gz PUMWGWUYJWNEEI-AQNXPRMDSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107489 736772524 /nfs/dbraw/zinc/77/25/24/736772524.db2.gz PUMWGWUYJWNEEI-AQNXPRMDSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000878107489 736772527 /nfs/dbraw/zinc/77/25/27/736772527.db2.gz PUMWGWUYJWNEEI-AQNXPRMDSA-N 2 1 350.547 3.159 20 0 FGADMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576354 737009755 /nfs/dbraw/zinc/00/97/55/737009755.db2.gz BSPOAZGGLSWFLB-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576354 737009762 /nfs/dbraw/zinc/00/97/62/737009762.db2.gz BSPOAZGGLSWFLB-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576354 737009766 /nfs/dbraw/zinc/00/97/66/737009766.db2.gz BSPOAZGGLSWFLB-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576354 737009781 /nfs/dbraw/zinc/00/97/81/737009781.db2.gz BSPOAZGGLSWFLB-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@H]21 ZINC000879576354 737009785 /nfs/dbraw/zinc/00/97/85/737009785.db2.gz BSPOAZGGLSWFLB-XJKSGUPXSA-N 2 1 355.404 3.060 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000879673718 737030248 /nfs/dbraw/zinc/03/02/48/737030248.db2.gz ZPZWUXJEQGPSSA-KURKYZTESA-N 2 1 354.416 3.110 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000879673718 737030249 /nfs/dbraw/zinc/03/02/49/737030249.db2.gz ZPZWUXJEQGPSSA-KURKYZTESA-N 2 1 354.416 3.110 20 0 FGADMP C(=C/C[N@H+]1CC[C@@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319182 737154942 /nfs/dbraw/zinc/15/49/42/737154942.db2.gz CCPUHYXATKEPEP-YVFUIXNUSA-N 2 1 360.552 3.435 20 0 FGADMP C(=C/C[N@@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319182 737154946 /nfs/dbraw/zinc/15/49/46/737154946.db2.gz CCPUHYXATKEPEP-YVFUIXNUSA-N 2 1 360.552 3.435 20 0 FGADMP C(=C/C[N@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@@H](c2nccs2)C1 ZINC000880319182 737154953 /nfs/dbraw/zinc/15/49/53/737154953.db2.gz CCPUHYXATKEPEP-YVFUIXNUSA-N 2 1 360.552 3.435 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000882985257 737508261 /nfs/dbraw/zinc/50/82/61/737508261.db2.gz OXVDLTBYMQGPHG-UHFFFAOYSA-N 2 1 352.935 3.067 20 0 FGADMP Cc1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)sc1Br ZINC000883040942 737515217 /nfs/dbraw/zinc/51/52/17/737515217.db2.gz SZDKZXGKYMAQNG-FGWVZKOKSA-N 2 1 373.320 3.085 20 0 FGADMP Cc1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)sc1Br ZINC000883040942 737515219 /nfs/dbraw/zinc/51/52/19/737515219.db2.gz SZDKZXGKYMAQNG-FGWVZKOKSA-N 2 1 373.320 3.085 20 0 FGADMP CCC[C@@H](C)CCNC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000883877414 737610737 /nfs/dbraw/zinc/61/07/37/737610737.db2.gz LWEZDZIGSXFMRL-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[C@@H](C)CCNC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000883877414 737610740 /nfs/dbraw/zinc/61/07/40/737610740.db2.gz LWEZDZIGSXFMRL-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000884226546 737645150 /nfs/dbraw/zinc/64/51/50/737645150.db2.gz WGHBRFDJRBJJMI-OIISXLGYSA-N 2 1 351.560 3.257 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000892608984 740022264 /nfs/dbraw/zinc/02/22/64/740022264.db2.gz SYMXLXSRLVAVDU-JKSUJKDBSA-N 2 1 366.303 3.124 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000892608984 740022269 /nfs/dbraw/zinc/02/22/69/740022269.db2.gz SYMXLXSRLVAVDU-JKSUJKDBSA-N 2 1 366.303 3.124 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892608982 740022559 /nfs/dbraw/zinc/02/25/59/740022559.db2.gz SYMXLXSRLVAVDU-HOTGVXAUSA-N 2 1 366.303 3.124 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892608982 740022563 /nfs/dbraw/zinc/02/25/63/740022563.db2.gz SYMXLXSRLVAVDU-HOTGVXAUSA-N 2 1 366.303 3.124 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@]1(C)CCCN(C(=O)OC(C)(C)C)C1 ZINC000892621074 740023569 /nfs/dbraw/zinc/02/35/69/740023569.db2.gz DRTDUFXJXBKPON-IBGZPJMESA-N 2 1 350.507 3.208 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)C[C@H]1C(F)(F)F ZINC000892741442 740039425 /nfs/dbraw/zinc/03/94/25/740039425.db2.gz AXWXQVHQRIKVED-CAOSSQGBSA-N 2 1 364.452 3.218 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C[C@]3(C)Br)CCCC2)CC1 ZINC000892971771 740064643 /nfs/dbraw/zinc/06/46/43/740064643.db2.gz UFIDESVUXRUHRO-HOCLYGCPSA-N 2 1 359.352 3.173 20 0 FGADMP CCN1CCC([N@H+]2CCCN(Cc3cc(C)cnc3Cl)CC2)CC1 ZINC000894977396 742358570 /nfs/dbraw/zinc/35/85/70/742358570.db2.gz JRABPBHYCPEEKB-UHFFFAOYSA-N 2 1 350.938 3.035 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H]1C(F)(F)F ZINC000895587367 742430275 /nfs/dbraw/zinc/43/02/75/742430275.db2.gz QBJJSHZDJLZRPY-QKPAOTATSA-N 2 1 364.452 3.218 20 0 FGADMP CCO/C=C/[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000895709593 742443975 /nfs/dbraw/zinc/44/39/75/742443975.db2.gz HBBGEIRDNOKAQY-JIIJFUIFSA-N 2 1 364.452 3.217 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)s1 ZINC000903758771 743881087 /nfs/dbraw/zinc/88/10/87/743881087.db2.gz MHXGEYVGMWNPNC-XEZPLFJOSA-N 2 1 371.344 3.416 20 0 FGADMP c1ccc2sc(C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C3CC3)nc2c1 ZINC000903786873 743883996 /nfs/dbraw/zinc/88/39/96/743883996.db2.gz PZPHVJVEPZCUQW-INIZCTEOSA-N 2 1 357.523 3.419 20 0 FGADMP c1ccc2sc(C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C3CC3)nc2c1 ZINC000903786873 743884001 /nfs/dbraw/zinc/88/40/01/743884001.db2.gz PZPHVJVEPZCUQW-INIZCTEOSA-N 2 1 357.523 3.419 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000903843891 743887680 /nfs/dbraw/zinc/88/76/80/743887680.db2.gz WIIIKCOOHVWUHS-AVGNSLFASA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000903843891 743887685 /nfs/dbraw/zinc/88/76/85/743887685.db2.gz WIIIKCOOHVWUHS-AVGNSLFASA-N 2 1 362.271 3.416 20 0 FGADMP C[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000903921575 743897781 /nfs/dbraw/zinc/89/77/81/743897781.db2.gz PMWBILURYFNGMW-NWDGAFQWSA-N 2 1 354.285 3.360 20 0 FGADMP [NH3+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000904659957 743966812 /nfs/dbraw/zinc/96/68/12/743966812.db2.gz QWAXOKFQTGGOBC-HNNXBMFYSA-N 2 1 358.511 3.241 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](Cc3ccsc3)CC2)CC[N@H+]1C ZINC000948388817 762328915 /nfs/dbraw/zinc/32/89/15/762328915.db2.gz KJOVCENNXUHQLB-GBESFXJTSA-N 2 1 363.571 3.291 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccsc3)CC2)CC[NH+]1C ZINC000948388817 762328928 /nfs/dbraw/zinc/32/89/28/762328928.db2.gz KJOVCENNXUHQLB-GBESFXJTSA-N 2 1 363.571 3.291 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccsc3)CC2)CC[NH+]1C ZINC000948388817 762328937 /nfs/dbraw/zinc/32/89/37/762328937.db2.gz KJOVCENNXUHQLB-GBESFXJTSA-N 2 1 363.571 3.291 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccccc2Cl)CC1 ZINC000919860965 758482075 /nfs/dbraw/zinc/48/20/75/758482075.db2.gz LXIXMBHUHPYYCW-VOTSOKGWSA-N 2 1 356.857 3.139 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3c(Cl)n[nH]c3C3CC3)C2)nc(C)[nH+]1 ZINC000921699473 758772421 /nfs/dbraw/zinc/77/24/21/758772421.db2.gz IJNJHCFXLVKDQU-AWEZNQCLSA-N 2 1 360.893 3.106 20 0 FGADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@@H]1C(C)C ZINC000922392795 758912482 /nfs/dbraw/zinc/91/24/82/758912482.db2.gz OASSBASLNBMIRV-WWNBULGVSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@@H]1C(C)C ZINC000922392795 758912487 /nfs/dbraw/zinc/91/24/87/758912487.db2.gz OASSBASLNBMIRV-WWNBULGVSA-N 2 1 365.587 3.400 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923315746 759099461 /nfs/dbraw/zinc/09/94/61/759099461.db2.gz ZNFBKLSROSYPSL-XYTVBORESA-N 2 1 350.507 3.156 20 0 FGADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000923315746 759099471 /nfs/dbraw/zinc/09/94/71/759099471.db2.gz ZNFBKLSROSYPSL-XYTVBORESA-N 2 1 350.507 3.156 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372006 759107140 /nfs/dbraw/zinc/10/71/40/759107140.db2.gz DWICHGGKMVAQFR-GOEBONIOSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000923490981 759130823 /nfs/dbraw/zinc/13/08/23/759130823.db2.gz GOYHZODKGPNQBD-SECBINFHSA-N 2 1 350.677 3.256 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000923490981 759130828 /nfs/dbraw/zinc/13/08/28/759130828.db2.gz GOYHZODKGPNQBD-SECBINFHSA-N 2 1 350.677 3.256 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CCCC2)CC1 ZINC000925000283 759429899 /nfs/dbraw/zinc/42/98/99/759429899.db2.gz SUIZRCIBVWIODA-ICSRJNTNSA-N 2 1 350.547 3.205 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000925776954 759534272 /nfs/dbraw/zinc/53/42/72/759534272.db2.gz BKXWVILMUYUJJC-CMPLNLGQSA-N 2 1 363.246 3.353 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000926785264 759820863 /nfs/dbraw/zinc/82/08/63/759820863.db2.gz ATXUCPYWNMUXPN-FSUMODHMSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000926785264 759820873 /nfs/dbraw/zinc/82/08/73/759820873.db2.gz ATXUCPYWNMUXPN-FSUMODHMSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000926785263 759821075 /nfs/dbraw/zinc/82/10/75/759821075.db2.gz ATXUCPYWNMUXPN-FRKNIRMPSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000926785263 759821085 /nfs/dbraw/zinc/82/10/85/759821085.db2.gz ATXUCPYWNMUXPN-FRKNIRMPSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000927119287 759897735 /nfs/dbraw/zinc/89/77/35/759897735.db2.gz YZXOJVCUTVTFDK-AWEZNQCLSA-N 2 1 361.511 3.007 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000927124891 759899432 /nfs/dbraw/zinc/89/94/32/759899432.db2.gz RFGYISHGIVZNQC-RSJGLCBASA-N 2 1 351.535 3.142 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccsc2C(F)F)CC1 ZINC000930527181 760632962 /nfs/dbraw/zinc/63/29/62/760632962.db2.gz VVZWUZWWTLCIFH-UHFFFAOYSA-N 2 1 352.410 3.085 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309687 760825078 /nfs/dbraw/zinc/82/50/78/760825078.db2.gz SCKASTWVYFDGRM-LDTOTXGLSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1cc(C[NH+](C)C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000960640517 762736765 /nfs/dbraw/zinc/73/67/65/762736765.db2.gz HQMAHTSOUOLMRV-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC000960640517 762736767 /nfs/dbraw/zinc/73/67/67/762736767.db2.gz HQMAHTSOUOLMRV-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@H+](C)C[C@H]2CCCN2C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC000960640517 762736768 /nfs/dbraw/zinc/73/67/68/762736768.db2.gz HQMAHTSOUOLMRV-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cccc(Cl)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995825018 764970662 /nfs/dbraw/zinc/97/06/62/764970662.db2.gz MKJMDXTWRCNQBD-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)c(C)s1 ZINC000995835378 764971317 /nfs/dbraw/zinc/97/13/17/764971317.db2.gz WTUNRUJUBWBZLF-ZTFGCOKTSA-N 2 1 363.571 3.032 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)Cc3ccsc3)C2)CC[N@H+]1C ZINC001017132002 765831291 /nfs/dbraw/zinc/83/12/91/765831291.db2.gz HVBFYTIUOZAUSU-YTQUADARSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@H+](C)Cc3ccsc3)C2)CC[NH+]1C ZINC001017132002 765831299 /nfs/dbraw/zinc/83/12/99/765831299.db2.gz HVBFYTIUOZAUSU-YTQUADARSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[N@@H+](C)Cc3ccsc3)C2)CC[NH+]1C ZINC001017132002 765831306 /nfs/dbraw/zinc/83/13/06/765831306.db2.gz HVBFYTIUOZAUSU-YTQUADARSA-N 2 1 363.571 3.149 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001027418670 766092648 /nfs/dbraw/zinc/09/26/48/766092648.db2.gz GVICIMWCJCEWFQ-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001027418670 766092655 /nfs/dbraw/zinc/09/26/55/766092655.db2.gz GVICIMWCJCEWFQ-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001027418670 766092661 /nfs/dbraw/zinc/09/26/61/766092661.db2.gz GVICIMWCJCEWFQ-CEXWTWQISA-N 2 1 363.571 3.210 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001027416324 766093190 /nfs/dbraw/zinc/09/31/90/766093190.db2.gz FBXOMMZRWLUTEG-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001027416324 766093196 /nfs/dbraw/zinc/09/31/96/766093196.db2.gz FBXOMMZRWLUTEG-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001027416324 766093203 /nfs/dbraw/zinc/09/32/03/766093203.db2.gz FBXOMMZRWLUTEG-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001033096407 766205990 /nfs/dbraw/zinc/20/59/90/766205990.db2.gz LZCSBUVSANCKIB-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001033096407 766205993 /nfs/dbraw/zinc/20/59/93/766205993.db2.gz LZCSBUVSANCKIB-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001033096407 766205997 /nfs/dbraw/zinc/20/59/97/766205997.db2.gz LZCSBUVSANCKIB-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001033096407 766206001 /nfs/dbraw/zinc/20/60/01/766206001.db2.gz LZCSBUVSANCKIB-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC001033836836 766223512 /nfs/dbraw/zinc/22/35/12/766223512.db2.gz FFCOIUXMRPJGST-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001033836836 766223516 /nfs/dbraw/zinc/22/35/16/766223516.db2.gz FFCOIUXMRPJGST-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001033836836 766223519 /nfs/dbraw/zinc/22/35/19/766223519.db2.gz FFCOIUXMRPJGST-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001034216689 766232700 /nfs/dbraw/zinc/23/27/00/766232700.db2.gz JJOCSNLYBGNLCX-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001034216689 766232701 /nfs/dbraw/zinc/23/27/01/766232701.db2.gz JJOCSNLYBGNLCX-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001034216689 766232702 /nfs/dbraw/zinc/23/27/02/766232702.db2.gz JJOCSNLYBGNLCX-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001034215212 766232725 /nfs/dbraw/zinc/23/27/25/766232725.db2.gz XIFLDHQHNKTGOD-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001034215212 766232727 /nfs/dbraw/zinc/23/27/27/766232727.db2.gz XIFLDHQHNKTGOD-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001034215212 766232729 /nfs/dbraw/zinc/23/27/29/766232729.db2.gz XIFLDHQHNKTGOD-BPQIPLTHSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC=C(Cl)Cl)CC2)CC[N@@H+]1C ZINC001052395076 766900422 /nfs/dbraw/zinc/90/04/22/766900422.db2.gz KFGWDJTWSHTTMN-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CC=C(Cl)Cl)CC2)CC[N@H+]1C ZINC001052395076 766900423 /nfs/dbraw/zinc/90/04/23/766900423.db2.gz KFGWDJTWSHTTMN-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](CC=C(Cl)Cl)CC2)CC[NH+]1C ZINC001052395076 766900428 /nfs/dbraw/zinc/90/04/28/766900428.db2.gz KFGWDJTWSHTTMN-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](CC=C(Cl)Cl)CC2)CC[NH+]1C ZINC001052395076 766900430 /nfs/dbraw/zinc/90/04/30/766900430.db2.gz KFGWDJTWSHTTMN-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000052209976 205185038 /nfs/dbraw/zinc/18/50/38/205185038.db2.gz GNXQKRDYILXFGX-UHFFFAOYSA-N 2 1 357.542 3.410 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000044277299 257340513 /nfs/dbraw/zinc/34/05/13/257340513.db2.gz BWNSJYOWEPVPCP-UHFFFAOYSA-N 2 1 366.509 3.488 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848630 503740016 /nfs/dbraw/zinc/74/00/16/503740016.db2.gz ZEEPHVXBNWQLDN-ADAWSYLGSA-N 2 1 358.448 3.175 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000567966476 505584485 /nfs/dbraw/zinc/58/44/85/505584485.db2.gz KOZNQDMFECELFH-LJQANCHMSA-N 2 1 357.542 3.079 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)cc1 ZINC000567980512 505589183 /nfs/dbraw/zinc/58/91/83/505589183.db2.gz CKUVCUHCFHQCCN-NQIIRXRSSA-N 2 1 357.542 3.498 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000573666627 505591776 /nfs/dbraw/zinc/59/17/76/505591776.db2.gz PPUBCLBCZRBNBH-RTBURBONSA-N 2 1 354.498 3.130 20 0 FGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[S@](C)=O ZINC000568076887 505610367 /nfs/dbraw/zinc/61/03/67/505610367.db2.gz DGXGQLRDOBUUNE-VGKUOYCKSA-N 2 1 362.583 3.424 20 0 FGADMP CCCn1c2ccccc2nc1CN(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000576865147 505612675 /nfs/dbraw/zinc/61/26/75/505612675.db2.gz YXKYXGBOCKDWDM-IBGZPJMESA-N 2 1 371.573 3.294 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836226 505629661 /nfs/dbraw/zinc/62/96/61/505629661.db2.gz FUGLWPBKPYPYCM-YADHBBJMSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836226 505629664 /nfs/dbraw/zinc/62/96/64/505629664.db2.gz FUGLWPBKPYPYCM-YADHBBJMSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836226 505629667 /nfs/dbraw/zinc/62/96/67/505629667.db2.gz FUGLWPBKPYPYCM-YADHBBJMSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836226 505629671 /nfs/dbraw/zinc/62/96/71/505629671.db2.gz FUGLWPBKPYPYCM-YADHBBJMSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836226 505629673 /nfs/dbraw/zinc/62/96/73/505629673.db2.gz FUGLWPBKPYPYCM-YADHBBJMSA-N 3 1 371.569 3.010 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000571057524 505643647 /nfs/dbraw/zinc/64/36/47/505643647.db2.gz WSFIMMHIEUKWNJ-IBGZPJMESA-N 2 1 374.529 3.077 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000573917774 505651204 /nfs/dbraw/zinc/65/12/04/505651204.db2.gz FWSKWVAMQFPDNU-AVRDEDQJSA-N 2 1 370.541 3.095 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000571101865 505654118 /nfs/dbraw/zinc/65/41/18/505654118.db2.gz OSPPOOLRUIZIAK-XLIONFOSSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000571101865 505654121 /nfs/dbraw/zinc/65/41/21/505654121.db2.gz OSPPOOLRUIZIAK-XLIONFOSSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000571101865 505654124 /nfs/dbraw/zinc/65/41/24/505654124.db2.gz OSPPOOLRUIZIAK-XLIONFOSSA-N 2 1 357.498 3.024 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCOC1 ZINC000568302479 505661936 /nfs/dbraw/zinc/66/19/36/505661936.db2.gz CGMOETLUKVLWEA-ILWGZMRPSA-N 2 1 372.553 3.320 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332344 493867694 /nfs/dbraw/zinc/86/76/94/493867694.db2.gz JRJZXLMJZSEFDG-OAHLLOKOSA-N 2 1 370.900 3.359 20 0 FGADMP COc1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1SC ZINC000068820413 493878741 /nfs/dbraw/zinc/87/87/41/493878741.db2.gz MJNAMCKTCUPITJ-UHFFFAOYSA-N 2 1 364.555 3.492 20 0 FGADMP COc1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1SC ZINC000068820413 493878746 /nfs/dbraw/zinc/87/87/46/493878746.db2.gz MJNAMCKTCUPITJ-UHFFFAOYSA-N 2 1 364.555 3.492 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058827074 493888035 /nfs/dbraw/zinc/88/80/35/493888035.db2.gz AASXRRAPTKHHCX-HXUWFJFHSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572895 493920861 /nfs/dbraw/zinc/92/08/61/493920861.db2.gz ABZAXLHVKBCWEN-WIYYLYMNSA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572895 493920865 /nfs/dbraw/zinc/92/08/65/493920865.db2.gz ABZAXLHVKBCWEN-WIYYLYMNSA-N 2 1 357.542 3.234 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081572895 493920869 /nfs/dbraw/zinc/92/08/69/493920869.db2.gz ABZAXLHVKBCWEN-WIYYLYMNSA-N 2 1 357.542 3.234 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000061795461 493995152 /nfs/dbraw/zinc/99/51/52/493995152.db2.gz GJWKTQUFBXETOU-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OCc1cccnc1 ZINC000069754421 494007715 /nfs/dbraw/zinc/00/77/15/494007715.db2.gz ZRNWFGNQEYUGPA-UHFFFAOYSA-N 2 1 366.465 3.354 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000062355585 494010147 /nfs/dbraw/zinc/01/01/47/494010147.db2.gz SHSPIZMVDBPQHD-SFTDATJTSA-N 2 1 351.494 3.243 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCc1ccncc1 ZINC000062426951 494011790 /nfs/dbraw/zinc/01/17/90/494011790.db2.gz UYVBLISOEBCENA-FQEVSTJZSA-N 2 1 369.509 3.489 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000077274497 494046019 /nfs/dbraw/zinc/04/60/19/494046019.db2.gz HBQRMKIIFGHOEU-WOJBJXKFSA-N 2 1 351.579 3.216 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000571277729 505696449 /nfs/dbraw/zinc/69/64/49/505696449.db2.gz RYGMWZFEPREXJC-HNNXBMFYSA-N 2 1 372.296 3.308 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(-c3ccccn3)s2)C[C@H](C)O1 ZINC000084656584 494091002 /nfs/dbraw/zinc/09/10/02/494091002.db2.gz FHMQUKZAUCFKCY-IYBDPMFKSA-N 2 1 360.527 3.184 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000086361690 494149230 /nfs/dbraw/zinc/14/92/30/494149230.db2.gz ZUTGZOZIDWDYSV-HNNXBMFYSA-N 2 1 367.497 3.168 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccccc2OCC[NH+](C)C)c1 ZINC000065881145 494251682 /nfs/dbraw/zinc/25/16/82/494251682.db2.gz ARNIXEFYPLJHJK-UHFFFAOYSA-N 2 1 369.509 3.009 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)CC[NH+](C)C)c2)cc1 ZINC000065981529 494264828 /nfs/dbraw/zinc/26/48/28/494264828.db2.gz GJFGYLXIFWAKSI-MRXNPFEDSA-N 2 1 355.482 3.377 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000066042661 494272458 /nfs/dbraw/zinc/27/24/58/494272458.db2.gz YOZSGLLSTOINFU-OAQYLSRUSA-N 2 1 351.494 3.202 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000073079562 494319073 /nfs/dbraw/zinc/31/90/73/494319073.db2.gz JEODWYGZXSOBEB-UHFFFAOYSA-N 2 1 372.557 3.185 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+]CC1([NH+]3CCCCC3)CCOCC1)CC2 ZINC000089594957 494328725 /nfs/dbraw/zinc/32/87/25/494328725.db2.gz YYZHMVKAEGTVJP-HXUWFJFHSA-N 2 1 358.526 3.177 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCC1 ZINC000073594695 494396261 /nfs/dbraw/zinc/39/62/61/494396261.db2.gz JASZDDXIUKDNRP-RAFMOHDBSA-N 2 1 364.578 3.202 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000045192667 494405190 /nfs/dbraw/zinc/40/51/90/494405190.db2.gz OTVJTWCQOHJKGN-LEWJYISDSA-N 2 1 370.541 3.099 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000073676890 494411578 /nfs/dbraw/zinc/41/15/78/494411578.db2.gz ZHLNWZSVOMCGPL-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073676890 494411582 /nfs/dbraw/zinc/41/15/82/494411582.db2.gz ZHLNWZSVOMCGPL-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000073676890 494411585 /nfs/dbraw/zinc/41/15/85/494411585.db2.gz ZHLNWZSVOMCGPL-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@@H+](Cc1cnc2nc(C)cc(C)n12)Cc1ccc(C[NH+](C)C)cc1 ZINC000568564518 505722947 /nfs/dbraw/zinc/72/29/47/505722947.db2.gz AFAYEZRUNPNKCH-UHFFFAOYSA-N 2 1 351.498 3.430 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003575 494426035 /nfs/dbraw/zinc/42/60/35/494426035.db2.gz ZKHNFOAACFQJSB-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003575 494426037 /nfs/dbraw/zinc/42/60/37/494426037.db2.gz ZKHNFOAACFQJSB-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004336 494426734 /nfs/dbraw/zinc/42/67/34/494426734.db2.gz WKVDBMAGPKFOPU-VQIMIIECSA-N 2 1 370.497 3.101 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090004336 494426737 /nfs/dbraw/zinc/42/67/37/494426737.db2.gz WKVDBMAGPKFOPU-VQIMIIECSA-N 2 1 370.497 3.101 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000073843748 494437765 /nfs/dbraw/zinc/43/77/65/494437765.db2.gz VMRJSASUEWWBHI-UHFFFAOYSA-N 2 1 369.303 3.184 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000073895172 494443859 /nfs/dbraw/zinc/44/38/59/494443859.db2.gz RJRLOZCLNXLONF-HXUWFJFHSA-N 2 1 356.510 3.384 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000073895172 494443866 /nfs/dbraw/zinc/44/38/66/494443866.db2.gz RJRLOZCLNXLONF-HXUWFJFHSA-N 2 1 356.510 3.384 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC000073917966 494448465 /nfs/dbraw/zinc/44/84/65/494448465.db2.gz REOFJWCWFBHJPQ-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000073917966 494448471 /nfs/dbraw/zinc/44/84/71/494448471.db2.gz REOFJWCWFBHJPQ-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000073917966 494448473 /nfs/dbraw/zinc/44/84/73/494448473.db2.gz REOFJWCWFBHJPQ-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@H](C)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570688 505724823 /nfs/dbraw/zinc/72/48/23/505724823.db2.gz GIMLMSWSMBEQLD-OPYAIIAOSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@H](C)C1 ZINC000046368013 494521909 /nfs/dbraw/zinc/52/19/09/494521909.db2.gz OTTAHUWOYGKWJP-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000046368013 494521915 /nfs/dbraw/zinc/52/19/15/494521915.db2.gz OTTAHUWOYGKWJP-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000046368013 494521918 /nfs/dbraw/zinc/52/19/18/494521918.db2.gz OTTAHUWOYGKWJP-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000580303472 505728068 /nfs/dbraw/zinc/72/80/68/505728068.db2.gz BFNJKAOVUVCYDE-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3nc4ccccc4n3C)CC2)nc(C)[nH+]1 ZINC000091368030 494588417 /nfs/dbraw/zinc/58/84/17/494588417.db2.gz RHEDDQLCUZJXFD-OAHLLOKOSA-N 2 1 364.497 3.300 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000121125202 494607562 /nfs/dbraw/zinc/60/75/62/494607562.db2.gz PHGKVFAKOFSCES-FQEVSTJZSA-N 2 1 370.541 3.195 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000121125202 494607567 /nfs/dbraw/zinc/60/75/67/494607567.db2.gz PHGKVFAKOFSCES-FQEVSTJZSA-N 2 1 370.541 3.195 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000067684953 494610503 /nfs/dbraw/zinc/61/05/03/494610503.db2.gz GBHHPLHXKGTZHN-SFHVURJKSA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000067684953 494610511 /nfs/dbraw/zinc/61/05/11/494610511.db2.gz GBHHPLHXKGTZHN-SFHVURJKSA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000067684953 494610523 /nfs/dbraw/zinc/61/05/23/494610523.db2.gz GBHHPLHXKGTZHN-SFHVURJKSA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080166881 494622625 /nfs/dbraw/zinc/62/26/25/494622625.db2.gz HNGNQYSISDRFTB-NQIIRXRSSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074852318 494623721 /nfs/dbraw/zinc/62/37/21/494623721.db2.gz OXMLRBHRQNJZOQ-UYAOXDASSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074852318 494623731 /nfs/dbraw/zinc/62/37/31/494623731.db2.gz OXMLRBHRQNJZOQ-UYAOXDASSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074852318 494623738 /nfs/dbraw/zinc/62/37/38/494623738.db2.gz OXMLRBHRQNJZOQ-UYAOXDASSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cnc4c(C)cccn34)CC2)nc(C)[nH+]1 ZINC000092645021 494694809 /nfs/dbraw/zinc/69/48/09/494694809.db2.gz BTKCSGRCIFHTGZ-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cnc4c(C)cccn34)CC2)nc(C)[nH+]1 ZINC000092645021 494694818 /nfs/dbraw/zinc/69/48/18/494694818.db2.gz BTKCSGRCIFHTGZ-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@H]21 ZINC000580340627 505736780 /nfs/dbraw/zinc/73/67/80/505736780.db2.gz VLJPTCBURZVZDZ-IXDOHACOSA-N 2 1 360.889 3.395 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000075329087 494732254 /nfs/dbraw/zinc/73/22/54/494732254.db2.gz CYGPJOUVRYKYMB-INIZCTEOSA-N 2 1 357.498 3.298 20 0 FGADMP CN(C)C(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000093006770 494806243 /nfs/dbraw/zinc/80/62/43/494806243.db2.gz OUGGSUOHYOSSMO-UHFFFAOYSA-N 2 1 368.525 3.061 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000571483589 505743198 /nfs/dbraw/zinc/74/31/98/505743198.db2.gz GDRXZKWUFRQYSY-UHFFFAOYSA-N 3 1 369.557 3.246 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCCn2cc[nH+]c2C)CC1 ZINC000571483589 505743203 /nfs/dbraw/zinc/74/32/03/505743203.db2.gz GDRXZKWUFRQYSY-UHFFFAOYSA-N 3 1 369.557 3.246 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)cc1F ZINC000126730644 494827875 /nfs/dbraw/zinc/82/78/75/494827875.db2.gz JOZDFVSLIFGVDZ-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(OC)ccc4ccccc43)C2)CC1 ZINC000093132726 494830492 /nfs/dbraw/zinc/83/04/92/494830492.db2.gz XKLLWFCMXHFPPM-LJQANCHMSA-N 2 1 353.510 3.060 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384478 505746251 /nfs/dbraw/zinc/74/62/51/505746251.db2.gz XENLKMVJRVCCKS-AZUAARDMSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384478 505746255 /nfs/dbraw/zinc/74/62/55/505746255.db2.gz XENLKMVJRVCCKS-AZUAARDMSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384478 505746256 /nfs/dbraw/zinc/74/62/56/505746256.db2.gz XENLKMVJRVCCKS-AZUAARDMSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384478 505746260 /nfs/dbraw/zinc/74/62/60/505746260.db2.gz XENLKMVJRVCCKS-AZUAARDMSA-N 2 1 350.462 3.369 20 0 FGADMP Cc1ccc(OCCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000109754817 494914179 /nfs/dbraw/zinc/91/41/79/494914179.db2.gz AZBHDBAQEMIBLD-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1ccc(OCCC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000109754817 494914181 /nfs/dbraw/zinc/91/41/81/494914181.db2.gz AZBHDBAQEMIBLD-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000122131668 494929353 /nfs/dbraw/zinc/92/93/53/494929353.db2.gz QUESMYGXIZZPRE-ZWKOTPCHSA-N 2 1 352.544 3.093 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000122168692 494934900 /nfs/dbraw/zinc/93/49/00/494934900.db2.gz YEKGLMPPXVWXRD-MRXNPFEDSA-N 2 1 366.550 3.499 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C(C)(C)C)no2)CC1 ZINC000122168692 494934905 /nfs/dbraw/zinc/93/49/05/494934905.db2.gz YEKGLMPPXVWXRD-MRXNPFEDSA-N 2 1 366.550 3.499 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccccc1N(C)C ZINC000093941544 494937658 /nfs/dbraw/zinc/93/76/58/494937658.db2.gz LXQKXBUJQZLZDX-SFHVURJKSA-N 2 1 353.510 3.436 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122278667 494950648 /nfs/dbraw/zinc/95/06/48/494950648.db2.gz BSFWCJYVBUQLGW-OAQYLSRUSA-N 2 1 357.542 3.006 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000574366097 505755883 /nfs/dbraw/zinc/75/58/83/505755883.db2.gz MUJZKOAGZUBTLP-UDJZJCJKSA-N 2 1 372.459 3.437 20 0 FGADMP O[C@]1(C[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000574366097 505755887 /nfs/dbraw/zinc/75/58/87/505755887.db2.gz MUJZKOAGZUBTLP-UDJZJCJKSA-N 2 1 372.459 3.437 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102805 495023195 /nfs/dbraw/zinc/02/31/95/495023195.db2.gz BXELFMDGJJUYMT-PXNSSMCTSA-N 2 1 361.493 3.163 20 0 FGADMP Cc1cc2cc([C@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)oc2cc1C ZINC000127992695 495028517 /nfs/dbraw/zinc/02/85/17/495028517.db2.gz MDNKJWJBBXHELJ-IRXDYDNUSA-N 2 1 357.498 3.288 20 0 FGADMP Cc1cc2cc([C@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)oc2cc1C ZINC000127992695 495028518 /nfs/dbraw/zinc/02/85/18/495028518.db2.gz MDNKJWJBBXHELJ-IRXDYDNUSA-N 2 1 357.498 3.288 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000111043038 495033060 /nfs/dbraw/zinc/03/30/60/495033060.db2.gz TVZMKQZAKJONFC-NRFANRHFSA-N 2 1 353.510 3.318 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144381 495061877 /nfs/dbraw/zinc/06/18/77/495061877.db2.gz FEOKPVRXIBNEMH-GDBMZVCRSA-N 2 1 360.420 3.329 20 0 FGADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128298787 495075353 /nfs/dbraw/zinc/07/53/53/495075353.db2.gz FQCXCFZMHUEZTM-LJQANCHMSA-N 2 1 374.573 3.144 20 0 FGADMP O=C1Nc2ccccc2[C@H]1CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000133991506 495090790 /nfs/dbraw/zinc/09/07/90/495090790.db2.gz HXSDGOGKFLXZAL-OAQYLSRUSA-N 2 1 363.505 3.409 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000123309693 495112836 /nfs/dbraw/zinc/11/28/36/495112836.db2.gz BMLOIQIOUKHOIC-INIZCTEOSA-N 2 1 369.513 3.414 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123336975 495117073 /nfs/dbraw/zinc/11/70/73/495117073.db2.gz QNCMHLFPHMLQQH-QGZVFWFLSA-N 2 1 361.530 3.466 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000577605840 505763098 /nfs/dbraw/zinc/76/30/98/505763098.db2.gz XEPJFWLRGRINST-UZLBHIALSA-N 2 1 358.530 3.303 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)[N@H+](C)C1CC1 ZINC000119529419 495183429 /nfs/dbraw/zinc/18/34/29/495183429.db2.gz LQUVSDMJUJFQJH-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1)[N@@H+](C)C1CC1 ZINC000119529419 495183435 /nfs/dbraw/zinc/18/34/35/495183435.db2.gz LQUVSDMJUJFQJH-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570402 495193411 /nfs/dbraw/zinc/19/34/11/495193411.db2.gz QOMPEDAKZGBBMK-AZUAARDMSA-N 2 1 374.573 3.126 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCCCC2)C1 ZINC000112749882 495236489 /nfs/dbraw/zinc/23/64/89/495236489.db2.gz NZTPKQUPUMEMMB-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP CC(=O)NC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000135270683 495270904 /nfs/dbraw/zinc/27/09/04/495270904.db2.gz NWZLFZWNMIUQSH-KWVXMBPFSA-N 2 1 355.526 3.219 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cc2)C[C@H](C)O1 ZINC000124651113 495322630 /nfs/dbraw/zinc/32/26/30/495322630.db2.gz DSKQDIPEWVHARV-LLGFUMIMSA-N 2 1 368.525 3.197 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000113901155 495334484 /nfs/dbraw/zinc/33/44/84/495334484.db2.gz CDCAJZCPKRASND-ICSRJNTNSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105113069 495337700 /nfs/dbraw/zinc/33/77/00/495337700.db2.gz HPDCILBTUXGVRD-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105113025 495337950 /nfs/dbraw/zinc/33/79/50/495337950.db2.gz PMAZADAAZTXECK-GOSISDBHSA-N 2 1 370.541 3.051 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C3CC3)CC2)cc1 ZINC000105113025 495337952 /nfs/dbraw/zinc/33/79/52/495337952.db2.gz PMAZADAAZTXECK-GOSISDBHSA-N 2 1 370.541 3.051 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000105112994 495338051 /nfs/dbraw/zinc/33/80/51/495338051.db2.gz GGBCIHWWDWRIFK-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccc(F)cc1 ZINC000124830371 495350822 /nfs/dbraw/zinc/35/08/22/495350822.db2.gz YULNEVOQAOPXGN-OAQYLSRUSA-N 2 1 360.448 3.295 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000105442988 495364918 /nfs/dbraw/zinc/36/49/18/495364918.db2.gz SMPULLDYSGDLIJ-SFHVURJKSA-N 3 1 356.514 3.092 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130364114 495380789 /nfs/dbraw/zinc/38/07/89/495380789.db2.gz RFGCSPFCUUCGMI-DLBZAZTESA-N 2 1 356.514 3.342 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130364114 495380793 /nfs/dbraw/zinc/38/07/93/495380793.db2.gz RFGCSPFCUUCGMI-DLBZAZTESA-N 2 1 356.514 3.342 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000130420613 495389658 /nfs/dbraw/zinc/38/96/58/495389658.db2.gz STRMQGKJALOICH-OAHLLOKOSA-N 2 1 351.454 3.089 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc2ncccc21 ZINC000130420613 495389662 /nfs/dbraw/zinc/38/96/62/495389662.db2.gz STRMQGKJALOICH-OAHLLOKOSA-N 2 1 351.454 3.089 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136860279 495406148 /nfs/dbraw/zinc/40/61/48/495406148.db2.gz KDNIHESSEFAQLM-LJQANCHMSA-N 2 1 364.578 3.301 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130935640 495468561 /nfs/dbraw/zinc/46/85/61/495468561.db2.gz ZYUISGJMIMBZCY-UHFFFAOYSA-N 2 1 364.877 3.123 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130935640 495468566 /nfs/dbraw/zinc/46/85/66/495468566.db2.gz ZYUISGJMIMBZCY-UHFFFAOYSA-N 2 1 364.877 3.123 20 0 FGADMP O=C(NCCc1cn2ccccc2n1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000120916051 495484779 /nfs/dbraw/zinc/48/47/79/495484779.db2.gz PPJFREAOETUQSG-FQEVSTJZSA-N 2 1 362.477 3.048 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)c1 ZINC000140557582 495497717 /nfs/dbraw/zinc/49/77/17/495497717.db2.gz XKLSQLMGVYXMBO-ROUUACIJSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000140557582 495497719 /nfs/dbraw/zinc/49/77/19/495497719.db2.gz XKLSQLMGVYXMBO-ROUUACIJSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000140557582 495497723 /nfs/dbraw/zinc/49/77/23/495497723.db2.gz XKLSQLMGVYXMBO-ROUUACIJSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000107371930 495526370 /nfs/dbraw/zinc/52/63/70/495526370.db2.gz XKBQGJPDURLDCA-RDJZCZTQSA-N 2 1 371.447 3.358 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176205013 495546075 /nfs/dbraw/zinc/54/60/75/495546075.db2.gz VIQPLFOBVQJNER-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176205013 495546081 /nfs/dbraw/zinc/54/60/81/495546081.db2.gz VIQPLFOBVQJNER-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000173593217 495603349 /nfs/dbraw/zinc/60/33/49/495603349.db2.gz TVFYFRUVGXZFES-GOSISDBHSA-N 2 1 353.510 3.389 20 0 FGADMP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182547230 495608275 /nfs/dbraw/zinc/60/82/75/495608275.db2.gz ZGTKOUDRMYGSKJ-DLBZAZTESA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000158935795 495619164 /nfs/dbraw/zinc/61/91/64/495619164.db2.gz SSHQFLSPUNBRAN-KRWDZBQOSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000158935795 495619167 /nfs/dbraw/zinc/61/91/67/495619167.db2.gz SSHQFLSPUNBRAN-KRWDZBQOSA-N 2 1 363.571 3.341 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000154529654 495644499 /nfs/dbraw/zinc/64/44/99/495644499.db2.gz YKPLULZTLMYZDE-INIZCTEOSA-N 2 1 355.473 3.356 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176495434 495672637 /nfs/dbraw/zinc/67/26/37/495672637.db2.gz PLKFNYZPNXOUDB-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000154629467 495676871 /nfs/dbraw/zinc/67/68/71/495676871.db2.gz MPAHTIYHRDNKKW-FXAWDEMLSA-N 2 1 370.541 3.097 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC(=O)N(Cc2ccccc2C(F)(F)F)C1 ZINC000568869573 505796855 /nfs/dbraw/zinc/79/68/55/505796855.db2.gz UITIKFALLACQSP-UAGQMJEPSA-N 2 1 369.431 3.056 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000176516228 495679335 /nfs/dbraw/zinc/67/93/35/495679335.db2.gz XMSUVANVZSMETP-SXLOBPIMSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713666 495693336 /nfs/dbraw/zinc/69/33/36/495693336.db2.gz WVHBGUXCIUQYSR-QLFBSQMISA-N 2 1 364.921 3.305 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccnc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713666 495693337 /nfs/dbraw/zinc/69/33/37/495693337.db2.gz WVHBGUXCIUQYSR-QLFBSQMISA-N 2 1 364.921 3.305 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763092 495716692 /nfs/dbraw/zinc/71/66/92/495716692.db2.gz VUNNOWNNYDJCKI-SQGPQFPESA-N 2 1 357.498 3.254 20 0 FGADMP Cc1cc([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)sc1Br ZINC000577834795 505800677 /nfs/dbraw/zinc/80/06/77/505800677.db2.gz YRGYBUYCODRHAU-AWEZNQCLSA-N 2 1 374.392 3.497 20 0 FGADMP Cc1cnccc1NC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179817439 495747084 /nfs/dbraw/zinc/74/70/84/495747084.db2.gz GGMUEBUKNAYWCM-UXHICEINSA-N 2 1 373.545 3.191 20 0 FGADMP CC(C)N(C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000173961168 495765023 /nfs/dbraw/zinc/76/50/23/495765023.db2.gz HWGXXJINYYSBNT-UHFFFAOYSA-N 2 1 373.541 3.005 20 0 FGADMP CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962189 495775916 /nfs/dbraw/zinc/77/59/16/495775916.db2.gz VBBPVPWFSVSGAE-RTBURBONSA-N 2 1 374.573 3.096 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000176917359 495840391 /nfs/dbraw/zinc/84/03/91/495840391.db2.gz BVTGVTJXXJRPEP-GIVPXCGWSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000176917359 495840399 /nfs/dbraw/zinc/84/03/99/495840399.db2.gz BVTGVTJXXJRPEP-GIVPXCGWSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000176917359 495840404 /nfs/dbraw/zinc/84/04/04/495840404.db2.gz BVTGVTJXXJRPEP-GIVPXCGWSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000176917359 495840411 /nfs/dbraw/zinc/84/04/11/495840411.db2.gz BVTGVTJXXJRPEP-GIVPXCGWSA-N 2 1 372.509 3.142 20 0 FGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183134574 495849710 /nfs/dbraw/zinc/84/97/10/495849710.db2.gz QXGPTDTUSTVUDG-ILWGZMRPSA-N 2 1 352.526 3.427 20 0 FGADMP CCOc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171388167 495850662 /nfs/dbraw/zinc/85/06/62/495850662.db2.gz QHPBVKRMJFDNNI-QGZVFWFLSA-N 2 1 359.514 3.220 20 0 FGADMP COc1cccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183146753 495853887 /nfs/dbraw/zinc/85/38/87/495853887.db2.gz VJPVIVIARSDJJJ-HNNXBMFYSA-N 2 1 364.449 3.479 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000180112602 495862603 /nfs/dbraw/zinc/86/26/03/495862603.db2.gz RLFAQAZIBYGAQC-XSLAUPDRSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000180112602 495862605 /nfs/dbraw/zinc/86/26/05/495862605.db2.gz RLFAQAZIBYGAQC-XSLAUPDRSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@@H+]1C ZINC000177061091 495907939 /nfs/dbraw/zinc/90/79/39/495907939.db2.gz OCNBSNUCPRQKIR-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)CC[N@H+]1C ZINC000177061091 495907946 /nfs/dbraw/zinc/90/79/46/495907946.db2.gz OCNBSNUCPRQKIR-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061091 495907951 /nfs/dbraw/zinc/90/79/51/495907951.db2.gz OCNBSNUCPRQKIR-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC[NH+]1C ZINC000177061091 495907959 /nfs/dbraw/zinc/90/79/59/495907959.db2.gz OCNBSNUCPRQKIR-XJKSGUPXSA-N 2 1 368.319 3.192 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3ccc(Cl)cc3)C2)CC1 ZINC000171529856 495915891 /nfs/dbraw/zinc/91/58/91/495915891.db2.gz LUIJQBUJQINCNB-QGZVFWFLSA-N 2 1 353.963 3.144 20 0 FGADMP CNC(=O)c1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174402777 495942926 /nfs/dbraw/zinc/94/29/26/495942926.db2.gz BGIZUFMVBYJIIE-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174402777 495942931 /nfs/dbraw/zinc/94/29/31/495942931.db2.gz BGIZUFMVBYJIIE-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174402777 495942934 /nfs/dbraw/zinc/94/29/34/495942934.db2.gz BGIZUFMVBYJIIE-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174402777 495942940 /nfs/dbraw/zinc/94/29/40/495942940.db2.gz BGIZUFMVBYJIIE-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000171598389 495943266 /nfs/dbraw/zinc/94/32/66/495943266.db2.gz YIDMRTXHPDSMJR-IBGZPJMESA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000174417024 495949137 /nfs/dbraw/zinc/94/91/37/495949137.db2.gz PWJVQOOPFSHUJD-GOSISDBHSA-N 2 1 356.514 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174417024 495949143 /nfs/dbraw/zinc/94/91/43/495949143.db2.gz PWJVQOOPFSHUJD-GOSISDBHSA-N 2 1 356.514 3.423 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000155571074 495998195 /nfs/dbraw/zinc/99/81/95/495998195.db2.gz GNWHUYIWPOZMJY-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000568966420 505820299 /nfs/dbraw/zinc/82/02/99/505820299.db2.gz MMSCJSBLNAOZAW-OAQYLSRUSA-N 2 1 372.557 3.470 20 0 FGADMP C[N@@H+](CCCSc1ccccc1Cl)CCCN1CC[NH+](C)CC1 ZINC000174722569 496076736 /nfs/dbraw/zinc/07/67/36/496076736.db2.gz UKEVFCLQJDZUBB-UHFFFAOYSA-N 2 1 355.979 3.392 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000183699467 496085172 /nfs/dbraw/zinc/08/51/72/496085172.db2.gz WYPHYENHZXQGSD-INIZCTEOSA-N 2 1 360.498 3.296 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000174785887 496106376 /nfs/dbraw/zinc/10/63/76/496106376.db2.gz DGGYSLLEFGHFNX-SEJPIABJSA-N 2 1 372.557 3.343 20 0 FGADMP c1nc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)sc1-c1ccccc1 ZINC000156194785 496183793 /nfs/dbraw/zinc/18/37/93/496183793.db2.gz ZQQSIGWDLLMCJK-UHFFFAOYSA-N 2 1 357.523 3.354 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)NCC[C@H]1CCC[NH2+]C1 ZINC000152691889 496229199 /nfs/dbraw/zinc/22/91/99/496229199.db2.gz SECGBCRSSXWBGR-HXUWFJFHSA-N 2 1 365.521 3.195 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000175084112 496241296 /nfs/dbraw/zinc/24/12/96/496241296.db2.gz QAYGFGWVEPIHDA-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000175084112 496241301 /nfs/dbraw/zinc/24/13/01/496241301.db2.gz QAYGFGWVEPIHDA-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP COc1cc(N[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000161938460 496266838 /nfs/dbraw/zinc/26/68/38/496266838.db2.gz VTCIBNKVXGWOPI-GOSISDBHSA-N 2 1 361.530 3.456 20 0 FGADMP COc1cc(N[C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000161938460 496266842 /nfs/dbraw/zinc/26/68/42/496266842.db2.gz VTCIBNKVXGWOPI-GOSISDBHSA-N 2 1 361.530 3.456 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000580776102 505836030 /nfs/dbraw/zinc/83/60/30/505836030.db2.gz MKWVOTCOIFPWKY-AVRDEDQJSA-N 2 1 357.542 3.364 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000162354708 496342374 /nfs/dbraw/zinc/34/23/74/496342374.db2.gz XHMAFXNMZATALJ-XEVCZEQESA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)C1CCCCC1 ZINC000569053764 505839817 /nfs/dbraw/zinc/83/98/17/505839817.db2.gz HDPLNLAPRYQNFV-FQEVSTJZSA-N 2 1 364.578 3.157 20 0 FGADMP c1cn(Cc2ccccc2)nc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000578004917 505839367 /nfs/dbraw/zinc/83/93/67/505839367.db2.gz MTRWXNZPTHYKQL-GMAHTHKFSA-N 2 1 374.488 3.277 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+]CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000178225842 496376909 /nfs/dbraw/zinc/37/69/09/496376909.db2.gz WPVVDVIXOSWEOH-UHFFFAOYSA-N 2 1 371.569 3.320 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000157210545 496429500 /nfs/dbraw/zinc/42/95/00/496429500.db2.gz ZRNBHDASSBRXBS-OAQYLSRUSA-N 2 1 372.557 3.060 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000175533756 496430589 /nfs/dbraw/zinc/43/05/89/496430589.db2.gz NDDIUTDEMQMZJK-ROUUACIJSA-N 2 1 363.550 3.029 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000163214799 496482135 /nfs/dbraw/zinc/48/21/35/496482135.db2.gz IYWOJRSXHVGZOV-DOTOQJQBSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000181644034 496483449 /nfs/dbraw/zinc/48/34/49/496483449.db2.gz FSZPLQTXARXGGT-HKUYNNGSSA-N 3 1 362.537 3.103 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000181644034 496483454 /nfs/dbraw/zinc/48/34/54/496483454.db2.gz FSZPLQTXARXGGT-HKUYNNGSSA-N 3 1 362.537 3.103 20 0 FGADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157514717 496492566 /nfs/dbraw/zinc/49/25/66/496492566.db2.gz ADTQXCXNPAGMEC-SFHVURJKSA-N 2 1 369.509 3.013 20 0 FGADMP CC(C)n1cncc1CNc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000580828134 505847936 /nfs/dbraw/zinc/84/79/36/505847936.db2.gz DSKODANYLRGOSO-LJQANCHMSA-N 2 1 369.513 3.242 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C(C3CCC3)C3CCC3)c2)C1 ZINC000571932126 505848460 /nfs/dbraw/zinc/84/84/60/505848460.db2.gz ZYBYJXMMXHUHIK-NRFANRHFSA-N 2 1 369.553 3.442 20 0 FGADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000163426843 496514550 /nfs/dbraw/zinc/51/45/50/496514550.db2.gz MVJCHWFMZUBXEL-UONOGXRCSA-N 2 1 356.894 3.119 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000153624073 496521208 /nfs/dbraw/zinc/52/12/08/496521208.db2.gz WNUXBFXKSZKRQY-HJNYFJLDSA-N 2 1 372.553 3.214 20 0 FGADMP C[C@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1CC[NH2+]CC1 ZINC000178662753 496532740 /nfs/dbraw/zinc/53/27/40/496532740.db2.gz YHPJBZBBTJTZOZ-RDTXWAMCSA-N 2 1 351.922 3.085 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Br)ccc1F ZINC000178778776 496567772 /nfs/dbraw/zinc/56/77/72/496567772.db2.gz YLWMHWOXKFRWAS-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP C[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C3(CCCCC3)C2)CC1 ZINC000153768141 496573756 /nfs/dbraw/zinc/57/37/56/496573756.db2.gz SNQKYXMXEGXDEN-UHFFFAOYSA-N 2 1 369.553 3.376 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000164049104 496582742 /nfs/dbraw/zinc/58/27/42/496582742.db2.gz MXAKNHFIIRXSSF-MRXNPFEDSA-N 2 1 355.482 3.414 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000178889191 496606266 /nfs/dbraw/zinc/60/62/66/496606266.db2.gz KNAAUOFKIPVRDI-OAQYLSRUSA-N 2 1 357.542 3.404 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000158015628 496608718 /nfs/dbraw/zinc/60/87/18/496608718.db2.gz GXNMOTKQJANWMV-ZCNNSNEGSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000158015628 496608724 /nfs/dbraw/zinc/60/87/24/496608724.db2.gz GXNMOTKQJANWMV-ZCNNSNEGSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000158015628 496608729 /nfs/dbraw/zinc/60/87/29/496608729.db2.gz GXNMOTKQJANWMV-ZCNNSNEGSA-N 2 1 366.594 3.022 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164658392 496626483 /nfs/dbraw/zinc/62/64/83/496626483.db2.gz YRJDXOGRPYTHFD-OAHLLOKOSA-N 2 1 364.515 3.084 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CCOCC1)c1ccccc1 ZINC000153931322 496627334 /nfs/dbraw/zinc/62/73/34/496627334.db2.gz RTLXWWHRCSXNDI-XODKDNOYSA-N 2 1 359.558 3.205 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158110401 496628708 /nfs/dbraw/zinc/62/87/08/496628708.db2.gz SUCZGGPPRIMPOF-UONOGXRCSA-N 2 1 357.420 3.354 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2nccnc2C)CC1 ZINC000187966394 496635679 /nfs/dbraw/zinc/63/56/79/496635679.db2.gz QCLHMQXQHMBSFN-DOTOQJQBSA-N 2 1 371.504 3.478 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2nccnc2C)CC1 ZINC000187966367 496635694 /nfs/dbraw/zinc/63/56/94/496635694.db2.gz QCLHMQXQHMBSFN-NVXWUHKLSA-N 2 1 371.504 3.478 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000173346438 496652689 /nfs/dbraw/zinc/65/26/89/496652689.db2.gz DNQBNCZFWFRYHY-RTBURBONSA-N 2 1 364.578 3.299 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000158264090 496662866 /nfs/dbraw/zinc/66/28/66/496662866.db2.gz BGZDUGVRYMAUIR-OAHLLOKOSA-N 2 1 353.913 3.375 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000188070092 496671424 /nfs/dbraw/zinc/67/14/24/496671424.db2.gz WXMWLUYFQOMFQG-JENIJYKNSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000188070092 496671426 /nfs/dbraw/zinc/67/14/26/496671426.db2.gz WXMWLUYFQOMFQG-JENIJYKNSA-N 2 1 352.544 3.162 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000179090805 496671824 /nfs/dbraw/zinc/67/18/24/496671824.db2.gz QGWKHRDSVPNGHR-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000179090805 496671827 /nfs/dbraw/zinc/67/18/27/496671827.db2.gz QGWKHRDSVPNGHR-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000179090805 496671833 /nfs/dbraw/zinc/67/18/33/496671833.db2.gz QGWKHRDSVPNGHR-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1C ZINC000173429685 496690231 /nfs/dbraw/zinc/69/02/31/496690231.db2.gz HQZKAWSZWLCEEE-DAYGRLMNSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1C ZINC000173429685 496690234 /nfs/dbraw/zinc/69/02/34/496690234.db2.gz HQZKAWSZWLCEEE-DAYGRLMNSA-N 2 1 366.937 3.067 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000185201652 496701916 /nfs/dbraw/zinc/70/19/16/496701916.db2.gz FNWGIGXPVIJWSM-UHFFFAOYSA-N 2 1 357.845 3.183 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCO2 ZINC000182226870 496713963 /nfs/dbraw/zinc/71/39/63/496713963.db2.gz JTCCLLIKXOMJLO-OXQOHEQNSA-N 2 1 368.477 3.223 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)ccc1F ZINC000182269920 496723743 /nfs/dbraw/zinc/72/37/43/496723743.db2.gz NOSQITMXGSLBEC-BEFAXECRSA-N 2 1 358.457 3.252 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3cc(F)ccc32)C1 ZINC000182269200 496724043 /nfs/dbraw/zinc/72/40/43/496724043.db2.gz DIUJRIKQWGBJKM-FPOVZHCZSA-N 2 1 370.468 3.396 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000191470104 496773505 /nfs/dbraw/zinc/77/35/05/496773505.db2.gz KRMSRTSZLOVAFD-AWEZNQCLSA-N 2 1 363.893 3.233 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cn1 ZINC000191470104 496773511 /nfs/dbraw/zinc/77/35/11/496773511.db2.gz KRMSRTSZLOVAFD-AWEZNQCLSA-N 2 1 363.893 3.233 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)cc2c(OC)c1 ZINC000247120732 496785591 /nfs/dbraw/zinc/78/55/91/496785591.db2.gz PRQKYXAOBLFQNG-YZVOILCLSA-N 2 1 359.514 3.436 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000191502024 496786197 /nfs/dbraw/zinc/78/61/97/496786197.db2.gz YRDLXJNRGJGRDA-SFHVURJKSA-N 2 1 356.514 3.171 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(C)cc1 ZINC000191502024 496786203 /nfs/dbraw/zinc/78/62/03/496786203.db2.gz YRDLXJNRGJGRDA-SFHVURJKSA-N 2 1 356.514 3.171 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H](C)C1 ZINC000247174901 496797592 /nfs/dbraw/zinc/79/75/92/496797592.db2.gz UVIRMCFNZBFFBO-MGPUTAFESA-N 2 1 351.485 3.249 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192551 496801538 /nfs/dbraw/zinc/80/15/38/496801538.db2.gz VTGZSGKJIBKXQT-JKSUJKDBSA-N 2 1 370.534 3.392 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+]1CCCCCC1 ZINC000247224408 496809509 /nfs/dbraw/zinc/80/95/09/496809509.db2.gz RMZASWFNNBIZFW-DYXWJJEUSA-N 2 1 357.542 3.420 20 0 FGADMP CCOc1cc2[nH+]ccc(NCC[N@H+]3CCCOCC3)c2cc1OCC ZINC000188502684 496812169 /nfs/dbraw/zinc/81/21/69/496812169.db2.gz FWJXOKNDORTZMK-UHFFFAOYSA-N 2 1 359.470 3.166 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)CC1 ZINC000268891718 496815847 /nfs/dbraw/zinc/81/58/47/496815847.db2.gz ZEQFAYGPRPNMKO-KRWDZBQOSA-N 2 1 358.530 3.078 20 0 FGADMP Cc1ccc2nc(C[NH2+]Cc3ccc(OCCC[NH+](C)C)cc3)cn2c1 ZINC000264231385 496845535 /nfs/dbraw/zinc/84/55/35/496845535.db2.gz BOOCHOPWPXBSKR-UHFFFAOYSA-N 2 1 352.482 3.263 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000247479750 496868643 /nfs/dbraw/zinc/86/86/43/496868643.db2.gz JZUJBTYJGKOAAL-MAUKXSAKSA-N 2 1 351.922 3.151 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)c1ccccc1 ZINC000195298041 496879499 /nfs/dbraw/zinc/87/94/99/496879499.db2.gz IPBPZMBUTGHUFQ-OAQYLSRUSA-N 2 1 351.494 3.202 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247524537 496880551 /nfs/dbraw/zinc/88/05/51/496880551.db2.gz NSCDVPQRLVXZPM-TZIWHRDSSA-N 2 1 372.484 3.019 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc(Br)ncc1F ZINC000273816560 496918068 /nfs/dbraw/zinc/91/80/68/496918068.db2.gz CCPULDYUMIJKRY-MNOVXSKESA-N 2 1 355.255 3.475 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000580941373 505873492 /nfs/dbraw/zinc/87/34/92/505873492.db2.gz FMGZDZVAAYKUEU-MSOLQXFVSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000247958230 496932353 /nfs/dbraw/zinc/93/23/53/496932353.db2.gz FWHZJUQBDANQKB-HOCLYGCPSA-N 2 1 360.420 3.473 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000247969688 496934372 /nfs/dbraw/zinc/93/43/72/496934372.db2.gz HEEFJBAPYDYUSS-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000247969688 496934375 /nfs/dbraw/zinc/93/43/75/496934375.db2.gz HEEFJBAPYDYUSS-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981304 496938933 /nfs/dbraw/zinc/93/89/33/496938933.db2.gz IJROFDQZWVHDDC-CXAGYDPISA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981304 496938940 /nfs/dbraw/zinc/93/89/40/496938940.db2.gz IJROFDQZWVHDDC-CXAGYDPISA-N 2 1 353.869 3.224 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)CC[C@H]21 ZINC000247981304 496938945 /nfs/dbraw/zinc/93/89/45/496938945.db2.gz IJROFDQZWVHDDC-CXAGYDPISA-N 2 1 353.869 3.224 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988820 496939693 /nfs/dbraw/zinc/93/96/93/496939693.db2.gz JCYNVROJVUMJKU-CRAIPNDOSA-N 2 1 357.523 3.296 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000248127599 496958810 /nfs/dbraw/zinc/95/88/10/496958810.db2.gz XIJSQOISOOJIJO-PZJWPPBQSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000248127599 496958815 /nfs/dbraw/zinc/95/88/15/496958815.db2.gz XIJSQOISOOJIJO-PZJWPPBQSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000248127599 496958819 /nfs/dbraw/zinc/95/88/19/496958819.db2.gz XIJSQOISOOJIJO-PZJWPPBQSA-N 2 1 357.542 3.422 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000248173203 496968881 /nfs/dbraw/zinc/96/88/81/496968881.db2.gz VEHGNAMLMJJMAP-PMACEKPBSA-N 2 1 357.542 3.230 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000248173203 496968883 /nfs/dbraw/zinc/96/88/83/496968883.db2.gz VEHGNAMLMJJMAP-PMACEKPBSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000248173203 496968885 /nfs/dbraw/zinc/96/88/85/496968885.db2.gz VEHGNAMLMJJMAP-PMACEKPBSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000248173203 496968886 /nfs/dbraw/zinc/96/88/86/496968886.db2.gz VEHGNAMLMJJMAP-PMACEKPBSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000248397953 496994449 /nfs/dbraw/zinc/99/44/49/496994449.db2.gz ILXRSRDEWYLDFF-BQFCYCMXSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000248397953 496994455 /nfs/dbraw/zinc/99/44/55/496994455.db2.gz ILXRSRDEWYLDFF-BQFCYCMXSA-N 2 1 364.555 3.394 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395686 496994687 /nfs/dbraw/zinc/99/46/87/496994687.db2.gz GOJCDJDXQUDMGQ-YRXWBPOGSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248395686 496994690 /nfs/dbraw/zinc/99/46/90/496994690.db2.gz GOJCDJDXQUDMGQ-YRXWBPOGSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248395686 496994692 /nfs/dbraw/zinc/99/46/92/496994692.db2.gz GOJCDJDXQUDMGQ-YRXWBPOGSA-N 2 1 364.578 3.059 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H](N3C(=O)c4ccccc4C3=O)C2)CC1 ZINC000269730408 496995947 /nfs/dbraw/zinc/99/59/47/496995947.db2.gz YHNRKMPSZRTODC-ROUUACIJSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCO1 ZINC000278080260 496997597 /nfs/dbraw/zinc/99/75/97/496997597.db2.gz ZZTWIGZPQNFTPU-LJQANCHMSA-N 2 1 369.509 3.251 20 0 FGADMP O=C(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N1CCCCC1 ZINC000248405310 496998068 /nfs/dbraw/zinc/99/80/68/496998068.db2.gz REDGMXHISWQIRE-FDFHNCONSA-N 2 1 369.553 3.279 20 0 FGADMP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c1 ZINC000269973185 497035307 /nfs/dbraw/zinc/03/53/07/497035307.db2.gz OUZNOCZXTHIANO-JYJNAYRXSA-N 2 1 369.431 3.380 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248589108 497049982 /nfs/dbraw/zinc/04/99/82/497049982.db2.gz QSQBPAJJLIGCDS-SVFBPWRDSA-N 2 1 360.542 3.286 20 0 FGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cnn1C(C)(C)C ZINC000248677115 497078028 /nfs/dbraw/zinc/07/80/28/497078028.db2.gz AOYVFCTUUPGYEF-RYGJVYDSSA-N 2 1 362.562 3.365 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)cs1 ZINC000248728053 497090466 /nfs/dbraw/zinc/09/04/66/497090466.db2.gz JPYDWCMIJOTVCO-OCCSQVGLSA-N 2 1 361.349 3.398 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405019 497103238 /nfs/dbraw/zinc/10/32/38/497103238.db2.gz DUVQTNRGGZBMFN-IAGOWNOFSA-N 2 1 374.529 3.122 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405019 497103245 /nfs/dbraw/zinc/10/32/45/497103245.db2.gz DUVQTNRGGZBMFN-IAGOWNOFSA-N 2 1 374.529 3.122 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000248822140 497110558 /nfs/dbraw/zinc/11/05/58/497110558.db2.gz XTSJLGMJHIWRGA-LNRXMEIDSA-N 2 1 354.538 3.488 20 0 FGADMP CC(C)(C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000236602580 497120396 /nfs/dbraw/zinc/12/03/96/497120396.db2.gz DQWHIEWOPNKKHE-UHFFFAOYSA-N 2 1 358.313 3.059 20 0 FGADMP C[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482883 497131588 /nfs/dbraw/zinc/13/15/88/497131588.db2.gz AUSKLDDTIGSSFW-INIZCTEOSA-N 2 1 362.411 3.357 20 0 FGADMP C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189482883 497131592 /nfs/dbraw/zinc/13/15/92/497131592.db2.gz AUSKLDDTIGSSFW-INIZCTEOSA-N 2 1 362.411 3.357 20 0 FGADMP C[NH+](CCOCC(F)(F)C(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482883 497131596 /nfs/dbraw/zinc/13/15/96/497131596.db2.gz AUSKLDDTIGSSFW-INIZCTEOSA-N 2 1 362.411 3.357 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000192528702 497141623 /nfs/dbraw/zinc/14/16/23/497141623.db2.gz DJRUDMLDWULRNM-PIPMEXSNSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000270531296 497145984 /nfs/dbraw/zinc/14/59/84/497145984.db2.gz UXGPZTHVOXFLQD-CYBMUJFWSA-N 2 1 359.345 3.254 20 0 FGADMP Cc1ccc(C)c([C@@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H](C)CO2)c1 ZINC000249053148 497155937 /nfs/dbraw/zinc/15/59/37/497155937.db2.gz OONIMEJUGNAGKP-GMAHTHKFSA-N 2 1 373.585 3.481 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2C[C@@H](O)c2cccs2)CC1 ZINC000249301496 497190029 /nfs/dbraw/zinc/19/00/29/497190029.db2.gz SAJPEXBBCWGWOP-RTBURBONSA-N 2 1 365.587 3.052 20 0 FGADMP CC(C)OCCN1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885458 497190203 /nfs/dbraw/zinc/19/02/03/497190203.db2.gz IIVNBYUVVROVBC-IRLDBZIGSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885458 497190212 /nfs/dbraw/zinc/19/02/12/497190212.db2.gz IIVNBYUVVROVBC-IRLDBZIGSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885458 497190219 /nfs/dbraw/zinc/19/02/19/497190219.db2.gz IIVNBYUVVROVBC-IRLDBZIGSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C[C@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747046 497202514 /nfs/dbraw/zinc/20/25/14/497202514.db2.gz WROFAIVQTOISCH-LZBANZJXSA-N 2 1 365.606 3.462 20 0 FGADMP CC(C)[NH+]1CCN(C2CCN(Cc3coc(-c4cccs4)n3)CC2)CC1 ZINC000270841018 497213732 /nfs/dbraw/zinc/21/37/32/497213732.db2.gz FCLSFYXURVGAGB-UHFFFAOYSA-N 2 1 374.554 3.394 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237343524 497223403 /nfs/dbraw/zinc/22/34/03/497223403.db2.gz CNSCVAMSUQNALV-XLIONFOSSA-N 2 1 355.526 3.067 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@H]2C)on1 ZINC000249769158 497245989 /nfs/dbraw/zinc/24/59/89/497245989.db2.gz RQJVQXYWRYOECI-SJORKVTESA-N 2 1 370.497 3.474 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@H]2C)on1 ZINC000249769158 497245996 /nfs/dbraw/zinc/24/59/96/497245996.db2.gz RQJVQXYWRYOECI-SJORKVTESA-N 2 1 370.497 3.474 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271043217 497251433 /nfs/dbraw/zinc/25/14/33/497251433.db2.gz OIOKDJFJLQOVLE-UHFFFAOYSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1OC ZINC000271043217 497251438 /nfs/dbraw/zinc/25/14/38/497251438.db2.gz OIOKDJFJLQOVLE-UHFFFAOYSA-N 2 1 350.503 3.407 20 0 FGADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237539621 497253757 /nfs/dbraw/zinc/25/37/57/497253757.db2.gz TVEAYVFCEFSYAY-YJBOKZPZSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237539621 497253760 /nfs/dbraw/zinc/25/37/60/497253760.db2.gz TVEAYVFCEFSYAY-YJBOKZPZSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000237592792 497260506 /nfs/dbraw/zinc/26/05/06/497260506.db2.gz RDGNLNMCWOLLSI-GHTZIAJQSA-N 2 1 351.494 3.027 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235777 505894859 /nfs/dbraw/zinc/89/48/59/505894859.db2.gz XNYKBLANJXVWBD-SYYKKAFVSA-N 2 1 365.521 3.493 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000237951192 497319390 /nfs/dbraw/zinc/31/93/90/497319390.db2.gz YVYLEZRUQWNKRR-SEJPIABJSA-N 2 1 355.526 3.078 20 0 FGADMP [NH3+]C[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000238019383 497327785 /nfs/dbraw/zinc/32/77/85/497327785.db2.gz JUQSEQMOBGOKMM-LQCXBHPOSA-N 2 1 363.505 3.041 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000279212703 497369476 /nfs/dbraw/zinc/36/94/76/497369476.db2.gz YIBFROMDEBBCAO-JXFKEZNVSA-N 2 1 352.482 3.040 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000266596433 497378445 /nfs/dbraw/zinc/37/84/45/497378445.db2.gz OQQJGZFXIVAHTC-YOEHRIQHSA-N 2 1 355.320 3.146 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000266596433 497378451 /nfs/dbraw/zinc/37/84/51/497378451.db2.gz OQQJGZFXIVAHTC-YOEHRIQHSA-N 2 1 355.320 3.146 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000245418315 497396300 /nfs/dbraw/zinc/39/63/00/497396300.db2.gz AUHZBCNFQLSWCW-PBHICJAKSA-N 2 1 355.320 3.337 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000245440520 497407954 /nfs/dbraw/zinc/40/79/54/497407954.db2.gz UOUMHKYFPZHDHS-MPGHIAIKSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000275845508 497446808 /nfs/dbraw/zinc/44/68/08/497446808.db2.gz KCURCLRCEAMYQY-TZIWHRDSSA-N 2 1 355.530 3.428 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000193716946 497456825 /nfs/dbraw/zinc/45/68/25/497456825.db2.gz JIHLQXBQVUZKRZ-HXUWFJFHSA-N 2 1 366.509 3.392 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271817114 497459464 /nfs/dbraw/zinc/45/94/64/497459464.db2.gz BPKOZTDSUPUQHQ-CYBMUJFWSA-N 2 1 371.403 3.154 20 0 FGADMP C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccccc3F)C2=O)C[C@H]1n1ccnc1 ZINC000245611899 497474322 /nfs/dbraw/zinc/47/43/22/497474322.db2.gz OGMUMTHAQJGQSD-ATZDWAIDSA-N 2 1 356.445 3.101 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000276035278 497485742 /nfs/dbraw/zinc/48/57/42/497485742.db2.gz RQXMVPNFBRQRGQ-OAQYLSRUSA-N 2 1 374.573 3.264 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000193846558 497500633 /nfs/dbraw/zinc/50/06/33/497500633.db2.gz HFLKUFWXIWHLSI-CALCHBBNSA-N 2 1 366.594 3.305 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694896 497505414 /nfs/dbraw/zinc/50/54/14/497505414.db2.gz CDBTVZXNQSTMGT-HKUYNNGSSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694896 497505418 /nfs/dbraw/zinc/50/54/18/497505418.db2.gz CDBTVZXNQSTMGT-HKUYNNGSSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@@H](C)C1 ZINC000245694896 497505421 /nfs/dbraw/zinc/50/54/21/497505421.db2.gz CDBTVZXNQSTMGT-HKUYNNGSSA-N 2 1 362.514 3.017 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000245712043 497512271 /nfs/dbraw/zinc/51/22/71/497512271.db2.gz GENTWLYOYKHBJC-FQEVSTJZSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000245712043 497512273 /nfs/dbraw/zinc/51/22/73/497512273.db2.gz GENTWLYOYKHBJC-FQEVSTJZSA-N 3 1 370.585 3.135 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227725 497527220 /nfs/dbraw/zinc/52/72/20/497527220.db2.gz GLZKEMICYWIXOX-PAVKGVHNSA-N 2 1 361.574 3.253 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccc(F)cn2)CC1 ZINC000276291799 497537150 /nfs/dbraw/zinc/53/71/50/497537150.db2.gz VQNHXWAWYJRBGU-HNNXBMFYSA-N 2 1 360.452 3.353 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209561 497564941 /nfs/dbraw/zinc/56/49/41/497564941.db2.gz PXQPGIXQFQDDOF-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000262617905 497584208 /nfs/dbraw/zinc/58/42/08/497584208.db2.gz CBRGWDRRQILUAD-KRWDZBQOSA-N 2 1 363.571 3.376 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262629321 497587646 /nfs/dbraw/zinc/58/76/46/497587646.db2.gz DCQDQLZVUXCWFC-MJLAPFRSSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657725 497593365 /nfs/dbraw/zinc/59/33/65/497593365.db2.gz VGVGVDJNQNAQMX-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000262659010 497593430 /nfs/dbraw/zinc/59/34/30/497593430.db2.gz FDLZYWMVYUWYOJ-FIKGOQFSSA-N 2 1 367.493 3.354 20 0 FGADMP CC[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000262660010 497594755 /nfs/dbraw/zinc/59/47/55/497594755.db2.gz FUMHYGNTUSQDNC-ZPMCFJSWSA-N 2 1 365.521 3.276 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000262667408 497595901 /nfs/dbraw/zinc/59/59/01/497595901.db2.gz QAXJPIBFTVVHKX-JOCHJYFZSA-N 2 1 365.521 3.365 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262673559 497597167 /nfs/dbraw/zinc/59/71/67/497597167.db2.gz PZVZZYKIRBGDDJ-HFRPFFAFSA-N 2 1 369.553 3.455 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000262687540 497600476 /nfs/dbraw/zinc/60/04/76/497600476.db2.gz YIQZFLSURXVQAY-RBBKRZOGSA-N 2 1 365.521 3.365 20 0 FGADMP C[C@@]1(O)CCC[N@@H+](Cc2ccc(C[NH+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000279957103 497601709 /nfs/dbraw/zinc/60/17/09/497601709.db2.gz GWRPPXGIPWEWHG-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000279957103 497601711 /nfs/dbraw/zinc/60/17/11/497601711.db2.gz GWRPPXGIPWEWHG-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2ccc(C[N@H+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000279957103 497601715 /nfs/dbraw/zinc/60/17/15/497601715.db2.gz GWRPPXGIPWEWHG-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000578334569 505917509 /nfs/dbraw/zinc/91/75/09/505917509.db2.gz IBQNWUSTRLDVJJ-ZFMNYDKASA-N 2 1 372.557 3.198 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000246127073 497631211 /nfs/dbraw/zinc/63/12/11/497631211.db2.gz WYQWBLJLCWZSIT-QKYXUNIQSA-N 2 1 369.513 3.414 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000246140232 497635103 /nfs/dbraw/zinc/63/51/03/497635103.db2.gz BVPHLAZSXDOSIV-LMNJBCLMSA-N 2 1 370.541 3.056 20 0 FGADMP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000575095721 505919825 /nfs/dbraw/zinc/91/98/25/505919825.db2.gz SAPGGJXWADXMBE-BLLLJJGKSA-N 2 1 369.303 3.008 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc(Br)o1 ZINC000190907265 497640564 /nfs/dbraw/zinc/64/05/64/497640564.db2.gz VDQXQJOMTWFIQK-UHFFFAOYSA-N 2 1 353.260 3.272 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000262928642 497658083 /nfs/dbraw/zinc/65/80/83/497658083.db2.gz SMEICFMDJSKYNS-JZWVFAODSA-N 2 1 365.521 3.372 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190951117 497658095 /nfs/dbraw/zinc/65/80/95/497658095.db2.gz YGAIMBQLRZYVSM-NJYVYQBISA-N 2 1 363.590 3.359 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000246205971 497660728 /nfs/dbraw/zinc/66/07/28/497660728.db2.gz NHEGHOUCFCYYOD-KURKYZTESA-N 2 1 351.535 3.238 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3C)C2)CC1 ZINC000191066047 497698430 /nfs/dbraw/zinc/69/84/30/497698430.db2.gz IBIIFISJBRAHGF-SFHVURJKSA-N 2 1 355.448 3.226 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cnn1C(C)C ZINC000191192838 497738965 /nfs/dbraw/zinc/73/89/65/497738965.db2.gz HITQXIGNYLDGFV-GOSISDBHSA-N 2 1 369.557 3.371 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000263263932 497745115 /nfs/dbraw/zinc/74/51/15/497745115.db2.gz RHTMMHHYOYBKMY-URVUXULASA-N 2 1 357.542 3.265 20 0 FGADMP Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000263286874 497750020 /nfs/dbraw/zinc/75/00/20/497750020.db2.gz UVRZFRLLBPHISE-UHFFFAOYSA-N 2 1 372.513 3.020 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000194741077 497755924 /nfs/dbraw/zinc/75/59/24/497755924.db2.gz AKVRVWJSWYSOPV-QGZVFWFLSA-N 2 1 374.529 3.167 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000191270519 497763509 /nfs/dbraw/zinc/76/35/09/497763509.db2.gz ULIJBGIYECLKFM-UHFFFAOYSA-N 2 1 360.546 3.051 20 0 FGADMP Cc1cc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000569417683 505928929 /nfs/dbraw/zinc/92/89/29/505928929.db2.gz YLZIBMUNPDBDOC-ROUUACIJSA-N 2 1 373.545 3.052 20 0 FGADMP CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268539375 497776853 /nfs/dbraw/zinc/77/68/53/497776853.db2.gz SHNYHMSWMBGONZ-FQEVSTJZSA-N 2 1 372.557 3.165 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)C1 ZINC000246833378 497814727 /nfs/dbraw/zinc/81/47/27/497814727.db2.gz UERDWLJKERFMCJ-MSOLQXFVSA-N 2 1 361.534 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)C1 ZINC000246833378 497814728 /nfs/dbraw/zinc/81/47/28/497814728.db2.gz UERDWLJKERFMCJ-MSOLQXFVSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246929391 497820814 /nfs/dbraw/zinc/82/08/14/497820814.db2.gz SYOKKSGXBONFID-NZGUISNBSA-N 2 1 367.537 3.301 20 0 FGADMP COc1ccccc1-n1nccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000575194307 505940403 /nfs/dbraw/zinc/94/04/03/505940403.db2.gz XSMWRXLYFFPRCS-UHFFFAOYSA-N 2 1 356.514 3.433 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cn1cccn1 ZINC000295987829 497880831 /nfs/dbraw/zinc/88/08/31/497880831.db2.gz PICMNHRYHNXUIR-FAXKSRBJSA-N 2 1 354.498 3.216 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000569464337 505941267 /nfs/dbraw/zinc/94/12/67/505941267.db2.gz YJLQAWPHDOYTLJ-NRFANRHFSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000569464337 505941271 /nfs/dbraw/zinc/94/12/71/505941271.db2.gz YJLQAWPHDOYTLJ-NRFANRHFSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000569464337 505941275 /nfs/dbraw/zinc/94/12/75/505941275.db2.gz YJLQAWPHDOYTLJ-NRFANRHFSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000569464337 505941278 /nfs/dbraw/zinc/94/12/78/505941278.db2.gz YJLQAWPHDOYTLJ-NRFANRHFSA-N 2 1 373.516 3.125 20 0 FGADMP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000578479531 505949151 /nfs/dbraw/zinc/94/91/51/505949151.db2.gz OBVRGCCUXWEZAD-KSEOMHKRSA-N 2 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000578479531 505949152 /nfs/dbraw/zinc/94/91/52/505949152.db2.gz OBVRGCCUXWEZAD-KSEOMHKRSA-N 3 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000578479531 505949155 /nfs/dbraw/zinc/94/91/55/505949155.db2.gz OBVRGCCUXWEZAD-KSEOMHKRSA-N 3 1 352.526 3.243 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263380 497944733 /nfs/dbraw/zinc/94/47/33/497944733.db2.gz TVBGEZBBZRMUJU-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000572374078 505953747 /nfs/dbraw/zinc/95/37/47/505953747.db2.gz MIDGIFZPVKTELP-BHYGNILZSA-N 2 1 370.946 3.144 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506756 505956904 /nfs/dbraw/zinc/95/69/04/505956904.db2.gz XNRDGKCINGLHOT-ICSRJNTNSA-N 2 1 357.542 3.326 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506756 505956906 /nfs/dbraw/zinc/95/69/06/505956906.db2.gz XNRDGKCINGLHOT-ICSRJNTNSA-N 2 1 357.542 3.326 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000578512470 505957919 /nfs/dbraw/zinc/95/79/19/505957919.db2.gz VWERQVUYVPIXDB-LAUBAEHRSA-N 2 1 364.493 3.461 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000578512470 505957920 /nfs/dbraw/zinc/95/79/20/505957920.db2.gz VWERQVUYVPIXDB-LAUBAEHRSA-N 2 1 364.493 3.461 20 0 FGADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)Cc1ccccc1 ZINC000364586969 498037831 /nfs/dbraw/zinc/03/78/31/498037831.db2.gz ZCPXJUJXXPQRFY-RNTGTLJKSA-N 2 1 374.569 3.095 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(OC)c1O ZINC000289208348 498061144 /nfs/dbraw/zinc/06/11/44/498061144.db2.gz IIXKZQXINRYWEC-SFHVURJKSA-N 2 1 370.493 3.064 20 0 FGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000285358778 498062209 /nfs/dbraw/zinc/06/22/09/498062209.db2.gz VOAAOCFEJOJSQH-RXVVDRJESA-N 2 1 352.478 3.126 20 0 FGADMP C[NH+](C)CCOc1cccc(-c2noc([C@H](c3ccccc3)[NH+](C)C)n2)c1 ZINC000289249979 498078288 /nfs/dbraw/zinc/07/82/88/498078288.db2.gz XDLSGUZVSCANND-IBGZPJMESA-N 2 1 366.465 3.328 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350362684 498086844 /nfs/dbraw/zinc/08/68/44/498086844.db2.gz VQXPSJZBLJPLTP-LPHOPBHVSA-N 2 1 350.507 3.050 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350362684 498086849 /nfs/dbraw/zinc/08/68/49/498086849.db2.gz VQXPSJZBLJPLTP-LPHOPBHVSA-N 2 1 350.507 3.050 20 0 FGADMP COc1ccc([C@@H](NC(=O)CN2CCC(n3ccnc3)CC2)C(C)C)cc1 ZINC000364729553 498117814 /nfs/dbraw/zinc/11/78/14/498117814.db2.gz HGXDFDOYWSKRIX-NRFANRHFSA-N 2 1 370.497 3.042 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccccc3OC(F)(F)F)CC2)CC1 ZINC000289403591 498134254 /nfs/dbraw/zinc/13/42/54/498134254.db2.gz GXAUOKGCKLXFHB-UHFFFAOYSA-N 2 1 371.447 3.045 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC12CCOCC2 ZINC000578627937 505984530 /nfs/dbraw/zinc/98/45/30/505984530.db2.gz PYIKMAOHSCKJCO-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC12CCOCC2 ZINC000578627937 505984534 /nfs/dbraw/zinc/98/45/34/505984534.db2.gz PYIKMAOHSCKJCO-OAHLLOKOSA-N 2 1 361.873 3.182 20 0 FGADMP CCN(CC(=O)NC[C@H](c1ccco1)[NH+](C)C)Cc1ccccc1Cl ZINC000578674473 505994338 /nfs/dbraw/zinc/99/43/38/505994338.db2.gz PICNBELTPMTVGC-QGZVFWFLSA-N 2 1 363.889 3.174 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000569705099 505998411 /nfs/dbraw/zinc/99/84/11/505998411.db2.gz GNZRXKRBKNAYDY-DLBZAZTESA-N 2 1 359.514 3.160 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000569705099 505998413 /nfs/dbraw/zinc/99/84/13/505998413.db2.gz GNZRXKRBKNAYDY-DLBZAZTESA-N 2 1 359.514 3.160 20 0 FGADMP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975397 498219180 /nfs/dbraw/zinc/21/91/80/498219180.db2.gz QKVADTMLVXKXLJ-YJBOKZPZSA-N 2 1 371.481 3.285 20 0 FGADMP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975397 498219189 /nfs/dbraw/zinc/21/91/89/498219189.db2.gz QKVADTMLVXKXLJ-YJBOKZPZSA-N 2 1 371.481 3.285 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000286028770 498271588 /nfs/dbraw/zinc/27/15/88/498271588.db2.gz JAOVTHJKGFQEEA-KAOXLYBCSA-N 2 1 372.553 3.054 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000365273125 498382484 /nfs/dbraw/zinc/38/24/84/498382484.db2.gz YSPTUYOPCINNJR-YUXAGFNASA-N 2 1 368.525 3.160 20 0 FGADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000302054483 498387187 /nfs/dbraw/zinc/38/71/87/498387187.db2.gz QDSWIVLPLDWBQL-HXUWFJFHSA-N 2 1 366.509 3.024 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293530243 498404277 /nfs/dbraw/zinc/40/42/77/498404277.db2.gz DTZVPERNIXHUGN-APWZRJJASA-N 2 1 365.477 3.018 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1OC ZINC000575915085 506031582 /nfs/dbraw/zinc/03/15/82/506031582.db2.gz IXNKELZLNMLGGN-UHFFFAOYSA-N 2 1 368.481 3.326 20 0 FGADMP COCC[NH+](CCOC)C1CCN(c2[nH+]ccc3ccc(C)cc32)CC1 ZINC000572716334 506034945 /nfs/dbraw/zinc/03/49/45/506034945.db2.gz GUKAGJQMGYRTJK-UHFFFAOYSA-N 2 1 357.498 3.107 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000362104519 498465184 /nfs/dbraw/zinc/46/51/84/498465184.db2.gz YBLWGLVAIKBIRT-OAQYLSRUSA-N 2 1 372.557 3.475 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793197 498490617 /nfs/dbraw/zinc/49/06/17/498490617.db2.gz UNGPLUMHQOZCCR-LVCYWYKZSA-N 2 1 364.505 3.384 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000302597755 498515843 /nfs/dbraw/zinc/51/58/43/498515843.db2.gz VQXSOPHWISDRHJ-UHFFFAOYSA-N 2 1 358.267 3.254 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3sc(Br)cc32)CC1 ZINC000293889190 498523585 /nfs/dbraw/zinc/52/35/85/498523585.db2.gz VTUURLUYZUFXRY-CQSZACIVSA-N 2 1 372.376 3.115 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)s1 ZINC000282473114 498525858 /nfs/dbraw/zinc/52/58/58/498525858.db2.gz UVDCAVZDNAKRMX-GFCCVEGCSA-N 2 1 360.365 3.187 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cscc2C(F)(F)F)CC1 ZINC000572773496 506048487 /nfs/dbraw/zinc/04/84/87/506048487.db2.gz SFBOWPJTFIBELX-LBPRGKRZSA-N 2 1 350.450 3.292 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)C1=O ZINC000293919201 498533144 /nfs/dbraw/zinc/53/31/44/498533144.db2.gz XTHAIOWIDPMOPP-XNFNUYLZSA-N 2 1 370.472 3.267 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000362656179 498533701 /nfs/dbraw/zinc/53/37/01/498533701.db2.gz RDBRIJJYCQTVGU-UHFFFAOYSA-N 2 1 371.529 3.042 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000365709729 498607708 /nfs/dbraw/zinc/60/77/08/498607708.db2.gz FLLRHUXDRSZUIK-YTQPIUFNSA-N 2 1 364.578 3.154 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569986329 506062622 /nfs/dbraw/zinc/06/26/22/506062622.db2.gz SZIFAMNFZNAWJS-IBGZPJMESA-N 2 1 367.493 3.217 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624494 498622894 /nfs/dbraw/zinc/62/28/94/498622894.db2.gz CLZFBGNFMSFKGZ-PZJWPPBQSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624494 498622901 /nfs/dbraw/zinc/62/29/01/498622901.db2.gz CLZFBGNFMSFKGZ-PZJWPPBQSA-N 2 1 368.525 3.027 20 0 FGADMP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000302971101 498634496 /nfs/dbraw/zinc/63/44/96/498634496.db2.gz OAHKOSIAYPIHPN-HXUWFJFHSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000572857715 506069175 /nfs/dbraw/zinc/06/91/75/506069175.db2.gz ROTQSHMIRFKFOI-AZUAARDMSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)N1CCc2ccccc2C1 ZINC000303492915 498681633 /nfs/dbraw/zinc/68/16/33/498681633.db2.gz SNIGISJTXSGTGZ-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000303492915 498681640 /nfs/dbraw/zinc/68/16/40/498681640.db2.gz SNIGISJTXSGTGZ-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000303492915 498681644 /nfs/dbraw/zinc/68/16/44/498681644.db2.gz SNIGISJTXSGTGZ-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCC[N@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000303492915 498681651 /nfs/dbraw/zinc/68/16/51/498681651.db2.gz SNIGISJTXSGTGZ-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000303492915 498681655 /nfs/dbraw/zinc/68/16/55/498681655.db2.gz SNIGISJTXSGTGZ-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H]1CC/C(=C\C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365925090 498701221 /nfs/dbraw/zinc/70/12/21/498701221.db2.gz SNGWOJBDSNICOZ-GMQRBVGNSA-N 2 1 361.574 3.388 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312120545 498757630 /nfs/dbraw/zinc/75/76/30/498757630.db2.gz UXAIEPAVBVJKGD-FMWKFLBASA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312120545 498757637 /nfs/dbraw/zinc/75/76/37/498757637.db2.gz UXAIEPAVBVJKGD-FMWKFLBASA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312120545 498757640 /nfs/dbraw/zinc/75/76/40/498757640.db2.gz UXAIEPAVBVJKGD-FMWKFLBASA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312120545 498757643 /nfs/dbraw/zinc/75/76/43/498757643.db2.gz UXAIEPAVBVJKGD-FMWKFLBASA-N 2 1 357.542 3.134 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000363349953 498775656 /nfs/dbraw/zinc/77/56/56/498775656.db2.gz UBKBZRABMRMUAE-QGZVFWFLSA-N 2 1 366.575 3.073 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)cc1 ZINC000298463325 498780010 /nfs/dbraw/zinc/78/00/10/498780010.db2.gz OJGKYERXZOJPSG-UHFFFAOYSA-N 3 1 364.537 3.347 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298606826 498827468 /nfs/dbraw/zinc/82/74/68/498827468.db2.gz ZQZTZNNQNIRWDG-NRFANRHFSA-N 3 1 364.537 3.205 20 0 FGADMP C[N@H+](CCSc1ccccc1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452667 498828783 /nfs/dbraw/zinc/82/87/83/498828783.db2.gz KNGNSZWXMRZWDW-UHFFFAOYSA-N 2 1 352.519 3.493 20 0 FGADMP C[N@@H+](CCSc1ccccc1F)C1CC[NH+](C2CCOCC2)CC1 ZINC000363452667 498828790 /nfs/dbraw/zinc/82/87/90/498828790.db2.gz KNGNSZWXMRZWDW-UHFFFAOYSA-N 2 1 352.519 3.493 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952737 506099096 /nfs/dbraw/zinc/09/90/96/506099096.db2.gz STPZIVNQDGTAAU-APWZRJJASA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952737 506099100 /nfs/dbraw/zinc/09/91/00/506099100.db2.gz STPZIVNQDGTAAU-APWZRJJASA-N 2 1 363.933 3.133 20 0 FGADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363479000 498841351 /nfs/dbraw/zinc/84/13/51/498841351.db2.gz FCFUQZKOXFHHQM-AWEZNQCLSA-N 2 1 369.962 3.024 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000332990821 498859920 /nfs/dbraw/zinc/85/99/20/498859920.db2.gz HMXUCZXMFKXPLC-QAPCUYQASA-N 2 1 358.530 3.155 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](C)C(=O)NC3CCCCC3)C1)CCCC2 ZINC000332990821 498859925 /nfs/dbraw/zinc/85/99/25/498859925.db2.gz HMXUCZXMFKXPLC-QAPCUYQASA-N 2 1 358.530 3.155 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@](C)(O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328644530 498887056 /nfs/dbraw/zinc/88/70/56/498887056.db2.gz RTFFTVNCTMRCMY-BWAGFHJFSA-N 2 1 370.541 3.033 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)c3ccccc3c2)CC1 ZINC000582016305 506113437 /nfs/dbraw/zinc/11/34/37/506113437.db2.gz RTXSTBUIPRYNRK-UHFFFAOYSA-N 2 1 364.424 3.378 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ncc(-c2ccccc2F)o1 ZINC000363703756 498951492 /nfs/dbraw/zinc/95/14/92/498951492.db2.gz GIXOUZQURGTSRU-GJYPPUQNSA-N 2 1 373.472 3.460 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000283671221 498952884 /nfs/dbraw/zinc/95/28/84/498952884.db2.gz VHZRNXVRGMWEAN-LJQANCHMSA-N 2 1 355.526 3.099 20 0 FGADMP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000573093851 506117586 /nfs/dbraw/zinc/11/75/86/506117586.db2.gz UNDUHXMDFVJXKM-FSSWDIPSSA-N 2 1 369.553 3.074 20 0 FGADMP COc1cccc(OC)c1OC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000299133777 498974764 /nfs/dbraw/zinc/97/47/64/498974764.db2.gz QKNGICSANBHOOB-UHFFFAOYSA-N 2 1 362.514 3.423 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1NC1CC[NH+](C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299149502 498978929 /nfs/dbraw/zinc/97/89/29/498978929.db2.gz YRHTZJJJHSWRLS-BBWFWOEESA-N 2 1 358.530 3.393 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834618 499017442 /nfs/dbraw/zinc/01/74/42/499017442.db2.gz RUPCZKXBXXRPKC-QGZVKYPTSA-N 2 1 374.525 3.388 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834618 499017444 /nfs/dbraw/zinc/01/74/44/499017444.db2.gz RUPCZKXBXXRPKC-QGZVKYPTSA-N 2 1 374.525 3.388 20 0 FGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000366730494 499051664 /nfs/dbraw/zinc/05/16/64/499051664.db2.gz OXVFWDBWJPERTC-HUUCEWRRSA-N 2 1 357.454 3.191 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329181855 499065496 /nfs/dbraw/zinc/06/54/96/499065496.db2.gz OJSPRHUEPVJTMJ-UHFFFAOYSA-N 2 1 352.482 3.100 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCn1cc[nH+]c1C ZINC000299479650 499071902 /nfs/dbraw/zinc/07/19/02/499071902.db2.gz BULHBFIKJDIXPE-UHFFFAOYSA-N 2 1 357.889 3.496 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000366819494 499083922 /nfs/dbraw/zinc/08/39/22/499083922.db2.gz GJWQTZCTIFSQDU-WDSOQIARSA-N 2 1 357.523 3.256 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000284302147 499085088 /nfs/dbraw/zinc/08/50/88/499085088.db2.gz ZFOJZJKTNZAFQD-HSZRJFAPSA-N 2 1 371.569 3.228 20 0 FGADMP c1ccc(C[NH+]2CCCO[C@H](CN3CCC[N@@H+](C4CCCC4)CC3)C2)cc1 ZINC000284302147 499085093 /nfs/dbraw/zinc/08/50/93/499085093.db2.gz ZFOJZJKTNZAFQD-HSZRJFAPSA-N 2 1 371.569 3.228 20 0 FGADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)s2)cc1 ZINC000576338418 506134239 /nfs/dbraw/zinc/13/42/39/506134239.db2.gz NSUWPFXDLJITQJ-SUMWQHHRSA-N 2 1 361.511 3.156 20 0 FGADMP COc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1Cl ZINC000284463631 499111628 /nfs/dbraw/zinc/11/16/28/499111628.db2.gz TZXDTSCFPGKDDH-VHSSKADRSA-N 2 1 367.921 3.162 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372521185 499137940 /nfs/dbraw/zinc/13/79/40/499137940.db2.gz IMUPARCVQWQGIE-QRFRQXIXSA-N 2 1 352.482 3.033 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372521185 499137942 /nfs/dbraw/zinc/13/79/42/499137942.db2.gz IMUPARCVQWQGIE-QRFRQXIXSA-N 2 1 352.482 3.033 20 0 FGADMP COc1cccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1F ZINC000367079672 499145212 /nfs/dbraw/zinc/14/52/12/499145212.db2.gz WPBSDPAIQIJMBZ-UHFFFAOYSA-N 2 1 358.461 3.342 20 0 FGADMP COc1cccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1F ZINC000367079672 499145214 /nfs/dbraw/zinc/14/52/14/499145214.db2.gz WPBSDPAIQIJMBZ-UHFFFAOYSA-N 2 1 358.461 3.342 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)C12CCOCC2 ZINC000369898589 499147944 /nfs/dbraw/zinc/14/79/44/499147944.db2.gz SCPGNPIJNNSYSR-QXCFHYIPSA-N 2 1 364.555 3.305 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)C12CCOCC2 ZINC000369898589 499147946 /nfs/dbraw/zinc/14/79/46/499147946.db2.gz SCPGNPIJNNSYSR-QXCFHYIPSA-N 2 1 364.555 3.305 20 0 FGADMP CC(C)C[N@H+]1CCCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000369925748 499153072 /nfs/dbraw/zinc/15/30/72/499153072.db2.gz FTXJZXNCCFMSSK-UHFFFAOYSA-N 2 1 357.498 3.298 20 0 FGADMP COc1ccccc1[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199369 499160430 /nfs/dbraw/zinc/16/04/30/499160430.db2.gz JJSBDNGCNVMEGZ-MSOLQXFVSA-N 2 1 373.541 3.069 20 0 FGADMP C[N@@H+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367214073 499162662 /nfs/dbraw/zinc/16/26/62/499162662.db2.gz ZGOMPWYMQRUPNT-JWTNVVGKSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367214073 499162665 /nfs/dbraw/zinc/16/26/65/499162665.db2.gz ZGOMPWYMQRUPNT-JWTNVVGKSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](CC1CCN(C(=O)OC(C)(C)C)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367214073 499162667 /nfs/dbraw/zinc/16/26/67/499162667.db2.gz ZGOMPWYMQRUPNT-JWTNVVGKSA-N 2 1 351.535 3.191 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309532 499177999 /nfs/dbraw/zinc/17/79/99/499177999.db2.gz JMQJXNQTYUJAGD-KBXCAEBGSA-N 2 1 350.453 3.195 20 0 FGADMP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367308867 499178472 /nfs/dbraw/zinc/17/84/72/499178472.db2.gz FQGOTTXQZRPAFR-RDJZCZTQSA-N 2 1 367.497 3.389 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)[C@H](C)c1ccc(F)cc1 ZINC000370167803 499191336 /nfs/dbraw/zinc/19/13/36/499191336.db2.gz VAOIYOLKJKRDFU-NVXWUHKLSA-N 2 1 358.461 3.338 20 0 FGADMP CCN(C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)[C@H](C)c1ccc(F)cc1 ZINC000370167803 499191337 /nfs/dbraw/zinc/19/13/37/499191337.db2.gz VAOIYOLKJKRDFU-NVXWUHKLSA-N 2 1 358.461 3.338 20 0 FGADMP CN(C)C(=O)Sc1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000370252193 499202478 /nfs/dbraw/zinc/20/24/78/499202478.db2.gz PEXCBEGBOWTKLP-NEWSRXKRSA-N 2 1 359.539 3.376 20 0 FGADMP CCC[C@@H]1C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370262827 499203328 /nfs/dbraw/zinc/20/33/28/499203328.db2.gz YRJLTQPXVSXJOO-QUCCMNQESA-N 2 1 364.578 3.013 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000367620094 499218690 /nfs/dbraw/zinc/21/86/90/499218690.db2.gz PZYIAVMCNLAVFS-CNFALQKSSA-N 2 1 351.535 3.285 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccccc3-n3ccnn3)CC2)[nH+]1 ZINC000367621745 499218889 /nfs/dbraw/zinc/21/88/89/499218889.db2.gz SXPHXAFZMFPMRF-QGZVFWFLSA-N 2 1 362.481 3.290 20 0 FGADMP C[N@@H+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367700201 499226046 /nfs/dbraw/zinc/22/60/46/499226046.db2.gz BMUBNHBFXASZBZ-YUBNGQEKSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367700201 499226048 /nfs/dbraw/zinc/22/60/48/499226048.db2.gz BMUBNHBFXASZBZ-YUBNGQEKSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367700201 499226050 /nfs/dbraw/zinc/22/60/50/499226050.db2.gz BMUBNHBFXASZBZ-YUBNGQEKSA-N 2 1 351.535 3.191 20 0 FGADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@H+]4C3)cc2)CC1 ZINC000370586048 499233849 /nfs/dbraw/zinc/23/38/49/499233849.db2.gz ZXAGMCGYTNFKJK-UTKZUKDTSA-N 2 1 370.541 3.030 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000370619676 499236092 /nfs/dbraw/zinc/23/60/92/499236092.db2.gz DOUCQTWVCBOTAD-BBRMVZONSA-N 2 1 361.477 3.357 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000370619676 499236094 /nfs/dbraw/zinc/23/60/94/499236094.db2.gz DOUCQTWVCBOTAD-BBRMVZONSA-N 2 1 361.477 3.357 20 0 FGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1F ZINC000370623619 499236789 /nfs/dbraw/zinc/23/67/89/499236789.db2.gz AGKXGUCFPVMEGX-SZVBFZGTSA-N 2 1 350.478 3.203 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(Cc3cccs3)CC2)C[C@H](C)O1 ZINC000370645696 499239446 /nfs/dbraw/zinc/23/94/46/499239446.db2.gz LOZWHRXJMLBGJU-HDICACEKSA-N 2 1 365.587 3.192 20 0 FGADMP COc1ccccc1C[C@H](C)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370661545 499241294 /nfs/dbraw/zinc/24/12/94/499241294.db2.gz SUDMPOJXZMWPDA-IBGZPJMESA-N 3 1 373.585 3.412 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676627 499243278 /nfs/dbraw/zinc/24/32/78/499243278.db2.gz MOROMUSSFUTGSW-NJAFHUGGSA-N 2 1 363.933 3.293 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@@H](c4nccn4C)C3)o2)cc1 ZINC000570320083 506140945 /nfs/dbraw/zinc/14/09/45/506140945.db2.gz YNOUCHFJEJLTRW-QGZVFWFLSA-N 2 1 365.433 3.456 20 0 FGADMP COCCn1cc2c(n1)[C@@H](N[C@@H](C)c1ccc(-n3ccnc3)cc1)CCC2 ZINC000368187706 499272647 /nfs/dbraw/zinc/27/26/47/499272647.db2.gz HYNHNDSTXZFURX-JXFKEZNVSA-N 2 1 365.481 3.443 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000368247494 499277886 /nfs/dbraw/zinc/27/78/86/499277886.db2.gz ZXYQSBKGIRVFAE-YSFYHYPLSA-N 2 1 365.606 3.054 20 0 FGADMP FC(F)Cn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000368319277 499284945 /nfs/dbraw/zinc/28/49/45/499284945.db2.gz WEBZPDWQGDFRRT-IPMKNSEASA-N 2 1 360.452 3.148 20 0 FGADMP Cc1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000371093161 499287812 /nfs/dbraw/zinc/28/78/12/499287812.db2.gz JBRZEBRWPJTDSM-UHFFFAOYSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000371265775 499304049 /nfs/dbraw/zinc/30/40/49/499304049.db2.gz FESOKRXKTOMLFF-INIZCTEOSA-N 2 1 355.448 3.165 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000371265775 499304050 /nfs/dbraw/zinc/30/40/50/499304050.db2.gz FESOKRXKTOMLFF-INIZCTEOSA-N 2 1 355.448 3.165 20 0 FGADMP CCc1ccc2c(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc(=O)oc2c1 ZINC000371289069 499306255 /nfs/dbraw/zinc/30/62/55/499306255.db2.gz HLQJXUPKTFJOIQ-HFSMHLIXSA-N 2 1 370.493 3.039 20 0 FGADMP CCc1ccc2c(C[N@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc(=O)oc2c1 ZINC000371289069 499306256 /nfs/dbraw/zinc/30/62/56/499306256.db2.gz HLQJXUPKTFJOIQ-HFSMHLIXSA-N 2 1 370.493 3.039 20 0 FGADMP Cc1csc(NC(=O)C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000371326438 499310193 /nfs/dbraw/zinc/31/01/93/499310193.db2.gz NLNRQOILOJOUBQ-UHFFFAOYSA-N 2 1 361.515 3.087 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471821 499331554 /nfs/dbraw/zinc/33/15/54/499331554.db2.gz WYMSMWDUXMOGED-KBAYOESNSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OCC(F)F)cc1 ZINC000371471821 499331556 /nfs/dbraw/zinc/33/15/56/499331556.db2.gz WYMSMWDUXMOGED-KBAYOESNSA-N 2 1 354.441 3.014 20 0 FGADMP CCC1(CNC(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000371856240 499372052 /nfs/dbraw/zinc/37/20/52/499372052.db2.gz OYNBZVOZNOSYBV-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP COc1cccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1OC ZINC000371900408 499376605 /nfs/dbraw/zinc/37/66/05/499376605.db2.gz YFEKHCDDSHBAEY-UHFFFAOYSA-N 2 1 355.482 3.447 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000371985861 499387211 /nfs/dbraw/zinc/38/72/11/499387211.db2.gz WLPIAARBINHVOX-YNVMFWSZSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000371985861 499387213 /nfs/dbraw/zinc/38/72/13/499387213.db2.gz WLPIAARBINHVOX-YNVMFWSZSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000371985861 499387215 /nfs/dbraw/zinc/38/72/15/499387215.db2.gz WLPIAARBINHVOX-YNVMFWSZSA-N 2 1 362.514 3.244 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]2N2CCOCC2)cc1 ZINC000372060892 499394727 /nfs/dbraw/zinc/39/47/27/499394727.db2.gz MXWYJXHRRLAVTB-RBDMOPTHSA-N 2 1 368.525 3.332 20 0 FGADMP COc1c(CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)nn1C ZINC000372399724 499429233 /nfs/dbraw/zinc/42/92/33/499429233.db2.gz SSKZCIKEFSJAEJ-OXQOHEQNSA-N 2 1 356.514 3.080 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000369722823 499438921 /nfs/dbraw/zinc/43/89/21/499438921.db2.gz UBMSLMHVCLCZGL-UHFFFAOYSA-N 2 1 359.905 3.229 20 0 FGADMP O=C(c1ccoc1)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000369722857 499438995 /nfs/dbraw/zinc/43/89/95/499438995.db2.gz UKOGZRPBZWXFRN-FQEVSTJZSA-N 2 1 359.514 3.271 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000373205777 499457346 /nfs/dbraw/zinc/45/73/46/499457346.db2.gz WEIICBQYLGTISZ-LJQANCHMSA-N 2 1 372.557 3.341 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223239 499458396 /nfs/dbraw/zinc/45/83/96/499458396.db2.gz HKCACSISQRXIFL-MAUKXSAKSA-N 2 1 368.518 3.146 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000373258200 499460204 /nfs/dbraw/zinc/46/02/04/499460204.db2.gz GXWKUNUEFUKZMX-INIZCTEOSA-N 2 1 350.576 3.073 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355766 499506126 /nfs/dbraw/zinc/50/61/26/499506126.db2.gz PKXDUMXSUXXOHV-ICSRJNTNSA-N 2 1 355.526 3.012 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355766 499506128 /nfs/dbraw/zinc/50/61/28/499506128.db2.gz PKXDUMXSUXXOHV-ICSRJNTNSA-N 2 1 355.526 3.012 20 0 FGADMP Cc1csc(=O)n1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000378465157 499520203 /nfs/dbraw/zinc/52/02/03/499520203.db2.gz FSDGUSMDQXHJIB-CYBMUJFWSA-N 2 1 360.458 3.202 20 0 FGADMP O=C1[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1c1ccc(Cl)cc1Cl ZINC000375484779 499524528 /nfs/dbraw/zinc/52/45/28/499524528.db2.gz DHESSJJBNLBQMS-SQWLQELKSA-N 2 1 368.308 3.315 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@H](C)[N@H+](C)Cc3ccccc3)cc12 ZINC000379618575 499542194 /nfs/dbraw/zinc/54/21/94/499542194.db2.gz AIQODCZROBAIOM-INIZCTEOSA-N 2 1 351.498 3.277 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@H](C)[N@@H+](C)Cc3ccccc3)cc12 ZINC000379618575 499542195 /nfs/dbraw/zinc/54/21/95/499542195.db2.gz AIQODCZROBAIOM-INIZCTEOSA-N 2 1 351.498 3.277 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379668320 499542869 /nfs/dbraw/zinc/54/28/69/499542869.db2.gz DHAVUGNEMUMCSP-SFHVURJKSA-N 2 1 353.510 3.089 20 0 FGADMP COc1cc(C)nc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000389007187 499551706 /nfs/dbraw/zinc/55/17/06/499551706.db2.gz VZLBREKRXCXQEN-VQTJNVASSA-N 2 1 351.494 3.353 20 0 FGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)CCOCC2)cc1 ZINC000375847440 499561640 /nfs/dbraw/zinc/56/16/40/499561640.db2.gz AZMVETFYQXEDHG-PWRODBHTSA-N 2 1 358.526 3.206 20 0 FGADMP [NH3+]CC1CC[NH+](Cc2cc(Cl)ccc2I)CC1 ZINC000405552413 499571580 /nfs/dbraw/zinc/57/15/80/499571580.db2.gz ZLKIQVIDGRVRBZ-UHFFFAOYSA-N 2 1 364.658 3.115 20 0 FGADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163284 499587730 /nfs/dbraw/zinc/58/77/30/499587730.db2.gz AUUNSHCMRKVLQM-IEBWSBKVSA-N 2 1 372.557 3.293 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163284 499587732 /nfs/dbraw/zinc/58/77/32/499587732.db2.gz AUUNSHCMRKVLQM-IEBWSBKVSA-N 2 1 372.557 3.293 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296059 499598266 /nfs/dbraw/zinc/59/82/66/499598266.db2.gz LMXDLBDRUICIBK-OTWHNJEPSA-N 2 1 363.546 3.406 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000576409799 506151533 /nfs/dbraw/zinc/15/15/33/506151533.db2.gz CCMOLKYTJZSIDV-KRWDZBQOSA-N 2 1 371.516 3.124 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000376894942 499644173 /nfs/dbraw/zinc/64/41/73/499644173.db2.gz AGPADNOHELEXMJ-NLNFPOJYSA-N 2 1 358.461 3.418 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)c(F)c2)CC1 ZINC000376894944 499644279 /nfs/dbraw/zinc/64/42/79/499644279.db2.gz AGPADNOHELEXMJ-TZYSRNFLSA-N 2 1 358.461 3.418 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000377082905 499660103 /nfs/dbraw/zinc/66/01/03/499660103.db2.gz LRKNMRABGCHBAL-GOSISDBHSA-N 2 1 374.529 3.207 20 0 FGADMP CCc1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377269410 499675693 /nfs/dbraw/zinc/67/56/93/499675693.db2.gz XMMJGZHVBIMYMW-UHFFFAOYSA-N 3 1 364.603 3.334 20 0 FGADMP CCc1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000377269410 499675694 /nfs/dbraw/zinc/67/56/94/499675694.db2.gz XMMJGZHVBIMYMW-UHFFFAOYSA-N 3 1 364.603 3.334 20 0 FGADMP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000377462349 499693186 /nfs/dbraw/zinc/69/31/86/499693186.db2.gz DLWPWJRHEXWWJZ-YADHBBJMSA-N 2 1 367.537 3.126 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000377559466 499704542 /nfs/dbraw/zinc/70/45/42/499704542.db2.gz DEVUDLGIXLYRCI-GOSISDBHSA-N 2 1 359.445 3.165 20 0 FGADMP COc1ccc2oc(C[N@@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cc2c1 ZINC000377672571 499718236 /nfs/dbraw/zinc/71/82/36/499718236.db2.gz KXITYLLLXHPXKE-GOSISDBHSA-N 2 1 357.498 3.043 20 0 FGADMP COc1ccc2oc(C[N@H+]3CCCC[C@@H](N4CC[NH+](C)CC4)C3)cc2c1 ZINC000377672571 499718238 /nfs/dbraw/zinc/71/82/38/499718238.db2.gz KXITYLLLXHPXKE-GOSISDBHSA-N 2 1 357.498 3.043 20 0 FGADMP COc1cc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc(OC)c1O ZINC000377699966 499722127 /nfs/dbraw/zinc/72/21/27/499722127.db2.gz REQGUVHQLFHNTD-MRXNPFEDSA-N 2 1 360.498 3.106 20 0 FGADMP C[C@H](CC[NH+]1CC[C@@H]([C@@H]2CCOC2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399598 499734600 /nfs/dbraw/zinc/73/46/00/499734600.db2.gz RNTWLEGCNKTJKD-QMCAAQAGSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000411399598 499734602 /nfs/dbraw/zinc/73/46/02/499734602.db2.gz RNTWLEGCNKTJKD-QMCAAQAGSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000411399598 499734604 /nfs/dbraw/zinc/73/46/04/499734604.db2.gz RNTWLEGCNKTJKD-QMCAAQAGSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299579 499775291 /nfs/dbraw/zinc/77/52/91/499775291.db2.gz UHINCXIEHQXSPN-YYWHXJBOSA-N 2 1 356.485 3.402 20 0 FGADMP CC1CC[NH+](CCc2cccc(NCc3c[nH+]c(N(C)C)n3C)c2)CC1 ZINC000414360819 499780839 /nfs/dbraw/zinc/78/08/39/499780839.db2.gz ATOOYVRWWOQRCA-UHFFFAOYSA-N 2 1 355.530 3.373 20 0 FGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414662128 499818002 /nfs/dbraw/zinc/81/80/02/499818002.db2.gz YQJTVXDWAUVIPA-DGCLKSJQSA-N 2 1 356.310 3.339 20 0 FGADMP Cc1cccc(NCCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)[nH+]1 ZINC000412116447 499824757 /nfs/dbraw/zinc/82/47/57/499824757.db2.gz HOKAZZRPUUHJHB-UHFFFAOYSA-N 2 1 352.482 3.218 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747861 499826299 /nfs/dbraw/zinc/82/62/99/499826299.db2.gz NIFYZVBFJKASFH-CKEIUWERSA-N 2 1 353.304 3.211 20 0 FGADMP c1cc(COc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773212 499829358 /nfs/dbraw/zinc/82/93/58/499829358.db2.gz DDZLCMLOQIVSHG-LEWJYISDSA-N 2 1 351.494 3.482 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccncc3)cc2F)CC12CCOCC2 ZINC000414789731 499831437 /nfs/dbraw/zinc/83/14/37/499831437.db2.gz YPENBKIILMENFV-IBGZPJMESA-N 2 1 355.457 3.075 20 0 FGADMP COc1sc(C[NH2+]CCCNCc2cccnc2)cc1Br ZINC000414868429 499839467 /nfs/dbraw/zinc/83/94/67/499839467.db2.gz AMUOVPJDBQVINS-UHFFFAOYSA-N 2 1 370.316 3.184 20 0 FGADMP COc1sc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000414868429 499839469 /nfs/dbraw/zinc/83/94/69/499839469.db2.gz AMUOVPJDBQVINS-UHFFFAOYSA-N 2 1 370.316 3.184 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+]CC4([NH3+])CCC4)cc3)nc12 ZINC000414876095 499840363 /nfs/dbraw/zinc/84/03/63/499840363.db2.gz KURNUFFZIRCAFV-UHFFFAOYSA-N 2 1 350.466 3.193 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902461 499843338 /nfs/dbraw/zinc/84/33/38/499843338.db2.gz IEGBCEYAQJQHOX-MRXNPFEDSA-N 2 1 363.303 3.175 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415043097 499857643 /nfs/dbraw/zinc/85/76/43/499857643.db2.gz ADUQQRDYQKAMSK-KBXCAEBGSA-N 2 1 351.922 3.184 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN[C@@H](CCC[NH3+])c3ccccc3)sc2C1 ZINC000415048880 499857998 /nfs/dbraw/zinc/85/79/98/499857998.db2.gz GKOLJUTXGQURLU-KRWDZBQOSA-N 2 1 358.555 3.479 20 0 FGADMP Cc1cc(Br)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415056294 499859064 /nfs/dbraw/zinc/85/90/64/499859064.db2.gz PTWWYHQXBGLNRY-UHFFFAOYSA-N 2 1 372.376 3.125 20 0 FGADMP c1cc(-c2nc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cs2)cs1 ZINC000415060752 499859670 /nfs/dbraw/zinc/85/96/70/499859670.db2.gz XLJNPJMCGIITTF-UHFFFAOYSA-N 2 1 362.568 3.178 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415071752 499860455 /nfs/dbraw/zinc/86/04/55/499860455.db2.gz UQHUIJKPGQRKRH-KRWDZBQOSA-N 2 1 364.559 3.073 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000415072272 499861075 /nfs/dbraw/zinc/86/10/75/499861075.db2.gz VZGWKDPABQFTLZ-TZMCWYRMSA-N 2 1 359.392 3.034 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415086464 499861921 /nfs/dbraw/zinc/86/19/21/499861921.db2.gz JREGZEWUOBOJAY-ICSRJNTNSA-N 2 1 352.482 3.132 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000415111383 499865172 /nfs/dbraw/zinc/86/51/72/499865172.db2.gz QVBCNRDYINPVPA-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP O=C1CCCN1C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415129053 499867635 /nfs/dbraw/zinc/86/76/35/499867635.db2.gz YIKMHPXAKXVFON-DLBZAZTESA-N 2 1 369.431 3.101 20 0 FGADMP Cc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)sc1Br ZINC000415142731 499869841 /nfs/dbraw/zinc/86/98/41/499869841.db2.gz RQYPYYMREIZUPS-KGLIPLIRSA-N 2 1 371.344 3.019 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000415915993 499927994 /nfs/dbraw/zinc/92/79/94/499927994.db2.gz GOQKACRJMFLLQX-UHFFFAOYSA-N 2 1 366.509 3.364 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415962668 499934065 /nfs/dbraw/zinc/93/40/65/499934065.db2.gz UHKQYTPVYYLBTF-UHFFFAOYSA-N 2 1 369.391 3.223 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415971417 499935736 /nfs/dbraw/zinc/93/57/36/499935736.db2.gz MZLOYWAXYPFVKV-UHFFFAOYSA-N 2 1 369.391 3.271 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415973904 499935988 /nfs/dbraw/zinc/93/59/88/499935988.db2.gz POUGOMQLGREWRF-QGZVFWFLSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415973904 499935989 /nfs/dbraw/zinc/93/59/89/499935989.db2.gz POUGOMQLGREWRF-QGZVFWFLSA-N 2 1 352.482 3.144 20 0 FGADMP CC1(C)C[N@H+](C2(CNC(=O)Nc3ccc(C[NH3+])cc3)CCCCC2)CCO1 ZINC000415980623 499936930 /nfs/dbraw/zinc/93/69/30/499936930.db2.gz TTYOSJFEKWPAAP-UHFFFAOYSA-N 2 1 374.529 3.081 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984106 499937477 /nfs/dbraw/zinc/93/74/77/499937477.db2.gz OPUQBKZVZIPQPN-YLJYHZDGSA-N 2 1 366.509 3.438 20 0 FGADMP C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415993617 499938595 /nfs/dbraw/zinc/93/85/95/499938595.db2.gz FILDIPAKYVRYKO-QGZVFWFLSA-N 2 1 364.493 3.418 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415996079 499939026 /nfs/dbraw/zinc/93/90/26/499939026.db2.gz LYNIBBLNZXNYCT-IAGOWNOFSA-N 2 1 356.514 3.408 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000416004720 499940190 /nfs/dbraw/zinc/94/01/90/499940190.db2.gz HHPCGKWBDDIVHH-UHFFFAOYSA-N 2 1 368.456 3.169 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000416004720 499940191 /nfs/dbraw/zinc/94/01/91/499940191.db2.gz HHPCGKWBDDIVHH-UHFFFAOYSA-N 2 1 368.456 3.169 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000416146357 499958191 /nfs/dbraw/zinc/95/81/91/499958191.db2.gz UIXQIIXIEMRTHB-XQBPLPMBSA-N 2 1 369.553 3.299 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000416146357 499958194 /nfs/dbraw/zinc/95/81/94/499958194.db2.gz UIXQIIXIEMRTHB-XQBPLPMBSA-N 2 1 369.553 3.299 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)CC[N@H+]2CCc3ccccc3C2)C1 ZINC000416146357 499958198 /nfs/dbraw/zinc/95/81/98/499958198.db2.gz UIXQIIXIEMRTHB-XQBPLPMBSA-N 2 1 369.553 3.299 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000425014123 499994196 /nfs/dbraw/zinc/99/41/96/499994196.db2.gz SHMJAWYJGNNDGJ-FCHUYYIVSA-N 2 1 363.505 3.095 20 0 FGADMP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417215132 500007199 /nfs/dbraw/zinc/00/71/99/500007199.db2.gz HYKKSZXIZSWIFZ-FQEVSTJZSA-N 2 1 360.546 3.234 20 0 FGADMP COc1cc2[nH+]ccc(N3CCC[N@H+](C)CC3)c2cc1Br ZINC000425198264 500042226 /nfs/dbraw/zinc/04/22/26/500042226.db2.gz FAZFHOWUQQUIGW-UHFFFAOYSA-N 2 1 350.260 3.148 20 0 FGADMP COc1cc2[nH+]ccc(N3CCC[N@@H+](C)CC3)c2cc1Br ZINC000425198264 500042230 /nfs/dbraw/zinc/04/22/30/500042230.db2.gz FAZFHOWUQQUIGW-UHFFFAOYSA-N 2 1 350.260 3.148 20 0 FGADMP CC(C)c1cc(NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000425237227 500052317 /nfs/dbraw/zinc/05/23/17/500052317.db2.gz LCKZFZAFGBZGSF-INIZCTEOSA-N 2 1 368.529 3.120 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417388850 500057429 /nfs/dbraw/zinc/05/74/29/500057429.db2.gz WNAVUCKDDXZRJZ-QUCCMNQESA-N 2 1 360.542 3.054 20 0 FGADMP C[NH+](CC[C@@H]1CCCO1)Cc1cncc(C[N@@H+](C)CC[C@@H]2CCCO2)c1 ZINC000579435873 506173479 /nfs/dbraw/zinc/17/34/79/506173479.db2.gz KWBLWHMEGYEWST-SFTDATJTSA-N 2 1 361.530 3.083 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544553 500097958 /nfs/dbraw/zinc/09/79/58/500097958.db2.gz YQTGOIYIKJMVHB-CABCVRRESA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544553 500097961 /nfs/dbraw/zinc/09/79/61/500097961.db2.gz YQTGOIYIKJMVHB-CABCVRRESA-N 2 1 361.313 3.149 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463258 500112508 /nfs/dbraw/zinc/11/25/08/500112508.db2.gz VXUZQQYCWTVWQW-IBGZPJMESA-N 2 1 351.579 3.466 20 0 FGADMP C[C@@H]1C[NH+](CCC2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000429686531 500124101 /nfs/dbraw/zinc/12/41/01/500124101.db2.gz ZPPZNSFGOQLHSZ-NHCUHLMSSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[NH+](CCC2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C[C@@H](C)O1 ZINC000429686531 500124105 /nfs/dbraw/zinc/12/41/05/500124105.db2.gz ZPPZNSFGOQLHSZ-NHCUHLMSSA-N 2 1 373.585 3.330 20 0 FGADMP OCC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696699 500125189 /nfs/dbraw/zinc/12/51/89/500125189.db2.gz HCOSQYNQEFJHSW-YADHBBJMSA-N 2 1 360.542 3.198 20 0 FGADMP OCC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696699 500125193 /nfs/dbraw/zinc/12/51/93/500125193.db2.gz HCOSQYNQEFJHSW-YADHBBJMSA-N 2 1 360.542 3.198 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874315 500145077 /nfs/dbraw/zinc/14/50/77/500145077.db2.gz PIERSMKDQORVGZ-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccn(C)n1 ZINC000414094196 500152027 /nfs/dbraw/zinc/15/20/27/500152027.db2.gz GIMJCMJJLMTCAF-OTWHNJEPSA-N 2 1 370.541 3.280 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000416966944 500168804 /nfs/dbraw/zinc/16/88/04/500168804.db2.gz GAIJTGULSHUZNJ-NQIIRXRSSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C[C@@H]1C[NH3+] ZINC000416975495 500172938 /nfs/dbraw/zinc/17/29/38/500172938.db2.gz MVNXMUMIHQZPBB-LQWHRVPQSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000416977875 500173295 /nfs/dbraw/zinc/17/32/95/500173295.db2.gz QEHWFYBGJRHRRH-SFHVURJKSA-N 2 1 370.541 3.170 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)cc2)C1 ZINC000416993433 500178627 /nfs/dbraw/zinc/17/86/27/500178627.db2.gz QFYYOQQOODTBAJ-BMQTXXJKSA-N 2 1 372.557 3.104 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000417861000 500186630 /nfs/dbraw/zinc/18/66/30/500186630.db2.gz WUOIMSILQDOQOI-YJLNNSPDSA-N 2 1 355.486 3.058 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000417874417 500189281 /nfs/dbraw/zinc/18/92/81/500189281.db2.gz KDYHKPABIZCBKW-YLJYHZDGSA-N 2 1 360.546 3.235 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417887145 500192577 /nfs/dbraw/zinc/19/25/77/500192577.db2.gz WRGGXEHGVIIEEP-NHCUHLMSSA-N 2 1 372.557 3.060 20 0 FGADMP CC1=C[C@@H](C)C[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260970 500217412 /nfs/dbraw/zinc/21/74/12/500217412.db2.gz IBCSBPKRLNGMRH-IEBWSBKVSA-N 2 1 355.526 3.054 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000430373238 500232473 /nfs/dbraw/zinc/23/24/73/500232473.db2.gz DSVQPCLYMTWRTH-OALUTQOASA-N 2 1 372.557 3.436 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418148684 500237853 /nfs/dbraw/zinc/23/78/53/500237853.db2.gz ACQUOAWRGBBRAP-IHPCNDPISA-N 2 1 372.557 3.198 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418166072 500240434 /nfs/dbraw/zinc/24/04/34/500240434.db2.gz YWFVYJCAIZVTTM-IEBWSBKVSA-N 2 1 360.546 3.104 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418348042 500266355 /nfs/dbraw/zinc/26/63/55/500266355.db2.gz QYDAMKDHVANDLZ-AZUAARDMSA-N 2 1 366.594 3.164 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC2CCC([NH3+])CC2)CC1)CC(C)C ZINC000418385026 500270691 /nfs/dbraw/zinc/27/06/91/500270691.db2.gz LAACZQMLIZACMH-UHFFFAOYSA-N 2 1 352.567 3.046 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418488875 500282681 /nfs/dbraw/zinc/28/26/81/500282681.db2.gz KYIREYFDWVHAGK-UTKZUKDTSA-N 2 1 366.509 3.122 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422641704 500285250 /nfs/dbraw/zinc/28/52/50/500285250.db2.gz YJGROVDEOUUXSG-VKRLORBYSA-N 2 1 373.541 3.054 20 0 FGADMP CCOc1ccc([C@@H]2CCCN2C(=O)C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422641704 500285252 /nfs/dbraw/zinc/28/52/52/500285252.db2.gz YJGROVDEOUUXSG-VKRLORBYSA-N 2 1 373.541 3.054 20 0 FGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1OCC(=O)N1CCCC1 ZINC000422699649 500287242 /nfs/dbraw/zinc/28/72/42/500287242.db2.gz AWQWXRANMAMBCH-WMWLNJEOSA-N 2 1 371.525 3.012 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2Br)C1)c1c[nH+]ccc1N ZINC000422715223 500289625 /nfs/dbraw/zinc/28/96/25/500289625.db2.gz RTNYIUOSQCAMML-QWHCGFSZSA-N 2 1 361.287 3.186 20 0 FGADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422720415 500289720 /nfs/dbraw/zinc/28/97/20/500289720.db2.gz ZKSHFBICUSPPRT-XPWALMASSA-N 2 1 371.569 3.309 20 0 FGADMP C[NH+](C)CCCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422720934 500290067 /nfs/dbraw/zinc/29/00/67/500290067.db2.gz UFZCABQTIHDNFG-BHIFYINESA-N 2 1 359.558 3.418 20 0 FGADMP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422734524 500291773 /nfs/dbraw/zinc/29/17/73/500291773.db2.gz TYSFNTAMXZZPDZ-RXVVDRJESA-N 2 1 359.558 3.308 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422758145 500294268 /nfs/dbraw/zinc/29/42/68/500294268.db2.gz NOLMECKWILWVEQ-YSFYHYPLSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771239 500295790 /nfs/dbraw/zinc/29/57/90/500295790.db2.gz XFUGYHHDQVVLAZ-SFGWALBWSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771239 500295791 /nfs/dbraw/zinc/29/57/91/500295791.db2.gz XFUGYHHDQVVLAZ-SFGWALBWSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cc(C(F)(F)F)ccc1N1CCN(C)CC1 ZINC000422781288 500296740 /nfs/dbraw/zinc/29/67/40/500296740.db2.gz LKVCOGYYVBNSPF-HNNXBMFYSA-N 2 1 372.479 3.064 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418627533 500297785 /nfs/dbraw/zinc/29/77/85/500297785.db2.gz UTDKLMLWZKSZMM-OAQYLSRUSA-N 2 1 372.557 3.058 20 0 FGADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC(F)F ZINC000422805118 500300430 /nfs/dbraw/zinc/30/04/30/500300430.db2.gz GHBOXCKAIKGUIA-CZUORRHYSA-N 2 1 350.409 3.345 20 0 FGADMP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000422820314 500301809 /nfs/dbraw/zinc/30/18/09/500301809.db2.gz PXEMRNALSKGRFO-KNQAVFIVSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422820314 500301812 /nfs/dbraw/zinc/30/18/12/500301812.db2.gz PXEMRNALSKGRFO-KNQAVFIVSA-N 2 1 359.558 3.178 20 0 FGADMP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422835860 500304296 /nfs/dbraw/zinc/30/42/96/500304296.db2.gz JGCRGHRNLVAUAC-UNMCSNQZSA-N 3 1 355.526 3.239 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855412 500305826 /nfs/dbraw/zinc/30/58/26/500305826.db2.gz DUCUYGADZJMHNB-HGSOSGBHSA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855412 500305828 /nfs/dbraw/zinc/30/58/28/500305828.db2.gz DUCUYGADZJMHNB-HGSOSGBHSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000422855412 500305831 /nfs/dbraw/zinc/30/58/31/500305831.db2.gz DUCUYGADZJMHNB-HGSOSGBHSA-N 2 1 371.569 3.165 20 0 FGADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430920472 500307175 /nfs/dbraw/zinc/30/71/75/500307175.db2.gz PDCNVFHGKNYKQY-OAHLLOKOSA-N 2 1 364.559 3.129 20 0 FGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908703 500314953 /nfs/dbraw/zinc/31/49/53/500314953.db2.gz ZAOIXOMJJREDEG-WMZHIEFXSA-N 2 1 351.538 3.447 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909977 500315224 /nfs/dbraw/zinc/31/52/24/500315224.db2.gz HCDWNEMSSHTUQA-CVDCTZTESA-N 3 1 367.537 3.209 20 0 FGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909977 500315228 /nfs/dbraw/zinc/31/52/28/500315228.db2.gz HCDWNEMSSHTUQA-CVDCTZTESA-N 2 1 367.537 3.209 20 0 FGADMP COc1ccc([C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422997313 500329347 /nfs/dbraw/zinc/32/93/47/500329347.db2.gz NMFBDCRYGDUACZ-COPCDDAFSA-N 2 1 359.558 3.446 20 0 FGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423011014 500330754 /nfs/dbraw/zinc/33/07/54/500330754.db2.gz HYFKBHKNSALXIQ-RCCFBDPRSA-N 2 1 352.906 3.028 20 0 FGADMP CCCN(Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000431079127 500332850 /nfs/dbraw/zinc/33/28/50/500332850.db2.gz IKQMHTFVUYHVHO-GOSISDBHSA-N 2 1 371.529 3.140 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)nc12 ZINC000423038252 500333987 /nfs/dbraw/zinc/33/39/87/500333987.db2.gz ODMQMOLOUISWOD-CJNGLKHVSA-N 2 1 365.319 3.068 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)ccc1OCC[NH+]1CCCC1 ZINC000426891916 500334146 /nfs/dbraw/zinc/33/41/46/500334146.db2.gz SBMUUGOYESQSNP-IBGZPJMESA-N 2 1 357.498 3.035 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Cl)cc1I ZINC000423086604 500340679 /nfs/dbraw/zinc/34/06/79/500340679.db2.gz MHFRPYHREDLSJY-IUCAKERBSA-N 2 1 352.647 3.160 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1OC ZINC000423146525 500348665 /nfs/dbraw/zinc/34/86/65/500348665.db2.gz ARLNKSWUABMCDE-WBVHZDCISA-N 2 1 350.503 3.155 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423180199 500351663 /nfs/dbraw/zinc/35/16/63/500351663.db2.gz KHWVUOGDYVVRRU-GNJRFXKQSA-N 2 1 371.569 3.034 20 0 FGADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423180199 500351668 /nfs/dbraw/zinc/35/16/68/500351668.db2.gz KHWVUOGDYVVRRU-GNJRFXKQSA-N 2 1 371.569 3.034 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CC[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000423222306 500356246 /nfs/dbraw/zinc/35/62/46/500356246.db2.gz AOMXWARQCQBZMQ-JXFKEZNVSA-N 2 1 360.523 3.123 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427124864 500356745 /nfs/dbraw/zinc/35/67/45/500356745.db2.gz WWJCFAKQMJCDSG-RXVVDRJESA-N 2 1 365.477 3.131 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427124864 500356748 /nfs/dbraw/zinc/35/67/48/500356748.db2.gz WWJCFAKQMJCDSG-RXVVDRJESA-N 2 1 365.477 3.131 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427197394 500365708 /nfs/dbraw/zinc/36/57/08/500365708.db2.gz CPNOXWGZCBBILI-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000427215675 500368791 /nfs/dbraw/zinc/36/87/91/500368791.db2.gz CBNQHCCHSSTNCS-HDICACEKSA-N 2 1 359.514 3.363 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(NCc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423389722 500369611 /nfs/dbraw/zinc/36/96/11/500369611.db2.gz OFDGMWZEFLHNOR-UHFFFAOYSA-N 2 1 353.485 3.226 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423389722 500369613 /nfs/dbraw/zinc/36/96/13/500369613.db2.gz OFDGMWZEFLHNOR-UHFFFAOYSA-N 3 1 353.485 3.226 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)c2)C[C@@H](C)O1 ZINC000423410442 500371890 /nfs/dbraw/zinc/37/18/90/500371890.db2.gz CXMBGAJVEPIPFF-MDZRGWNJSA-N 2 1 359.514 3.013 20 0 FGADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423495261 500379179 /nfs/dbraw/zinc/37/91/79/500379179.db2.gz UFQATZCSBUHTKD-KFNAQCHYSA-N 2 1 371.344 3.200 20 0 FGADMP CSc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000423519753 500381934 /nfs/dbraw/zinc/38/19/34/500381934.db2.gz QLIXQUYPFMJFDV-ODIFPOPNSA-N 2 1 351.535 3.415 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@@H]3C2)cc1 ZINC000423525584 500382463 /nfs/dbraw/zinc/38/24/63/500382463.db2.gz KLWUUYBXMPDMDZ-QJUOVVKFSA-N 2 1 361.533 3.242 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1NC(C)=O ZINC000423524724 500382508 /nfs/dbraw/zinc/38/25/08/500382508.db2.gz JYIQPZJZPCUFGD-ZBPWAZPJSA-N 2 1 371.525 3.458 20 0 FGADMP CN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000423598289 500387457 /nfs/dbraw/zinc/38/74/57/500387457.db2.gz PDAZTVQBXYJUAW-QZTJIDSGSA-N 2 1 358.530 3.094 20 0 FGADMP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423621194 500390212 /nfs/dbraw/zinc/39/02/12/500390212.db2.gz XLEGTLHFAURPES-FUHWJXTLSA-N 2 1 358.530 3.081 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCCCCn1cc[nH+]c1C ZINC000431667635 500405743 /nfs/dbraw/zinc/40/57/43/500405743.db2.gz PJMDBQOBMZODMF-OALUTQOASA-N 2 1 363.550 3.172 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896102 500416795 /nfs/dbraw/zinc/41/67/95/500416795.db2.gz GHHUUFUGLLYGIC-WOJBJXKFSA-N 2 1 357.542 3.265 20 0 FGADMP C[NH+](C)Cc1nc2scc(-c3ccccc3)c2c(N2CCC[C@@H]([NH3+])C2)n1 ZINC000420123784 500421435 /nfs/dbraw/zinc/42/14/35/500421435.db2.gz RBBQNIORAKPSJY-OAHLLOKOSA-N 2 1 367.522 3.347 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957645 500424274 /nfs/dbraw/zinc/42/42/74/500424274.db2.gz AULNIBMPEGENIA-FPOVZHCZSA-N 2 1 355.526 3.275 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H](C)C[C@@H]3C[NH3+])c2c1C ZINC000420268780 500431155 /nfs/dbraw/zinc/43/11/55/500431155.db2.gz ZLCUVKKMQBLASR-CZUORRHYSA-N 2 1 373.570 3.468 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH3+])CC2)c(C)n1CCc1cccs1 ZINC000420276507 500432289 /nfs/dbraw/zinc/43/22/89/500432289.db2.gz RTYWXVUFMJEOCY-UHFFFAOYSA-N 2 1 359.539 3.263 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000431862021 500435729 /nfs/dbraw/zinc/43/57/29/500435729.db2.gz WQJMWMCVOYOYGJ-OKZBNKHCSA-N 2 1 364.534 3.082 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000420296607 500436100 /nfs/dbraw/zinc/43/61/00/500436100.db2.gz XGABAMFFUSTWGX-WBMJQRKESA-N 2 1 361.287 3.075 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@@H]1[NH3+] ZINC000420296607 500436102 /nfs/dbraw/zinc/43/61/02/500436102.db2.gz XGABAMFFUSTWGX-WBMJQRKESA-N 2 1 361.287 3.075 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000573442791 506195368 /nfs/dbraw/zinc/19/53/68/506195368.db2.gz QNXPHPFTOOTCHP-GXRSIYKFSA-N 2 1 369.553 3.407 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299027 500436588 /nfs/dbraw/zinc/43/65/88/500436588.db2.gz GBZSHIGFUHZCIZ-MRXNPFEDSA-N 2 1 350.409 3.471 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297891 500436663 /nfs/dbraw/zinc/43/66/63/500436663.db2.gz DUCKEQGCTSGLCD-ICSRJNTNSA-N 2 1 368.477 3.346 20 0 FGADMP Cc1c2ccccc2sc1C(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420312429 500438967 /nfs/dbraw/zinc/43/89/67/500438967.db2.gz WYYZKMNCOWRITH-KRWDZBQOSA-N 2 1 371.550 3.357 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309832 500439294 /nfs/dbraw/zinc/43/92/94/500439294.db2.gz FIVXDVYLNHVTOB-QWHCGFSZSA-N 2 1 361.287 3.075 20 0 FGADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420312480 500439362 /nfs/dbraw/zinc/43/93/62/500439362.db2.gz HTEXRLCJQGBVFQ-GOSISDBHSA-N 2 1 359.562 3.199 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000420320992 500440660 /nfs/dbraw/zinc/44/06/60/500440660.db2.gz UYIAYFDVORRSJT-RLLQIKCJSA-N 2 1 351.494 3.305 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000420320992 500440662 /nfs/dbraw/zinc/44/06/62/500440662.db2.gz UYIAYFDVORRSJT-RLLQIKCJSA-N 2 1 351.494 3.305 20 0 FGADMP C[C@@H](c1cccc(Br)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328397 500442724 /nfs/dbraw/zinc/44/27/24/500442724.db2.gz MJHTXSGDJJKYEW-ZFWWWQNUSA-N 2 1 353.304 3.197 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000427884790 500442880 /nfs/dbraw/zinc/44/28/80/500442880.db2.gz HEESBUKEVJTIPN-WOZUAGRISA-N 2 1 350.510 3.088 20 0 FGADMP COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC[C@@H]1CC[NH2+]C1 ZINC000420358542 500446843 /nfs/dbraw/zinc/44/68/43/500446843.db2.gz JKPSPCHQZYAXNL-ZDUSSCGKSA-N 2 1 359.297 3.011 20 0 FGADMP COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)CC[C@@H]1CC[NH2+]C1 ZINC000420358542 500446845 /nfs/dbraw/zinc/44/68/45/500446845.db2.gz JKPSPCHQZYAXNL-ZDUSSCGKSA-N 2 1 359.297 3.011 20 0 FGADMP CC(C)(C)C[C@@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000420355953 500447004 /nfs/dbraw/zinc/44/70/04/500447004.db2.gz FTQOTAWPQQKEGU-MSOLQXFVSA-N 2 1 363.521 3.397 20 0 FGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420363533 500447619 /nfs/dbraw/zinc/44/76/19/500447619.db2.gz NYPHLNAFVXVIMS-MJGOQNOKSA-N 2 1 359.539 3.307 20 0 FGADMP Cc1ccc(S(=O)(=O)c2ccc(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)cc2)cc1 ZINC000420363440 500447972 /nfs/dbraw/zinc/44/79/72/500447972.db2.gz NVBUONZIILHARD-HXUWFJFHSA-N 2 1 372.534 3.306 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369692 500449438 /nfs/dbraw/zinc/44/94/38/500449438.db2.gz BYYTZJORPQONHM-RISCZKNCSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420369692 500449440 /nfs/dbraw/zinc/44/94/40/500449440.db2.gz BYYTZJORPQONHM-RISCZKNCSA-N 2 1 354.285 3.442 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000420370281 500449611 /nfs/dbraw/zinc/44/96/11/500449611.db2.gz CMBBJVXTKPQVGS-ZDUSSCGKSA-N 2 1 361.902 3.442 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2Cn2cnc3ccccc32)cc1 ZINC000420373707 500450207 /nfs/dbraw/zinc/45/02/07/500450207.db2.gz MXYKRJNDFRPDFU-MOPGFXCFSA-N 2 1 364.493 3.252 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408234 500456695 /nfs/dbraw/zinc/45/66/95/500456695.db2.gz VWUJFIRJYDZWIE-DYVFJYSZSA-N 2 1 353.869 3.272 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406923 500456814 /nfs/dbraw/zinc/45/68/14/500456814.db2.gz UUOBUYUUUYFADX-RHSMWYFYSA-N 2 1 369.431 3.498 20 0 FGADMP CC(C)n1cncc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000424130195 500458341 /nfs/dbraw/zinc/45/83/41/500458341.db2.gz HCBKOVMLHCYOHO-HDICACEKSA-N 2 1 356.514 3.363 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424260744 500477161 /nfs/dbraw/zinc/47/71/61/500477161.db2.gz DLYCDCSOYMZGMZ-INIZCTEOSA-N 2 1 353.938 3.417 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccnc(-c4ccccc4)n3)CC2)CC1 ZINC000420621061 500478827 /nfs/dbraw/zinc/47/88/27/500478827.db2.gz CNGGRFMVAUQQBQ-UHFFFAOYSA-N 2 1 365.525 3.140 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(c3ccnc(-c4ccccc4)n3)CC2)CC1 ZINC000420621061 500478829 /nfs/dbraw/zinc/47/88/29/500478829.db2.gz CNGGRFMVAUQQBQ-UHFFFAOYSA-N 2 1 365.525 3.140 20 0 FGADMP CCc1cc2c(ncnc2N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000420619780 500478981 /nfs/dbraw/zinc/47/89/81/500478981.db2.gz ATNAKGRTNROQJM-UHFFFAOYSA-N 2 1 373.570 3.250 20 0 FGADMP CCc1cc2c(ncnc2N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)s1 ZINC000420619780 500478983 /nfs/dbraw/zinc/47/89/83/500478983.db2.gz ATNAKGRTNROQJM-UHFFFAOYSA-N 2 1 373.570 3.250 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)c(Cl)c1)CC[NH2+]CC2 ZINC000424301614 500483010 /nfs/dbraw/zinc/48/30/10/500483010.db2.gz XWEGPUCUSZMECI-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)[C@@H](C)c1ccc(F)cc1 ZINC000424296845 500483059 /nfs/dbraw/zinc/48/30/59/500483059.db2.gz SJBMSTRCAKDXRP-IRXDYDNUSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424297445 500483089 /nfs/dbraw/zinc/48/30/89/500483089.db2.gz SRRDUXQSDAJOGB-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1Cl)CC[NH2+]CC2 ZINC000424297445 500483090 /nfs/dbraw/zinc/48/30/90/500483090.db2.gz SRRDUXQSDAJOGB-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)[C@H](C)c1ccc(F)cc1 ZINC000424296841 500483297 /nfs/dbraw/zinc/48/32/97/500483297.db2.gz SJBMSTRCAKDXRP-IAGOWNOFSA-N 2 1 361.505 3.199 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1O ZINC000424372944 500493227 /nfs/dbraw/zinc/49/32/27/500493227.db2.gz GCOFDMVHYZAMMN-LBPRGKRZSA-N 2 1 369.303 3.127 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000420775073 500498076 /nfs/dbraw/zinc/49/80/76/500498076.db2.gz BLOZZZPVGSCIEH-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OCC ZINC000432345579 500502041 /nfs/dbraw/zinc/50/20/41/500502041.db2.gz GMCLSAJRXATZRD-QGZVFWFLSA-N 2 1 350.503 3.075 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1Br ZINC000432357433 500504157 /nfs/dbraw/zinc/50/41/57/500504157.db2.gz MAZMQQNLBWNFJT-HNNXBMFYSA-N 2 1 355.320 3.348 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)c2)CC1 ZINC000420811007 500507337 /nfs/dbraw/zinc/50/73/37/500507337.db2.gz YZSHBKFMJTWDOZ-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP COc1ccc([C@@H](C)C[N@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424769 500508620 /nfs/dbraw/zinc/50/86/20/500508620.db2.gz SLJJLFQFULEYJK-WMZHIEFXSA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@@H](C)C[N@@H+](C)C[C@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424769 500508622 /nfs/dbraw/zinc/50/86/22/500508622.db2.gz SLJJLFQFULEYJK-WMZHIEFXSA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@@H](C)C[NH+](C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428424769 500508625 /nfs/dbraw/zinc/50/86/25/500508625.db2.gz SLJJLFQFULEYJK-WMZHIEFXSA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@@H](C)C[NH+](C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428424769 500508627 /nfs/dbraw/zinc/50/86/27/500508627.db2.gz SLJJLFQFULEYJK-WMZHIEFXSA-N 2 1 368.521 3.368 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417941 500513962 /nfs/dbraw/zinc/51/39/62/500513962.db2.gz PILWFOUPBKQGQS-HOTGVXAUSA-N 2 1 359.514 3.068 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417941 500513965 /nfs/dbraw/zinc/51/39/65/500513965.db2.gz PILWFOUPBKQGQS-HOTGVXAUSA-N 2 1 359.514 3.068 20 0 FGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425106 500514684 /nfs/dbraw/zinc/51/46/84/500514684.db2.gz LBGFXSFZKZABIV-SJLPKXTDSA-N 2 1 350.503 3.245 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000428548690 500525226 /nfs/dbraw/zinc/52/52/26/500525226.db2.gz RDBNTFSFYJHXKN-OAQYLSRUSA-N 2 1 351.494 3.272 20 0 FGADMP CC(C)(O)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420930421 500533581 /nfs/dbraw/zinc/53/35/81/500533581.db2.gz FKPHHOVTCUIJDS-UHFFFAOYSA-N 2 1 368.521 3.292 20 0 FGADMP CC(C)(O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420930421 500533583 /nfs/dbraw/zinc/53/35/83/500533583.db2.gz FKPHHOVTCUIJDS-UHFFFAOYSA-N 2 1 368.521 3.292 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420941624 500537058 /nfs/dbraw/zinc/53/70/58/500537058.db2.gz TWNQTMDYPGZBKE-TXTKFYIRSA-N 2 1 371.569 3.356 20 0 FGADMP CCCN(CCC)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432666405 500545860 /nfs/dbraw/zinc/54/58/60/500545860.db2.gz DXBDAPYRVYRXBW-GOSISDBHSA-N 2 1 363.571 3.341 20 0 FGADMP CCCN(CCC)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000432666405 500545863 /nfs/dbraw/zinc/54/58/63/500545863.db2.gz DXBDAPYRVYRXBW-GOSISDBHSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21)C1=CC[N@@H+](C)CC1 ZINC000576631493 506202297 /nfs/dbraw/zinc/20/22/97/506202297.db2.gz OFSWESOYJSSXRJ-MJGOQNOKSA-N 2 1 363.505 3.395 20 0 FGADMP Cc1ccc(NC(=O)CCN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346807 500594396 /nfs/dbraw/zinc/59/43/96/500594396.db2.gz HCZQFGZRXAWEOU-MOPGFXCFSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346807 500594400 /nfs/dbraw/zinc/59/44/00/500594400.db2.gz HCZQFGZRXAWEOU-MOPGFXCFSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nc1 ZINC000447346807 500594404 /nfs/dbraw/zinc/59/44/04/500594404.db2.gz HCZQFGZRXAWEOU-MOPGFXCFSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000447346807 500594405 /nfs/dbraw/zinc/59/44/05/500594405.db2.gz HCZQFGZRXAWEOU-MOPGFXCFSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)nc1 ZINC000447346807 500594409 /nfs/dbraw/zinc/59/44/09/500594409.db2.gz HCZQFGZRXAWEOU-MOPGFXCFSA-N 2 1 358.530 3.305 20 0 FGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000447406895 500601894 /nfs/dbraw/zinc/60/18/94/500601894.db2.gz XSUXBZRIIQSORV-KNQAVFIVSA-N 2 1 367.537 3.277 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801399 500627530 /nfs/dbraw/zinc/62/75/30/500627530.db2.gz OMSZRBDQTAHAHV-GCJKJVERSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801399 500627536 /nfs/dbraw/zinc/62/75/36/500627536.db2.gz OMSZRBDQTAHAHV-GCJKJVERSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccnn1C ZINC000447589271 500630652 /nfs/dbraw/zinc/63/06/52/500630652.db2.gz XIXVMNODWNUMMO-CEXWTWQISA-N 2 1 370.541 3.280 20 0 FGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442876582 500637560 /nfs/dbraw/zinc/63/75/60/500637560.db2.gz RVIOUULHWJERMT-OAHLLOKOSA-N 2 1 357.464 3.252 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1(C)C ZINC000442876971 500638445 /nfs/dbraw/zinc/63/84/45/500638445.db2.gz QFSZRCQEOBFMCL-KRWDZBQOSA-N 2 1 366.347 3.052 20 0 FGADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000433179038 500639873 /nfs/dbraw/zinc/63/98/73/500639873.db2.gz XHPJWDMLBVBBFF-RTBURBONSA-N 2 1 371.550 3.195 20 0 FGADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000433179038 500639876 /nfs/dbraw/zinc/63/98/76/500639876.db2.gz XHPJWDMLBVBBFF-RTBURBONSA-N 2 1 371.550 3.195 20 0 FGADMP C[C@H]1CCN(C(=O)CN(C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000437480001 500648808 /nfs/dbraw/zinc/64/88/08/500648808.db2.gz FFTPCFCJPAHFNH-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000437480001 500648814 /nfs/dbraw/zinc/64/88/14/500648814.db2.gz FFTPCFCJPAHFNH-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000437480001 500648818 /nfs/dbraw/zinc/64/88/18/500648818.db2.gz FFTPCFCJPAHFNH-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000437480001 500648826 /nfs/dbraw/zinc/64/88/26/500648826.db2.gz FFTPCFCJPAHFNH-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000443058241 500670312 /nfs/dbraw/zinc/67/03/12/500670312.db2.gz JVPBFVOYOIAZMC-OXJNMPFZSA-N 2 1 357.523 3.015 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000443061107 500671105 /nfs/dbraw/zinc/67/11/05/500671105.db2.gz QXVNJSPYTLGHDH-QGZVFWFLSA-N 2 1 353.466 3.478 20 0 FGADMP CN(C(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)C(c1ccccc1)c1ccccc1 ZINC000443064485 500672522 /nfs/dbraw/zinc/67/25/22/500672522.db2.gz YIOFJUNTZBKWHS-IBGZPJMESA-N 2 1 365.521 3.295 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443068987 500673906 /nfs/dbraw/zinc/67/39/06/500673906.db2.gz JCZYCQUZCPRHJL-KSZLIROESA-N 2 1 353.510 3.466 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079602 500676223 /nfs/dbraw/zinc/67/62/23/500676223.db2.gz ZMWRCDKEIHYBCM-STQMWFEESA-N 2 1 358.313 3.231 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000443125107 500684000 /nfs/dbraw/zinc/68/40/00/500684000.db2.gz DCYQDVCLIVSOOD-NFBKMPQASA-N 2 1 369.553 3.137 20 0 FGADMP CN(c1ccccc1CNC[C@@H]1[N@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000447900368 500688730 /nfs/dbraw/zinc/68/87/30/500688730.db2.gz BQPDKHNTYPRTQD-QFIPXVFZSA-N 2 1 372.601 3.427 20 0 FGADMP CN(c1ccccc1CNC[C@@H]1[N@@H+](C)CCCC1(C)C)C1CC[NH+](C)CC1 ZINC000447900368 500688733 /nfs/dbraw/zinc/68/87/33/500688733.db2.gz BQPDKHNTYPRTQD-QFIPXVFZSA-N 2 1 372.601 3.427 20 0 FGADMP COc1cc(-c2noc(C[N@@H+]3[C@H](C)CC[C@@H]3C)n2)ccc1OCC[NH+](C)C ZINC000443190364 500694443 /nfs/dbraw/zinc/69/44/43/500694443.db2.gz BHLCHMKGTIZGMW-GASCZTMLSA-N 2 1 374.485 3.058 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564523 500713229 /nfs/dbraw/zinc/71/32/29/500713229.db2.gz PXPGBGNGQXIQSN-LEWJYISDSA-N 2 1 370.541 3.140 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000433567997 500713758 /nfs/dbraw/zinc/71/37/58/500713758.db2.gz KBKBNRZABGUDDW-NSHGMRRFSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000433567997 500713760 /nfs/dbraw/zinc/71/37/60/500713760.db2.gz KBKBNRZABGUDDW-NSHGMRRFSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433567997 500713762 /nfs/dbraw/zinc/71/37/62/500713762.db2.gz KBKBNRZABGUDDW-NSHGMRRFSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443681575 500755782 /nfs/dbraw/zinc/75/57/82/500755782.db2.gz KJNYXWMWJNWBQG-SFHVURJKSA-N 2 1 366.594 3.260 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433940157 500768325 /nfs/dbraw/zinc/76/83/25/500768325.db2.gz JZQDZAVSKMWICD-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C[C@@H]1C ZINC000438328863 500770649 /nfs/dbraw/zinc/77/06/49/500770649.db2.gz UNDIWTDWVSRLQW-YSIASYRMSA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1C ZINC000438328863 500770651 /nfs/dbraw/zinc/77/06/51/500770651.db2.gz UNDIWTDWVSRLQW-YSIASYRMSA-N 2 1 364.578 3.298 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C[C@@H]1C ZINC000438328863 500770654 /nfs/dbraw/zinc/77/06/54/500770654.db2.gz UNDIWTDWVSRLQW-YSIASYRMSA-N 2 1 364.578 3.298 20 0 FGADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000570727692 506215478 /nfs/dbraw/zinc/21/54/78/506215478.db2.gz FYBWMLCAEGCQHX-HNNXBMFYSA-N 2 1 357.420 3.103 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000443961668 500784596 /nfs/dbraw/zinc/78/45/96/500784596.db2.gz PUJXDKOGXMTMJG-UHFFFAOYSA-N 2 1 359.417 3.392 20 0 FGADMP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438577287 500804196 /nfs/dbraw/zinc/80/41/96/500804196.db2.gz ROWVIXLZTIVDIB-MSOLQXFVSA-N 2 1 361.555 3.408 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438886174 500831335 /nfs/dbraw/zinc/83/13/35/500831335.db2.gz MGJKCBMYMGUAKS-APWZRJJASA-N 2 1 370.541 3.055 20 0 FGADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)[N@@H+]1CCc2ccccc2C1 ZINC000439026251 500848889 /nfs/dbraw/zinc/84/88/89/500848889.db2.gz LHILHEBEPYOTMV-QGZVFWFLSA-N 2 1 371.550 3.085 20 0 FGADMP C[C@H](C(=O)N(CC[NH+](C)C)Cc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000439026251 500848892 /nfs/dbraw/zinc/84/88/92/500848892.db2.gz LHILHEBEPYOTMV-QGZVFWFLSA-N 2 1 371.550 3.085 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000444624513 500868619 /nfs/dbraw/zinc/86/86/19/500868619.db2.gz MDYFAJDZDVWDDL-UHFFFAOYSA-N 2 1 371.569 3.058 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000439215962 500870711 /nfs/dbraw/zinc/87/07/11/500870711.db2.gz NUFWADJQUXYYQM-KCLUMXDGSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000439215962 500870713 /nfs/dbraw/zinc/87/07/13/500870713.db2.gz NUFWADJQUXYYQM-KCLUMXDGSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000439215962 500870714 /nfs/dbraw/zinc/87/07/14/500870714.db2.gz NUFWADJQUXYYQM-KCLUMXDGSA-N 2 1 370.541 3.090 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044749 500909855 /nfs/dbraw/zinc/90/98/55/500909855.db2.gz FMYRZOZXBVMTKI-APWZRJJASA-N 2 1 363.933 3.093 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044749 500909858 /nfs/dbraw/zinc/90/98/58/500909858.db2.gz FMYRZOZXBVMTKI-APWZRJJASA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044749 500909860 /nfs/dbraw/zinc/90/98/60/500909860.db2.gz FMYRZOZXBVMTKI-APWZRJJASA-N 2 1 363.933 3.093 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(Cl)cccc3N3CCOCC3)CC[C@@H]21 ZINC000449044749 500909862 /nfs/dbraw/zinc/90/98/62/500909862.db2.gz FMYRZOZXBVMTKI-APWZRJJASA-N 2 1 363.933 3.093 20 0 FGADMP C[C@@H](C[NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061314 500914251 /nfs/dbraw/zinc/91/42/51/500914251.db2.gz IFEFLFKMXFEERJ-KRWDZBQOSA-N 2 1 366.571 3.438 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CCC(COC)CC3)cc2)CC1 ZINC000449082674 500920158 /nfs/dbraw/zinc/92/01/58/500920158.db2.gz OWZMKDJCLZEZQP-UHFFFAOYSA-N 2 1 359.558 3.119 20 0 FGADMP COc1cc(F)cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000449124889 500930682 /nfs/dbraw/zinc/93/06/82/500930682.db2.gz PYUDHDKNJVOAAU-UHFFFAOYSA-N 2 1 361.461 3.441 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccncc2F)CC1 ZINC000449131549 500931865 /nfs/dbraw/zinc/93/18/65/500931865.db2.gz NOCAKMPHWHNFGY-OAHLLOKOSA-N 2 1 360.452 3.353 20 0 FGADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195891 500945767 /nfs/dbraw/zinc/94/57/67/500945767.db2.gz WTPCWBMUJVJXIX-IAGOWNOFSA-N 2 1 371.294 3.056 20 0 FGADMP C[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cc(F)cc(F)c1 ZINC000449233775 500953947 /nfs/dbraw/zinc/95/39/47/500953947.db2.gz MZIIQRDZJRQHDX-YCRPNKLZSA-N 2 1 360.448 3.425 20 0 FGADMP COc1cccc(Sc2ccccc2C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000449244428 500955952 /nfs/dbraw/zinc/95/59/52/500955952.db2.gz SJQPXYCAUZSAQQ-HXUWFJFHSA-N 2 1 358.507 3.003 20 0 FGADMP COc1cccc(Sc2ccccc2C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000449244428 500955956 /nfs/dbraw/zinc/95/59/56/500955956.db2.gz SJQPXYCAUZSAQQ-HXUWFJFHSA-N 2 1 358.507 3.003 20 0 FGADMP C[C@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000445247390 500960249 /nfs/dbraw/zinc/96/02/49/500960249.db2.gz IFJQNZIEGADGBJ-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247390 500960251 /nfs/dbraw/zinc/96/02/51/500960251.db2.gz IFJQNZIEGADGBJ-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247390 500960253 /nfs/dbraw/zinc/96/02/53/500960253.db2.gz IFJQNZIEGADGBJ-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435371789 500961543 /nfs/dbraw/zinc/96/15/43/500961543.db2.gz OPPDXSVMPXPHKZ-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435371789 500961544 /nfs/dbraw/zinc/96/15/44/500961544.db2.gz OPPDXSVMPXPHKZ-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372154 500961602 /nfs/dbraw/zinc/96/16/02/500961602.db2.gz IWYRKUVXTWBVOU-APWZRJJASA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372154 500961603 /nfs/dbraw/zinc/96/16/03/500961603.db2.gz IWYRKUVXTWBVOU-APWZRJJASA-N 2 1 370.493 3.452 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000435380239 500963835 /nfs/dbraw/zinc/96/38/35/500963835.db2.gz QFYTXNDEBADGJJ-PWIZWCRZSA-N 2 1 368.525 3.483 20 0 FGADMP [NH3+]C1CC[NH+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)CC1 ZINC000435381203 500964235 /nfs/dbraw/zinc/96/42/35/500964235.db2.gz VJDGKASFHPUJSR-CYBMUJFWSA-N 2 1 356.310 3.482 20 0 FGADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440104426 500975386 /nfs/dbraw/zinc/97/53/86/500975386.db2.gz LRYQVWJAIXSXJW-JOCHJYFZSA-N 2 1 369.553 3.217 20 0 FGADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)C[C@H](C)c1cc(F)cc(F)c1 ZINC000449330023 500979483 /nfs/dbraw/zinc/97/94/83/500979483.db2.gz REKQULPBZDUSLL-KRWDZBQOSA-N 2 1 353.501 3.418 20 0 FGADMP O=C(CC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1cccc(F)c1 ZINC000435619299 501003223 /nfs/dbraw/zinc/00/32/23/501003223.db2.gz UDHZITXFJJNIIC-FQEVSTJZSA-N 2 1 370.472 3.194 20 0 FGADMP O=C(CC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)Nc1cccc(F)c1 ZINC000435619299 501003226 /nfs/dbraw/zinc/00/32/26/501003226.db2.gz UDHZITXFJJNIIC-FQEVSTJZSA-N 2 1 370.472 3.194 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000449487086 501014709 /nfs/dbraw/zinc/01/47/09/501014709.db2.gz WPQWAZMKNOVSDM-SJLPKXTDSA-N 2 1 364.530 3.355 20 0 FGADMP C[C@H](C[S@@](C)=O)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602608067 506229990 /nfs/dbraw/zinc/22/99/90/506229990.db2.gz LSDVJTREPINVDV-WSCWJOSJSA-N 2 1 350.572 3.281 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c2nccn21 ZINC000449572329 501035523 /nfs/dbraw/zinc/03/55/23/501035523.db2.gz MVYQPORIIBWSIG-LPHOPBHVSA-N 2 1 353.514 3.209 20 0 FGADMP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000449756224 501077443 /nfs/dbraw/zinc/07/74/43/501077443.db2.gz OYVXRZBDSKVLSI-CADBVGFASA-N 2 1 367.459 3.233 20 0 FGADMP Cc1cccc(C)c1OCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000441032646 501077769 /nfs/dbraw/zinc/07/77/69/501077769.db2.gz JCTSRXXHTQSKIY-UHFFFAOYSA-N 2 1 359.558 3.173 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436401154 501120839 /nfs/dbraw/zinc/12/08/39/501120839.db2.gz OAJFEJKYZPPCOJ-GOSISDBHSA-N 2 1 353.441 3.163 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1)C1CC1 ZINC000446459708 501122651 /nfs/dbraw/zinc/12/26/51/501122651.db2.gz UMXVVWRIKJTHEF-UHFFFAOYSA-N 2 1 355.526 3.275 20 0 FGADMP COc1ccccc1-c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000441347004 501124823 /nfs/dbraw/zinc/12/48/23/501124823.db2.gz ORYNDJDWXZUCJC-UHFFFAOYSA-N 2 1 367.537 3.478 20 0 FGADMP CCc1cc(CCC[N@@H+](C)C2CCN(CCc3ccccn3)CC2)on1 ZINC000450467021 501127822 /nfs/dbraw/zinc/12/78/22/501127822.db2.gz ICOBYSIIBBLHRC-UHFFFAOYSA-N 2 1 356.514 3.204 20 0 FGADMP C[N@H+](Cc1ccn(CC(F)(F)F)n1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450639054 501172982 /nfs/dbraw/zinc/17/29/82/501172982.db2.gz KEJPMVVBKCEKKI-UHFFFAOYSA-N 2 1 367.419 3.189 20 0 FGADMP C[C@@H]1CCC[C@]1(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000450119316 501186011 /nfs/dbraw/zinc/18/60/11/501186011.db2.gz POLZADZOMKAEGP-GCJKJVERSA-N 2 1 363.590 3.467 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@@H](C)c3cncc(F)c3)CC2)cc1 ZINC000451230537 501253676 /nfs/dbraw/zinc/25/36/76/501253676.db2.gz STQYOSOPFXMQDL-HNNXBMFYSA-N 2 1 370.472 3.494 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453097626 501268087 /nfs/dbraw/zinc/26/80/87/501268087.db2.gz USWPXDQVIYQCTO-BDTNDASRSA-N 2 1 355.526 3.030 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+]1CCCC1 ZINC000457621545 501270355 /nfs/dbraw/zinc/27/03/55/501270355.db2.gz QCQUSXXRMHUBTG-CTNGQTDRSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000457648372 501277071 /nfs/dbraw/zinc/27/70/71/501277071.db2.gz KAIYNHKPWOSNJS-UHFFFAOYSA-N 2 1 362.562 3.446 20 0 FGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451403625 501284292 /nfs/dbraw/zinc/28/42/92/501284292.db2.gz DORGXNSHMCHUIP-DJIMGWMZSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@@H]1C[C@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451403625 501284295 /nfs/dbraw/zinc/28/42/95/501284295.db2.gz DORGXNSHMCHUIP-DJIMGWMZSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)CC1 ZINC000453277357 501306091 /nfs/dbraw/zinc/30/60/91/501306091.db2.gz JEFVEFOGSUMPJD-HUUJSLGLSA-N 2 1 369.553 3.311 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525300 501313191 /nfs/dbraw/zinc/31/31/91/501313191.db2.gz AMMWEZRLPHHFLJ-REWPJTCUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525300 501313193 /nfs/dbraw/zinc/31/31/93/501313193.db2.gz AMMWEZRLPHHFLJ-REWPJTCUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525300 501313194 /nfs/dbraw/zinc/31/31/94/501313194.db2.gz AMMWEZRLPHHFLJ-REWPJTCUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000451525300 501313196 /nfs/dbraw/zinc/31/31/96/501313196.db2.gz AMMWEZRLPHHFLJ-REWPJTCUSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531383 501314193 /nfs/dbraw/zinc/31/41/93/501314193.db2.gz RHTFZTKEPMTIGI-ZNGDTJSRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531383 501314198 /nfs/dbraw/zinc/31/41/98/501314198.db2.gz RHTFZTKEPMTIGI-ZNGDTJSRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531383 501314200 /nfs/dbraw/zinc/31/42/00/501314200.db2.gz RHTFZTKEPMTIGI-ZNGDTJSRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000451531383 501314204 /nfs/dbraw/zinc/31/42/04/501314204.db2.gz RHTFZTKEPMTIGI-ZNGDTJSRSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530568 501314261 /nfs/dbraw/zinc/31/42/61/501314261.db2.gz PYVVMTJWCOETLH-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530568 501314264 /nfs/dbraw/zinc/31/42/64/501314264.db2.gz PYVVMTJWCOETLH-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530568 501314266 /nfs/dbraw/zinc/31/42/66/501314266.db2.gz PYVVMTJWCOETLH-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530568 501314267 /nfs/dbraw/zinc/31/42/67/501314267.db2.gz PYVVMTJWCOETLH-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000453361086 501320501 /nfs/dbraw/zinc/32/05/01/501320501.db2.gz QGTGXOKUTMKJAM-FYZZASKESA-N 2 1 361.530 3.028 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366461 501320748 /nfs/dbraw/zinc/32/07/48/501320748.db2.gz SZJCSLGGJYPKGT-XUWXXGDYSA-N 2 1 360.452 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366461 501320750 /nfs/dbraw/zinc/32/07/50/501320750.db2.gz SZJCSLGGJYPKGT-XUWXXGDYSA-N 2 1 360.452 3.073 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000453407018 501325584 /nfs/dbraw/zinc/32/55/84/501325584.db2.gz RRAJHRNSROWPJL-BAGYTPMASA-N 2 1 350.510 3.218 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453445287 501333292 /nfs/dbraw/zinc/33/32/92/501333292.db2.gz OLQZKOKTHBMDPS-IMFGXOCKSA-N 2 1 366.509 3.217 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453445287 501333294 /nfs/dbraw/zinc/33/32/94/501333294.db2.gz OLQZKOKTHBMDPS-IMFGXOCKSA-N 2 1 366.509 3.217 20 0 FGADMP C[N@@H+](CCCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000455627092 501350388 /nfs/dbraw/zinc/35/03/88/501350388.db2.gz ZHLAQQPLDXFHGI-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455950532 501424190 /nfs/dbraw/zinc/42/41/90/501424190.db2.gz ZSDAHPKWYCSJMH-GGPKGHCWSA-N 2 1 356.514 3.326 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492316 506253621 /nfs/dbraw/zinc/25/36/21/506253621.db2.gz KRDWRWPOICLSSM-JSXRDJHFSA-N 2 1 358.526 3.386 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C12CCOCC2 ZINC000582492316 506253625 /nfs/dbraw/zinc/25/36/25/506253625.db2.gz KRDWRWPOICLSSM-JSXRDJHFSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458486396 501455399 /nfs/dbraw/zinc/45/53/99/501455399.db2.gz GPKCAXLTPUEFDT-UYAOXDASSA-N 2 1 374.573 3.459 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000458495530 501458562 /nfs/dbraw/zinc/45/85/62/501458562.db2.gz MNFOHXSFVMMHPQ-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495530 501458564 /nfs/dbraw/zinc/45/85/64/501458564.db2.gz MNFOHXSFVMMHPQ-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000458495530 501458565 /nfs/dbraw/zinc/45/85/65/501458565.db2.gz MNFOHXSFVMMHPQ-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CCNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511116 501462793 /nfs/dbraw/zinc/46/27/93/501462793.db2.gz POSJCZLIPHGLAD-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511116 501462795 /nfs/dbraw/zinc/46/27/95/501462795.db2.gz POSJCZLIPHGLAD-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511116 501462796 /nfs/dbraw/zinc/46/27/96/501462796.db2.gz POSJCZLIPHGLAD-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@@H+](CCCCNC(=O)NCc1ccccc1C[NH+]1CCCCC1)C1CC1 ZINC000454192881 501479620 /nfs/dbraw/zinc/47/96/20/501479620.db2.gz LKBYRTQEILESNY-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000454328382 501514589 /nfs/dbraw/zinc/51/45/89/501514589.db2.gz RJOHRUKFFVWKNU-UHFFFAOYSA-N 2 1 363.550 3.124 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000454481771 501556126 /nfs/dbraw/zinc/55/61/26/501556126.db2.gz IMCFFSYQSKKCOT-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454481771 501556128 /nfs/dbraw/zinc/55/61/28/501556128.db2.gz IMCFFSYQSKKCOT-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454481771 501556129 /nfs/dbraw/zinc/55/61/29/501556129.db2.gz IMCFFSYQSKKCOT-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000459149632 501604062 /nfs/dbraw/zinc/60/40/62/501604062.db2.gz GLZQJPAPDQEACW-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000459149632 501604064 /nfs/dbraw/zinc/60/40/64/501604064.db2.gz GLZQJPAPDQEACW-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000459149632 501604067 /nfs/dbraw/zinc/60/40/67/501604067.db2.gz GLZQJPAPDQEACW-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000459196683 501611935 /nfs/dbraw/zinc/61/19/35/501611935.db2.gz CFHVOUNLNPLNAS-UHFFFAOYSA-N 2 1 365.481 3.044 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099146 501650349 /nfs/dbraw/zinc/65/03/49/501650349.db2.gz UXHUZCDCMAXGCP-MOPGFXCFSA-N 2 1 372.557 3.434 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000457099146 501650352 /nfs/dbraw/zinc/65/03/52/501650352.db2.gz UXHUZCDCMAXGCP-MOPGFXCFSA-N 2 1 372.557 3.434 20 0 FGADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H]1CC[NH+](C)C1 ZINC000459498494 501664603 /nfs/dbraw/zinc/66/46/03/501664603.db2.gz BADJNXLHDAJHOI-KRWDZBQOSA-N 2 1 353.514 3.444 20 0 FGADMP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H]1CC[NH+](C)C1 ZINC000459498494 501664604 /nfs/dbraw/zinc/66/46/04/501664604.db2.gz BADJNXLHDAJHOI-KRWDZBQOSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H]1CC[N@H+](C)C1 ZINC000459498494 501664607 /nfs/dbraw/zinc/66/46/07/501664607.db2.gz BADJNXLHDAJHOI-KRWDZBQOSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@H]1CC[N@@H+](C)C1 ZINC000459498494 501664609 /nfs/dbraw/zinc/66/46/09/501664609.db2.gz BADJNXLHDAJHOI-KRWDZBQOSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000459551275 501675255 /nfs/dbraw/zinc/67/52/55/501675255.db2.gz NACLOEFPJFPJBS-AWEZNQCLSA-N 2 1 353.304 3.318 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)C1CC[NH+](C)CC1 ZINC000459693712 501700059 /nfs/dbraw/zinc/70/00/59/501700059.db2.gz ZUHNKSJIECJOFB-IFMALSPDSA-N 2 1 369.553 3.218 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459796019 501715402 /nfs/dbraw/zinc/71/54/02/501715402.db2.gz VXSZYZTURDCXLP-ROUUACIJSA-N 2 1 371.525 3.163 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000481327810 501744962 /nfs/dbraw/zinc/74/49/62/501744962.db2.gz MWDAYMVTVUEKSG-BJLQDIEVSA-N 2 1 373.541 3.211 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000481327810 501744971 /nfs/dbraw/zinc/74/49/71/501744971.db2.gz MWDAYMVTVUEKSG-BJLQDIEVSA-N 2 1 373.541 3.211 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000460248188 501770651 /nfs/dbraw/zinc/77/06/51/501770651.db2.gz SMGDKGYYGDBVSQ-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000467428949 501792151 /nfs/dbraw/zinc/79/21/51/501792151.db2.gz MVCMKEJIASOCEI-PMOQBDJRSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000467428949 501792154 /nfs/dbraw/zinc/79/21/54/501792154.db2.gz MVCMKEJIASOCEI-PMOQBDJRSA-N 2 1 352.522 3.399 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485357884 501795885 /nfs/dbraw/zinc/79/58/85/501795885.db2.gz MPTJXHMWGFVVKX-CZTZKLFOSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485357884 501795893 /nfs/dbraw/zinc/79/58/93/501795893.db2.gz MPTJXHMWGFVVKX-CZTZKLFOSA-N 2 1 363.505 3.292 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000481557318 501813856 /nfs/dbraw/zinc/81/38/56/501813856.db2.gz ABDMHSDFPPGOFG-CRAIPNDOSA-N 2 1 366.933 3.327 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485445442 501823174 /nfs/dbraw/zinc/82/31/74/501823174.db2.gz QEAMQFSOUUSBRM-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C(=O)NC1CCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485493223 501837525 /nfs/dbraw/zinc/83/75/25/501837525.db2.gz SEUPCXUDUCSRBO-IBGZPJMESA-N 2 1 369.553 3.422 20 0 FGADMP O[C@]1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000481664194 501842739 /nfs/dbraw/zinc/84/27/39/501842739.db2.gz WJAIYBHJCINBIJ-VXKWHMMOSA-N 2 1 351.494 3.149 20 0 FGADMP O[C@]1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000481664194 501842744 /nfs/dbraw/zinc/84/27/44/501842744.db2.gz WJAIYBHJCINBIJ-VXKWHMMOSA-N 2 1 351.494 3.149 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033581 501952827 /nfs/dbraw/zinc/95/28/27/501952827.db2.gz OVYHFSHZGGMVLZ-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033581 501952836 /nfs/dbraw/zinc/95/28/36/501952836.db2.gz OVYHFSHZGGMVLZ-NQIIRXRSSA-N 2 1 357.542 3.183 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000474802463 501957231 /nfs/dbraw/zinc/95/72/31/501957231.db2.gz RCIVQZGHBDOOHO-SYGLAOGMSA-N 2 1 358.526 3.464 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1C ZINC000474802463 501957235 /nfs/dbraw/zinc/95/72/35/501957235.db2.gz RCIVQZGHBDOOHO-SYGLAOGMSA-N 2 1 358.526 3.464 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352760 501963796 /nfs/dbraw/zinc/96/37/96/501963796.db2.gz CYOXGCKCMLTPAC-LEWJYISDSA-N 2 1 357.542 3.450 20 0 FGADMP Cc1ccc2c(C)cc(NCc3ccnc(OCC[NH+](C)C)c3)[nH+]c2c1 ZINC000460961926 501971483 /nfs/dbraw/zinc/97/14/83/501971483.db2.gz VBKLIECWLXZWIA-UHFFFAOYSA-N 2 1 350.466 3.221 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cn1 ZINC000482134190 501984553 /nfs/dbraw/zinc/98/45/53/501984553.db2.gz BFOZXFUASACETC-GOEBONIOSA-N 2 1 352.910 3.164 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000482132791 501984574 /nfs/dbraw/zinc/98/45/74/501984574.db2.gz BWINZWYRKTYCQW-SJLPKXTDSA-N 2 1 363.571 3.123 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)Nc1ccnn1C(C)C ZINC000482146900 501988923 /nfs/dbraw/zinc/98/89/23/501988923.db2.gz PXKALRSFMWJNAP-FGTMMUONSA-N 2 1 363.550 3.281 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000482156015 501992072 /nfs/dbraw/zinc/99/20/72/501992072.db2.gz HOLXGACCPQBFNN-WMLDXEAASA-N 2 1 353.457 3.394 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000468286516 502016360 /nfs/dbraw/zinc/01/63/60/502016360.db2.gz FUTNFBYRYAPJMI-QGZVFWFLSA-N 2 1 371.447 3.300 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473525 502070353 /nfs/dbraw/zinc/07/03/53/502070353.db2.gz XWJGXSZJSHFWFS-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473525 502070357 /nfs/dbraw/zinc/07/03/57/502070357.db2.gz XWJGXSZJSHFWFS-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000468473525 502070360 /nfs/dbraw/zinc/07/03/60/502070360.db2.gz XWJGXSZJSHFWFS-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000468473525 502070363 /nfs/dbraw/zinc/07/03/63/502070363.db2.gz XWJGXSZJSHFWFS-SVFBPWRDSA-N 2 1 357.542 3.420 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468573 502077406 /nfs/dbraw/zinc/07/74/06/502077406.db2.gz LOCLMEDUBSEAIO-YADHBBJMSA-N 2 1 365.521 3.316 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468573 502077412 /nfs/dbraw/zinc/07/74/12/502077412.db2.gz LOCLMEDUBSEAIO-YADHBBJMSA-N 2 1 365.521 3.316 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000475157362 502085867 /nfs/dbraw/zinc/08/58/67/502085867.db2.gz YOTIBRMZRFYRIM-FPOVZHCZSA-N 2 1 357.542 3.198 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771282 502087789 /nfs/dbraw/zinc/08/77/89/502087789.db2.gz CSVPUUHDEJCPNC-QUCCMNQESA-N 2 1 362.558 3.388 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771282 502087798 /nfs/dbraw/zinc/08/77/98/502087798.db2.gz CSVPUUHDEJCPNC-QUCCMNQESA-N 2 1 362.558 3.388 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000478829288 502099312 /nfs/dbraw/zinc/09/93/12/502099312.db2.gz JLPOQQXRUJOWHL-RXVVDRJESA-N 2 1 372.557 3.295 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482549953 502107787 /nfs/dbraw/zinc/10/77/87/502107787.db2.gz IJBMSNSNMDQMIR-SFHVURJKSA-N 2 1 366.347 3.054 20 0 FGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556307 502109986 /nfs/dbraw/zinc/10/99/86/502109986.db2.gz JMSMHCJBYNDNFG-WMZOPIPTSA-N 2 1 351.922 3.358 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000461429403 502111196 /nfs/dbraw/zinc/11/11/96/502111196.db2.gz OAKJDMQRUKKGOE-NGVUMRSOSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429403 502111198 /nfs/dbraw/zinc/11/11/98/502111198.db2.gz OAKJDMQRUKKGOE-NGVUMRSOSA-N 2 1 369.553 3.228 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000461429403 502111202 /nfs/dbraw/zinc/11/12/02/502111202.db2.gz OAKJDMQRUKKGOE-NGVUMRSOSA-N 2 1 369.553 3.228 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000461467839 502126129 /nfs/dbraw/zinc/12/61/29/502126129.db2.gz VQXLFNHWTVYABB-RBBKRZOGSA-N 2 1 369.553 3.279 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000471840389 502150948 /nfs/dbraw/zinc/15/09/48/502150948.db2.gz SRZWNRKTEOSRLY-AZUAARDMSA-N 2 1 371.550 3.036 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000471840389 502150952 /nfs/dbraw/zinc/15/09/52/502150952.db2.gz SRZWNRKTEOSRLY-AZUAARDMSA-N 2 1 371.550 3.036 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC[N@H+]1C ZINC000486496503 502171406 /nfs/dbraw/zinc/17/14/06/502171406.db2.gz QTFWEMQIFCAELG-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000486496503 502171408 /nfs/dbraw/zinc/17/14/08/502171408.db2.gz QTFWEMQIFCAELG-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000486496503 502171411 /nfs/dbraw/zinc/17/14/11/502171411.db2.gz QTFWEMQIFCAELG-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000475721663 502263752 /nfs/dbraw/zinc/26/37/52/502263752.db2.gz OXUCMCPBAHLHRA-INIZCTEOSA-N 2 1 363.527 3.238 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccc(OC)cc3s2)C1 ZINC000475721663 502263754 /nfs/dbraw/zinc/26/37/54/502263754.db2.gz OXUCMCPBAHLHRA-INIZCTEOSA-N 2 1 363.527 3.238 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000462017744 502275746 /nfs/dbraw/zinc/27/57/46/502275746.db2.gz UMTHHYCRCCMVGD-QGZVFWFLSA-N 2 1 359.514 3.139 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000483126123 502282268 /nfs/dbraw/zinc/28/22/68/502282268.db2.gz BQUDJADNPFJEKG-URVUXULASA-N 2 1 359.558 3.382 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000479526242 502286607 /nfs/dbraw/zinc/28/66/07/502286607.db2.gz KRJOEPVCVCSBRF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479526242 502286611 /nfs/dbraw/zinc/28/66/11/502286611.db2.gz KRJOEPVCVCSBRF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479526242 502286617 /nfs/dbraw/zinc/28/66/17/502286617.db2.gz KRJOEPVCVCSBRF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265432 502289922 /nfs/dbraw/zinc/28/99/22/502289922.db2.gz NNCQKYPNZFADMI-LSDHHAIUSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265432 502289926 /nfs/dbraw/zinc/28/99/26/502289926.db2.gz NNCQKYPNZFADMI-LSDHHAIUSA-N 2 1 364.515 3.292 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000465579868 502313893 /nfs/dbraw/zinc/31/38/93/502313893.db2.gz VUYVGICNONQHCE-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000465579868 502313899 /nfs/dbraw/zinc/31/38/99/502313899.db2.gz VUYVGICNONQHCE-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000465579868 502313904 /nfs/dbraw/zinc/31/39/04/502313904.db2.gz VUYVGICNONQHCE-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP NC(=O)c1csc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472353931 502326330 /nfs/dbraw/zinc/32/63/30/502326330.db2.gz HEVYFDSPLMYFME-VQIMIIECSA-N 2 1 357.523 3.019 20 0 FGADMP C[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000462191206 502342794 /nfs/dbraw/zinc/34/27/94/502342794.db2.gz VDTNDGVPLWCKGE-KNKQGSTJSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000462191206 502342800 /nfs/dbraw/zinc/34/28/00/502342800.db2.gz VDTNDGVPLWCKGE-KNKQGSTJSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191206 502342808 /nfs/dbraw/zinc/34/28/08/502342808.db2.gz VDTNDGVPLWCKGE-KNKQGSTJSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191206 502342814 /nfs/dbraw/zinc/34/28/14/502342814.db2.gz VDTNDGVPLWCKGE-KNKQGSTJSA-N 2 1 365.521 3.144 20 0 FGADMP CC(C)CNC(=O)c1cccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000472457766 502357106 /nfs/dbraw/zinc/35/71/06/502357106.db2.gz UTKJBSHZUMVYLZ-HXUWFJFHSA-N 2 1 357.542 3.236 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2)CC1 ZINC000465721453 502360098 /nfs/dbraw/zinc/36/00/98/502360098.db2.gz KGYFMGUKBQXRQJ-HLAWJBBLSA-N 2 1 372.557 3.242 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000472568550 502385804 /nfs/dbraw/zinc/38/58/04/502385804.db2.gz JCBUJMMCYSAYQQ-GOSISDBHSA-N 2 1 371.529 3.151 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000465813832 502392908 /nfs/dbraw/zinc/39/29/08/502392908.db2.gz OSGVWIDCZVIKBB-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP c1ccc([C@@H](CNC2CC[NH+](Cc3ccccn3)CC2)[NH+]2CCCC2)cc1 ZINC000479852813 502397564 /nfs/dbraw/zinc/39/75/64/502397564.db2.gz RISWUAQSLICLTP-HSZRJFAPSA-N 2 1 364.537 3.473 20 0 FGADMP CCC(C)(C)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483511977 502415775 /nfs/dbraw/zinc/41/57/75/502415775.db2.gz KOCFQNOAXIPPGU-VQTJNVASSA-N 2 1 357.542 3.278 20 0 FGADMP CCC(C)(C)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483511975 502416180 /nfs/dbraw/zinc/41/61/80/502416180.db2.gz KOCFQNOAXIPPGU-PMACEKPBSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[NH+](C)CC1 ZINC000469433666 502416227 /nfs/dbraw/zinc/41/62/27/502416227.db2.gz HAFBNRAVDWZWBP-WIYYLYMNSA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000469433666 502416228 /nfs/dbraw/zinc/41/62/28/502416228.db2.gz HAFBNRAVDWZWBP-WIYYLYMNSA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000469433666 502416230 /nfs/dbraw/zinc/41/62/30/502416230.db2.gz HAFBNRAVDWZWBP-WIYYLYMNSA-N 2 1 372.557 3.093 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730382 502426819 /nfs/dbraw/zinc/42/68/19/502426819.db2.gz BCSCPERPTYTBLW-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730382 502426822 /nfs/dbraw/zinc/42/68/22/502426822.db2.gz BCSCPERPTYTBLW-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730382 502426825 /nfs/dbraw/zinc/42/68/25/502426825.db2.gz BCSCPERPTYTBLW-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730382 502426828 /nfs/dbraw/zinc/42/68/28/502426828.db2.gz BCSCPERPTYTBLW-SJORKVTESA-N 2 1 374.447 3.251 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1)[NH+](C)C ZINC000462423161 502432391 /nfs/dbraw/zinc/43/23/91/502432391.db2.gz WXAKUIOGKMTUQJ-OXJNMPFZSA-N 2 1 370.497 3.000 20 0 FGADMP CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000465944272 502434671 /nfs/dbraw/zinc/43/46/71/502434671.db2.gz XOPWVFLAOWGBNR-RTWAWAEBSA-N 2 1 374.573 3.065 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000487412192 502437852 /nfs/dbraw/zinc/43/78/52/502437852.db2.gz QVLQWBUCFUZDMC-OXJNMPFZSA-N 2 1 369.513 3.223 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)cc1 ZINC000487412192 502437853 /nfs/dbraw/zinc/43/78/53/502437853.db2.gz QVLQWBUCFUZDMC-OXJNMPFZSA-N 2 1 369.513 3.223 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617983 502444613 /nfs/dbraw/zinc/44/46/13/502444613.db2.gz SMMULFBDLJROEI-SCTDSRPQSA-N 2 1 352.494 3.320 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000466030879 502459156 /nfs/dbraw/zinc/45/91/56/502459156.db2.gz DESPVTYPXONRSX-KOUHRCEDSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000466030879 502459159 /nfs/dbraw/zinc/45/91/59/502459159.db2.gz DESPVTYPXONRSX-KOUHRCEDSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000466030879 502459161 /nfs/dbraw/zinc/45/91/61/502459161.db2.gz DESPVTYPXONRSX-KOUHRCEDSA-N 2 1 372.557 3.164 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000466041103 502464212 /nfs/dbraw/zinc/46/42/12/502464212.db2.gz WCLCCOBXBDDQDV-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000466041103 502464214 /nfs/dbraw/zinc/46/42/14/502464214.db2.gz WCLCCOBXBDDQDV-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466041103 502464218 /nfs/dbraw/zinc/46/42/18/502464218.db2.gz WCLCCOBXBDDQDV-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000483700257 502467206 /nfs/dbraw/zinc/46/72/06/502467206.db2.gz JZNDNSFNMDABHP-IEBWSBKVSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000483700257 502467208 /nfs/dbraw/zinc/46/72/08/502467208.db2.gz JZNDNSFNMDABHP-IEBWSBKVSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000483700257 502467216 /nfs/dbraw/zinc/46/72/16/502467216.db2.gz JZNDNSFNMDABHP-IEBWSBKVSA-N 2 1 352.567 3.155 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)[NH+]1CCCC1 ZINC000483709975 502470986 /nfs/dbraw/zinc/47/09/86/502470986.db2.gz LCYWLBJSHIRRTJ-HOJAQTOUSA-N 2 1 366.594 3.401 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H](C)C1 ZINC000462532471 502478215 /nfs/dbraw/zinc/47/82/15/502478215.db2.gz DYKTVLIPDJBPDP-WBMJQRKESA-N 2 1 353.304 3.204 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)cc3c2OCC3)[C@H](C)C1 ZINC000462532471 502478220 /nfs/dbraw/zinc/47/82/20/502478220.db2.gz DYKTVLIPDJBPDP-WBMJQRKESA-N 2 1 353.304 3.204 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@H](C)C2)c1 ZINC000483744856 502482099 /nfs/dbraw/zinc/48/20/99/502482099.db2.gz KPYUCHXNEAXQHG-XLIONFOSSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000483744856 502482103 /nfs/dbraw/zinc/48/21/03/502482103.db2.gz KPYUCHXNEAXQHG-XLIONFOSSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)c1 ZINC000483744856 502482107 /nfs/dbraw/zinc/48/21/07/502482107.db2.gz KPYUCHXNEAXQHG-XLIONFOSSA-N 2 1 360.546 3.153 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466154550 502491533 /nfs/dbraw/zinc/49/15/33/502491533.db2.gz TUYKJWHISSBZFI-IYWMVGAKSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000588711960 506317106 /nfs/dbraw/zinc/31/71/06/506317106.db2.gz VVHIYZWLYNZGPM-OALUTQOASA-N 2 1 373.541 3.063 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462617573 502509649 /nfs/dbraw/zinc/50/96/49/502509649.db2.gz LHSKAEJWJPAAMV-AQNXPRMDSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462617573 502509652 /nfs/dbraw/zinc/50/96/52/502509652.db2.gz LHSKAEJWJPAAMV-AQNXPRMDSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462617573 502509655 /nfs/dbraw/zinc/50/96/55/502509655.db2.gz LHSKAEJWJPAAMV-AQNXPRMDSA-N 2 1 366.594 3.403 20 0 FGADMP COC(=O)[C@@H](c1ccccc1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000466233975 502511927 /nfs/dbraw/zinc/51/19/27/502511927.db2.gz YGNUWHHBHXPEDP-OAQYLSRUSA-N 2 1 367.493 3.453 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000483952913 502530729 /nfs/dbraw/zinc/53/07/29/502530729.db2.gz IHMSXSKTRTUXBK-GOSISDBHSA-N 2 1 358.530 3.387 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000466303857 502533234 /nfs/dbraw/zinc/53/32/34/502533234.db2.gz ZJQODFYTORHIQX-FQEVSTJZSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000480327683 502539263 /nfs/dbraw/zinc/53/92/63/502539263.db2.gz NQIGRZRPUMEBNR-KRWDZBQOSA-N 2 1 358.917 3.203 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850399 502547715 /nfs/dbraw/zinc/54/77/15/502547715.db2.gz KXUMYVRTFWVFMH-MOPGFXCFSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850399 502547720 /nfs/dbraw/zinc/54/77/20/502547720.db2.gz KXUMYVRTFWVFMH-MOPGFXCFSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000487850399 502547725 /nfs/dbraw/zinc/54/77/25/502547725.db2.gz KXUMYVRTFWVFMH-MOPGFXCFSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[C@@]1(C)C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476652607 502551047 /nfs/dbraw/zinc/55/10/47/502551047.db2.gz BUJOQIWPBARURF-RBBKRZOGSA-N 2 1 363.590 3.323 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000462785703 502572090 /nfs/dbraw/zinc/57/20/90/502572090.db2.gz RHOKFMNLFJQCCS-YUXAGFNASA-N 2 1 358.526 3.204 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2C[N@@H+](C)C[C@@H]2C)n1 ZINC000462824288 502588062 /nfs/dbraw/zinc/58/80/62/502588062.db2.gz DTWCBUJUZPYWPK-DOTOQJQBSA-N 2 1 358.486 3.122 20 0 FGADMP COC(=O)c1cc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)oc1C ZINC000488075387 502619235 /nfs/dbraw/zinc/61/92/35/502619235.db2.gz KKPOPGUGPIYTPT-UHFFFAOYSA-N 2 1 362.392 3.223 20 0 FGADMP COc1sc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1Br ZINC000470005857 502628071 /nfs/dbraw/zinc/62/80/71/502628071.db2.gz JOHDEXKJGRGMPL-CQSZACIVSA-N 2 1 359.333 3.483 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn(C)nc3C(F)F)CC2)C[C@H](C)O1 ZINC000462957232 502643061 /nfs/dbraw/zinc/64/30/61/502643061.db2.gz LOEQPOYRRQTORH-GJZGRUSLSA-N 2 1 370.488 3.069 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725585 502653622 /nfs/dbraw/zinc/65/36/22/502653622.db2.gz YPNZTPULAKUQPO-TZIWHRDSSA-N 2 1 357.542 3.369 20 0 FGADMP CCCC[N@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000473753648 502697135 /nfs/dbraw/zinc/69/71/35/502697135.db2.gz YPACMLIORGQKBC-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[NH+](C3CC3)CC2)c1 ZINC000473753648 502697137 /nfs/dbraw/zinc/69/71/37/502697137.db2.gz YPACMLIORGQKBC-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP COc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000463128921 502702153 /nfs/dbraw/zinc/70/21/53/502702153.db2.gz AJQJXDNMQWIKOC-UHFFFAOYSA-N 2 1 354.494 3.371 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000477192583 502703935 /nfs/dbraw/zinc/70/39/35/502703935.db2.gz KJUGEVBFXZMGJP-NJYVYQBISA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC000463137482 502704324 /nfs/dbraw/zinc/70/43/24/502704324.db2.gz QZQIGPFNEDAFCY-XWSHUIEDSA-N 2 1 359.558 3.128 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H](C)O1 ZINC000463137482 502704327 /nfs/dbraw/zinc/70/43/27/502704327.db2.gz QZQIGPFNEDAFCY-XWSHUIEDSA-N 2 1 359.558 3.128 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000470293480 502727401 /nfs/dbraw/zinc/72/74/01/502727401.db2.gz RAMWGLQZFWBMGX-NRFANRHFSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271124 502742008 /nfs/dbraw/zinc/74/20/08/502742008.db2.gz IOCFWVRHQKWTMA-WIYYLYMNSA-N 2 1 372.557 3.119 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cccc(Br)c21 ZINC000481056090 502742453 /nfs/dbraw/zinc/74/24/53/502742453.db2.gz VHJDUYOWWHXDMM-WWGRRREGSA-N 2 1 353.304 3.044 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000463295065 502748091 /nfs/dbraw/zinc/74/80/91/502748091.db2.gz IBPVZYOGMUGPFG-FRIKZZABSA-N 2 1 369.553 3.468 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@H](C)[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933321 502781058 /nfs/dbraw/zinc/78/10/58/502781058.db2.gz GXPXJVXNWOLTKC-UEXGIBASSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000481207538 502783896 /nfs/dbraw/zinc/78/38/96/502783896.db2.gz XFGWRCJJKBITTQ-DMPNSMEDSA-N 2 1 371.569 3.428 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000481207538 502783898 /nfs/dbraw/zinc/78/38/98/502783898.db2.gz XFGWRCJJKBITTQ-DMPNSMEDSA-N 2 1 371.569 3.428 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(C)C ZINC000470475862 502788804 /nfs/dbraw/zinc/78/88/04/502788804.db2.gz IEUWELGNHQJBOJ-IBGZPJMESA-N 2 1 352.567 3.059 20 0 FGADMP CC[C@@H](OCC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013714 506336592 /nfs/dbraw/zinc/33/65/92/506336592.db2.gz SUWMVKMSUSFMNI-FGZHOGPDSA-N 2 1 359.558 3.255 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000495669948 502856297 /nfs/dbraw/zinc/85/62/97/502856297.db2.gz QBNIAXJNDDKVKS-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000500840091 502874769 /nfs/dbraw/zinc/87/47/69/502874769.db2.gz POWJVQXWCBCCJN-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000500840091 502874775 /nfs/dbraw/zinc/87/47/75/502874775.db2.gz POWJVQXWCBCCJN-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000500840091 502874779 /nfs/dbraw/zinc/87/47/79/502874779.db2.gz POWJVQXWCBCCJN-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023699 502914370 /nfs/dbraw/zinc/91/43/70/502914370.db2.gz UNBIUPMITFQCBF-WIYYLYMNSA-N 2 1 372.557 3.267 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000497298235 502930481 /nfs/dbraw/zinc/93/04/81/502930481.db2.gz XYUNVEYDKXHZFY-UZLBHIALSA-N 2 1 353.466 3.046 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000509572814 502938118 /nfs/dbraw/zinc/93/81/18/502938118.db2.gz XZIQOTUBROUOBS-GJZGRUSLSA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000509572814 502938120 /nfs/dbraw/zinc/93/81/20/502938120.db2.gz XZIQOTUBROUOBS-GJZGRUSLSA-N 2 1 358.404 3.353 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513510939 502956132 /nfs/dbraw/zinc/95/61/32/502956132.db2.gz GRGNBZWIXGDAPU-NQIIRXRSSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000509655045 502958579 /nfs/dbraw/zinc/95/85/79/502958579.db2.gz UVBFPAIMCWGTBM-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000509655045 502958581 /nfs/dbraw/zinc/95/85/81/502958581.db2.gz UVBFPAIMCWGTBM-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH+](C)[C@H](C)CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000509655045 502958586 /nfs/dbraw/zinc/95/85/86/502958586.db2.gz UVBFPAIMCWGTBM-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000505703227 502970033 /nfs/dbraw/zinc/97/00/33/502970033.db2.gz MMASCMYCBMGPFC-RBUKOAKNSA-N 2 1 362.562 3.101 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000501350937 502989765 /nfs/dbraw/zinc/98/97/65/502989765.db2.gz YKQMOZJDSSINOS-HKUYNNGSSA-N 2 1 352.567 3.061 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489613826 502998764 /nfs/dbraw/zinc/99/87/64/502998764.db2.gz TVZKXLMJAALQSQ-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)CN(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC1 ZINC000489634162 503001965 /nfs/dbraw/zinc/00/19/65/503001965.db2.gz MHBVRGMIULAGQH-UHFFFAOYSA-N 2 1 371.569 3.477 20 0 FGADMP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000513696846 503002791 /nfs/dbraw/zinc/00/27/91/503002791.db2.gz FHMBURLOFSQZTO-BHIFYINESA-N 2 1 352.526 3.472 20 0 FGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936288 503014715 /nfs/dbraw/zinc/01/47/15/503014715.db2.gz AWHIGIGMPDDPAN-UYAOXDASSA-N 2 1 363.521 3.130 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000501495610 503021458 /nfs/dbraw/zinc/02/14/58/503021458.db2.gz PGWRDVOKZZYBLL-SFHVURJKSA-N 2 1 366.575 3.305 20 0 FGADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000489793514 503036473 /nfs/dbraw/zinc/03/64/73/503036473.db2.gz CUNBAJZQDVGERC-UXHICEINSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489829817 503044172 /nfs/dbraw/zinc/04/41/72/503044172.db2.gz JPYKCRDKQDXMFY-TZIWHRDSSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000489829816 503044290 /nfs/dbraw/zinc/04/42/90/503044290.db2.gz JPYKCRDKQDXMFY-PZJWPPBQSA-N 2 1 374.573 3.315 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906508 503061816 /nfs/dbraw/zinc/06/18/16/503061816.db2.gz LQDAGOVZMPXSQZ-JSGCOSHPSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906508 503061821 /nfs/dbraw/zinc/06/18/21/503061821.db2.gz LQDAGOVZMPXSQZ-JSGCOSHPSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000510169221 503063660 /nfs/dbraw/zinc/06/36/60/503063660.db2.gz MAXZHFFHKBBBSU-MSOLQXFVSA-N 2 1 354.494 3.334 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000510169221 503063664 /nfs/dbraw/zinc/06/36/64/503063664.db2.gz MAXZHFFHKBBBSU-MSOLQXFVSA-N 2 1 354.494 3.334 20 0 FGADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000489991528 503084240 /nfs/dbraw/zinc/08/42/40/503084240.db2.gz UNIRDUNFGUEDMQ-INIZCTEOSA-N 2 1 363.303 3.338 20 0 FGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000489991528 503084245 /nfs/dbraw/zinc/08/42/45/503084245.db2.gz UNIRDUNFGUEDMQ-INIZCTEOSA-N 2 1 363.303 3.338 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000514126707 503094564 /nfs/dbraw/zinc/09/45/64/503094564.db2.gz LHSXEFYMXUAECS-RBUKOAKNSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000514126707 503094566 /nfs/dbraw/zinc/09/45/66/503094566.db2.gz LHSXEFYMXUAECS-RBUKOAKNSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000514126707 503094569 /nfs/dbraw/zinc/09/45/69/503094569.db2.gz LHSXEFYMXUAECS-RBUKOAKNSA-N 2 1 366.594 3.451 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856513 503095064 /nfs/dbraw/zinc/09/50/64/503095064.db2.gz JPLVJOWZOGFTQB-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C)c1ccccc1 ZINC000490116334 503111511 /nfs/dbraw/zinc/11/15/11/503111511.db2.gz DJRNHYAGPGVKDB-VQTJNVASSA-N 2 1 357.473 3.238 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000514229270 503119412 /nfs/dbraw/zinc/11/94/12/503119412.db2.gz PFLSFTAOAUHVRG-PZJWPPBQSA-N 2 1 372.557 3.306 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000498155391 503119762 /nfs/dbraw/zinc/11/97/62/503119762.db2.gz JHDYLEMHSPKNRW-IEBWSBKVSA-N 2 1 369.513 3.001 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000514241228 503123680 /nfs/dbraw/zinc/12/36/80/503123680.db2.gz JBQQYTZKPAERPO-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC[C@H]1C ZINC000510510703 503129667 /nfs/dbraw/zinc/12/96/67/503129667.db2.gz IUIPOWAHUTVCMX-XWSJACJDSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000510510703 503129673 /nfs/dbraw/zinc/12/96/73/503129673.db2.gz IUIPOWAHUTVCMX-XWSJACJDSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000510510703 503129677 /nfs/dbraw/zinc/12/96/77/503129677.db2.gz IUIPOWAHUTVCMX-XWSJACJDSA-N 2 1 364.578 3.202 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)cc1 ZINC000498250035 503142490 /nfs/dbraw/zinc/14/24/90/503142490.db2.gz HAEBJCZSHOFTNR-ZWKOTPCHSA-N 2 1 360.546 3.153 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000498264017 503146341 /nfs/dbraw/zinc/14/63/41/503146341.db2.gz GMHNDNJTJIDJRB-WERVVEIQSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000498264017 503146345 /nfs/dbraw/zinc/14/63/45/503146345.db2.gz GMHNDNJTJIDJRB-WERVVEIQSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000498264017 503146346 /nfs/dbraw/zinc/14/63/46/503146346.db2.gz GMHNDNJTJIDJRB-WERVVEIQSA-N 2 1 372.557 3.021 20 0 FGADMP C[N@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893295 503220655 /nfs/dbraw/zinc/22/06/55/503220655.db2.gz NOBNVICXPBMJGC-GMAHTHKFSA-N 2 1 350.506 3.284 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893295 503220657 /nfs/dbraw/zinc/22/06/57/503220657.db2.gz NOBNVICXPBMJGC-GMAHTHKFSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893295 503220664 /nfs/dbraw/zinc/22/06/64/503220664.db2.gz NOBNVICXPBMJGC-GMAHTHKFSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@H](O)C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1)C1CC1 ZINC000514893295 503220667 /nfs/dbraw/zinc/22/06/67/503220667.db2.gz NOBNVICXPBMJGC-GMAHTHKFSA-N 2 1 350.506 3.284 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(Br)cc32)CC1(C)C ZINC000510946053 503223279 /nfs/dbraw/zinc/22/32/79/503223279.db2.gz DWRZMHZORDALMY-KRWDZBQOSA-N 2 1 366.347 3.052 20 0 FGADMP Cc1ccc(CN2CCOCC2)cc1NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000498641078 503229809 /nfs/dbraw/zinc/22/98/09/503229809.db2.gz WDRFQYSBBXZMJA-IBGZPJMESA-N 2 1 359.514 3.030 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848436 503275505 /nfs/dbraw/zinc/27/55/05/503275505.db2.gz DBCXQSUIXXRZFQ-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848436 503275509 /nfs/dbraw/zinc/27/55/09/503275509.db2.gz DBCXQSUIXXRZFQ-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)[NH+]2CCCC2)cc1 ZINC000511215060 503281414 /nfs/dbraw/zinc/28/14/14/503281414.db2.gz GUKHUQATFNSFLZ-RXVVDRJESA-N 2 1 370.541 3.082 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000502824594 503281511 /nfs/dbraw/zinc/28/15/11/503281511.db2.gz JGMRZXLJEOJDDO-QZTJIDSGSA-N 2 1 364.534 3.226 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000507443276 503300153 /nfs/dbraw/zinc/30/01/53/503300153.db2.gz QPNTZFFLEZUTDI-RDTXWAMCSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000502892898 503301310 /nfs/dbraw/zinc/30/13/10/503301310.db2.gz NOEIEFQKXPBSBX-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1cccc(F)c1 ZINC000507490103 503308162 /nfs/dbraw/zinc/30/81/62/503308162.db2.gz ZOQXHYWKPHFZII-UVUJQTEASA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cccc(F)c1 ZINC000507490103 503308165 /nfs/dbraw/zinc/30/81/65/503308165.db2.gz ZOQXHYWKPHFZII-UVUJQTEASA-N 2 1 354.469 3.359 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484852 503312291 /nfs/dbraw/zinc/31/22/91/503312291.db2.gz LHCILPOAAKNQBB-UWJYYQICSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484852 503312295 /nfs/dbraw/zinc/31/22/95/503312295.db2.gz LHCILPOAAKNQBB-UWJYYQICSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484850 503312414 /nfs/dbraw/zinc/31/24/14/503312414.db2.gz LHCILPOAAKNQBB-LAUBAEHRSA-N 2 1 361.489 3.149 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cc2ccccc2n(C)c1=O ZINC000491484850 503312419 /nfs/dbraw/zinc/31/24/19/503312419.db2.gz LHCILPOAAKNQBB-LAUBAEHRSA-N 2 1 361.489 3.149 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3CCCC[C@@H]3C3CC3)CC2)CC1 ZINC000515386554 503328931 /nfs/dbraw/zinc/32/89/31/503328931.db2.gz PVXRJXRUYCVFLU-RTWAWAEBSA-N 2 1 361.574 3.221 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3CCCC[C@@H]3C3CC3)CC2)CC1 ZINC000515386554 503328933 /nfs/dbraw/zinc/32/89/33/503328933.db2.gz PVXRJXRUYCVFLU-RTWAWAEBSA-N 2 1 361.574 3.221 20 0 FGADMP CCOC[C@@H]1CCC[N@H+]([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094400 503345406 /nfs/dbraw/zinc/34/54/06/503345406.db2.gz PBZRWVGYZZNGOU-HZPDHXFCSA-N 2 1 356.470 3.152 20 0 FGADMP CCOC[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094400 503345409 /nfs/dbraw/zinc/34/54/09/503345409.db2.gz PBZRWVGYZZNGOU-HZPDHXFCSA-N 2 1 356.470 3.152 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000511668858 503366713 /nfs/dbraw/zinc/36/67/13/503366713.db2.gz WFTUYRQTWUKTKS-NRFANRHFSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000511668858 503366716 /nfs/dbraw/zinc/36/67/16/503366716.db2.gz WFTUYRQTWUKTKS-NRFANRHFSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000511668858 503366720 /nfs/dbraw/zinc/36/67/20/503366720.db2.gz WFTUYRQTWUKTKS-NRFANRHFSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000515832086 503408910 /nfs/dbraw/zinc/40/89/10/503408910.db2.gz JCBUVNSPDMKEIH-ARJQWXCESA-N 2 1 366.933 3.383 20 0 FGADMP COc1ccc(OCC[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503439869 503409764 /nfs/dbraw/zinc/40/97/64/503409764.db2.gz LSKWKYNWXAVWQR-QGZVFWFLSA-N 2 1 355.482 3.486 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000511900101 503410998 /nfs/dbraw/zinc/41/09/98/503410998.db2.gz DDFAQVOQGMINKC-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C\c2ccc(F)c(F)c2)C1 ZINC000511929254 503417584 /nfs/dbraw/zinc/41/75/84/503417584.db2.gz ZJPSEACYZWIMKX-ZRHASKPBSA-N 2 1 358.432 3.334 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)s1 ZINC000511978809 503426985 /nfs/dbraw/zinc/42/69/85/503426985.db2.gz PBHDVSJWZKRDFG-IBGZPJMESA-N 2 1 358.555 3.205 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)s1 ZINC000511978809 503426989 /nfs/dbraw/zinc/42/69/89/503426989.db2.gz PBHDVSJWZKRDFG-IBGZPJMESA-N 2 1 358.555 3.205 20 0 FGADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000493668196 503438450 /nfs/dbraw/zinc/43/84/50/503438450.db2.gz CDSMFNPVDDDJQV-VGOFRKELSA-N 2 1 353.510 3.484 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998971 503472651 /nfs/dbraw/zinc/47/26/51/503472651.db2.gz GTLHAQXSUWXAIQ-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998971 503472654 /nfs/dbraw/zinc/47/26/54/503472654.db2.gz GTLHAQXSUWXAIQ-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998971 503472660 /nfs/dbraw/zinc/47/26/60/503472660.db2.gz GTLHAQXSUWXAIQ-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998971 503472664 /nfs/dbraw/zinc/47/26/64/503472664.db2.gz GTLHAQXSUWXAIQ-NYVOZVTQSA-N 2 1 365.521 3.459 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000494052918 503479939 /nfs/dbraw/zinc/47/99/39/503479939.db2.gz ZCPVVHUAGLKYDP-MJGOQNOKSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000494052918 503479943 /nfs/dbraw/zinc/47/99/43/503479943.db2.gz ZCPVVHUAGLKYDP-MJGOQNOKSA-N 2 1 354.498 3.176 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516245644 503480485 /nfs/dbraw/zinc/48/04/85/503480485.db2.gz RTYHZDJRDRBUSJ-OTWHNJEPSA-N 2 1 366.594 3.116 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000503867330 503480817 /nfs/dbraw/zinc/48/08/17/503480817.db2.gz BLFOMQRSHLATHY-QHAWAJNXSA-N 2 1 373.541 3.256 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000494067936 503482440 /nfs/dbraw/zinc/48/24/40/503482440.db2.gz CUOWMJMGYFKGQH-UTKZUKDTSA-N 2 1 351.494 3.141 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000608011727 506374481 /nfs/dbraw/zinc/37/44/81/506374481.db2.gz AUSUQFKBSQJLDM-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCCNC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512235125 503493481 /nfs/dbraw/zinc/49/34/81/503493481.db2.gz ACSILUWIJDDJNP-KNQAVFIVSA-N 2 1 357.542 3.279 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)Cc2ccccc2C)CC1 ZINC000512273322 503505371 /nfs/dbraw/zinc/50/53/71/503505371.db2.gz ZQFJCZGLMAWIGG-FQEVSTJZSA-N 2 1 373.585 3.486 20 0 FGADMP Cc1cccnc1C(C)(C)CNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000582708277 506376841 /nfs/dbraw/zinc/37/68/41/506376841.db2.gz OGRZMSNLPAIZRB-UHFFFAOYSA-N 2 1 359.437 3.304 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319959 503525173 /nfs/dbraw/zinc/52/51/73/503525173.db2.gz RHMADVXKOJFCGV-QYZOEREBSA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319959 503525177 /nfs/dbraw/zinc/52/51/77/503525177.db2.gz RHMADVXKOJFCGV-QYZOEREBSA-N 2 1 367.484 3.191 20 0 FGADMP C[C@H]([NH2+]CCCNC(=O)c1cccs1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717316 503549686 /nfs/dbraw/zinc/54/96/86/503549686.db2.gz LNEUPRDQWYDCTJ-HKUYNNGSSA-N 2 1 371.550 3.368 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504324424 503556375 /nfs/dbraw/zinc/55/63/75/503556375.db2.gz LCHVJACXGXFRBU-RTWAWAEBSA-N 2 1 370.541 3.099 20 0 FGADMP CCCNC(=O)[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000512536475 503578858 /nfs/dbraw/zinc/57/88/58/503578858.db2.gz IXFVFFNEOUMUJF-HXUWFJFHSA-N 2 1 359.558 3.383 20 0 FGADMP CCCNC(=O)[C@@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000512536475 503578864 /nfs/dbraw/zinc/57/88/64/503578864.db2.gz IXFVFFNEOUMUJF-HXUWFJFHSA-N 2 1 359.558 3.383 20 0 FGADMP CCCNC(=O)[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000512536475 503578868 /nfs/dbraw/zinc/57/88/68/503578868.db2.gz IXFVFFNEOUMUJF-HXUWFJFHSA-N 2 1 359.558 3.383 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860223 503581222 /nfs/dbraw/zinc/58/12/22/503581222.db2.gz DGXRKUQQKOHUSR-IRFCIJBXSA-N 2 1 374.573 3.360 20 0 FGADMP CC[NH+]1CCN(c2ccccc2CN2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000512568326 503585866 /nfs/dbraw/zinc/58/58/66/503585866.db2.gz HQNJHXYZWBZTOQ-UHFFFAOYSA-N 2 1 370.585 3.279 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500250539 503589053 /nfs/dbraw/zinc/58/90/53/503589053.db2.gz OQKHHPLSLNIGDX-MOPGFXCFSA-N 2 1 372.557 3.165 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+](C)C ZINC000508902346 503595213 /nfs/dbraw/zinc/59/52/13/503595213.db2.gz WFXJRBMWYWGSDS-ZSXPUABSSA-N 2 1 372.557 3.112 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000512631624 503599948 /nfs/dbraw/zinc/59/99/48/503599948.db2.gz RYQPBLOTBFCCRQ-FJIDUMEYSA-N 2 1 356.432 3.190 20 0 FGADMP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000512640993 503601204 /nfs/dbraw/zinc/60/12/04/503601204.db2.gz CEDDINIBMKUAIA-BURNTYAHSA-N 2 1 350.510 3.157 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000494745247 503603292 /nfs/dbraw/zinc/60/32/92/503603292.db2.gz KQLGBZXHYUURLB-FGZHOGPDSA-N 2 1 366.505 3.127 20 0 FGADMP CC(C)(CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000504875418 503630350 /nfs/dbraw/zinc/63/03/50/503630350.db2.gz IUYAZSOXWRRETO-FQEVSTJZSA-N 2 1 372.557 3.215 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000494894636 503632027 /nfs/dbraw/zinc/63/20/27/503632027.db2.gz BENRNTWGPTYSAQ-VXKWHMMOSA-N 2 1 363.505 3.143 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3CCCOC3)CC2)c1C ZINC000509073032 503635281 /nfs/dbraw/zinc/63/52/81/503635281.db2.gz XTMNZOUBWOCPLU-GOSISDBHSA-N 2 1 361.530 3.030 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3CCCOC3)CC2)c1C ZINC000509073032 503635284 /nfs/dbraw/zinc/63/52/84/503635284.db2.gz XTMNZOUBWOCPLU-GOSISDBHSA-N 2 1 361.530 3.030 20 0 FGADMP CCOC1CC2(C1)CC[NH+](CC(C)C[N@@H+]1CCC3(CC(OCC)C3)C1)C2 ZINC000512824457 503640526 /nfs/dbraw/zinc/64/05/26/503640526.db2.gz SKDOJUADTXGWBD-UHFFFAOYSA-N 2 1 364.574 3.405 20 0 FGADMP Cc1cccc(C[N@@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920794 503656743 /nfs/dbraw/zinc/65/67/43/503656743.db2.gz XCFPFKZFXHOGRJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[N@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000532920794 503656751 /nfs/dbraw/zinc/65/67/51/503656751.db2.gz XCFPFKZFXHOGRJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000532920794 503656759 /nfs/dbraw/zinc/65/67/59/503656759.db2.gz XCFPFKZFXHOGRJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1cccc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000532920794 503656768 /nfs/dbraw/zinc/65/67/68/503656768.db2.gz XCFPFKZFXHOGRJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc([C@H]3CCCO3)s2)CC1 ZINC000536664509 503667422 /nfs/dbraw/zinc/66/74/22/503667422.db2.gz ODQXHEXIWNYKNA-GOSISDBHSA-N 2 1 367.559 3.317 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719306 503677681 /nfs/dbraw/zinc/67/76/81/503677681.db2.gz XDDGRQMIXUHDFM-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719306 503677685 /nfs/dbraw/zinc/67/76/85/503677685.db2.gz XDDGRQMIXUHDFM-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719306 503677693 /nfs/dbraw/zinc/67/76/93/503677693.db2.gz XDDGRQMIXUHDFM-FPOVZHCZSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719307 503679175 /nfs/dbraw/zinc/67/91/75/503679175.db2.gz XDDGRQMIXUHDFM-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719307 503679179 /nfs/dbraw/zinc/67/91/79/503679179.db2.gz XDDGRQMIXUHDFM-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719307 503679185 /nfs/dbraw/zinc/67/91/85/503679185.db2.gz XDDGRQMIXUHDFM-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000536695049 503684717 /nfs/dbraw/zinc/68/47/17/503684717.db2.gz JGVVFZQRZMYMQN-INIZCTEOSA-N 2 1 364.921 3.159 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3cc(Cl)ccc3n2C)C1 ZINC000536695049 503684722 /nfs/dbraw/zinc/68/47/22/503684722.db2.gz JGVVFZQRZMYMQN-INIZCTEOSA-N 2 1 364.921 3.159 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C(F)F)CCCCC3)CC2)CC1 ZINC000517245617 503692374 /nfs/dbraw/zinc/69/23/74/503692374.db2.gz WNMMRZYYTRNDIX-UHFFFAOYSA-N 2 1 371.516 3.267 20 0 FGADMP CC[N@H+]1CCCN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000540226589 503717080 /nfs/dbraw/zinc/71/70/80/503717080.db2.gz SUNJBKKFBILBCD-UHFFFAOYSA-N 2 1 358.530 3.275 20 0 FGADMP Cc1cccc(C)c1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000540244051 503721985 /nfs/dbraw/zinc/72/19/85/503721985.db2.gz GTJBDMQXDKIVFQ-PMACEKPBSA-N 2 1 360.542 3.394 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000517365941 503726088 /nfs/dbraw/zinc/72/60/88/503726088.db2.gz OMZODWPPCDDWMM-DNVCBOLYSA-N 2 1 369.534 3.104 20 0 FGADMP C[C@@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000517365941 503726094 /nfs/dbraw/zinc/72/60/94/503726094.db2.gz OMZODWPPCDDWMM-DNVCBOLYSA-N 2 1 369.534 3.104 20 0 FGADMP CC(C)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000540300968 503732798 /nfs/dbraw/zinc/73/27/98/503732798.db2.gz FQZFGCPNBNQXAM-HXUWFJFHSA-N 2 1 374.529 3.094 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000517390504 503733023 /nfs/dbraw/zinc/73/30/23/503733023.db2.gz DXBLCPRQCUSOOD-UHFFFAOYSA-N 2 1 355.526 3.162 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857416 503742602 /nfs/dbraw/zinc/74/26/02/503742602.db2.gz HWJRHARFHWNKFP-SIKLNZKXSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000536857416 503742605 /nfs/dbraw/zinc/74/26/05/503742605.db2.gz HWJRHARFHWNKFP-SIKLNZKXSA-N 2 1 365.521 3.225 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415815 503761197 /nfs/dbraw/zinc/76/11/97/503761197.db2.gz CINLHPUZXTXTJT-LRDDRELGSA-N 2 1 350.304 3.403 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000546566202 503790042 /nfs/dbraw/zinc/79/00/42/503790042.db2.gz HKBWXJZKVIUTMX-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543563765 503813205 /nfs/dbraw/zinc/81/32/05/503813205.db2.gz LAFRVXIHOLNVRV-ROUUACIJSA-N 2 1 358.530 3.271 20 0 FGADMP C[C@@H]([NH3+])c1ccc(-c2ccc([C@H](C)N3CC[NH+](CCO)CC3)cc2)cc1F ZINC000527589526 503845290 /nfs/dbraw/zinc/84/52/90/503845290.db2.gz SVZRBZJERVQJRR-SJORKVTESA-N 2 1 371.500 3.183 20 0 FGADMP COc1ccsc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546726169 503853386 /nfs/dbraw/zinc/85/33/86/503853386.db2.gz VIUASTJKXQOVCC-CABCVRRESA-N 2 1 365.568 3.458 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527638236 503870480 /nfs/dbraw/zinc/87/04/80/503870480.db2.gz HHLSMKHUTNAVBY-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C[C@H]1OC ZINC000537293993 503871238 /nfs/dbraw/zinc/87/12/38/503871238.db2.gz POOIMFKQLOZHMV-XRXFAXGQSA-N 2 1 360.542 3.053 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C[C@H]1OC ZINC000537293993 503871244 /nfs/dbraw/zinc/87/12/44/503871244.db2.gz POOIMFKQLOZHMV-XRXFAXGQSA-N 2 1 360.542 3.053 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000530354964 503936207 /nfs/dbraw/zinc/93/62/07/503936207.db2.gz MQELHQVPHAHFLI-HNNXBMFYSA-N 2 1 350.260 3.229 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000543910045 503938139 /nfs/dbraw/zinc/93/81/39/503938139.db2.gz JIKVFFYJJBFWFW-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(SC3CC3)cc2)CC1 ZINC000543999815 503966224 /nfs/dbraw/zinc/96/62/24/503966224.db2.gz IESZVLFKHNAOIC-UHFFFAOYSA-N 2 1 368.506 3.340 20 0 FGADMP C[C@H](CNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000518438958 503985051 /nfs/dbraw/zinc/98/50/51/503985051.db2.gz SCBXNVRNLBNFKU-GBESFXJTSA-N 2 1 360.546 3.069 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)nc(C)[nH+]1 ZINC000530545623 504003891 /nfs/dbraw/zinc/00/38/91/504003891.db2.gz AFHYXPPSUFJJEU-MISYRCLQSA-N 2 1 358.530 3.247 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000527950026 504012794 /nfs/dbraw/zinc/01/27/94/504012794.db2.gz OUOMJJSSXBQEJY-NRSPTQNISA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000527950026 504012799 /nfs/dbraw/zinc/01/27/99/504012799.db2.gz OUOMJJSSXBQEJY-NRSPTQNISA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000527950026 504012804 /nfs/dbraw/zinc/01/28/04/504012804.db2.gz OUOMJJSSXBQEJY-NRSPTQNISA-N 2 1 351.579 3.120 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000518709187 504046037 /nfs/dbraw/zinc/04/60/37/504046037.db2.gz LDMNNTKWPWVGMS-FQEVSTJZSA-N 2 1 366.594 3.452 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281085 504046529 /nfs/dbraw/zinc/04/65/29/504046529.db2.gz XISDDCADLZRXJS-KURKYZTESA-N 2 1 356.432 3.388 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281085 504046534 /nfs/dbraw/zinc/04/65/34/504046534.db2.gz XISDDCADLZRXJS-KURKYZTESA-N 2 1 356.432 3.388 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)CC1 ZINC000530699137 504056832 /nfs/dbraw/zinc/05/68/32/504056832.db2.gz UFVJCVYOYHDWTF-LJQANCHMSA-N 2 1 363.933 3.498 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)CC1 ZINC000530740828 504071422 /nfs/dbraw/zinc/07/14/22/504071422.db2.gz RFGHULVRTLFRBO-UXHICEINSA-N 2 1 370.541 3.080 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 ZINC000530805281 504091968 /nfs/dbraw/zinc/09/19/68/504091968.db2.gz XQYNMCKUHWEXKY-FCEWJHQRSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000530805281 504091973 /nfs/dbraw/zinc/09/19/73/504091973.db2.gz XQYNMCKUHWEXKY-FCEWJHQRSA-N 2 1 363.933 3.466 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000537960326 504096358 /nfs/dbraw/zinc/09/63/58/504096358.db2.gz QWIJYEZKRIBPPL-UCNVEGJOSA-N 2 1 366.505 3.499 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000537960326 504096362 /nfs/dbraw/zinc/09/63/62/504096362.db2.gz QWIJYEZKRIBPPL-UCNVEGJOSA-N 2 1 366.505 3.499 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(OCCO)cc2)cc1 ZINC000537968012 504098324 /nfs/dbraw/zinc/09/83/24/504098324.db2.gz LVXHMJTZCMYTGO-INIZCTEOSA-N 2 1 351.450 3.403 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537986315 504102951 /nfs/dbraw/zinc/10/29/51/504102951.db2.gz IIVBXTOZVWXAGF-AVRDEDQJSA-N 2 1 365.521 3.437 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000537986315 504102958 /nfs/dbraw/zinc/10/29/58/504102958.db2.gz IIVBXTOZVWXAGF-AVRDEDQJSA-N 2 1 365.521 3.437 20 0 FGADMP CC[N@H+](CCC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1)CC(C)C ZINC000537995536 504105446 /nfs/dbraw/zinc/10/54/46/504105446.db2.gz PLUDJLGJVUEKMJ-UHFFFAOYSA-N 2 1 350.503 3.228 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1)CC(C)C ZINC000537995536 504105450 /nfs/dbraw/zinc/10/54/50/504105450.db2.gz PLUDJLGJVUEKMJ-UHFFFAOYSA-N 2 1 350.503 3.228 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)c2cccs2)CC1 ZINC000534316800 504107530 /nfs/dbraw/zinc/10/75/30/504107530.db2.gz YFZGLJFMZMILAV-XUVXKRRUSA-N 2 1 355.551 3.430 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000518985191 504111012 /nfs/dbraw/zinc/11/10/12/504111012.db2.gz QNCKBHWHNVROOZ-LCKKVJLRSA-N 2 1 369.553 3.278 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000519017929 504119463 /nfs/dbraw/zinc/11/94/63/504119463.db2.gz XQBCITJSSOYYEO-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccc([C@H](C)[NH2+][C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000538128438 504138956 /nfs/dbraw/zinc/13/89/56/504138956.db2.gz OWJZRVKTTZZPCS-JQVVWYNYSA-N 2 1 365.521 3.425 20 0 FGADMP CCC(CC)n1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000544489088 504151950 /nfs/dbraw/zinc/15/19/50/504151950.db2.gz YQZICGWBQXNCGQ-UHFFFAOYSA-N 2 1 361.578 3.094 20 0 FGADMP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528341039 504176788 /nfs/dbraw/zinc/17/67/88/504176788.db2.gz UOMFPLGNSPHVQG-FQEVSTJZSA-N 2 1 354.498 3.095 20 0 FGADMP CCCN(C(=O)Cn1c[nH+]cc1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000528341039 504176792 /nfs/dbraw/zinc/17/67/92/504176792.db2.gz UOMFPLGNSPHVQG-FQEVSTJZSA-N 2 1 354.498 3.095 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261442 504180326 /nfs/dbraw/zinc/18/03/26/504180326.db2.gz UQLHPLXKJRYFST-AZUAARDMSA-N 2 1 357.542 3.439 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528419929 504217463 /nfs/dbraw/zinc/21/74/63/504217463.db2.gz GXMKXYPRXGMIHK-QGZVFWFLSA-N 2 1 364.852 3.111 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528419929 504217467 /nfs/dbraw/zinc/21/74/67/504217467.db2.gz GXMKXYPRXGMIHK-QGZVFWFLSA-N 2 1 364.852 3.111 20 0 FGADMP CC(C)c1nsc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000531189463 504220089 /nfs/dbraw/zinc/22/00/89/504220089.db2.gz IFQYBRQADZOPCT-UHFFFAOYSA-N 2 1 365.591 3.294 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000544701844 504226292 /nfs/dbraw/zinc/22/62/92/504226292.db2.gz AWAWMJQCQJFACE-KDURUIRLSA-N 2 1 366.594 3.166 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528461031 504234014 /nfs/dbraw/zinc/23/40/14/504234014.db2.gz ZOHZPMPQHBNOSX-ZBFHGGJFSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@H](C)C1 ZINC000528461031 504234018 /nfs/dbraw/zinc/23/40/18/504234018.db2.gz ZOHZPMPQHBNOSX-ZBFHGGJFSA-N 2 1 359.436 3.327 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](c3ccccc3)c3cncnc3)CC2)nc(C)[nH+]1 ZINC000541731903 504236944 /nfs/dbraw/zinc/23/69/44/504236944.db2.gz DEMIJPSATDMUKM-QFIPXVFZSA-N 2 1 374.492 3.231 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH3+])CC3)cc2)C1 ZINC000519536795 504244712 /nfs/dbraw/zinc/24/47/12/504244712.db2.gz AMDJOWARZATZLA-SFHVURJKSA-N 2 1 372.557 3.189 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)c(Cl)c3)CC2)CC1 ZINC000541761941 504245350 /nfs/dbraw/zinc/24/53/50/504245350.db2.gz CQEXNNAVIOSSMU-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282825 504251844 /nfs/dbraw/zinc/25/18/44/504251844.db2.gz NZEVCKYTRKSPOH-FPOVZHCZSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000531282825 504251848 /nfs/dbraw/zinc/25/18/48/504251848.db2.gz NZEVCKYTRKSPOH-FPOVZHCZSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000531282825 504251854 /nfs/dbraw/zinc/25/18/54/504251854.db2.gz NZEVCKYTRKSPOH-FPOVZHCZSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000531288736 504252657 /nfs/dbraw/zinc/25/26/57/504252657.db2.gz KCZLEWICUITCEX-SJORKVTESA-N 2 1 352.482 3.097 20 0 FGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000519580958 504260488 /nfs/dbraw/zinc/26/04/88/504260488.db2.gz UCVOFGQCVPFZNO-CVDCTZTESA-N 2 1 352.522 3.448 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528659699 504317612 /nfs/dbraw/zinc/31/76/12/504317612.db2.gz YEWDPINSTYNWHY-PSWRPDDJSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528659699 504317615 /nfs/dbraw/zinc/31/76/15/504317615.db2.gz YEWDPINSTYNWHY-PSWRPDDJSA-N 2 1 371.569 3.380 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528659699 504317620 /nfs/dbraw/zinc/31/76/20/504317620.db2.gz YEWDPINSTYNWHY-PSWRPDDJSA-N 2 1 371.569 3.380 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CC3CCCCCC3)c2)C1 ZINC000531490246 504326279 /nfs/dbraw/zinc/32/62/79/504326279.db2.gz WXJNBFYBMWOIAZ-OAQYLSRUSA-N 2 1 357.542 3.444 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)c1 ZINC000519933415 504387107 /nfs/dbraw/zinc/38/71/07/504387107.db2.gz QOCNHXFTCWHAKQ-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000519933415 504387115 /nfs/dbraw/zinc/38/71/15/504387115.db2.gz QOCNHXFTCWHAKQ-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000519933415 504387123 /nfs/dbraw/zinc/38/71/23/504387123.db2.gz QOCNHXFTCWHAKQ-QZTJIDSGSA-N 2 1 360.546 3.058 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338233 504406245 /nfs/dbraw/zinc/40/62/45/504406245.db2.gz ZEOYWNYGVMBKCH-MOPGFXCFSA-N 2 1 369.509 3.065 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338233 504406250 /nfs/dbraw/zinc/40/62/50/504406250.db2.gz ZEOYWNYGVMBKCH-MOPGFXCFSA-N 2 1 369.509 3.065 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281955 504438633 /nfs/dbraw/zinc/43/86/33/504438633.db2.gz KAUARELIIFYNJE-HOTGVXAUSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281955 504438639 /nfs/dbraw/zinc/43/86/39/504438639.db2.gz KAUARELIIFYNJE-HOTGVXAUSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281955 504438644 /nfs/dbraw/zinc/43/86/44/504438644.db2.gz KAUARELIIFYNJE-HOTGVXAUSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281955 504438647 /nfs/dbraw/zinc/43/86/47/504438647.db2.gz KAUARELIIFYNJE-HOTGVXAUSA-N 2 1 374.447 3.251 20 0 FGADMP Cc1ccncc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000538985332 504439678 /nfs/dbraw/zinc/43/96/78/504439678.db2.gz GQEUCKGRGZRWCE-DENIHFKCSA-N 2 1 352.526 3.419 20 0 FGADMP COc1ccc(Oc2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)cc2)cc1 ZINC000542316585 504447821 /nfs/dbraw/zinc/44/78/21/504447821.db2.gz YVURICSQDLZSFT-UHFFFAOYSA-N 2 1 370.493 3.424 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346830 504454252 /nfs/dbraw/zinc/45/42/52/504454252.db2.gz OAMTZJKNNLJVLR-AZUAARDMSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CC[N@@H+](CCNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000542351980 504458923 /nfs/dbraw/zinc/45/89/23/504458923.db2.gz QQCWPJDRESHZEX-LJQANCHMSA-N 2 1 365.521 3.390 20 0 FGADMP C[C@@H]1CC[NH+](CCNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000542351980 504458930 /nfs/dbraw/zinc/45/89/30/504458930.db2.gz QQCWPJDRESHZEX-LJQANCHMSA-N 2 1 365.521 3.390 20 0 FGADMP C[C@@H]1CC[NH+](CCNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000542351980 504458937 /nfs/dbraw/zinc/45/89/37/504458937.db2.gz QQCWPJDRESHZEX-LJQANCHMSA-N 2 1 365.521 3.390 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000548487056 504463616 /nfs/dbraw/zinc/46/36/16/504463616.db2.gz JWEYPVKBLBABJS-UHFFFAOYSA-N 2 1 351.579 3.323 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657660 504496835 /nfs/dbraw/zinc/49/68/35/504496835.db2.gz DFAJHIYXWOEBRG-KURKYZTESA-N 2 1 351.922 3.322 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657660 504496839 /nfs/dbraw/zinc/49/68/39/504496839.db2.gz DFAJHIYXWOEBRG-KURKYZTESA-N 2 1 351.922 3.322 20 0 FGADMP CC(C)N1CCC[C@@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680171 504506240 /nfs/dbraw/zinc/50/62/40/504506240.db2.gz IXLMKCGKJGTDLG-OAQYLSRUSA-N 2 1 369.553 3.374 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@@H]3CCCCO3)CC2)CC1 ZINC000542505798 504518232 /nfs/dbraw/zinc/51/82/32/504518232.db2.gz MZMNAXJAFDHVQA-NRFANRHFSA-N 2 1 351.579 3.074 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[C@@H]1CCCCO1 ZINC000542505798 504518238 /nfs/dbraw/zinc/51/82/38/504518238.db2.gz MZMNAXJAFDHVQA-NRFANRHFSA-N 3 1 351.579 3.074 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC[C@@H]1CCCCO1 ZINC000542505798 504518243 /nfs/dbraw/zinc/51/82/43/504518243.db2.gz MZMNAXJAFDHVQA-NRFANRHFSA-N 3 1 351.579 3.074 20 0 FGADMP CC(C)c1ncc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000539382324 504548694 /nfs/dbraw/zinc/54/86/94/504548694.db2.gz IJTQNCMKEQGYNX-INIZCTEOSA-N 2 1 364.584 3.406 20 0 FGADMP CCCOc1ccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000548796046 504570921 /nfs/dbraw/zinc/57/09/21/504570921.db2.gz YVVBDPPOSGODSI-WCRBZPEASA-N 2 1 357.542 3.218 20 0 FGADMP CCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000548796046 504570923 /nfs/dbraw/zinc/57/09/23/504570923.db2.gz YVVBDPPOSGODSI-WCRBZPEASA-N 2 1 357.542 3.218 20 0 FGADMP CCCOc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000548796046 504570926 /nfs/dbraw/zinc/57/09/26/504570926.db2.gz YVVBDPPOSGODSI-WCRBZPEASA-N 2 1 357.542 3.218 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000532212893 504574467 /nfs/dbraw/zinc/57/44/67/504574467.db2.gz LQUMOOFOHKGGDZ-RBBKRZOGSA-N 2 1 372.484 3.164 20 0 FGADMP CCC(CC)(CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539474216 504583908 /nfs/dbraw/zinc/58/39/08/504583908.db2.gz IWIFKXUMPQSSDA-SFHVURJKSA-N 2 1 372.557 3.457 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]CC2=Cc3ccccc3OC2)c2cccs2)CC1 ZINC000520931450 504611739 /nfs/dbraw/zinc/61/17/39/504611739.db2.gz FUSGFBRINLIGEZ-LJQANCHMSA-N 2 1 369.534 3.102 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc2c(c1)OCO2 ZINC000532441737 504652738 /nfs/dbraw/zinc/65/27/38/504652738.db2.gz GVFBGTSLAJJTFN-WBVHZDCISA-N 2 1 373.522 3.116 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000529419595 504667272 /nfs/dbraw/zinc/66/72/72/504667272.db2.gz QFSGSDHHPFQVDW-MQSCRBSSSA-N 2 1 369.553 3.089 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000529419595 504667276 /nfs/dbraw/zinc/66/72/76/504667276.db2.gz QFSGSDHHPFQVDW-MQSCRBSSSA-N 2 1 369.553 3.089 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000529419595 504667278 /nfs/dbraw/zinc/66/72/78/504667278.db2.gz QFSGSDHHPFQVDW-MQSCRBSSSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000521180743 504672265 /nfs/dbraw/zinc/67/22/65/504672265.db2.gz BGYRSKWLBSANOP-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000521180743 504672270 /nfs/dbraw/zinc/67/22/70/504672270.db2.gz BGYRSKWLBSANOP-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000521268957 504697467 /nfs/dbraw/zinc/69/74/67/504697467.db2.gz OSTCZXHRQODAPI-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@@H]1C ZINC000539816982 504699566 /nfs/dbraw/zinc/69/95/66/504699566.db2.gz IBOQZNROIUMYQS-ZFWWWQNUSA-N 2 1 365.319 3.401 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)ccn1 ZINC000562353370 504792844 /nfs/dbraw/zinc/79/28/44/504792844.db2.gz SNGQXBPRJGRSMQ-SJORKVTESA-N 2 1 355.482 3.162 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)ccn1 ZINC000562353370 504792846 /nfs/dbraw/zinc/79/28/46/504792846.db2.gz SNGQXBPRJGRSMQ-SJORKVTESA-N 2 1 355.482 3.162 20 0 FGADMP C[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000549343507 504795797 /nfs/dbraw/zinc/79/57/97/504795797.db2.gz CKTNHMWWZSHBIZ-FCHUYYIVSA-N 2 1 363.505 3.110 20 0 FGADMP C[N@H+]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000549343510 504795949 /nfs/dbraw/zinc/79/59/49/504795949.db2.gz CKTNHMWWZSHBIZ-VXKWHMMOSA-N 2 1 363.505 3.110 20 0 FGADMP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565158068 504810582 /nfs/dbraw/zinc/81/05/82/504810582.db2.gz QMWLDQLAIYPHPS-AEFFLSMTSA-N 2 1 353.510 3.281 20 0 FGADMP C[C@@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000565158068 504810586 /nfs/dbraw/zinc/81/05/86/504810586.db2.gz QMWLDQLAIYPHPS-AEFFLSMTSA-N 2 1 353.510 3.281 20 0 FGADMP CCc1nocc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000559260113 504811934 /nfs/dbraw/zinc/81/19/34/504811934.db2.gz OVXICGFYCBJHDS-UHFFFAOYSA-N 2 1 373.497 3.016 20 0 FGADMP CCc1nocc1C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000559260113 504811939 /nfs/dbraw/zinc/81/19/39/504811939.db2.gz OVXICGFYCBJHDS-UHFFFAOYSA-N 2 1 373.497 3.016 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC(=O)c2ccccc2)CC1 ZINC000556253697 504829500 /nfs/dbraw/zinc/82/95/00/504829500.db2.gz RGFPKNYBIVRUJU-UHFFFAOYSA-N 2 1 365.521 3.449 20 0 FGADMP COc1cc(OC)cc(C2(F)CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000549484181 504834116 /nfs/dbraw/zinc/83/41/16/504834116.db2.gz YPOYAOUVORRBIM-QGZVFWFLSA-N 2 1 350.478 3.449 20 0 FGADMP COc1cc(OC)cc(C2(F)CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000549484181 504834119 /nfs/dbraw/zinc/83/41/19/504834119.db2.gz YPOYAOUVORRBIM-QGZVFWFLSA-N 2 1 350.478 3.449 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572745 504863743 /nfs/dbraw/zinc/86/37/43/504863743.db2.gz QITASWVFKWRAQI-UYAOXDASSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572745 504863745 /nfs/dbraw/zinc/86/37/45/504863745.db2.gz QITASWVFKWRAQI-UYAOXDASSA-N 2 1 366.509 3.056 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000559548552 504885048 /nfs/dbraw/zinc/88/50/48/504885048.db2.gz NEYXHBWCUYCMCW-SIKLNZKXSA-N 2 1 374.488 3.461 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000559789668 504928224 /nfs/dbraw/zinc/92/82/24/504928224.db2.gz QDXRNJHJFCCNGN-UNMCSNQZSA-N 2 1 360.505 3.494 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@H]1c1ccccc1 ZINC000559789668 504928227 /nfs/dbraw/zinc/92/82/27/504928227.db2.gz QDXRNJHJFCCNGN-UNMCSNQZSA-N 2 1 360.505 3.494 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C[C@H](O)COc2cccc(C)c2)cc1F ZINC000565649125 504948977 /nfs/dbraw/zinc/94/89/77/504948977.db2.gz AMCDKVXXNZPCNO-SFHVURJKSA-N 2 1 369.440 3.158 20 0 FGADMP CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000550128072 504972958 /nfs/dbraw/zinc/97/29/58/504972958.db2.gz XOPOBDJOHCHGRV-NHCUHLMSSA-N 2 1 353.510 3.316 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H]2CCC[C@H]21 ZINC000556862781 504998908 /nfs/dbraw/zinc/99/89/08/504998908.db2.gz ALSVUGNJYWYESK-DZFGPLHGSA-N 2 1 363.496 3.392 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262679 505005829 /nfs/dbraw/zinc/00/58/29/505005829.db2.gz NQMBSIPRCUWJKY-PMACEKPBSA-N 2 1 360.567 3.400 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000562988515 505011827 /nfs/dbraw/zinc/01/18/27/505011827.db2.gz PDQHHJWFAINPHD-QZTJIDSGSA-N 2 1 359.514 3.152 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000565909279 505023779 /nfs/dbraw/zinc/02/37/79/505023779.db2.gz DYMSCEYBNFZYKJ-UYAOXDASSA-N 2 1 367.484 3.337 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000565909279 505023784 /nfs/dbraw/zinc/02/37/84/505023784.db2.gz DYMSCEYBNFZYKJ-UYAOXDASSA-N 2 1 367.484 3.337 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000550665288 505081978 /nfs/dbraw/zinc/08/19/78/505081978.db2.gz HDTCCWUGZRNDPK-FXAWDEMLSA-N 2 1 371.912 3.495 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000550665288 505081980 /nfs/dbraw/zinc/08/19/80/505081980.db2.gz HDTCCWUGZRNDPK-FXAWDEMLSA-N 2 1 371.912 3.495 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)CC3CCCC3)CC2)cs1 ZINC000566115288 505086664 /nfs/dbraw/zinc/08/66/64/505086664.db2.gz COJQCYGWSXIJEH-LJQANCHMSA-N 2 1 365.587 3.448 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H]2CCC[C@H]21 ZINC000560544124 505120358 /nfs/dbraw/zinc/12/03/58/505120358.db2.gz FFGWZPVBLHKWSR-BHIFYINESA-N 2 1 358.526 3.345 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000550893141 505121500 /nfs/dbraw/zinc/12/15/00/505121500.db2.gz VNNKNQNZPMCXQI-LZBANZJXSA-N 2 1 368.521 3.459 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2conc2CC)CC1 ZINC000560608014 505141858 /nfs/dbraw/zinc/14/18/58/505141858.db2.gz BZBBPMVZVQWQNC-UHFFFAOYSA-N 2 1 356.514 3.401 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2conc2CC)CC1 ZINC000560608014 505141861 /nfs/dbraw/zinc/14/18/61/505141861.db2.gz BZBBPMVZVQWQNC-UHFFFAOYSA-N 2 1 356.514 3.401 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417672 505169880 /nfs/dbraw/zinc/16/98/80/505169880.db2.gz SSBQMBWARHZOEM-GGAORHGYSA-N 2 1 371.569 3.336 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CN(c4ccccc4)CCO3)C2)CC1 ZINC000566417672 505169884 /nfs/dbraw/zinc/16/98/84/505169884.db2.gz SSBQMBWARHZOEM-GGAORHGYSA-N 2 1 371.569 3.336 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000557637616 505189200 /nfs/dbraw/zinc/18/92/00/505189200.db2.gz FDDVPAMMGPTELZ-QHCPKHFHSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H](n2cncn2)C1 ZINC000551268108 505189270 /nfs/dbraw/zinc/18/92/70/505189270.db2.gz ZTLFIICZGKVRHE-QMMLZNLJSA-N 2 1 353.514 3.046 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H](n2cncn2)C1 ZINC000551268108 505189272 /nfs/dbraw/zinc/18/92/72/505189272.db2.gz ZTLFIICZGKVRHE-QMMLZNLJSA-N 2 1 353.514 3.046 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000551272011 505190409 /nfs/dbraw/zinc/19/04/09/505190409.db2.gz UTQBTDPYXWNXMJ-SFHVURJKSA-N 2 1 370.541 3.051 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643111 505191537 /nfs/dbraw/zinc/19/15/37/505191537.db2.gz DVEADCINZWGDHL-GCJKJVERSA-N 2 1 357.542 3.278 20 0 FGADMP CN(c1ccccc1C[N@@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696892 505214596 /nfs/dbraw/zinc/21/45/96/505214596.db2.gz KVFULSSBBOHRGY-PKTZIBPZSA-N 2 1 369.553 3.360 20 0 FGADMP CN(c1ccccc1C[N@H+]1C[C@@]2(CCCO2)[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000563696892 505214599 /nfs/dbraw/zinc/21/45/99/505214599.db2.gz KVFULSSBBOHRGY-PKTZIBPZSA-N 2 1 369.553 3.360 20 0 FGADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620033 505224256 /nfs/dbraw/zinc/22/42/56/505224256.db2.gz YBXZFSYLUANKHO-PMACEKPBSA-N 2 1 354.494 3.217 20 0 FGADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620033 505224260 /nfs/dbraw/zinc/22/42/60/505224260.db2.gz YBXZFSYLUANKHO-PMACEKPBSA-N 2 1 354.494 3.217 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+](C2CCC2)C1 ZINC000557837353 505243209 /nfs/dbraw/zinc/24/32/09/505243209.db2.gz LCZSKTXHWBXERF-UTKZUKDTSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)CC[N@H+](C2CCC2)C1 ZINC000557837353 505243215 /nfs/dbraw/zinc/24/32/15/505243215.db2.gz LCZSKTXHWBXERF-UTKZUKDTSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837353 505243218 /nfs/dbraw/zinc/24/32/18/505243218.db2.gz LCZSKTXHWBXERF-UTKZUKDTSA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC[NH+](C2CCC2)C1 ZINC000557837353 505243223 /nfs/dbraw/zinc/24/32/23/505243223.db2.gz LCZSKTXHWBXERF-UTKZUKDTSA-N 2 1 373.516 3.123 20 0 FGADMP Cc1ccc(-c2nnc([C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)o2)cc1C ZINC000554746400 505255920 /nfs/dbraw/zinc/25/59/20/505255920.db2.gz YDKDBVPHWQWRAD-GOSISDBHSA-N 2 1 373.545 3.230 20 0 FGADMP Cc1ccc(-c2nnc([C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)o2)cc1C ZINC000554746400 505255922 /nfs/dbraw/zinc/25/59/22/505255922.db2.gz YDKDBVPHWQWRAD-GOSISDBHSA-N 2 1 373.545 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797106 505275044 /nfs/dbraw/zinc/27/50/44/505275044.db2.gz VUXPNEJCZMGGNO-YSIASYRMSA-N 2 1 365.521 3.339 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021115 505287806 /nfs/dbraw/zinc/28/78/06/505287806.db2.gz CZZWEMWNVARLGG-FVJLSDCUSA-N 2 1 364.493 3.049 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000561283654 505304649 /nfs/dbraw/zinc/30/46/49/505304649.db2.gz UBJKSEWPROGBFZ-VHDGCEQUSA-N 2 1 362.499 3.077 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)CC[N@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000566937249 505315564 /nfs/dbraw/zinc/31/55/64/505315564.db2.gz SAXPTKFUKMHCBR-VQIMIIECSA-N 2 1 363.571 3.392 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000555011022 505327795 /nfs/dbraw/zinc/32/77/95/505327795.db2.gz JZANIHXVQNWKJO-FQEVSTJZSA-N 2 1 357.542 3.380 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)CC1 ZINC000551908426 505339660 /nfs/dbraw/zinc/33/96/60/505339660.db2.gz QTFLQYQFLCJECR-MSOLQXFVSA-N 2 1 357.542 3.405 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000555210154 505380641 /nfs/dbraw/zinc/38/06/41/505380641.db2.gz YUXKETZRRPPINN-UXHICEINSA-N 2 1 372.557 3.023 20 0 FGADMP O=C(C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)NCC[NH+]1CCCCCC1 ZINC000552065286 505388117 /nfs/dbraw/zinc/38/81/17/505388117.db2.gz OJJCDLMMOGVQLW-UHFFFAOYSA-N 2 1 373.472 3.168 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000567197065 505391879 /nfs/dbraw/zinc/39/18/79/505391879.db2.gz HRWDVTVLNIRNAT-GOSISDBHSA-N 2 1 363.889 3.153 20 0 FGADMP COc1c(Br)cccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000552110905 505404188 /nfs/dbraw/zinc/40/41/88/505404188.db2.gz GVUOUWAWCJINEY-QGZVFWFLSA-N 2 1 353.304 3.375 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000552356258 505470677 /nfs/dbraw/zinc/47/06/77/505470677.db2.gz KHVHWSVIDQTZNK-HSZRJFAPSA-N 2 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000552356258 505470680 /nfs/dbraw/zinc/47/06/80/505470680.db2.gz KHVHWSVIDQTZNK-HSZRJFAPSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000552356258 505470683 /nfs/dbraw/zinc/47/06/83/505470683.db2.gz KHVHWSVIDQTZNK-HSZRJFAPSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000552356258 505470685 /nfs/dbraw/zinc/47/06/85/505470685.db2.gz KHVHWSVIDQTZNK-HSZRJFAPSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)CC1 ZINC000552356258 505470687 /nfs/dbraw/zinc/47/06/87/505470687.db2.gz KHVHWSVIDQTZNK-HSZRJFAPSA-N 3 1 370.585 3.136 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561953249 505476973 /nfs/dbraw/zinc/47/69/73/505476973.db2.gz NHJNDDCAMNWKJA-JTJHWIPRSA-N 2 1 357.542 3.276 20 0 FGADMP COc1ccc(OC(F)F)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000561974725 505482472 /nfs/dbraw/zinc/48/24/72/505482472.db2.gz DJWCNKHHYUDMQK-HNNXBMFYSA-N 2 1 354.441 3.460 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458213 505496341 /nfs/dbraw/zinc/49/63/41/505496341.db2.gz WUOQSLLWERBZKT-RBBKRZOGSA-N 2 1 369.553 3.026 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458213 505496344 /nfs/dbraw/zinc/49/63/44/505496344.db2.gz WUOQSLLWERBZKT-RBBKRZOGSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458213 505496347 /nfs/dbraw/zinc/49/63/47/505496347.db2.gz WUOQSLLWERBZKT-RBBKRZOGSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458213 505496351 /nfs/dbraw/zinc/49/63/51/505496351.db2.gz WUOQSLLWERBZKT-RBBKRZOGSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C2CCC(C(F)F)CC2)c2cccs2)CC1 ZINC000567566757 505500334 /nfs/dbraw/zinc/50/03/34/505500334.db2.gz BKANBDQJIBOPLY-UYSNPLJNSA-N 2 1 357.514 3.450 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564822925 505529891 /nfs/dbraw/zinc/52/98/91/505529891.db2.gz QBYCJWRXBCOUGN-JKSUJKDBSA-N 2 1 350.528 3.053 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564890109 505550526 /nfs/dbraw/zinc/55/05/26/505550526.db2.gz ORAUGIWZJZNNQB-HNNXBMFYSA-N 2 1 371.447 3.128 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000564890109 505550528 /nfs/dbraw/zinc/55/05/28/505550528.db2.gz ORAUGIWZJZNNQB-HNNXBMFYSA-N 2 1 371.447 3.128 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000567801182 505564125 /nfs/dbraw/zinc/56/41/25/505564125.db2.gz CXPQKVYKXFPORB-LBPRGKRZSA-N 2 1 370.324 3.215 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]21 ZINC000567871986 505569593 /nfs/dbraw/zinc/56/95/93/505569593.db2.gz NAQLAJPNIXKZNO-NUEKZKHPSA-N 2 1 357.479 3.098 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@H]21 ZINC000567871986 505569594 /nfs/dbraw/zinc/56/95/94/505569594.db2.gz NAQLAJPNIXKZNO-NUEKZKHPSA-N 2 1 357.479 3.098 20 0 FGADMP CC1(C)CC([NH2+]Cc2cc3c(cc2OC(F)F)OCO3)CC(C)(C)[NH2+]1 ZINC000608053530 506397645 /nfs/dbraw/zinc/39/76/45/506397645.db2.gz BRLUZSOOARYUPF-UHFFFAOYSA-N 2 1 356.413 3.416 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000599324516 506412935 /nfs/dbraw/zinc/41/29/35/506412935.db2.gz ZRZFZONPCBRJNB-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324521 506413458 /nfs/dbraw/zinc/41/34/58/506413458.db2.gz ZTMVHRXTRFBCQY-XMSQKQJNSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324521 506413462 /nfs/dbraw/zinc/41/34/62/506413462.db2.gz ZTMVHRXTRFBCQY-XMSQKQJNSA-N 2 1 365.521 3.161 20 0 FGADMP C[C@@H](CCc1ccccc1F)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000608117152 506425727 /nfs/dbraw/zinc/42/57/27/506425727.db2.gz DFOOQEPTXRTQHE-INIZCTEOSA-N 2 1 370.472 3.180 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCCC[NH+](C)C ZINC000603286610 506476611 /nfs/dbraw/zinc/47/66/11/506476611.db2.gz LOYZVQUYQRIDOM-GOSISDBHSA-N 2 1 361.530 3.011 20 0 FGADMP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C[NH+](C)C)c1 ZINC000603694539 506596845 /nfs/dbraw/zinc/59/68/45/506596845.db2.gz DMTKOVZYZUNJDR-IBGZPJMESA-N 2 1 366.509 3.302 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000608661413 506653551 /nfs/dbraw/zinc/65/35/51/506653551.db2.gz UODALVDBXQGTRD-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CC[N@H+]1C ZINC000608684898 506664499 /nfs/dbraw/zinc/66/44/99/506664499.db2.gz BHJRDLLFUMMRBX-HLAWJBBLSA-N 2 1 372.557 3.338 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000583235595 506664567 /nfs/dbraw/zinc/66/45/67/506664567.db2.gz FLLWQHBPFCDEJE-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000583235595 506664570 /nfs/dbraw/zinc/66/45/70/506664570.db2.gz FLLWQHBPFCDEJE-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000583235595 506664573 /nfs/dbraw/zinc/66/45/73/506664573.db2.gz FLLWQHBPFCDEJE-RTBURBONSA-N 2 1 374.573 3.446 20 0 FGADMP CC[NH+](Cc1ccc(C[N@@H+](CC)C[C@H]2CCOC2)cc1)C[C@H]1CCOC1 ZINC000604054181 506700697 /nfs/dbraw/zinc/70/06/97/506700697.db2.gz YFNCYKIMMODPPU-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325212 506719052 /nfs/dbraw/zinc/71/90/52/506719052.db2.gz FJWOCOYZTCQTQP-CHWSQXEVSA-N 2 1 353.297 3.463 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325212 506719058 /nfs/dbraw/zinc/71/90/58/506719058.db2.gz FJWOCOYZTCQTQP-CHWSQXEVSA-N 2 1 353.297 3.463 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000604171466 506734224 /nfs/dbraw/zinc/73/42/24/506734224.db2.gz NUINIBVQJFKXDR-UXHICEINSA-N 2 1 374.573 3.331 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@H+](C)CC4)CC1 ZINC000612797013 506751717 /nfs/dbraw/zinc/75/17/17/506751717.db2.gz UIFJZVUYJOFRSZ-UHFFFAOYSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)c2ccc3[nH]c4c(c3c2)C[N@@H+](C)CC4)CC1 ZINC000612797013 506751721 /nfs/dbraw/zinc/75/17/21/506751721.db2.gz UIFJZVUYJOFRSZ-UHFFFAOYSA-N 2 1 368.525 3.006 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2o1 ZINC000593730153 506752783 /nfs/dbraw/zinc/75/27/83/506752783.db2.gz KVQLZCCGLNVTDN-ZHALLVOQSA-N 2 1 372.465 3.080 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000600137644 506798354 /nfs/dbraw/zinc/79/83/54/506798354.db2.gz CPDHPPZAKROCKL-IEBWSBKVSA-N 2 1 367.493 3.259 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600137644 506798357 /nfs/dbraw/zinc/79/83/57/506798357.db2.gz CPDHPPZAKROCKL-IEBWSBKVSA-N 2 1 367.493 3.259 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594316882 507077513 /nfs/dbraw/zinc/07/75/13/507077513.db2.gz GQGXUEPWXTWJPE-HDICACEKSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594316882 507077520 /nfs/dbraw/zinc/07/75/20/507077520.db2.gz GQGXUEPWXTWJPE-HDICACEKSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594316882 507077528 /nfs/dbraw/zinc/07/75/28/507077528.db2.gz GQGXUEPWXTWJPE-HDICACEKSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000605202575 507108713 /nfs/dbraw/zinc/10/87/13/507108713.db2.gz MREXHLGDEPZEDA-XLIONFOSSA-N 2 1 374.529 3.074 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096778 507113082 /nfs/dbraw/zinc/11/30/82/507113082.db2.gz AQQINWWLHBWVNE-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096778 507113088 /nfs/dbraw/zinc/11/30/88/507113088.db2.gz AQQINWWLHBWVNE-RBUKOAKNSA-N 2 1 363.933 3.468 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2c(C)cccc2C)CC1 ZINC000613491355 507117628 /nfs/dbraw/zinc/11/76/28/507117628.db2.gz PAUZJCZNIOMDAL-NRFANRHFSA-N 2 1 362.558 3.487 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCCn2ccnc2)C1 ZINC000591139459 507129440 /nfs/dbraw/zinc/12/94/40/507129440.db2.gz WVRVFSZSYYCRDH-KDURUIRLSA-N 2 1 368.525 3.458 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000600888455 507162666 /nfs/dbraw/zinc/16/26/66/507162666.db2.gz WNXZDNKWPYYPHI-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(=O)OC(C)(C)C ZINC000594512099 507163532 /nfs/dbraw/zinc/16/35/32/507163532.db2.gz IDOAEVFOUPVVRY-INIZCTEOSA-N 2 1 364.505 3.400 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000605506421 507223568 /nfs/dbraw/zinc/22/35/68/507223568.db2.gz RXMNICSYGYTAQN-KRWDZBQOSA-N 2 1 367.493 3.012 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000605506421 507223570 /nfs/dbraw/zinc/22/35/70/507223570.db2.gz RXMNICSYGYTAQN-KRWDZBQOSA-N 2 1 367.493 3.012 20 0 FGADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000601003534 507223963 /nfs/dbraw/zinc/22/39/63/507223963.db2.gz JTPFXDUSNYMNJJ-IBGZPJMESA-N 2 1 363.933 3.153 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591456244 507257554 /nfs/dbraw/zinc/25/75/54/507257554.db2.gz HFAOZPCVWRWKQF-ZWKOTPCHSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C)[N@H+](C)C1CC1 ZINC000591456244 507257556 /nfs/dbraw/zinc/25/75/56/507257556.db2.gz HFAOZPCVWRWKQF-ZWKOTPCHSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000591456244 507257558 /nfs/dbraw/zinc/25/75/58/507257558.db2.gz HFAOZPCVWRWKQF-ZWKOTPCHSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000605959242 507311798 /nfs/dbraw/zinc/31/17/98/507311798.db2.gz IBCALWKTOWYQAW-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000605959242 507311802 /nfs/dbraw/zinc/31/18/02/507311802.db2.gz IBCALWKTOWYQAW-PMACEKPBSA-N 2 1 372.557 3.024 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@H]21 ZINC000584720327 507470388 /nfs/dbraw/zinc/47/03/88/507470388.db2.gz GBDPWMDOBGAFSX-PWRODBHTSA-N 2 1 363.505 3.275 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@H]21 ZINC000584720327 507470395 /nfs/dbraw/zinc/47/03/95/507470395.db2.gz GBDPWMDOBGAFSX-PWRODBHTSA-N 2 1 363.505 3.275 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC[NH+](C)CC1 ZINC000606702065 507487671 /nfs/dbraw/zinc/48/76/71/507487671.db2.gz PFPMLCAEIVBDMF-GOSISDBHSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614779777 507650674 /nfs/dbraw/zinc/65/06/74/507650674.db2.gz LQHYIQPRCWSNOT-AWEZNQCLSA-N 2 1 369.387 3.355 20 0 FGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614779777 507650681 /nfs/dbraw/zinc/65/06/81/507650681.db2.gz LQHYIQPRCWSNOT-AWEZNQCLSA-N 2 1 369.387 3.355 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433662 507655048 /nfs/dbraw/zinc/65/50/48/507655048.db2.gz OFTNTHRUZKCPDQ-UXHICEINSA-N 2 1 374.525 3.067 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000586855586 507694311 /nfs/dbraw/zinc/69/43/11/507694311.db2.gz YGNIDINCNFIXJK-QZTJIDSGSA-N 2 1 372.557 3.058 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](CCC)CC1 ZINC000595810063 507697776 /nfs/dbraw/zinc/69/77/76/507697776.db2.gz IQQQHZYTCHCHEU-IBGZPJMESA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669117922 568038504 /nfs/dbraw/zinc/03/85/04/568038504.db2.gz WWOYBJMHMNRKKA-YLJYHZDGSA-N 2 1 358.530 3.002 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419051 608882517 /nfs/dbraw/zinc/88/25/17/608882517.db2.gz FHTGPDAAXJUGSJ-UHFFFAOYSA-N 2 1 368.529 3.201 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000090402393 700402535 /nfs/dbraw/zinc/40/25/35/700402535.db2.gz NOTJBOFJVSZYIL-VQIMIIECSA-N 2 1 358.555 3.481 20 0 FGADMP CCc1nn(C)c(Cl)c1C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000093769392 700454208 /nfs/dbraw/zinc/45/42/08/700454208.db2.gz XJCDJASSZKRLQJ-UHFFFAOYSA-N 2 1 370.969 3.206 20 0 FGADMP CN(CC[N@@H+](C)Cc1cc(Cl)nc2ccccc12)C1CC[NH+](C)CC1 ZINC000129513038 700788738 /nfs/dbraw/zinc/78/87/38/700788738.db2.gz PXICMHQXTCPLEN-UHFFFAOYSA-N 2 1 360.933 3.346 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953928 705479692 /nfs/dbraw/zinc/47/96/92/705479692.db2.gz IAIHEOBLDRJSEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953928 705479694 /nfs/dbraw/zinc/47/96/94/705479694.db2.gz IAIHEOBLDRJSEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953928 705479696 /nfs/dbraw/zinc/47/96/96/705479696.db2.gz IAIHEOBLDRJSEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953928 705479698 /nfs/dbraw/zinc/47/96/98/705479698.db2.gz IAIHEOBLDRJSEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cccc(Br)c1 ZINC000173953928 705479701 /nfs/dbraw/zinc/47/97/01/705479701.db2.gz IAIHEOBLDRJSEE-SJORKVTESA-N 2 1 355.320 3.289 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191559451 712838990 /nfs/dbraw/zinc/83/89/90/712838990.db2.gz LNWACVYABYUCPN-UHFFFAOYSA-N 2 1 368.909 3.096 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000191559451 712838992 /nfs/dbraw/zinc/83/89/92/712838992.db2.gz LNWACVYABYUCPN-UHFFFAOYSA-N 2 1 368.909 3.096 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000247169172 713636320 /nfs/dbraw/zinc/63/63/20/713636320.db2.gz QYBKHXODXIABOV-RYRKJORJSA-N 2 1 351.535 3.144 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555435 713653415 /nfs/dbraw/zinc/65/34/15/713653415.db2.gz KMBDVJQULYMMMX-WMLDXEAASA-N 2 1 373.310 3.428 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555435 713653418 /nfs/dbraw/zinc/65/34/18/713653418.db2.gz KMBDVJQULYMMMX-WMLDXEAASA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555435 713653421 /nfs/dbraw/zinc/65/34/21/713653421.db2.gz KMBDVJQULYMMMX-WMLDXEAASA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555435 713653424 /nfs/dbraw/zinc/65/34/24/713653424.db2.gz KMBDVJQULYMMMX-WMLDXEAASA-N 2 1 373.310 3.428 20 0 FGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262029383 713717511 /nfs/dbraw/zinc/71/75/11/713717511.db2.gz NWNDDUYAAQKYJJ-SFHVURJKSA-N 2 1 364.917 3.473 20 0 FGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)c(Cl)cc1Cl ZINC000641803209 717931150 /nfs/dbraw/zinc/93/11/50/717931150.db2.gz BOOWFKUYVITSFL-NEPJUHHUSA-N 2 1 350.677 3.301 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000374815716 713945728 /nfs/dbraw/zinc/94/57/28/713945728.db2.gz PLMGEINYKJLFRE-HXUWFJFHSA-N 2 1 351.485 3.112 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](F)(c3ccccc3F)C2)CC1 ZINC000374815716 713945730 /nfs/dbraw/zinc/94/57/30/713945730.db2.gz PLMGEINYKJLFRE-HXUWFJFHSA-N 2 1 351.485 3.112 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000385246343 713983097 /nfs/dbraw/zinc/98/30/97/713983097.db2.gz OOLVEXPTSKDKGW-UHFFFAOYSA-N 2 1 351.535 3.240 20 0 FGADMP C[C@@H]1CC[C@](CO)([NH+](C)CCCCC[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495250171 714105989 /nfs/dbraw/zinc/10/59/89/714105989.db2.gz PUZQDXUTXBVJRD-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@](CO)([N@@H+](C)CCCCC[NH+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495250171 714105995 /nfs/dbraw/zinc/10/59/95/714105995.db2.gz PUZQDXUTXBVJRD-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@](CO)([N@H+](C)CCCCC[NH+](C)[C@@]2(CO)CC[C@H](C)C2)C1 ZINC000495250171 714105999 /nfs/dbraw/zinc/10/59/99/714105999.db2.gz PUZQDXUTXBVJRD-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000642630908 717985689 /nfs/dbraw/zinc/98/56/89/717985689.db2.gz QPRSQXCHIPQCLG-NUEKZKHPSA-N 2 1 365.905 3.282 20 0 FGADMP CCN(CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1CC1 ZINC000617866345 714697866 /nfs/dbraw/zinc/69/78/66/714697866.db2.gz JHOFAKZMAVAKAU-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP CC[N@H+](CC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C1CC1 ZINC000617866345 714697871 /nfs/dbraw/zinc/69/78/71/714697871.db2.gz JHOFAKZMAVAKAU-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP CC[N@@H+](CC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1)C1CC1 ZINC000617866345 714697873 /nfs/dbraw/zinc/69/78/73/714697873.db2.gz JHOFAKZMAVAKAU-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP CC[NH+](CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)C1CC1 ZINC000617866345 714697876 /nfs/dbraw/zinc/69/78/76/714697876.db2.gz JHOFAKZMAVAKAU-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP CC[NH+](CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1CC1 ZINC000617866345 714697879 /nfs/dbraw/zinc/69/78/79/714697879.db2.gz JHOFAKZMAVAKAU-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547099 714756381 /nfs/dbraw/zinc/75/63/81/714756381.db2.gz BNYFWZLJYLZQAA-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399249 715327340 /nfs/dbraw/zinc/32/73/40/715327340.db2.gz CZHQMBHTSSKPJV-JKSUJKDBSA-N 2 1 366.347 3.490 20 0 FGADMP COc1cc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc(Br)c1OC ZINC000623404734 715329049 /nfs/dbraw/zinc/32/90/49/715329049.db2.gz IUZWJVJNWWYSOE-ZDUSSCGKSA-N 2 1 371.319 3.429 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc(Br)c1OC ZINC000623404734 715329057 /nfs/dbraw/zinc/32/90/57/715329057.db2.gz IUZWJVJNWWYSOE-ZDUSSCGKSA-N 2 1 371.319 3.429 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420825 715332287 /nfs/dbraw/zinc/33/22/87/715332287.db2.gz PLOLFAQKLYQSOZ-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454519 715339899 /nfs/dbraw/zinc/33/98/99/715339899.db2.gz ILLQLTOISQBTBK-RDJZCZTQSA-N 2 1 358.448 3.319 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(F)c3Cl)cc2)C1 ZINC000623563519 715362327 /nfs/dbraw/zinc/36/23/27/715362327.db2.gz APBCXMNUJAXQQB-OAHLLOKOSA-N 2 1 366.839 3.475 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)ccc(F)c3Cl)cc2)C1 ZINC000623563519 715362330 /nfs/dbraw/zinc/36/23/30/715362330.db2.gz APBCXMNUJAXQQB-OAHLLOKOSA-N 2 1 366.839 3.475 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCCc2scnc21 ZINC000623957473 715439766 /nfs/dbraw/zinc/43/97/66/715439766.db2.gz KQQNCTBECZBVPW-ROUUACIJSA-N 2 1 357.523 3.267 20 0 FGADMP CN1CCO[C@H]([C@@H](NC[C@H]2CCCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000624122585 715477613 /nfs/dbraw/zinc/47/76/13/715477613.db2.gz WDOOKMVCKQVTEJ-UXPWSPDFSA-N 2 1 365.949 3.033 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CCC(F)(F)CC1 ZINC000625022835 715644007 /nfs/dbraw/zinc/64/40/07/715644007.db2.gz COICKLLANVMFPY-KRWDZBQOSA-N 2 1 359.505 3.077 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779394412 724411349 /nfs/dbraw/zinc/41/13/49/724411349.db2.gz WRZYEILPNKZGDN-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP CC1(C)C[NH+](CCCCCCCCC[N@H+]2C[C@H](O)C(C)(C)C2)C[C@@H]1O ZINC000790448479 723141272 /nfs/dbraw/zinc/14/12/72/723141272.db2.gz BNERMLLWIVKFHI-OALUTQOASA-N 2 1 354.579 3.123 20 0 FGADMP C[N@H+](Cc1csc(C(F)(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278969 716134787 /nfs/dbraw/zinc/13/47/87/716134787.db2.gz OLYXXJHLHMHZOV-HNNXBMFYSA-N 2 1 361.477 3.367 20 0 FGADMP C[N@@H+](Cc1csc(C(F)(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278969 716134788 /nfs/dbraw/zinc/13/47/88/716134788.db2.gz OLYXXJHLHMHZOV-HNNXBMFYSA-N 2 1 361.477 3.367 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1C(F)(F)F ZINC000629566745 716310001 /nfs/dbraw/zinc/31/00/01/716310001.db2.gz NVWLRMJWMNZYKA-RYUDHWBXSA-N 2 1 374.432 3.190 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1C(F)(F)F ZINC000629566745 716310016 /nfs/dbraw/zinc/31/00/16/716310016.db2.gz NVWLRMJWMNZYKA-RYUDHWBXSA-N 2 1 374.432 3.190 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000629588669 716314587 /nfs/dbraw/zinc/31/45/87/716314587.db2.gz LKNTZUDZPCISQR-AYWYSENESA-N 2 1 356.897 3.061 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000629588669 716314594 /nfs/dbraw/zinc/31/45/94/716314594.db2.gz LKNTZUDZPCISQR-AYWYSENESA-N 2 1 356.897 3.061 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657354 716331545 /nfs/dbraw/zinc/33/15/45/716331545.db2.gz WWXNQWKPHWAXQB-ZBFHGGJFSA-N 2 1 352.404 3.046 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657354 716331549 /nfs/dbraw/zinc/33/15/49/716331549.db2.gz WWXNQWKPHWAXQB-ZBFHGGJFSA-N 2 1 352.404 3.046 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000631057326 716556448 /nfs/dbraw/zinc/55/64/48/716556448.db2.gz UNSNJSIQAGGDBG-OAHLLOKOSA-N 2 1 365.568 3.395 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000631057326 716556450 /nfs/dbraw/zinc/55/64/50/716556450.db2.gz UNSNJSIQAGGDBG-OAHLLOKOSA-N 2 1 365.568 3.395 20 0 FGADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136919 717411536 /nfs/dbraw/zinc/41/15/36/717411536.db2.gz PBAIYZFBOKXXTQ-WIYYLYMNSA-N 2 1 353.595 3.176 20 0 FGADMP CC[C@@H](C)[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136919 717411539 /nfs/dbraw/zinc/41/15/39/717411539.db2.gz PBAIYZFBOKXXTQ-WIYYLYMNSA-N 3 1 353.595 3.176 20 0 FGADMP CC[C@@H](C)[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136919 717411543 /nfs/dbraw/zinc/41/15/43/717411543.db2.gz PBAIYZFBOKXXTQ-WIYYLYMNSA-N 3 1 353.595 3.176 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000644521960 718117754 /nfs/dbraw/zinc/11/77/54/718117754.db2.gz JTBOLNFMQLRTTI-IRXDYDNUSA-N 2 1 354.922 3.181 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521986 718118052 /nfs/dbraw/zinc/11/80/52/718118052.db2.gz MSIQOWWNUWTWOB-SJLPKXTDSA-N 2 1 354.922 3.181 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644573777 718127449 /nfs/dbraw/zinc/12/74/49/718127449.db2.gz KYYRWPAIMHEDJY-CQSZACIVSA-N 2 1 372.296 3.308 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126609 724488128 /nfs/dbraw/zinc/48/81/28/724488128.db2.gz ARAORJLBUSEYGY-QGZVFWFLSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000647497698 718364264 /nfs/dbraw/zinc/36/42/64/718364264.db2.gz RQFFLCWODHMLSM-GOEBONIOSA-N 2 1 352.404 3.450 20 0 FGADMP Cc1sc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977673 718391716 /nfs/dbraw/zinc/39/17/16/718391716.db2.gz FYINONDJNIGXIN-CABCVRRESA-N 2 1 360.527 3.225 20 0 FGADMP Cc1sc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)[nH]c(=O)c2c1C ZINC000647977673 718391717 /nfs/dbraw/zinc/39/17/17/718391717.db2.gz FYINONDJNIGXIN-CABCVRRESA-N 2 1 360.527 3.225 20 0 FGADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586024 718438142 /nfs/dbraw/zinc/43/81/42/718438142.db2.gz SLWPHRLVAGZVCE-YWZLYKJASA-N 2 1 351.485 3.169 20 0 FGADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648586021 718438324 /nfs/dbraw/zinc/43/83/24/718438324.db2.gz SLWPHRLVAGZVCE-FOIQADDNSA-N 2 1 351.485 3.169 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278609 718500850 /nfs/dbraw/zinc/50/08/50/718500850.db2.gz PXYOLLWXSSFPKL-OALUTQOASA-N 2 1 357.885 3.293 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649288471 718501120 /nfs/dbraw/zinc/50/11/20/718501120.db2.gz TWHZFNARCSXHBG-LJQANCHMSA-N 2 1 359.901 3.496 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000649306878 718502821 /nfs/dbraw/zinc/50/28/21/718502821.db2.gz WFVFGPLMZKBBSX-LJQANCHMSA-N 2 1 359.901 3.496 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705860 718717212 /nfs/dbraw/zinc/71/72/12/718717212.db2.gz ZAONWZMPBOSSBY-FRFSOERESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)cc3F)C2)C1 ZINC000650705860 718717214 /nfs/dbraw/zinc/71/72/14/718717214.db2.gz ZAONWZMPBOSSBY-FRFSOERESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000650721884 718719929 /nfs/dbraw/zinc/71/99/29/718719929.db2.gz FAHYUVNGDQGMHY-KWCYVHTRSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723257 718720530 /nfs/dbraw/zinc/72/05/30/718720530.db2.gz KKPPDPYDFURYDN-OIISXLGYSA-N 2 1 358.404 3.446 20 0 FGADMP CC[N@@H+](CCC[NH2+]C1CCC(CS(C)(=O)=O)CC1)C1CCCCC1 ZINC000651910078 718888505 /nfs/dbraw/zinc/88/85/05/718888505.db2.gz GKEUOMVCLGDUAO-UHFFFAOYSA-N 2 1 358.592 3.224 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2 ZINC000652352599 718935870 /nfs/dbraw/zinc/93/58/70/718935870.db2.gz CUDVNTWEJDXNOT-XZOAIXRZSA-N 2 1 368.308 3.160 20 0 FGADMP COc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655724116 719329834 /nfs/dbraw/zinc/32/98/34/719329834.db2.gz VUBJCKLYGBSHQD-GOSISDBHSA-N 2 1 352.906 3.124 20 0 FGADMP Fc1cc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000655771819 719337411 /nfs/dbraw/zinc/33/74/11/719337411.db2.gz GRRBQSPYCATOAR-INIZCTEOSA-N 2 1 356.869 3.091 20 0 FGADMP COC[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655773133 719337967 /nfs/dbraw/zinc/33/79/67/719337967.db2.gz RRNOJMLLKQFBPR-FXAWDEMLSA-N 2 1 366.933 3.303 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(OC3CC3)c2F)C[C@H](C)O1 ZINC000657368516 719634700 /nfs/dbraw/zinc/63/47/00/719634700.db2.gz XZPZEVLNFCLCPI-IYBDPMFKSA-N 2 1 350.478 3.346 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C2CC(CF)(CF)C2)[C@@H](c2ccccc2)C1 ZINC000657833509 719718832 /nfs/dbraw/zinc/71/88/32/719718832.db2.gz GHKGUOYCZQKMSM-LJQANCHMSA-N 2 1 351.485 3.043 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230271 719772067 /nfs/dbraw/zinc/77/20/67/719772067.db2.gz XKHLGPVAFVYZJU-DYXWJJEUSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230271 719772070 /nfs/dbraw/zinc/77/20/70/719772070.db2.gz XKHLGPVAFVYZJU-DYXWJJEUSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230271 719772074 /nfs/dbraw/zinc/77/20/74/719772074.db2.gz XKHLGPVAFVYZJU-DYXWJJEUSA-N 2 1 351.579 3.120 20 0 FGADMP CO[C@H](C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993705 /nfs/dbraw/zinc/99/37/05/719993705.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@H](C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993706 /nfs/dbraw/zinc/99/37/06/719993706.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@H](C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124246 719993710 /nfs/dbraw/zinc/99/37/10/719993710.db2.gz GPCMFSVUDFRCOY-PWRODBHTSA-N 2 1 352.563 3.403 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338948 720032829 /nfs/dbraw/zinc/03/28/29/720032829.db2.gz NSTJUPUPRLRRHR-IAGOWNOFSA-N 2 1 366.575 3.303 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(O)CCSCC3)C2)s1 ZINC000660497953 720060550 /nfs/dbraw/zinc/06/05/50/720060550.db2.gz UULKNYHMGYIGCC-MRXNPFEDSA-N 2 1 354.585 3.068 20 0 FGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535383 720069764 /nfs/dbraw/zinc/06/97/64/720069764.db2.gz JCJQLKAIBLQZSC-NVXWUHKLSA-N 2 1 360.420 3.327 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535383 720069768 /nfs/dbraw/zinc/06/97/68/720069768.db2.gz JCJQLKAIBLQZSC-NVXWUHKLSA-N 2 1 360.420 3.327 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000660654052 720090885 /nfs/dbraw/zinc/09/08/85/720090885.db2.gz CFOYBPKXVVDGCB-SFHVURJKSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C2 ZINC000660654052 720090891 /nfs/dbraw/zinc/09/08/91/720090891.db2.gz CFOYBPKXVVDGCB-SFHVURJKSA-N 2 1 353.869 3.225 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659897 720094267 /nfs/dbraw/zinc/09/42/67/720094267.db2.gz SARWNMQYLJTMSV-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659897 720094275 /nfs/dbraw/zinc/09/42/75/720094275.db2.gz SARWNMQYLJTMSV-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659897 720094284 /nfs/dbraw/zinc/09/42/84/720094284.db2.gz SARWNMQYLJTMSV-FUHWJXTLSA-N 2 1 356.432 3.027 20 0 FGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809131 720126326 /nfs/dbraw/zinc/12/63/26/720126326.db2.gz HGRKNLUSZQBWLG-WIYYLYMNSA-N 2 1 359.514 3.054 20 0 FGADMP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000662450856 720429802 /nfs/dbraw/zinc/42/98/02/720429802.db2.gz HCYGUNNWAGVSAE-MRXNPFEDSA-N 2 1 358.313 3.072 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483622 720433713 /nfs/dbraw/zinc/43/37/13/720433713.db2.gz XGNSIXSRMRPHFU-MLGOLLRUSA-N 2 1 358.313 3.054 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483622 720433715 /nfs/dbraw/zinc/43/37/15/720433715.db2.gz XGNSIXSRMRPHFU-MLGOLLRUSA-N 2 1 358.313 3.054 20 0 FGADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)C1([NH2+]C2CC2)CCC1 ZINC000662678401 720451953 /nfs/dbraw/zinc/45/19/53/720451953.db2.gz FDQXYVDOGQCRTE-SFHVURJKSA-N 2 1 361.917 3.268 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455802 720516963 /nfs/dbraw/zinc/51/69/63/720516963.db2.gz URALFDJEQXPGFM-PBHICJAKSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455802 720516964 /nfs/dbraw/zinc/51/69/64/720516964.db2.gz URALFDJEQXPGFM-PBHICJAKSA-N 2 1 366.937 3.115 20 0 FGADMP Cc1cc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000665267046 720748698 /nfs/dbraw/zinc/74/86/98/720748698.db2.gz ORGIZUMZNUSFCG-IACUBPJLSA-N 2 1 359.333 3.066 20 0 FGADMP FC(F)Oc1cccc(Cl)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666978956 721008323 /nfs/dbraw/zinc/00/83/23/721008323.db2.gz NTVABGSQWGONBU-UHFFFAOYSA-N 2 1 373.875 3.247 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4ccncc4s3)CC2)CC1 ZINC000668244627 721262227 /nfs/dbraw/zinc/26/22/27/721262227.db2.gz GQQUTPKQHBKDQI-UHFFFAOYSA-N 2 1 358.555 3.288 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H]1CCCC[NH+]1C)c1ccc(Cl)cc1 ZINC000672053241 721620055 /nfs/dbraw/zinc/62/00/55/721620055.db2.gz YICHWCPHQRBGAI-ZWKOTPCHSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC000672053241 721620056 /nfs/dbraw/zinc/62/00/56/721620056.db2.gz YICHWCPHQRBGAI-ZWKOTPCHSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000672053241 721620057 /nfs/dbraw/zinc/62/00/57/721620057.db2.gz YICHWCPHQRBGAI-ZWKOTPCHSA-N 2 1 351.922 3.323 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165029400 721818125 /nfs/dbraw/zinc/81/81/25/721818125.db2.gz YUQKOHQIHFTQIT-WMQCIHAUSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(C)[nH+]1 ZINC001165029400 721818128 /nfs/dbraw/zinc/81/81/28/721818128.db2.gz YUQKOHQIHFTQIT-WMQCIHAUSA-N 2 1 365.525 3.479 20 0 FGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801608 721916599 /nfs/dbraw/zinc/91/65/99/721916599.db2.gz XKBSDTHIRSXOIO-GOSISDBHSA-N 2 1 355.448 3.306 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@@H+]2C)cc1OC ZINC000678747487 721975579 /nfs/dbraw/zinc/97/55/79/721975579.db2.gz YYDSCOMLGKVZRP-AEFFLSMTSA-N 2 1 350.503 3.245 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCC[N@H+]2C)cc1OC ZINC000678747487 721975580 /nfs/dbraw/zinc/97/55/80/721975580.db2.gz YYDSCOMLGKVZRP-AEFFLSMTSA-N 2 1 350.503 3.245 20 0 FGADMP CCC(C)(CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000680999739 722174656 /nfs/dbraw/zinc/17/46/56/722174656.db2.gz ALQHGGNNOHZKHN-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000685460079 722386024 /nfs/dbraw/zinc/38/60/24/722386024.db2.gz QLXBJKUSIKQXMA-IRXDYDNUSA-N 2 1 366.571 3.401 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802401 722409884 /nfs/dbraw/zinc/40/98/84/722409884.db2.gz IQTKMHWHKGWSQB-KURKYZTESA-N 2 1 353.551 3.391 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000721140141 722419721 /nfs/dbraw/zinc/41/97/21/722419721.db2.gz OOURFCFUTSIVBM-BDXSIMOUSA-N 2 1 351.535 3.096 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2sc3nc(C)nc(C)c3c2C)CC1 ZINC000726977340 722439956 /nfs/dbraw/zinc/43/99/56/722439956.db2.gz QKIRJBUDHNGNLQ-UHFFFAOYSA-N 2 1 362.543 3.207 20 0 FGADMP CCCCCC[N@@H+](C)CC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000731872397 722478791 /nfs/dbraw/zinc/47/87/91/722478791.db2.gz IAQUITUBMKGNGW-HXUWFJFHSA-N 2 1 351.579 3.469 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886326 722539051 /nfs/dbraw/zinc/53/90/51/722539051.db2.gz MDNPHMQJCYKEEU-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886326 722539052 /nfs/dbraw/zinc/53/90/52/722539052.db2.gz MDNPHMQJCYKEEU-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886326 722539053 /nfs/dbraw/zinc/53/90/53/722539053.db2.gz MDNPHMQJCYKEEU-FUHWJXTLSA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/Sc1ccccc1 ZINC000750735137 722779518 /nfs/dbraw/zinc/77/95/18/722779518.db2.gz TXRYYUPQIHLPDC-QIPRVMPFSA-N 2 1 361.555 3.167 20 0 FGADMP CCc1ccc(NC(=S)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000751009973 722790582 /nfs/dbraw/zinc/79/05/82/722790582.db2.gz FKIWVASREPZGRB-LJQANCHMSA-N 2 1 362.587 3.294 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848066 723024438 /nfs/dbraw/zinc/02/44/38/723024438.db2.gz KDLYJTMCAOSWTA-ZOCIIQOWSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848066 723024440 /nfs/dbraw/zinc/02/44/40/723024440.db2.gz KDLYJTMCAOSWTA-ZOCIIQOWSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848066 723024442 /nfs/dbraw/zinc/02/44/42/723024442.db2.gz KDLYJTMCAOSWTA-ZOCIIQOWSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848066 723024444 /nfs/dbraw/zinc/02/44/44/723024444.db2.gz KDLYJTMCAOSWTA-ZOCIIQOWSA-N 2 1 352.881 3.461 20 0 FGADMP Cc1cc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cnc1Cl ZINC000760654420 723076217 /nfs/dbraw/zinc/07/62/17/723076217.db2.gz GWDGSNLTTYLHSY-MRXNPFEDSA-N 2 1 364.946 3.183 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000790748937 723173202 /nfs/dbraw/zinc/17/32/02/723173202.db2.gz RSYCUQSKSSUSCO-CQSZACIVSA-N 2 1 374.497 3.456 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000764594283 723428513 /nfs/dbraw/zinc/42/85/13/723428513.db2.gz NBYGKYVNRUZKNM-CQSZACIVSA-N 2 1 352.910 3.306 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000764639046 723433473 /nfs/dbraw/zinc/43/34/73/723433473.db2.gz CISWUWQNMJGJFG-HNNXBMFYSA-N 2 1 374.497 3.456 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000796947182 723660443 /nfs/dbraw/zinc/66/04/43/723660443.db2.gz IXFSCVZLNQQOFE-BDXSIMOUSA-N 2 1 351.535 3.238 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943777 723977269 /nfs/dbraw/zinc/97/72/69/723977269.db2.gz BDNFKYBFGFZKCI-ZWOKBUDYSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943777 723977274 /nfs/dbraw/zinc/97/72/74/723977274.db2.gz BDNFKYBFGFZKCI-ZWOKBUDYSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943777 723977278 /nfs/dbraw/zinc/97/72/78/723977278.db2.gz BDNFKYBFGFZKCI-ZWOKBUDYSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000799178102 723995435 /nfs/dbraw/zinc/99/54/35/723995435.db2.gz KPVMDDIXJYNQMK-SFHVURJKSA-N 2 1 366.933 3.025 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177052 723995475 /nfs/dbraw/zinc/99/54/75/723995475.db2.gz JFOFBYZVXVMWSS-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP Brc1ccc2c(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000785800912 724938026 /nfs/dbraw/zinc/93/80/26/724938026.db2.gz OEGSLFHVDAGUKF-UONOGXRCSA-N 2 1 362.271 3.272 20 0 FGADMP Brc1ccc2c(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000785800912 724938028 /nfs/dbraw/zinc/93/80/28/724938028.db2.gz OEGSLFHVDAGUKF-UONOGXRCSA-N 2 1 362.271 3.272 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000788243137 725052137 /nfs/dbraw/zinc/05/21/37/725052137.db2.gz IYDVWTBEDWEQCU-BPQIPLTHSA-N 2 1 351.535 3.286 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794398 725096227 /nfs/dbraw/zinc/09/62/27/725096227.db2.gz UEWSDMPFEOMXLH-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794398 725096229 /nfs/dbraw/zinc/09/62/29/725096229.db2.gz UEWSDMPFEOMXLH-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794398 725096233 /nfs/dbraw/zinc/09/62/33/725096233.db2.gz UEWSDMPFEOMXLH-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596210 725250852 /nfs/dbraw/zinc/25/08/52/725250852.db2.gz WSXIBBCLJFWUSF-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596210 725250853 /nfs/dbraw/zinc/25/08/53/725250853.db2.gz WSXIBBCLJFWUSF-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596210 725250854 /nfs/dbraw/zinc/25/08/54/725250854.db2.gz WSXIBBCLJFWUSF-IAGOWNOFSA-N 2 1 353.551 3.438 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809950998 725277881 /nfs/dbraw/zinc/27/78/81/725277881.db2.gz UWIILXFKNBFMTJ-DNVCBOLYSA-N 2 1 367.534 3.214 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812717855 726806185 /nfs/dbraw/zinc/80/61/85/726806185.db2.gz LVIPJMJRTLYSHG-KZNAEPCWSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336120 726862890 /nfs/dbraw/zinc/86/28/90/726862890.db2.gz LRYSVGABQOHOQW-BZSNNMDCSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336120 726862894 /nfs/dbraw/zinc/86/28/94/726862894.db2.gz LRYSVGABQOHOQW-BZSNNMDCSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000813336120 726862898 /nfs/dbraw/zinc/86/28/98/726862898.db2.gz LRYSVGABQOHOQW-BZSNNMDCSA-N 2 1 353.551 3.296 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678369 726992481 /nfs/dbraw/zinc/99/24/81/726992481.db2.gz RZYSODZKSLHCBE-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678369 726992482 /nfs/dbraw/zinc/99/24/82/726992482.db2.gz RZYSODZKSLHCBE-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814678369 726992484 /nfs/dbraw/zinc/99/24/84/726992484.db2.gz RZYSODZKSLHCBE-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP CC(C)C[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642507 727184174 /nfs/dbraw/zinc/18/41/74/727184174.db2.gz BIVGEIGJSAWLSB-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)NC(=O)OC(C)(C)C ZINC000816642507 727184176 /nfs/dbraw/zinc/18/41/76/727184176.db2.gz BIVGEIGJSAWLSB-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642507 727184178 /nfs/dbraw/zinc/18/41/78/727184178.db2.gz BIVGEIGJSAWLSB-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)NC(=O)OC(C)(C)C ZINC000816642507 727184180 /nfs/dbraw/zinc/18/41/80/727184180.db2.gz BIVGEIGJSAWLSB-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1F ZINC000818963630 727331330 /nfs/dbraw/zinc/33/13/30/727331330.db2.gz WCMZNTZOPAACSL-VBQJREDUSA-N 2 1 371.294 3.012 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000818984348 727334441 /nfs/dbraw/zinc/33/44/41/727334441.db2.gz FIAJAFZFPSWONH-WMLDXEAASA-N 2 1 355.320 3.193 20 0 FGADMP COCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819006992 727337040 /nfs/dbraw/zinc/33/70/40/727337040.db2.gz PKSXVJALVIBGQV-KRWDZBQOSA-N 2 1 361.313 3.117 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000819062195 727343323 /nfs/dbraw/zinc/34/33/23/727343323.db2.gz OMJFKRLONQOTJH-QAPCUYQASA-N 2 1 373.324 3.260 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000819152192 727352996 /nfs/dbraw/zinc/35/29/96/727352996.db2.gz NYCNFHSPPFLYRQ-DYVFJYSZSA-N 2 1 373.310 3.189 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(CC1CC1)C1CCCCC1 ZINC000820074627 728964790 /nfs/dbraw/zinc/96/47/90/728964790.db2.gz LKMCEIOGZQEHPB-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(CC1CC1)C1CCCCC1 ZINC000820074627 728964794 /nfs/dbraw/zinc/96/47/94/728964794.db2.gz LKMCEIOGZQEHPB-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@]23C[C@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823414249 729278339 /nfs/dbraw/zinc/27/83/39/729278339.db2.gz SWMCLKNAUAJULG-JXFKEZNVSA-N 2 1 351.535 3.050 20 0 FGADMP Ic1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000843126433 730588830 /nfs/dbraw/zinc/58/88/30/730588830.db2.gz REXLDUKNALCKDN-UONOGXRCSA-N 2 1 370.278 3.113 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128399 730589257 /nfs/dbraw/zinc/58/92/57/730589257.db2.gz XGJDZPHUFLTKJS-NWDGAFQWSA-N 2 1 364.843 3.304 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1Cl ZINC000843128399 730589259 /nfs/dbraw/zinc/58/92/59/730589259.db2.gz XGJDZPHUFLTKJS-NWDGAFQWSA-N 2 1 364.843 3.304 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnc(Cl)n1C ZINC000848528771 731175704 /nfs/dbraw/zinc/17/57/04/731175704.db2.gz PCGCLUPSLRWGEJ-UHFFFAOYSA-N 2 1 350.894 3.084 20 0 FGADMP CC(C)CCNC(=[NH2+])NCCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000849066378 731225352 /nfs/dbraw/zinc/22/53/52/731225352.db2.gz AIOPZNPWZNCFEE-UHFFFAOYSA-N 2 1 365.953 3.012 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cncc(OC)c3)CC2)cs1 ZINC000850130184 731323531 /nfs/dbraw/zinc/32/35/31/731323531.db2.gz FRWZCULWMFRQNM-UHFFFAOYSA-N 2 1 360.527 3.111 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858184348 732190306 /nfs/dbraw/zinc/19/03/06/732190306.db2.gz QRPPXBURONGSRI-QGZVFWFLSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1ccccc1SC[C@H](C)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193233 732288163 /nfs/dbraw/zinc/28/81/63/732288163.db2.gz RZARSUCNDPAYPE-QUCCMNQESA-N 2 1 361.599 3.435 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859212273 732290380 /nfs/dbraw/zinc/29/03/80/732290380.db2.gz MCSLLFHYFAMNEG-AWEZNQCLSA-N 2 1 360.527 3.281 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)sc1C ZINC000859212273 732290386 /nfs/dbraw/zinc/29/03/86/732290386.db2.gz MCSLLFHYFAMNEG-AWEZNQCLSA-N 2 1 360.527 3.281 20 0 FGADMP COC[C@@]1(C)CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000859321289 732309784 /nfs/dbraw/zinc/30/97/84/732309784.db2.gz BDCGCYZDFKIDLX-PMACEKPBSA-N 2 1 370.654 3.412 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862366684 732817123 /nfs/dbraw/zinc/81/71/23/732817123.db2.gz VQZZVRXUZYQYKR-QBPKDAKJSA-N 2 1 353.551 3.483 20 0 FGADMP CC[NH2+][C@@H](C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000863666024 732991825 /nfs/dbraw/zinc/99/18/25/732991825.db2.gz RIXSRZWBHBNGTG-ZDUSSCGKSA-N 2 1 363.893 3.202 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475265 733208958 /nfs/dbraw/zinc/20/89/58/733208958.db2.gz JDCOUVPBAMBISJ-QAPCUYQASA-N 2 1 355.511 3.203 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@@H]3c3cccs3)cnc21 ZINC000865475265 733208963 /nfs/dbraw/zinc/20/89/63/733208963.db2.gz JDCOUVPBAMBISJ-QAPCUYQASA-N 2 1 355.511 3.203 20 0 FGADMP CC(C)(C)c1csc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000865623940 733239971 /nfs/dbraw/zinc/23/99/71/733239971.db2.gz UKRMOCCBCLWJKZ-KRWDZBQOSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1csc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000865623940 733239976 /nfs/dbraw/zinc/23/99/76/733239976.db2.gz UKRMOCCBCLWJKZ-KRWDZBQOSA-N 2 1 359.539 3.297 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467808 733353924 /nfs/dbraw/zinc/35/39/24/733353924.db2.gz QVJBHBBNAOUYNV-PZJWPPBQSA-N 3 1 353.595 3.224 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467808 733353927 /nfs/dbraw/zinc/35/39/27/733353927.db2.gz QVJBHBBNAOUYNV-PZJWPPBQSA-N 2 1 353.595 3.224 20 0 FGADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156058 735596783 /nfs/dbraw/zinc/59/67/83/735596783.db2.gz DGIIWAFZVYYKQP-WMZOPIPTSA-N 2 1 358.592 3.209 20 0 FGADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206806 735737754 /nfs/dbraw/zinc/73/77/54/735737754.db2.gz FVJXCOAEOWKWRQ-UHFFFAOYSA-N 2 1 357.523 3.471 20 0 FGADMP CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873206806 735737758 /nfs/dbraw/zinc/73/77/58/735737758.db2.gz FVJXCOAEOWKWRQ-UHFFFAOYSA-N 2 1 357.523 3.471 20 0 FGADMP COCC[N@@H+](Cc1nc2cc(Cl)ccc2n1C)CC1CC[NH+](C)CC1 ZINC000877664829 736701963 /nfs/dbraw/zinc/70/19/63/736701963.db2.gz YJUWARSCLOIRKA-UHFFFAOYSA-N 2 1 364.921 3.017 20 0 FGADMP COCC[N@H+](Cc1nc2cc(Cl)ccc2n1C)CC1CC[NH+](C)CC1 ZINC000877664829 736701966 /nfs/dbraw/zinc/70/19/66/736701966.db2.gz YJUWARSCLOIRKA-UHFFFAOYSA-N 2 1 364.921 3.017 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878020771 736759084 /nfs/dbraw/zinc/75/90/84/736759084.db2.gz QDLHPPVVALVMIB-CEXWTWQISA-N 2 1 351.579 3.071 20 0 FGADMP CC[N@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058095 736950827 /nfs/dbraw/zinc/95/08/27/736950827.db2.gz ILVCQCWUTBAKIM-UHFFFAOYSA-N 2 1 354.560 3.174 20 0 FGADMP CC[N@@H+](CCCS(=O)(=O)C(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000879058095 736950828 /nfs/dbraw/zinc/95/08/28/736950828.db2.gz ILVCQCWUTBAKIM-UHFFFAOYSA-N 2 1 354.560 3.174 20 0 FGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000879951208 737089156 /nfs/dbraw/zinc/08/91/56/737089156.db2.gz KGUSTEXINXHFND-IBGZPJMESA-N 2 1 350.547 3.303 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCc3ccccc3Br)C2)C1 ZINC000883434750 737566523 /nfs/dbraw/zinc/56/65/23/737566523.db2.gz ZVGGMIIYLCPKDH-JZXOWHBKSA-N 2 1 367.331 3.210 20 0 FGADMP CN(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000886525876 739264879 /nfs/dbraw/zinc/26/48/79/739264879.db2.gz ADRBOQWBAYLYTP-KSZLIROESA-N 2 1 355.448 3.123 20 0 FGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000886707254 739288154 /nfs/dbraw/zinc/28/81/54/739288154.db2.gz CDHIQJLNHUIFIW-SFHVURJKSA-N 2 1 366.933 3.168 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1C(F)(F)F ZINC000892491482 740006311 /nfs/dbraw/zinc/00/63/11/740006311.db2.gz ARWBIMAIHUFHQR-IMJJTQAJSA-N 2 1 362.436 3.113 20 0 FGADMP C[N@@H+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000894748501 742327244 /nfs/dbraw/zinc/32/72/44/742327244.db2.gz MVEHUYCBEPFNDJ-RDGKXADDSA-N 2 1 361.477 3.092 20 0 FGADMP C[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894748501 742327247 /nfs/dbraw/zinc/32/72/47/742327247.db2.gz MVEHUYCBEPFNDJ-RDGKXADDSA-N 2 1 361.477 3.092 20 0 FGADMP C[NH+](C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894748501 742327252 /nfs/dbraw/zinc/32/72/52/742327252.db2.gz MVEHUYCBEPFNDJ-RDGKXADDSA-N 2 1 361.477 3.092 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000894861631 742344363 /nfs/dbraw/zinc/34/43/63/742344363.db2.gz XAGPXFOHNLGPPJ-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CCN1c1cc[nH+]cc1 ZINC000895558528 742425974 /nfs/dbraw/zinc/42/59/74/742425974.db2.gz XKUGCDZUCIELMU-OAHLLOKOSA-N 2 1 351.479 3.311 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CCN1c1cc[nH+]cc1 ZINC000895558528 742425975 /nfs/dbraw/zinc/42/59/75/742425975.db2.gz XKUGCDZUCIELMU-OAHLLOKOSA-N 2 1 351.479 3.311 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3Br)CC2)C1 ZINC000903459057 743853207 /nfs/dbraw/zinc/85/32/07/743853207.db2.gz AERZCHJOESBVAP-HOCLYGCPSA-N 2 1 371.294 3.307 20 0 FGADMP c1cc(-c2nc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)cs2)cs1 ZINC000903510123 743857183 /nfs/dbraw/zinc/85/71/83/743857183.db2.gz PFHIFPRMDHDRND-HDICACEKSA-N 2 1 374.579 3.272 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccnc(-c3ccc(Br)cc3)n1)C2 ZINC000903842174 743887623 /nfs/dbraw/zinc/88/76/23/743887623.db2.gz KVOVKXUYDLNGKD-NUTKFTJISA-N 2 1 373.298 3.218 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1cccs1 ZINC000904655136 743966305 /nfs/dbraw/zinc/96/63/05/743966305.db2.gz QEXSQKGUOHHMRV-MAUKXSAKSA-N 2 1 358.511 3.411 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709561 744045677 /nfs/dbraw/zinc/04/56/77/744045677.db2.gz NRUPJOQBXSDELW-XDNAFOTISA-N 2 1 356.432 3.190 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386059 758909442 /nfs/dbraw/zinc/90/94/42/758909442.db2.gz DZKZXSQLQFMUKN-VDERGJSUSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386201 758909497 /nfs/dbraw/zinc/90/94/97/758909497.db2.gz DHAHSJZKSZQMLX-LUYZLQTOSA-N 2 1 373.360 3.080 20 0 FGADMP CN(C)[C@H](CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(F)(F)F ZINC000922754268 758998037 /nfs/dbraw/zinc/99/80/37/758998037.db2.gz JGCWHSPXIKWKKJ-GOSISDBHSA-N 2 1 357.464 3.166 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372005 759107061 /nfs/dbraw/zinc/10/70/61/759107061.db2.gz DWICHGGKMVAQFR-GDBMZVCRSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389126 759108866 /nfs/dbraw/zinc/10/88/66/759108866.db2.gz TULQCVQQAPDDND-YENGBRFLSA-N 2 1 373.324 3.245 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391398 759109864 /nfs/dbraw/zinc/10/98/64/759109864.db2.gz FEMXULDOYJNZIR-QCSYZSNVSA-N 2 1 373.324 3.388 20 0 FGADMP C[C@@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510908 759136333 /nfs/dbraw/zinc/13/63/33/759136333.db2.gz XZMJLHOPPXEJAP-GHMZBOCLSA-N 2 1 363.811 3.214 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510908 759136339 /nfs/dbraw/zinc/13/63/39/759136339.db2.gz XZMJLHOPPXEJAP-GHMZBOCLSA-N 2 1 363.811 3.214 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCC[C@H]3CCCO)CCCC2)CC1 ZINC000925001224 759430289 /nfs/dbraw/zinc/43/02/89/759430289.db2.gz WTLHWXUVOUBUOX-AZUAARDMSA-N 2 1 352.563 3.331 20 0 FGADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000925775576 759534579 /nfs/dbraw/zinc/53/45/79/759534579.db2.gz HNJNXZVRSSLDII-WCBMZHEXSA-N 2 1 351.260 3.332 20 0 FGADMP Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1Cl ZINC000925892303 759569257 /nfs/dbraw/zinc/56/92/57/759569257.db2.gz PPHTZSUWUSUZAJ-CALCHBBNSA-N 2 1 362.905 3.081 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CCC(C)C)CC1)C(=O)NCc1cccs1 ZINC000926638670 759794616 /nfs/dbraw/zinc/79/46/16/759794616.db2.gz VTZHMYCCUDNIMN-SFHVURJKSA-N 2 1 351.560 3.243 20 0 FGADMP C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926782286 759819989 /nfs/dbraw/zinc/81/99/89/759819989.db2.gz XENITTYFEAFWKH-LBPRGKRZSA-N 2 1 351.292 3.095 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000927005809 759874946 /nfs/dbraw/zinc/87/49/46/759874946.db2.gz PJACHRNKWIHOLX-MIALQEHNSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545142 760889074 /nfs/dbraw/zinc/88/90/74/760889074.db2.gz AGTYSUCJCMRBPS-MUQADHOPSA-N 2 1 354.416 3.195 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545142 760889085 /nfs/dbraw/zinc/88/90/85/760889085.db2.gz AGTYSUCJCMRBPS-MUQADHOPSA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545142 760889099 /nfs/dbraw/zinc/88/90/99/760889099.db2.gz AGTYSUCJCMRBPS-MUQADHOPSA-N 2 1 354.416 3.195 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)CC[C@@H]21 ZINC000931545142 760889109 /nfs/dbraw/zinc/88/91/09/760889109.db2.gz AGTYSUCJCMRBPS-MUQADHOPSA-N 2 1 354.416 3.195 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccccc1Cl ZINC000983705691 763659290 /nfs/dbraw/zinc/65/92/90/763659290.db2.gz ZIVJYRWWSQKXAV-XSDHEKCYSA-N 2 1 363.933 3.226 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001007368135 765589444 /nfs/dbraw/zinc/58/94/44/765589444.db2.gz CNADWWVXAGHWCB-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001007368135 765589452 /nfs/dbraw/zinc/58/94/52/765589452.db2.gz CNADWWVXAGHWCB-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001007368135 765589457 /nfs/dbraw/zinc/58/94/57/765589457.db2.gz CNADWWVXAGHWCB-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001007368135 765589463 /nfs/dbraw/zinc/58/94/63/765589463.db2.gz CNADWWVXAGHWCB-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC001018867245 765846803 /nfs/dbraw/zinc/84/68/03/765846803.db2.gz KGJQHORYRSEDSR-VHDGCEQUSA-N 2 1 370.324 3.024 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001023377297 766035487 /nfs/dbraw/zinc/03/54/87/766035487.db2.gz JIQVTAKPYOXCLW-JFIYKMOQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001023377297 766035494 /nfs/dbraw/zinc/03/54/94/766035494.db2.gz JIQVTAKPYOXCLW-JFIYKMOQSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001023377297 766035503 /nfs/dbraw/zinc/03/55/03/766035503.db2.gz JIQVTAKPYOXCLW-JFIYKMOQSA-N 2 1 363.933 3.008 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC001033833792 766223589 /nfs/dbraw/zinc/22/35/89/766223589.db2.gz LOKDKGOHTIPVOR-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001033833792 766223591 /nfs/dbraw/zinc/22/35/91/766223591.db2.gz LOKDKGOHTIPVOR-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(Cl)cc2)C1 ZINC001033833792 766223595 /nfs/dbraw/zinc/22/35/95/766223595.db2.gz LOKDKGOHTIPVOR-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001046330616 766585594 /nfs/dbraw/zinc/58/55/94/766585594.db2.gz OHRGMJGDXDAZBN-JCKWVBRZSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001046330616 766585603 /nfs/dbraw/zinc/58/56/03/766585603.db2.gz OHRGMJGDXDAZBN-JCKWVBRZSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001046330616 766585614 /nfs/dbraw/zinc/58/56/14/766585614.db2.gz OHRGMJGDXDAZBN-JCKWVBRZSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001046330616 766585625 /nfs/dbraw/zinc/58/56/25/766585625.db2.gz OHRGMJGDXDAZBN-JCKWVBRZSA-N 2 1 369.962 3.212 20 0 FGADMP O=C(C[NH2+]C1(C2CC2)CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000543453142 503777016 /nfs/dbraw/zinc/77/70/16/503777016.db2.gz FPFKPEKBPRTMGD-UHFFFAOYSA-N 2 1 363.505 3.016 20 0 FGADMP CCc1ccc(-c2noc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)n2)cc1 ZINC000573669846 505592417 /nfs/dbraw/zinc/59/24/17/505592417.db2.gz JJVZLUUBTZTWRE-UYAOXDASSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857076 505597230 /nfs/dbraw/zinc/59/72/30/505597230.db2.gz MQHBJCMEIOINJB-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857076 505597231 /nfs/dbraw/zinc/59/72/31/505597231.db2.gz MQHBJCMEIOINJB-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(I)c1 ZINC000570857076 505597233 /nfs/dbraw/zinc/59/72/33/505597233.db2.gz MQHBJCMEIOINJB-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(I)c1 ZINC000570857076 505597234 /nfs/dbraw/zinc/59/72/34/505597234.db2.gz MQHBJCMEIOINJB-IUODEOHRSA-N 2 1 358.267 3.063 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000568056909 505605566 /nfs/dbraw/zinc/60/55/66/505605566.db2.gz GUWMHKXOOQJRAQ-UHFFFAOYSA-N 2 1 371.304 3.121 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000570910002 505609631 /nfs/dbraw/zinc/60/96/31/505609631.db2.gz VYSTUIKJRDTDFI-YWZLYKJASA-N 2 1 350.466 3.074 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000576892322 505618201 /nfs/dbraw/zinc/61/82/01/505618201.db2.gz CLAJRMQRQNRVDM-OALUTQOASA-N 2 1 355.482 3.133 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000576892322 505618203 /nfs/dbraw/zinc/61/82/03/505618203.db2.gz CLAJRMQRQNRVDM-OALUTQOASA-N 2 1 355.482 3.133 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576908103 505620861 /nfs/dbraw/zinc/62/08/61/505620861.db2.gz FELVHPLQHRLQIR-JOCHJYFZSA-N 2 1 367.537 3.449 20 0 FGADMP CC[C@H](CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570981393 505626009 /nfs/dbraw/zinc/62/60/09/505626009.db2.gz LUCMHDZXKZOXHN-LJQANCHMSA-N 2 1 371.569 3.493 20 0 FGADMP CC[C@@H](CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000570981392 505626029 /nfs/dbraw/zinc/62/60/29/505626029.db2.gz LUCMHDZXKZOXHN-IBGZPJMESA-N 2 1 371.569 3.493 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC12CCOCC2 ZINC000579833527 505629391 /nfs/dbraw/zinc/62/93/91/505629391.db2.gz FWPWHTZCQOQGNT-INIZCTEOSA-N 2 1 363.933 3.128 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000573843483 505633636 /nfs/dbraw/zinc/63/36/36/505633636.db2.gz PRDFZQCDVUPYQQ-BURNTYAHSA-N 2 1 355.526 3.017 20 0 FGADMP C(C1CCOCC1)[NH+]1CCCC2(CCC[N@H+](CC3CCOCC3)C2)C1 ZINC000579889112 505639051 /nfs/dbraw/zinc/63/90/51/505639051.db2.gz FVUWIWCDYLOLAX-UHFFFAOYSA-N 2 1 350.547 3.018 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[NH+](C)C ZINC000568259582 505654422 /nfs/dbraw/zinc/65/44/22/505654422.db2.gz FEXXXLPLYFNVTI-AZUAARDMSA-N 2 1 369.509 3.140 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000574038809 505679193 /nfs/dbraw/zinc/67/91/93/505679193.db2.gz OWIRQJOCCPKUCV-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2ccccc12 ZINC000075935782 493796761 /nfs/dbraw/zinc/79/67/61/493796761.db2.gz QVQVVIYAJLVTJX-CALCHBBNSA-N 2 1 368.525 3.259 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc2ccccc12 ZINC000075935782 493796765 /nfs/dbraw/zinc/79/67/65/493796765.db2.gz QVQVVIYAJLVTJX-CALCHBBNSA-N 2 1 368.525 3.259 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000076056899 493814369 /nfs/dbraw/zinc/81/43/69/493814369.db2.gz TYZAYBHTDOCSMO-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000049553913 493875468 /nfs/dbraw/zinc/87/54/68/493875468.db2.gz GYZDUZCZEUTYHR-GFCCVEGCSA-N 2 1 359.308 3.286 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000058887129 493891772 /nfs/dbraw/zinc/89/17/72/493891772.db2.gz DJXNHHSBPWWDIY-GOSISDBHSA-N 2 1 361.530 3.011 20 0 FGADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000568407562 505687255 /nfs/dbraw/zinc/68/72/55/505687255.db2.gz CQYSIEIOQPXNSS-AWEZNQCLSA-N 2 1 372.353 3.469 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)c1ccccc1 ZINC000061636125 493988576 /nfs/dbraw/zinc/98/85/76/493988576.db2.gz LURJJFLJXAQYFC-FQEVSTJZSA-N 2 1 371.550 3.379 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000061745588 493991616 /nfs/dbraw/zinc/99/16/16/493991616.db2.gz BZYYFKXYYLNKRX-UHFFFAOYSA-N 2 1 365.521 3.289 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000062355595 494010364 /nfs/dbraw/zinc/01/03/64/494010364.db2.gz SHSPIZMVDBPQHD-NHCUHLMSSA-N 2 1 351.494 3.243 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000052442090 494026361 /nfs/dbraw/zinc/02/63/61/494026361.db2.gz BXTYOXUPCPHAEU-HXUWFJFHSA-N 2 1 373.541 3.070 20 0 FGADMP O[C@H](CCc1ccccc1)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568450161 505696631 /nfs/dbraw/zinc/69/66/31/505696631.db2.gz LQAHWBNRYSBRNR-TZRRMPRUSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568450161 505696635 /nfs/dbraw/zinc/69/66/35/505696635.db2.gz LQAHWBNRYSBRNR-TZRRMPRUSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568450161 505696639 /nfs/dbraw/zinc/69/66/39/505696639.db2.gz LQAHWBNRYSBRNR-TZRRMPRUSA-N 2 1 364.533 3.434 20 0 FGADMP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000084381571 494067975 /nfs/dbraw/zinc/06/79/75/494067975.db2.gz BDMWNPCCOPTALX-KRWDZBQOSA-N 2 1 363.571 3.293 20 0 FGADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071039846 494081869 /nfs/dbraw/zinc/08/18/69/494081869.db2.gz JRBITQPWIBBTMH-SFHVURJKSA-N 2 1 361.449 3.118 20 0 FGADMP CC(C)[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000580204765 505703339 /nfs/dbraw/zinc/70/33/39/505703339.db2.gz DBMJHSREJRCGJC-UHFFFAOYSA-N 2 1 362.477 3.392 20 0 FGADMP CC(C)[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000580204765 505703340 /nfs/dbraw/zinc/70/33/40/505703340.db2.gz DBMJHSREJRCGJC-UHFFFAOYSA-N 2 1 362.477 3.392 20 0 FGADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000042384987 494220974 /nfs/dbraw/zinc/22/09/74/494220974.db2.gz FRMGNZFLJQHKFZ-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000042384987 494220977 /nfs/dbraw/zinc/22/09/77/494220977.db2.gz FRMGNZFLJQHKFZ-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000066053721 494274288 /nfs/dbraw/zinc/27/42/88/494274288.db2.gz BIBBPYNMJMDDBC-JOCHJYFZSA-N 2 1 365.521 3.318 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000072960748 494291914 /nfs/dbraw/zinc/29/19/14/494291914.db2.gz OXJDRLUSKQPQJK-SFHVURJKSA-N 2 1 372.557 3.235 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000072960753 494292234 /nfs/dbraw/zinc/29/22/34/494292234.db2.gz OXJDRLUSKQPQJK-GOSISDBHSA-N 2 1 372.557 3.235 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000072962130 494292411 /nfs/dbraw/zinc/29/24/11/494292411.db2.gz OXTPMGSBTVBBLZ-UHFFFAOYSA-N 2 1 365.521 3.390 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000073621143 494401139 /nfs/dbraw/zinc/40/11/39/494401139.db2.gz ATDVXVXDFSNJHE-LJQANCHMSA-N 2 1 374.573 3.400 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000073621143 494401145 /nfs/dbraw/zinc/40/11/45/494401145.db2.gz ATDVXVXDFSNJHE-LJQANCHMSA-N 2 1 374.573 3.400 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000073621143 494401149 /nfs/dbraw/zinc/40/11/49/494401149.db2.gz ATDVXVXDFSNJHE-LJQANCHMSA-N 2 1 374.573 3.400 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089934453 494405927 /nfs/dbraw/zinc/40/59/27/494405927.db2.gz HNPOQOOZFOURHB-QZTJIDSGSA-N 2 1 366.937 3.067 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089934453 494405930 /nfs/dbraw/zinc/40/59/30/494405930.db2.gz HNPOQOOZFOURHB-QZTJIDSGSA-N 2 1 366.937 3.067 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000073653720 494407531 /nfs/dbraw/zinc/40/75/31/494407531.db2.gz CAWAJPFEYCRROI-NUJGCVRESA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079170726 494413761 /nfs/dbraw/zinc/41/37/61/494413761.db2.gz CDYHZAFDNZFKOS-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003402 494426186 /nfs/dbraw/zinc/42/61/86/494426186.db2.gz HDDABOVDQSCIMS-HZPDHXFCSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003402 494426190 /nfs/dbraw/zinc/42/61/90/494426190.db2.gz HDDABOVDQSCIMS-HZPDHXFCSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073822212 494435083 /nfs/dbraw/zinc/43/50/83/494435083.db2.gz AZOCWJCGELSYHQ-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073822212 494435087 /nfs/dbraw/zinc/43/50/87/494435087.db2.gz AZOCWJCGELSYHQ-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000073822212 494435091 /nfs/dbraw/zinc/43/50/91/494435091.db2.gz AZOCWJCGELSYHQ-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](C)CC)c2)C1 ZINC000073917963 494448767 /nfs/dbraw/zinc/44/87/67/494448767.db2.gz REOFJWCWFBHJPQ-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)C1 ZINC000073917963 494448769 /nfs/dbraw/zinc/44/87/69/494448769.db2.gz REOFJWCWFBHJPQ-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000073917963 494448772 /nfs/dbraw/zinc/44/87/72/494448772.db2.gz REOFJWCWFBHJPQ-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526252 494478262 /nfs/dbraw/zinc/47/82/62/494478262.db2.gz CTSNZVBIQOUZKU-ZMYBRWDISA-N 2 1 350.478 3.253 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247016 505728999 /nfs/dbraw/zinc/72/89/99/505728999.db2.gz FRRGJGMCHKOYMN-PZJWPPBQSA-N 2 1 363.505 3.345 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247016 505729002 /nfs/dbraw/zinc/72/90/02/505729002.db2.gz FRRGJGMCHKOYMN-PZJWPPBQSA-N 2 1 363.505 3.345 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080055184 494578049 /nfs/dbraw/zinc/57/80/49/494578049.db2.gz VGTNIQBDYATOSI-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000125949066 494585424 /nfs/dbraw/zinc/58/54/24/494585424.db2.gz KGPUHQPKRZYKCW-UHFFFAOYSA-N 2 1 372.488 3.139 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000115794922 494623774 /nfs/dbraw/zinc/62/37/74/494623774.db2.gz FMVCGKSMSZADLI-GOSISDBHSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115794922 494623780 /nfs/dbraw/zinc/62/37/80/494623780.db2.gz FMVCGKSMSZADLI-GOSISDBHSA-N 2 1 360.546 3.010 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000115794922 494623788 /nfs/dbraw/zinc/62/37/88/494623788.db2.gz FMVCGKSMSZADLI-GOSISDBHSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000115796599 494624985 /nfs/dbraw/zinc/62/49/85/494624985.db2.gz VYNCROKJFJGMBH-SJLPKXTDSA-N 2 1 366.575 3.114 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000121191229 494638010 /nfs/dbraw/zinc/63/80/10/494638010.db2.gz IONFNTVUSAHWDV-QGZVFWFLSA-N 2 1 350.503 3.136 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000121191229 494638019 /nfs/dbraw/zinc/63/80/19/494638019.db2.gz IONFNTVUSAHWDV-QGZVFWFLSA-N 2 1 350.503 3.136 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000075007954 494671975 /nfs/dbraw/zinc/67/19/75/494671975.db2.gz SWOZPKRTCQQOJF-UHFFFAOYSA-N 2 1 370.541 3.254 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3=Cc4ccccc4OC3)CC2)C[C@H](C)O1 ZINC000092587317 494677034 /nfs/dbraw/zinc/67/70/34/494677034.db2.gz ZJPDUNQPTCPQNO-HDICACEKSA-N 2 1 356.510 3.284 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000092587065 494678129 /nfs/dbraw/zinc/67/81/29/494678129.db2.gz HUPJSVGXVOXQIM-GJZGRUSLSA-N 2 1 371.447 3.422 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000092587064 494678261 /nfs/dbraw/zinc/67/82/61/494678261.db2.gz HUPJSVGXVOXQIM-GASCZTMLSA-N 2 1 371.447 3.422 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ncccc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000092587064 494678265 /nfs/dbraw/zinc/67/82/65/494678265.db2.gz HUPJSVGXVOXQIM-GASCZTMLSA-N 2 1 371.447 3.422 20 0 FGADMP CC(C)CN(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000092821285 494764747 /nfs/dbraw/zinc/76/47/47/494764747.db2.gz FXPAMIJDJQTTCM-UHFFFAOYSA-N 2 1 372.557 3.267 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)C1CC[NH+](C)CC1 ZINC000092072875 494777609 /nfs/dbraw/zinc/77/76/09/494777609.db2.gz WXSCAANZIKZOPN-IBGZPJMESA-N 2 1 367.541 3.320 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000121485236 494778291 /nfs/dbraw/zinc/77/82/91/494778291.db2.gz UUNINCNQEZCZIN-INIZCTEOSA-N 2 1 351.560 3.369 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2cccs2)CC1 ZINC000121485236 494778294 /nfs/dbraw/zinc/77/82/94/494778294.db2.gz UUNINCNQEZCZIN-INIZCTEOSA-N 2 1 351.560 3.369 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)CC(C)(C)C)cn2)CC1 ZINC000093056802 494818129 /nfs/dbraw/zinc/81/81/29/494818129.db2.gz UHFRGEGFQQYREC-UHFFFAOYSA-N 2 1 367.541 3.277 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)CC(C)(C)C)cn2)CC1 ZINC000093056802 494818130 /nfs/dbraw/zinc/81/81/30/494818130.db2.gz UHFRGEGFQQYREC-UHFFFAOYSA-N 2 1 367.541 3.277 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)cc1F ZINC000126730765 494828200 /nfs/dbraw/zinc/82/82/00/494828200.db2.gz JOZDFVSLIFGVDZ-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP CCCCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000093133164 494831134 /nfs/dbraw/zinc/83/11/34/494831134.db2.gz CMXVHRDQDYFZQA-NRFANRHFSA-N 2 1 359.558 3.467 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000121780868 494859191 /nfs/dbraw/zinc/85/91/91/494859191.db2.gz RIOQBEBCTAIIFO-UHFFFAOYSA-N 2 1 353.445 3.404 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccc(C)nc21 ZINC000132457843 494877690 /nfs/dbraw/zinc/87/76/90/494877690.db2.gz LBYRTAROLVYBBE-IBGZPJMESA-N 2 1 368.525 3.031 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121906056 494886727 /nfs/dbraw/zinc/88/67/27/494886727.db2.gz XZULMCUZIGRGJX-JOCHJYFZSA-N 2 1 371.569 3.396 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122051987 494916343 /nfs/dbraw/zinc/91/63/43/494916343.db2.gz LFQCWQVZMYVINS-HOTGVXAUSA-N 2 1 357.502 3.271 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122051987 494916347 /nfs/dbraw/zinc/91/63/47/494916347.db2.gz LFQCWQVZMYVINS-HOTGVXAUSA-N 2 1 357.502 3.271 20 0 FGADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCS2 ZINC000132743665 494918272 /nfs/dbraw/zinc/91/82/72/494918272.db2.gz WZBXXOMVIYTDNW-KSSFIOAISA-N 2 1 350.503 3.453 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789035 494918317 /nfs/dbraw/zinc/91/83/17/494918317.db2.gz JHNUAJUYNUAWDU-MRXNPFEDSA-N 2 1 363.933 3.277 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2)CC1 ZINC000122117609 494926668 /nfs/dbraw/zinc/92/66/68/494926668.db2.gz VPMXADKLFVTPRM-SFHVURJKSA-N 2 1 361.530 3.084 20 0 FGADMP COc1ccsc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093844238 494926988 /nfs/dbraw/zinc/92/69/88/494926988.db2.gz WHKPFPXNMYBSCC-IYBDPMFKSA-N 2 1 352.544 3.468 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000127479292 494950858 /nfs/dbraw/zinc/95/08/58/494950858.db2.gz LYOSALGIVSRKJQ-OAHLLOKOSA-N 2 1 351.922 3.265 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)o1 ZINC000132975482 494951374 /nfs/dbraw/zinc/95/13/74/494951374.db2.gz LOPAAOSXQXMFRV-OAHLLOKOSA-N 2 1 354.450 3.307 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)o1 ZINC000132975482 494951378 /nfs/dbraw/zinc/95/13/78/494951378.db2.gz LOPAAOSXQXMFRV-OAHLLOKOSA-N 2 1 354.450 3.307 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCOCc1ccccc1 ZINC000127510556 494954775 /nfs/dbraw/zinc/95/47/75/494954775.db2.gz JDUPXVVJKUZORE-HJNYFJLDSA-N 2 1 360.542 3.462 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297574 494997035 /nfs/dbraw/zinc/99/70/35/494997035.db2.gz VKKMMPKAKFOQOG-LJQANCHMSA-N 3 1 358.574 3.039 20 0 FGADMP CCC[N@@H+]1CC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297574 494997036 /nfs/dbraw/zinc/99/70/36/494997036.db2.gz VKKMMPKAKFOQOG-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP CCC[N@H+]1CC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297574 494997038 /nfs/dbraw/zinc/99/70/38/494997038.db2.gz VKKMMPKAKFOQOG-LJQANCHMSA-N 2 1 358.574 3.039 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000133422523 495011713 /nfs/dbraw/zinc/01/17/13/495011713.db2.gz VAYPUTRATUUIRJ-HXUWFJFHSA-N 2 1 372.601 3.427 20 0 FGADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122694301 495017672 /nfs/dbraw/zinc/01/76/72/495017672.db2.gz FZFSGDWEJHZKSP-HXUWFJFHSA-N 2 1 365.949 3.177 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000111453127 495075984 /nfs/dbraw/zinc/07/59/84/495075984.db2.gz ZPYKBMLDZHVXNY-SFHVURJKSA-N 2 1 368.525 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000119058437 495081853 /nfs/dbraw/zinc/08/18/53/495081853.db2.gz LMFJDUSMIKVTGH-UHFFFAOYSA-N 2 1 354.498 3.128 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000119058437 495081857 /nfs/dbraw/zinc/08/18/57/495081857.db2.gz LMFJDUSMIKVTGH-UHFFFAOYSA-N 2 1 354.498 3.128 20 0 FGADMP O=C(C[N@H+]1CCC2(CCC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000123298993 495110086 /nfs/dbraw/zinc/11/00/86/495110086.db2.gz JNTUSOYAGTZJOS-UHFFFAOYSA-N 2 1 359.539 3.050 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000128838882 495157451 /nfs/dbraw/zinc/15/74/51/495157451.db2.gz FQAWVKAQLGHLKE-LAUBAEHRSA-N 2 1 374.573 3.052 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000123961013 495212979 /nfs/dbraw/zinc/21/29/79/495212979.db2.gz JCBKDJIISGYHNV-CYBMUJFWSA-N 2 1 365.905 3.282 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103314377 495218585 /nfs/dbraw/zinc/21/85/85/495218585.db2.gz JQVGMWZEYOXJAM-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129426558 495244534 /nfs/dbraw/zinc/24/45/34/495244534.db2.gz CYKZQVNWYNXNJL-GUXCAODWSA-N 2 1 352.482 3.152 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cnoc3C)CC2)c1C ZINC000129647887 495275178 /nfs/dbraw/zinc/27/51/78/495275178.db2.gz UGQXJHLGILSFFN-UHFFFAOYSA-N 2 1 358.486 3.100 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cnoc3C)CC2)c1C ZINC000129647887 495275182 /nfs/dbraw/zinc/27/51/82/495275182.db2.gz UGQXJHLGILSFFN-UHFFFAOYSA-N 2 1 358.486 3.100 20 0 FGADMP CC(C)[C@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000104302694 495276550 /nfs/dbraw/zinc/27/65/50/495276550.db2.gz JIMQWIXBFPEXIL-OAQYLSRUSA-N 2 1 373.541 3.010 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)[C@@H](C)c3ccccc3)CC2)oc1C ZINC000574445313 505775151 /nfs/dbraw/zinc/77/51/51/505775151.db2.gz YTHNJLVGAFETHM-HRAATJIYSA-N 2 1 371.525 3.258 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083445 495335325 /nfs/dbraw/zinc/33/53/25/495335325.db2.gz CJYMSAMDDZAUPQ-TZIWHRDSSA-N 2 1 374.573 3.489 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124858647 495355492 /nfs/dbraw/zinc/35/54/92/495355492.db2.gz QJEDANAYEUATPT-GOSISDBHSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124858647 495355496 /nfs/dbraw/zinc/35/54/96/495355496.db2.gz QJEDANAYEUATPT-GOSISDBHSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571630277 505777648 /nfs/dbraw/zinc/77/76/48/505777648.db2.gz KOEZXOJWDRMFSO-MOPGFXCFSA-N 2 1 374.573 3.269 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000130372590 495381533 /nfs/dbraw/zinc/38/15/33/495381533.db2.gz SCLRCRBVANOLMM-BZSNNMDCSA-N 2 1 356.432 3.464 20 0 FGADMP COc1cccc2c(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)cc(C)[nH+]c12 ZINC000125147565 495397630 /nfs/dbraw/zinc/39/76/30/495397630.db2.gz IPSWVOTWXINUPD-GOSISDBHSA-N 2 1 368.525 3.158 20 0 FGADMP COc1cccc2c(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc(C)[nH+]c12 ZINC000125147565 495397634 /nfs/dbraw/zinc/39/76/34/495397634.db2.gz IPSWVOTWXINUPD-GOSISDBHSA-N 2 1 368.525 3.158 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000580534188 505780933 /nfs/dbraw/zinc/78/09/33/505780933.db2.gz CIMOYMWSWPNNFP-OALUTQOASA-N 2 1 359.445 3.199 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656831 505784350 /nfs/dbraw/zinc/78/43/50/505784350.db2.gz KLSDZLNQRFASNN-UTKZUKDTSA-N 2 1 368.525 3.259 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000107386002 495526773 /nfs/dbraw/zinc/52/67/73/495526773.db2.gz DRQMESHQIZCZFH-SFHVURJKSA-N 2 1 374.485 3.035 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000144307542 495543459 /nfs/dbraw/zinc/54/34/59/495543459.db2.gz PXKZPBYUMVJSJH-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158594931 495546576 /nfs/dbraw/zinc/54/65/76/495546576.db2.gz VQAQAPOTVQKYSS-TZIWHRDSSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158594931 495546580 /nfs/dbraw/zinc/54/65/80/495546580.db2.gz VQAQAPOTVQKYSS-TZIWHRDSSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158594931 495546584 /nfs/dbraw/zinc/54/65/84/495546584.db2.gz VQAQAPOTVQKYSS-TZIWHRDSSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000158652546 495559614 /nfs/dbraw/zinc/55/96/14/495559614.db2.gz QPNBYOYWSWRGDQ-MFWIUYSUSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000158652546 495559617 /nfs/dbraw/zinc/55/96/17/495559617.db2.gz QPNBYOYWSWRGDQ-MFWIUYSUSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000158652546 495559618 /nfs/dbraw/zinc/55/96/18/495559618.db2.gz QPNBYOYWSWRGDQ-MFWIUYSUSA-N 2 1 363.933 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000158652546 495559621 /nfs/dbraw/zinc/55/96/21/495559621.db2.gz QPNBYOYWSWRGDQ-MFWIUYSUSA-N 2 1 363.933 3.322 20 0 FGADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)cn1C ZINC000571687918 505790904 /nfs/dbraw/zinc/79/09/04/505790904.db2.gz SYTGVOBSJAGHTE-KRWDZBQOSA-N 2 1 366.465 3.134 20 0 FGADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154379996 495599118 /nfs/dbraw/zinc/59/91/18/495599118.db2.gz CEBWXGUOKOPKIC-SJLPKXTDSA-N 2 1 370.459 3.417 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158903612 495612596 /nfs/dbraw/zinc/61/25/96/495612596.db2.gz BXRPETHYXBIOJO-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000182691167 495666284 /nfs/dbraw/zinc/66/62/84/495666284.db2.gz SGHCEIBVDAEXTR-ZWKOTPCHSA-N 2 1 361.534 3.057 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000185661636 495668697 /nfs/dbraw/zinc/66/86/97/495668697.db2.gz HMQGZNANVSNICT-SFHLNBCPSA-N 2 1 360.542 3.286 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sc1C ZINC000185671500 495672879 /nfs/dbraw/zinc/67/28/79/495672879.db2.gz LJHPQGAYHIVTRX-OFQRWUPVSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sc1C ZINC000185671500 495672884 /nfs/dbraw/zinc/67/28/84/495672884.db2.gz LJHPQGAYHIVTRX-OFQRWUPVSA-N 2 1 364.559 3.330 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695526 495683674 /nfs/dbraw/zinc/68/36/74/495683674.db2.gz NXLKRYISZOGNIS-ZWKOTPCHSA-N 2 1 373.541 3.322 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695526 495683683 /nfs/dbraw/zinc/68/36/83/495683683.db2.gz NXLKRYISZOGNIS-ZWKOTPCHSA-N 2 1 373.541 3.322 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721335 495697319 /nfs/dbraw/zinc/69/73/19/495697319.db2.gz STSCYJLYUJIPJM-DOTOQJQBSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721335 495697321 /nfs/dbraw/zinc/69/73/21/495697321.db2.gz STSCYJLYUJIPJM-DOTOQJQBSA-N 2 1 363.933 3.199 20 0 FGADMP C[N@@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)Cc1ccccc1 ZINC000151027959 495715592 /nfs/dbraw/zinc/71/55/92/495715592.db2.gz ZVEHTCTWZUUGST-UHFFFAOYSA-N 2 1 351.538 3.415 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000151096412 495736476 /nfs/dbraw/zinc/73/64/76/495736476.db2.gz FMBFOQJFECITDQ-INIZCTEOSA-N 2 1 363.933 3.266 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000154848364 495747972 /nfs/dbraw/zinc/74/79/72/495747972.db2.gz KTJDXZGPUOLTSW-UHFFFAOYSA-N 2 1 351.922 3.009 20 0 FGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000568904945 505805197 /nfs/dbraw/zinc/80/51/97/505805197.db2.gz OQYTYNFAJTYEJN-OAQYLSRUSA-N 2 1 365.521 3.408 20 0 FGADMP Cc1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000568904945 505805200 /nfs/dbraw/zinc/80/52/00/505805200.db2.gz OQYTYNFAJTYEJN-OAQYLSRUSA-N 2 1 365.521 3.408 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183127165 495845657 /nfs/dbraw/zinc/84/56/57/495845657.db2.gz CKEXFZUTTFGBBO-AKIFATBCSA-N 2 1 366.553 3.470 20 0 FGADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(OC(F)F)cc1 ZINC000171388550 495851966 /nfs/dbraw/zinc/85/19/66/495851966.db2.gz PIPADUXZXYIFRO-UHFFFAOYSA-N 2 1 367.440 3.034 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC000183141216 495852293 /nfs/dbraw/zinc/85/22/93/495852293.db2.gz AFHRDNQPDKQACD-OAHLLOKOSA-N 2 1 359.433 3.039 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000180092282 495854971 /nfs/dbraw/zinc/85/49/71/495854971.db2.gz ACWVRFIHZDENCE-GOSISDBHSA-N 2 1 371.447 3.156 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000177034493 495893251 /nfs/dbraw/zinc/89/32/51/495893251.db2.gz QEELZBBKESWTFJ-RCZSKKKRSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000177034493 495893256 /nfs/dbraw/zinc/89/32/56/495893256.db2.gz QEELZBBKESWTFJ-RCZSKKKRSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000177034493 495893261 /nfs/dbraw/zinc/89/32/61/495893261.db2.gz QEELZBBKESWTFJ-RCZSKKKRSA-N 2 1 360.542 3.105 20 0 FGADMP Cc1cc(C)cc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c1 ZINC000183486177 496005673 /nfs/dbraw/zinc/00/56/73/496005673.db2.gz GLJRPPOSUDKXKJ-LJQANCHMSA-N 2 1 357.542 3.082 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611814 496012677 /nfs/dbraw/zinc/01/26/77/496012677.db2.gz NRIYFJHUSYFXOT-AUUYWEPGSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611814 496012684 /nfs/dbraw/zinc/01/26/84/496012684.db2.gz NRIYFJHUSYFXOT-AUUYWEPGSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611814 496012689 /nfs/dbraw/zinc/01/26/89/496012689.db2.gz NRIYFJHUSYFXOT-AUUYWEPGSA-N 2 1 367.896 3.072 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[NH+]2CCCC2)cc1 ZINC000183545566 496025629 /nfs/dbraw/zinc/02/56/29/496025629.db2.gz PVHZEFKQEIVHHR-HXUWFJFHSA-N 2 1 352.482 3.023 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000174682456 496059619 /nfs/dbraw/zinc/05/96/19/496059619.db2.gz HGAIRWRKUUEIPP-UHFFFAOYSA-N 2 1 374.554 3.361 20 0 FGADMP CN(c1ccccc1C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CC[NH+](C)CC1 ZINC000177562828 496113810 /nfs/dbraw/zinc/11/38/10/496113810.db2.gz IYLJGEVCKXMIJJ-UHFFFAOYSA-N 3 1 370.585 3.181 20 0 FGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000161672190 496219982 /nfs/dbraw/zinc/21/99/82/496219982.db2.gz PTZZMRDBDIKZQK-XJKSGUPXSA-N 2 1 355.885 3.107 20 0 FGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000161672190 496219985 /nfs/dbraw/zinc/21/99/85/496219985.db2.gz PTZZMRDBDIKZQK-XJKSGUPXSA-N 2 1 355.885 3.107 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCSCC1 ZINC000186990591 496242535 /nfs/dbraw/zinc/24/25/35/496242535.db2.gz QCXCALBGDMPHQR-WIYYLYMNSA-N 2 1 361.599 3.487 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000184122968 496248154 /nfs/dbraw/zinc/24/81/54/496248154.db2.gz FYZLMWSSSONKAM-UHFFFAOYSA-N 2 1 350.422 3.018 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161860702 496250904 /nfs/dbraw/zinc/25/09/04/496250904.db2.gz KRVACCFQBPHQTD-IEBWSBKVSA-N 2 1 362.514 3.075 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H](c1ccco1)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167027 496274797 /nfs/dbraw/zinc/27/47/97/496274797.db2.gz UJYQHYPURKTOFM-HKUYNNGSSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000175167027 496274801 /nfs/dbraw/zinc/27/48/01/496274801.db2.gz UJYQHYPURKTOFM-HKUYNNGSSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167027 496274805 /nfs/dbraw/zinc/27/48/05/496274805.db2.gz UJYQHYPURKTOFM-HKUYNNGSSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594432 496288889 /nfs/dbraw/zinc/28/88/89/496288889.db2.gz YXFHDSYZTCXBNR-SFHVURJKSA-N 2 1 369.509 3.422 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000162219239 496316234 /nfs/dbraw/zinc/31/62/34/496316234.db2.gz GTOZWJQWGVUCLZ-HNNXBMFYSA-N 2 1 367.497 3.371 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172544236 496336208 /nfs/dbraw/zinc/33/62/08/496336208.db2.gz ZETIIWMCFYDWOY-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172544236 496336210 /nfs/dbraw/zinc/33/62/10/496336210.db2.gz ZETIIWMCFYDWOY-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172544236 496336213 /nfs/dbraw/zinc/33/62/13/496336213.db2.gz ZETIIWMCFYDWOY-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000172623565 496366262 /nfs/dbraw/zinc/36/62/62/496366262.db2.gz PFKJMTWISFEFOO-SJORKVTESA-N 2 1 360.546 3.180 20 0 FGADMP C[C@H]1C[NH+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@H](C)O1 ZINC000162848609 496422707 /nfs/dbraw/zinc/42/27/07/496422707.db2.gz LCWSSZRXXQBCJL-SFTDATJTSA-N 3 1 373.585 3.173 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000162865994 496425978 /nfs/dbraw/zinc/42/59/78/496425978.db2.gz LQFJNPFVCAEPSH-GCJKJVERSA-N 2 1 364.537 3.464 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@H](C)C1 ZINC000162865994 496425985 /nfs/dbraw/zinc/42/59/85/496425985.db2.gz LQFJNPFVCAEPSH-GCJKJVERSA-N 2 1 364.537 3.464 20 0 FGADMP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000178414633 496448179 /nfs/dbraw/zinc/44/81/79/496448179.db2.gz LRCQVPKZCBHNHZ-HNNXBMFYSA-N 2 1 358.555 3.358 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000187474870 496456669 /nfs/dbraw/zinc/45/66/69/496456669.db2.gz HHBAEKFGIDIMMO-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000153482263 496470101 /nfs/dbraw/zinc/47/01/01/496470101.db2.gz RFXWXPOANSVHHF-XXBNENTESA-N 2 1 368.521 3.255 20 0 FGADMP COC[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000153482263 496470108 /nfs/dbraw/zinc/47/01/08/496470108.db2.gz RFXWXPOANSVHHF-XXBNENTESA-N 2 1 368.521 3.255 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000175632528 496474426 /nfs/dbraw/zinc/47/44/26/496474426.db2.gz WLMYGMWRUGDVRR-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522074 496485409 /nfs/dbraw/zinc/48/54/09/496485409.db2.gz BFQOCSWSRYYGTH-DYVFJYSZSA-N 2 1 367.331 3.434 20 0 FGADMP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662558 496491736 /nfs/dbraw/zinc/49/17/36/496491736.db2.gz DCFQTWXKEBKXHX-ROUUACIJSA-N 2 1 373.541 3.010 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000580827917 505847803 /nfs/dbraw/zinc/84/78/03/505847803.db2.gz FKVZZVQMFXPCPQ-ZRGWGRIASA-N 2 1 350.528 3.052 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOC[C@@H]3CCCO3)CC2)cc1 ZINC000163492163 496522375 /nfs/dbraw/zinc/52/23/75/496522375.db2.gz BBKUURHNXJVAPT-NRFANRHFSA-N 2 1 364.505 3.008 20 0 FGADMP Cc1nccnc1[C@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000187794133 496574810 /nfs/dbraw/zinc/57/48/10/496574810.db2.gz AQYQDJRSRIWOOY-IBGZPJMESA-N 2 1 367.541 3.034 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000153902180 496619335 /nfs/dbraw/zinc/61/93/35/496619335.db2.gz IEQHTYGBRBISSC-IAGOWNOFSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1F ZINC000182012964 496634752 /nfs/dbraw/zinc/63/47/52/496634752.db2.gz IPISCWHUMHDPNL-KUHUBIRLSA-N 2 1 361.436 3.035 20 0 FGADMP Cc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C)c21 ZINC000165258642 496653607 /nfs/dbraw/zinc/65/36/07/496653607.db2.gz WWOKOWVKEWNHLI-YSIASYRMSA-N 2 1 355.526 3.498 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)cc1 ZINC000179092952 496672780 /nfs/dbraw/zinc/67/27/80/496672780.db2.gz GDQRNDUHTJCVHH-MCEIDBOGSA-N 2 1 360.542 3.157 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166500749 496688035 /nfs/dbraw/zinc/68/80/35/496688035.db2.gz FWETTZOYQDIWRA-IFMALSPDSA-N 2 1 359.558 3.018 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000158388546 496690786 /nfs/dbraw/zinc/69/07/86/496690786.db2.gz JIMHTPSFMVLGGK-OFQRWUPVSA-N 2 1 367.921 3.304 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173435449 496692852 /nfs/dbraw/zinc/69/28/52/496692852.db2.gz VYJSPINKNOMMJW-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000185193998 496698532 /nfs/dbraw/zinc/69/85/32/496698532.db2.gz HFCKNEIDKQBLGP-UHFFFAOYSA-N 2 1 357.845 3.183 20 0 FGADMP Fc1cccnc1N1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000168145745 496708493 /nfs/dbraw/zinc/70/84/93/496708493.db2.gz FGPXJHJRNVQLTH-HXUWFJFHSA-N 2 1 368.500 3.096 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2CCN(c3ccc(Cl)cc3)CC2)CCOCC1 ZINC000168301923 496709472 /nfs/dbraw/zinc/70/94/72/496709472.db2.gz PCGNHDQWPWSLRA-UHFFFAOYSA-N 2 1 351.922 3.009 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268808 496723809 /nfs/dbraw/zinc/72/38/09/496723809.db2.gz SWAWKBLONZUAKD-IERDGZPVSA-N 2 1 352.478 3.039 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000182316687 496729337 /nfs/dbraw/zinc/72/93/37/496729337.db2.gz TUKDVXHGPUKKTC-RTWAWAEBSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273192681 496735935 /nfs/dbraw/zinc/73/59/35/496735935.db2.gz JGVBKFXQAFSCPZ-SFHVURJKSA-N 2 1 357.542 3.409 20 0 FGADMP C[N@@H+](CCNC(=O)c1ccccc1CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000580894174 505862817 /nfs/dbraw/zinc/86/28/17/505862817.db2.gz ALAFKNVSBMUJLU-UHFFFAOYSA-N 2 1 365.521 3.091 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000247025309 496755788 /nfs/dbraw/zinc/75/57/88/496755788.db2.gz NEHHLNMJUMTGNH-SFHVURJKSA-N 2 1 351.922 3.171 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000247044008 496761343 /nfs/dbraw/zinc/76/13/43/496761343.db2.gz MXJMMFNEGQEFFQ-CABCVRRESA-N 2 1 357.340 3.278 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000191480661 496776681 /nfs/dbraw/zinc/77/66/81/496776681.db2.gz VSYNJOLFBSDIBS-INDMIFKZSA-N 2 1 362.562 3.487 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000191480661 496776686 /nfs/dbraw/zinc/77/66/86/496776686.db2.gz VSYNJOLFBSDIBS-INDMIFKZSA-N 2 1 362.562 3.487 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247094940 496777544 /nfs/dbraw/zinc/77/75/44/496777544.db2.gz QAENTNUNZIWAGP-FUMNGEBKSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782182 496784629 /nfs/dbraw/zinc/78/46/29/496784629.db2.gz YJJQVAGCSLMCII-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000268782182 496784635 /nfs/dbraw/zinc/78/46/35/496784635.db2.gz YJJQVAGCSLMCII-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268785896 496785220 /nfs/dbraw/zinc/78/52/20/496785220.db2.gz CQOJXYHRGUDSRT-UWJYYQICSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268785896 496785224 /nfs/dbraw/zinc/78/52/24/496785224.db2.gz CQOJXYHRGUDSRT-UWJYYQICSA-N 2 1 351.494 3.189 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000264065142 496802899 /nfs/dbraw/zinc/80/28/99/496802899.db2.gz LBCMVOCQBNKRQP-UHFFFAOYSA-N 2 1 356.451 3.224 20 0 FGADMP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000191567759 496816091 /nfs/dbraw/zinc/81/60/91/496816091.db2.gz PYRSGOXCMNCNLN-QHCPKHFHSA-N 2 1 370.512 3.334 20 0 FGADMP Cc1ccccc1C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191574045 496818599 /nfs/dbraw/zinc/81/85/99/496818599.db2.gz SSWJDKJEHFYALO-QHCPKHFHSA-N 2 1 352.522 3.195 20 0 FGADMP COc1cc(OC)c(OC)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247264677 496819670 /nfs/dbraw/zinc/81/96/70/496819670.db2.gz XTMLUBQDLQCXDU-YJBOKZPZSA-N 2 1 360.498 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000268908498 496820939 /nfs/dbraw/zinc/82/09/39/496820939.db2.gz YINRKWROWQXHLZ-HNNXBMFYSA-N 2 1 362.905 3.262 20 0 FGADMP c1ncn(-c2cccc(C[NH2+]C3CC[NH+](CCc4ccccc4)CC3)c2)n1 ZINC000268911090 496820989 /nfs/dbraw/zinc/82/09/89/496820989.db2.gz NAXDYBGIPLCUKO-UHFFFAOYSA-N 2 1 361.493 3.064 20 0 FGADMP C[C@H]1C[C@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268921533 496824427 /nfs/dbraw/zinc/82/44/27/496824427.db2.gz WVLSDFYGZLUFIK-RBBKRZOGSA-N 2 1 371.569 3.274 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247285146 496825051 /nfs/dbraw/zinc/82/50/51/496825051.db2.gz TVYBRGABLFVUJL-GRDNDAEWSA-N 2 1 365.905 3.092 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290455 496825771 /nfs/dbraw/zinc/82/57/71/496825771.db2.gz UISAKILLCBWWJK-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290455 496825778 /nfs/dbraw/zinc/82/57/78/496825778.db2.gz UISAKILLCBWWJK-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290455 496825781 /nfs/dbraw/zinc/82/57/81/496825781.db2.gz UISAKILLCBWWJK-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000572009622 505868548 /nfs/dbraw/zinc/86/85/48/505868548.db2.gz LWXFUXLYLSMOMU-QZTJIDSGSA-N 2 1 367.497 3.128 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000247398053 496851203 /nfs/dbraw/zinc/85/12/03/496851203.db2.gz QZOPIRSLSXOAMX-LVCYWYKZSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000247398053 496851206 /nfs/dbraw/zinc/85/12/06/496851206.db2.gz QZOPIRSLSXOAMX-LVCYWYKZSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000247398053 496851212 /nfs/dbraw/zinc/85/12/12/496851212.db2.gz QZOPIRSLSXOAMX-LVCYWYKZSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000247481594 496868402 /nfs/dbraw/zinc/86/84/02/496868402.db2.gz WDOLHCQNHJMTIR-PZJWPPBQSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000247481594 496868409 /nfs/dbraw/zinc/86/84/09/496868409.db2.gz WDOLHCQNHJMTIR-PZJWPPBQSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000247481594 496868416 /nfs/dbraw/zinc/86/84/16/496868416.db2.gz WDOLHCQNHJMTIR-PZJWPPBQSA-N 2 1 374.573 3.174 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(I)c1 ZINC000572022014 505872132 /nfs/dbraw/zinc/87/21/32/505872132.db2.gz HTDBRNXMJGXOOU-UHFFFAOYSA-N 2 1 369.250 3.318 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(I)c1 ZINC000572022014 505872135 /nfs/dbraw/zinc/87/21/35/505872135.db2.gz HTDBRNXMJGXOOU-UHFFFAOYSA-N 2 1 369.250 3.318 20 0 FGADMP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(Br)c1O ZINC000273782133 496906186 /nfs/dbraw/zinc/90/61/86/496906186.db2.gz SWCZBYHCYOPOCA-UHFFFAOYSA-N 2 1 371.319 3.327 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000277881821 496920771 /nfs/dbraw/zinc/92/07/71/496920771.db2.gz WDQIEGKNBCLHGG-UHFFFAOYSA-N 2 1 372.557 3.200 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CCCN(c4ccccc4Cl)C3=O)CC[C@H]21 ZINC000247942632 496930458 /nfs/dbraw/zinc/93/04/58/496930458.db2.gz DEFUGEGXJBENEV-SUMDDJOVSA-N 2 1 361.917 3.252 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC(F)(F)F)cc1 ZINC000247958236 496932764 /nfs/dbraw/zinc/93/27/64/496932764.db2.gz FWHZJUQBDANQKB-ZBFHGGJFSA-N 2 1 360.420 3.473 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC000572037783 505874997 /nfs/dbraw/zinc/87/49/97/505874997.db2.gz DSOWZDTTYDLYIP-IYBDPMFKSA-N 2 1 364.415 3.323 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000248395650 496994598 /nfs/dbraw/zinc/99/45/98/496994598.db2.gz GKNDEGKHVVRBOH-QYZOEREBSA-N 2 1 364.578 3.059 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000189074080 496999146 /nfs/dbraw/zinc/99/91/46/496999146.db2.gz ZCAONJHBTWERBN-FQEVSTJZSA-N 2 1 371.525 3.160 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115087 497012947 /nfs/dbraw/zinc/01/29/47/497012947.db2.gz HWSSMOXJIPXPKE-DYVFJYSZSA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115087 497012952 /nfs/dbraw/zinc/01/29/52/497012952.db2.gz HWSSMOXJIPXPKE-DYVFJYSZSA-N 2 1 371.294 3.383 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cc(F)cc(Br)c3)CC[C@@H]21 ZINC000189115087 497012956 /nfs/dbraw/zinc/01/29/56/497012956.db2.gz HWSSMOXJIPXPKE-DYVFJYSZSA-N 2 1 371.294 3.383 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000248446444 497013618 /nfs/dbraw/zinc/01/36/18/497013618.db2.gz MYMAGBCBPVJQLT-SLFFLAALSA-N 2 1 362.489 3.397 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000248460023 497019368 /nfs/dbraw/zinc/01/93/68/497019368.db2.gz WDEJDLNZLODMRA-KSFYIVLOSA-N 2 1 367.493 3.062 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000264974913 497022561 /nfs/dbraw/zinc/02/25/61/497022561.db2.gz DKEUSINXSZKHNZ-MRXNPFEDSA-N 2 1 357.502 3.010 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248532633 497032619 /nfs/dbraw/zinc/03/26/19/497032619.db2.gz YPAAEZGVNNHKAC-MOPGFXCFSA-N 2 1 366.571 3.259 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000265024587 497032872 /nfs/dbraw/zinc/03/28/72/497032872.db2.gz JNJTXZIHOQSQHL-IBGZPJMESA-N 2 1 365.521 3.166 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248554984 497038603 /nfs/dbraw/zinc/03/86/03/497038603.db2.gz HWUVNEYIOARJDN-SVFBPWRDSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000265064153 497040511 /nfs/dbraw/zinc/04/05/11/497040511.db2.gz NVRVHIKCYPUWBR-QUCCMNQESA-N 2 1 357.542 3.475 20 0 FGADMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1F ZINC000278315007 497072489 /nfs/dbraw/zinc/07/24/89/497072489.db2.gz DLWIIRBDGDQYCM-RBUKOAKNSA-N 2 1 350.478 3.082 20 0 FGADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)c1cccs1 ZINC000578193306 505883272 /nfs/dbraw/zinc/88/32/72/505883272.db2.gz QRMGJVMTVHDPSA-VQIMIIECSA-N 2 1 363.571 3.273 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248692180 497081158 /nfs/dbraw/zinc/08/11/58/497081158.db2.gz JPTCZYSPWOSGHW-MSOLQXFVSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248692180 497081162 /nfs/dbraw/zinc/08/11/62/497081162.db2.gz JPTCZYSPWOSGHW-MSOLQXFVSA-N 2 1 366.937 3.068 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191659 505883710 /nfs/dbraw/zinc/88/37/10/505883710.db2.gz AECMCMUODTWBLJ-HXUWFJFHSA-N 2 1 364.493 3.464 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000578191659 505883712 /nfs/dbraw/zinc/88/37/12/505883712.db2.gz AECMCMUODTWBLJ-HXUWFJFHSA-N 2 1 364.493 3.464 20 0 FGADMP C[N@H+](Cc1cc(Br)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000228494413 497095220 /nfs/dbraw/zinc/09/52/20/497095220.db2.gz JIJJNLACVTUOHS-XYPWUTKMSA-N 2 1 351.288 3.099 20 0 FGADMP C[N@@H+](Cc1cc(Br)cc2c1OCC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000228494413 497095224 /nfs/dbraw/zinc/09/52/24/497095224.db2.gz JIJJNLACVTUOHS-XYPWUTKMSA-N 2 1 351.288 3.099 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000248748833 497097572 /nfs/dbraw/zinc/09/75/72/497097572.db2.gz FWIPREUFWVGEOJ-QZTJIDSGSA-N 2 1 356.514 3.423 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000248748833 497097574 /nfs/dbraw/zinc/09/75/74/497097574.db2.gz FWIPREUFWVGEOJ-QZTJIDSGSA-N 2 1 356.514 3.423 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)c2ccccc2)CC1 ZINC000236653082 497127398 /nfs/dbraw/zinc/12/73/98/497127398.db2.gz JQIGDRZFQPEOOC-LEWJYISDSA-N 2 1 351.494 3.276 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000236659966 497128963 /nfs/dbraw/zinc/12/89/63/497128963.db2.gz IVPUEAIWXOAGDM-AVRDEDQJSA-N 2 1 371.569 3.211 20 0 FGADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236719366 497137648 /nfs/dbraw/zinc/13/76/48/497137648.db2.gz IGIWDCYRJGVXNG-RTBURBONSA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236719366 497137653 /nfs/dbraw/zinc/13/76/53/497137653.db2.gz IGIWDCYRJGVXNG-RTBURBONSA-N 2 1 371.550 3.337 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]C3CCN(c4ccccn4)CC3)CC2)cc1 ZINC000236736495 497139600 /nfs/dbraw/zinc/13/96/00/497139600.db2.gz KIAPZNFHZGRGEC-UHFFFAOYSA-N 2 1 364.537 3.347 20 0 FGADMP CCCN(C(=O)c1csc(C[NH3+])n1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000236756392 497141806 /nfs/dbraw/zinc/14/18/06/497141806.db2.gz YQNWVJDJYJCOSJ-KRWDZBQOSA-N 2 1 372.538 3.119 20 0 FGADMP CCCN(C(=O)c1csc(C[NH3+])n1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236756392 497141810 /nfs/dbraw/zinc/14/18/10/497141810.db2.gz YQNWVJDJYJCOSJ-KRWDZBQOSA-N 2 1 372.538 3.119 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675574 497158819 /nfs/dbraw/zinc/15/88/19/497158819.db2.gz ZELVDOOGBPDTOJ-QFBILLFUSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675574 497158822 /nfs/dbraw/zinc/15/88/22/497158822.db2.gz ZELVDOOGBPDTOJ-QFBILLFUSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675574 497158824 /nfs/dbraw/zinc/15/88/24/497158824.db2.gz ZELVDOOGBPDTOJ-QFBILLFUSA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)no1 ZINC000265675574 497158825 /nfs/dbraw/zinc/15/88/25/497158825.db2.gz ZELVDOOGBPDTOJ-QFBILLFUSA-N 2 1 370.497 3.297 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961378 497206954 /nfs/dbraw/zinc/20/69/54/497206954.db2.gz WSGGYQVNTZRKAU-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000237233579 497207712 /nfs/dbraw/zinc/20/77/12/497207712.db2.gz IQTWHEHSEOHBKZ-HBMCJLEFSA-N 2 1 357.542 3.265 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000237270009 497213245 /nfs/dbraw/zinc/21/32/45/497213245.db2.gz JCOMTNAPTLXNCM-GOSISDBHSA-N 2 1 355.457 3.396 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)[C@H](C)C1 ZINC000265946159 497214526 /nfs/dbraw/zinc/21/45/26/497214526.db2.gz JQMGSCIQJIHHTF-WIYYLYMNSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237485350 497244682 /nfs/dbraw/zinc/24/46/82/497244682.db2.gz VRMCHCXFJAQNSI-SIKLNZKXSA-N 2 1 365.521 3.275 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCN(Cc4cccnc4)CC3)C2)cc1 ZINC000192918297 497246588 /nfs/dbraw/zinc/24/65/88/497246588.db2.gz YYQJTXPLAIPUSP-JOCHJYFZSA-N 2 1 364.537 3.158 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000249770074 497246886 /nfs/dbraw/zinc/24/68/86/497246886.db2.gz KPVOKPCVMZSCFA-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP Brc1cncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000192921404 497247485 /nfs/dbraw/zinc/24/74/85/497247485.db2.gz WWQXTUXHWDLXKY-INIZCTEOSA-N 2 1 360.299 3.456 20 0 FGADMP Brc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000192921404 497247490 /nfs/dbraw/zinc/24/74/90/497247490.db2.gz WWQXTUXHWDLXKY-INIZCTEOSA-N 2 1 360.299 3.456 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)nnn1-c1ccc(Cl)cc1 ZINC000278882961 497254521 /nfs/dbraw/zinc/25/45/21/497254521.db2.gz CUCBUMKQCBXNJY-ZFWWWQNUSA-N 2 1 370.888 3.339 20 0 FGADMP c1[nH+]c(C2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)n2c1CCCC2 ZINC000278912000 497264658 /nfs/dbraw/zinc/26/46/58/497264658.db2.gz QMRAIDYNLDMJPJ-UHFFFAOYSA-N 2 1 353.466 3.370 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278933261 497272459 /nfs/dbraw/zinc/27/24/59/497272459.db2.gz SXKJLXGQFACYIE-FQEVSTJZSA-N 2 1 369.509 3.147 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000251500252 497274535 /nfs/dbraw/zinc/27/45/35/497274535.db2.gz FGSITVSMPCCDDC-DUXKGJEZSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000251500252 497274538 /nfs/dbraw/zinc/27/45/38/497274538.db2.gz FGSITVSMPCCDDC-DUXKGJEZSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000251500252 497274541 /nfs/dbraw/zinc/27/45/41/497274541.db2.gz FGSITVSMPCCDDC-DUXKGJEZSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC000252441523 497298886 /nfs/dbraw/zinc/29/88/86/497298886.db2.gz NHDDEAUYBFXYCZ-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266309792 497301399 /nfs/dbraw/zinc/30/13/99/497301399.db2.gz NWVMZJAPUPOZCU-FQEVSTJZSA-N 2 1 357.542 3.476 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000189953961 497305197 /nfs/dbraw/zinc/30/51/97/497305197.db2.gz RMZOKLFFZADAAG-IRXDYDNUSA-N 2 1 369.553 3.037 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652478 497314887 /nfs/dbraw/zinc/31/48/87/497314887.db2.gz QQEYOFYHWJIZRU-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652478 497314892 /nfs/dbraw/zinc/31/48/92/497314892.db2.gz QQEYOFYHWJIZRU-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000252652478 497314894 /nfs/dbraw/zinc/31/48/94/497314894.db2.gz QQEYOFYHWJIZRU-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000238002072 497325864 /nfs/dbraw/zinc/32/58/64/497325864.db2.gz QDTMFIHFCSHCPU-FQEVSTJZSA-N 2 1 355.526 3.178 20 0 FGADMP C[C@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245202526 497376911 /nfs/dbraw/zinc/37/69/11/497376911.db2.gz FILDGDQAOSCUOV-QLFBSQMISA-N 2 1 350.532 3.329 20 0 FGADMP C[C@H](C(=O)Nc1nc(CN2CCCCC2)cs1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245202526 497376916 /nfs/dbraw/zinc/37/69/16/497376916.db2.gz FILDGDQAOSCUOV-QLFBSQMISA-N 2 1 350.532 3.329 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245202677 497377003 /nfs/dbraw/zinc/37/70/03/497377003.db2.gz VMLNAAAXGKXYOH-XMTFNYHQSA-N 2 1 363.571 3.338 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000245202677 497377007 /nfs/dbraw/zinc/37/70/07/497377007.db2.gz VMLNAAAXGKXYOH-XMTFNYHQSA-N 2 1 363.571 3.338 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)[C@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000245415244 497394770 /nfs/dbraw/zinc/39/47/70/497394770.db2.gz DALAYWYQDIKSAH-YYWHXJBOSA-N 2 1 357.542 3.185 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(Br)c1 ZINC000245418316 497395820 /nfs/dbraw/zinc/39/58/20/497395820.db2.gz AUHZBCNFQLSWCW-YOEHRIQHSA-N 2 1 355.320 3.337 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449115 497413405 /nfs/dbraw/zinc/41/34/05/497413405.db2.gz NKLONAQDHHOQRK-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449115 497413408 /nfs/dbraw/zinc/41/34/08/497413408.db2.gz NKLONAQDHHOQRK-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449115 497413412 /nfs/dbraw/zinc/41/34/12/497413412.db2.gz NKLONAQDHHOQRK-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000245449115 497413416 /nfs/dbraw/zinc/41/34/16/497413416.db2.gz NKLONAQDHHOQRK-UKRRQHHQSA-N 2 1 361.313 3.007 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000261701064 497436112 /nfs/dbraw/zinc/43/61/12/497436112.db2.gz IDNDQQDUXKXFDA-KRWDZBQOSA-N 2 1 352.404 3.121 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000261701064 497436116 /nfs/dbraw/zinc/43/61/16/497436116.db2.gz IDNDQQDUXKXFDA-KRWDZBQOSA-N 2 1 352.404 3.121 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000569332447 505909458 /nfs/dbraw/zinc/90/94/58/505909458.db2.gz ROIAUMWXBORHCI-AWEZNQCLSA-N 2 1 368.319 3.099 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279600411 497484045 /nfs/dbraw/zinc/48/40/45/497484045.db2.gz DLSCZOBLSFRKKY-OYRHEFFESA-N 2 1 359.477 3.036 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279600411 497484048 /nfs/dbraw/zinc/48/40/48/497484048.db2.gz DLSCZOBLSFRKKY-OYRHEFFESA-N 2 1 359.477 3.036 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279600411 497484052 /nfs/dbraw/zinc/48/40/52/497484052.db2.gz DLSCZOBLSFRKKY-OYRHEFFESA-N 2 1 359.477 3.036 20 0 FGADMP c1[nH]nc(-c2cccnc2)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279600411 497484057 /nfs/dbraw/zinc/48/40/57/497484057.db2.gz DLSCZOBLSFRKKY-OYRHEFFESA-N 2 1 359.477 3.036 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245666858 497494157 /nfs/dbraw/zinc/49/41/57/497494157.db2.gz GTIHSRJLZIYHEP-MZADTFQBSA-N 2 1 352.526 3.365 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267312983 497523890 /nfs/dbraw/zinc/52/38/90/497523890.db2.gz CFADBXQOUBJCIP-RXVVDRJESA-N 2 1 372.557 3.069 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223087 497570188 /nfs/dbraw/zinc/57/01/88/497570188.db2.gz AJHHZQPOIQGWAD-UCNVEGJOSA-N 2 1 354.494 3.229 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000245941391 497580052 /nfs/dbraw/zinc/58/00/52/497580052.db2.gz VDAKJPOWLBTDIF-QAPCUYQASA-N 2 1 355.448 3.478 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126892 505916061 /nfs/dbraw/zinc/91/60/61/505916061.db2.gz FICFYIWAAPHXKR-DUXKGJEZSA-N 2 1 354.494 3.166 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000262665401 497594182 /nfs/dbraw/zinc/59/41/82/497594182.db2.gz JJGKGOVOHFWPNB-GLEIMRJVSA-N 2 1 367.537 3.219 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC3 ZINC000246039032 497602116 /nfs/dbraw/zinc/60/21/16/497602116.db2.gz WXPVVILVVYSQPA-ROUUACIJSA-N 2 1 355.526 3.160 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000246100672 497622139 /nfs/dbraw/zinc/62/21/39/497622139.db2.gz POODBLJFBATUBB-GQIGUUNPSA-N 2 1 369.513 3.223 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000246100672 497622142 /nfs/dbraw/zinc/62/21/42/497622142.db2.gz POODBLJFBATUBB-GQIGUUNPSA-N 2 1 369.513 3.223 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000246195643 497656290 /nfs/dbraw/zinc/65/62/90/497656290.db2.gz MAWSAFXEJRYYBM-CTNGQTDRSA-N 2 1 359.558 3.476 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000246205858 497660466 /nfs/dbraw/zinc/66/04/66/497660466.db2.gz YJULRJAQAYRRLK-NQYYFHDYSA-N 2 1 358.530 3.207 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557306 497661943 /nfs/dbraw/zinc/66/19/43/497661943.db2.gz TZLBUWSBPRRTBG-UCNVEGJOSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262943361 497662359 /nfs/dbraw/zinc/66/23/59/497662359.db2.gz USAOTGXEFJXCNB-JHBZICRXSA-N 2 1 365.521 3.349 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272565373 497664251 /nfs/dbraw/zinc/66/42/51/497664251.db2.gz SNNPKMUFTSHWDT-KOUHRCEDSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272565373 497664254 /nfs/dbraw/zinc/66/42/54/497664254.db2.gz SNNPKMUFTSHWDT-KOUHRCEDSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272565373 497664256 /nfs/dbraw/zinc/66/42/56/497664256.db2.gz SNNPKMUFTSHWDT-KOUHRCEDSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246313020 497692367 /nfs/dbraw/zinc/69/23/67/497692367.db2.gz BMJHUNASDHWWHL-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246313020 497692360 /nfs/dbraw/zinc/69/23/60/497692360.db2.gz BMJHUNASDHWWHL-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000246313020 497692373 /nfs/dbraw/zinc/69/23/73/497692373.db2.gz BMJHUNASDHWWHL-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CCS(=O)(=O)CCCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000191060612 497697058 /nfs/dbraw/zinc/69/70/58/497697058.db2.gz YIJAHYQGFZXTHY-MRXNPFEDSA-N 2 1 363.527 3.436 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246346811 497703389 /nfs/dbraw/zinc/70/33/89/497703389.db2.gz FGSWSACDYLLAQS-GIVPXCGWSA-N 2 1 355.526 3.155 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246346811 497703390 /nfs/dbraw/zinc/70/33/90/497703390.db2.gz FGSWSACDYLLAQS-GIVPXCGWSA-N 2 1 355.526 3.155 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246346509 497703946 /nfs/dbraw/zinc/70/39/46/497703946.db2.gz FGBVLTZPOCIWOJ-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246384005 497716212 /nfs/dbraw/zinc/71/62/12/497716212.db2.gz NDKVJMMQIDJWSP-GUDVDZBRSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)c1noc([C@@H](C)N2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000246388311 497716859 /nfs/dbraw/zinc/71/68/59/497716859.db2.gz PLBCVHWJVVMAAU-IXDOHACOSA-N 2 1 364.534 3.465 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000246444655 497736198 /nfs/dbraw/zinc/73/61/98/497736198.db2.gz OUAQAIAZYQUKQE-VWPQPMDRSA-N 2 1 358.574 3.250 20 0 FGADMP Cc1ccc(N2CCC([NH2+]Cc3ccc(N(C)C(C)C)nc3)CC2)[nH+]c1 ZINC000191184008 497736756 /nfs/dbraw/zinc/73/67/56/497736756.db2.gz OQMJEZDNXZQKSB-UHFFFAOYSA-N 2 1 353.514 3.388 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000263258963 497743832 /nfs/dbraw/zinc/74/38/32/497743832.db2.gz LUHCOIYBMZMBER-RCLSDMTESA-N 2 1 357.542 3.436 20 0 FGADMP C[C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000246495810 497753476 /nfs/dbraw/zinc/75/34/76/497753476.db2.gz PQFGZESOPIBGFN-XSLAUPDRSA-N 2 1 355.526 3.030 20 0 FGADMP C[NH+](C)C/C=C/C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000273092309 497798092 /nfs/dbraw/zinc/79/80/92/497798092.db2.gz HOSLYSIBBYOYGQ-ONEGZZNKSA-N 2 1 370.324 3.192 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cc(Cl)ccc3OC)C2)[C@H](C)C1 ZINC000246890795 497819008 /nfs/dbraw/zinc/81/90/08/497819008.db2.gz DSLCRAKKAWISNO-PVAVHDDUSA-N 2 1 351.922 3.247 20 0 FGADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000364185680 497828565 /nfs/dbraw/zinc/82/85/65/497828565.db2.gz UMDISSTXAZIFJG-KRWDZBQOSA-N 2 1 351.579 3.323 20 0 FGADMP CC(C)Cc1ncc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)s1 ZINC000288609931 497845299 /nfs/dbraw/zinc/84/52/99/497845299.db2.gz QLUMNZICRVREGF-UHFFFAOYSA-N 2 1 362.543 3.357 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c2nccn21 ZINC000334108256 497874913 /nfs/dbraw/zinc/87/49/13/497874913.db2.gz ZSKQEPXUJUMUMO-VSZNYVQBSA-N 2 1 359.518 3.185 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462522 505945464 /nfs/dbraw/zinc/94/54/64/505945464.db2.gz PJJUUFARCUZQNX-HSZRJFAPSA-N 2 1 371.569 3.140 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462522 505945467 /nfs/dbraw/zinc/94/54/67/505945467.db2.gz PJJUUFARCUZQNX-HSZRJFAPSA-N 3 1 371.569 3.140 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578462522 505945470 /nfs/dbraw/zinc/94/54/70/505945470.db2.gz PJJUUFARCUZQNX-HSZRJFAPSA-N 3 1 371.569 3.140 20 0 FGADMP [NH2+]=C(NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1ccc2c(c1)CCC2 ZINC000364384715 497931830 /nfs/dbraw/zinc/93/18/30/497931830.db2.gz NDHPGFOKXLJQBK-GOSISDBHSA-N 2 1 363.509 3.419 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(OC)c1 ZINC000364436530 497957254 /nfs/dbraw/zinc/95/72/54/497957254.db2.gz FQFJRUYJHQZFFY-ZTTFOMCMSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(OC)c1 ZINC000364436530 497957260 /nfs/dbraw/zinc/95/72/60/497957260.db2.gz FQFJRUYJHQZFFY-ZTTFOMCMSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c(OC)c1 ZINC000572410161 505961763 /nfs/dbraw/zinc/96/17/63/505961763.db2.gz QCGOBTTXOPDDEY-DOPJRALCSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cs2)c(OC)c1 ZINC000572410161 505961766 /nfs/dbraw/zinc/96/17/66/505961766.db2.gz QCGOBTTXOPDDEY-DOPJRALCSA-N 2 1 373.522 3.387 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@H]([NH+](C)C)CC2)cc[nH+]1 ZINC000330143153 498036771 /nfs/dbraw/zinc/03/67/71/498036771.db2.gz QZQCLROQKZLDRG-LNLFQRSKSA-N 2 1 361.534 3.013 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581362807 505970779 /nfs/dbraw/zinc/97/07/79/505970779.db2.gz IIDNPBPUOOJAHD-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581362807 505970780 /nfs/dbraw/zinc/97/07/80/505970780.db2.gz IIDNPBPUOOJAHD-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581362807 505970783 /nfs/dbraw/zinc/97/07/83/505970783.db2.gz IIDNPBPUOOJAHD-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618872 498052922 /nfs/dbraw/zinc/05/29/22/498052922.db2.gz AYOKRAGCTAETBS-MJGOQNOKSA-N 2 1 357.523 3.233 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1)c1ccsc1 ZINC000581386827 505976215 /nfs/dbraw/zinc/97/62/15/505976215.db2.gz OZRNKTVPWMGFDL-MAUKXSAKSA-N 2 1 360.527 3.015 20 0 FGADMP Cc1cc(=O)oc2cc(OCC[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ccc12 ZINC000285453486 498090809 /nfs/dbraw/zinc/09/08/09/498090809.db2.gz JGBJMVQATKERET-SJPCQFCGSA-N 2 1 356.466 3.037 20 0 FGADMP Cc1cc(=O)oc2cc(OCC[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH+]4C)ccc12 ZINC000285453486 498090798 /nfs/dbraw/zinc/09/07/98/498090798.db2.gz JGBJMVQATKERET-SJPCQFCGSA-N 2 1 356.466 3.037 20 0 FGADMP Cc1cc(=O)oc2cc(OCC[NH+](C)C3C[C@H]4CC[C@@H](C3)[N@H+]4C)ccc12 ZINC000285453486 498090806 /nfs/dbraw/zinc/09/08/06/498090806.db2.gz JGBJMVQATKERET-SJPCQFCGSA-N 2 1 356.466 3.037 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccccn2)s1 ZINC000569626101 505978991 /nfs/dbraw/zinc/97/89/91/505978991.db2.gz VWKBIYDEHFWHDA-QGZVFWFLSA-N 2 1 373.570 3.053 20 0 FGADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)sc1Br ZINC000285612674 498146624 /nfs/dbraw/zinc/14/66/24/498146624.db2.gz YXXCDYGJNYZODC-LBPRGKRZSA-N 2 1 361.349 3.316 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000364772792 498136593 /nfs/dbraw/zinc/13/65/93/498136593.db2.gz OWNLDNZMKNURDJ-TZIWHRDSSA-N 2 1 374.573 3.310 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000581427618 505986795 /nfs/dbraw/zinc/98/67/95/505986795.db2.gz BQGXAFNXEMVNJK-UHFFFAOYSA-N 2 1 371.447 3.113 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000572514779 505987175 /nfs/dbraw/zinc/98/71/75/505987175.db2.gz XTHBEXDPWZWCIL-PWRODBHTSA-N 2 1 358.501 3.380 20 0 FGADMP C[NH+](Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285653569 498160321 /nfs/dbraw/zinc/16/03/21/498160321.db2.gz YNZPIIBTLRVBSN-PBWFPOADSA-N 2 1 362.857 3.209 20 0 FGADMP C[NH+](Cc1cc(=O)oc2cc([O-])c(Cl)cc12)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285653569 498160327 /nfs/dbraw/zinc/16/03/27/498160327.db2.gz YNZPIIBTLRVBSN-PBWFPOADSA-N 2 1 362.857 3.209 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000364829664 498163581 /nfs/dbraw/zinc/16/35/81/498163581.db2.gz LJGQCSHCECDHOT-NQIIRXRSSA-N 2 1 368.525 3.068 20 0 FGADMP CCOC(=O)c1csc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000292912851 498194490 /nfs/dbraw/zinc/19/44/90/498194490.db2.gz KXYXWWBXANUGEH-WBVHZDCISA-N 2 1 373.522 3.320 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000292968923 498217193 /nfs/dbraw/zinc/21/71/93/498217193.db2.gz LALIUYDDLGGEEO-MRXNPFEDSA-N 2 1 361.511 3.152 20 0 FGADMP CCOC(=O)CC1CCN(Cc2nc3c(s2)CN(C(C)C)CC3)CC1 ZINC000359956752 498230039 /nfs/dbraw/zinc/23/00/39/498230039.db2.gz FKXZEIGQBLSNSF-UHFFFAOYSA-N 2 1 365.543 3.075 20 0 FGADMP Cc1cccc2c(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)ncnc12 ZINC000301739955 498245879 /nfs/dbraw/zinc/24/58/79/498245879.db2.gz XEWFDRCSHSWPBY-UHFFFAOYSA-N 2 1 353.514 3.300 20 0 FGADMP CCc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000301776344 498259409 /nfs/dbraw/zinc/25/94/09/498259409.db2.gz GROXYIAKKIPHEZ-IBGZPJMESA-N 2 1 352.526 3.404 20 0 FGADMP C[C@H]1C[C@@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169962 498292566 /nfs/dbraw/zinc/29/25/66/498292566.db2.gz WCQLQFOQHRCSFT-YYWHXJBOSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169962 498292577 /nfs/dbraw/zinc/29/25/77/498292577.db2.gz WCQLQFOQHRCSFT-YYWHXJBOSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169962 498292582 /nfs/dbraw/zinc/29/25/82/498292582.db2.gz WCQLQFOQHRCSFT-YYWHXJBOSA-N 2 1 351.494 3.246 20 0 FGADMP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000360870017 498317779 /nfs/dbraw/zinc/31/77/79/498317779.db2.gz GBHPLQSTXQVDEV-QUCCMNQESA-N 2 1 364.505 3.297 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000569834780 506027851 /nfs/dbraw/zinc/02/78/51/506027851.db2.gz PYLDNHKHVUXSDE-GOSISDBHSA-N 2 1 373.541 3.040 20 0 FGADMP C[C@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000581596977 506024085 /nfs/dbraw/zinc/02/40/85/506024085.db2.gz RJQJTUNFRGRVSV-CEXWTWQISA-N 2 1 372.557 3.106 20 0 FGADMP CCn1ccnc1CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000297258572 498380499 /nfs/dbraw/zinc/38/04/99/498380499.db2.gz YWWGNDFETOGGET-LJQANCHMSA-N 2 1 369.513 3.005 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000286442348 498398609 /nfs/dbraw/zinc/39/86/09/498398609.db2.gz JJIKKDIEBPCVFN-UHFFFAOYSA-N 2 1 358.877 3.304 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293530248 498404611 /nfs/dbraw/zinc/40/46/11/498404611.db2.gz DTZVPERNIXHUGN-LPHOPBHVSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC(=O)N(C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581634128 506032599 /nfs/dbraw/zinc/03/25/99/506032599.db2.gz AMGOQHXWQLFTHG-SESVDKBCSA-N 2 1 369.553 3.420 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000286627235 498457503 /nfs/dbraw/zinc/45/75/03/498457503.db2.gz VIVNQIBEPZHPCA-UHFFFAOYSA-N 2 1 372.513 3.005 20 0 FGADMP Nc1nccc([C@H]2CCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)n1 ZINC000578856269 506037396 /nfs/dbraw/zinc/03/73/96/506037396.db2.gz NHPHEVDXODYHDW-FQEVSTJZSA-N 2 1 365.525 3.255 20 0 FGADMP O=C1O[C@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463230 498479572 /nfs/dbraw/zinc/47/95/72/498479572.db2.gz LONYJJIGQGEWRJ-IBGZPJMESA-N 2 1 354.494 3.070 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000581677946 506042952 /nfs/dbraw/zinc/04/29/52/506042952.db2.gz UUVNJBXSFSYHGQ-JOCHJYFZSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000581677946 506042954 /nfs/dbraw/zinc/04/29/54/506042954.db2.gz UUVNJBXSFSYHGQ-JOCHJYFZSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000581677946 506042958 /nfs/dbraw/zinc/04/29/58/506042958.db2.gz UUVNJBXSFSYHGQ-JOCHJYFZSA-N 2 1 373.585 3.331 20 0 FGADMP Cc1cc(N(CC[NH+](C)C)Cc2ccc(Br)cc2)nc(C)[nH+]1 ZINC000302565904 498509002 /nfs/dbraw/zinc/50/90/02/498509002.db2.gz WINPABMVUHRXAS-UHFFFAOYSA-N 2 1 363.303 3.424 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000282434553 498510932 /nfs/dbraw/zinc/51/09/32/498510932.db2.gz UCLRBVGBLWWJHC-QGZVFWFLSA-N 2 1 353.510 3.260 20 0 FGADMP NC(=O)[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926439 506049054 /nfs/dbraw/zinc/04/90/54/506049054.db2.gz HBKFKKWKCYYPOA-PMACEKPBSA-N 2 1 367.468 3.139 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000290394264 498536348 /nfs/dbraw/zinc/53/63/48/498536348.db2.gz LMLXZEUNXPQSAS-NRFANRHFSA-N 2 1 357.542 3.380 20 0 FGADMP COc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999463 498596683 /nfs/dbraw/zinc/59/66/83/498596683.db2.gz FKJORHXWGNQVFG-WOJBJXKFSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999463 498596687 /nfs/dbraw/zinc/59/66/87/498596687.db2.gz FKJORHXWGNQVFG-WOJBJXKFSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999463 498596697 /nfs/dbraw/zinc/59/66/97/498596697.db2.gz FKJORHXWGNQVFG-WOJBJXKFSA-N 2 1 367.493 3.386 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)c(OC)cc1OC ZINC000290629057 498624968 /nfs/dbraw/zinc/62/49/68/498624968.db2.gz XWFKMTUNWYPZRI-UHFFFAOYSA-N 2 1 361.486 3.384 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1OC ZINC000290629057 498624975 /nfs/dbraw/zinc/62/49/75/498624975.db2.gz XWFKMTUNWYPZRI-UHFFFAOYSA-N 2 1 361.486 3.384 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000302959685 498634196 /nfs/dbraw/zinc/63/41/96/498634196.db2.gz FUVKUXWZVYJIGW-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCC(=O)Nc3ccccc3)CC2)oc1C ZINC000578980979 506066934 /nfs/dbraw/zinc/06/69/34/506066934.db2.gz BWUXLUXZAJXEGK-UHFFFAOYSA-N 2 1 370.497 3.122 20 0 FGADMP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009130 506067218 /nfs/dbraw/zinc/06/72/18/506067218.db2.gz QBKBKSXXZBNKNO-ZFWWWQNUSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009130 506067222 /nfs/dbraw/zinc/06/72/22/506067222.db2.gz QBKBKSXXZBNKNO-ZFWWWQNUSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009130 506067225 /nfs/dbraw/zinc/06/72/25/506067225.db2.gz QBKBKSXXZBNKNO-ZFWWWQNUSA-N 2 1 360.420 3.408 20 0 FGADMP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000570009130 506067229 /nfs/dbraw/zinc/06/72/29/506067229.db2.gz QBKBKSXXZBNKNO-ZFWWWQNUSA-N 2 1 360.420 3.408 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122898 498662583 /nfs/dbraw/zinc/66/25/83/498662583.db2.gz VBMAGGYLLPKUAQ-UTKZUKDTSA-N 2 1 372.534 3.090 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122898 498662588 /nfs/dbraw/zinc/66/25/88/498662588.db2.gz VBMAGGYLLPKUAQ-UTKZUKDTSA-N 2 1 372.534 3.090 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303505553 498683331 /nfs/dbraw/zinc/68/33/31/498683331.db2.gz AZOJUXMUPBCFNU-NHCUHLMSSA-N 2 1 372.557 3.387 20 0 FGADMP Cn1cc([C@@H]2[C@H](CNCc3c(F)cccc3Cl)CCC[N@@H+]2C)cn1 ZINC000363177782 498688195 /nfs/dbraw/zinc/68/81/95/498688195.db2.gz YKNOKSQYEMDKMH-UGSOOPFHSA-N 2 1 350.869 3.385 20 0 FGADMP Cn1cc([C@@H]2[C@H](CNCc3c(F)cccc3Cl)CCC[N@H+]2C)cn1 ZINC000363177782 498688197 /nfs/dbraw/zinc/68/81/97/498688197.db2.gz YKNOKSQYEMDKMH-UGSOOPFHSA-N 2 1 350.869 3.385 20 0 FGADMP Cc1ccsc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365911403 498695932 /nfs/dbraw/zinc/69/59/32/498695932.db2.gz ITGZNFWQRRAXNH-UHFFFAOYSA-N 2 1 363.571 3.325 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)[nH+]1 ZINC000366027566 498739506 /nfs/dbraw/zinc/73/95/06/498739506.db2.gz ZWJVZDYEGSDZJY-UHFFFAOYSA-N 2 1 352.482 3.168 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312690824 498760923 /nfs/dbraw/zinc/76/09/23/498760923.db2.gz QJWWSXHKXVYCDD-FGZHOGPDSA-N 2 1 368.521 3.155 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332834851 498809010 /nfs/dbraw/zinc/80/90/10/498809010.db2.gz YAFIALDCRYNYCP-AEFFLSMTSA-N 2 1 370.541 3.094 20 0 FGADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332834851 498809021 /nfs/dbraw/zinc/80/90/21/498809021.db2.gz YAFIALDCRYNYCP-AEFFLSMTSA-N 2 1 370.541 3.094 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)cc1 ZINC000283189516 498810947 /nfs/dbraw/zinc/81/09/47/498810947.db2.gz KLPLSNNIMLUJQQ-NBHGPNQESA-N 2 1 369.509 3.399 20 0 FGADMP CO[C@@H](CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221824 498822237 /nfs/dbraw/zinc/82/22/37/498822237.db2.gz SUOUCBHHSVEHSU-UXHICEINSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221824 498822243 /nfs/dbraw/zinc/82/22/43/498822243.db2.gz SUOUCBHHSVEHSU-UXHICEINSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccc(Cl)cc1 ZINC000283221824 498822251 /nfs/dbraw/zinc/82/22/51/498822251.db2.gz SUOUCBHHSVEHSU-UXHICEINSA-N 2 1 365.949 3.129 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000283366964 498863820 /nfs/dbraw/zinc/86/38/20/498863820.db2.gz NQXLNLYQHDBEGZ-NMIHRBCNSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000283366964 498863825 /nfs/dbraw/zinc/86/38/25/498863825.db2.gz NQXLNLYQHDBEGZ-NMIHRBCNSA-N 2 1 372.553 3.197 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@@H]2CCOC2)c1)C[C@@H]1CCOC1 ZINC000295046568 498891460 /nfs/dbraw/zinc/89/14/60/498891460.db2.gz OHMYHZSZQVYUAL-IRXDYDNUSA-N 2 1 366.933 3.277 20 0 FGADMP Cn1cncc1CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366373674 498898191 /nfs/dbraw/zinc/89/81/91/498898191.db2.gz NBZBCSBEUYZYMV-JXFKEZNVSA-N 2 1 374.916 3.205 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000328705379 498909108 /nfs/dbraw/zinc/90/91/08/498909108.db2.gz PFJVJFIXSXGJFV-BJLQDIEVSA-N 2 1 373.545 3.014 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295141394 498924341 /nfs/dbraw/zinc/92/43/41/498924341.db2.gz ZUNZHBFAVKLCEF-FMJMRLDVSA-N 2 1 363.933 3.292 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513328 498960119 /nfs/dbraw/zinc/96/01/19/498960119.db2.gz LZASYROCXPNXKW-PKOBYXMFSA-N 2 1 374.529 3.075 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057827 506124179 /nfs/dbraw/zinc/12/41/79/506124179.db2.gz GWRLTRLUVQPFIM-JXFKEZNVSA-N 2 1 372.538 3.453 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057827 506124181 /nfs/dbraw/zinc/12/41/81/506124181.db2.gz GWRLTRLUVQPFIM-JXFKEZNVSA-N 2 1 372.538 3.453 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000363814247 499007056 /nfs/dbraw/zinc/00/70/56/499007056.db2.gz FDQMZXLPEATLIX-CEMLEFRQSA-N 2 1 360.542 3.115 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000363827737 499015087 /nfs/dbraw/zinc/01/50/87/499015087.db2.gz MFVJAKRBWMHECQ-LVNJIZSUSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000363827737 499015091 /nfs/dbraw/zinc/01/50/91/499015091.db2.gz MFVJAKRBWMHECQ-LVNJIZSUSA-N 2 1 359.514 3.185 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364985 499037878 /nfs/dbraw/zinc/03/78/78/499037878.db2.gz PWKJRDRFVIRWIZ-YLJYHZDGSA-N 2 1 371.550 3.207 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364985 499037889 /nfs/dbraw/zinc/03/78/89/499037889.db2.gz PWKJRDRFVIRWIZ-YLJYHZDGSA-N 2 1 371.550 3.207 20 0 FGADMP C[C@@H](NCc1cnnn1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776804 499064687 /nfs/dbraw/zinc/06/46/87/499064687.db2.gz UJMNPEURMHLCIL-IEBWSBKVSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000291776804 499064695 /nfs/dbraw/zinc/06/46/95/499064695.db2.gz UJMNPEURMHLCIL-IEBWSBKVSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776804 499064700 /nfs/dbraw/zinc/06/47/00/499064700.db2.gz UJMNPEURMHLCIL-IEBWSBKVSA-N 2 1 353.514 3.069 20 0 FGADMP c1cc(C[N@H+]2CCC[C@]23CCOC3)ccc1C[NH+]1CCC[C@]12CCOC2 ZINC000366941232 499119892 /nfs/dbraw/zinc/11/98/92/499119892.db2.gz AMBQUGUGSBPGQG-FGZHOGPDSA-N 2 1 356.510 3.196 20 0 FGADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C1CCN(CCc2ccncc2)CC1 ZINC000367049538 499139895 /nfs/dbraw/zinc/13/98/95/499139895.db2.gz GXVPVTSLBKBOTE-NRFANRHFSA-N 2 1 373.928 3.407 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000367111026 499150351 /nfs/dbraw/zinc/15/03/51/499150351.db2.gz QRDYITKCHDOTJW-KRWDZBQOSA-N 2 1 372.944 3.348 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000367111026 499150353 /nfs/dbraw/zinc/15/03/53/499150353.db2.gz QRDYITKCHDOTJW-KRWDZBQOSA-N 2 1 372.944 3.348 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000367141516 499153669 /nfs/dbraw/zinc/15/36/69/499153669.db2.gz PVAXSXGBQKRCME-OAQYLSRUSA-N 2 1 361.599 3.410 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000369952817 499156695 /nfs/dbraw/zinc/15/66/95/499156695.db2.gz VJPWVJCVVMSSBK-UHFFFAOYSA-N 2 1 360.546 3.367 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198351 499160025 /nfs/dbraw/zinc/16/00/25/499160025.db2.gz AUPOMZMGMFCADN-INIZCTEOSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198351 499160027 /nfs/dbraw/zinc/16/00/27/499160027.db2.gz AUPOMZMGMFCADN-INIZCTEOSA-N 2 1 357.498 3.024 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367252182 499168534 /nfs/dbraw/zinc/16/85/34/499168534.db2.gz LKNHDXHWHYTBRD-CTNGQTDRSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252182 499168536 /nfs/dbraw/zinc/16/85/36/499168536.db2.gz LKNHDXHWHYTBRD-CTNGQTDRSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252182 499168539 /nfs/dbraw/zinc/16/85/39/499168539.db2.gz LKNHDXHWHYTBRD-CTNGQTDRSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367252182 499168541 /nfs/dbraw/zinc/16/85/41/499168541.db2.gz LKNHDXHWHYTBRD-CTNGQTDRSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367252182 499168544 /nfs/dbraw/zinc/16/85/44/499168544.db2.gz LKNHDXHWHYTBRD-CTNGQTDRSA-N 2 1 361.574 3.220 20 0 FGADMP C[C@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367308866 499178419 /nfs/dbraw/zinc/17/84/19/499178419.db2.gz FQGOTTXQZRPAFR-NVXWUHKLSA-N 2 1 367.497 3.389 20 0 FGADMP CC(C)[C@@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)[NH+]1CCC(C)CC1 ZINC000370222062 499198795 /nfs/dbraw/zinc/19/87/95/499198795.db2.gz YBLUKQNJDYDZPB-LJQANCHMSA-N 2 1 361.534 3.055 20 0 FGADMP c1cnc(Oc2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000367472402 499203252 /nfs/dbraw/zinc/20/32/52/499203252.db2.gz KQAVONBXJAGRFP-HOJAQTOUSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000367472402 499203253 /nfs/dbraw/zinc/20/32/53/499203253.db2.gz KQAVONBXJAGRFP-HOJAQTOUSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000367472402 499203254 /nfs/dbraw/zinc/20/32/54/499203254.db2.gz KQAVONBXJAGRFP-HOJAQTOUSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000367472402 499203256 /nfs/dbraw/zinc/20/32/56/499203256.db2.gz KQAVONBXJAGRFP-HOJAQTOUSA-N 2 1 350.466 3.185 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000367474237 499203562 /nfs/dbraw/zinc/20/35/62/499203562.db2.gz BOMNETDXNNUKAR-UHFFFAOYSA-N 2 1 372.557 3.297 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](Cc2ccccc2)C(N)=O)cc1F ZINC000370322068 499209467 /nfs/dbraw/zinc/20/94/67/499209467.db2.gz CJOADRSVMXLYRU-LIRRHRJNSA-N 2 1 366.440 3.067 20 0 FGADMP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000370411000 499217867 /nfs/dbraw/zinc/21/78/67/499217867.db2.gz UXWMXZWOMLWNIS-UNMCSNQZSA-N 2 1 369.509 3.280 20 0 FGADMP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000370411000 499217869 /nfs/dbraw/zinc/21/78/69/499217869.db2.gz UXWMXZWOMLWNIS-UNMCSNQZSA-N 2 1 369.509 3.280 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000370763848 499252497 /nfs/dbraw/zinc/25/24/97/499252497.db2.gz PWJXGYVJMUVZPB-VCOUNFBDSA-N 2 1 365.521 3.351 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cn1C ZINC000368020306 499255985 /nfs/dbraw/zinc/25/59/85/499255985.db2.gz VBKDXCHJCWNHTN-YJBOKZPZSA-N 2 1 361.511 3.046 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)cn1C ZINC000368020306 499255987 /nfs/dbraw/zinc/25/59/87/499255987.db2.gz VBKDXCHJCWNHTN-YJBOKZPZSA-N 2 1 361.511 3.046 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)ccc1OCC[NH+]1CCCC1 ZINC000368230327 499276152 /nfs/dbraw/zinc/27/61/52/499276152.db2.gz BIHKRXJTFMMAEP-SFHVURJKSA-N 2 1 368.481 3.182 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)CC[N@H+]1C ZINC000368249525 499278218 /nfs/dbraw/zinc/27/82/18/499278218.db2.gz LYXYONHQONEEAN-JFZIVLOISA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000368249525 499278221 /nfs/dbraw/zinc/27/82/21/499278221.db2.gz LYXYONHQONEEAN-JFZIVLOISA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH+]1C ZINC000368249525 499278222 /nfs/dbraw/zinc/27/82/22/499278222.db2.gz LYXYONHQONEEAN-JFZIVLOISA-N 2 1 369.553 3.134 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cc4ccccc4[nH]3)CC2)CC1 ZINC000371085728 499287476 /nfs/dbraw/zinc/28/74/76/499287476.db2.gz JLDWIUTXPAYDGU-UHFFFAOYSA-N 2 1 368.525 3.094 20 0 FGADMP C[C@H](CCC(C)(C)C)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368367512 499289546 /nfs/dbraw/zinc/28/95/46/499289546.db2.gz REIYDSIOBRZJMF-AEFFLSMTSA-N 2 1 352.567 3.011 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@@H+](C[C@@H]4CCCO4)C[C@@H]3C)cc(=O)oc2c1 ZINC000368417925 499293885 /nfs/dbraw/zinc/29/38/85/499293885.db2.gz VEKOOQNLLSVGHN-XKGZKEIXSA-N 2 1 370.493 3.080 20 0 FGADMP Cc1ccc2c(C[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C)cc(=O)oc2c1 ZINC000368417925 499293887 /nfs/dbraw/zinc/29/38/87/499293887.db2.gz VEKOOQNLLSVGHN-XKGZKEIXSA-N 2 1 370.493 3.080 20 0 FGADMP Fc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000368434895 499295470 /nfs/dbraw/zinc/29/54/70/499295470.db2.gz QMAXDLRZXRZUCZ-ZDUSSCGKSA-N 2 1 357.351 3.316 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368440644 499296258 /nfs/dbraw/zinc/29/62/58/499296258.db2.gz GDJSTTZAWQKMBL-QGZVFWFLSA-N 2 1 355.511 3.019 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000368440644 499296260 /nfs/dbraw/zinc/29/62/60/499296260.db2.gz GDJSTTZAWQKMBL-QGZVFWFLSA-N 2 1 355.511 3.019 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371258321 499303185 /nfs/dbraw/zinc/30/31/85/499303185.db2.gz NGSXPUJEKBKHJA-CQQLTZKSSA-N 2 1 364.505 3.117 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000371258321 499303187 /nfs/dbraw/zinc/30/31/87/499303187.db2.gz NGSXPUJEKBKHJA-CQQLTZKSSA-N 2 1 364.505 3.117 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000371271569 499304568 /nfs/dbraw/zinc/30/45/68/499304568.db2.gz SEWOJSJDRUXSBC-FCHUYYIVSA-N 2 1 363.505 3.415 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000368624721 499314851 /nfs/dbraw/zinc/31/48/51/499314851.db2.gz OJPCIVGMWALDIM-GOSISDBHSA-N 2 1 370.493 3.411 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(-c4cccs4)on3)CC2)CC1 ZINC000368834343 499337679 /nfs/dbraw/zinc/33/76/79/499337679.db2.gz NSGDKVOUIRHBHA-UHFFFAOYSA-N 2 1 374.554 3.253 20 0 FGADMP COC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001771 499355540 /nfs/dbraw/zinc/35/55/40/499355540.db2.gz QQLLRFRACXLZNF-SFTDATJTSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001771 499355542 /nfs/dbraw/zinc/35/55/42/499355542.db2.gz QQLLRFRACXLZNF-SFTDATJTSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001771 499355544 /nfs/dbraw/zinc/35/55/44/499355544.db2.gz QQLLRFRACXLZNF-SFTDATJTSA-N 2 1 358.526 3.169 20 0 FGADMP O=c1ccccn1Cc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1 ZINC000371979947 499386305 /nfs/dbraw/zinc/38/63/05/499386305.db2.gz VLWGGZNJIPXRFD-UHFFFAOYSA-N 2 1 365.521 3.393 20 0 FGADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccccc1 ZINC000372056004 499394094 /nfs/dbraw/zinc/39/40/94/499394094.db2.gz XIKYBOWDIGIMNT-QHGDMDKLSA-N 2 1 360.542 3.020 20 0 FGADMP Cc1ccc([C@H](C)N(C)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369363256 499395565 /nfs/dbraw/zinc/39/55/65/499395565.db2.gz KJCSAXZFWSLUCR-OALUTQOASA-N 2 1 372.557 3.174 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000372085448 499397741 /nfs/dbraw/zinc/39/77/41/499397741.db2.gz IZRBHHUVADQCQD-RTBURBONSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000372085448 499397743 /nfs/dbraw/zinc/39/77/43/499397743.db2.gz IZRBHHUVADQCQD-RTBURBONSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000372085448 499397744 /nfs/dbraw/zinc/39/77/44/499397744.db2.gz IZRBHHUVADQCQD-RTBURBONSA-N 2 1 364.578 3.299 20 0 FGADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000372297660 499417760 /nfs/dbraw/zinc/41/77/60/499417760.db2.gz JKWUQKYHHAZKJF-JOCHJYFZSA-N 2 1 363.505 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369661934 499433316 /nfs/dbraw/zinc/43/33/16/499433316.db2.gz PXXVBZRRLMSPHG-IBGZPJMESA-N 2 1 372.557 3.064 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N2CCC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000369780621 499442663 /nfs/dbraw/zinc/44/26/63/499442663.db2.gz SSRDTHWFNIXGKS-LJQANCHMSA-N 2 1 374.529 3.109 20 0 FGADMP COc1cc(C[NH2+]CC2CC[NH+](Cc3csc(C)n3)CC2)ccc1O ZINC000373126065 499452794 /nfs/dbraw/zinc/45/27/94/499452794.db2.gz OPUCFNWRRIUIHD-UHFFFAOYSA-N 2 1 361.511 3.168 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000373223238 499458429 /nfs/dbraw/zinc/45/84/29/499458429.db2.gz HKCACSISQRXIFL-CRAIPNDOSA-N 2 1 368.518 3.146 20 0 FGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000373771981 499487228 /nfs/dbraw/zinc/48/72/28/499487228.db2.gz OKHCIORPGHZEBT-FBVQUNGASA-N 2 1 359.518 3.012 20 0 FGADMP CC[C@@H]1CN(C(=O)c2ccn3c(C)cnc3c2)CC[N@@H+]1Cc1ccccc1 ZINC000573218440 506147134 /nfs/dbraw/zinc/14/71/34/506147134.db2.gz GNTNIPBOEBKIAT-HXUWFJFHSA-N 2 1 362.477 3.379 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425930 499515749 /nfs/dbraw/zinc/51/57/49/499515749.db2.gz GTGVSYCSXUZYIJ-YJBOKZPZSA-N 2 1 367.484 3.449 20 0 FGADMP CCN(CC)[C@H](CNC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccco1 ZINC000375437832 499518758 /nfs/dbraw/zinc/51/87/58/499518758.db2.gz MBGRVWFTOYGTGN-QGZVFWFLSA-N 2 1 373.501 3.037 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000388495683 499551207 /nfs/dbraw/zinc/55/12/07/499551207.db2.gz FXHRJXXMRQOCRU-KRWDZBQOSA-N 2 1 354.450 3.036 20 0 FGADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586232 499554487 /nfs/dbraw/zinc/55/44/87/499554487.db2.gz FOMNDEZJUVGAIO-QIJUGHKUSA-N 2 1 351.494 3.012 20 0 FGADMP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)CC2)cc1 ZINC000375802019 499556944 /nfs/dbraw/zinc/55/69/44/499556944.db2.gz PVLHPFBZZGTOHO-VSKRKVRLSA-N 2 1 356.558 3.184 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000375836546 499560540 /nfs/dbraw/zinc/56/05/40/499560540.db2.gz CUNHXLPARYOAKU-KRWDZBQOSA-N 2 1 353.388 3.202 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000579336794 506150009 /nfs/dbraw/zinc/15/00/09/506150009.db2.gz XDCVMMCCEDDVJL-XPWALMASSA-N 3 1 371.569 3.166 20 0 FGADMP CN1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000579336794 506150012 /nfs/dbraw/zinc/15/00/12/506150012.db2.gz XDCVMMCCEDDVJL-XPWALMASSA-N 2 1 371.569 3.166 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000375893160 499565526 /nfs/dbraw/zinc/56/55/26/499565526.db2.gz XHVPSISNKNSDLI-GOSISDBHSA-N 2 1 372.944 3.489 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000375906447 499567399 /nfs/dbraw/zinc/56/73/99/499567399.db2.gz PFMBLLSJTFTDGD-OAQYLSRUSA-N 2 1 371.569 3.415 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000375908401 499567566 /nfs/dbraw/zinc/56/75/66/499567566.db2.gz WVMSNZWQJOLQLA-QGZVFWFLSA-N 2 1 371.447 3.186 20 0 FGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000376940220 499648059 /nfs/dbraw/zinc/64/80/59/499648059.db2.gz FVVCAOWEHRULJR-SLFFLAALSA-N 2 1 352.563 3.452 20 0 FGADMP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N[C@H]1CCOc2ccccc21 ZINC000376997466 499653001 /nfs/dbraw/zinc/65/30/01/499653001.db2.gz LZTHGKJUMYABSN-FQEVSTJZSA-N 2 1 371.525 3.013 20 0 FGADMP C[N@H+](CC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)Cc1ccccc1 ZINC000410292454 499653281 /nfs/dbraw/zinc/65/32/81/499653281.db2.gz ILYYHDHSJKQFJF-IBGZPJMESA-N 2 1 366.509 3.057 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1)Cc1ccccc1 ZINC000410292454 499653283 /nfs/dbraw/zinc/65/32/83/499653283.db2.gz ILYYHDHSJKQFJF-IBGZPJMESA-N 2 1 366.509 3.057 20 0 FGADMP CC(C)c1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1 ZINC000377317197 499679419 /nfs/dbraw/zinc/67/94/19/499679419.db2.gz OUSDSVSGNHNCRN-UHFFFAOYSA-N 2 1 372.557 3.131 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322905 499679874 /nfs/dbraw/zinc/67/98/74/499679874.db2.gz RMAZRRRTBCCJFB-ZWKOTPCHSA-N 2 1 373.545 3.015 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322905 499679875 /nfs/dbraw/zinc/67/98/75/499679875.db2.gz RMAZRRRTBCCJFB-ZWKOTPCHSA-N 2 1 373.545 3.015 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377629189 499712786 /nfs/dbraw/zinc/71/27/86/499712786.db2.gz RAPBSLRSTDAHQG-IBGZPJMESA-N 2 1 372.582 3.057 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000377629189 499712787 /nfs/dbraw/zinc/71/27/87/499712787.db2.gz RAPBSLRSTDAHQG-IBGZPJMESA-N 2 1 372.582 3.057 20 0 FGADMP CN(Cc1cnc(C(C)(C)C)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377634822 499713589 /nfs/dbraw/zinc/71/35/89/499713589.db2.gz YUFKHYREGQCGBG-MRXNPFEDSA-N 2 1 350.576 3.041 20 0 FGADMP C[N@@H+](Cc1cnc(C(C)(C)C)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377634822 499713594 /nfs/dbraw/zinc/71/35/94/499713594.db2.gz YUFKHYREGQCGBG-MRXNPFEDSA-N 2 1 350.576 3.041 20 0 FGADMP Cn1c2ccc(C[N@@H+](C)C3CCN(c4cc[nH+]cc4)CC3)cc2sc1=O ZINC000377698568 499721784 /nfs/dbraw/zinc/72/17/84/499721784.db2.gz PULGRINKCLBEDR-UHFFFAOYSA-N 2 1 368.506 3.096 20 0 FGADMP C[N@@H+](Cc1ccccc1N1CCOCC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377708219 499723354 /nfs/dbraw/zinc/72/33/54/499723354.db2.gz YFTONZUJOYWYTC-UHFFFAOYSA-N 2 1 366.509 3.019 20 0 FGADMP CCN1CCC([NH+](C)CCC(C)CC[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000411305994 499724246 /nfs/dbraw/zinc/72/42/46/499724246.db2.gz KPCKTZVPRWWMPG-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP c1cn(-c2ccc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756893 499729236 /nfs/dbraw/zinc/72/92/36/499729236.db2.gz BAJRIZVAYIBOEI-YADHBBJMSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756893 499729238 /nfs/dbraw/zinc/72/92/38/499729238.db2.gz BAJRIZVAYIBOEI-YADHBBJMSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756893 499729239 /nfs/dbraw/zinc/72/92/39/499729239.db2.gz BAJRIZVAYIBOEI-YADHBBJMSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cn2)cn1 ZINC000377756893 499729241 /nfs/dbraw/zinc/72/92/41/499729241.db2.gz BAJRIZVAYIBOEI-YADHBBJMSA-N 2 1 373.504 3.221 20 0 FGADMP C[N@H+]1CC[C@H](CNCc2nccn2CC(F)(F)F)[C@@H]1c1ccccc1 ZINC000377763734 499730053 /nfs/dbraw/zinc/73/00/53/499730053.db2.gz RYKYTVZFMRBOBK-WBVHZDCISA-N 2 1 352.404 3.228 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401794 499734922 /nfs/dbraw/zinc/73/49/22/499734922.db2.gz RHRMNIVFGULDLB-VJBWXMMDSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401794 499734923 /nfs/dbraw/zinc/73/49/23/499734923.db2.gz RHRMNIVFGULDLB-VJBWXMMDSA-N 3 1 371.569 3.356 20 0 FGADMP CCN1C[C@H](C)[NH+](CCC(C)CC[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000411416645 499737366 /nfs/dbraw/zinc/73/73/66/499737366.db2.gz CZYUWGLSEBCWCI-CMOCDZPBSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[N@H+](CCC(C)CCN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000411416645 499737370 /nfs/dbraw/zinc/73/73/70/499737370.db2.gz CZYUWGLSEBCWCI-CMOCDZPBSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[N@@H+](CCC(C)CCN2C[C@H](C)[NH+](CC)C[C@@H]2C)C[C@@H]1C ZINC000411416645 499737371 /nfs/dbraw/zinc/73/73/71/499737371.db2.gz CZYUWGLSEBCWCI-CMOCDZPBSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[NH+](CCC(C)CCN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000411416645 499737373 /nfs/dbraw/zinc/73/73/73/499737373.db2.gz CZYUWGLSEBCWCI-CMOCDZPBSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@H](C)[NH+](CCC(C)CCN2C[C@H](C)[N@@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000411416645 499737375 /nfs/dbraw/zinc/73/73/75/499737375.db2.gz CZYUWGLSEBCWCI-CMOCDZPBSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000377870038 499743847 /nfs/dbraw/zinc/74/38/47/499743847.db2.gz SADVVSVNHCEZSP-FXAWDEMLSA-N 2 1 374.960 3.253 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414131749 499763328 /nfs/dbraw/zinc/76/33/28/499763328.db2.gz YKJBJLXWZSCNSJ-ZHALLVOQSA-N 2 1 363.933 3.153 20 0 FGADMP O=C(C1CC1)N1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411599168 499767675 /nfs/dbraw/zinc/76/76/75/499767675.db2.gz BMVVLJSAKNTHQM-UHFFFAOYSA-N 2 1 355.526 3.117 20 0 FGADMP O=C(C1CC1)N1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411599168 499767676 /nfs/dbraw/zinc/76/76/76/499767676.db2.gz BMVVLJSAKNTHQM-UHFFFAOYSA-N 2 1 355.526 3.117 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000411632120 499770970 /nfs/dbraw/zinc/77/09/70/499770970.db2.gz OOHKHSLTUXSSJE-UHFFFAOYSA-N 2 1 353.470 3.049 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1nc2ccccc2c(=O)[nH]1 ZINC000411632120 499770971 /nfs/dbraw/zinc/77/09/71/499770971.db2.gz OOHKHSLTUXSSJE-UHFFFAOYSA-N 2 1 353.470 3.049 20 0 FGADMP O[C@@H]1C[C@H]([C@@H]2CCCOC2)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785391 499790302 /nfs/dbraw/zinc/79/03/02/499790302.db2.gz JRVBQLZJLVXRLG-YPAWHYETSA-N 2 1 358.526 3.034 20 0 FGADMP O[C@@H]1C[C@H]([C@H]2CCCOC2)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785385 499790310 /nfs/dbraw/zinc/79/03/10/499790310.db2.gz JRVBQLZJLVXRLG-BHDDXSALSA-N 2 1 358.526 3.034 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000411997460 499811616 /nfs/dbraw/zinc/81/16/16/499811616.db2.gz IAMLXJHOLZDUSK-LEWJYISDSA-N 2 1 357.542 3.245 20 0 FGADMP COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1Cl ZINC000412040718 499816318 /nfs/dbraw/zinc/81/63/18/499816318.db2.gz MDOACRBYXDCCAZ-UHFFFAOYSA-N 2 1 353.938 3.197 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670382 499819288 /nfs/dbraw/zinc/81/92/88/499819288.db2.gz DCVLUWXHQHMWBH-DYVFJYSZSA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714843 499822232 /nfs/dbraw/zinc/82/22/32/499822232.db2.gz VYWYIVUEWAKVJA-NHCUHLMSSA-N 2 1 357.542 3.061 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733430 499824444 /nfs/dbraw/zinc/82/44/44/499824444.db2.gz AWMVGQOFBAQLHX-KEYYUXOJSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733430 499824446 /nfs/dbraw/zinc/82/44/46/499824446.db2.gz AWMVGQOFBAQLHX-KEYYUXOJSA-N 2 1 353.304 3.211 20 0 FGADMP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414741566 499825669 /nfs/dbraw/zinc/82/56/69/499825669.db2.gz RZSJIGLSIXPIDI-STQMWFEESA-N 2 1 357.420 3.143 20 0 FGADMP CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414752687 499826854 /nfs/dbraw/zinc/82/68/54/499826854.db2.gz LBZBJRSCJIXIHF-HIFRSBDPSA-N 2 1 372.340 3.320 20 0 FGADMP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760646 499827544 /nfs/dbraw/zinc/82/75/44/499827544.db2.gz YTVDWBWGFPFBDI-STQMWFEESA-N 2 1 370.324 3.110 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CNCC[C@H]2c2ccc(OC)cc2)ccc1OC ZINC000414884995 499841227 /nfs/dbraw/zinc/84/12/27/499841227.db2.gz OTTUPRCTFGRGGO-PMACEKPBSA-N 2 1 370.493 3.338 20 0 FGADMP c1cncc(-c2cccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c2)c1 ZINC000415050574 499858310 /nfs/dbraw/zinc/85/83/10/499858310.db2.gz INGKZYWMQZHCCG-UHFFFAOYSA-N 2 1 350.510 3.055 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415057412 499859461 /nfs/dbraw/zinc/85/94/61/499859461.db2.gz SNYOMVOOCOTYDW-CXAGYDPISA-N 2 1 363.303 3.052 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415057412 499859463 /nfs/dbraw/zinc/85/94/63/499859463.db2.gz SNYOMVOOCOTYDW-CXAGYDPISA-N 2 1 363.303 3.052 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072081 499860626 /nfs/dbraw/zinc/86/06/26/499860626.db2.gz XOGDGKCMLTUMOP-LRDDRELGSA-N 2 1 373.419 3.409 20 0 FGADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000415073292 499860899 /nfs/dbraw/zinc/86/08/99/499860899.db2.gz YEKJAIZCUFUGBE-IBGZPJMESA-N 2 1 364.559 3.120 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OCC(F)(F)F ZINC000415101886 499863686 /nfs/dbraw/zinc/86/36/86/499863686.db2.gz BUHQDQOOQYTXNK-DZGCQCFKSA-N 2 1 360.420 3.443 20 0 FGADMP C[C@@]1(C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]C1 ZINC000415111272 499865211 /nfs/dbraw/zinc/86/52/11/499865211.db2.gz UGHSPCPNBMBTOG-DUXKGJEZSA-N 2 1 352.482 3.090 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124002 499866722 /nfs/dbraw/zinc/86/67/22/499866722.db2.gz LXXUIDHGLNHPSK-VXKWHMMOSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415124002 499866724 /nfs/dbraw/zinc/86/67/24/499866724.db2.gz LXXUIDHGLNHPSK-VXKWHMMOSA-N 2 1 373.585 3.363 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(Br)c3)CC2)C1 ZINC000415130615 499867642 /nfs/dbraw/zinc/86/76/42/499867642.db2.gz XKKZDLIGGYAQQZ-KBPBESRZSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Br)c3)CC2)C1 ZINC000415130617 499867663 /nfs/dbraw/zinc/86/76/63/499867663.db2.gz XKKZDLIGGYAQQZ-UONOGXRCSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Br)c3)CC2)C1 ZINC000415130618 499867713 /nfs/dbraw/zinc/86/77/13/499867713.db2.gz XKKZDLIGGYAQQZ-ZIAGYGMSSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000415132430 499868624 /nfs/dbraw/zinc/86/86/24/499868624.db2.gz UEQVGAUVTXPYGI-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415901159 499926149 /nfs/dbraw/zinc/92/61/49/499926149.db2.gz UNHDJNAYWOWNQQ-OAQYLSRUSA-N 2 1 364.493 3.071 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415915062 499928047 /nfs/dbraw/zinc/92/80/47/499928047.db2.gz XWXDYGCUVJBZMN-IBGZPJMESA-N 2 1 366.509 3.392 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415943011 499931406 /nfs/dbraw/zinc/93/14/06/499931406.db2.gz LERHIIBZHOLSBU-FQEVSTJZSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415946187 499931855 /nfs/dbraw/zinc/93/18/55/499931855.db2.gz SYRMOMUJJRNOHF-FQEVSTJZSA-N 2 1 366.509 3.392 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972298 499935751 /nfs/dbraw/zinc/93/57/51/499935751.db2.gz HZIFPYRLEGSAKP-UZLBHIALSA-N 2 1 352.482 3.177 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415976870 499936175 /nfs/dbraw/zinc/93/61/75/499936175.db2.gz VYDSXSHVZHDXKS-STQMWFEESA-N 2 1 372.435 3.406 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415996080 499939177 /nfs/dbraw/zinc/93/91/77/499939177.db2.gz LYNIBBLNZXNYCT-IRXDYDNUSA-N 2 1 356.514 3.408 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000416008688 499940462 /nfs/dbraw/zinc/94/04/62/499940462.db2.gz MQMVHGCXCLYBGT-OAQYLSRUSA-N 2 1 364.493 3.322 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000570425231 506166110 /nfs/dbraw/zinc/16/61/10/506166110.db2.gz MNIBAZVFAMONPJ-PMACEKPBSA-N 2 1 364.493 3.131 20 0 FGADMP O=C(CC[N@H+]1CCc2ccccc2C1)NCCCCC[NH+]1CCCCC1 ZINC000416161830 499964704 /nfs/dbraw/zinc/96/47/04/499964704.db2.gz SASZIWVEJBWASU-UHFFFAOYSA-N 2 1 357.542 3.207 20 0 FGADMP C[C@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000576478218 506168215 /nfs/dbraw/zinc/16/82/15/506168215.db2.gz SSPHKXGNCMHZPT-AVRDEDQJSA-N 2 1 365.521 3.184 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015181 499983974 /nfs/dbraw/zinc/98/39/74/499983974.db2.gz XGZMCFWBXKYMMD-QGZVFWFLSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015181 499983975 /nfs/dbraw/zinc/98/39/75/499983975.db2.gz XGZMCFWBXKYMMD-QGZVFWFLSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C2)C1 ZINC000429015181 499983976 /nfs/dbraw/zinc/98/39/76/499983976.db2.gz XGZMCFWBXKYMMD-QGZVFWFLSA-N 2 1 356.297 3.350 20 0 FGADMP C(=C/C[N@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033361 499989332 /nfs/dbraw/zinc/98/93/32/499989332.db2.gz FXGXBHVOWWNDLV-HSMZSTHASA-N 2 1 362.558 3.040 20 0 FGADMP CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)N[C@H](C)c2ncc[nH]2)C1 ZINC000582251324 506169217 /nfs/dbraw/zinc/16/92/17/506169217.db2.gz REXHIRJPNIBQKM-OAHLLOKOSA-N 2 1 365.481 3.008 20 0 FGADMP CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2)[NH+](CC)CC ZINC000425081636 500014063 /nfs/dbraw/zinc/01/40/63/500014063.db2.gz OALXZIPKLJBFAV-CQSZACIVSA-N 2 1 352.548 3.359 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)CC1 ZINC000421333417 500019718 /nfs/dbraw/zinc/01/97/18/500019718.db2.gz NVKJAZDCVBVJPD-UHFFFAOYSA-N 2 1 363.505 3.241 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(C4CCC4)s3)CC2)CC1 ZINC000421365281 500028887 /nfs/dbraw/zinc/02/88/87/500028887.db2.gz BAPMYPUCCOCGIT-UHFFFAOYSA-N 2 1 362.587 3.403 20 0 FGADMP CC(C)c1cc(NC2CC[NH+]([C@H](C)c3ccncc3)CC2)nc(N(C)C)[nH+]1 ZINC000425237228 500052065 /nfs/dbraw/zinc/05/20/65/500052065.db2.gz LCKZFZAFGBZGSF-MRXNPFEDSA-N 2 1 368.529 3.120 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)CC(F)(F)F ZINC000573331082 506173982 /nfs/dbraw/zinc/17/39/82/506173982.db2.gz LADVCWOQOVLTBW-MRXNPFEDSA-N 2 1 355.448 3.038 20 0 FGADMP O[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296126 506179929 /nfs/dbraw/zinc/17/99/29/506179929.db2.gz RGGOVPOXNPQNDT-PUHATCMVSA-N 2 1 366.505 3.310 20 0 FGADMP O[C@H](CN[C@H]1CC[N@H+]2CCCC[C@@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296126 506179933 /nfs/dbraw/zinc/17/99/33/506179933.db2.gz RGGOVPOXNPQNDT-PUHATCMVSA-N 2 1 366.505 3.310 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@@H]1CC[NH2+]C1 ZINC000416978467 500173477 /nfs/dbraw/zinc/17/34/77/500173477.db2.gz RJJWSCBUZHFYQD-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000417811943 500177207 /nfs/dbraw/zinc/17/72/07/500177207.db2.gz KJTJWWKLHBMOFZ-QZTJIDSGSA-N 2 1 368.525 3.416 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000417826454 500179614 /nfs/dbraw/zinc/17/96/14/500179614.db2.gz OISGXCVDAVNARR-HXUWFJFHSA-N 2 1 372.488 3.037 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997862 500179749 /nfs/dbraw/zinc/17/97/49/500179749.db2.gz WIIARWGKWOFUIJ-BMQTXXJKSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000579464545 506180977 /nfs/dbraw/zinc/18/09/77/506180977.db2.gz YRAXHOXIVRVYLU-GOSISDBHSA-N 2 1 366.509 3.432 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417843040 500182748 /nfs/dbraw/zinc/18/27/48/500182748.db2.gz QDEREZIVFKRAMQ-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000417852487 500184313 /nfs/dbraw/zinc/18/43/13/500184313.db2.gz ZKTRXQMRZQHTIC-IWFBPKFRSA-N 2 1 372.557 3.104 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000417878088 500189972 /nfs/dbraw/zinc/18/99/72/500189972.db2.gz OQJNGSVLMKGIHT-RTWAWAEBSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000417888222 500192343 /nfs/dbraw/zinc/19/23/43/500192343.db2.gz IRUMWEBWYUWHJB-WRJHFWDFSA-N 2 1 372.557 3.054 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000417927772 500199378 /nfs/dbraw/zinc/19/93/78/500199378.db2.gz QLFMTSCDDJXAEK-QFUCXCTJSA-N 2 1 372.557 3.104 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417935570 500200560 /nfs/dbraw/zinc/20/05/60/500200560.db2.gz ZTAXVFXDINNKLP-QWFCFKBJSA-N 2 1 360.546 3.104 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418012279 500214259 /nfs/dbraw/zinc/21/42/59/500214259.db2.gz VVIXATZAQTXBIN-CSMYWGQOSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418012279 500214260 /nfs/dbraw/zinc/21/42/60/500214260.db2.gz VVIXATZAQTXBIN-CSMYWGQOSA-N 2 1 370.900 3.039 20 0 FGADMP COc1ccccc1CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998207 500223430 /nfs/dbraw/zinc/22/34/30/500223430.db2.gz GTNYCMXCCDPVLK-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP COc1ccccc1CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998207 500223433 /nfs/dbraw/zinc/22/34/33/500223433.db2.gz GTNYCMXCCDPVLK-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP COc1ccccc1CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425998207 500223435 /nfs/dbraw/zinc/22/34/35/500223435.db2.gz GTNYCMXCCDPVLK-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP COc1ccccc1CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425998207 500223437 /nfs/dbraw/zinc/22/34/37/500223437.db2.gz GTNYCMXCCDPVLK-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP CCn1cncc1C[N@@H+](C)C1CCN(Cc2ncc(C)c(OC)c2C)CC1 ZINC000418072653 500225490 /nfs/dbraw/zinc/22/54/90/500225490.db2.gz VIKBKSQYGVZCQQ-UHFFFAOYSA-N 2 1 371.529 3.020 20 0 FGADMP CCn1cncc1C[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000418072653 500225493 /nfs/dbraw/zinc/22/54/93/500225493.db2.gz VIKBKSQYGVZCQQ-UHFFFAOYSA-N 2 1 371.529 3.020 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2CCC([NH+](C)C)CC2)cc1 ZINC000422178331 500227635 /nfs/dbraw/zinc/22/76/35/500227635.db2.gz CWDJBNBIDMMORC-MNNVXMFVSA-N 2 1 369.513 3.414 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418150639 500237694 /nfs/dbraw/zinc/23/76/94/500237694.db2.gz DCCGFGOVKNWBGL-WOJBJXKFSA-N 2 1 374.573 3.302 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418150820 500237794 /nfs/dbraw/zinc/23/77/94/500237794.db2.gz DKDSQTBDGMDLHR-WOJBJXKFSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163596 500240254 /nfs/dbraw/zinc/24/02/54/500240254.db2.gz DRMJMVYGZVQVAT-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418284495 500259208 /nfs/dbraw/zinc/25/92/08/500259208.db2.gz MXUJNANILHZZAJ-UHFFFAOYSA-N 2 1 352.567 3.192 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430595467 500260401 /nfs/dbraw/zinc/26/04/01/500260401.db2.gz MFPKIHKHZOVDRS-BBTUJRGHSA-N 2 1 365.521 3.340 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430595467 500260402 /nfs/dbraw/zinc/26/04/02/500260402.db2.gz MFPKIHKHZOVDRS-BBTUJRGHSA-N 2 1 365.521 3.340 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000418354367 500267351 /nfs/dbraw/zinc/26/73/51/500267351.db2.gz OJEXOULQWFLONP-UXHICEINSA-N 2 1 360.546 3.326 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418421748 500274257 /nfs/dbraw/zinc/27/42/57/500274257.db2.gz CUUDNFGYPYFEDH-GHTZIAJQSA-N 2 1 372.557 3.373 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418431028 500275906 /nfs/dbraw/zinc/27/59/06/500275906.db2.gz WBFZKQFPLZVEKB-NJYVYQBISA-N 2 1 372.557 3.056 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422703501 500287621 /nfs/dbraw/zinc/28/76/21/500287621.db2.gz HWJWRMODJUJYTG-TZMCWYRMSA-N 2 1 361.287 3.186 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418590898 500294406 /nfs/dbraw/zinc/29/44/06/500294406.db2.gz UGLYKWSCXFRQRQ-HKUYNNGSSA-N 2 1 370.541 3.086 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000418652621 500301044 /nfs/dbraw/zinc/30/10/44/500301044.db2.gz MYLHCLPILLARQK-HXUWFJFHSA-N 2 1 372.513 3.005 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672627 500304710 /nfs/dbraw/zinc/30/47/10/500304710.db2.gz SBIROOONAGJOGC-GMAHTHKFSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672627 500304714 /nfs/dbraw/zinc/30/47/14/500304714.db2.gz SBIROOONAGJOGC-GMAHTHKFSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672627 500304718 /nfs/dbraw/zinc/30/47/18/500304718.db2.gz SBIROOONAGJOGC-GMAHTHKFSA-N 2 1 367.537 3.128 20 0 FGADMP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875601 500308860 /nfs/dbraw/zinc/30/88/60/500308860.db2.gz FEIUNROMUVACSW-WEMPKCCASA-N 2 1 359.558 3.021 20 0 FGADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@@H]1[NH3+] ZINC000430966430 500314323 /nfs/dbraw/zinc/31/43/23/500314323.db2.gz OSVPDWFHBMZDOI-WMZOPIPTSA-N 2 1 353.466 3.477 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cnccc3N)CC2)cs1 ZINC000422907008 500314889 /nfs/dbraw/zinc/31/48/89/500314889.db2.gz ARYBFQSQRCVNKG-CQSZACIVSA-N 2 1 359.543 3.076 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916283 500316171 /nfs/dbraw/zinc/31/61/71/500316171.db2.gz DFJRVIYQJGYABN-YADHBBJMSA-N 2 1 350.510 3.381 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000431018977 500324417 /nfs/dbraw/zinc/32/44/17/500324417.db2.gz ZEOMPCWULQLQMW-DGQTTZFYSA-N 2 1 371.525 3.266 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](CC)c1ccccc1OCC)C1CC[NH2+]CC1 ZINC000431073914 500331882 /nfs/dbraw/zinc/33/18/82/500331882.db2.gz NSVSMFPXFJLSQA-IBGZPJMESA-N 2 1 361.530 3.117 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](CC)c1ccccc1OCC)C1CC[NH2+]CC1 ZINC000431073914 500331883 /nfs/dbraw/zinc/33/18/83/500331883.db2.gz NSVSMFPXFJLSQA-IBGZPJMESA-N 2 1 361.530 3.117 20 0 FGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075549 500339145 /nfs/dbraw/zinc/33/91/45/500339145.db2.gz XIGYMZUEKKJFSU-DNVCBOLYSA-N 2 1 369.900 3.277 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423087749 500340708 /nfs/dbraw/zinc/34/07/08/500340708.db2.gz QGJBDAWMBAODSX-NHHFINERSA-N 2 1 359.480 3.302 20 0 FGADMP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103149 500342623 /nfs/dbraw/zinc/34/26/23/500342623.db2.gz KSPSRXKVHLSBRA-CHWSQXEVSA-N 2 1 373.360 3.289 20 0 FGADMP CN(C)C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103283 500342698 /nfs/dbraw/zinc/34/26/98/500342698.db2.gz GFKIXWHBBKLYJG-URVUXULASA-N 2 1 369.484 3.274 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]1 ZINC000423153508 500349138 /nfs/dbraw/zinc/34/91/38/500349138.db2.gz HLZZKODSCNXOEP-QGTPRVQTSA-N 2 1 369.347 3.029 20 0 FGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000423268624 500360406 /nfs/dbraw/zinc/36/04/06/500360406.db2.gz GRONVJMHCNOFTB-RNCFNFMXSA-N 2 1 350.219 3.064 20 0 FGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423301038 500362732 /nfs/dbraw/zinc/36/27/32/500362732.db2.gz FEKPSDJUTNSKOS-PMACEKPBSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423334268 500364642 /nfs/dbraw/zinc/36/46/42/500364642.db2.gz SMYFFZZFYAFWMG-MRXNPFEDSA-N 2 1 350.466 3.445 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000431339882 500365897 /nfs/dbraw/zinc/36/58/97/500365897.db2.gz ZNQKEQHFLXTTTF-YLJYHZDGSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000431339882 500365898 /nfs/dbraw/zinc/36/58/98/500365898.db2.gz ZNQKEQHFLXTTTF-YLJYHZDGSA-N 2 1 373.541 3.201 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)C1 ZINC000423361976 500367415 /nfs/dbraw/zinc/36/74/15/500367415.db2.gz HIDGPIQFFOUUAN-NHAYFPRASA-N 2 1 374.479 3.460 20 0 FGADMP Cc1cc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000427231378 500371488 /nfs/dbraw/zinc/37/14/88/500371488.db2.gz KTUWCGHDMZHDAF-FQEVSTJZSA-N 2 1 358.530 3.117 20 0 FGADMP COCC1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000423409568 500371774 /nfs/dbraw/zinc/37/17/74/500371774.db2.gz QLIBESDOPKWHOP-UHFFFAOYSA-N 3 1 359.558 3.035 20 0 FGADMP Fc1ccccc1-c1nc2c(s1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423499441 500379559 /nfs/dbraw/zinc/37/95/59/500379559.db2.gz CNCRBRGAXXRLPW-XJKSGUPXSA-N 2 1 361.486 3.295 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1OC(F)F ZINC000423511612 500380196 /nfs/dbraw/zinc/38/01/96/500380196.db2.gz NROQBUPPWBSYJP-IUDNXUCKSA-N 2 1 371.447 3.294 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000423513383 500381068 /nfs/dbraw/zinc/38/10/68/500381068.db2.gz LHRZRCKPUQMOPT-HRAATJIYSA-N 2 1 358.457 3.434 20 0 FGADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513711 500381317 /nfs/dbraw/zinc/38/13/17/500381317.db2.gz RVBDMLPTXAYQFK-LZBANZJXSA-N 2 1 359.558 3.034 20 0 FGADMP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423522768 500381900 /nfs/dbraw/zinc/38/19/00/500381900.db2.gz RQKFQXFCQKUSNQ-CVEARBPZSA-N 2 1 361.486 3.295 20 0 FGADMP Fc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc2)nc1 ZINC000423525294 500382115 /nfs/dbraw/zinc/38/21/15/500382115.db2.gz YAJAOKBNUQWUNA-QETWGEEDSA-N 2 1 368.500 3.116 20 0 FGADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423527228 500382427 /nfs/dbraw/zinc/38/24/27/500382427.db2.gz MBGNUNQXNHFNLZ-LSTHTHJFSA-N 2 1 354.494 3.288 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000431571916 500393748 /nfs/dbraw/zinc/39/37/48/500393748.db2.gz UJFBPJXHXDJKDX-IBGZPJMESA-N 2 1 371.569 3.308 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000431571916 500393751 /nfs/dbraw/zinc/39/37/51/500393751.db2.gz UJFBPJXHXDJKDX-IBGZPJMESA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000423749318 500398624 /nfs/dbraw/zinc/39/86/24/500398624.db2.gz RNEQJPGKTXHNMU-IBGZPJMESA-N 2 1 365.521 3.487 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427503775 500399714 /nfs/dbraw/zinc/39/97/14/500399714.db2.gz FSTYYALGRYAQLI-PMACEKPBSA-N 2 1 372.557 3.045 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805304 500403263 /nfs/dbraw/zinc/40/32/63/500403263.db2.gz CVRPGOIQKFXAJO-JKSUJKDBSA-N 2 1 355.885 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805304 500403265 /nfs/dbraw/zinc/40/32/65/500403265.db2.gz CVRPGOIQKFXAJO-JKSUJKDBSA-N 2 1 355.885 3.104 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805302 500403385 /nfs/dbraw/zinc/40/33/85/500403385.db2.gz CVRPGOIQKFXAJO-HOTGVXAUSA-N 2 1 355.885 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805302 500403386 /nfs/dbraw/zinc/40/33/86/500403386.db2.gz CVRPGOIQKFXAJO-HOTGVXAUSA-N 2 1 355.885 3.104 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700441 500411006 /nfs/dbraw/zinc/41/10/06/500411006.db2.gz VGTNIQBDYATOSI-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@@]1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC[NH2+]1 ZINC000423851959 500411819 /nfs/dbraw/zinc/41/18/19/500411819.db2.gz RFMCPONZQVMDHB-QFIPXVFZSA-N 2 1 355.526 3.033 20 0 FGADMP [NH3+]CC1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900484 500417145 /nfs/dbraw/zinc/41/71/45/500417145.db2.gz KDHRCCNQRWJHLT-UXHICEINSA-N 2 1 355.526 3.019 20 0 FGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CCS2 ZINC000427697107 500421640 /nfs/dbraw/zinc/42/16/40/500421640.db2.gz MFFGWABRSQLTBN-FUHWJXTLSA-N 2 1 361.555 3.017 20 0 FGADMP CC[C@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)[N@@H+](C)Cc1ccccc1 ZINC000423981552 500429358 /nfs/dbraw/zinc/42/93/58/500429358.db2.gz XKQXYVWSZLMYSN-GOSISDBHSA-N 2 1 372.538 3.459 20 0 FGADMP C[C@](C[NH3+])([NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297659 500435657 /nfs/dbraw/zinc/43/56/57/500435657.db2.gz ZAFLUTSPAUNGGQ-VQTJNVASSA-N 2 1 357.523 3.061 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295022 500435769 /nfs/dbraw/zinc/43/57/69/500435769.db2.gz BUBDXPDCJUEEHC-UWJYYQICSA-N 2 1 351.494 3.034 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000420296153 500435874 /nfs/dbraw/zinc/43/58/74/500435874.db2.gz PZAVQADMOVPJMK-ZBEGNZNMSA-N 2 1 356.297 3.158 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306456 500438524 /nfs/dbraw/zinc/43/85/24/500438524.db2.gz LBBTYRGJEJVCNS-JSGCOSHPSA-N 2 1 361.287 3.075 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)NCCC[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000431894845 500440390 /nfs/dbraw/zinc/44/03/90/500440390.db2.gz VICVZTSOGFVMRA-QFIPXVFZSA-N 2 1 365.521 3.244 20 0 FGADMP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000424047725 500443354 /nfs/dbraw/zinc/44/33/54/500443354.db2.gz VXTTVBNNSMSLMT-UWJYYQICSA-N 2 1 351.494 3.189 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420331430 500443481 /nfs/dbraw/zinc/44/34/81/500443481.db2.gz BXORDXZSRLBSFW-ZCLUNYJNSA-N 2 1 357.542 3.136 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F)CC[NH2+]CC2 ZINC000424284730 500481060 /nfs/dbraw/zinc/48/10/60/500481060.db2.gz DWLKTSJNJBUWNX-ZDUSSCGKSA-N 2 1 353.869 3.272 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)CC1 ZINC000424375064 500492933 /nfs/dbraw/zinc/49/29/33/500492933.db2.gz JFDIWZIJBZYUPJ-HXUWFJFHSA-N 3 1 370.585 3.183 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424430917 500503484 /nfs/dbraw/zinc/50/34/84/500503484.db2.gz DVPAFHYBGNTXHB-UWJYYQICSA-N 2 1 366.509 3.486 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)c1 ZINC000424436350 500504992 /nfs/dbraw/zinc/50/49/92/500504992.db2.gz JWEMSEUCBFKXGT-UHFFFAOYSA-N 2 1 352.482 3.112 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413143 500512994 /nfs/dbraw/zinc/51/29/94/500512994.db2.gz KOAYSSUSAVPJPX-HMXCVIKNSA-N 2 1 360.542 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413143 500512996 /nfs/dbraw/zinc/51/29/96/500512996.db2.gz KOAYSSUSAVPJPX-HMXCVIKNSA-N 2 1 360.542 3.461 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CC3 ZINC000432420660 500513823 /nfs/dbraw/zinc/51/38/23/500513823.db2.gz CLABMPIKICETCJ-QZTJIDSGSA-N 2 1 355.526 3.424 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC3 ZINC000432420660 500513825 /nfs/dbraw/zinc/51/38/25/500513825.db2.gz CLABMPIKICETCJ-QZTJIDSGSA-N 2 1 355.526 3.424 20 0 FGADMP C[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000420888840 500523038 /nfs/dbraw/zinc/52/30/38/500523038.db2.gz HMPDPBQEMWVRQB-PELRDEGISA-N 2 1 372.557 3.023 20 0 FGADMP Cn1cc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C(C)(C)C)cn1 ZINC000420935968 500535168 /nfs/dbraw/zinc/53/51/68/500535168.db2.gz KHJBHRBWRNLSDJ-HXUWFJFHSA-N 2 1 356.514 3.129 20 0 FGADMP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1c1ccccc1 ZINC000420960890 500542303 /nfs/dbraw/zinc/54/23/03/500542303.db2.gz IDOVNWWVVJHGDZ-GOTSBHOMSA-N 2 1 365.521 3.054 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](CCOC)c3ccccc3)CC2)CC1 ZINC000420975967 500545980 /nfs/dbraw/zinc/54/59/80/500545980.db2.gz GKAQUNCTOXHQJX-QFIPXVFZSA-N 2 1 359.558 3.256 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000420982037 500547845 /nfs/dbraw/zinc/54/78/45/500547845.db2.gz OIBCEJOKELKPQB-UHFFFAOYSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764052 500622185 /nfs/dbraw/zinc/62/21/85/500622185.db2.gz DWVFYQSSTDUKQV-RYUDHWBXSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764052 500622189 /nfs/dbraw/zinc/62/21/89/500622189.db2.gz DWVFYQSSTDUKQV-RYUDHWBXSA-N 2 1 350.260 3.273 20 0 FGADMP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000433128009 500631618 /nfs/dbraw/zinc/63/16/18/500631618.db2.gz VHRXVPSOXIFYIA-KRWDZBQOSA-N 2 1 371.447 3.017 20 0 FGADMP COc1ccc2oc([C@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)c(C)c2c1 ZINC000442879522 500638621 /nfs/dbraw/zinc/63/86/21/500638621.db2.gz WNLFBWLHUIHDTJ-INIZCTEOSA-N 2 1 359.514 3.426 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1F ZINC000442877611 500638956 /nfs/dbraw/zinc/63/89/56/500638956.db2.gz RHEPIPURXYMDFP-CYBMUJFWSA-N 2 1 372.326 3.265 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442917965 500646358 /nfs/dbraw/zinc/64/63/58/500646358.db2.gz BSHBMVGMSFYQPU-KRWDZBQOSA-N 2 1 355.482 3.230 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OCc1cccnc1 ZINC000442932602 500648727 /nfs/dbraw/zinc/64/87/27/500648727.db2.gz YDKCWMMLUGDZPX-QGZVFWFLSA-N 2 1 355.482 3.230 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443057760 500670206 /nfs/dbraw/zinc/67/02/06/500670206.db2.gz LDENMZYTPDFOAW-UTKZUKDTSA-N 2 1 371.550 3.405 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Br)c1OC ZINC000443060195 500671369 /nfs/dbraw/zinc/67/13/69/500671369.db2.gz OMNZZOSOXHBZTC-GFCCVEGCSA-N 2 1 357.292 3.027 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C1 ZINC000443064327 500672635 /nfs/dbraw/zinc/67/26/35/500672635.db2.gz XYQZSCPJSURHPE-GFCCVEGCSA-N 2 1 354.376 3.316 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000443296607 500705781 /nfs/dbraw/zinc/70/57/81/500705781.db2.gz PKLURDRXNMFCJV-QZNHQXDQSA-N 2 1 369.553 3.089 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000443296607 500705782 /nfs/dbraw/zinc/70/57/82/500705782.db2.gz PKLURDRXNMFCJV-QZNHQXDQSA-N 2 1 369.553 3.089 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000443296607 500705783 /nfs/dbraw/zinc/70/57/83/500705783.db2.gz PKLURDRXNMFCJV-QZNHQXDQSA-N 2 1 369.553 3.089 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615083 500746037 /nfs/dbraw/zinc/74/60/37/500746037.db2.gz HZJRPSZVZMPZAA-IAGOWNOFSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615083 500746040 /nfs/dbraw/zinc/74/60/40/500746040.db2.gz HZJRPSZVZMPZAA-IAGOWNOFSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615083 500746042 /nfs/dbraw/zinc/74/60/42/500746042.db2.gz HZJRPSZVZMPZAA-IAGOWNOFSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438319470 500768809 /nfs/dbraw/zinc/76/88/09/500768809.db2.gz HNSQHDZJCGTRAE-IBGZPJMESA-N 2 1 362.562 3.053 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC(C)(C)C1 ZINC000443991818 500788125 /nfs/dbraw/zinc/78/81/25/500788125.db2.gz VKZOXSRYKKNWGD-ROUUACIJSA-N 2 1 359.562 3.171 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000444263761 500826602 /nfs/dbraw/zinc/82/66/02/500826602.db2.gz FOCBAIJKIANHCT-OAQYLSRUSA-N 2 1 351.494 3.191 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)cc1)C1CC1 ZINC000434420831 500840561 /nfs/dbraw/zinc/84/05/61/500840561.db2.gz IILVFWAETOLVLQ-NRFANRHFSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1)C1CC1 ZINC000434420831 500840562 /nfs/dbraw/zinc/84/05/62/500840562.db2.gz IILVFWAETOLVLQ-NRFANRHFSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1)C1CC1 ZINC000434420831 500840563 /nfs/dbraw/zinc/84/05/63/500840563.db2.gz IILVFWAETOLVLQ-NRFANRHFSA-N 2 1 355.526 3.418 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445433 500844123 /nfs/dbraw/zinc/84/41/23/500844123.db2.gz OESCNDLBYMBEJB-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445433 500844125 /nfs/dbraw/zinc/84/41/25/500844125.db2.gz OESCNDLBYMBEJB-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445433 500844127 /nfs/dbraw/zinc/84/41/27/500844127.db2.gz OESCNDLBYMBEJB-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000434619888 500866903 /nfs/dbraw/zinc/86/69/03/500866903.db2.gz HFNZVJLUHXAEDE-OAQYLSRUSA-N 2 1 363.521 3.444 20 0 FGADMP COc1cccc2c(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cccc12 ZINC000449024248 500901296 /nfs/dbraw/zinc/90/12/96/500901296.db2.gz ZOWIRSRORQKCGG-HXUWFJFHSA-N 2 1 367.537 3.450 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc4ccoc43)CC2)CC1 ZINC000449022640 500901456 /nfs/dbraw/zinc/90/14/56/500901456.db2.gz KDNPINDXUXOSQG-UHFFFAOYSA-N 2 1 369.509 3.199 20 0 FGADMP CC(C)C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449058824 500913815 /nfs/dbraw/zinc/91/38/15/500913815.db2.gz MHFGMWSDTDRNMP-NZQKXSOJSA-N 2 1 373.585 3.028 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[nH]c1C ZINC000449071936 500917362 /nfs/dbraw/zinc/91/73/62/500917362.db2.gz IZYRBXMOGKWHCT-UHFFFAOYSA-N 2 1 369.509 3.297 20 0 FGADMP CNC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)c1 ZINC000449074715 500917668 /nfs/dbraw/zinc/91/76/68/500917668.db2.gz UUUACLBAZRRSQS-SFHVURJKSA-N 2 1 365.521 3.231 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000582439979 506224339 /nfs/dbraw/zinc/22/43/39/506224339.db2.gz YLYWZOZEFAJTAV-NQIIRXRSSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2ccncc2F)CC1 ZINC000449131548 500931904 /nfs/dbraw/zinc/93/19/04/500931904.db2.gz NOCAKMPHWHNFGY-HNNXBMFYSA-N 2 1 360.452 3.353 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449188973 500943761 /nfs/dbraw/zinc/94/37/61/500943761.db2.gz SWVSDTQRZYBNGD-UHFFFAOYSA-N 2 1 374.504 3.205 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000445131139 500947465 /nfs/dbraw/zinc/94/74/65/500947465.db2.gz FTSHLRDMURNMHO-UHFFFAOYSA-N 2 1 352.567 3.064 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@@H](O)C(F)(F)F ZINC000449204663 500947609 /nfs/dbraw/zinc/94/76/09/500947609.db2.gz JYQLMIZLDOLSAK-JCGIZDLHSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@H](CCN1CCN(C)CC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449247612 500956784 /nfs/dbraw/zinc/95/67/84/500956784.db2.gz GYCVDEPWNRHEPG-LJQANCHMSA-N 2 1 366.638 3.281 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)c2)cc1 ZINC000435370266 500961587 /nfs/dbraw/zinc/96/15/87/500961587.db2.gz IFMDPYOWOMVDJH-RDJZCZTQSA-N 2 1 353.466 3.117 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000435383537 500964410 /nfs/dbraw/zinc/96/44/10/500964410.db2.gz HUHBCFNVUIWRLQ-UHFFFAOYSA-N 2 1 354.285 3.006 20 0 FGADMP CC[N@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CCC[NH2+]CC1 ZINC000435388123 500965630 /nfs/dbraw/zinc/96/56/30/500965630.db2.gz CYGBIKHPOIINIU-AWEZNQCLSA-N 2 1 351.292 3.061 20 0 FGADMP CC[N@@H+](Cc1cnc2ccc(Br)cn12)[C@H]1CCC[NH2+]CC1 ZINC000435388123 500965636 /nfs/dbraw/zinc/96/56/36/500965636.db2.gz CYGBIKHPOIINIU-AWEZNQCLSA-N 2 1 351.292 3.061 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435387841 500966141 /nfs/dbraw/zinc/96/61/41/500966141.db2.gz CNFDXSDOUJXDOJ-KRWDZBQOSA-N 2 1 356.466 3.063 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435387841 500966142 /nfs/dbraw/zinc/96/61/42/500966142.db2.gz CNFDXSDOUJXDOJ-KRWDZBQOSA-N 2 1 356.466 3.063 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000449314498 500974180 /nfs/dbraw/zinc/97/41/80/500974180.db2.gz RDXIJUPENXMQRL-UTKZUKDTSA-N 2 1 352.526 3.483 20 0 FGADMP CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435619481 501003263 /nfs/dbraw/zinc/00/32/63/501003263.db2.gz UZCRYIPLCBFBGG-HNNXBMFYSA-N 2 1 372.340 3.116 20 0 FGADMP CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435619481 501003265 /nfs/dbraw/zinc/00/32/65/501003265.db2.gz UZCRYIPLCBFBGG-HNNXBMFYSA-N 2 1 372.340 3.116 20 0 FGADMP CC[C@@H](NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628658 501004536 /nfs/dbraw/zinc/00/45/36/501004536.db2.gz VOZFBAXPCFTJCI-ZWKOTPCHSA-N 2 1 351.922 3.371 20 0 FGADMP CC[C@@H](NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628658 501004539 /nfs/dbraw/zinc/00/45/39/501004539.db2.gz VOZFBAXPCFTJCI-ZWKOTPCHSA-N 2 1 351.922 3.371 20 0 FGADMP O=C(CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435686425 501012190 /nfs/dbraw/zinc/01/21/90/501012190.db2.gz UTZQTXITINMMCS-QGZVFWFLSA-N 2 1 370.522 3.116 20 0 FGADMP O=C(CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435686425 501012191 /nfs/dbraw/zinc/01/21/91/501012191.db2.gz UTZQTXITINMMCS-QGZVFWFLSA-N 2 1 370.522 3.116 20 0 FGADMP CN(c1ccccc1)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cn1 ZINC000435778076 501027425 /nfs/dbraw/zinc/02/74/25/501027425.db2.gz KYDISZRDUANNIG-OAQYLSRUSA-N 2 1 368.525 3.176 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@@H](C)C1 ZINC000449547588 501029591 /nfs/dbraw/zinc/02/95/91/501029591.db2.gz IXBKFLRCUNGAEW-QOKNQOGYSA-N 2 1 374.479 3.463 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449586668 501038715 /nfs/dbraw/zinc/03/87/15/501038715.db2.gz GMCKTACZPSGGKE-RJJVWVDVSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449586667 501038955 /nfs/dbraw/zinc/03/89/55/501038955.db2.gz GMCKTACZPSGGKE-LLMJNHHCSA-N 2 1 368.525 3.140 20 0 FGADMP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449593053 501040185 /nfs/dbraw/zinc/04/01/85/501040185.db2.gz ZHMXVQHBVHIRFN-UXHICEINSA-N 2 1 362.489 3.154 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253103 501109250 /nfs/dbraw/zinc/10/92/50/501109250.db2.gz XGMBUJAAFYNQDR-NJAFHUGGSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253103 501109251 /nfs/dbraw/zinc/10/92/51/501109251.db2.gz XGMBUJAAFYNQDR-NJAFHUGGSA-N 2 1 372.431 3.268 20 0 FGADMP C[N@@H+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@H]1CCCC[NH+]1C ZINC000441334509 501121908 /nfs/dbraw/zinc/12/19/08/501121908.db2.gz VZIKVLFJOACJNZ-HXUWFJFHSA-N 2 1 370.545 3.317 20 0 FGADMP C[NH+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@H]1CCCC[N@@H+]1C ZINC000441334509 501121912 /nfs/dbraw/zinc/12/19/12/501121912.db2.gz VZIKVLFJOACJNZ-HXUWFJFHSA-N 2 1 370.545 3.317 20 0 FGADMP C[NH+](CCCCCn1nnc(-c2ccccc2)n1)CC[C@H]1CCCC[N@H+]1C ZINC000441334509 501121917 /nfs/dbraw/zinc/12/19/17/501121917.db2.gz VZIKVLFJOACJNZ-HXUWFJFHSA-N 2 1 370.545 3.317 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC2=CCCCC2)CC1)Cc1ccccc1 ZINC000450467953 501128899 /nfs/dbraw/zinc/12/88/99/501128899.db2.gz KIRKQSCSAFITJT-UHFFFAOYSA-N 2 1 369.553 3.447 20 0 FGADMP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000446611705 501141748 /nfs/dbraw/zinc/14/17/48/501141748.db2.gz ACGGRCVUJVGGHA-QUCCMNQESA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640439 501173179 /nfs/dbraw/zinc/17/31/79/501173179.db2.gz MDPJSPKMELDCSK-PGRDOPGGSA-N 2 1 353.510 3.394 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000607722324 506239763 /nfs/dbraw/zinc/23/97/63/506239763.db2.gz YMGCJFKVGVDION-FXAWDEMLSA-N 2 1 358.530 3.319 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)c3ccccc3)C1)CCCC2 ZINC000450784738 501208025 /nfs/dbraw/zinc/20/80/25/501208025.db2.gz KPSLUZDXISANAX-NBCNXNJRSA-N 2 1 353.510 3.482 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)c3ccccc3)C1)CCCC2 ZINC000450784738 501208028 /nfs/dbraw/zinc/20/80/28/501208028.db2.gz KPSLUZDXISANAX-NBCNXNJRSA-N 2 1 353.510 3.482 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)nc1 ZINC000450785550 501209120 /nfs/dbraw/zinc/20/91/20/501209120.db2.gz OBDOQOGSSHGHAM-SFHVURJKSA-N 2 1 368.481 3.089 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)nc1 ZINC000450785550 501209123 /nfs/dbraw/zinc/20/91/23/501209123.db2.gz OBDOQOGSSHGHAM-SFHVURJKSA-N 2 1 368.481 3.089 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000450807337 501211899 /nfs/dbraw/zinc/21/18/99/501211899.db2.gz GRNGJSLJHTVRPO-HOTGVXAUSA-N 2 1 364.896 3.426 20 0 FGADMP c1c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnn1CC1CC1 ZINC000451066736 501243117 /nfs/dbraw/zinc/24/31/17/501243117.db2.gz VCCCFSKRBUUCGI-UHFFFAOYSA-N 2 1 365.525 3.176 20 0 FGADMP c1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nnn1CC1CC1 ZINC000451066736 501243118 /nfs/dbraw/zinc/24/31/18/501243118.db2.gz VCCCFSKRBUUCGI-UHFFFAOYSA-N 2 1 365.525 3.176 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000611647564 506243310 /nfs/dbraw/zinc/24/33/10/506243310.db2.gz VIIQHZMTLJLTEX-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106646 501270646 /nfs/dbraw/zinc/27/06/46/501270646.db2.gz ZAQXGFCXXYBKMB-HKUYNNGSSA-N 2 1 363.933 3.358 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457653755 501278681 /nfs/dbraw/zinc/27/86/81/501278681.db2.gz ONTKPNKRFKUSNX-KRWDZBQOSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000457670770 501283690 /nfs/dbraw/zinc/28/36/90/501283690.db2.gz OFUSLOAFCJXZGI-HXUWFJFHSA-N 2 1 360.546 3.153 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530046 501314083 /nfs/dbraw/zinc/31/40/83/501314083.db2.gz OMAMRFVZZQRABA-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530046 501314087 /nfs/dbraw/zinc/31/40/87/501314087.db2.gz OMAMRFVZZQRABA-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530046 501314090 /nfs/dbraw/zinc/31/40/90/501314090.db2.gz OMAMRFVZZQRABA-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530046 501314094 /nfs/dbraw/zinc/31/40/94/501314094.db2.gz OMAMRFVZZQRABA-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC[C@@H]1CN(C(=O)N[C@H](C)c2nccn2CC)CCN1Cc1ccccc1 ZINC000455479871 501314241 /nfs/dbraw/zinc/31/42/41/501314241.db2.gz VQDUNTJQEAENKA-IEBWSBKVSA-N 2 1 369.513 3.270 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453399820 501325145 /nfs/dbraw/zinc/32/51/45/501325145.db2.gz LQHFVRXPOBXJMW-YPAWHYETSA-N 2 1 350.510 3.360 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933689 501337947 /nfs/dbraw/zinc/33/79/47/501337947.db2.gz QLRNTULQIKSEMQ-IEBWSBKVSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455626466 501350549 /nfs/dbraw/zinc/35/05/49/501350549.db2.gz YKNDBIFRXBMCGA-OALUTQOASA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455626466 501350552 /nfs/dbraw/zinc/35/05/52/501350552.db2.gz YKNDBIFRXBMCGA-OALUTQOASA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455626466 501350555 /nfs/dbraw/zinc/35/05/55/501350555.db2.gz YKNDBIFRXBMCGA-OALUTQOASA-N 2 1 372.557 3.165 20 0 FGADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C1CCN(CCC(F)(F)F)CC1 ZINC000452118531 501438975 /nfs/dbraw/zinc/43/89/75/501438975.db2.gz PGLSWSZTGPKEAK-GOSISDBHSA-N 2 1 358.448 3.329 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000588271169 506256183 /nfs/dbraw/zinc/25/61/83/506256183.db2.gz YNLCKUJNMKAWCF-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000458677760 501505786 /nfs/dbraw/zinc/50/57/86/501505786.db2.gz VZNURQACKAJGOM-QFIPXVFZSA-N 2 1 374.573 3.461 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@H]1C ZINC000458933510 501561866 /nfs/dbraw/zinc/56/18/66/501561866.db2.gz IRAAEPDNRJEFHQ-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@H](C(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000457094075 501649536 /nfs/dbraw/zinc/64/95/36/501649536.db2.gz ZFAHSBKCTGJVPJ-QLFBSQMISA-N 2 1 363.468 3.123 20 0 FGADMP CCN1CC[C@H]([NH2+]CCc2c[nH+]cn2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459428034 501651797 /nfs/dbraw/zinc/65/17/97/501651797.db2.gz AXWCHQCFDNKOIP-ROUUACIJSA-N 2 1 350.869 3.180 20 0 FGADMP O[C@@H](C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000459459556 501657368 /nfs/dbraw/zinc/65/73/68/501657368.db2.gz DTPGGKMGQMDVNE-AZYNXAEESA-N 2 1 366.505 3.325 20 0 FGADMP O[C@H](C[NH2+]C/C=C/c1ccc(OCc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000459459557 501657644 /nfs/dbraw/zinc/65/76/44/501657644.db2.gz DTPGGKMGQMDVNE-MECCDNJOSA-N 2 1 366.505 3.325 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3CCC(F)(F)CC3)CC2)C[C@H](C)O1 ZINC000459473923 501659964 /nfs/dbraw/zinc/65/99/64/501659964.db2.gz PKHRPBJHAXMKSY-IRXDYDNUSA-N 2 1 374.516 3.402 20 0 FGADMP C[N@H+](CCCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206492 501665175 /nfs/dbraw/zinc/66/51/75/501665175.db2.gz SFNWIXSWRFOKAL-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206492 501665178 /nfs/dbraw/zinc/66/51/78/501665178.db2.gz SFNWIXSWRFOKAL-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206492 501665182 /nfs/dbraw/zinc/66/51/82/501665182.db2.gz SFNWIXSWRFOKAL-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP C[NH+](CCCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C1CC1 ZINC000457206492 501665185 /nfs/dbraw/zinc/66/51/85/501665185.db2.gz SFNWIXSWRFOKAL-FQEVSTJZSA-N 2 1 361.505 3.171 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459678639 501697971 /nfs/dbraw/zinc/69/79/71/501697971.db2.gz RWQOOYXNWMQSDB-NHCUHLMSSA-N 2 1 357.542 3.244 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21)C1CC[NH+](C)CC1 ZINC000459693714 501699945 /nfs/dbraw/zinc/69/99/45/501699945.db2.gz ZUHNKSJIECJOFB-RBBKRZOGSA-N 2 1 369.553 3.218 20 0 FGADMP CN(c1ccccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000459745856 501708073 /nfs/dbraw/zinc/70/80/73/501708073.db2.gz YOEKTFJGKCQHJX-IBGZPJMESA-N 3 1 358.574 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500245 501711807 /nfs/dbraw/zinc/71/18/07/501711807.db2.gz XHJXBWHNIDUNOL-SJORKVTESA-N 2 1 364.559 3.009 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)C2 ZINC000474288182 501776473 /nfs/dbraw/zinc/77/64/73/501776473.db2.gz AQBSLLVXPOAGBK-KRWDZBQOSA-N 2 1 354.498 3.016 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470742179 501788609 /nfs/dbraw/zinc/78/86/09/501788609.db2.gz GSAPRTCTCGVCOE-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470742532 501789994 /nfs/dbraw/zinc/78/99/94/501789994.db2.gz CRTHWZCCRMFTNB-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000477894123 501822833 /nfs/dbraw/zinc/82/28/33/501822833.db2.gz XOYMATXBJXNSAA-UHFFFAOYSA-N 2 1 355.526 3.418 20 0 FGADMP C[C@H]1[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458776454 501870114 /nfs/dbraw/zinc/87/01/14/501870114.db2.gz NLTSJHTXULOFDN-PKOBYXMFSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942240 501924237 /nfs/dbraw/zinc/92/42/37/501924237.db2.gz BZTPHCUMXJNNKE-HOTGVXAUSA-N 2 1 352.544 3.394 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000468018779 501931515 /nfs/dbraw/zinc/93/15/15/501931515.db2.gz BKFFWCVILANQLB-AHRSYUTCSA-N 2 1 362.514 3.245 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000468018779 501931521 /nfs/dbraw/zinc/93/15/21/501931521.db2.gz BKFFWCVILANQLB-AHRSYUTCSA-N 2 1 362.514 3.245 20 0 FGADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@H](C)c1ccccc1 ZINC000468021596 501932644 /nfs/dbraw/zinc/93/26/44/501932644.db2.gz KHKSAFBAEVWUFS-MISYRCLQSA-N 2 1 372.557 3.288 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(C)(C(=O)OCC)CC2)[C@H](C)C1 ZINC000474722262 501932655 /nfs/dbraw/zinc/93/26/55/501932655.db2.gz ZFQXVKQPBYIKRV-HOIRFXKYSA-N 2 1 368.562 3.225 20 0 FGADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000599027732 506284685 /nfs/dbraw/zinc/28/46/85/506284685.db2.gz QPMCVAFNJACUBK-KBWCOIMZSA-N 2 1 358.526 3.263 20 0 FGADMP CC[C@]1(C)CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000468113668 501961356 /nfs/dbraw/zinc/96/13/56/501961356.db2.gz QBPRBKDWTZPADC-XMSQKQJNSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460949003 501967476 /nfs/dbraw/zinc/96/74/76/501967476.db2.gz KQVGQHHKEQCZCO-XEVCZEQESA-N 2 1 366.594 3.449 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478416636 501975112 /nfs/dbraw/zinc/97/51/12/501975112.db2.gz OZNSOUOZSBZRJG-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478416636 501975114 /nfs/dbraw/zinc/97/51/14/501975114.db2.gz OZNSOUOZSBZRJG-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474995605 502015713 /nfs/dbraw/zinc/01/57/13/502015713.db2.gz ZQVHHOALRSWELN-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474995605 502015719 /nfs/dbraw/zinc/01/57/19/502015719.db2.gz ZQVHHOALRSWELN-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP C[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000482254556 502020945 /nfs/dbraw/zinc/02/09/45/502020945.db2.gz UEARHIOEIVFANZ-AWEZNQCLSA-N 2 1 370.419 3.237 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000475021490 502024093 /nfs/dbraw/zinc/02/40/93/502024093.db2.gz DBICNZDEUCNKTM-RTBURBONSA-N 2 1 357.523 3.304 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000475021490 502024099 /nfs/dbraw/zinc/02/40/99/502024099.db2.gz DBICNZDEUCNKTM-RTBURBONSA-N 2 1 357.523 3.304 20 0 FGADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475037620 502030697 /nfs/dbraw/zinc/03/06/97/502030697.db2.gz FSROFTIZVCCJCZ-COPCDDAFSA-N 2 1 365.521 3.284 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000475112913 502064170 /nfs/dbraw/zinc/06/41/70/502064170.db2.gz UMSUEHHVDHZTML-ZWKOTPCHSA-N 2 1 364.578 3.346 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128160 502069208 /nfs/dbraw/zinc/06/92/08/502069208.db2.gz FWYCIUULSUMLGB-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000478746935 502074498 /nfs/dbraw/zinc/07/44/98/502074498.db2.gz NBIKFUDFUGVAIW-KRWDZBQOSA-N 2 1 370.900 3.359 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000468492056 502079643 /nfs/dbraw/zinc/07/96/43/502079643.db2.gz LZCANPNMCQANLI-HXUWFJFHSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000468525294 502091919 /nfs/dbraw/zinc/09/19/19/502091919.db2.gz VDBDZNWYGAEITN-UEXGIBASSA-N 2 1 357.542 3.058 20 0 FGADMP CC(C)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000468525294 502091923 /nfs/dbraw/zinc/09/19/23/502091923.db2.gz VDBDZNWYGAEITN-UEXGIBASSA-N 2 1 357.542 3.058 20 0 FGADMP CC(C)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525294 502091928 /nfs/dbraw/zinc/09/19/28/502091928.db2.gz VDBDZNWYGAEITN-UEXGIBASSA-N 2 1 357.542 3.058 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830464 502110770 /nfs/dbraw/zinc/11/07/70/502110770.db2.gz OIMWJTIUQKAZHJ-WOJBJXKFSA-N 2 1 366.594 3.020 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461429397 502110959 /nfs/dbraw/zinc/11/09/59/502110959.db2.gz NZLGCKGVPVEAOI-YZGWKJHDSA-N 2 1 357.542 3.134 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461438096 502114393 /nfs/dbraw/zinc/11/43/93/502114393.db2.gz KFSSSFUSZNIZGQ-YADHBBJMSA-N 2 1 369.553 3.233 20 0 FGADMP COc1cc2c(cc1CNC[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000475285084 502118468 /nfs/dbraw/zinc/11/84/68/502118468.db2.gz ZVKVOXMLFQOLEP-QGZVFWFLSA-N 2 1 354.450 3.036 20 0 FGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000475285084 502118471 /nfs/dbraw/zinc/11/84/71/502118471.db2.gz ZVKVOXMLFQOLEP-QGZVFWFLSA-N 2 1 354.450 3.036 20 0 FGADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000475285084 502118473 /nfs/dbraw/zinc/11/84/73/502118473.db2.gz ZVKVOXMLFQOLEP-QGZVFWFLSA-N 2 1 354.450 3.036 20 0 FGADMP C[C@@H](CC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)OCc1ccccc1 ZINC000475320519 502133439 /nfs/dbraw/zinc/13/34/39/502133439.db2.gz JXNFNIGSGXINBK-UXHICEINSA-N 2 1 359.558 3.082 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000475323372 502134920 /nfs/dbraw/zinc/13/49/20/502134920.db2.gz XWNBNIITWAEEKD-OALUTQOASA-N 2 1 370.578 3.172 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000464892923 502138826 /nfs/dbraw/zinc/13/88/26/502138826.db2.gz YQIZWWDXDYRJKO-WOJBJXKFSA-N 2 1 363.590 3.469 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000468664661 502140579 /nfs/dbraw/zinc/14/05/79/502140579.db2.gz BQKPIRQMVMDBJX-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831105 502148106 /nfs/dbraw/zinc/14/81/06/502148106.db2.gz KBOJVDKTBJKBKT-FCHUYYIVSA-N 2 1 365.521 3.218 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000479063802 502151955 /nfs/dbraw/zinc/15/19/55/502151955.db2.gz PPFYSZYATYRZGD-QZTJIDSGSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000479074076 502155202 /nfs/dbraw/zinc/15/52/02/502155202.db2.gz GDORFXACZGJDIH-QGZVFWFLSA-N 2 1 369.575 3.110 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000482867478 502202509 /nfs/dbraw/zinc/20/25/09/502202509.db2.gz OHNZDZVRWAZXFG-CYBMUJFWSA-N 2 1 355.885 3.072 20 0 FGADMP CC(C)C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccs1 ZINC000482873909 502204065 /nfs/dbraw/zinc/20/40/65/502204065.db2.gz XOEAZHZHWQMNCS-KRWDZBQOSA-N 2 1 351.560 3.368 20 0 FGADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C(C)C)cc1 ZINC000482885998 502207934 /nfs/dbraw/zinc/20/79/34/502207934.db2.gz HUIANEVRMFNSKR-NRFANRHFSA-N 2 1 359.558 3.094 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000472051714 502212201 /nfs/dbraw/zinc/21/22/01/502212201.db2.gz IJKSCEKNBNLTMR-WOJBJXKFSA-N 2 1 360.546 3.195 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000486704441 502237384 /nfs/dbraw/zinc/23/73/84/502237384.db2.gz BRVRKWZWLHMTEI-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000461936880 502244409 /nfs/dbraw/zinc/24/44/09/502244409.db2.gz ONFLWYKSLUVRIX-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000472157701 502251263 /nfs/dbraw/zinc/25/12/63/502251263.db2.gz LZWSMPOMLZATSK-QGZVFWFLSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000472157701 502251265 /nfs/dbraw/zinc/25/12/65/502251265.db2.gz LZWSMPOMLZATSK-QGZVFWFLSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443794 502262543 /nfs/dbraw/zinc/26/25/43/502262543.db2.gz ZVEZNFBWVYAENO-WIYYLYMNSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443794 502262547 /nfs/dbraw/zinc/26/25/47/502262547.db2.gz ZVEZNFBWVYAENO-WIYYLYMNSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443787 502262665 /nfs/dbraw/zinc/26/26/65/502262665.db2.gz ZVEZNFBWVYAENO-NQIIRXRSSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443787 502262668 /nfs/dbraw/zinc/26/26/68/502262668.db2.gz ZVEZNFBWVYAENO-NQIIRXRSSA-N 2 1 368.525 3.340 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000462004484 502271106 /nfs/dbraw/zinc/27/11/06/502271106.db2.gz ADWDSVFBLNHGRT-OALUTQOASA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000462004484 502271108 /nfs/dbraw/zinc/27/11/08/502271108.db2.gz ADWDSVFBLNHGRT-OALUTQOASA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462004484 502271112 /nfs/dbraw/zinc/27/11/12/502271112.db2.gz ADWDSVFBLNHGRT-OALUTQOASA-N 2 1 366.594 3.401 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122027 502280430 /nfs/dbraw/zinc/28/04/30/502280430.db2.gz PMBALMHEQLTIBO-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122027 502280434 /nfs/dbraw/zinc/28/04/34/502280434.db2.gz PMBALMHEQLTIBO-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122027 502280439 /nfs/dbraw/zinc/28/04/39/502280439.db2.gz PMBALMHEQLTIBO-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)CC2(C)C)CC1 ZINC000472279924 502296778 /nfs/dbraw/zinc/29/67/78/502296778.db2.gz QUJHIUNGTSCYOX-KRWDZBQOSA-N 2 1 357.542 3.196 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196446 502310915 /nfs/dbraw/zinc/31/09/15/502310915.db2.gz JMMPJOUBKPITDP-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000483196446 502310921 /nfs/dbraw/zinc/31/09/21/502310921.db2.gz JMMPJOUBKPITDP-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000483196446 502310927 /nfs/dbraw/zinc/31/09/27/502310927.db2.gz JMMPJOUBKPITDP-UYAOXDASSA-N 2 1 357.542 3.278 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000465575863 502313156 /nfs/dbraw/zinc/31/31/56/502313156.db2.gz QXRRYPNKXUZCFB-NQIIRXRSSA-N 2 1 372.557 3.200 20 0 FGADMP CN(C)c1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000472351541 502326677 /nfs/dbraw/zinc/32/66/77/502326677.db2.gz SWRCIVZITVWYOX-MJGOQNOKSA-N 2 1 358.555 3.381 20 0 FGADMP COC1(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCCC1 ZINC000483271089 502334936 /nfs/dbraw/zinc/33/49/36/502334936.db2.gz WVZUHNSYQOCIFX-UHFFFAOYSA-N 2 1 365.606 3.464 20 0 FGADMP COC1(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000483271089 502334942 /nfs/dbraw/zinc/33/49/42/502334942.db2.gz WVZUHNSYQOCIFX-UHFFFAOYSA-N 3 1 365.606 3.464 20 0 FGADMP COC1(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCCC1 ZINC000483271089 502334946 /nfs/dbraw/zinc/33/49/46/502334946.db2.gz WVZUHNSYQOCIFX-UHFFFAOYSA-N 3 1 365.606 3.464 20 0 FGADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690396 502345284 /nfs/dbraw/zinc/34/52/84/502345284.db2.gz NURPSWORCOPWDK-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1c2ccccc2sc1C(=O)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000479698319 502348816 /nfs/dbraw/zinc/34/88/16/502348816.db2.gz CPYNNRZQTCVGTN-UHFFFAOYSA-N 2 1 371.550 3.357 20 0 FGADMP Cc1ccc(CN(C(=O)CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)C2CC2)cc1 ZINC000472477343 502363652 /nfs/dbraw/zinc/36/36/52/502363652.db2.gz LDRKDFLDZJTRPM-OAQYLSRUSA-N 2 1 369.553 3.150 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743219 502366519 /nfs/dbraw/zinc/36/65/19/502366519.db2.gz PMCYLVWTIVQEAW-YHDCXSKOSA-N 2 1 364.578 3.010 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743219 502366524 /nfs/dbraw/zinc/36/65/24/502366524.db2.gz PMCYLVWTIVQEAW-YHDCXSKOSA-N 2 1 364.578 3.010 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000465743219 502366530 /nfs/dbraw/zinc/36/65/30/502366530.db2.gz PMCYLVWTIVQEAW-YHDCXSKOSA-N 2 1 364.578 3.010 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cccc(F)c2o1 ZINC000607897670 506310537 /nfs/dbraw/zinc/31/05/37/506310537.db2.gz VQGHARLFNSMNGO-INIZCTEOSA-N 2 1 361.461 3.060 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483472909 502401874 /nfs/dbraw/zinc/40/18/74/502401874.db2.gz KNBJENFQWWZKGG-COPCDDAFSA-N 2 1 369.553 3.230 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000465878333 502412176 /nfs/dbraw/zinc/41/21/76/502412176.db2.gz SFGZNPMHBYGXHD-UXHICEINSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000469484440 502434747 /nfs/dbraw/zinc/43/47/47/502434747.db2.gz SZWYOWWURQKAPC-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600120 502440227 /nfs/dbraw/zinc/44/02/27/502440227.db2.gz RIGDXDCBYZXZKF-YADHBBJMSA-N 2 1 369.553 3.231 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000465988481 502446815 /nfs/dbraw/zinc/44/68/15/502446815.db2.gz WCJFTPBNNZXXRQ-ZWKOTPCHSA-N 2 1 354.583 3.259 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000466005249 502451855 /nfs/dbraw/zinc/45/18/55/502451855.db2.gz LGKFZYRXDXOFED-UHFFFAOYSA-N 2 1 363.550 3.125 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCCCn2cc[nH+]c2C)CC1 ZINC000466005249 502451857 /nfs/dbraw/zinc/45/18/57/502451857.db2.gz LGKFZYRXDXOFED-UHFFFAOYSA-N 2 1 363.550 3.125 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[N@H+]1C ZINC000487471851 502452467 /nfs/dbraw/zinc/45/24/67/502452467.db2.gz QGLAUWPIILCXLC-HKUYNNGSSA-N 2 1 360.546 3.097 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684105 502462946 /nfs/dbraw/zinc/46/29/46/502462946.db2.gz PISPWIOPWXSGPC-SESVDKBCSA-N 2 1 372.557 3.338 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1C ZINC000483684104 502463411 /nfs/dbraw/zinc/46/34/11/502463411.db2.gz PISPWIOPWXSGPC-JBACZVJFSA-N 2 1 372.557 3.338 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483684651 502463485 /nfs/dbraw/zinc/46/34/85/502463485.db2.gz NTPNPGLJYBWDCE-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483684651 502463491 /nfs/dbraw/zinc/46/34/91/502463491.db2.gz NTPNPGLJYBWDCE-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483684651 502463497 /nfs/dbraw/zinc/46/34/97/502463497.db2.gz NTPNPGLJYBWDCE-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000582595375 506316620 /nfs/dbraw/zinc/31/66/20/506316620.db2.gz ZTCPVUZUKPQNPJ-DBXWQHBBSA-N 2 1 372.557 3.187 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@H]1C ZINC000483806061 502497640 /nfs/dbraw/zinc/49/76/40/502497640.db2.gz JQMPGYTZSRTRLI-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462617574 502509515 /nfs/dbraw/zinc/50/95/15/502509515.db2.gz LHSKAEJWJPAAMV-HSALFYBXSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462617574 502509517 /nfs/dbraw/zinc/50/95/17/502509517.db2.gz LHSKAEJWJPAAMV-HSALFYBXSA-N 2 1 366.594 3.403 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462617574 502509520 /nfs/dbraw/zinc/50/95/20/502509520.db2.gz LHSKAEJWJPAAMV-HSALFYBXSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760759 502534447 /nfs/dbraw/zinc/53/44/47/502534447.db2.gz NAQNTBUIADBLOL-OEWRPIJISA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760759 502534454 /nfs/dbraw/zinc/53/44/54/502534454.db2.gz NAQNTBUIADBLOL-OEWRPIJISA-N 2 1 357.542 3.182 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000469763008 502536276 /nfs/dbraw/zinc/53/62/76/502536276.db2.gz FUPHNHLTRGZEOG-UGKGYDQZSA-N 2 1 370.541 3.158 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000469763008 502536281 /nfs/dbraw/zinc/53/62/81/502536281.db2.gz FUPHNHLTRGZEOG-UGKGYDQZSA-N 2 1 370.541 3.158 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822826 502540435 /nfs/dbraw/zinc/54/04/35/502540435.db2.gz QGQATSULXOCEFY-MUGJNUQGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822826 502540437 /nfs/dbraw/zinc/54/04/37/502540437.db2.gz QGQATSULXOCEFY-MUGJNUQGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@@H]1[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822826 502540443 /nfs/dbraw/zinc/54/04/43/502540443.db2.gz QGQATSULXOCEFY-MUGJNUQGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000487847250 502546068 /nfs/dbraw/zinc/54/60/68/502546068.db2.gz ZWSXSXCVOUFMAQ-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462750436 502557293 /nfs/dbraw/zinc/55/72/93/502557293.db2.gz OIOAYNMNNSVEPK-NRFANRHFSA-N 2 1 374.573 3.272 20 0 FGADMP C[C@H]1CCC[C@@](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019063 502602285 /nfs/dbraw/zinc/60/22/85/502602285.db2.gz WDKYZMQFZYPNIJ-BBTUJRGHSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000480604466 502617889 /nfs/dbraw/zinc/61/78/89/502617889.db2.gz BSUQVDLEZYOFQA-GOSISDBHSA-N 2 1 357.523 3.377 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000469994681 502622953 /nfs/dbraw/zinc/62/29/53/502622953.db2.gz ULKUVOHYUVATNT-SJCJKPOMSA-N 2 1 363.303 3.112 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000469994681 502622959 /nfs/dbraw/zinc/62/29/59/502622959.db2.gz ULKUVOHYUVATNT-SJCJKPOMSA-N 2 1 363.303 3.112 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098210 502626346 /nfs/dbraw/zinc/62/63/46/502626346.db2.gz BSVRCDTZUGYBCD-ONUIULTDSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CCC[N@H+](C[C@@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098210 502626353 /nfs/dbraw/zinc/62/63/53/502626353.db2.gz BSVRCDTZUGYBCD-ONUIULTDSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[NH+](C)[C@H]2CCC[N@@H+](C[C@@H]3CCO[C@H](C)C3)CC2)CCO1 ZINC000488098210 502626359 /nfs/dbraw/zinc/62/63/59/502626359.db2.gz BSVRCDTZUGYBCD-ONUIULTDSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632146 502628328 /nfs/dbraw/zinc/62/83/28/502628328.db2.gz RINGXAQFOCGTPC-SJORKVTESA-N 2 1 367.559 3.221 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632138 502628429 /nfs/dbraw/zinc/62/84/29/502628429.db2.gz RINGXAQFOCGTPC-DLBZAZTESA-N 2 1 367.559 3.221 20 0 FGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000473552934 502634335 /nfs/dbraw/zinc/63/43/35/502634335.db2.gz RMLKDHUTFXQBDR-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000473552934 502634337 /nfs/dbraw/zinc/63/43/37/502634337.db2.gz RMLKDHUTFXQBDR-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725584 502654123 /nfs/dbraw/zinc/65/41/23/502654123.db2.gz YPNZTPULAKUQPO-PZJWPPBQSA-N 2 1 357.542 3.369 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477034910 502655441 /nfs/dbraw/zinc/65/54/41/502655441.db2.gz PWMVCQYYOGXBRE-BGYRXZFFSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034910 502655447 /nfs/dbraw/zinc/65/54/47/502655447.db2.gz PWMVCQYYOGXBRE-BGYRXZFFSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034910 502655453 /nfs/dbraw/zinc/65/54/53/502655453.db2.gz PWMVCQYYOGXBRE-BGYRXZFFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000477094974 502675769 /nfs/dbraw/zinc/67/57/69/502675769.db2.gz FWOZVFVGKCVCDE-HXUWFJFHSA-N 2 1 357.542 3.087 20 0 FGADMP CC/C=C/CC[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000466802986 502686053 /nfs/dbraw/zinc/68/60/53/502686053.db2.gz RNPFQHFYWLKNMT-SNAWJCMRSA-N 2 1 357.542 3.303 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850942 502688905 /nfs/dbraw/zinc/68/89/05/502688905.db2.gz VXHLPNNXDIJYAL-WIYYLYMNSA-N 2 1 351.494 3.059 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850942 502688908 /nfs/dbraw/zinc/68/89/08/502688908.db2.gz VXHLPNNXDIJYAL-WIYYLYMNSA-N 2 1 351.494 3.059 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000484668297 502703102 /nfs/dbraw/zinc/70/31/02/502703102.db2.gz GHRADWNPXYQEDR-RXVVDRJESA-N 2 1 368.525 3.109 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000477266893 502724708 /nfs/dbraw/zinc/72/47/08/502724708.db2.gz PTNBYMUIJCBGQE-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179432 502774907 /nfs/dbraw/zinc/77/49/07/502774907.db2.gz USUFOKJAHPMEQW-PGRDOPGGSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179432 502774912 /nfs/dbraw/zinc/77/49/12/502774912.db2.gz USUFOKJAHPMEQW-PGRDOPGGSA-N 2 1 369.553 3.420 20 0 FGADMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)[NH+](CC)CC ZINC000484938898 502781766 /nfs/dbraw/zinc/78/17/66/502781766.db2.gz MIZGURGIWKVIAX-QHAWAJNXSA-N 2 1 357.542 3.087 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000470470672 502788098 /nfs/dbraw/zinc/78/80/98/502788098.db2.gz NWMUQHUTOQJTHX-IBGZPJMESA-N 2 1 374.573 3.241 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467133312 502798002 /nfs/dbraw/zinc/79/80/02/502798002.db2.gz HJQWYRZCKFNUJF-KRWDZBQOSA-N 2 1 354.498 3.415 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000470531405 502806329 /nfs/dbraw/zinc/80/63/29/502806329.db2.gz VBWYSJYRKHVMNF-IRFCIJBXSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000500684544 502839295 /nfs/dbraw/zinc/83/92/95/502839295.db2.gz IPMAIQBPMCMASU-RTBURBONSA-N 2 1 372.557 3.012 20 0 FGADMP C[N@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040870 502920150 /nfs/dbraw/zinc/92/01/50/502920150.db2.gz TTXPIXBIIWNHEW-UHFFFAOYSA-N 2 1 370.541 3.163 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330720 502933379 /nfs/dbraw/zinc/93/33/79/502933379.db2.gz CNJQCZDAUPJECD-GMAHTHKFSA-N 2 1 363.505 3.201 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4F)o3)C2)CC1 ZINC000513453853 502942936 /nfs/dbraw/zinc/94/29/36/502942936.db2.gz AZHDIGSQDTXXQA-QGZVFWFLSA-N 2 1 357.473 3.298 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cc(Br)cs2)CC1 ZINC000501133386 502945532 /nfs/dbraw/zinc/94/55/32/502945532.db2.gz UTCAPYVHWKOPCC-UHFFFAOYSA-N 2 1 374.392 3.359 20 0 FGADMP COCC[C@@H]1CCCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509623056 502951057 /nfs/dbraw/zinc/95/10/57/502951057.db2.gz PWMLAPBMBKHICL-NRFANRHFSA-N 2 1 359.558 3.337 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(C)cc1C ZINC000505760657 502980177 /nfs/dbraw/zinc/98/01/77/502980177.db2.gz VXDFNHGZYKEODT-NRFANRHFSA-N 2 1 359.558 3.111 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000509805162 502989307 /nfs/dbraw/zinc/98/93/07/502989307.db2.gz NISHQWZWEJNGEW-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000509805162 502989313 /nfs/dbraw/zinc/98/93/13/502989313.db2.gz NISHQWZWEJNGEW-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000509805162 502989318 /nfs/dbraw/zinc/98/93/18/502989318.db2.gz NISHQWZWEJNGEW-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000501532205 503030776 /nfs/dbraw/zinc/03/07/76/503030776.db2.gz NARIMQZTUNZJPA-ZWKOTPCHSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000501532205 503030780 /nfs/dbraw/zinc/03/07/80/503030780.db2.gz NARIMQZTUNZJPA-ZWKOTPCHSA-N 2 1 352.567 3.203 20 0 FGADMP CC[NH+](CC)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513936370 503051923 /nfs/dbraw/zinc/05/19/23/503051923.db2.gz SNWBYMPWOLXPEG-FCHUYYIVSA-N 2 1 365.521 3.113 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000501718877 503066480 /nfs/dbraw/zinc/06/64/80/503066480.db2.gz PMUABDHJYVLCGQ-BGYRXZFFSA-N 2 1 374.573 3.128 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000514008149 503067277 /nfs/dbraw/zinc/06/72/77/503067277.db2.gz BOLPGUMZUREBOL-NRFANRHFSA-N 2 1 357.542 3.375 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514094972 503086347 /nfs/dbraw/zinc/08/63/47/503086347.db2.gz PCFODLZTABFOAW-BBWFWOEESA-N 2 1 359.514 3.426 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[NH+]1CCCCC1 ZINC000501821473 503088036 /nfs/dbraw/zinc/08/80/36/503088036.db2.gz FRVIBQGVISHUNP-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514127774 503094172 /nfs/dbraw/zinc/09/41/72/503094172.db2.gz YYUMTGOLWPVVFH-PMACEKPBSA-N 2 1 374.573 3.176 20 0 FGADMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000490085707 503107172 /nfs/dbraw/zinc/10/71/72/503107172.db2.gz KGLQTBDXOYZFNW-UHFFFAOYSA-N 2 1 362.440 3.011 20 0 FGADMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000490085707 503107177 /nfs/dbraw/zinc/10/71/77/503107177.db2.gz KGLQTBDXOYZFNW-UHFFFAOYSA-N 2 1 362.440 3.011 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215016 503114764 /nfs/dbraw/zinc/11/47/64/503114764.db2.gz QIALOZVRUDWJCJ-SVFBPWRDSA-N 2 1 372.557 3.243 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000514229969 503119770 /nfs/dbraw/zinc/11/97/70/503119770.db2.gz VKIDVHYLXBTBRM-HBFSDRIKSA-N 2 1 360.546 3.017 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000506471626 503121412 /nfs/dbraw/zinc/12/14/12/503121412.db2.gz FABZXACUJVLNHC-MOPGFXCFSA-N 2 1 355.526 3.162 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506490898 503125700 /nfs/dbraw/zinc/12/57/00/503125700.db2.gz YNXQHRJRUCAXBS-RBUKOAKNSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000506490898 503125701 /nfs/dbraw/zinc/12/57/01/503125701.db2.gz YNXQHRJRUCAXBS-RBUKOAKNSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506490898 503125702 /nfs/dbraw/zinc/12/57/02/503125702.db2.gz YNXQHRJRUCAXBS-RBUKOAKNSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000506490898 503125703 /nfs/dbraw/zinc/12/57/03/503125703.db2.gz YNXQHRJRUCAXBS-RBUKOAKNSA-N 2 1 374.525 3.438 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000498249939 503142583 /nfs/dbraw/zinc/14/25/83/503142583.db2.gz GOPNMQMSSVYKQN-ROUUACIJSA-N 2 1 360.546 3.153 20 0 FGADMP CC1CC[NH+](CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000506929524 503196452 /nfs/dbraw/zinc/19/64/52/503196452.db2.gz GCZAMODEXHFBLJ-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506935939 503198040 /nfs/dbraw/zinc/19/80/40/503198040.db2.gz UQJDLIIMQYCNDH-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000510844126 503202954 /nfs/dbraw/zinc/20/29/54/503202954.db2.gz FZTPHGQNXCQZEX-XDJHFCHBSA-N 2 1 358.526 3.471 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2CCS(=O)(=O)CC2)CC1 ZINC000514992549 503243200 /nfs/dbraw/zinc/24/32/00/503243200.db2.gz NKZVPTRBNNQTTR-UHFFFAOYSA-N 2 1 358.592 3.080 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000498721337 503247839 /nfs/dbraw/zinc/24/78/39/503247839.db2.gz KPSHWBVAKLKRED-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000498721337 503247844 /nfs/dbraw/zinc/24/78/44/503247844.db2.gz KPSHWBVAKLKRED-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H]1CC[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000498721337 503247848 /nfs/dbraw/zinc/24/78/48/503247848.db2.gz KPSHWBVAKLKRED-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000502688361 503251478 /nfs/dbraw/zinc/25/14/78/503251478.db2.gz WCXMOHDHLPJGLV-BVSLBCMMSA-N 2 1 359.558 3.160 20 0 FGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000507462423 503302420 /nfs/dbraw/zinc/30/24/20/503302420.db2.gz OYJDEHWXBGCMGD-BZZMCLGOSA-N 2 1 356.432 3.454 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000515261771 503304372 /nfs/dbraw/zinc/30/43/72/503304372.db2.gz JNNQQGQPXQEPKZ-UYAOXDASSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@H]2C)cc1 ZINC000502912251 503306730 /nfs/dbraw/zinc/30/67/30/503306730.db2.gz LVGMTMMSRZXGAC-RTBURBONSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000502912251 503306732 /nfs/dbraw/zinc/30/67/32/503306732.db2.gz LVGMTMMSRZXGAC-RTBURBONSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000502912251 503306733 /nfs/dbraw/zinc/30/67/33/503306733.db2.gz LVGMTMMSRZXGAC-RTBURBONSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@H]1C ZINC000499028509 503317089 /nfs/dbraw/zinc/31/70/89/503317089.db2.gz OBLDBZCUKBYLAN-ZMTPEHOPSA-N 2 1 364.578 3.154 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000499052265 503321986 /nfs/dbraw/zinc/32/19/86/503321986.db2.gz ISBFDBNJJAQYCT-FQEVSTJZSA-N 2 1 367.493 3.495 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](O)COc1cccc2ccccc21)C(C)C ZINC000499052265 503321989 /nfs/dbraw/zinc/32/19/89/503321989.db2.gz ISBFDBNJJAQYCT-FQEVSTJZSA-N 2 1 367.493 3.495 20 0 FGADMP C[C@@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C[NH+](C)C ZINC000491597110 503323007 /nfs/dbraw/zinc/32/30/07/503323007.db2.gz RGLKLRPCVJNUPL-JTQLQIEISA-N 2 1 351.235 3.338 20 0 FGADMP O[C@@H](C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000511580193 503347589 /nfs/dbraw/zinc/34/75/89/503347589.db2.gz WPJZGKJAQNRVGB-RDJZCZTQSA-N 2 1 358.404 3.083 20 0 FGADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCc3c2c(F)ccc3F)c1 ZINC000507811752 503372115 /nfs/dbraw/zinc/37/21/15/503372115.db2.gz YCEOQANEBZPCEA-IBGZPJMESA-N 2 1 373.447 3.033 20 0 FGADMP COc1ccc(F)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000507833522 503376225 /nfs/dbraw/zinc/37/62/25/503376225.db2.gz MXFCKRMORANDCM-IYBDPMFKSA-N 2 1 350.478 3.156 20 0 FGADMP O=[S@@](CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373568 503396815 /nfs/dbraw/zinc/39/68/15/503396815.db2.gz ILHNYFSOPLDGKN-GKVSMKOHSA-N 2 1 357.523 3.207 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000511855840 503401210 /nfs/dbraw/zinc/40/12/10/503401210.db2.gz RCYNHHYOIGWRFM-BDTNDASRSA-N 2 1 369.553 3.244 20 0 FGADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000503485130 503418890 /nfs/dbraw/zinc/41/88/90/503418890.db2.gz GCMMYFFZEIIIKJ-WSTZPKSXSA-N 2 1 373.541 3.078 20 0 FGADMP CC[NH+]1CCC[C@@H]1CN(Cc1ccc(O)cc1)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000503485130 503418894 /nfs/dbraw/zinc/41/88/94/503418894.db2.gz GCMMYFFZEIIIKJ-WSTZPKSXSA-N 2 1 373.541 3.078 20 0 FGADMP C[C@@H](NCc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511990224 503430387 /nfs/dbraw/zinc/43/03/87/503430387.db2.gz OAKFWIBYMPEAMG-SJLPKXTDSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@@H](NCc1ncc(C[NH+](C)C)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511990224 503430389 /nfs/dbraw/zinc/43/03/89/503430389.db2.gz OAKFWIBYMPEAMG-SJLPKXTDSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000516048185 503437232 /nfs/dbraw/zinc/43/72/32/503437232.db2.gz FKRWVTCGNKCWFW-DLBZAZTESA-N 2 1 354.922 3.324 20 0 FGADMP CCC(CC)(CNC(=O)N1CC[NH+](C2CC2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000503707727 503463738 /nfs/dbraw/zinc/46/37/38/503463738.db2.gz KHIQWXHQHZNXOB-SFHVURJKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181242 503464085 /nfs/dbraw/zinc/46/40/85/503464085.db2.gz AVKCBLNCEUOHLO-MJGOQNOKSA-N 2 1 360.546 3.099 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181243 503464347 /nfs/dbraw/zinc/46/43/47/503464347.db2.gz AVKCBLNCEUOHLO-PKOBYXMFSA-N 2 1 360.546 3.099 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC(F)F)c(F)c1 ZINC000516215044 503472077 /nfs/dbraw/zinc/47/20/77/503472077.db2.gz CNAKDDIDJWPGRI-INIZCTEOSA-N 2 1 373.463 3.275 20 0 FGADMP Cn1ccnc1C[N@@H+](CCCc1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000503917788 503489148 /nfs/dbraw/zinc/48/91/48/503489148.db2.gz KLVHFJBOIGYEKZ-LJQANCHMSA-N 2 1 356.489 3.136 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccccc21 ZINC000508454026 503497153 /nfs/dbraw/zinc/49/71/53/503497153.db2.gz HIIBFSKABODIOX-IBGZPJMESA-N 2 1 353.510 3.328 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C(C)C ZINC000503981321 503503973 /nfs/dbraw/zinc/50/39/73/503503973.db2.gz IMXMHOKIDLLYKL-IBGZPJMESA-N 2 1 354.583 3.401 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000508581145 503523724 /nfs/dbraw/zinc/52/37/24/503523724.db2.gz UQORBEKPXRDACW-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000508581145 503523728 /nfs/dbraw/zinc/52/37/28/503523728.db2.gz UQORBEKPXRDACW-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000508581145 503523732 /nfs/dbraw/zinc/52/37/32/503523732.db2.gz UQORBEKPXRDACW-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000516560946 503536995 /nfs/dbraw/zinc/53/69/95/503536995.db2.gz XDAAPYOWTUDXJM-HBFSDRIKSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430985 503548943 /nfs/dbraw/zinc/54/89/43/503548943.db2.gz WIJKFYZVFNEYTI-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1cccc(Cl)c1 ZINC000516645597 503559204 /nfs/dbraw/zinc/55/92/04/503559204.db2.gz IIVMHFFSKRQYAM-TZIWHRDSSA-N 2 1 358.913 3.355 20 0 FGADMP COc1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512485146 503567819 /nfs/dbraw/zinc/56/78/19/503567819.db2.gz GESAWBOLRLLBAL-QFIPXVFZSA-N 2 1 365.521 3.087 20 0 FGADMP COc1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512485146 503567822 /nfs/dbraw/zinc/56/78/22/503567822.db2.gz GESAWBOLRLLBAL-QFIPXVFZSA-N 2 1 365.521 3.087 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494580168 503568328 /nfs/dbraw/zinc/56/83/28/503568328.db2.gz RUUFJJSPNWTHQI-MRXNPFEDSA-N 2 1 366.431 3.382 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000494580168 503568330 /nfs/dbraw/zinc/56/83/30/503568330.db2.gz RUUFJJSPNWTHQI-MRXNPFEDSA-N 2 1 366.431 3.382 20 0 FGADMP C[NH2+]CC1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000516768536 503582969 /nfs/dbraw/zinc/58/29/69/503582969.db2.gz XNFXNCNBVIQUKC-UHFFFAOYSA-N 2 1 365.521 3.390 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880865 503587238 /nfs/dbraw/zinc/58/72/38/503587238.db2.gz XGCKPQWKWSELBB-UNMCSNQZSA-N 2 1 358.526 3.408 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880865 503587241 /nfs/dbraw/zinc/58/72/41/503587241.db2.gz XGCKPQWKWSELBB-UNMCSNQZSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880865 503587244 /nfs/dbraw/zinc/58/72/44/503587244.db2.gz XGCKPQWKWSELBB-UNMCSNQZSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880865 503587246 /nfs/dbraw/zinc/58/72/46/503587246.db2.gz XGCKPQWKWSELBB-UNMCSNQZSA-N 2 1 358.526 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000494683442 503591230 /nfs/dbraw/zinc/59/12/30/503591230.db2.gz AIBOSXVFQKNNGG-UEXGIBASSA-N 2 1 357.542 3.313 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000508903131 503595355 /nfs/dbraw/zinc/59/53/55/503595355.db2.gz FHMKEGSXVSPATK-YSIASYRMSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000516877982 503607106 /nfs/dbraw/zinc/60/71/06/503607106.db2.gz SUDXIMDQIAARTE-TUAOUCFPSA-N 2 1 355.276 3.141 20 0 FGADMP CC[N@H+](CCC1CC[NH+](Cc2oncc2C(=O)OC)CC1)CC(C)C ZINC000509026766 503623830 /nfs/dbraw/zinc/62/38/30/503623830.db2.gz ADUBTJGVTMSEEL-UHFFFAOYSA-N 2 1 351.491 3.041 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2oncc2C(=O)OC)CC1)CC(C)C ZINC000509026766 503623835 /nfs/dbraw/zinc/62/38/35/503623835.db2.gz ADUBTJGVTMSEEL-UHFFFAOYSA-N 2 1 351.491 3.041 20 0 FGADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000516993626 503639856 /nfs/dbraw/zinc/63/98/56/503639856.db2.gz ZOHYMOAATQXMCK-CYBMUJFWSA-N 2 1 373.310 3.220 20 0 FGADMP C[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000517024702 503646719 /nfs/dbraw/zinc/64/67/19/503646719.db2.gz DDJNKVHRFSOIBM-UHFFFAOYSA-N 2 1 353.466 3.491 20 0 FGADMP CN1CC[C@H]2CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)[C@H]2C1 ZINC000495105663 503669066 /nfs/dbraw/zinc/66/90/66/503669066.db2.gz BWYRLCAGRHVATK-AVRDEDQJSA-N 2 1 373.504 3.460 20 0 FGADMP CN1CC[C@H]2CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)[C@H]2C1 ZINC000495105663 503669074 /nfs/dbraw/zinc/66/90/74/503669074.db2.gz BWYRLCAGRHVATK-AVRDEDQJSA-N 2 1 373.504 3.460 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000536676636 503675280 /nfs/dbraw/zinc/67/52/80/503675280.db2.gz KFXDRKFZGDGGIJ-FXAWDEMLSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@H+]1Cc1ccccc1 ZINC000536676636 503675283 /nfs/dbraw/zinc/67/52/83/503675283.db2.gz KFXDRKFZGDGGIJ-FXAWDEMLSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676636 503675287 /nfs/dbraw/zinc/67/52/87/503675287.db2.gz KFXDRKFZGDGGIJ-FXAWDEMLSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676636 503675289 /nfs/dbraw/zinc/67/52/89/503675289.db2.gz KFXDRKFZGDGGIJ-FXAWDEMLSA-N 2 1 363.509 3.453 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731996 503701314 /nfs/dbraw/zinc/70/13/14/503701314.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731996 503701319 /nfs/dbraw/zinc/70/13/19/503701319.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731996 503701325 /nfs/dbraw/zinc/70/13/25/503701325.db2.gz WDTWFTBPGNNCNY-TZIWHRDSSA-N 2 1 358.526 3.408 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257774 503701790 /nfs/dbraw/zinc/70/17/90/503701790.db2.gz ZLRYQMBFRYERJN-MJGOQNOKSA-N 2 1 372.557 3.340 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543257774 503701797 /nfs/dbraw/zinc/70/17/97/503701797.db2.gz ZLRYQMBFRYERJN-MJGOQNOKSA-N 2 1 372.557 3.340 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731995 503701710 /nfs/dbraw/zinc/70/17/10/503701710.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731995 503701715 /nfs/dbraw/zinc/70/17/15/503701715.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731995 503701721 /nfs/dbraw/zinc/70/17/21/503701721.db2.gz WDTWFTBPGNNCNY-PZJWPPBQSA-N 2 1 358.526 3.408 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000533104249 503732198 /nfs/dbraw/zinc/73/21/98/503732198.db2.gz GCUKJICGYDMCFJ-FQEVSTJZSA-N 2 1 364.578 3.014 20 0 FGADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000517387784 503732182 /nfs/dbraw/zinc/73/21/82/503732182.db2.gz OGTNBXUMLNSNOK-FOIQADDNSA-N 2 1 373.472 3.041 20 0 FGADMP C[C@H](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000543382286 503746147 /nfs/dbraw/zinc/74/61/47/503746147.db2.gz ZLPBCKNKJRHDDI-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000517576320 503775780 /nfs/dbraw/zinc/77/57/80/503775780.db2.gz KEMUOGYGVJGOGV-MJGOQNOKSA-N 2 1 352.567 3.061 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014040 503777451 /nfs/dbraw/zinc/77/74/51/503777451.db2.gz ZDANYKRYGSBGEV-XZOQPEGZSA-N 2 1 366.505 3.373 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014040 503777456 /nfs/dbraw/zinc/77/74/56/503777456.db2.gz ZDANYKRYGSBGEV-XZOQPEGZSA-N 2 1 366.505 3.373 20 0 FGADMP C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458987 503780506 /nfs/dbraw/zinc/78/05/06/503780506.db2.gz MOXOAXSVILINGN-SJORKVTESA-N 2 1 356.514 3.375 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000517594859 503781634 /nfs/dbraw/zinc/78/16/34/503781634.db2.gz MVIZNZCJWDOHGA-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193311 503835886 /nfs/dbraw/zinc/83/58/86/503835886.db2.gz BAYHYPRXKDHPPA-UYAOXDASSA-N 2 1 357.542 3.439 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193311 503835892 /nfs/dbraw/zinc/83/58/92/503835892.db2.gz BAYHYPRXKDHPPA-UYAOXDASSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@@H](CCCc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000537196606 503836921 /nfs/dbraw/zinc/83/69/21/503836921.db2.gz AGHSJMBHXXNZAC-SFHVURJKSA-N 2 1 366.509 3.431 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)CC(C)C ZINC000517913529 503865588 /nfs/dbraw/zinc/86/55/88/503865588.db2.gz KMRUTNPTJUXPNP-RBUKOAKNSA-N 2 1 354.583 3.163 20 0 FGADMP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[C@@H](C)[C@@H]1OC ZINC000537294836 503871620 /nfs/dbraw/zinc/87/16/20/503871620.db2.gz GXTBCMNEMQKJEU-YSGRDPCXSA-N 2 1 360.546 3.492 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216898 503880364 /nfs/dbraw/zinc/88/03/64/503880364.db2.gz DGVGHUYETHSAGD-IUODEOHRSA-N 2 1 366.303 3.040 20 0 FGADMP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1F ZINC000530223189 503882628 /nfs/dbraw/zinc/88/26/28/503882628.db2.gz PLDLBWPUFRYTML-SJLPKXTDSA-N 2 1 365.880 3.048 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc2ccccc2o1 ZINC000537345383 503884350 /nfs/dbraw/zinc/88/43/50/503884350.db2.gz ZGOQDZUJNKUXDR-FXAWDEMLSA-N 2 1 357.498 3.307 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239274 503887654 /nfs/dbraw/zinc/88/76/54/503887654.db2.gz RBYUBBAIGXSMHS-IBGZPJMESA-N 2 1 373.541 3.147 20 0 FGADMP Fc1cc(Br)cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530241275 503889965 /nfs/dbraw/zinc/88/99/65/503889965.db2.gz PINMUDANFDVKLC-KRWDZBQOSA-N 2 1 371.294 3.179 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COCc2ccccc2Cl)C1 ZINC000518362220 503963305 /nfs/dbraw/zinc/96/33/05/503963305.db2.gz KNSHSRYKPAAMRW-PKOBYXMFSA-N 2 1 368.949 3.175 20 0 FGADMP COCC[C@@H](c1ccccc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000533832055 503964743 /nfs/dbraw/zinc/96/47/43/503964743.db2.gz QJWZJXLCYBIINX-VWPQPMDRSA-N 2 1 359.558 3.255 20 0 FGADMP C[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000518438960 503985349 /nfs/dbraw/zinc/98/53/49/503985349.db2.gz SCBXNVRNLBNFKU-GUDVDZBRSA-N 2 1 360.546 3.069 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000527915141 503997742 /nfs/dbraw/zinc/99/77/42/503997742.db2.gz MJXBAKZSOIULRT-SESVDKBCSA-N 2 1 353.514 3.078 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000527915141 503997747 /nfs/dbraw/zinc/99/77/47/503997747.db2.gz MJXBAKZSOIULRT-SESVDKBCSA-N 2 1 353.514 3.078 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000518669716 504039394 /nfs/dbraw/zinc/03/93/94/504039394.db2.gz KTSLNUNBUPBWIF-OAQYLSRUSA-N 2 1 372.557 3.204 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544230689 504053981 /nfs/dbraw/zinc/05/39/81/504053981.db2.gz QUIHBQABPNLFNW-SJLPKXTDSA-N 2 1 360.546 3.340 20 0 FGADMP C[C@H](CCNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000544289594 504075162 /nfs/dbraw/zinc/07/51/62/504075162.db2.gz SIUFGXAARWIIKF-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000544347010 504097683 /nfs/dbraw/zinc/09/76/83/504097683.db2.gz AUEJBBFBAKWTOL-QFIPXVFZSA-N 2 1 362.477 3.448 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000537971274 504099553 /nfs/dbraw/zinc/09/95/53/504099553.db2.gz GNZDJRUNOKZWHV-ZZLPTCMGSA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000537971274 504099558 /nfs/dbraw/zinc/09/95/58/504099558.db2.gz GNZDJRUNOKZWHV-ZZLPTCMGSA-N 3 1 373.585 3.376 20 0 FGADMP CCc1cnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000544351977 504099783 /nfs/dbraw/zinc/09/97/83/504099783.db2.gz TUQPICNEICVARW-HOTGVXAUSA-N 2 1 351.560 3.417 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc2cccnc12 ZINC000544352198 504099955 /nfs/dbraw/zinc/09/99/55/504099955.db2.gz YBYOBAJDEMERSW-NRFANRHFSA-N 2 1 352.526 3.144 20 0 FGADMP CC(C)OCc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000519014342 504119362 /nfs/dbraw/zinc/11/93/62/504119362.db2.gz WMEJIYOKKCRWSZ-UHFFFAOYSA-N 2 1 368.481 3.011 20 0 FGADMP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000530913664 504128458 /nfs/dbraw/zinc/12/84/58/504128458.db2.gz BWIYHMNEQUIUDW-KRWDZBQOSA-N 2 1 373.545 3.133 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000547505610 504129130 /nfs/dbraw/zinc/12/91/30/504129130.db2.gz KFFPBUXOLOWXFH-UHFFFAOYSA-N 2 1 352.544 3.224 20 0 FGADMP CO[C@]1(C)CCC[N@@H+](Cc2cncc(C[NH+]3CCC[C@](C)(OC)C3)c2)C1 ZINC000519078864 504134854 /nfs/dbraw/zinc/13/48/54/504134854.db2.gz RHSSETFADXMQDA-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@@H+]3CCC[C@](C)(OC)C3)c2)C1 ZINC000519078864 504134859 /nfs/dbraw/zinc/13/48/59/504134859.db2.gz RHSSETFADXMQDA-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CO[C@]1(C)CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@](C)(OC)C3)c2)C1 ZINC000519078864 504134861 /nfs/dbraw/zinc/13/48/61/504134861.db2.gz RHSSETFADXMQDA-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(n2ccnc2)CC1 ZINC000528315674 504165818 /nfs/dbraw/zinc/16/58/18/504165818.db2.gz BKEWOGXTGGAHQV-LJQANCHMSA-N 2 1 372.900 3.365 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(n2ccnc2)CC1 ZINC000528315674 504165823 /nfs/dbraw/zinc/16/58/23/504165823.db2.gz BKEWOGXTGGAHQV-LJQANCHMSA-N 2 1 372.900 3.365 20 0 FGADMP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000528341049 504177132 /nfs/dbraw/zinc/17/71/32/504177132.db2.gz UOMFPLGNSPHVQG-HXUWFJFHSA-N 2 1 354.498 3.095 20 0 FGADMP CCCN(C(=O)Cn1c[nH+]cc1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000528341049 504177136 /nfs/dbraw/zinc/17/71/36/504177136.db2.gz UOMFPLGNSPHVQG-HXUWFJFHSA-N 2 1 354.498 3.095 20 0 FGADMP CC1CCC(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000541580146 504185830 /nfs/dbraw/zinc/18/58/30/504185830.db2.gz SUCJAHYENWZYJX-WBFXSEPVSA-N 2 1 352.563 3.403 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000531104716 504190745 /nfs/dbraw/zinc/19/07/45/504190745.db2.gz XDAMZCNKWKHYHW-KRWDZBQOSA-N 2 1 360.527 3.138 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000531104716 504190749 /nfs/dbraw/zinc/19/07/49/504190749.db2.gz XDAMZCNKWKHYHW-KRWDZBQOSA-N 2 1 360.527 3.138 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519361821 504201746 /nfs/dbraw/zinc/20/17/46/504201746.db2.gz FJNSQSRFRKEFDC-MJGOQNOKSA-N 2 1 361.505 3.028 20 0 FGADMP c1csc(C[N@H+]2CCC[C@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)c1 ZINC000544678830 504212858 /nfs/dbraw/zinc/21/28/58/504212858.db2.gz ZNMNBTNKHGBNGE-QGZVFWFLSA-N 2 1 371.554 3.274 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)c1 ZINC000544678830 504212862 /nfs/dbraw/zinc/21/28/62/504212862.db2.gz ZNMNBTNKHGBNGE-QGZVFWFLSA-N 2 1 371.554 3.274 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483984 504230311 /nfs/dbraw/zinc/23/03/11/504230311.db2.gz PHGPKERRXIFDFT-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519483984 504230316 /nfs/dbraw/zinc/23/03/16/504230316.db2.gz PHGPKERRXIFDFT-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519483984 504230318 /nfs/dbraw/zinc/23/03/18/504230318.db2.gz PHGPKERRXIFDFT-SFTDATJTSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789149 504240592 /nfs/dbraw/zinc/24/05/92/504240592.db2.gz FIOJAIWATFBQGV-QGTPRVQTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789149 504240599 /nfs/dbraw/zinc/24/05/99/504240599.db2.gz FIOJAIWATFBQGV-QGTPRVQTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789149 504240603 /nfs/dbraw/zinc/24/06/03/504240603.db2.gz FIOJAIWATFBQGV-QGTPRVQTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789149 504240611 /nfs/dbraw/zinc/24/06/11/504240611.db2.gz FIOJAIWATFBQGV-QGTPRVQTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789151 504240649 /nfs/dbraw/zinc/24/06/49/504240649.db2.gz FIOJAIWATFBQGV-WBAXXEDZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789151 504240658 /nfs/dbraw/zinc/24/06/58/504240658.db2.gz FIOJAIWATFBQGV-WBAXXEDZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789151 504240663 /nfs/dbraw/zinc/24/06/63/504240663.db2.gz FIOJAIWATFBQGV-WBAXXEDZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534789151 504240669 /nfs/dbraw/zinc/24/06/69/504240669.db2.gz FIOJAIWATFBQGV-WBAXXEDZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCCNc2ccc(C)cn2)cc1)C(C)C ZINC000531250374 504242930 /nfs/dbraw/zinc/24/29/30/504242930.db2.gz WKXLWYSIZNZLDZ-UHFFFAOYSA-N 2 1 368.525 3.274 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1)C(C)C ZINC000531250374 504242934 /nfs/dbraw/zinc/24/29/34/504242934.db2.gz WKXLWYSIZNZLDZ-UHFFFAOYSA-N 2 1 368.525 3.274 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1)C(C)C ZINC000531250374 504242940 /nfs/dbraw/zinc/24/29/40/504242940.db2.gz WKXLWYSIZNZLDZ-UHFFFAOYSA-N 2 1 368.525 3.274 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000531288735 504253056 /nfs/dbraw/zinc/25/30/56/504253056.db2.gz KCZLEWICUITCEX-IRXDYDNUSA-N 2 1 352.482 3.097 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000531296647 504256194 /nfs/dbraw/zinc/25/61/94/504256194.db2.gz YKWJXTSAODOLPJ-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000531296647 504256198 /nfs/dbraw/zinc/25/61/98/504256198.db2.gz YKWJXTSAODOLPJ-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000531296647 504256201 /nfs/dbraw/zinc/25/62/01/504256201.db2.gz YKWJXTSAODOLPJ-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1)CC1CC1 ZINC000544793679 504260756 /nfs/dbraw/zinc/26/07/56/504260756.db2.gz AQRBKSAMWKQBTR-UHFFFAOYSA-N 2 1 358.530 3.122 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000519641569 504285029 /nfs/dbraw/zinc/28/50/29/504285029.db2.gz FSPLKGOVWNWQKU-HXUWFJFHSA-N 2 1 373.928 3.363 20 0 FGADMP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963659 504294872 /nfs/dbraw/zinc/29/48/72/504294872.db2.gz HJBXEFYZXFJICY-RBUKOAKNSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccc2ccccc2c1 ZINC000519703161 504309745 /nfs/dbraw/zinc/30/97/45/504309745.db2.gz ZDAXRNHZYYIHEN-FQEVSTJZSA-N 2 1 353.466 3.154 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000538649919 504315574 /nfs/dbraw/zinc/31/55/74/504315574.db2.gz UNLSGQFENUVHQH-UHFFFAOYSA-N 2 1 352.482 3.387 20 0 FGADMP O=C([C@H]1CCCc2nc[nH]c21)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000548082605 504322322 /nfs/dbraw/zinc/32/23/22/504322322.db2.gz XWIQWGMEFDDFTN-KRWDZBQOSA-N 2 1 372.900 3.218 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720175 504342528 /nfs/dbraw/zinc/34/25/28/504342528.db2.gz KYBHCWKCIKXFIW-CRAIPNDOSA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720175 504342533 /nfs/dbraw/zinc/34/25/33/504342533.db2.gz KYBHCWKCIKXFIW-CRAIPNDOSA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@H]1C ZINC000538720175 504342537 /nfs/dbraw/zinc/34/25/37/504342537.db2.gz KYBHCWKCIKXFIW-CRAIPNDOSA-N 2 1 358.486 3.262 20 0 FGADMP COc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cs1 ZINC000519816947 504351480 /nfs/dbraw/zinc/35/14/80/504351480.db2.gz AWUVZCUGONKJMY-MJGOQNOKSA-N 2 1 373.522 3.147 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000538773325 504364240 /nfs/dbraw/zinc/36/42/40/504364240.db2.gz JBKNCNNAQSDCIC-FQEVSTJZSA-N 2 1 372.557 3.424 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725004 504405281 /nfs/dbraw/zinc/40/52/81/504405281.db2.gz SOWNBKZHRXKNEW-DVOMOZLQSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725004 504405283 /nfs/dbraw/zinc/40/52/83/504405283.db2.gz SOWNBKZHRXKNEW-DVOMOZLQSA-N 2 1 357.420 3.495 20 0 FGADMP C[N@H+]1CCCC12CCN(CCOc1ccc(Br)cc1)CC2 ZINC000542269207 504432432 /nfs/dbraw/zinc/43/24/32/504432432.db2.gz FREAYSXDXUAHLV-UHFFFAOYSA-N 2 1 353.304 3.388 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)[NH+]2CCCC2)o1 ZINC000545309091 504439110 /nfs/dbraw/zinc/43/91/10/504439110.db2.gz SKHFQPZXDZFRBL-LJQANCHMSA-N 2 1 361.530 3.496 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1)CC(C)C ZINC000539100404 504473053 /nfs/dbraw/zinc/47/30/53/504473053.db2.gz VWBPGCLUEQSKOJ-LJQANCHMSA-N 2 1 351.579 3.325 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520346878 504474018 /nfs/dbraw/zinc/47/40/18/504474018.db2.gz FSLWHKPDVWRCNT-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520346878 504474024 /nfs/dbraw/zinc/47/40/24/504474024.db2.gz FSLWHKPDVWRCNT-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520346878 504474030 /nfs/dbraw/zinc/47/40/30/504474030.db2.gz FSLWHKPDVWRCNT-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000542450577 504494443 /nfs/dbraw/zinc/49/44/43/504494443.db2.gz FFARWJVFCIYKAB-HXUWFJFHSA-N 2 1 372.557 3.087 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000539294832 504522142 /nfs/dbraw/zinc/52/21/42/504522142.db2.gz JENRHOVGSVOZDK-JTSKRJEESA-N 2 1 354.542 3.470 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000539294832 504522147 /nfs/dbraw/zinc/52/21/47/504522147.db2.gz JENRHOVGSVOZDK-JTSKRJEESA-N 2 1 354.542 3.470 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000529116502 504541007 /nfs/dbraw/zinc/54/10/07/504541007.db2.gz YJIOQESWUMZJTF-ICSRJNTNSA-N 2 1 356.514 3.374 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC000535806504 504550822 /nfs/dbraw/zinc/55/08/22/504550822.db2.gz ZFNVYJWRSMYMHQ-RBBKRZOGSA-N 2 1 371.569 3.467 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548814904 504577397 /nfs/dbraw/zinc/57/73/97/504577397.db2.gz XTBGWTFKCUOYKC-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854019 504597250 /nfs/dbraw/zinc/59/72/50/504597250.db2.gz TYDJUYDFHPIALB-VXKWHMMOSA-N 2 1 365.521 3.379 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000520908842 504608251 /nfs/dbraw/zinc/60/82/51/504608251.db2.gz FAXNRZKVBRBGTH-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000520908842 504608257 /nfs/dbraw/zinc/60/82/57/504608257.db2.gz FAXNRZKVBRBGTH-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000520908842 504608261 /nfs/dbraw/zinc/60/82/61/504608261.db2.gz FAXNRZKVBRBGTH-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786189 504609737 /nfs/dbraw/zinc/60/97/37/504609737.db2.gz IAJALVCHLTZWCU-OALUTQOASA-N 2 1 366.509 3.029 20 0 FGADMP Cc1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(-c2ccnn2C)c1 ZINC000548976730 504642165 /nfs/dbraw/zinc/64/21/65/504642165.db2.gz FCOXQBSISLUDNK-KDURUIRLSA-N 2 1 370.541 3.375 20 0 FGADMP CSc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1F ZINC000532505511 504674496 /nfs/dbraw/zinc/67/44/96/504674496.db2.gz KHFPYZIQRMGVIE-AWEZNQCLSA-N 2 1 367.534 3.141 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000539822807 504704654 /nfs/dbraw/zinc/70/46/54/504704654.db2.gz MWQYSVMZBDQOFT-XXBNENTESA-N 2 1 364.537 3.206 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCCC1 ZINC000521521745 504752253 /nfs/dbraw/zinc/75/22/53/504752253.db2.gz KLIJLPWKSJEOTA-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000532838160 504765243 /nfs/dbraw/zinc/76/52/43/504765243.db2.gz DCPYAQFBAGCDLW-RBUKOAKNSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000565026620 504774238 /nfs/dbraw/zinc/77/42/38/504774238.db2.gz VSIVAAWPPNWTNL-KBXCAEBGSA-N 2 1 351.922 3.131 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556117688 504800710 /nfs/dbraw/zinc/80/07/10/504800710.db2.gz FMQMQHAVHZDAQZ-KNQAVFIVSA-N 2 1 367.493 3.449 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556117688 504800712 /nfs/dbraw/zinc/80/07/12/504800712.db2.gz FMQMQHAVHZDAQZ-KNQAVFIVSA-N 2 1 367.493 3.449 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4cc(C)ccc43)CC2)CC1 ZINC000565179182 504818420 /nfs/dbraw/zinc/81/84/20/504818420.db2.gz GZGGYVKERVAWID-QFIPXVFZSA-N 2 1 369.553 3.295 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234661 504824675 /nfs/dbraw/zinc/82/46/75/504824675.db2.gz WLKZSPBRQKQNDA-ZWKOTPCHSA-N 2 1 355.530 3.423 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000565274259 504839958 /nfs/dbraw/zinc/83/99/58/504839958.db2.gz AKHZZRHITHUXKW-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274259 504839963 /nfs/dbraw/zinc/83/99/63/504839963.db2.gz AKHZZRHITHUXKW-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000565274259 504839966 /nfs/dbraw/zinc/83/99/66/504839966.db2.gz AKHZZRHITHUXKW-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000553172692 504844349 /nfs/dbraw/zinc/84/43/49/504844349.db2.gz YYEVDEBPDCDMAC-FAKFISEUSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172692 504844353 /nfs/dbraw/zinc/84/43/53/504844353.db2.gz YYEVDEBPDCDMAC-FAKFISEUSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172692 504844356 /nfs/dbraw/zinc/84/43/56/504844356.db2.gz YYEVDEBPDCDMAC-FAKFISEUSA-N 2 1 369.553 3.372 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](c3ccnn3C)C2)cc1 ZINC000562523010 504845675 /nfs/dbraw/zinc/84/56/75/504845675.db2.gz SAUOMWFMBVGGEZ-RRMPHLOHSA-N 2 1 365.481 3.485 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000553365205 504894888 /nfs/dbraw/zinc/89/48/88/504894888.db2.gz UBCIDJMYCMIJIO-OAQYLSRUSA-N 2 1 373.516 3.126 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000549801136 504901193 /nfs/dbraw/zinc/90/11/93/504901193.db2.gz OZEHDUVXRXIRLA-LJQANCHMSA-N 2 1 353.514 3.048 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000549801136 504901195 /nfs/dbraw/zinc/90/11/95/504901195.db2.gz OZEHDUVXRXIRLA-LJQANCHMSA-N 2 1 353.514 3.048 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000549801136 504901198 /nfs/dbraw/zinc/90/11/98/504901198.db2.gz OZEHDUVXRXIRLA-LJQANCHMSA-N 2 1 353.514 3.048 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000549801136 504901201 /nfs/dbraw/zinc/90/12/01/504901201.db2.gz OZEHDUVXRXIRLA-LJQANCHMSA-N 2 1 353.514 3.048 20 0 FGADMP c1[nH]c2nccnc2c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000565513018 504908223 /nfs/dbraw/zinc/90/82/23/504908223.db2.gz YOQFDJBWNIUCTE-QFIPXVFZSA-N 2 1 361.493 3.398 20 0 FGADMP c1[nH]c2nccnc2c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000565513018 504908229 /nfs/dbraw/zinc/90/82/29/504908229.db2.gz YOQFDJBWNIUCTE-QFIPXVFZSA-N 2 1 361.493 3.398 20 0 FGADMP c1[nH]c2nccnc2c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000565513018 504908232 /nfs/dbraw/zinc/90/82/32/504908232.db2.gz YOQFDJBWNIUCTE-QFIPXVFZSA-N 2 1 361.493 3.398 20 0 FGADMP c1[nH]c2nccnc2c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000565513018 504908237 /nfs/dbraw/zinc/90/82/37/504908237.db2.gz YOQFDJBWNIUCTE-QFIPXVFZSA-N 2 1 361.493 3.398 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)(C)C1 ZINC000553497584 504932089 /nfs/dbraw/zinc/93/20/89/504932089.db2.gz DSNYYTQECHDNCC-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000553497584 504932090 /nfs/dbraw/zinc/93/20/90/504932090.db2.gz DSNYYTQECHDNCC-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000553497584 504932093 /nfs/dbraw/zinc/93/20/93/504932093.db2.gz DSNYYTQECHDNCC-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1n1cccn1 ZINC000559925337 504952302 /nfs/dbraw/zinc/95/23/02/504952302.db2.gz VYMZBKRWJVJUFR-VOFPXKNKSA-N 2 1 368.525 3.102 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H]1n1cccn1 ZINC000559925337 504952305 /nfs/dbraw/zinc/95/23/05/504952305.db2.gz VYMZBKRWJVJUFR-VOFPXKNKSA-N 2 1 368.525 3.102 20 0 FGADMP CCc1cccc2c(C3CC[NH+](C[C@@H](O)C[N@H+](C)C4CC4)CC3)c[nH]c21 ZINC000565683045 504957609 /nfs/dbraw/zinc/95/76/09/504957609.db2.gz KOKYJCRZUXTOLK-IBGZPJMESA-N 2 1 355.526 3.365 20 0 FGADMP CCc1cccc2c(C3CC[NH+](C[C@@H](O)C[N@@H+](C)C4CC4)CC3)c[nH]c21 ZINC000565683045 504957612 /nfs/dbraw/zinc/95/76/12/504957612.db2.gz KOKYJCRZUXTOLK-IBGZPJMESA-N 2 1 355.526 3.365 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705081 504964339 /nfs/dbraw/zinc/96/43/39/504964339.db2.gz FULKMLNGRYOQQU-QZTJIDSGSA-N 2 1 370.541 3.451 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550101956 504967489 /nfs/dbraw/zinc/96/74/89/504967489.db2.gz XCVQIJMZPKDOTQ-UHFFFAOYSA-N 2 1 369.509 3.442 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000562867014 504970051 /nfs/dbraw/zinc/97/00/51/504970051.db2.gz QGXFPOCGTDKNRH-DUXKGJEZSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000562867014 504970054 /nfs/dbraw/zinc/97/00/54/504970054.db2.gz QGXFPOCGTDKNRH-DUXKGJEZSA-N 2 1 373.516 3.265 20 0 FGADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn2)c1 ZINC000562959130 505000759 /nfs/dbraw/zinc/00/07/59/505000759.db2.gz VGIFJPIHLWLILN-SLFFLAALSA-N 2 1 371.456 3.260 20 0 FGADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556884434 505005712 /nfs/dbraw/zinc/00/57/12/505005712.db2.gz KFYCWHBPVPDWLN-AHJNKEMKSA-N 2 1 369.553 3.182 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cn1 ZINC000560256771 505031065 /nfs/dbraw/zinc/03/10/65/505031065.db2.gz IEOGJKOIPUEMNY-UHFFFAOYSA-N 2 1 368.525 3.021 20 0 FGADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)c1cccc(F)c1 ZINC000566089007 505077470 /nfs/dbraw/zinc/07/74/70/505077470.db2.gz AEAMXVUCNUJKES-YOFSQIOKSA-N 2 1 353.441 3.451 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@@H]1c1ccccc1 ZINC000550644632 505077901 /nfs/dbraw/zinc/07/79/01/505077901.db2.gz VWUUUXPWZHQWCO-LEWJYISDSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@@H]1c1ccccc1 ZINC000550644632 505077906 /nfs/dbraw/zinc/07/79/06/505077906.db2.gz VWUUUXPWZHQWCO-LEWJYISDSA-N 2 1 372.534 3.156 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)N(C(C)C)C(C)C)C2)s1 ZINC000563218992 505078434 /nfs/dbraw/zinc/07/84/34/505078434.db2.gz YJDFHYRQAXVHLG-SFHVURJKSA-N 2 1 365.587 3.456 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000566106291 505082146 /nfs/dbraw/zinc/08/21/46/505082146.db2.gz LZEIPRFZRTZIHO-ZDUSSCGKSA-N 2 1 368.403 3.465 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)C[C@H]1c1ccccc1 ZINC000550819515 505108511 /nfs/dbraw/zinc/10/85/11/505108511.db2.gz QXKMRJCYCXFTJN-WATLYSKOSA-N 2 1 356.535 3.490 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)C[C@H]1c1ccccc1 ZINC000550819515 505108513 /nfs/dbraw/zinc/10/85/13/505108513.db2.gz QXKMRJCYCXFTJN-WATLYSKOSA-N 2 1 356.535 3.490 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000566208358 505111993 /nfs/dbraw/zinc/11/19/93/505111993.db2.gz OPPXTJWFZBFFQT-NHCUHLMSSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1sccc1CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560523809 505114015 /nfs/dbraw/zinc/11/40/15/505114015.db2.gz CNJKHPYDDNFGSM-NRFANRHFSA-N 2 1 355.551 3.449 20 0 FGADMP Cc1sccc1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560523809 505114021 /nfs/dbraw/zinc/11/40/21/505114021.db2.gz CNJKHPYDDNFGSM-NRFANRHFSA-N 2 1 355.551 3.449 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@H]21 ZINC000566244136 505121425 /nfs/dbraw/zinc/12/14/25/505121425.db2.gz CNYQTWQGCRITQR-MAODMQOUSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@H]21 ZINC000566244136 505121428 /nfs/dbraw/zinc/12/14/28/505121428.db2.gz CNYQTWQGCRITQR-MAODMQOUSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@H]21 ZINC000566244139 505121922 /nfs/dbraw/zinc/12/19/22/505121922.db2.gz CNYQTWQGCRITQR-ZLGUVYLKSA-N 2 1 365.477 3.477 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc(Oc4ccccc4)c3)C[C@H]21 ZINC000566244139 505121928 /nfs/dbraw/zinc/12/19/28/505121928.db2.gz CNYQTWQGCRITQR-ZLGUVYLKSA-N 2 1 365.477 3.477 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(C)cc3)CC2)CC1 ZINC000557430844 505132990 /nfs/dbraw/zinc/13/29/90/505132990.db2.gz HNVDBEOJSHVWPT-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000560582400 505133522 /nfs/dbraw/zinc/13/35/22/505133522.db2.gz BTMUZWZXAHJWAJ-ROUUACIJSA-N 2 1 371.525 3.305 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000560582400 505133524 /nfs/dbraw/zinc/13/35/24/505133524.db2.gz BTMUZWZXAHJWAJ-ROUUACIJSA-N 2 1 371.525 3.305 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000557483750 505146732 /nfs/dbraw/zinc/14/67/32/505146732.db2.gz UKUBRNZXYOBIQZ-FQEVSTJZSA-N 2 1 364.493 3.457 20 0 FGADMP CCN1CCCC[C@H]1C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1 ZINC000557483750 505146736 /nfs/dbraw/zinc/14/67/36/505146736.db2.gz UKUBRNZXYOBIQZ-FQEVSTJZSA-N 2 1 364.493 3.457 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000563507189 505161176 /nfs/dbraw/zinc/16/11/76/505161176.db2.gz LJJZYONDPPWOEC-IBGZPJMESA-N 2 1 372.513 3.087 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459982 505181918 /nfs/dbraw/zinc/18/19/18/505181918.db2.gz NNRWPPMFBFXETR-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459982 505181923 /nfs/dbraw/zinc/18/19/23/505181923.db2.gz NNRWPPMFBFXETR-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP CC1(C)CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000566459982 505181925 /nfs/dbraw/zinc/18/19/25/505181925.db2.gz NNRWPPMFBFXETR-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000566614441 505223252 /nfs/dbraw/zinc/22/32/52/505223252.db2.gz UZPDXWGXLLTAGH-ZJQURUERSA-N 2 1 351.494 3.010 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cn1 ZINC000563771779 505233086 /nfs/dbraw/zinc/23/30/86/505233086.db2.gz YOXQEMACGPOKHZ-FQEVSTJZSA-N 2 1 360.477 3.433 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc4occc4c3)CC2)CC1 ZINC000563915943 505274425 /nfs/dbraw/zinc/27/44/25/505274425.db2.gz GKPOPGUYCABIOP-UHFFFAOYSA-N 2 1 369.509 3.199 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952121 505286838 /nfs/dbraw/zinc/28/68/38/505286838.db2.gz BRRUSHLHSPJRIH-WTNAPCKOSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952121 505286841 /nfs/dbraw/zinc/28/68/41/505286841.db2.gz BRRUSHLHSPJRIH-WTNAPCKOSA-N 2 1 356.485 3.372 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566962898 505324611 /nfs/dbraw/zinc/32/46/11/505324611.db2.gz SCMRUFBHUGHZOS-HXUWFJFHSA-N 2 1 372.557 3.202 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000566962891 505325062 /nfs/dbraw/zinc/32/50/62/505325062.db2.gz SCMRUFBHUGHZOS-FQEVSTJZSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)cnc12 ZINC000558176200 505327287 /nfs/dbraw/zinc/32/72/87/505327287.db2.gz OZCRNGUZUJTOJH-CQSZACIVSA-N 2 1 365.319 3.225 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cnc12 ZINC000558176200 505327293 /nfs/dbraw/zinc/32/72/93/505327293.db2.gz OZCRNGUZUJTOJH-CQSZACIVSA-N 2 1 365.319 3.225 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552043957 505379853 /nfs/dbraw/zinc/37/98/53/505379853.db2.gz IERNONIFXQDNEQ-FHWLQOOXSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552043957 505379856 /nfs/dbraw/zinc/37/98/56/505379856.db2.gz IERNONIFXQDNEQ-FHWLQOOXSA-N 2 1 351.604 3.201 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000552043957 505379859 /nfs/dbraw/zinc/37/98/59/505379859.db2.gz IERNONIFXQDNEQ-FHWLQOOXSA-N 2 1 351.604 3.201 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c2ccccc21 ZINC000555233730 505386283 /nfs/dbraw/zinc/38/62/83/505386283.db2.gz FJWLWMPBTRPNLH-DUXKGJEZSA-N 2 1 374.525 3.259 20 0 FGADMP CSc1ccc([C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+](C)C)cc1 ZINC000555265555 505394643 /nfs/dbraw/zinc/39/46/43/505394643.db2.gz XSCLCCIUBHRMRY-SFHVURJKSA-N 2 1 371.554 3.326 20 0 FGADMP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552251221 505441894 /nfs/dbraw/zinc/44/18/94/505441894.db2.gz OHOAJYMMSWYNDZ-NJDAHSKKSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cnn(C2CCCC2)c1 ZINC000558621107 505442268 /nfs/dbraw/zinc/44/22/68/505442268.db2.gz IPFFJVQUSLMRME-ORYQWCPZSA-N 2 1 360.546 3.417 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000555548752 505453695 /nfs/dbraw/zinc/45/36/95/505453695.db2.gz MGEOMQCAOWXJKY-OAQYLSRUSA-N 2 1 371.569 3.418 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000555548752 505453700 /nfs/dbraw/zinc/45/37/00/505453700.db2.gz MGEOMQCAOWXJKY-OAQYLSRUSA-N 2 1 371.569 3.418 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000555548752 505453704 /nfs/dbraw/zinc/45/37/04/505453704.db2.gz MGEOMQCAOWXJKY-OAQYLSRUSA-N 2 1 371.569 3.418 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558098 505456805 /nfs/dbraw/zinc/45/68/05/505456805.db2.gz GEESCFMPFXLBPW-ZWKOTPCHSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558098 505456806 /nfs/dbraw/zinc/45/68/06/505456806.db2.gz GEESCFMPFXLBPW-ZWKOTPCHSA-N 2 1 359.514 3.283 20 0 FGADMP C/C=C/c1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000567690108 505537827 /nfs/dbraw/zinc/53/78/27/505537827.db2.gz YLMMCCHXXXNWQY-JSWMXWNZSA-N 2 1 374.525 3.073 20 0 FGADMP CCc1[nH+]c2ccccc2c(NC[C@H](C)CN2CC[NH+](CC)CC2)c1C ZINC000562240929 505549774 /nfs/dbraw/zinc/54/97/74/505549774.db2.gz NQMCHFGTZFTBQU-KRWDZBQOSA-N 2 1 354.542 3.213 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000562252124 505553509 /nfs/dbraw/zinc/55/35/09/505553509.db2.gz BUUPCAAYHYKWBV-GOSISDBHSA-N 2 1 354.583 3.259 20 0 FGADMP Cc1cc(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893708 505570378 /nfs/dbraw/zinc/57/03/78/505570378.db2.gz NEYINQBUFBYOBN-JKSUJKDBSA-N 2 1 371.447 3.171 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000608061598 506403376 /nfs/dbraw/zinc/40/33/76/506403376.db2.gz ZKBNOZWAOHICCN-VQIMIIECSA-N 2 1 355.482 3.242 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OCc1ccncc1 ZINC000608061598 506403382 /nfs/dbraw/zinc/40/33/82/506403382.db2.gz ZKBNOZWAOHICCN-VQIMIIECSA-N 2 1 355.482 3.242 20 0 FGADMP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894734 506477368 /nfs/dbraw/zinc/47/73/68/506477368.db2.gz LZEUQJRQEYDIIA-SFTDATJTSA-N 2 1 366.509 3.156 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000596650255 506509810 /nfs/dbraw/zinc/50/98/10/506509810.db2.gz NAHWLNHUEOGEER-PBOLBBRVSA-N 2 1 362.489 3.229 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000582995599 506528145 /nfs/dbraw/zinc/52/81/45/506528145.db2.gz CPVIEYABDWUTPP-QHCPKHFHSA-N 2 1 350.506 3.282 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]CC3Cc4ccccc4C3)C2)cc1 ZINC000582995599 506528148 /nfs/dbraw/zinc/52/81/48/506528148.db2.gz CPVIEYABDWUTPP-QHCPKHFHSA-N 2 1 350.506 3.282 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608674013 506659217 /nfs/dbraw/zinc/65/92/17/506659217.db2.gz NEMVRGDDQZGNER-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282329 506694897 /nfs/dbraw/zinc/69/48/97/506694897.db2.gz WRYMIYYUQYOJRH-RLLQIKCJSA-N 2 1 368.500 3.442 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282329 506694904 /nfs/dbraw/zinc/69/49/04/506694904.db2.gz WRYMIYYUQYOJRH-RLLQIKCJSA-N 2 1 368.500 3.442 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000597155102 506802484 /nfs/dbraw/zinc/80/24/84/506802484.db2.gz FICLWPKPMMQQPH-MJGOQNOKSA-N 2 1 356.441 3.047 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000597155102 506802490 /nfs/dbraw/zinc/80/24/90/506802490.db2.gz FICLWPKPMMQQPH-MJGOQNOKSA-N 2 1 356.441 3.047 20 0 FGADMP COC(=O)Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185954 506828528 /nfs/dbraw/zinc/82/85/28/506828528.db2.gz VTIXYMCERSJNJE-GCJKJVERSA-N 2 1 366.505 3.402 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000583597299 506868023 /nfs/dbraw/zinc/86/80/23/506868023.db2.gz CZAZMNLXPKUFPG-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000583597299 506868027 /nfs/dbraw/zinc/86/80/27/506868027.db2.gz CZAZMNLXPKUFPG-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000583597299 506868031 /nfs/dbraw/zinc/86/80/31/506868031.db2.gz CZAZMNLXPKUFPG-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C2CC2)o1 ZINC000590786145 506955723 /nfs/dbraw/zinc/95/57/23/506955723.db2.gz CPULCXYAPJZGLP-UHFFFAOYSA-N 2 1 361.530 3.131 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000590787108 506958038 /nfs/dbraw/zinc/95/80/38/506958038.db2.gz RVKUPEADHQHDOP-QGZVFWFLSA-N 2 1 363.521 3.397 20 0 FGADMP CC(C)c1[nH+]c(CNC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c2ccccn21 ZINC000583876192 507024309 /nfs/dbraw/zinc/02/43/09/507024309.db2.gz JENKHTVVXNUORN-RTWAWAEBSA-N 2 1 370.541 3.315 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2C)cc1 ZINC000583934652 507059078 /nfs/dbraw/zinc/05/90/78/507059078.db2.gz PPTHDEYECCOUOM-QFIPXVFZSA-N 2 1 368.525 3.132 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2C)cc1 ZINC000583934652 507059084 /nfs/dbraw/zinc/05/90/84/507059084.db2.gz PPTHDEYECCOUOM-QFIPXVFZSA-N 2 1 368.525 3.132 20 0 FGADMP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000583961600 507072714 /nfs/dbraw/zinc/07/27/14/507072714.db2.gz ICBKNCYNJPHQLN-UHFFFAOYSA-N 2 1 350.478 3.012 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000584017475 507103575 /nfs/dbraw/zinc/10/35/75/507103575.db2.gz ULZFDEPINGJVQT-GOSISDBHSA-N 2 1 362.514 3.281 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095056 507111250 /nfs/dbraw/zinc/11/12/50/507111250.db2.gz UPIWBJZPLVPWJN-RTWAWAEBSA-N 2 1 373.541 3.213 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000591096974 507114006 /nfs/dbraw/zinc/11/40/06/507114006.db2.gz PCSJLSVEWVHIFT-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000591096974 507114011 /nfs/dbraw/zinc/11/40/11/507114011.db2.gz PCSJLSVEWVHIFT-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000591096974 507114015 /nfs/dbraw/zinc/11/40/15/507114015.db2.gz PCSJLSVEWVHIFT-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859702 507150890 /nfs/dbraw/zinc/15/08/90/507150890.db2.gz MXYFRQOYDNIDMX-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859702 507150896 /nfs/dbraw/zinc/15/08/96/507150896.db2.gz MXYFRQOYDNIDMX-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859702 507150904 /nfs/dbraw/zinc/15/09/04/507150904.db2.gz MXYFRQOYDNIDMX-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000605339828 507153503 /nfs/dbraw/zinc/15/35/03/507153503.db2.gz QMJCUSWCLSNLCC-WOJBJXKFSA-N 2 1 374.529 3.156 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c(C)o1 ZINC000594611391 507210493 /nfs/dbraw/zinc/21/04/93/507210493.db2.gz DKJKSBIYFACGCJ-SFHVURJKSA-N 2 1 356.466 3.029 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)o1 ZINC000594611391 507210500 /nfs/dbraw/zinc/21/05/00/507210500.db2.gz DKJKSBIYFACGCJ-SFHVURJKSA-N 2 1 356.466 3.029 20 0 FGADMP CC[NH+]1CCC(NC(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000591425822 507246379 /nfs/dbraw/zinc/24/63/79/507246379.db2.gz XLOFKMAERXSNTQ-SFHVURJKSA-N 2 1 373.541 3.154 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000591427788 507246648 /nfs/dbraw/zinc/24/66/48/507246648.db2.gz PCONYDHQDYMUQB-LJQANCHMSA-N 2 1 373.541 3.106 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000591427788 507246657 /nfs/dbraw/zinc/24/66/57/507246657.db2.gz PCONYDHQDYMUQB-LJQANCHMSA-N 2 1 373.541 3.106 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000584346152 507293974 /nfs/dbraw/zinc/29/39/74/507293974.db2.gz UTDHIHFHKLDYMQ-FUHWJXTLSA-N 2 1 358.448 3.176 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000601236202 507305827 /nfs/dbraw/zinc/30/58/27/507305827.db2.gz JVYWWJHOWDEDEY-FQEVSTJZSA-N 2 1 360.546 3.199 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000591618340 507314304 /nfs/dbraw/zinc/31/43/04/507314304.db2.gz QDVVXNREUMULFH-HXUWFJFHSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000614102499 507365384 /nfs/dbraw/zinc/36/53/84/507365384.db2.gz PCGOETVKIXXOCG-PMACEKPBSA-N 2 1 361.505 3.177 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000614102499 507365390 /nfs/dbraw/zinc/36/53/90/507365390.db2.gz PCGOETVKIXXOCG-PMACEKPBSA-N 2 1 361.505 3.177 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000584497246 507377867 /nfs/dbraw/zinc/37/78/67/507377867.db2.gz OWPZQNMVRXIWKA-QFIPXVFZSA-N 2 1 371.569 3.302 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536113 507438071 /nfs/dbraw/zinc/43/80/71/507438071.db2.gz SGCDBEYYJFCLMY-RTBURBONSA-N 2 1 363.933 3.420 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584839531 507533484 /nfs/dbraw/zinc/53/34/84/507533484.db2.gz BOJLTXZBEUNCGU-KOZAUXTDSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000584839531 507533491 /nfs/dbraw/zinc/53/34/91/507533491.db2.gz BOJLTXZBEUNCGU-KOZAUXTDSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000586756131 507661228 /nfs/dbraw/zinc/66/12/28/507661228.db2.gz CADLQFNUWSLPFT-JTJHWIPRSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756131 507661231 /nfs/dbraw/zinc/66/12/31/507661231.db2.gz CADLQFNUWSLPFT-JTJHWIPRSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756131 507661237 /nfs/dbraw/zinc/66/12/37/507661237.db2.gz CADLQFNUWSLPFT-JTJHWIPRSA-N 2 1 357.542 3.276 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)CC(C)C ZINC000592483674 507674861 /nfs/dbraw/zinc/67/48/61/507674861.db2.gz HFJAFNRBCFCYGV-MJGOQNOKSA-N 2 1 352.567 3.059 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000607384859 507715844 /nfs/dbraw/zinc/71/58/44/507715844.db2.gz GMOBBEMLDGGANL-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000636730098 567985380 /nfs/dbraw/zinc/98/53/80/567985380.db2.gz DZWXJTJFSVZQJJ-LJQANCHMSA-N 2 1 364.578 3.157 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)COCc1ccccc1 ZINC000390782466 568226777 /nfs/dbraw/zinc/22/67/77/568226777.db2.gz SBALYJOTYQNXCZ-XZOQPEGZSA-N 2 1 368.521 3.066 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNc2[nH+]c(C)cc(C)c2-c2nn[nH]n2)cc1 ZINC000821197427 599320141 /nfs/dbraw/zinc/32/01/41/599320141.db2.gz KZZJCMKPZYSODC-UHFFFAOYSA-N 2 1 365.485 3.332 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948692 609133473 /nfs/dbraw/zinc/13/34/73/609133473.db2.gz UYJGLIFVQCKIIZ-HUUCEWRRSA-N 2 1 360.481 3.169 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157232366 705148878 /nfs/dbraw/zinc/14/88/78/705148878.db2.gz AHOHCCHNUJAWBC-ROUUACIJSA-N 2 1 352.906 3.030 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157232366 705148881 /nfs/dbraw/zinc/14/88/81/705148881.db2.gz AHOHCCHNUJAWBC-ROUUACIJSA-N 2 1 352.906 3.030 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000173339677 705454451 /nfs/dbraw/zinc/45/44/51/705454451.db2.gz DJWLNXPIRFJNKH-CRAIPNDOSA-N 2 1 351.535 3.286 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000174206652 705491219 /nfs/dbraw/zinc/49/12/19/705491219.db2.gz SLMIPTIGXPZYNJ-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000180392414 705738311 /nfs/dbraw/zinc/73/83/11/705738311.db2.gz NZWLDOVYTOIMHC-AWEZNQCLSA-N 2 1 353.304 3.381 20 0 FGADMP Cc1cc(Br)cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1O ZINC000180392414 705738315 /nfs/dbraw/zinc/73/83/15/705738315.db2.gz NZWLDOVYTOIMHC-AWEZNQCLSA-N 2 1 353.304 3.381 20 0 FGADMP CC(C)(CCN1CCCCCC1)[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449255592 714041463 /nfs/dbraw/zinc/04/14/63/714041463.db2.gz FLLXZKSAWVDBNE-UHFFFAOYSA-N 2 1 352.544 3.224 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sc(C(C)C)nc1C ZINC000523094811 714218132 /nfs/dbraw/zinc/21/81/32/714218132.db2.gz HTJRFYWWOPUQEB-INIZCTEOSA-N 2 1 366.575 3.063 20 0 FGADMP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000524371396 714280505 /nfs/dbraw/zinc/28/05/05/714280505.db2.gz FSJMUPDPYUKJNJ-SFHVURJKSA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000524371396 714280508 /nfs/dbraw/zinc/28/05/08/714280508.db2.gz FSJMUPDPYUKJNJ-SFHVURJKSA-N 2 1 366.937 3.068 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3ccc(F)cc32)c2cccs2)CC1 ZINC000531678155 714425791 /nfs/dbraw/zinc/42/57/91/714425791.db2.gz CYVGCDNUMOJALY-RTBURBONSA-N 2 1 359.514 3.453 20 0 FGADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(I)cc1 ZINC000615967225 714559425 /nfs/dbraw/zinc/55/94/25/714559425.db2.gz WCSDNVYJQZVTSR-OAHLLOKOSA-N 2 1 369.250 3.308 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000617503238 714662813 /nfs/dbraw/zinc/66/28/13/714662813.db2.gz AKOAAEQIBZXSAW-INIZCTEOSA-N 2 1 365.949 3.051 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(Cc2cccc(Cl)c2)CC1 ZINC000617503238 714662814 /nfs/dbraw/zinc/66/28/14/714662814.db2.gz AKOAAEQIBZXSAW-INIZCTEOSA-N 2 1 365.949 3.051 20 0 FGADMP CCOc1ccccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000620437356 714916171 /nfs/dbraw/zinc/91/61/71/714916171.db2.gz KUQSPYVUSCRJHB-GOSISDBHSA-N 2 1 359.539 3.225 20 0 FGADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003764 715046413 /nfs/dbraw/zinc/04/64/13/715046413.db2.gz FNZJHFARRXICQT-RHSMWYFYSA-N 2 1 350.388 3.204 20 0 FGADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003764 715046416 /nfs/dbraw/zinc/04/64/16/715046416.db2.gz FNZJHFARRXICQT-RHSMWYFYSA-N 2 1 350.388 3.204 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1)c1c[nH+]ccc1N ZINC000643455597 718034713 /nfs/dbraw/zinc/03/47/13/718034713.db2.gz ZNLXHFARBSSTOS-TZMCWYRMSA-N 2 1 350.388 3.442 20 0 FGADMP FC(F)CN1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000623088923 715162563 /nfs/dbraw/zinc/16/25/63/715162563.db2.gz LTAIMWIJIGSOKX-UHFFFAOYSA-N 2 1 351.485 3.218 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384105 715323012 /nfs/dbraw/zinc/32/30/12/715323012.db2.gz OUWHEOIWXURNBC-RTBURBONSA-N 2 1 365.949 3.176 20 0 FGADMP CSc1nnc(CCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)n1CC(C)C ZINC000623418619 715332698 /nfs/dbraw/zinc/33/26/98/715332698.db2.gz XYCAKGTVWASACG-HNNXBMFYSA-N 2 1 353.580 3.051 20 0 FGADMP COc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)ccc1Cl ZINC000623564142 715362175 /nfs/dbraw/zinc/36/21/75/715362175.db2.gz SYEPJFWFNDPYEC-SFHVURJKSA-N 2 1 360.885 3.205 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119932 715476476 /nfs/dbraw/zinc/47/64/76/715476476.db2.gz MUSDEQNEROJJHX-LSDHHAIUSA-N 2 1 367.921 3.387 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191007 716123430 /nfs/dbraw/zinc/12/34/30/716123430.db2.gz XFTQCDZQJKQZCK-KZNAEPCWSA-N 2 1 356.432 3.431 20 0 FGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000628328699 716139334 /nfs/dbraw/zinc/13/93/34/716139334.db2.gz SUTJDCDVHIOICD-GOSISDBHSA-N 2 1 356.432 3.435 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514352 716301920 /nfs/dbraw/zinc/30/19/20/716301920.db2.gz RIZAVXDTVNYEQF-ZBFHGGJFSA-N 2 1 368.319 3.008 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514352 716301923 /nfs/dbraw/zinc/30/19/23/716301923.db2.gz RIZAVXDTVNYEQF-ZBFHGGJFSA-N 2 1 368.319 3.008 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562838 716308515 /nfs/dbraw/zinc/30/85/15/716308515.db2.gz CQSHFHPLAMTGHQ-PBHICJAKSA-N 2 1 360.420 3.313 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562838 716308518 /nfs/dbraw/zinc/30/85/18/716308518.db2.gz CQSHFHPLAMTGHQ-PBHICJAKSA-N 2 1 360.420 3.313 20 0 FGADMP Fc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc(C(F)(F)F)c1 ZINC000629672369 716333506 /nfs/dbraw/zinc/33/35/06/716333506.db2.gz IRPKBYYVFDCUJJ-QGZVFWFLSA-N 2 1 360.395 3.435 20 0 FGADMP [NH3+]C1CC[NH+](CCc2cn(-c3cc(Cl)c(Cl)cc3Cl)nn2)CC1 ZINC000630605446 716482255 /nfs/dbraw/zinc/48/22/55/716482255.db2.gz ZNDCRTKZGJKQTA-UHFFFAOYSA-N 2 1 374.703 3.193 20 0 FGADMP COCCc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000631110104 716567193 /nfs/dbraw/zinc/56/71/93/716567193.db2.gz VPEKLMMDGQCUJH-SJLPKXTDSA-N 2 1 359.539 3.332 20 0 FGADMP COCCc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631110104 716567199 /nfs/dbraw/zinc/56/71/99/716567199.db2.gz VPEKLMMDGQCUJH-SJLPKXTDSA-N 2 1 359.539 3.332 20 0 FGADMP CN(Cc1ccsc1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637892598 717387150 /nfs/dbraw/zinc/38/71/50/717387150.db2.gz RIPDOUWJVUNHJF-UHFFFAOYSA-N 2 1 357.523 3.090 20 0 FGADMP CC[C@@H](C)[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136910 717411628 /nfs/dbraw/zinc/41/16/28/717411628.db2.gz PBAIYZFBOKXXTQ-NQIIRXRSSA-N 2 1 353.595 3.176 20 0 FGADMP CC[C@@H](C)[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136910 717411629 /nfs/dbraw/zinc/41/16/29/717411629.db2.gz PBAIYZFBOKXXTQ-NQIIRXRSSA-N 3 1 353.595 3.176 20 0 FGADMP CC[C@@H](C)[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136910 717411630 /nfs/dbraw/zinc/41/16/30/717411630.db2.gz PBAIYZFBOKXXTQ-NQIIRXRSSA-N 3 1 353.595 3.176 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC4CCSCC4)CC3)C2)cc1 ZINC000639163421 717526450 /nfs/dbraw/zinc/52/64/50/717526450.db2.gz XZDVYEWCPKVVHK-OAQYLSRUSA-N 2 1 359.583 3.022 20 0 FGADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCO[C@H]3C)C2)C1 ZINC000639646319 717584982 /nfs/dbraw/zinc/58/49/82/717584982.db2.gz ORPQOAAEILWMCP-ALGQRKQJSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCO[C@H]3C)C2)C1 ZINC000639646319 717584989 /nfs/dbraw/zinc/58/49/89/717584989.db2.gz ORPQOAAEILWMCP-ALGQRKQJSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCO[C@H]3C)C2)C1 ZINC000639646319 717584995 /nfs/dbraw/zinc/58/49/95/717584995.db2.gz ORPQOAAEILWMCP-ALGQRKQJSA-N 2 1 350.547 3.014 20 0 FGADMP C[C@H](c1nnc(-c2cccs2)o1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682383 717589851 /nfs/dbraw/zinc/58/98/51/717589851.db2.gz VJTDEASZTMKRGY-CQSZACIVSA-N 2 1 355.467 3.466 20 0 FGADMP C[C@H](c1nnc(-c2cccs2)o1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682383 717589855 /nfs/dbraw/zinc/58/98/55/717589855.db2.gz VJTDEASZTMKRGY-CQSZACIVSA-N 2 1 355.467 3.466 20 0 FGADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758513 717599175 /nfs/dbraw/zinc/59/91/75/717599175.db2.gz VVYNMHFYEQEUMV-DLBZAZTESA-N 2 1 361.555 3.218 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167104 717869837 /nfs/dbraw/zinc/86/98/37/717869837.db2.gz BMMXZLPLTJHWJI-KSSFIOAISA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167104 717869840 /nfs/dbraw/zinc/86/98/40/717869840.db2.gz BMMXZLPLTJHWJI-KSSFIOAISA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167104 717869845 /nfs/dbraw/zinc/86/98/45/717869845.db2.gz BMMXZLPLTJHWJI-KSSFIOAISA-N 2 1 365.884 3.382 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292555 718275834 /nfs/dbraw/zinc/27/58/34/718275834.db2.gz MJMOGHUJAOCNEA-NVXWUHKLSA-N 2 1 353.869 3.002 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646292555 718275836 /nfs/dbraw/zinc/27/58/36/718275836.db2.gz MJMOGHUJAOCNEA-NVXWUHKLSA-N 2 1 353.869 3.002 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H](c2ccccc2)C1 ZINC000647249307 718343385 /nfs/dbraw/zinc/34/33/85/718343385.db2.gz QUNCNZVBMZOALL-MJGOQNOKSA-N 2 1 356.539 3.047 20 0 FGADMP Cc1nn2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544026 718366587 /nfs/dbraw/zinc/36/65/87/718366587.db2.gz VPGSLNZGUCOHGR-HOTGVXAUSA-N 2 1 361.559 3.434 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975896 718391057 /nfs/dbraw/zinc/39/10/57/718391057.db2.gz HJDHEIDFNULEOV-RBSFLKMASA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976714 718391484 /nfs/dbraw/zinc/39/14/84/718391484.db2.gz SKBQNDROFQATJE-QLFBSQMISA-N 2 1 351.441 3.003 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978644 718391745 /nfs/dbraw/zinc/39/17/45/718391745.db2.gz WHAMQBLPHLKSSP-CVEARBPZSA-N 2 1 359.905 3.132 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723258 718720850 /nfs/dbraw/zinc/72/08/50/718720850.db2.gz KKPPDPYDFURYDN-PVAVHDDUSA-N 2 1 358.404 3.446 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723576 718721347 /nfs/dbraw/zinc/72/13/47/718721347.db2.gz QILCCFNDASMKJK-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723576 718721349 /nfs/dbraw/zinc/72/13/49/718721349.db2.gz QILCCFNDASMKJK-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP CC[N@@H+](CCCNC(=O)NCC1(C)CC[NH+](C)CC1)C1CCCCC1 ZINC000651219656 718783658 /nfs/dbraw/zinc/78/36/58/718783658.db2.gz DDCGXAIOELIPAA-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347016 718934722 /nfs/dbraw/zinc/93/47/22/718934722.db2.gz OEPSJTZWPOYKSQ-SZVBFZGTSA-N 2 1 352.906 3.327 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@H]1CC[NH3+] ZINC000652354442 718936265 /nfs/dbraw/zinc/93/62/65/718936265.db2.gz YRIMNLNEYHOFDN-CJNGLKHVSA-N 2 1 368.319 3.227 20 0 FGADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000652870828 718986544 /nfs/dbraw/zinc/98/65/44/718986544.db2.gz MJHRJXYAANAMRT-LJQANCHMSA-N 2 1 359.539 3.440 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653119730 719014102 /nfs/dbraw/zinc/01/41/02/719014102.db2.gz UNVJCYZZALNTBR-IEBWSBKVSA-N 2 1 363.933 3.200 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653119730 719014103 /nfs/dbraw/zinc/01/41/03/719014103.db2.gz UNVJCYZZALNTBR-IEBWSBKVSA-N 2 1 363.933 3.200 20 0 FGADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606437 719064297 /nfs/dbraw/zinc/06/42/97/719064297.db2.gz KLERSVVPBYDLDS-MOPGFXCFSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000653606437 719064313 /nfs/dbraw/zinc/06/43/13/719064313.db2.gz KLERSVVPBYDLDS-MOPGFXCFSA-N 2 1 354.922 3.100 20 0 FGADMP C[NH+](C)[C@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717919 719329295 /nfs/dbraw/zinc/32/92/95/719329295.db2.gz GANHAXIYXGDQQH-VQTJNVASSA-N 2 1 365.949 3.176 20 0 FGADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719739 719329333 /nfs/dbraw/zinc/32/93/33/719329333.db2.gz LHBZOWIVUNNUMZ-RBUKOAKNSA-N 2 1 352.906 3.261 20 0 FGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1cccc(F)c1 ZINC000655721312 719329858 /nfs/dbraw/zinc/32/98/58/719329858.db2.gz MXEAQQNHTIKNGN-QUCCMNQESA-N 2 1 350.478 3.216 20 0 FGADMP FC(F)Oc1ccccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655759738 719335845 /nfs/dbraw/zinc/33/58/45/719335845.db2.gz GOQCWHRYYUOFJA-KRWDZBQOSA-N 2 1 354.441 3.064 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)ccc2Cl)c2c1CC[NH2+]C2 ZINC001164685662 719616862 /nfs/dbraw/zinc/61/68/62/719616862.db2.gz VJWAIXBTKZEZMK-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)ccc2Cl)c2c1CC[NH2+]C2 ZINC001164685662 719616863 /nfs/dbraw/zinc/61/68/63/719616863.db2.gz VJWAIXBTKZEZMK-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2ccc3cc(F)ccc3n2)c2c1CC[NH2+]C2 ZINC001164681522 719617584 /nfs/dbraw/zinc/61/75/84/719617584.db2.gz HBCLKHRBTJLOEQ-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc3cc(F)ccc3n2)c2c1CC[NH2+]C2 ZINC001164681522 719617591 /nfs/dbraw/zinc/61/75/91/719617591.db2.gz HBCLKHRBTJLOEQ-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651895 720090634 /nfs/dbraw/zinc/09/06/34/720090634.db2.gz DQRBMGRXUOJICQ-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651895 720090639 /nfs/dbraw/zinc/09/06/39/720090639.db2.gz DQRBMGRXUOJICQ-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651895 720090646 /nfs/dbraw/zinc/09/06/46/720090646.db2.gz DQRBMGRXUOJICQ-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651895 720090651 /nfs/dbraw/zinc/09/06/51/720090651.db2.gz DQRBMGRXUOJICQ-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(Br)cc1)C2 ZINC000660652822 720090847 /nfs/dbraw/zinc/09/08/47/720090847.db2.gz MQISAQLFPMKBLJ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc(Br)cc1)C2 ZINC000660652822 720090855 /nfs/dbraw/zinc/09/08/55/720090855.db2.gz MQISAQLFPMKBLJ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652822 720090858 /nfs/dbraw/zinc/09/08/58/720090858.db2.gz MQISAQLFPMKBLJ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc(Br)cc1)C2 ZINC000660652822 720090865 /nfs/dbraw/zinc/09/08/65/720090865.db2.gz MQISAQLFPMKBLJ-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659112 720093557 /nfs/dbraw/zinc/09/35/57/720093557.db2.gz NGZKRNAZLLRTMN-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659112 720093561 /nfs/dbraw/zinc/09/35/61/720093561.db2.gz NGZKRNAZLLRTMN-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659112 720093566 /nfs/dbraw/zinc/09/35/66/720093566.db2.gz NGZKRNAZLLRTMN-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659112 720093570 /nfs/dbraw/zinc/09/35/70/720093570.db2.gz NGZKRNAZLLRTMN-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP Fc1cc(Br)cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281060 720409396 /nfs/dbraw/zinc/40/93/96/720409396.db2.gz SHCIFIKUKHNRPE-CVEARBPZSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc(Br)cc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281060 720409398 /nfs/dbraw/zinc/40/93/98/720409398.db2.gz SHCIFIKUKHNRPE-CVEARBPZSA-N 2 1 369.278 3.246 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294213 720411161 /nfs/dbraw/zinc/41/11/61/720411161.db2.gz CBBSOAQLHJLIQN-MAUKXSAKSA-N 2 1 363.933 3.229 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483624 720433581 /nfs/dbraw/zinc/43/35/81/720433581.db2.gz XGNSIXSRMRPHFU-WBMJQRKESA-N 2 1 358.313 3.054 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483624 720433582 /nfs/dbraw/zinc/43/35/82/720433582.db2.gz XGNSIXSRMRPHFU-WBMJQRKESA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](CC(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662524563 720437993 /nfs/dbraw/zinc/43/79/93/720437993.db2.gz LSWIBSPKANWRKQ-QGZVFWFLSA-N 2 1 372.340 3.491 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)c1ccsc1 ZINC000662679143 720451977 /nfs/dbraw/zinc/45/19/77/720451977.db2.gz MDVBPKVVQBUODA-SJORKVTESA-N 2 1 367.465 3.225 20 0 FGADMP C[C@](O)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368265 720506380 /nfs/dbraw/zinc/50/63/80/720506380.db2.gz CFJSLHOCCHPZSP-SJORKVTESA-N 2 1 356.432 3.192 20 0 FGADMP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841213 720509256 /nfs/dbraw/zinc/50/92/56/720509256.db2.gz XYCOINLIELVVEQ-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455803 720517160 /nfs/dbraw/zinc/51/71/60/720517160.db2.gz URALFDJEQXPGFM-RHSMWYFYSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000663455803 720517163 /nfs/dbraw/zinc/51/71/63/720517163.db2.gz URALFDJEQXPGFM-RHSMWYFYSA-N 2 1 366.937 3.115 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164834241 720532196 /nfs/dbraw/zinc/53/21/96/720532196.db2.gz CZYTXLAYDMPJQU-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164834241 720532201 /nfs/dbraw/zinc/53/22/01/720532201.db2.gz CZYTXLAYDMPJQU-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP COCCC[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000665278264 720749584 /nfs/dbraw/zinc/74/95/84/720749584.db2.gz ZOBQHYNLOLKQKE-BLDCVEFLSA-N 2 1 353.304 3.258 20 0 FGADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666857685 720991638 /nfs/dbraw/zinc/99/16/38/720991638.db2.gz FCBLJOSCGBKFIP-QGZVFWFLSA-N 2 1 352.404 3.182 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1cccs1 ZINC000667727796 721165045 /nfs/dbraw/zinc/16/50/45/721165045.db2.gz JVKJDMVICURSEZ-CRAIPNDOSA-N 2 1 358.511 3.411 20 0 FGADMP C[C@H]([NH2+][C@@H](C)c1ccsc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000669937690 721503245 /nfs/dbraw/zinc/50/32/45/721503245.db2.gz OZWNBNXBILAZPZ-BXWFABGCSA-N 2 1 357.523 3.178 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903476 721538880 /nfs/dbraw/zinc/53/88/80/721538880.db2.gz CZPCDXRIFPIEJE-AEFFLSMTSA-N 2 1 366.440 3.352 20 0 FGADMP Cc1c[nH+]c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)cc1N ZINC001164910699 721760285 /nfs/dbraw/zinc/76/02/85/721760285.db2.gz QGKKGBOVAVHEHH-UHFFFAOYSA-N 2 1 363.465 3.155 20 0 FGADMP Cc1c[nH+]c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)cc1N ZINC001164910699 721760286 /nfs/dbraw/zinc/76/02/86/721760286.db2.gz QGKKGBOVAVHEHH-UHFFFAOYSA-N 2 1 363.465 3.155 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)cc(C)[nH+]1 ZINC001165019729 721824740 /nfs/dbraw/zinc/82/47/40/721824740.db2.gz BIOOBQHCFJFNAP-IHPCNDPISA-N 2 1 365.525 3.479 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(C)[nH+]1 ZINC001165019729 721824741 /nfs/dbraw/zinc/82/47/41/721824741.db2.gz BIOOBQHCFJFNAP-IHPCNDPISA-N 2 1 365.525 3.479 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799993 722409915 /nfs/dbraw/zinc/40/99/15/722409915.db2.gz NVPSAQQPLOPGMH-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)c2Br)CC1 ZINC000719405370 722418734 /nfs/dbraw/zinc/41/87/34/722418734.db2.gz KWZSHWPWNIAKSJ-UHFFFAOYSA-N 2 1 361.711 3.432 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000725893607 722425724 /nfs/dbraw/zinc/42/57/24/722425724.db2.gz PRKHPUPVUZAGNF-UHFFFAOYSA-N 2 1 360.527 3.062 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC([NH+]3CCCCC3)CC2)C1 ZINC000741156949 722543098 /nfs/dbraw/zinc/54/30/98/722543098.db2.gz ATEJBQIFMRSABO-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000762249196 723228691 /nfs/dbraw/zinc/22/86/91/723228691.db2.gz AVUGDWFVQRFZBM-AZUAARDMSA-N 2 1 363.933 3.468 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1c1ccc(Cl)cc1 ZINC000762249196 723228694 /nfs/dbraw/zinc/22/86/94/723228694.db2.gz AVUGDWFVQRFZBM-AZUAARDMSA-N 2 1 363.933 3.468 20 0 FGADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnc(Cl)c1 ZINC000765680230 723532423 /nfs/dbraw/zinc/53/24/23/723532423.db2.gz AYKAHCKVSNGDPX-VQIMIIECSA-N 2 1 358.917 3.374 20 0 FGADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(C3CCCCC3)cs2)C1 ZINC000766708847 723588257 /nfs/dbraw/zinc/58/82/57/723588257.db2.gz IHWAWFJZJBCGOR-MRXNPFEDSA-N 2 1 366.531 3.298 20 0 FGADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2nc(C3CCCCC3)cs2)C1 ZINC000766708847 723588259 /nfs/dbraw/zinc/58/82/59/723588259.db2.gz IHWAWFJZJBCGOR-MRXNPFEDSA-N 2 1 366.531 3.298 20 0 FGADMP CC(C)[NH2+][C@H]1CCC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769233304 723680195 /nfs/dbraw/zinc/68/01/95/723680195.db2.gz QRHJNRQLUBLAPQ-SFHVURJKSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000769233304 723680196 /nfs/dbraw/zinc/68/01/96/723680196.db2.gz QRHJNRQLUBLAPQ-SFHVURJKSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000771370415 723733708 /nfs/dbraw/zinc/73/37/08/723733708.db2.gz LCHBCXFXEKYHFN-ZBFHGGJFSA-N 2 1 364.946 3.436 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000775015487 723952266 /nfs/dbraw/zinc/95/22/66/723952266.db2.gz GKUGGNDXVTVLRY-OAHLLOKOSA-N 2 1 355.320 3.348 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801949001 724349417 /nfs/dbraw/zinc/34/94/17/724349417.db2.gz AKGYXAIKAKBUMM-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000788243143 725052455 /nfs/dbraw/zinc/05/24/55/725052455.db2.gz IYDVWTBEDWEQCU-RYQLBKOJSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000809717360 725262083 /nfs/dbraw/zinc/26/20/83/725262083.db2.gz GPIVIHPJELJDSK-DFBDCSAJSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810146490 725292822 /nfs/dbraw/zinc/29/28/22/725292822.db2.gz RMWZFAAIGRZENH-QKLQHJQFSA-N 2 1 355.542 3.073 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810146490 725292825 /nfs/dbraw/zinc/29/28/25/725292825.db2.gz RMWZFAAIGRZENH-QKLQHJQFSA-N 2 1 355.542 3.073 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810146490 725292827 /nfs/dbraw/zinc/29/28/27/725292827.db2.gz RMWZFAAIGRZENH-QKLQHJQFSA-N 2 1 355.542 3.073 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810146489 725292860 /nfs/dbraw/zinc/29/28/60/725292860.db2.gz RMWZFAAIGRZENH-MBOZVWFJSA-N 2 1 355.542 3.073 20 0 FGADMP CC(C)[NH+]1CCC([N@H+]2C[C@@H](C)[C@](C)(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000810246297 725299502 /nfs/dbraw/zinc/29/95/02/725299502.db2.gz MPCDZWCMZXWWGN-OXQOHEQNSA-N 2 1 353.551 3.342 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810417072 725306888 /nfs/dbraw/zinc/30/68/88/725306888.db2.gz DLHZBOROVYNDAL-HXUWFJFHSA-N 2 1 355.542 3.169 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810417072 725306891 /nfs/dbraw/zinc/30/68/91/725306891.db2.gz DLHZBOROVYNDAL-HXUWFJFHSA-N 2 1 355.542 3.169 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810417072 725306892 /nfs/dbraw/zinc/30/68/92/725306892.db2.gz DLHZBOROVYNDAL-HXUWFJFHSA-N 2 1 355.542 3.169 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccco1 ZINC000811525722 725372619 /nfs/dbraw/zinc/37/26/19/725372619.db2.gz XXCYLRUMLVROAB-YZVOILCLSA-N 2 1 353.482 3.038 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnn(C)c3Cl)CC2)cs1 ZINC000815124423 727041616 /nfs/dbraw/zinc/04/16/16/727041616.db2.gz XPDRKMABPSCGRE-UHFFFAOYSA-N 2 1 367.950 3.094 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642616 727183874 /nfs/dbraw/zinc/18/38/74/727183874.db2.gz FPVOFNCMXVXULW-HXUWFJFHSA-N 2 1 353.551 3.440 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642616 727183876 /nfs/dbraw/zinc/18/38/76/727183876.db2.gz FPVOFNCMXVXULW-HXUWFJFHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642616 727183878 /nfs/dbraw/zinc/18/38/78/727183878.db2.gz FPVOFNCMXVXULW-HXUWFJFHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)C2)C1 ZINC000816642616 727183880 /nfs/dbraw/zinc/18/38/80/727183880.db2.gz FPVOFNCMXVXULW-HXUWFJFHSA-N 2 1 353.551 3.440 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000818969402 727332351 /nfs/dbraw/zinc/33/23/51/727332351.db2.gz PBEMZJOYSQPUTB-MRXNPFEDSA-N 2 1 373.310 3.474 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823671760 729297627 /nfs/dbraw/zinc/29/76/27/729297627.db2.gz VJQHFTUNFUYYJT-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1F ZINC000824136523 729320886 /nfs/dbraw/zinc/32/08/86/729320886.db2.gz WTMHHLOAWIAJOK-KRWDZBQOSA-N 2 1 363.864 3.121 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1F ZINC000824136523 729320888 /nfs/dbraw/zinc/32/08/88/729320888.db2.gz WTMHHLOAWIAJOK-KRWDZBQOSA-N 2 1 363.864 3.121 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000824292938 729328969 /nfs/dbraw/zinc/32/89/69/729328969.db2.gz WOLVWIVIEINHRA-KURKYZTESA-N 2 1 353.551 3.438 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000825342507 729379517 /nfs/dbraw/zinc/37/95/17/729379517.db2.gz DGCXEORNDXQBQB-MRXNPFEDSA-N 2 1 355.320 3.335 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832645071 729724787 /nfs/dbraw/zinc/72/47/87/729724787.db2.gz GPGNZYFQWYHBAS-GOEBONIOSA-N 2 1 350.507 3.205 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000834908403 729845535 /nfs/dbraw/zinc/84/55/35/729845535.db2.gz JQRFQKHVWDIKMC-MRXNPFEDSA-N 2 1 353.551 3.486 20 0 FGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810344 730177610 /nfs/dbraw/zinc/17/76/10/730177610.db2.gz RWAWHJQBEIXLAU-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1cc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnc1Cl ZINC000841103412 730211799 /nfs/dbraw/zinc/21/17/99/730211799.db2.gz HRQZZQBWPZXAPP-UHFFFAOYSA-N 2 1 358.917 3.127 20 0 FGADMP C[N@@H+](CCCCCCC[NH3+])CC(=O)Nc1ccccc1Br ZINC000842471614 730506701 /nfs/dbraw/zinc/50/67/01/730506701.db2.gz MNRPRSOHQFKIAC-UHFFFAOYSA-N 2 1 356.308 3.229 20 0 FGADMP [NH3+]CCCCCCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000842472068 730506718 /nfs/dbraw/zinc/50/67/18/730506718.db2.gz OYYUVPUTFDAMHV-UHFFFAOYSA-N 2 1 351.922 3.397 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(SC(F)F)cc1 ZINC000843386829 730612718 /nfs/dbraw/zinc/61/27/18/730612718.db2.gz MHNJVDSDAHEXGK-AWEZNQCLSA-N 2 1 369.481 3.261 20 0 FGADMP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2cc1Cl ZINC000843386717 730612768 /nfs/dbraw/zinc/61/27/68/730612768.db2.gz LXPVLNQMDKMHKM-GASCZTMLSA-N 2 1 360.885 3.440 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398030 730614523 /nfs/dbraw/zinc/61/45/23/730614523.db2.gz RWMWMVAUXHXNBE-BFYDXBDKSA-N 2 1 350.507 3.063 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@]3(C)C[C@@]3(F)Cl)CC2)CC1 ZINC000848241277 731148427 /nfs/dbraw/zinc/14/84/27/731148427.db2.gz LULJBFGLKAKPSH-MOPGFXCFSA-N 2 1 373.944 3.004 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852008082 731531921 /nfs/dbraw/zinc/53/19/21/731531921.db2.gz SPWWGUQMBKMPOB-UHFFFAOYSA-N 2 1 368.319 3.161 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000852008082 731531925 /nfs/dbraw/zinc/53/19/25/731531925.db2.gz SPWWGUQMBKMPOB-UHFFFAOYSA-N 2 1 368.319 3.161 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@@H]3COC(C)(C)O3)C2)s1 ZINC000852023831 731535045 /nfs/dbraw/zinc/53/50/45/731535045.db2.gz YKBNKRGVZZVLFL-IAGOWNOFSA-N 2 1 352.544 3.352 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@@H]3COC(C)(C)O3)C2)s1 ZINC000852023831 731535048 /nfs/dbraw/zinc/53/50/48/731535048.db2.gz YKBNKRGVZZVLFL-IAGOWNOFSA-N 2 1 352.544 3.352 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000859133435 732281476 /nfs/dbraw/zinc/28/14/76/732281476.db2.gz HATPYQKVTZJHJY-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000859133435 732281480 /nfs/dbraw/zinc/28/14/80/732281480.db2.gz HATPYQKVTZJHJY-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000859133435 732281483 /nfs/dbraw/zinc/28/14/83/732281483.db2.gz HATPYQKVTZJHJY-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862366686 732817385 /nfs/dbraw/zinc/81/73/85/732817385.db2.gz VQZZVRXUZYQYKR-WCXIOVBPSA-N 2 1 353.551 3.483 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475263 733209195 /nfs/dbraw/zinc/20/91/95/733209195.db2.gz JDCOUVPBAMBISJ-CRAIPNDOSA-N 2 1 355.511 3.203 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475263 733209198 /nfs/dbraw/zinc/20/91/98/733209198.db2.gz JDCOUVPBAMBISJ-CRAIPNDOSA-N 2 1 355.511 3.203 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)n1 ZINC000872151786 735596495 /nfs/dbraw/zinc/59/64/95/735596495.db2.gz MWKTUDISOPQZPQ-NVXWUHKLSA-N 2 1 352.404 3.058 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C(F)(F)F)C3)cc2)n1 ZINC000872151786 735596496 /nfs/dbraw/zinc/59/64/96/735596496.db2.gz MWKTUDISOPQZPQ-NVXWUHKLSA-N 2 1 352.404 3.058 20 0 FGADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156056 735597069 /nfs/dbraw/zinc/59/70/69/735597069.db2.gz DGIIWAFZVYYKQP-FUHWJXTLSA-N 2 1 358.592 3.209 20 0 FGADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(C(F)F)n(C)c1=S ZINC000872743407 735670228 /nfs/dbraw/zinc/67/02/28/735670228.db2.gz BQZMSTFUTHPIGF-UHFFFAOYSA-N 2 1 361.506 3.146 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(C(F)F)n(C)c1=S ZINC000872743407 735670231 /nfs/dbraw/zinc/67/02/31/735670231.db2.gz BQZMSTFUTHPIGF-UHFFFAOYSA-N 2 1 361.506 3.146 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)CC(F)(F)F ZINC000873208622 735737954 /nfs/dbraw/zinc/73/79/54/735737954.db2.gz YNHYKCGILNTOAZ-CYBMUJFWSA-N 2 1 361.477 3.100 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000876661841 736128463 /nfs/dbraw/zinc/12/84/63/736128463.db2.gz HWANFFDXSJDZHD-KRWDZBQOSA-N 2 1 353.551 3.486 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000876898064 736160054 /nfs/dbraw/zinc/16/00/54/736160054.db2.gz ZAIFLURXDJYVFL-GKVSMKOHSA-N 2 1 368.458 3.331 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878006637 736756045 /nfs/dbraw/zinc/75/60/45/736756045.db2.gz VGAAGUSIIXXOKJ-LBPRGKRZSA-N 2 1 358.313 3.197 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878006637 736756048 /nfs/dbraw/zinc/75/60/48/736756048.db2.gz VGAAGUSIIXXOKJ-LBPRGKRZSA-N 2 1 358.313 3.197 20 0 FGADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Br)c1 ZINC000879663522 737027027 /nfs/dbraw/zinc/02/70/27/737027027.db2.gz JVKCWWLLOMFEMK-INIZCTEOSA-N 2 1 352.276 3.093 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)nc1C ZINC000880324469 737156705 /nfs/dbraw/zinc/15/67/05/737156705.db2.gz HWMPCFSCTBDOPG-HNNXBMFYSA-N 2 1 362.499 3.013 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)nc1C ZINC000880324469 737156708 /nfs/dbraw/zinc/15/67/08/737156708.db2.gz HWMPCFSCTBDOPG-HNNXBMFYSA-N 2 1 362.499 3.013 20 0 FGADMP C[C@@H](C(=O)Nc1cccnc1Cl)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517611 737183623 /nfs/dbraw/zinc/18/36/23/737183623.db2.gz USYISAADQQKVFH-HNNXBMFYSA-N 2 1 352.910 3.260 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)cc1 ZINC000884039261 737627236 /nfs/dbraw/zinc/62/72/36/737627236.db2.gz JCLOVGNFQOPFOX-MEDUHNTESA-N 2 1 351.372 3.041 20 0 FGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3)CC2)[nH+]c1C ZINC000886670403 739280655 /nfs/dbraw/zinc/28/06/55/739280655.db2.gz OHHLSEOSWXOOCL-QGZVFWFLSA-N 2 1 363.889 3.299 20 0 FGADMP OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886813886 739305511 /nfs/dbraw/zinc/30/55/11/739305511.db2.gz WZJYUXLZQSIKKU-SFHVURJKSA-N 2 1 356.432 3.419 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000892516871 740011204 /nfs/dbraw/zinc/01/12/04/740011204.db2.gz QBKPOVNMTUJXFN-KFWWJZLASA-N 2 1 352.441 3.217 20 0 FGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000893086306 742107986 /nfs/dbraw/zinc/10/79/86/742107986.db2.gz ODILRGYLLPHIMC-GOOCMWNKSA-N 2 1 356.436 3.271 20 0 FGADMP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000893086306 742107989 /nfs/dbraw/zinc/10/79/89/742107989.db2.gz ODILRGYLLPHIMC-GOOCMWNKSA-N 2 1 356.436 3.271 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000894190113 742250613 /nfs/dbraw/zinc/25/06/13/742250613.db2.gz JEIZSWOEGDWNMS-CSNJMZFVSA-N 2 1 351.535 3.096 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000894188476 742250841 /nfs/dbraw/zinc/25/08/41/742250841.db2.gz ZBJLDUHTINISDD-LSDHHAIUSA-N 2 1 356.388 3.208 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C(F)(F)F)c1 ZINC000894188476 742250842 /nfs/dbraw/zinc/25/08/42/742250842.db2.gz ZBJLDUHTINISDD-LSDHHAIUSA-N 2 1 356.388 3.208 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000895990700 742477907 /nfs/dbraw/zinc/47/79/07/742477907.db2.gz KYPVHTHWOVJVLY-SFHVURJKSA-N 2 1 361.555 3.355 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000895990700 742477911 /nfs/dbraw/zinc/47/79/11/742477911.db2.gz KYPVHTHWOVJVLY-SFHVURJKSA-N 2 1 361.555 3.355 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900435708 743112510 /nfs/dbraw/zinc/11/25/10/743112510.db2.gz CTIGOYITTXOXNL-MJGOQNOKSA-N 2 1 359.539 3.191 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900435708 743112515 /nfs/dbraw/zinc/11/25/15/743112515.db2.gz CTIGOYITTXOXNL-MJGOQNOKSA-N 2 1 359.539 3.191 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900439904 743113695 /nfs/dbraw/zinc/11/36/95/743113695.db2.gz PSLUBETUXJUWTH-JENIJYKNSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900439904 743113700 /nfs/dbraw/zinc/11/37/00/743113700.db2.gz PSLUBETUXJUWTH-JENIJYKNSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900439904 743113704 /nfs/dbraw/zinc/11/37/04/743113704.db2.gz PSLUBETUXJUWTH-JENIJYKNSA-N 2 1 361.555 3.093 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(C(F)(F)F)cn1 ZINC000902794458 743776313 /nfs/dbraw/zinc/77/63/13/743776313.db2.gz WAKYMRCHNRNZII-CQSZACIVSA-N 2 1 358.452 3.025 20 0 FGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](C3CCOCC3)C2)CC1 ZINC000902801391 743776692 /nfs/dbraw/zinc/77/66/92/743776692.db2.gz ADXBOBIPVYFKSC-NRSPTQNISA-N 2 1 350.547 3.205 20 0 FGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902801392 743776828 /nfs/dbraw/zinc/77/68/28/743776828.db2.gz ADXBOBIPVYFKSC-TYPHKJRUSA-N 2 1 350.547 3.205 20 0 FGADMP CC(C)CCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cs1 ZINC000903508664 743857341 /nfs/dbraw/zinc/85/73/41/743857341.db2.gz PRJFAQIVOPDLJQ-KDURUIRLSA-N 2 1 362.587 3.132 20 0 FGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@H]4C[C@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732991 743880138 /nfs/dbraw/zinc/88/01/38/743880138.db2.gz ITOOILFZGOODFU-QINHECLXSA-N 2 1 357.523 3.244 20 0 FGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Br ZINC000903765135 743881481 /nfs/dbraw/zinc/88/14/81/743881481.db2.gz YPVWKDFUVIROFO-XIRDDKMYSA-N 2 1 367.331 3.476 20 0 FGADMP C[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000903921576 743897930 /nfs/dbraw/zinc/89/79/30/743897930.db2.gz PMWBILURYFNGMW-RYUDHWBXSA-N 2 1 354.285 3.360 20 0 FGADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955742 743904845 /nfs/dbraw/zinc/90/48/45/743904845.db2.gz AWTDCFNISWDLFF-AWEZNQCLSA-N 2 1 368.859 3.477 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000904639707 743965728 /nfs/dbraw/zinc/96/57/28/743965728.db2.gz LBVXBLLQJGTLSD-MSOLQXFVSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccccc2C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000904639707 743965729 /nfs/dbraw/zinc/96/57/29/743965729.db2.gz LBVXBLLQJGTLSD-MSOLQXFVSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)[C@@H]1c1cccs1 ZINC000905132241 743995164 /nfs/dbraw/zinc/99/51/64/743995164.db2.gz KZIHFQFKULBPJB-ZHALLVOQSA-N 2 1 366.571 3.024 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)[C@@H]1c1cccs1 ZINC000905132241 743995166 /nfs/dbraw/zinc/99/51/66/743995166.db2.gz KZIHFQFKULBPJB-ZHALLVOQSA-N 2 1 366.571 3.024 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C(F)(F)F ZINC000905135131 743995591 /nfs/dbraw/zinc/99/55/91/743995591.db2.gz VJMQSXMIBFGMRG-QEJZJMRPSA-N 2 1 350.450 3.424 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C(F)(F)F ZINC000905135131 743995594 /nfs/dbraw/zinc/99/55/94/743995594.db2.gz VJMQSXMIBFGMRG-QEJZJMRPSA-N 2 1 350.450 3.424 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709559 744045691 /nfs/dbraw/zinc/04/56/91/744045691.db2.gz NRUPJOQBXSDELW-OWSLCNJRSA-N 2 1 356.432 3.190 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)c(F)c1)C2 ZINC000922387725 758909487 /nfs/dbraw/zinc/90/94/87/758909487.db2.gz AKEFHBFQDJDJNI-PNCFCEPOSA-N 2 1 350.453 3.047 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391544 758911528 /nfs/dbraw/zinc/91/15/28/758911528.db2.gz WMVHFCCXJYGNJQ-YWTNHNAXSA-N 2 1 363.889 3.051 20 0 FGADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@H]1C(C)C ZINC000922392791 758912500 /nfs/dbraw/zinc/91/25/00/758912500.db2.gz OASSBASLNBMIRV-VIPLHTEESA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@H]1C(C)C ZINC000922392791 758912505 /nfs/dbraw/zinc/91/25/05/758912505.db2.gz OASSBASLNBMIRV-VIPLHTEESA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@@H]1C(C)C ZINC000922395583 758913849 /nfs/dbraw/zinc/91/38/49/758913849.db2.gz UASPZCAGIAUSMY-VXIBKDFQSA-N 2 1 351.922 3.003 20 0 FGADMP CCN(C(C)=O)c1nc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cs1 ZINC000922508830 758940005 /nfs/dbraw/zinc/94/00/05/758940005.db2.gz BEAWVEVAEBHMNA-UHFFFAOYSA-N 2 1 364.559 3.403 20 0 FGADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000923373552 759107092 /nfs/dbraw/zinc/10/70/92/759107092.db2.gz ORDZDXAIUFQMKC-WTXIUTQJSA-N 2 1 356.436 3.460 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488336 759129634 /nfs/dbraw/zinc/12/96/34/759129634.db2.gz RZYWAAGPKFLYHP-NWDGAFQWSA-N 2 1 354.376 3.487 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488558 759130713 /nfs/dbraw/zinc/13/07/13/759130713.db2.gz CEXJQFOSJHDXQY-DYVFJYSZSA-N 2 1 370.324 3.328 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c(OC)c1 ZINC000923501989 759133585 /nfs/dbraw/zinc/13/35/85/759133585.db2.gz VDDTWMRACXXBFG-UONOGXRCSA-N 2 1 361.511 3.244 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C3CC4(C3)COC(C)(C)C4)CCCC2)CC1 ZINC000925001944 759430504 /nfs/dbraw/zinc/43/05/04/759430504.db2.gz ZYHKDUQFZDYMJE-UHFFFAOYSA-N 2 1 350.547 3.347 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3c(Cl)ccnc32)ccn1 ZINC000925656380 759518738 /nfs/dbraw/zinc/51/87/38/759518738.db2.gz ZUJNZWUUMCSWLH-KRWDZBQOSA-N 2 1 360.889 3.238 20 0 FGADMP CC1(C)[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925662481 759519882 /nfs/dbraw/zinc/51/98/82/759519882.db2.gz IWPRTNXGXMMZLN-JWRYVHENSA-N 2 1 359.480 3.158 20 0 FGADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925775315 759533905 /nfs/dbraw/zinc/53/39/05/759533905.db2.gz FPVOOXPQXBZUQE-RNCFNFMXSA-N 2 1 363.221 3.410 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)c(Br)c1 ZINC000925777468 759535654 /nfs/dbraw/zinc/53/56/54/759535654.db2.gz DXAVESJUHQZVIU-MWLCHTKSSA-N 2 1 351.210 3.484 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cnn1-c1ccc(F)cc1 ZINC000925781972 759538204 /nfs/dbraw/zinc/53/82/04/759538204.db2.gz JPWNYVAUOAZHMC-TZMCWYRMSA-N 2 1 352.404 3.215 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCCC[NH+]2CCNCC2)ccc1SC ZINC000925844422 759556319 /nfs/dbraw/zinc/55/63/19/759556319.db2.gz KNXVSMPSXLYUDO-MRXNPFEDSA-N 2 1 351.560 3.143 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000927039627 759881403 /nfs/dbraw/zinc/88/14/03/759881403.db2.gz QKQMBACMSBJNRR-AYHJJNSGSA-N 2 1 370.603 3.363 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000927124890 759899266 /nfs/dbraw/zinc/89/92/66/759899266.db2.gz RFGYISHGIVZNQC-MDMSPXHWSA-N 2 1 351.535 3.142 20 0 FGADMP C[NH+]1C[C@@]2(C)C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C[C@]2(C)C1 ZINC000931309625 760824731 /nfs/dbraw/zinc/82/47/31/760824731.db2.gz FBNPAJZXGCONRI-OALUTQOASA-N 2 1 360.889 3.206 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000960639412 762736776 /nfs/dbraw/zinc/73/67/76/762736776.db2.gz BOLTVOKBAHLMRC-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000960639412 762736777 /nfs/dbraw/zinc/73/67/77/762736777.db2.gz BOLTVOKBAHLMRC-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000960639412 762736779 /nfs/dbraw/zinc/73/67/79/762736779.db2.gz BOLTVOKBAHLMRC-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2(C)C)c(C)s1 ZINC000995835361 764971360 /nfs/dbraw/zinc/97/13/60/764971360.db2.gz WTUNRUJUBWBZLF-OLMNPRSZSA-N 2 1 363.571 3.032 20 0 FGADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ccc(Cl)cc1 ZINC000996601210 765019677 /nfs/dbraw/zinc/01/96/77/765019677.db2.gz AGQBKRUTMXKXKN-SPYBWZPUSA-N 2 1 363.933 3.322 20 0 FGADMP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000997098604 765045180 /nfs/dbraw/zinc/04/51/80/765045180.db2.gz SVTXAKOEBDEHFF-GPMSIDNRSA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000998795072 765125613 /nfs/dbraw/zinc/12/56/13/765125613.db2.gz WMVVSVWLNXXZKU-WZOJCFFYSA-N 2 1 363.571 3.174 20 0 FGADMP C[C@@H](c1cccc(Cl)c1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002852365 765348067 /nfs/dbraw/zinc/34/80/67/765348067.db2.gz OJEMDZBNJVUZEZ-QMTMVMCOSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3Cl)C2)CC[N@@H+]1C ZINC001014507094 765786988 /nfs/dbraw/zinc/78/69/88/765786988.db2.gz JHIKALBZSNHVJG-ZIFCJYIRSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001014507094 765786994 /nfs/dbraw/zinc/78/69/94/765786994.db2.gz JHIKALBZSNHVJG-ZIFCJYIRSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3Cl)C2)CC[NH+]1C ZINC001014507094 765786998 /nfs/dbraw/zinc/78/69/98/765786998.db2.gz JHIKALBZSNHVJG-ZIFCJYIRSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3Cl)C2)CC[NH+]1C ZINC001014507094 765787004 /nfs/dbraw/zinc/78/70/04/765787004.db2.gz JHIKALBZSNHVJG-ZIFCJYIRSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001023993771 766047371 /nfs/dbraw/zinc/04/73/71/766047371.db2.gz PHGPYYZSIXTNFE-SOLBZPMBSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001028551407 766124664 /nfs/dbraw/zinc/12/46/64/766124664.db2.gz OLSYTGZOQZKNCL-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001028551407 766124670 /nfs/dbraw/zinc/12/46/70/766124670.db2.gz OLSYTGZOQZKNCL-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001028551407 766124673 /nfs/dbraw/zinc/12/46/73/766124673.db2.gz OLSYTGZOQZKNCL-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001031684334 766183705 /nfs/dbraw/zinc/18/37/05/766183705.db2.gz LDIIRCADEDDWHR-UCLAIMLFSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001031684334 766183709 /nfs/dbraw/zinc/18/37/09/766183709.db2.gz LDIIRCADEDDWHR-UCLAIMLFSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001033098068 766207213 /nfs/dbraw/zinc/20/72/13/766207213.db2.gz BJGMUYNDLOUTRQ-CEXWTWQISA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001033098068 766207218 /nfs/dbraw/zinc/20/72/18/766207218.db2.gz BJGMUYNDLOUTRQ-CEXWTWQISA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001033098068 766207223 /nfs/dbraw/zinc/20/72/23/766207223.db2.gz BJGMUYNDLOUTRQ-CEXWTWQISA-N 2 1 363.571 3.128 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001034215213 766232898 /nfs/dbraw/zinc/23/28/98/766232898.db2.gz XIFLDHQHNKTGOD-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001034215213 766232901 /nfs/dbraw/zinc/23/29/01/766232901.db2.gz XIFLDHQHNKTGOD-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001034215213 766232906 /nfs/dbraw/zinc/23/29/06/766232906.db2.gz XIFLDHQHNKTGOD-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000063784457 205294550 /nfs/dbraw/zinc/29/45/50/205294550.db2.gz JCGPISICZSPEQD-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000056154635 257349109 /nfs/dbraw/zinc/34/91/09/257349109.db2.gz OASFBQNQCQYBRG-UWJYYQICSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](C(N)=O)c2ccccc2)cc1 ZINC000056154635 257349112 /nfs/dbraw/zinc/34/91/12/257349112.db2.gz OASFBQNQCQYBRG-UWJYYQICSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555318 257380276 /nfs/dbraw/zinc/38/02/76/257380276.db2.gz FLQSRXSSCODFFR-YYWHXJBOSA-N 2 1 351.494 3.103 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@@H]21 ZINC000573608392 505577822 /nfs/dbraw/zinc/57/78/22/505577822.db2.gz OUDVVAHTTGPXKA-HYVNUMGLSA-N 2 1 364.415 3.450 20 0 FGADMP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788474 505620926 /nfs/dbraw/zinc/62/09/26/505620926.db2.gz XAWJLMKKLGAGHI-OWZKRDHZSA-N 2 1 364.493 3.195 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)c(C(C)=O)c1 ZINC000571057525 505643589 /nfs/dbraw/zinc/64/35/89/505643589.db2.gz WSFIMMHIEUKWNJ-LJQANCHMSA-N 2 1 374.529 3.077 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000579935323 505649079 /nfs/dbraw/zinc/64/90/79/505649079.db2.gz CSJZSZOBEYQLSQ-IIBYNOLFSA-N 2 1 367.497 3.027 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1(F)F ZINC000577063281 505656064 /nfs/dbraw/zinc/65/60/64/505656064.db2.gz DZSGKIYXDHVKIR-FGTMMUONSA-N 2 1 350.453 3.322 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1(F)F ZINC000577063281 505656068 /nfs/dbraw/zinc/65/60/68/505656068.db2.gz DZSGKIYXDHVKIR-FGTMMUONSA-N 2 1 350.453 3.322 20 0 FGADMP OCCCSCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000573987896 505667048 /nfs/dbraw/zinc/66/70/48/505667048.db2.gz JKAJDYUSQSXZFG-QHAWAJNXSA-N 2 1 362.583 3.382 20 0 FGADMP Cc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000068301276 493793501 /nfs/dbraw/zinc/79/35/01/493793501.db2.gz ITCIWVOPNBIZHV-OAQYLSRUSA-N 2 1 355.526 3.183 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000076003972 493808018 /nfs/dbraw/zinc/80/80/18/493808018.db2.gz COAKPZYJQALCCQ-GHTZIAJQSA-N 2 1 357.542 3.234 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000057847069 493808102 /nfs/dbraw/zinc/80/81/02/493808102.db2.gz DIGKDIFSKLPVIS-UHFFFAOYSA-N 2 1 369.456 3.280 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000068594847 493846339 /nfs/dbraw/zinc/84/63/39/493846339.db2.gz IXBWIBJVPNOFII-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081333739 493873585 /nfs/dbraw/zinc/87/35/85/493873585.db2.gz LTCLVLOXUPNNRT-SFTDATJTSA-N 2 1 357.542 3.089 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000081395725 493886221 /nfs/dbraw/zinc/88/62/21/493886221.db2.gz KQWIKMXFNHFSRR-UHFFFAOYSA-N 2 1 358.486 3.113 20 0 FGADMP CC(C)[NH2+]CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004804985 493893415 /nfs/dbraw/zinc/89/34/15/493893415.db2.gz DAQQYPJXRATETB-UHFFFAOYSA-N 2 1 365.521 3.308 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069298948 493952198 /nfs/dbraw/zinc/95/21/98/493952198.db2.gz GEIRWNHWLVLMRB-ZWKOTPCHSA-N 2 1 360.546 3.145 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000052208570 494011936 /nfs/dbraw/zinc/01/19/36/494011936.db2.gz WQUCZNTXFIBNHN-UHFFFAOYSA-N 2 1 363.571 3.077 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)C(C)(C)C)CC1 ZINC000052557973 494039788 /nfs/dbraw/zinc/03/97/88/494039788.db2.gz JUPPZRSGPBDJPS-GOSISDBHSA-N 2 1 359.558 3.442 20 0 FGADMP OCC[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCC[C@H]2CCO)c1 ZINC000070950233 494073785 /nfs/dbraw/zinc/07/37/85/494073785.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1cccc(C[N@@H+]2CCCC[C@H]2CCO)c1 ZINC000070950233 494073788 /nfs/dbraw/zinc/07/37/88/494073788.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1cccc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000070950233 494073792 /nfs/dbraw/zinc/07/37/92/494073792.db2.gz PPAOJKKCWQTSON-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000085366748 494117346 /nfs/dbraw/zinc/11/73/46/494117346.db2.gz AIWXBHIFGAKDPI-MOPGFXCFSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086364659 494149973 /nfs/dbraw/zinc/14/99/73/494149973.db2.gz AUIRJYFMVOXOJL-HZPDHXFCSA-N 2 1 357.502 3.271 20 0 FGADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000088719912 494256356 /nfs/dbraw/zinc/25/63/56/494256356.db2.gz KGJRGJSBMDDPDA-UNMCSNQZSA-N 2 1 371.569 3.132 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000088703157 494256445 /nfs/dbraw/zinc/25/64/45/494256445.db2.gz MHCFKEWJATYWLD-OAQYLSRUSA-N 3 1 372.601 3.429 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000088703157 494256450 /nfs/dbraw/zinc/25/64/50/494256450.db2.gz MHCFKEWJATYWLD-OAQYLSRUSA-N 2 1 372.601 3.429 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000088703157 494256455 /nfs/dbraw/zinc/25/64/55/494256455.db2.gz MHCFKEWJATYWLD-OAQYLSRUSA-N 2 1 372.601 3.429 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054805503 494273254 /nfs/dbraw/zinc/27/32/54/494273254.db2.gz LBGOCPCGSTYASR-HNNXBMFYSA-N 2 1 352.567 3.105 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000073202470 494336163 /nfs/dbraw/zinc/33/61/63/494336163.db2.gz CHHSSNKOXHKRAH-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000044277025 494346403 /nfs/dbraw/zinc/34/64/03/494346403.db2.gz XOUIVXDUCJJEIF-UHFFFAOYSA-N 2 1 366.509 3.318 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000577385432 505717824 /nfs/dbraw/zinc/71/78/24/505717824.db2.gz JPZSXOYWHCODQK-CXAGYDPISA-N 2 1 355.404 3.040 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(F)cc1 ZINC000073617537 494400080 /nfs/dbraw/zinc/40/00/80/494400080.db2.gz WIVKCCKPKVHBMN-UWJYYQICSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000073617537 494400084 /nfs/dbraw/zinc/40/00/84/494400084.db2.gz WIVKCCKPKVHBMN-UWJYYQICSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617537 494400088 /nfs/dbraw/zinc/40/00/88/494400088.db2.gz WIVKCCKPKVHBMN-UWJYYQICSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617537 494400090 /nfs/dbraw/zinc/40/00/90/494400090.db2.gz WIVKCCKPKVHBMN-UWJYYQICSA-N 2 1 369.484 3.037 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402814 505720678 /nfs/dbraw/zinc/72/06/78/505720678.db2.gz PGSHNDXKTOLDPY-KNQAVFIVSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000577402814 505720682 /nfs/dbraw/zinc/72/06/82/505720682.db2.gz PGSHNDXKTOLDPY-KNQAVFIVSA-N 2 1 365.521 3.368 20 0 FGADMP CC(C)[NH+](Cc1cncc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000580277818 505720749 /nfs/dbraw/zinc/72/07/49/505720749.db2.gz BEYQVRMQOKNKSG-NHCUHLMSSA-N 2 1 361.530 3.080 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003601 494425336 /nfs/dbraw/zinc/42/53/36/494425336.db2.gz WWQMLELBZRMDCL-IAGOWNOFSA-N 2 1 372.488 3.033 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003601 494425340 /nfs/dbraw/zinc/42/53/40/494425340.db2.gz WWQMLELBZRMDCL-IAGOWNOFSA-N 2 1 372.488 3.033 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000073897533 494444564 /nfs/dbraw/zinc/44/45/64/494444564.db2.gz UXZQGMSPXOLYNP-PMACEKPBSA-N 2 1 360.546 3.114 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462319 494459975 /nfs/dbraw/zinc/45/99/75/494459975.db2.gz UKNXLLQJHDYGFA-UTKZUKDTSA-N 2 1 369.509 3.372 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462319 494459979 /nfs/dbraw/zinc/45/99/79/494459979.db2.gz UKNXLLQJHDYGFA-UTKZUKDTSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462319 494459986 /nfs/dbraw/zinc/45/99/86/494459986.db2.gz UKNXLLQJHDYGFA-UTKZUKDTSA-N 2 1 369.509 3.372 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000079462319 494459992 /nfs/dbraw/zinc/45/99/92/494459992.db2.gz UKNXLLQJHDYGFA-UTKZUKDTSA-N 2 1 369.509 3.372 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+][C@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000056158875 494463332 /nfs/dbraw/zinc/46/33/32/494463332.db2.gz SZZRQQIBWVGPCU-HMFYCAOWSA-N 2 1 365.521 3.481 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000079564857 494482999 /nfs/dbraw/zinc/48/29/99/494482999.db2.gz PKFBWOKBGCKWDM-PKOBYXMFSA-N 2 1 374.529 3.156 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000079572218 494483994 /nfs/dbraw/zinc/48/39/94/494483994.db2.gz GWRBDKCFBAGDFG-UHFFFAOYSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000074219514 494500293 /nfs/dbraw/zinc/50/02/93/494500293.db2.gz MQRALRNIZQCZSM-HOTGVXAUSA-N 2 1 357.498 3.345 20 0 FGADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000074219510 494500398 /nfs/dbraw/zinc/50/03/98/494500398.db2.gz MQRALRNIZQCZSM-CVEARBPZSA-N 2 1 357.498 3.345 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1CCCCCC1 ZINC000074249909 494504234 /nfs/dbraw/zinc/50/42/34/494504234.db2.gz TUCHEROKCVMJQS-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000067593341 494577220 /nfs/dbraw/zinc/57/72/20/494577220.db2.gz KSNLNFSTRYCMMI-HXUWFJFHSA-N 2 1 357.542 3.135 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000091333568 494584295 /nfs/dbraw/zinc/58/42/95/494584295.db2.gz GQUYGKGZSWOFBT-FXAWDEMLSA-N 2 1 361.505 3.234 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2F)C2CCCC2)C1 ZINC000091333568 494584305 /nfs/dbraw/zinc/58/43/05/494584305.db2.gz GQUYGKGZSWOFBT-FXAWDEMLSA-N 2 1 361.505 3.234 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000568608016 505735967 /nfs/dbraw/zinc/73/59/67/505735967.db2.gz LYDRDZUALXYRSB-LJQANCHMSA-N 2 1 358.530 3.084 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000075158495 494699122 /nfs/dbraw/zinc/69/91/22/494699122.db2.gz QDJTXXLPBDSLHF-MRXNPFEDSA-N 2 1 357.498 3.441 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@@H]2CCC[C@@H]21 ZINC000580340628 505736562 /nfs/dbraw/zinc/73/65/62/505736562.db2.gz VLJPTCBURZVZDZ-ULQDDVLXSA-N 2 1 360.889 3.395 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000108428629 494705397 /nfs/dbraw/zinc/70/53/97/494705397.db2.gz UQEDCDQLXVAEDM-ZDUSSCGKSA-N 2 1 351.288 3.156 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000075200298 494706305 /nfs/dbraw/zinc/70/63/05/494706305.db2.gz KOZKPNBDPKFUFR-KRWDZBQOSA-N 2 1 369.509 3.489 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000108500158 494723639 /nfs/dbraw/zinc/72/36/39/494723639.db2.gz LYEPJPUEPBJRPG-GOSISDBHSA-N 2 1 374.529 3.013 20 0 FGADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000092742009 494735740 /nfs/dbraw/zinc/73/57/40/494735740.db2.gz SDJNEYHWBXSKAA-OWCLPIDISA-N 2 1 369.575 3.180 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000080645542 494754327 /nfs/dbraw/zinc/75/43/27/494754327.db2.gz GAWZQOXCDYGTOZ-UHFFFAOYSA-N 2 1 361.530 3.065 20 0 FGADMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820970 494762834 /nfs/dbraw/zinc/76/28/34/494762834.db2.gz ICKXNORUFPLTQV-LJQANCHMSA-N 2 1 372.557 3.411 20 0 FGADMP OCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629254 505740323 /nfs/dbraw/zinc/74/03/23/505740323.db2.gz BXBXQINRYKISMG-OAQYLSRUSA-N 2 1 366.505 3.345 20 0 FGADMP Cc1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1C1CC1 ZINC000092821356 494764325 /nfs/dbraw/zinc/76/43/25/494764325.db2.gz LASMDHTWVGWISC-UHFFFAOYSA-N 2 1 354.502 3.055 20 0 FGADMP Cc1nnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1C1CC1 ZINC000092821356 494764328 /nfs/dbraw/zinc/76/43/28/494764328.db2.gz LASMDHTWVGWISC-UHFFFAOYSA-N 2 1 354.502 3.055 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccoc2)no1 ZINC000092821576 494764412 /nfs/dbraw/zinc/76/44/12/494764412.db2.gz HQQLPDCTPHACCO-UHFFFAOYSA-N 2 1 367.453 3.463 20 0 FGADMP OCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000568629254 505740325 /nfs/dbraw/zinc/74/03/25/505740325.db2.gz BXBXQINRYKISMG-OAQYLSRUSA-N 2 1 366.505 3.345 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000108711156 494767338 /nfs/dbraw/zinc/76/73/38/494767338.db2.gz CKIUYNFUQPOWFU-YADHBBJMSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000108711156 494767344 /nfs/dbraw/zinc/76/73/44/494767344.db2.gz CKIUYNFUQPOWFU-YADHBBJMSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000108711156 494767348 /nfs/dbraw/zinc/76/73/48/494767348.db2.gz CKIUYNFUQPOWFU-YADHBBJMSA-N 2 1 363.505 3.042 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000116435076 494786005 /nfs/dbraw/zinc/78/60/05/494786005.db2.gz IFFVDNVPIVCHKP-SFHVURJKSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000577523939 505744469 /nfs/dbraw/zinc/74/44/69/505744469.db2.gz SNYFDRCDYKBRHA-UHFFFAOYSA-N 2 1 359.417 3.392 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000093147638 494834800 /nfs/dbraw/zinc/83/48/00/494834800.db2.gz FJYIFALASSLJAA-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000093147638 494834806 /nfs/dbraw/zinc/83/48/06/494834806.db2.gz FJYIFALASSLJAA-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[NH+]1CCC(CNc2ccc(C(F)(F)F)cn2)([NH+]2CCCCC2)CC1 ZINC000126878599 494854107 /nfs/dbraw/zinc/85/41/07/494854107.db2.gz SWDFRVKXKXQICL-UHFFFAOYSA-N 2 1 356.436 3.463 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000574321628 505746676 /nfs/dbraw/zinc/74/66/76/505746676.db2.gz KITUDITUOGTSOL-SJBKTWHCSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C[C@@H](C)O1 ZINC000574321628 505746680 /nfs/dbraw/zinc/74/66/80/505746680.db2.gz KITUDITUOGTSOL-SJBKTWHCSA-N 2 1 371.569 3.273 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906865 /nfs/dbraw/zinc/90/68/65/494906865.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906866 /nfs/dbraw/zinc/90/68/66/494906866.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906872 /nfs/dbraw/zinc/90/68/72/494906872.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 3 1 372.601 3.379 20 0 FGADMP CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906877 /nfs/dbraw/zinc/90/68/77/494906877.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 2 1 372.601 3.379 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906879 /nfs/dbraw/zinc/90/68/79/494906879.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906885 /nfs/dbraw/zinc/90/68/85/494906885.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000093639242 494906889 /nfs/dbraw/zinc/90/68/89/494906889.db2.gz KIIIBAPRBPCSND-DENIHFKCSA-N 2 1 372.601 3.379 20 0 FGADMP Cc1ccc(SCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000109753732 494914152 /nfs/dbraw/zinc/91/41/52/494914152.db2.gz UGLOJJPKAXGELA-HXUWFJFHSA-N 2 1 361.599 3.497 20 0 FGADMP Cc1ccc(SCC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000109753732 494914153 /nfs/dbraw/zinc/91/41/53/494914153.db2.gz UGLOJJPKAXGELA-HXUWFJFHSA-N 2 1 361.599 3.497 20 0 FGADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCS2 ZINC000132743886 494917590 /nfs/dbraw/zinc/91/75/90/494917590.db2.gz WZBXXOMVIYTDNW-RDTXWAMCSA-N 2 1 350.503 3.453 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753195 494917669 /nfs/dbraw/zinc/91/76/69/494917669.db2.gz AZVQQMXQNJHVCD-GOSISDBHSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753195 494917672 /nfs/dbraw/zinc/91/76/72/494917672.db2.gz AZVQQMXQNJHVCD-GOSISDBHSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753195 494917675 /nfs/dbraw/zinc/91/76/75/494917675.db2.gz AZVQQMXQNJHVCD-GOSISDBHSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093753195 494917678 /nfs/dbraw/zinc/91/76/78/494917678.db2.gz AZVQQMXQNJHVCD-GOSISDBHSA-N 2 1 362.514 3.019 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000132993267 494954014 /nfs/dbraw/zinc/95/40/14/494954014.db2.gz BMOYPRVWQWVOME-UXHICEINSA-N 2 1 372.601 3.427 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000132993267 494954019 /nfs/dbraw/zinc/95/40/19/494954019.db2.gz BMOYPRVWQWVOME-UXHICEINSA-N 2 1 372.601 3.427 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000118030549 494971646 /nfs/dbraw/zinc/97/16/46/494971646.db2.gz VUMSURXAUGAYBB-ROUUACIJSA-N 2 1 374.529 3.076 20 0 FGADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCCC1 ZINC000122565859 494995608 /nfs/dbraw/zinc/99/56/08/494995608.db2.gz RHIIINRKGCXFRI-SLFFLAALSA-N 2 1 352.563 3.452 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000127899916 495015022 /nfs/dbraw/zinc/01/50/22/495015022.db2.gz VJSVSJINFCASCI-JXFKEZNVSA-N 2 1 351.450 3.271 20 0 FGADMP C[C@H]1CSCC[NH+](Cc2cncc(C[N@@H+]3CCSC[C@H](C)C3)c2)C1 ZINC000577577875 505756813 /nfs/dbraw/zinc/75/68/13/505756813.db2.gz WDPSLXRNIUBEJN-IAGOWNOFSA-N 2 1 365.612 3.451 20 0 FGADMP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c(C)c2)CC1 ZINC000122807777 495034407 /nfs/dbraw/zinc/03/44/07/495034407.db2.gz BUIBQEINTDFENB-OTWHNJEPSA-N 2 1 372.557 3.337 20 0 FGADMP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000119062803 495082919 /nfs/dbraw/zinc/08/29/19/495082919.db2.gz OSYQLUOFNIFOLR-HNNXBMFYSA-N 2 1 360.889 3.350 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)cc1 ZINC000119062803 495082924 /nfs/dbraw/zinc/08/29/24/495082924.db2.gz OSYQLUOFNIFOLR-HNNXBMFYSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000128548130 495114506 /nfs/dbraw/zinc/11/45/06/495114506.db2.gz KRDJAMBQFLORHL-LJQANCHMSA-N 2 1 355.482 3.298 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000128779179 495148773 /nfs/dbraw/zinc/14/87/73/495148773.db2.gz FGQCDWAIPHPQOU-XLIONFOSSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000128779179 495148777 /nfs/dbraw/zinc/14/87/77/495148777.db2.gz FGQCDWAIPHPQOU-XLIONFOSSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000128779179 495148780 /nfs/dbraw/zinc/14/87/80/495148780.db2.gz FGQCDWAIPHPQOU-XLIONFOSSA-N 2 1 360.546 3.010 20 0 FGADMP CC[C@H](C)[N@H+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000134729770 495193316 /nfs/dbraw/zinc/19/33/16/495193316.db2.gz OBLCRRBHVGLZMB-SNRMKQJTSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000134729770 495193320 /nfs/dbraw/zinc/19/33/20/495193320.db2.gz OBLCRRBHVGLZMB-SNRMKQJTSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000134729770 495193325 /nfs/dbraw/zinc/19/33/25/495193325.db2.gz OBLCRRBHVGLZMB-SNRMKQJTSA-N 2 1 353.938 3.032 20 0 FGADMP CC[C@H](C)[NH+](C)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000134729770 495193328 /nfs/dbraw/zinc/19/33/28/495193328.db2.gz OBLCRRBHVGLZMB-SNRMKQJTSA-N 2 1 353.938 3.032 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129226001 495213784 /nfs/dbraw/zinc/21/37/84/495213784.db2.gz QQZGQVWTADPYSW-GUXCAODWSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccncc2)c1 ZINC000129226001 495213785 /nfs/dbraw/zinc/21/37/85/495213785.db2.gz QQZGQVWTADPYSW-GUXCAODWSA-N 2 1 352.482 3.152 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000574418332 505769167 /nfs/dbraw/zinc/76/91/67/505769167.db2.gz UJEJKMZYOXAWIM-HSZRJFAPSA-N 2 1 374.488 3.463 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000129459744 495247970 /nfs/dbraw/zinc/24/79/70/495247970.db2.gz FRXIQEGGSRVAKM-RTBURBONSA-N 2 1 372.557 3.012 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577647425 505770408 /nfs/dbraw/zinc/77/04/08/505770408.db2.gz NUFVKICSYQTQBW-GCJKJVERSA-N 2 1 365.521 3.184 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000124319166 495268914 /nfs/dbraw/zinc/26/89/14/495268914.db2.gz BDDYTLXKKILBPE-GOSISDBHSA-N 2 1 351.535 3.226 20 0 FGADMP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124361322 495275950 /nfs/dbraw/zinc/27/59/50/495275950.db2.gz RRYZZCCYQKPHEB-HNNXBMFYSA-N 2 1 352.592 3.499 20 0 FGADMP CC1CCC(N(C(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)C2CC2)CC1 ZINC000129835850 495302887 /nfs/dbraw/zinc/30/28/87/495302887.db2.gz XJGPPHNWXLTFFZ-CBJHCWRLSA-N 2 1 358.530 3.336 20 0 FGADMP COC1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCCCC1 ZINC000574439045 505773398 /nfs/dbraw/zinc/77/33/98/505773398.db2.gz PQIKZFHYPZPSJQ-JOCHJYFZSA-N 2 1 371.569 3.228 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000105118749 495339095 /nfs/dbraw/zinc/33/90/95/495339095.db2.gz MOHNGINAVKFSKB-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CN(C(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000130104247 495342274 /nfs/dbraw/zinc/34/22/74/495342274.db2.gz XFDDEWHOJCIREO-UHFFFAOYSA-N 2 1 366.509 3.283 20 0 FGADMP C[C@H](CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000574450897 505776359 /nfs/dbraw/zinc/77/63/59/505776359.db2.gz XLIJFFJEYBOTLA-KIZRIRGWSA-N 2 1 371.569 3.429 20 0 FGADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000124912838 495362939 /nfs/dbraw/zinc/36/29/39/495362939.db2.gz TUHOGOHOOKZNSI-UHFFFAOYSA-N 2 1 363.505 3.071 20 0 FGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000105476424 495365843 /nfs/dbraw/zinc/36/58/43/495365843.db2.gz YRFDUQSNAZZKEX-UHFFFAOYSA-N 2 1 360.329 3.119 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000571630282 505777470 /nfs/dbraw/zinc/77/74/70/505777470.db2.gz KOEZXOJWDRMFSO-RTBURBONSA-N 2 1 374.573 3.269 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccccc2F)CC1 ZINC000114475562 495380942 /nfs/dbraw/zinc/38/09/42/495380942.db2.gz FUKPJQFBXGEFGB-KRWDZBQOSA-N 2 1 363.521 3.274 20 0 FGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577681821 505774274 /nfs/dbraw/zinc/77/42/74/505774274.db2.gz CREFKOSKOWGYAQ-NJYVYQBISA-N 2 1 374.569 3.455 20 0 FGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577681821 505774278 /nfs/dbraw/zinc/77/42/78/505774278.db2.gz CREFKOSKOWGYAQ-NJYVYQBISA-N 2 1 374.569 3.455 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000136577463 495388066 /nfs/dbraw/zinc/38/80/66/495388066.db2.gz XKHHZOJXYYFEMH-SFTDATJTSA-N 2 1 372.557 3.154 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+]1CCCC1 ZINC000136688195 495395031 /nfs/dbraw/zinc/39/50/31/495395031.db2.gz JYBYHTBUWHCISD-AABGKKOBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326863 495426677 /nfs/dbraw/zinc/42/66/77/495426677.db2.gz SILJVOLGSNXUBW-FYYLOGMGSA-N 3 1 372.601 3.217 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)[C@H](C)C1 ZINC000125326863 495426681 /nfs/dbraw/zinc/42/66/81/495426681.db2.gz SILJVOLGSNXUBW-FYYLOGMGSA-N 2 1 372.601 3.217 20 0 FGADMP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000580542033 505782935 /nfs/dbraw/zinc/78/29/35/505782935.db2.gz PPJYEPUCYUFWEB-JOCHJYFZSA-N 2 1 352.478 3.392 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)c1 ZINC000130877209 495459972 /nfs/dbraw/zinc/45/99/72/495459972.db2.gz LTYZIIBTDUYFSP-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000130877209 495459976 /nfs/dbraw/zinc/45/99/76/495459976.db2.gz LTYZIIBTDUYFSP-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000130877209 495459979 /nfs/dbraw/zinc/45/99/79/495459979.db2.gz LTYZIIBTDUYFSP-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798169 495460079 /nfs/dbraw/zinc/46/00/79/495460079.db2.gz GFGYVOHUDXHGOV-UONOGXRCSA-N 2 1 368.319 3.098 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000125685797 495482738 /nfs/dbraw/zinc/48/27/38/495482738.db2.gz OCYMUHSXXIBVCJ-SFHVURJKSA-N 2 1 352.567 3.253 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000125818922 495503308 /nfs/dbraw/zinc/50/33/08/495503308.db2.gz PDRMLQNCGVYKHP-HOTGVXAUSA-N 2 1 350.503 3.483 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)c2ccccc2C)CC1 ZINC000125832701 495506266 /nfs/dbraw/zinc/50/62/66/495506266.db2.gz FZMUPCLFFLGHJH-UHFFFAOYSA-N 2 1 354.498 3.175 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182386819 495542816 /nfs/dbraw/zinc/54/28/16/495542816.db2.gz MYJLECYPVWXJJG-QZTJIDSGSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000158609466 495549029 /nfs/dbraw/zinc/54/90/29/495549029.db2.gz YPCWYCNBKMCRTJ-GBESFXJTSA-N 2 1 356.514 3.061 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000182414266 495554372 /nfs/dbraw/zinc/55/43/72/495554372.db2.gz DJJKHNLVOKDSNE-MSOLQXFVSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000182414266 495554377 /nfs/dbraw/zinc/55/43/77/495554377.db2.gz DJJKHNLVOKDSNE-MSOLQXFVSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000170689715 495567517 /nfs/dbraw/zinc/56/75/17/495567517.db2.gz ITEVEJHNLQXSJV-OALUTQOASA-N 2 1 373.541 3.063 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297399 495586077 /nfs/dbraw/zinc/58/60/77/495586077.db2.gz ADIXXWAFYDHSKL-OAQYLSRUSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000176297399 495586080 /nfs/dbraw/zinc/58/60/80/495586080.db2.gz ADIXXWAFYDHSKL-OAQYLSRUSA-N 2 1 373.516 3.125 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)CC1 ZINC000179476646 495606722 /nfs/dbraw/zinc/60/67/22/495606722.db2.gz TWQDYVPRTISOIS-LJQANCHMSA-N 2 1 357.473 3.298 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000158997600 495634783 /nfs/dbraw/zinc/63/47/83/495634783.db2.gz SQPTXROXMNOTCJ-XMSQKQJNSA-N 2 1 353.510 3.492 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150818191 495644613 /nfs/dbraw/zinc/64/46/13/495644613.db2.gz UQYFJQSNYSKUGF-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP CCN(C(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000159050917 495646272 /nfs/dbraw/zinc/64/62/72/495646272.db2.gz PAGYDDLZOMVGHJ-OAQYLSRUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678436 495675440 /nfs/dbraw/zinc/67/54/40/495675440.db2.gz ZMWRCPWGYPIJBV-HBFSDRIKSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678436 495675444 /nfs/dbraw/zinc/67/54/44/495675444.db2.gz ZMWRCPWGYPIJBV-HBFSDRIKSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746667 495707684 /nfs/dbraw/zinc/70/76/84/495707684.db2.gz GMKRFGUIAPQKGV-ZIFCJYIRSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746667 495707691 /nfs/dbraw/zinc/70/76/91/495707691.db2.gz GMKRFGUIAPQKGV-ZIFCJYIRSA-N 2 1 355.526 3.207 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000154837464 495744182 /nfs/dbraw/zinc/74/41/82/495744182.db2.gz WSKWHQZMCMGYCV-QFIPXVFZSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 ZINC000151129186 495748178 /nfs/dbraw/zinc/74/81/78/495748178.db2.gz JMIVZGVGFVTKHF-INIZCTEOSA-N 2 1 363.933 3.266 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1C ZINC000173955772 495762222 /nfs/dbraw/zinc/76/22/22/495762222.db2.gz DKOUCKMREPEPLR-LJQANCHMSA-N 2 1 373.541 3.207 20 0 FGADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182954966 495772992 /nfs/dbraw/zinc/77/29/92/495772992.db2.gz JTTVTXHLCZYAPT-QZTJIDSGSA-N 2 1 364.578 3.251 20 0 FGADMP CC[C@H](C)c1ccccc1NC(=O)[C@H](C)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962236 495777459 /nfs/dbraw/zinc/77/74/59/495777459.db2.gz VBBPVPWFSVSGAE-OALUTQOASA-N 2 1 374.573 3.096 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(C)c1F ZINC000179939849 495792467 /nfs/dbraw/zinc/79/24/67/495792467.db2.gz GRWVBUOANRKQPW-MRXNPFEDSA-N 2 1 350.482 3.014 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183127123 495845548 /nfs/dbraw/zinc/84/55/48/495845548.db2.gz CKEXFZUTTFGBBO-ACIOBRDBSA-N 2 1 366.553 3.470 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3cccc(C)c3n2)cc1 ZINC000183141187 495852310 /nfs/dbraw/zinc/85/23/10/495852310.db2.gz IMAGARSYBCZFCW-MRXNPFEDSA-N 2 1 373.460 3.348 20 0 FGADMP NC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000180106736 495861380 /nfs/dbraw/zinc/86/13/80/495861380.db2.gz RTEBYFURQRTKST-SEJPIABJSA-N 2 1 364.493 3.462 20 0 FGADMP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239428 495877384 /nfs/dbraw/zinc/87/73/84/495877384.db2.gz XEZFQMUNDQNOMY-UHFFFAOYSA-N 2 1 369.509 3.236 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000180169899 495889840 /nfs/dbraw/zinc/88/98/40/495889840.db2.gz WEJQAJUMTKILDG-CCNLRDMRSA-N 2 1 362.518 3.348 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2ccc(F)cn2)CC1 ZINC000183351918 495942782 /nfs/dbraw/zinc/94/27/82/495942782.db2.gz PRSCXPDPSQKKKM-QFIPXVFZSA-N 2 1 370.516 3.317 20 0 FGADMP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000174413725 495948833 /nfs/dbraw/zinc/94/88/33/495948833.db2.gz PNKWYRULVBEKNI-SFHVURJKSA-N 2 1 353.510 3.389 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2F)cc1 ZINC000183672052 496071853 /nfs/dbraw/zinc/07/18/53/496071853.db2.gz OGBRMSXEYGPPJP-BEFAXECRSA-N 2 1 369.440 3.410 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000183690519 496081646 /nfs/dbraw/zinc/08/16/46/496081646.db2.gz ZPDPIIHHCPTAHO-MJGOQNOKSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000183690519 496081647 /nfs/dbraw/zinc/08/16/47/496081647.db2.gz ZPDPIIHHCPTAHO-MJGOQNOKSA-N 2 1 366.509 3.273 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c(C)n1 ZINC000152254579 496095554 /nfs/dbraw/zinc/09/55/54/496095554.db2.gz WTSYOKNTIZOVCL-LJQANCHMSA-N 2 1 352.482 3.385 20 0 FGADMP O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000177521226 496096201 /nfs/dbraw/zinc/09/62/01/496096201.db2.gz HRHQJUIYSRSLRQ-KDURUIRLSA-N 2 1 373.566 3.296 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000177684283 496159227 /nfs/dbraw/zinc/15/92/27/496159227.db2.gz SIVQNMMYAXQKNB-PXNSSMCTSA-N 2 1 361.505 3.199 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000174943039 496173979 /nfs/dbraw/zinc/17/39/79/496173979.db2.gz FYBQTYSZCNGQKR-IRXDYDNUSA-N 2 1 354.498 3.226 20 0 FGADMP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000177751455 496182253 /nfs/dbraw/zinc/18/22/53/496182253.db2.gz SJXLYBDFYUEXAL-IXDOHACOSA-N 2 1 356.514 3.189 20 0 FGADMP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H](C)C2)C1=O ZINC000174993525 496198907 /nfs/dbraw/zinc/19/89/07/496198907.db2.gz LFTACOGCGRXCOS-GHTZIAJQSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945929 496212449 /nfs/dbraw/zinc/21/24/49/496212449.db2.gz RWFBOSBHSRYXKG-OAHLLOKOSA-N 2 1 368.363 3.468 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000177846133 496220821 /nfs/dbraw/zinc/22/08/21/496220821.db2.gz AUONMSJTFLYZBF-GOSISDBHSA-N 2 1 360.546 3.012 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)C[C@@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000152766892 496249991 /nfs/dbraw/zinc/24/99/91/496249991.db2.gz YTUKFUSILALYTP-XEVCZEQESA-N 2 1 364.578 3.013 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000177967095 496270137 /nfs/dbraw/zinc/27/01/37/496270137.db2.gz LZDAUDRQWNOFFK-OAHLLOKOSA-N 2 1 374.444 3.128 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979746 496275010 /nfs/dbraw/zinc/27/50/10/496275010.db2.gz NOJPVOLDZGJGCE-KRWDZBQOSA-N 2 1 364.497 3.353 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175173386 496277212 /nfs/dbraw/zinc/27/72/12/496277212.db2.gz YGHAIYIKCIRNQH-SFHVURJKSA-N 2 1 360.546 3.069 20 0 FGADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034327 496297730 /nfs/dbraw/zinc/29/77/30/496297730.db2.gz CELDILCCWVKBCH-QRVBRYPASA-N 2 1 361.530 3.191 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)OCCO4)CC2)nc(C)[nH+]1 ZINC000162274413 496326557 /nfs/dbraw/zinc/32/65/57/496326557.db2.gz RIKUPVBDGBSUMB-OAHLLOKOSA-N 2 1 368.481 3.184 20 0 FGADMP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175374483 496362716 /nfs/dbraw/zinc/36/27/16/496362716.db2.gz QDZDBYYKBYQCGA-CTNGQTDRSA-N 2 1 372.557 3.071 20 0 FGADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156976009 496377633 /nfs/dbraw/zinc/37/76/33/496377633.db2.gz DIAYOJOJEGRFMR-LPHOPBHVSA-N 2 1 369.509 3.390 20 0 FGADMP CCc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)o1 ZINC000156976009 496377636 /nfs/dbraw/zinc/37/76/36/496377636.db2.gz DIAYOJOJEGRFMR-LPHOPBHVSA-N 2 1 369.509 3.390 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869464 496425861 /nfs/dbraw/zinc/42/58/61/496425861.db2.gz BDAAQIQEBIMBNE-FGSXEWAUSA-N 2 1 364.537 3.463 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162869464 496425864 /nfs/dbraw/zinc/42/58/64/496425864.db2.gz BDAAQIQEBIMBNE-FGSXEWAUSA-N 2 1 364.537 3.463 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)n1 ZINC000153473144 496466317 /nfs/dbraw/zinc/46/63/17/496466317.db2.gz CELCFVGIMWTQLZ-HZPDHXFCSA-N 2 1 354.498 3.165 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)n1 ZINC000153473144 496466323 /nfs/dbraw/zinc/46/63/23/496466323.db2.gz CELCFVGIMWTQLZ-HZPDHXFCSA-N 2 1 354.498 3.165 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000175632564 496473403 /nfs/dbraw/zinc/47/34/03/496473403.db2.gz WLMYGMWRUGDVRR-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000157455941 496479891 /nfs/dbraw/zinc/47/98/91/496479891.db2.gz HUXCRBHOOCQDMA-LJQANCHMSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@H](C)O1 ZINC000163414823 496512511 /nfs/dbraw/zinc/51/25/11/496512511.db2.gz ZYPDQXDRANFCER-GASCZTMLSA-N 2 1 361.461 3.288 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@H](C)O1 ZINC000163414823 496512516 /nfs/dbraw/zinc/51/25/16/496512516.db2.gz ZYPDQXDRANFCER-GASCZTMLSA-N 2 1 361.461 3.288 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4ccc(F)cc4o3)CC2)C[C@H](C)O1 ZINC000163414960 496513111 /nfs/dbraw/zinc/51/31/11/496513111.db2.gz ZYPDQXDRANFCER-GJZGRUSLSA-N 2 1 361.461 3.288 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000178690368 496541949 /nfs/dbraw/zinc/54/19/49/496541949.db2.gz VIQOEPZTUYJIFZ-GCJKJVERSA-N 2 1 365.521 3.420 20 0 FGADMP C[C@H](CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000184844329 496553782 /nfs/dbraw/zinc/55/37/82/496553782.db2.gz AHFGJIALPXGYND-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000153728303 496560423 /nfs/dbraw/zinc/56/04/23/496560423.db2.gz MBOLBAKYYIEVFO-HNNXBMFYSA-N 2 1 364.921 3.453 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cccc(Cl)c2)c1C ZINC000153728303 496560428 /nfs/dbraw/zinc/56/04/28/496560428.db2.gz MBOLBAKYYIEVFO-HNNXBMFYSA-N 2 1 364.921 3.453 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000157871274 496575288 /nfs/dbraw/zinc/57/52/88/496575288.db2.gz UQXPFHWQEXJQJQ-IRXDYDNUSA-N 2 1 367.559 3.363 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000184935374 496591777 /nfs/dbraw/zinc/59/17/77/496591777.db2.gz VDNJBYUMMPYMPZ-LJQANCHMSA-N 2 1 357.523 3.132 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](Cc1cccs1)C1CC1)c1ccccc1 ZINC000184935374 496591784 /nfs/dbraw/zinc/59/17/84/496591784.db2.gz VDNJBYUMMPYMPZ-LJQANCHMSA-N 2 1 357.523 3.132 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000164693482 496627091 /nfs/dbraw/zinc/62/70/91/496627091.db2.gz FLELEUAICBUTIJ-UHFFFAOYSA-N 2 1 352.482 3.394 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000185034403 496630271 /nfs/dbraw/zinc/63/02/71/496630271.db2.gz YPAAEZGVNNHKAC-OALUTQOASA-N 2 1 366.571 3.259 20 0 FGADMP CC(C)[NH+](CCNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000173326869 496644802 /nfs/dbraw/zinc/64/48/02/496644802.db2.gz UYTJVVGUARUTAV-NRFANRHFSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2cccc(Cl)c2)CC1 ZINC000154033404 496661480 /nfs/dbraw/zinc/66/14/80/496661480.db2.gz NLZKCMSPZZXPPU-ROUUACIJSA-N 2 1 365.949 3.209 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000158264244 496663010 /nfs/dbraw/zinc/66/30/10/496663010.db2.gz BGZDUGVRYMAUIR-HNNXBMFYSA-N 2 1 353.913 3.375 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165643218 496664640 /nfs/dbraw/zinc/66/46/40/496664640.db2.gz MWDAYMVTVUEKSG-HBFSDRIKSA-N 2 1 373.541 3.211 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165643218 496664642 /nfs/dbraw/zinc/66/46/42/496664642.db2.gz MWDAYMVTVUEKSG-HBFSDRIKSA-N 2 1 373.541 3.211 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CCOCC1 ZINC000154067288 496672179 /nfs/dbraw/zinc/67/21/79/496672179.db2.gz FAVWRAXRJDCPAT-NVXWUHKLSA-N 2 1 366.933 3.469 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000182110055 496672636 /nfs/dbraw/zinc/67/26/36/496672636.db2.gz QTXGXUUWGMNXDD-HNNXBMFYSA-N 2 1 367.497 3.371 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000179092943 496673236 /nfs/dbraw/zinc/67/32/36/496673236.db2.gz GDQRNDUHTJCVHH-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000179092943 496673243 /nfs/dbraw/zinc/67/32/43/496673243.db2.gz GDQRNDUHTJCVHH-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)cc1 ZINC000179092943 496673247 /nfs/dbraw/zinc/67/32/47/496673247.db2.gz GDQRNDUHTJCVHH-GMQQQROESA-N 2 1 360.542 3.157 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)cc1 ZINC000166558772 496689228 /nfs/dbraw/zinc/68/92/28/496689228.db2.gz GPZIRHNZOPXUMP-VQIMIIECSA-N 2 1 364.497 3.234 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1C ZINC000173429714 496690256 /nfs/dbraw/zinc/69/02/56/496690256.db2.gz HQZKAWSZWLCEEE-MPGHIAIKSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1C ZINC000173429714 496690258 /nfs/dbraw/zinc/69/02/58/496690258.db2.gz HQZKAWSZWLCEEE-MPGHIAIKSA-N 2 1 366.937 3.067 20 0 FGADMP Cc1cccc(OC[C@H](O)CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246987249 496743578 /nfs/dbraw/zinc/74/35/78/496743578.db2.gz NZAJTBWUPWDCLF-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000246987249 496743580 /nfs/dbraw/zinc/74/35/80/496743580.db2.gz NZAJTBWUPWDCLF-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000246987249 496743583 /nfs/dbraw/zinc/74/35/83/496743583.db2.gz NZAJTBWUPWDCLF-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246987249 496743585 /nfs/dbraw/zinc/74/35/85/496743585.db2.gz NZAJTBWUPWDCLF-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000246987249 496743588 /nfs/dbraw/zinc/74/35/88/496743588.db2.gz NZAJTBWUPWDCLF-NJDAHSKKSA-N 2 1 360.542 3.321 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccccc2Br)CC1 ZINC000191390805 496746578 /nfs/dbraw/zinc/74/65/78/496746578.db2.gz KMQSJCMYRDTHMY-UHFFFAOYSA-N 2 1 368.363 3.297 20 0 FGADMP O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000247016491 496752946 /nfs/dbraw/zinc/75/29/46/496752946.db2.gz XRYAIQKIEUEQIN-UGSOOPFHSA-N 2 1 365.880 3.366 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000191482755 496778097 /nfs/dbraw/zinc/77/80/97/496778097.db2.gz OOMNVTGKEGESIJ-OAHLLOKOSA-N 2 1 354.458 3.364 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1nc(-c2cccnc2)no1 ZINC000191482755 496778102 /nfs/dbraw/zinc/77/81/02/496778102.db2.gz OOMNVTGKEGESIJ-OAHLLOKOSA-N 2 1 354.458 3.364 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)CCOCC2)cc1 ZINC000247101520 496779201 /nfs/dbraw/zinc/77/92/01/496779201.db2.gz QBEICWUFLSVNRT-RXVVDRJESA-N 2 1 360.542 3.453 20 0 FGADMP COCCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268800902 496790007 /nfs/dbraw/zinc/79/00/07/496790007.db2.gz ANBCPEGFHDGICX-UGKGYDQZSA-N 2 1 359.558 3.130 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1OC(F)F ZINC000268856061 496805210 /nfs/dbraw/zinc/80/52/10/496805210.db2.gz CWSKMYZFACVYML-HOCLYGCPSA-N 2 1 372.456 3.184 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872339 496810274 /nfs/dbraw/zinc/81/02/74/496810274.db2.gz KSNYIKBDHIEFSL-RBBKRZOGSA-N 2 1 371.569 3.132 20 0 FGADMP Cc1nc2c(s1)[C@@H]([N@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000191573107 496818167 /nfs/dbraw/zinc/81/81/67/496818167.db2.gz BEIQOWQLXILBNP-SFHVURJKSA-N 2 1 350.576 3.177 20 0 FGADMP COc1cccc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000268916118 496823064 /nfs/dbraw/zinc/82/30/64/496823064.db2.gz NWSQSGAMZFWCRS-JOCHJYFZSA-N 2 1 354.494 3.025 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000188586229 496842243 /nfs/dbraw/zinc/84/22/43/496842243.db2.gz BGNMIXSGHBVTGH-LJQANCHMSA-N 2 1 374.573 3.402 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000569176270 505869503 /nfs/dbraw/zinc/86/95/03/505869503.db2.gz LXQWRXXMRGXKIB-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269067397 496862668 /nfs/dbraw/zinc/86/26/68/496862668.db2.gz LXOQDNUWQOPXJV-NWANDNLSSA-N 2 1 360.470 3.206 20 0 FGADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269067391 496862812 /nfs/dbraw/zinc/86/28/12/496862812.db2.gz LXOQDNUWQOPXJV-AEGPPILISA-N 2 1 360.470 3.206 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)C1CC[NH+](C2CC2)CC1 ZINC000195394241 496910730 /nfs/dbraw/zinc/91/07/30/496910730.db2.gz IASQVXCJDGMLSO-UHFFFAOYSA-N 2 1 359.539 3.048 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000580941375 505873201 /nfs/dbraw/zinc/87/32/01/505873201.db2.gz FMGZDZVAAYKUEU-ROUUACIJSA-N 2 1 372.557 3.187 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248035656 496944790 /nfs/dbraw/zinc/94/47/90/496944790.db2.gz LCPSMYLBQVKGAY-LEWJYISDSA-N 2 1 370.541 3.092 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000248142680 496962657 /nfs/dbraw/zinc/96/26/57/496962657.db2.gz YXKPMZKXLQAVKG-HBMCJLEFSA-N 2 1 351.494 3.241 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000248142680 496962664 /nfs/dbraw/zinc/96/26/64/496962664.db2.gz YXKPMZKXLQAVKG-HBMCJLEFSA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000248142680 496962666 /nfs/dbraw/zinc/96/26/66/496962666.db2.gz YXKPMZKXLQAVKG-HBMCJLEFSA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000248142680 496962673 /nfs/dbraw/zinc/96/26/73/496962673.db2.gz YXKPMZKXLQAVKG-HBMCJLEFSA-N 2 1 351.494 3.241 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248393902 496993068 /nfs/dbraw/zinc/99/30/68/496993068.db2.gz FEPDYGVGYXKXEY-YDZRNGNQSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393902 496993070 /nfs/dbraw/zinc/99/30/70/496993070.db2.gz FEPDYGVGYXKXEY-YDZRNGNQSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393902 496993075 /nfs/dbraw/zinc/99/30/75/496993075.db2.gz FEPDYGVGYXKXEY-YDZRNGNQSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440802 497012824 /nfs/dbraw/zinc/01/28/24/497012824.db2.gz JTCCLLIKXOMJLO-JXFKEZNVSA-N 2 1 368.477 3.223 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450441 497014885 /nfs/dbraw/zinc/01/48/85/497014885.db2.gz PAFQSMGGCYFXGK-OXJNMPFZSA-N 2 1 371.500 3.309 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248543118 497034716 /nfs/dbraw/zinc/03/47/16/497034716.db2.gz CJFQNTAVNINVHL-BJLQDIEVSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543118 497034718 /nfs/dbraw/zinc/03/47/18/497034718.db2.gz CJFQNTAVNINVHL-BJLQDIEVSA-N 2 1 357.542 3.242 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@@H+]1Cc1ccccc1 ZINC000274389327 497085730 /nfs/dbraw/zinc/08/57/30/497085730.db2.gz OAWKWUMUDOAJGL-WMZOPIPTSA-N 2 1 356.539 3.174 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCc2cn3c(n2)SCC3)CC[N@H+]1Cc1ccccc1 ZINC000274389327 497085735 /nfs/dbraw/zinc/08/57/35/497085735.db2.gz OAWKWUMUDOAJGL-WMZOPIPTSA-N 2 1 356.539 3.174 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248855047 497118789 /nfs/dbraw/zinc/11/87/89/497118789.db2.gz VSYNJOLFBSDIBS-WJFTUGDTSA-N 2 1 362.562 3.487 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000248855047 497118793 /nfs/dbraw/zinc/11/87/93/497118793.db2.gz VSYNJOLFBSDIBS-WJFTUGDTSA-N 2 1 362.562 3.487 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414764 497122789 /nfs/dbraw/zinc/12/27/89/497122789.db2.gz CVFKPYUJDXQPDA-OCCSQVGLSA-N 2 1 360.329 3.463 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236653109 497128044 /nfs/dbraw/zinc/12/80/44/497128044.db2.gz KLLUFBWXARQELL-PKOBYXMFSA-N 2 1 357.523 3.337 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000270516060 497143339 /nfs/dbraw/zinc/14/33/39/497143339.db2.gz MDXAFKJQFSLABW-SFTDATJTSA-N 2 1 370.541 3.092 20 0 FGADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000236965663 497173466 /nfs/dbraw/zinc/17/34/66/497173466.db2.gz NVEJXEXHNNQQCV-DUXKGJEZSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3c(F)cccc3F)C2)CC1 ZINC000192801454 497217996 /nfs/dbraw/zinc/21/79/96/497217996.db2.gz AMKAUZJQUNLJLN-KRWDZBQOSA-N 2 1 351.485 3.170 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000249555523 497221175 /nfs/dbraw/zinc/22/11/75/497221175.db2.gz LTLKFTPHVGYGHL-AZUAARDMSA-N 2 1 362.562 3.153 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000249555523 497221183 /nfs/dbraw/zinc/22/11/83/497221183.db2.gz LTLKFTPHVGYGHL-AZUAARDMSA-N 2 1 362.562 3.153 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000237366855 497226100 /nfs/dbraw/zinc/22/61/00/497226100.db2.gz SQWSZKZXZVXKEK-JTDSTZFVSA-N 2 1 354.498 3.384 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000237394888 497229850 /nfs/dbraw/zinc/22/98/50/497229850.db2.gz FCLRMKCQYBAIKT-HZPDHXFCSA-N 2 1 354.498 3.384 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000249971975 497259525 /nfs/dbraw/zinc/25/95/25/497259525.db2.gz PAUVPSKXOCDSDH-RTWAWAEBSA-N 2 1 374.573 3.441 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000249971975 497259528 /nfs/dbraw/zinc/25/95/28/497259528.db2.gz PAUVPSKXOCDSDH-RTWAWAEBSA-N 2 1 374.573 3.441 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000250639315 497267657 /nfs/dbraw/zinc/26/76/57/497267657.db2.gz CKIUYNFUQPOWFU-FGZHOGPDSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000250639315 497267663 /nfs/dbraw/zinc/26/76/63/497267663.db2.gz CKIUYNFUQPOWFU-FGZHOGPDSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000250639315 497267668 /nfs/dbraw/zinc/26/76/68/497267668.db2.gz CKIUYNFUQPOWFU-FGZHOGPDSA-N 2 1 363.505 3.042 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000251580276 497277941 /nfs/dbraw/zinc/27/79/41/497277941.db2.gz AZLOXXRWVKJCIN-VAMGGRTRSA-N 2 1 366.594 3.308 20 0 FGADMP [NH3+]CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3Cl)s2)CC1 ZINC000237851619 497302642 /nfs/dbraw/zinc/30/26/42/497302642.db2.gz MWTGBFBRHMDDBN-UHFFFAOYSA-N 2 1 363.914 3.062 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000237973373 497321524 /nfs/dbraw/zinc/32/15/24/497321524.db2.gz JJGKGOVOHFWPNB-SJNJHYDESA-N 2 1 367.537 3.219 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253547382 497338791 /nfs/dbraw/zinc/33/87/91/497338791.db2.gz UMWASCCGQSOVJE-YOUFYPILSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253547382 497338793 /nfs/dbraw/zinc/33/87/93/497338793.db2.gz UMWASCCGQSOVJE-YOUFYPILSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253547382 497338796 /nfs/dbraw/zinc/33/87/96/497338796.db2.gz UMWASCCGQSOVJE-YOUFYPILSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000245426030 497399696 /nfs/dbraw/zinc/39/96/96/497399696.db2.gz FMFXOIGJDIRYQY-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000245426030 497399701 /nfs/dbraw/zinc/39/97/01/497399701.db2.gz FMFXOIGJDIRYQY-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000245426030 497399703 /nfs/dbraw/zinc/39/97/03/497399703.db2.gz FMFXOIGJDIRYQY-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000245428110 497400313 /nfs/dbraw/zinc/40/03/13/497400313.db2.gz IIXLNEVKIQAZAU-NSHGMRRFSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@@H](CCNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000245428110 497400316 /nfs/dbraw/zinc/40/03/16/497400316.db2.gz IIXLNEVKIQAZAU-NSHGMRRFSA-N 2 1 360.546 3.021 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000245440542 497408361 /nfs/dbraw/zinc/40/83/61/497408361.db2.gz UPWWCINFVRNZQK-QNUOKEPZSA-N 2 1 361.574 3.124 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@H]1C[NH3+] ZINC000575021398 505906190 /nfs/dbraw/zinc/90/61/90/505906190.db2.gz CHXODYVNGLCXMF-DLBZAZTESA-N 2 1 353.514 3.477 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCc3nc[nH]c32)CCC1 ZINC000569321451 505907201 /nfs/dbraw/zinc/90/72/01/505907201.db2.gz ULUKEAZQRHQQBY-KRWDZBQOSA-N 2 1 352.482 3.001 20 0 FGADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCc3[nH]cnc32)CCC1 ZINC000569321451 505907205 /nfs/dbraw/zinc/90/72/05/505907205.db2.gz ULUKEAZQRHQQBY-KRWDZBQOSA-N 2 1 352.482 3.001 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCCc3[nH]cnc32)CCC1 ZINC000569321451 505907209 /nfs/dbraw/zinc/90/72/09/505907209.db2.gz ULUKEAZQRHQQBY-KRWDZBQOSA-N 2 1 352.482 3.001 20 0 FGADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)CC[N@H+]1C ZINC000279453716 497442982 /nfs/dbraw/zinc/44/29/82/497442982.db2.gz OGUIORHYNPFOME-HKUYNNGSSA-N 2 1 372.557 3.133 20 0 FGADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(Br)c1OC ZINC000271775134 497445870 /nfs/dbraw/zinc/44/58/70/497445870.db2.gz CIDRLNRIIJHQPQ-UHFFFAOYSA-N 2 1 369.303 3.208 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(Br)c1O ZINC000266956641 497455860 /nfs/dbraw/zinc/45/58/60/497455860.db2.gz IRZZHRVNQHNKSG-AGUYFDCRSA-N 2 1 369.303 3.268 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245584431 497464685 /nfs/dbraw/zinc/46/46/85/497464685.db2.gz ACWXGTISJHWHDG-RXVVDRJESA-N 2 1 372.557 3.084 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(CO)c1 ZINC000245617193 497475106 /nfs/dbraw/zinc/47/51/06/497475106.db2.gz MBLYMNSVTXMTRA-CVDCTZTESA-N 2 1 367.537 3.208 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000245672443 497495053 /nfs/dbraw/zinc/49/50/53/497495053.db2.gz FNDBJKQQYXMQRR-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000245672443 497495056 /nfs/dbraw/zinc/49/50/56/497495056.db2.gz FNDBJKQQYXMQRR-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245672443 497495061 /nfs/dbraw/zinc/49/50/61/497495061.db2.gz FNDBJKQQYXMQRR-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(OC2CCCC2)c1 ZINC000262046105 497498678 /nfs/dbraw/zinc/49/86/78/497498678.db2.gz ZCNKOMPNPWGGFY-NJDAHSKKSA-N 2 1 374.525 3.263 20 0 FGADMP CN(C)c1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245688490 497502726 /nfs/dbraw/zinc/50/27/26/497502726.db2.gz KAARZVXKBMXTOM-WKCHPHFGSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1ncccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245688490 497502735 /nfs/dbraw/zinc/50/27/35/497502735.db2.gz KAARZVXKBMXTOM-WKCHPHFGSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262363076 497545570 /nfs/dbraw/zinc/54/55/70/497545570.db2.gz VVIVRWCRAQFIJI-JEDRFMAYSA-N 2 1 369.553 3.121 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245839216 497546985 /nfs/dbraw/zinc/54/69/85/497546985.db2.gz HNPOQOOZFOURHB-ROUUACIJSA-N 2 1 366.937 3.067 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267441528 497553314 /nfs/dbraw/zinc/55/33/14/497553314.db2.gz CJMSDOZIBBWUJZ-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000267441528 497553318 /nfs/dbraw/zinc/55/33/18/497553318.db2.gz CJMSDOZIBBWUJZ-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](C)C2)CC1 ZINC000245884929 497559864 /nfs/dbraw/zinc/55/98/64/497559864.db2.gz ISBKHUHWDWPVJO-HKUYNNGSSA-N 2 1 357.542 3.054 20 0 FGADMP CC(C)[C@H]1CC[C@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000245892222 497561633 /nfs/dbraw/zinc/56/16/33/497561633.db2.gz JROWGBWUTXHOMP-UKVDTYTHSA-N 2 1 361.574 3.218 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@@H](C)C1 ZINC000245936565 497578739 /nfs/dbraw/zinc/57/87/39/497578739.db2.gz LDKKUSPHEJUVKF-WGMWDUQUSA-N 2 1 373.541 3.262 20 0 FGADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000190755974 497594897 /nfs/dbraw/zinc/59/48/97/497594897.db2.gz RVMBKIDXFURAQF-UHFFFAOYSA-N 2 1 352.526 3.334 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000246050425 497604960 /nfs/dbraw/zinc/60/49/60/497604960.db2.gz PZCQKJDRLFOELN-PZJWPPBQSA-N 2 1 360.542 3.403 20 0 FGADMP COc1cc(Br)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1O ZINC000272350376 497604993 /nfs/dbraw/zinc/60/49/93/497604993.db2.gz DBGXYJZHCPZNHZ-NSHDSACASA-N 2 1 368.275 3.094 20 0 FGADMP C[C@]1(O)CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@](C)(O)CC3)c2)CC1 ZINC000280088623 497645045 /nfs/dbraw/zinc/64/50/45/497645045.db2.gz OGOXFUOELVDVHI-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP C[C@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000246169598 497645530 /nfs/dbraw/zinc/64/55/30/497645530.db2.gz BBGHVHVHOXXAMD-LMMKCTJWSA-N 2 1 359.514 3.044 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000246181301 497650799 /nfs/dbraw/zinc/65/07/99/497650799.db2.gz CFEWUFIQGMMIMZ-NNWRFLSQSA-N 2 1 371.569 3.383 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246204779 497658882 /nfs/dbraw/zinc/65/88/82/497658882.db2.gz OFYZGTNWVXCBMV-GOEBONIOSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246204779 497658888 /nfs/dbraw/zinc/65/88/88/497658888.db2.gz OFYZGTNWVXCBMV-GOEBONIOSA-N 2 1 373.324 3.151 20 0 FGADMP CCN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000262959812 497666091 /nfs/dbraw/zinc/66/60/91/497666091.db2.gz KOVGWZHAKUJVAP-NQIIRXRSSA-N 2 1 357.542 3.450 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)CCC1CC[NH2+]CC1 ZINC000262961460 497667051 /nfs/dbraw/zinc/66/70/51/497667051.db2.gz KTAZRVHQKVODQK-OAQYLSRUSA-N 2 1 371.569 3.355 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000268077024 497673903 /nfs/dbraw/zinc/67/39/03/497673903.db2.gz FCVGKYUVYXRMPN-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000246274145 497679618 /nfs/dbraw/zinc/67/96/18/497679618.db2.gz JEVRMHAFOLPCCE-ZIFCJYIRSA-N 2 1 360.546 3.097 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000246290418 497684815 /nfs/dbraw/zinc/68/48/15/497684815.db2.gz BMOYPRVWQWVOME-VQTJNVASSA-N 2 1 372.601 3.427 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000246290418 497684816 /nfs/dbraw/zinc/68/48/16/497684816.db2.gz BMOYPRVWQWVOME-VQTJNVASSA-N 2 1 372.601 3.427 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246304285 497689647 /nfs/dbraw/zinc/68/96/47/497689647.db2.gz DIIFDLLYJHIVGN-LNLFQRSKSA-N 2 1 361.530 3.115 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)[C@H](C)C1 ZINC000246356905 497706367 /nfs/dbraw/zinc/70/63/67/497706367.db2.gz IDVJFLMUXRBTTC-LSTHTHJFSA-N 2 1 365.949 3.033 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736564 497716823 /nfs/dbraw/zinc/71/68/23/497716823.db2.gz JURRQJUNMSECQB-AOMKIAJQSA-N 2 1 352.478 3.134 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])c1ccccc1Cl ZINC000263228736 497737479 /nfs/dbraw/zinc/73/74/79/497737479.db2.gz HIJLFBNCRYYTJE-PWCTWUGBSA-N 2 1 363.933 3.213 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263281768 497748122 /nfs/dbraw/zinc/74/81/22/497748122.db2.gz UJSBWRCTYZCJTD-AGHHOFFYSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246510130 497758498 /nfs/dbraw/zinc/75/84/98/497758498.db2.gz TYEGTJCSGHPTHR-VQTJNVASSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000246514027 497760114 /nfs/dbraw/zinc/76/01/14/497760114.db2.gz UHZDOFFFKFPQQT-PAXLWEDBSA-N 2 1 363.521 3.310 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000246542123 497769669 /nfs/dbraw/zinc/76/96/69/497769669.db2.gz ASOILZCKVPQXTP-PWRODBHTSA-N 2 1 372.557 3.195 20 0 FGADMP CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000268539376 497776348 /nfs/dbraw/zinc/77/63/48/497776348.db2.gz SHNYHMSWMBGONZ-HXUWFJFHSA-N 2 1 372.557 3.165 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000191338865 497784520 /nfs/dbraw/zinc/78/45/20/497784520.db2.gz HUKHNXSOICSYKZ-UHFFFAOYSA-N 2 1 364.559 3.041 20 0 FGADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000578441799 505940863 /nfs/dbraw/zinc/94/08/63/505940863.db2.gz BSADHCLRHPUKRS-ICSRJNTNSA-N 2 1 373.541 3.246 20 0 FGADMP CN1C(=O)CCc2cc(C[NH2+]C[C@H]3CC[N@@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000364311393 497892086 /nfs/dbraw/zinc/89/20/86/497892086.db2.gz BLLQXOKITLVMMI-UTKZUKDTSA-N 2 1 369.534 3.440 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000292182951 497912538 /nfs/dbraw/zinc/91/25/38/497912538.db2.gz OQHONDCBOFCBKM-QMMLZNLJSA-N 2 1 364.505 3.120 20 0 FGADMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000364393870 497935904 /nfs/dbraw/zinc/93/59/04/497935904.db2.gz UQJICVDSPYJDGG-IBGZPJMESA-N 2 1 351.498 3.492 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000364459056 497969431 /nfs/dbraw/zinc/96/94/31/497969431.db2.gz PXRLWOVLEDLAIW-QGZVFWFLSA-N 2 1 355.530 3.030 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310915 505958302 /nfs/dbraw/zinc/95/83/02/505958302.db2.gz TVDFOEGUAHPMTA-VQTJNVASSA-N 3 1 370.585 3.039 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cccc(C(N)=O)c2)CC1 ZINC000281018320 497989165 /nfs/dbraw/zinc/98/91/65/497989165.db2.gz OEIBRWOYMZDLNZ-UHFFFAOYSA-N 2 1 365.521 3.361 20 0 FGADMP CC[N@@H+]1CCCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000301208647 498000340 /nfs/dbraw/zinc/00/03/40/498000340.db2.gz SFDNLTNFSADQKQ-UHFFFAOYSA-N 2 1 373.570 3.436 20 0 FGADMP CC[N@H+]1CCCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000301208647 498000347 /nfs/dbraw/zinc/00/03/47/498000347.db2.gz SFDNLTNFSADQKQ-UHFFFAOYSA-N 2 1 373.570 3.436 20 0 FGADMP C[C@@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)CC[N@H+](C2CCC2)C1 ZINC000292411581 498005469 /nfs/dbraw/zinc/00/54/69/498005469.db2.gz UPWZGKIQBIRPBE-OAQYLSRUSA-N 2 1 370.585 3.005 20 0 FGADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077384 498012035 /nfs/dbraw/zinc/01/20/35/498012035.db2.gz UFBKNOOEYUJCNG-GTAWCEEGSA-N 2 1 354.498 3.419 20 0 FGADMP Cc1oc2ccccc2c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000572445041 505970722 /nfs/dbraw/zinc/97/07/22/505970722.db2.gz QFUBHSDQBOMPDK-DFNIBXOVSA-N 2 1 353.510 3.484 20 0 FGADMP C([C@@H]1CCCOC1)[NH+]1CCCC2(CCC[N@H+](C[C@@H]3CCCOC3)C2)C1 ZINC000575611433 505983270 /nfs/dbraw/zinc/98/32/70/505983270.db2.gz DWTMWJGTHLFWTG-AHTKWCMKSA-N 2 1 350.547 3.018 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000569675746 505990471 /nfs/dbraw/zinc/99/04/71/505990471.db2.gz TUFHCTRNXVLDDG-MSOLQXFVSA-N 2 1 372.557 3.330 20 0 FGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000281517014 498178096 /nfs/dbraw/zinc/17/80/96/498178096.db2.gz HOAUCEFJYRTESR-IBGZPJMESA-N 2 1 370.472 3.487 20 0 FGADMP C[C@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364883735 498190679 /nfs/dbraw/zinc/19/06/79/498190679.db2.gz VEPYRRQLCYVDBW-IBGZPJMESA-N 2 1 371.569 3.445 20 0 FGADMP COc1c(Cl)cc(Cl)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289564160 498195417 /nfs/dbraw/zinc/19/54/17/498195417.db2.gz ZAZRPYZCQKJTHY-UHFFFAOYSA-N 2 1 360.329 3.071 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285865535 498223911 /nfs/dbraw/zinc/22/39/11/498223911.db2.gz YPYNGUWPSCTLLJ-ZACQAIPSSA-N 2 1 354.498 3.099 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000581492854 506000640 /nfs/dbraw/zinc/00/06/40/506000640.db2.gz VCMKDAKKNLAFSB-FQEVSTJZSA-N 2 1 366.509 3.056 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@@H+](C)CCCn1ccnc1C ZINC000289677232 498243468 /nfs/dbraw/zinc/24/34/68/498243468.db2.gz DKRUYNPQLDNPMG-UHFFFAOYSA-N 2 1 361.486 3.390 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000289677232 498243474 /nfs/dbraw/zinc/24/34/74/498243474.db2.gz DKRUYNPQLDNPMG-UHFFFAOYSA-N 2 1 361.486 3.390 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000289677232 498243480 /nfs/dbraw/zinc/24/34/80/498243480.db2.gz DKRUYNPQLDNPMG-UHFFFAOYSA-N 2 1 361.486 3.390 20 0 FGADMP CCc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000301776346 498259111 /nfs/dbraw/zinc/25/91/11/498259111.db2.gz GROXYIAKKIPHEZ-LJQANCHMSA-N 2 1 352.526 3.404 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797679 506006998 /nfs/dbraw/zinc/00/69/98/506006998.db2.gz ZSVOIOAKFQYYKA-RBUKOAKNSA-N 2 1 365.521 3.477 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360717826 498301085 /nfs/dbraw/zinc/30/10/85/498301085.db2.gz XHSQFHQCFREVGO-AICUMBRKSA-N 2 1 355.448 3.312 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360717826 498301095 /nfs/dbraw/zinc/30/10/95/498301095.db2.gz XHSQFHQCFREVGO-AICUMBRKSA-N 2 1 355.448 3.312 20 0 FGADMP COC(=O)c1csc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000286131501 498301141 /nfs/dbraw/zinc/30/11/41/498301141.db2.gz OOGNFWHIAWDQOG-CYBMUJFWSA-N 2 1 374.510 3.261 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000575874101 506022895 /nfs/dbraw/zinc/02/28/95/506022895.db2.gz OXFUYYWBPXXMPZ-IAGOWNOFSA-N 2 1 364.530 3.034 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1OC ZINC000575874101 506022899 /nfs/dbraw/zinc/02/28/99/506022899.db2.gz OXFUYYWBPXXMPZ-IAGOWNOFSA-N 2 1 364.530 3.034 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978538 498379343 /nfs/dbraw/zinc/37/93/43/498379343.db2.gz XSCVIMFWVTXIRP-BQFCYCMXSA-N 2 1 350.503 3.188 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978538 498379359 /nfs/dbraw/zinc/37/93/59/498379359.db2.gz XSCVIMFWVTXIRP-BQFCYCMXSA-N 2 1 350.503 3.188 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000581597467 506024547 /nfs/dbraw/zinc/02/45/47/506024547.db2.gz UCCCFVLHUOJGMA-MJRXPKLRSA-N 2 1 367.497 3.166 20 0 FGADMP CCN1CC[C@H]([NH2+]CCCc2c[nH+]cn2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000581615764 506028611 /nfs/dbraw/zinc/02/86/11/506028611.db2.gz SDTNIRNIFCUVJS-HKUYNNGSSA-N 2 1 366.431 3.195 20 0 FGADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000581623604 506030084 /nfs/dbraw/zinc/03/00/84/506030084.db2.gz ULQSOZAXIRQAGS-IBGZPJMESA-N 2 1 360.567 3.400 20 0 FGADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc(Br)c1O ZINC000297447832 498451763 /nfs/dbraw/zinc/45/17/63/498451763.db2.gz OWOQRMYWIVDDNR-WFASDCNBSA-N 2 1 371.319 3.325 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000362013678 498453478 /nfs/dbraw/zinc/45/34/78/498453478.db2.gz QBAUCIQFIUCSSU-HXUWFJFHSA-N 2 1 361.599 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793200 498490708 /nfs/dbraw/zinc/49/07/08/498490708.db2.gz UNGPLUMHQOZCCR-OPYAIIAOSA-N 2 1 364.505 3.384 20 0 FGADMP COCCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448316 498517282 /nfs/dbraw/zinc/51/72/82/498517282.db2.gz UYFDDVOELLLRFR-FXAWDEMLSA-N 2 1 352.494 3.384 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290363438 498524199 /nfs/dbraw/zinc/52/41/99/498524199.db2.gz GYLQFMMQMFHOAY-LJQANCHMSA-N 2 1 353.514 3.048 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000290397529 498537205 /nfs/dbraw/zinc/53/72/05/498537205.db2.gz SRQBBLJPFAEGAY-ZWKOTPCHSA-N 2 1 368.481 3.089 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703706 498541808 /nfs/dbraw/zinc/54/18/08/498541808.db2.gz RROONGSNKBSZOW-OXQOHEQNSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362703706 498541814 /nfs/dbraw/zinc/54/18/14/498541814.db2.gz RROONGSNKBSZOW-OXQOHEQNSA-N 2 1 372.944 3.346 20 0 FGADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000578921157 506051900 /nfs/dbraw/zinc/05/19/00/506051900.db2.gz LMIBHEJEMUNLNW-WIYYLYMNSA-N 2 1 357.542 3.339 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CCc4c3cccc4F)CC2)CC1 ZINC000569940457 506052619 /nfs/dbraw/zinc/05/26/19/506052619.db2.gz ZIRTVZPIDBZVOG-OAQYLSRUSA-N 2 1 373.516 3.126 20 0 FGADMP CSC1(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCC1 ZINC000365653081 498580111 /nfs/dbraw/zinc/58/01/11/498580111.db2.gz YYVYCXHPFFFIAY-UHFFFAOYSA-N 2 1 353.620 3.400 20 0 FGADMP CSC1(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000365653081 498580115 /nfs/dbraw/zinc/58/01/15/498580115.db2.gz YYVYCXHPFFFIAY-UHFFFAOYSA-N 3 1 353.620 3.400 20 0 FGADMP CSC1(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000365653081 498580124 /nfs/dbraw/zinc/58/01/24/498580124.db2.gz YYVYCXHPFFFIAY-UHFFFAOYSA-N 3 1 353.620 3.400 20 0 FGADMP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000569970050 506058882 /nfs/dbraw/zinc/05/88/82/506058882.db2.gz QQANXGVOGWPLQX-HTUJPFKRSA-N 2 1 370.541 3.235 20 0 FGADMP COc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999462 498596508 /nfs/dbraw/zinc/59/65/08/498596508.db2.gz FKJORHXWGNQVFG-VQTJNVASSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999462 498596512 /nfs/dbraw/zinc/59/65/12/498596512.db2.gz FKJORHXWGNQVFG-VQTJNVASSA-N 2 1 367.493 3.386 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OCc1ccncc1 ZINC000362999462 498596519 /nfs/dbraw/zinc/59/65/19/498596519.db2.gz FKJORHXWGNQVFG-VQTJNVASSA-N 2 1 367.493 3.386 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032389 506060170 /nfs/dbraw/zinc/06/01/70/506060170.db2.gz JRXRXFJVAAPRGO-HBFSDRIKSA-N 2 1 355.530 3.292 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000290613178 498619052 /nfs/dbraw/zinc/61/90/52/498619052.db2.gz WSXYYYSNNVDAOB-UHFFFAOYSA-N 2 1 352.486 3.153 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000290613178 498619059 /nfs/dbraw/zinc/61/90/59/498619059.db2.gz WSXYYYSNNVDAOB-UHFFFAOYSA-N 2 1 352.486 3.153 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3c(C)cc(C)cc3C)CC2)CC1 ZINC000303346987 498667974 /nfs/dbraw/zinc/66/79/74/498667974.db2.gz MSFUAWMYWIUZLR-UHFFFAOYSA-N 2 1 371.569 3.378 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363139713 498669917 /nfs/dbraw/zinc/66/99/17/498669917.db2.gz WANCZSGNVGVJFJ-QZTJIDSGSA-N 2 1 359.539 3.048 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000363139713 498669925 /nfs/dbraw/zinc/66/99/25/498669925.db2.gz WANCZSGNVGVJFJ-QZTJIDSGSA-N 2 1 359.539 3.048 20 0 FGADMP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303472959 498678876 /nfs/dbraw/zinc/67/88/76/498678876.db2.gz NIXIWECDOGOXHW-SFHVURJKSA-N 2 1 357.542 3.014 20 0 FGADMP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303472959 498678882 /nfs/dbraw/zinc/67/88/82/498678882.db2.gz NIXIWECDOGOXHW-SFHVURJKSA-N 2 1 357.542 3.014 20 0 FGADMP C[C@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303517340 498684692 /nfs/dbraw/zinc/68/46/92/498684692.db2.gz YHEKQZDLFMMVSL-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cs1 ZINC000365885842 498687958 /nfs/dbraw/zinc/68/79/58/498687958.db2.gz PGBXEKFFTSTNFO-CEXWTWQISA-N 2 1 361.555 3.211 20 0 FGADMP Cn1cc([C@@H]2[C@@H](CNCc3c(F)cccc3Cl)CCC[N@@H+]2C)cn1 ZINC000363177779 498688760 /nfs/dbraw/zinc/68/87/60/498688760.db2.gz YKNOKSQYEMDKMH-ACJLOTCBSA-N 2 1 350.869 3.385 20 0 FGADMP Cn1cc([C@@H]2[C@@H](CNCc3c(F)cccc3Cl)CCC[N@H+]2C)cn1 ZINC000363177779 498688768 /nfs/dbraw/zinc/68/87/68/498688768.db2.gz YKNOKSQYEMDKMH-ACJLOTCBSA-N 2 1 350.869 3.385 20 0 FGADMP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902123 498755582 /nfs/dbraw/zinc/75/55/82/498755582.db2.gz FYJCGCUVUFWHDX-PZJWPPBQSA-N 2 1 351.494 3.105 20 0 FGADMP COC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000312251197 498758725 /nfs/dbraw/zinc/75/87/25/498758725.db2.gz AAILZDHWTQNYMO-IBGZPJMESA-N 2 1 369.509 3.122 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000312251197 498758732 /nfs/dbraw/zinc/75/87/32/498758732.db2.gz AAILZDHWTQNYMO-IBGZPJMESA-N 2 1 369.509 3.122 20 0 FGADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597024 498761296 /nfs/dbraw/zinc/76/12/96/498761296.db2.gz XRGHWPRUDFDJLI-APWZRJJASA-N 2 1 368.477 3.424 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294714542 498780541 /nfs/dbraw/zinc/78/05/41/498780541.db2.gz ZVXJIAKZYYRWIV-UHFFFAOYSA-N 2 1 361.449 3.158 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)cn1 ZINC000287551260 498795382 /nfs/dbraw/zinc/79/53/82/498795382.db2.gz FRRKUCOVNCXMGM-OAHLLOKOSA-N 2 1 373.472 3.037 20 0 FGADMP COc1ccc(F)cc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000291103423 498796351 /nfs/dbraw/zinc/79/63/51/498796351.db2.gz BBVADYFGXRDNKY-UHFFFAOYSA-N 2 1 361.461 3.441 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000581924509 506091391 /nfs/dbraw/zinc/09/13/91/506091391.db2.gz NHJFKNORHSVWFW-QGZVFWFLSA-N 2 1 366.571 3.246 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)[nH+]c1 ZINC000363393372 498796832 /nfs/dbraw/zinc/79/68/32/498796832.db2.gz QORJXDKPMJFVMF-KDURUIRLSA-N 2 1 372.557 3.091 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)[nH+]c1 ZINC000363393372 498796838 /nfs/dbraw/zinc/79/68/38/498796838.db2.gz QORJXDKPMJFVMF-KDURUIRLSA-N 2 1 372.557 3.091 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294910220 498846026 /nfs/dbraw/zinc/84/60/26/498846026.db2.gz AFIHHMLFLCGQHD-DSKINZAPSA-N 2 1 351.494 3.022 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000332994687 498861317 /nfs/dbraw/zinc/86/13/17/498861317.db2.gz MNNNHYALYCHPAG-ISARSNTHSA-N 2 1 372.557 3.401 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)C1)CCCC2 ZINC000332994687 498861323 /nfs/dbraw/zinc/86/13/23/498861323.db2.gz MNNNHYALYCHPAG-ISARSNTHSA-N 2 1 372.557 3.401 20 0 FGADMP CC(=O)c1cccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)c1 ZINC000294956419 498861626 /nfs/dbraw/zinc/86/16/26/498861626.db2.gz KSNATGGTLRXXEY-UHFFFAOYSA-N 2 1 351.494 3.423 20 0 FGADMP CC(=O)c1cccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000294956419 498861631 /nfs/dbraw/zinc/86/16/31/498861631.db2.gz KSNATGGTLRXXEY-UHFFFAOYSA-N 2 1 351.494 3.423 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000283394507 498873226 /nfs/dbraw/zinc/87/32/26/498873226.db2.gz PVULMHRBIVAHGV-RYFAJOAYSA-N 2 1 372.553 3.054 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000295108667 498913373 /nfs/dbraw/zinc/91/33/73/498913373.db2.gz WZYJXYUNQSYXQM-JXFKEZNVSA-N 2 1 361.505 3.342 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]Cc3cccc4[nH]ccc43)CC2)CC1 ZINC000363660361 498928607 /nfs/dbraw/zinc/92/86/07/498928607.db2.gz FFPLWDYAJRPXOV-UHFFFAOYSA-N 3 1 354.542 3.454 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COc1ccc(-c2ccccc2)cc1 ZINC000570201896 506114022 /nfs/dbraw/zinc/11/40/22/506114022.db2.gz MNZMQNDXUALKPX-JOCHJYFZSA-N 2 1 366.505 3.310 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000299471935 499069978 /nfs/dbraw/zinc/06/99/78/499069978.db2.gz YNQFLZAPDCDBAV-IEBWSBKVSA-N 2 1 372.513 3.006 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852759 499139567 /nfs/dbraw/zinc/13/95/67/499139567.db2.gz OMYZBEQLDZHEEJ-LDQXTDLNSA-N 2 1 372.534 3.434 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000369872922 499143090 /nfs/dbraw/zinc/14/30/90/499143090.db2.gz QLJDZNUEYXFYTQ-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872922 499143092 /nfs/dbraw/zinc/14/30/92/499143092.db2.gz QLJDZNUEYXFYTQ-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872922 499143094 /nfs/dbraw/zinc/14/30/94/499143094.db2.gz QLJDZNUEYXFYTQ-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000367110434 499150250 /nfs/dbraw/zinc/15/02/50/499150250.db2.gz NFQOPZGETMAJTI-SFHVURJKSA-N 2 1 365.949 3.068 20 0 FGADMP Cc1ccncc1CCC[N@H+]1CCCN(C(=O)c2ccccc2F)CC1 ZINC000367322368 499181260 /nfs/dbraw/zinc/18/12/60/499181260.db2.gz QKTOQMYZTRVUKI-UHFFFAOYSA-N 2 1 355.457 3.310 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C)c2ncccc2c1 ZINC000579287680 506136684 /nfs/dbraw/zinc/13/66/84/506136684.db2.gz ORYRAGOKTRNTBM-NRFANRHFSA-N 2 1 354.542 3.391 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370189088 499195601 /nfs/dbraw/zinc/19/56/01/499195601.db2.gz NDZDRBOJRNSOPJ-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000370189088 499195603 /nfs/dbraw/zinc/19/56/03/499195603.db2.gz NDZDRBOJRNSOPJ-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP CN(C)C(=O)Sc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370253133 499202261 /nfs/dbraw/zinc/20/22/61/499202261.db2.gz VPDAPSAYIWWJLF-NZSAHSFTSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370253133 499202263 /nfs/dbraw/zinc/20/22/63/499202263.db2.gz VPDAPSAYIWWJLF-NZSAHSFTSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370253133 499202265 /nfs/dbraw/zinc/20/22/65/499202265.db2.gz VPDAPSAYIWWJLF-NZSAHSFTSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370253133 499202267 /nfs/dbraw/zinc/20/22/67/499202267.db2.gz VPDAPSAYIWWJLF-NZSAHSFTSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370253133 499202269 /nfs/dbraw/zinc/20/22/69/499202269.db2.gz VPDAPSAYIWWJLF-NZSAHSFTSA-N 2 1 359.539 3.376 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)C[NH+](C)C ZINC000370300073 499207032 /nfs/dbraw/zinc/20/70/32/499207032.db2.gz HYGAPDSBOFXYBV-ZMSDIMECSA-N 2 1 366.575 3.016 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577673 499233131 /nfs/dbraw/zinc/23/31/31/499233131.db2.gz KZFMAIGHTJCCIF-PTUXOGIPSA-N 3 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577673 499233133 /nfs/dbraw/zinc/23/31/33/499233133.db2.gz KZFMAIGHTJCCIF-PTUXOGIPSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000370632438 499237599 /nfs/dbraw/zinc/23/75/99/499237599.db2.gz ASOWUEZBYLUNNQ-ZACQAIPSSA-N 2 1 365.587 3.462 20 0 FGADMP C[C@H]1C[C@@H](CNCc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368030777 499257344 /nfs/dbraw/zinc/25/73/44/499257344.db2.gz PMBAHCALPDGMLE-RDJZCZTQSA-N 2 1 373.522 3.189 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCn3ccc4cc(Cl)ccc43)CC2)C1 ZINC000368130826 499267405 /nfs/dbraw/zinc/26/74/05/499267405.db2.gz GTFSLCAJXVWTRV-LJQANCHMSA-N 2 1 360.933 3.007 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000371080113 499286787 /nfs/dbraw/zinc/28/67/87/499286787.db2.gz JXJKADUWCCDGGC-BQYQJAHWSA-N 2 1 355.526 3.012 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc(Cl)c3)CC2)CC1 ZINC000371081944 499287001 /nfs/dbraw/zinc/28/70/01/499287001.db2.gz UINRMZQQXHUWPA-UHFFFAOYSA-N 2 1 363.933 3.266 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242690 499301693 /nfs/dbraw/zinc/30/16/93/499301693.db2.gz HKILLKJBQWLIJE-CTNGQTDRSA-N 2 1 373.516 3.028 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000371491426 499334061 /nfs/dbraw/zinc/33/40/61/499334061.db2.gz PSVXMLJAXYIJRT-HUUCEWRRSA-N 2 1 360.889 3.393 20 0 FGADMP CCc1nn(C)c(Cl)c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368814002 499335506 /nfs/dbraw/zinc/33/55/06/499335506.db2.gz NHPAGABNVOEGNA-UHFFFAOYSA-N 2 1 361.921 3.379 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c1 ZINC000371762622 499362924 /nfs/dbraw/zinc/36/29/24/499362924.db2.gz MMGMBTPDIPGFSP-PKOBYXMFSA-N 2 1 357.523 3.233 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369269224 499385652 /nfs/dbraw/zinc/38/56/52/499385652.db2.gz VTVJWZDJIBRRMQ-OXJNMPFZSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369269224 499385653 /nfs/dbraw/zinc/38/56/53/499385653.db2.gz VTVJWZDJIBRRMQ-OXJNMPFZSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515169 499411361 /nfs/dbraw/zinc/41/13/61/499411361.db2.gz HQMUKSDWYZBQPU-AYBZRNKSSA-N 2 1 374.554 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515169 499411364 /nfs/dbraw/zinc/41/13/64/499411364.db2.gz HQMUKSDWYZBQPU-AYBZRNKSSA-N 2 1 374.554 3.128 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417069 499432200 /nfs/dbraw/zinc/43/22/00/499432200.db2.gz UDDBDJXFZLDQCQ-HXUWFJFHSA-N 2 1 365.525 3.140 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417069 499432202 /nfs/dbraw/zinc/43/22/02/499432202.db2.gz UDDBDJXFZLDQCQ-HXUWFJFHSA-N 2 1 365.525 3.140 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417069 499432203 /nfs/dbraw/zinc/43/22/03/499432203.db2.gz UDDBDJXFZLDQCQ-HXUWFJFHSA-N 2 1 365.525 3.140 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000372417069 499432205 /nfs/dbraw/zinc/43/22/05/499432205.db2.gz UDDBDJXFZLDQCQ-HXUWFJFHSA-N 2 1 365.525 3.140 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000369766950 499441704 /nfs/dbraw/zinc/44/17/04/499441704.db2.gz PACVCTHEXWMSEQ-RBBKRZOGSA-N 2 1 359.558 3.030 20 0 FGADMP CCCc1cccc(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)c1 ZINC000373459604 499471158 /nfs/dbraw/zinc/47/11/58/499471158.db2.gz MSMQTWWXLFRVEC-UHFFFAOYSA-N 2 1 369.557 3.113 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000373673201 499482961 /nfs/dbraw/zinc/48/29/61/499482961.db2.gz RBLFQPQAZVHZTE-QGZVFWFLSA-N 2 1 371.516 3.077 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)oc1C ZINC000378294152 499498824 /nfs/dbraw/zinc/49/88/24/499498824.db2.gz ORQHVDXJUVZNEF-DFQSSKMNSA-N 2 1 359.514 3.051 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378294871 499498848 /nfs/dbraw/zinc/49/88/48/499498848.db2.gz RAOIUXWDNGHQCP-NRSPTQNISA-N 2 1 355.526 3.032 20 0 FGADMP CCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000378370966 499508242 /nfs/dbraw/zinc/50/82/42/499508242.db2.gz MPGKXGUIFPHCQS-WSTZPKSXSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1OC ZINC000378370966 499508243 /nfs/dbraw/zinc/50/82/43/499508243.db2.gz MPGKXGUIFPHCQS-WSTZPKSXSA-N 2 1 362.514 3.168 20 0 FGADMP C[C@H]1C[N@@H+](CCCCCOc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375356716 499510429 /nfs/dbraw/zinc/51/04/29/499510429.db2.gz OIVLFXPCFBCGHB-UNMCSNQZSA-N 2 1 359.558 3.194 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000378398540 499512292 /nfs/dbraw/zinc/51/22/92/499512292.db2.gz GKPDMZSHNGMYPZ-RYFAJOAYSA-N 2 1 374.569 3.268 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614915 499537722 /nfs/dbraw/zinc/53/77/22/499537722.db2.gz FQIYGMWCFFYTPK-VAKZPMALSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614915 499537723 /nfs/dbraw/zinc/53/77/23/499537723.db2.gz FQIYGMWCFFYTPK-VAKZPMALSA-N 2 1 359.514 3.185 20 0 FGADMP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381942243 499545213 /nfs/dbraw/zinc/54/52/13/499545213.db2.gz ZFFSXIMUTSGDCO-QAPCUYQASA-N 2 1 366.431 3.446 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000382766715 499546015 /nfs/dbraw/zinc/54/60/15/499546015.db2.gz VYQZYAKNTYFJFW-IPJJNNNSSA-N 2 1 365.521 3.446 20 0 FGADMP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390942965 499556257 /nfs/dbraw/zinc/55/62/57/499556257.db2.gz RLZACFICEGHHJO-RAFMOHDBSA-N 2 1 355.526 3.076 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H]2CCC[C@H]21 ZINC000375854597 499562522 /nfs/dbraw/zinc/56/25/22/499562522.db2.gz UWCZDOFXVNDLDY-PCCBWWKXSA-N 2 1 364.493 3.296 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000375889903 499565243 /nfs/dbraw/zinc/56/52/43/499565243.db2.gz LSZZAZDYWRYLPB-LJQANCHMSA-N 2 1 372.944 3.489 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4nc3Cl)C2)CC1 ZINC000375889903 499565245 /nfs/dbraw/zinc/56/52/45/499565245.db2.gz LSZZAZDYWRYLPB-LJQANCHMSA-N 2 1 372.944 3.489 20 0 FGADMP CCC[N@H+](Cc1cnccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000376508911 499613811 /nfs/dbraw/zinc/61/38/11/499613811.db2.gz YDEDYMJLAYCMID-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1cnccc1OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000376508911 499613812 /nfs/dbraw/zinc/61/38/12/499613812.db2.gz YDEDYMJLAYCMID-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000376605642 499622418 /nfs/dbraw/zinc/62/24/18/499622418.db2.gz GRUUITFJFXFKAW-ZWRCUJBNSA-N 2 1 364.578 3.010 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000376633123 499624737 /nfs/dbraw/zinc/62/47/37/499624737.db2.gz CJRZGWBBQZNTHP-VMXMFDLUSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000377535191 499701625 /nfs/dbraw/zinc/70/16/25/499701625.db2.gz CREJAWYSTCXBCV-UBDVDIHFSA-N 2 1 355.526 3.029 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000377559467 499704521 /nfs/dbraw/zinc/70/45/21/499704521.db2.gz DEVUDLGIXLYRCI-SFHVURJKSA-N 2 1 359.445 3.165 20 0 FGADMP COc1ccccc1[C@@H]([NH2+]CCCc1cnccc1C)c1nccn1C ZINC000377613041 499710334 /nfs/dbraw/zinc/71/03/34/499710334.db2.gz CXMJPNPQTJDTDZ-HXUWFJFHSA-N 2 1 350.466 3.444 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000377658154 499716562 /nfs/dbraw/zinc/71/65/62/499716562.db2.gz WTNZDUNXYUQDKU-QGZVFWFLSA-N 2 1 370.497 3.113 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(CC[NH+](C)C)Cc3ccco3)sc2C1 ZINC000377669219 499717390 /nfs/dbraw/zinc/71/73/90/499717390.db2.gz DGCDTSGUWVYOBN-UHFFFAOYSA-N 2 1 362.543 3.066 20 0 FGADMP CN1CCN([C@@H]2CCCC[N@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680476 499719114 /nfs/dbraw/zinc/71/91/14/499719114.db2.gz VQARIAXDSISRBN-CTNGQTDRSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680476 499719116 /nfs/dbraw/zinc/71/91/16/499719116.db2.gz VQARIAXDSISRBN-CTNGQTDRSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680476 499719118 /nfs/dbraw/zinc/71/91/18/499719118.db2.gz VQARIAXDSISRBN-CTNGQTDRSA-N 2 1 359.583 3.119 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000377695567 499721228 /nfs/dbraw/zinc/72/12/28/499721228.db2.gz MJUHTWLJLGKPTK-DENIHFKCSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377695567 499721229 /nfs/dbraw/zinc/72/12/29/499721229.db2.gz MJUHTWLJLGKPTK-DENIHFKCSA-N 2 1 357.542 3.175 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377695567 499721230 /nfs/dbraw/zinc/72/12/30/499721230.db2.gz MJUHTWLJLGKPTK-DENIHFKCSA-N 2 1 357.542 3.175 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377701484 499721974 /nfs/dbraw/zinc/72/19/74/499721974.db2.gz SZYOUVMHDQRYLB-IRXDYDNUSA-N 2 1 352.482 3.265 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377701484 499721977 /nfs/dbraw/zinc/72/19/77/499721977.db2.gz SZYOUVMHDQRYLB-IRXDYDNUSA-N 2 1 352.482 3.265 20 0 FGADMP CN1c2ccc(C[N@@H+](C)C3CCN(c4cc[nH+]cc4)CC3)cc2CCC1=O ZINC000377705947 499723164 /nfs/dbraw/zinc/72/31/64/499723164.db2.gz SPMQVPGBKKLWJA-UHFFFAOYSA-N 2 1 364.493 3.091 20 0 FGADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377716986 499724722 /nfs/dbraw/zinc/72/47/22/499724722.db2.gz HKHWSQINNYPYAO-GOSISDBHSA-N 2 1 362.518 3.161 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(Cl)cc1F)CC2 ZINC000411440986 499741000 /nfs/dbraw/zinc/74/10/00/499741000.db2.gz ILMRPIJEBYLNQZ-UHFFFAOYSA-N 2 1 353.869 3.368 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(Cl)cc1F)CC2 ZINC000411440986 499741001 /nfs/dbraw/zinc/74/10/01/499741001.db2.gz ILMRPIJEBYLNQZ-UHFFFAOYSA-N 2 1 353.869 3.368 20 0 FGADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1CCN(CCc2ccncc2)CC1 ZINC000377923641 499748433 /nfs/dbraw/zinc/74/84/33/499748433.db2.gz QSRBVWKABHAPQO-UHFFFAOYSA-N 2 1 365.481 3.204 20 0 FGADMP CN(Cc1ccc(-c2cc[nH]n2)o1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377923641 499748434 /nfs/dbraw/zinc/74/84/34/499748434.db2.gz QSRBVWKABHAPQO-UHFFFAOYSA-N 2 1 365.481 3.204 20 0 FGADMP CC(CC[NH+](C)[C@H](C)c1cnn(C)c1)CC[N@@H+](C)[C@H](C)c1cnn(C)c1 ZINC000411506519 499748893 /nfs/dbraw/zinc/74/88/93/499748893.db2.gz YIKSTEJRIAUFFM-QZTJIDSGSA-N 2 1 360.550 3.256 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000411548612 499753645 /nfs/dbraw/zinc/75/36/45/499753645.db2.gz FLLXEMIRZHBCQQ-WMZOPIPTSA-N 2 1 351.560 3.197 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000411548609 499753689 /nfs/dbraw/zinc/75/36/89/499753689.db2.gz FLLXEMIRZHBCQQ-FUHWJXTLSA-N 2 1 351.560 3.197 20 0 FGADMP C[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000377988422 499753720 /nfs/dbraw/zinc/75/37/20/499753720.db2.gz CDTZOKYZMHQMFQ-APWZRJJASA-N 2 1 369.509 3.163 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299571 499775502 /nfs/dbraw/zinc/77/55/02/499775502.db2.gz UHINCXIEHQXSPN-IOMROCGXSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCCOC2)O1 ZINC000411674681 499775993 /nfs/dbraw/zinc/77/59/93/499775993.db2.gz IWKPIKIPJSBPBC-UGKGYDQZSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCCOC2)O1 ZINC000411674681 499775995 /nfs/dbraw/zinc/77/59/95/499775995.db2.gz IWKPIKIPJSBPBC-UGKGYDQZSA-N 2 1 358.526 3.442 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000576440535 506158884 /nfs/dbraw/zinc/15/88/84/506158884.db2.gz RAIMPKQHXMERSG-MSOLQXFVSA-N 2 1 360.546 3.240 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000576440789 506159342 /nfs/dbraw/zinc/15/93/42/506159342.db2.gz RUJRAGKOJJDLHU-FQEVSTJZSA-N 2 1 374.573 3.065 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000576440789 506159345 /nfs/dbraw/zinc/15/93/45/506159345.db2.gz RUJRAGKOJJDLHU-FQEVSTJZSA-N 2 1 374.573 3.065 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000576440789 506159348 /nfs/dbraw/zinc/15/93/48/506159348.db2.gz RUJRAGKOJJDLHU-FQEVSTJZSA-N 2 1 374.573 3.065 20 0 FGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695498 499821135 /nfs/dbraw/zinc/82/11/35/499821135.db2.gz OXSFXUFVCQRLLH-LEWJYISDSA-N 2 1 359.558 3.307 20 0 FGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752562 499826705 /nfs/dbraw/zinc/82/67/05/499826705.db2.gz UTTRMVMHUFIYAQ-DOTOQJQBSA-N 2 1 350.482 3.033 20 0 FGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752562 499826706 /nfs/dbraw/zinc/82/67/06/499826706.db2.gz UTTRMVMHUFIYAQ-DOTOQJQBSA-N 2 1 350.482 3.033 20 0 FGADMP C[C@@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753828 499826716 /nfs/dbraw/zinc/82/67/16/499826716.db2.gz NAVZACBUABYYNH-OLZOCXBDSA-N 2 1 370.324 3.110 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774666 499829731 /nfs/dbraw/zinc/82/97/31/499829731.db2.gz FREQCBNUISEODW-ZIAGYGMSSA-N 2 1 353.304 3.279 20 0 FGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778556 499830296 /nfs/dbraw/zinc/83/02/96/499830296.db2.gz JBPFWDCOULUABX-KGLIPLIRSA-N 2 1 353.304 3.279 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414783814 499830804 /nfs/dbraw/zinc/83/08/04/499830804.db2.gz QPQUUWOJNXHRAF-MSOLQXFVSA-N 2 1 356.489 3.450 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787215 499831123 /nfs/dbraw/zinc/83/11/23/499831123.db2.gz VKCPAWIMLQYNNH-SFTDATJTSA-N 2 1 352.526 3.370 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820403 499834453 /nfs/dbraw/zinc/83/44/53/499834453.db2.gz ASWFEIAIYKUADI-ZYHUDNBSSA-N 2 1 363.811 3.418 20 0 FGADMP COc1ccc([C@@H]2CCNC[C@H]2[NH2+]Cc2cc(OC)c(OC)cc2C)cc1 ZINC000414884946 499841303 /nfs/dbraw/zinc/84/13/03/499841303.db2.gz OOTNNQZAUDVATE-VQTJNVASSA-N 2 1 370.493 3.256 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412291535 499841790 /nfs/dbraw/zinc/84/17/90/499841790.db2.gz LCUIKODVZIOSMY-NRFANRHFSA-N 2 1 355.526 3.419 20 0 FGADMP CCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc(Br)c1OC ZINC000414943222 499847250 /nfs/dbraw/zinc/84/72/50/499847250.db2.gz NOCUAENBLCRSAC-UHFFFAOYSA-N 2 1 357.292 3.088 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358805 499848573 /nfs/dbraw/zinc/84/85/73/499848573.db2.gz JIIMLTXAUOGPLJ-IPJJNNNSSA-N 2 1 369.553 3.475 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[NH2+][C@@H](C)C3)c2)cc1 ZINC000414958377 499849068 /nfs/dbraw/zinc/84/90/68/499849068.db2.gz WQCJUWPEFYEBKX-MAUKXSAKSA-N 2 1 353.466 3.178 20 0 FGADMP Cc1cccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415043798 499857694 /nfs/dbraw/zinc/85/76/94/499857694.db2.gz UQDQBGLXAPXSPC-XVAYZXCPSA-N 2 1 362.452 3.294 20 0 FGADMP [NH3+]C[C@H]([NH2+]Cc1cc(Br)c2c(c1)OCCCO2)C1CCCC1 ZINC000415061711 499859620 /nfs/dbraw/zinc/85/96/20/499859620.db2.gz DDHXRYDEPNRHDY-HNNXBMFYSA-N 2 1 369.303 3.218 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072840 499860785 /nfs/dbraw/zinc/86/07/85/499860785.db2.gz XDGXIFPMBWHKHO-UHFFFAOYSA-N 2 1 363.303 3.175 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073038 499860962 /nfs/dbraw/zinc/86/09/62/499860962.db2.gz YVVDOQVXHDBIHO-BLLLJJGKSA-N 2 1 368.319 3.273 20 0 FGADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415101314 499863747 /nfs/dbraw/zinc/86/37/47/499863747.db2.gz HRDWPSDWAVUPFQ-GHTZIAJQSA-N 2 1 372.557 3.073 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000415112550 499865150 /nfs/dbraw/zinc/86/51/50/499865150.db2.gz SJVKUELMJKOWEG-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000415121524 499866151 /nfs/dbraw/zinc/86/61/51/499866151.db2.gz IKSUITYZVQNPBV-PBHICJAKSA-N 2 1 371.294 3.307 20 0 FGADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415121239 499866164 /nfs/dbraw/zinc/86/61/64/499866164.db2.gz HVBRDFZIQZMPAE-UHFFFAOYSA-N 2 1 355.198 3.389 20 0 FGADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000415121239 499866166 /nfs/dbraw/zinc/86/61/66/499866166.db2.gz HVBRDFZIQZMPAE-UHFFFAOYSA-N 2 1 355.198 3.389 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H]1C[NH3+] ZINC000415133355 499868477 /nfs/dbraw/zinc/86/84/77/499868477.db2.gz VBXYAQQZSQMUOW-ZFWWWQNUSA-N 2 1 352.404 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886437 499924524 /nfs/dbraw/zinc/92/45/24/499924524.db2.gz UXWLBMUGRYFCOJ-MSOLQXFVSA-N 2 1 370.541 3.451 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415930018 499929728 /nfs/dbraw/zinc/92/97/28/499929728.db2.gz ZNHYUUIHQXVVRT-OXJNMPFZSA-N 2 1 352.482 3.048 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415930022 499929759 /nfs/dbraw/zinc/92/97/59/499929759.db2.gz ZNHYUUIHQXVVRT-UZLBHIALSA-N 2 1 352.482 3.048 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000415933289 499930199 /nfs/dbraw/zinc/93/01/99/499930199.db2.gz PKLKUXPNACMQEE-VQTJNVASSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415943772 499931547 /nfs/dbraw/zinc/93/15/47/499931547.db2.gz MZABMAJTFAVKPJ-DYESRHJHSA-N 2 1 366.509 3.438 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)C2)C1 ZINC000415965963 499934773 /nfs/dbraw/zinc/93/47/73/499934773.db2.gz FWRRAJQQRNGOHS-QGZVFWFLSA-N 2 1 370.419 3.114 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000415967895 499934941 /nfs/dbraw/zinc/93/49/41/499934941.db2.gz BNMJIUPIHKYJAX-UHFFFAOYSA-N 2 1 366.509 3.318 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415966828 499934964 /nfs/dbraw/zinc/93/49/64/499934964.db2.gz AQGWTVCEFRLXHV-FQEVSTJZSA-N 2 1 366.509 3.392 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000415988909 499937946 /nfs/dbraw/zinc/93/79/46/499937946.db2.gz JXDGYXYDMCXDBG-SFHVURJKSA-N 2 1 360.889 3.484 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050948 499958169 /nfs/dbraw/zinc/95/81/69/499958169.db2.gz YKGIFLSYPYWOJZ-UYAOXDASSA-N 2 1 360.546 3.278 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417103365 499973497 /nfs/dbraw/zinc/97/34/97/499973497.db2.gz DAQCPBOGDGEBGV-LAUBAEHRSA-N 2 1 366.509 3.170 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429026179 499987254 /nfs/dbraw/zinc/98/72/54/499987254.db2.gz CJUMKSNBPYXTTO-UGKGYDQZSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429026179 499987258 /nfs/dbraw/zinc/98/72/58/499987258.db2.gz CJUMKSNBPYXTTO-UGKGYDQZSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429026179 499987262 /nfs/dbraw/zinc/98/72/62/499987262.db2.gz CJUMKSNBPYXTTO-UGKGYDQZSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429026179 499987264 /nfs/dbraw/zinc/98/72/64/499987264.db2.gz CJUMKSNBPYXTTO-UGKGYDQZSA-N 2 1 360.542 3.060 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240877 500015589 /nfs/dbraw/zinc/01/55/89/500015589.db2.gz QDEDDZLHOZIGCI-MJGOQNOKSA-N 2 1 360.546 3.276 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311220 500036124 /nfs/dbraw/zinc/03/61/24/500036124.db2.gz LNUVASHHJRMHBV-ROPHOZQPSA-N 2 1 356.535 3.467 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417311220 500036128 /nfs/dbraw/zinc/03/61/28/500036128.db2.gz LNUVASHHJRMHBV-ROPHOZQPSA-N 2 1 356.535 3.467 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000429261446 500036915 /nfs/dbraw/zinc/03/69/15/500036915.db2.gz QBOXGPKFVAAVTM-UHFFFAOYSA-N 2 1 356.514 3.125 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C)Cc1ccccc1C ZINC000429261446 500036921 /nfs/dbraw/zinc/03/69/21/500036921.db2.gz QBOXGPKFVAAVTM-UHFFFAOYSA-N 2 1 356.514 3.125 20 0 FGADMP C[NH2+]C1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000429398866 500070230 /nfs/dbraw/zinc/07/02/30/500070230.db2.gz AVAHXNKYPZPWLJ-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425367209 500086618 /nfs/dbraw/zinc/08/66/18/500086618.db2.gz BNSFBDCYBGDCAS-HXUWFJFHSA-N 2 1 352.482 3.357 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)c(F)c1 ZINC000413901321 500090836 /nfs/dbraw/zinc/09/08/36/500090836.db2.gz MUOVHLKZIHIASO-IBGZPJMESA-N 2 1 363.477 3.112 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541383 500096975 /nfs/dbraw/zinc/09/69/75/500096975.db2.gz OUKANZWKCDBLHP-GJZGRUSLSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541383 500096979 /nfs/dbraw/zinc/09/69/79/500096979.db2.gz OUKANZWKCDBLHP-GJZGRUSLSA-N 2 1 361.313 3.149 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1)C1CC1 ZINC000429595091 500110185 /nfs/dbraw/zinc/11/01/85/500110185.db2.gz ZALVGQATVMMRLE-UHFFFAOYSA-N 2 1 355.526 3.275 20 0 FGADMP COC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502815 500126883 /nfs/dbraw/zinc/12/68/83/500126883.db2.gz DCDACEAQAVRVMN-BPQIPLTHSA-N 2 1 366.452 3.028 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502815 500126885 /nfs/dbraw/zinc/12/68/85/500126885.db2.gz DCDACEAQAVRVMN-BPQIPLTHSA-N 2 1 366.452 3.028 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502815 500126888 /nfs/dbraw/zinc/12/68/88/500126888.db2.gz DCDACEAQAVRVMN-BPQIPLTHSA-N 2 1 366.452 3.028 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(F)cc1F ZINC000425502815 500126891 /nfs/dbraw/zinc/12/68/91/500126891.db2.gz DCDACEAQAVRVMN-BPQIPLTHSA-N 2 1 366.452 3.028 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@@H]2c2ccccc2)CC1 ZINC000425544659 500140326 /nfs/dbraw/zinc/14/03/26/500140326.db2.gz RCQXZARGLCUFNF-HXUWFJFHSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582290213 506178290 /nfs/dbraw/zinc/17/82/90/506178290.db2.gz SXNXWUVQADPOPY-JXFKEZNVSA-N 2 1 358.530 3.082 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000414064448 500142813 /nfs/dbraw/zinc/14/28/13/500142813.db2.gz FUIMQEISFHIKAY-QZTJIDSGSA-N 2 1 369.509 3.032 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000414064448 500142816 /nfs/dbraw/zinc/14/28/16/500142816.db2.gz FUIMQEISFHIKAY-QZTJIDSGSA-N 2 1 369.509 3.032 20 0 FGADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421834320 500161984 /nfs/dbraw/zinc/16/19/84/500161984.db2.gz CAVLPCSZRIBLCY-GHTZIAJQSA-N 2 1 360.542 3.471 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)c(F)c1 ZINC000421838582 500162011 /nfs/dbraw/zinc/16/20/11/500162011.db2.gz VOQOJBGZHRSYML-UZLBHIALSA-N 2 1 350.478 3.112 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000421867965 500166111 /nfs/dbraw/zinc/16/61/11/500166111.db2.gz PTWBJWRMFCWTPW-ZIBCJSCZSA-N 2 1 358.526 3.071 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416969952 500170160 /nfs/dbraw/zinc/17/01/60/500170160.db2.gz MFWVZGSNCAWITI-CTNGQTDRSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000416972101 500171423 /nfs/dbraw/zinc/17/14/23/500171423.db2.gz HVUBLYUFPKZGGN-QGZVFWFLSA-N 2 1 358.530 3.002 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416977560 500173470 /nfs/dbraw/zinc/17/34/70/500173470.db2.gz QDBINEZWTRWUEE-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)C1 ZINC000416981254 500174574 /nfs/dbraw/zinc/17/45/74/500174574.db2.gz CJUPXXORYHYPDX-JWWGGVBKSA-N 2 1 372.557 3.091 20 0 FGADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425668944 500175299 /nfs/dbraw/zinc/17/52/99/500175299.db2.gz BEFPOUCEICCDSE-HZPDHXFCSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@@H]1[C@@H](C)N(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCN1C ZINC000425668944 500175300 /nfs/dbraw/zinc/17/53/00/500175300.db2.gz BEFPOUCEICCDSE-HZPDHXFCSA-N 2 1 367.497 3.443 20 0 FGADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000416990115 500177238 /nfs/dbraw/zinc/17/72/38/500177238.db2.gz MYOHRIOIUUAGQA-UEXGIBASSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)cc2)C1 ZINC000416993438 500178749 /nfs/dbraw/zinc/17/87/49/500178749.db2.gz QFYYOQQOODTBAJ-TWFHAPMSSA-N 2 1 372.557 3.104 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417827170 500179718 /nfs/dbraw/zinc/17/97/18/500179718.db2.gz CWIYCZHVDJVQBV-MJGOQNOKSA-N 2 1 358.530 3.000 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000417850267 500183777 /nfs/dbraw/zinc/18/37/77/500183777.db2.gz DUFDAURAHUKJME-KBAYOESNSA-N 2 1 369.513 3.306 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCOC[C@@H](C3CCC3)C2)CC1 ZINC000430132538 500197441 /nfs/dbraw/zinc/19/74/41/500197441.db2.gz CHRDXCWGBCCUQD-NRFANRHFSA-N 2 1 357.542 3.077 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)c3cccc(SC)c3)CC2)CC1 ZINC000422013400 500198056 /nfs/dbraw/zinc/19/80/56/500198056.db2.gz FJIKVESTJBIJIW-UHFFFAOYSA-N 2 1 361.555 3.041 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000417980048 500208209 /nfs/dbraw/zinc/20/82/09/500208209.db2.gz JSVUUSFWDXNMMP-IAGOWNOFSA-N 2 1 354.498 3.026 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983789 500209469 /nfs/dbraw/zinc/20/94/69/500209469.db2.gz CPRAXSFFPLJQRX-RLCCDNCMSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983789 500209473 /nfs/dbraw/zinc/20/94/73/500209473.db2.gz CPRAXSFFPLJQRX-RLCCDNCMSA-N 2 1 370.900 3.039 20 0 FGADMP CCCN(C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987102 500210066 /nfs/dbraw/zinc/21/00/66/500210066.db2.gz GBECJEPSYBAWIR-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C[NH+]1Cc1ccccc1 ZINC000422186681 500229380 /nfs/dbraw/zinc/22/93/80/500229380.db2.gz RTEUHSYUROVOIU-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@H]2CCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000422186681 500229384 /nfs/dbraw/zinc/22/93/84/500229384.db2.gz RTEUHSYUROVOIU-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)C[C@H]2CCC[NH+]2C)C[N@H+]1Cc1ccccc1 ZINC000422186681 500229386 /nfs/dbraw/zinc/22/93/86/500229386.db2.gz RTEUHSYUROVOIU-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP COC1(C(F)(F)F)CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000418101942 500229642 /nfs/dbraw/zinc/22/96/42/500229642.db2.gz SWDNGAPERMWEFZ-UHFFFAOYSA-N 2 1 354.376 3.119 20 0 FGADMP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143590 500236377 /nfs/dbraw/zinc/23/63/77/500236377.db2.gz QRBKBLAHDDKSRU-OAQYLSRUSA-N 2 1 372.557 3.344 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418153809 500238222 /nfs/dbraw/zinc/23/82/22/500238222.db2.gz JGQHCTYEAZPXEG-AABGKKOBSA-N 2 1 372.557 3.104 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000426225370 500249973 /nfs/dbraw/zinc/24/99/73/500249973.db2.gz DTEZVLDAHWDVMQ-GXRSIYKFSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572649 500256475 /nfs/dbraw/zinc/25/64/75/500256475.db2.gz PZQKGJMKJFVHPM-VLCRHTCISA-N 2 1 365.521 3.146 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572649 500256477 /nfs/dbraw/zinc/25/64/77/500256477.db2.gz PZQKGJMKJFVHPM-VLCRHTCISA-N 2 1 365.521 3.146 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430587473 500259388 /nfs/dbraw/zinc/25/93/88/500259388.db2.gz WDLBMEVSGBUBRV-CUWPLCDZSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000430587473 500259391 /nfs/dbraw/zinc/25/93/91/500259391.db2.gz WDLBMEVSGBUBRV-CUWPLCDZSA-N 2 1 373.541 3.198 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430619675 500262899 /nfs/dbraw/zinc/26/28/99/500262899.db2.gz AHHGFZSACDTUTA-UWJYYQICSA-N 2 1 371.550 3.275 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418410216 500273382 /nfs/dbraw/zinc/27/33/82/500273382.db2.gz OMLUDZRABQCSBA-NHCUHLMSSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000418457116 500279106 /nfs/dbraw/zinc/27/91/06/500279106.db2.gz GNAASDQQRADVKV-SFHVURJKSA-N 2 1 366.509 3.124 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503848 500285840 /nfs/dbraw/zinc/28/58/40/500285840.db2.gz ZUCJJLGKTPIHPI-LAUBAEHRSA-N 2 1 368.525 3.213 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422697153 500287268 /nfs/dbraw/zinc/28/72/68/500287268.db2.gz UAPVKYWCIKYTQK-RBUKOAKNSA-N 3 1 363.546 3.165 20 0 FGADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422710842 500288553 /nfs/dbraw/zinc/28/85/53/500288553.db2.gz LRRADDBADWIVCB-XIRDDKMYSA-N 2 1 352.320 3.148 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727682 500290978 /nfs/dbraw/zinc/29/09/78/500290978.db2.gz DBUWVZOKMZWEHW-GOTSBHOMSA-N 2 1 371.569 3.308 20 0 FGADMP CC[C@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726518 500291092 /nfs/dbraw/zinc/29/10/92/500291092.db2.gz FBZWHEFATAMTTE-JQFCIGGWSA-N 2 1 357.420 3.284 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739827 500292619 /nfs/dbraw/zinc/29/26/19/500292619.db2.gz LXOYWDHRNHOLGP-UZKOGDIHSA-N 2 1 357.542 3.487 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739827 500292621 /nfs/dbraw/zinc/29/26/21/500292621.db2.gz LXOYWDHRNHOLGP-UZKOGDIHSA-N 2 1 357.542 3.487 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418602960 500295886 /nfs/dbraw/zinc/29/58/86/500295886.db2.gz WFLFQBOSQSKOOQ-UIFIKXQLSA-N 2 1 372.557 3.198 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792106 500298197 /nfs/dbraw/zinc/29/81/97/500298197.db2.gz WYZUZRPKHIFNOZ-MLGOLLRUSA-N 2 1 353.297 3.348 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCCC[C@H]3N)CC2)c1 ZINC000422815503 500302198 /nfs/dbraw/zinc/30/21/98/500302198.db2.gz XRLRVWBLXMYAQN-YADHBBJMSA-N 2 1 358.574 3.147 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422837101 500303856 /nfs/dbraw/zinc/30/38/56/500303856.db2.gz LJKZHGXWWKAICH-SGXKBVARSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422837101 500303859 /nfs/dbraw/zinc/30/38/59/500303859.db2.gz LJKZHGXWWKAICH-SGXKBVARSA-N 3 1 352.526 3.410 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000422836815 500303931 /nfs/dbraw/zinc/30/39/31/500303931.db2.gz SEOCKDPBRRIZEI-HZPDHXFCSA-N 2 1 350.388 3.059 20 0 FGADMP OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422840518 500304029 /nfs/dbraw/zinc/30/40/29/500304029.db2.gz TVVPSJYUUIVKGU-YTFSRNRJSA-N 2 1 371.569 3.044 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422852785 500305926 /nfs/dbraw/zinc/30/59/26/500305926.db2.gz BHVSGWWIFCXLHI-AOIWGVFYSA-N 2 1 358.530 3.127 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@H](C)c3c[nH+]ccc3N)CCOCC2)cc1 ZINC000422880859 500310120 /nfs/dbraw/zinc/31/01/20/500310120.db2.gz PBUVLHWORZZZBO-MRXNPFEDSA-N 2 1 355.482 3.292 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418715876 500311951 /nfs/dbraw/zinc/31/19/51/500311951.db2.gz BPOYHTCFPUKGRB-NJYVYQBISA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903406 500314135 /nfs/dbraw/zinc/31/41/35/500314135.db2.gz OMRMMGSABLHUPM-YJSIEXFISA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c2)CCO1 ZINC000422903406 500314138 /nfs/dbraw/zinc/31/41/38/500314138.db2.gz OMRMMGSABLHUPM-YJSIEXFISA-N 3 1 371.569 3.308 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000431033582 500326535 /nfs/dbraw/zinc/32/65/35/500326535.db2.gz JATKFNGNGSGRBZ-KRWDZBQOSA-N 2 1 370.541 3.230 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422979813 500326716 /nfs/dbraw/zinc/32/67/16/500326716.db2.gz KJIKTPXHKUMHQN-KSSFIOAISA-N 2 1 370.884 3.481 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccn1 ZINC000422982100 500327136 /nfs/dbraw/zinc/32/71/36/500327136.db2.gz VNIKBVKCRIKMHA-NBYUQASBSA-N 2 1 361.530 3.142 20 0 FGADMP CCc1ccc([C@H](COC)[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)o1 ZINC000422990341 500327550 /nfs/dbraw/zinc/32/75/50/500327550.db2.gz BSLAGQWSGFAHNF-BBTUJRGHSA-N 2 1 356.466 3.375 20 0 FGADMP C[C@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423013715 500330728 /nfs/dbraw/zinc/33/07/28/500330728.db2.gz NKBIIZYDSLGFHR-GWCFXTLKSA-N 2 1 351.800 3.253 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)nc12 ZINC000423040727 500334517 /nfs/dbraw/zinc/33/45/17/500334517.db2.gz UYIHYKKAMSZZLP-LBPRGKRZSA-N 2 1 374.286 3.106 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097111 500341769 /nfs/dbraw/zinc/34/17/69/500341769.db2.gz AJDXTUKLJGOTGK-MBSDFSHPSA-N 3 1 367.537 3.208 20 0 FGADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097111 500341770 /nfs/dbraw/zinc/34/17/70/500341770.db2.gz AJDXTUKLJGOTGK-MBSDFSHPSA-N 2 1 367.537 3.208 20 0 FGADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423124846 500345260 /nfs/dbraw/zinc/34/52/60/500345260.db2.gz MTTFNPRCANVXAC-AUNMJURBSA-N 2 1 354.425 3.493 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144506 500347682 /nfs/dbraw/zinc/34/76/82/500347682.db2.gz HGPIPTOWTZLDOS-VCOUNFBDSA-N 2 1 357.542 3.342 20 0 FGADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423169075 500350724 /nfs/dbraw/zinc/35/07/24/500350724.db2.gz YZJBBJIFMWMBEQ-RLFYNMQTSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423192193 500353412 /nfs/dbraw/zinc/35/34/12/500353412.db2.gz UQXVKOHZBNXOQL-HNNXBMFYSA-N 2 1 352.482 3.142 20 0 FGADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423268970 500360512 /nfs/dbraw/zinc/36/05/12/500360512.db2.gz GRONVJMHCNOFTB-ZANVPECISA-N 2 1 350.219 3.064 20 0 FGADMP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CC(C)(C)[NH3+])s2)cc1OC ZINC000423287727 500362006 /nfs/dbraw/zinc/36/20/06/500362006.db2.gz OBOPUCSQKYHFQG-LBPRGKRZSA-N 2 1 363.527 3.447 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423303537 500362431 /nfs/dbraw/zinc/36/24/31/500362431.db2.gz XFBAKSPXISZRNQ-GVDBMIGSSA-N 2 1 357.498 3.091 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423316200 500363034 /nfs/dbraw/zinc/36/30/34/500363034.db2.gz ASAGLRISZCLTKD-UTKZUKDTSA-N 2 1 351.494 3.443 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000423317904 500364007 /nfs/dbraw/zinc/36/40/07/500364007.db2.gz BFHRQWUKUXDLEF-LEWJYISDSA-N 2 1 358.526 3.470 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCc3ccc(OC)cc3C2)cc1 ZINC000423322813 500364132 /nfs/dbraw/zinc/36/41/32/500364132.db2.gz HBMXLWOUXIAFJR-VJBMBRPKSA-N 2 1 366.505 3.296 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3ccc(OC)cc3C2)cc1 ZINC000423322812 500364143 /nfs/dbraw/zinc/36/41/43/500364143.db2.gz HBMXLWOUXIAFJR-OIBXWCBGSA-N 2 1 366.505 3.296 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)C[C@@H]1C ZINC000423324772 500364809 /nfs/dbraw/zinc/36/48/09/500364809.db2.gz IGQOCOBBNUPSPR-RJQCYMMPSA-N 2 1 374.525 3.098 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423365688 500367356 /nfs/dbraw/zinc/36/73/56/500367356.db2.gz PKEJDFKTARSZOP-DOTOQJQBSA-N 2 1 350.528 3.196 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000423387644 500369672 /nfs/dbraw/zinc/36/96/72/500369672.db2.gz SSKABVRWLWIXHG-XGHQBKJUSA-N 2 1 351.494 3.489 20 0 FGADMP C[C@@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436656 500374693 /nfs/dbraw/zinc/37/46/93/500374693.db2.gz SYIKNIVCYVIJBJ-VGSWGCGISA-N 2 1 353.510 3.165 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000427267230 500375483 /nfs/dbraw/zinc/37/54/83/500375483.db2.gz XPMMILLMWNKCMJ-QGZVFWFLSA-N 2 1 363.933 3.154 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000427267230 500375487 /nfs/dbraw/zinc/37/54/87/500375487.db2.gz XPMMILLMWNKCMJ-QGZVFWFLSA-N 2 1 363.933 3.154 20 0 FGADMP c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCC2 ZINC000423505406 500380139 /nfs/dbraw/zinc/38/01/39/500380139.db2.gz HRGKXZSTYTYHPA-AOMIVXANSA-N 2 1 369.553 3.195 20 0 FGADMP Clc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423526195 500382254 /nfs/dbraw/zinc/38/22/54/500382254.db2.gz ZBJRRYTVHGSGIJ-FAFZWHIHSA-N 2 1 363.933 3.360 20 0 FGADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423526019 500382492 /nfs/dbraw/zinc/38/24/92/500382492.db2.gz KXRVDZAYYPJXNV-HNNXBMFYSA-N 2 1 350.528 3.196 20 0 FGADMP COCCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)s1 ZINC000423530995 500382955 /nfs/dbraw/zinc/38/29/55/500382955.db2.gz SBBCXQVUGFQENT-BMQYYLHXSA-N 2 1 363.571 3.445 20 0 FGADMP [NH3+]C1(CN[C@H](c2cncc(F)c2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423564056 500384739 /nfs/dbraw/zinc/38/47/39/500384739.db2.gz KXGSEANFGNVWPU-NRFANRHFSA-N 2 1 368.500 3.255 20 0 FGADMP [NH3+]CC1(CC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000423793826 500401875 /nfs/dbraw/zinc/40/18/75/500401875.db2.gz CXCFGSFUZWITED-UHFFFAOYSA-N 2 1 370.324 3.203 20 0 FGADMP C[C@@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423793860 500402044 /nfs/dbraw/zinc/40/20/44/500402044.db2.gz DCZKBFHFDGKWLO-NWDGAFQWSA-N 2 1 358.313 3.057 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431656062 500404252 /nfs/dbraw/zinc/40/42/52/500404252.db2.gz UFEHZECTOXFFTE-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431656062 500404254 /nfs/dbraw/zinc/40/42/54/500404254.db2.gz UFEHZECTOXFFTE-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431656062 500404256 /nfs/dbraw/zinc/40/42/56/500404256.db2.gz UFEHZECTOXFFTE-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423811330 500404402 /nfs/dbraw/zinc/40/44/02/500404402.db2.gz NQGHOMVGPMBPGJ-NQERCMRGSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423811330 500404403 /nfs/dbraw/zinc/40/44/03/500404403.db2.gz NQGHOMVGPMBPGJ-NQERCMRGSA-N 2 1 355.885 3.102 20 0 FGADMP CC[C@H]1CN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000423820921 500406132 /nfs/dbraw/zinc/40/61/32/500406132.db2.gz HLHHIWOLVFAHRA-UTKZUKDTSA-N 2 1 351.494 3.443 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675272 500406809 /nfs/dbraw/zinc/40/68/09/500406809.db2.gz XIYJVPGGFVKKBZ-FPOVZHCZSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675272 500406811 /nfs/dbraw/zinc/40/68/11/500406811.db2.gz XIYJVPGGFVKKBZ-FPOVZHCZSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431675272 500406815 /nfs/dbraw/zinc/40/68/15/500406815.db2.gz XIYJVPGGFVKKBZ-FPOVZHCZSA-N 2 1 372.557 3.165 20 0 FGADMP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423839071 500409961 /nfs/dbraw/zinc/40/99/61/500409961.db2.gz CKQRBRNCDATTBP-HXUWFJFHSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423854679 500412382 /nfs/dbraw/zinc/41/23/82/500412382.db2.gz VDRXMLLMQSXDSX-FQEVSTJZSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423868337 500414366 /nfs/dbraw/zinc/41/43/66/500414366.db2.gz NDELAXKEACJMLV-FVJLSDCUSA-N 2 1 351.494 3.347 20 0 FGADMP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914462 500418924 /nfs/dbraw/zinc/41/89/24/500418924.db2.gz XXGGPQXHVAPLRY-VQTJNVASSA-N 2 1 355.526 3.161 20 0 FGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000427694826 500421830 /nfs/dbraw/zinc/42/18/30/500421830.db2.gz DVWJCHLCPMLPRU-DHIUTWEWSA-N 2 1 352.522 3.480 20 0 FGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000427694826 500421833 /nfs/dbraw/zinc/42/18/33/500421833.db2.gz DVWJCHLCPMLPRU-DHIUTWEWSA-N 2 1 352.522 3.480 20 0 FGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000427694828 500422027 /nfs/dbraw/zinc/42/20/27/500422027.db2.gz DVWJCHLCPMLPRU-PKTZIBPZSA-N 2 1 352.522 3.480 20 0 FGADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000427694828 500422029 /nfs/dbraw/zinc/42/20/29/500422029.db2.gz DVWJCHLCPMLPRU-PKTZIBPZSA-N 2 1 352.522 3.480 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc2ccccc2o1 ZINC000431806014 500427223 /nfs/dbraw/zinc/42/72/23/500427223.db2.gz YPSQLUJAQQHPNF-UHFFFAOYSA-N 2 1 356.514 3.460 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296763 500435835 /nfs/dbraw/zinc/43/58/35/500435835.db2.gz DTZDRWFBVBKCFO-XMSQKQJNSA-N 2 1 365.521 3.424 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420311481 500439008 /nfs/dbraw/zinc/43/90/08/500439008.db2.gz HCIQXLCTFJYJFO-YRNRMSPPSA-N 2 1 353.466 3.044 20 0 FGADMP COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000420311481 500439010 /nfs/dbraw/zinc/43/90/10/500439010.db2.gz HCIQXLCTFJYJFO-YRNRMSPPSA-N 2 1 353.466 3.044 20 0 FGADMP C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000420321903 500440828 /nfs/dbraw/zinc/44/08/28/500440828.db2.gz VZFIKAHCLDKURI-XLIONFOSSA-N 2 1 357.523 3.013 20 0 FGADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H](C[NH3+])C1CC1 ZINC000420321903 500440830 /nfs/dbraw/zinc/44/08/30/500440830.db2.gz VZFIKAHCLDKURI-XLIONFOSSA-N 2 1 357.523 3.013 20 0 FGADMP CC(C)(C)c1ccc(OCCC[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420325031 500441851 /nfs/dbraw/zinc/44/18/51/500441851.db2.gz HWQGGXGLBGJGID-LJQANCHMSA-N 2 1 360.542 3.440 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330583 500442462 /nfs/dbraw/zinc/44/24/62/500442462.db2.gz QEZQHISFTCOWAA-FRQCXROJSA-N 2 1 361.917 3.157 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328702 500442702 /nfs/dbraw/zinc/44/27/02/500442702.db2.gz FLGHACVIDVUTPO-RWMBFGLXSA-N 2 1 356.297 3.252 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330201 500442778 /nfs/dbraw/zinc/44/27/78/500442778.db2.gz AKGBLKJTCXKPLK-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330201 500442780 /nfs/dbraw/zinc/44/27/80/500442780.db2.gz AKGBLKJTCXKPLK-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330208 500442785 /nfs/dbraw/zinc/44/27/85/500442785.db2.gz AKGBLKJTCXKPLK-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330208 500442787 /nfs/dbraw/zinc/44/27/87/500442787.db2.gz AKGBLKJTCXKPLK-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335005 500444057 /nfs/dbraw/zinc/44/40/57/500444057.db2.gz HAMYLCNKWNJHDH-RTWAWAEBSA-N 2 1 357.542 3.055 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000420339879 500444510 /nfs/dbraw/zinc/44/45/10/500444510.db2.gz ZFLXPVKJWGFHIJ-CYBMUJFWSA-N 2 1 359.297 3.060 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2c(Cl)cccc2Cl)CC12CCOCC2 ZINC000420339879 500444512 /nfs/dbraw/zinc/44/45/12/500444512.db2.gz ZFLXPVKJWGFHIJ-CYBMUJFWSA-N 2 1 359.297 3.060 20 0 FGADMP Cc1nc([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347285 500446138 /nfs/dbraw/zinc/44/61/38/500446138.db2.gz GJKKBKWFSJMJIE-CRAIPNDOSA-N 2 1 374.916 3.344 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427954766 500449979 /nfs/dbraw/zinc/44/99/79/500449979.db2.gz JMTJRVGBANUVMJ-ZACQAIPSSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427954766 500449982 /nfs/dbraw/zinc/44/99/82/500449982.db2.gz JMTJRVGBANUVMJ-ZACQAIPSSA-N 2 1 355.885 3.102 20 0 FGADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420380530 500451544 /nfs/dbraw/zinc/45/15/44/500451544.db2.gz CCTIMKLDFCRZMK-YVWKXTFCSA-N 2 1 361.505 3.199 20 0 FGADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)[C@H](C)c1ccc(F)cc1 ZINC000420380530 500451546 /nfs/dbraw/zinc/45/15/46/500451546.db2.gz CCTIMKLDFCRZMK-YVWKXTFCSA-N 2 1 361.505 3.199 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C1 ZINC000420395888 500454969 /nfs/dbraw/zinc/45/49/69/500454969.db2.gz UUAHFZSJWNOWHE-CRAIPNDOSA-N 2 1 359.445 3.199 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404585 500455960 /nfs/dbraw/zinc/45/59/60/500455960.db2.gz MGEVZCBSKFNXJI-JJDSTIRJSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404585 500455964 /nfs/dbraw/zinc/45/59/64/500455964.db2.gz MGEVZCBSKFNXJI-JJDSTIRJSA-N 2 1 353.510 3.322 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420415291 500457424 /nfs/dbraw/zinc/45/74/24/500457424.db2.gz VARZDKFFGSCMGQ-ZWKOTPCHSA-N 2 1 362.537 3.008 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(OC)cc2Cl)CC1 ZINC000424260749 500477046 /nfs/dbraw/zinc/47/70/46/500477046.db2.gz DLYCDCSOYMZGMZ-MRXNPFEDSA-N 2 1 353.938 3.417 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275877 500479862 /nfs/dbraw/zinc/47/98/62/500479862.db2.gz CSUPEJJWPCZICK-LLVBAIKDSA-N 2 1 358.526 3.071 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275877 500479864 /nfs/dbraw/zinc/47/98/64/500479864.db2.gz CSUPEJJWPCZICK-LLVBAIKDSA-N 2 1 358.526 3.071 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288629 500481602 /nfs/dbraw/zinc/48/16/02/500481602.db2.gz KUTHLVIMBUGDRL-MAUKXSAKSA-N 2 1 363.571 3.416 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nnc(-c3ccc(Cl)cc3)n1C)CC[NH2+]CC2 ZINC000424294418 500482587 /nfs/dbraw/zinc/48/25/87/500482587.db2.gz QFWHGQHTLXCCST-CQSZACIVSA-N 2 1 359.905 3.100 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nnc(-c3ccc(Cl)cc3)n1C)CC[NH2+]CC2 ZINC000424294417 500482752 /nfs/dbraw/zinc/48/27/52/500482752.db2.gz QFWHGQHTLXCCST-AWEZNQCLSA-N 2 1 359.905 3.100 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424320883 500486250 /nfs/dbraw/zinc/48/62/50/500486250.db2.gz TVTNCISQTXIVHY-RBUKOAKNSA-N 2 1 359.539 3.253 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424320879 500486352 /nfs/dbraw/zinc/48/63/52/500486352.db2.gz TVTNCISQTXIVHY-MOPGFXCFSA-N 2 1 359.539 3.253 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000424412420 500500050 /nfs/dbraw/zinc/50/00/50/500500050.db2.gz ANNNJOFMTBQIQG-GOSISDBHSA-N 2 1 366.509 3.440 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCO1 ZINC000432356978 500504463 /nfs/dbraw/zinc/50/44/63/500504463.db2.gz FZNRGNVFZDCRSL-HNNXBMFYSA-N 2 1 368.905 3.092 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCO1 ZINC000432356978 500504464 /nfs/dbraw/zinc/50/44/64/500504464.db2.gz FZNRGNVFZDCRSL-HNNXBMFYSA-N 2 1 368.905 3.092 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417942 500513987 /nfs/dbraw/zinc/51/39/87/500513987.db2.gz PILWFOUPBKQGQS-HZPDHXFCSA-N 2 1 359.514 3.068 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417942 500513989 /nfs/dbraw/zinc/51/39/89/500513989.db2.gz PILWFOUPBKQGQS-HZPDHXFCSA-N 2 1 359.514 3.068 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000573446636 506196324 /nfs/dbraw/zinc/19/63/24/506196324.db2.gz LWPBBWBCWFCKOZ-BVYCBKJFSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000573446636 506196327 /nfs/dbraw/zinc/19/63/27/506196327.db2.gz LWPBBWBCWFCKOZ-BVYCBKJFSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000573446636 506196332 /nfs/dbraw/zinc/19/63/32/506196332.db2.gz LWPBBWBCWFCKOZ-BVYCBKJFSA-N 2 1 369.553 3.420 20 0 FGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000420917620 500530193 /nfs/dbraw/zinc/53/01/93/500530193.db2.gz SYWBVQDGASSZGW-JOCHJYFZSA-N 2 1 354.494 3.074 20 0 FGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H](CCO)c1ccccc1 ZINC000420917620 500530196 /nfs/dbraw/zinc/53/01/96/500530196.db2.gz SYWBVQDGASSZGW-JOCHJYFZSA-N 2 1 354.494 3.074 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000420931230 500534264 /nfs/dbraw/zinc/53/42/64/500534264.db2.gz GISJMXCDEKONEP-DENIHFKCSA-N 2 1 371.569 3.261 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CCc4ccccc4C3)CC2)CC1 ZINC000420977073 500545220 /nfs/dbraw/zinc/54/52/20/500545220.db2.gz HQTMBQQEVLJZSB-FQEVSTJZSA-N 2 1 355.570 3.284 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(OC(C)C)c3)CC2)CC1 ZINC000420977061 500545602 /nfs/dbraw/zinc/54/56/02/500545602.db2.gz HPCMIUIMDZOZBZ-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCOc3ccc(F)cc3)CC2)CC1 ZINC000420977379 500546098 /nfs/dbraw/zinc/54/60/98/500546098.db2.gz HXSNQHMKDLPNTF-UHFFFAOYSA-N 2 1 363.521 3.087 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc(C(F)(F)F)c2)CC12CCOCC2 ZINC000576637539 506203580 /nfs/dbraw/zinc/20/35/80/506203580.db2.gz KVTBYTBGMADFRM-MRXNPFEDSA-N 2 1 372.431 3.162 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)nc1 ZINC000447300583 500587263 /nfs/dbraw/zinc/58/72/63/500587263.db2.gz DJYNGPJWUXWCHJ-HXUWFJFHSA-N 2 1 366.509 3.173 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000447300583 500587269 /nfs/dbraw/zinc/58/72/69/500587269.db2.gz DJYNGPJWUXWCHJ-HXUWFJFHSA-N 2 1 366.509 3.173 20 0 FGADMP Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000447300583 500587274 /nfs/dbraw/zinc/58/72/74/500587274.db2.gz DJYNGPJWUXWCHJ-HXUWFJFHSA-N 2 1 366.509 3.173 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433128205 500631558 /nfs/dbraw/zinc/63/15/58/500631558.db2.gz WEWZJBJCWXZYTI-NRFANRHFSA-N 2 1 360.542 3.151 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)C1 ZINC000433138414 500633791 /nfs/dbraw/zinc/63/37/91/500633791.db2.gz SGGIOVPZJFXXFY-GOSISDBHSA-N 3 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2)C1 ZINC000433138414 500633792 /nfs/dbraw/zinc/63/37/92/500633792.db2.gz SGGIOVPZJFXXFY-GOSISDBHSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCN3CCC([NH3+])CC3)cc2)C1 ZINC000433138414 500633794 /nfs/dbraw/zinc/63/37/94/500633794.db2.gz SGGIOVPZJFXXFY-GOSISDBHSA-N 2 1 372.557 3.060 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1(C)C ZINC000442866927 500636522 /nfs/dbraw/zinc/63/65/22/500636522.db2.gz JPFANJZJAZTDKS-INIZCTEOSA-N 2 1 370.463 3.093 20 0 FGADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000433179033 500639548 /nfs/dbraw/zinc/63/95/48/500639548.db2.gz XHPJWDMLBVBBFF-MOPGFXCFSA-N 2 1 371.550 3.195 20 0 FGADMP CC(C)[C@@H](C[NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000433179033 500639552 /nfs/dbraw/zinc/63/95/52/500639552.db2.gz XHPJWDMLBVBBFF-MOPGFXCFSA-N 2 1 371.550 3.195 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]CC[C@@H]3CCOC3)cc2)C[C@H]1C ZINC000437776312 500693823 /nfs/dbraw/zinc/69/38/23/500693823.db2.gz PDEXMSJZURTRKU-SVFBPWRDSA-N 2 1 360.542 3.212 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000448138088 500722159 /nfs/dbraw/zinc/72/21/59/500722159.db2.gz RHPMUUHPYOUMQQ-WMZOPIPTSA-N 2 1 364.534 3.082 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000438186893 500751700 /nfs/dbraw/zinc/75/17/00/500751700.db2.gz GGZMOSGJOVMSEB-AGHHOFFYSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000438186893 500751704 /nfs/dbraw/zinc/75/17/04/500751704.db2.gz GGZMOSGJOVMSEB-AGHHOFFYSA-N 2 1 356.485 3.229 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443957481 500783734 /nfs/dbraw/zinc/78/37/34/500783734.db2.gz BANGZFSMCCDHDF-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443957481 500783737 /nfs/dbraw/zinc/78/37/37/500783737.db2.gz BANGZFSMCCDHDF-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC(C)(C)C1 ZINC000443991816 500788173 /nfs/dbraw/zinc/78/81/73/500788173.db2.gz VKZOXSRYKKNWGD-MSOLQXFVSA-N 2 1 359.562 3.171 20 0 FGADMP C[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@@H](C)N1CCOCC1 ZINC000438839813 500825261 /nfs/dbraw/zinc/82/52/61/500825261.db2.gz VXAFBPDZNFRJCO-RVEPMOMFSA-N 2 1 359.558 3.128 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)cc1)C1CC1 ZINC000434420832 500840539 /nfs/dbraw/zinc/84/05/39/500840539.db2.gz IILVFWAETOLVLQ-OAQYLSRUSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1)C1CC1 ZINC000434420832 500840541 /nfs/dbraw/zinc/84/05/41/500840541.db2.gz IILVFWAETOLVLQ-OAQYLSRUSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1)C1CC1 ZINC000434420832 500840543 /nfs/dbraw/zinc/84/05/43/500840543.db2.gz IILVFWAETOLVLQ-OAQYLSRUSA-N 2 1 355.526 3.418 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434672104 500877224 /nfs/dbraw/zinc/87/72/24/500877224.db2.gz XRABVTCOKQSIHX-UHFFFAOYSA-N 2 1 363.399 3.316 20 0 FGADMP Cc1cc(C)cc(C[N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000444692100 500880486 /nfs/dbraw/zinc/88/04/86/500880486.db2.gz AYGOMIRKMPSDGL-NRFANRHFSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1cc(C)cc(C[N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000444692100 500880489 /nfs/dbraw/zinc/88/04/89/500880489.db2.gz AYGOMIRKMPSDGL-NRFANRHFSA-N 2 1 353.510 3.154 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449094386 500923440 /nfs/dbraw/zinc/92/34/40/500923440.db2.gz RNFAQOPGRAAYOO-PXNSSMCTSA-N 2 1 350.934 3.488 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000449180765 500942577 /nfs/dbraw/zinc/94/25/77/500942577.db2.gz BZCBHZWZNPXMCP-YLJYHZDGSA-N 2 1 357.542 3.071 20 0 FGADMP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000449231722 500953269 /nfs/dbraw/zinc/95/32/69/500953269.db2.gz FSYZQWMBUJGQJQ-FQEVSTJZSA-N 2 1 358.457 3.081 20 0 FGADMP C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435372978 500961614 /nfs/dbraw/zinc/96/16/14/500961614.db2.gz CJSBUMXJRLBILC-LAUBAEHRSA-N 2 1 361.493 3.163 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@H]1[NH3+] ZINC000435372978 500961615 /nfs/dbraw/zinc/96/16/15/500961615.db2.gz CJSBUMXJRLBILC-LAUBAEHRSA-N 2 1 361.493 3.163 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH+]4CCC([NH3+])CC4)cc3)nc12 ZINC000435382111 500964614 /nfs/dbraw/zinc/96/46/14/500964614.db2.gz ZQIBDHKYWQWNQO-UHFFFAOYSA-N 2 1 350.466 3.145 20 0 FGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435385373 500965250 /nfs/dbraw/zinc/96/52/50/500965250.db2.gz RGSDCRKNFCTCJL-LJQANCHMSA-N 2 1 364.493 3.263 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3cn4cccc(C)c4n3)cc2)C1 ZINC000435385373 500965254 /nfs/dbraw/zinc/96/52/54/500965254.db2.gz RGSDCRKNFCTCJL-LJQANCHMSA-N 3 1 364.493 3.263 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000435387191 500965786 /nfs/dbraw/zinc/96/57/86/500965786.db2.gz XYNQNFDRKAITFI-UHFFFAOYSA-N 2 1 363.303 3.271 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435396077 500967571 /nfs/dbraw/zinc/96/75/71/500967571.db2.gz WMGAGWHOCANQQM-SFHVURJKSA-N 2 1 370.493 3.454 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435396077 500967572 /nfs/dbraw/zinc/96/75/72/500967572.db2.gz WMGAGWHOCANQQM-SFHVURJKSA-N 2 1 370.493 3.454 20 0 FGADMP COC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)[nH]1 ZINC000435427766 500973663 /nfs/dbraw/zinc/97/36/63/500973663.db2.gz NCWVWVBMXIWMRO-QGZVFWFLSA-N 2 1 359.495 3.007 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)[nH]1 ZINC000435427766 500973666 /nfs/dbraw/zinc/97/36/66/500973666.db2.gz NCWVWVBMXIWMRO-QGZVFWFLSA-N 2 1 359.495 3.007 20 0 FGADMP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435437530 500976714 /nfs/dbraw/zinc/97/67/14/500976714.db2.gz LGYSHFRNIPEMJA-INIZCTEOSA-N 2 1 363.303 3.209 20 0 FGADMP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435437530 500976717 /nfs/dbraw/zinc/97/67/17/500976717.db2.gz LGYSHFRNIPEMJA-INIZCTEOSA-N 2 1 363.303 3.209 20 0 FGADMP Cc1ncsc1C[N@@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CC[NH2+]C1 ZINC000435441541 500978475 /nfs/dbraw/zinc/97/84/75/500978475.db2.gz COUNWHVDLZNGIY-OAHLLOKOSA-N 2 1 373.551 3.310 20 0 FGADMP Cc1ncsc1C[N@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CC[NH2+]C1 ZINC000435441541 500978476 /nfs/dbraw/zinc/97/84/76/500978476.db2.gz COUNWHVDLZNGIY-OAHLLOKOSA-N 2 1 373.551 3.310 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)Cc1cccc(F)c1 ZINC000449358705 500986379 /nfs/dbraw/zinc/98/63/79/500986379.db2.gz FZFMBHLJEGMANJ-YPIGPJMWSA-N 2 1 368.496 3.229 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611774 501001619 /nfs/dbraw/zinc/00/16/19/501001619.db2.gz CVHCRTWFGLRORT-WIYYLYMNSA-N 2 1 371.550 3.418 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435611774 501001622 /nfs/dbraw/zinc/00/16/22/501001622.db2.gz CVHCRTWFGLRORT-WIYYLYMNSA-N 2 1 371.550 3.418 20 0 FGADMP c1ccc(OCCOCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435630676 501005318 /nfs/dbraw/zinc/00/53/18/501005318.db2.gz YJRXQYMTACCLGN-NRFANRHFSA-N 2 1 369.509 3.121 20 0 FGADMP c1ccc(OCCOCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435630676 501005320 /nfs/dbraw/zinc/00/53/20/501005320.db2.gz YJRXQYMTACCLGN-NRFANRHFSA-N 2 1 369.509 3.121 20 0 FGADMP COCC[NH+]1CCC([NH2+]C/C=C\c2ccc(Br)cc2)CC1 ZINC000449464379 501009293 /nfs/dbraw/zinc/00/92/93/501009293.db2.gz YBJDJYREQFCXRF-IHWYPQMZSA-N 2 1 353.304 3.163 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501678 501019186 /nfs/dbraw/zinc/01/91/86/501019186.db2.gz OCSWDLXKSBFUCY-MDNUFGMLSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501678 501019187 /nfs/dbraw/zinc/01/91/87/501019187.db2.gz OCSWDLXKSBFUCY-MDNUFGMLSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501678 501019190 /nfs/dbraw/zinc/01/91/90/501019190.db2.gz OCSWDLXKSBFUCY-MDNUFGMLSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501678 501019192 /nfs/dbraw/zinc/01/91/92/501019192.db2.gz OCSWDLXKSBFUCY-MDNUFGMLSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504179 501019868 /nfs/dbraw/zinc/01/98/68/501019868.db2.gz QHQAVCLAESNITO-COPCDDAFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504179 501019871 /nfs/dbraw/zinc/01/98/71/501019871.db2.gz QHQAVCLAESNITO-COPCDDAFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504179 501019874 /nfs/dbraw/zinc/01/98/74/501019874.db2.gz QHQAVCLAESNITO-COPCDDAFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504179 501019878 /nfs/dbraw/zinc/01/98/78/501019878.db2.gz QHQAVCLAESNITO-COPCDDAFSA-N 2 1 361.574 3.245 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000445846428 501040565 /nfs/dbraw/zinc/04/05/65/501040565.db2.gz IJEAIGZBFCABHL-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000445875572 501045226 /nfs/dbraw/zinc/04/52/26/501045226.db2.gz OBXPOKAKPULVDH-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440796469 501049291 /nfs/dbraw/zinc/04/92/91/501049291.db2.gz LCGJRRMIHZUMTO-LMDPOFIKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974210 501057137 /nfs/dbraw/zinc/05/71/37/501057137.db2.gz KFDYKBKFKFLZID-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@@H]2CCOC2)cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000450389904 501109180 /nfs/dbraw/zinc/10/91/80/501109180.db2.gz KVLXDTYHCKINFC-HDICACEKSA-N 2 1 372.431 3.147 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@H]2CCOC2)cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000450389904 501109184 /nfs/dbraw/zinc/10/91/84/501109184.db2.gz KVLXDTYHCKINFC-HDICACEKSA-N 2 1 372.431 3.147 20 0 FGADMP C[NH+](Cc1cc(C[N@@H+](C)[C@H]2CCOC2)cc(C(F)(F)F)c1)[C@@H]1CCOC1 ZINC000450389904 501109187 /nfs/dbraw/zinc/10/91/87/501109187.db2.gz KVLXDTYHCKINFC-HDICACEKSA-N 2 1 372.431 3.147 20 0 FGADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441438585 501138877 /nfs/dbraw/zinc/13/88/77/501138877.db2.gz RYRYEVISRSSYGB-GIVPXCGWSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441438585 501138884 /nfs/dbraw/zinc/13/88/84/501138884.db2.gz RYRYEVISRSSYGB-GIVPXCGWSA-N 2 1 355.526 3.156 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1O ZINC000436535019 501150429 /nfs/dbraw/zinc/15/04/29/501150429.db2.gz MJYNZCOZNJAAAN-SFHVURJKSA-N 2 1 361.530 3.004 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](COC)C2CCCC2)CC1 ZINC000446744932 501160339 /nfs/dbraw/zinc/16/03/39/501160339.db2.gz KQHJKELEFXOUOX-JOCHJYFZSA-N 2 1 359.558 3.119 20 0 FGADMP COC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000446758970 501162572 /nfs/dbraw/zinc/16/25/72/501162572.db2.gz MLNNSAWZKIRNAX-YADHBBJMSA-N 2 1 359.558 3.160 20 0 FGADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000446973229 501188819 /nfs/dbraw/zinc/18/88/19/501188819.db2.gz BZXUSMQHHSOETH-IXDOHACOSA-N 2 1 374.422 3.404 20 0 FGADMP OCC[C@@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000450801235 501211279 /nfs/dbraw/zinc/21/12/79/501211279.db2.gz YXCUPDRKLAMNQU-PMACEKPBSA-N 2 1 366.933 3.034 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@H+](CC[C@@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045986 501241558 /nfs/dbraw/zinc/24/15/58/501241558.db2.gz NKENWYLTOSNAOH-OSBQEZSISA-N 2 1 350.547 3.018 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453100208 501269197 /nfs/dbraw/zinc/26/91/97/501269197.db2.gz YGGUELSLFPPKIV-ICSRJNTNSA-N 2 1 369.557 3.010 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453106890 501270255 /nfs/dbraw/zinc/27/02/55/501270255.db2.gz JLTVRADDIDMKSX-SFHVURJKSA-N 2 1 369.557 3.011 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000453109738 501270895 /nfs/dbraw/zinc/27/08/95/501270895.db2.gz AJZWYZRFJYLTAE-SIKLNZKXSA-N 2 1 353.510 3.019 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000453109738 501270897 /nfs/dbraw/zinc/27/08/97/501270897.db2.gz AJZWYZRFJYLTAE-SIKLNZKXSA-N 2 1 353.510 3.019 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)CCCc3cccnc3)CC2)nc(C)[nH+]1 ZINC000453145483 501278573 /nfs/dbraw/zinc/27/85/73/501278573.db2.gz WKNRJBKHBICBIA-INIZCTEOSA-N 2 1 353.514 3.458 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CCC1 ZINC000453153716 501280369 /nfs/dbraw/zinc/28/03/69/501280369.db2.gz RAFZBPABDQEPOL-VSKRKVRLSA-N 2 1 369.553 3.326 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161152 501282119 /nfs/dbraw/zinc/28/21/19/501282119.db2.gz ISASRDKXRZTTDF-CEXWTWQISA-N 2 1 368.525 3.337 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195346 501288473 /nfs/dbraw/zinc/28/84/73/501288473.db2.gz JNTMFTKKPMCOQG-LMNJBCLMSA-N 2 1 366.505 3.499 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698596 501289979 /nfs/dbraw/zinc/28/99/79/501289979.db2.gz ZCIGDXYYYFICGH-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000455477657 501313426 /nfs/dbraw/zinc/31/34/26/501313426.db2.gz UMKKZXUZJVIRAE-QZTJIDSGSA-N 2 1 369.513 3.270 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529107 501313706 /nfs/dbraw/zinc/31/37/06/501313706.db2.gz GJSGVRFPUTXWOE-KSEOMHKRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529107 501313708 /nfs/dbraw/zinc/31/37/08/501313708.db2.gz GJSGVRFPUTXWOE-KSEOMHKRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529107 501313709 /nfs/dbraw/zinc/31/37/09/501313709.db2.gz GJSGVRFPUTXWOE-KSEOMHKRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529107 501313711 /nfs/dbraw/zinc/31/37/11/501313711.db2.gz GJSGVRFPUTXWOE-KSEOMHKRSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000451529107 501313713 /nfs/dbraw/zinc/31/37/13/501313713.db2.gz GJSGVRFPUTXWOE-KSEOMHKRSA-N 2 1 363.590 3.469 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1 ZINC000582481200 506245847 /nfs/dbraw/zinc/24/58/47/506245847.db2.gz IHVNILFLKWBFFZ-FUHWJXTLSA-N 2 1 354.922 3.324 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455483351 501315556 /nfs/dbraw/zinc/31/55/56/501315556.db2.gz XLZQXMORLJDNBZ-ZNDGOPKYSA-N 2 1 370.541 3.136 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453399818 501325003 /nfs/dbraw/zinc/32/50/03/501325003.db2.gz LQHFVRXPOBXJMW-BHDDXSALSA-N 2 1 350.510 3.360 20 0 FGADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cn2cc[nH+]c12 ZINC000455665542 501360177 /nfs/dbraw/zinc/36/01/77/501360177.db2.gz UCRNAQDSNDIKGC-UHFFFAOYSA-N 2 1 369.444 3.378 20 0 FGADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229435 501399147 /nfs/dbraw/zinc/39/91/47/501399147.db2.gz UZYNLTBLVXTOOM-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000458229435 501399149 /nfs/dbraw/zinc/39/91/49/501399149.db2.gz UZYNLTBLVXTOOM-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000458229435 501399152 /nfs/dbraw/zinc/39/91/52/501399152.db2.gz UZYNLTBLVXTOOM-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000458229435 501399153 /nfs/dbraw/zinc/39/91/53/501399153.db2.gz UZYNLTBLVXTOOM-XLIONFOSSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000458291888 501413963 /nfs/dbraw/zinc/41/39/63/501413963.db2.gz STRGZZLGIGMFIY-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)ccc1C[NH+](C)C ZINC000458291888 501413964 /nfs/dbraw/zinc/41/39/64/501413964.db2.gz STRGZZLGIGMFIY-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000458379595 501431918 /nfs/dbraw/zinc/43/19/18/501431918.db2.gz SUSSBXZQQYVMAZ-IEBWSBKVSA-N 2 1 360.546 3.240 20 0 FGADMP Cn1cncc1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495040 506254772 /nfs/dbraw/zinc/25/47/72/506254772.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495040 506254782 /nfs/dbraw/zinc/25/47/82/506254782.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495040 506254791 /nfs/dbraw/zinc/25/47/91/506254791.db2.gz UMYMYUDRIYGHMO-IRLDBZIGSA-N 2 1 352.526 3.339 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522835 501465709 /nfs/dbraw/zinc/46/57/09/501465709.db2.gz YKYZSWDDSBZITK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCCC[N@@H+](C)C1CC1)[NH+](C)C ZINC000458759400 501524572 /nfs/dbraw/zinc/52/45/72/501524572.db2.gz GHOYKTJVUDVVIU-YLJYHZDGSA-N 2 1 360.546 3.160 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000458788391 501531938 /nfs/dbraw/zinc/53/19/38/501531938.db2.gz YCBHJNPITLCBCS-BJLQDIEVSA-N 2 1 360.546 3.110 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458964721 501566757 /nfs/dbraw/zinc/56/67/57/501566757.db2.gz CUCUZAKQVLKXPB-UHFFFAOYSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981246 501570586 /nfs/dbraw/zinc/57/05/86/501570586.db2.gz TVOYEKFNXKUXSO-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458981246 501570587 /nfs/dbraw/zinc/57/05/87/501570587.db2.gz TVOYEKFNXKUXSO-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@H]1N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458981246 501570588 /nfs/dbraw/zinc/57/05/88/501570588.db2.gz TVOYEKFNXKUXSO-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646023 501600321 /nfs/dbraw/zinc/60/03/21/501600321.db2.gz PIZAEXDZFVMQPG-DLBZAZTESA-N 2 1 352.567 3.011 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000459268272 501622300 /nfs/dbraw/zinc/62/23/00/501622300.db2.gz SBFJJYOAUXXWHQ-PMACEKPBSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCCCC[N@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000454773498 501627173 /nfs/dbraw/zinc/62/71/73/501627173.db2.gz PBYMECJDMPROQG-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCCCC[N@@H+](C)C2CC2)cc1)[NH+]1CCOCC1 ZINC000454773498 501627176 /nfs/dbraw/zinc/62/71/76/501627176.db2.gz PBYMECJDMPROQG-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457083700 501647019 /nfs/dbraw/zinc/64/70/19/501647019.db2.gz KGWJDESYUIYSNM-UHFFFAOYSA-N 2 1 374.451 3.272 20 0 FGADMP C[NH+](C)CC(C)(C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000457216625 501666688 /nfs/dbraw/zinc/66/66/88/501666688.db2.gz DFDDBBSIFBZACL-UHFFFAOYSA-N 2 1 353.510 3.389 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000455115699 501690538 /nfs/dbraw/zinc/69/05/38/501690538.db2.gz MPQYPGQSTNKQGR-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000459758723 501710033 /nfs/dbraw/zinc/71/00/33/501710033.db2.gz SNHPKWQWCWTCEZ-NYVOZVTQSA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000459758723 501710035 /nfs/dbraw/zinc/71/00/35/501710035.db2.gz SNHPKWQWCWTCEZ-NYVOZVTQSA-N 2 1 368.521 3.414 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000474172867 501730115 /nfs/dbraw/zinc/73/01/15/501730115.db2.gz SVYJUBDBGZPZNF-SVMVAKDDSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000474172867 501730120 /nfs/dbraw/zinc/73/01/20/501730120.db2.gz SVYJUBDBGZPZNF-SVMVAKDDSA-N 2 1 365.521 3.241 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)CC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000463489133 501740304 /nfs/dbraw/zinc/74/03/04/501740304.db2.gz DOTMERSRVKZCJY-UHFFFAOYSA-N 2 1 372.557 3.062 20 0 FGADMP CO[C@H]1C[NH+](Cc2ccccc2C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289166 501760354 /nfs/dbraw/zinc/76/03/54/501760354.db2.gz MCBDRGZJGUPVBR-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@H+](Cc2ccccc2C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289166 501760356 /nfs/dbraw/zinc/76/03/56/501760356.db2.gz MCBDRGZJGUPVBR-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289166 501760362 /nfs/dbraw/zinc/76/03/62/501760362.db2.gz MCBDRGZJGUPVBR-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000467344228 501773785 /nfs/dbraw/zinc/77/37/85/501773785.db2.gz AVYXMVPRPOJUAR-INIZCTEOSA-N 2 1 357.464 3.254 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)[C@@H](C)C1 ZINC000467354151 501775341 /nfs/dbraw/zinc/77/53/41/501775341.db2.gz LXLPRQOALGCSGY-AFDCHOCNSA-N 2 1 352.563 3.308 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474294380 501779177 /nfs/dbraw/zinc/77/91/77/501779177.db2.gz UTRZXOZISCEBNG-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000474294380 501779180 /nfs/dbraw/zinc/77/91/80/501779180.db2.gz UTRZXOZISCEBNG-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000467369505 501779216 /nfs/dbraw/zinc/77/92/16/501779216.db2.gz ZAABKNLYSOMRBX-MOUTVQLLSA-N 2 1 364.533 3.399 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000467419708 501790238 /nfs/dbraw/zinc/79/02/38/501790238.db2.gz RQZDHDQXUVZIER-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000467419708 501790244 /nfs/dbraw/zinc/79/02/44/501790244.db2.gz RQZDHDQXUVZIER-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000467428950 501792014 /nfs/dbraw/zinc/79/20/14/501792014.db2.gz MVCMKEJIASOCEI-PTUXOGIPSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000467428950 501792015 /nfs/dbraw/zinc/79/20/15/501792015.db2.gz MVCMKEJIASOCEI-PTUXOGIPSA-N 2 1 352.522 3.399 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)NCC1CCCCC1 ZINC000460346832 501797934 /nfs/dbraw/zinc/79/79/34/501797934.db2.gz IARJMTWCGLNALI-OALUTQOASA-N 2 1 371.569 3.429 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463741996 501808601 /nfs/dbraw/zinc/80/86/01/501808601.db2.gz RPYBBYGGQBQINQ-HXUWFJFHSA-N 2 1 370.541 3.378 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000463741996 501808604 /nfs/dbraw/zinc/80/86/04/501808604.db2.gz RPYBBYGGQBQINQ-HXUWFJFHSA-N 2 1 370.541 3.378 20 0 FGADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccc(F)c(F)c1 ZINC000477916057 501828076 /nfs/dbraw/zinc/82/80/76/501828076.db2.gz QCMYPMSIJICUAK-LJQANCHMSA-N 2 1 374.475 3.370 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000460520467 501847871 /nfs/dbraw/zinc/84/78/71/501847871.db2.gz ISDHUACJDLUNMT-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000460520467 501847873 /nfs/dbraw/zinc/84/78/73/501847873.db2.gz ISDHUACJDLUNMT-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000460520467 501847877 /nfs/dbraw/zinc/84/78/77/501847877.db2.gz ISDHUACJDLUNMT-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000470999137 501886206 /nfs/dbraw/zinc/88/62/06/501886206.db2.gz ZTUSQKCYWLZFNB-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000470999137 501886214 /nfs/dbraw/zinc/88/62/14/501886214.db2.gz ZTUSQKCYWLZFNB-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1F ZINC000470999137 501886221 /nfs/dbraw/zinc/88/62/21/501886221.db2.gz ZTUSQKCYWLZFNB-KDURUIRLSA-N 2 1 367.468 3.218 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768111 501946569 /nfs/dbraw/zinc/94/65/69/501946569.db2.gz PRBHXOKGXCBTGB-XLIONFOSSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768111 501946572 /nfs/dbraw/zinc/94/65/72/501946572.db2.gz PRBHXOKGXCBTGB-XLIONFOSSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474768111 501946576 /nfs/dbraw/zinc/94/65/76/501946576.db2.gz PRBHXOKGXCBTGB-XLIONFOSSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474768111 501946578 /nfs/dbraw/zinc/94/65/78/501946578.db2.gz PRBHXOKGXCBTGB-XLIONFOSSA-N 2 1 361.505 3.171 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075170 501948961 /nfs/dbraw/zinc/94/89/61/501948961.db2.gz XIYSCVREKOCLOE-BZSNNMDCSA-N 2 1 363.571 3.368 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000482132169 501984386 /nfs/dbraw/zinc/98/43/86/501984386.db2.gz ZKMOQCRAKGPEKG-RYRKJORJSA-N 2 1 351.560 3.243 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000482147946 501990029 /nfs/dbraw/zinc/99/00/29/501990029.db2.gz SBFVFLSRBDHMDU-PBHICJAKSA-N 2 1 353.457 3.394 20 0 FGADMP CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1[NH+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494282 502004399 /nfs/dbraw/zinc/00/43/99/502004399.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494282 502004404 /nfs/dbraw/zinc/00/44/04/502004404.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494282 502004408 /nfs/dbraw/zinc/00/44/08/502004408.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494282 502004415 /nfs/dbraw/zinc/00/44/15/502004415.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494282 502004418 /nfs/dbraw/zinc/00/44/18/502004418.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494282 502004425 /nfs/dbraw/zinc/00/44/25/502004425.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494282 502004427 /nfs/dbraw/zinc/00/44/27/502004427.db2.gz AKISQLBYHPFWKA-CIAFKFPVSA-N 3 1 364.622 3.130 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)CC[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000471380783 502004607 /nfs/dbraw/zinc/00/46/07/502004607.db2.gz IREGTQUOTGQLHV-HXUWFJFHSA-N 2 1 369.509 3.227 20 0 FGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000461098651 502012627 /nfs/dbraw/zinc/01/26/27/502012627.db2.gz PTZZMRDBDIKZQK-CJNGLKHVSA-N 2 1 355.885 3.107 20 0 FGADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000461098651 502012634 /nfs/dbraw/zinc/01/26/34/502012634.db2.gz PTZZMRDBDIKZQK-CJNGLKHVSA-N 2 1 355.885 3.107 20 0 FGADMP COCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cc(Br)ccc1F ZINC000482235268 502014966 /nfs/dbraw/zinc/01/49/66/502014966.db2.gz PTDIBYVDSLGXJH-GXTWGEPZSA-N 2 1 359.283 3.350 20 0 FGADMP COCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cc(Br)ccc1F ZINC000482235268 502014972 /nfs/dbraw/zinc/01/49/72/502014972.db2.gz PTDIBYVDSLGXJH-GXTWGEPZSA-N 2 1 359.283 3.350 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042312 502032242 /nfs/dbraw/zinc/03/22/42/502032242.db2.gz WVVAEXPYWMVXNA-GGAORHGYSA-N 2 1 365.521 3.069 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000475112910 502064296 /nfs/dbraw/zinc/06/42/96/502064296.db2.gz UMSUEHHVDHZTML-QZTJIDSGSA-N 2 1 364.578 3.346 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473524 502071051 /nfs/dbraw/zinc/07/10/51/502071051.db2.gz XWJGXSZJSHFWFS-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000468473524 502071058 /nfs/dbraw/zinc/07/10/58/502071058.db2.gz XWJGXSZJSHFWFS-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCCC[C@H]1C ZINC000468473524 502071061 /nfs/dbraw/zinc/07/10/61/502071061.db2.gz XWJGXSZJSHFWFS-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000468473524 502071066 /nfs/dbraw/zinc/07/10/66/502071066.db2.gz XWJGXSZJSHFWFS-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H]2CCCC[C@H]2C)CC1 ZINC000475151850 502081604 /nfs/dbraw/zinc/08/16/04/502081604.db2.gz SGCZSMAMLYMHPR-CTNGQTDRSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791405 502086349 /nfs/dbraw/zinc/08/63/49/502086349.db2.gz DRUHYNZEUUHBLS-AZUAARDMSA-N 2 1 372.557 3.243 20 0 FGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378074 502086995 /nfs/dbraw/zinc/08/69/95/502086995.db2.gz XALWATNPFPZNDC-HXUWFJFHSA-N 2 1 372.557 3.267 20 0 FGADMP CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475163175 502087546 /nfs/dbraw/zinc/08/75/46/502087546.db2.gz FWVDKWUCRSLSSJ-UYAOXDASSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771280 502087613 /nfs/dbraw/zinc/08/76/13/502087613.db2.gz CSVPUUHDEJCPNC-AZUAARDMSA-N 2 1 362.558 3.388 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000464771280 502087620 /nfs/dbraw/zinc/08/76/20/502087620.db2.gz CSVPUUHDEJCPNC-AZUAARDMSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475183033 502092952 /nfs/dbraw/zinc/09/29/52/502092952.db2.gz MSMJSDORYJCYNI-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475183033 502092953 /nfs/dbraw/zinc/09/29/53/502092953.db2.gz MSMJSDORYJCYNI-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475183033 502092954 /nfs/dbraw/zinc/09/29/54/502092954.db2.gz MSMJSDORYJCYNI-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000475189344 502095169 /nfs/dbraw/zinc/09/51/69/502095169.db2.gz AFSCDCVOWOHZIE-KURKYZTESA-N 2 1 364.530 3.286 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000475189344 502095173 /nfs/dbraw/zinc/09/51/73/502095173.db2.gz AFSCDCVOWOHZIE-KURKYZTESA-N 2 1 364.530 3.286 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1cccc(Cl)c1 ZINC000461418310 502107064 /nfs/dbraw/zinc/10/70/64/502107064.db2.gz AZUMUIFNQFVVHS-QFBILLFUSA-N 2 1 363.933 3.277 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000482556762 502110156 /nfs/dbraw/zinc/11/01/56/502110156.db2.gz QHJCJPOXEYGTQZ-SFHVURJKSA-N 2 1 351.922 3.171 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830458 502110231 /nfs/dbraw/zinc/11/02/31/502110231.db2.gz OIMWJTIUQKAZHJ-PMACEKPBSA-N 2 1 366.594 3.020 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560202 502110845 /nfs/dbraw/zinc/11/08/45/502110845.db2.gz ZTBWQZMULPMCNV-DLBZAZTESA-N 2 1 369.509 3.086 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636764 502135374 /nfs/dbraw/zinc/13/53/74/502135374.db2.gz MNXQVNFCROUFEQ-DENIHFKCSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636764 502135380 /nfs/dbraw/zinc/13/53/80/502135380.db2.gz MNXQVNFCROUFEQ-DENIHFKCSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000482636764 502135385 /nfs/dbraw/zinc/13/53/85/502135385.db2.gz MNXQVNFCROUFEQ-DENIHFKCSA-N 2 1 373.585 3.376 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000464892920 502138867 /nfs/dbraw/zinc/13/88/67/502138867.db2.gz YQIZWWDXDYRJKO-PMACEKPBSA-N 2 1 363.590 3.469 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468683545 502144892 /nfs/dbraw/zinc/14/48/92/502144892.db2.gz GOZDNJKOSRUARZ-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468683544 502145597 /nfs/dbraw/zinc/14/55/97/502145597.db2.gz GOZDNJKOSRUARZ-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+](CC)CC ZINC000468714434 502156998 /nfs/dbraw/zinc/15/69/98/502156998.db2.gz HZHJCCNHXRVPHB-OAQYLSRUSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725270 502162752 /nfs/dbraw/zinc/16/27/52/502162752.db2.gz VGLYHMYRHLMZEU-GUDVDZBRSA-N 2 1 351.579 3.118 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000461729331 502182332 /nfs/dbraw/zinc/18/23/32/502182332.db2.gz PYOUQONRECMCBS-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(=O)N2Cc3ccccc3C2)CC1 ZINC000475515883 502200786 /nfs/dbraw/zinc/20/07/86/502200786.db2.gz GUIQOHWMJFDSGD-UWJYYQICSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(F)c(Cl)c1 ZINC000482867479 502202978 /nfs/dbraw/zinc/20/29/78/502202978.db2.gz OHNZDZVRWAZXFG-ZDUSSCGKSA-N 2 1 355.885 3.072 20 0 FGADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482872746 502204169 /nfs/dbraw/zinc/20/41/69/502204169.db2.gz CLVGFCLRWNFMFR-OAQYLSRUSA-N 2 1 359.558 3.176 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472072553 502219697 /nfs/dbraw/zinc/21/96/97/502219697.db2.gz FIFVAWOVIZMDPE-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000482981760 502236072 /nfs/dbraw/zinc/23/60/72/502236072.db2.gz PVKQYPWKXNDLPI-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000482981760 502236080 /nfs/dbraw/zinc/23/60/80/502236080.db2.gz PVKQYPWKXNDLPI-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000482981760 502236086 /nfs/dbraw/zinc/23/60/86/502236086.db2.gz PVKQYPWKXNDLPI-UXHICEINSA-N 2 1 355.526 3.032 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472111624 502236462 /nfs/dbraw/zinc/23/64/62/502236462.db2.gz YHNACJWEGUFLNE-OLMNPRSZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472111624 502236468 /nfs/dbraw/zinc/23/64/68/502236468.db2.gz YHNACJWEGUFLNE-OLMNPRSZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@@H](C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1 ZINC000472126593 502241597 /nfs/dbraw/zinc/24/15/97/502241597.db2.gz RPFCRNLNUIYIRD-MSOLQXFVSA-N 2 1 371.525 3.305 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000472139918 502245590 /nfs/dbraw/zinc/24/55/90/502245590.db2.gz IYJNOHFNAIKUMG-ROUUACIJSA-N 2 1 371.525 3.163 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479394969 502245734 /nfs/dbraw/zinc/24/57/34/502245734.db2.gz UTIFXVWPRKQQLX-FTEYMNFISA-N 2 1 360.546 3.097 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443790 502261825 /nfs/dbraw/zinc/26/18/25/502261825.db2.gz ZVEZNFBWVYAENO-RXVVDRJESA-N 2 1 368.525 3.340 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443790 502261830 /nfs/dbraw/zinc/26/18/30/502261830.db2.gz ZVEZNFBWVYAENO-RXVVDRJESA-N 2 1 368.525 3.340 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000479526243 502286220 /nfs/dbraw/zinc/28/62/20/502286220.db2.gz KRJOEPVCVCSBRF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479526243 502286223 /nfs/dbraw/zinc/28/62/23/502286223.db2.gz KRJOEPVCVCSBRF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479526243 502286228 /nfs/dbraw/zinc/28/62/28/502286228.db2.gz KRJOEPVCVCSBRF-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265429 502289238 /nfs/dbraw/zinc/28/92/38/502289238.db2.gz NNCQKYPNZFADMI-CABCVRRESA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265429 502289243 /nfs/dbraw/zinc/28/92/43/502289243.db2.gz NNCQKYPNZFADMI-CABCVRRESA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000472272321 502293408 /nfs/dbraw/zinc/29/34/08/502293408.db2.gz DFSQPPCCDSXVEQ-KRWDZBQOSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C)C1 ZINC000472272321 502293410 /nfs/dbraw/zinc/29/34/10/502293410.db2.gz DFSQPPCCDSXVEQ-KRWDZBQOSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282502 502297857 /nfs/dbraw/zinc/29/78/57/502297857.db2.gz XMTOVJSISCLOEC-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282502 502297863 /nfs/dbraw/zinc/29/78/63/502297863.db2.gz XMTOVJSISCLOEC-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282505 502298567 /nfs/dbraw/zinc/29/85/67/502298567.db2.gz XMTOVJSISCLOEC-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282505 502298570 /nfs/dbraw/zinc/29/85/70/502298570.db2.gz XMTOVJSISCLOEC-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000465544391 502300043 /nfs/dbraw/zinc/30/00/43/502300043.db2.gz OKWWFJXCNKSNLT-AABGKKOBSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000465553275 502305697 /nfs/dbraw/zinc/30/56/97/502305697.db2.gz QXOICVYWBCMRFI-OPYAIIAOSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000465553275 502305701 /nfs/dbraw/zinc/30/57/01/502305701.db2.gz QXOICVYWBCMRFI-OPYAIIAOSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000465553275 502305703 /nfs/dbraw/zinc/30/57/03/502305703.db2.gz QXOICVYWBCMRFI-OPYAIIAOSA-N 2 1 372.557 3.343 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300821 502306117 /nfs/dbraw/zinc/30/61/17/502306117.db2.gz YBYWNXAFAZBHCP-SJLPKXTDSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300821 502306123 /nfs/dbraw/zinc/30/61/23/502306123.db2.gz YBYWNXAFAZBHCP-SJLPKXTDSA-N 2 1 358.486 3.230 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690391 502345645 /nfs/dbraw/zinc/34/56/45/502345645.db2.gz NURPSWORCOPWDK-IYWMVGAKSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](CC2CC2)C2CCC2)CC1 ZINC000483310609 502347292 /nfs/dbraw/zinc/34/72/92/502347292.db2.gz RCVDAMRRANVTFH-SFHVURJKSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000483310609 502347296 /nfs/dbraw/zinc/34/72/96/502347296.db2.gz RCVDAMRRANVTFH-SFHVURJKSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731962 502362538 /nfs/dbraw/zinc/36/25/38/502362538.db2.gz VTYDUFNLRXFZFQ-YFVAEKQCSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000472566583 502386175 /nfs/dbraw/zinc/38/61/75/502386175.db2.gz CYYUSYMJIPJJJV-SFHLNBCPSA-N 3 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000465923179 502429002 /nfs/dbraw/zinc/42/90/02/502429002.db2.gz SMFIHPDFLIGZRM-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000483566138 502432903 /nfs/dbraw/zinc/43/29/03/502432903.db2.gz VZVKQPINYFHAIW-SFTDATJTSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000483566138 502432909 /nfs/dbraw/zinc/43/29/09/502432909.db2.gz VZVKQPINYFHAIW-SFTDATJTSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000483566138 502432914 /nfs/dbraw/zinc/43/29/14/502432914.db2.gz VZVKQPINYFHAIW-SFTDATJTSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483580852 502436411 /nfs/dbraw/zinc/43/64/11/502436411.db2.gz HYJDZQXELXHYAT-MXNKGDRCSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580852 502436415 /nfs/dbraw/zinc/43/64/15/502436415.db2.gz HYJDZQXELXHYAT-MXNKGDRCSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580852 502436419 /nfs/dbraw/zinc/43/64/19/502436419.db2.gz HYJDZQXELXHYAT-MXNKGDRCSA-N 2 1 369.553 3.372 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005173 502451640 /nfs/dbraw/zinc/45/16/40/502451640.db2.gz UILKRCCCKYBVAU-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[N@H+]1C ZINC000487471853 502452933 /nfs/dbraw/zinc/45/29/33/502452933.db2.gz QGLAUWPIILCXLC-MJGOQNOKSA-N 2 1 360.546 3.097 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H]1C ZINC000483682958 502461870 /nfs/dbraw/zinc/46/18/70/502461870.db2.gz LDBCEFXRVZMFJB-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@@H]1C ZINC000483699165 502467672 /nfs/dbraw/zinc/46/76/72/502467672.db2.gz ZBNDUNDKBTWDIL-LXZJYRNTSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483735686 502478932 /nfs/dbraw/zinc/47/89/32/502478932.db2.gz ZNQXIHUKIHILBU-HSALFYBXSA-N 2 1 366.594 3.257 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@@H]1C[NH3+] ZINC000582595376 506316561 /nfs/dbraw/zinc/31/65/61/506316561.db2.gz ZTCPVUZUKPQNPJ-LQWHRVPQSA-N 2 1 372.557 3.187 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)C[C@H]1C ZINC000483792450 502493882 /nfs/dbraw/zinc/49/38/82/502493882.db2.gz VBPMZEIXSHJWIL-YLJYHZDGSA-N 2 1 364.578 3.298 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794499 502494594 /nfs/dbraw/zinc/49/45/94/502494594.db2.gz QIJLIVUNPLHZKK-BJLQDIEVSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794499 502494601 /nfs/dbraw/zinc/49/46/01/502494601.db2.gz QIJLIVUNPLHZKK-BJLQDIEVSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794499 502494606 /nfs/dbraw/zinc/49/46/06/502494606.db2.gz QIJLIVUNPLHZKK-BJLQDIEVSA-N 2 1 360.546 3.021 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1C ZINC000588711989 506316770 /nfs/dbraw/zinc/31/67/70/506316770.db2.gz WOGUBZMVSSVAQV-ROUUACIJSA-N 2 1 373.541 3.063 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000466242321 502514105 /nfs/dbraw/zinc/51/41/05/502514105.db2.gz URQNKFVPIZIUKM-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1C ZINC000473131349 502523934 /nfs/dbraw/zinc/52/39/34/502523934.db2.gz GLXRYGVDRFWZTO-HTAPYJJXSA-N 2 1 354.542 3.243 20 0 FGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1C ZINC000473131349 502523941 /nfs/dbraw/zinc/52/39/41/502523941.db2.gz GLXRYGVDRFWZTO-HTAPYJJXSA-N 2 1 354.542 3.243 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000466358399 502546773 /nfs/dbraw/zinc/54/67/73/502546773.db2.gz BRICLKAIVOZPDJ-WBADGQHESA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000466358399 502546777 /nfs/dbraw/zinc/54/67/77/502546777.db2.gz BRICLKAIVOZPDJ-WBADGQHESA-N 2 1 372.553 3.462 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466396948 502557705 /nfs/dbraw/zinc/55/77/05/502557705.db2.gz SAOHAPCSBRCNIO-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396948 502557709 /nfs/dbraw/zinc/55/77/09/502557709.db2.gz SAOHAPCSBRCNIO-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396948 502557713 /nfs/dbraw/zinc/55/77/13/502557713.db2.gz SAOHAPCSBRCNIO-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000480419342 502564641 /nfs/dbraw/zinc/56/46/41/502564641.db2.gz RSYKBMMTIZZEKS-CEWLAPEOSA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480419342 502564646 /nfs/dbraw/zinc/56/46/46/502564646.db2.gz RSYKBMMTIZZEKS-CEWLAPEOSA-N 2 1 374.569 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000480419342 502564650 /nfs/dbraw/zinc/56/46/50/502564650.db2.gz RSYKBMMTIZZEKS-CEWLAPEOSA-N 2 1 374.569 3.448 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487925164 502569502 /nfs/dbraw/zinc/56/95/02/502569502.db2.gz VUXPWAJXQAJZFD-WJMWBRGCSA-N 2 1 372.557 3.069 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790805 502574835 /nfs/dbraw/zinc/57/48/35/502574835.db2.gz IYJYTVXHBFJIFE-VAMGGRTRSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000462790805 502574840 /nfs/dbraw/zinc/57/48/40/502574840.db2.gz IYJYTVXHBFJIFE-VAMGGRTRSA-N 2 1 374.525 3.325 20 0 FGADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)CCCC2 ZINC000462814718 502585907 /nfs/dbraw/zinc/58/59/07/502585907.db2.gz FYZHSFPACROZDM-SESVDKBCSA-N 2 1 364.537 3.299 20 0 FGADMP COc1ccc([C@H](C)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)cc1 ZINC000484161195 502589341 /nfs/dbraw/zinc/58/93/41/502589341.db2.gz NNLXEZRQVRSNNG-WEYGHZABSA-N 2 1 354.494 3.229 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866753 502605550 /nfs/dbraw/zinc/60/55/50/502605550.db2.gz PKIQFMQMUXHTIG-GOTSBHOMSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@H]1CC[NH+](Cc2cccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866753 502605556 /nfs/dbraw/zinc/60/55/56/502605556.db2.gz PKIQFMQMUXHTIG-GOTSBHOMSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@H]1CC[NH+](Cc2cccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866753 502605563 /nfs/dbraw/zinc/60/55/63/502605563.db2.gz PKIQFMQMUXHTIG-GOTSBHOMSA-N 2 1 365.521 3.330 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480602951 502616417 /nfs/dbraw/zinc/61/64/17/502616417.db2.gz QRUPWMCNFORZME-BRWVUGGUSA-N 2 1 367.559 3.077 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000473510736 502616802 /nfs/dbraw/zinc/61/68/02/502616802.db2.gz XUQSNQDMBYRUPT-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000469994683 502622568 /nfs/dbraw/zinc/62/25/68/502622568.db2.gz ULKUVOHYUVATNT-YVEFUNNKSA-N 2 1 363.303 3.112 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000469994683 502622575 /nfs/dbraw/zinc/62/25/75/502622575.db2.gz ULKUVOHYUVATNT-YVEFUNNKSA-N 2 1 363.303 3.112 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000480629151 502627577 /nfs/dbraw/zinc/62/75/77/502627577.db2.gz CQUVQGRASXOCIK-GHTZIAJQSA-N 2 1 373.541 3.040 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000480629151 502627581 /nfs/dbraw/zinc/62/75/81/502627581.db2.gz CQUVQGRASXOCIK-GHTZIAJQSA-N 2 1 373.541 3.040 20 0 FGADMP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cn1 ZINC000480673617 502637843 /nfs/dbraw/zinc/63/78/43/502637843.db2.gz ROSASHXRUCELCB-UHFFFAOYSA-N 2 1 368.525 3.048 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477034349 502655539 /nfs/dbraw/zinc/65/55/39/502655539.db2.gz OYVOLGKCENBOPC-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034349 502655543 /nfs/dbraw/zinc/65/55/43/502655543.db2.gz OYVOLGKCENBOPC-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034349 502655551 /nfs/dbraw/zinc/65/55/51/502655551.db2.gz OYVOLGKCENBOPC-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463069123 502682032 /nfs/dbraw/zinc/68/20/32/502682032.db2.gz NVKJQGXAGITBQY-NRSPTQNISA-N 2 1 363.505 3.435 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463069123 502682039 /nfs/dbraw/zinc/68/20/39/502682039.db2.gz NVKJQGXAGITBQY-NRSPTQNISA-N 2 1 363.505 3.435 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077926 502686563 /nfs/dbraw/zinc/68/65/63/502686563.db2.gz MKEFLHDMFNOZAR-PTUXOGIPSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077926 502686566 /nfs/dbraw/zinc/68/65/66/502686566.db2.gz MKEFLHDMFNOZAR-PTUXOGIPSA-N 2 1 352.522 3.480 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)[C@@H](C)C1 ZINC000470161756 502686828 /nfs/dbraw/zinc/68/68/28/502686828.db2.gz XEHQAZGQSRUWJN-RBUKOAKNSA-N 2 1 351.579 3.120 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000463115525 502699899 /nfs/dbraw/zinc/69/98/99/502699899.db2.gz KTUCXDZHXVLZAP-UHFFFAOYSA-N 2 1 371.573 3.084 20 0 FGADMP C[C@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183987 502701597 /nfs/dbraw/zinc/70/15/97/502701597.db2.gz BMUCCOITPPDLEI-FXAWDEMLSA-N 2 1 374.573 3.173 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000463123583 502702531 /nfs/dbraw/zinc/70/25/31/502702531.db2.gz ORZHRSURMKSGMB-RHSMWYFYSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C(F)(F)F)c2)[C@H](C)C1 ZINC000463123583 502702533 /nfs/dbraw/zinc/70/25/33/502702533.db2.gz ORZHRSURMKSGMB-RHSMWYFYSA-N 2 1 359.436 3.327 20 0 FGADMP CCOc1c(OC)cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000480926436 502707321 /nfs/dbraw/zinc/70/73/21/502707321.db2.gz IXELWPWWWKFKEU-UHFFFAOYSA-N 2 1 350.503 3.314 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000470291695 502726815 /nfs/dbraw/zinc/72/68/15/502726815.db2.gz HEMQTXSSBREYJZ-FQEVSTJZSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271123 502741713 /nfs/dbraw/zinc/74/17/13/502741713.db2.gz IOCFWVRHQKWTMA-RXVVDRJESA-N 2 1 372.557 3.119 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473957588 502762226 /nfs/dbraw/zinc/76/22/26/502762226.db2.gz DBKUMQZGTFYFPI-QFUCXCTJSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957588 502762229 /nfs/dbraw/zinc/76/22/29/502762229.db2.gz DBKUMQZGTFYFPI-QFUCXCTJSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957588 502762232 /nfs/dbraw/zinc/76/22/32/502762232.db2.gz DBKUMQZGTFYFPI-QFUCXCTJSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957586 502762311 /nfs/dbraw/zinc/76/23/11/502762311.db2.gz DBKUMQZGTFYFPI-FBBABVLZSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957586 502762314 /nfs/dbraw/zinc/76/23/14/502762314.db2.gz DBKUMQZGTFYFPI-FBBABVLZSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957586 502762317 /nfs/dbraw/zinc/76/23/17/502762317.db2.gz DBKUMQZGTFYFPI-FBBABVLZSA-N 2 1 370.541 3.090 20 0 FGADMP c1ccc2cc(OCCC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2c1 ZINC000484901713 502770825 /nfs/dbraw/zinc/77/08/25/502770825.db2.gz ADBMYFPMHKKUET-YPAWHYETSA-N 2 1 354.494 3.355 20 0 FGADMP c1ccc2cc(OCCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2c1 ZINC000484901712 502770893 /nfs/dbraw/zinc/77/08/93/502770893.db2.gz ADBMYFPMHKKUET-VSKRKVRLSA-N 2 1 354.494 3.355 20 0 FGADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183290 502775754 /nfs/dbraw/zinc/77/57/54/502775754.db2.gz AWWRRHWDRZXRPV-QCFAMHMHSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183290 502775759 /nfs/dbraw/zinc/77/57/59/502775759.db2.gz AWWRRHWDRZXRPV-QCFAMHMHSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474014856 502778932 /nfs/dbraw/zinc/77/89/32/502778932.db2.gz KOLDJFWEDARLKJ-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474014856 502778937 /nfs/dbraw/zinc/77/89/37/502778937.db2.gz KOLDJFWEDARLKJ-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474014856 502778944 /nfs/dbraw/zinc/77/89/44/502778944.db2.gz KOLDJFWEDARLKJ-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000470493506 502794500 /nfs/dbraw/zinc/79/45/00/502794500.db2.gz VNOIKDWXAUJMSZ-UHFFFAOYSA-N 2 1 374.573 3.331 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991297 502794995 /nfs/dbraw/zinc/79/49/95/502794995.db2.gz WNHZQJRRZVDAIE-HQRMLTQVSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991297 502794998 /nfs/dbraw/zinc/79/49/98/502794998.db2.gz WNHZQJRRZVDAIE-HQRMLTQVSA-N 2 1 357.542 3.317 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504912985 502822469 /nfs/dbraw/zinc/82/24/69/502822469.db2.gz ATWVMNPHVQXWCB-OAQYLSRUSA-N 2 1 372.557 3.263 20 0 FGADMP COc1cccc(N2C[C@H]([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2=O)c1 ZINC000513054001 502840422 /nfs/dbraw/zinc/84/04/22/502840422.db2.gz ZGLQJNDSEOHKDJ-GOSISDBHSA-N 2 1 371.525 3.187 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961082 502847771 /nfs/dbraw/zinc/84/77/71/502847771.db2.gz OAAJDCHGKPVWQA-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000488961082 502847775 /nfs/dbraw/zinc/84/77/75/502847775.db2.gz OAAJDCHGKPVWQA-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000488961082 502847779 /nfs/dbraw/zinc/84/77/79/502847779.db2.gz OAAJDCHGKPVWQA-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000500816109 502869489 /nfs/dbraw/zinc/86/94/89/502869489.db2.gz WWPBHHHVMJINHL-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000500818059 502870349 /nfs/dbraw/zinc/87/03/49/502870349.db2.gz NUWZTXNYBQVBLY-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCN1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000500875498 502883636 /nfs/dbraw/zinc/88/36/36/502883636.db2.gz LFMRNJSESNWDIC-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000500875498 502883638 /nfs/dbraw/zinc/88/36/38/502883638.db2.gz LFMRNJSESNWDIC-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000500875498 502883641 /nfs/dbraw/zinc/88/36/41/502883641.db2.gz LFMRNJSESNWDIC-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(F)c(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027103 502915019 /nfs/dbraw/zinc/91/50/19/502915019.db2.gz JXVIMLVXHMEIAY-UHFFFAOYSA-N 2 1 374.435 3.147 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000501043679 502920780 /nfs/dbraw/zinc/92/07/80/502920780.db2.gz DIXKDLDZIOHIPO-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000501043679 502920784 /nfs/dbraw/zinc/92/07/84/502920784.db2.gz DIXKDLDZIOHIPO-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000501043679 502920790 /nfs/dbraw/zinc/92/07/90/502920790.db2.gz DIXKDLDZIOHIPO-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000501073518 502928927 /nfs/dbraw/zinc/92/89/27/502928927.db2.gz ADDBJPXPGHQMLJ-NRFANRHFSA-N 2 1 364.493 3.035 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccco1 ZINC000509568564 502937039 /nfs/dbraw/zinc/93/70/39/502937039.db2.gz MITDXJXSMNUFNB-XWTMOSNGSA-N 2 1 364.534 3.223 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710986 502973526 /nfs/dbraw/zinc/97/35/26/502973526.db2.gz HFMDRCPVVNWALC-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710986 502973531 /nfs/dbraw/zinc/97/35/31/502973531.db2.gz HFMDRCPVVNWALC-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710986 502973536 /nfs/dbraw/zinc/97/35/36/502973536.db2.gz HFMDRCPVVNWALC-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511263 502976209 /nfs/dbraw/zinc/97/62/09/502976209.db2.gz SINCLEKZXUHPLV-YLJYHZDGSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511263 502976214 /nfs/dbraw/zinc/97/62/14/502976214.db2.gz SINCLEKZXUHPLV-YLJYHZDGSA-N 2 1 359.514 3.283 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)C1CC1 ZINC000505835281 502996228 /nfs/dbraw/zinc/99/62/28/502996228.db2.gz WPUHCTARAQQJQR-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835281 502996233 /nfs/dbraw/zinc/99/62/33/502996233.db2.gz WPUHCTARAQQJQR-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835281 502996235 /nfs/dbraw/zinc/99/62/35/502996235.db2.gz WPUHCTARAQQJQR-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000505852460 502999339 /nfs/dbraw/zinc/99/93/39/502999339.db2.gz VTEOGGBCCCDHHG-XPTLAUCJSA-N 2 1 355.526 3.153 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2/C=C\c2ccccc2)CC1 ZINC000505852460 502999344 /nfs/dbraw/zinc/99/93/44/502999344.db2.gz VTEOGGBCCCDHHG-XPTLAUCJSA-N 2 1 355.526 3.153 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000497614873 503001249 /nfs/dbraw/zinc/00/12/49/503001249.db2.gz BFPCHWPOMHLKFI-JOCHJYFZSA-N 2 1 369.553 3.422 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000501443370 503010521 /nfs/dbraw/zinc/01/05/21/503010521.db2.gz MUDZAARZSNRCHV-UHFFFAOYSA-N 2 1 354.494 3.380 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490166 503019180 /nfs/dbraw/zinc/01/91/80/503019180.db2.gz IVLHAYVXFAMXNE-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490166 503019187 /nfs/dbraw/zinc/01/91/87/503019187.db2.gz IVLHAYVXFAMXNE-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490166 503019189 /nfs/dbraw/zinc/01/91/89/503019189.db2.gz IVLHAYVXFAMXNE-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1C ZINC000513817063 503029374 /nfs/dbraw/zinc/02/93/74/503029374.db2.gz ZYPCJDXRNDJDTI-LJQANCHMSA-N 2 1 373.541 3.065 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535666 503032177 /nfs/dbraw/zinc/03/21/77/503032177.db2.gz XARAPVSAAMPLCW-DYXWJJEUSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000501721290 503067115 /nfs/dbraw/zinc/06/71/15/503067115.db2.gz VPVDXKKQWAXWAX-SBHAEUEKSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000501721290 503067120 /nfs/dbraw/zinc/06/71/20/503067120.db2.gz VPVDXKKQWAXWAX-SBHAEUEKSA-N 2 1 372.557 3.053 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000501792454 503081215 /nfs/dbraw/zinc/08/12/15/503081215.db2.gz JOOHGLRTPIDXBO-UHFFFAOYSA-N 2 1 372.557 3.186 20 0 FGADMP COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OCc1cccnc1 ZINC000489986559 503082474 /nfs/dbraw/zinc/08/24/74/503082474.db2.gz FQRBBNOSJKVWAC-IBGZPJMESA-N 2 1 355.482 3.373 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[NH+]1CCCCC1 ZINC000501821472 503087635 /nfs/dbraw/zinc/08/76/35/503087635.db2.gz FRVIBQGVISHUNP-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000514197522 503110586 /nfs/dbraw/zinc/11/05/86/503110586.db2.gz ORFSNDJFSIKGQF-QUCCMNQESA-N 2 1 372.557 3.386 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000514225770 503117639 /nfs/dbraw/zinc/11/76/39/503117639.db2.gz PKDSGGAYYRXHRM-KZNAEPCWSA-N 2 1 364.534 3.082 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000498220604 503133979 /nfs/dbraw/zinc/13/39/79/503133979.db2.gz BCDHYHIDIHLTKT-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(Cn2ccnc2)c1 ZINC000502050887 503134122 /nfs/dbraw/zinc/13/41/22/503134122.db2.gz PMZZSOOGAFWHQM-FQEVSTJZSA-N 2 1 354.498 3.172 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527365 503134427 /nfs/dbraw/zinc/13/44/27/503134427.db2.gz XHSDUSHLUXOBCH-AVRDEDQJSA-N 2 1 353.510 3.234 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000510527365 503134433 /nfs/dbraw/zinc/13/44/33/503134433.db2.gz XHSDUSHLUXOBCH-AVRDEDQJSA-N 2 1 353.510 3.234 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542874 503139035 /nfs/dbraw/zinc/13/90/35/503139035.db2.gz CRTAIOAJLMXNFQ-QIJUGHKUSA-N 2 1 365.521 3.377 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)C ZINC000510542874 503139038 /nfs/dbraw/zinc/13/90/38/503139038.db2.gz CRTAIOAJLMXNFQ-QIJUGHKUSA-N 2 1 365.521 3.377 20 0 FGADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000514588192 503142888 /nfs/dbraw/zinc/14/28/88/503142888.db2.gz YFQNVZYWKXQHRI-IWFBPKFRSA-N 2 1 354.498 3.377 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000502121711 503146491 /nfs/dbraw/zinc/14/64/91/503146491.db2.gz JVDDXPHDLWEGTI-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000502170217 503154781 /nfs/dbraw/zinc/15/47/81/503154781.db2.gz QQQHXAOASZAJNZ-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000514668550 503162727 /nfs/dbraw/zinc/16/27/27/503162727.db2.gz IMUKAZIZDWGVPD-AJSBUHFISA-N 2 1 368.521 3.207 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000514668550 503162731 /nfs/dbraw/zinc/16/27/31/503162731.db2.gz IMUKAZIZDWGVPD-AJSBUHFISA-N 2 1 368.521 3.207 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)c2)C1 ZINC000510673225 503169745 /nfs/dbraw/zinc/16/97/45/503169745.db2.gz ZUYNTFMZFOXNLX-QHAWAJNXSA-N 2 1 355.526 3.052 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC(C[NH+](C)C)CC2)c(OC)c1 ZINC000506882793 503188769 /nfs/dbraw/zinc/18/87/69/503188769.db2.gz YPPPCKFYTHLTFE-UHFFFAOYSA-N 2 1 371.319 3.240 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506935937 503196770 /nfs/dbraw/zinc/19/67/70/503196770.db2.gz UQJDLIIMQYCNDH-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000514869258 503215343 /nfs/dbraw/zinc/21/53/43/503215343.db2.gz KJLWUGGDNQRHSZ-GOSISDBHSA-N 2 1 365.521 3.350 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cncnc3C)CC2)cs1 ZINC000582677277 506360477 /nfs/dbraw/zinc/36/04/77/506360477.db2.gz PKLGQURLPNOFSX-CQSZACIVSA-N 2 1 359.543 3.367 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000502706368 503255385 /nfs/dbraw/zinc/25/53/85/503255385.db2.gz FTWNWCPKWRHKHX-VXKWHMMOSA-N 2 1 359.558 3.119 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)COc3ccccc3F)C2)CC1 ZINC000498858423 503277483 /nfs/dbraw/zinc/27/74/83/503277483.db2.gz UNGGFHHVKHKSPQ-MOPGFXCFSA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)COc3ccccc3F)C2)CC1 ZINC000498858423 503277489 /nfs/dbraw/zinc/27/74/89/503277489.db2.gz UNGGFHHVKHKSPQ-MOPGFXCFSA-N 2 1 364.505 3.009 20 0 FGADMP C[N@H+]1CCC[C@H](CNCc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243223 503285690 /nfs/dbraw/zinc/28/56/90/503285690.db2.gz OWUNVAWFZJJZMG-QRWLVFNGSA-N 2 1 371.506 3.252 20 0 FGADMP CN1CCC[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243223 503285693 /nfs/dbraw/zinc/28/56/93/503285693.db2.gz OWUNVAWFZJJZMG-QRWLVFNGSA-N 2 1 371.506 3.252 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243223 503285695 /nfs/dbraw/zinc/28/56/95/503285695.db2.gz OWUNVAWFZJJZMG-QRWLVFNGSA-N 2 1 371.506 3.252 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243223 503285697 /nfs/dbraw/zinc/28/56/97/503285697.db2.gz OWUNVAWFZJJZMG-QRWLVFNGSA-N 2 1 371.506 3.252 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000502843324 503285962 /nfs/dbraw/zinc/28/59/62/503285962.db2.gz MFYLJUIHONPKNY-UYAOXDASSA-N 2 1 360.546 3.101 20 0 FGADMP COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507456838 503301677 /nfs/dbraw/zinc/30/16/77/503301677.db2.gz ACZNDDMXBRJIBH-HMXCVIKNSA-N 2 1 351.494 3.133 20 0 FGADMP CC(C)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000515290443 503307141 /nfs/dbraw/zinc/30/71/41/503307141.db2.gz UAGBDAWBARDOBI-ZWKOTPCHSA-N 2 1 364.534 3.082 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000502941980 503311904 /nfs/dbraw/zinc/31/19/04/503311904.db2.gz SLOSNYVGASIVLN-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)CC[C@H]2C)C1 ZINC000502941980 503311905 /nfs/dbraw/zinc/31/19/05/503311905.db2.gz SLOSNYVGASIVLN-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C1 ZINC000502941980 503311908 /nfs/dbraw/zinc/31/19/08/503311908.db2.gz SLOSNYVGASIVLN-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000499052267 503322453 /nfs/dbraw/zinc/32/24/53/503322453.db2.gz ISBFDBNJJAQYCT-HXUWFJFHSA-N 2 1 367.493 3.495 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C(C)C ZINC000499052267 503322457 /nfs/dbraw/zinc/32/24/57/503322457.db2.gz ISBFDBNJJAQYCT-HXUWFJFHSA-N 2 1 367.493 3.495 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)C1 ZINC000515352528 503322543 /nfs/dbraw/zinc/32/25/43/503322543.db2.gz GLVNJJKWWKQACM-UYAOXDASSA-N 2 1 371.550 3.452 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503033010 503330087 /nfs/dbraw/zinc/33/00/87/503330087.db2.gz NDNYEAXTGPAVCN-MJGOQNOKSA-N 2 1 360.546 3.289 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480693 503347549 /nfs/dbraw/zinc/34/75/49/503347549.db2.gz UFNANGDMONGKON-DLBZAZTESA-N 2 1 365.949 3.397 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000507903254 503391905 /nfs/dbraw/zinc/39/19/05/503391905.db2.gz PWYOUBLPZHQNHA-MOPGFXCFSA-N 2 1 373.541 3.263 20 0 FGADMP C[C@H]1CCC[C@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000507903255 503392495 /nfs/dbraw/zinc/39/24/95/503392495.db2.gz PWYOUBLPZHQNHA-OALUTQOASA-N 2 1 373.541 3.263 20 0 FGADMP C[NH+](C)Cc1cnc(CNc2cccc(C[NH+]3CCSCC3)c2)s1 ZINC000512073153 503450872 /nfs/dbraw/zinc/45/08/72/503450872.db2.gz QCFWJXDOMFKSFJ-UHFFFAOYSA-N 2 1 362.568 3.366 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000508197497 503451155 /nfs/dbraw/zinc/45/11/55/503451155.db2.gz CRELWYPGCXSAST-OAQYLSRUSA-N 2 1 357.542 3.423 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935212 503461202 /nfs/dbraw/zinc/46/12/02/503461202.db2.gz HSAIJMIJOYPOCK-GCJKJVERSA-N 2 1 366.505 3.391 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935212 503461204 /nfs/dbraw/zinc/46/12/04/503461204.db2.gz HSAIJMIJOYPOCK-GCJKJVERSA-N 2 1 366.505 3.391 20 0 FGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493961612 503465771 /nfs/dbraw/zinc/46/57/71/503465771.db2.gz QPLLMWDUZLGAKW-PGRDOPGGSA-N 2 1 354.494 3.385 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@H](C)C1 ZINC000516209688 503471396 /nfs/dbraw/zinc/47/13/96/503471396.db2.gz IUCAFRICKMXYOP-VQIMIIECSA-N 2 1 364.530 3.239 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998969 503472343 /nfs/dbraw/zinc/47/23/43/503472343.db2.gz GTLHAQXSUWXAIQ-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998969 503472346 /nfs/dbraw/zinc/47/23/46/503472346.db2.gz GTLHAQXSUWXAIQ-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998969 503472349 /nfs/dbraw/zinc/47/23/49/503472349.db2.gz GTLHAQXSUWXAIQ-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)c1ccccc1 ZINC000493998969 503472353 /nfs/dbraw/zinc/47/23/53/503472353.db2.gz GTLHAQXSUWXAIQ-BWAGFHJFSA-N 2 1 365.521 3.459 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000504008637 503509782 /nfs/dbraw/zinc/50/97/82/503509782.db2.gz IWNWRSQRHFYLDD-GOSISDBHSA-N 2 1 354.583 3.257 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422851 503546212 /nfs/dbraw/zinc/54/62/12/503546212.db2.gz BEGCAIAJHJZCPF-ZVDOUQERSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422851 503546214 /nfs/dbraw/zinc/54/62/14/503546214.db2.gz BEGCAIAJHJZCPF-ZVDOUQERSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422851 503546217 /nfs/dbraw/zinc/54/62/17/503546217.db2.gz BEGCAIAJHJZCPF-ZVDOUQERSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1Br ZINC000516649666 503560800 /nfs/dbraw/zinc/56/08/00/503560800.db2.gz YJYNUSWXFQMGGQ-YOEHRIQHSA-N 2 1 368.319 3.357 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000508854043 503578020 /nfs/dbraw/zinc/57/80/20/503578020.db2.gz SCDYSAPDKYMMSG-ICSRJNTNSA-N 2 1 360.546 3.112 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578755 503588355 /nfs/dbraw/zinc/58/83/55/503588355.db2.gz RYUAGXGJRYBKOP-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578755 503588360 /nfs/dbraw/zinc/58/83/60/503588360.db2.gz RYUAGXGJRYBKOP-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578755 503588364 /nfs/dbraw/zinc/58/83/64/503588364.db2.gz RYUAGXGJRYBKOP-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000512631626 503599365 /nfs/dbraw/zinc/59/93/65/503599365.db2.gz RYQPBLOTBFCCRQ-TVFCKZIOSA-N 2 1 356.432 3.190 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000512631625 503599815 /nfs/dbraw/zinc/59/98/15/503599815.db2.gz RYQPBLOTBFCCRQ-MLHJIOFPSA-N 2 1 356.432 3.190 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000508924951 503601206 /nfs/dbraw/zinc/60/12/06/503601206.db2.gz QVQXSIBMFBKZRD-FBYGNRARSA-N 2 1 372.557 3.253 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654075 503604110 /nfs/dbraw/zinc/60/41/10/503604110.db2.gz JCFCNSNEWXKXNJ-BHIFYINESA-N 2 1 369.553 3.279 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000494894632 503632188 /nfs/dbraw/zinc/63/21/88/503632188.db2.gz BENRNTWGPTYSAQ-FCHUYYIVSA-N 2 1 363.505 3.143 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000517151665 503658106 /nfs/dbraw/zinc/65/81/06/503658106.db2.gz LGMUYNRQKIZMRI-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517151665 503658114 /nfs/dbraw/zinc/65/81/14/503658114.db2.gz LGMUYNRQKIZMRI-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000517151665 503658122 /nfs/dbraw/zinc/65/81/22/503658122.db2.gz LGMUYNRQKIZMRI-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP COC(=O)[C@H]1CC12CC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000536668376 503670846 /nfs/dbraw/zinc/67/08/46/503670846.db2.gz BCLDHWAJVCQUCB-LJQANCHMSA-N 2 1 358.526 3.420 20 0 FGADMP COC(=O)[C@H]1CC12CC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000536668376 503670850 /nfs/dbraw/zinc/67/08/50/503670850.db2.gz BCLDHWAJVCQUCB-LJQANCHMSA-N 2 1 358.526 3.420 20 0 FGADMP CCCC[C@@H](CC)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000546225106 503677721 /nfs/dbraw/zinc/67/77/21/503677721.db2.gz DVKATTDBFIHPDG-LJQANCHMSA-N 2 1 351.579 3.469 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000540247201 503723105 /nfs/dbraw/zinc/72/31/05/503723105.db2.gz MFDPUGMXOKXSTM-IYBDPMFKSA-N 2 1 366.571 3.455 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000540247201 503723108 /nfs/dbraw/zinc/72/31/08/503723108.db2.gz MFDPUGMXOKXSTM-IYBDPMFKSA-N 2 1 366.571 3.455 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCC1 ZINC000543380193 503745040 /nfs/dbraw/zinc/74/50/40/503745040.db2.gz IRQWTDSHORSLII-SJLPKXTDSA-N 2 1 358.530 3.094 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000543395047 503751243 /nfs/dbraw/zinc/75/12/43/503751243.db2.gz VDUCPUJRGITXEK-JOCHJYFZSA-N 2 1 362.477 3.409 20 0 FGADMP COCC[NH+]1CCC([NH2+]CCn2c3ccccc3c3ccccc32)CC1 ZINC000543429625 503766363 /nfs/dbraw/zinc/76/63/63/503766363.db2.gz SNGSIXVTBXOUIS-UHFFFAOYSA-N 2 1 351.494 3.495 20 0 FGADMP CN(C)C1(C[NH2+][C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CCCC1 ZINC000540469665 503780566 /nfs/dbraw/zinc/78/05/66/503780566.db2.gz YNZPAEPBVHSKLF-IBGZPJMESA-N 2 1 357.542 3.439 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000540504355 503795793 /nfs/dbraw/zinc/79/57/93/503795793.db2.gz DQIRUTPFZRMVOQ-UHFFFAOYSA-N 2 1 358.530 3.144 20 0 FGADMP C[N@@H+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000540552342 503813939 /nfs/dbraw/zinc/81/39/39/503813939.db2.gz LZXCDKMWYWAODB-INIZCTEOSA-N 2 1 352.906 3.317 20 0 FGADMP C[NH+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000540552342 503813943 /nfs/dbraw/zinc/81/39/43/503813943.db2.gz LZXCDKMWYWAODB-INIZCTEOSA-N 2 1 352.906 3.317 20 0 FGADMP C[NH+](CCc1cc(Cl)c2c(c1)OCCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000540552342 503813949 /nfs/dbraw/zinc/81/39/49/503813949.db2.gz LZXCDKMWYWAODB-INIZCTEOSA-N 2 1 352.906 3.317 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccc(Cl)c3F)CC2)CC1 ZINC000527504491 503815290 /nfs/dbraw/zinc/81/52/90/503815290.db2.gz CQLYHVOUPUDSLX-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP C[C@H]1C[NH+](CC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000546653691 503825516 /nfs/dbraw/zinc/82/55/16/503825516.db2.gz FKOZNARIEXPXRT-KBPBESRZSA-N 2 1 368.319 3.170 20 0 FGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000540594973 503828146 /nfs/dbraw/zinc/82/81/46/503828146.db2.gz RBJCMRUMBATDNH-SFHVURJKSA-N 2 1 373.541 3.036 20 0 FGADMP COc1cccc2c1CN(C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)C2=O ZINC000530097960 503835336 /nfs/dbraw/zinc/83/53/36/503835336.db2.gz XFISMDBUWGMMHD-UHFFFAOYSA-N 2 1 371.525 3.197 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C[C@H]3CCCOC3)cc2)C[C@H]1C ZINC000540653706 503846218 /nfs/dbraw/zinc/84/62/18/503846218.db2.gz RKLGTRJKWPLTAL-SVFBPWRDSA-N 2 1 360.542 3.212 20 0 FGADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000543702298 503857739 /nfs/dbraw/zinc/85/77/39/503857739.db2.gz VSZFYOJMDIZJQP-FUHWJXTLSA-N 2 1 362.518 3.312 20 0 FGADMP C[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000543712971 503863054 /nfs/dbraw/zinc/86/30/54/503863054.db2.gz HQUZKVPGVHVNLP-LJQANCHMSA-N 2 1 366.509 3.031 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543740912 503874560 /nfs/dbraw/zinc/87/45/60/503874560.db2.gz BMQJLFAKMGRPEM-WMZOPIPTSA-N 2 1 358.555 3.345 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000543777036 503887494 /nfs/dbraw/zinc/88/74/94/503887494.db2.gz IOIIPWUXLCFYJB-UWJYYQICSA-N 2 1 353.510 3.452 20 0 FGADMP CCc1cccnc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000543777036 503887496 /nfs/dbraw/zinc/88/74/96/503887496.db2.gz IOIIPWUXLCFYJB-UWJYYQICSA-N 2 1 353.510 3.452 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(CC)CC ZINC000543777246 503887535 /nfs/dbraw/zinc/88/75/35/503887535.db2.gz RMXQGTZDVVLEDS-PCCBWWKXSA-N 2 1 360.542 3.327 20 0 FGADMP c1cc(-c2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cs2)cs1 ZINC000530240689 503889943 /nfs/dbraw/zinc/88/99/43/503889943.db2.gz NJSFMDYLXDERKV-KRWDZBQOSA-N 2 1 363.552 3.462 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500860 503934980 /nfs/dbraw/zinc/93/49/80/503934980.db2.gz OONQVJMPOZHOJH-JLSDUUJJSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500860 503934985 /nfs/dbraw/zinc/93/49/85/503934985.db2.gz OONQVJMPOZHOJH-JLSDUUJJSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500860 503934989 /nfs/dbraw/zinc/93/49/89/503934989.db2.gz OONQVJMPOZHOJH-JLSDUUJJSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500860 503934993 /nfs/dbraw/zinc/93/49/93/503934993.db2.gz OONQVJMPOZHOJH-JLSDUUJJSA-N 2 1 367.896 3.071 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402358 503974871 /nfs/dbraw/zinc/97/48/71/503974871.db2.gz XNEFNOJZCDVCGM-SBHAEUEKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402358 503974876 /nfs/dbraw/zinc/97/48/76/503974876.db2.gz XNEFNOJZCDVCGM-SBHAEUEKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402358 503974878 /nfs/dbraw/zinc/97/48/78/503974878.db2.gz XNEFNOJZCDVCGM-SBHAEUEKSA-N 2 1 372.557 3.386 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2cc(=O)n3cc(C)ccc3n2)cc1 ZINC000541027188 503980685 /nfs/dbraw/zinc/98/06/85/503980685.db2.gz PALMJNOHZQCPTL-MRXNPFEDSA-N 2 1 373.460 3.348 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCCCC2)CC1)CC(C)C ZINC000541058282 503990557 /nfs/dbraw/zinc/99/05/57/503990557.db2.gz FYVSYQFTFXOGNX-UHFFFAOYSA-N 2 1 351.579 3.469 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C(=O)N1CCCC1 ZINC000528016721 504041424 /nfs/dbraw/zinc/04/14/24/504041424.db2.gz UTXADYRAPZVRMQ-NJDAHSKKSA-N 2 1 369.553 3.135 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000530664419 504044694 /nfs/dbraw/zinc/04/46/94/504044694.db2.gz ZZKJGYZOXVIONT-ZDUSSCGKSA-N 2 1 371.437 3.159 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216285 504046485 /nfs/dbraw/zinc/04/64/85/504046485.db2.gz KUZNNNMSWMQICX-CABCVRRESA-N 2 1 367.921 3.387 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547281520 504046637 /nfs/dbraw/zinc/04/66/37/504046637.db2.gz BWPMGYXGUXZLEQ-KZULUSFZSA-N 2 1 365.930 3.489 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547281520 504046640 /nfs/dbraw/zinc/04/66/40/504046640.db2.gz BWPMGYXGUXZLEQ-KZULUSFZSA-N 2 1 365.930 3.489 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1(C)C ZINC000547320685 504060649 /nfs/dbraw/zinc/06/06/49/504060649.db2.gz CCWFFDQYFSQLFF-NZSAHSFTSA-N 2 1 365.587 3.218 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cscc2Br)C1 ZINC000518836757 504076086 /nfs/dbraw/zinc/07/60/86/504076086.db2.gz OGBJTMAMCOIAAS-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cscc2Br)C1 ZINC000518836757 504076088 /nfs/dbraw/zinc/07/60/88/504076088.db2.gz OGBJTMAMCOIAAS-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228397 504078294 /nfs/dbraw/zinc/07/82/94/504078294.db2.gz NZNNYZFPDOOQQZ-OAQYLSRUSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CNC(=O)NCC[C@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000544303738 504080013 /nfs/dbraw/zinc/08/00/13/504080013.db2.gz SCKOXEDPRNAKGZ-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000544332571 504091649 /nfs/dbraw/zinc/09/16/49/504091649.db2.gz RLOGOJDRZPWHAJ-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000528151417 504093412 /nfs/dbraw/zinc/09/34/12/504093412.db2.gz ZGOJASSHBBCQKP-YYWHXJBOSA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151417 504093421 /nfs/dbraw/zinc/09/34/21/504093421.db2.gz ZGOJASSHBBCQKP-YYWHXJBOSA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000528151417 504093427 /nfs/dbraw/zinc/09/34/27/504093427.db2.gz ZGOJASSHBBCQKP-YYWHXJBOSA-N 2 1 374.573 3.052 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000537960328 504095795 /nfs/dbraw/zinc/09/57/95/504095795.db2.gz QWIJYEZKRIBPPL-ZNLUXHQJSA-N 2 1 366.505 3.499 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000537960328 504095799 /nfs/dbraw/zinc/09/57/99/504095799.db2.gz QWIJYEZKRIBPPL-ZNLUXHQJSA-N 2 1 366.505 3.499 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987407 504103565 /nfs/dbraw/zinc/10/35/65/504103565.db2.gz OCLJWGWWIXYNAJ-GXFFZTMASA-N 2 1 351.800 3.062 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@@H](C)O1 ZINC000538007022 504111930 /nfs/dbraw/zinc/11/19/30/504111930.db2.gz PHTBJYYKMGCBIZ-QZTJIDSGSA-N 2 1 369.509 3.329 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508736 504131187 /nfs/dbraw/zinc/13/11/87/504131187.db2.gz IPBXTCLLZORBFH-DSVUQQCSSA-N 2 1 357.542 3.180 20 0 FGADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411769 504133946 /nfs/dbraw/zinc/13/39/46/504133946.db2.gz QGGNJDPWYPODMW-FGZHOGPDSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411771 504134620 /nfs/dbraw/zinc/13/46/20/504134620.db2.gz QGGNJDPWYPODMW-VXKWHMMOSA-N 2 1 369.553 3.089 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000541535943 504167852 /nfs/dbraw/zinc/16/78/52/504167852.db2.gz YOGYWEQLKHGWHQ-MOUTVQLLSA-N 2 1 364.533 3.480 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000519223962 504169405 /nfs/dbraw/zinc/16/94/05/504169405.db2.gz CMYLUYIUBHJPMV-KRWDZBQOSA-N 2 1 361.530 3.466 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000541543182 504170546 /nfs/dbraw/zinc/17/05/46/504170546.db2.gz XGAHSOCZXNKYRZ-FYYLOGMGSA-N 2 1 373.585 3.332 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000541543182 504170550 /nfs/dbraw/zinc/17/05/50/504170550.db2.gz XGAHSOCZXNKYRZ-FYYLOGMGSA-N 2 1 373.585 3.332 20 0 FGADMP CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccccc3C)CC2)C1 ZINC000519285582 504182874 /nfs/dbraw/zinc/18/28/74/504182874.db2.gz BNWLPQOXRMNPJM-HXUWFJFHSA-N 2 1 357.542 3.151 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C/C=C/c2ccc(F)cc2)CC1 ZINC000531100163 504189163 /nfs/dbraw/zinc/18/91/63/504189163.db2.gz RCVYJZRHCVRBHL-NSCUHMNNSA-N 2 1 354.429 3.015 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000519381312 504207999 /nfs/dbraw/zinc/20/79/99/504207999.db2.gz WXWUDGWFLFVUTG-GUDVDZBRSA-N 2 1 352.567 3.203 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(c3cc[nH+]c(N4CCCCC4)n3)C2)CC1 ZINC000544678637 504213545 /nfs/dbraw/zinc/21/35/45/504213545.db2.gz FRUGPNZACNZXDX-IBGZPJMESA-N 2 1 357.546 3.415 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700668 504224631 /nfs/dbraw/zinc/22/46/31/504224631.db2.gz DAAZRNQNDPAMRD-QUCCMNQESA-N 2 1 365.525 3.211 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000544700668 504224635 /nfs/dbraw/zinc/22/46/35/504224635.db2.gz DAAZRNQNDPAMRD-QUCCMNQESA-N 2 1 365.525 3.211 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000528577860 504279468 /nfs/dbraw/zinc/27/94/68/504279468.db2.gz BSESLJNHBQHGRZ-YPAWHYETSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000528577860 504279473 /nfs/dbraw/zinc/27/94/73/504279473.db2.gz BSESLJNHBQHGRZ-YPAWHYETSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000528577860 504279480 /nfs/dbraw/zinc/27/94/80/504279480.db2.gz BSESLJNHBQHGRZ-YPAWHYETSA-N 2 1 371.569 3.335 20 0 FGADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000531369633 504281867 /nfs/dbraw/zinc/28/18/67/504281867.db2.gz LEOUKTFLFOUECY-HNNXBMFYSA-N 2 1 364.449 3.322 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000534974452 504299168 /nfs/dbraw/zinc/29/91/68/504299168.db2.gz PKKRFWOKGPWNDH-IBGZPJMESA-N 2 1 363.933 3.250 20 0 FGADMP C[C@H]([NH2+]CCCN(C)CC(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155884 504351029 /nfs/dbraw/zinc/35/10/29/504351029.db2.gz ZFEXWIOSMMQCCX-WMZOPIPTSA-N 2 1 357.464 3.371 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000548162332 504353009 /nfs/dbraw/zinc/35/30/09/504353009.db2.gz YTJOLYUNEQPSLK-WMLDXEAASA-N 2 1 364.946 3.436 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000519920160 504384117 /nfs/dbraw/zinc/38/41/17/504384117.db2.gz QGJOQRUDIZBIJL-DYQZNNLLSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000519920160 504384124 /nfs/dbraw/zinc/38/41/24/504384124.db2.gz QGJOQRUDIZBIJL-DYQZNNLLSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000519920160 504384129 /nfs/dbraw/zinc/38/41/29/504384129.db2.gz QGJOQRUDIZBIJL-DYQZNNLLSA-N 2 1 371.569 3.381 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000542156119 504384936 /nfs/dbraw/zinc/38/49/36/504384936.db2.gz XETVOTXMSSWJKG-FQEVSTJZSA-N 2 1 374.525 3.182 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000542156119 504384941 /nfs/dbraw/zinc/38/49/41/504384941.db2.gz XETVOTXMSSWJKG-FQEVSTJZSA-N 2 1 374.525 3.182 20 0 FGADMP COc1cccc(C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000531701755 504397028 /nfs/dbraw/zinc/39/70/28/504397028.db2.gz PTFZOYFCJSZIAD-IFMALSPDSA-N 2 1 354.494 3.025 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000531723894 504405230 /nfs/dbraw/zinc/40/52/30/504405230.db2.gz RDYYEUNVSRQPNF-JTNHKYCSSA-N 2 1 364.843 3.484 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000520318100 504465174 /nfs/dbraw/zinc/46/51/74/504465174.db2.gz ODAKIEGHJIVMEE-DLBZAZTESA-N 2 1 370.884 3.229 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1c1ccccc1Cl ZINC000539079310 504465658 /nfs/dbraw/zinc/46/56/58/504465658.db2.gz FKJXZZPQSUUYAT-INIZCTEOSA-N 2 1 361.917 3.442 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)c2nccs2)CC1)CC(C)C ZINC000539099249 504471943 /nfs/dbraw/zinc/47/19/43/504471943.db2.gz UTVJDZFYDOXQGF-UHFFFAOYSA-N 2 1 366.575 3.186 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)c2nccs2)CC1)CC(C)C ZINC000539099249 504471945 /nfs/dbraw/zinc/47/19/45/504471945.db2.gz UTVJDZFYDOXQGF-UHFFFAOYSA-N 2 1 366.575 3.186 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000531946283 504482992 /nfs/dbraw/zinc/48/29/92/504482992.db2.gz GVNINHUFCHIIOQ-NDXORKPFSA-N 2 1 350.510 3.285 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H](C)C1)C2 ZINC000531946283 504482998 /nfs/dbraw/zinc/48/29/98/504482998.db2.gz GVNINHUFCHIIOQ-NDXORKPFSA-N 2 1 350.510 3.285 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520403306 504490967 /nfs/dbraw/zinc/49/09/67/504490967.db2.gz TVICNOXUAIJBGH-PKOBYXMFSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[NH2+]CC2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520403306 504490972 /nfs/dbraw/zinc/49/09/72/504490972.db2.gz TVICNOXUAIJBGH-PKOBYXMFSA-N 2 1 367.896 3.119 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454715 504496313 /nfs/dbraw/zinc/49/63/13/504496313.db2.gz MWJLLOKPZZFAPZ-YLJYHZDGSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454715 504496314 /nfs/dbraw/zinc/49/63/14/504496314.db2.gz MWJLLOKPZZFAPZ-YLJYHZDGSA-N 2 1 361.505 3.171 20 0 FGADMP CS[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@H]1[NH+](C)C ZINC000539198941 504496307 /nfs/dbraw/zinc/49/63/07/504496307.db2.gz XSPZIQWUAGHJCJ-HZPDHXFCSA-N 2 1 366.328 3.479 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C[C@@H](C)O1 ZINC000542495549 504513360 /nfs/dbraw/zinc/51/33/60/504513360.db2.gz XPIXLCZQFSZRHA-LZJOCLMNSA-N 2 1 372.488 3.184 20 0 FGADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254721 504513885 /nfs/dbraw/zinc/51/38/85/504513885.db2.gz RDFTYSSYFYPQJQ-HKUYNNGSSA-N 2 1 361.530 3.069 20 0 FGADMP CC[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccccc1OCC(=O)N(C)C ZINC000539254721 504513888 /nfs/dbraw/zinc/51/38/88/504513888.db2.gz RDFTYSSYFYPQJQ-HKUYNNGSSA-N 2 1 361.530 3.069 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539316637 504527682 /nfs/dbraw/zinc/52/76/82/504527682.db2.gz CHVBQBQYZUEMLV-GOSISDBHSA-N 2 1 351.922 3.171 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578418 504533570 /nfs/dbraw/zinc/53/35/70/504533570.db2.gz KJLVJHUWOGXTMC-SBHAEUEKSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578418 504533575 /nfs/dbraw/zinc/53/35/75/504533575.db2.gz KJLVJHUWOGXTMC-SBHAEUEKSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578418 504533579 /nfs/dbraw/zinc/53/35/79/504533579.db2.gz KJLVJHUWOGXTMC-SBHAEUEKSA-N 2 1 372.557 3.242 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548719592 504540883 /nfs/dbraw/zinc/54/08/83/504540883.db2.gz QMFWVCCOOPASRM-UHFFFAOYSA-N 2 1 359.514 3.414 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548719592 504540887 /nfs/dbraw/zinc/54/08/87/504540887.db2.gz QMFWVCCOOPASRM-UHFFFAOYSA-N 2 1 359.514 3.414 20 0 FGADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000548740765 504547774 /nfs/dbraw/zinc/54/77/74/504547774.db2.gz YBQSHDNFIWYMHV-JOCHJYFZSA-N 2 1 363.505 3.411 20 0 FGADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000548740765 504547777 /nfs/dbraw/zinc/54/77/77/504547777.db2.gz YBQSHDNFIWYMHV-JOCHJYFZSA-N 2 1 363.505 3.411 20 0 FGADMP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000535811960 504552986 /nfs/dbraw/zinc/55/29/86/504552986.db2.gz JFEARSYFIRSCPA-UHFFFAOYSA-N 2 1 350.503 3.265 20 0 FGADMP COc1ccccc1C[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187393 504565569 /nfs/dbraw/zinc/56/55/69/504565569.db2.gz BUWCQAIJVUKIHI-HKUYNNGSSA-N 2 1 373.566 3.266 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C)c1Cl ZINC000535860148 504565976 /nfs/dbraw/zinc/56/59/76/504565976.db2.gz DDWUYCBGFYJPRI-INIZCTEOSA-N 2 1 351.922 3.137 20 0 FGADMP c1cnc(N2CCC([NH2+]C[C@@H]3CCC[N@H+]3CC3CCCCC3)CC2)cn1 ZINC000532227811 504580647 /nfs/dbraw/zinc/58/06/47/504580647.db2.gz XTAITARBCLFBCI-FQEVSTJZSA-N 2 1 357.546 3.080 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2C)CC1 ZINC000520793175 504584397 /nfs/dbraw/zinc/58/43/97/504584397.db2.gz QXNAGIBGHJOQKW-LJQANCHMSA-N 2 1 359.558 3.444 20 0 FGADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cc2)c1 ZINC000545867057 504619516 /nfs/dbraw/zinc/61/95/16/504619516.db2.gz MMLSBYAPTGJNOU-GCJKJVERSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1cccc(COc2ccc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000545867057 504619518 /nfs/dbraw/zinc/61/95/18/504619518.db2.gz MMLSBYAPTGJNOU-GCJKJVERSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@@]3(O)CC[N@H+](C)C3)cc2)c1 ZINC000545867056 504619530 /nfs/dbraw/zinc/61/95/30/504619530.db2.gz MMLSBYAPTGJNOU-AVRDEDQJSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1cccc(COc2ccc([C@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)cc2)c1 ZINC000545867056 504619532 /nfs/dbraw/zinc/61/95/32/504619532.db2.gz MMLSBYAPTGJNOU-AVRDEDQJSA-N 2 1 354.494 3.291 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289246 504621384 /nfs/dbraw/zinc/62/13/84/504621384.db2.gz NVIWYBSDQLIULX-XLIONFOSSA-N 2 1 370.541 3.145 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289244 504621729 /nfs/dbraw/zinc/62/17/29/504621729.db2.gz NVIWYBSDQLIULX-FXAWDEMLSA-N 2 1 370.541 3.145 20 0 FGADMP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C[C@H]1OC ZINC000542847864 504633233 /nfs/dbraw/zinc/63/32/33/504633233.db2.gz YCUJYJMDDMGNLH-PWRODBHTSA-N 2 1 360.542 3.327 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000542851502 504635293 /nfs/dbraw/zinc/63/52/93/504635293.db2.gz INTXEGDSKUYZGA-WOJBJXKFSA-N 2 1 357.473 3.418 20 0 FGADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000542851502 504635299 /nfs/dbraw/zinc/63/52/99/504635299.db2.gz INTXEGDSKUYZGA-WOJBJXKFSA-N 2 1 357.473 3.418 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000545986412 504666033 /nfs/dbraw/zinc/66/60/33/504666033.db2.gz HSZKVRLNZCIGHL-HXUWFJFHSA-N 2 1 361.505 3.125 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000545986412 504666038 /nfs/dbraw/zinc/66/60/38/504666038.db2.gz HSZKVRLNZCIGHL-HXUWFJFHSA-N 2 1 361.505 3.125 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532517012 504679423 /nfs/dbraw/zinc/67/94/23/504679423.db2.gz JQMQFYQQSFZTEB-XZOQPEGZSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532517012 504679426 /nfs/dbraw/zinc/67/94/26/504679426.db2.gz JQMQFYQQSFZTEB-XZOQPEGZSA-N 2 1 366.505 3.299 20 0 FGADMP CC(C)CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000549146654 504702674 /nfs/dbraw/zinc/70/26/74/504702674.db2.gz WTRBSQMFMDTUTE-OAQYLSRUSA-N 2 1 357.542 3.379 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429774 504736226 /nfs/dbraw/zinc/73/62/26/504736226.db2.gz ACCWMIQGPZSWDR-HXUWFJFHSA-N 2 1 373.585 3.486 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)c2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000521441323 504738790 /nfs/dbraw/zinc/73/87/90/504738790.db2.gz KWMWLSSETAMOID-CALCHBBNSA-N 2 1 367.493 3.268 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)c2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000521441323 504738794 /nfs/dbraw/zinc/73/87/94/504738794.db2.gz KWMWLSSETAMOID-CALCHBBNSA-N 2 1 367.493 3.268 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@H](C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562287212 504773079 /nfs/dbraw/zinc/77/30/79/504773079.db2.gz WODMHFZNUNFGCB-VQIMIIECSA-N 2 1 368.481 3.109 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@H](C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562287212 504773082 /nfs/dbraw/zinc/77/30/82/504773082.db2.gz WODMHFZNUNFGCB-VQIMIIECSA-N 2 1 368.481 3.109 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000556053788 504787735 /nfs/dbraw/zinc/78/77/35/504787735.db2.gz XTZTURCEXPBQLX-YADHBBJMSA-N 2 1 371.569 3.447 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000556053788 504787740 /nfs/dbraw/zinc/78/77/40/504787740.db2.gz XTZTURCEXPBQLX-YADHBBJMSA-N 2 1 371.569 3.447 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H](c2nccn2C)C(F)(F)F)C1 ZINC000552997144 504801507 /nfs/dbraw/zinc/80/15/07/504801507.db2.gz YMYADSBEXQEMSI-CABCVRRESA-N 2 1 374.451 3.084 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000553048473 504813158 /nfs/dbraw/zinc/81/31/58/504813158.db2.gz MWQSWYBASSKLBD-FQEVSTJZSA-N 2 1 355.526 3.419 20 0 FGADMP CC[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000559271992 504816439 /nfs/dbraw/zinc/81/64/39/504816439.db2.gz SSJZSGLTQXIWSW-NRFANRHFSA-N 2 1 353.510 3.275 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cncc4ccccc43)CC2)CC1 ZINC000565192350 504822140 /nfs/dbraw/zinc/82/21/40/504822140.db2.gz TZFKIMSPSCCCLP-UHFFFAOYSA-N 2 1 366.509 3.370 20 0 FGADMP CC1(C)CCc2cc(C[N@H+]3CCC[C@@H](N4CCOCC4)CC3)ccc2O1 ZINC000565229870 504830587 /nfs/dbraw/zinc/83/05/87/504830587.db2.gz ONHMJMLNBNUZOY-HXUWFJFHSA-N 2 1 358.526 3.477 20 0 FGADMP CCN1CC[C@H]([NH2+]CCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549475721 504832711 /nfs/dbraw/zinc/83/27/11/504832711.db2.gz HAKLABDKTIATLA-ZWKOTPCHSA-N 2 1 350.869 3.409 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000559423352 504859243 /nfs/dbraw/zinc/85/92/43/504859243.db2.gz PJVNXGARQSHAOP-HNNXBMFYSA-N 2 1 350.528 3.005 20 0 FGADMP CC(C)[C@]1(CO)CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859330 /nfs/dbraw/zinc/85/93/30/504859330.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 2 1 368.606 3.084 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859331 /nfs/dbraw/zinc/85/93/31/504859331.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 2 1 368.606 3.084 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424515 504859333 /nfs/dbraw/zinc/85/93/33/504859333.db2.gz IXUIAZMPPRXKHY-DKUWSORSSA-N 2 1 368.606 3.084 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000565489413 504902707 /nfs/dbraw/zinc/90/27/07/504902707.db2.gz WBTKJCALXCCPJX-IBGZPJMESA-N 2 1 359.901 3.321 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)s3)C2)nn1 ZINC000562750864 504933539 /nfs/dbraw/zinc/93/35/39/504933539.db2.gz XJVAFEFMKHQJCJ-QGZVFWFLSA-N 2 1 353.495 3.302 20 0 FGADMP C[N@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000549918926 504933771 /nfs/dbraw/zinc/93/37/71/504933771.db2.gz CKBZJGFYEZUOPP-QFIPXVFZSA-N 2 1 356.485 3.326 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000549918926 504933776 /nfs/dbraw/zinc/93/37/76/504933776.db2.gz CKBZJGFYEZUOPP-QFIPXVFZSA-N 2 1 356.485 3.326 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553510653 504935841 /nfs/dbraw/zinc/93/58/41/504935841.db2.gz GOEZDKJTDYYLDT-SLYNCCJLSA-N 2 1 373.516 3.123 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](CC2CC2)C(C)C)CC1 ZINC000549944182 504941765 /nfs/dbraw/zinc/94/17/65/504941765.db2.gz VQPUYTQQWRPFON-UHFFFAOYSA-N 2 1 357.542 3.196 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000565654874 504950191 /nfs/dbraw/zinc/95/01/91/504950191.db2.gz NRAQBNHLTVMXGZ-LSWJPFSZSA-N 2 1 374.569 3.399 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553598620 504959058 /nfs/dbraw/zinc/95/90/58/504959058.db2.gz DJLXCFPXYAQVMF-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@H+]1CCc2ccccc2C1 ZINC000550214160 504993984 /nfs/dbraw/zinc/99/39/84/504993984.db2.gz LLJUTPJXBVWTLU-OAQYLSRUSA-N 2 1 362.477 3.147 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@H]43)CC2)cc1 ZINC000556870581 505000870 /nfs/dbraw/zinc/00/08/70/505000870.db2.gz GRHGWPKYRNRHIM-YTFSRNRJSA-N 2 1 371.569 3.370 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000553777735 505006721 /nfs/dbraw/zinc/00/67/21/505006721.db2.gz HFBDFWOEKSGTIA-WIYYLYMNSA-N 2 1 372.557 3.295 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000553777733 505006728 /nfs/dbraw/zinc/00/67/28/505006728.db2.gz HFBDFWOEKSGTIA-NQIIRXRSSA-N 2 1 372.557 3.295 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000550405617 505036236 /nfs/dbraw/zinc/03/62/36/505036236.db2.gz VXKKVAHHJWDXPR-UHFFFAOYSA-N 2 1 351.853 3.366 20 0 FGADMP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120110 505052876 /nfs/dbraw/zinc/05/28/76/505052876.db2.gz RVGBHRWABMLBSN-MSOLQXFVSA-N 2 1 367.459 3.410 20 0 FGADMP FC(F)(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120110 505052879 /nfs/dbraw/zinc/05/28/79/505052879.db2.gz RVGBHRWABMLBSN-MSOLQXFVSA-N 2 1 367.459 3.410 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621084 505075006 /nfs/dbraw/zinc/07/50/06/505075006.db2.gz BPDIIDCRSVCVPH-UWJYYQICSA-N 2 1 352.478 3.001 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621084 505075012 /nfs/dbraw/zinc/07/50/12/505075012.db2.gz BPDIIDCRSVCVPH-UWJYYQICSA-N 2 1 352.478 3.001 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)n1ccnc1 ZINC000563221943 505080545 /nfs/dbraw/zinc/08/05/45/505080545.db2.gz RAMXHKPKLVUVLS-GFCCVEGCSA-N 2 1 365.275 3.297 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069448 505080639 /nfs/dbraw/zinc/08/06/39/505080639.db2.gz RUZFUOTZCDCHEF-BZSNNMDCSA-N 2 1 374.447 3.396 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069448 505080642 /nfs/dbraw/zinc/08/06/42/505080642.db2.gz RUZFUOTZCDCHEF-BZSNNMDCSA-N 2 1 374.447 3.396 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)nc1 ZINC000566110668 505084500 /nfs/dbraw/zinc/08/45/00/505084500.db2.gz OEXJKXBZTDPBND-QGZVFWFLSA-N 2 1 372.538 3.282 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)nc1 ZINC000566110668 505084507 /nfs/dbraw/zinc/08/45/07/505084507.db2.gz OEXJKXBZTDPBND-QGZVFWFLSA-N 2 1 372.538 3.282 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000566179456 505105280 /nfs/dbraw/zinc/10/52/80/505105280.db2.gz KSLNCQHBZZMCLI-ZVJPXFDHSA-N 2 1 367.537 3.078 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@H]21 ZINC000560544436 505120901 /nfs/dbraw/zinc/12/09/01/505120901.db2.gz QRHPUPZTDHOHCM-OQIJWPOYSA-N 2 1 370.459 3.319 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000560543230 505120944 /nfs/dbraw/zinc/12/09/44/505120944.db2.gz BGQTXQHKKUAKEA-AQNCSGRASA-N 2 1 365.880 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000560543230 505120948 /nfs/dbraw/zinc/12/09/48/505120948.db2.gz BGQTXQHKKUAKEA-AQNCSGRASA-N 2 1 365.880 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H]2CCC[C@H]21 ZINC000560550033 505122517 /nfs/dbraw/zinc/12/25/17/505122517.db2.gz TURMXKKRSDDBFH-HRCADAONSA-N 2 1 357.420 3.332 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000551004873 505141620 /nfs/dbraw/zinc/14/16/20/505141620.db2.gz ACTPQYNSEQPHCS-NJAFHUGGSA-N 2 1 355.448 3.296 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1c1ccccc1 ZINC000551004873 505141626 /nfs/dbraw/zinc/14/16/26/505141626.db2.gz ACTPQYNSEQPHCS-NJAFHUGGSA-N 2 1 355.448 3.296 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000566398465 505164191 /nfs/dbraw/zinc/16/41/91/505164191.db2.gz ZKHDNOWHWMKTDD-SJORKVTESA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C[NH+](C)C ZINC000560707769 505166243 /nfs/dbraw/zinc/16/62/43/505166243.db2.gz WEWRBIDXGBAJSV-LJQANCHMSA-N 2 1 353.510 3.003 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176497 505171457 /nfs/dbraw/zinc/17/14/57/505171457.db2.gz YSPGMAPCDVWIFE-VQTJNVASSA-N 2 1 353.514 3.112 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176497 505171462 /nfs/dbraw/zinc/17/14/62/505171462.db2.gz YSPGMAPCDVWIFE-VQTJNVASSA-N 2 1 353.514 3.112 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]CCC[NH+]2CCC2)c1 ZINC000563549070 505173845 /nfs/dbraw/zinc/17/38/45/505173845.db2.gz NDAJMEVLVCZLSW-UHFFFAOYSA-N 2 1 356.514 3.499 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000551272010 505190040 /nfs/dbraw/zinc/19/00/40/505190040.db2.gz UTQBTDPYXWNXMJ-GOSISDBHSA-N 2 1 370.541 3.051 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000554622076 505225544 /nfs/dbraw/zinc/22/55/44/505225544.db2.gz MGMBBUPFTKVYHJ-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@@H](C)OC3(CCC3)C2)CC2(CCC2)O1 ZINC000566676524 505241409 /nfs/dbraw/zinc/24/14/09/505241409.db2.gz RCUWVGWUYDSETP-RTBURBONSA-N 2 1 350.547 3.444 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CCc3ccccc3)CC2)CC1 ZINC000561067568 505243269 /nfs/dbraw/zinc/24/32/69/505243269.db2.gz KZXBWWMTLGABJW-IBGZPJMESA-N 2 1 371.569 3.320 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563887203 505267109 /nfs/dbraw/zinc/26/71/09/505267109.db2.gz FCSISGWGQAWXSF-QFIPXVFZSA-N 2 1 352.526 3.432 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563887203 505267113 /nfs/dbraw/zinc/26/71/13/505267113.db2.gz FCSISGWGQAWXSF-QFIPXVFZSA-N 2 1 352.526 3.432 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000563896819 505269475 /nfs/dbraw/zinc/26/94/75/505269475.db2.gz IAOTWBOWBZYWCE-OAQYLSRUSA-N 2 1 357.542 3.318 20 0 FGADMP C[N@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000551650170 505274628 /nfs/dbraw/zinc/27/46/28/505274628.db2.gz JABHHNQFTOTOER-LJQANCHMSA-N 2 1 363.933 3.325 20 0 FGADMP C[N@@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000551650170 505274632 /nfs/dbraw/zinc/27/46/32/505274632.db2.gz JABHHNQFTOTOER-LJQANCHMSA-N 2 1 363.933 3.325 20 0 FGADMP CCC[NH+]1CCC(N(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699021 505285071 /nfs/dbraw/zinc/28/50/71/505285071.db2.gz JJZZANMMRZTRRH-QFIPXVFZSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000564005198 505299819 /nfs/dbraw/zinc/29/98/19/505299819.db2.gz FVJSPZITPONWGX-NRFANRHFSA-N 2 1 372.557 3.159 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000564005198 505299823 /nfs/dbraw/zinc/29/98/23/505299823.db2.gz FVJSPZITPONWGX-NRFANRHFSA-N 2 1 372.557 3.159 20 0 FGADMP C[C@@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282981 505304354 /nfs/dbraw/zinc/30/43/54/505304354.db2.gz LFDPLERPCYMFDW-REWPJTCUSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959505 505311815 /nfs/dbraw/zinc/31/18/15/505311815.db2.gz GHEBRYZWPJGGKY-NHCUHLMSSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959505 505311818 /nfs/dbraw/zinc/31/18/18/505311818.db2.gz GHEBRYZWPJGGKY-NHCUHLMSSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)Nc1ccccc1 ZINC000554959505 505311822 /nfs/dbraw/zinc/31/18/22/505311822.db2.gz GHEBRYZWPJGGKY-NHCUHLMSSA-N 2 1 363.505 3.469 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@H](C)O1 ZINC000564129578 505332697 /nfs/dbraw/zinc/33/26/97/505332697.db2.gz LKJJXVUEFOZMJG-ROUUACIJSA-N 2 1 371.525 3.258 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(CC(C)C)s1 ZINC000561395221 505335124 /nfs/dbraw/zinc/33/51/24/505335124.db2.gz JXOFVYDJQADPJZ-QGZVFWFLSA-N 2 1 352.592 3.190 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(-n2ccnn2)c1 ZINC000558261240 505346777 /nfs/dbraw/zinc/34/67/77/505346777.db2.gz ZXKDLZBJKFIGDY-QUCCMNQESA-N 2 1 361.493 3.440 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000551988394 505363790 /nfs/dbraw/zinc/36/37/90/505363790.db2.gz TZDGPJYFQYIYCH-KBAYOESNSA-N 2 1 368.481 3.152 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000564319316 505382647 /nfs/dbraw/zinc/38/26/47/505382647.db2.gz HTZFSPLVOSSPPK-KRWDZBQOSA-N 2 1 355.473 3.136 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(F)cc2cccnc21 ZINC000564319636 505383007 /nfs/dbraw/zinc/38/30/07/505383007.db2.gz LNALLPCHBDNRPX-HXUWFJFHSA-N 2 1 358.505 3.222 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000552065578 505388146 /nfs/dbraw/zinc/38/81/46/505388146.db2.gz FXGXCSFLLRWHOF-CBPXPLCBSA-N 2 1 364.537 3.478 20 0 FGADMP C[C@@H](C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000564382847 505401853 /nfs/dbraw/zinc/40/18/53/505401853.db2.gz YYEHJCJKUBTTQY-YUXAGFNASA-N 2 1 369.553 3.025 20 0 FGADMP CCc1[nH+]c2ccccc2c(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1C ZINC000558493633 505407634 /nfs/dbraw/zinc/40/76/34/505407634.db2.gz RPGYSBCIRLFRGV-GOSISDBHSA-N 2 1 352.526 3.322 20 0 FGADMP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552245002 505439992 /nfs/dbraw/zinc/43/99/92/505439992.db2.gz QBDLODSKGPQEED-CBPXPLCBSA-N 2 1 360.542 3.054 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000552246474 505440057 /nfs/dbraw/zinc/44/00/57/505440057.db2.gz VUYZBPFPAFUTOU-ACRUOGEOSA-N 2 1 355.526 3.001 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cnn(C2CCCC2)c1 ZINC000558621108 505442230 /nfs/dbraw/zinc/44/22/30/505442230.db2.gz IPFFJVQUSLMRME-ZLGUVYLKSA-N 2 1 360.546 3.417 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000567371256 505444479 /nfs/dbraw/zinc/44/44/79/505444479.db2.gz QAWMAVUKFYOIFK-KRWDZBQOSA-N 2 1 362.905 3.469 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000561849671 505450146 /nfs/dbraw/zinc/45/01/46/505450146.db2.gz GYADIVGUKWCEOU-PGRDOPGGSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2(CO)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000561849671 505450153 /nfs/dbraw/zinc/45/01/53/505450153.db2.gz GYADIVGUKWCEOU-PGRDOPGGSA-N 2 1 350.506 3.159 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccncc3)C3(C2)CCOCC3)cc1 ZINC000555612492 505474825 /nfs/dbraw/zinc/47/48/25/505474825.db2.gz OWKDPRNEUABSOB-OAQYLSRUSA-N 2 1 351.494 3.100 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)cc2)C1 ZINC000561947907 505474975 /nfs/dbraw/zinc/47/49/75/505474975.db2.gz JEDMPOKGIRICAA-CIQXWFTPSA-N 2 1 369.553 3.455 20 0 FGADMP CN(CC[N@H+](C)Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000561976394 505483365 /nfs/dbraw/zinc/48/33/65/505483365.db2.gz CGMUPCFHTHXKST-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000561976394 505483368 /nfs/dbraw/zinc/48/33/68/505483368.db2.gz CGMUPCFHTHXKST-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2cc(C)ccc2n1 ZINC000555683997 505491548 /nfs/dbraw/zinc/49/15/48/505491548.db2.gz OEQXJFYBUDZOCD-LJQANCHMSA-N 2 1 368.525 3.031 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000562034202 505497437 /nfs/dbraw/zinc/49/74/37/505497437.db2.gz RIOFWWMDFKFYGF-VQTJNVASSA-N 2 1 369.509 3.443 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@H]21 ZINC000564728492 505504473 /nfs/dbraw/zinc/50/44/73/505504473.db2.gz BLPIOGNIOLNHQZ-BPLDGKMQSA-N 2 1 366.387 3.315 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@H]21 ZINC000564728492 505504477 /nfs/dbraw/zinc/50/44/77/505504477.db2.gz BLPIOGNIOLNHQZ-BPLDGKMQSA-N 2 1 366.387 3.315 20 0 FGADMP Cc1ccc([C@H](OC[C@@H](O)C[NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000564844780 505537066 /nfs/dbraw/zinc/53/70/66/505537066.db2.gz PFYFKGCXZXTOBQ-XZOQPEGZSA-N 2 1 368.521 3.146 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000564924573 505559651 /nfs/dbraw/zinc/55/96/51/505559651.db2.gz MCGJFZNYVNIELC-IERDGZPVSA-N 2 1 367.493 3.354 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567817472 505565765 /nfs/dbraw/zinc/56/57/65/505565765.db2.gz SKCSHRKZTFGFRS-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000582753554 506398050 /nfs/dbraw/zinc/39/80/50/506398050.db2.gz IRIHMESBOVJRQO-IFMALSPDSA-N 2 1 372.484 3.163 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000582753554 506398058 /nfs/dbraw/zinc/39/80/58/506398058.db2.gz IRIHMESBOVJRQO-IFMALSPDSA-N 2 1 372.484 3.163 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000599291598 506399464 /nfs/dbraw/zinc/39/94/64/506399464.db2.gz GDFPURZFGDEOPI-MSOLQXFVSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000599314022 506409100 /nfs/dbraw/zinc/40/91/00/506409100.db2.gz IGFKMZVTYFVPMP-UEXGIBASSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000599314022 506409107 /nfs/dbraw/zinc/40/91/07/506409107.db2.gz IGFKMZVTYFVPMP-UEXGIBASSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599314022 506409112 /nfs/dbraw/zinc/40/91/12/506409112.db2.gz IGFKMZVTYFVPMP-UEXGIBASSA-N 2 1 357.542 3.265 20 0 FGADMP CCC[N@@H+](CCCCC(=O)OC)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000599327041 506413044 /nfs/dbraw/zinc/41/30/44/506413044.db2.gz FQPBUXGZFWZVDY-UHFFFAOYSA-N 2 1 362.518 3.118 20 0 FGADMP CCC[N@H+](CCCCC(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000599327041 506413048 /nfs/dbraw/zinc/41/30/48/506413048.db2.gz FQPBUXGZFWZVDY-UHFFFAOYSA-N 2 1 362.518 3.118 20 0 FGADMP CCC[N@@H+](CCCCC(=O)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000599327041 506413054 /nfs/dbraw/zinc/41/30/54/506413054.db2.gz FQPBUXGZFWZVDY-UHFFFAOYSA-N 2 1 362.518 3.118 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000589123050 506448503 /nfs/dbraw/zinc/44/85/03/506448503.db2.gz BQPBAJITISUOJH-NRFANRHFSA-N 2 1 357.542 3.409 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(c2cc(N3CCCCC3)ncn2)CC1 ZINC000599496005 506472475 /nfs/dbraw/zinc/47/24/75/506472475.db2.gz PNNCOIVBDCPWGD-UHFFFAOYSA-N 2 1 365.525 3.488 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000596650252 506510055 /nfs/dbraw/zinc/51/00/55/506510055.db2.gz NAHWLNHUEOGEER-DSFJHFMVSA-N 2 1 362.489 3.229 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000589506000 506572041 /nfs/dbraw/zinc/57/20/41/506572041.db2.gz LEUUYEHVPBPHRF-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589506000 506572049 /nfs/dbraw/zinc/57/20/49/506572049.db2.gz LEUUYEHVPBPHRF-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589506000 506572054 /nfs/dbraw/zinc/57/20/54/506572054.db2.gz LEUUYEHVPBPHRF-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469945 506590346 /nfs/dbraw/zinc/59/03/46/506590346.db2.gz JDCTXTKDFCUUQL-SJLPKXTDSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469945 506590349 /nfs/dbraw/zinc/59/03/49/506590349.db2.gz JDCTXTKDFCUUQL-SJLPKXTDSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469945 506590354 /nfs/dbraw/zinc/59/03/54/506590354.db2.gz JDCTXTKDFCUUQL-SJLPKXTDSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3[nH]nc4ccccc43)c2)CCO1 ZINC000589644588 506617021 /nfs/dbraw/zinc/61/70/21/506617021.db2.gz UPZJJHSALJYJIC-MRXNPFEDSA-N 2 1 350.466 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3[nH]nc4ccccc43)c2)CCO1 ZINC000589644588 506617024 /nfs/dbraw/zinc/61/70/24/506617024.db2.gz UPZJJHSALJYJIC-MRXNPFEDSA-N 2 1 350.466 3.073 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000608656141 506651590 /nfs/dbraw/zinc/65/15/90/506651590.db2.gz LDLOTPAVIKWRCN-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CCc1ccc([C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cc1 ZINC000589947521 506685576 /nfs/dbraw/zinc/68/55/76/506685576.db2.gz KMJHRDQACDBTIE-GHTZIAJQSA-N 2 1 359.558 3.227 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720932 506706914 /nfs/dbraw/zinc/70/69/14/506706914.db2.gz ZKUDBDFMQYQMBW-IRLDBZIGSA-N 2 1 371.569 3.350 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000604112932 506718437 /nfs/dbraw/zinc/71/84/37/506718437.db2.gz KEYTVJZGQXBLTN-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193724 506745340 /nfs/dbraw/zinc/74/53/40/506745340.db2.gz LMNHAWXGGIWUJF-NRFANRHFSA-N 2 1 372.557 3.387 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1)C1CCCC1 ZINC000604193725 506745743 /nfs/dbraw/zinc/74/57/43/506745743.db2.gz LMNHAWXGGIWUJF-OAQYLSRUSA-N 2 1 372.557 3.387 20 0 FGADMP COC[C@H]1CCCC[N@H+]1Cc1cncc(C[NH+]2CCCC[C@H]2COC)c1 ZINC000583422669 506770624 /nfs/dbraw/zinc/77/06/24/506770624.db2.gz WWZOYJWRDPVTPP-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP COC[C@H]1CCCC[NH+]1Cc1cncc(C[N@@H+]2CCCC[C@H]2COC)c1 ZINC000583422669 506770625 /nfs/dbraw/zinc/77/06/25/506770625.db2.gz WWZOYJWRDPVTPP-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP COC[C@H]1CCCC[NH+]1Cc1cncc(C[N@H+]2CCCC[C@H]2COC)c1 ZINC000583422669 506770628 /nfs/dbraw/zinc/77/06/28/506770628.db2.gz WWZOYJWRDPVTPP-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000597238400 506852861 /nfs/dbraw/zinc/85/28/61/506852861.db2.gz IHVZQSGNSSFMNE-IFMALSPDSA-N 2 1 358.526 3.405 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000583629476 506886018 /nfs/dbraw/zinc/88/60/18/506886018.db2.gz JUODEAOGRGUXGL-MLGOLLRUSA-N 2 1 368.319 3.357 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786496 506955641 /nfs/dbraw/zinc/95/56/41/506955641.db2.gz CNIRQQURZQGCMG-GOSISDBHSA-N 2 1 354.922 3.132 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096779 507113119 /nfs/dbraw/zinc/11/31/19/507113119.db2.gz AQQINWWLHBWVNE-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096779 507113128 /nfs/dbraw/zinc/11/31/28/507113128.db2.gz AQQINWWLHBWVNE-RTBURBONSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097762 507113869 /nfs/dbraw/zinc/11/38/69/507113869.db2.gz FIAFBIYZLJEKHK-UXHICEINSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+](CC)CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591096088 507114175 /nfs/dbraw/zinc/11/41/75/507114175.db2.gz PDNAOEKNLIYFRR-SFHVURJKSA-N 2 1 361.530 3.011 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)cc1 ZINC000605340002 507152945 /nfs/dbraw/zinc/15/29/45/507152945.db2.gz FQTFNEATDPYNQY-IBGZPJMESA-N 2 1 374.529 3.013 20 0 FGADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000594494509 507153847 /nfs/dbraw/zinc/15/38/47/507153847.db2.gz GXGURQOKACPTML-HXUWFJFHSA-N 2 1 372.509 3.085 20 0 FGADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1([NH+]3CCCC3)CCOCC1)CCC2 ZINC000594494502 507154285 /nfs/dbraw/zinc/15/42/85/507154285.db2.gz GXGURQOKACPTML-FQEVSTJZSA-N 2 1 372.509 3.085 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000600871823 507155915 /nfs/dbraw/zinc/15/59/15/507155915.db2.gz GXNCFAIGYRTSJZ-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000600871823 507155923 /nfs/dbraw/zinc/15/59/23/507155923.db2.gz GXNCFAIGYRTSJZ-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000600871823 507155927 /nfs/dbraw/zinc/15/59/27/507155927.db2.gz GXNCFAIGYRTSJZ-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605559557 507241909 /nfs/dbraw/zinc/24/19/09/507241909.db2.gz KPLBCFIBXULDJK-LJQANCHMSA-N 2 1 359.514 3.283 20 0 FGADMP CC[N@@H+](CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@H]1C)C1CC1 ZINC000591452516 507256049 /nfs/dbraw/zinc/25/60/49/507256049.db2.gz AJCUBNDPEXRPPP-GOSISDBHSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+](CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1C)C1CC1 ZINC000591452516 507256058 /nfs/dbraw/zinc/25/60/58/507256058.db2.gz AJCUBNDPEXRPPP-GOSISDBHSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+](CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)C1CC1 ZINC000591452516 507256063 /nfs/dbraw/zinc/25/60/63/507256063.db2.gz AJCUBNDPEXRPPP-GOSISDBHSA-N 2 1 373.541 3.154 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000591618239 507315103 /nfs/dbraw/zinc/31/51/03/507315103.db2.gz LQCBJIRKGDZKRC-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000591618239 507315112 /nfs/dbraw/zinc/31/51/12/507315112.db2.gz LQCBJIRKGDZKRC-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)C1 ZINC000591618239 507315122 /nfs/dbraw/zinc/31/51/22/507315122.db2.gz LQCBJIRKGDZKRC-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000591656131 507324329 /nfs/dbraw/zinc/32/43/29/507324329.db2.gz KTELFVMBLCATCA-YWHRJQNKSA-N 2 1 356.510 3.218 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613995217 507329369 /nfs/dbraw/zinc/32/93/69/507329369.db2.gz HGCUVFZVUWSBCT-OALUTQOASA-N 2 1 374.488 3.199 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC/C=C\c1ccccc1 ZINC000606360890 507374756 /nfs/dbraw/zinc/37/47/56/507374756.db2.gz YLSNMCIZYFPDNO-LUTRRODMSA-N 2 1 357.542 3.355 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CC3CC3)C2)CC1 ZINC000584543250 507402992 /nfs/dbraw/zinc/40/29/92/507402992.db2.gz BTHJPLIPDXFAHH-FQEVSTJZSA-N 2 1 369.553 3.198 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2c2ccc(C)cc2)CC1 ZINC000606540854 507440074 /nfs/dbraw/zinc/44/00/74/507440074.db2.gz NYWBUAAXUDWXQZ-XMSQKQJNSA-N 2 1 357.542 3.369 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670687 507441582 /nfs/dbraw/zinc/44/15/82/507441582.db2.gz LSZDVFLECWJYKW-NPDDRXJXSA-N 2 1 367.537 3.030 20 0 FGADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606937379 507561790 /nfs/dbraw/zinc/56/17/90/507561790.db2.gz YCOVNYINMFVDAG-HUUCEWRRSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606937379 507561794 /nfs/dbraw/zinc/56/17/94/507561794.db2.gz YCOVNYINMFVDAG-HUUCEWRRSA-N 2 1 373.324 3.151 20 0 FGADMP CC[C@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000602127395 507601446 /nfs/dbraw/zinc/60/14/46/507601446.db2.gz NBAKWDGGDUOPJC-RTWAWAEBSA-N 2 1 359.558 3.130 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000607333231 507692600 /nfs/dbraw/zinc/69/26/00/507692600.db2.gz FMAWWKHURJZPER-GOSISDBHSA-N 2 1 351.922 3.274 20 0 FGADMP COC(=O)c1cnc([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)s1 ZINC000595915934 507743314 /nfs/dbraw/zinc/74/33/14/507743314.db2.gz CTYDEKQVQODFJJ-HNNXBMFYSA-N 2 1 362.499 3.094 20 0 FGADMP COC(=O)c1cnc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)s1 ZINC000595915934 507743316 /nfs/dbraw/zinc/74/33/16/507743316.db2.gz CTYDEKQVQODFJJ-HNNXBMFYSA-N 2 1 362.499 3.094 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000530645027 517897186 /nfs/dbraw/zinc/89/71/86/517897186.db2.gz UYRVZMZVSQOCSG-HXUWFJFHSA-N 2 1 366.509 3.220 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000530645027 517897197 /nfs/dbraw/zinc/89/71/97/517897197.db2.gz UYRVZMZVSQOCSG-HXUWFJFHSA-N 2 1 366.509 3.220 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870885 568396195 /nfs/dbraw/zinc/39/61/95/568396195.db2.gz OUGSNHQYRHYREB-BXXSPATCSA-N 2 1 371.569 3.178 20 0 FGADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870885 568396196 /nfs/dbraw/zinc/39/61/96/568396196.db2.gz OUGSNHQYRHYREB-BXXSPATCSA-N 2 1 371.569 3.178 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)Nc1c(-c2nn[nH]n2)c[nH+]c2c(C)cccc12 ZINC000821188553 607303035 /nfs/dbraw/zinc/30/30/35/607303035.db2.gz ADVWYZMZXBUTMG-OAHLLOKOSA-N 2 1 367.501 3.068 20 0 FGADMP CCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825313451 608447850 /nfs/dbraw/zinc/44/78/50/608447850.db2.gz GAGLOWODPUHVAH-UHFFFAOYSA-N 2 1 353.474 3.064 20 0 FGADMP CCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825313451 608447851 /nfs/dbraw/zinc/44/78/51/608447851.db2.gz GAGLOWODPUHVAH-UHFFFAOYSA-N 2 1 353.474 3.064 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096246 700329483 /nfs/dbraw/zinc/32/94/83/700329483.db2.gz GXMYITSHQBCNFQ-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096246 700329487 /nfs/dbraw/zinc/32/94/87/700329487.db2.gz GXMYITSHQBCNFQ-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000081096246 700329490 /nfs/dbraw/zinc/32/94/90/700329490.db2.gz GXMYITSHQBCNFQ-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000093258949 700449562 /nfs/dbraw/zinc/44/95/62/700449562.db2.gz XGQXBYGRIFGFGI-HOTGVXAUSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000093258949 700449565 /nfs/dbraw/zinc/44/95/65/700449565.db2.gz XGQXBYGRIFGFGI-HOTGVXAUSA-N 2 1 350.507 3.301 20 0 FGADMP C[N@H+](CCCc1ccc(C(F)(F)F)cc1)CCCN1CC[NH+](C)CC1 ZINC000129801620 700792151 /nfs/dbraw/zinc/79/21/51/700792151.db2.gz MYHCPSVKSWLRNU-UHFFFAOYSA-N 2 1 357.464 3.207 20 0 FGADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161925008 705286201 /nfs/dbraw/zinc/28/62/01/705286201.db2.gz ASUILRBKHAHTAH-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)C1 ZINC000245885014 713613138 /nfs/dbraw/zinc/61/31/38/713613138.db2.gz OKBWXXQWXXOKFG-KZNAEPCWSA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000246260077 713621056 /nfs/dbraw/zinc/62/10/56/713621056.db2.gz YDWGEHNFNRNJTN-ROUUACIJSA-N 2 1 351.535 3.051 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000247169188 713636301 /nfs/dbraw/zinc/63/63/01/713636301.db2.gz QYBKHXODXIABOV-SOLBZPMBSA-N 2 1 351.535 3.144 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000301193091 713781829 /nfs/dbraw/zinc/78/18/29/713781829.db2.gz SNXIUBKCEHKKCM-CSNJMZFVSA-N 2 1 351.535 3.237 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378880083 713974948 /nfs/dbraw/zinc/97/49/48/713974948.db2.gz FNDONFDFYIPEKH-MHORFTMASA-N 2 1 351.535 3.286 20 0 FGADMP C[C@@H]1CC[C@](CO)([NH+](C)CCCCC[N@H+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000495250169 714106107 /nfs/dbraw/zinc/10/61/07/714106107.db2.gz PUZQDXUTXBVJRD-UJOPUZHASA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@](CO)([N@@H+](C)CCCCC[NH+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000495250169 714106109 /nfs/dbraw/zinc/10/61/09/714106109.db2.gz PUZQDXUTXBVJRD-UJOPUZHASA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1CC[C@](CO)([N@H+](C)CCCCC[NH+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000495250169 714106110 /nfs/dbraw/zinc/10/61/10/714106110.db2.gz PUZQDXUTXBVJRD-UJOPUZHASA-N 2 1 354.579 3.123 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000522208189 714176497 /nfs/dbraw/zinc/17/64/97/714176497.db2.gz IMPYANARSKQTPW-LJQANCHMSA-N 2 1 363.933 3.295 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000522603216 714195043 /nfs/dbraw/zinc/19/50/43/714195043.db2.gz PCAXNGVGJIGIRS-IAGOWNOFSA-N 2 1 354.583 3.163 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000523669716 714246482 /nfs/dbraw/zinc/24/64/82/714246482.db2.gz IKLFEMYTCDIGFW-ZDUSSCGKSA-N 2 1 357.420 3.306 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2sccc2s1 ZINC000523750372 714251100 /nfs/dbraw/zinc/25/11/00/714251100.db2.gz LTMHQILIQMEENE-CQSZACIVSA-N 2 1 365.568 3.451 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000617505250 714663134 /nfs/dbraw/zinc/66/31/34/714663134.db2.gz YZYLIWZVIPDATD-HNNXBMFYSA-N 2 1 353.938 3.006 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1 ZINC000617505250 714663138 /nfs/dbraw/zinc/66/31/38/714663138.db2.gz YZYLIWZVIPDATD-HNNXBMFYSA-N 2 1 353.938 3.006 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547098 714756166 /nfs/dbraw/zinc/75/61/66/714756166.db2.gz BNYFWZLJYLZQAA-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP Clc1cncc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000621776929 715025805 /nfs/dbraw/zinc/02/58/05/715025805.db2.gz ZTQDENIOJLEMPO-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1cncc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)c1 ZINC000621776929 715025813 /nfs/dbraw/zinc/02/58/13/715025813.db2.gz ZTQDENIOJLEMPO-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000623086031 715162402 /nfs/dbraw/zinc/16/24/02/715162402.db2.gz TVFFWXLDNWOATG-UHFFFAOYSA-N 2 1 360.202 3.116 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347618 715315859 /nfs/dbraw/zinc/31/58/59/715315859.db2.gz GAWPEOLFFCIQBC-VQIMIIECSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624119909 715476566 /nfs/dbraw/zinc/47/65/66/715476566.db2.gz MDPCWBKNHQTFMF-YSTOQKLRSA-N 2 1 363.933 3.008 20 0 FGADMP COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000629525250 716303601 /nfs/dbraw/zinc/30/36/01/716303601.db2.gz ZFEHBSYXZUTSIH-OWCLPIDISA-N 2 1 368.319 3.253 20 0 FGADMP O[C@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629566823 716310110 /nfs/dbraw/zinc/31/01/10/716310110.db2.gz IMSILDOGUUIDTP-GFCCVEGCSA-N 2 1 367.704 3.072 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000629581598 716311820 /nfs/dbraw/zinc/31/18/20/716311820.db2.gz BZHKGVVKFDYAID-NSISKUIASA-N 2 1 360.885 3.199 20 0 FGADMP Fc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826458 716686540 /nfs/dbraw/zinc/68/65/40/716686540.db2.gz NYOMSHCKWNPACD-CHWSQXEVSA-N 2 1 356.283 3.195 20 0 FGADMP Fc1cc(Br)cnc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826458 716686544 /nfs/dbraw/zinc/68/65/44/716686544.db2.gz NYOMSHCKWNPACD-CHWSQXEVSA-N 2 1 356.283 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)CC[N@H+]1C ZINC000632937720 716845930 /nfs/dbraw/zinc/84/59/30/716845930.db2.gz JZKHTKHHUHGGGI-YTQUADARSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC[NH+]1C ZINC000632937720 716845936 /nfs/dbraw/zinc/84/59/36/716845936.db2.gz JZKHTKHHUHGGGI-YTQUADARSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC[NH+]1C ZINC000632937720 716845942 /nfs/dbraw/zinc/84/59/42/716845942.db2.gz JZKHTKHHUHGGGI-YTQUADARSA-N 2 1 363.571 3.067 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ncc(Br)cc1F ZINC000635009635 717139535 /nfs/dbraw/zinc/13/95/35/717139535.db2.gz JQTKPENKUNSHDV-LLVKDONJSA-N 2 1 364.262 3.480 20 0 FGADMP C[N@H+]1CC[C@H](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000635533508 717176491 /nfs/dbraw/zinc/17/64/91/717176491.db2.gz RZEHGWKVBQRLDO-QGZVFWFLSA-N 2 1 363.933 3.010 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000638360539 717439395 /nfs/dbraw/zinc/43/93/95/717439395.db2.gz UEZLIXQVFSQEDU-MOPGFXCFSA-N 2 1 351.579 3.120 20 0 FGADMP O=c1c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447989 717448385 /nfs/dbraw/zinc/44/83/85/717448385.db2.gz QBVYOIIPGNDIOL-CQSZACIVSA-N 2 1 367.465 3.307 20 0 FGADMP O=c1c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447989 717448388 /nfs/dbraw/zinc/44/83/88/717448388.db2.gz QBVYOIIPGNDIOL-CQSZACIVSA-N 2 1 367.465 3.307 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210943 717532240 /nfs/dbraw/zinc/53/22/40/717532240.db2.gz PQEDONOQAMLYFQ-YZGWKJHDSA-N 2 1 360.567 3.399 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167102 717869626 /nfs/dbraw/zinc/86/96/26/717869626.db2.gz BMMXZLPLTJHWJI-KBXCAEBGSA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167102 717869630 /nfs/dbraw/zinc/86/96/30/717869630.db2.gz BMMXZLPLTJHWJI-KBXCAEBGSA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167102 717869633 /nfs/dbraw/zinc/86/96/33/717869633.db2.gz BMMXZLPLTJHWJI-KBXCAEBGSA-N 2 1 365.884 3.382 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000644558400 718124034 /nfs/dbraw/zinc/12/40/34/718124034.db2.gz POJGVIPOPCOLIA-IBGZPJMESA-N 2 1 356.535 3.394 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(Sc2ccccc2)CC1 ZINC000644558400 718124039 /nfs/dbraw/zinc/12/40/39/718124039.db2.gz POJGVIPOPCOLIA-IBGZPJMESA-N 2 1 356.535 3.394 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000646497091 718289232 /nfs/dbraw/zinc/28/92/32/718289232.db2.gz NEZAGLHMTXKLJQ-QGZVFWFLSA-N 2 1 370.324 3.216 20 0 FGADMP Oc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544565 718366823 /nfs/dbraw/zinc/36/68/23/718366823.db2.gz YCILSTTUMYXVGT-KBPBESRZSA-N 2 1 353.304 3.366 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975740 718390949 /nfs/dbraw/zinc/39/09/49/718390949.db2.gz FJZLWSAHZILMGX-ZIAGYGMSSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(Cl)ccc21 ZINC000647975740 718390952 /nfs/dbraw/zinc/39/09/52/718390952.db2.gz FJZLWSAHZILMGX-ZIAGYGMSSA-N 2 1 360.889 3.200 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(Br)c3)C2)C1 ZINC000650706201 718716749 /nfs/dbraw/zinc/71/67/49/718716749.db2.gz GIQFWVDDIIZFOO-BFHYXJOUSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706375 718716968 /nfs/dbraw/zinc/71/69/68/718716968.db2.gz JMHHCIPJOLMINJ-YRGRVCCFSA-N 2 1 359.333 3.229 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708118 718717778 /nfs/dbraw/zinc/71/77/78/718717778.db2.gz TYGVBLVOWZSIQB-BQFCYCMXSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722185 718720067 /nfs/dbraw/zinc/72/00/67/718720067.db2.gz MWQOYDBJUKNPNA-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722185 718720070 /nfs/dbraw/zinc/72/00/70/718720070.db2.gz MWQOYDBJUKNPNA-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723541 718720589 /nfs/dbraw/zinc/72/05/89/718720589.db2.gz PUUMGSRRVQWOQF-LESCRADOSA-N 2 1 362.905 3.088 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1SC ZINC000650723674 718721159 /nfs/dbraw/zinc/72/11/59/718721159.db2.gz RPFFIEOXYNZTKP-BRWVUGGUSA-N 2 1 350.528 3.278 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Cl)cc3c2OCC3)C1 ZINC000650723727 718721279 /nfs/dbraw/zinc/72/12/79/718721279.db2.gz SJEHPAMWESFKBN-KZNAEPCWSA-N 2 1 350.890 3.136 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)C1 ZINC000652348157 718934909 /nfs/dbraw/zinc/93/49/09/718934909.db2.gz WCZIDYVORULGJF-SUMDDJOVSA-N 2 1 352.906 3.327 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350380 718935300 /nfs/dbraw/zinc/93/53/00/718935300.db2.gz WHHYDQMLEGPQNF-PMUMKWKESA-N 2 1 356.869 3.076 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362550 718936855 /nfs/dbraw/zinc/93/68/55/718936855.db2.gz JOGASRKTJDCWPR-ATZDWAIDSA-N 2 1 350.528 3.148 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164638415 719257176 /nfs/dbraw/zinc/25/71/76/719257176.db2.gz YOXAKASSDXYQFA-CHWSQXEVSA-N 2 1 370.875 3.185 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164638415 719257181 /nfs/dbraw/zinc/25/71/81/719257181.db2.gz YOXAKASSDXYQFA-CHWSQXEVSA-N 2 1 370.875 3.185 20 0 FGADMP Clc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)C2)cc1 ZINC000655700347 719327169 /nfs/dbraw/zinc/32/71/69/719327169.db2.gz KQFGBZRUUYZLGD-UZLBHIALSA-N 2 1 363.933 3.009 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655711818 719328493 /nfs/dbraw/zinc/32/84/93/719328493.db2.gz NFASYTMRWUHJMC-ICSRJNTNSA-N 2 1 351.579 3.120 20 0 FGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)c(F)c1 ZINC000655738518 719332542 /nfs/dbraw/zinc/33/25/42/719332542.db2.gz WHMZXBHEMQRHCX-KRWDZBQOSA-N 2 1 350.453 3.229 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000657356333 719632212 /nfs/dbraw/zinc/63/22/12/719632212.db2.gz KRULCIGXTSNWMO-LJQANCHMSA-N 2 1 359.539 3.445 20 0 FGADMP CCCn1nccc1C[NH2+]CC1CC[NH+](Cc2csc(CC)n2)CC1 ZINC000657357761 719632939 /nfs/dbraw/zinc/63/29/39/719632939.db2.gz RUHNRUPCSJSMJU-UHFFFAOYSA-N 2 1 361.559 3.314 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3cc4ccncc4s3)CC2)nc(C)[nH+]1 ZINC000657388932 719638786 /nfs/dbraw/zinc/63/87/86/719638786.db2.gz HUAYPEJGFFGQPK-UHFFFAOYSA-N 2 1 353.495 3.462 20 0 FGADMP C[NH+]1CCN(c2cccc(Cl)c2CNC[C@H]2CC[N@H+]2C(C)(C)C)CC1 ZINC000657525799 719665689 /nfs/dbraw/zinc/66/56/89/719665689.db2.gz WBLJRICFLMKLEM-MRXNPFEDSA-N 2 1 364.965 3.054 20 0 FGADMP C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000781898479 724609221 /nfs/dbraw/zinc/60/92/21/724609221.db2.gz LXVQKKDZUQDCHC-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000781898479 724609224 /nfs/dbraw/zinc/60/92/24/724609224.db2.gz LXVQKKDZUQDCHC-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000657843911 719720072 /nfs/dbraw/zinc/72/00/72/719720072.db2.gz FETATACUHXUAFF-KRWDZBQOSA-N 2 1 358.448 3.463 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C12CCC2 ZINC000658250164 719774529 /nfs/dbraw/zinc/77/45/29/719774529.db2.gz AYYLCIRRTHLTBS-GBESFXJTSA-N 2 1 350.547 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322424 719786149 /nfs/dbraw/zinc/78/61/49/719786149.db2.gz GWUPQIRRKCEHTK-WMZOPIPTSA-N 2 1 352.469 3.427 20 0 FGADMP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000659312396 719894921 /nfs/dbraw/zinc/89/49/21/719894921.db2.gz XVIGPIJGUXPCBU-OALUTQOASA-N 2 1 355.869 3.048 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657641 720092672 /nfs/dbraw/zinc/09/26/72/720092672.db2.gz ZAKLTRIATHRCHB-DBVUQKKJSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657641 720092677 /nfs/dbraw/zinc/09/26/77/720092677.db2.gz ZAKLTRIATHRCHB-DBVUQKKJSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657641 720092680 /nfs/dbraw/zinc/09/26/80/720092680.db2.gz ZAKLTRIATHRCHB-DBVUQKKJSA-N 2 1 366.933 3.196 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659898 720094782 /nfs/dbraw/zinc/09/47/82/720094782.db2.gz SARWNMQYLJTMSV-SJLPKXTDSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659898 720094785 /nfs/dbraw/zinc/09/47/85/720094785.db2.gz SARWNMQYLJTMSV-SJLPKXTDSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C2 ZINC000660659898 720094788 /nfs/dbraw/zinc/09/47/88/720094788.db2.gz SARWNMQYLJTMSV-SJLPKXTDSA-N 2 1 356.432 3.027 20 0 FGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678657 720098768 /nfs/dbraw/zinc/09/87/68/720098768.db2.gz XNQLKXHLNDNMHI-OAQYLSRUSA-N 2 1 358.913 3.498 20 0 FGADMP Brc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252657 720405398 /nfs/dbraw/zinc/40/53/98/720405398.db2.gz QHKSNYUMLKVXDE-JKSUJKDBSA-N 2 1 351.288 3.107 20 0 FGADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@@H]2CCC4(C[NH2+]C4)O2)C3)cs1 ZINC000662280732 720409064 /nfs/dbraw/zinc/40/90/64/720409064.db2.gz PMLLLLPZXVUICM-AWEZNQCLSA-N 2 1 361.536 3.059 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)C1 ZINC000662281205 720409463 /nfs/dbraw/zinc/40/94/63/720409463.db2.gz JXEMILPSURUBJX-HOCLYGCPSA-N 2 1 358.404 3.145 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662283223 720410060 /nfs/dbraw/zinc/41/00/60/720410060.db2.gz SIPNNQBIFGVQFP-WBVHZDCISA-N 2 1 358.404 3.145 20 0 FGADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662299075 720411974 /nfs/dbraw/zinc/41/19/74/720411974.db2.gz ZKKSTISWXRLTQL-WBVHZDCISA-N 2 1 361.555 3.447 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2OC(F)F)[C@@H]1CCC[NH3+] ZINC000662313112 720414021 /nfs/dbraw/zinc/41/40/21/720414021.db2.gz JKNMRANPWVKVEY-UKRRQHHQSA-N 2 1 355.429 3.066 20 0 FGADMP C[NH2+][C@H](C(=O)NCCC[NH+]1CCCCC1)c1cccc(Cl)c1Cl ZINC000662357434 720418188 /nfs/dbraw/zinc/41/81/88/720418188.db2.gz ZKCLEUUAHNSSBU-INIZCTEOSA-N 2 1 358.313 3.246 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000662393331 720424233 /nfs/dbraw/zinc/42/42/33/720424233.db2.gz QHCMFGFUWUDRLC-BLLLJJGKSA-N 2 1 358.313 3.102 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000662474431 720432216 /nfs/dbraw/zinc/43/22/16/720432216.db2.gz WYYBFIOABVTVJM-TXPKVOOTSA-N 2 1 351.560 3.258 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512450 720436735 /nfs/dbraw/zinc/43/67/35/720436735.db2.gz JFGKMPAPKPAWIR-ULQDDVLXSA-N 2 1 355.885 3.117 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512450 720436738 /nfs/dbraw/zinc/43/67/38/720436738.db2.gz JFGKMPAPKPAWIR-ULQDDVLXSA-N 2 1 355.885 3.117 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662798043 720459456 /nfs/dbraw/zinc/45/94/56/720459456.db2.gz PUIPLBXIDKECHH-DOTOQJQBSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662798043 720459459 /nfs/dbraw/zinc/45/94/59/720459459.db2.gz PUIPLBXIDKECHH-DOTOQJQBSA-N 2 1 353.869 3.001 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1F ZINC000668784549 721356221 /nfs/dbraw/zinc/35/62/21/721356221.db2.gz FHHIVDQFNJCQRO-FUHWJXTLSA-N 2 1 352.494 3.056 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669556548 721465809 /nfs/dbraw/zinc/46/58/09/721465809.db2.gz ZIFXARZHNUHNTR-KNXALSJPSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669556548 721465810 /nfs/dbraw/zinc/46/58/10/721465810.db2.gz ZIFXARZHNUHNTR-KNXALSJPSA-N 2 1 370.900 3.039 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000675821896 721776021 /nfs/dbraw/zinc/77/60/21/721776021.db2.gz OWVVMLYLHHAPKY-VQIMIIECSA-N 2 1 363.933 3.285 20 0 FGADMP Fc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1OC(F)F ZINC000677244502 721876775 /nfs/dbraw/zinc/87/67/75/721876775.db2.gz CFAHKKLBMKOBHZ-HNNXBMFYSA-N 2 1 358.404 3.160 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000678080105 721937661 /nfs/dbraw/zinc/93/76/61/721937661.db2.gz NYAKCGQXDGJZAA-CQSZACIVSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000678080105 721937662 /nfs/dbraw/zinc/93/76/62/721937662.db2.gz NYAKCGQXDGJZAA-CQSZACIVSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1ccc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)[nH+]c1C ZINC001164962258 722054881 /nfs/dbraw/zinc/05/48/81/722054881.db2.gz BYMQQLQLKLGOEZ-UHFFFAOYSA-N 2 1 366.509 3.212 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2OCC2CC2)CC1 ZINC000684662255 722351199 /nfs/dbraw/zinc/35/11/99/722351199.db2.gz FKKWASIEHVMEAF-UHFFFAOYSA-N 2 1 365.949 3.246 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738333951 722529806 /nfs/dbraw/zinc/52/98/06/722529806.db2.gz AHOHCCHNUJAWBC-MSOLQXFVSA-N 2 1 352.906 3.030 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738333951 722529807 /nfs/dbraw/zinc/52/98/07/722529807.db2.gz AHOHCCHNUJAWBC-MSOLQXFVSA-N 2 1 352.906 3.030 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741781556 722549044 /nfs/dbraw/zinc/54/90/44/722549044.db2.gz DTDNZJIZUYMTOF-SFHVURJKSA-N 2 1 353.551 3.296 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345399 722725286 /nfs/dbraw/zinc/72/52/86/722725286.db2.gz AJJZYRNJYSZGIJ-FVCZOJIISA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345399 722725288 /nfs/dbraw/zinc/72/52/88/722725288.db2.gz AJJZYRNJYSZGIJ-FVCZOJIISA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345399 722725290 /nfs/dbraw/zinc/72/52/90/722725290.db2.gz AJJZYRNJYSZGIJ-FVCZOJIISA-N 2 1 368.949 3.441 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(-c3ccncc3)s2)C[C@H](C)O1 ZINC000753367951 722895941 /nfs/dbraw/zinc/89/59/41/722895941.db2.gz LAFKZIQXSUUDCK-IYBDPMFKSA-N 2 1 360.527 3.184 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000753763037 722911871 /nfs/dbraw/zinc/91/18/71/722911871.db2.gz LTWXBUNBSKFUBL-FUHIMQAGSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(Br)n1 ZINC000767971428 723642375 /nfs/dbraw/zinc/64/23/75/723642375.db2.gz GFRXZWWWAAKJLO-UHFFFAOYSA-N 2 1 351.292 3.187 20 0 FGADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cn1ccc(Br)n1 ZINC000767971428 723642377 /nfs/dbraw/zinc/64/23/77/723642377.db2.gz GFRXZWWWAAKJLO-UHFFFAOYSA-N 2 1 351.292 3.187 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943774 723977384 /nfs/dbraw/zinc/97/73/84/723977384.db2.gz BDNFKYBFGFZKCI-ABSDTBQOSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943774 723977387 /nfs/dbraw/zinc/97/73/87/723977387.db2.gz BDNFKYBFGFZKCI-ABSDTBQOSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000798943774 723977388 /nfs/dbraw/zinc/97/73/88/723977388.db2.gz BDNFKYBFGFZKCI-ABSDTBQOSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+](C)C1(C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CCCCC1 ZINC000798946124 723977814 /nfs/dbraw/zinc/97/78/14/723977814.db2.gz CEWMFQOAQWULOS-IBGZPJMESA-N 2 1 353.551 3.488 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358611 724017726 /nfs/dbraw/zinc/01/77/26/724017726.db2.gz NKFGAXQAGBDUPA-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358611 724017732 /nfs/dbraw/zinc/01/77/32/724017732.db2.gz NKFGAXQAGBDUPA-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799358611 724017739 /nfs/dbraw/zinc/01/77/39/724017739.db2.gz NKFGAXQAGBDUPA-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H](O)CN1CCCC1 ZINC000775838828 724070094 /nfs/dbraw/zinc/07/00/94/724070094.db2.gz RDSMPQUHUZCCAK-IAGOWNOFSA-N 2 1 369.347 3.159 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](O)C[NH+]1CCCC1 ZINC000775838828 724070099 /nfs/dbraw/zinc/07/00/99/724070099.db2.gz RDSMPQUHUZCCAK-IAGOWNOFSA-N 2 1 369.347 3.159 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450455 724913471 /nfs/dbraw/zinc/91/34/71/724913471.db2.gz FYTAVGWHFCFGFN-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450455 724913475 /nfs/dbraw/zinc/91/34/75/724913475.db2.gz FYTAVGWHFCFGFN-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP Brc1ccc2c(NC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000785800913 724938051 /nfs/dbraw/zinc/93/80/51/724938051.db2.gz OEGSLFHVDAGUKF-ZIAGYGMSSA-N 2 1 362.271 3.272 20 0 FGADMP Brc1ccc2c(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)cc[nH+]c2c1 ZINC000785800913 724938052 /nfs/dbraw/zinc/93/80/52/724938052.db2.gz OEGSLFHVDAGUKF-ZIAGYGMSSA-N 2 1 362.271 3.272 20 0 FGADMP O[C@@H](C[N@@H+](Cc1cccc(Br)c1)CC1CC1)C[NH+]1CCCC1 ZINC000789456186 725129791 /nfs/dbraw/zinc/12/97/91/725129791.db2.gz NNHZEKOQHFFFPM-GOSISDBHSA-N 2 1 367.331 3.118 20 0 FGADMP O[C@@H](C[N@H+](Cc1cccc(Br)c1)CC1CC1)C[NH+]1CCCC1 ZINC000789456186 725129793 /nfs/dbraw/zinc/12/97/93/725129793.db2.gz NNHZEKOQHFFFPM-GOSISDBHSA-N 2 1 367.331 3.118 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000808726320 725214884 /nfs/dbraw/zinc/21/48/84/725214884.db2.gz YEENGUVCRISIQS-BRSBDYLESA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558213 725247550 /nfs/dbraw/zinc/24/75/50/725247550.db2.gz ZTVVOUQICNQZDU-DLBZAZTESA-N 2 1 350.576 3.291 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558213 725247551 /nfs/dbraw/zinc/24/75/51/725247551.db2.gz ZTVVOUQICNQZDU-DLBZAZTESA-N 2 1 350.576 3.291 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000809717361 725262198 /nfs/dbraw/zinc/26/21/98/725262198.db2.gz GPIVIHPJELJDSK-DUQPFJRNSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(SC(F)(F)F)cc1 ZINC000809743465 725264412 /nfs/dbraw/zinc/26/44/12/725264412.db2.gz SAEQNNFZOLBSMW-UHFFFAOYSA-N 2 1 361.477 3.368 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000810487353 725310388 /nfs/dbraw/zinc/31/03/88/725310388.db2.gz QSBATPCWLALIJZ-UHYCVJNDSA-N 2 1 353.526 3.112 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505150 725370359 /nfs/dbraw/zinc/37/03/59/725370359.db2.gz GVLJOQLCTKBMLR-QFBILLFUSA-N 2 1 369.912 3.271 20 0 FGADMP CC(C)(C)OC(=O)N1CCC12CC[NH+](CCC[NH+]1CCCCC1)CC2 ZINC000817286983 727236200 /nfs/dbraw/zinc/23/62/00/727236200.db2.gz CGENWVBPESACLH-UHFFFAOYSA-N 2 1 351.535 3.338 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152226 727353036 /nfs/dbraw/zinc/35/30/36/727353036.db2.gz OQCLVJVHFCBVFW-RHSMWYFYSA-N 2 1 360.420 3.186 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(F)c(Br)c1 ZINC000819277678 727363650 /nfs/dbraw/zinc/36/36/50/727363650.db2.gz FWOOTRUNIHTOAW-MQBCKMQZSA-N 2 1 371.294 3.228 20 0 FGADMP C[C@@](O)(C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)(F)F ZINC000819326628 727367488 /nfs/dbraw/zinc/36/74/88/727367488.db2.gz STQPGXPDHUHKOU-HQSKLWIPSA-N 2 1 356.432 3.475 20 0 FGADMP CCC[C@H](CC)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000820662278 729015384 /nfs/dbraw/zinc/01/53/84/729015384.db2.gz HFSLEFYIZQZCJD-IBGZPJMESA-N 2 1 351.579 3.467 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820869961 729039405 /nfs/dbraw/zinc/03/94/05/729039405.db2.gz ZPPCGQASATWBGV-HZSPNIEDSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820869961 729039406 /nfs/dbraw/zinc/03/94/06/729039406.db2.gz ZPPCGQASATWBGV-HZSPNIEDSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869961 729039408 /nfs/dbraw/zinc/03/94/08/729039408.db2.gz ZPPCGQASATWBGV-HZSPNIEDSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869961 729039412 /nfs/dbraw/zinc/03/94/12/729039412.db2.gz ZPPCGQASATWBGV-HZSPNIEDSA-N 2 1 367.456 3.247 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822463647 729177676 /nfs/dbraw/zinc/17/76/76/729177676.db2.gz HRAFATYBOMXLRI-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000824384192 729334966 /nfs/dbraw/zinc/33/49/66/729334966.db2.gz ZGKSZFDHZOXSDX-FGTMMUONSA-N 2 1 353.551 3.342 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(SC(F)(F)F)cc2)CC12CCOCC2 ZINC000843124433 730588548 /nfs/dbraw/zinc/58/85/48/730588548.db2.gz AUHVCQRYQLTAOX-CQSZACIVSA-N 2 1 360.445 3.486 20 0 FGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125727 730588766 /nfs/dbraw/zinc/58/87/66/730588766.db2.gz GIHVWAFHIOGIBK-LSDHHAIUSA-N 2 1 361.921 3.487 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1ccccc1Br ZINC000843360509 730610396 /nfs/dbraw/zinc/61/03/96/730610396.db2.gz AXLFLFBQBIOBQL-AGUYFDCRSA-N 2 1 366.303 3.122 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1ccccc1Br ZINC000843360509 730610400 /nfs/dbraw/zinc/61/04/00/730610400.db2.gz AXLFLFBQBIOBQL-AGUYFDCRSA-N 2 1 366.303 3.122 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363557 730610921 /nfs/dbraw/zinc/61/09/21/730610921.db2.gz WQTVZPSQHHLZQE-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363557 730610923 /nfs/dbraw/zinc/61/09/23/730610923.db2.gz WQTVZPSQHHLZQE-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388742 730612460 /nfs/dbraw/zinc/61/24/60/730612460.db2.gz WYPFNLXNCOIRFL-ZIAGYGMSSA-N 2 1 369.481 3.261 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000850357641 731347973 /nfs/dbraw/zinc/34/79/73/731347973.db2.gz QJBAGPAXARHCPZ-KZNAEPCWSA-N 2 1 356.432 3.464 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000850379859 731350364 /nfs/dbraw/zinc/35/03/64/731350364.db2.gz HNEFQOAFDVEGFM-LULLPPNCSA-N 2 1 350.453 3.443 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@H+]1Cc1ccccc1 ZINC000850379859 731350366 /nfs/dbraw/zinc/35/03/66/731350366.db2.gz HNEFQOAFDVEGFM-LULLPPNCSA-N 2 1 350.453 3.443 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538428 731370670 /nfs/dbraw/zinc/37/06/70/731370670.db2.gz FIIJTKQVZORGKZ-NVXWUHKLSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000850538428 731370671 /nfs/dbraw/zinc/37/06/71/731370671.db2.gz FIIJTKQVZORGKZ-NVXWUHKLSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000851629953 731479734 /nfs/dbraw/zinc/47/97/34/731479734.db2.gz DBIOZMPTOXXESJ-WQGACYEGSA-N 2 1 358.313 3.243 20 0 FGADMP C[C@]12CC[N@@H+](CCCCCC[NH3+])C[C@H]1C2(Br)Br ZINC000852755098 731630799 /nfs/dbraw/zinc/63/07/99/731630799.db2.gz XTCSMXHHALDJRV-NEPJUHHUSA-N 2 1 368.157 3.333 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000852798697 731636640 /nfs/dbraw/zinc/63/66/40/731636640.db2.gz APBQVLMFOBWEBQ-HNNXBMFYSA-N 2 1 366.937 3.041 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853239150 731686124 /nfs/dbraw/zinc/68/61/24/731686124.db2.gz BHDBEGVTDJWYPK-GVDBMIGSSA-N 2 1 358.473 3.065 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3sccc3OC)C2)ccn1 ZINC000856553988 732038367 /nfs/dbraw/zinc/03/83/67/732038367.db2.gz ZIFIDJAUPNFDJG-QGZVFWFLSA-N 2 1 361.511 3.257 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3sccc3OC)C2)ccn1 ZINC000856553988 732038372 /nfs/dbraw/zinc/03/83/72/732038372.db2.gz ZIFIDJAUPNFDJG-QGZVFWFLSA-N 2 1 361.511 3.257 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3sccc3OC)C2)ccn1 ZINC000856553988 732038375 /nfs/dbraw/zinc/03/83/75/732038375.db2.gz ZIFIDJAUPNFDJG-QGZVFWFLSA-N 2 1 361.511 3.257 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC000856776367 732058712 /nfs/dbraw/zinc/05/87/12/732058712.db2.gz QOSDKHJUUZITLT-BHIYHBOVSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(Cl)n1 ZINC000856776367 732058714 /nfs/dbraw/zinc/05/87/14/732058714.db2.gz QOSDKHJUUZITLT-BHIYHBOVSA-N 2 1 358.917 3.464 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913690 732168843 /nfs/dbraw/zinc/16/88/43/732168843.db2.gz DUNVGMFLBXCRAK-MSOLQXFVSA-N 2 1 357.885 3.079 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000859118701 732279922 /nfs/dbraw/zinc/27/99/22/732279922.db2.gz QPPNCBBTLVAUPP-UHFFFAOYSA-N 2 1 353.551 3.296 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000865476143 733208780 /nfs/dbraw/zinc/20/87/80/733208780.db2.gz UPNPBPYRFRFSOU-PAQOUXTFSA-N 2 1 363.571 3.416 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000865476143 733208785 /nfs/dbraw/zinc/20/87/85/733208785.db2.gz UPNPBPYRFRFSOU-PAQOUXTFSA-N 2 1 363.571 3.416 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCOC3(CCCC3)C2)c2cccs2)CC1 ZINC000872016955 735576629 /nfs/dbraw/zinc/57/66/29/735576629.db2.gz RGDGYCKHBXNSMS-QZTJIDSGSA-N 2 1 363.571 3.118 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872053793 735582299 /nfs/dbraw/zinc/58/22/99/735582299.db2.gz NDPUMUCOUXOKMM-SJLPKXTDSA-N 2 1 365.315 3.378 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128898 735593443 /nfs/dbraw/zinc/59/34/43/735593443.db2.gz NIOJONYLTAOMGQ-QAETUUGQSA-N 2 1 351.535 3.237 20 0 FGADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000873283480 735746056 /nfs/dbraw/zinc/74/60/56/735746056.db2.gz UWFNGJHZAIPCAG-MELADBBJSA-N 2 1 363.811 3.001 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877089529 736186023 /nfs/dbraw/zinc/18/60/23/736186023.db2.gz NTULEBWEJUCEBQ-IAGOWNOFSA-N 2 1 363.889 3.339 20 0 FGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000877156555 736193322 /nfs/dbraw/zinc/19/33/22/736193322.db2.gz XGIPNTJZTGFQPA-HWRSSNJWSA-N 2 1 368.462 3.375 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740289 736712210 /nfs/dbraw/zinc/71/22/10/736712210.db2.gz JXAQZTAHEVKAHM-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740289 736712213 /nfs/dbraw/zinc/71/22/13/736712213.db2.gz JXAQZTAHEVKAHM-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740289 736712217 /nfs/dbraw/zinc/71/22/17/736712217.db2.gz JXAQZTAHEVKAHM-RCCFBDPRSA-N 2 1 351.535 3.050 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)n1 ZINC000879247637 736972210 /nfs/dbraw/zinc/97/22/10/736972210.db2.gz FOHMZTYBTAKSRC-MRXNPFEDSA-N 2 1 350.507 3.111 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248877 736972735 /nfs/dbraw/zinc/97/27/35/736972735.db2.gz XNSMTWXDXCLSEH-UHFFFAOYSA-N 2 1 365.905 3.095 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000879673720 737030264 /nfs/dbraw/zinc/03/02/64/737030264.db2.gz ZPZWUXJEQGPSSA-KZNAEPCWSA-N 2 1 354.416 3.110 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CC=CC[C@H]2C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000879673720 737030267 /nfs/dbraw/zinc/03/02/67/737030267.db2.gz ZPZWUXJEQGPSSA-KZNAEPCWSA-N 2 1 354.416 3.110 20 0 FGADMP Cc1csc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000880010598 737099590 /nfs/dbraw/zinc/09/95/90/737099590.db2.gz BWLIMRAJYFAKAO-LJQANCHMSA-N 2 1 357.523 3.273 20 0 FGADMP Cc1csc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000880010598 737099596 /nfs/dbraw/zinc/09/95/96/737099596.db2.gz BWLIMRAJYFAKAO-LJQANCHMSA-N 2 1 357.523 3.273 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000880475294 737179042 /nfs/dbraw/zinc/17/90/42/737179042.db2.gz UZKCHFTWQSLDQG-QGZVFWFLSA-N 2 1 356.432 3.169 20 0 FGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956823 739202873 /nfs/dbraw/zinc/20/28/73/739202873.db2.gz ZKDHUDRGVABMBP-ZWKOTPCHSA-N 2 1 364.555 3.278 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956823 739202878 /nfs/dbraw/zinc/20/28/78/739202878.db2.gz ZKDHUDRGVABMBP-ZWKOTPCHSA-N 2 1 364.555 3.278 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000892085612 739962836 /nfs/dbraw/zinc/96/28/36/739962836.db2.gz HHKIALFCWVXYBU-FGTMMUONSA-N 2 1 351.535 3.240 20 0 FGADMP CCc1nnc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)s1 ZINC000892379881 739995583 /nfs/dbraw/zinc/99/55/83/739995583.db2.gz JSSVONSPHFNKFP-UHFFFAOYSA-N 2 1 359.543 3.491 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894260409 742259387 /nfs/dbraw/zinc/25/93/87/742259387.db2.gz MGYSXQOTGOQEAU-CQSZACIVSA-N 2 1 353.919 3.276 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845269 742461831 /nfs/dbraw/zinc/46/18/31/742461831.db2.gz URYLMNHTCJDUNH-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845269 742461834 /nfs/dbraw/zinc/46/18/34/742461834.db2.gz URYLMNHTCJDUNH-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000895845269 742461837 /nfs/dbraw/zinc/46/18/37/742461837.db2.gz URYLMNHTCJDUNH-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794290 743776521 /nfs/dbraw/zinc/77/65/21/743776521.db2.gz UZRNJQLUUHNFSD-NEPJUHHUSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794290 743776522 /nfs/dbraw/zinc/77/65/22/743776522.db2.gz UZRNJQLUUHNFSD-NEPJUHHUSA-N 2 1 363.449 3.005 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460439 743853198 /nfs/dbraw/zinc/85/31/98/743853198.db2.gz CKQIPCDIGKOLAF-BMFZPTHFSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460439 743853202 /nfs/dbraw/zinc/85/32/02/743853202.db2.gz CKQIPCDIGKOLAF-BMFZPTHFSA-N 2 1 371.294 3.449 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)ccc1SC ZINC000903726203 743879511 /nfs/dbraw/zinc/87/95/11/743879511.db2.gz KPSZBMOJHQWYEQ-INIZCTEOSA-N 2 1 350.528 3.008 20 0 FGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@@H]4C[C@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732989 743879963 /nfs/dbraw/zinc/87/99/63/743879963.db2.gz ITOOILFZGOODFU-GUXCAODWSA-N 2 1 357.523 3.244 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OCCC(C)C ZINC000903955521 743904735 /nfs/dbraw/zinc/90/47/35/743904735.db2.gz UHDRLLCIQMAMLR-MRXNPFEDSA-N 2 1 356.457 3.455 20 0 FGADMP CCCOc1c(Cl)cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955494 743904750 /nfs/dbraw/zinc/90/47/50/743904750.db2.gz SYVKLOQEMLUUEU-CYBMUJFWSA-N 2 1 362.848 3.472 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969688 743906744 /nfs/dbraw/zinc/90/67/44/743906744.db2.gz JBYCYNXCZTUEPR-PBHICJAKSA-N 2 1 356.432 3.385 20 0 FGADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474210 743957115 /nfs/dbraw/zinc/95/71/15/743957115.db2.gz KDZIEMHFMFRWIC-SJKOYZFVSA-N 2 1 367.280 3.072 20 0 FGADMP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000913388047 757507060 /nfs/dbraw/zinc/50/70/60/757507060.db2.gz SZQQUNAWAFZPHL-GOSISDBHSA-N 2 1 363.933 3.247 20 0 FGADMP C[NH+](C)C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000913388047 757507066 /nfs/dbraw/zinc/50/70/66/757507066.db2.gz SZQQUNAWAFZPHL-GOSISDBHSA-N 2 1 363.933 3.247 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(C(C)(C)C)s1)C2 ZINC000922391101 758911696 /nfs/dbraw/zinc/91/16/96/758911696.db2.gz RZQKONQSBZDYRO-XNWVLMOPSA-N 2 1 351.560 3.010 20 0 FGADMP CC1([NH+]2CCC2)CCC([NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000922846186 759014892 /nfs/dbraw/zinc/01/48/92/759014892.db2.gz WLXKOGSGTSCSFC-UHFFFAOYSA-N 2 1 370.946 3.240 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000923329728 759101761 /nfs/dbraw/zinc/10/17/61/759101761.db2.gz NUBVSOHOODQWSP-WTUNAVPPSA-N 2 1 359.297 3.077 20 0 FGADMP CCCCCC[C@@H](O)C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923344757 759103669 /nfs/dbraw/zinc/10/36/69/759103669.db2.gz CYSDEWDJVXDARX-SJORKVTESA-N 2 1 351.560 3.419 20 0 FGADMP CCCCCC[C@@H](O)C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000923344757 759103678 /nfs/dbraw/zinc/10/36/78/759103678.db2.gz CYSDEWDJVXDARX-SJORKVTESA-N 2 1 351.560 3.419 20 0 FGADMP Brc1cnc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000924648114 759368134 /nfs/dbraw/zinc/36/81/34/759368134.db2.gz KPZJPHXFVSFRJE-LRDDRELGSA-N 2 1 350.304 3.295 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)[C@H]1c1cccs1 ZINC000925133394 759452493 /nfs/dbraw/zinc/45/24/93/759452493.db2.gz CVQYZNFQMLHCAS-NJAFHUGGSA-N 2 1 350.528 3.059 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC23CCOCC3)[C@H]1c1cccs1 ZINC000925133394 759452494 /nfs/dbraw/zinc/45/24/94/759452494.db2.gz CVQYZNFQMLHCAS-NJAFHUGGSA-N 2 1 350.528 3.059 20 0 FGADMP C[N@H+]1CC[C@H](CN[C@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925628676 759514744 /nfs/dbraw/zinc/51/47/44/759514744.db2.gz GUDOMRKDMVYNSB-JLSDUUJJSA-N 2 1 351.897 3.346 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925655107 759518825 /nfs/dbraw/zinc/51/88/25/759518825.db2.gz PTYOIYYBOBHSET-HZPDHXFCSA-N 2 1 357.420 3.281 20 0 FGADMP OCC[NH+]1CCC([NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000925833175 759553851 /nfs/dbraw/zinc/55/38/51/759553851.db2.gz UZXIBMXBFRXRGZ-UHFFFAOYSA-N 2 1 350.347 3.086 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000926332406 759718829 /nfs/dbraw/zinc/71/88/29/759718829.db2.gz XONOPNWTIMKCET-ZGUYJTEBSA-N 2 1 359.480 3.398 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2c1nccc2Cl ZINC000926435779 759749678 /nfs/dbraw/zinc/74/96/78/759749678.db2.gz QFMRCNREZCXFPM-KRWDZBQOSA-N 2 1 360.889 3.238 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)CS(C)(=O)=O)CC1 ZINC000926954507 759857700 /nfs/dbraw/zinc/85/77/00/759857700.db2.gz DSZACCDVFZCVMA-UHFFFAOYSA-N 2 1 366.571 3.090 20 0 FGADMP FC1(F)[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[C@@H]1c1ccccc1 ZINC000926975647 759865384 /nfs/dbraw/zinc/86/53/84/759865384.db2.gz CSWUXLFVHNOQMO-FHWLQOOXSA-N 2 1 350.453 3.268 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000961854253 762753460 /nfs/dbraw/zinc/75/34/60/762753460.db2.gz CAKBBFIFOIUJJT-SOTJZCEJSA-N 2 1 363.933 3.055 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000971572855 762914983 /nfs/dbraw/zinc/91/49/83/762914983.db2.gz PDUGJRDGUZGOTO-CEXWTWQISA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC000971572855 762914987 /nfs/dbraw/zinc/91/49/87/762914987.db2.gz PDUGJRDGUZGOTO-CEXWTWQISA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC000971572855 762914990 /nfs/dbraw/zinc/91/49/90/762914990.db2.gz PDUGJRDGUZGOTO-CEXWTWQISA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[NH+]2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587767 763033145 /nfs/dbraw/zinc/03/31/45/763033145.db2.gz MESJJZGTOCTPTE-OLMNPRSZSA-N 2 1 363.571 3.032 20 0 FGADMP Cc1cc(C[N@H+]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587767 763033152 /nfs/dbraw/zinc/03/31/52/763033152.db2.gz MESJJZGTOCTPTE-OLMNPRSZSA-N 2 1 363.571 3.032 20 0 FGADMP Cc1cc(C[N@@H+]2C[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)c(C)s1 ZINC000974587767 763033158 /nfs/dbraw/zinc/03/31/58/763033158.db2.gz MESJJZGTOCTPTE-OLMNPRSZSA-N 2 1 363.571 3.032 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)cc3)C(C)(C)C2)CC[N@H+]1C ZINC000995833688 764971578 /nfs/dbraw/zinc/97/15/78/764971578.db2.gz RMJUIMLWGAZTDY-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000999208094 765146995 /nfs/dbraw/zinc/14/69/95/765146995.db2.gz LSITWHGTRQPWKL-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001001417434 765285936 /nfs/dbraw/zinc/28/59/36/765285936.db2.gz COZPMYWUWOSOSI-CZUORRHYSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001007368139 765589016 /nfs/dbraw/zinc/58/90/16/765589016.db2.gz CNADWWVXAGHWCB-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001007368139 765589021 /nfs/dbraw/zinc/58/90/21/765589021.db2.gz CNADWWVXAGHWCB-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001007368139 765589025 /nfs/dbraw/zinc/58/90/25/765589025.db2.gz CNADWWVXAGHWCB-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001007368139 765589031 /nfs/dbraw/zinc/58/90/31/765589031.db2.gz CNADWWVXAGHWCB-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001024447096 766052617 /nfs/dbraw/zinc/05/26/17/766052617.db2.gz QMEFHBIHQQOWAS-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001024447096 766052625 /nfs/dbraw/zinc/05/26/25/766052625.db2.gz QMEFHBIHQQOWAS-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001024447096 766052632 /nfs/dbraw/zinc/05/26/32/766052632.db2.gz QMEFHBIHQQOWAS-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001024447096 766052638 /nfs/dbraw/zinc/05/26/38/766052638.db2.gz QMEFHBIHQQOWAS-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001027416814 766092759 /nfs/dbraw/zinc/09/27/59/766092759.db2.gz MGVVPHMOIXSUNH-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001027416814 766092767 /nfs/dbraw/zinc/09/27/67/766092767.db2.gz MGVVPHMOIXSUNH-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001027416814 766092776 /nfs/dbraw/zinc/09/27/76/766092776.db2.gz MGVVPHMOIXSUNH-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001027416161 766093233 /nfs/dbraw/zinc/09/32/33/766093233.db2.gz AEBHLIWHIXSKJZ-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001027416161 766093241 /nfs/dbraw/zinc/09/32/41/766093241.db2.gz AEBHLIWHIXSKJZ-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001027416161 766093250 /nfs/dbraw/zinc/09/32/50/766093250.db2.gz AEBHLIWHIXSKJZ-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001033097107 766207079 /nfs/dbraw/zinc/20/70/79/766207079.db2.gz VZRYWLYWVCFAOH-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001033097107 766207082 /nfs/dbraw/zinc/20/70/82/766207082.db2.gz VZRYWLYWVCFAOH-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001033097107 766207085 /nfs/dbraw/zinc/20/70/85/766207085.db2.gz VZRYWLYWVCFAOH-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001033097107 766207088 /nfs/dbraw/zinc/20/70/88/766207088.db2.gz VZRYWLYWVCFAOH-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001033834386 766223239 /nfs/dbraw/zinc/22/32/39/766223239.db2.gz QDEMLRBLMGNIJD-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC001033834386 766223244 /nfs/dbraw/zinc/22/32/44/766223244.db2.gz QDEMLRBLMGNIJD-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC001033834386 766223245 /nfs/dbraw/zinc/22/32/45/766223245.db2.gz QDEMLRBLMGNIJD-ATZDWAIDSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2c(C)cccc2Cl)CC[N@@H+]1C ZINC001038268579 766270902 /nfs/dbraw/zinc/27/09/02/766270902.db2.gz HQPRKCKNPQGMRX-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2c(C)cccc2Cl)CC[N@H+]1C ZINC001038268579 766270906 /nfs/dbraw/zinc/27/09/06/766270906.db2.gz HQPRKCKNPQGMRX-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2c(C)cccc2Cl)CC[NH+]1C ZINC001038268579 766270910 /nfs/dbraw/zinc/27/09/10/766270910.db2.gz HQPRKCKNPQGMRX-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2c(C)cccc2Cl)CC[NH+]1C ZINC001038268579 766270914 /nfs/dbraw/zinc/27/09/14/766270914.db2.gz HQPRKCKNPQGMRX-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](C/C=C/Cl)CC3)C2)CC[N@H+]1C ZINC001047243194 766632681 /nfs/dbraw/zinc/63/26/81/766632681.db2.gz XLTMUDFBSUNZER-ZYVNMVKGSA-N 2 1 367.965 3.030 20 0 FGADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(Br)c1O ZINC000080199104 494635696 /nfs/dbraw/zinc/63/56/96/494635696.db2.gz MIPKUZKCMWLQND-NSHDSACASA-N 2 1 368.275 3.094 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000576688067 505570844 /nfs/dbraw/zinc/57/08/44/505570844.db2.gz QLGIZTWHXSSDRX-GOSISDBHSA-N 2 1 360.546 3.248 20 0 FGADMP C[C@@H](C[NH2+]Cc1cc(Br)cc(Br)c1)C[NH+](C)C ZINC000394584065 499562140 /nfs/dbraw/zinc/56/21/40/499562140.db2.gz VYOHVQBTZIALBA-JTQLQIEISA-N 2 1 364.125 3.499 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000567910460 505573371 /nfs/dbraw/zinc/57/33/71/505573371.db2.gz YAQRLTWIWGXISG-MSOLQXFVSA-N 2 1 367.484 3.370 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000567910460 505573373 /nfs/dbraw/zinc/57/33/73/505573373.db2.gz YAQRLTWIWGXISG-MSOLQXFVSA-N 2 1 367.484 3.370 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)ccn1 ZINC000527713282 503909498 /nfs/dbraw/zinc/90/94/98/503909498.db2.gz RKFYRQUOSQKDBM-JOCHJYFZSA-N 2 1 365.521 3.408 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]21 ZINC000573608391 505577529 /nfs/dbraw/zinc/57/75/29/505577529.db2.gz OUDVVAHTTGPXKA-DJIMGWMZSA-N 2 1 364.415 3.450 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000573637235 505583874 /nfs/dbraw/zinc/58/38/74/505583874.db2.gz JWASGZKISBIVAN-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000573637234 505584389 /nfs/dbraw/zinc/58/43/89/505584389.db2.gz JWASGZKISBIVAN-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000573666626 505591715 /nfs/dbraw/zinc/59/17/15/505591715.db2.gz PPUBCLBCZRBNBH-RBUKOAKNSA-N 2 1 354.498 3.130 20 0 FGADMP CC(C[NH+]1CC[C@@H](c2ccncc2)C1)C[N@H+]1CC[C@@H](c2ccncc2)C1 ZINC000568176981 505635967 /nfs/dbraw/zinc/63/59/67/505635967.db2.gz JZFMWUKVFAHFHF-FGZHOGPDSA-N 2 1 350.510 3.392 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648836 494107898 /nfs/dbraw/zinc/10/78/98/494107898.db2.gz DXOQNZZFPJXIBM-CHWSQXEVSA-N 2 1 370.278 3.426 20 0 FGADMP COC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCCC1 ZINC000571064528 505645299 /nfs/dbraw/zinc/64/52/99/505645299.db2.gz AFGMJBXDAIUWFR-OAQYLSRUSA-N 2 1 372.553 3.464 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000573917778 505651384 /nfs/dbraw/zinc/65/13/84/505651384.db2.gz FWSKWVAMQFPDNU-XMSQKQJNSA-N 2 1 370.541 3.095 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000568277464 505657115 /nfs/dbraw/zinc/65/71/15/505657115.db2.gz XARGQYMKABRMMN-GBAJDQEWSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000568277464 505657117 /nfs/dbraw/zinc/65/71/17/505657117.db2.gz XARGQYMKABRMMN-GBAJDQEWSA-N 2 1 369.553 3.420 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)N[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000577086707 505661641 /nfs/dbraw/zinc/66/16/41/505661641.db2.gz AVBPKZYFVCNSNR-ICSRJNTNSA-N 2 1 361.505 3.151 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC12CCOCC2 ZINC000573972078 505663158 /nfs/dbraw/zinc/66/31/58/505663158.db2.gz DCKRNBUSGUYERG-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ncc(-c3cccc(Cl)c3)o2)CC12CCOCC2 ZINC000573972078 505663161 /nfs/dbraw/zinc/66/31/61/505663161.db2.gz DCKRNBUSGUYERG-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000571158780 505668195 /nfs/dbraw/zinc/66/81/95/505668195.db2.gz WQIIBSJJSBKQKI-QUCCMNQESA-N 2 1 366.509 3.301 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000047978710 493769585 /nfs/dbraw/zinc/76/95/85/493769585.db2.gz PMPPAUCIAALOOL-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000057825936 493803980 /nfs/dbraw/zinc/80/39/80/493803980.db2.gz IWSVJCIMYVBIEY-VQTJNVASSA-N 2 1 357.473 3.238 20 0 FGADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145386 493832120 /nfs/dbraw/zinc/83/21/20/493832120.db2.gz QMOUDIKEJNMEDZ-QFBILLFUSA-N 2 1 361.530 3.216 20 0 FGADMP CCc1ccc([C@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145386 493832123 /nfs/dbraw/zinc/83/21/23/493832123.db2.gz QMOUDIKEJNMEDZ-QFBILLFUSA-N 2 1 361.530 3.216 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331185 493866630 /nfs/dbraw/zinc/86/66/30/493866630.db2.gz IGRYYDOGJFVIII-MRXNPFEDSA-N 2 1 350.482 3.014 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331534 493866906 /nfs/dbraw/zinc/86/69/06/493866906.db2.gz RHENUXIKNUIWGV-MRXNPFEDSA-N 2 1 350.482 3.014 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081364631 493880580 /nfs/dbraw/zinc/88/05/80/493880580.db2.gz USNXBMKDNIGFOW-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636260 493935796 /nfs/dbraw/zinc/93/57/96/493935796.db2.gz XYUTXHSTCPKDMJ-SIKLNZKXSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636260 493935798 /nfs/dbraw/zinc/93/57/98/493935798.db2.gz XYUTXHSTCPKDMJ-SIKLNZKXSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000081636260 493935800 /nfs/dbraw/zinc/93/58/00/493935800.db2.gz XYUTXHSTCPKDMJ-SIKLNZKXSA-N 2 1 369.553 3.234 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000577221565 505690671 /nfs/dbraw/zinc/69/06/71/505690671.db2.gz YUBAJNGISKVXSR-UKTARXLSSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000577221565 505690674 /nfs/dbraw/zinc/69/06/74/505690674.db2.gz YUBAJNGISKVXSR-UKTARXLSSA-N 2 1 355.404 3.092 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000061498750 493980657 /nfs/dbraw/zinc/98/06/57/493980657.db2.gz ICPHLTJFFBNVNG-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCCC[C@@H]1C ZINC000061501584 493980934 /nfs/dbraw/zinc/98/09/34/493980934.db2.gz KAXDTIQUQHITQY-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@@H+]1CCCC[C@@H]1C ZINC000061501584 493980937 /nfs/dbraw/zinc/98/09/37/493980937.db2.gz KAXDTIQUQHITQY-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)Cc1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000061501584 493980939 /nfs/dbraw/zinc/98/09/39/493980939.db2.gz KAXDTIQUQHITQY-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)c1 ZINC000061908303 493999177 /nfs/dbraw/zinc/99/91/77/493999177.db2.gz YIAZWVLFMHIQJE-IBGZPJMESA-N 2 1 374.554 3.302 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000052289505 494016932 /nfs/dbraw/zinc/01/69/32/494016932.db2.gz WHHCKXCUVRQHSG-QGZVFWFLSA-N 2 1 369.513 3.065 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000052289505 494016937 /nfs/dbraw/zinc/01/69/37/494016937.db2.gz WHHCKXCUVRQHSG-QGZVFWFLSA-N 2 1 369.513 3.065 20 0 FGADMP O[C@H](CCc1ccccc1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568450162 505696669 /nfs/dbraw/zinc/69/66/69/505696669.db2.gz LQAHWBNRYSBRNR-WXFUMESZSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568450162 505696673 /nfs/dbraw/zinc/69/66/73/505696673.db2.gz LQAHWBNRYSBRNR-WXFUMESZSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000568450162 505696677 /nfs/dbraw/zinc/69/66/77/505696677.db2.gz LQAHWBNRYSBRNR-WXFUMESZSA-N 2 1 364.533 3.434 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000580178801 505697223 /nfs/dbraw/zinc/69/72/23/505697223.db2.gz FTCFGYCTFMQLOD-SFHVURJKSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCC1 ZINC000077357299 494066395 /nfs/dbraw/zinc/06/63/95/494066395.db2.gz FTFGSVOMXDARPH-UHFFFAOYSA-N 2 1 361.555 3.437 20 0 FGADMP CCC[N@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000063755748 494083873 /nfs/dbraw/zinc/08/38/73/494083873.db2.gz SQSFGYJHKDZPKP-UHFFFAOYSA-N 2 1 365.521 3.262 20 0 FGADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000063755748 494083876 /nfs/dbraw/zinc/08/38/76/494083876.db2.gz SQSFGYJHKDZPKP-UHFFFAOYSA-N 2 1 365.521 3.262 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+](C)Cc2ccccc2)c1 ZINC000064226989 494106943 /nfs/dbraw/zinc/10/69/43/494106943.db2.gz LJVRZCCWMFSWGX-UHFFFAOYSA-N 2 1 368.525 3.070 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000064226989 494106946 /nfs/dbraw/zinc/10/69/46/494106946.db2.gz LJVRZCCWMFSWGX-UHFFFAOYSA-N 2 1 368.525 3.070 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)c1 ZINC000064226989 494106950 /nfs/dbraw/zinc/10/69/50/494106950.db2.gz LJVRZCCWMFSWGX-UHFFFAOYSA-N 2 1 368.525 3.070 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000085388335 494119594 /nfs/dbraw/zinc/11/95/94/494119594.db2.gz WWEYGNBJGSQPCN-FXAWDEMLSA-N 2 1 360.546 3.010 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085424745 494124584 /nfs/dbraw/zinc/12/45/84/494124584.db2.gz KEQWNOKYGJGHFC-QGZVFWFLSA-N 2 1 354.583 3.116 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305991 505703040 /nfs/dbraw/zinc/70/30/40/505703040.db2.gz BWWUQJSHIISLRS-RTWAWAEBSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000571305991 505703043 /nfs/dbraw/zinc/70/30/43/505703043.db2.gz BWWUQJSHIISLRS-RTWAWAEBSA-N 2 1 360.542 3.323 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000054117803 494196472 /nfs/dbraw/zinc/19/64/72/494196472.db2.gz FJOAXKIUVSYSMW-NRFANRHFSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073034065 494310293 /nfs/dbraw/zinc/31/02/93/494310293.db2.gz FWRYYLVHHPJQKZ-PKOBYXMFSA-N 2 1 363.571 3.013 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000045121401 494399146 /nfs/dbraw/zinc/39/91/46/494399146.db2.gz FNNDOEUZABPXPH-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000073898575 494445142 /nfs/dbraw/zinc/44/51/42/494445142.db2.gz AOTUYINVWGVNGO-ROUUACIJSA-N 2 1 364.534 3.178 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000574200886 505718845 /nfs/dbraw/zinc/71/88/45/505718845.db2.gz HMRJFHJEBADENZ-UHFFFAOYSA-N 2 1 356.449 3.078 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000574200886 505718849 /nfs/dbraw/zinc/71/88/49/505718849.db2.gz HMRJFHJEBADENZ-UHFFFAOYSA-N 2 1 356.449 3.078 20 0 FGADMP Clc1ccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000090409503 494463642 /nfs/dbraw/zinc/46/36/42/494463642.db2.gz FGNWAFCUZVLMIN-UHFFFAOYSA-N 2 1 359.901 3.411 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000090526038 494477894 /nfs/dbraw/zinc/47/78/94/494477894.db2.gz KWDMUCOTORHKKL-NJYVYQBISA-N 2 1 374.525 3.266 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000090529883 494479349 /nfs/dbraw/zinc/47/93/49/494479349.db2.gz YAHLDESBPZGTJQ-OAQYLSRUSA-N 2 1 361.599 3.412 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000090949048 494505740 /nfs/dbraw/zinc/50/57/40/494505740.db2.gz WCMQLUYIZOMXLH-NJAFHUGGSA-N 2 1 365.587 3.462 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000079688448 494508261 /nfs/dbraw/zinc/50/82/61/494508261.db2.gz AAKSDALZISRVNP-IBGZPJMESA-N 2 1 366.594 3.262 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107833825 494608480 /nfs/dbraw/zinc/60/84/80/494608480.db2.gz NJWDBKBTVHVSFV-UXHICEINSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115828596 494635238 /nfs/dbraw/zinc/63/52/38/494635238.db2.gz UEVQKDKUFDROMG-ROUUACIJSA-N 2 1 360.546 3.099 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000121191407 494638742 /nfs/dbraw/zinc/63/87/42/494638742.db2.gz IONFNTVUSAHWDV-KRWDZBQOSA-N 2 1 350.503 3.136 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000121191407 494638750 /nfs/dbraw/zinc/63/87/50/494638750.db2.gz IONFNTVUSAHWDV-KRWDZBQOSA-N 2 1 350.503 3.136 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2C)CC1 ZINC000075007469 494672676 /nfs/dbraw/zinc/67/26/76/494672676.db2.gz GTIYFWGXVCJHFV-GOSISDBHSA-N 2 1 361.530 3.145 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000121268936 494676004 /nfs/dbraw/zinc/67/60/04/494676004.db2.gz KTPLBNZSPPBVPE-LJQANCHMSA-N 2 1 367.537 3.167 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080599028 494742708 /nfs/dbraw/zinc/74/27/08/494742708.db2.gz YXOVITWNZJKLON-QZTJIDSGSA-N 2 1 359.514 3.220 20 0 FGADMP CN(CC[N@H+](C)Cc1ccccc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000126466252 494762426 /nfs/dbraw/zinc/76/24/26/494762426.db2.gz ILWBDQYSOUUSAS-UHFFFAOYSA-N 2 1 373.463 3.086 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1OCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000126466252 494762432 /nfs/dbraw/zinc/76/24/32/494762432.db2.gz ILWBDQYSOUUSAS-UHFFFAOYSA-N 2 1 373.463 3.086 20 0 FGADMP CN(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000092820947 494763539 /nfs/dbraw/zinc/76/35/39/494763539.db2.gz RYKFMGKFLNQCDX-UHFFFAOYSA-N 2 1 372.557 3.411 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000126658525 494813608 /nfs/dbraw/zinc/81/36/08/494813608.db2.gz PQVAIDXWZMJSSY-UONOGXRCSA-N 2 1 369.303 3.183 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(Br)c1OC ZINC000126658525 494813614 /nfs/dbraw/zinc/81/36/14/494813614.db2.gz PQVAIDXWZMJSSY-UONOGXRCSA-N 2 1 369.303 3.183 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384481 505745836 /nfs/dbraw/zinc/74/58/36/505745836.db2.gz XENLKMVJRVCCKS-UYAOXDASSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384481 505745840 /nfs/dbraw/zinc/74/58/40/505745840.db2.gz XENLKMVJRVCCKS-UYAOXDASSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384481 505745841 /nfs/dbraw/zinc/74/58/41/505745841.db2.gz XENLKMVJRVCCKS-UYAOXDASSA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCO5)C[C@H]3C2)cc1 ZINC000580384481 505745845 /nfs/dbraw/zinc/74/58/45/505745845.db2.gz XENLKMVJRVCCKS-UYAOXDASSA-N 2 1 350.462 3.369 20 0 FGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126876959 494853995 /nfs/dbraw/zinc/85/39/95/494853995.db2.gz BNYMPYKKRHRYSD-SJORKVTESA-N 2 1 351.560 3.197 20 0 FGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126876959 494853998 /nfs/dbraw/zinc/85/39/98/494853998.db2.gz BNYMPYKKRHRYSD-SJORKVTESA-N 2 1 351.560 3.197 20 0 FGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126877379 494854529 /nfs/dbraw/zinc/85/45/29/494854529.db2.gz BNYMPYKKRHRYSD-IAGOWNOFSA-N 2 1 351.560 3.197 20 0 FGADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126877379 494854534 /nfs/dbraw/zinc/85/45/34/494854534.db2.gz BNYMPYKKRHRYSD-IAGOWNOFSA-N 2 1 351.560 3.197 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116816774 494856695 /nfs/dbraw/zinc/85/66/95/494856695.db2.gz IVOBQYBQGAUZEB-INIZCTEOSA-N 2 1 353.894 3.093 20 0 FGADMP CCC[N@H+](Cc1nc(C)ccc1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417536 494890059 /nfs/dbraw/zinc/89/00/59/494890059.db2.gz VMHWPXYZKGVHCE-UHFFFAOYSA-N 2 1 369.513 3.383 20 0 FGADMP CCC[N@@H+](Cc1nc(C)ccc1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417536 494890062 /nfs/dbraw/zinc/89/00/62/494890062.db2.gz VMHWPXYZKGVHCE-UHFFFAOYSA-N 2 1 369.513 3.383 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644492 494906497 /nfs/dbraw/zinc/90/64/97/494906497.db2.gz HJWOZGZJQIPPEC-RXVVDRJESA-N 2 1 358.574 3.132 20 0 FGADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093644492 494906501 /nfs/dbraw/zinc/90/65/01/494906501.db2.gz HJWOZGZJQIPPEC-RXVVDRJESA-N 2 1 358.574 3.132 20 0 FGADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093644492 494906507 /nfs/dbraw/zinc/90/65/07/494906507.db2.gz HJWOZGZJQIPPEC-RXVVDRJESA-N 2 1 358.574 3.132 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660203 494908153 /nfs/dbraw/zinc/90/81/53/494908153.db2.gz XAGJAMIVYZRALB-GOSISDBHSA-N 2 1 370.497 3.154 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660203 494908155 /nfs/dbraw/zinc/90/81/55/494908155.db2.gz XAGJAMIVYZRALB-GOSISDBHSA-N 2 1 370.497 3.154 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660203 494908157 /nfs/dbraw/zinc/90/81/57/494908157.db2.gz XAGJAMIVYZRALB-GOSISDBHSA-N 2 1 370.497 3.154 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000093660203 494908159 /nfs/dbraw/zinc/90/81/59/494908159.db2.gz XAGJAMIVYZRALB-GOSISDBHSA-N 2 1 370.497 3.154 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000093769455 494918369 /nfs/dbraw/zinc/91/83/69/494918369.db2.gz KDKSDCSRZUPXFQ-UHFFFAOYSA-N 2 1 350.551 3.278 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000093844301 494926873 /nfs/dbraw/zinc/92/68/73/494926873.db2.gz KQTSMLVWFRCHGS-HDICACEKSA-N 2 1 373.541 3.356 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000122277827 494950696 /nfs/dbraw/zinc/95/06/96/494950696.db2.gz ZNQKEQHFLXTTTF-FXAWDEMLSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000122277827 494950701 /nfs/dbraw/zinc/95/07/01/494950701.db2.gz ZNQKEQHFLXTTTF-FXAWDEMLSA-N 2 1 373.541 3.201 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742982 495005711 /nfs/dbraw/zinc/00/57/11/495005711.db2.gz YBKMQKMFLDKFJZ-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742982 495005715 /nfs/dbraw/zinc/00/57/15/495005715.db2.gz YBKMQKMFLDKFJZ-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742982 495005719 /nfs/dbraw/zinc/00/57/19/495005719.db2.gz YBKMQKMFLDKFJZ-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742982 495005722 /nfs/dbraw/zinc/00/57/22/495005722.db2.gz YBKMQKMFLDKFJZ-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000097257250 495029253 /nfs/dbraw/zinc/02/92/53/495029253.db2.gz YTAXEYMVUVRPSU-KRWDZBQOSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000128076357 495040386 /nfs/dbraw/zinc/04/03/86/495040386.db2.gz ORVYGNRQLVUBOV-NQIIRXRSSA-N 2 1 374.573 3.400 20 0 FGADMP CC(C)Sc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000128107182 495045607 /nfs/dbraw/zinc/04/56/07/495045607.db2.gz JGIYVYHTXIBTQJ-AEFFLSMTSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000118963210 495059351 /nfs/dbraw/zinc/05/93/51/495059351.db2.gz QQMFIDZPWDAOPK-HNAYVOBHSA-N 2 1 354.922 3.241 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC([NH2+]C4CCCC4)CC3)c2cc1C ZINC000111300651 495060416 /nfs/dbraw/zinc/06/04/16/495060416.db2.gz OLBYAEGQMKXQBV-FQEVSTJZSA-N 2 1 370.541 3.011 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)[C@@H](CO)C(C)(C)C)[C@@H](CO)C(C)(C)C ZINC000118969834 495061657 /nfs/dbraw/zinc/06/16/57/495061657.db2.gz MEHSQWONJTVOGP-PMACEKPBSA-N 2 1 364.574 3.364 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000101546996 495075278 /nfs/dbraw/zinc/07/52/78/495075278.db2.gz DHPRLFNZDRMMHD-QGZVFWFLSA-N 2 1 361.555 3.296 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000111464516 495077915 /nfs/dbraw/zinc/07/79/15/495077915.db2.gz WNCSRMNGSMFKBK-OAQYLSRUSA-N 2 1 372.557 3.133 20 0 FGADMP CN(c1ccccc1CNCC[N@@H+](C)C1CCCC1)C1CC[NH+](C)CC1 ZINC000133987962 495090618 /nfs/dbraw/zinc/09/06/18/495090618.db2.gz CBIGXBMITGFWAN-UHFFFAOYSA-N 2 1 358.574 3.181 20 0 FGADMP CN(CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C1CCCC1 ZINC000133987962 495090621 /nfs/dbraw/zinc/09/06/21/495090621.db2.gz CBIGXBMITGFWAN-UHFFFAOYSA-N 2 1 358.574 3.181 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123240189 495101862 /nfs/dbraw/zinc/10/18/62/495101862.db2.gz BHIZHBBOAYPFGC-JXFKEZNVSA-N 2 1 369.513 3.367 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134127725 495110135 /nfs/dbraw/zinc/11/01/35/495110135.db2.gz XPHNURYAVGWQGX-OAQYLSRUSA-N 2 1 358.574 3.181 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134127725 495110138 /nfs/dbraw/zinc/11/01/38/495110138.db2.gz XPHNURYAVGWQGX-OAQYLSRUSA-N 2 1 358.574 3.181 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([NH2+]C(C)C)CC2)cc1 ZINC000123309494 495112853 /nfs/dbraw/zinc/11/28/53/495112853.db2.gz BMLOIQIOUKHOIC-MRXNPFEDSA-N 2 1 369.513 3.414 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000128547906 495114571 /nfs/dbraw/zinc/11/45/71/495114571.db2.gz KRDJAMBQFLORHL-IBGZPJMESA-N 2 1 355.482 3.298 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111874813 495123947 /nfs/dbraw/zinc/12/39/47/495123947.db2.gz LHLMIZDAIFFPTI-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccccc1 ZINC000129430881 495244228 /nfs/dbraw/zinc/24/42/28/495244228.db2.gz XXLNTKHICAVMQX-GOSISDBHSA-N 2 1 367.493 3.198 20 0 FGADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000119835073 495251209 /nfs/dbraw/zinc/25/12/09/495251209.db2.gz KDQAOTLAVCUBSC-UHFFFAOYSA-N 2 1 366.571 3.044 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000124420885 495284579 /nfs/dbraw/zinc/28/45/79/495284579.db2.gz BWMIRMQHBZBLIQ-FQEVSTJZSA-N 2 1 357.542 3.380 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000124449201 495289694 /nfs/dbraw/zinc/28/96/94/495289694.db2.gz BLZGQTKVJFEOLG-GOSISDBHSA-N 3 1 369.557 3.105 20 0 FGADMP C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000113456267 495307047 /nfs/dbraw/zinc/30/70/47/495307047.db2.gz PCEVRZBLMIRGLC-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619659 495322324 /nfs/dbraw/zinc/32/23/24/495322324.db2.gz GAJQCNPKTIUNOO-RBUKOAKNSA-N 2 1 372.557 3.291 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000105083443 495335238 /nfs/dbraw/zinc/33/52/38/495335238.db2.gz CJYMSAMDDZAUPQ-CTNGQTDRSA-N 2 1 374.573 3.489 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC)C2)cc1 ZINC000105093576 495336091 /nfs/dbraw/zinc/33/60/91/495336091.db2.gz CARCCDGHNAZIML-FQEVSTJZSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000105113373 495337808 /nfs/dbraw/zinc/33/78/08/495337808.db2.gz XXBLQHRSLFDVGH-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105113125 495338062 /nfs/dbraw/zinc/33/80/62/495338062.db2.gz DNIYKRPKMGYYGT-SFHVURJKSA-N 2 1 370.541 3.051 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105113125 495338064 /nfs/dbraw/zinc/33/80/64/495338064.db2.gz DNIYKRPKMGYYGT-SFHVURJKSA-N 2 1 370.541 3.051 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124797079 495345210 /nfs/dbraw/zinc/34/52/10/495345210.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000124797079 495345214 /nfs/dbraw/zinc/34/52/14/495345214.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000124797079 495345218 /nfs/dbraw/zinc/34/52/18/495345218.db2.gz CYUJDSSJLIZFJJ-QMMLZNLJSA-N 2 1 365.537 3.155 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CC[NH+](C2CC2)CC1 ZINC000105207815 495345684 /nfs/dbraw/zinc/34/56/84/495345684.db2.gz XEQHRJUSYAJLNS-UHFFFAOYSA-N 2 1 370.541 3.052 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000114455448 495376610 /nfs/dbraw/zinc/37/66/10/495376610.db2.gz KVZDBYRWNARZQN-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2c2ccccc2Cl)CC1 ZINC000114455448 495376612 /nfs/dbraw/zinc/37/66/12/495376612.db2.gz KVZDBYRWNARZQN-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C2)CC1 ZINC000130418349 495389703 /nfs/dbraw/zinc/38/97/03/495389703.db2.gz QWICYZNVEATWRU-KRWDZBQOSA-N 2 1 372.340 3.084 20 0 FGADMP C[C@H](C(=O)N(C)C)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136960831 495413615 /nfs/dbraw/zinc/41/36/15/495413615.db2.gz YRUHIHOIPHKDOQ-CQSZACIVSA-N 2 1 371.447 3.078 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCc3cn4ccccc4n3)CC2)cc1 ZINC000130608191 495418260 /nfs/dbraw/zinc/41/82/60/495418260.db2.gz RTCZRTRXIVNGFQ-UHFFFAOYSA-N 2 1 366.484 3.313 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000130615853 495419680 /nfs/dbraw/zinc/41/96/80/495419680.db2.gz GWPOHRSBTHWGRR-UHFFFAOYSA-N 2 1 374.504 3.480 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1cccc(F)c1)C(C)(C)C ZINC000130615853 495419685 /nfs/dbraw/zinc/41/96/85/495419685.db2.gz GWPOHRSBTHWGRR-UHFFFAOYSA-N 2 1 374.504 3.480 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000137156819 495426878 /nfs/dbraw/zinc/42/68/78/495426878.db2.gz UQNYGGMLBQDKLC-UHFFFAOYSA-N 2 1 370.497 3.102 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000120691823 495436574 /nfs/dbraw/zinc/43/65/74/495436574.db2.gz VFITWXCWIHQLGN-ZNMIVQPWSA-N 2 1 358.461 3.197 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1F ZINC000120691823 495436575 /nfs/dbraw/zinc/43/65/75/495436575.db2.gz VFITWXCWIHQLGN-ZNMIVQPWSA-N 2 1 358.461 3.197 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000137641788 495447609 /nfs/dbraw/zinc/44/76/09/495447609.db2.gz JJGKTJNBUCTZCG-UONOGXRCSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000137641788 495447611 /nfs/dbraw/zinc/44/76/11/495447611.db2.gz JJGKTJNBUCTZCG-UONOGXRCSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641788 495447613 /nfs/dbraw/zinc/44/76/13/495447613.db2.gz JJGKTJNBUCTZCG-UONOGXRCSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641788 495447616 /nfs/dbraw/zinc/44/76/16/495447616.db2.gz JJGKTJNBUCTZCG-UONOGXRCSA-N 2 1 357.420 3.449 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000106388393 495450746 /nfs/dbraw/zinc/45/07/46/495450746.db2.gz NVIXTZUIWYOWSP-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000106388393 495450747 /nfs/dbraw/zinc/45/07/47/495450747.db2.gz NVIXTZUIWYOWSP-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000120759665 495452272 /nfs/dbraw/zinc/45/22/72/495452272.db2.gz NONSTYMBKUHCDD-QFIPXVFZSA-N 2 1 365.521 3.419 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000125494917 495454060 /nfs/dbraw/zinc/45/40/60/495454060.db2.gz YCDQNINNJKFTDG-UHFFFAOYSA-N 2 1 366.469 3.296 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106516760 495459584 /nfs/dbraw/zinc/45/95/84/495459584.db2.gz UGECHXCFYLMHTL-MJGOQNOKSA-N 2 1 374.529 3.123 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Br)cc1F ZINC000125874731 495511515 /nfs/dbraw/zinc/51/15/15/495511515.db2.gz KUWYTSIRESSKOC-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568951 505788229 /nfs/dbraw/zinc/78/82/29/505788229.db2.gz VLIPTCPKRFJNAJ-FQEVSTJZSA-N 2 1 351.494 3.103 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000144362727 495543843 /nfs/dbraw/zinc/54/38/43/495543843.db2.gz UFJMREJGHLRRBR-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000170689713 495566770 /nfs/dbraw/zinc/56/67/70/495566770.db2.gz ITEVEJHNLQXSJV-RTBURBONSA-N 2 1 373.541 3.063 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000176333279 495605403 /nfs/dbraw/zinc/60/54/03/495605403.db2.gz CNUGZIHGIQUBIS-HKBOAZHASA-N 2 1 370.541 3.092 20 0 FGADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1 ZINC000158909242 495613167 /nfs/dbraw/zinc/61/31/67/495613167.db2.gz KFKXQDYSVCITEH-DZFGPLHGSA-N 2 1 373.541 3.404 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182555537 495613988 /nfs/dbraw/zinc/61/39/88/495613988.db2.gz BJMBLGNECFZIRH-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555537 495613992 /nfs/dbraw/zinc/61/39/92/495613992.db2.gz BJMBLGNECFZIRH-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555537 495613994 /nfs/dbraw/zinc/61/39/94/495613994.db2.gz BJMBLGNECFZIRH-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375086 495625588 /nfs/dbraw/zinc/62/55/88/495625588.db2.gz RPBWFGKBGFXEDE-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000176375086 495625594 /nfs/dbraw/zinc/62/55/94/495625594.db2.gz RPBWFGKBGFXEDE-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccn1 ZINC000158983549 495630060 /nfs/dbraw/zinc/63/00/60/495630060.db2.gz KCZLMFAAOOKGJM-GOSISDBHSA-N 2 1 369.509 3.422 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(SC)c(OC)c2)CC1 ZINC000154520557 495641808 /nfs/dbraw/zinc/64/18/08/495641808.db2.gz OAZJKXQOIXHZCR-QGZVFWFLSA-N 2 1 365.587 3.485 20 0 FGADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846901 495654376 /nfs/dbraw/zinc/65/43/76/495654376.db2.gz MQLOGDICYPUEHH-UYAOXDASSA-N 2 1 360.542 3.142 20 0 FGADMP CC(C)(C)c1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150846901 495654380 /nfs/dbraw/zinc/65/43/80/495654380.db2.gz MQLOGDICYPUEHH-UYAOXDASSA-N 2 1 360.542 3.142 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000159122774 495664523 /nfs/dbraw/zinc/66/45/23/495664523.db2.gz JFBYRJFNUBUESL-UHFFFAOYSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(Cl)cn1 ZINC000185670511 495672991 /nfs/dbraw/zinc/67/29/91/495672991.db2.gz YFZOYMDKMZBTOP-SOUVJXGZSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(Cl)cn1 ZINC000185670511 495672996 /nfs/dbraw/zinc/67/29/96/495672996.db2.gz YFZOYMDKMZBTOP-SOUVJXGZSA-N 2 1 364.921 3.305 20 0 FGADMP CC(C)Cn1ccnc1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150988514 495703236 /nfs/dbraw/zinc/70/32/36/495703236.db2.gz IABUKBCJLYYBBW-UHFFFAOYSA-N 2 1 369.557 3.359 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150988033 495703713 /nfs/dbraw/zinc/70/37/13/495703713.db2.gz WTAMGDJCXSPKDI-UHFFFAOYSA-N 3 1 369.557 3.292 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000151009388 495710040 /nfs/dbraw/zinc/71/00/40/495710040.db2.gz NZVOHIGIAFCWNS-UMVBOHGHSA-N 2 1 360.420 3.455 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OCC(F)(F)F ZINC000151009388 495710046 /nfs/dbraw/zinc/71/00/46/495710046.db2.gz NZVOHIGIAFCWNS-UMVBOHGHSA-N 2 1 360.420 3.455 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000151108409 495740503 /nfs/dbraw/zinc/74/05/03/495740503.db2.gz PHAQXIQQUOYUNJ-ROUUACIJSA-N 2 1 356.514 3.382 20 0 FGADMP c1cc(-c2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cs2)co1 ZINC000173960601 495765086 /nfs/dbraw/zinc/76/50/86/495765086.db2.gz XVPAWODJPZKPLK-UHFFFAOYSA-N 2 1 361.511 3.480 20 0 FGADMP CC(C)CN(C(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000173976855 495771346 /nfs/dbraw/zinc/77/13/46/495771346.db2.gz SVGODOGHZWBBOW-OAQYLSRUSA-N 2 1 359.558 3.333 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000171251626 495789614 /nfs/dbraw/zinc/78/96/14/495789614.db2.gz DESWCSMRNKIGFZ-OTWHNJEPSA-N 2 1 357.542 3.071 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132624 495872583 /nfs/dbraw/zinc/87/25/83/495872583.db2.gz HLPWQAVQHNQLMJ-GLCCWIKHSA-N 2 1 350.506 3.375 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000177051142 495901657 /nfs/dbraw/zinc/90/16/57/495901657.db2.gz PNVFRLJDIVZLAH-SFHVURJKSA-N 2 1 354.922 3.024 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000177126944 495937309 /nfs/dbraw/zinc/93/73/09/495937309.db2.gz OHVASHQIHVIWIZ-CZUORRHYSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000177126944 495937316 /nfs/dbraw/zinc/93/73/16/495937316.db2.gz OHVASHQIHVIWIZ-CZUORRHYSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126944 495937318 /nfs/dbraw/zinc/93/73/18/495937318.db2.gz OHVASHQIHVIWIZ-CZUORRHYSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126944 495937323 /nfs/dbraw/zinc/93/73/23/495937323.db2.gz OHVASHQIHVIWIZ-CZUORRHYSA-N 2 1 357.420 3.449 20 0 FGADMP CN(C)C(=O)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404130 495944500 /nfs/dbraw/zinc/94/45/00/495944500.db2.gz XHBDVRVSISORSJ-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404130 495944507 /nfs/dbraw/zinc/94/45/07/495944507.db2.gz XHBDVRVSISORSJ-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174404130 495944516 /nfs/dbraw/zinc/94/45/16/495944516.db2.gz XHBDVRVSISORSJ-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174404130 495944524 /nfs/dbraw/zinc/94/45/24/495944524.db2.gz XHBDVRVSISORSJ-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000155442794 495958259 /nfs/dbraw/zinc/95/82/59/495958259.db2.gz XGHLYZOWTHRBKZ-UHFFFAOYSA-N 2 1 351.494 3.442 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000177231957 495986618 /nfs/dbraw/zinc/98/66/18/495986618.db2.gz GOPCOKRUMMXXBM-GOSISDBHSA-N 2 1 373.541 3.406 20 0 FGADMP CC(=O)c1c(C)cc(C)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000177385520 496041226 /nfs/dbraw/zinc/04/12/26/496041226.db2.gz LBJZKHJOMUJZJB-UHFFFAOYSA-N 2 1 359.558 3.272 20 0 FGADMP Cc1cccc(S(=O)(=O)CCC[NH+]2CCC(CCC[NH+](C)C)CC2)c1 ZINC000155742830 496054308 /nfs/dbraw/zinc/05/43/08/496054308.db2.gz IATKFHZFSVFSSG-UHFFFAOYSA-N 2 1 366.571 3.213 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000174711360 496072062 /nfs/dbraw/zinc/07/20/62/496072062.db2.gz WRGMENFRAPBSQR-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCCCn3cccn3)CC2)C[C@H](C)O1 ZINC000177489744 496082908 /nfs/dbraw/zinc/08/29/08/496082908.db2.gz CGOUIKPAVVFJNS-BGYRXZFFSA-N 2 1 362.562 3.265 20 0 FGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000183715914 496092092 /nfs/dbraw/zinc/09/20/92/496092092.db2.gz RSOGVLSSHVJFAA-DLBZAZTESA-N 2 1 362.514 3.117 20 0 FGADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000183715914 496092098 /nfs/dbraw/zinc/09/20/98/496092098.db2.gz RSOGVLSSHVJFAA-DLBZAZTESA-N 2 1 362.514 3.117 20 0 FGADMP CN(c1ccccc1C[NH2+]CCC[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000177559214 496110902 /nfs/dbraw/zinc/11/09/02/496110902.db2.gz MZJNLMQVQYSRKQ-UHFFFAOYSA-N 3 1 358.574 3.183 20 0 FGADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000177560473 496112714 /nfs/dbraw/zinc/11/27/14/496112714.db2.gz VAEJIKJLEXSWRK-UHFFFAOYSA-N 3 1 372.601 3.427 20 0 FGADMP Cc1ccc(-c2cc(C[N@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)on2)cc1 ZINC000174898039 496155426 /nfs/dbraw/zinc/15/54/26/496155426.db2.gz RAPOQSMLQPMGOP-FQEVSTJZSA-N 2 1 368.525 3.252 20 0 FGADMP Cc1ccc(-c2cc(C[N@@H+]3CCCC[C@H](N4CC[NH+](C)CC4)C3)on2)cc1 ZINC000174898039 496155433 /nfs/dbraw/zinc/15/54/33/496155433.db2.gz RAPOQSMLQPMGOP-FQEVSTJZSA-N 2 1 368.525 3.252 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000571848915 505827351 /nfs/dbraw/zinc/82/73/51/505827351.db2.gz VXRGKNXVPSUQJA-SFHLNBCPSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571848915 505827354 /nfs/dbraw/zinc/82/73/54/505827354.db2.gz VXRGKNXVPSUQJA-SFHLNBCPSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000571848915 505827358 /nfs/dbraw/zinc/82/73/58/505827358.db2.gz VXRGKNXVPSUQJA-SFHLNBCPSA-N 2 1 374.573 3.459 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152604918 496199853 /nfs/dbraw/zinc/19/98/53/496199853.db2.gz HHCIVHHJYNDNFI-RBUKOAKNSA-N 2 1 371.550 3.304 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152604918 496199862 /nfs/dbraw/zinc/19/98/62/496199862.db2.gz HHCIVHHJYNDNFI-RBUKOAKNSA-N 2 1 371.550 3.304 20 0 FGADMP CC1(C)Cc2cccc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)c2O1 ZINC000180994783 496233815 /nfs/dbraw/zinc/23/38/15/496233815.db2.gz RKCASAOZNNPUDE-OAQYLSRUSA-N 2 1 366.505 3.257 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H](c1ccco1)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167039 496274949 /nfs/dbraw/zinc/27/49/49/496274949.db2.gz UJYQHYPURKTOFM-MJGOQNOKSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000175167039 496274955 /nfs/dbraw/zinc/27/49/55/496274955.db2.gz UJYQHYPURKTOFM-MJGOQNOKSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167039 496274958 /nfs/dbraw/zinc/27/49/58/496274958.db2.gz UJYQHYPURKTOFM-MJGOQNOKSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC2(C[NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000184233649 496297099 /nfs/dbraw/zinc/29/70/99/496297099.db2.gz FCLZUHWALUWPDL-UYAOXDASSA-N 2 1 357.542 3.455 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000172562632 496341494 /nfs/dbraw/zinc/34/14/94/496341494.db2.gz OZAAMJXYPRDQHM-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000172562632 496341501 /nfs/dbraw/zinc/34/15/01/496341501.db2.gz OZAAMJXYPRDQHM-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172562632 496341504 /nfs/dbraw/zinc/34/15/04/496341504.db2.gz OZAAMJXYPRDQHM-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCCn1cc[nH+]c1C ZINC000187263664 496366687 /nfs/dbraw/zinc/36/66/87/496366687.db2.gz WAQOEPLXAAYDQZ-UHFFFAOYSA-N 2 1 369.918 3.209 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc4c(c3)CCO4)CC2)nc(C)[nH+]1 ZINC000178321884 496411770 /nfs/dbraw/zinc/41/17/70/496411770.db2.gz PIVYNXZUBZBRNB-OAHLLOKOSA-N 2 1 352.482 3.348 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418259 /nfs/dbraw/zinc/41/82/59/496418259.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418266 /nfs/dbraw/zinc/41/82/66/496418266.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 2 1 366.933 3.195 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000162820651 496418269 /nfs/dbraw/zinc/41/82/69/496418269.db2.gz MEJMZKUHMRWOGG-MFHCWRBVSA-N 2 1 366.933 3.195 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181518584 496430225 /nfs/dbraw/zinc/43/02/25/496430225.db2.gz LENYTBJVOQXQHQ-BDTNDASRSA-N 2 1 371.569 3.117 20 0 FGADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000175557571 496441864 /nfs/dbraw/zinc/44/18/64/496441864.db2.gz PPSPFJUXPACOBE-UHFFFAOYSA-N 2 1 372.557 3.215 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000175569844 496446191 /nfs/dbraw/zinc/44/61/91/496446191.db2.gz NQYNUFIGCJFZPZ-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000175569844 496446177 /nfs/dbraw/zinc/44/61/77/496446177.db2.gz NQYNUFIGCJFZPZ-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000175569844 496446183 /nfs/dbraw/zinc/44/61/83/496446183.db2.gz NQYNUFIGCJFZPZ-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000187458745 496450103 /nfs/dbraw/zinc/45/01/03/496450103.db2.gz OGXRMRLNRPOZIP-JOCHJYFZSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000175592354 496455080 /nfs/dbraw/zinc/45/50/80/496455080.db2.gz YPYCDJONSQXDTE-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000175592354 496455084 /nfs/dbraw/zinc/45/50/84/496455084.db2.gz YPYCDJONSQXDTE-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000175592354 496455089 /nfs/dbraw/zinc/45/50/89/496455089.db2.gz YPYCDJONSQXDTE-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000175640563 496477844 /nfs/dbraw/zinc/47/78/44/496477844.db2.gz IIXLNEVKIQAZAU-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000175640563 496477845 /nfs/dbraw/zinc/47/78/45/496477845.db2.gz IIXLNEVKIQAZAU-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](CCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000175640563 496477848 /nfs/dbraw/zinc/47/78/48/496477848.db2.gz IIXLNEVKIQAZAU-QWFCFKBJSA-N 2 1 360.546 3.021 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638711 496478243 /nfs/dbraw/zinc/47/82/43/496478243.db2.gz FFRNQGNKPPUMRO-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638711 496478247 /nfs/dbraw/zinc/47/82/47/496478247.db2.gz FFRNQGNKPPUMRO-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175638711 496478252 /nfs/dbraw/zinc/47/82/52/496478252.db2.gz FFRNQGNKPPUMRO-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000569087221 505849494 /nfs/dbraw/zinc/84/94/94/505849494.db2.gz HDXSSXAWNSEXOV-BBRMVZONSA-N 2 1 365.905 3.140 20 0 FGADMP c1cc(CNC2CC[NH+](C3CCCCC3)CC2)cc(CN2CCOCC2)c1 ZINC000163683577 496546198 /nfs/dbraw/zinc/54/61/98/496546198.db2.gz GHXSMXVEHLZLGK-UHFFFAOYSA-N 3 1 371.569 3.406 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCNc3ccccn3)CC2)cc1 ZINC000163820920 496561955 /nfs/dbraw/zinc/56/19/55/496561955.db2.gz HHUGTKIHNXAXRZ-UHFFFAOYSA-N 2 1 356.489 3.319 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000173137637 496565278 /nfs/dbraw/zinc/56/52/78/496565278.db2.gz LQVAMUGMRAEQTK-FXAWDEMLSA-N 2 1 374.529 3.028 20 0 FGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000187776996 496567468 /nfs/dbraw/zinc/56/74/68/496567468.db2.gz APGJQGGMMYPFKC-AVRDEDQJSA-N 2 1 360.542 3.450 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000178831447 496586544 /nfs/dbraw/zinc/58/65/44/496586544.db2.gz MBAHSFQCLCPHHY-PZBISTMVSA-N 2 1 351.494 3.102 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000178845264 496591197 /nfs/dbraw/zinc/59/11/97/496591197.db2.gz CFEWUFIQGMMIMZ-CEMLEFRQSA-N 2 1 371.569 3.383 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000574787592 505855935 /nfs/dbraw/zinc/85/59/35/505855935.db2.gz YTRBMXGIOOWLQI-SJORKVTESA-N 2 1 364.921 3.046 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000574787592 505855937 /nfs/dbraw/zinc/85/59/37/505855937.db2.gz YTRBMXGIOOWLQI-SJORKVTESA-N 2 1 364.921 3.046 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000153963207 496637393 /nfs/dbraw/zinc/63/73/93/496637393.db2.gz QKBSBCBDYFZWKE-KDURUIRLSA-N 2 1 363.521 3.085 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000153963207 496637398 /nfs/dbraw/zinc/63/73/98/496637398.db2.gz QKBSBCBDYFZWKE-KDURUIRLSA-N 2 1 363.521 3.085 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000165149764 496649476 /nfs/dbraw/zinc/64/94/76/496649476.db2.gz CRPLAGQHQXTCQT-MOPGFXCFSA-N 2 1 369.534 3.106 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000165149764 496649482 /nfs/dbraw/zinc/64/94/82/496649482.db2.gz CRPLAGQHQXTCQT-MOPGFXCFSA-N 2 1 369.534 3.106 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1C ZINC000173429668 496690138 /nfs/dbraw/zinc/69/01/38/496690138.db2.gz HQZKAWSZWLCEEE-RKVPGOIHSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1C ZINC000173429668 496690141 /nfs/dbraw/zinc/69/01/41/496690141.db2.gz HQZKAWSZWLCEEE-RKVPGOIHSA-N 2 1 366.937 3.067 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc(Br)cc1 ZINC000185185993 496696476 /nfs/dbraw/zinc/69/64/76/496696476.db2.gz MVBDZLGAHWISBH-UHFFFAOYSA-N 2 1 350.260 3.079 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095365 496707273 /nfs/dbraw/zinc/70/72/73/496707273.db2.gz YFLDPEVMVCKBGB-GQIGUUNPSA-N 2 1 352.482 3.467 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1(C)C ZINC000185261951 496719944 /nfs/dbraw/zinc/71/99/44/496719944.db2.gz QVMQPKHDMIKSLX-QHAWAJNXSA-N 2 1 360.542 3.325 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000182257279 496721871 /nfs/dbraw/zinc/72/18/71/496721871.db2.gz XROAAMVOYQRXNZ-YJBOKZPZSA-N 2 1 358.457 3.252 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)CCO2 ZINC000182268789 496724029 /nfs/dbraw/zinc/72/40/29/496724029.db2.gz SWAWKBLONZUAKD-KKSFZXQISA-N 2 1 352.478 3.039 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246989638 496744262 /nfs/dbraw/zinc/74/42/62/496744262.db2.gz JIMHTPSFMVLGGK-IJEWVQPXSA-N 2 1 367.921 3.304 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000194889644 496749747 /nfs/dbraw/zinc/74/97/47/496749747.db2.gz DTJJCXXDQCLKRO-QGZVFWFLSA-N 2 1 371.529 3.167 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000194889644 496749753 /nfs/dbraw/zinc/74/97/53/496749753.db2.gz DTJJCXXDQCLKRO-QGZVFWFLSA-N 2 1 371.529 3.167 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401901 496761192 /nfs/dbraw/zinc/76/11/92/496761192.db2.gz ZODASWHDMMFHJK-AWEZNQCLSA-N 2 1 357.420 3.450 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000268748882 496772755 /nfs/dbraw/zinc/77/27/55/496772755.db2.gz GUQQNHDWJYHMIC-UZLBHIALSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000268748882 496772758 /nfs/dbraw/zinc/77/27/58/496772758.db2.gz GUQQNHDWJYHMIC-UZLBHIALSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000247085853 496775151 /nfs/dbraw/zinc/77/51/51/496775151.db2.gz XFKCAMIANUQWPH-IRXDYDNUSA-N 2 1 361.555 3.294 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247100962 496778442 /nfs/dbraw/zinc/77/84/42/496778442.db2.gz XECYZVMTUFEMCX-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000268793855 496788057 /nfs/dbraw/zinc/78/80/57/496788057.db2.gz WBGLWUHVJYPQQT-IOASZLSFSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000268793855 496788058 /nfs/dbraw/zinc/78/80/58/496788058.db2.gz WBGLWUHVJYPQQT-IOASZLSFSA-N 2 1 351.288 3.489 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000247171097 496798019 /nfs/dbraw/zinc/79/80/19/496798019.db2.gz UQXPFHWQEXJQJQ-DLBZAZTESA-N 2 1 367.559 3.363 20 0 FGADMP C[NH+]1CCC(C[NH2+][C@H](c2cccs2)c2ncc[nH]2)(N2CCCCC2)CC1 ZINC000195046970 496801883 /nfs/dbraw/zinc/80/18/83/496801883.db2.gz MDIKNEHSBGCBSC-GOSISDBHSA-N 2 1 373.570 3.101 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCC1 ZINC000268856970 496805484 /nfs/dbraw/zinc/80/54/84/496805484.db2.gz LPXQUTILNDOXHF-KGLIPLIRSA-N 2 1 360.470 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094273 496820667 /nfs/dbraw/zinc/82/06/67/496820667.db2.gz BQTHYQJTSWXNNP-SFHVURJKSA-N 2 1 368.525 3.031 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000247351037 496842087 /nfs/dbraw/zinc/84/20/87/496842087.db2.gz YDNIJMUQNDPPPX-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000247351037 496842088 /nfs/dbraw/zinc/84/20/88/496842088.db2.gz YDNIJMUQNDPPPX-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000247351037 496842090 /nfs/dbraw/zinc/84/20/90/496842090.db2.gz YDNIJMUQNDPPPX-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000247429519 496857496 /nfs/dbraw/zinc/85/74/96/496857496.db2.gz LVBLBXSCXNBLMU-DNVCBOLYSA-N 2 1 364.917 3.472 20 0 FGADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000247429519 496857497 /nfs/dbraw/zinc/85/74/97/496857497.db2.gz LVBLBXSCXNBLMU-DNVCBOLYSA-N 2 1 364.917 3.472 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269067394 496862408 /nfs/dbraw/zinc/86/24/08/496862408.db2.gz LXOQDNUWQOPXJV-CFVMTHIKSA-N 2 1 360.470 3.206 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[C@H]3CCC[NH2+]3)c2c1C ZINC000572017635 505870825 /nfs/dbraw/zinc/87/08/25/505870825.db2.gz DVONYNMSYQNOAO-OAHLLOKOSA-N 2 1 359.543 3.458 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000247486057 496869945 /nfs/dbraw/zinc/86/99/45/496869945.db2.gz VFCGRGHEOCGAOW-XYJFISCASA-N 2 1 366.575 3.161 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000247540636 496884249 /nfs/dbraw/zinc/88/42/49/496884249.db2.gz QRNSCYZFTOJYIY-RBUKOAKNSA-N 2 1 360.546 3.051 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000247540636 496884257 /nfs/dbraw/zinc/88/42/57/496884257.db2.gz QRNSCYZFTOJYIY-RBUKOAKNSA-N 2 1 360.546 3.051 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCO[C@@H](c4cccs4)C3)c2cc1C ZINC000247672385 496904489 /nfs/dbraw/zinc/90/44/89/496904489.db2.gz YSGXFUFOGGCHLA-VQIMIIECSA-N 2 1 371.506 3.149 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247963796 496933420 /nfs/dbraw/zinc/93/34/20/496933420.db2.gz GNSSHKRLNBSDGV-GIVPXCGWSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247963796 496933421 /nfs/dbraw/zinc/93/34/21/496933421.db2.gz GNSSHKRLNBSDGV-GIVPXCGWSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247963796 496933422 /nfs/dbraw/zinc/93/34/22/496933422.db2.gz GNSSHKRLNBSDGV-GIVPXCGWSA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247963796 496933423 /nfs/dbraw/zinc/93/34/23/496933423.db2.gz GNSSHKRLNBSDGV-GIVPXCGWSA-N 2 1 357.542 3.228 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000247959964 496933624 /nfs/dbraw/zinc/93/36/24/496933624.db2.gz GDFMYPHDRIQCJZ-MAUKXSAKSA-N 2 1 372.431 3.399 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982199 496938739 /nfs/dbraw/zinc/93/87/39/496938739.db2.gz ILXCTYRNMXNZBL-TZIWHRDSSA-N 2 1 367.493 3.126 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982199 496938744 /nfs/dbraw/zinc/93/87/44/496938744.db2.gz ILXCTYRNMXNZBL-TZIWHRDSSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982199 496938747 /nfs/dbraw/zinc/93/87/47/496938747.db2.gz ILXCTYRNMXNZBL-TZIWHRDSSA-N 2 1 367.493 3.126 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(C(=O)NCc4ccco4)c3)CC[C@H]21 ZINC000247982199 496938753 /nfs/dbraw/zinc/93/87/53/496938753.db2.gz ILXCTYRNMXNZBL-TZIWHRDSSA-N 2 1 367.493 3.126 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248067728 496951800 /nfs/dbraw/zinc/95/18/00/496951800.db2.gz ZTRFOSMFCXLYAN-SJORKVTESA-N 2 1 367.559 3.363 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1Br ZINC000248124298 496957580 /nfs/dbraw/zinc/95/75/80/496957580.db2.gz NSUDCBXWKSVZHC-GJZGRUSLSA-N 2 1 355.320 3.337 20 0 FGADMP CCCCCOc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000216162804 496986523 /nfs/dbraw/zinc/98/65/23/496986523.db2.gz PKISIMBBKYLDSE-UHFFFAOYSA-N 2 1 359.558 3.469 20 0 FGADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678367 496988654 /nfs/dbraw/zinc/98/86/54/496988654.db2.gz ZGLMWPORJZTJNM-UTKZUKDTSA-N 2 1 370.541 3.130 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000216447721 496988974 /nfs/dbraw/zinc/98/89/74/496988974.db2.gz UCEPHGUMOHPZDI-NRFANRHFSA-N 2 1 353.510 3.316 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000264842135 496996381 /nfs/dbraw/zinc/99/63/81/496996381.db2.gz AWMKUTFCWAVTCS-OAQYLSRUSA-N 2 1 357.542 3.089 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1)c1ccccc1 ZINC000248404504 496998020 /nfs/dbraw/zinc/99/80/20/496998020.db2.gz QEYZKFXXAQITJZ-CUWPLCDZSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248404504 496998024 /nfs/dbraw/zinc/99/80/24/496998024.db2.gz QEYZKFXXAQITJZ-CUWPLCDZSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248404504 496998028 /nfs/dbraw/zinc/99/80/28/496998028.db2.gz QEYZKFXXAQITJZ-CUWPLCDZSA-N 2 1 357.542 3.449 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248407220 496999070 /nfs/dbraw/zinc/99/90/70/496999070.db2.gz UDFWIQALGNLCOQ-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000248407220 496999073 /nfs/dbraw/zinc/99/90/73/496999073.db2.gz UDFWIQALGNLCOQ-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000248407220 496999078 /nfs/dbraw/zinc/99/90/78/496999078.db2.gz UDFWIQALGNLCOQ-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000572056700 505879652 /nfs/dbraw/zinc/87/96/52/505879652.db2.gz YEYCXNQXGZXORL-INIZCTEOSA-N 2 1 363.933 3.010 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000264974910 497022674 /nfs/dbraw/zinc/02/26/74/497022674.db2.gz DKEUSINXSZKHNZ-INIZCTEOSA-N 2 1 357.502 3.010 20 0 FGADMP FC(F)(F)Oc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c1 ZINC000269973190 497034866 /nfs/dbraw/zinc/03/48/66/497034866.db2.gz OUZNOCZXTHIANO-OWCLPIDISA-N 2 1 369.431 3.380 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cccc(Cn2ccnc2)c1 ZINC000274232901 497046933 /nfs/dbraw/zinc/04/69/33/497046933.db2.gz VIKMXVVBSFSYSE-PGRDOPGGSA-N 2 1 374.488 3.182 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000248618187 497058858 /nfs/dbraw/zinc/05/88/58/497058858.db2.gz LCUBXFOVZROSRL-YOEHRIQHSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(Br)c2)[C@@H](C)C1 ZINC000248618187 497058864 /nfs/dbraw/zinc/05/88/64/497058864.db2.gz LCUBXFOVZROSRL-YOEHRIQHSA-N 2 1 370.335 3.071 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248645691 497070485 /nfs/dbraw/zinc/07/04/85/497070485.db2.gz GRZWYACZLACAFY-WRTQPQOASA-N 2 1 356.510 3.218 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000278334764 497078538 /nfs/dbraw/zinc/07/85/38/497078538.db2.gz ZQGQYHJQLQNQPJ-GOSISDBHSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000278334764 497078541 /nfs/dbraw/zinc/07/85/41/497078541.db2.gz ZQGQYHJQLQNQPJ-GOSISDBHSA-N 2 1 374.529 3.063 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248755622 497099069 /nfs/dbraw/zinc/09/90/69/497099069.db2.gz PKMFIHYYVIYGCJ-IFMALSPDSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248755622 497099077 /nfs/dbraw/zinc/09/90/77/497099077.db2.gz PKMFIHYYVIYGCJ-IFMALSPDSA-N 2 1 365.521 3.318 20 0 FGADMP C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3ccc(C[NH+]4CCCC4)cc3)n1)OC2 ZINC000578200226 505885169 /nfs/dbraw/zinc/88/51/69/505885169.db2.gz LADQFUNPOAICBC-WIYYLYMNSA-N 2 1 368.481 3.258 20 0 FGADMP COc1cccc2c1CC[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)C2 ZINC000192444271 497116683 /nfs/dbraw/zinc/11/66/83/497116683.db2.gz JPNFMFIITNCGKW-LJQANCHMSA-N 2 1 366.509 3.218 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCO1 ZINC000278516234 497140818 /nfs/dbraw/zinc/14/08/18/497140818.db2.gz MMSCILAQVHWDGF-MRXNPFEDSA-N 2 1 367.484 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCO1 ZINC000278516234 497140822 /nfs/dbraw/zinc/14/08/22/497140822.db2.gz MMSCILAQVHWDGF-MRXNPFEDSA-N 2 1 367.484 3.024 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000236856355 497158411 /nfs/dbraw/zinc/15/84/11/497158411.db2.gz WVKZYXFXQUMTRK-WMZOPIPTSA-N 2 1 371.447 3.075 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1F ZINC000278612405 497167564 /nfs/dbraw/zinc/16/75/64/497167564.db2.gz DALPGHXBJCBSNW-FQEVSTJZSA-N 2 1 372.484 3.471 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000249379263 497196193 /nfs/dbraw/zinc/19/61/93/497196193.db2.gz OKLKXVMMDSEPOW-CHWSQXEVSA-N 2 1 358.267 3.284 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1F ZINC000278741860 497205968 /nfs/dbraw/zinc/20/59/68/497205968.db2.gz MNKUZULOZGIQOW-IBGZPJMESA-N 2 1 358.457 3.081 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192789747 497215281 /nfs/dbraw/zinc/21/52/81/497215281.db2.gz WAGUJGNMMJRHTG-IBGZPJMESA-N 3 1 369.557 3.247 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000266014602 497232049 /nfs/dbraw/zinc/23/20/49/497232049.db2.gz UJSBQLHMCRVREE-RXVVDRJESA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000249763083 497244122 /nfs/dbraw/zinc/24/41/22/497244122.db2.gz OASFBQNQCQYBRG-LAUBAEHRSA-N 2 1 351.494 3.377 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000249763083 497244128 /nfs/dbraw/zinc/24/41/28/497244128.db2.gz OASFBQNQCQYBRG-LAUBAEHRSA-N 2 1 351.494 3.377 20 0 FGADMP COCCOc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192931733 497250414 /nfs/dbraw/zinc/25/04/14/497250414.db2.gz FMGXZZYCTPQNDA-OAQYLSRUSA-N 2 1 354.494 3.324 20 0 FGADMP COCCOc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000192931722 497250991 /nfs/dbraw/zinc/25/09/91/497250991.db2.gz FMGXZZYCTPQNDA-NRFANRHFSA-N 2 1 354.494 3.324 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237528021 497251086 /nfs/dbraw/zinc/25/10/86/497251086.db2.gz RTCSPBHOJPFWLJ-PXNSSMCTSA-N 2 1 355.526 3.067 20 0 FGADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000237538734 497252753 /nfs/dbraw/zinc/25/27/53/497252753.db2.gz TVEAYVFCEFSYAY-MAUKXSAKSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000237538734 497252757 /nfs/dbraw/zinc/25/27/57/497252757.db2.gz TVEAYVFCEFSYAY-MAUKXSAKSA-N 2 1 357.523 3.091 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000249971984 497259487 /nfs/dbraw/zinc/25/94/87/497259487.db2.gz PAUVPSKXOCDSDH-SFTDATJTSA-N 2 1 374.573 3.441 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000249971984 497259493 /nfs/dbraw/zinc/25/94/93/497259493.db2.gz PAUVPSKXOCDSDH-SFTDATJTSA-N 2 1 374.573 3.441 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000250639308 497267735 /nfs/dbraw/zinc/26/77/35/497267735.db2.gz CKIUYNFUQPOWFU-FCHUYYIVSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000250639308 497267740 /nfs/dbraw/zinc/26/77/40/497267740.db2.gz CKIUYNFUQPOWFU-FCHUYYIVSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000250639308 497267743 /nfs/dbraw/zinc/26/77/43/497267743.db2.gz CKIUYNFUQPOWFU-FCHUYYIVSA-N 2 1 363.505 3.042 20 0 FGADMP CC[C@]1(CO)CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@]1(CC)CO ZINC000252003457 497293753 /nfs/dbraw/zinc/29/37/53/497293753.db2.gz WVEGMRVDPPONDS-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CCCC1 ZINC000237895545 497309401 /nfs/dbraw/zinc/30/94/01/497309401.db2.gz WJVZXIGRHDEDSF-GOSISDBHSA-N 2 1 369.534 3.235 20 0 FGADMP [NH3+]C1(C(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CCCC1 ZINC000237895545 497309406 /nfs/dbraw/zinc/30/94/06/497309406.db2.gz WJVZXIGRHDEDSF-GOSISDBHSA-N 2 1 369.534 3.235 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193155451 497313905 /nfs/dbraw/zinc/31/39/05/497313905.db2.gz OWNZYXRKGKWIPD-DLBZAZTESA-N 2 1 361.511 3.261 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCNc3ccccc32)C1 ZINC000193277503 497339546 /nfs/dbraw/zinc/33/95/46/497339546.db2.gz CRVOGKNFAADTKN-SIKLNZKXSA-N 2 1 351.494 3.290 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)c(OCC)c2)[C@H](C)C1 ZINC000271455732 497353960 /nfs/dbraw/zinc/35/39/60/497353960.db2.gz JEISOAWYHUSSBI-SJLPKXTDSA-N 2 1 350.503 3.018 20 0 FGADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000275539319 497357975 /nfs/dbraw/zinc/35/79/75/497357975.db2.gz ZVBQPPOILHYVTM-SFHVURJKSA-N 2 1 356.470 3.114 20 0 FGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271476111 497358679 /nfs/dbraw/zinc/35/86/79/497358679.db2.gz IBGAVNRACAJMKI-VHSSKADRSA-N 2 1 352.906 3.377 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000575001219 505902151 /nfs/dbraw/zinc/90/21/51/505902151.db2.gz APUXJLGNUGCMLF-HSZRJFAPSA-N 2 1 365.521 3.185 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261609906 497418506 /nfs/dbraw/zinc/41/85/06/497418506.db2.gz BUOAKXKIJNIQKE-UGKGYDQZSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261609906 497418510 /nfs/dbraw/zinc/41/85/10/497418510.db2.gz BUOAKXKIJNIQKE-UGKGYDQZSA-N 2 1 357.542 3.318 20 0 FGADMP [NH3+]CC1(Cc2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)CCCCC1 ZINC000261610265 497418921 /nfs/dbraw/zinc/41/89/21/497418921.db2.gz ASKVXAHEGLSALY-UHFFFAOYSA-N 2 1 370.497 3.021 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000245624610 497479119 /nfs/dbraw/zinc/47/91/19/497479119.db2.gz GETFGFPMCCWDBW-LEWJYISDSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000262004197 497491189 /nfs/dbraw/zinc/49/11/89/497491189.db2.gz QDOOMHQRJHEUNV-ZOCIIQOWSA-N 2 1 357.885 3.149 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245680738 497499280 /nfs/dbraw/zinc/49/92/80/497499280.db2.gz IUFROUYUABRAKG-YUMYIRISSA-N 3 1 359.558 3.128 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245680738 497499285 /nfs/dbraw/zinc/49/92/85/497499285.db2.gz IUFROUYUABRAKG-YUMYIRISSA-N 2 1 359.558 3.128 20 0 FGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262117916 497510462 /nfs/dbraw/zinc/51/04/62/497510462.db2.gz BRWAOLHPEJPGAE-AYOQOUSVSA-N 2 1 363.933 3.371 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000262139299 497514876 /nfs/dbraw/zinc/51/48/76/497514876.db2.gz LQFJOUKNDVQILU-XMSQKQJNSA-N 2 1 365.521 3.247 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)CC[C@@H]21 ZINC000245723840 497516463 /nfs/dbraw/zinc/51/64/63/497516463.db2.gz BDBXLWWWOQRKHK-BVGQSLNGSA-N 2 1 365.880 3.001 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000193911645 497517345 /nfs/dbraw/zinc/51/73/45/497517345.db2.gz AWDPSTNPDODFGL-IBGZPJMESA-N 2 1 359.901 3.434 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262314307 497538916 /nfs/dbraw/zinc/53/89/16/497538916.db2.gz DENQMDKQRDZIDV-JTHBVZDNSA-N 2 1 369.553 3.137 20 0 FGADMP C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307498 497541062 /nfs/dbraw/zinc/54/10/62/497541062.db2.gz YCHANNRWTKALRP-GDBMZVCRSA-N 2 1 362.411 3.404 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245836555 497546010 /nfs/dbraw/zinc/54/60/10/497546010.db2.gz HDDABOVDQSCIMS-CVEARBPZSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245836555 497546016 /nfs/dbraw/zinc/54/60/16/497546016.db2.gz HDDABOVDQSCIMS-CVEARBPZSA-N 2 1 351.454 3.486 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000262397690 497549011 /nfs/dbraw/zinc/54/90/11/497549011.db2.gz NPXKDHXMPWMTRP-RDGPPVDQSA-N 2 1 357.542 3.169 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)cs1 ZINC000194035830 497554099 /nfs/dbraw/zinc/55/40/99/497554099.db2.gz JPYDWCMIJOTVCO-GXTWGEPZSA-N 2 1 361.349 3.398 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@@H]1c1cccs1 ZINC000262447536 497558391 /nfs/dbraw/zinc/55/83/91/497558391.db2.gz VMJBUKNRWFTSIM-JSFADZTLSA-N 2 1 361.555 3.027 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)C1 ZINC000245901599 497564498 /nfs/dbraw/zinc/56/44/98/497564498.db2.gz DSOVUVYXQCGSSL-QRVBRYPASA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000245901599 497564504 /nfs/dbraw/zinc/56/45/04/497564504.db2.gz DSOVUVYXQCGSSL-QRVBRYPASA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)C1 ZINC000245901599 497564508 /nfs/dbraw/zinc/56/45/08/497564508.db2.gz DSOVUVYXQCGSSL-QRVBRYPASA-N 2 1 364.578 3.013 20 0 FGADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@H]2CCCOC2)cc1)C[C@@H]1CCCOC1 ZINC000245922784 497572326 /nfs/dbraw/zinc/57/23/26/497572326.db2.gz MTWWFCJCTMITPD-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)C[C@@H]2CCCOC2)cc1)C[C@H]1CCCOC1 ZINC000245922784 497572330 /nfs/dbraw/zinc/57/23/30/497572330.db2.gz MTWWFCJCTMITPD-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1)C[C@H]1CCCOC1 ZINC000245922784 497572334 /nfs/dbraw/zinc/57/23/34/497572334.db2.gz MTWWFCJCTMITPD-SZPZYZBQSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000276453230 497577725 /nfs/dbraw/zinc/57/77/25/497577725.db2.gz LXJFZBUIBZDMHA-NHCUHLMSSA-N 2 1 366.509 3.358 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272265303 497581402 /nfs/dbraw/zinc/58/14/02/497581402.db2.gz NBXLRXBIJGWRGO-UYAOXDASSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000262641543 497589725 /nfs/dbraw/zinc/58/97/25/497589725.db2.gz KXIMRWICJQOTDE-PABYOWBDSA-N 2 1 371.569 3.285 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262648877 497590577 /nfs/dbraw/zinc/59/05/77/497590577.db2.gz PSTHZMKRKNKTOS-OSZJIOELSA-N 2 1 365.521 3.492 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245987822 497590832 /nfs/dbraw/zinc/59/08/32/497590832.db2.gz WKVDBMAGPKFOPU-QFBILLFUSA-N 2 1 370.497 3.101 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245987822 497590837 /nfs/dbraw/zinc/59/08/37/497590837.db2.gz WKVDBMAGPKFOPU-QFBILLFUSA-N 2 1 370.497 3.101 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262665400 497594071 /nfs/dbraw/zinc/59/40/71/497594071.db2.gz JJGKGOVOHFWPNB-FKSWHDMKSA-N 2 1 367.537 3.219 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@H](C)O1 ZINC000246030503 497599807 /nfs/dbraw/zinc/59/98/07/497599807.db2.gz WAPVYFFJQALLOD-LLGFUMIMSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@H](C(=O)NCC(F)(F)F)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246030541 497599907 /nfs/dbraw/zinc/59/99/07/497599907.db2.gz NOIBBHNIMBJWPQ-HUUCEWRRSA-N 2 1 363.468 3.030 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246152859 497640244 /nfs/dbraw/zinc/64/02/44/497640244.db2.gz DBOAHMRDMABLDC-BPQIPLTHSA-N 2 1 366.575 3.113 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272495181 497644213 /nfs/dbraw/zinc/64/42/13/497644213.db2.gz CYOXNZRMOFKKIH-MSOLQXFVSA-N 2 1 356.470 3.492 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCSC)c1 ZINC000272509980 497646968 /nfs/dbraw/zinc/64/69/68/497646968.db2.gz XEKBZFKNRDHHIK-SFHVURJKSA-N 2 1 351.560 3.005 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1C[NH+](C)C ZINC000268004762 497657041 /nfs/dbraw/zinc/65/70/41/497657041.db2.gz DZSAHRJFUSMDTE-GOSISDBHSA-N 2 1 371.550 3.404 20 0 FGADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000194434072 497665988 /nfs/dbraw/zinc/66/59/88/497665988.db2.gz HHVUCOPQBXTEEM-AVRDEDQJSA-N 2 1 365.521 3.277 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cn(C(C)(C)C)nn2)cc1 ZINC000276936878 497692499 /nfs/dbraw/zinc/69/24/99/497692499.db2.gz FJOQACKLKJHSTF-UHFFFAOYSA-N 2 1 359.518 3.044 20 0 FGADMP Brc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000268195612 497698327 /nfs/dbraw/zinc/69/83/27/497698327.db2.gz YDMNMPRTMYPQIP-MRXNPFEDSA-N 2 1 364.331 3.244 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000246360716 497707189 /nfs/dbraw/zinc/70/71/89/497707189.db2.gz KTIBIDBFAHTEHW-QYZOEREBSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)COc2ccccc2F)C1 ZINC000246360716 497707193 /nfs/dbraw/zinc/70/71/93/497707193.db2.gz KTIBIDBFAHTEHW-QYZOEREBSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000246360716 497707201 /nfs/dbraw/zinc/70/72/01/497707201.db2.gz KTIBIDBFAHTEHW-QYZOEREBSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2F)C1 ZINC000246360716 497707204 /nfs/dbraw/zinc/70/72/04/497707204.db2.gz KTIBIDBFAHTEHW-QYZOEREBSA-N 2 1 364.505 3.152 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccsc1 ZINC000272705719 497708060 /nfs/dbraw/zinc/70/80/60/497708060.db2.gz GMUJLTCWMLYYCA-QAPCUYQASA-N 2 1 364.559 3.081 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246384194 497716251 /nfs/dbraw/zinc/71/62/51/497716251.db2.gz KHBHYXKJAJPMFV-SJORKVTESA-N 2 1 367.559 3.077 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CC[C@@H]3CC[NH2+]C3)C4)n2)cc1 ZINC000581181901 505928320 /nfs/dbraw/zinc/92/83/20/505928320.db2.gz WFNGYWDOSPPZQP-YRISNDGFSA-N 2 1 352.482 3.090 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000263263621 497745030 /nfs/dbraw/zinc/74/50/30/497745030.db2.gz GVKBUPPPUAPQCX-QGZVFWFLSA-N 2 1 371.456 3.014 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246481267 497748902 /nfs/dbraw/zinc/74/89/02/497748902.db2.gz GOSHYJHOUWUQSH-RCZSKKKRSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246481267 497748904 /nfs/dbraw/zinc/74/89/04/497748904.db2.gz GOSHYJHOUWUQSH-RCZSKKKRSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246481267 497748906 /nfs/dbraw/zinc/74/89/06/497748906.db2.gz GOSHYJHOUWUQSH-RCZSKKKRSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1cc(C)c(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(C)c1 ZINC000246506752 497757159 /nfs/dbraw/zinc/75/71/59/497757159.db2.gz HZOHTDBJMJRVQM-ICSRJNTNSA-N 2 1 355.526 3.499 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465997 497757989 /nfs/dbraw/zinc/75/79/89/497757989.db2.gz LSIDIBOFIRHUAF-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465997 497757992 /nfs/dbraw/zinc/75/79/92/497757992.db2.gz LSIDIBOFIRHUAF-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465997 497757994 /nfs/dbraw/zinc/75/79/94/497757994.db2.gz LSIDIBOFIRHUAF-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(C(=O)CCc2ccccc2)CC1 ZINC000268465997 497757997 /nfs/dbraw/zinc/75/79/97/497757997.db2.gz LSIDIBOFIRHUAF-NRFANRHFSA-N 2 1 357.542 3.028 20 0 FGADMP O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N[C@H](c1ccccc1)C1CC1 ZINC000246535769 497766607 /nfs/dbraw/zinc/76/66/07/497766607.db2.gz JPSRYXLQTQMTEF-XKCSPQBFSA-N 2 1 367.537 3.203 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nccn3-c3ccccc3)CC2)C[C@@H](C)O1 ZINC000191281631 497767967 /nfs/dbraw/zinc/76/79/67/497767967.db2.gz LVFXYLGNVLIYBL-RTBURBONSA-N 2 1 368.525 3.194 20 0 FGADMP Cc1cc(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000569417681 505928998 /nfs/dbraw/zinc/92/89/98/505928998.db2.gz YLZIBMUNPDBDOC-HDICACEKSA-N 2 1 373.545 3.052 20 0 FGADMP Cc1cc(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000569417681 505929000 /nfs/dbraw/zinc/92/90/00/505929000.db2.gz YLZIBMUNPDBDOC-HDICACEKSA-N 2 1 373.545 3.052 20 0 FGADMP NC(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246774171 497809915 /nfs/dbraw/zinc/80/99/15/497809915.db2.gz IEQBPRDSGZEZSJ-VSKRKVRLSA-N 2 1 363.505 3.200 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246810507 497812738 /nfs/dbraw/zinc/81/27/38/497812738.db2.gz ADTNQFWFJZPMIG-REWPJTCUSA-N 3 1 373.585 3.378 20 0 FGADMP CCN1CC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246810507 497812739 /nfs/dbraw/zinc/81/27/39/497812739.db2.gz ADTNQFWFJZPMIG-REWPJTCUSA-N 2 1 373.585 3.378 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1C ZINC000246873980 497818056 /nfs/dbraw/zinc/81/80/56/497818056.db2.gz QEPAVTBGQSNNJQ-KSEOMHKRSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1C ZINC000246873980 497818057 /nfs/dbraw/zinc/81/80/57/497818057.db2.gz QEPAVTBGQSNNJQ-KSEOMHKRSA-N 2 1 372.553 3.300 20 0 FGADMP Cc1ccc(C)c(OC[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1C ZINC000246873980 497818058 /nfs/dbraw/zinc/81/80/58/497818058.db2.gz QEPAVTBGQSNNJQ-KSEOMHKRSA-N 2 1 372.553 3.300 20 0 FGADMP C[C@@H]1CCc2ccccc2N1C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246877629 497818237 /nfs/dbraw/zinc/81/82/37/497818237.db2.gz QJRKSHDUODNYSV-LMNJBCLMSA-N 2 1 367.537 3.303 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000246918933 497820316 /nfs/dbraw/zinc/82/03/16/497820316.db2.gz GPKRMQJBXLKKHC-IAGOWNOFSA-N 2 1 367.559 3.221 20 0 FGADMP CC(C)(C[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000295839875 497826665 /nfs/dbraw/zinc/82/66/65/497826665.db2.gz AKJBFRAXNMUPAQ-HXUWFJFHSA-N 2 1 371.569 3.307 20 0 FGADMP CC(C)(C[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1)C(N)=O ZINC000295839875 497826672 /nfs/dbraw/zinc/82/66/72/497826672.db2.gz AKJBFRAXNMUPAQ-HXUWFJFHSA-N 2 1 371.569 3.307 20 0 FGADMP Cc1cn2c(n1)CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000364242261 497858334 /nfs/dbraw/zinc/85/83/34/497858334.db2.gz GNECIWDUYIEPCB-MXEMCNAFSA-N 2 1 350.510 3.292 20 0 FGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000569452769 505939427 /nfs/dbraw/zinc/93/94/27/505939427.db2.gz QVPRCIXSNYFZHA-SFTDATJTSA-N 2 1 365.521 3.493 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1C ZINC000280813127 497907986 /nfs/dbraw/zinc/90/79/86/497907986.db2.gz IHTHUBXBHBAHEC-HZEGPAAWSA-N 2 1 358.526 3.118 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301182812 497988019 /nfs/dbraw/zinc/98/80/19/497988019.db2.gz IPFZSRCMJPVBRJ-KRWDZBQOSA-N 2 1 358.917 3.495 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301182812 497988024 /nfs/dbraw/zinc/98/80/24/497988024.db2.gz IPFZSRCMJPVBRJ-KRWDZBQOSA-N 2 1 358.917 3.495 20 0 FGADMP Cc1ccncc1CCC[N@H+]1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000289060911 497998056 /nfs/dbraw/zinc/99/80/56/497998056.db2.gz JBBCDRRLYQLLNI-UHFFFAOYSA-N 2 1 355.457 3.310 20 0 FGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000285358775 498062499 /nfs/dbraw/zinc/06/24/99/498062499.db2.gz VOAAOCFEJOJSQH-NQIIRXRSSA-N 2 1 352.478 3.126 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000364643538 498064908 /nfs/dbraw/zinc/06/49/08/498064908.db2.gz GELXJTUGXIYPRM-IAGOWNOFSA-N 2 1 361.555 3.360 20 0 FGADMP Cc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301372592 498078505 /nfs/dbraw/zinc/07/85/05/498078505.db2.gz UOFJVRQSALYXMS-AWEZNQCLSA-N 2 1 364.440 3.192 20 0 FGADMP COCCOCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262376 498083590 /nfs/dbraw/zinc/08/35/90/498083590.db2.gz MUPIFWMUHCXNFB-IRLDBZIGSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262376 498083597 /nfs/dbraw/zinc/08/35/97/498083597.db2.gz MUPIFWMUHCXNFB-IRLDBZIGSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262376 498083608 /nfs/dbraw/zinc/08/36/08/498083608.db2.gz MUPIFWMUHCXNFB-IRLDBZIGSA-N 2 1 358.526 3.298 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000581387008 505976538 /nfs/dbraw/zinc/97/65/38/505976538.db2.gz ZAAOJZUXBRTFOQ-JOCHJYFZSA-N 2 1 365.521 3.185 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000364767643 498134477 /nfs/dbraw/zinc/13/44/77/498134477.db2.gz BOSMWSVQTVGLSK-UIFIKXQLSA-N 2 1 370.541 3.138 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281424326 498145765 /nfs/dbraw/zinc/14/57/65/498145765.db2.gz BXYQMXXQISXRQW-VXKWHMMOSA-N 2 1 369.484 3.418 20 0 FGADMP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364883736 498190498 /nfs/dbraw/zinc/19/04/98/498190498.db2.gz VEPYRRQLCYVDBW-LJQANCHMSA-N 2 1 371.569 3.445 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CC[N@@H+](C)C3)c2)CC1 ZINC000296808722 498204883 /nfs/dbraw/zinc/20/48/83/498204883.db2.gz INWNKTHTUASLAO-LJQANCHMSA-N 2 1 358.530 3.034 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1C ZINC000572590826 506005673 /nfs/dbraw/zinc/00/56/73/506005673.db2.gz OTOHJRXWMIRKFL-WOJBJXKFSA-N 2 1 360.542 3.394 20 0 FGADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc(OC)c1OCC(F)F ZINC000289776870 498288653 /nfs/dbraw/zinc/28/86/53/498288653.db2.gz PRCJPBJUTAEYPW-LSDHHAIUSA-N 2 1 372.456 3.310 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000365082315 498289101 /nfs/dbraw/zinc/28/91/01/498289101.db2.gz JVAWZHHRTZUXHN-WCQYABFASA-N 2 1 367.280 3.430 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000578725709 506006397 /nfs/dbraw/zinc/00/63/97/506006397.db2.gz QUQUNOBIHXVNQA-BFGFKNPTSA-N 2 1 355.526 3.063 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007353 498355003 /nfs/dbraw/zinc/35/50/03/498355003.db2.gz VRYQNRRKISXXSS-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282018321 498360032 /nfs/dbraw/zinc/36/00/32/498360032.db2.gz NHWUYNKABSUVDH-LBPRGKRZSA-N 2 1 365.503 3.421 20 0 FGADMP Fc1ccc(-n2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811128 506021418 /nfs/dbraw/zinc/02/14/18/506021418.db2.gz LSLWCROXENFFBA-IRXDYDNUSA-N 2 1 368.500 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000575897662 506028470 /nfs/dbraw/zinc/02/84/70/506028470.db2.gz CQARHLHAXVCNIE-GCJKJVERSA-N 2 1 372.557 3.250 20 0 FGADMP COCC[C@@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]C1 ZINC000361717339 498423320 /nfs/dbraw/zinc/42/33/20/498423320.db2.gz DEVSWFMLZVSWAI-UTKZUKDTSA-N 2 1 359.514 3.016 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000361730578 498423759 /nfs/dbraw/zinc/42/37/59/498423759.db2.gz YMYJKHVFOZLKNP-QUCCMNQESA-N 2 1 357.542 3.041 20 0 FGADMP CC[NH+]1CCC(N(C(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)C2CC2)CC1 ZINC000365390459 498438847 /nfs/dbraw/zinc/43/88/47/498438847.db2.gz BSVJLTJKIKBQJR-UHFFFAOYSA-N 2 1 370.541 3.082 20 0 FGADMP Cc1c(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc12 ZINC000575923547 506034137 /nfs/dbraw/zinc/03/41/37/506034137.db2.gz VQEMXVYNXDNEJR-HNNXBMFYSA-N 2 1 359.901 3.384 20 0 FGADMP Cc1c(Cl)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc12 ZINC000575923547 506034140 /nfs/dbraw/zinc/03/41/40/506034140.db2.gz VQEMXVYNXDNEJR-HNNXBMFYSA-N 2 1 359.901 3.384 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)cnn1C(C)C ZINC000290203929 498462602 /nfs/dbraw/zinc/46/26/02/498462602.db2.gz GWRLOBRXWKROQV-INIZCTEOSA-N 2 1 359.518 3.349 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1C[NH+](C)C ZINC000365485972 498492542 /nfs/dbraw/zinc/49/25/42/498492542.db2.gz OUKXBEBMJCINDU-HXUWFJFHSA-N 2 1 365.521 3.342 20 0 FGADMP Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000575963330 506043374 /nfs/dbraw/zinc/04/33/74/506043374.db2.gz QFMVHWXZXOXYKX-UHFFFAOYSA-N 2 1 359.380 3.194 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000581681331 506043679 /nfs/dbraw/zinc/04/36/79/506043679.db2.gz KSKPQHNIMRYIBG-FKBYEOEOSA-N 2 1 372.553 3.320 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000297615300 498512287 /nfs/dbraw/zinc/51/22/87/498512287.db2.gz BGZRDBUHCVKROG-UHFFFAOYSA-N 2 1 364.534 3.009 20 0 FGADMP Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000578895420 506046355 /nfs/dbraw/zinc/04/63/55/506046355.db2.gz STYQQXZPHHNNFG-QGZVFWFLSA-N 2 1 358.555 3.325 20 0 FGADMP c1nc2cnccn2c1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293868140 498516882 /nfs/dbraw/zinc/51/68/82/498516882.db2.gz ITERVLUHYXUKPE-UHFFFAOYSA-N 2 1 361.493 3.217 20 0 FGADMP COCCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000282473363 498526266 /nfs/dbraw/zinc/52/62/66/498526266.db2.gz WLXMWZQAJXOMHX-UXHICEINSA-N 2 1 352.494 3.120 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369255 498526545 /nfs/dbraw/zinc/52/65/45/498526545.db2.gz NGAJGWOGELXGFG-DOTOQJQBSA-N 2 1 373.522 3.189 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(CS(C)(=O)=O)CC2)c1 ZINC000293898116 498526784 /nfs/dbraw/zinc/52/67/84/498526784.db2.gz WHFKXMKJTWGRTF-UHFFFAOYSA-N 2 1 366.571 3.220 20 0 FGADMP C[NH+]1CCC(CNc2ncnc3c(F)cccc23)([NH+]2CCCCC2)CC1 ZINC000302696430 498535414 /nfs/dbraw/zinc/53/54/14/498535414.db2.gz SXHSYXAKSPZNQH-UHFFFAOYSA-N 2 1 357.477 3.131 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000572775513 506049456 /nfs/dbraw/zinc/04/94/56/506049456.db2.gz NEWAHJBFTLRDPW-XSLAUPDRSA-N 2 1 372.557 3.210 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000572775513 506049461 /nfs/dbraw/zinc/04/94/61/506049461.db2.gz NEWAHJBFTLRDPW-XSLAUPDRSA-N 2 1 372.557 3.210 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000572775513 506049463 /nfs/dbraw/zinc/04/94/63/506049463.db2.gz NEWAHJBFTLRDPW-XSLAUPDRSA-N 2 1 372.557 3.210 20 0 FGADMP CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000365614362 498559099 /nfs/dbraw/zinc/55/90/99/498559099.db2.gz GJIPEUCAZRJLKQ-QFIPXVFZSA-N 2 1 359.558 3.057 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581728788 506055027 /nfs/dbraw/zinc/05/50/27/506055027.db2.gz VVQWYEBDHLDFLL-KDURUIRLSA-N 2 1 371.569 3.327 20 0 FGADMP CCOC1CC(CNc2cc(CC)[nH+]c3ccccc23)([NH+]2CCOCC2)C1 ZINC000302832611 498594268 /nfs/dbraw/zinc/59/42/68/498594268.db2.gz RQIHMNZOILGMTG-UHFFFAOYSA-N 2 1 369.509 3.479 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OCc1cccnc1 ZINC000363001968 498598915 /nfs/dbraw/zinc/59/89/15/498598915.db2.gz XDLMCWDBUNRPTF-VQTJNVASSA-N 2 1 367.493 3.386 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OCc1cccnc1 ZINC000363001968 498598921 /nfs/dbraw/zinc/59/89/21/498598921.db2.gz XDLMCWDBUNRPTF-VQTJNVASSA-N 2 1 367.493 3.386 20 0 FGADMP C[C@@H](O)c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000290565140 498601203 /nfs/dbraw/zinc/60/12/03/498601203.db2.gz ZXWPNMFBERQAGS-CCNLRDMRSA-N 2 1 357.523 3.482 20 0 FGADMP C[C@@H](O)c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)s1 ZINC000290565140 498601207 /nfs/dbraw/zinc/60/12/07/498601207.db2.gz ZXWPNMFBERQAGS-CCNLRDMRSA-N 2 1 357.523 3.482 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000302937368 498630776 /nfs/dbraw/zinc/63/07/76/498630776.db2.gz ASABJMXLXIWZOM-ZVDOUQERSA-N 2 1 366.594 3.308 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccc(Cl)cc4)o3)C2)nn1 ZINC000581773656 506065484 /nfs/dbraw/zinc/06/54/84/506065484.db2.gz KHRQQBAQOLAIOJ-KRWDZBQOSA-N 2 1 371.872 3.487 20 0 FGADMP CN(C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000287117038 498635098 /nfs/dbraw/zinc/63/50/98/498635098.db2.gz LRPMOMHQKDVHLV-JKWVGCSGSA-N 2 1 370.541 3.090 20 0 FGADMP CN(C)c1nc(-c2ccccc2)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)s1 ZINC000363094558 498645614 /nfs/dbraw/zinc/64/56/14/498645614.db2.gz BZCSHPPAPVLWMJ-HNNXBMFYSA-N 2 1 353.495 3.177 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NC1CCCCC1 ZINC000363127324 498664669 /nfs/dbraw/zinc/66/46/69/498664669.db2.gz YELLAZZFWHKNDS-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000303521615 498687729 /nfs/dbraw/zinc/68/77/29/498687729.db2.gz FGMHZWHKPYQGOE-UHFFFAOYSA-N 2 1 365.949 3.400 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282897504 498701698 /nfs/dbraw/zinc/70/16/98/498701698.db2.gz YLZAJIYPFNFEGF-LJQANCHMSA-N 2 1 353.514 3.192 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000282897504 498701706 /nfs/dbraw/zinc/70/17/06/498701706.db2.gz YLZAJIYPFNFEGF-LJQANCHMSA-N 2 1 353.514 3.192 20 0 FGADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597025 498760805 /nfs/dbraw/zinc/76/08/05/498760805.db2.gz XRGHWPRUDFDJLI-LPHOPBHVSA-N 2 1 368.477 3.424 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000363320940 498761020 /nfs/dbraw/zinc/76/10/20/498761020.db2.gz KOWGSAXWFZRIJJ-AERCQKQUSA-N 2 1 361.574 3.077 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](COC)c2cccc(Cl)c2F)CC1 ZINC000287547721 498793612 /nfs/dbraw/zinc/79/36/12/498793612.db2.gz FMCIAPHLVJSDAK-SFHVURJKSA-N 2 1 371.928 3.174 20 0 FGADMP CN(C)[C@@H](CNC(=O)c1ccc(Cn2ccnc2)cc1)c1ccsc1 ZINC000298526758 498801036 /nfs/dbraw/zinc/80/10/36/498801036.db2.gz UQEQJKOCPFLAJW-SFHVURJKSA-N 2 1 354.479 3.026 20 0 FGADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@H]3C)nc21 ZINC000366209436 498824616 /nfs/dbraw/zinc/82/46/16/498824616.db2.gz KDAILCGKBBPRQE-KZNAEPCWSA-N 2 1 357.498 3.158 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cc2ccccc2o1 ZINC000573001509 506096750 /nfs/dbraw/zinc/09/67/50/506096750.db2.gz SAOUOFIZOCJDNJ-GCDKYVQMSA-N 2 1 355.482 3.058 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cc2ccccc2o1 ZINC000573001509 506096752 /nfs/dbraw/zinc/09/67/52/506096752.db2.gz SAOUOFIZOCJDNJ-GCDKYVQMSA-N 2 1 355.482 3.058 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n(C)c1C ZINC000291180537 498831916 /nfs/dbraw/zinc/83/19/16/498831916.db2.gz KWLLOBDTKBPGQC-UHFFFAOYSA-N 2 1 357.498 3.250 20 0 FGADMP CC(C[NH+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000581972307 506102839 /nfs/dbraw/zinc/10/28/39/506102839.db2.gz GHEDTVDYVSGFES-MUGJNUQGSA-N 2 1 364.574 3.401 20 0 FGADMP CC(C[NH+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1)C[N@H+]1CC(C)(C)[C@@H]1[C@@H]1CCCO1 ZINC000581972307 506102841 /nfs/dbraw/zinc/10/28/41/506102841.db2.gz GHEDTVDYVSGFES-MUGJNUQGSA-N 2 1 364.574 3.401 20 0 FGADMP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000366296333 498864011 /nfs/dbraw/zinc/86/40/11/498864011.db2.gz SCBZNDBUKIMJTA-NRFANRHFSA-N 2 1 369.557 3.420 20 0 FGADMP Cc1cc(Br)cn2c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc12 ZINC000294976348 498867677 /nfs/dbraw/zinc/86/76/77/498867677.db2.gz JKSZTKCAGOOVJU-GOOCMWNKSA-N 2 1 363.303 3.120 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc12 ZINC000294976348 498867684 /nfs/dbraw/zinc/86/76/84/498867684.db2.gz JKSZTKCAGOOVJU-GOOCMWNKSA-N 2 1 363.303 3.120 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc12 ZINC000294976348 498867690 /nfs/dbraw/zinc/86/76/90/498867690.db2.gz JKSZTKCAGOOVJU-GOOCMWNKSA-N 2 1 363.303 3.120 20 0 FGADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)cc1 ZINC000582001452 506110068 /nfs/dbraw/zinc/11/00/68/506110068.db2.gz RRLMBFHXMGORFT-QGZVFWFLSA-N 2 1 374.529 3.203 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366430496 498923572 /nfs/dbraw/zinc/92/35/72/498923572.db2.gz ICZAIBVQWYBCRB-VNCLNFNDSA-N 2 1 365.543 3.116 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000366429588 498923855 /nfs/dbraw/zinc/92/38/55/498923855.db2.gz GSOUQRIOKUKHHI-AWEZNQCLSA-N 2 1 359.445 3.072 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C(C)C ZINC000573113049 506121518 /nfs/dbraw/zinc/12/15/18/506121518.db2.gz QINITECXYKOWJB-RTWAWAEBSA-N 2 1 360.542 3.176 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000573120462 506123270 /nfs/dbraw/zinc/12/32/70/506123270.db2.gz QSYRDMMWSFIBAB-MRXNPFEDSA-N 2 1 373.522 3.006 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000573120462 506123274 /nfs/dbraw/zinc/12/32/74/506123274.db2.gz QSYRDMMWSFIBAB-MRXNPFEDSA-N 2 1 373.522 3.006 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834617 499017964 /nfs/dbraw/zinc/01/79/64/499017964.db2.gz RUPCZKXBXXRPKC-PIKOESSRSA-N 2 1 374.525 3.388 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834617 499017969 /nfs/dbraw/zinc/01/79/69/499017969.db2.gz RUPCZKXBXXRPKC-PIKOESSRSA-N 2 1 374.525 3.388 20 0 FGADMP CC(C)c1cccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000363875994 499035594 /nfs/dbraw/zinc/03/55/94/499035594.db2.gz OBKRFBDCCRQYGD-UHFFFAOYSA-N 2 1 372.557 3.131 20 0 FGADMP Cc1c(-c2cc(C[N@H+]3CCC[C@@H]3Cn3cc[nH+]c3C(C)C)on2)cnn1C ZINC000366721125 499047464 /nfs/dbraw/zinc/04/74/64/499047464.db2.gz KRWGUCOVVFFJGE-MRXNPFEDSA-N 2 1 368.485 3.368 20 0 FGADMP Cc1c(-c2cc(C[N@@H+]3CCC[C@@H]3Cn3cc[nH+]c3C(C)C)on2)cnn1C ZINC000366721125 499047470 /nfs/dbraw/zinc/04/74/70/499047470.db2.gz KRWGUCOVVFFJGE-MRXNPFEDSA-N 2 1 368.485 3.368 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366868005 499100259 /nfs/dbraw/zinc/10/02/59/499100259.db2.gz KZJOAWGMMOSOKY-QGZVFWFLSA-N 2 1 359.514 3.220 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209989 499162233 /nfs/dbraw/zinc/16/22/33/499162233.db2.gz YLAALSIWICMWBU-LIRRHRJNSA-N 2 1 350.453 3.195 20 0 FGADMP CCOC1CC(C[N@@H+](C)[C@H]2CCC[NH+](CC3CC(OCC)C3)CC2)C1 ZINC000367222551 499163947 /nfs/dbraw/zinc/16/39/47/499163947.db2.gz CVUIZJNKPJHUKR-IOWXEBBTSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@H](NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCCC1 ZINC000370026413 499168420 /nfs/dbraw/zinc/16/84/20/499168420.db2.gz JJBBZLIJTUIUHT-KRWDZBQOSA-N 2 1 364.578 3.061 20 0 FGADMP CO[C@H](C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283949 499173352 /nfs/dbraw/zinc/17/33/52/499173352.db2.gz BKZFZDYLHSCZQB-WOJBJXKFSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283949 499173354 /nfs/dbraw/zinc/17/33/54/499173354.db2.gz BKZFZDYLHSCZQB-WOJBJXKFSA-N 2 1 365.949 3.129 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000370119282 499183326 /nfs/dbraw/zinc/18/33/26/499183326.db2.gz DRUKWEFMDPBKKA-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000370119282 499183329 /nfs/dbraw/zinc/18/33/29/499183329.db2.gz DRUKWEFMDPBKKA-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP CC(C)[C@H](CNC(=O)N1CCC(c2cnc[nH]2)CC1)[NH+]1CCC(C)CC1 ZINC000370222060 499199060 /nfs/dbraw/zinc/19/90/60/499199060.db2.gz YBLUKQNJDYDZPB-IBGZPJMESA-N 2 1 361.534 3.055 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]2CCC[C@H]21 ZINC000367610073 499217483 /nfs/dbraw/zinc/21/74/83/499217483.db2.gz ZXMGIMBIDNWAHJ-QHAWAJNXSA-N 2 1 367.493 3.172 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000367675335 499223866 /nfs/dbraw/zinc/22/38/66/499223866.db2.gz ZEMTYSZHTFITOQ-FQEVSTJZSA-N 2 1 367.537 3.178 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1nnc2n1CCCCC2 ZINC000370573913 499232747 /nfs/dbraw/zinc/23/27/47/499232747.db2.gz MYQPUGBYDAOBDF-PKOBYXMFSA-N 2 1 353.514 3.005 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc2n1CCCCC2 ZINC000370573912 499232880 /nfs/dbraw/zinc/23/28/80/499232880.db2.gz MYQPUGBYDAOBDF-MJGOQNOKSA-N 2 1 353.514 3.005 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669911 499242425 /nfs/dbraw/zinc/24/24/25/499242425.db2.gz SMEUEGXOUSSFTP-WIYYLYMNSA-N 3 1 352.526 3.262 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)CCCC2 ZINC000370669911 499242427 /nfs/dbraw/zinc/24/24/27/499242427.db2.gz SMEUEGXOUSSFTP-WIYYLYMNSA-N 3 1 352.526 3.262 20 0 FGADMP Cc1nccn1CCCC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979691 499251613 /nfs/dbraw/zinc/25/16/13/499251613.db2.gz ZCQGRHVPGXYOMB-MSOLQXFVSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979691 499251615 /nfs/dbraw/zinc/25/16/15/499251615.db2.gz ZCQGRHVPGXYOMB-MSOLQXFVSA-N 2 1 362.518 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000367979691 499251617 /nfs/dbraw/zinc/25/16/17/499251617.db2.gz ZCQGRHVPGXYOMB-MSOLQXFVSA-N 2 1 362.518 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047326 499259027 /nfs/dbraw/zinc/25/90/27/499259027.db2.gz SWTVTOYOYKBTGY-NCOADZHNSA-N 2 1 351.535 3.094 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047328 499259159 /nfs/dbraw/zinc/25/91/59/499259159.db2.gz SWTVTOYOYKBTGY-VQHPVUNQSA-N 2 1 351.535 3.094 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)CC[N@H+]1C ZINC000368249527 499278159 /nfs/dbraw/zinc/27/81/59/499278159.db2.gz LYXYONHQONEEAN-XBJCXQGOSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000368249527 499278160 /nfs/dbraw/zinc/27/81/60/499278160.db2.gz LYXYONHQONEEAN-XBJCXQGOSA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH+]1C ZINC000368249527 499278162 /nfs/dbraw/zinc/27/81/62/499278162.db2.gz LYXYONHQONEEAN-XBJCXQGOSA-N 2 1 369.553 3.134 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3cnc(C(F)(F)F)s3)CC2)nc(C)[nH+]1 ZINC000368438686 499296083 /nfs/dbraw/zinc/29/60/83/499296083.db2.gz MXKFNJNKUAKLLO-UHFFFAOYSA-N 2 1 371.432 3.327 20 0 FGADMP C[C@@H]1C[N@@H+](CCCSCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301232 499307363 /nfs/dbraw/zinc/30/73/63/499307363.db2.gz DOJPVODPKIBLOU-CTNGQTDRSA-N 2 1 361.599 3.268 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000368564080 499307959 /nfs/dbraw/zinc/30/79/59/499307959.db2.gz OXSYYBDXNPGYQP-YWZLYKJASA-N 2 1 365.481 3.098 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329591 499310505 /nfs/dbraw/zinc/31/05/05/499310505.db2.gz KXWNHJMXSKEQGZ-MSOLQXFVSA-N 2 1 357.546 3.058 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329857 499311339 /nfs/dbraw/zinc/31/13/39/499311339.db2.gz OPRUVDUVMIRKOE-PXNSSMCTSA-N 2 1 369.509 3.208 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc12 ZINC000371332354 499311495 /nfs/dbraw/zinc/31/14/95/499311495.db2.gz ORODBCCWOPNXOY-FQEVSTJZSA-N 2 1 367.537 3.449 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000371332097 499311520 /nfs/dbraw/zinc/31/15/20/499311520.db2.gz NCRKKNNYLRYIFR-KRWDZBQOSA-N 2 1 371.447 3.186 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000368791083 499333085 /nfs/dbraw/zinc/33/30/85/499333085.db2.gz JZQVPIKNKVVBPF-GOSISDBHSA-N 2 1 361.852 3.487 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369269226 499385922 /nfs/dbraw/zinc/38/59/22/499385922.db2.gz VTVJWZDJIBRRMQ-UZLBHIALSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369269226 499385924 /nfs/dbraw/zinc/38/59/24/499385924.db2.gz VTVJWZDJIBRRMQ-UZLBHIALSA-N 2 1 372.944 3.346 20 0 FGADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000369315316 499390692 /nfs/dbraw/zinc/39/06/92/499390692.db2.gz SFPJJGSHVLGORB-KRWDZBQOSA-N 2 1 370.497 3.409 20 0 FGADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000369315316 499390693 /nfs/dbraw/zinc/39/06/93/499390693.db2.gz SFPJJGSHVLGORB-KRWDZBQOSA-N 2 1 370.497 3.409 20 0 FGADMP CC(C)c1nc(CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cs1 ZINC000372066046 499395253 /nfs/dbraw/zinc/39/52/53/499395253.db2.gz KVIYBZFNKJZNOW-RYQLBKOJSA-N 2 1 351.560 3.288 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([N@@H+]4CCC[C@H]4C)CC3)CC2)nc1 ZINC000372085007 499397399 /nfs/dbraw/zinc/39/73/99/499397399.db2.gz AOWVCKYVYCRXKG-GOSISDBHSA-N 2 1 370.541 3.082 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([N@H+]4CCC[C@H]4C)CC3)CC2)[nH+]c1 ZINC000372085007 499397400 /nfs/dbraw/zinc/39/74/00/499397400.db2.gz AOWVCKYVYCRXKG-GOSISDBHSA-N 2 1 370.541 3.082 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([N@@H+]4CCC[C@H]4C)CC3)CC2)[nH+]c1 ZINC000372085007 499397402 /nfs/dbraw/zinc/39/74/02/499397402.db2.gz AOWVCKYVYCRXKG-GOSISDBHSA-N 2 1 370.541 3.082 20 0 FGADMP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369571210 499420220 /nfs/dbraw/zinc/42/02/20/499420220.db2.gz VRCBMAQBFUGWIE-NLWGTHIKSA-N 2 1 371.550 3.030 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)cc1 ZINC000369708791 499438156 /nfs/dbraw/zinc/43/81/56/499438156.db2.gz JFCVUFBWEFDEFF-NRFANRHFSA-N 2 1 351.494 3.095 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000369711509 499438359 /nfs/dbraw/zinc/43/83/59/499438359.db2.gz CSYNLJAEDXOSAY-CTNGQTDRSA-N 2 1 351.494 3.023 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1coc(-c2cccc(F)c2)n1 ZINC000373447984 499470275 /nfs/dbraw/zinc/47/02/75/499470275.db2.gz LYQOBJNZOQZMRQ-YSGRDPCXSA-N 2 1 373.472 3.460 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000373763234 499486807 /nfs/dbraw/zinc/48/68/07/499486807.db2.gz MXNXKCYWJYZMBT-NRFANRHFSA-N 2 1 366.509 3.410 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000373763234 499486808 /nfs/dbraw/zinc/48/68/08/499486808.db2.gz MXNXKCYWJYZMBT-NRFANRHFSA-N 2 1 366.509 3.410 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378513211 499526102 /nfs/dbraw/zinc/52/61/02/499526102.db2.gz CQFBYZREHPVFCM-RBUKOAKNSA-N 2 1 372.557 3.436 20 0 FGADMP COc1cc2c(cc1F)nccc2N[C@H]1CCCN(Cc2noc(C)n2)C1 ZINC000375667711 499543002 /nfs/dbraw/zinc/54/30/02/499543002.db2.gz ZPHSAYLYWJXCEF-ZDUSSCGKSA-N 2 1 371.416 3.150 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000382750468 499546134 /nfs/dbraw/zinc/54/61/34/499546134.db2.gz ZIPQCGKKFPUQHK-IBGZPJMESA-N 2 1 365.521 3.185 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC[C@@H](O)c3ccccc3)CC2)CC1 ZINC000375715139 499548125 /nfs/dbraw/zinc/54/81/25/499548125.db2.gz UWPUFTRMSBXDDS-HSZRJFAPSA-N 3 1 373.585 3.238 20 0 FGADMP C[N@H+](CC[C@@H](O)c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375715139 499548127 /nfs/dbraw/zinc/54/81/27/499548127.db2.gz UWPUFTRMSBXDDS-HSZRJFAPSA-N 3 1 373.585 3.238 20 0 FGADMP C[N@@H+](CC[C@@H](O)c1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375715139 499548128 /nfs/dbraw/zinc/54/81/28/499548128.db2.gz UWPUFTRMSBXDDS-HSZRJFAPSA-N 3 1 373.585 3.238 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000388495685 499551017 /nfs/dbraw/zinc/55/10/17/499551017.db2.gz FXHRJXXMRQOCRU-QGZVFWFLSA-N 2 1 354.450 3.036 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375748893 499551316 /nfs/dbraw/zinc/55/13/16/499551316.db2.gz ASAVHJMDFDTADA-VFSICIBPSA-N 2 1 373.324 3.290 20 0 FGADMP COc1cc(C)nc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000389007185 499551749 /nfs/dbraw/zinc/55/17/49/499551749.db2.gz VZLBREKRXCXQEN-UXHICEINSA-N 2 1 351.494 3.353 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000390886804 499556220 /nfs/dbraw/zinc/55/62/20/499556220.db2.gz WUUHVSYKVIZWLR-PZJWPPBQSA-N 2 1 372.509 3.047 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COCc1ccco1 ZINC000390886804 499556221 /nfs/dbraw/zinc/55/62/21/499556221.db2.gz WUUHVSYKVIZWLR-PZJWPPBQSA-N 2 1 372.509 3.047 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)COc1ccc(F)cc1 ZINC000397965998 499565789 /nfs/dbraw/zinc/56/57/89/499565789.db2.gz GXUDZLJECPARRU-PIPMEXSNSA-N 2 1 372.484 3.066 20 0 FGADMP CCCOc1ccc(Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401784697 499569350 /nfs/dbraw/zinc/56/93/50/499569350.db2.gz SKHUTLXMDFEIAO-UHFFFAOYSA-N 2 1 352.276 3.304 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167418 499588501 /nfs/dbraw/zinc/58/85/01/499588501.db2.gz QBXSHWJIGZDXFV-WMZOPIPTSA-N 2 1 360.546 3.340 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167418 499588502 /nfs/dbraw/zinc/58/85/02/499588502.db2.gz QBXSHWJIGZDXFV-WMZOPIPTSA-N 2 1 360.546 3.340 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000376181560 499589573 /nfs/dbraw/zinc/58/95/73/499589573.db2.gz PJHZJBUIFPHAHX-LJQANCHMSA-N 2 1 373.545 3.227 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CCc4ccccc4[C@H]3CO)sc2C1 ZINC000376339714 499601361 /nfs/dbraw/zinc/60/13/61/499601361.db2.gz IGANCYPJPJTBDN-GOSISDBHSA-N 2 1 357.523 3.001 20 0 FGADMP CC(C)N1CCc2nc(CN3CCc4ccccc4[C@H]3CO)sc2C1 ZINC000376339714 499601363 /nfs/dbraw/zinc/60/13/63/499601363.db2.gz IGANCYPJPJTBDN-GOSISDBHSA-N 2 1 357.523 3.001 20 0 FGADMP C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1CCN(Cc2ccncc2)CC1 ZINC000376547371 499617398 /nfs/dbraw/zinc/61/73/98/499617398.db2.gz SUWNQCVJDKFOBM-NRFANRHFSA-N 2 1 373.928 3.235 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000579344969 506152228 /nfs/dbraw/zinc/15/22/28/506152228.db2.gz NUHVYGDGHTWLFJ-SBHAEUEKSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@H]1c1cccs1 ZINC000579344969 506152232 /nfs/dbraw/zinc/15/22/32/506152232.db2.gz NUHVYGDGHTWLFJ-SBHAEUEKSA-N 2 1 374.550 3.298 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573250826 506152858 /nfs/dbraw/zinc/15/28/58/506152858.db2.gz DUKISQSIYFRPDX-YESZJQIVSA-N 2 1 369.912 3.493 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000573250826 506152863 /nfs/dbraw/zinc/15/28/63/506152863.db2.gz DUKISQSIYFRPDX-YESZJQIVSA-N 2 1 369.912 3.493 20 0 FGADMP CC[C@H](NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000376823382 499637735 /nfs/dbraw/zinc/63/77/35/499637735.db2.gz PBXQUQKJRCENOW-FQEVSTJZSA-N 2 1 373.520 3.250 20 0 FGADMP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccccc1F ZINC000376823382 499637737 /nfs/dbraw/zinc/63/77/37/499637737.db2.gz PBXQUQKJRCENOW-FQEVSTJZSA-N 2 1 373.520 3.250 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000410337982 499655697 /nfs/dbraw/zinc/65/56/97/499655697.db2.gz MFOHDTYEOCISRV-BGYRXZFFSA-N 2 1 351.579 3.074 20 0 FGADMP Cn1cc[nH+]c1[C@H]1CCCN(Cc2noc(-c3ccc(F)cc3F)n2)C1 ZINC000377265616 499675243 /nfs/dbraw/zinc/67/52/43/499675243.db2.gz GHUULYKVDACYCD-LBPRGKRZSA-N 2 1 359.380 3.128 20 0 FGADMP O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411179220 499707385 /nfs/dbraw/zinc/70/73/85/499707385.db2.gz ZWMKZNMCARLCES-QFIPXVFZSA-N 2 1 369.553 3.411 20 0 FGADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377708807 499723307 /nfs/dbraw/zinc/72/33/07/499723307.db2.gz YBLIYAZAZJGIQI-HNYYDBCASA-N 2 1 359.533 3.390 20 0 FGADMP CC(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000411315147 499725205 /nfs/dbraw/zinc/72/52/05/499725205.db2.gz HDTRVCCAJIVQNM-CZYKHXBRSA-N 2 1 364.574 3.405 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401793 499735029 /nfs/dbraw/zinc/73/50/29/499735029.db2.gz RHRMNIVFGULDLB-DNVJHFABSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401793 499735030 /nfs/dbraw/zinc/73/50/30/499735030.db2.gz RHRMNIVFGULDLB-DNVJHFABSA-N 3 1 371.569 3.356 20 0 FGADMP CN(CC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000411408531 499736075 /nfs/dbraw/zinc/73/60/75/499736075.db2.gz NKGXWVXVQHQYTC-UHFFFAOYSA-N 3 1 372.601 3.130 20 0 FGADMP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411408531 499736076 /nfs/dbraw/zinc/73/60/76/499736076.db2.gz NKGXWVXVQHQYTC-UHFFFAOYSA-N 2 1 372.601 3.130 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411408531 499736077 /nfs/dbraw/zinc/73/60/77/499736077.db2.gz NKGXWVXVQHQYTC-UHFFFAOYSA-N 2 1 372.601 3.130 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)cc1 ZINC000377817993 499738369 /nfs/dbraw/zinc/73/83/69/499738369.db2.gz DIBXQFLCCJGORA-FDFHNCONSA-N 2 1 363.505 3.123 20 0 FGADMP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000411470483 499744621 /nfs/dbraw/zinc/74/46/21/499744621.db2.gz CFDCITJUCSCBDT-IBGZPJMESA-N 2 1 367.484 3.385 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[NH+](C)[C@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928311 499748616 /nfs/dbraw/zinc/74/86/16/499748616.db2.gz XKXRESZPPNNIPM-RMRDIRSESA-N 2 1 363.933 3.179 20 0 FGADMP Cn1cnc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414128434 499763031 /nfs/dbraw/zinc/76/30/31/499763031.db2.gz RZAWVNUSZXVOGI-CEMLEFRQSA-N 2 1 352.526 3.243 20 0 FGADMP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411561807 499763312 /nfs/dbraw/zinc/76/33/12/499763312.db2.gz RNAQQPVIHMLLDL-RTWAWAEBSA-N 2 1 374.525 3.215 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414198929 499767734 /nfs/dbraw/zinc/76/77/34/499767734.db2.gz XADVQTYTXACEKI-IAGOWNOFSA-N 2 1 350.503 3.103 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299576 499775510 /nfs/dbraw/zinc/77/55/10/499775510.db2.gz UHINCXIEHQXSPN-WMQCIHAUSA-N 2 1 356.485 3.402 20 0 FGADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751630 499826562 /nfs/dbraw/zinc/82/65/62/499826562.db2.gz SUYABTAOVRUITI-CQSZACIVSA-N 2 1 358.313 3.013 20 0 FGADMP COCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414753803 499826734 /nfs/dbraw/zinc/82/67/34/499826734.db2.gz FEQCWPNSPINWBW-OLZOCXBDSA-N 2 1 361.349 3.347 20 0 FGADMP C[C@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760645 499827362 /nfs/dbraw/zinc/82/73/62/499827362.db2.gz YTVDWBWGFPFBDI-QWHCGFSZSA-N 2 1 370.324 3.110 20 0 FGADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414778912 499830207 /nfs/dbraw/zinc/83/02/07/499830207.db2.gz JOFAFAJWUPXKPW-RBUKOAKNSA-N 2 1 351.494 3.482 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000414788634 499831443 /nfs/dbraw/zinc/83/14/43/499831443.db2.gz NABUINMRHQTYLC-MSOLQXFVSA-N 2 1 361.486 3.277 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC000412188523 499832105 /nfs/dbraw/zinc/83/21/05/499832105.db2.gz BUWCHJMACUUAER-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414817523 499834368 /nfs/dbraw/zinc/83/43/68/499834368.db2.gz AUHJUJWCSIIWSO-WMLDXEAASA-N 2 1 366.431 3.428 20 0 FGADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)cc(Br)c1OC(F)F ZINC000414880362 499840546 /nfs/dbraw/zinc/84/05/46/499840546.db2.gz JPVZKSAVHNHJCX-UHFFFAOYSA-N 2 1 365.218 3.030 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)c2)cc1 ZINC000414919114 499844537 /nfs/dbraw/zinc/84/45/37/499844537.db2.gz WBITWBFFBFBWIU-QFIPXVFZSA-N 2 1 367.493 3.427 20 0 FGADMP CC1([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH2+]CC1 ZINC000414946939 499847717 /nfs/dbraw/zinc/84/77/17/499847717.db2.gz VCSZSOBVNRSVIA-UHFFFAOYSA-N 2 1 352.404 3.182 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358807 499848371 /nfs/dbraw/zinc/84/83/71/499848371.db2.gz JIIMLTXAUOGPLJ-JQVVWYNYSA-N 2 1 369.553 3.475 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358803 499848386 /nfs/dbraw/zinc/84/83/86/499848386.db2.gz JIIMLTXAUOGPLJ-CNNODRBYSA-N 2 1 369.553 3.475 20 0 FGADMP c1sc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)nc1-c1ccccc1 ZINC000415047082 499857921 /nfs/dbraw/zinc/85/79/21/499857921.db2.gz DQHRYHNWHRZZHR-UHFFFAOYSA-N 2 1 356.539 3.116 20 0 FGADMP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415056738 499859009 /nfs/dbraw/zinc/85/90/09/499859009.db2.gz QNGGCVVIJMSVDT-MNNVXMFVSA-N 2 1 369.475 3.442 20 0 FGADMP COc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058734 499859344 /nfs/dbraw/zinc/85/93/44/499859344.db2.gz WCYLZCZXXNCFLE-GOEBONIOSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058734 499859346 /nfs/dbraw/zinc/85/93/46/499859346.db2.gz WCYLZCZXXNCFLE-GOEBONIOSA-N 2 1 350.528 3.390 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000415100307 499863322 /nfs/dbraw/zinc/86/33/22/499863322.db2.gz ABGFXVCDHCKNBH-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000415131627 499868129 /nfs/dbraw/zinc/86/81/29/499868129.db2.gz ZVPGGFSTPMOCSV-GUYCJALGSA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)Cc1ncc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415135270 499868891 /nfs/dbraw/zinc/86/88/91/499868891.db2.gz QCIVAVQVNGCFFY-UHFFFAOYSA-N 2 1 372.582 3.425 20 0 FGADMP C[C@@H]1C[C@H](C)N(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C[C@@H]1C[NH3+] ZINC000576458306 506163370 /nfs/dbraw/zinc/16/33/70/506163370.db2.gz CYBFWXKNDXUXFO-JFRXWTBNSA-N 2 1 372.557 3.325 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000415915125 499927873 /nfs/dbraw/zinc/92/78/73/499927873.db2.gz YGKZSDUVQCPZDL-QGZVFWFLSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415915125 499927876 /nfs/dbraw/zinc/92/78/76/499927876.db2.gz YGKZSDUVQCPZDL-QGZVFWFLSA-N 2 1 352.482 3.144 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415944239 499931413 /nfs/dbraw/zinc/93/14/13/499931413.db2.gz OHJOADFXYIGWKC-LJQANCHMSA-N 2 1 352.482 3.192 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415946853 499931939 /nfs/dbraw/zinc/93/19/39/499931939.db2.gz UXMDABGXBPHGRD-QGZVFWFLSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415946853 499931941 /nfs/dbraw/zinc/93/19/41/499931941.db2.gz UXMDABGXBPHGRD-QGZVFWFLSA-N 2 1 352.482 3.144 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417042695 499956315 /nfs/dbraw/zinc/95/63/15/499956315.db2.gz LXDJICQJOKWKRG-YLJYHZDGSA-N 2 1 360.546 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417047786 499957242 /nfs/dbraw/zinc/95/72/42/499957242.db2.gz QXXJUJYCLUAIPK-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050944 499957901 /nfs/dbraw/zinc/95/79/01/499957901.db2.gz YKGIFLSYPYWOJZ-AZUAARDMSA-N 2 1 360.546 3.278 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573305656 506167400 /nfs/dbraw/zinc/16/74/00/506167400.db2.gz GTZBPKYWLWYFCV-ZWKOTPCHSA-N 2 1 367.497 3.128 20 0 FGADMP C(=C/C[N@H+]1CCOC[C@@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033364 499989501 /nfs/dbraw/zinc/98/95/01/499989501.db2.gz FXGXBHVOWWNDLV-XFDDJKQHSA-N 2 1 362.558 3.040 20 0 FGADMP C(=C/C[N@@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000429033364 499989506 /nfs/dbraw/zinc/98/95/06/499989506.db2.gz FXGXBHVOWWNDLV-XFDDJKQHSA-N 2 1 362.558 3.040 20 0 FGADMP C(=C/C[N@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000429033364 499989512 /nfs/dbraw/zinc/98/95/12/499989512.db2.gz FXGXBHVOWWNDLV-XFDDJKQHSA-N 2 1 362.558 3.040 20 0 FGADMP C[NH2+]CCCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000570448804 506169668 /nfs/dbraw/zinc/16/96/68/506169668.db2.gz GJGDPMWMQURGSA-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417240876 500015203 /nfs/dbraw/zinc/01/52/03/500015203.db2.gz QDEDDZLHOZIGCI-IEBWSBKVSA-N 2 1 360.546 3.276 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C/c3ccc(F)c(F)c3)CC2)CC1 ZINC000421371669 500030351 /nfs/dbraw/zinc/03/03/51/500030351.db2.gz KCWMZCRGGGFGJD-HWKANZROSA-N 2 1 363.496 3.470 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCN(CC(F)F)C2)CC1 ZINC000417363192 500049680 /nfs/dbraw/zinc/04/96/80/500049680.db2.gz AOWKXXOCIPTSSQ-XBMUEBEBSA-N 2 1 351.485 3.359 20 0 FGADMP CC(C)n1cncc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000425330125 500075880 /nfs/dbraw/zinc/07/58/80/500075880.db2.gz ATMYZLMLDYPMDB-UHFFFAOYSA-N 2 1 361.578 3.092 20 0 FGADMP CS[C@@H]1CC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375433 500089415 /nfs/dbraw/zinc/08/94/15/500089415.db2.gz ZOLVMHPCFYPRME-VAMGGRTRSA-N 2 1 360.567 3.399 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541385 500097221 /nfs/dbraw/zinc/09/72/21/500097221.db2.gz OUKANZWKCDBLHP-LSDHHAIUSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541385 500097223 /nfs/dbraw/zinc/09/72/23/500097223.db2.gz OUKANZWKCDBLHP-LSDHHAIUSA-N 2 1 361.313 3.149 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429558941 500102267 /nfs/dbraw/zinc/10/22/67/500102267.db2.gz NKRJWCMSRDAJNN-WOJBJXKFSA-N 2 1 362.558 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429558941 500102271 /nfs/dbraw/zinc/10/22/71/500102271.db2.gz NKRJWCMSRDAJNN-WOJBJXKFSA-N 2 1 362.558 3.448 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000414065631 500143025 /nfs/dbraw/zinc/14/30/25/500143025.db2.gz GFHLXSLBXDIQPR-RXVVDRJESA-N 2 1 353.510 3.175 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000421781977 500149580 /nfs/dbraw/zinc/14/95/80/500149580.db2.gz ZWFUMRQMXIFFHQ-VAMGGRTRSA-N 2 1 361.574 3.077 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000421837031 500162064 /nfs/dbraw/zinc/16/20/64/500162064.db2.gz RVTFKJLDKAJJKC-QVKFZJNVSA-N 2 1 362.489 3.376 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1=O ZINC000421848848 500163024 /nfs/dbraw/zinc/16/30/24/500163024.db2.gz AQEPIGTWLBCWDG-CBPXPLCBSA-N 2 1 369.553 3.278 20 0 FGADMP COc1ccc([C@@H]([NH2+]Cc2ccncc2OCC[NH+](C)C)C2CC2)c(F)c1 ZINC000421860067 500164981 /nfs/dbraw/zinc/16/49/81/500164981.db2.gz TZJWCPXQEVOLAU-NRFANRHFSA-N 2 1 373.472 3.411 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCOCC1 ZINC000421867963 500166047 /nfs/dbraw/zinc/16/60/47/500166047.db2.gz PTWBJWRMFCWTPW-OYNPSCLESA-N 2 1 358.526 3.071 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)C1 ZINC000416966706 500168668 /nfs/dbraw/zinc/16/86/68/500168668.db2.gz FXWDTMNHZZHKOV-UYAOXDASSA-N 2 1 372.557 3.189 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802389 500175143 /nfs/dbraw/zinc/17/51/43/500175143.db2.gz WYAJEGNTWNFPTH-VQTJNVASSA-N 2 1 358.530 3.030 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826282 500179924 /nfs/dbraw/zinc/17/99/24/500179924.db2.gz BZMFAKQSQGUABI-UIFIKXQLSA-N 2 1 366.509 3.039 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417866127 500187013 /nfs/dbraw/zinc/18/70/13/500187013.db2.gz DBTROSUEIZYLEN-XGHQBKJUSA-N 2 1 366.509 3.169 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000417879481 500190229 /nfs/dbraw/zinc/19/02/29/500190229.db2.gz PQEDXZRPCKQVJM-XLIONFOSSA-N 2 1 360.546 3.187 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463574 506181478 /nfs/dbraw/zinc/18/14/78/506181478.db2.gz ZXKCJLAYUOQHHF-UYAOXDASSA-N 2 1 368.949 3.175 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000417888218 500192408 /nfs/dbraw/zinc/19/24/08/500192408.db2.gz IRUMWEBWYUWHJB-ARXXEPJESA-N 2 1 372.557 3.054 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000417887879 500192448 /nfs/dbraw/zinc/19/24/48/500192448.db2.gz WYIOMHMCXKBMCD-QFIPXVFZSA-N 2 1 372.557 3.204 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000417887146 500192545 /nfs/dbraw/zinc/19/25/45/500192545.db2.gz WRGGXEHGVIIEEP-RTWAWAEBSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417984129 500209315 /nfs/dbraw/zinc/20/93/15/500209315.db2.gz OMGCILFJCWKMGD-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217720 500210602 /nfs/dbraw/zinc/21/06/02/500210602.db2.gz LGYFTEVWYTUJIX-UNMCSNQZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217720 500210605 /nfs/dbraw/zinc/21/06/05/500210605.db2.gz LGYFTEVWYTUJIX-UNMCSNQZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217720 500210606 /nfs/dbraw/zinc/21/06/06/500210606.db2.gz LGYFTEVWYTUJIX-UNMCSNQZSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+](CCCOc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425927036 500213192 /nfs/dbraw/zinc/21/31/92/500213192.db2.gz QDFGSYKTFWTXDX-QFIPXVFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[N@@H+](CCCOc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425927036 500213195 /nfs/dbraw/zinc/21/31/95/500213195.db2.gz QDFGSYKTFWTXDX-QFIPXVFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[NH+](CCCOc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425927036 500213198 /nfs/dbraw/zinc/21/31/98/500213198.db2.gz QDFGSYKTFWTXDX-QFIPXVFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[NH+](CCCOc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425927036 500213200 /nfs/dbraw/zinc/21/32/00/500213200.db2.gz QDFGSYKTFWTXDX-QFIPXVFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418105978 500230331 /nfs/dbraw/zinc/23/03/31/500230331.db2.gz MHMLHOULZMCWSR-XLIONFOSSA-N 2 1 366.509 3.028 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156840 500238884 /nfs/dbraw/zinc/23/88/84/500238884.db2.gz NPJYOHPLXKPHEN-YSIASYRMSA-N 2 1 372.557 3.056 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185259 500245021 /nfs/dbraw/zinc/24/50/21/500245021.db2.gz QWTOEIQTTBQELV-UWWQBHOKSA-N 2 1 366.937 3.102 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000418251860 500255918 /nfs/dbraw/zinc/25/59/18/500255918.db2.gz XFTJMLSTQASHPM-IBGZPJMESA-N 2 1 360.546 3.056 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000430576606 500257136 /nfs/dbraw/zinc/25/71/36/500257136.db2.gz SJBMYPKIKJJGDK-CQSZACIVSA-N 2 1 356.308 3.083 20 0 FGADMP Cn1c2ccccc2cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000426295969 500257621 /nfs/dbraw/zinc/25/76/21/500257621.db2.gz WHWKTQDJUXBFOP-UHFFFAOYSA-N 2 1 353.510 3.425 20 0 FGADMP C[N@@H+](CCCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000418271375 500258189 /nfs/dbraw/zinc/25/81/89/500258189.db2.gz SZCUZURUPMZRKK-HXUWFJFHSA-N 2 1 354.498 3.013 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430627788 500263645 /nfs/dbraw/zinc/26/36/45/500263645.db2.gz NNHAODZQQCBMIV-IBGZPJMESA-N 2 1 365.521 3.214 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000418336720 500264402 /nfs/dbraw/zinc/26/44/02/500264402.db2.gz XHLAFBNXWJNODP-QHAWAJNXSA-N 2 1 372.557 3.467 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418338145 500264827 /nfs/dbraw/zinc/26/48/27/500264827.db2.gz JQBWIWQULIYJMC-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641751 500264924 /nfs/dbraw/zinc/26/49/24/500264924.db2.gz UBYTWLPAAMOUIW-GUYCJALGSA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641751 500264929 /nfs/dbraw/zinc/26/49/29/500264929.db2.gz UBYTWLPAAMOUIW-GUYCJALGSA-N 2 1 370.324 3.328 20 0 FGADMP C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[C@H]1CCC[NH2+]C1 ZINC000418340398 500264926 /nfs/dbraw/zinc/26/49/26/500264926.db2.gz LHGXVSJSUHVAIU-HBFSDRIKSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000430684730 500269913 /nfs/dbraw/zinc/26/99/13/500269913.db2.gz OGGWOGDYGWQZTQ-GOSISDBHSA-N 2 1 370.541 3.232 20 0 FGADMP CCN(C(=O)NC1CCC([NH3+])CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418377339 500270078 /nfs/dbraw/zinc/27/00/78/500270078.db2.gz BGWCNPDOYVPSCI-SGZDXZSOSA-N 2 1 358.530 3.123 20 0 FGADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)NCC(C)(C)[NH3+])Cc1ccccc1 ZINC000418424329 500275007 /nfs/dbraw/zinc/27/50/07/500275007.db2.gz GVCVETUCHQGRDX-UHFFFAOYSA-N 2 1 368.525 3.068 20 0 FGADMP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418425232 500275049 /nfs/dbraw/zinc/27/50/49/500275049.db2.gz JEWQVWHNYQHHAO-YSIASYRMSA-N 2 1 360.546 3.227 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418429679 500275359 /nfs/dbraw/zinc/27/53/59/500275359.db2.gz SKCHWUYXZIAPKZ-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CCN(C(=O)NCC([NH3+])(CC)CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418431392 500275981 /nfs/dbraw/zinc/27/59/81/500275981.db2.gz WZGCWQIYWNABDM-PKOBYXMFSA-N 2 1 360.546 3.371 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000430749418 500279196 /nfs/dbraw/zinc/27/91/96/500279196.db2.gz JNOALMZWHSKYBZ-XMSQKQJNSA-N 2 1 365.521 3.277 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C[C@@H]1C ZINC000418482517 500281896 /nfs/dbraw/zinc/28/18/96/500281896.db2.gz FBTWXGLEMKFHDN-ORYQWCPZSA-N 2 1 368.525 3.354 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625820 500282923 /nfs/dbraw/zinc/28/29/23/500282923.db2.gz COYYJMWININKAV-CVYDXHPNSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422625820 500282926 /nfs/dbraw/zinc/28/29/26/500282926.db2.gz COYYJMWININKAV-CVYDXHPNSA-N 2 1 357.498 3.257 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636396 500284148 /nfs/dbraw/zinc/28/41/48/500284148.db2.gz NCBPXQIIBOATBI-DLTWYDFYSA-N 2 1 351.922 3.165 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636396 500284149 /nfs/dbraw/zinc/28/41/49/500284149.db2.gz NCBPXQIIBOATBI-DLTWYDFYSA-N 2 1 351.922 3.165 20 0 FGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726520 500290563 /nfs/dbraw/zinc/29/05/63/500290563.db2.gz FBZWHEFATAMTTE-XYPHTWIQSA-N 2 1 357.420 3.284 20 0 FGADMP CC[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422726519 500290801 /nfs/dbraw/zinc/29/08/01/500290801.db2.gz FBZWHEFATAMTTE-XKQJLSEDSA-N 2 1 357.420 3.284 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422784519 500297544 /nfs/dbraw/zinc/29/75/44/500297544.db2.gz IPBUQICDOWXSGR-KSMMKXTCSA-N 2 1 364.486 3.034 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809071 500300498 /nfs/dbraw/zinc/30/04/98/500300498.db2.gz RFLAQHKQPWFGAH-KKSFZXQISA-N 2 1 351.494 3.473 20 0 FGADMP N[C@H]1CCCCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817991 500302006 /nfs/dbraw/zinc/30/20/06/500302006.db2.gz JBMWALVUYQLAEJ-FCHUYYIVSA-N 2 1 359.558 3.307 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860230 500306681 /nfs/dbraw/zinc/30/66/81/500306681.db2.gz LCQSXZKTWRXPQW-TWHAJKEOSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860230 500306683 /nfs/dbraw/zinc/30/66/83/500306683.db2.gz LCQSXZKTWRXPQW-TWHAJKEOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422860230 500306685 /nfs/dbraw/zinc/30/66/85/500306685.db2.gz LCQSXZKTWRXPQW-TWHAJKEOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924800 500307800 /nfs/dbraw/zinc/30/78/00/500307800.db2.gz JOBYCVKQWRLZGF-RXVVDRJESA-N 2 1 365.521 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000422887304 500311121 /nfs/dbraw/zinc/31/11/21/500311121.db2.gz AZAUFJDTTVGARK-FKKSXTGDSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422887304 500311123 /nfs/dbraw/zinc/31/11/23/500311123.db2.gz AZAUFJDTTVGARK-FKKSXTGDSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000422887304 500311125 /nfs/dbraw/zinc/31/11/25/500311125.db2.gz AZAUFJDTTVGARK-FKKSXTGDSA-N 2 1 371.569 3.021 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)c2ccccc21 ZINC000422900461 500313840 /nfs/dbraw/zinc/31/38/40/500313840.db2.gz JHDOUUQOJWGLRR-IUIKQTSFSA-N 2 1 367.276 3.468 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769644 500318088 /nfs/dbraw/zinc/31/80/88/500318088.db2.gz KRXBXKRMJWRBJX-NRSPTQNISA-N 2 1 369.553 3.278 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422937623 500319828 /nfs/dbraw/zinc/31/98/28/500319828.db2.gz OLTBUFMMKLIJNO-BHYGNILZSA-N 2 1 353.304 3.468 20 0 FGADMP C[NH2+]C[C@H](C)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000431030886 500325805 /nfs/dbraw/zinc/32/58/05/500325805.db2.gz SNDFZFPMVSEUBZ-IBGZPJMESA-N 2 1 353.510 3.003 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431058217 500329589 /nfs/dbraw/zinc/32/95/89/500329589.db2.gz RMQOVOUDRSXPIR-BHIYHBOVSA-N 2 1 363.571 3.374 20 0 FGADMP CCC[N@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000431071104 500331636 /nfs/dbraw/zinc/33/16/36/500331636.db2.gz NMUWBVBMPCTXDU-UHFFFAOYSA-N 2 1 359.558 3.107 20 0 FGADMP CCC[N@@H+](CC(=O)NCCc1ccc(C(C)(C)C)cc1)C1CC[NH2+]CC1 ZINC000431071104 500331639 /nfs/dbraw/zinc/33/16/39/500331639.db2.gz NMUWBVBMPCTXDU-UHFFFAOYSA-N 2 1 359.558 3.107 20 0 FGADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021904 500331984 /nfs/dbraw/zinc/33/19/84/500331984.db2.gz GNQBASZQAUYNSU-RYUDHWBXSA-N 2 1 367.209 3.316 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431101211 500336057 /nfs/dbraw/zinc/33/60/57/500336057.db2.gz YFYYRKGDLOFDAD-QFIPXVFZSA-N 2 1 357.542 3.498 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)C1CC[NH2+]CC1 ZINC000431101211 500336059 /nfs/dbraw/zinc/33/60/59/500336059.db2.gz YFYYRKGDLOFDAD-QFIPXVFZSA-N 2 1 357.542 3.498 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000419286357 500349801 /nfs/dbraw/zinc/34/98/01/500349801.db2.gz FNPJHAFYWXVRNY-YWZLYKJASA-N 2 1 359.489 3.094 20 0 FGADMP FC(F)(F)c1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423161491 500350203 /nfs/dbraw/zinc/35/02/03/500350203.db2.gz RZRRKDWKCVTXDO-YJBOKZPZSA-N 2 1 363.383 3.446 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1I)[C@@H]1CCC[NH2+]C1 ZINC000423220579 500356234 /nfs/dbraw/zinc/35/62/34/500356234.db2.gz VRRAVUWMLQKTTC-FRRDWIJNSA-N 2 1 358.267 3.330 20 0 FGADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423281323 500361216 /nfs/dbraw/zinc/36/12/16/500361216.db2.gz UGRYNTBLURFXTM-LKFCYVNXSA-N 2 1 363.811 3.403 20 0 FGADMP CC(C)(C(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423297891 500362571 /nfs/dbraw/zinc/36/25/71/500362571.db2.gz MHYHVLNUXKQGHC-FQEVSTJZSA-N 2 1 351.494 3.057 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423421786 500373729 /nfs/dbraw/zinc/37/37/29/500373729.db2.gz BAUAEZGUJKIVAE-USWKJHDZSA-N 3 1 353.554 3.265 20 0 FGADMP Fc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423522771 500381599 /nfs/dbraw/zinc/38/15/99/500381599.db2.gz RQKFQXFCQKUSNQ-JKSUJKDBSA-N 2 1 361.486 3.295 20 0 FGADMP Cc1c([C@@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C(C)C ZINC000423573579 500386433 /nfs/dbraw/zinc/38/64/33/500386433.db2.gz OVRWTBAMGYAEFG-GOSISDBHSA-N 2 1 369.557 3.417 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431622979 500399969 /nfs/dbraw/zinc/39/99/69/500399969.db2.gz RIZQFENIHLBSKF-JOCHJYFZSA-N 2 1 365.521 3.332 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000431652191 500403635 /nfs/dbraw/zinc/40/36/35/500403635.db2.gz ASJXQRMDKKTTNW-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000431652191 500403637 /nfs/dbraw/zinc/40/36/37/500403637.db2.gz ASJXQRMDKKTTNW-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000576589654 506193770 /nfs/dbraw/zinc/19/37/70/506193770.db2.gz AXMNZVOXRCVSIN-UHFFFAOYSA-N 2 1 351.494 3.277 20 0 FGADMP CC[C@H](C)[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431689311 500409232 /nfs/dbraw/zinc/40/92/32/500409232.db2.gz BKJHDIZCCUXCCM-ZWKOTPCHSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@]1(C(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCCC[NH2+]1 ZINC000423856584 500413206 /nfs/dbraw/zinc/41/32/06/500413206.db2.gz XBPDSJSFMXMMBY-OAQYLSRUSA-N 2 1 355.526 3.033 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431782770 500424432 /nfs/dbraw/zinc/42/44/32/500424432.db2.gz FNQKMHSAIUCVLB-SFHVURJKSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000431796901 500425991 /nfs/dbraw/zinc/42/59/91/500425991.db2.gz VPCPAMDMUSYFLB-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431796901 500425993 /nfs/dbraw/zinc/42/59/93/500425993.db2.gz VPCPAMDMUSYFLB-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431796901 500425996 /nfs/dbraw/zinc/42/59/96/500425996.db2.gz VPCPAMDMUSYFLB-PZJWPPBQSA-N 2 1 357.542 3.374 20 0 FGADMP CC[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[N@@H+](C)Cc1ccccc1 ZINC000423969038 500426361 /nfs/dbraw/zinc/42/63/61/500426361.db2.gz LBLDKPBVKGSTDC-KRWDZBQOSA-N 2 1 372.538 3.459 20 0 FGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301278 500436981 /nfs/dbraw/zinc/43/69/81/500436981.db2.gz IPVQEYQCORIMGR-ROUUACIJSA-N 2 1 352.400 3.068 20 0 FGADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420301278 500436982 /nfs/dbraw/zinc/43/69/82/500436982.db2.gz IPVQEYQCORIMGR-ROUUACIJSA-N 2 1 352.400 3.068 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317023 500440133 /nfs/dbraw/zinc/44/01/33/500440133.db2.gz UHBFRXMNPKBCLC-WBMJQRKESA-N 2 1 356.297 3.160 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317023 500440135 /nfs/dbraw/zinc/44/01/35/500440135.db2.gz UHBFRXMNPKBCLC-WBMJQRKESA-N 2 1 356.297 3.160 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000420321289 500440981 /nfs/dbraw/zinc/44/09/81/500440981.db2.gz RCYNXMGOGNPMJO-LJQANCHMSA-N 2 1 350.466 3.055 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cnn(-c3ccccc3)c2)cc1 ZINC000420321289 500440982 /nfs/dbraw/zinc/44/09/82/500440982.db2.gz RCYNXMGOGNPMJO-LJQANCHMSA-N 2 1 350.466 3.055 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2)C[C@@H]2CCCO2)cc1 ZINC000420323896 500441524 /nfs/dbraw/zinc/44/15/24/500441524.db2.gz UOSQXGXLYAYHCZ-IRLDBZIGSA-N 2 1 354.494 3.419 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2cc(Cl)ccc2Cl)CC12CCOCC2 ZINC000420332546 500443079 /nfs/dbraw/zinc/44/30/79/500443079.db2.gz RVSHZWGKIWFOMC-ZDUSSCGKSA-N 2 1 359.297 3.060 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332526 500443181 /nfs/dbraw/zinc/44/31/81/500443181.db2.gz DCQCFLMNFCMKGG-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332526 500443184 /nfs/dbraw/zinc/44/31/84/500443184.db2.gz DCQCFLMNFCMKGG-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1cccs1 ZINC000420337490 500443720 /nfs/dbraw/zinc/44/37/20/500443720.db2.gz NOWKUNCHTJYXCR-APWZRJJASA-N 2 1 363.571 3.416 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000420336544 500444229 /nfs/dbraw/zinc/44/42/29/500444229.db2.gz VUXHIVCYUMVWJA-CYBMUJFWSA-N 2 1 359.297 3.060 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000420353189 500446253 /nfs/dbraw/zinc/44/62/53/500446253.db2.gz BJBWMCJIOHMYIN-PXNSSMCTSA-N 2 1 371.500 3.255 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420364019 500448549 /nfs/dbraw/zinc/44/85/49/500448549.db2.gz OPQHCUZOWCNRCE-XHDPSFHLSA-N 2 1 358.313 3.148 20 0 FGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1CCCCC1 ZINC000420365114 500448766 /nfs/dbraw/zinc/44/87/66/500448766.db2.gz KUASIDWBPRHEGO-MRXNPFEDSA-N 2 1 368.319 3.275 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401289 500455677 /nfs/dbraw/zinc/45/56/77/500455677.db2.gz PEOZZJCQVREIFO-LRXVAGHRSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401289 500455680 /nfs/dbraw/zinc/45/56/80/500455680.db2.gz PEOZZJCQVREIFO-LRXVAGHRSA-N 2 1 365.521 3.481 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3([NH+]4CCC(OC)CC4)CCCC3)C[C@H]2C1 ZINC000424295735 500482698 /nfs/dbraw/zinc/48/26/98/500482698.db2.gz FLLMQNFICBBEBS-LAGDQHSMSA-N 2 1 350.547 3.203 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424301908 500483778 /nfs/dbraw/zinc/48/37/78/500483778.db2.gz YFZWZFRCXOIELZ-CQSZACIVSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1)CC[NH2+]CC2 ZINC000424371674 500493079 /nfs/dbraw/zinc/49/30/79/500493079.db2.gz DXYSZXUNPCBDQJ-IBGZPJMESA-N 3 1 370.585 3.181 20 0 FGADMP CC(C)c1nnc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000428305364 500493504 /nfs/dbraw/zinc/49/35/04/500493504.db2.gz KCQCCESMQZUIPR-UHFFFAOYSA-N 2 1 353.514 3.416 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)cc1 ZINC000420776444 500497913 /nfs/dbraw/zinc/49/79/13/500497913.db2.gz FTBMQRJJZKXFQJ-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000420776444 500497914 /nfs/dbraw/zinc/49/79/14/500497914.db2.gz FTBMQRJJZKXFQJ-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000420776444 500497917 /nfs/dbraw/zinc/49/79/17/500497917.db2.gz FTBMQRJJZKXFQJ-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)c1 ZINC000424412427 500500183 /nfs/dbraw/zinc/50/01/83/500500183.db2.gz ANNNJOFMTBQIQG-SFHVURJKSA-N 2 1 366.509 3.440 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000420790132 500502081 /nfs/dbraw/zinc/50/20/81/500502081.db2.gz NBKPVVYWHXQIHE-SOAGJPPSSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424427514 500503193 /nfs/dbraw/zinc/50/31/93/500503193.db2.gz PRRUDEXAORDZES-UZLBHIALSA-N 2 1 352.482 3.096 20 0 FGADMP CCC[N@H+](Cc1cc(C)ncn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428408556 500506992 /nfs/dbraw/zinc/50/69/92/500506992.db2.gz YOHXLCBVBMDMOG-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CCC[N@@H+](Cc1cc(C)ncn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000428408556 500506993 /nfs/dbraw/zinc/50/69/93/500506993.db2.gz YOHXLCBVBMDMOG-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CN(C/C=C\c1ccc(F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428432756 500509370 /nfs/dbraw/zinc/50/93/70/500509370.db2.gz RAUWEEFKDIHQDS-HUPBUCHYSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@H+](C/C=C\c1ccc(F)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432756 500509371 /nfs/dbraw/zinc/50/93/71/500509371.db2.gz RAUWEEFKDIHQDS-HUPBUCHYSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@@H+](C/C=C\c1ccc(F)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432756 500509373 /nfs/dbraw/zinc/50/93/73/500509373.db2.gz RAUWEEFKDIHQDS-HUPBUCHYSA-N 2 1 354.469 3.408 20 0 FGADMP C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435595 500510197 /nfs/dbraw/zinc/51/01/97/500510197.db2.gz ZVVAGXUMEXQDIC-YTFSRNRJSA-N 2 1 350.506 3.359 20 0 FGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435595 500510200 /nfs/dbraw/zinc/51/02/00/500510200.db2.gz ZVVAGXUMEXQDIC-YTFSRNRJSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435595 500510203 /nfs/dbraw/zinc/51/02/03/500510203.db2.gz ZVVAGXUMEXQDIC-YTFSRNRJSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435595 500510206 /nfs/dbraw/zinc/51/02/06/500510206.db2.gz ZVVAGXUMEXQDIC-YTFSRNRJSA-N 2 1 350.506 3.359 20 0 FGADMP C[C@@H](NC(=O)NC1CCC([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000420827062 500510545 /nfs/dbraw/zinc/51/05/45/500510545.db2.gz RARHVCPLTBZCON-GJHJYOIJSA-N 2 1 372.557 3.069 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000428473237 500514985 /nfs/dbraw/zinc/51/49/85/500514985.db2.gz LWRWZPVTGBAXNI-GPJHCHHRSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000420898588 500525612 /nfs/dbraw/zinc/52/56/12/500525612.db2.gz ZIYJFRANRTWNAY-BDWAOYLISA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420898592 500525655 /nfs/dbraw/zinc/52/56/55/500525655.db2.gz ZIYJFRANRTWNAY-IGBVOLGGSA-N 2 1 372.557 3.164 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O ZINC000428573631 500528905 /nfs/dbraw/zinc/52/89/05/500528905.db2.gz PFSZBEDRVSDMLD-RTWAWAEBSA-N 2 1 357.473 3.150 20 0 FGADMP C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420922456 500531068 /nfs/dbraw/zinc/53/10/68/500531068.db2.gz OFTDKYASIPDDJH-GCJKJVERSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@@H]1C[C@@H](c2cccnc2)[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420922456 500531071 /nfs/dbraw/zinc/53/10/71/500531071.db2.gz OFTDKYASIPDDJH-GCJKJVERSA-N 2 1 351.494 3.497 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000420931231 500534632 /nfs/dbraw/zinc/53/46/32/500534632.db2.gz GISJMXCDEKONEP-KNQAVFIVSA-N 2 1 371.569 3.261 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000442594250 500602564 /nfs/dbraw/zinc/60/25/64/500602564.db2.gz LQQQQIJKNQMIMQ-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442604695 500604136 /nfs/dbraw/zinc/60/41/36/500604136.db2.gz XMNFEINKOQGKMN-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP CCCCN(C(=O)[C@@H](C)[NH+]1CCSCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000442657475 500609136 /nfs/dbraw/zinc/60/91/36/500609136.db2.gz XRRHCQSGWRJXEN-MRXNPFEDSA-N 2 1 369.619 3.362 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1(C)C ZINC000442890594 500642125 /nfs/dbraw/zinc/64/21/25/500642125.db2.gz PDMZESIJNNVQAO-KRWDZBQOSA-N 2 1 351.922 3.169 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000442926088 500648222 /nfs/dbraw/zinc/64/82/22/500648222.db2.gz XQPDYCLRAAUYNH-GOSISDBHSA-N 2 1 361.493 3.495 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437540734 500658286 /nfs/dbraw/zinc/65/82/86/500658286.db2.gz WEQKPLMVLQITRO-QLOJAFMTSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000442996393 500660565 /nfs/dbraw/zinc/66/05/65/500660565.db2.gz WFCYNUFERHVLKD-QGZVFWFLSA-N 2 1 371.447 3.046 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000442996393 500660566 /nfs/dbraw/zinc/66/05/66/500660566.db2.gz WFCYNUFERHVLKD-QGZVFWFLSA-N 2 1 371.447 3.046 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443054786 500669628 /nfs/dbraw/zinc/66/96/28/500669628.db2.gz AEJUAKIJNCFECX-RCCFBDPRSA-N 2 1 357.542 3.192 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000443075910 500675246 /nfs/dbraw/zinc/67/52/46/500675246.db2.gz RUWILJZSDBOIOX-SNVBAGLBSA-N 2 1 371.304 3.121 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)C1 ZINC000443075910 500675249 /nfs/dbraw/zinc/67/52/49/500675249.db2.gz RUWILJZSDBOIOX-SNVBAGLBSA-N 2 1 371.304 3.121 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079431 500676330 /nfs/dbraw/zinc/67/63/30/500676330.db2.gz ZMWRCDKEIHYBCM-CHWSQXEVSA-N 2 1 358.313 3.231 20 0 FGADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564646 506212408 /nfs/dbraw/zinc/21/24/08/506212408.db2.gz HRVNAXHTILREGU-VQTJNVASSA-N 2 1 351.494 3.482 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000443379931 500716684 /nfs/dbraw/zinc/71/66/84/500716684.db2.gz NMYKKQPAXWFCTL-LJQANCHMSA-N 2 1 360.546 3.423 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141687 500744420 /nfs/dbraw/zinc/74/44/20/500744420.db2.gz KSRAMPPELUTRND-UYAOXDASSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438141687 500744424 /nfs/dbraw/zinc/74/44/24/500744424.db2.gz KSRAMPPELUTRND-UYAOXDASSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438141687 500744427 /nfs/dbraw/zinc/74/44/27/500744427.db2.gz KSRAMPPELUTRND-UYAOXDASSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000438186838 500752019 /nfs/dbraw/zinc/75/20/19/500752019.db2.gz GDLCJQCTASWONB-ZNLUXHQJSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(F)cc1 ZINC000438186838 500752022 /nfs/dbraw/zinc/75/20/22/500752022.db2.gz GDLCJQCTASWONB-ZNLUXHQJSA-N 2 1 356.485 3.402 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(OCc2cccnc2)c1 ZINC000443957044 500783658 /nfs/dbraw/zinc/78/36/58/500783658.db2.gz APUPOVUJDYITEW-QGZVFWFLSA-N 2 1 367.493 3.243 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(OCc2cccnc2)c1 ZINC000443957044 500783662 /nfs/dbraw/zinc/78/36/62/500783662.db2.gz APUPOVUJDYITEW-QGZVFWFLSA-N 2 1 367.493 3.243 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000439180136 500866452 /nfs/dbraw/zinc/86/64/52/500866452.db2.gz AZUSICHGTXZWFJ-AABGKKOBSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@H](C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1 ZINC000434696764 500880510 /nfs/dbraw/zinc/88/05/10/500880510.db2.gz HUAHRPNUTVFEOT-VGOFRKELSA-N 2 1 361.489 3.476 20 0 FGADMP CC(C)[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444751409 500892322 /nfs/dbraw/zinc/89/23/22/500892322.db2.gz OXNIXHBZEMUCPC-OAQYLSRUSA-N 2 1 357.542 3.267 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)n1 ZINC000449082220 500920442 /nfs/dbraw/zinc/92/04/42/500920442.db2.gz LNWFBYLVQMUTOQ-IAGOWNOFSA-N 2 1 354.498 3.253 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCC[C@H]2C)CC1 ZINC000449116595 500928629 /nfs/dbraw/zinc/92/86/29/500928629.db2.gz QABQLIBEKVADCF-AQNXPRMDSA-N 2 1 371.569 3.461 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203608 500946921 /nfs/dbraw/zinc/94/69/21/500946921.db2.gz HMENSNWPWXEHGO-QZTJIDSGSA-N 2 1 366.571 3.151 20 0 FGADMP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372156 500961270 /nfs/dbraw/zinc/96/12/70/500961270.db2.gz IWYRKUVXTWBVOU-QFBILLFUSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OCc1ccccc1 ZINC000435372156 500961274 /nfs/dbraw/zinc/96/12/74/500961274.db2.gz IWYRKUVXTWBVOU-QFBILLFUSA-N 2 1 370.493 3.452 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H]([NH3+])[C@@H](C)C4)cc3)nc12 ZINC000435376684 500963061 /nfs/dbraw/zinc/96/30/61/500963061.db2.gz SYNKWYHXXOCMAK-UWJYYQICSA-N 2 1 364.493 3.391 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@H](C[NH3+])C4)cc3)nc12 ZINC000435388472 500965815 /nfs/dbraw/zinc/96/58/15/500965815.db2.gz HEJTVJULOQLKOU-GOSISDBHSA-N 3 1 350.466 3.002 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000449283364 500966037 /nfs/dbraw/zinc/96/60/37/500966037.db2.gz LMOLOPMQHQPPQT-LEWJYISDSA-N 2 1 373.585 3.173 20 0 FGADMP O=c1[nH]c2ccccc2cc1C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435390863 500966889 /nfs/dbraw/zinc/96/68/89/500966889.db2.gz QOVFGYCLFUTAAU-FQEVSTJZSA-N 2 1 362.477 3.480 20 0 FGADMP O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435390863 500966892 /nfs/dbraw/zinc/96/68/92/500966892.db2.gz QOVFGYCLFUTAAU-FQEVSTJZSA-N 2 1 362.477 3.480 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435396074 500967635 /nfs/dbraw/zinc/96/76/35/500967635.db2.gz WMGAGWHOCANQQM-GOSISDBHSA-N 2 1 370.493 3.454 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435396074 500967639 /nfs/dbraw/zinc/96/76/39/500967639.db2.gz WMGAGWHOCANQQM-GOSISDBHSA-N 2 1 370.493 3.454 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C[C@@H]1C ZINC000440185764 500985133 /nfs/dbraw/zinc/98/51/33/500985133.db2.gz LACZOBMNIDPUIR-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C[C@@H]1C ZINC000440185764 500985134 /nfs/dbraw/zinc/98/51/34/500985134.db2.gz LACZOBMNIDPUIR-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C[C@@H]1C ZINC000440185764 500985137 /nfs/dbraw/zinc/98/51/37/500985137.db2.gz LACZOBMNIDPUIR-FHWLQOOXSA-N 2 1 352.567 3.011 20 0 FGADMP COc1ccc(OCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435616475 501002675 /nfs/dbraw/zinc/00/26/75/501002675.db2.gz MECKZVLMXQSRCH-LJQANCHMSA-N 2 1 355.482 3.113 20 0 FGADMP COc1ccc(OCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435616475 501002676 /nfs/dbraw/zinc/00/26/76/501002676.db2.gz MECKZVLMXQSRCH-LJQANCHMSA-N 2 1 355.482 3.113 20 0 FGADMP COC[C@@H](C[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc(Cl)cc1 ZINC000449482366 501013449 /nfs/dbraw/zinc/01/34/49/501013449.db2.gz YDZAZMMSGLVKCH-CQSZACIVSA-N 2 1 353.919 3.378 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC1 ZINC000449492003 501016732 /nfs/dbraw/zinc/01/67/32/501016732.db2.gz BAKFSEFEWFVSIZ-LJQANCHMSA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC1 ZINC000449492003 501016735 /nfs/dbraw/zinc/01/67/35/501016735.db2.gz BAKFSEFEWFVSIZ-LJQANCHMSA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000449492003 501016738 /nfs/dbraw/zinc/01/67/38/501016738.db2.gz BAKFSEFEWFVSIZ-LJQANCHMSA-N 2 1 363.571 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000449492003 501016741 /nfs/dbraw/zinc/01/67/41/501016741.db2.gz BAKFSEFEWFVSIZ-LJQANCHMSA-N 2 1 363.571 3.131 20 0 FGADMP Cc1ncsc1C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CC[NH2+]C1 ZINC000435737379 501020991 /nfs/dbraw/zinc/02/09/91/501020991.db2.gz HOSRAAWPQKGQGK-QGZVFWFLSA-N 2 1 357.523 3.041 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000449578844 501036753 /nfs/dbraw/zinc/03/67/53/501036753.db2.gz SCJVJHLGNYRXJT-CNNODRBYSA-N 2 1 371.569 3.367 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000441015955 501075995 /nfs/dbraw/zinc/07/59/95/501075995.db2.gz ZNAXIEBNKFGEKU-LJQANCHMSA-N 2 1 364.578 3.064 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449770785 501082703 /nfs/dbraw/zinc/08/27/03/501082703.db2.gz IZIXXEFORFGIFW-KCLUMXDGSA-N 2 1 368.525 3.140 20 0 FGADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000446464987 501123219 /nfs/dbraw/zinc/12/32/19/501123219.db2.gz SXNCCYFDBSRVLG-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)[nH+]c1 ZINC000449930998 501129169 /nfs/dbraw/zinc/12/91/69/501129169.db2.gz XIVXQXIAGCERDQ-HXUWFJFHSA-N 2 1 370.541 3.272 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@H]3CCCC[N@H+]3C3CCCC3)CC2)[nH+]c1 ZINC000449930998 501129173 /nfs/dbraw/zinc/12/91/73/501129173.db2.gz XIVXQXIAGCERDQ-HXUWFJFHSA-N 2 1 370.541 3.272 20 0 FGADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472407 501129864 /nfs/dbraw/zinc/12/98/64/501129864.db2.gz FKVHTBSSIXNHHY-SRYPRDQNSA-N 2 1 374.569 3.362 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000446615424 501141582 /nfs/dbraw/zinc/14/15/82/501141582.db2.gz NNCQRTTUXNZEPF-HNNXBMFYSA-N 2 1 355.486 3.025 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000450062650 501169115 /nfs/dbraw/zinc/16/91/15/501169115.db2.gz VEUPUFJIXSHKIC-IRFCIJBXSA-N 2 1 361.574 3.077 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453076661 501263863 /nfs/dbraw/zinc/26/38/63/501263863.db2.gz JLUFASMJOVXYRX-IBGZPJMESA-N 2 1 369.557 3.155 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453083733 501265275 /nfs/dbraw/zinc/26/52/75/501265275.db2.gz GHGYGSOKLWPCGD-PMXSJFBMSA-N 2 1 355.526 3.030 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1[nH]ccc1C1CC1 ZINC000457632624 501272640 /nfs/dbraw/zinc/27/26/40/501272640.db2.gz OCWNOBFPJALKPL-UHFFFAOYSA-N 2 1 372.557 3.160 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453120979 501273519 /nfs/dbraw/zinc/27/35/19/501273519.db2.gz KMOFODZGVSRKCS-BJESRGMDSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453148034 501279338 /nfs/dbraw/zinc/27/93/38/501279338.db2.gz QKLCQPUIWVCPOX-PNJWGLBASA-N 2 1 371.569 3.130 20 0 FGADMP COC1([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254637 501300978 /nfs/dbraw/zinc/30/09/78/501300978.db2.gz PJPKYSDLQCPVOZ-TZIWHRDSSA-N 2 1 360.542 3.462 20 0 FGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254629 501301102 /nfs/dbraw/zinc/30/11/02/501301102.db2.gz PJPKYSDLQCPVOZ-CTNGQTDRSA-N 2 1 360.542 3.462 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525285 501312956 /nfs/dbraw/zinc/31/29/56/501312956.db2.gz AMMWEZRLPHHFLJ-NFBKMPQASA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525285 501312957 /nfs/dbraw/zinc/31/29/57/501312957.db2.gz AMMWEZRLPHHFLJ-NFBKMPQASA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525285 501312958 /nfs/dbraw/zinc/31/29/58/501312958.db2.gz AMMWEZRLPHHFLJ-NFBKMPQASA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H]3CCCc4ccccc43)C2)CC1 ZINC000451525285 501312960 /nfs/dbraw/zinc/31/29/60/501312960.db2.gz AMMWEZRLPHHFLJ-NFBKMPQASA-N 2 1 369.553 3.330 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000455477661 501313511 /nfs/dbraw/zinc/31/35/11/501313511.db2.gz UMKKZXUZJVIRAE-ROUUACIJSA-N 2 1 369.513 3.270 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530044 501314113 /nfs/dbraw/zinc/31/41/13/501314113.db2.gz OMAMRFVZZQRABA-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530044 501314118 /nfs/dbraw/zinc/31/41/18/501314118.db2.gz OMAMRFVZZQRABA-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530044 501314122 /nfs/dbraw/zinc/31/41/22/501314122.db2.gz OMAMRFVZZQRABA-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000451530044 501314124 /nfs/dbraw/zinc/31/41/24/501314124.db2.gz OMAMRFVZZQRABA-HSZRJFAPSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCCc3ccccc3)C2)CC1 ZINC000451535240 501315854 /nfs/dbraw/zinc/31/58/54/501315854.db2.gz ZMLGEXLEKFQSBL-QHCPKHFHSA-N 2 1 371.569 3.276 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCCc3ccccc3)C2)CC1 ZINC000451535240 501315856 /nfs/dbraw/zinc/31/58/56/501315856.db2.gz ZMLGEXLEKFQSBL-QHCPKHFHSA-N 2 1 371.569 3.276 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCCc3ccccc3)C2)CC1 ZINC000451535240 501315858 /nfs/dbraw/zinc/31/58/58/501315858.db2.gz ZMLGEXLEKFQSBL-QHCPKHFHSA-N 2 1 371.569 3.276 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC000451535240 501315860 /nfs/dbraw/zinc/31/58/60/501315860.db2.gz ZMLGEXLEKFQSBL-QHCPKHFHSA-N 2 1 371.569 3.276 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2cc(F)cc(OC)c2)[C@@H](C)C1 ZINC000453414386 501326694 /nfs/dbraw/zinc/32/66/94/501326694.db2.gz YSIZBFRXURTXOM-FVJLSDCUSA-N 2 1 366.521 3.492 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134060 501377545 /nfs/dbraw/zinc/37/75/45/501377545.db2.gz HSSYSTILSKRQMI-LEWJYISDSA-N 2 1 372.557 3.256 20 0 FGADMP C[C@H]1CC=C(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000455902018 501411047 /nfs/dbraw/zinc/41/10/47/501411047.db2.gz PDYBXIUCRNBMQG-SFHVURJKSA-N 2 1 361.574 3.388 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1F ZINC000458282316 501411197 /nfs/dbraw/zinc/41/11/97/501411197.db2.gz ICZFXUFDQIBVGR-IBGZPJMESA-N 2 1 359.445 3.008 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458486393 501455585 /nfs/dbraw/zinc/45/55/85/501455585.db2.gz GPKCAXLTPUEFDT-AZUAARDMSA-N 2 1 374.573 3.459 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505988 501461127 /nfs/dbraw/zinc/46/11/27/501461127.db2.gz NGJGPTOUIHSMFP-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505988 501461131 /nfs/dbraw/zinc/46/11/31/501461131.db2.gz NGJGPTOUIHSMFP-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505988 501461132 /nfs/dbraw/zinc/46/11/32/501461132.db2.gz NGJGPTOUIHSMFP-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH2+][C@@H](C)c1ccccc1 ZINC000458555124 501473097 /nfs/dbraw/zinc/47/30/97/501473097.db2.gz LZPFAAHULZYSNT-MJUUVYJYSA-N 2 1 372.557 3.097 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000458785436 501531109 /nfs/dbraw/zinc/53/11/09/501531109.db2.gz WMROUIWHIMNIFE-BJLQDIEVSA-N 2 1 360.546 3.017 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454481176 501556270 /nfs/dbraw/zinc/55/62/70/501556270.db2.gz IECQOOAVENSUBO-KRWDZBQOSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000454481772 501556499 /nfs/dbraw/zinc/55/64/99/501556499.db2.gz IMCFFSYQSKKCOT-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+](C)C2CC2)C1 ZINC000454481772 501556501 /nfs/dbraw/zinc/55/65/01/501556501.db2.gz IMCFFSYQSKKCOT-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+](C)C2CC2)C1 ZINC000454481772 501556503 /nfs/dbraw/zinc/55/65/03/501556503.db2.gz IMCFFSYQSKKCOT-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000459254097 501619538 /nfs/dbraw/zinc/61/95/38/501619538.db2.gz HQPJESQAKQIILY-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000459254097 501619539 /nfs/dbraw/zinc/61/95/39/501619539.db2.gz HQPJESQAKQIILY-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP C[NH+]1CCC[C@H](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000459254097 501619541 /nfs/dbraw/zinc/61/95/41/501619541.db2.gz HQPJESQAKQIILY-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc(Cl)c1O ZINC000459340657 501635149 /nfs/dbraw/zinc/63/51/49/501635149.db2.gz NFBXSRQCQVZOCX-MRXNPFEDSA-N 2 1 370.921 3.377 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc(Cl)c1O ZINC000459340657 501635151 /nfs/dbraw/zinc/63/51/51/501635151.db2.gz NFBXSRQCQVZOCX-MRXNPFEDSA-N 2 1 370.921 3.377 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824984 501637973 /nfs/dbraw/zinc/63/79/73/501637973.db2.gz SLLKGQOSZDLZPK-LZQZEXGQSA-N 2 1 367.497 3.099 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357337 501638179 /nfs/dbraw/zinc/63/81/79/501638179.db2.gz CUJBKQICJHYNAI-VQTJNVASSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357337 501638180 /nfs/dbraw/zinc/63/81/80/501638180.db2.gz CUJBKQICJHYNAI-VQTJNVASSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000457200759 501664173 /nfs/dbraw/zinc/66/41/73/501664173.db2.gz LZBPBPDFKBXPTA-LJQANCHMSA-N 2 1 371.569 3.320 20 0 FGADMP CN(c1ccccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](C)CC1 ZINC000459745858 501707727 /nfs/dbraw/zinc/70/77/27/501707727.db2.gz YOEKTFJGKCQHJX-LJQANCHMSA-N 3 1 358.574 3.039 20 0 FGADMP C[C@@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459772500 501711950 /nfs/dbraw/zinc/71/19/50/501711950.db2.gz OHUUUXKBAIYPIX-YLJYHZDGSA-N 2 1 355.526 3.078 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1I ZINC000467373200 501779792 /nfs/dbraw/zinc/77/97/92/501779792.db2.gz KDMSIPYXOUPOIX-DOMZBBRYSA-N 2 1 358.267 3.029 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000460248189 501770440 /nfs/dbraw/zinc/77/04/40/501770440.db2.gz SMGDKGYYGDBVSQ-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000467369502 501778537 /nfs/dbraw/zinc/77/85/37/501778537.db2.gz ZAABKNLYSOMRBX-JLLPCOHGSA-N 2 1 364.533 3.399 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467374557 501779706 /nfs/dbraw/zinc/77/97/06/501779706.db2.gz YFJPKFQXQBMIGR-YSFPZDHXSA-N 2 1 372.553 3.054 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000467374557 501779709 /nfs/dbraw/zinc/77/97/09/501779709.db2.gz YFJPKFQXQBMIGR-YSFPZDHXSA-N 2 1 372.553 3.054 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000474314822 501787858 /nfs/dbraw/zinc/78/78/58/501787858.db2.gz UALIEWZBYCHESF-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000474314822 501787864 /nfs/dbraw/zinc/78/78/64/501787864.db2.gz UALIEWZBYCHESF-SFTDATJTSA-N 2 1 373.516 3.267 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](c2ccco2)C1 ZINC000460394890 501813499 /nfs/dbraw/zinc/81/34/99/501813499.db2.gz PVMCAIVFGRXMAQ-MISYRCLQSA-N 2 1 369.509 3.472 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](c2ccco2)C1 ZINC000460394890 501813502 /nfs/dbraw/zinc/81/35/02/501813502.db2.gz PVMCAIVFGRXMAQ-MISYRCLQSA-N 2 1 369.509 3.472 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485417638 501815711 /nfs/dbraw/zinc/81/57/11/501815711.db2.gz WZKAOBYRWQLWRR-DXIQSLLYSA-N 2 1 365.521 3.192 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485417638 501815717 /nfs/dbraw/zinc/81/57/17/501815717.db2.gz WZKAOBYRWQLWRR-DXIQSLLYSA-N 2 1 365.521 3.192 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000485426595 501817894 /nfs/dbraw/zinc/81/78/94/501817894.db2.gz QFRZSHJWMKSJLA-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000485426595 501817898 /nfs/dbraw/zinc/81/78/98/501817898.db2.gz QFRZSHJWMKSJLA-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000485426595 501817900 /nfs/dbraw/zinc/81/79/00/501817900.db2.gz QFRZSHJWMKSJLA-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1Cl ZINC000485425391 501818077 /nfs/dbraw/zinc/81/80/77/501818077.db2.gz DJWOXOWULHGHPY-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1Cl ZINC000485425391 501818078 /nfs/dbraw/zinc/81/80/78/501818078.db2.gz DJWOXOWULHGHPY-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000485425391 501818079 /nfs/dbraw/zinc/81/80/79/501818079.db2.gz DJWOXOWULHGHPY-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428178 501818428 /nfs/dbraw/zinc/81/84/28/501818428.db2.gz BGQFDLQJGQCFMD-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428178 501818435 /nfs/dbraw/zinc/81/84/35/501818435.db2.gz BGQFDLQJGQCFMD-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428178 501818441 /nfs/dbraw/zinc/81/84/41/501818441.db2.gz BGQFDLQJGQCFMD-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485464837 501828416 /nfs/dbraw/zinc/82/84/16/501828416.db2.gz IZAHFUIWPRBPMB-OAQYLSRUSA-N 2 1 360.542 3.008 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467749568 501860482 /nfs/dbraw/zinc/86/04/82/501860482.db2.gz OZLPRFPPVXEVRS-CYBMUJFWSA-N 2 1 364.481 3.230 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467752820 501861445 /nfs/dbraw/zinc/86/14/45/501861445.db2.gz MIPKGLKPCVKPQY-LBPRGKRZSA-N 2 1 364.481 3.086 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000470974845 501878758 /nfs/dbraw/zinc/87/87/58/501878758.db2.gz FIHPUQYOVGYTOS-RTWAWAEBSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000470974845 501878762 /nfs/dbraw/zinc/87/87/62/501878762.db2.gz FIHPUQYOVGYTOS-RTWAWAEBSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974845 501878763 /nfs/dbraw/zinc/87/87/63/501878763.db2.gz FIHPUQYOVGYTOS-RTWAWAEBSA-N 2 1 360.542 3.015 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000470974845 501878766 /nfs/dbraw/zinc/87/87/66/501878766.db2.gz FIHPUQYOVGYTOS-RTWAWAEBSA-N 2 1 360.542 3.015 20 0 FGADMP O[C@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000464068477 501889555 /nfs/dbraw/zinc/88/95/55/501889555.db2.gz XLRDQJRUYMYKGT-ABHNRTSZSA-N 2 1 356.432 3.334 20 0 FGADMP O[C@]1(C[NH2+]C2CCC(C(F)(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000464068477 501889560 /nfs/dbraw/zinc/88/95/60/501889560.db2.gz XLRDQJRUYMYKGT-ABHNRTSZSA-N 2 1 356.432 3.334 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000481952351 501927259 /nfs/dbraw/zinc/92/72/59/501927259.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000481952351 501927265 /nfs/dbraw/zinc/92/72/65/501927265.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000481952351 501927271 /nfs/dbraw/zinc/92/72/71/501927271.db2.gz ULHJETRTXULICO-BAGYTPMASA-N 2 1 361.574 3.324 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468023130 501932259 /nfs/dbraw/zinc/93/22/59/501932259.db2.gz WCLBESKKHJAIEQ-AZUAARDMSA-N 2 1 360.546 3.099 20 0 FGADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468028998 501934186 /nfs/dbraw/zinc/93/41/86/501934186.db2.gz XNVFQUGJZBUYEU-DFQSSKMNSA-N 2 1 360.546 3.145 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cccc(Cl)c1 ZINC000460917061 501958998 /nfs/dbraw/zinc/95/89/98/501958998.db2.gz ZNNWGWHTAXLSJI-VQIMIIECSA-N 2 1 365.949 3.318 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000468111900 501961170 /nfs/dbraw/zinc/96/11/70/501961170.db2.gz ACNICWCEVDTNBF-MJGOQNOKSA-N 2 1 354.498 3.348 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468111900 501961173 /nfs/dbraw/zinc/96/11/73/501961173.db2.gz ACNICWCEVDTNBF-MJGOQNOKSA-N 2 1 354.498 3.348 20 0 FGADMP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475010109 502021171 /nfs/dbraw/zinc/02/11/71/502021171.db2.gz NAVFQIYKPYVOMT-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H](C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000475033794 502028428 /nfs/dbraw/zinc/02/84/28/502028428.db2.gz SJABYYTVKBHVLN-WIYYLYMNSA-N 2 1 353.510 3.141 20 0 FGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468413443 502051880 /nfs/dbraw/zinc/05/18/80/502051880.db2.gz VUGHEEMGTSPCGJ-TZIWHRDSSA-N 2 1 359.558 3.323 20 0 FGADMP CCCCOc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468413443 502051894 /nfs/dbraw/zinc/05/18/94/502051894.db2.gz VUGHEEMGTSPCGJ-TZIWHRDSSA-N 2 1 359.558 3.323 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475106673 502061252 /nfs/dbraw/zinc/06/12/52/502061252.db2.gz BTMPVCFFXXAEHM-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475129610 502071192 /nfs/dbraw/zinc/07/11/92/502071192.db2.gz KHKDEOIMWJBTJH-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475129610 502071195 /nfs/dbraw/zinc/07/11/95/502071195.db2.gz KHKDEOIMWJBTJH-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475129610 502071201 /nfs/dbraw/zinc/07/12/01/502071201.db2.gz KHKDEOIMWJBTJH-DYXWJJEUSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000482475818 502080847 /nfs/dbraw/zinc/08/08/47/502080847.db2.gz DCZREIYXLMUTLH-LJQANCHMSA-N 2 1 371.550 3.450 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168923 502088850 /nfs/dbraw/zinc/08/88/50/502088850.db2.gz BBVWBZDFUUMLDM-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475168923 502088854 /nfs/dbraw/zinc/08/88/54/502088854.db2.gz BBVWBZDFUUMLDM-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475168923 502088860 /nfs/dbraw/zinc/08/88/60/502088860.db2.gz BBVWBZDFUUMLDM-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556305 502109952 /nfs/dbraw/zinc/10/99/52/502109952.db2.gz JMSMHCJBYNDNFG-FUHWJXTLSA-N 2 1 351.922 3.358 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000482559201 502110296 /nfs/dbraw/zinc/11/02/96/502110296.db2.gz VTKXFVXVDORZFW-TZMCWYRMSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)c(Cl)c1 ZINC000482559201 502110299 /nfs/dbraw/zinc/11/02/99/502110299.db2.gz VTKXFVXVDORZFW-TZMCWYRMSA-N 2 1 358.313 3.231 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000461467841 502125809 /nfs/dbraw/zinc/12/58/09/502125809.db2.gz VQXLFNHWTVYABB-UNMCSNQZSA-N 2 1 369.553 3.279 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000478967187 502131411 /nfs/dbraw/zinc/13/14/11/502131411.db2.gz UMUCGYXBJVXXNU-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471866975 502159072 /nfs/dbraw/zinc/15/90/72/502159072.db2.gz YPYYDTLXNFSDGX-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471866975 502159074 /nfs/dbraw/zinc/15/90/74/502159074.db2.gz YPYYDTLXNFSDGX-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471866975 502159079 /nfs/dbraw/zinc/15/90/79/502159079.db2.gz YPYYDTLXNFSDGX-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH2+]Cc1ccc([S@@](C)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486557880 502189037 /nfs/dbraw/zinc/18/90/37/502189037.db2.gz AAUVKPMNHLEJIA-APJQNUAFSA-N 2 1 356.535 3.424 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000461801087 502207546 /nfs/dbraw/zinc/20/75/46/502207546.db2.gz LEQAPFDGLCLHIB-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000461801087 502207551 /nfs/dbraw/zinc/20/75/51/502207551.db2.gz LEQAPFDGLCLHIB-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000461801087 502207557 /nfs/dbraw/zinc/20/75/57/502207557.db2.gz LEQAPFDGLCLHIB-FPOVZHCZSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000479280023 502213622 /nfs/dbraw/zinc/21/36/22/502213622.db2.gz JBOCCYWFTXSYID-XWTMOSNGSA-N 2 1 364.534 3.271 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000482921702 502217142 /nfs/dbraw/zinc/21/71/42/502217142.db2.gz UMAKEDWEBNGOBX-HXUWFJFHSA-N 2 1 361.505 3.342 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000482921702 502217148 /nfs/dbraw/zinc/21/71/48/502217148.db2.gz UMAKEDWEBNGOBX-HXUWFJFHSA-N 2 1 361.505 3.342 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000482943911 502223278 /nfs/dbraw/zinc/22/32/78/502223278.db2.gz FXEDMXGCOFUTGC-QUCCMNQESA-N 2 1 366.509 3.219 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000472112309 502236630 /nfs/dbraw/zinc/23/66/30/502236630.db2.gz GSOIZLXGKDQBAH-IBGZPJMESA-N 2 1 352.567 3.158 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000472114643 502237395 /nfs/dbraw/zinc/23/73/95/502237395.db2.gz GOSAIUIBAIPQJE-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483000174 502240893 /nfs/dbraw/zinc/24/08/93/502240893.db2.gz UHKNDYMXRHAXTC-LJQANCHMSA-N 2 1 366.594 3.451 20 0 FGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+](CC)CC ZINC000462008751 502271806 /nfs/dbraw/zinc/27/18/06/502271806.db2.gz IGZPWPGUISSRMJ-NRFANRHFSA-N 2 1 359.558 3.274 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1)CC1CC1 ZINC000602797130 506303938 /nfs/dbraw/zinc/30/39/38/506303938.db2.gz IAKHOFQNWDGUJU-HNNXBMFYSA-N 2 1 363.502 3.356 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1)CC1CC1 ZINC000602797130 506303940 /nfs/dbraw/zinc/30/39/40/506303940.db2.gz IAKHOFQNWDGUJU-HNNXBMFYSA-N 2 1 363.502 3.356 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@@H](c4ccccc4)C3)cn2)CC1 ZINC000486896880 502297007 /nfs/dbraw/zinc/29/70/07/502297007.db2.gz MJPWKTSKFNKLRP-NHCUHLMSSA-N 2 1 365.525 3.044 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000465545165 502300676 /nfs/dbraw/zinc/30/06/76/502300676.db2.gz BMIPOEZOIPBTCY-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545165 502300680 /nfs/dbraw/zinc/30/06/80/502300680.db2.gz BMIPOEZOIPBTCY-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545165 502300686 /nfs/dbraw/zinc/30/06/86/502300686.db2.gz BMIPOEZOIPBTCY-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)cc1)C1CC1 ZINC000479591476 502309435 /nfs/dbraw/zinc/30/94/35/502309435.db2.gz WSSNGRAWGBRVPC-KRWDZBQOSA-N 2 1 357.542 3.473 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000465584508 502316169 /nfs/dbraw/zinc/31/61/69/502316169.db2.gz DOAVLXARLCFVGA-UXHICEINSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487037740 502338072 /nfs/dbraw/zinc/33/80/72/502338072.db2.gz ROLCXHWICBQVMV-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487037740 502338078 /nfs/dbraw/zinc/33/80/78/502338078.db2.gz ROLCXHWICBQVMV-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487037740 502338082 /nfs/dbraw/zinc/33/80/82/502338082.db2.gz ROLCXHWICBQVMV-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000465653696 502338146 /nfs/dbraw/zinc/33/81/46/502338146.db2.gz FWJRXIHISBQRRT-QUCCMNQESA-N 2 1 360.546 3.114 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000479689914 502345573 /nfs/dbraw/zinc/34/55/73/502345573.db2.gz RCVBPXWQVWEWOY-UHFFFAOYSA-N 2 1 368.319 3.018 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000465747693 502369214 /nfs/dbraw/zinc/36/92/14/502369214.db2.gz HNCILGIWFXBYBL-WIYYLYMNSA-N 2 1 372.557 3.243 20 0 FGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC000469370574 502388973 /nfs/dbraw/zinc/38/89/73/502388973.db2.gz BNOHPJLKVCXXAK-OAQYLSRUSA-N 2 1 359.558 3.477 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433404 502390786 /nfs/dbraw/zinc/39/07/86/502390786.db2.gz MSEZSIREMDLNAF-HFTRVMKXSA-N 2 1 366.347 3.348 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[C@@H]1n1ccnc1 ZINC000469383454 502394024 /nfs/dbraw/zinc/39/40/24/502394024.db2.gz IUMMAIYLGNZEQB-JLSDUUJJSA-N 2 1 360.889 3.249 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000476141255 502396129 /nfs/dbraw/zinc/39/61/29/502396129.db2.gz IBCALWKTOWYQAW-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000476141255 502396131 /nfs/dbraw/zinc/39/61/31/502396131.db2.gz IBCALWKTOWYQAW-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483490750 502409094 /nfs/dbraw/zinc/40/90/94/502409094.db2.gz OOJHFDIXRYFEMA-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483490750 502409099 /nfs/dbraw/zinc/40/90/99/502409099.db2.gz OOJHFDIXRYFEMA-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483490750 502409105 /nfs/dbraw/zinc/40/91/05/502409105.db2.gz OOJHFDIXRYFEMA-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483490750 502409110 /nfs/dbraw/zinc/40/91/10/502409110.db2.gz OOJHFDIXRYFEMA-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483490751 502409362 /nfs/dbraw/zinc/40/93/62/502409362.db2.gz OOJHFDIXRYFEMA-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483490751 502409368 /nfs/dbraw/zinc/40/93/68/502409368.db2.gz OOJHFDIXRYFEMA-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483490751 502409369 /nfs/dbraw/zinc/40/93/69/502409369.db2.gz OOJHFDIXRYFEMA-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483490751 502409375 /nfs/dbraw/zinc/40/93/75/502409375.db2.gz OOJHFDIXRYFEMA-HJNYFJLDSA-N 2 1 369.553 3.374 20 0 FGADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493985 502410723 /nfs/dbraw/zinc/41/07/23/502410723.db2.gz SRRMCTMQSRPGLK-FGZHOGPDSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493985 502410729 /nfs/dbraw/zinc/41/07/29/502410729.db2.gz SRRMCTMQSRPGLK-FGZHOGPDSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000483493985 502410734 /nfs/dbraw/zinc/41/07/34/502410734.db2.gz SRRMCTMQSRPGLK-FGZHOGPDSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000483493985 502410737 /nfs/dbraw/zinc/41/07/37/502410737.db2.gz SRRMCTMQSRPGLK-FGZHOGPDSA-N 2 1 352.526 3.486 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435557 502416246 /nfs/dbraw/zinc/41/62/46/502416246.db2.gz CWZJDGCRGMLPAB-RTWAWAEBSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558507 502432189 /nfs/dbraw/zinc/43/21/89/502432189.db2.gz JIGPKKFTJBXAHI-NJDAHSKKSA-N 2 1 357.542 3.086 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+](CCC[NH3+])Cc3ccccc3)cc2)no1 ZINC000479967947 502432349 /nfs/dbraw/zinc/43/23/49/502432349.db2.gz YSXJYDRTAXDAQS-UHFFFAOYSA-N 2 1 366.465 3.308 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000466041099 502463195 /nfs/dbraw/zinc/46/31/95/502463195.db2.gz WCLCCOBXBDDQDV-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000466041099 502463200 /nfs/dbraw/zinc/46/32/00/502463200.db2.gz WCLCCOBXBDDQDV-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466041099 502463206 /nfs/dbraw/zinc/46/32/06/502463206.db2.gz WCLCCOBXBDDQDV-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1C ZINC000483699166 502467547 /nfs/dbraw/zinc/46/75/47/502467547.db2.gz ZBNDUNDKBTWDIL-XSYGEPLQSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756146 502484433 /nfs/dbraw/zinc/48/44/33/502484433.db2.gz CFWQOAOELZCMNV-JYRKZWEQSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756146 502484438 /nfs/dbraw/zinc/48/44/38/502484438.db2.gz CFWQOAOELZCMNV-JYRKZWEQSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756146 502484441 /nfs/dbraw/zinc/48/44/41/502484441.db2.gz CFWQOAOELZCMNV-JYRKZWEQSA-N 2 1 372.557 3.336 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756148 502484965 /nfs/dbraw/zinc/48/49/65/502484965.db2.gz CFWQOAOELZCMNV-UKAVVXHISA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756148 502484971 /nfs/dbraw/zinc/48/49/71/502484971.db2.gz CFWQOAOELZCMNV-UKAVVXHISA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C[C@H]1C ZINC000483756148 502484976 /nfs/dbraw/zinc/48/49/76/502484976.db2.gz CFWQOAOELZCMNV-UKAVVXHISA-N 2 1 372.557 3.336 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000466147888 502489354 /nfs/dbraw/zinc/48/93/54/502489354.db2.gz YRJNABKCMWEDMZ-QUCCMNQESA-N 2 1 360.546 3.067 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000472988654 502492251 /nfs/dbraw/zinc/49/22/51/502492251.db2.gz VUHFDFKUTDWBMM-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008198 502498701 /nfs/dbraw/zinc/49/87/01/502498701.db2.gz ILWVBCWLLWXCEE-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000462639673 502517761 /nfs/dbraw/zinc/51/77/61/502517761.db2.gz IKAQVCHGWKJFQS-QHCPKHFHSA-N 2 1 363.505 3.144 20 0 FGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1C ZINC000473131351 502524164 /nfs/dbraw/zinc/52/41/64/502524164.db2.gz GLXRYGVDRFWZTO-VGOFRKELSA-N 2 1 354.542 3.243 20 0 FGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1C ZINC000473131351 502524167 /nfs/dbraw/zinc/52/41/67/502524167.db2.gz GLXRYGVDRFWZTO-VGOFRKELSA-N 2 1 354.542 3.243 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)[C@@H](C)C1 ZINC000469771017 502539072 /nfs/dbraw/zinc/53/90/72/502539072.db2.gz XNCDKLSBHOOFHM-BJLQDIEVSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)[C@@H](C)C1 ZINC000469771017 502539077 /nfs/dbraw/zinc/53/90/77/502539077.db2.gz XNCDKLSBHOOFHM-BJLQDIEVSA-N 2 1 361.530 3.049 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822825 502540359 /nfs/dbraw/zinc/54/03/59/502540359.db2.gz QGQATSULXOCEFY-LWYYNNOASA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822825 502540366 /nfs/dbraw/zinc/54/03/66/502540366.db2.gz QGQATSULXOCEFY-LWYYNNOASA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@@H](C)C1 ZINC000487822825 502540374 /nfs/dbraw/zinc/54/03/74/502540374.db2.gz QGQATSULXOCEFY-LWYYNNOASA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487889868 502557969 /nfs/dbraw/zinc/55/79/69/502557969.db2.gz AKAXBQUETVBPTI-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)Nc2cccnc2)CC1)CC1CC1 ZINC000484054140 502558369 /nfs/dbraw/zinc/55/83/69/502558369.db2.gz CLWQSVUBTXTFGG-UHFFFAOYSA-N 2 1 358.530 3.244 20 0 FGADMP CCOc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc(Cl)c1OC ZINC000469852717 502568359 /nfs/dbraw/zinc/56/83/59/502568359.db2.gz QLCIUTGFATZVQH-UHFFFAOYSA-N 2 1 356.894 3.077 20 0 FGADMP Cc1cc2cc(C[N@H+]3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)oc2cc1C ZINC000469857796 502570871 /nfs/dbraw/zinc/57/08/71/502570871.db2.gz XRXZFHNYKWVTPJ-XLIONFOSSA-N 2 1 369.509 3.130 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCOc1ccc(C(F)(F)F)cn1 ZINC000480476734 502578786 /nfs/dbraw/zinc/57/87/86/502578786.db2.gz PDLHXILAEGPXSS-UHFFFAOYSA-N 2 1 354.376 3.120 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814601 502585255 /nfs/dbraw/zinc/58/52/55/502585255.db2.gz VHOZJGBWKLPKCT-PXNSSMCTSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814601 502585261 /nfs/dbraw/zinc/58/52/61/502585261.db2.gz VHOZJGBWKLPKCT-PXNSSMCTSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785877 502585698 /nfs/dbraw/zinc/58/56/98/502585698.db2.gz BIVSGRWWPUUECI-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000476785877 502585704 /nfs/dbraw/zinc/58/57/04/502585704.db2.gz BIVSGRWWPUUECI-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476785877 502585707 /nfs/dbraw/zinc/58/57/07/502585707.db2.gz BIVSGRWWPUUECI-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476785877 502585709 /nfs/dbraw/zinc/58/57/09/502585709.db2.gz BIVSGRWWPUUECI-XUVXKRRUSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1nc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cs1 ZINC000462885928 502614623 /nfs/dbraw/zinc/61/46/23/502614623.db2.gz WMYPLEPCJCTOLU-OXQOHEQNSA-N 2 1 358.555 3.481 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000469980146 502616372 /nfs/dbraw/zinc/61/63/72/502616372.db2.gz BEMMNICTZMTFLS-ICSUOEFDSA-N 2 1 364.505 3.196 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000469980148 502616630 /nfs/dbraw/zinc/61/66/30/502616630.db2.gz BEMMNICTZMTFLS-WRGRXTPVSA-N 2 1 364.505 3.196 20 0 FGADMP CCOc1cc(C[NH+]2CCC(C[NH2+]C)CC2)cc(Br)c1OC ZINC000469997917 502623808 /nfs/dbraw/zinc/62/38/08/502623808.db2.gz CJTOJDWKJZGWON-UHFFFAOYSA-N 2 1 371.319 3.288 20 0 FGADMP Brc1ccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2c1 ZINC000470004617 502628046 /nfs/dbraw/zinc/62/80/46/502628046.db2.gz ZTGMIBBPQIZCBR-MRXNPFEDSA-N 2 1 363.303 3.061 20 0 FGADMP [NH3+]C[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000470008160 502628978 /nfs/dbraw/zinc/62/89/78/502628978.db2.gz GMBYERZYUJUXLC-LLVKDONJSA-N 2 1 352.301 3.353 20 0 FGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000470008160 502628982 /nfs/dbraw/zinc/62/89/82/502628982.db2.gz GMBYERZYUJUXLC-LLVKDONJSA-N 2 1 352.301 3.353 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2)C1 ZINC000470117911 502666299 /nfs/dbraw/zinc/66/62/99/502666299.db2.gz RBVMGDMJNOWRQZ-KURKYZTESA-N 2 1 359.514 3.219 20 0 FGADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)cc2)C1 ZINC000470117911 502666306 /nfs/dbraw/zinc/66/63/06/502666306.db2.gz RBVMGDMJNOWRQZ-KURKYZTESA-N 2 1 359.514 3.219 20 0 FGADMP C[C@@H]1CC[NH+](CCOc2ccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)cc2)C1 ZINC000470117911 502666309 /nfs/dbraw/zinc/66/63/09/502666309.db2.gz RBVMGDMJNOWRQZ-KURKYZTESA-N 2 1 359.514 3.219 20 0 FGADMP C[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000463052304 502676145 /nfs/dbraw/zinc/67/61/45/502676145.db2.gz FHMQVKGYFGTJBU-SFHVURJKSA-N 2 1 357.546 3.021 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000463052304 502676152 /nfs/dbraw/zinc/67/61/52/502676152.db2.gz FHMQVKGYFGTJBU-SFHVURJKSA-N 2 1 357.546 3.021 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000484591103 502678762 /nfs/dbraw/zinc/67/87/62/502678762.db2.gz NGRLZIUBTWHFDP-LXZJYRNTSA-N 2 1 360.546 3.097 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)CC1 ZINC000480915201 502704280 /nfs/dbraw/zinc/70/42/80/502704280.db2.gz WTFVELHMOXVXQO-QFIPXVFZSA-N 2 1 353.485 3.350 20 0 FGADMP Cc1cc(Cl)ccc1OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484752436 502731532 /nfs/dbraw/zinc/73/15/32/502731532.db2.gz WJSIBCCHJABVID-RCCFBDPRSA-N 2 1 352.906 3.164 20 0 FGADMP C[N@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000488510149 502736442 /nfs/dbraw/zinc/73/64/42/502736442.db2.gz BCRFJDGCXYVKMO-JOCHJYFZSA-N 2 1 367.468 3.376 20 0 FGADMP C[N@@H+](Cc1cc2ccc(F)cc2[nH]1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000488510149 502736448 /nfs/dbraw/zinc/73/64/48/502736448.db2.gz BCRFJDGCXYVKMO-JOCHJYFZSA-N 2 1 367.468 3.376 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000488523957 502741467 /nfs/dbraw/zinc/74/14/67/502741467.db2.gz WFCWWZOOJLRLDG-NRFANRHFSA-N 2 1 366.509 3.481 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2C)cc1)C1CC1 ZINC000488523957 502741469 /nfs/dbraw/zinc/74/14/69/502741469.db2.gz WFCWWZOOJLRLDG-NRFANRHFSA-N 2 1 366.509 3.481 20 0 FGADMP COc1ccc(C[C@@H](C)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1F ZINC000463284857 502745876 /nfs/dbraw/zinc/74/58/76/502745876.db2.gz XFNGBDDYTRPIHX-QGZVFWFLSA-N 2 1 364.505 3.248 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000488555294 502749281 /nfs/dbraw/zinc/74/92/81/502749281.db2.gz GCMTZVHITZOZFC-FPOVZHCZSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000470364450 502750509 /nfs/dbraw/zinc/75/05/09/502750509.db2.gz LLFDPWKVEUWXEL-JOCHJYFZSA-N 2 1 363.505 3.103 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481177702 502774492 /nfs/dbraw/zinc/77/44/92/502774492.db2.gz DYZNOWDGJUPBMK-KNQAVFIVSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccc(CNC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000481177702 502774496 /nfs/dbraw/zinc/77/44/96/502774496.db2.gz DYZNOWDGJUPBMK-KNQAVFIVSA-N 2 1 365.521 3.111 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481176556 502775173 /nfs/dbraw/zinc/77/51/73/502775173.db2.gz KJOTZOBFBWRSAR-NRSPTQNISA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481176556 502775176 /nfs/dbraw/zinc/77/51/76/502775176.db2.gz KJOTZOBFBWRSAR-NRSPTQNISA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1 ZINC000481190423 502778326 /nfs/dbraw/zinc/77/83/26/502778326.db2.gz OOVSUUZYQFCDEB-UEVCKROQSA-N 2 1 352.522 3.338 20 0 FGADMP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474009944 502778541 /nfs/dbraw/zinc/77/85/41/502778541.db2.gz MPFPNZHFLJNAFV-WSTZPKSXSA-N 2 1 360.546 3.194 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000470485319 502792319 /nfs/dbraw/zinc/79/23/19/502792319.db2.gz YETVCQBGBLHFRW-CEXWTWQISA-N 2 1 354.583 3.161 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000484984288 502792879 /nfs/dbraw/zinc/79/28/79/502792879.db2.gz CHEUNDGWSJBUNY-XAUMDUMWSA-N 2 1 357.523 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180986 502895266 /nfs/dbraw/zinc/89/52/66/502895266.db2.gz HDHYSQNELLOVOY-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180986 502895269 /nfs/dbraw/zinc/89/52/69/502895269.db2.gz HDHYSQNELLOVOY-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180986 502895273 /nfs/dbraw/zinc/89/52/73/502895273.db2.gz HDHYSQNELLOVOY-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025618 502915311 /nfs/dbraw/zinc/91/53/11/502915311.db2.gz ZKGGZFJGCSZWJR-OTWHNJEPSA-N 2 1 372.557 3.123 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000497325755 502932461 /nfs/dbraw/zinc/93/24/61/502932461.db2.gz ILRSQLDIHWSLEE-VSKRKVRLSA-N 2 1 363.505 3.200 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513493715 502952402 /nfs/dbraw/zinc/95/24/02/502952402.db2.gz CGLMILIYUXBSGB-YLJYHZDGSA-N 2 1 351.494 3.176 20 0 FGADMP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000513523324 502958886 /nfs/dbraw/zinc/95/88/86/502958886.db2.gz ZOEXXKKFQCKJBM-LJQANCHMSA-N 2 1 361.505 3.030 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000497440488 502960870 /nfs/dbraw/zinc/96/08/70/502960870.db2.gz KVLIHLWYGWGEER-MJGOQNOKSA-N 2 1 360.546 3.289 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961095 /nfs/dbraw/zinc/96/10/95/502961095.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961099 /nfs/dbraw/zinc/96/10/99/502961099.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961101 /nfs/dbraw/zinc/96/11/01/502961101.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 2 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961105 /nfs/dbraw/zinc/96/11/05/502961105.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 3 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000509664770 502961109 /nfs/dbraw/zinc/96/11/09/502961109.db2.gz IJWQSSICOSAUFO-UNMCSNQZSA-N 3 1 358.574 3.003 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000489532280 502980005 /nfs/dbraw/zinc/98/00/05/502980005.db2.gz IEVONIFBOAGYCO-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Sc1ccccc1 ZINC000505760526 502980656 /nfs/dbraw/zinc/98/06/56/502980656.db2.gz TWRNUXRYQSCCPF-ROUUACIJSA-N 2 1 363.571 3.042 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCC2 ZINC000505825026 502993380 /nfs/dbraw/zinc/99/33/80/502993380.db2.gz NXMYCDSTTDEPFB-QGZVFWFLSA-N 2 1 363.571 3.115 20 0 FGADMP COC(=O)c1ccoc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489675454 503008841 /nfs/dbraw/zinc/00/88/41/503008841.db2.gz GHTFGLNFXBPQBH-UHFFFAOYSA-N 2 1 356.466 3.410 20 0 FGADMP COC(=O)c1ccoc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489675454 503008844 /nfs/dbraw/zinc/00/88/44/503008844.db2.gz GHTFGLNFXBPQBH-UHFFFAOYSA-N 2 1 356.466 3.410 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708517 503016185 /nfs/dbraw/zinc/01/61/85/503016185.db2.gz GPVSUIXIYIAEDX-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708517 503016187 /nfs/dbraw/zinc/01/61/87/503016187.db2.gz GPVSUIXIYIAEDX-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708517 503016190 /nfs/dbraw/zinc/01/61/90/503016190.db2.gz GPVSUIXIYIAEDX-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000489708517 503016192 /nfs/dbraw/zinc/01/61/92/503016192.db2.gz GPVSUIXIYIAEDX-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501489628 503019527 /nfs/dbraw/zinc/01/95/27/503019527.db2.gz GLSFPLARSOJEJD-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000501489628 503019530 /nfs/dbraw/zinc/01/95/30/503019530.db2.gz GLSFPLARSOJEJD-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000501489628 503019534 /nfs/dbraw/zinc/01/95/34/503019534.db2.gz GLSFPLARSOJEJD-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP Fc1ccc(-c2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)co2)cc1 ZINC000513817515 503029668 /nfs/dbraw/zinc/02/96/68/503029668.db2.gz JFPGJYWXTSEHBJ-UHFFFAOYSA-N 2 1 373.472 3.415 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000506056154 503037824 /nfs/dbraw/zinc/03/78/24/503037824.db2.gz RQAKALDVHWYPSE-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000506056154 503037828 /nfs/dbraw/zinc/03/78/28/503037828.db2.gz RQAKALDVHWYPSE-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000506056154 503037832 /nfs/dbraw/zinc/03/78/32/503037832.db2.gz RQAKALDVHWYPSE-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000501573997 503041648 /nfs/dbraw/zinc/04/16/48/503041648.db2.gz AHBHEKHSVNKOKD-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000501575500 503042605 /nfs/dbraw/zinc/04/26/05/503042605.db2.gz PLDHTFZIRMOPLN-LJQANCHMSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000501575500 503042608 /nfs/dbraw/zinc/04/26/08/503042608.db2.gz PLDHTFZIRMOPLN-LJQANCHMSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000501575500 503042611 /nfs/dbraw/zinc/04/26/11/503042611.db2.gz PLDHTFZIRMOPLN-LJQANCHMSA-N 2 1 366.594 3.452 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@](C)(c3ccccc3)CC2)CC1 ZINC000510080295 503045122 /nfs/dbraw/zinc/04/51/22/503045122.db2.gz UPYWYIUSGBHJQS-QHCPKHFHSA-N 2 1 371.569 3.419 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835709 503051170 /nfs/dbraw/zinc/05/11/70/503051170.db2.gz KEEDKSPZOZTHNG-WFXMLNOXSA-N 2 1 372.557 3.302 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(c1ccccc1)c1ccccc1 ZINC000490158676 503119416 /nfs/dbraw/zinc/11/94/16/503119416.db2.gz TWWVDDAPROECCX-OAQYLSRUSA-N 2 1 365.521 3.308 20 0 FGADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(c1ccccc1)c1ccccc1 ZINC000490158676 503119423 /nfs/dbraw/zinc/11/94/23/503119423.db2.gz TWWVDDAPROECCX-OAQYLSRUSA-N 2 1 365.521 3.308 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000490171629 503121991 /nfs/dbraw/zinc/12/19/91/503121991.db2.gz GHZIECOLGFPUAH-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473322 503121940 /nfs/dbraw/zinc/12/19/40/503121940.db2.gz XZILLKZGVUCUCN-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000498220606 503133702 /nfs/dbraw/zinc/13/37/02/503133702.db2.gz BCDHYHIDIHLTKT-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000506942348 503198969 /nfs/dbraw/zinc/19/89/69/503198969.db2.gz ICEIJWGYXSVXET-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000514824983 503201955 /nfs/dbraw/zinc/20/19/55/503201955.db2.gz GBIRONYYBCPNNG-QGZVFWFLSA-N 2 1 356.388 3.315 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000514859175 503212392 /nfs/dbraw/zinc/21/23/92/503212392.db2.gz ITWBSHMTDINQNS-PPDQVPDSSA-N 2 1 359.514 3.286 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@@H]2CCCCN12 ZINC000510999108 503232939 /nfs/dbraw/zinc/23/29/39/503232939.db2.gz ORCXAENYSFCWGU-YXIAPDDASA-N 2 1 367.537 3.030 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490971090 503254070 /nfs/dbraw/zinc/25/40/70/503254070.db2.gz FDQQZKRTGUZBME-MRXNPFEDSA-N 2 1 364.559 3.087 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000491095238 503272904 /nfs/dbraw/zinc/27/29/04/503272904.db2.gz YHYQULWUMYVDJY-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000491095238 503272905 /nfs/dbraw/zinc/27/29/05/503272905.db2.gz YHYQULWUMYVDJY-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000491095238 503272908 /nfs/dbraw/zinc/27/29/08/503272908.db2.gz YHYQULWUMYVDJY-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850404 503275529 /nfs/dbraw/zinc/27/55/29/503275529.db2.gz AVMNMMHVGYHCCC-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850404 503275533 /nfs/dbraw/zinc/27/55/33/503275533.db2.gz AVMNMMHVGYHCCC-FCHUYYIVSA-N 2 1 374.569 3.487 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3F)C2)CC1 ZINC000498858426 503277616 /nfs/dbraw/zinc/27/76/16/503277616.db2.gz UNGGFHHVKHKSPQ-RTBURBONSA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3F)C2)CC1 ZINC000498858426 503277620 /nfs/dbraw/zinc/27/76/20/503277620.db2.gz UNGGFHHVKHKSPQ-RTBURBONSA-N 2 1 364.505 3.009 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000502843323 503286454 /nfs/dbraw/zinc/28/64/54/503286454.db2.gz MFYLJUIHONPKNY-QUCCMNQESA-N 2 1 360.546 3.101 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498917845 503293144 /nfs/dbraw/zinc/29/31/44/503293144.db2.gz IHBWGIMBYBMSLD-RYRKJORJSA-N 2 1 351.560 3.414 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000498917844 503293574 /nfs/dbraw/zinc/29/35/74/503293574.db2.gz IHBWGIMBYBMSLD-BQFCYCMXSA-N 2 1 351.560 3.414 20 0 FGADMP COCCC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353072 503322635 /nfs/dbraw/zinc/32/26/35/503322635.db2.gz ACWAOZIYSWXJPY-PZJWPPBQSA-N 2 1 360.542 3.320 20 0 FGADMP CCCN(C(=O)NCC[NH+](C)C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000491837532 503333360 /nfs/dbraw/zinc/33/33/60/503333360.db2.gz LWLGERFHVQWFQI-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCCN(C(=O)NCC[N@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000491837532 503333363 /nfs/dbraw/zinc/33/33/63/503333363.db2.gz LWLGERFHVQWFQI-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCCN(C(=O)NCC[N@@H+](C)C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000491837532 503333367 /nfs/dbraw/zinc/33/33/67/503333367.db2.gz LWLGERFHVQWFQI-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000503086533 503344390 /nfs/dbraw/zinc/34/43/90/503344390.db2.gz UUYJNTBCNBIVGO-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@](CO)([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000511567151 503345793 /nfs/dbraw/zinc/34/57/93/503345793.db2.gz YJZRHFLSEARKRH-QGZVFWFLSA-N 2 1 355.320 3.122 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2Cc2ccccc2)CC1 ZINC000511631650 503357904 /nfs/dbraw/zinc/35/79/04/503357904.db2.gz VOFGEZSRHQGDGA-OAQYLSRUSA-N 2 1 357.542 3.073 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492510953 503372217 /nfs/dbraw/zinc/37/22/17/503372217.db2.gz AHVKGALECDPWCJ-LAUBAEHRSA-N 2 1 352.478 3.473 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000511771220 503384322 /nfs/dbraw/zinc/38/43/22/503384322.db2.gz KQKLCQCAJWJBKJ-CEXWTWQISA-N 2 1 372.557 3.171 20 0 FGADMP C[C@H]1C[C@@H](NCc2ncc(C[NH+](C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000511995572 503431367 /nfs/dbraw/zinc/43/13/67/503431367.db2.gz AQYHYZNCIDWRLG-WMZOPIPTSA-N 2 1 358.555 3.347 20 0 FGADMP C[C@H]1C[C@@H](NCc2ncc(C[NH+](C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000511995572 503431371 /nfs/dbraw/zinc/43/13/71/503431371.db2.gz AQYHYZNCIDWRLG-WMZOPIPTSA-N 2 1 358.555 3.347 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612171 503442664 /nfs/dbraw/zinc/44/26/64/503442664.db2.gz ZDPTVEJNGNIKKL-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612171 503442668 /nfs/dbraw/zinc/44/26/68/503442668.db2.gz ZDPTVEJNGNIKKL-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000499612171 503442670 /nfs/dbraw/zinc/44/26/70/503442670.db2.gz ZDPTVEJNGNIKKL-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(CNC[C@@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000512148408 503469956 /nfs/dbraw/zinc/46/99/56/503469956.db2.gz WYODJIHCYSAKER-AWEZNQCLSA-N 2 1 364.415 3.465 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cn2)cc1 ZINC000512148408 503469959 /nfs/dbraw/zinc/46/99/59/503469959.db2.gz WYODJIHCYSAKER-AWEZNQCLSA-N 2 1 364.415 3.465 20 0 FGADMP FC(F)(F)c1ccc(-n2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cn2)cc1 ZINC000512148408 503469964 /nfs/dbraw/zinc/46/99/64/503469964.db2.gz WYODJIHCYSAKER-AWEZNQCLSA-N 2 1 364.415 3.465 20 0 FGADMP C[C@@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000512186139 503480736 /nfs/dbraw/zinc/48/07/36/503480736.db2.gz SYIRHVJOAVNNMI-QGZVFWFLSA-N 2 1 361.555 3.438 20 0 FGADMP CCCCCNC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512235124 503493867 /nfs/dbraw/zinc/49/38/67/503493867.db2.gz ACSILUWIJDDJNP-DENIHFKCSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512247386 503497370 /nfs/dbraw/zinc/49/73/70/503497370.db2.gz YPKBKVVUYOMAFX-APWZRJJASA-N 2 1 365.477 3.132 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)Cc2ccccc2C)CC1 ZINC000512273323 503505181 /nfs/dbraw/zinc/50/51/81/503505181.db2.gz ZQFJCZGLMAWIGG-HXUWFJFHSA-N 2 1 373.585 3.486 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(F)c(SC)c1 ZINC000499928607 503512749 /nfs/dbraw/zinc/51/27/49/503512749.db2.gz VXVVYVHIBXIOGQ-MRXNPFEDSA-N 2 1 367.534 3.036 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000512318860 503518478 /nfs/dbraw/zinc/51/84/78/503518478.db2.gz TXSGKCWKRYNTPZ-UTKZUKDTSA-N 2 1 371.550 3.227 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319956 503525189 /nfs/dbraw/zinc/52/51/89/503525189.db2.gz RHMADVXKOJFCGV-CEXWTWQISA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319956 503525192 /nfs/dbraw/zinc/52/51/92/503525192.db2.gz RHMADVXKOJFCGV-CEXWTWQISA-N 2 1 367.484 3.191 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570881 503539862 /nfs/dbraw/zinc/53/98/62/503539862.db2.gz ISCZWVHADFVSCG-ZWKOTPCHSA-N 2 1 372.488 3.438 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000512430986 503549012 /nfs/dbraw/zinc/54/90/12/503549012.db2.gz WIJKFYZVFNEYTI-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@H]1C ZINC000500103641 503554867 /nfs/dbraw/zinc/55/48/67/503554867.db2.gz KNUBNJLGMXTZEV-MOPGFXCFSA-N 2 1 372.557 3.345 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504325287 503556342 /nfs/dbraw/zinc/55/63/42/503556342.db2.gz OUWSMFPEHXITGM-NHCUHLMSSA-N 2 1 370.541 3.099 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000508856335 503579225 /nfs/dbraw/zinc/57/92/25/503579225.db2.gz AAJILIFHRWJWHH-IBGZPJMESA-N 2 1 356.514 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508860382 503580708 /nfs/dbraw/zinc/58/07/08/503580708.db2.gz DUUMWUSJTQLMRE-FXAWDEMLSA-N 2 1 371.529 3.223 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512578291 503588827 /nfs/dbraw/zinc/58/88/27/503588827.db2.gz POJKTSWPOBQMFQ-RCLSDMTESA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578291 503588831 /nfs/dbraw/zinc/58/88/31/503588831.db2.gz POJKTSWPOBQMFQ-RCLSDMTESA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578291 503588838 /nfs/dbraw/zinc/58/88/38/503588838.db2.gz POJKTSWPOBQMFQ-RCLSDMTESA-N 2 1 357.542 3.276 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccccc1C(F)(F)F ZINC000516965802 503633140 /nfs/dbraw/zinc/63/31/40/503633140.db2.gz MSGPBVMBZYOALS-JCYILVPMSA-N 2 1 356.432 3.215 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000536710323 503692760 /nfs/dbraw/zinc/69/27/60/503692760.db2.gz QOWBLMZKAAUMTL-IRXDYDNUSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[NH+]1CCCCC1 ZINC000543382287 503746316 /nfs/dbraw/zinc/74/63/16/503746316.db2.gz ZLPBCKNKJRHDDI-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000517541678 503766426 /nfs/dbraw/zinc/76/64/26/503766426.db2.gz PKFMINWXBOPYHE-HDICACEKSA-N 2 1 374.573 3.304 20 0 FGADMP CS[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@H]1[NH+](C)C ZINC000536995212 503773964 /nfs/dbraw/zinc/77/39/64/503773964.db2.gz VLOZAKPSUAMIKX-CVEARBPZSA-N 2 1 366.328 3.479 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000517594858 503782279 /nfs/dbraw/zinc/78/22/79/503782279.db2.gz MVIZNZCJWDOHGA-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)cc1)C1CC1 ZINC000530024029 503797787 /nfs/dbraw/zinc/79/77/87/503797787.db2.gz JPSQTVWPWINNEI-NRFANRHFSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1)C1CC1 ZINC000530024029 503797795 /nfs/dbraw/zinc/79/77/95/503797795.db2.gz JPSQTVWPWINNEI-NRFANRHFSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1)C1CC1 ZINC000530024029 503797802 /nfs/dbraw/zinc/79/78/02/503797802.db2.gz JPSQTVWPWINNEI-NRFANRHFSA-N 2 1 355.526 3.418 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000530025172 503799007 /nfs/dbraw/zinc/79/90/07/503799007.db2.gz PFGGYTKEBOIKGP-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1[C@@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000543563762 503813126 /nfs/dbraw/zinc/81/31/26/503813126.db2.gz LAFRVXIHOLNVRV-QZTJIDSGSA-N 2 1 358.530 3.271 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578885 503818690 /nfs/dbraw/zinc/81/86/90/503818690.db2.gz DXRRTKJQEPGHHX-MJGOQNOKSA-N 2 1 372.557 3.341 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578885 503818694 /nfs/dbraw/zinc/81/86/94/503818694.db2.gz DXRRTKJQEPGHHX-MJGOQNOKSA-N 2 1 372.557 3.341 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(C)C[C@H]1c1ccccc1)C2 ZINC000527512440 503819121 /nfs/dbraw/zinc/81/91/21/503819121.db2.gz HTWTYYPUQSTNEL-XLIONFOSSA-N 2 1 366.509 3.153 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000517732832 503820708 /nfs/dbraw/zinc/82/07/08/503820708.db2.gz QKHPBBLDLLLEHA-GOSISDBHSA-N 2 1 362.477 3.340 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000540573281 503821585 /nfs/dbraw/zinc/82/15/85/503821585.db2.gz VUSULWKASODIKQ-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573281 503821588 /nfs/dbraw/zinc/82/15/88/503821588.db2.gz VUSULWKASODIKQ-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573281 503821592 /nfs/dbraw/zinc/82/15/92/503821592.db2.gz VUSULWKASODIKQ-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628418 503838124 /nfs/dbraw/zinc/83/81/24/503838124.db2.gz ZTEOYXWFCFMCLG-SJLPKXTDSA-N 2 1 356.466 3.457 20 0 FGADMP c1csc(C[NH+]2CCC(CNc3cc[nH+]c(N4CCCCC4)n3)CC2)c1 ZINC000543693166 503854225 /nfs/dbraw/zinc/85/42/25/503854225.db2.gz JKWKKTHPCPEXDZ-UHFFFAOYSA-N 2 1 371.554 3.274 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527654865 503877948 /nfs/dbraw/zinc/87/79/48/503877948.db2.gz UTMYHLIPZQNSDS-HBMCJLEFSA-N 2 1 357.542 3.280 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216375 503880675 /nfs/dbraw/zinc/88/06/75/503880675.db2.gz BCHYSEIFMNUOLF-SWLSCSKDSA-N 2 1 355.404 3.297 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccc(Cl)cc1 ZINC000533539586 503881836 /nfs/dbraw/zinc/88/18/36/503881836.db2.gz INLQUBAOVUUBLJ-QRQLOZEOSA-N 2 1 352.906 3.292 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1F ZINC000530223190 503882360 /nfs/dbraw/zinc/88/23/60/503882360.db2.gz PLDLBWPUFRYTML-WMZOPIPTSA-N 2 1 365.880 3.048 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(CC)CC ZINC000543777248 503888212 /nfs/dbraw/zinc/88/82/12/503888212.db2.gz RMXQGTZDVVLEDS-QHAWAJNXSA-N 2 1 360.542 3.327 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000518205928 503927540 /nfs/dbraw/zinc/92/75/40/503927540.db2.gz SLVJFKOTRWPCPR-DLBZAZTESA-N 2 1 366.575 3.305 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500862 503935171 /nfs/dbraw/zinc/93/51/71/503935171.db2.gz OONQVJMPOZHOJH-WBAXXEDZSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500862 503935176 /nfs/dbraw/zinc/93/51/76/503935176.db2.gz OONQVJMPOZHOJH-WBAXXEDZSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500862 503935177 /nfs/dbraw/zinc/93/51/77/503935177.db2.gz OONQVJMPOZHOJH-WBAXXEDZSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000537500862 503935182 /nfs/dbraw/zinc/93/51/82/503935182.db2.gz OONQVJMPOZHOJH-WBAXXEDZSA-N 2 1 367.896 3.071 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000543906333 503937554 /nfs/dbraw/zinc/93/75/54/503937554.db2.gz GWJWQCCHYCIVNN-FQEVSTJZSA-N 2 1 366.594 3.262 20 0 FGADMP Oc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000518262702 503939019 /nfs/dbraw/zinc/93/90/19/503939019.db2.gz WAYVITDQQDBYQW-QZTJIDSGSA-N 2 1 372.431 3.269 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000537534149 503945116 /nfs/dbraw/zinc/94/51/16/503945116.db2.gz APIIUZWEFHUHKS-XMSQKQJNSA-N 2 1 368.525 3.345 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000540976268 503961756 /nfs/dbraw/zinc/96/17/56/503961756.db2.gz HFHBWMCCZUWKJE-KJJMTIBFSA-N 2 1 358.526 3.072 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000537617293 503977543 /nfs/dbraw/zinc/97/75/43/503977543.db2.gz AQESRLYSAIIXCX-RDJZCZTQSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000537617293 503977547 /nfs/dbraw/zinc/97/75/47/503977547.db2.gz AQESRLYSAIIXCX-RDJZCZTQSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000537617293 503977552 /nfs/dbraw/zinc/97/75/52/503977552.db2.gz AQESRLYSAIIXCX-RDJZCZTQSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000537617293 503977558 /nfs/dbraw/zinc/97/75/58/503977558.db2.gz AQESRLYSAIIXCX-RDJZCZTQSA-N 2 1 350.503 3.407 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000541176456 504032508 /nfs/dbraw/zinc/03/25/08/504032508.db2.gz CAGGGPQRTNCIFJ-RXVVDRJESA-N 2 1 370.541 3.314 20 0 FGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1(C)C ZINC000547320686 504060463 /nfs/dbraw/zinc/06/04/63/504060463.db2.gz CCWFFDQYFSQLFF-QXAKKESOSA-N 2 1 365.587 3.218 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cscc2Br)C1 ZINC000518836758 504076032 /nfs/dbraw/zinc/07/60/32/504076032.db2.gz OGBJTMAMCOIAAS-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cscc2Br)C1 ZINC000518836758 504076036 /nfs/dbraw/zinc/07/60/36/504076036.db2.gz OGBJTMAMCOIAAS-CQSZACIVSA-N 2 1 361.349 3.443 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000537952500 504094683 /nfs/dbraw/zinc/09/46/83/504094683.db2.gz IDIWRWDVNMLYDT-XMSQKQJNSA-N 2 1 370.541 3.314 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000530820699 504096265 /nfs/dbraw/zinc/09/62/65/504096265.db2.gz LKAJGWRDEOLSPM-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000530820699 504096268 /nfs/dbraw/zinc/09/62/68/504096268.db2.gz LKAJGWRDEOLSPM-DENIHFKCSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@@H+]1C ZINC000530820702 504096386 /nfs/dbraw/zinc/09/63/86/504096386.db2.gz LKAJGWRDEOLSPM-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[N@H+]1C ZINC000530820702 504096388 /nfs/dbraw/zinc/09/63/88/504096388.db2.gz LKAJGWRDEOLSPM-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537965858 504097538 /nfs/dbraw/zinc/09/75/38/504097538.db2.gz HQVJBMZLRIDCRF-ZIAGYGMSSA-N 2 1 358.877 3.413 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cccnc2)CC1 ZINC000544358047 504101320 /nfs/dbraw/zinc/10/13/20/504101320.db2.gz JAHKEUUDLLWWPV-QFIPXVFZSA-N 2 1 370.516 3.173 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385302 504112718 /nfs/dbraw/zinc/11/27/18/504112718.db2.gz KCFDFVYZUBDXFB-YOEHRIQHSA-N 2 1 358.448 3.373 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000544408956 504123299 /nfs/dbraw/zinc/12/32/99/504123299.db2.gz QQDODWISTUDABO-QGZVFWFLSA-N 2 1 354.922 3.193 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000544408956 504123302 /nfs/dbraw/zinc/12/33/02/504123302.db2.gz QQDODWISTUDABO-QGZVFWFLSA-N 2 1 354.922 3.193 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000544424666 504128764 /nfs/dbraw/zinc/12/87/64/504128764.db2.gz NHOHQFDPAPOZHA-ZVDOUQERSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1C[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000544424666 504128768 /nfs/dbraw/zinc/12/87/68/504128768.db2.gz NHOHQFDPAPOZHA-ZVDOUQERSA-N 2 1 371.569 3.285 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[NH+](CC)C1 ZINC000528306362 504161741 /nfs/dbraw/zinc/16/17/41/504161741.db2.gz GFDFHEMENSLUEX-BHDDXSALSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000528306362 504161745 /nfs/dbraw/zinc/16/17/45/504161745.db2.gz GFDFHEMENSLUEX-BHDDXSALSA-N 2 1 371.569 3.383 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000528306362 504161746 /nfs/dbraw/zinc/16/17/46/504161746.db2.gz GFDFHEMENSLUEX-BHDDXSALSA-N 2 1 371.569 3.383 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000541535942 504167382 /nfs/dbraw/zinc/16/73/82/504167382.db2.gz YOGYWEQLKHGWHQ-JLLPCOHGSA-N 2 1 364.533 3.480 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)c(F)c2)CC1 ZINC000519228259 504170157 /nfs/dbraw/zinc/17/01/57/504170157.db2.gz BXDACQTUYQVIMV-AWEZNQCLSA-N 2 1 353.457 3.346 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000541576637 504183446 /nfs/dbraw/zinc/18/34/46/504183446.db2.gz NVBFDMXIWWZNDY-QZTJIDSGSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000541576637 504183450 /nfs/dbraw/zinc/18/34/50/504183450.db2.gz NVBFDMXIWWZNDY-QZTJIDSGSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576637 504183455 /nfs/dbraw/zinc/18/34/55/504183455.db2.gz NVBFDMXIWWZNDY-QZTJIDSGSA-N 2 1 366.933 3.052 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000541576637 504183456 /nfs/dbraw/zinc/18/34/56/504183456.db2.gz NVBFDMXIWWZNDY-QZTJIDSGSA-N 2 1 366.933 3.052 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4c3OCCC4)CC2)CC1 ZINC000519422044 504218286 /nfs/dbraw/zinc/21/82/86/504218286.db2.gz JSYMNCPZPYUQFM-UHFFFAOYSA-N 2 1 371.525 3.146 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483982 504230734 /nfs/dbraw/zinc/23/07/34/504230734.db2.gz PHGPKERRXIFDFT-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519483982 504230739 /nfs/dbraw/zinc/23/07/39/504230739.db2.gz PHGPKERRXIFDFT-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519483982 504230749 /nfs/dbraw/zinc/23/07/49/504230749.db2.gz PHGPKERRXIFDFT-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C12CCC2 ZINC000538394022 504232878 /nfs/dbraw/zinc/23/28/78/504232878.db2.gz LOQXKHBYAJIPQQ-MOPGFXCFSA-N 2 1 350.547 3.347 20 0 FGADMP C[C@@H]1COCC[N@H+]1C1CCN(CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000519519204 504237273 /nfs/dbraw/zinc/23/72/73/504237273.db2.gz ZMBFUZNNSBQRQX-OAHLLOKOSA-N 2 1 372.431 3.269 20 0 FGADMP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519534741 504245140 /nfs/dbraw/zinc/24/51/40/504245140.db2.gz BDJOYLDMAVTURZ-KXBFYZLASA-N 2 1 371.550 3.337 20 0 FGADMP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519534741 504245147 /nfs/dbraw/zinc/24/51/47/504245147.db2.gz BDJOYLDMAVTURZ-KXBFYZLASA-N 2 1 371.550 3.337 20 0 FGADMP CC[C@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[NH+](CC)CC ZINC000531294175 504255477 /nfs/dbraw/zinc/25/54/77/504255477.db2.gz DJHSWUAMPNLELX-MBOZVWFJSA-N 2 1 361.530 3.355 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600747 504269841 /nfs/dbraw/zinc/26/98/41/504269841.db2.gz PPFMTCCLKOTYNL-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600747 504269847 /nfs/dbraw/zinc/26/98/47/504269847.db2.gz PPFMTCCLKOTYNL-UYAOXDASSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1[nH+]ccn1CCSc1nnc(SCCn2cc[nH+]c2C)s1 ZINC000534948981 504289182 /nfs/dbraw/zinc/28/91/82/504289182.db2.gz LXRFQVGKZTVJJE-UHFFFAOYSA-N 2 1 366.541 3.133 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CC(c3ccccc3)C2)CC1 ZINC000541884658 504289380 /nfs/dbraw/zinc/28/93/80/504289380.db2.gz NUFATOFUIWPHII-UHFFFAOYSA-N 2 1 364.493 3.356 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000541985745 504324329 /nfs/dbraw/zinc/32/43/29/504324329.db2.gz LRNSJJQXYIGLAT-QHAWAJNXSA-N 2 1 355.570 3.282 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528712044 504343687 /nfs/dbraw/zinc/34/36/87/504343687.db2.gz BGFAAWONTSRNNF-INIZCTEOSA-N 2 1 374.529 3.191 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21)C1CC[NH+](C)CC1 ZINC000538792583 504372973 /nfs/dbraw/zinc/37/29/73/504372973.db2.gz ZPKOXRAMXWCHNQ-SIKLNZKXSA-N 2 1 357.542 3.218 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000542152034 504383593 /nfs/dbraw/zinc/38/35/93/504383593.db2.gz CETAMHFYPKQVNZ-GOSISDBHSA-N 2 1 352.906 3.208 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531676880 504390029 /nfs/dbraw/zinc/39/00/29/504390029.db2.gz GXIGJSJRVZAGHB-APWZRJJASA-N 2 1 359.539 3.396 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(F)cc1 ZINC000531696882 504395342 /nfs/dbraw/zinc/39/53/42/504395342.db2.gz AAMMSBHBZVAJJB-JZWVFAODSA-N 2 1 370.512 3.477 20 0 FGADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709077 504398849 /nfs/dbraw/zinc/39/88/49/504398849.db2.gz DYDIOEPCKZQGPK-MSOLQXFVSA-N 2 1 351.922 3.151 20 0 FGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000531709561 504399177 /nfs/dbraw/zinc/39/91/77/504399177.db2.gz REFDYHODSSQNEU-APWZRJJASA-N 2 1 358.555 3.399 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531712002 504400491 /nfs/dbraw/zinc/40/04/91/504400491.db2.gz ATQCCYGYVFZNIR-GOSISDBHSA-N 2 1 365.525 3.261 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725047 504405076 /nfs/dbraw/zinc/40/50/76/504405076.db2.gz GWSGCHGSHNBEDG-MCIONIFRSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725047 504405079 /nfs/dbraw/zinc/40/50/79/504405079.db2.gz GWSGCHGSHNBEDG-MCIONIFRSA-N 2 1 357.420 3.495 20 0 FGADMP CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520122602 504415757 /nfs/dbraw/zinc/41/57/57/504415757.db2.gz DCVAVULKGOMZHC-FCHUYYIVSA-N 2 1 365.521 3.242 20 0 FGADMP CC[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520122602 504415760 /nfs/dbraw/zinc/41/57/60/504415760.db2.gz DCVAVULKGOMZHC-FCHUYYIVSA-N 2 1 365.521 3.242 20 0 FGADMP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1 ZINC000531899885 504464308 /nfs/dbraw/zinc/46/43/08/504464308.db2.gz NQLSFMKPTNRQIP-UHFFFAOYSA-N 2 1 373.585 3.323 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1)CC(C)C ZINC000539100399 504472631 /nfs/dbraw/zinc/47/26/31/504472631.db2.gz VWBPGCLUEQSKOJ-IBGZPJMESA-N 2 1 351.579 3.325 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943892 504481988 /nfs/dbraw/zinc/48/19/88/504481988.db2.gz VZTKRYXDGIPELD-PXNSSMCTSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943892 504481992 /nfs/dbraw/zinc/48/19/92/504481992.db2.gz VZTKRYXDGIPELD-PXNSSMCTSA-N 2 1 352.478 3.458 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980886 504492768 /nfs/dbraw/zinc/49/27/68/504492768.db2.gz BVDAQLRFKDGGCC-GUTXKFCHSA-N 2 1 353.894 3.138 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980886 504492773 /nfs/dbraw/zinc/49/27/73/504492773.db2.gz BVDAQLRFKDGGCC-GUTXKFCHSA-N 2 1 353.894 3.138 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977620 504493687 /nfs/dbraw/zinc/49/36/87/504493687.db2.gz FSHBUOPPMXWDEA-PWSUYJOCSA-N 2 1 350.816 3.238 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CN1c1ccc(Cl)c(F)c1 ZINC000539293101 504521182 /nfs/dbraw/zinc/52/11/82/504521182.db2.gz UCZCBWBZLQAVLK-HNNXBMFYSA-N 2 1 365.880 3.048 20 0 FGADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529373 504527991 /nfs/dbraw/zinc/52/79/91/504527991.db2.gz ZVZCVZCRDNJOFS-UEXGIBASSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529373 504527996 /nfs/dbraw/zinc/52/79/96/504527996.db2.gz ZVZCVZCRDNJOFS-UEXGIBASSA-N 2 1 355.526 3.425 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534621 504530359 /nfs/dbraw/zinc/53/03/59/504530359.db2.gz UBUQINNBRCUFKL-RYRKJORJSA-N 2 1 361.505 3.246 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N[C@@H](C)c1ccc(F)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534621 504530362 /nfs/dbraw/zinc/53/03/62/504530362.db2.gz UBUQINNBRCUFKL-RYRKJORJSA-N 2 1 361.505 3.246 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807535 504551200 /nfs/dbraw/zinc/55/12/00/504551200.db2.gz QEMIJZUTJWGAGR-GUDVDZBRSA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807535 504551206 /nfs/dbraw/zinc/55/12/06/504551206.db2.gz QEMIJZUTJWGAGR-GUDVDZBRSA-N 2 1 374.916 3.414 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000542682648 504574805 /nfs/dbraw/zinc/57/48/05/504574805.db2.gz HHQMUWDXXLYUAN-IIBYNOLFSA-N 2 1 355.526 3.105 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(F)cc(F)c2)c2cccs2)CC1 ZINC000535898861 504575540 /nfs/dbraw/zinc/57/55/40/504575540.db2.gz LFNAULWSPGVYRI-QGZVFWFLSA-N 2 1 351.466 3.105 20 0 FGADMP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000539494195 504588925 /nfs/dbraw/zinc/58/89/25/504588925.db2.gz AYMSHSSZQZRQER-MRXNPFEDSA-N 2 1 357.498 3.118 20 0 FGADMP COC(=O)c1occc1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539528803 504599524 /nfs/dbraw/zinc/59/95/24/504599524.db2.gz RHGUQWBLNGANOE-SJLPKXTDSA-N 2 1 356.466 3.457 20 0 FGADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542848355 504632987 /nfs/dbraw/zinc/63/29/87/504632987.db2.gz KNAQAKOTXSMDAK-FXAWDEMLSA-N 2 1 354.494 3.421 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1sccc1Br ZINC000532450967 504655144 /nfs/dbraw/zinc/65/51/44/504655144.db2.gz NQABSGHVSFYZHU-CYBMUJFWSA-N 2 1 360.365 3.189 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532522270 504681041 /nfs/dbraw/zinc/68/10/41/504681041.db2.gz SNLAXZMJULXFLG-DVOMOZLQSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532522270 504681046 /nfs/dbraw/zinc/68/10/46/504681046.db2.gz SNLAXZMJULXFLG-DVOMOZLQSA-N 2 1 368.319 3.239 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539852081 504717814 /nfs/dbraw/zinc/71/78/14/504717814.db2.gz LTGCRYDVKLLHSN-QGZVFWFLSA-N 2 1 354.498 3.249 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000539852081 504717818 /nfs/dbraw/zinc/71/78/18/504717818.db2.gz LTGCRYDVKLLHSN-QGZVFWFLSA-N 2 1 354.498 3.249 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000539852081 504717822 /nfs/dbraw/zinc/71/78/22/504717822.db2.gz LTGCRYDVKLLHSN-QGZVFWFLSA-N 2 1 354.498 3.249 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000539852081 504717826 /nfs/dbraw/zinc/71/78/26/504717826.db2.gz LTGCRYDVKLLHSN-QGZVFWFLSA-N 2 1 354.498 3.249 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccncc1Cl ZINC000521422552 504733010 /nfs/dbraw/zinc/73/30/10/504733010.db2.gz OZZTYKLUQJGRSG-PBHICJAKSA-N 2 1 364.946 3.436 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000521487104 504746020 /nfs/dbraw/zinc/74/60/20/504746020.db2.gz VYXGAMJWPXZMHF-VQTJNVASSA-N 2 1 369.509 3.443 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584626 504765807 /nfs/dbraw/zinc/76/58/07/504765807.db2.gz VYZVCDWBWIYLKT-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584626 504765809 /nfs/dbraw/zinc/76/58/09/504765809.db2.gz VYZVCDWBWIYLKT-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584626 504765810 /nfs/dbraw/zinc/76/58/10/504765810.db2.gz VYZVCDWBWIYLKT-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccn1 ZINC000562353367 504793065 /nfs/dbraw/zinc/79/30/65/504793065.db2.gz SNGQXBPRJGRSMQ-DLBZAZTESA-N 2 1 355.482 3.162 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccn1 ZINC000562353367 504793068 /nfs/dbraw/zinc/79/30/68/504793068.db2.gz SNGQXBPRJGRSMQ-DLBZAZTESA-N 2 1 355.482 3.162 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000552981213 504797819 /nfs/dbraw/zinc/79/78/19/504797819.db2.gz HCLJUJCXLHBDHW-XLIONFOSSA-N 2 1 366.509 3.136 20 0 FGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(-c2cnn(C)c2)c1 ZINC000549404608 504811961 /nfs/dbraw/zinc/81/19/61/504811961.db2.gz SHYLCWUJSWEVTE-ILWGZMRPSA-N 2 1 368.525 3.079 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](n2cncn2)C1 ZINC000556243333 504827258 /nfs/dbraw/zinc/82/72/58/504827258.db2.gz BOZMGUBCYKWUEV-PBASOCQRSA-N 2 1 353.514 3.120 20 0 FGADMP CCN1CC[C@H]([NH2+]CCn2cc[nH+]c2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000549475720 504832678 /nfs/dbraw/zinc/83/26/78/504832678.db2.gz HAKLABDKTIATLA-ROUUACIJSA-N 2 1 350.869 3.409 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)C2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000549646675 504867011 /nfs/dbraw/zinc/86/70/11/504867011.db2.gz IKVYHMFMLKXURH-AZUAARDMSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750988 504888273 /nfs/dbraw/zinc/88/82/73/504888273.db2.gz PRLICOOXNFHFDP-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549750988 504888275 /nfs/dbraw/zinc/88/82/75/504888275.db2.gz PRLICOOXNFHFDP-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549750988 504888276 /nfs/dbraw/zinc/88/82/76/504888276.db2.gz PRLICOOXNFHFDP-QZTJIDSGSA-N 2 1 363.571 3.341 20 0 FGADMP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C)ccc2n1 ZINC000565445860 504888759 /nfs/dbraw/zinc/88/87/59/504888759.db2.gz TTWGAGCGMAOFTE-VQIMIIECSA-N 2 1 363.465 3.427 20 0 FGADMP CC[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000549772700 504893791 /nfs/dbraw/zinc/89/37/91/504893791.db2.gz ZSIJZAGKDRJSRL-NRFANRHFSA-N 2 1 353.510 3.275 20 0 FGADMP C[C@H]([NH3+])CCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000565480102 504899963 /nfs/dbraw/zinc/89/99/63/504899963.db2.gz UAZQLKYXKNMVIB-AWEZNQCLSA-N 2 1 371.447 3.256 20 0 FGADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)nc2ccccc12 ZINC000562837846 504960158 /nfs/dbraw/zinc/96/01/58/504960158.db2.gz KXDXYTSAJBVIHN-HNNXBMFYSA-N 2 1 370.888 3.084 20 0 FGADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)nc2ccccc12 ZINC000562837846 504960160 /nfs/dbraw/zinc/96/01/60/504960160.db2.gz KXDXYTSAJBVIHN-HNNXBMFYSA-N 2 1 370.888 3.084 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4c[nH+]cn4c3)cc2)C1 ZINC000550220897 504995560 /nfs/dbraw/zinc/99/55/60/504995560.db2.gz XWFDYQNVQYBMRI-QGZVFWFLSA-N 2 1 362.477 3.496 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCN(C)[C@@H]4CCC[C@@H]43)CC2)cc1 ZINC000556870578 505001420 /nfs/dbraw/zinc/00/14/20/505001420.db2.gz GRHGWPKYRNRHIM-DNVJHFABSA-N 2 1 371.569 3.370 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)CCC[NH+](C)Cc1ccco1 ZINC000553875664 505030292 /nfs/dbraw/zinc/03/02/92/505030292.db2.gz KHQPRYNWRXHULS-HDICACEKSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000553875664 505030298 /nfs/dbraw/zinc/03/02/98/505030298.db2.gz KHQPRYNWRXHULS-HDICACEKSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000553875664 505030299 /nfs/dbraw/zinc/03/02/99/505030299.db2.gz KHQPRYNWRXHULS-HDICACEKSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115944 505069419 /nfs/dbraw/zinc/06/94/19/505069419.db2.gz FDNJOJJXTPVAGD-GCJKJVERSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115945 505069501 /nfs/dbraw/zinc/06/95/01/505069501.db2.gz FDNJOJJXTPVAGD-PGRDOPGGSA-N 2 1 372.557 3.107 20 0 FGADMP C[N@H+]1CC[C@@H](NCC2([NH+]3CCCCC3)CCOCC2)C[C@H]1c1ccccc1 ZINC000550700349 505086608 /nfs/dbraw/zinc/08/66/08/505086608.db2.gz GASOQRJJKYWSGV-YADHBBJMSA-N 2 1 371.569 3.447 20 0 FGADMP NC(=O)C1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000560521585 505113046 /nfs/dbraw/zinc/11/30/46/505113046.db2.gz VZKCIKQXCAQOAT-DHCGTZGXSA-N 2 1 369.553 3.311 20 0 FGADMP Cn1cncc1CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000563350930 505117545 /nfs/dbraw/zinc/11/75/45/505117545.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 2 1 352.526 3.341 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000563350930 505117547 /nfs/dbraw/zinc/11/75/47/505117547.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 3 1 352.526 3.341 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000563350930 505117549 /nfs/dbraw/zinc/11/75/49/505117549.db2.gz UQDXCUYFMJTIBZ-QFIPXVFZSA-N 3 1 352.526 3.341 20 0 FGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244287 505121632 /nfs/dbraw/zinc/12/16/32/505121632.db2.gz QLUZZZJKGMUDKZ-SLFFLAALSA-N 2 1 357.542 3.253 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CN(Cc3ccccc3)CCCO2)ccn1 ZINC000550904294 505122312 /nfs/dbraw/zinc/12/23/12/505122312.db2.gz VEHORKAVJDYFFJ-FXAWDEMLSA-N 2 1 355.482 3.032 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419534 505129755 /nfs/dbraw/zinc/12/97/55/505129755.db2.gz MMMHXKGDLLUOIA-CTNGQTDRSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557419534 505129758 /nfs/dbraw/zinc/12/97/58/505129758.db2.gz MMMHXKGDLLUOIA-CTNGQTDRSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557419534 505129760 /nfs/dbraw/zinc/12/97/60/505129760.db2.gz MMMHXKGDLLUOIA-CTNGQTDRSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H](C[NH+]1CCC(C)CC1)NCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000563443848 505143383 /nfs/dbraw/zinc/14/33/83/505143383.db2.gz WYFYVAKQRXRJNZ-HXUWFJFHSA-N 2 1 372.601 3.427 20 0 FGADMP CCc1nc(NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)cc(C)[nH+]1 ZINC000557576887 505171696 /nfs/dbraw/zinc/17/16/96/505171696.db2.gz ZTKRONRACMDNQG-QGZVFWFLSA-N 2 1 354.498 3.081 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000557637615 505189469 /nfs/dbraw/zinc/18/94/69/505189469.db2.gz FDDVPAMMGPTELZ-HSZRJFAPSA-N 2 1 369.553 3.231 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)C1CCOCC1 ZINC000563607569 505191414 /nfs/dbraw/zinc/19/14/14/505191414.db2.gz GUTWYEUFGMFXPF-YPAWHYETSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)C1CCOCC1 ZINC000563607569 505191416 /nfs/dbraw/zinc/19/14/16/505191416.db2.gz GUTWYEUFGMFXPF-YPAWHYETSA-N 2 1 360.542 3.318 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557643112 505191482 /nfs/dbraw/zinc/19/14/82/505191482.db2.gz DVEADCINZWGDHL-PGRDOPGGSA-N 2 1 357.542 3.278 20 0 FGADMP CCOc1cc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2cc1OCC ZINC000554523100 505196130 /nfs/dbraw/zinc/19/61/30/505196130.db2.gz IHUZCNFPGXLTLC-HNNXBMFYSA-N 2 1 355.482 3.350 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3CCOC)CC2)CC1 ZINC000557669171 505197864 /nfs/dbraw/zinc/19/78/64/505197864.db2.gz AHLZIZXXNZYJOD-UHFFFAOYSA-N 2 1 373.541 3.010 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664697 505204737 /nfs/dbraw/zinc/20/47/37/505204737.db2.gz AEHLSBKNZBTNSM-IRXDYDNUSA-N 2 1 362.493 3.049 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965872 505217327 /nfs/dbraw/zinc/21/73/27/505217327.db2.gz DJGFNSOJMBADBP-ZRAXVTTISA-N 2 1 366.509 3.478 20 0 FGADMP OC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620034 505223926 /nfs/dbraw/zinc/22/39/26/505223926.db2.gz YBXZFSYLUANKHO-UXHICEINSA-N 2 1 354.494 3.217 20 0 FGADMP OC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620034 505223931 /nfs/dbraw/zinc/22/39/31/505223931.db2.gz YBXZFSYLUANKHO-UXHICEINSA-N 2 1 354.494 3.217 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632035 505227488 /nfs/dbraw/zinc/22/74/88/505227488.db2.gz JREABFSNKGLCTK-ZWOKBUDYSA-N 2 1 369.509 3.272 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000554632035 505227489 /nfs/dbraw/zinc/22/74/89/505227489.db2.gz JREABFSNKGLCTK-ZWOKBUDYSA-N 2 1 369.509 3.272 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557812182 505236298 /nfs/dbraw/zinc/23/62/98/505236298.db2.gz NEWZPNJSDXZUNU-YHELAOLJSA-N 2 1 370.541 3.090 20 0 FGADMP CCC[NH+]1CCC(N(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699019 505285597 /nfs/dbraw/zinc/28/55/97/505285597.db2.gz JJZZANMMRZTRRH-JOCHJYFZSA-N 2 1 359.558 3.084 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@]1(C)CCCO1 ZINC000566870583 505296682 /nfs/dbraw/zinc/29/66/82/505296682.db2.gz ZTFBSBJWWCDUMD-ILWGZMRPSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000564150389 505337811 /nfs/dbraw/zinc/33/78/11/505337811.db2.gz BCEDRLVCUPBZQZ-OAHLLOKOSA-N 2 1 356.352 3.325 20 0 FGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000552034768 505377051 /nfs/dbraw/zinc/37/70/51/505377051.db2.gz WLVWKKBLYYTZPN-GUDVDZBRSA-N 2 1 354.498 3.304 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552053978 505382485 /nfs/dbraw/zinc/38/24/85/505382485.db2.gz DMJFXZJOBZTTLU-ANULTFPQSA-N 2 1 359.583 3.066 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000558415962 505383191 /nfs/dbraw/zinc/38/31/91/505383191.db2.gz FSYVQRXQMQACKM-FDFHNCONSA-N 2 1 364.489 3.473 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CCCn3ccnc3)c2C)cc1 ZINC000564322156 505383990 /nfs/dbraw/zinc/38/39/90/505383990.db2.gz CVMYWRDLRRZNHY-UHFFFAOYSA-N 2 1 367.497 3.275 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000564336847 505388564 /nfs/dbraw/zinc/38/85/64/505388564.db2.gz BXARUYJWBYXSRH-PKOBYXMFSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000564336847 505388567 /nfs/dbraw/zinc/38/85/67/505388567.db2.gz BXARUYJWBYXSRH-PKOBYXMFSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000564336847 505388569 /nfs/dbraw/zinc/38/85/69/505388569.db2.gz BXARUYJWBYXSRH-PKOBYXMFSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000564336847 505388572 /nfs/dbraw/zinc/38/85/72/505388572.db2.gz BXARUYJWBYXSRH-PKOBYXMFSA-N 2 1 370.541 3.252 20 0 FGADMP C[C@H](CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000561608812 505389823 /nfs/dbraw/zinc/38/98/23/505389823.db2.gz JUCIBILHSMPGDF-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249556 505440735 /nfs/dbraw/zinc/44/07/35/505440735.db2.gz CUPHALHMGJHWDR-XPPIMPSXSA-N 3 1 373.585 3.112 20 0 FGADMP CC1CCN(C[C@H](O)C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249556 505440737 /nfs/dbraw/zinc/44/07/37/505440737.db2.gz CUPHALHMGJHWDR-XPPIMPSXSA-N 2 1 373.585 3.112 20 0 FGADMP CC1CCN(C[C@H](O)C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000552249556 505440741 /nfs/dbraw/zinc/44/07/41/505440741.db2.gz CUPHALHMGJHWDR-XPPIMPSXSA-N 2 1 373.585 3.112 20 0 FGADMP CC[NH+]1CCC(CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000555549726 505454148 /nfs/dbraw/zinc/45/41/48/505454148.db2.gz AGTGQUDMMNGGMK-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597524 505468481 /nfs/dbraw/zinc/46/84/81/505468481.db2.gz JMUCXPLSZFVPNV-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597524 505468485 /nfs/dbraw/zinc/46/84/85/505468485.db2.gz JMUCXPLSZFVPNV-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597524 505468488 /nfs/dbraw/zinc/46/84/88/505468488.db2.gz JMUCXPLSZFVPNV-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc(Br)cc3)C2)C1 ZINC000555597524 505468491 /nfs/dbraw/zinc/46/84/91/505468491.db2.gz JMUCXPLSZFVPNV-QGZVFWFLSA-N 2 1 353.304 3.246 20 0 FGADMP Cn1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000555611854 505474635 /nfs/dbraw/zinc/47/46/35/505474635.db2.gz DTJDUEVUSPYKCT-OAQYLSRUSA-N 2 1 353.510 3.044 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1)CC(C)C ZINC000561980425 505483899 /nfs/dbraw/zinc/48/38/99/505483899.db2.gz CPGABHSIPONHLO-UHFFFAOYSA-N 2 1 351.560 3.427 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038404 505498977 /nfs/dbraw/zinc/49/89/77/505498977.db2.gz PMLORSFWRVDKJU-KYJSFNMBSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038404 505498980 /nfs/dbraw/zinc/49/89/80/505498980.db2.gz PMLORSFWRVDKJU-KYJSFNMBSA-N 2 1 356.432 3.386 20 0 FGADMP C[C@H]1C[N@@H+](CCc2ccc(C(C)(C)C)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000564789356 505520728 /nfs/dbraw/zinc/52/07/28/505520728.db2.gz ABJYMYCBVGXUHW-SIKLNZKXSA-N 2 1 357.586 3.484 20 0 FGADMP CCc1[nH+]c2ccccc2c(NC[C@@H](C)CN2CC[NH+](CC)CC2)c1C ZINC000562240930 505549687 /nfs/dbraw/zinc/54/96/87/505549687.db2.gz NQMCHFGTZFTBQU-QGZVFWFLSA-N 2 1 354.542 3.213 20 0 FGADMP CC(C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790153 505563138 /nfs/dbraw/zinc/56/31/38/505563138.db2.gz QEEZJJOTWQOQGK-GXRSIYKFSA-N 2 1 364.574 3.405 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958821 505563170 /nfs/dbraw/zinc/56/31/70/505563170.db2.gz LBZZVWOGXCYMHW-OAQYLSRUSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564958821 505563172 /nfs/dbraw/zinc/56/31/72/505563172.db2.gz LBZZVWOGXCYMHW-OAQYLSRUSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000564987740 505565934 /nfs/dbraw/zinc/56/59/34/505565934.db2.gz HWXLQXUEUYWYHN-UCEGJLSESA-N 2 1 365.521 3.465 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599312389 506407740 /nfs/dbraw/zinc/40/77/40/506407740.db2.gz JIHFDNXNGTXPOX-OPYAIIAOSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000599313000 506407976 /nfs/dbraw/zinc/40/79/76/506407976.db2.gz XQMNDPDYAASGTE-VAMGGRTRSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000599313000 506407978 /nfs/dbraw/zinc/40/79/78/506407978.db2.gz XQMNDPDYAASGTE-VAMGGRTRSA-N 2 1 371.569 3.308 20 0 FGADMP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894728 506476950 /nfs/dbraw/zinc/47/69/50/506476950.db2.gz LZEUQJRQEYDIIA-LEWJYISDSA-N 2 1 366.509 3.156 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000582905852 506483534 /nfs/dbraw/zinc/48/35/34/506483534.db2.gz UKSIZDPLBXGLNA-OQRYQMPQSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000612218399 506486073 /nfs/dbraw/zinc/48/60/73/506486073.db2.gz GZQRIPVGCRWCAH-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608414576 506548921 /nfs/dbraw/zinc/54/89/21/506548921.db2.gz LKKJNKADIZTAAX-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C[N@@H+](C)C3CCC3)cc2)C1 ZINC000608500657 506588619 /nfs/dbraw/zinc/58/86/19/506588619.db2.gz QGKVMERACPHEFG-QZTJIDSGSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608650978 506649190 /nfs/dbraw/zinc/64/91/90/506649190.db2.gz VQGCYZVBDSVRCQ-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720933 506706694 /nfs/dbraw/zinc/70/66/94/506706694.db2.gz ZKUDBDFMQYQMBW-RBBKRZOGSA-N 2 1 371.569 3.350 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000600078537 506766998 /nfs/dbraw/zinc/76/69/98/506766998.db2.gz NFEKFTGZCGTRFR-LJQANCHMSA-N 2 1 368.525 3.170 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000597133940 506794014 /nfs/dbraw/zinc/79/40/14/506794014.db2.gz YEMOHDINSKOYRZ-INIZCTEOSA-N 2 1 350.890 3.290 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727786 506920790 /nfs/dbraw/zinc/92/07/90/506920790.db2.gz KMNNISKDQATGCJ-WOJBJXKFSA-N 2 1 359.558 3.381 20 0 FGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1Cl ZINC000604773681 506938025 /nfs/dbraw/zinc/93/80/25/506938025.db2.gz YBVLIXFXRYMYNT-RHSMWYFYSA-N 2 1 353.938 3.301 20 0 FGADMP CCc1ccc([C@@H](C)NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786687 506954566 /nfs/dbraw/zinc/95/45/66/506954566.db2.gz MLOJUABMHXWJRD-GOSISDBHSA-N 2 1 359.558 3.478 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccccc2Cl)CC1 ZINC000590786774 506957069 /nfs/dbraw/zinc/95/70/69/506957069.db2.gz MEEQFIDHOSJFPV-MRXNPFEDSA-N 2 1 365.949 3.397 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000590787101 506957305 /nfs/dbraw/zinc/95/73/05/506957305.db2.gz RVKUPEADHQHDOP-KRWDZBQOSA-N 2 1 363.521 3.397 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000590787135 506958865 /nfs/dbraw/zinc/95/88/65/506958865.db2.gz SSBOPYIMOXZCKA-AWEZNQCLSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000590787135 506958867 /nfs/dbraw/zinc/95/88/67/506958867.db2.gz SSBOPYIMOXZCKA-AWEZNQCLSA-N 2 1 353.457 3.344 20 0 FGADMP Cc1noc([C@@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000583828227 506997351 /nfs/dbraw/zinc/99/73/51/506997351.db2.gz QTJBEGZVROWINZ-IRXDYDNUSA-N 2 1 374.489 3.214 20 0 FGADMP Cc1noc([C@@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@H]2c2nc(C)no2)n1 ZINC000583828227 506997355 /nfs/dbraw/zinc/99/73/55/506997355.db2.gz QTJBEGZVROWINZ-IRXDYDNUSA-N 2 1 374.489 3.214 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584002339 507097559 /nfs/dbraw/zinc/09/75/59/507097559.db2.gz VIZLGLQRLYUPPL-KSSFIOAISA-N 2 1 351.922 3.131 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCCC1 ZINC000591073999 507101715 /nfs/dbraw/zinc/10/17/15/507101715.db2.gz WSHALGGFVVAUPB-LJQANCHMSA-N 2 1 373.541 3.156 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1cccc(OC)c1 ZINC000591095397 507111171 /nfs/dbraw/zinc/11/11/71/507111171.db2.gz KCTYJTVZNQMCIY-VQTJNVASSA-N 2 1 361.530 3.069 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000584200531 507207856 /nfs/dbraw/zinc/20/78/56/507207856.db2.gz CIZOUZZVQRXZST-WBVHZDCISA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000584200531 507207860 /nfs/dbraw/zinc/20/78/60/507207860.db2.gz CIZOUZZVQRXZST-WBVHZDCISA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000584200531 507207866 /nfs/dbraw/zinc/20/78/66/507207866.db2.gz CIZOUZZVQRXZST-WBVHZDCISA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584200531 507207869 /nfs/dbraw/zinc/20/78/69/507207869.db2.gz CIZOUZZVQRXZST-WBVHZDCISA-N 2 1 369.347 3.157 20 0 FGADMP C[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000605506337 507223104 /nfs/dbraw/zinc/22/31/04/507223104.db2.gz DGXANIOLPCZYBA-SFHVURJKSA-N 2 1 351.494 3.028 20 0 FGADMP C[C@@H](C(=O)N(CC[NH+](C)C)c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000605506337 507223113 /nfs/dbraw/zinc/22/31/13/507223113.db2.gz DGXANIOLPCZYBA-SFHVURJKSA-N 2 1 351.494 3.028 20 0 FGADMP C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000605506654 507223379 /nfs/dbraw/zinc/22/33/79/507223379.db2.gz YTNNNTGICKSAJZ-UTKZUKDTSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000605506654 507223381 /nfs/dbraw/zinc/22/33/81/507223381.db2.gz YTNNNTGICKSAJZ-UTKZUKDTSA-N 2 1 357.542 3.060 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000591417868 507243533 /nfs/dbraw/zinc/24/35/33/507243533.db2.gz QKLCASLIRUYZRX-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000591417868 507243544 /nfs/dbraw/zinc/24/35/44/507243544.db2.gz QKLCASLIRUYZRX-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCC[NH+](C)C2CCCC2)CC1 ZINC000591417868 507243550 /nfs/dbraw/zinc/24/35/50/507243550.db2.gz QKLCASLIRUYZRX-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538417 507281967 /nfs/dbraw/zinc/28/19/67/507281967.db2.gz RDRNEMBBZHUVOM-CTNGQTDRSA-N 2 1 372.557 3.243 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccc(C)c1 ZINC000605988258 507320004 /nfs/dbraw/zinc/32/00/04/507320004.db2.gz JROCWPJBYMNJON-OAQYLSRUSA-N 2 1 374.573 3.333 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1 ZINC000595061528 507373498 /nfs/dbraw/zinc/37/34/98/507373498.db2.gz ORAFYRDFXOBDHL-CCIIEHSASA-N 2 1 362.583 3.361 20 0 FGADMP COC(=O)CC1(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)CC1 ZINC000584533396 507397669 /nfs/dbraw/zinc/39/76/69/507397669.db2.gz YVDRJIYQYFACQK-INIZCTEOSA-N 2 1 350.528 3.154 20 0 FGADMP COC(=O)CC1(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533396 507397677 /nfs/dbraw/zinc/39/76/77/507397677.db2.gz YVDRJIYQYFACQK-INIZCTEOSA-N 2 1 350.528 3.154 20 0 FGADMP COC(=O)CC1(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533396 507397684 /nfs/dbraw/zinc/39/76/84/507397684.db2.gz YVDRJIYQYFACQK-INIZCTEOSA-N 2 1 350.528 3.154 20 0 FGADMP CN(c1ccccc1)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000584782182 507500779 /nfs/dbraw/zinc/50/07/79/507500779.db2.gz MSFAMNKLFNGBOW-IBGZPJMESA-N 2 1 366.509 3.037 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000584853592 507541527 /nfs/dbraw/zinc/54/15/27/507541527.db2.gz IGUPUYXXLYYJNY-SJLPKXTDSA-N 2 1 373.522 3.287 20 0 FGADMP CCOC(=O)c1csc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000584853592 507541534 /nfs/dbraw/zinc/54/15/34/507541534.db2.gz IGUPUYXXLYYJNY-SJLPKXTDSA-N 2 1 373.522 3.287 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606903154 507549627 /nfs/dbraw/zinc/54/96/27/507549627.db2.gz ILFRXGRWBJAWPW-CTNGQTDRSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000606903154 507549636 /nfs/dbraw/zinc/54/96/36/507549636.db2.gz ILFRXGRWBJAWPW-CTNGQTDRSA-N 2 1 374.569 3.450 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283583 507676705 /nfs/dbraw/zinc/67/67/05/507676705.db2.gz JNHDSGWAVBIHSF-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283583 507676710 /nfs/dbraw/zinc/67/67/10/507676710.db2.gz JNHDSGWAVBIHSF-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000607283583 507676713 /nfs/dbraw/zinc/67/67/13/507676713.db2.gz JNHDSGWAVBIHSF-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000607283583 507676717 /nfs/dbraw/zinc/67/67/17/507676717.db2.gz JNHDSGWAVBIHSF-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000607282904 507677754 /nfs/dbraw/zinc/67/77/54/507677754.db2.gz SKSRQGHQEDOLOZ-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000592506011 507684698 /nfs/dbraw/zinc/68/46/98/507684698.db2.gz DBJPGUKPIGNRHG-KSZLIROESA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000592506011 507684700 /nfs/dbraw/zinc/68/47/00/507684700.db2.gz DBJPGUKPIGNRHG-KSZLIROESA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000592506011 507684701 /nfs/dbraw/zinc/68/47/01/507684701.db2.gz DBJPGUKPIGNRHG-KSZLIROESA-N 2 1 364.578 3.059 20 0 FGADMP COC(=O)c1csc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000602520717 507736169 /nfs/dbraw/zinc/73/61/69/507736169.db2.gz IPRALNBAGKPPCP-OAHLLOKOSA-N 2 1 374.506 3.045 20 0 FGADMP COC(=O)c1csc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000602520717 507736175 /nfs/dbraw/zinc/73/61/75/507736175.db2.gz IPRALNBAGKPPCP-OAHLLOKOSA-N 2 1 374.506 3.045 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)[nH+]c1 ZINC000501560458 516154722 /nfs/dbraw/zinc/15/47/22/516154722.db2.gz IXBJOZYAMYQDQC-UHFFFAOYSA-N 2 1 361.534 3.146 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCC[N@H+](C)C2CCCCC2)[nH+]c1 ZINC000501560458 516154729 /nfs/dbraw/zinc/15/47/29/516154729.db2.gz IXBJOZYAMYQDQC-UHFFFAOYSA-N 2 1 361.534 3.146 20 0 FGADMP Cc1ccc(NCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[nH+]c1 ZINC000501407493 561596933 /nfs/dbraw/zinc/59/69/33/561596933.db2.gz QWVBLOHTFPAGSQ-GOSISDBHSA-N 2 1 361.534 3.002 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000821623126 599448117 /nfs/dbraw/zinc/44/81/17/599448117.db2.gz DFYVPFOBBRAPPZ-WMZOPIPTSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000821623126 599448119 /nfs/dbraw/zinc/44/81/19/599448119.db2.gz DFYVPFOBBRAPPZ-WMZOPIPTSA-N 2 1 368.510 3.101 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000128076712 700770632 /nfs/dbraw/zinc/77/06/32/700770632.db2.gz OWVVMLYLHHAPKY-QFBILLFUSA-N 2 1 363.933 3.285 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000130287610 700799160 /nfs/dbraw/zinc/79/91/60/700799160.db2.gz CITFRNIWVJJGKU-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000130287610 700799167 /nfs/dbraw/zinc/79/91/67/700799167.db2.gz CITFRNIWVJJGKU-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000157161277 705145940 /nfs/dbraw/zinc/14/59/40/705145940.db2.gz MSBHZKVDFVSIBI-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000157161424 705146033 /nfs/dbraw/zinc/14/60/33/705146033.db2.gz MSBHZKVDFVSIBI-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[NH+](C)[C@@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000177223902 705613270 /nfs/dbraw/zinc/61/32/70/705613270.db2.gz QEQZFWFJSARDEJ-SFHVURJKSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183686158 705897565 /nfs/dbraw/zinc/89/75/65/705897565.db2.gz LMMAXFSRQLQVRX-YJBOKZPZSA-N 2 1 351.535 3.381 20 0 FGADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192670541 712870074 /nfs/dbraw/zinc/87/00/74/712870074.db2.gz JUWDTROXFXYUMO-CHWSQXEVSA-N 2 1 360.329 3.376 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccccc2F)CC1 ZINC000193971696 713506245 /nfs/dbraw/zinc/50/62/45/713506245.db2.gz JTGJXLMFKJCDMR-GOSISDBHSA-N 2 1 352.494 3.009 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000245420313 713604905 /nfs/dbraw/zinc/60/49/05/713604905.db2.gz HMENNNJJZLMANN-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000245420313 713604907 /nfs/dbraw/zinc/60/49/07/713604907.db2.gz HMENNNJJZLMANN-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000245420313 713604909 /nfs/dbraw/zinc/60/49/09/713604909.db2.gz HMENNNJJZLMANN-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955061 713716421 /nfs/dbraw/zinc/71/64/21/713716421.db2.gz OOKQXYYAKMGISX-GJYPPUQNSA-N 2 1 363.933 3.024 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000310511944 713799308 /nfs/dbraw/zinc/79/93/08/713799308.db2.gz ORAYKFBZLVKXOG-XMTFNYHQSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000310511944 713799310 /nfs/dbraw/zinc/79/93/10/713799310.db2.gz ORAYKFBZLVKXOG-XMTFNYHQSA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000374815715 713945695 /nfs/dbraw/zinc/94/56/95/713945695.db2.gz PLMGEINYKJLFRE-FQEVSTJZSA-N 2 1 351.485 3.112 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](F)(c3ccccc3F)C2)CC1 ZINC000374815715 713945697 /nfs/dbraw/zinc/94/56/97/713945697.db2.gz PLMGEINYKJLFRE-FQEVSTJZSA-N 2 1 351.485 3.112 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462081 713982122 /nfs/dbraw/zinc/98/21/22/713982122.db2.gz BAXBERLKXYAXQN-FGTMMUONSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOC3CCCCCC3)CC2)CC1 ZINC000420979909 714011786 /nfs/dbraw/zinc/01/17/86/714011786.db2.gz LAJIUTPUUSYOCU-UHFFFAOYSA-N 2 1 351.579 3.218 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000521786311 714148275 /nfs/dbraw/zinc/14/82/75/714148275.db2.gz ZHEMQPVXFNLWTH-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@@H+]1C ZINC000525709049 714371008 /nfs/dbraw/zinc/37/10/08/714371008.db2.gz HWOKTCRGEOWGPK-WBMJQRKESA-N 2 1 351.288 3.297 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2=Cc3cc(Br)ccc3OC2)CC[N@H+]1C ZINC000525709049 714371009 /nfs/dbraw/zinc/37/10/09/714371009.db2.gz HWOKTCRGEOWGPK-WBMJQRKESA-N 2 1 351.288 3.297 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000617506263 714663485 /nfs/dbraw/zinc/66/34/85/714663485.db2.gz HTJVBFSMCRIWPI-FHERZECASA-N 2 1 365.484 3.133 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1CCC(C(F)(F)F)CC1 ZINC000617506263 714663487 /nfs/dbraw/zinc/66/34/87/714663487.db2.gz HTJVBFSMCRIWPI-FHERZECASA-N 2 1 365.484 3.133 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)CC1(C)C ZINC000623377046 715321009 /nfs/dbraw/zinc/32/10/09/715321009.db2.gz LKNVSADIFAOSPT-STQMWFEESA-N 2 1 361.313 3.196 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@]3(C)CCCS3)CC2)CC1 ZINC000628186430 716122164 /nfs/dbraw/zinc/12/21/64/716122164.db2.gz KKTDHABGOXKNRF-FQEVSTJZSA-N 3 1 353.620 3.400 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@]1(C)CCCS1 ZINC000628186430 716122168 /nfs/dbraw/zinc/12/21/68/716122168.db2.gz KKTDHABGOXKNRF-FQEVSTJZSA-N 3 1 353.620 3.400 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@]1(C)CCCS1 ZINC000628186430 716122170 /nfs/dbraw/zinc/12/21/70/716122170.db2.gz KKTDHABGOXKNRF-FQEVSTJZSA-N 3 1 353.620 3.400 20 0 FGADMP [NH3+]C1(C[NH2+][C@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000629519683 716302937 /nfs/dbraw/zinc/30/29/37/716302937.db2.gz CIPYEHUPDSYUED-HNNXBMFYSA-N 2 1 361.486 3.424 20 0 FGADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)cc1C(F)(F)F ZINC000629655506 716329913 /nfs/dbraw/zinc/32/99/13/716329913.db2.gz YHKITHRVGLWBPA-UHFFFAOYSA-N 2 1 369.225 3.136 20 0 FGADMP Cc1csc(CCCC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634703069 717109146 /nfs/dbraw/zinc/10/91/46/717109146.db2.gz PBPCTBSYSCBPET-FQEVSTJZSA-N 2 1 359.539 3.001 20 0 FGADMP Cc1csc(CCCC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000634703069 717109147 /nfs/dbraw/zinc/10/91/47/717109147.db2.gz PBPCTBSYSCBPET-FQEVSTJZSA-N 2 1 359.539 3.001 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602756 717180954 /nfs/dbraw/zinc/18/09/54/717180954.db2.gz JGCFTSQXWJPAAA-SUMDDJOVSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602756 717180959 /nfs/dbraw/zinc/18/09/59/717180959.db2.gz JGCFTSQXWJPAAA-SUMDDJOVSA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@H]2CC[N@H+]2C2CCCC2)[C@H]1c1cccs1 ZINC000635602756 717180962 /nfs/dbraw/zinc/18/09/62/717180962.db2.gz JGCFTSQXWJPAAA-SUMDDJOVSA-N 2 1 361.555 3.264 20 0 FGADMP Cc1ccsc1CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637907626 717389027 /nfs/dbraw/zinc/38/90/27/717389027.db2.gz OXHPZVJLYLKQRO-UHFFFAOYSA-N 2 1 357.523 3.056 20 0 FGADMP CC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000638109410 717408732 /nfs/dbraw/zinc/40/87/32/717408732.db2.gz DZSNXXHJGVYGEX-LBPRGKRZSA-N 2 1 358.313 3.072 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](OC)C2CCOCC2)CC1)CC1CC1 ZINC000638274189 717429527 /nfs/dbraw/zinc/42/95/27/717429527.db2.gz GRSNNOUNJXVLSD-NRFANRHFSA-N 2 1 352.563 3.262 20 0 FGADMP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000638294792 717431173 /nfs/dbraw/zinc/43/11/73/717431173.db2.gz RYEJZUMHBLZDNU-MRXNPFEDSA-N 2 1 368.308 3.122 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000638749114 717482134 /nfs/dbraw/zinc/48/21/34/717482134.db2.gz JIWNSEHVFYUYLS-IAGOWNOFSA-N 2 1 372.340 3.433 20 0 FGADMP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)sn1 ZINC000639210095 717531712 /nfs/dbraw/zinc/53/17/12/717531712.db2.gz GTCLKNYKLNVRTH-GOSISDBHSA-N 2 1 357.523 3.162 20 0 FGADMP c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)sn1 ZINC000639210095 717531719 /nfs/dbraw/zinc/53/17/19/717531719.db2.gz GTCLKNYKLNVRTH-GOSISDBHSA-N 2 1 357.523 3.162 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401809 718284046 /nfs/dbraw/zinc/28/40/46/718284046.db2.gz ZCULQYKRUUJMDJ-UHFFFAOYSA-N 2 1 350.532 3.237 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)CC1 ZINC000647172309 718337900 /nfs/dbraw/zinc/33/79/00/718337900.db2.gz RIILYZMPNKMKDR-UHFFFAOYSA-N 2 1 351.485 3.492 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975279 718390848 /nfs/dbraw/zinc/39/08/48/718390848.db2.gz UNVXOSCAAWXEFU-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975279 718390849 /nfs/dbraw/zinc/39/08/49/718390849.db2.gz UNVXOSCAAWXEFU-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975864 718390919 /nfs/dbraw/zinc/39/09/19/718390919.db2.gz HBJYRXWCUVRSIE-GVDBMIGSSA-N 2 1 361.555 3.447 20 0 FGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975656 718391000 /nfs/dbraw/zinc/39/10/00/718391000.db2.gz DDAIPNQFAKMEQP-JKSUJKDBSA-N 2 1 360.527 3.442 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc(-c3ccccc3F)s1)CCO2 ZINC000648071924 718397791 /nfs/dbraw/zinc/39/77/91/718397791.db2.gz AYIGDFLOKLVEQF-UHFFFAOYSA-N 2 1 361.486 3.246 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc(-c3ccccc3F)s1)CCO2 ZINC000648071924 718397793 /nfs/dbraw/zinc/39/77/93/718397793.db2.gz AYIGDFLOKLVEQF-UHFFFAOYSA-N 2 1 361.486 3.246 20 0 FGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000648896194 718457825 /nfs/dbraw/zinc/45/78/25/718457825.db2.gz UCMFARBWANQEOF-YOEHRIQHSA-N 2 1 362.905 3.469 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278910 718500584 /nfs/dbraw/zinc/50/05/84/718500584.db2.gz MVCMHFQBNAGXBL-NVXWUHKLSA-N 2 1 363.914 3.355 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC[C@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000650013246 718603330 /nfs/dbraw/zinc/60/33/30/718603330.db2.gz FNAHWLPVMZKFSD-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)C1CCCCC1 ZINC000650013246 718603333 /nfs/dbraw/zinc/60/33/33/718603333.db2.gz FNAHWLPVMZKFSD-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)C1CCCCC1 ZINC000650013246 718603335 /nfs/dbraw/zinc/60/33/35/718603335.db2.gz FNAHWLPVMZKFSD-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705365 718716417 /nfs/dbraw/zinc/71/64/17/718716417.db2.gz FKGVDJNUOKZWAV-ZMSDIMECSA-N 2 1 368.905 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706089 718717032 /nfs/dbraw/zinc/71/70/32/718717032.db2.gz CYPJWLKNUDHWSB-JZXOWHBKSA-N 2 1 354.441 3.049 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C2 ZINC000650709785 718718230 /nfs/dbraw/zinc/71/82/30/718718230.db2.gz QIDCSELHBSGWNH-QRFRQXIXSA-N 2 1 364.917 3.459 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)ccc1OC[C@@H]1CCCO1)C2 ZINC000650709785 718718232 /nfs/dbraw/zinc/71/82/32/718718232.db2.gz QIDCSELHBSGWNH-QRFRQXIXSA-N 2 1 364.917 3.459 20 0 FGADMP [NH3+]Cc1ccc(C[NH2+]Cc2cc(Br)cc3c2OCC3)c(F)c1 ZINC000650717452 718719134 /nfs/dbraw/zinc/71/91/34/718719134.db2.gz ARXCJBHQJJECRX-UHFFFAOYSA-N 2 1 365.246 3.272 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000650722094 718719959 /nfs/dbraw/zinc/71/99/59/718719959.db2.gz KPAGCEJWMYUJFD-VHDGCEQUSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OCC(F)F)cc2)C1 ZINC000650723792 718721258 /nfs/dbraw/zinc/72/12/58/718721258.db2.gz UDLFVGMWTCTLRW-NJAFHUGGSA-N 2 1 354.441 3.191 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[NH2+]CC[C@H]32)n1 ZINC001164410641 718876159 /nfs/dbraw/zinc/87/61/59/718876159.db2.gz FNHKGUNDXXYNEC-HUUCEWRRSA-N 2 1 359.543 3.091 20 0 FGADMP CC[N@H+](CCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000652237923 718925635 /nfs/dbraw/zinc/92/56/35/718925635.db2.gz LMGFNVWUBVEJFS-MRXNPFEDSA-N 2 1 367.559 3.029 20 0 FGADMP CC[N@@H+](CCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000652237923 718925637 /nfs/dbraw/zinc/92/56/37/718925637.db2.gz LMGFNVWUBVEJFS-MRXNPFEDSA-N 2 1 367.559 3.029 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347790 718934680 /nfs/dbraw/zinc/93/46/80/718934680.db2.gz LTCZYQFQHYVKST-QPSCCSFWSA-N 2 1 362.499 3.077 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348514 718935293 /nfs/dbraw/zinc/93/52/93/718935293.db2.gz GZLYHGVSGLYRSQ-TXPKVOOTSA-N 2 1 350.528 3.006 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361835 718936858 /nfs/dbraw/zinc/93/68/58/718936858.db2.gz QMVOXWXJVXBCBI-NEWSRXKRSA-N 2 1 352.906 3.470 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653119731 719013994 /nfs/dbraw/zinc/01/39/94/719013994.db2.gz UNVJCYZZALNTBR-MJGOQNOKSA-N 2 1 363.933 3.200 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653119731 719013998 /nfs/dbraw/zinc/01/39/98/719013998.db2.gz UNVJCYZZALNTBR-MJGOQNOKSA-N 2 1 363.933 3.200 20 0 FGADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655739145 719332656 /nfs/dbraw/zinc/33/26/56/719332656.db2.gz XSVASZJCAJCHAL-QUCCMNQESA-N 2 1 363.933 3.152 20 0 FGADMP Fc1cc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000655771820 719337652 /nfs/dbraw/zinc/33/76/52/719337652.db2.gz GRRBQSPYCATOAR-MRXNPFEDSA-N 2 1 356.869 3.091 20 0 FGADMP Fc1ccc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000655773297 719337833 /nfs/dbraw/zinc/33/78/33/719337833.db2.gz VDQXHXFYWOQQKY-INIZCTEOSA-N 2 1 356.869 3.091 20 0 FGADMP Fc1cccc(F)c1C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCC1 ZINC000655777287 719338573 /nfs/dbraw/zinc/33/85/73/719338573.db2.gz SJSVJJUMQIYRCJ-INIZCTEOSA-N 2 1 350.453 3.229 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(Cl)cc2Cl)c2c1CC[NH2+]C2 ZINC001164685666 719602458 /nfs/dbraw/zinc/60/24/58/719602458.db2.gz VMICDPXODAMVJB-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(Cl)cc2Cl)c2c1CC[NH2+]C2 ZINC001164685666 719602465 /nfs/dbraw/zinc/60/24/65/719602465.db2.gz VMICDPXODAMVJB-UHFFFAOYSA-N 2 1 354.285 3.060 20 0 FGADMP C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000781898480 724609447 /nfs/dbraw/zinc/60/94/47/724609447.db2.gz LXVQKKDZUQDCHC-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000781898480 724609451 /nfs/dbraw/zinc/60/94/51/724609451.db2.gz LXVQKKDZUQDCHC-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP Clc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658069633 719751111 /nfs/dbraw/zinc/75/11/11/719751111.db2.gz PNXQKAAFPRPMLT-WMZOPIPTSA-N 2 1 363.933 3.009 20 0 FGADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000659453200 719915693 /nfs/dbraw/zinc/91/56/93/719915693.db2.gz WOMUGDRGZQFAPX-QGZVFWFLSA-N 2 1 366.937 3.073 20 0 FGADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000659453200 719915696 /nfs/dbraw/zinc/91/56/96/719915696.db2.gz WOMUGDRGZQFAPX-QGZVFWFLSA-N 2 1 366.937 3.073 20 0 FGADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251093 720405380 /nfs/dbraw/zinc/40/53/80/720405380.db2.gz YOUNIVDGWJNCQN-MRXNPFEDSA-N 2 1 353.304 3.181 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)C1 ZINC000662280253 720409044 /nfs/dbraw/zinc/40/90/44/720409044.db2.gz BRSMBNYCVHCFSI-RDJZCZTQSA-N 2 1 358.404 3.145 20 0 FGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662285246 720409877 /nfs/dbraw/zinc/40/98/77/720409877.db2.gz IBRXUXQAGAPKJI-BXWFABGCSA-N 2 1 350.528 3.006 20 0 FGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290627 720410590 /nfs/dbraw/zinc/41/05/90/720410590.db2.gz GSOLGHKLZWHVND-NVXWUHKLSA-N 2 1 361.555 3.447 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nn2)cc1 ZINC000662291942 720411054 /nfs/dbraw/zinc/41/10/54/720411054.db2.gz ATQWCPLGELOBHT-MRXNPFEDSA-N 2 1 359.905 3.132 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NCc1ccccc1Cl ZINC000662296497 720411498 /nfs/dbraw/zinc/41/14/98/720411498.db2.gz LCNFNWXVVZKYAU-SFHVURJKSA-N 2 1 363.933 3.058 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)[C@@H]1CCC[NH3+] ZINC000662317300 720414436 /nfs/dbraw/zinc/41/44/36/720414436.db2.gz PRKCZXCDSDRVSQ-MLGOLLRUSA-N 2 1 350.413 3.354 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420351 720426606 /nfs/dbraw/zinc/42/66/06/720426606.db2.gz FPFKVPQDFFJVJO-SUMWQHHRSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420351 720426610 /nfs/dbraw/zinc/42/66/10/720426610.db2.gz FPFKVPQDFFJVJO-SUMWQHHRSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)NCCC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662432980 720427535 /nfs/dbraw/zinc/42/75/35/720427535.db2.gz WTFRDIYZZZOIIL-INIZCTEOSA-N 2 1 358.313 3.102 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662470373 720431844 /nfs/dbraw/zinc/43/18/44/720431844.db2.gz GKLFYMSZBLOWHV-DYVFJYSZSA-N 2 1 370.324 3.198 20 0 FGADMP Clc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(-n2cncn2)c1 ZINC000663343827 720503152 /nfs/dbraw/zinc/50/31/52/720503152.db2.gz GEKPYMRSXUWRPU-MRXNPFEDSA-N 2 1 359.905 3.132 20 0 FGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC3(C2)CC[N@H+](CC2CC2)C3)n1 ZINC001164772459 721290885 /nfs/dbraw/zinc/29/08/85/721290885.db2.gz GVLMNJDNEHGRJN-UHFFFAOYSA-N 2 1 360.933 3.253 20 0 FGADMP Clc1ccc(C[NH+]2CCCC2)c(N2CC3(C2)CC[N@@H+](CC2CC2)C3)n1 ZINC001164772459 721290888 /nfs/dbraw/zinc/29/08/88/721290888.db2.gz GVLMNJDNEHGRJN-UHFFFAOYSA-N 2 1 360.933 3.253 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586998 721314670 /nfs/dbraw/zinc/31/46/70/721314670.db2.gz IHIASNZUGCXEDV-SJLPKXTDSA-N 2 1 364.555 3.190 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586998 721314673 /nfs/dbraw/zinc/31/46/73/721314673.db2.gz IHIASNZUGCXEDV-SJLPKXTDSA-N 2 1 364.555 3.190 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739630 721345801 /nfs/dbraw/zinc/34/58/01/721345801.db2.gz NTLBAVKCHRXCLI-IBGZPJMESA-N 2 1 357.523 3.150 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668739630 721345823 /nfs/dbraw/zinc/34/58/23/721345823.db2.gz NTLBAVKCHRXCLI-IBGZPJMESA-N 2 1 357.523 3.150 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000674881030 721718908 /nfs/dbraw/zinc/71/89/08/721718908.db2.gz XFXCYILYMSKYRT-SFHVURJKSA-N 2 1 357.523 3.156 20 0 FGADMP FC(F)O[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](OC(F)F)C2)C1 ZINC000679680170 722040470 /nfs/dbraw/zinc/04/04/70/722040470.db2.gz XIRWAXYIEOAIAV-ZIAGYGMSSA-N 2 1 356.404 3.174 20 0 FGADMP Cc1nc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)cc(N(C)C)[nH+]1 ZINC001164992886 722192856 /nfs/dbraw/zinc/19/28/56/722192856.db2.gz BZHPYPCXGRVLQQ-OAQYLSRUSA-N 2 1 369.488 3.235 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000682404762 722245538 /nfs/dbraw/zinc/24/55/38/722245538.db2.gz KPVDYNHBUGSNHQ-SFHVURJKSA-N 2 1 355.448 3.226 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000682404762 722245540 /nfs/dbraw/zinc/24/55/40/722245540.db2.gz KPVDYNHBUGSNHQ-SFHVURJKSA-N 2 1 355.448 3.226 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cn2c(C)c(C)n(CCOC)c2=S)CC1 ZINC000738071461 722528304 /nfs/dbraw/zinc/52/83/04/722528304.db2.gz RGSBQKIDWJRARJ-UHFFFAOYSA-N 2 1 368.591 3.294 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886770 722539184 /nfs/dbraw/zinc/53/91/84/722539184.db2.gz ZJKWFLWLJKLAGY-KSZLIROESA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886770 722539185 /nfs/dbraw/zinc/53/91/85/722539185.db2.gz ZJKWFLWLJKLAGY-KSZLIROESA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC000740886770 722539186 /nfs/dbraw/zinc/53/91/86/722539186.db2.gz ZJKWFLWLJKLAGY-KSZLIROESA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000745735860 722590037 /nfs/dbraw/zinc/59/00/37/722590037.db2.gz KFAKVJWAEGFIRJ-DLBZAZTESA-N 2 1 366.575 3.175 20 0 FGADMP CCCCSCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000750852199 722783557 /nfs/dbraw/zinc/78/35/57/722783557.db2.gz PBBDBDJLAPQAAZ-UHFFFAOYSA-N 2 1 369.619 3.174 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764469280 723416137 /nfs/dbraw/zinc/41/61/37/723416137.db2.gz OFFNEQUQIJXHFM-CRAIPNDOSA-N 2 1 369.525 3.459 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(SC(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000764469280 723416138 /nfs/dbraw/zinc/41/61/38/723416138.db2.gz OFFNEQUQIJXHFM-CRAIPNDOSA-N 2 1 369.525 3.459 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000765806409 723542080 /nfs/dbraw/zinc/54/20/80/723542080.db2.gz CCFKJKYEGPYQBS-LSTHTHJFSA-N 2 1 368.949 3.274 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC000795126448 723565533 /nfs/dbraw/zinc/56/55/33/723565533.db2.gz WJRBJCJIGHDRSD-ROUUACIJSA-N 2 1 351.535 3.194 20 0 FGADMP CC[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000766379318 723570658 /nfs/dbraw/zinc/57/06/58/723570658.db2.gz CPUQZRSJAJCWDU-MRXNPFEDSA-N 2 1 365.587 3.436 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCN1C(=O)OC(C)(C)C ZINC000796358518 723634354 /nfs/dbraw/zinc/63/43/54/723634354.db2.gz GUBZQIWJWZSEMU-UONOGXRCSA-N 2 1 368.547 3.082 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000796649174 723648513 /nfs/dbraw/zinc/64/85/13/723648513.db2.gz GYYGXUNABQCIOK-HLLBOEOZSA-N 2 1 350.507 3.205 20 0 FGADMP CC[C@@H](C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000768200991 723650404 /nfs/dbraw/zinc/65/04/04/723650404.db2.gz SBPRRVLIHAJCNS-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(Br)c(F)c1 ZINC000768513413 723659916 /nfs/dbraw/zinc/65/99/16/723659916.db2.gz ZKEOJGXNAWJJKF-FPMFFAJLSA-N 2 1 357.267 3.102 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)CC2)nc(C)[nH+]1 ZINC000775396017 723988097 /nfs/dbraw/zinc/98/80/97/723988097.db2.gz OTRALUDYNXPHCI-RYRKJORJSA-N 2 1 364.584 3.031 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775637910 724013364 /nfs/dbraw/zinc/01/33/64/724013364.db2.gz BUHAVTLXAOTPNH-INIZCTEOSA-N 2 1 370.266 3.149 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(F)c(Br)c1 ZINC000775637910 724013366 /nfs/dbraw/zinc/01/33/66/724013366.db2.gz BUHAVTLXAOTPNH-INIZCTEOSA-N 2 1 370.266 3.149 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776606828 724163927 /nfs/dbraw/zinc/16/39/27/724163927.db2.gz OJUVCSBQWARUKZ-CVEARBPZSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000776606828 724163928 /nfs/dbraw/zinc/16/39/28/724163928.db2.gz OJUVCSBQWARUKZ-CVEARBPZSA-N 2 1 350.507 3.301 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(Cl)n1 ZINC000800857347 724238232 /nfs/dbraw/zinc/23/82/32/724238232.db2.gz PEBTUJJDAHRKFF-UHFFFAOYSA-N 2 1 350.938 3.368 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510064 724859948 /nfs/dbraw/zinc/85/99/48/724859948.db2.gz JIFAVBLTEUCOLC-XWTMOSNGSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510064 724859949 /nfs/dbraw/zinc/85/99/49/724859949.db2.gz JIFAVBLTEUCOLC-XWTMOSNGSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510064 724859950 /nfs/dbraw/zinc/85/99/50/724859950.db2.gz JIFAVBLTEUCOLC-XWTMOSNGSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[N@H+](C)C[C@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340082 725025627 /nfs/dbraw/zinc/02/56/27/725025627.db2.gz BMIYLIKUZVOBFF-KGLIPLIRSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340082 725025629 /nfs/dbraw/zinc/02/56/29/725025629.db2.gz BMIYLIKUZVOBFF-KGLIPLIRSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+]1CCC(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000788479631 725066771 /nfs/dbraw/zinc/06/67/71/725066771.db2.gz XUVWZTWGXAWWKK-QGZVFWFLSA-N 2 1 353.304 3.164 20 0 FGADMP C[NH+]1CCC(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000788479630 725066838 /nfs/dbraw/zinc/06/68/38/725066838.db2.gz XUVWZTWGXAWWKK-KRWDZBQOSA-N 2 1 353.304 3.164 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000788508957 725068890 /nfs/dbraw/zinc/06/88/90/725068890.db2.gz WIDSVEWUZUIOEJ-DLBZAZTESA-N 2 1 353.551 3.486 20 0 FGADMP Clc1ccc2c(n1)CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000806127859 725116800 /nfs/dbraw/zinc/11/68/00/725116800.db2.gz KQBSQOCEYPXVDL-SFHVURJKSA-N 2 1 357.885 3.344 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559609 725247400 /nfs/dbraw/zinc/24/74/00/725247400.db2.gz VLFHRPSTVVQCBX-MRXNPFEDSA-N 2 1 367.559 3.335 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559609 725247403 /nfs/dbraw/zinc/24/74/03/725247403.db2.gz VLFHRPSTVVQCBX-MRXNPFEDSA-N 2 1 367.559 3.335 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559609 725247406 /nfs/dbraw/zinc/24/74/06/725247406.db2.gz VLFHRPSTVVQCBX-MRXNPFEDSA-N 2 1 367.559 3.335 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCNC(=O)OC(C)(C)C)C2)s1 ZINC000809559609 725247410 /nfs/dbraw/zinc/24/74/10/725247410.db2.gz VLFHRPSTVVQCBX-MRXNPFEDSA-N 2 1 367.559 3.335 20 0 FGADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247736 725299620 /nfs/dbraw/zinc/29/96/20/725299620.db2.gz WKYCIAAFVXMNNO-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247736 725299622 /nfs/dbraw/zinc/29/96/22/725299622.db2.gz WKYCIAAFVXMNNO-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247736 725299623 /nfs/dbraw/zinc/29/96/23/725299623.db2.gz WKYCIAAFVXMNNO-PDOICOKGSA-N 2 1 351.535 3.096 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000810417071 725306855 /nfs/dbraw/zinc/30/68/55/725306855.db2.gz DLHZBOROVYNDAL-FQEVSTJZSA-N 2 1 355.542 3.169 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810417071 725306856 /nfs/dbraw/zinc/30/68/56/725306856.db2.gz DLHZBOROVYNDAL-FQEVSTJZSA-N 2 1 355.542 3.169 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810417071 725306857 /nfs/dbraw/zinc/30/68/57/725306857.db2.gz DLHZBOROVYNDAL-FQEVSTJZSA-N 2 1 355.542 3.169 20 0 FGADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)nc1 ZINC000817983925 727290425 /nfs/dbraw/zinc/29/04/25/727290425.db2.gz LURMKSVFOBUBAP-MRXNPFEDSA-N 2 1 358.917 3.379 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819152585 727353136 /nfs/dbraw/zinc/35/31/36/727353136.db2.gz XFMZTLPYYUSROV-YOEHRIQHSA-N 2 1 355.320 3.050 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1cccc(Cl)c1 ZINC000871784853 735546025 /nfs/dbraw/zinc/54/60/25/735546025.db2.gz IZTZLUHPZZERFB-KPGMEVQCSA-N 2 1 364.877 3.038 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1cccc(Cl)c1 ZINC000871784853 735546030 /nfs/dbraw/zinc/54/60/30/735546030.db2.gz IZTZLUHPZZERFB-KPGMEVQCSA-N 2 1 364.877 3.038 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822463645 729177552 /nfs/dbraw/zinc/17/75/52/729177552.db2.gz HRAFATYBOMXLRI-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465425 729283085 /nfs/dbraw/zinc/28/30/85/729283085.db2.gz YBXSPPPMZBIYIN-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465425 729283086 /nfs/dbraw/zinc/28/30/86/729283086.db2.gz YBXSPPPMZBIYIN-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823465425 729283088 /nfs/dbraw/zinc/28/30/88/729283088.db2.gz YBXSPPPMZBIYIN-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)C1 ZINC000823699077 729299618 /nfs/dbraw/zinc/29/96/18/729299618.db2.gz ZUDPOVAXFHZTKF-RCCFBDPRSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824991890 729366995 /nfs/dbraw/zinc/36/69/95/729366995.db2.gz ATTDHHXVJFPTDT-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000825762167 729394452 /nfs/dbraw/zinc/39/44/52/729394452.db2.gz COQAPFKGAJSKBG-UHFFFAOYSA-N 2 1 356.283 3.291 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000825762167 729394454 /nfs/dbraw/zinc/39/44/54/729394454.db2.gz COQAPFKGAJSKBG-UHFFFAOYSA-N 2 1 356.283 3.291 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049288 729439222 /nfs/dbraw/zinc/43/92/22/729439222.db2.gz QPIFBAHEGVMNIG-DLBZAZTESA-N 2 1 366.937 3.204 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)OC1CCCC1 ZINC000830809182 729594807 /nfs/dbraw/zinc/59/48/07/729594807.db2.gz YGALQAAQQBDYIS-UHFFFAOYSA-N 2 1 351.535 3.194 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522430 729648925 /nfs/dbraw/zinc/64/89/25/729648925.db2.gz MGONBEUNVQKHGO-LNLFQRSKSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831522430 729648928 /nfs/dbraw/zinc/64/89/28/729648928.db2.gz MGONBEUNVQKHGO-LNLFQRSKSA-N 2 1 367.896 3.247 20 0 FGADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC000842673133 730528952 /nfs/dbraw/zinc/52/89/52/730528952.db2.gz FJVZEQRCPUYDDC-FGTMMUONSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)C(C)C ZINC000842673133 730528956 /nfs/dbraw/zinc/52/89/56/730528956.db2.gz FJVZEQRCPUYDDC-FGTMMUONSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363556 730611120 /nfs/dbraw/zinc/61/11/20/730611120.db2.gz WQTVZPSQHHLZQE-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363556 730611122 /nfs/dbraw/zinc/61/11/22/730611122.db2.gz WQTVZPSQHHLZQE-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927937 730910299 /nfs/dbraw/zinc/91/02/99/730910299.db2.gz ZESFNQBZYBRRML-VEZWFGLTSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1 ZINC000845927937 730910301 /nfs/dbraw/zinc/91/03/01/730910301.db2.gz ZESFNQBZYBRRML-VEZWFGLTSA-N 2 1 353.551 3.390 20 0 FGADMP Clc1ccc2nc(Cl)c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000848599588 731186637 /nfs/dbraw/zinc/18/66/37/731186637.db2.gz NDMIDYCLOUQPKX-INIZCTEOSA-N 2 1 365.308 3.021 20 0 FGADMP Clc1ccc2nc(Cl)c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000848599588 731186639 /nfs/dbraw/zinc/18/66/39/731186639.db2.gz NDMIDYCLOUQPKX-INIZCTEOSA-N 2 1 365.308 3.021 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849091097 731228051 /nfs/dbraw/zinc/22/80/51/731228051.db2.gz IZTAFVUQFFPQOH-ZDUSSCGKSA-N 2 1 358.408 3.074 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107749 731544289 /nfs/dbraw/zinc/54/42/89/731544289.db2.gz PVCWTWPKIDHXTE-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107749 731544293 /nfs/dbraw/zinc/54/42/93/731544293.db2.gz PVCWTWPKIDHXTE-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107749 731544297 /nfs/dbraw/zinc/54/42/97/731544297.db2.gz PVCWTWPKIDHXTE-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852890668 731642936 /nfs/dbraw/zinc/64/29/36/731642936.db2.gz UXIGSKQYFIZHLA-IEBWSBKVSA-N 2 1 365.880 3.040 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)C=C2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000852890668 731642939 /nfs/dbraw/zinc/64/29/39/731642939.db2.gz UXIGSKQYFIZHLA-IEBWSBKVSA-N 2 1 365.880 3.040 20 0 FGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000853092969 731664290 /nfs/dbraw/zinc/66/42/90/731664290.db2.gz XBZVEOVEARWQQM-INIZCTEOSA-N 2 1 350.478 3.329 20 0 FGADMP COC(OC)c1ccc(F)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000853092969 731664293 /nfs/dbraw/zinc/66/42/93/731664293.db2.gz XBZVEOVEARWQQM-INIZCTEOSA-N 2 1 350.478 3.329 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853239151 731686218 /nfs/dbraw/zinc/68/62/18/731686218.db2.gz BHDBEGVTDJWYPK-ZACQAIPSSA-N 2 1 358.473 3.065 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000853247240 731687467 /nfs/dbraw/zinc/68/74/67/731687467.db2.gz IRYCRHJUQXNJLG-QGZVFWFLSA-N 2 1 352.885 3.495 20 0 FGADMP Cc1cnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)s1 ZINC000856558115 732039219 /nfs/dbraw/zinc/03/92/19/732039219.db2.gz FBNCJOIOFILSDX-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cnc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)s1 ZINC000856558115 732039225 /nfs/dbraw/zinc/03/92/25/732039225.db2.gz FBNCJOIOFILSDX-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cnc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856558115 732039227 /nfs/dbraw/zinc/03/92/27/732039227.db2.gz FBNCJOIOFILSDX-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cnc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)s1 ZINC000856558115 732039231 /nfs/dbraw/zinc/03/92/31/732039231.db2.gz FBNCJOIOFILSDX-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119418 732182613 /nfs/dbraw/zinc/18/26/13/732182613.db2.gz PISIPXVCVHODFH-BBWFWOEESA-N 2 1 353.551 3.484 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cnc21 ZINC000865438286 733201111 /nfs/dbraw/zinc/20/11/11/733201111.db2.gz RPNPGDFVPAKBGO-HNNXBMFYSA-N 2 1 355.511 3.032 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cnc21 ZINC000865438286 733201116 /nfs/dbraw/zinc/20/11/16/733201116.db2.gz RPNPGDFVPAKBGO-HNNXBMFYSA-N 2 1 355.511 3.032 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641076 733243691 /nfs/dbraw/zinc/24/36/91/733243691.db2.gz SMCOCTUVRQTWBG-KGLIPLIRSA-N 2 1 367.456 3.154 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151815 735596432 /nfs/dbraw/zinc/59/64/32/735596432.db2.gz XTTCGBLPUYMGJW-WCQYABFASA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872151815 735596435 /nfs/dbraw/zinc/59/64/35/735596435.db2.gz XTTCGBLPUYMGJW-WCQYABFASA-N 2 1 356.310 3.197 20 0 FGADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231747 735740819 /nfs/dbraw/zinc/74/08/19/735740819.db2.gz DCCZCTPOWPYDBM-CRAIPNDOSA-N 2 1 350.576 3.324 20 0 FGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3c(ccnc3Cl)o2)CC1 ZINC000877089530 736185992 /nfs/dbraw/zinc/18/59/92/736185992.db2.gz NTULEBWEJUCEBQ-IRXDYDNUSA-N 2 1 363.889 3.339 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107126 736772793 /nfs/dbraw/zinc/77/27/93/736772793.db2.gz LYWRBAWVUFXGHB-HSALFYBXSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107126 736772798 /nfs/dbraw/zinc/77/27/98/736772798.db2.gz LYWRBAWVUFXGHB-HSALFYBXSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107126 736772803 /nfs/dbraw/zinc/77/28/03/736772803.db2.gz LYWRBAWVUFXGHB-HSALFYBXSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CCC3(CCOCC3)O2)C1 ZINC000878107126 736772809 /nfs/dbraw/zinc/77/28/09/736772809.db2.gz LYWRBAWVUFXGHB-HSALFYBXSA-N 2 1 350.547 3.301 20 0 FGADMP CC(C)C[N@@H+](Cc1nnc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000879703611 737035171 /nfs/dbraw/zinc/03/51/71/737035171.db2.gz PZDKMGHWPOTLBU-UHFFFAOYSA-N 2 1 350.454 3.357 20 0 FGADMP CC(C)C[N@H+](Cc1nnc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000879703611 737035173 /nfs/dbraw/zinc/03/51/73/737035173.db2.gz PZDKMGHWPOTLBU-UHFFFAOYSA-N 2 1 350.454 3.357 20 0 FGADMP C(=C\C[N@H+]1CC[C@H](c2nccs2)C1)\C[NH+]1CC[C@H](c2nccs2)C1 ZINC000880319179 737154471 /nfs/dbraw/zinc/15/44/71/737154471.db2.gz CCPUHYXATKEPEP-GTVVJKOOSA-N 2 1 360.552 3.435 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000891877096 739946908 /nfs/dbraw/zinc/94/69/08/739946908.db2.gz UYXAILAGTOUOJV-FQEVSTJZSA-N 2 1 353.551 3.486 20 0 FGADMP Fc1ccc(C2CC([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c(F)c1 ZINC000892928565 740059682 /nfs/dbraw/zinc/05/96/82/740059682.db2.gz JFQXBSSMLZCEKK-UHFFFAOYSA-N 2 1 350.453 3.445 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)C[C@H]1C(F)(F)F ZINC000894454898 742285815 /nfs/dbraw/zinc/28/58/15/742285815.db2.gz BRVMVSOVWWYBPD-CAOSSQGBSA-N 2 1 364.452 3.217 20 0 FGADMP CC(C)C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000902863420 743781998 /nfs/dbraw/zinc/78/19/98/743781998.db2.gz YSYWXFOXDXRFSD-FQEVSTJZSA-N 2 1 352.563 3.452 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1 ZINC000903496678 743856311 /nfs/dbraw/zinc/85/63/11/743856311.db2.gz YIRFKMUIEVBSFY-MGPQQGTHSA-N 2 1 368.319 3.001 20 0 FGADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(Br)c1 ZINC000903496678 743856313 /nfs/dbraw/zinc/85/63/13/743856313.db2.gz YIRFKMUIEVBSFY-MGPQQGTHSA-N 2 1 368.319 3.001 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCS[C@H](C)[C@@H]2c2ccccc2)cnn1C ZINC000903894582 743893779 /nfs/dbraw/zinc/89/37/79/743893779.db2.gz ACTNNKBQHXJWPU-MBOZVWFJSA-N 2 1 358.555 3.025 20 0 FGADMP [NH3+][C@@H](CC(F)F)CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903906804 743895313 /nfs/dbraw/zinc/89/53/13/743895313.db2.gz ZDKNARCAXOMYOC-HNNXBMFYSA-N 2 1 365.390 3.196 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932828 743900492 /nfs/dbraw/zinc/90/04/92/743900492.db2.gz WECAQIZCLFNTDQ-PBHICJAKSA-N 2 1 359.905 3.018 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371863 743949945 /nfs/dbraw/zinc/94/99/45/743949945.db2.gz VGFVTFVBZAKLEX-BDXSIMOUSA-N 2 1 351.535 3.225 20 0 FGADMP C[N@@H+](CC(=O)Nc1cc(Cl)ccc1OC1CC[NH+](C)CC1)C1CCC1 ZINC000909378814 744358589 /nfs/dbraw/zinc/35/85/89/744358589.db2.gz OCIHZRUVVVTISV-UHFFFAOYSA-N 2 1 365.905 3.236 20 0 FGADMP Cc1nn(C)c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)c1Cl ZINC000922116888 758852290 /nfs/dbraw/zinc/85/22/90/758852290.db2.gz WQBZXPXXBLDSCT-UHFFFAOYSA-N 2 1 362.905 3.145 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386757 758909041 /nfs/dbraw/zinc/90/90/41/758909041.db2.gz IHGWDKNHIQNPEE-XLMAVXFVSA-N 2 1 374.497 3.305 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386807 758909208 /nfs/dbraw/zinc/90/92/08/758909208.db2.gz IRWZCYPOXMOFAU-XOUADPBQSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccccc1Br)C2 ZINC000922388792 758910084 /nfs/dbraw/zinc/91/00/84/758910084.db2.gz RGXGRDFFPRTWDK-ZJPYXAASSA-N 2 1 367.331 3.018 20 0 FGADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@H]1C(C)C ZINC000922392793 758912789 /nfs/dbraw/zinc/91/27/89/758912789.db2.gz OASSBASLNBMIRV-WOCWXWTJSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3csc(C(C)(C)C)n3)C2)[C@H]1C(C)C ZINC000922392793 758912792 /nfs/dbraw/zinc/91/27/92/758912792.db2.gz OASSBASLNBMIRV-WOCWXWTJSA-N 2 1 365.587 3.400 20 0 FGADMP Brc1ccc([C@H]2CCC[N@H+]2C[C@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375747 759108038 /nfs/dbraw/zinc/10/80/38/759108038.db2.gz DAFABLAMHHRLLV-VXGBXAGGSA-N 2 1 357.317 3.026 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488555 759130589 /nfs/dbraw/zinc/13/05/89/759130589.db2.gz CEXJQFOSJHDXQY-CXAGYDPISA-N 2 1 370.324 3.328 20 0 FGADMP C[C@@H]1C[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@@H]1C[NH3+] ZINC000923492657 759130744 /nfs/dbraw/zinc/13/07/44/759130744.db2.gz YNQXQRVPNFKERN-GHMZBOCLSA-N 2 1 355.269 3.460 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)CC[C@@H]1C[NH3+] ZINC000923492657 759130749 /nfs/dbraw/zinc/13/07/49/759130749.db2.gz YNQXQRVPNFKERN-GHMZBOCLSA-N 2 1 355.269 3.460 20 0 FGADMP C[C@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@H]1C[NH3+] ZINC000923496371 759131934 /nfs/dbraw/zinc/13/19/34/759131934.db2.gz BPBWOQLDKYCFLX-AAEUAGOBSA-N 2 1 354.376 3.172 20 0 FGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000924811129 759396613 /nfs/dbraw/zinc/39/66/13/759396613.db2.gz OTXCDEFSUOIPKG-MRXNPFEDSA-N 2 1 352.544 3.251 20 0 FGADMP CC1(C)[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925662479 759519556 /nfs/dbraw/zinc/51/95/56/759519556.db2.gz IWPRTNXGXMMZLN-GADNRMJZSA-N 2 1 359.480 3.158 20 0 FGADMP COC[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C ZINC000929810839 760461201 /nfs/dbraw/zinc/46/12/01/760461201.db2.gz YZEIZOOKBJFOLG-FQEVSTJZSA-N 2 1 353.595 3.033 20 0 FGADMP COC[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000929810839 760461208 /nfs/dbraw/zinc/46/12/08/760461208.db2.gz YZEIZOOKBJFOLG-FQEVSTJZSA-N 3 1 353.595 3.033 20 0 FGADMP COC[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000929810839 760461213 /nfs/dbraw/zinc/46/12/13/760461213.db2.gz YZEIZOOKBJFOLG-FQEVSTJZSA-N 3 1 353.595 3.033 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000930001829 760509699 /nfs/dbraw/zinc/50/96/99/760509699.db2.gz WZFWANIRMFOQSF-BDXSIMOUSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CC1 ZINC000930626540 760658503 /nfs/dbraw/zinc/65/85/03/760658503.db2.gz MWLBUIPZIMKHQP-QZTJIDSGSA-N 2 1 352.469 3.108 20 0 FGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000931349388 760835343 /nfs/dbraw/zinc/83/53/43/760835343.db2.gz CTEUCTVBDNOFKD-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccc(Cl)s2)CC[N@H+]1C ZINC000960641899 762736650 /nfs/dbraw/zinc/73/66/50/762736650.db2.gz NXCUSSZYNXITPU-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000960641899 762736656 /nfs/dbraw/zinc/73/66/56/762736656.db2.gz NXCUSSZYNXITPU-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccc(Cl)s2)CC[NH+]1C ZINC000960641899 762736659 /nfs/dbraw/zinc/73/66/59/762736659.db2.gz NXCUSSZYNXITPU-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC000969691680 762861008 /nfs/dbraw/zinc/86/10/08/762861008.db2.gz WSQJLVJNORNKPI-VBNZEHGJSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000969691680 762861015 /nfs/dbraw/zinc/86/10/15/762861015.db2.gz WSQJLVJNORNKPI-VBNZEHGJSA-N 2 1 369.962 3.068 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193864 763463287 /nfs/dbraw/zinc/46/32/87/763463287.db2.gz IBQXAKNSZRCEGB-VQIMIIECSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193864 763463289 /nfs/dbraw/zinc/46/32/89/763463289.db2.gz IBQXAKNSZRCEGB-VQIMIIECSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193864 763463293 /nfs/dbraw/zinc/46/32/93/763463293.db2.gz IBQXAKNSZRCEGB-VQIMIIECSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193864 763463297 /nfs/dbraw/zinc/46/32/97/763463297.db2.gz IBQXAKNSZRCEGB-VQIMIIECSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cc(Cl)ccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000996606353 765021458 /nfs/dbraw/zinc/02/14/58/765021458.db2.gz GHYAVWAFQFZBDF-DNVCBOLYSA-N 2 1 363.933 3.069 20 0 FGADMP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000997094603 765044574 /nfs/dbraw/zinc/04/45/74/765044574.db2.gz UKVURVBQRIZOGV-LSTHTHJFSA-N 2 1 351.579 3.370 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@@H+]1C ZINC001018867134 765847379 /nfs/dbraw/zinc/84/73/79/765847379.db2.gz IBLIBPVKNUPCDO-HZSPNIEDSA-N 2 1 370.324 3.024 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@H+]1C ZINC001018867134 765847386 /nfs/dbraw/zinc/84/73/86/765847386.db2.gz IBLIBPVKNUPCDO-HZSPNIEDSA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+](Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001023381590 766036134 /nfs/dbraw/zinc/03/61/34/766036134.db2.gz QKAYPUCTKFZJQJ-YTQUADARSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001023381590 766036143 /nfs/dbraw/zinc/03/61/43/766036143.db2.gz QKAYPUCTKFZJQJ-YTQUADARSA-N 2 1 363.571 3.115 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3csc(C)c3)C2)CC[NH+]1C ZINC001023381590 766036150 /nfs/dbraw/zinc/03/61/50/766036150.db2.gz QKAYPUCTKFZJQJ-YTQUADARSA-N 2 1 363.571 3.115 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC001033834387 766223615 /nfs/dbraw/zinc/22/36/15/766223615.db2.gz QDEMLRBLMGNIJD-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC001033834387 766223620 /nfs/dbraw/zinc/22/36/20/766223620.db2.gz QDEMLRBLMGNIJD-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2cccc(Cl)c2)C1 ZINC001033834387 766223625 /nfs/dbraw/zinc/22/36/25/766223625.db2.gz QDEMLRBLMGNIJD-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1cc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219028 766234606 /nfs/dbraw/zinc/23/46/06/766234606.db2.gz JPRWPIKGWGAVQK-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219028 766234608 /nfs/dbraw/zinc/23/46/08/766234608.db2.gz JPRWPIKGWGAVQK-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001034219028 766234611 /nfs/dbraw/zinc/23/46/11/766234611.db2.gz JPRWPIKGWGAVQK-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[NH+](C/C=C/Cl)C3)CC2)CC[N@H+]1C ZINC001039133478 766292480 /nfs/dbraw/zinc/29/24/80/766292480.db2.gz SZBCUKCRMWYARK-CPOQYGTRSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[N@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC001039133478 766292486 /nfs/dbraw/zinc/29/24/86/766292486.db2.gz SZBCUKCRMWYARK-CPOQYGTRSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H]3CC[N@@H+](C/C=C/Cl)C3)CC2)CC[NH+]1C ZINC001039133478 766292491 /nfs/dbraw/zinc/29/24/91/766292491.db2.gz SZBCUKCRMWYARK-CPOQYGTRSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001045444973 766537743 /nfs/dbraw/zinc/53/77/43/766537743.db2.gz MYIYZYRWEBQISW-CRAIPNDOSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000248760205 257369712 /nfs/dbraw/zinc/36/97/12/257369712.db2.gz DJRUDMLDWULRNM-ZNLUXHQJSA-N 2 1 351.494 3.030 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)Cc3ccccc3C)CC2)CC1 ZINC000570864535 505598558 /nfs/dbraw/zinc/59/85/58/505598558.db2.gz VMNUZLSUAVRARF-IBGZPJMESA-N 2 1 371.569 3.239 20 0 FGADMP C[C@H](CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[S@@](C)=O ZINC000568076885 505610685 /nfs/dbraw/zinc/61/06/85/505610685.db2.gz DGXGQLRDOBUUNE-PKPXASJOSA-N 2 1 362.583 3.424 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000573843485 505633832 /nfs/dbraw/zinc/63/38/32/505633832.db2.gz PRDFZQCDVUPYQQ-DOIPELPJSA-N 2 1 355.526 3.017 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c2ccccc12 ZINC000577098318 505663732 /nfs/dbraw/zinc/66/37/32/505663732.db2.gz VWAAVTZEBILILC-CQSZACIVSA-N 2 1 365.481 3.284 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(I)c1 ZINC000580056101 505670973 /nfs/dbraw/zinc/67/09/73/505670973.db2.gz SGRDYWJGPZFASA-GFCCVEGCSA-N 2 1 369.250 3.222 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000047978709 493769620 /nfs/dbraw/zinc/76/96/20/493769620.db2.gz PMPPAUCIAALOOL-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1)C(C)C ZINC000571214278 505680822 /nfs/dbraw/zinc/68/08/22/505680822.db2.gz YAEHABNIJNOPOY-LJQANCHMSA-N 2 1 366.509 3.380 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccsc1 ZINC000076057490 493814957 /nfs/dbraw/zinc/81/49/57/493814957.db2.gz ONDGEVPCSGPAQY-GOSISDBHSA-N 2 1 366.575 3.257 20 0 FGADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109828 493823697 /nfs/dbraw/zinc/82/36/97/493823697.db2.gz MVRQOGKMISZCTP-LJQANCHMSA-N 2 1 361.489 3.482 20 0 FGADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109828 493823701 /nfs/dbraw/zinc/82/37/01/493823701.db2.gz MVRQOGKMISZCTP-LJQANCHMSA-N 2 1 361.489 3.482 20 0 FGADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109828 493823703 /nfs/dbraw/zinc/82/37/03/493823703.db2.gz MVRQOGKMISZCTP-LJQANCHMSA-N 2 1 361.489 3.482 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095931 493831060 /nfs/dbraw/zinc/83/10/60/493831060.db2.gz OSIHHLKGPFCWEK-UYAOXDASSA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095931 493831063 /nfs/dbraw/zinc/83/10/63/493831063.db2.gz OSIHHLKGPFCWEK-UYAOXDASSA-N 2 1 370.545 3.173 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)[C@H](C)C1 ZINC000081095931 493831070 /nfs/dbraw/zinc/83/10/70/493831070.db2.gz OSIHHLKGPFCWEK-UYAOXDASSA-N 2 1 370.545 3.173 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028926 493893626 /nfs/dbraw/zinc/89/36/26/493893626.db2.gz AOUQWEDFNWNRCP-AZUAARDMSA-N 2 1 371.550 3.379 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000030634613 493902062 /nfs/dbraw/zinc/90/20/62/493902062.db2.gz WNASQBUBMDBHOV-UHFFFAOYSA-N 2 1 365.521 3.317 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000060798176 493955148 /nfs/dbraw/zinc/95/51/48/493955148.db2.gz PFLSFTAOAUHVRG-FPOVZHCZSA-N 2 1 372.557 3.306 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C(C)C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000061166270 493968542 /nfs/dbraw/zinc/96/85/42/493968542.db2.gz XOIYBZUUQGXKNZ-OAQYLSRUSA-N 2 1 373.541 3.211 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000069733858 494004459 /nfs/dbraw/zinc/00/44/59/494004459.db2.gz ZDNITEFEZZUMKO-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000052289491 494017252 /nfs/dbraw/zinc/01/72/52/494017252.db2.gz TWNNOCSTPSRGIK-QGZVFWFLSA-N 2 1 369.513 3.065 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000052289491 494017255 /nfs/dbraw/zinc/01/72/55/494017255.db2.gz TWNNOCSTPSRGIK-QGZVFWFLSA-N 2 1 369.513 3.065 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CCC[NH+](C)C3)cc2)C1 ZINC000052524371 494035670 /nfs/dbraw/zinc/03/56/70/494035670.db2.gz TYXJHKXKVKUNED-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)C1 ZINC000052524371 494035672 /nfs/dbraw/zinc/03/56/72/494035672.db2.gz TYXJHKXKVKUNED-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CCC[N@@H+](C)C3)cc2)C1 ZINC000052524371 494035677 /nfs/dbraw/zinc/03/56/77/494035677.db2.gz TYXJHKXKVKUNED-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085388347 494119827 /nfs/dbraw/zinc/11/98/27/494119827.db2.gz XXZUXGYRIKVWFV-FXAWDEMLSA-N 2 1 360.546 3.010 20 0 FGADMP Cc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)cc1C ZINC000064517606 494129738 /nfs/dbraw/zinc/12/97/38/494129738.db2.gz ITCIWVOPNBIZHV-NRFANRHFSA-N 2 1 355.526 3.183 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000086284564 494148003 /nfs/dbraw/zinc/14/80/03/494148003.db2.gz BURLAVNDDHRDLF-SJLPKXTDSA-N 2 1 369.513 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000086284564 494148005 /nfs/dbraw/zinc/14/80/05/494148005.db2.gz BURLAVNDDHRDLF-SJLPKXTDSA-N 2 1 369.513 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000086364920 494150568 /nfs/dbraw/zinc/15/05/68/494150568.db2.gz CIRXHBDXBJZFKY-IRXDYDNUSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000086364920 494150572 /nfs/dbraw/zinc/15/05/72/494150572.db2.gz CIRXHBDXBJZFKY-IRXDYDNUSA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086393545 494151591 /nfs/dbraw/zinc/15/15/91/494151591.db2.gz VIVMEYMZOLFXJZ-FUHWJXTLSA-N 2 1 369.513 3.273 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000086393545 494151592 /nfs/dbraw/zinc/15/15/92/494151592.db2.gz VIVMEYMZOLFXJZ-FUHWJXTLSA-N 2 1 369.513 3.273 20 0 FGADMP CC(C)[C@](C)(Cc1ccc(Cl)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000568488391 505707630 /nfs/dbraw/zinc/70/76/30/505707630.db2.gz JLCBLTVZQZVVTB-FQEVSTJZSA-N 2 1 365.949 3.051 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000088702304 494256869 /nfs/dbraw/zinc/25/68/69/494256869.db2.gz UIVIXOBOBOOONA-IBGZPJMESA-N 3 1 369.557 3.149 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073012994 494305783 /nfs/dbraw/zinc/30/57/83/494305783.db2.gz YRILAERJAXJRAA-WMLDXEAASA-N 2 1 371.447 3.156 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512031 505712882 /nfs/dbraw/zinc/71/28/82/505712882.db2.gz GQEZXLCFSPIYHY-MJFSBKNWSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512031 505712883 /nfs/dbraw/zinc/71/28/83/505712883.db2.gz GQEZXLCFSPIYHY-MJFSBKNWSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512029 505713000 /nfs/dbraw/zinc/71/30/00/505713000.db2.gz GQEZXLCFSPIYHY-DPYKFYPSSA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512029 505713003 /nfs/dbraw/zinc/71/30/03/505713003.db2.gz GQEZXLCFSPIYHY-DPYKFYPSSA-N 2 1 370.324 3.230 20 0 FGADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)CSc2ccccc2OC)CC1 ZINC000089515548 494320035 /nfs/dbraw/zinc/32/00/35/494320035.db2.gz RISPSYXDDWYICV-MRXNPFEDSA-N 2 1 352.544 3.124 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212432 494338647 /nfs/dbraw/zinc/33/86/47/494338647.db2.gz RXSHYKMSGHJNMP-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212432 494338650 /nfs/dbraw/zinc/33/86/50/494338650.db2.gz RXSHYKMSGHJNMP-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000073212432 494338653 /nfs/dbraw/zinc/33/86/53/494338653.db2.gz RXSHYKMSGHJNMP-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000078714974 494347917 /nfs/dbraw/zinc/34/79/17/494347917.db2.gz VPMRFZXLCCSDAP-MRXNPFEDSA-N 2 1 357.498 3.345 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)ccc3C)CC2)CC1 ZINC000066568131 494357630 /nfs/dbraw/zinc/35/76/30/494357630.db2.gz CGVXDUZJCDUOTI-UHFFFAOYSA-N 2 1 357.542 3.070 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000078804625 494364435 /nfs/dbraw/zinc/36/44/35/494364435.db2.gz SUJIXHGUPLERCI-RBBKRZOGSA-N 2 1 360.542 3.246 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000073666514 494409555 /nfs/dbraw/zinc/40/95/55/494409555.db2.gz ZYSHLCVPDLNINK-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2cccs2)CC1 ZINC000066960905 494446183 /nfs/dbraw/zinc/44/61/83/494446183.db2.gz RPLGFFCOGYWYOO-KRWDZBQOSA-N 2 1 365.587 3.239 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000073917682 494448434 /nfs/dbraw/zinc/44/84/34/494448434.db2.gz COVMFPIBEMPZBU-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402815 505720317 /nfs/dbraw/zinc/72/03/17/505720317.db2.gz PGSHNDXKTOLDPY-SIKLNZKXSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402815 505720321 /nfs/dbraw/zinc/72/03/21/505720321.db2.gz PGSHNDXKTOLDPY-SIKLNZKXSA-N 2 1 365.521 3.368 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079612998 494493389 /nfs/dbraw/zinc/49/33/89/494493389.db2.gz QWGXQMCMBDAAJY-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000074265201 494507014 /nfs/dbraw/zinc/50/70/14/494507014.db2.gz UINAKJNJJNZVTJ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000074265201 494507019 /nfs/dbraw/zinc/50/70/19/494507019.db2.gz UINAKJNJJNZVTJ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000074265201 494507022 /nfs/dbraw/zinc/50/70/22/494507022.db2.gz UINAKJNJJNZVTJ-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000074319861 494518382 /nfs/dbraw/zinc/51/83/82/494518382.db2.gz KVXBAMZAQBUNIK-INIZCTEOSA-N 2 1 356.514 3.428 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000074319861 494518384 /nfs/dbraw/zinc/51/83/84/494518384.db2.gz KVXBAMZAQBUNIK-INIZCTEOSA-N 2 1 356.514 3.428 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945207 494553691 /nfs/dbraw/zinc/55/36/91/494553691.db2.gz SNBDIYPDDBKEGH-WIYYLYMNSA-N 2 1 357.542 3.276 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333555 494583853 /nfs/dbraw/zinc/58/38/53/494583853.db2.gz FQHGIUBUGQGDIK-ICSRJNTNSA-N 2 1 361.505 3.234 20 0 FGADMP Cc1ccc(C)c([C@H](C)[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000131375909 494599743 /nfs/dbraw/zinc/59/97/43/494599743.db2.gz DEGOHAJDBIMFLV-SFHVURJKSA-N 2 1 353.514 3.038 20 0 FGADMP Cc1ccc(C)c([C@H](C)[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000131375909 494599746 /nfs/dbraw/zinc/59/97/46/494599746.db2.gz DEGOHAJDBIMFLV-SFHVURJKSA-N 2 1 353.514 3.038 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080118257 494602846 /nfs/dbraw/zinc/60/28/46/494602846.db2.gz CTSOUIGJWGURKP-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118257 494602850 /nfs/dbraw/zinc/60/28/50/494602850.db2.gz CTSOUIGJWGURKP-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000080118257 494602853 /nfs/dbraw/zinc/60/28/53/494602853.db2.gz CTSOUIGJWGURKP-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000568593901 505731145 /nfs/dbraw/zinc/73/11/45/505731145.db2.gz KUCOIIOIXFHMIW-YPAWHYETSA-N 2 1 363.505 3.318 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000568593901 505731150 /nfs/dbraw/zinc/73/11/50/505731150.db2.gz KUCOIIOIXFHMIW-YPAWHYETSA-N 2 1 363.505 3.318 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000080375771 494689517 /nfs/dbraw/zinc/68/95/17/494689517.db2.gz BDSLQGOWTBHWHZ-DLBZAZTESA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000080375771 494689528 /nfs/dbraw/zinc/68/95/28/494689528.db2.gz BDSLQGOWTBHWHZ-DLBZAZTESA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000080375774 494689631 /nfs/dbraw/zinc/68/96/31/494689631.db2.gz BDSLQGOWTBHWHZ-IRXDYDNUSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000080375774 494689639 /nfs/dbraw/zinc/68/96/39/494689639.db2.gz BDSLQGOWTBHWHZ-IRXDYDNUSA-N 2 1 369.513 3.415 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000126305951 494704772 /nfs/dbraw/zinc/70/47/72/494704772.db2.gz IZRBHHUVADQCQD-OALUTQOASA-N 2 1 364.578 3.299 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000126305951 494704781 /nfs/dbraw/zinc/70/47/81/494704781.db2.gz IZRBHHUVADQCQD-OALUTQOASA-N 2 1 364.578 3.299 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000126305951 494704784 /nfs/dbraw/zinc/70/47/84/494704784.db2.gz IZRBHHUVADQCQD-OALUTQOASA-N 2 1 364.578 3.299 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000126363981 494724363 /nfs/dbraw/zinc/72/43/63/494724363.db2.gz SISZVJTYMUAMAW-UHFFFAOYSA-N 2 1 353.470 3.119 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1nc2ccccc2c(=O)[nH]1)C(C)C ZINC000126363981 494724368 /nfs/dbraw/zinc/72/43/68/494724368.db2.gz SISZVJTYMUAMAW-UHFFFAOYSA-N 2 1 353.470 3.119 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000080639943 494752360 /nfs/dbraw/zinc/75/23/60/494752360.db2.gz WSLXOGBFEJCZBT-FQEVSTJZSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000080639943 494752365 /nfs/dbraw/zinc/75/23/65/494752365.db2.gz WSLXOGBFEJCZBT-FQEVSTJZSA-N 2 1 361.505 3.027 20 0 FGADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821458 494763827 /nfs/dbraw/zinc/76/38/27/494763827.db2.gz QNWRXXFIHCVTER-MSOLQXFVSA-N 2 1 360.546 3.313 20 0 FGADMP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821108 494763997 /nfs/dbraw/zinc/76/39/97/494763997.db2.gz XXVCVDUQTPJZFF-LJQANCHMSA-N 2 1 372.557 3.267 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CCCCC[C@H]3c3ccccc3)cn2)CC1 ZINC000092127172 494797072 /nfs/dbraw/zinc/79/70/72/494797072.db2.gz UUARGGXOZWVZPA-NRFANRHFSA-N 2 1 365.525 3.346 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CCCCC[C@H]3c3ccccc3)cn2)CC1 ZINC000092127172 494797078 /nfs/dbraw/zinc/79/70/78/494797078.db2.gz UUARGGXOZWVZPA-NRFANRHFSA-N 2 1 365.525 3.346 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662461 494814641 /nfs/dbraw/zinc/81/46/41/494814641.db2.gz CHFYNXZIYVXUTQ-ICSRJNTNSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CCCO2 ZINC000126662461 494814647 /nfs/dbraw/zinc/81/46/47/494814647.db2.gz CHFYNXZIYVXUTQ-ICSRJNTNSA-N 2 1 373.541 3.201 20 0 FGADMP O[C@H](CNCc1cccc(-c2ccccn2)c1)C[N@@H+]1CCc2ccccc2C1 ZINC000126689714 494820074 /nfs/dbraw/zinc/82/00/74/494820074.db2.gz QTLABJJTFZJEKT-HSZRJFAPSA-N 2 1 373.500 3.257 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000093141719 494834134 /nfs/dbraw/zinc/83/41/34/494834134.db2.gz LYDDRDIYEVRDDL-FGZHOGPDSA-N 2 1 369.553 3.056 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000109122660 494834714 /nfs/dbraw/zinc/83/47/14/494834714.db2.gz XIJSQOISOOJIJO-FPOVZHCZSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000109122660 494834721 /nfs/dbraw/zinc/83/47/21/494834721.db2.gz XIJSQOISOOJIJO-FPOVZHCZSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000109122660 494834725 /nfs/dbraw/zinc/83/47/25/494834725.db2.gz XIJSQOISOOJIJO-FPOVZHCZSA-N 2 1 357.542 3.422 20 0 FGADMP Cc1cnccc1NC(=O)N[C@H](C)c1cc(F)ccc1N1CCN(C)CC1 ZINC000121999704 494906570 /nfs/dbraw/zinc/90/65/70/494906570.db2.gz LIXYJWGYIQFBLB-OAHLLOKOSA-N 2 1 371.460 3.164 20 0 FGADMP Cc1ccc(SCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000109753729 494914202 /nfs/dbraw/zinc/91/42/02/494914202.db2.gz UGLOJJPKAXGELA-FQEVSTJZSA-N 2 1 361.599 3.497 20 0 FGADMP Cc1ccc(SCC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000109753729 494914204 /nfs/dbraw/zinc/91/42/04/494914204.db2.gz UGLOJJPKAXGELA-FQEVSTJZSA-N 2 1 361.599 3.497 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000093769391 494919092 /nfs/dbraw/zinc/91/90/92/494919092.db2.gz PPMRAECXYOFDOH-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP COc1ccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1O ZINC000093844304 494927237 /nfs/dbraw/zinc/92/72/37/494927237.db2.gz ANDDLMNJRWJSFQ-CALCHBBNSA-N 2 1 362.514 3.112 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[N@H+]1C1CC1 ZINC000127460426 494947954 /nfs/dbraw/zinc/94/79/54/494947954.db2.gz DDURJXHYUMWRIL-PXNSSMCTSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@H]1C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[C@@H]1C ZINC000122845273 495040144 /nfs/dbraw/zinc/04/01/44/495040144.db2.gz JNRZNKJDOGMDRH-IRXDYDNUSA-N 2 1 361.555 3.152 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(Br)c1 ZINC000098144349 495061387 /nfs/dbraw/zinc/06/13/87/495061387.db2.gz ZLWCPCNMKOBCDV-RHSMWYFYSA-N 2 1 355.320 3.193 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000123157168 495089098 /nfs/dbraw/zinc/08/90/98/495089098.db2.gz BUHLRMRRYODHNA-UHFFFAOYSA-N 2 1 369.456 3.280 20 0 FGADMP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128431499 495095503 /nfs/dbraw/zinc/09/55/03/495095503.db2.gz AZFCBVJKKDVQKU-QGZVFWFLSA-N 2 1 369.500 3.226 20 0 FGADMP COc1cc(-c2noc(C[NH+]3CCC(CC[NH+](C)C)CC3)n2)ccc1C ZINC000128447752 495098679 /nfs/dbraw/zinc/09/86/79/495098679.db2.gz ILPIPMBPZMIUQT-UHFFFAOYSA-N 2 1 358.486 3.217 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH+]3CCCC3)CC2)C1 ZINC000111881284 495124851 /nfs/dbraw/zinc/12/48/51/495124851.db2.gz DRFHHOLRJYYIOT-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(-c2ccncc2)c1 ZINC000128702469 495137881 /nfs/dbraw/zinc/13/78/81/495137881.db2.gz QAQZIIZYKZSVJW-LJQANCHMSA-N 2 1 352.526 3.427 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320470 506411163 /nfs/dbraw/zinc/41/11/63/506411163.db2.gz ZPKGWXQMDBTIPS-CRAIPNDOSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2Cl)C1 ZINC000568740504 505766660 /nfs/dbraw/zinc/76/66/60/505766660.db2.gz FZFWMLUYWAOFAS-KSZLIROESA-N 2 1 368.949 3.427 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320470 506411169 /nfs/dbraw/zinc/41/11/69/506411169.db2.gz ZPKGWXQMDBTIPS-CRAIPNDOSA-N 2 1 351.922 3.179 20 0 FGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154617 495204055 /nfs/dbraw/zinc/20/40/55/495204055.db2.gz XYXZKSNSRJYEPD-QGZVFWFLSA-N 2 1 353.514 3.015 20 0 FGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154617 495204058 /nfs/dbraw/zinc/20/40/58/495204058.db2.gz XYXZKSNSRJYEPD-QGZVFWFLSA-N 2 1 353.514 3.015 20 0 FGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(c2ncnc3ccccc32)CC1 ZINC000129154617 495204063 /nfs/dbraw/zinc/20/40/63/495204063.db2.gz XYXZKSNSRJYEPD-QGZVFWFLSA-N 2 1 353.514 3.015 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129457865 495248341 /nfs/dbraw/zinc/24/83/41/495248341.db2.gz UEIVISDIPPNGHN-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000119945507 495274622 /nfs/dbraw/zinc/27/46/22/495274622.db2.gz SGILJVGOCWPFJL-KRWDZBQOSA-N 2 1 360.523 3.263 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000119945507 495274625 /nfs/dbraw/zinc/27/46/25/495274625.db2.gz SGILJVGOCWPFJL-KRWDZBQOSA-N 2 1 360.523 3.263 20 0 FGADMP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124361144 495275919 /nfs/dbraw/zinc/27/59/19/495275919.db2.gz RRYZZCCYQKPHEB-OAHLLOKOSA-N 2 1 352.592 3.499 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccccc3)[C@@H](C)C2)CC1 ZINC000129740419 495288677 /nfs/dbraw/zinc/28/86/77/495288677.db2.gz GRKFBJQSNYRZPH-RXVVDRJESA-N 2 1 357.542 3.101 20 0 FGADMP C[C@H](Cc1ccccc1)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000577681819 505774128 /nfs/dbraw/zinc/77/41/28/505774128.db2.gz CREFKOSKOWGYAQ-HKBOAZHASA-N 2 1 374.569 3.455 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000113515826 495309123 /nfs/dbraw/zinc/30/91/23/495309123.db2.gz SPRWIBWPMJQWEC-ROUUACIJSA-N 2 1 351.494 3.039 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000113578686 495316649 /nfs/dbraw/zinc/31/66/49/495316649.db2.gz DEWUDSXLICKXMV-WMZOPIPTSA-N 2 1 372.513 3.311 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000113578694 495317093 /nfs/dbraw/zinc/31/70/93/495317093.db2.gz DEWUDSXLICKXMV-SJLPKXTDSA-N 2 1 372.513 3.311 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105113122 495337975 /nfs/dbraw/zinc/33/79/75/495337975.db2.gz DNIYKRPKMGYYGT-GOSISDBHSA-N 2 1 370.541 3.051 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C2CC2)CC1 ZINC000105113122 495337977 /nfs/dbraw/zinc/33/79/77/495337977.db2.gz DNIYKRPKMGYYGT-GOSISDBHSA-N 2 1 370.541 3.051 20 0 FGADMP CCCC[C@H]1CCC[C@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241434 495347707 /nfs/dbraw/zinc/34/77/07/495347707.db2.gz KGKVWDRVACTCOT-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP C[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCCC1 ZINC000105294881 495353686 /nfs/dbraw/zinc/35/36/86/495353686.db2.gz RFDLZWPYVXFIQI-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000124939969 495367884 /nfs/dbraw/zinc/36/78/84/495367884.db2.gz QICCZRLGASRNGR-PMACEKPBSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C1 ZINC000124939969 495367888 /nfs/dbraw/zinc/36/78/88/495367888.db2.gz QICCZRLGASRNGR-PMACEKPBSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000124939969 495367892 /nfs/dbraw/zinc/36/78/92/495367892.db2.gz QICCZRLGASRNGR-PMACEKPBSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000136860329 495406252 /nfs/dbraw/zinc/40/62/52/495406252.db2.gz KDNIHESSEFAQLM-IBGZPJMESA-N 2 1 364.578 3.301 20 0 FGADMP CC[C@@H](C)[N@H+](CCCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218512 495408134 /nfs/dbraw/zinc/40/81/34/495408134.db2.gz CCCNZXZGKAEZML-OAHLLOKOSA-N 2 1 353.470 3.119 20 0 FGADMP CC[C@@H](C)[N@@H+](CCCn1cc[nH+]c1C)Cc1nc2ccccc2c(=O)[nH]1 ZINC000125218512 495408136 /nfs/dbraw/zinc/40/81/36/495408136.db2.gz CCCNZXZGKAEZML-OAHLLOKOSA-N 2 1 353.470 3.119 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000137192929 495429690 /nfs/dbraw/zinc/42/96/90/495429690.db2.gz NWTUGSFPUCADRH-GOSISDBHSA-N 2 1 352.482 3.383 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000137641698 495447626 /nfs/dbraw/zinc/44/76/26/495447626.db2.gz JJGKTJNBUCTZCG-ZIAGYGMSSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000137641698 495447630 /nfs/dbraw/zinc/44/76/30/495447630.db2.gz JJGKTJNBUCTZCG-ZIAGYGMSSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641698 495447631 /nfs/dbraw/zinc/44/76/31/495447631.db2.gz JJGKTJNBUCTZCG-ZIAGYGMSSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641698 495447634 /nfs/dbraw/zinc/44/76/34/495447634.db2.gz JJGKTJNBUCTZCG-ZIAGYGMSSA-N 2 1 357.420 3.449 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000125818715 495503064 /nfs/dbraw/zinc/50/30/64/495503064.db2.gz PDRMLQNCGVYKHP-JKSUJKDBSA-N 2 1 350.503 3.483 20 0 FGADMP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000115616669 495521268 /nfs/dbraw/zinc/52/12/68/495521268.db2.gz FRXPPVSFNHLNHD-MRXNPFEDSA-N 2 1 373.472 3.071 20 0 FGADMP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000115616669 495521270 /nfs/dbraw/zinc/52/12/70/495521270.db2.gz FRXPPVSFNHLNHD-MRXNPFEDSA-N 2 1 373.472 3.071 20 0 FGADMP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000107074349 495521830 /nfs/dbraw/zinc/52/18/30/495521830.db2.gz MRAVVBCXKPLGIQ-IBGZPJMESA-N 2 1 371.525 3.238 20 0 FGADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000148518672 495584977 /nfs/dbraw/zinc/58/49/77/495584977.db2.gz HXZWZRULYHDNTP-MOPGFXCFSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000154415010 495609062 /nfs/dbraw/zinc/60/90/62/495609062.db2.gz UEKBDGTYJGJVIM-QGZVFWFLSA-N 2 1 366.303 3.400 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000154415010 495609065 /nfs/dbraw/zinc/60/90/65/495609065.db2.gz UEKBDGTYJGJVIM-QGZVFWFLSA-N 2 1 366.303 3.400 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000182709506 495672765 /nfs/dbraw/zinc/67/27/65/495672765.db2.gz IFVPFCABORCSOT-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1)C(C)C ZINC000159204186 495682898 /nfs/dbraw/zinc/68/28/98/495682898.db2.gz IIXZMYDUZIODTA-UHFFFAOYSA-N 2 1 366.509 3.274 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695576 495683484 /nfs/dbraw/zinc/68/34/84/495683484.db2.gz NXLKRYISZOGNIS-MSOLQXFVSA-N 2 1 373.541 3.322 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695576 495683491 /nfs/dbraw/zinc/68/34/91/495683491.db2.gz NXLKRYISZOGNIS-MSOLQXFVSA-N 2 1 373.541 3.322 20 0 FGADMP C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753145 495711432 /nfs/dbraw/zinc/71/14/32/495711432.db2.gz VSOHFFBQGVUGLJ-IAGOWNOFSA-N 2 1 373.545 3.179 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753145 495711435 /nfs/dbraw/zinc/71/14/35/495711435.db2.gz VSOHFFBQGVUGLJ-IAGOWNOFSA-N 2 1 373.545 3.179 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753145 495711441 /nfs/dbraw/zinc/71/14/41/495711441.db2.gz VSOHFFBQGVUGLJ-IAGOWNOFSA-N 2 1 373.545 3.179 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182874786 495737885 /nfs/dbraw/zinc/73/78/85/495737885.db2.gz GPGGGJMGDATCJS-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182953364 495773416 /nfs/dbraw/zinc/77/34/16/495773416.db2.gz AJASCEUHHWVXAI-HNNXBMFYSA-N 2 1 354.336 3.079 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(C)cc2)cc1 ZINC000183140095 495851895 /nfs/dbraw/zinc/85/18/95/495851895.db2.gz ZGLBTPBOMKLXEK-KRWDZBQOSA-N 2 1 362.477 3.456 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000186102582 495856536 /nfs/dbraw/zinc/85/65/36/495856536.db2.gz LUNSWFVTOVTIAX-QZTJIDSGSA-N 2 1 361.534 3.057 20 0 FGADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000155160738 495857620 /nfs/dbraw/zinc/85/76/20/495857620.db2.gz RHRAJGLDHHHEMS-SFHVURJKSA-N 2 1 364.534 3.036 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)cc1 ZINC000183157240 495859837 /nfs/dbraw/zinc/85/98/37/495859837.db2.gz RWIBRDUAVRRFAX-HNNXBMFYSA-N 2 1 366.440 3.287 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCN(Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316165 495906687 /nfs/dbraw/zinc/90/66/87/495906687.db2.gz OCIUQOPRYIFGRP-BGYRXZFFSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316165 495906693 /nfs/dbraw/zinc/90/66/93/495906693.db2.gz OCIUQOPRYIFGRP-BGYRXZFFSA-N 3 1 359.558 3.130 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000174316165 495906700 /nfs/dbraw/zinc/90/67/00/495906700.db2.gz OCIUQOPRYIFGRP-BGYRXZFFSA-N 3 1 359.558 3.130 20 0 FGADMP CC[C@@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000151702726 495923876 /nfs/dbraw/zinc/92/38/76/495923876.db2.gz GIRSWIHFOGTNOJ-IBGZPJMESA-N 2 1 363.933 3.409 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCCC[C@@H]([NH+]4CCCC4)C3)CC2)[nH+]c1 ZINC000171583083 495935683 /nfs/dbraw/zinc/93/56/83/495935683.db2.gz DVEJTCJQVMGAMZ-HXUWFJFHSA-N 2 1 370.541 3.083 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000174545342 496002006 /nfs/dbraw/zinc/00/20/06/496002006.db2.gz WCACCWLEMQDKDX-SFHVURJKSA-N 2 1 356.539 3.022 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611692 496012276 /nfs/dbraw/zinc/01/22/76/496012276.db2.gz NRIYFJHUSYFXOT-IFXJQAMLSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611692 496012281 /nfs/dbraw/zinc/01/22/81/496012281.db2.gz NRIYFJHUSYFXOT-IFXJQAMLSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000155611692 496012288 /nfs/dbraw/zinc/01/22/88/496012288.db2.gz NRIYFJHUSYFXOT-IFXJQAMLSA-N 2 1 367.896 3.072 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000152066742 496037767 /nfs/dbraw/zinc/03/77/67/496037767.db2.gz SSIVMHYVRKDRGN-UHFFFAOYSA-N 2 1 356.441 3.351 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(C2CC2)C2CC2)cc1 ZINC000183683481 496078276 /nfs/dbraw/zinc/07/82/76/496078276.db2.gz WWBVGOYRTSRIPW-CQSZACIVSA-N 2 1 352.482 3.136 20 0 FGADMP C[N@@H+](CCCOc1ccc2ccccc2c1)CCCN1CC[NH+](C)CC1 ZINC000174727135 496079028 /nfs/dbraw/zinc/07/90/28/496079028.db2.gz SYTWUZOWXKATFF-UHFFFAOYSA-N 2 1 355.526 3.178 20 0 FGADMP COc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600809 496128386 /nfs/dbraw/zinc/12/83/86/496128386.db2.gz NXBBCKOVGDMMPZ-WIYYLYMNSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@@H+]1C ZINC000156063160 496148158 /nfs/dbraw/zinc/14/81/58/496148158.db2.gz QGOOKKIAFTXBNH-CZUORRHYSA-N 2 1 356.436 3.142 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC[N@H+]1C ZINC000156063160 496148160 /nfs/dbraw/zinc/14/81/60/496148160.db2.gz QGOOKKIAFTXBNH-CZUORRHYSA-N 2 1 356.436 3.142 20 0 FGADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000177655893 496148522 /nfs/dbraw/zinc/14/85/22/496148522.db2.gz DCSIRPUEZQWTRA-NRFANRHFSA-N 2 1 369.553 3.206 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152459160 496159315 /nfs/dbraw/zinc/15/93/15/496159315.db2.gz ICJUMWWAKYGFRW-DLBZAZTESA-N 2 1 354.498 3.075 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000152563080 496190083 /nfs/dbraw/zinc/19/00/83/496190083.db2.gz HIKHTSWOWMNXTQ-YWZLYKJASA-N 2 1 369.440 3.410 20 0 FGADMP C[C@H](c1cccc(Br)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180931849 496204946 /nfs/dbraw/zinc/20/49/46/496204946.db2.gz XVFMVMVBTKELHM-OAHLLOKOSA-N 2 1 368.363 3.468 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156469852 496253278 /nfs/dbraw/zinc/25/32/78/496253278.db2.gz GVYWGDUFYTVRHB-UXHICEINSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)CC2)[nH+]c1 ZINC000172495998 496317190 /nfs/dbraw/zinc/31/71/90/496317190.db2.gz PRDLZVWANACUNE-FQEVSTJZSA-N 2 1 370.541 3.083 20 0 FGADMP CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[NH+](C)C ZINC000156819978 496340233 /nfs/dbraw/zinc/34/02/33/496340233.db2.gz GIMYWCRQRCSHSW-QGZVFWFLSA-N 2 1 371.447 3.126 20 0 FGADMP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000578004915 505839310 /nfs/dbraw/zinc/83/93/10/505839310.db2.gz MTRWXNZPTHYKQL-FYYLOGMGSA-N 2 1 374.488 3.277 20 0 FGADMP COC[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162754104 496406606 /nfs/dbraw/zinc/40/66/06/496406606.db2.gz IAGCEQBHJUCHIF-OAQYLSRUSA-N 2 1 371.525 3.351 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000184508836 496417469 /nfs/dbraw/zinc/41/74/69/496417469.db2.gz JUSYTSMOPFCOCC-KSZLIROESA-N 2 1 358.530 3.028 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000162870446 496425293 /nfs/dbraw/zinc/42/52/93/496425293.db2.gz JBDDSZQYCCAKJH-BBWFWOEESA-N 2 1 351.510 3.432 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000187400993 496425651 /nfs/dbraw/zinc/42/56/51/496425651.db2.gz RUXZKJGRMHPSEM-OAQYLSRUSA-N 2 1 366.509 3.070 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000184556799 496439015 /nfs/dbraw/zinc/43/90/15/496439015.db2.gz ZTWKWGPDMBPQMV-OAQYLSRUSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@]1(CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025974 505844686 /nfs/dbraw/zinc/84/46/86/505844686.db2.gz LKDTTZQBBMVUPU-PMACEKPBSA-N 2 1 366.933 3.034 20 0 FGADMP C[C@@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000175592332 496454627 /nfs/dbraw/zinc/45/46/27/496454627.db2.gz YPYCDJONSQXDTE-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000175592332 496454634 /nfs/dbraw/zinc/45/46/34/496454634.db2.gz YPYCDJONSQXDTE-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H](CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000175592332 496454639 /nfs/dbraw/zinc/45/46/39/496454639.db2.gz YPYCDJONSQXDTE-XSLAUPDRSA-N 2 1 372.557 3.212 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000187481053 496460003 /nfs/dbraw/zinc/46/00/03/496460003.db2.gz ITRYATCGAQXHOH-OAQYLSRUSA-N 2 1 374.573 3.315 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000157499508 496490396 /nfs/dbraw/zinc/49/03/96/496490396.db2.gz COLFHHFXAXQJEO-QGZVFWFLSA-N 2 1 371.529 3.169 20 0 FGADMP C[C@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000178662433 496532714 /nfs/dbraw/zinc/53/27/14/496532714.db2.gz HMRUGEXOFPAZBH-RKVPGOIHSA-N 2 1 351.922 3.085 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@H](C)C1 ZINC000178688883 496541479 /nfs/dbraw/zinc/54/14/79/496541479.db2.gz YNLMKFFXGKSTJT-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000580841512 505850463 /nfs/dbraw/zinc/85/04/63/505850463.db2.gz RQJFPYIEQUROEB-OXFYSEKESA-N 2 1 357.523 3.155 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178699125 496545036 /nfs/dbraw/zinc/54/50/36/496545036.db2.gz GRHSQOAMIJNGDF-DLBZAZTESA-N 2 1 367.497 3.491 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000157825431 496564375 /nfs/dbraw/zinc/56/43/75/496564375.db2.gz AWTGYYNCSARVBG-LJQANCHMSA-N 2 1 374.573 3.304 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000157825431 496564379 /nfs/dbraw/zinc/56/43/79/496564379.db2.gz AWTGYYNCSARVBG-LJQANCHMSA-N 2 1 374.573 3.304 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000157825431 496564382 /nfs/dbraw/zinc/56/43/82/496564382.db2.gz AWTGYYNCSARVBG-LJQANCHMSA-N 2 1 374.573 3.304 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000173137628 496564713 /nfs/dbraw/zinc/56/47/13/496564713.db2.gz LQVAMUGMRAEQTK-XLIONFOSSA-N 2 1 374.529 3.028 20 0 FGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@@H]3C)c[nH]c21 ZINC000164437775 496612035 /nfs/dbraw/zinc/61/20/35/496612035.db2.gz VCGNSILVAFIDIT-HFSMHLIXSA-N 2 1 355.526 3.498 20 0 FGADMP CC[C@](C)([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1nc(C)cs1 ZINC000184987575 496612815 /nfs/dbraw/zinc/61/28/15/496612815.db2.gz UHEDSKITQQVOSI-PXNSSMCTSA-N 2 1 374.554 3.085 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185004112 496618961 /nfs/dbraw/zinc/61/89/61/496618961.db2.gz OTEDPYHWHPRJLX-QGZVFWFLSA-N 2 1 351.853 3.201 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175967398 496621901 /nfs/dbraw/zinc/62/19/01/496621901.db2.gz VCRMYLGRWIKKTD-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158134900 496635033 /nfs/dbraw/zinc/63/50/33/496635033.db2.gz ULIMMLGCRQCRSK-ZIAGYGMSSA-N 2 1 357.420 3.354 20 0 FGADMP CC[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000164948275 496641358 /nfs/dbraw/zinc/64/13/58/496641358.db2.gz VKFGXQNYVZWOBT-FGZHOGPDSA-N 2 1 365.521 3.420 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000158237121 496657226 /nfs/dbraw/zinc/65/72/26/496657226.db2.gz OWCMPOMMEAVNPY-ZIAGYGMSSA-N 2 1 373.419 3.234 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1F ZINC000166032380 496676811 /nfs/dbraw/zinc/67/68/11/496676811.db2.gz WEXQXQMSTDRUNX-FUHWJXTLSA-N 2 1 358.461 3.234 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166414825 496686439 /nfs/dbraw/zinc/68/64/39/496686439.db2.gz LRJUBHXYLGRACW-YPAWHYETSA-N 2 1 369.553 3.388 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000173428347 496688706 /nfs/dbraw/zinc/68/87/06/496688706.db2.gz NUSNKCQUQCNNCH-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP Cc1cc2cc([C@H](C)[NH2+]CCCCN3CC[NH+](CCO)CC3)oc2cc1C ZINC000168899951 496712730 /nfs/dbraw/zinc/71/27/30/496712730.db2.gz VQDAQXBITPSCCY-IBGZPJMESA-N 2 1 373.541 3.090 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cn1 ZINC000182248915 496719691 /nfs/dbraw/zinc/71/96/91/496719691.db2.gz USIUJNQYVQCUAA-LAUBAEHRSA-N 2 1 356.514 3.272 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247061991 496766393 /nfs/dbraw/zinc/76/63/93/496766393.db2.gz PONDWBPJYRNQDB-TXCZRRACSA-N 2 1 351.922 3.246 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000191474503 496775585 /nfs/dbraw/zinc/77/55/85/496775585.db2.gz QZNXNCVWSBVIGJ-MRXNPFEDSA-N 2 1 374.554 3.192 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCc2sccc2C1 ZINC000191474503 496775589 /nfs/dbraw/zinc/77/55/89/496775589.db2.gz QZNXNCVWSBVIGJ-MRXNPFEDSA-N 2 1 374.554 3.192 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768028 496779434 /nfs/dbraw/zinc/77/94/34/496779434.db2.gz OOGBJMCKHONRST-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1-n1cccn1 ZINC000268768028 496779437 /nfs/dbraw/zinc/77/94/37/496779437.db2.gz OOGBJMCKHONRST-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268785888 496785245 /nfs/dbraw/zinc/78/52/45/496785245.db2.gz CQOJXYHRGUDSRT-LAUBAEHRSA-N 2 1 351.494 3.189 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268785888 496785250 /nfs/dbraw/zinc/78/52/50/496785250.db2.gz CQOJXYHRGUDSRT-LAUBAEHRSA-N 2 1 351.494 3.189 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893098 496816385 /nfs/dbraw/zinc/81/63/85/496816385.db2.gz MBBPNXJSVCVSKW-PBHICJAKSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000268893098 496816391 /nfs/dbraw/zinc/81/63/91/496816391.db2.gz MBBPNXJSVCVSKW-PBHICJAKSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1Cl ZINC000268893098 496816394 /nfs/dbraw/zinc/81/63/94/496816394.db2.gz MBBPNXJSVCVSKW-PBHICJAKSA-N 2 1 365.905 3.093 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134459 496830133 /nfs/dbraw/zinc/83/01/33/496830133.db2.gz GDGJNBQPUYRTAG-UYAOXDASSA-N 2 1 361.493 3.440 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000247373076 496847157 /nfs/dbraw/zinc/84/71/57/496847157.db2.gz SGNXHKRUPLUBDP-LAUBAEHRSA-N 2 1 357.542 3.442 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000247559802 496888870 /nfs/dbraw/zinc/88/88/70/496888870.db2.gz QRHMQEYLJFRVBS-AZUAARDMSA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000247559802 496888872 /nfs/dbraw/zinc/88/88/72/496888872.db2.gz QRHMQEYLJFRVBS-AZUAARDMSA-N 2 1 356.510 3.243 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248001933 496940988 /nfs/dbraw/zinc/94/09/88/496940988.db2.gz KLSPSKTUWYULIT-WMLDXEAASA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248001933 496940989 /nfs/dbraw/zinc/94/09/89/496940989.db2.gz KLSPSKTUWYULIT-WMLDXEAASA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248001933 496940990 /nfs/dbraw/zinc/94/09/90/496940990.db2.gz KLSPSKTUWYULIT-WMLDXEAASA-N 2 1 365.905 3.093 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000191985611 496953830 /nfs/dbraw/zinc/95/38/30/496953830.db2.gz IZMZACDIPOXSGK-HXUWFJFHSA-N 2 1 356.510 3.316 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000195636020 496955474 /nfs/dbraw/zinc/95/54/74/496955474.db2.gz GXRXXRZOSGAOMF-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@@H](C)C1 ZINC000248120097 496956569 /nfs/dbraw/zinc/95/65/69/496956569.db2.gz NGAIEBOSQKBQRO-LCUZSREJSA-N 2 1 366.571 3.212 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248139552 496962028 /nfs/dbraw/zinc/96/20/28/496962028.db2.gz PMWDNZYMXRGZGT-IHPCNDPISA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000248184741 496971185 /nfs/dbraw/zinc/97/11/85/496971185.db2.gz XBZHGVZPIDWYLT-JLMWRMLUSA-N 2 1 365.521 3.433 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@H](c3cccs3)C(C)(C)C)CC[C@@H]21 ZINC000248214944 496972916 /nfs/dbraw/zinc/97/29/16/496972916.db2.gz ZLRDVTANSLGBBP-JTDSTZFVSA-N 2 1 363.571 3.368 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000578171299 505877842 /nfs/dbraw/zinc/87/78/42/505877842.db2.gz ZPXMKKVXTGAIMM-GOSISDBHSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000248395684 496994649 /nfs/dbraw/zinc/99/46/49/496994649.db2.gz GOJCDJDXQUDMGQ-MKXGPGLRSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248395684 496994650 /nfs/dbraw/zinc/99/46/50/496994650.db2.gz GOJCDJDXQUDMGQ-MKXGPGLRSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000248395684 496994652 /nfs/dbraw/zinc/99/46/52/496994652.db2.gz GOJCDJDXQUDMGQ-MKXGPGLRSA-N 2 1 364.578 3.059 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000248409293 497001139 /nfs/dbraw/zinc/00/11/39/497001139.db2.gz WMLGQKNWNRYRHO-ACIOBRDBSA-N 2 1 372.553 3.462 20 0 FGADMP c1c[nH]c([C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2ccncc2)n1 ZINC000189084157 497002989 /nfs/dbraw/zinc/00/29/89/497002989.db2.gz CYUQJXGHRKGQHP-NRFANRHFSA-N 2 1 361.493 3.396 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H](C)O1 ZINC000189093383 497006041 /nfs/dbraw/zinc/00/60/41/497006041.db2.gz SBAUAQQWDCCCKT-HDICACEKSA-N 2 1 374.504 3.050 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248555686 497038270 /nfs/dbraw/zinc/03/82/70/497038270.db2.gz IBRKXNBMLFIUMO-SQNIBIBYSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248555686 497038275 /nfs/dbraw/zinc/03/82/75/497038275.db2.gz IBRKXNBMLFIUMO-SQNIBIBYSA-N 2 1 373.541 3.115 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000227652566 497090317 /nfs/dbraw/zinc/09/03/17/497090317.db2.gz LRUNSZKJZLDSJG-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000227652566 497090322 /nfs/dbraw/zinc/09/03/22/497090322.db2.gz LRUNSZKJZLDSJG-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000270360529 497110595 /nfs/dbraw/zinc/11/05/95/497110595.db2.gz RLKZQPCNTKKZNA-OAQYLSRUSA-N 2 1 372.557 3.012 20 0 FGADMP CC(C)(CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236658301 497128854 /nfs/dbraw/zinc/12/88/54/497128854.db2.gz KIRACDLGQDBTSI-HXUWFJFHSA-N 2 1 351.494 3.030 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000236659186 497129079 /nfs/dbraw/zinc/12/90/79/497129079.db2.gz IVPUEAIWXOAGDM-GCJKJVERSA-N 2 1 371.569 3.211 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1nc(-c2ccccc2)cs1)N1CC[NH+](C)CC1 ZINC000236696457 497133606 /nfs/dbraw/zinc/13/36/06/497133606.db2.gz XKOVBQBVANLDFM-IBGZPJMESA-N 2 1 358.555 3.172 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000248924817 497136651 /nfs/dbraw/zinc/13/66/51/497136651.db2.gz FQPBQNVPVYXARS-HKBOAZHASA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248924817 497136654 /nfs/dbraw/zinc/13/66/54/497136654.db2.gz FQPBQNVPVYXARS-HKBOAZHASA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000248924817 497136656 /nfs/dbraw/zinc/13/66/56/497136656.db2.gz FQPBQNVPVYXARS-HKBOAZHASA-N 2 1 372.557 3.021 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000248933863 497136773 /nfs/dbraw/zinc/13/67/73/497136773.db2.gz YBTWKRNSSIGEKG-KMZZAYNNSA-N 2 1 357.542 3.180 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000236728173 497138365 /nfs/dbraw/zinc/13/83/65/497138365.db2.gz VCCKOQUYKLHXNC-FQEVSTJZSA-N 2 1 357.542 3.315 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)CC[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000236817447 497150726 /nfs/dbraw/zinc/15/07/26/497150726.db2.gz BGMITWOBEFQLLW-IBGZPJMESA-N 2 1 371.550 3.436 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)CC[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000236817447 497150728 /nfs/dbraw/zinc/15/07/28/497150728.db2.gz BGMITWOBEFQLLW-IBGZPJMESA-N 2 1 371.550 3.436 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000236829150 497153645 /nfs/dbraw/zinc/15/36/45/497153645.db2.gz HXYGASAUUZOYEZ-KRWDZBQOSA-N 2 1 358.511 3.088 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000236859202 497158177 /nfs/dbraw/zinc/15/81/77/497158177.db2.gz BSGMKNVCPKOFDE-CYBMUJFWSA-N 2 1 368.319 3.240 20 0 FGADMP Cc1ccc(C(=O)CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000274788771 497166542 /nfs/dbraw/zinc/16/65/42/497166542.db2.gz BMZVQSIAMWPBMP-UHFFFAOYSA-N 2 1 357.542 3.058 20 0 FGADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000278644041 497177037 /nfs/dbraw/zinc/17/70/37/497177037.db2.gz HRZOZHXAOLQULT-HNNXBMFYSA-N 2 1 360.454 3.248 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CCOCC1 ZINC000249204628 497180523 /nfs/dbraw/zinc/18/05/23/497180523.db2.gz VKZQIVYWIPLPBM-XMSQKQJNSA-N 2 1 360.542 3.450 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000249517737 497216665 /nfs/dbraw/zinc/21/66/65/497216665.db2.gz HJXGSGSMTZTNPJ-WOJBJXKFSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000249517737 497216668 /nfs/dbraw/zinc/21/66/68/497216668.db2.gz HJXGSGSMTZTNPJ-WOJBJXKFSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000249517737 497216673 /nfs/dbraw/zinc/21/66/73/497216673.db2.gz HJXGSGSMTZTNPJ-WOJBJXKFSA-N 2 1 366.594 3.452 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192884230 497237580 /nfs/dbraw/zinc/23/75/80/497237580.db2.gz QMSHMOMTQDSRBO-UHFFFAOYSA-N 2 1 370.497 3.363 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000237475308 497242768 /nfs/dbraw/zinc/24/27/68/497242768.db2.gz GSJGBLCWTRIFFD-GOSISDBHSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000237490431 497246130 /nfs/dbraw/zinc/24/61/30/497246130.db2.gz RJYKWPCILKESHN-YYDGMXKLSA-N 2 1 369.553 3.419 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000278889572 497256831 /nfs/dbraw/zinc/25/68/31/497256831.db2.gz HSXTUWHXBRQPLY-IHPCNDPISA-N 2 1 357.498 3.256 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000278889572 497256835 /nfs/dbraw/zinc/25/68/35/497256835.db2.gz HSXTUWHXBRQPLY-IHPCNDPISA-N 2 1 357.498 3.256 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235775 505894912 /nfs/dbraw/zinc/89/49/12/505894912.db2.gz XNYKBLANJXVWBD-CBQOVEMMSA-N 2 1 365.521 3.493 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250285384 497263842 /nfs/dbraw/zinc/26/38/42/497263842.db2.gz KSGMZQHUHRNVAV-SFTDATJTSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000250285384 497263845 /nfs/dbraw/zinc/26/38/45/497263845.db2.gz KSGMZQHUHRNVAV-SFTDATJTSA-N 2 1 360.542 3.179 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000237673661 497273836 /nfs/dbraw/zinc/27/38/36/497273836.db2.gz GSJGBLCWTRIFFD-SFHVURJKSA-N 2 1 357.542 3.315 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000572126854 505896479 /nfs/dbraw/zinc/89/64/79/505896479.db2.gz OOBHCMBTQRYWGV-HXUWFJFHSA-N 2 1 372.557 3.017 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000572126854 505896483 /nfs/dbraw/zinc/89/64/83/505896483.db2.gz OOBHCMBTQRYWGV-HXUWFJFHSA-N 2 1 372.557 3.017 20 0 FGADMP CN(CCC[NH+](C)Cc1ccncc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000572126854 505896486 /nfs/dbraw/zinc/89/64/86/505896486.db2.gz OOBHCMBTQRYWGV-HXUWFJFHSA-N 2 1 372.557 3.017 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275352021 497298085 /nfs/dbraw/zinc/29/80/85/497298085.db2.gz ACIGDYZVBAYSDO-DOTOQJQBSA-N 2 1 374.916 3.126 20 0 FGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193155414 497314008 /nfs/dbraw/zinc/31/40/08/497314008.db2.gz OWNZYXRKGKWIPD-SJORKVTESA-N 2 1 361.511 3.261 20 0 FGADMP [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000237937958 497317142 /nfs/dbraw/zinc/31/71/42/497317142.db2.gz LWXIAWYXJGZRQW-ZIAGYGMSSA-N 2 1 370.324 3.201 20 0 FGADMP CC(=O)Nc1ccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052222 497317181 /nfs/dbraw/zinc/31/71/81/497317181.db2.gz KFWMXPRQDDQTGG-JXFKEZNVSA-N 2 1 352.482 3.040 20 0 FGADMP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237936603 497317168 /nfs/dbraw/zinc/31/71/68/497317168.db2.gz MSBBOIWGOFZJDD-NHCUHLMSSA-N 2 1 351.494 3.247 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052222 497317185 /nfs/dbraw/zinc/31/71/85/497317185.db2.gz KFWMXPRQDDQTGG-JXFKEZNVSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052222 497317186 /nfs/dbraw/zinc/31/71/86/497317186.db2.gz KFWMXPRQDDQTGG-JXFKEZNVSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052222 497317189 /nfs/dbraw/zinc/31/71/89/497317189.db2.gz KFWMXPRQDDQTGG-JXFKEZNVSA-N 2 1 352.482 3.040 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000193299867 497344042 /nfs/dbraw/zinc/34/40/42/497344042.db2.gz YYCCQQGNVITSKO-YJBOKZPZSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000193299867 497344046 /nfs/dbraw/zinc/34/40/46/497344046.db2.gz YYCCQQGNVITSKO-YJBOKZPZSA-N 2 1 357.523 3.091 20 0 FGADMP CC(C)Cn1cc(C[NH+]2CCC3(C[C@H]3[N@H+](C)Cc3nccs3)CC2)cn1 ZINC000275508366 497348359 /nfs/dbraw/zinc/34/83/59/497348359.db2.gz CIVXMRJSSBVUGI-GOSISDBHSA-N 2 1 373.570 3.482 20 0 FGADMP CC(C)Cn1cc(C[NH+]2CCC3(C[C@H]3[N@@H+](C)Cc3nccs3)CC2)cn1 ZINC000275508366 497348360 /nfs/dbraw/zinc/34/83/60/497348360.db2.gz CIVXMRJSSBVUGI-GOSISDBHSA-N 2 1 373.570 3.482 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000275513133 497349425 /nfs/dbraw/zinc/34/94/25/497349425.db2.gz KNHDNWQCQXIVIC-LSDHHAIUSA-N 2 1 360.889 3.414 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000279178389 497358529 /nfs/dbraw/zinc/35/85/29/497358529.db2.gz JYYHCQSKBXRGEJ-JBACZVJFSA-N 2 1 357.542 3.087 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279178389 497358535 /nfs/dbraw/zinc/35/85/35/497358535.db2.gz JYYHCQSKBXRGEJ-JBACZVJFSA-N 2 1 357.542 3.087 20 0 FGADMP CCN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000279178389 497358539 /nfs/dbraw/zinc/35/85/39/497358539.db2.gz JYYHCQSKBXRGEJ-JBACZVJFSA-N 2 1 357.542 3.087 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000575001220 505902266 /nfs/dbraw/zinc/90/22/66/505902266.db2.gz APUXJLGNUGCMLF-QHCPKHFHSA-N 2 1 365.521 3.185 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000255955879 497380566 /nfs/dbraw/zinc/38/05/66/497380566.db2.gz FOIQZIAMONSGDK-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000255955879 497380570 /nfs/dbraw/zinc/38/05/70/497380570.db2.gz FOIQZIAMONSGDK-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000255955879 497380573 /nfs/dbraw/zinc/38/05/73/497380573.db2.gz FOIQZIAMONSGDK-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245429152 497401103 /nfs/dbraw/zinc/40/11/03/497401103.db2.gz MXNANCDJUGQVON-BBRMVZONSA-N 2 1 373.419 3.186 20 0 FGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000275845507 497445668 /nfs/dbraw/zinc/44/56/68/497445668.db2.gz KCURCLRCEAMYQY-PZJWPPBQSA-N 2 1 355.530 3.428 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000261835918 497458839 /nfs/dbraw/zinc/45/88/39/497458839.db2.gz OPNIJRJILMOFAW-XLIONFOSSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000261835920 497459583 /nfs/dbraw/zinc/45/95/83/497459583.db2.gz OPNIJRJILMOFAW-YLJYHZDGSA-N 2 1 351.494 3.128 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H](c1nccn1C)C1CC1 ZINC000271860481 497472072 /nfs/dbraw/zinc/47/20/72/497472072.db2.gz YSGIHDVGHFQNGY-FQEVSTJZSA-N 2 1 356.514 3.382 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H](c1nccn1C)C1CC1 ZINC000271860484 497472673 /nfs/dbraw/zinc/47/26/73/497472673.db2.gz YSGIHDVGHFQNGY-HXUWFJFHSA-N 2 1 356.514 3.382 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261924499 497477105 /nfs/dbraw/zinc/47/71/05/497477105.db2.gz BYRYRXDYMRNUEO-HXUWFJFHSA-N 2 1 358.917 3.387 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261924499 497477107 /nfs/dbraw/zinc/47/71/07/497477107.db2.gz BYRYRXDYMRNUEO-HXUWFJFHSA-N 2 1 358.917 3.387 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCC4(CC2)OCCO4)C3)cc1 ZINC000245729429 497519598 /nfs/dbraw/zinc/51/95/98/497519598.db2.gz PZANBLNZXQCDMJ-MZADTFQBSA-N 2 1 356.510 3.457 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520804 /nfs/dbraw/zinc/52/08/04/497520804.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520806 /nfs/dbraw/zinc/52/08/06/497520806.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 3 1 372.601 3.379 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520808 /nfs/dbraw/zinc/52/08/08/497520808.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 2 1 372.601 3.379 20 0 FGADMP CC[N@@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520810 /nfs/dbraw/zinc/52/08/10/497520810.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 2 1 372.601 3.379 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520812 /nfs/dbraw/zinc/52/08/12/497520812.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@@H]([N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520814 /nfs/dbraw/zinc/52/08/14/497520814.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 2 1 372.601 3.379 20 0 FGADMP CCN1CC[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000245734286 497520816 /nfs/dbraw/zinc/52/08/16/497520816.db2.gz KIIIBAPRBPCSND-SIKLNZKXSA-N 2 1 372.601 3.379 20 0 FGADMP CC1CCC(N(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C2CC2)CC1 ZINC000245742639 497524106 /nfs/dbraw/zinc/52/41/06/497524106.db2.gz XJGPPHNWXLTFFZ-MKQGEQSTSA-N 2 1 358.530 3.336 20 0 FGADMP CC1CCC(N(C(=O)CN2CC[C@@H](C)[C@@H](n3ccnc3)C2)C2CC2)CC1 ZINC000245742639 497524110 /nfs/dbraw/zinc/52/41/10/497524110.db2.gz XJGPPHNWXLTFFZ-MKQGEQSTSA-N 2 1 358.530 3.336 20 0 FGADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000578324101 505914636 /nfs/dbraw/zinc/91/46/36/505914636.db2.gz QUKPKTWQKHWKRR-DFQSSKMNSA-N 2 1 351.494 3.252 20 0 FGADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000578324101 505914640 /nfs/dbraw/zinc/91/46/40/505914640.db2.gz QUKPKTWQKHWKRR-DFQSSKMNSA-N 2 1 351.494 3.252 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272265301 497580798 /nfs/dbraw/zinc/58/07/98/497580798.db2.gz NBXLRXBIJGWRGO-QUCCMNQESA-N 2 1 372.557 3.069 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)[NH+]1CCCC1 ZINC000245954260 497583361 /nfs/dbraw/zinc/58/33/61/497583361.db2.gz LNVFIKNLDIJZCF-AQNXPRMDSA-N 2 1 364.578 3.013 20 0 FGADMP [NH3+]CC1(CC(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCCC1 ZINC000262617906 497584401 /nfs/dbraw/zinc/58/44/01/497584401.db2.gz CBRGWDRRQILUAD-QGZVFWFLSA-N 2 1 363.571 3.376 20 0 FGADMP CN(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000272281154 497585605 /nfs/dbraw/zinc/58/56/05/497585605.db2.gz ACOKLQHIVGVNQM-NNZMDNLPSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262674870 497597372 /nfs/dbraw/zinc/59/73/72/497597372.db2.gz RJYKWPCILKESHN-IWTFSIHTSA-N 2 1 369.553 3.419 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000569363219 505916886 /nfs/dbraw/zinc/91/68/86/505916886.db2.gz GXGWQGYBPZWHQP-TZIWHRDSSA-N 2 1 366.509 3.474 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000569363219 505916888 /nfs/dbraw/zinc/91/68/88/505916888.db2.gz GXGWQGYBPZWHQP-TZIWHRDSSA-N 2 1 366.509 3.474 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132702 505917390 /nfs/dbraw/zinc/91/73/90/505917390.db2.gz MMNKSXQFBSXUPF-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262737733 497612241 /nfs/dbraw/zinc/61/22/41/497612241.db2.gz CHISMUQOCFWILC-IFMALSPDSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246094318 497619761 /nfs/dbraw/zinc/61/97/61/497619761.db2.gz JMDOVZGDEJURNL-AEFFLSMTSA-N 2 1 358.448 3.273 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262817815 497628404 /nfs/dbraw/zinc/62/84/04/497628404.db2.gz GLNUJYSOTDMSEB-QHCPKHFHSA-N 2 1 365.521 3.231 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1sccc1C[NH+](C)C ZINC000268004763 497656491 /nfs/dbraw/zinc/65/64/91/497656491.db2.gz DZSAHRJFUSMDTE-SFHVURJKSA-N 2 1 371.550 3.404 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000246265225 497677942 /nfs/dbraw/zinc/67/79/42/497677942.db2.gz LQTSLOHQIDDANZ-YWPYICTPSA-N 2 1 371.319 3.285 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000246265225 497677950 /nfs/dbraw/zinc/67/79/50/497677950.db2.gz LQTSLOHQIDDANZ-YWPYICTPSA-N 2 1 371.319 3.285 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246392213 497717749 /nfs/dbraw/zinc/71/77/49/497717749.db2.gz JEQVRXKEUOBWSA-UFYCRDLUSA-N 2 1 366.594 3.115 20 0 FGADMP Cc1cc[nH+]c(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)c1 ZINC000268304626 497722755 /nfs/dbraw/zinc/72/27/55/497722755.db2.gz IFJZTEHPGYRWHX-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP Cc1cc[nH+]c(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)c1 ZINC000268304626 497722762 /nfs/dbraw/zinc/72/27/62/497722762.db2.gz IFJZTEHPGYRWHX-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000246432708 497732551 /nfs/dbraw/zinc/73/25/51/497732551.db2.gz MTTVVBYDNGVZKK-JBACZVJFSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263262460 497744205 /nfs/dbraw/zinc/74/42/05/497744205.db2.gz MVHPSMMACCUKDU-QKLQHJQFSA-N 2 1 371.550 3.412 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272853211 497745797 /nfs/dbraw/zinc/74/57/97/497745797.db2.gz SWVXKWLQWPZPCV-UYAOXDASSA-N 2 1 369.509 3.208 20 0 FGADMP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246723373 497804419 /nfs/dbraw/zinc/80/44/19/497804419.db2.gz OFHHCVFETUUOQO-RDJZCZTQSA-N 2 1 356.432 3.027 20 0 FGADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246723363 497804427 /nfs/dbraw/zinc/80/44/27/497804427.db2.gz OFHHCVFETUUOQO-DOTOQJQBSA-N 2 1 356.432 3.027 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246734979 497805846 /nfs/dbraw/zinc/80/58/46/497805846.db2.gz XXZUXGYRIKVWFV-YLJYHZDGSA-N 2 1 360.546 3.010 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246818259 497813414 /nfs/dbraw/zinc/81/34/14/497813414.db2.gz NORAWANWJWOMNF-LAUBAEHRSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246818259 497813416 /nfs/dbraw/zinc/81/34/16/497813416.db2.gz NORAWANWJWOMNF-LAUBAEHRSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246818259 497813418 /nfs/dbraw/zinc/81/34/18/497813418.db2.gz NORAWANWJWOMNF-LAUBAEHRSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246818259 497813419 /nfs/dbraw/zinc/81/34/19/497813419.db2.gz NORAWANWJWOMNF-LAUBAEHRSA-N 2 1 371.525 3.363 20 0 FGADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263770859 497814501 /nfs/dbraw/zinc/81/45/01/497814501.db2.gz SUIAUQUETQQQTO-OTWHNJEPSA-N 2 1 373.541 3.143 20 0 FGADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263770859 497814503 /nfs/dbraw/zinc/81/45/03/497814503.db2.gz SUIAUQUETQQQTO-OTWHNJEPSA-N 2 1 373.541 3.143 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246834137 497814928 /nfs/dbraw/zinc/81/49/28/497814928.db2.gz XTJYAVAIHWFAQM-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246834137 497814930 /nfs/dbraw/zinc/81/49/30/497814930.db2.gz XTJYAVAIHWFAQM-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246834137 497814931 /nfs/dbraw/zinc/81/49/31/497814931.db2.gz XTJYAVAIHWFAQM-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000246870235 497817849 /nfs/dbraw/zinc/81/78/49/497817849.db2.gz CNXIEQANYBSWOZ-AHEZYBDSSA-N 2 1 366.347 3.346 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C12CCOCC2 ZINC000364234205 497853686 /nfs/dbraw/zinc/85/36/86/497853686.db2.gz BNYCVMHRYMSLMV-UWHLTILDSA-N 2 1 358.526 3.243 20 0 FGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268990 497871583 /nfs/dbraw/zinc/87/15/83/497871583.db2.gz YDNNKPWCZVYFKV-VQIMIIECSA-N 2 1 354.502 3.056 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000364270832 497873140 /nfs/dbraw/zinc/87/31/40/497873140.db2.gz GVNVMACJNPDMSM-OKZBNKHCSA-N 2 1 361.534 3.226 20 0 FGADMP [NH3+]C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240538 505941229 /nfs/dbraw/zinc/94/12/29/505941229.db2.gz JEZNUJRFOJJWNB-TZIWHRDSSA-N 2 1 366.509 3.156 20 0 FGADMP CCn1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000296003299 497887595 /nfs/dbraw/zinc/88/75/95/497887595.db2.gz LBPFHFUBYJKEJM-UHFFFAOYSA-N 2 1 353.514 3.095 20 0 FGADMP CCn1nc(C)c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000296003299 497887600 /nfs/dbraw/zinc/88/76/00/497887600.db2.gz LBPFHFUBYJKEJM-UHFFFAOYSA-N 2 1 353.514 3.095 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363449 497921076 /nfs/dbraw/zinc/92/10/76/497921076.db2.gz MCRCEFMGSIPKQX-YJBOKZPZSA-N 2 1 368.518 3.146 20 0 FGADMP Cc1noc(C2CCC([NH2+]C3CCN(c4cc(C)[nH+]c(C)n4)CC3)CC2)n1 ZINC000280958177 497964649 /nfs/dbraw/zinc/96/46/49/497964649.db2.gz JKMDBOPLVXXYFC-UHFFFAOYSA-N 2 1 370.501 3.070 20 0 FGADMP Cc1cc(C)c(N2CC[C@@H](N3CCC(c4c[nH]cn4)CC3)C2=O)c(C)c1 ZINC000364515829 497996674 /nfs/dbraw/zinc/99/66/74/497996674.db2.gz CXNJKCSGMVKBJV-LJQANCHMSA-N 2 1 352.482 3.320 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[C@@H](C[NH+](C)C)C3)c2c1C ZINC000301240629 498016069 /nfs/dbraw/zinc/01/60/69/498016069.db2.gz FVTIXPNOCYRSGI-INIZCTEOSA-N 2 1 373.570 3.292 20 0 FGADMP Cc1cc(OCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)ccc1C(C)C ZINC000364556376 498022433 /nfs/dbraw/zinc/02/24/33/498022433.db2.gz JDALVNDTTAYOCY-FQEVSTJZSA-N 2 1 359.558 3.209 20 0 FGADMP Cc1cc(OCC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)ccc1C(C)C ZINC000364556376 498022439 /nfs/dbraw/zinc/02/24/39/498022439.db2.gz JDALVNDTTAYOCY-FQEVSTJZSA-N 2 1 359.558 3.209 20 0 FGADMP CC(C)O[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000292550870 498057167 /nfs/dbraw/zinc/05/71/67/498057167.db2.gz QXKUVTCCKQSCGR-FGZHOGPDSA-N 2 1 359.558 3.255 20 0 FGADMP CC(C)O[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000292550870 498057172 /nfs/dbraw/zinc/05/71/72/498057172.db2.gz QXKUVTCCKQSCGR-FGZHOGPDSA-N 2 1 359.558 3.255 20 0 FGADMP Clc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000569605563 505974652 /nfs/dbraw/zinc/97/46/52/505974652.db2.gz MWTRJKNCVOUTNO-CWRNSKLLSA-N 2 1 373.722 3.349 20 0 FGADMP CCOCC[NH+]1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000301397068 498091830 /nfs/dbraw/zinc/09/18/30/498091830.db2.gz GRHSEAZZBUJELS-UHFFFAOYSA-N 2 1 364.287 3.156 20 0 FGADMP C[NH+](C[C@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285492921 498105922 /nfs/dbraw/zinc/10/59/22/498105922.db2.gz MCYYSDBRDQXTBU-WFVVYAPDSA-N 2 1 353.304 3.040 20 0 FGADMP C[N@H+](C[C@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285492921 498105910 /nfs/dbraw/zinc/10/59/10/498105910.db2.gz MCYYSDBRDQXTBU-WFVVYAPDSA-N 2 1 353.304 3.040 20 0 FGADMP C[N@@H+](C[C@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285492921 498105916 /nfs/dbraw/zinc/10/59/16/498105916.db2.gz MCYYSDBRDQXTBU-WFVVYAPDSA-N 2 1 353.304 3.040 20 0 FGADMP C[NH+](C[C@H](O)c1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285492921 498105926 /nfs/dbraw/zinc/10/59/26/498105926.db2.gz MCYYSDBRDQXTBU-WFVVYAPDSA-N 2 1 353.304 3.040 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+]([C@H]3C[C@@H]3C)C[C@H](C)C2)cc1 ZINC000581419212 505984477 /nfs/dbraw/zinc/98/44/77/505984477.db2.gz NTGHGVPRCCNGSH-USNOLKROSA-N 2 1 372.557 3.182 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000289431564 498143493 /nfs/dbraw/zinc/14/34/93/498143493.db2.gz DFZYCCTZLXCUSU-GOSISDBHSA-N 2 1 352.482 3.379 20 0 FGADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511960 505986672 /nfs/dbraw/zinc/98/66/72/505986672.db2.gz IQYNNZKZTPUIHW-IAGOWNOFSA-N 2 1 364.534 3.225 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH3+])CC2)c(C)n1CCc1ccc(F)cc1 ZINC000581429797 505986897 /nfs/dbraw/zinc/98/68/97/505986897.db2.gz FSPOKLKGKUJMPS-UHFFFAOYSA-N 2 1 371.500 3.340 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285627995 498152066 /nfs/dbraw/zinc/15/20/66/498152066.db2.gz LDNSIWPFQSABDH-GOSISDBHSA-N 2 1 363.546 3.081 20 0 FGADMP CC1(O)CC[NH+](Cc2cc(Cl)cc(C[NH+]3CCC(C)(O)CC3)c2)CC1 ZINC000296762502 498186270 /nfs/dbraw/zinc/18/62/70/498186270.db2.gz LUZJQXFKLFTSQZ-UHFFFAOYSA-N 2 1 366.933 3.034 20 0 FGADMP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301810002 498274277 /nfs/dbraw/zinc/27/42/77/498274277.db2.gz BCQNFQSCUBAIBS-DFNIBXOVSA-N 2 1 368.500 3.430 20 0 FGADMP COc1ccc([C@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC[NH+]2C)cc1 ZINC000365236263 498367001 /nfs/dbraw/zinc/36/70/01/498367001.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@@H+]2C)cc1 ZINC000365236263 498367006 /nfs/dbraw/zinc/36/70/06/498367006.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@H+]2C)cc1 ZINC000365236263 498367012 /nfs/dbraw/zinc/36/70/12/498367012.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCCN2C)cc1 ZINC000365236263 498367016 /nfs/dbraw/zinc/36/70/16/498367016.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCCN2C)cc1 ZINC000365236263 498367022 /nfs/dbraw/zinc/36/70/22/498367022.db2.gz SLUWCCOPPPQCTL-XVYSMGQJSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cc1O ZINC000289961975 498371245 /nfs/dbraw/zinc/37/12/45/498371245.db2.gz XBDHMLAWCHJNHI-DLBZAZTESA-N 2 1 370.493 3.472 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978544 498379275 /nfs/dbraw/zinc/37/92/75/498379275.db2.gz XSCVIMFWVTXIRP-RYRKJORJSA-N 2 1 350.503 3.188 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(O)c2)[C@H](C)C1 ZINC000289978544 498379283 /nfs/dbraw/zinc/37/92/83/498379283.db2.gz XSCVIMFWVTXIRP-RYRKJORJSA-N 2 1 350.503 3.188 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293530251 498404346 /nfs/dbraw/zinc/40/43/46/498404346.db2.gz DTZVPERNIXHUGN-QFBILLFUSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000572685993 506028967 /nfs/dbraw/zinc/02/89/67/506028967.db2.gz SMLBDJODRAVFTB-AZUAARDMSA-N 2 1 365.525 3.354 20 0 FGADMP C[C@H]1C[C@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000572685993 506028969 /nfs/dbraw/zinc/02/89/69/506028969.db2.gz SMLBDJODRAVFTB-AZUAARDMSA-N 2 1 365.525 3.354 20 0 FGADMP C(CCC[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361748314 498425538 /nfs/dbraw/zinc/42/55/38/498425538.db2.gz BIIPOELOALPYDF-CIAFKFPVSA-N 2 1 364.574 3.264 20 0 FGADMP C(CCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361748314 498425542 /nfs/dbraw/zinc/42/55/42/498425542.db2.gz BIIPOELOALPYDF-CIAFKFPVSA-N 2 1 364.574 3.264 20 0 FGADMP C(CCC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1)CC[NH+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361748314 498425547 /nfs/dbraw/zinc/42/55/47/498425547.db2.gz BIIPOELOALPYDF-CIAFKFPVSA-N 2 1 364.574 3.264 20 0 FGADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000293645820 498440874 /nfs/dbraw/zinc/44/08/74/498440874.db2.gz HUFXQJYLFRUUAT-GOSISDBHSA-N 2 1 355.526 3.229 20 0 FGADMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000361946426 498442799 /nfs/dbraw/zinc/44/27/99/498442799.db2.gz XEFNHQIVWWFQLQ-QFBILLFUSA-N 2 1 372.538 3.106 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000362104213 498464819 /nfs/dbraw/zinc/46/48/19/498464819.db2.gz XBMNOOHCMUFARS-GOSISDBHSA-N 2 1 368.529 3.169 20 0 FGADMP CN(CCCN(C)Cc1ncc(-c2cccc(Cl)c2)o1)CC[NH+](C)C ZINC000575951688 506040505 /nfs/dbraw/zinc/04/05/05/506040505.db2.gz VSVWYTCUONDVHI-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CN(CCC[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1)CC[NH+](C)C ZINC000575951688 506040507 /nfs/dbraw/zinc/04/05/07/506040507.db2.gz VSVWYTCUONDVHI-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1)CC[NH+](C)C ZINC000575951688 506040509 /nfs/dbraw/zinc/04/05/09/506040509.db2.gz VSVWYTCUONDVHI-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282409906 498500365 /nfs/dbraw/zinc/50/03/65/498500365.db2.gz KYVCLFWWTVZWSD-CBNMVNINSA-N 2 1 357.542 3.324 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000282409906 498500372 /nfs/dbraw/zinc/50/03/72/498500372.db2.gz KYVCLFWWTVZWSD-CBNMVNINSA-N 2 1 357.542 3.324 20 0 FGADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000578888597 506045669 /nfs/dbraw/zinc/04/56/69/506045669.db2.gz GSJNVDJRQUGDKY-MOPGFXCFSA-N 2 1 366.546 3.123 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888230 506045827 /nfs/dbraw/zinc/04/58/27/506045827.db2.gz XEYDOLLIFXYKBV-GRDNDAEWSA-N 2 1 354.926 3.148 20 0 FGADMP Cc1oc(-c2cccs2)nc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362486171 498522560 /nfs/dbraw/zinc/52/25/60/498522560.db2.gz KMTUAZUAXRLGCH-KRWDZBQOSA-N 2 1 374.554 3.312 20 0 FGADMP Cc1cccc(NC2CC[NH+](C[C@@H]3CN(c4ccccc4)C(=O)O3)CC2)[nH+]1 ZINC000365569496 498536936 /nfs/dbraw/zinc/53/69/36/498536936.db2.gz LQBMEOCMCVLFIC-LJQANCHMSA-N 2 1 366.465 3.292 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000363041680 498619002 /nfs/dbraw/zinc/61/90/02/498619002.db2.gz WXZDEXRNSPRJIU-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP COCCCn1nccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000282708504 498621964 /nfs/dbraw/zinc/62/19/64/498621964.db2.gz ATDDGHXTCDKZDO-UHFFFAOYSA-N 2 1 370.541 3.264 20 0 FGADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(Br)cc1)C1=CC[N@@H+](C)CC1 ZINC000581813436 506067553 /nfs/dbraw/zinc/06/75/53/506067553.db2.gz HQLRALXWOWOOPB-ZDUSSCGKSA-N 2 1 366.303 3.018 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000294404104 498683927 /nfs/dbraw/zinc/68/39/27/498683927.db2.gz MHTPTWYHUIQMEE-UHFFFAOYSA-N 2 1 363.465 3.039 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000294462539 498699254 /nfs/dbraw/zinc/69/92/54/498699254.db2.gz DSOZMZGFDZGZMU-INIZCTEOSA-N 2 1 363.465 3.127 20 0 FGADMP C[N@H+](Cc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000363237057 498719148 /nfs/dbraw/zinc/71/91/48/498719148.db2.gz DFNSXTLZCAVAII-CBQGHPETSA-N 2 1 363.505 3.413 20 0 FGADMP C[N@@H+](Cc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000363237057 498719154 /nfs/dbraw/zinc/71/91/54/498719154.db2.gz DFNSXTLZCAVAII-CBQGHPETSA-N 2 1 363.505 3.413 20 0 FGADMP C[NH+](Cc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000363237057 498719162 /nfs/dbraw/zinc/71/91/62/498719162.db2.gz DFNSXTLZCAVAII-CBQGHPETSA-N 2 1 363.505 3.413 20 0 FGADMP C[NH+](Cc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000363237057 498719168 /nfs/dbraw/zinc/71/91/68/498719168.db2.gz DFNSXTLZCAVAII-CBQGHPETSA-N 2 1 363.505 3.413 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000303936269 498729887 /nfs/dbraw/zinc/72/98/87/498729887.db2.gz XXSRATRBZSPLMS-LJQANCHMSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000303936269 498729891 /nfs/dbraw/zinc/72/98/91/498729891.db2.gz XXSRATRBZSPLMS-LJQANCHMSA-N 2 1 372.557 3.023 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363260488 498733527 /nfs/dbraw/zinc/73/35/27/498733527.db2.gz WSPYAOAXNLXMEQ-FKBYEOEOSA-N 2 1 367.537 3.229 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000283021554 498748030 /nfs/dbraw/zinc/74/80/30/498748030.db2.gz GWSKLPZZXGRRSH-TZIWHRDSSA-N 2 1 355.526 3.099 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000291007427 498755287 /nfs/dbraw/zinc/75/52/87/498755287.db2.gz UMPAMANZOOKWPA-UHFFFAOYSA-N 2 1 370.497 3.042 20 0 FGADMP CC(C)[C@@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363321638 498761344 /nfs/dbraw/zinc/76/13/44/498761344.db2.gz UFQUEJKMWSAFQK-SFHVURJKSA-N 2 1 351.579 3.323 20 0 FGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000287572548 498801260 /nfs/dbraw/zinc/80/12/60/498801260.db2.gz QRKUUIYIUDHOEY-NQIIRXRSSA-N 2 1 362.477 3.423 20 0 FGADMP CCCCn1c(SCCc2c[nH+]cn2C)nnc1[C@@H](CC)N(C)C ZINC000298522923 498801551 /nfs/dbraw/zinc/80/15/51/498801551.db2.gz WTGUVJZEEPWSAT-OAHLLOKOSA-N 2 1 350.536 3.159 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167743 498804575 /nfs/dbraw/zinc/80/45/75/498804575.db2.gz PIDKRZBWGPDQRU-KAGYGMCKSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000283167743 498804580 /nfs/dbraw/zinc/80/45/80/498804580.db2.gz PIDKRZBWGPDQRU-KAGYGMCKSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000283167743 498804584 /nfs/dbraw/zinc/80/45/84/498804584.db2.gz PIDKRZBWGPDQRU-KAGYGMCKSA-N 2 1 367.537 3.097 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363413898 498807768 /nfs/dbraw/zinc/80/77/68/498807768.db2.gz IJPSMMHGPHMGIJ-YZGWKJHDSA-N 2 1 355.526 3.473 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2CC(=O)c2cccs2)CC1 ZINC000283255341 498831608 /nfs/dbraw/zinc/83/16/08/498831608.db2.gz KFIBGKDBBSPRGU-GOSISDBHSA-N 2 1 363.571 3.201 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363498508 498849324 /nfs/dbraw/zinc/84/93/24/498849324.db2.gz ZCMABQJZQCJUPW-FQEVSTJZSA-N 2 1 355.526 3.032 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000295108669 498912889 /nfs/dbraw/zinc/91/28/89/498912889.db2.gz WZYJXYUNQSYXQM-OXJNMPFZSA-N 2 1 361.505 3.342 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCC3(CCC[N@H+]3C)CC2)ncn1 ZINC000333217466 498940675 /nfs/dbraw/zinc/94/06/75/498940675.db2.gz QXNIGIARTYATRN-XLIONFOSSA-N 2 1 373.545 3.157 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000573117001 506122729 /nfs/dbraw/zinc/12/27/29/506122729.db2.gz BHCQJMLIZJMOID-CYBMUJFWSA-N 2 1 372.340 3.462 20 0 FGADMP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362792 498991483 /nfs/dbraw/zinc/99/14/83/498991483.db2.gz XUEMVKZANZUOAB-UXHICEINSA-N 2 1 374.525 3.096 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc2c[nH+]cn2c1 ZINC000283859747 499000750 /nfs/dbraw/zinc/00/07/50/499000750.db2.gz IJCDRTHTHGVJPN-OAHLLOKOSA-N 2 1 354.479 3.038 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)[C@@H](C)C1 ZINC000366732338 499052923 /nfs/dbraw/zinc/05/29/23/499052923.db2.gz WJYHVUKNZAZZPD-NMLBUPMWSA-N 2 1 362.562 3.173 20 0 FGADMP C[C@@H](NCc1cnnn1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776807 499064476 /nfs/dbraw/zinc/06/44/76/499064476.db2.gz UJMNPEURMHLCIL-MJGOQNOKSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000291776807 499064481 /nfs/dbraw/zinc/06/44/81/499064481.db2.gz UJMNPEURMHLCIL-MJGOQNOKSA-N 2 1 353.514 3.069 20 0 FGADMP C[C@@H]([NH2+]Cc1cnnn1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000291776807 499064485 /nfs/dbraw/zinc/06/44/85/499064485.db2.gz UJMNPEURMHLCIL-MJGOQNOKSA-N 2 1 353.514 3.069 20 0 FGADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000284286017 499082612 /nfs/dbraw/zinc/08/26/12/499082612.db2.gz JZTXIJOTFOVGLL-IOMROCGXSA-N 2 1 358.526 3.422 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000333889351 499093990 /nfs/dbraw/zinc/09/39/90/499093990.db2.gz WSYFIBDMKSPORN-TZMCWYRMSA-N 2 1 363.449 3.189 20 0 FGADMP COc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1Cl ZINC000284463628 499111538 /nfs/dbraw/zinc/11/15/38/499111538.db2.gz TZXDTSCFPGKDDH-MORSLUCNSA-N 2 1 367.921 3.162 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000369927232 499153359 /nfs/dbraw/zinc/15/33/59/499153359.db2.gz LWKIOVHFKAZORG-MAUKXSAKSA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000369927232 499153360 /nfs/dbraw/zinc/15/33/60/499153360.db2.gz LWKIOVHFKAZORG-MAUKXSAKSA-N 2 1 360.527 3.267 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000367337145 499183602 /nfs/dbraw/zinc/18/36/02/499183602.db2.gz XPFHWEDEONJCJD-AVRDEDQJSA-N 2 1 370.493 3.461 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000367337145 499183603 /nfs/dbraw/zinc/18/36/03/499183603.db2.gz XPFHWEDEONJCJD-AVRDEDQJSA-N 2 1 370.493 3.461 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367621764 499218938 /nfs/dbraw/zinc/21/89/38/499218938.db2.gz TVTKLVMMYUSSCN-UXLLHSPISA-N 2 1 365.905 3.140 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1F ZINC000370574278 499232858 /nfs/dbraw/zinc/23/28/58/499232858.db2.gz SPLLQNKLRFLOAV-WXSAJPJJSA-N 2 1 350.478 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236029 /nfs/dbraw/zinc/23/60/29/499236029.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236031 /nfs/dbraw/zinc/23/60/31/499236031.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236033 /nfs/dbraw/zinc/23/60/33/499236033.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236035 /nfs/dbraw/zinc/23/60/35/499236035.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)[C@@H](C)C1 ZINC000370620192 499236037 /nfs/dbraw/zinc/23/60/37/499236037.db2.gz MHIMCYVKNPKATC-XODARUQUSA-N 2 1 359.558 3.398 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000370633721 499237868 /nfs/dbraw/zinc/23/78/68/499237868.db2.gz IDFVMOGCBPGUTM-OAHLLOKOSA-N 2 1 374.916 3.375 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368165087 499270453 /nfs/dbraw/zinc/27/04/53/499270453.db2.gz ONZYVNXVNICSGM-WOJBJXKFSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(F)cc1 ZINC000368165087 499270455 /nfs/dbraw/zinc/27/04/55/499270455.db2.gz ONZYVNXVNICSGM-WOJBJXKFSA-N 2 1 355.457 3.063 20 0 FGADMP CCCN(CCC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371074646 499286196 /nfs/dbraw/zinc/28/61/96/499286196.db2.gz ORKSXXICNBXEND-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cc4ccccc4o3)CC2)CC1 ZINC000371094311 499287867 /nfs/dbraw/zinc/28/78/67/499287867.db2.gz PDTIHLYNQUFSJL-UHFFFAOYSA-N 2 1 369.509 3.359 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416544 499293594 /nfs/dbraw/zinc/29/35/94/499293594.db2.gz LCVJIPYZYFALIL-UIAACRFSSA-N 2 1 373.472 3.460 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@H]1c1ccccc1 ZINC000371329802 499310954 /nfs/dbraw/zinc/31/09/54/499310954.db2.gz NVUYIDQUZONUSP-WIYYLYMNSA-N 2 1 367.493 3.167 20 0 FGADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000371371629 499316205 /nfs/dbraw/zinc/31/62/05/499316205.db2.gz CNKRWLSGKKTMFQ-UHFFFAOYSA-N 2 1 355.482 3.276 20 0 FGADMP Cc1cccc(-c2nnc([C@@H](C)N(C)CCN(C)C3CC[NH+](C)CC3)o2)c1 ZINC000371426501 499325266 /nfs/dbraw/zinc/32/52/66/499325266.db2.gz PUGUTSBZUNYUCU-QGZVFWFLSA-N 2 1 371.529 3.064 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cnn(C)c1)c1ccc(F)c(Cl)c1 ZINC000368791088 499333046 /nfs/dbraw/zinc/33/30/46/499333046.db2.gz JZQVPIKNKVVBPF-SFHVURJKSA-N 2 1 361.852 3.487 20 0 FGADMP C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000371489993 499333619 /nfs/dbraw/zinc/33/36/19/499333619.db2.gz UGRQWPFNLMWDSF-XZOQPEGZSA-N 2 1 364.537 3.253 20 0 FGADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnc(C(F)(F)F)s3)C2)nc(C)[nH+]1 ZINC000368911017 499345559 /nfs/dbraw/zinc/34/55/59/499345559.db2.gz AQPPDMRIOFFRAP-GFCCVEGCSA-N 2 1 371.432 3.327 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000371762621 499362857 /nfs/dbraw/zinc/36/28/57/499362857.db2.gz MMGMBTPDIPGFSP-MJGOQNOKSA-N 2 1 357.523 3.233 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369200004 499376572 /nfs/dbraw/zinc/37/65/72/499376572.db2.gz CHIXCMPFTAGIRJ-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000371985858 499387170 /nfs/dbraw/zinc/38/71/70/499387170.db2.gz WLPIAARBINHVOX-JSFADZTLSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000371985858 499387171 /nfs/dbraw/zinc/38/71/71/499387171.db2.gz WLPIAARBINHVOX-JSFADZTLSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000371985858 499387173 /nfs/dbraw/zinc/38/71/73/499387173.db2.gz WLPIAARBINHVOX-JSFADZTLSA-N 2 1 362.514 3.244 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2N2CCOCC2)cc1 ZINC000372060896 499394689 /nfs/dbraw/zinc/39/46/89/499394689.db2.gz MXWYJXHRRLAVTB-XJABCFGWSA-N 2 1 368.525 3.332 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000372193914 499407323 /nfs/dbraw/zinc/40/73/23/499407323.db2.gz SNLMEPUWDRNIBT-MRXNPFEDSA-N 2 1 354.458 3.060 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(-c2cnn(C)c2)no1 ZINC000372193914 499407325 /nfs/dbraw/zinc/40/73/25/499407325.db2.gz SNLMEPUWDRNIBT-MRXNPFEDSA-N 2 1 354.458 3.060 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)C1 ZINC000369514115 499410861 /nfs/dbraw/zinc/41/08/61/499410861.db2.gz XRSBJGHMILIIBM-ZWKOTPCHSA-N 2 1 361.534 3.085 20 0 FGADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515171 499411327 /nfs/dbraw/zinc/41/13/27/499411327.db2.gz HQMUKSDWYZBQPU-SUMDDJOVSA-N 2 1 374.554 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000369515171 499411329 /nfs/dbraw/zinc/41/13/29/499411329.db2.gz HQMUKSDWYZBQPU-SUMDDJOVSA-N 2 1 374.554 3.128 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373176488 499455684 /nfs/dbraw/zinc/45/56/84/499455684.db2.gz LQJLLAZFMVCUJI-FQEVSTJZSA-N 2 1 359.558 3.173 20 0 FGADMP CC(C)c1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373447179 499470183 /nfs/dbraw/zinc/47/01/83/499470183.db2.gz HWLOFYUNZHMREX-CMKODMSKSA-N 2 1 373.541 3.228 20 0 FGADMP Cc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000373517799 499474567 /nfs/dbraw/zinc/47/45/67/499474567.db2.gz BBYQGJJZPPBICY-XVAXZDLZSA-N 2 1 353.514 3.324 20 0 FGADMP C(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274988 499502071 /nfs/dbraw/zinc/50/20/71/499502071.db2.gz BUKIUBQVARXNJC-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274988 499502073 /nfs/dbraw/zinc/50/20/73/499502073.db2.gz BUKIUBQVARXNJC-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(CC[NH+]1CC[C@@]2(C1)CCCOC2)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274988 499502074 /nfs/dbraw/zinc/50/20/74/499502074.db2.gz BUKIUBQVARXNJC-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP Cc1cnccc1NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000378358555 499506376 /nfs/dbraw/zinc/50/63/76/499506376.db2.gz ZYRLADNQHSVYTL-JOCHJYFZSA-N 2 1 364.493 3.332 20 0 FGADMP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490304 499523831 /nfs/dbraw/zinc/52/38/31/499523831.db2.gz DKZLRKBMFZJVCE-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1C ZINC000378514988 499526452 /nfs/dbraw/zinc/52/64/52/499526452.db2.gz GDYCXHXQWCGSAC-BHIYHBOVSA-N 2 1 372.557 3.434 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1C ZINC000378514988 499526453 /nfs/dbraw/zinc/52/64/53/499526453.db2.gz GDYCXHXQWCGSAC-BHIYHBOVSA-N 2 1 372.557 3.434 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518737 499527002 /nfs/dbraw/zinc/52/70/02/499527002.db2.gz LIYLYDFOVNQWOC-HKUYNNGSSA-N 2 1 372.557 3.293 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518737 499527005 /nfs/dbraw/zinc/52/70/05/499527005.db2.gz LIYLYDFOVNQWOC-HKUYNNGSSA-N 2 1 372.557 3.293 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000382683135 499545769 /nfs/dbraw/zinc/54/57/69/499545769.db2.gz DCWPGLQAMCKKRB-IFMALSPDSA-N 2 1 365.521 3.447 20 0 FGADMP C[C@@]1(CNC(=O)C2CC[NH+](C3CC3)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000375723823 499549110 /nfs/dbraw/zinc/54/91/10/499549110.db2.gz HTBRFAGSKQPBAB-QFIPXVFZSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389156285 499552372 /nfs/dbraw/zinc/55/23/72/499552372.db2.gz YCCWBMHZSDKDEC-CEWLAPEOSA-N 2 1 358.526 3.215 20 0 FGADMP C[N@@H+](CCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394164044 499561253 /nfs/dbraw/zinc/56/12/53/499561253.db2.gz NWDYYSPFSFIYGN-XYPWUTKMSA-N 2 1 353.304 3.385 20 0 FGADMP C[NH+](CCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394164044 499561255 /nfs/dbraw/zinc/56/12/55/499561255.db2.gz NWDYYSPFSFIYGN-XYPWUTKMSA-N 2 1 353.304 3.385 20 0 FGADMP C[NH+](CCOc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394164044 499561256 /nfs/dbraw/zinc/56/12/56/499561256.db2.gz NWDYYSPFSFIYGN-XYPWUTKMSA-N 2 1 353.304 3.385 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC1 ZINC000375842520 499561356 /nfs/dbraw/zinc/56/13/56/499561356.db2.gz VWXWGYZSQZPVOW-CBNMVNINSA-N 2 1 369.484 3.385 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000375893161 499565749 /nfs/dbraw/zinc/56/57/49/499565749.db2.gz XHVPSISNKNSDLI-SFHVURJKSA-N 2 1 372.944 3.489 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000398076360 499566441 /nfs/dbraw/zinc/56/64/41/499566441.db2.gz QSXUHKGIOVVICX-KOUHRCEDSA-N 2 1 357.542 3.039 20 0 FGADMP COc1cccc(-c2noc(CN[C@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000376305817 499599152 /nfs/dbraw/zinc/59/91/52/499599152.db2.gz KHSTVKCNQCXRKY-NVXWUHKLSA-N 2 1 370.497 3.488 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CCC(O)(c3cccc(Cl)c3)CC2)CC1 ZINC000376364623 499603208 /nfs/dbraw/zinc/60/32/08/499603208.db2.gz CAGAOZUDZLZRCX-UHFFFAOYSA-N 2 1 366.933 3.171 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176189 506151776 /nfs/dbraw/zinc/15/17/76/506151776.db2.gz HCINFNRCZSOSOS-QZTJIDSGSA-N 2 1 359.514 3.009 20 0 FGADMP C[C@@H]1COCC[N@@H+]1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408263 506151920 /nfs/dbraw/zinc/15/19/20/506151920.db2.gz AZIVFAMEGVGJHF-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@@H]1COCC[N@H+]1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408263 506151924 /nfs/dbraw/zinc/15/19/24/506151924.db2.gz AZIVFAMEGVGJHF-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000376900694 499644810 /nfs/dbraw/zinc/64/48/10/499644810.db2.gz AEQXMEIQLKIHKP-UHFFFAOYSA-N 2 1 354.542 3.263 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCn3c(cc4ccccc43)C2)CC1 ZINC000376900694 499644811 /nfs/dbraw/zinc/64/48/11/499644811.db2.gz AEQXMEIQLKIHKP-UHFFFAOYSA-N 2 1 354.542 3.263 20 0 FGADMP C[N@H+](CC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)Cc1ccccc1 ZINC000410292456 499653206 /nfs/dbraw/zinc/65/32/06/499653206.db2.gz ILYYHDHSJKQFJF-LJQANCHMSA-N 2 1 366.509 3.057 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@@H](c2ncc3n2CCCC3)C1)Cc1ccccc1 ZINC000410292456 499653208 /nfs/dbraw/zinc/65/32/08/499653208.db2.gz ILYYHDHSJKQFJF-LJQANCHMSA-N 2 1 366.509 3.057 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000410345270 499656285 /nfs/dbraw/zinc/65/62/85/499656285.db2.gz PNTPAZBOLOAZDO-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680463 499719017 /nfs/dbraw/zinc/71/90/17/499719017.db2.gz QCXGNGXFBYIGCV-IIBYNOLFSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680463 499719018 /nfs/dbraw/zinc/71/90/18/499719018.db2.gz QCXGNGXFBYIGCV-IIBYNOLFSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680463 499719019 /nfs/dbraw/zinc/71/90/19/499719019.db2.gz QCXGNGXFBYIGCV-IIBYNOLFSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1 ZINC000377704079 499722469 /nfs/dbraw/zinc/72/24/69/499722469.db2.gz VTMQCQWGUQEZIA-ZJQURUERSA-N 2 1 369.509 3.494 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)cc1 ZINC000377704079 499722470 /nfs/dbraw/zinc/72/24/70/499722470.db2.gz VTMQCQWGUQEZIA-ZJQURUERSA-N 2 1 369.509 3.494 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000411306026 499724217 /nfs/dbraw/zinc/72/42/17/499724217.db2.gz KRPNSAGLYVMYBB-QFIPXVFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000411306026 499724218 /nfs/dbraw/zinc/72/42/18/499724218.db2.gz KRPNSAGLYVMYBB-QFIPXVFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCNC(=O)CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000411306026 499724219 /nfs/dbraw/zinc/72/42/19/499724219.db2.gz KRPNSAGLYVMYBB-QFIPXVFZSA-N 2 1 357.542 3.281 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377718974 499724692 /nfs/dbraw/zinc/72/46/92/499724692.db2.gz JYKQODDBQYUQSR-MAUKXSAKSA-N 2 1 362.481 3.324 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000377718974 499724693 /nfs/dbraw/zinc/72/46/93/499724693.db2.gz JYKQODDBQYUQSR-MAUKXSAKSA-N 2 1 362.481 3.324 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377718975 499724702 /nfs/dbraw/zinc/72/47/02/499724702.db2.gz JYKQODDBQYUQSR-QAPCUYQASA-N 2 1 362.481 3.324 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377718975 499724703 /nfs/dbraw/zinc/72/47/03/499724703.db2.gz JYKQODDBQYUQSR-QAPCUYQASA-N 2 1 362.481 3.324 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377805789 499737123 /nfs/dbraw/zinc/73/71/23/499737123.db2.gz XWIQPELNMHJUOG-WDYCEAGBSA-N 2 1 367.493 3.051 20 0 FGADMP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccc(F)cc1F ZINC000411470487 499744760 /nfs/dbraw/zinc/74/47/60/499744760.db2.gz CFDCITJUCSCBDT-LJQANCHMSA-N 2 1 367.484 3.385 20 0 FGADMP CC(=O)Nc1ccc(C[N@H+](C)C2CCN(CCc3ccncc3)CC2)cc1 ZINC000377924722 499748462 /nfs/dbraw/zinc/74/84/62/499748462.db2.gz SLDZVWZYYCKNKE-UHFFFAOYSA-N 2 1 366.509 3.179 20 0 FGADMP CC(=O)Nc1ccc(C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377924722 499748463 /nfs/dbraw/zinc/74/84/63/499748463.db2.gz SLDZVWZYYCKNKE-UHFFFAOYSA-N 2 1 366.509 3.179 20 0 FGADMP CC(=O)Nc1ccc(C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000377924722 499748464 /nfs/dbraw/zinc/74/84/64/499748464.db2.gz SLDZVWZYYCKNKE-UHFFFAOYSA-N 2 1 366.509 3.179 20 0 FGADMP CCC[C@@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377992050 499754144 /nfs/dbraw/zinc/75/41/44/499754144.db2.gz BWVSVFJVQCVTSI-GOSISDBHSA-N 2 1 351.579 3.467 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000414130205 499762910 /nfs/dbraw/zinc/76/29/10/499762910.db2.gz WASAOJMSDYCMPB-OAHLLOKOSA-N 2 1 372.513 3.128 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000414140712 499763712 /nfs/dbraw/zinc/76/37/12/499763712.db2.gz HZWRNONRFKZYLD-ATZDWAIDSA-N 2 1 363.521 3.444 20 0 FGADMP CCOC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258375 499772052 /nfs/dbraw/zinc/77/20/52/499772052.db2.gz GAEGHCSCWBLRKT-GXRSIYKFSA-N 2 1 360.542 3.318 20 0 FGADMP CCOC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258375 499772054 /nfs/dbraw/zinc/77/20/54/499772054.db2.gz GAEGHCSCWBLRKT-GXRSIYKFSA-N 2 1 360.542 3.318 20 0 FGADMP Cc1ccc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)nn1 ZINC000414365699 499781638 /nfs/dbraw/zinc/78/16/38/499781638.db2.gz NATNUKXEUFYWEU-HDICACEKSA-N 2 1 368.525 3.084 20 0 FGADMP CCN1C[C@@H](C)[N@@H+](CC[C@H](C)CC[NH+]2[C@@H](C)CN(CC)C[C@@H]2C)[C@@H](C)C1 ZINC000411726758 499783711 /nfs/dbraw/zinc/78/37/11/499783711.db2.gz ZBYUDFPQVAXQHU-CUUWFGFTSA-N 2 1 366.638 3.232 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414407015 499787794 /nfs/dbraw/zinc/78/77/94/499787794.db2.gz JXULLVCFYCSLMA-NRFANRHFSA-N 2 1 374.504 3.253 20 0 FGADMP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779476 499789834 /nfs/dbraw/zinc/78/98/34/499789834.db2.gz CVSNTKMZHRGPHT-BDTNDASRSA-N 2 1 358.526 3.034 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1sc(C)nc1C ZINC000414525500 499803123 /nfs/dbraw/zinc/80/31/23/499803123.db2.gz IZWRPTODUKVBHN-RTBURBONSA-N 2 1 359.539 3.387 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1sc(C)nc1C ZINC000414525500 499803124 /nfs/dbraw/zinc/80/31/24/499803124.db2.gz IZWRPTODUKVBHN-RTBURBONSA-N 2 1 359.539 3.387 20 0 FGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)C1 ZINC000414662130 499818012 /nfs/dbraw/zinc/81/80/12/499818012.db2.gz YQJTVXDWAUVIPA-YPMHNXCESA-N 2 1 356.310 3.339 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CC[NH2+]C[C@H]2c2cccc(Cl)c2)s1 ZINC000414744469 499825864 /nfs/dbraw/zinc/82/58/64/499825864.db2.gz WDLODDXWNKJYAB-INIZCTEOSA-N 2 1 350.919 3.005 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412135562 499826643 /nfs/dbraw/zinc/82/66/43/499826643.db2.gz SULFPQSMPNKNAQ-UHFFFAOYSA-N 2 1 354.498 3.388 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cs1 ZINC000414772345 499829389 /nfs/dbraw/zinc/82/93/89/499829389.db2.gz UCRQJXFHKKGPFA-HDICACEKSA-N 2 1 357.523 3.462 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777866 499829855 /nfs/dbraw/zinc/82/98/55/499829855.db2.gz INXVTPIHTLAQMO-GJZGRUSLSA-N 2 1 350.528 3.247 20 0 FGADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784557 499830746 /nfs/dbraw/zinc/83/07/46/499830746.db2.gz ILWYTSJHNRAAFJ-GOSISDBHSA-N 2 1 362.514 3.061 20 0 FGADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000414839295 499836389 /nfs/dbraw/zinc/83/63/89/499836389.db2.gz MDNNIBQSUPPKBK-LBPRGKRZSA-N 2 1 365.319 3.197 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000414886222 499841661 /nfs/dbraw/zinc/84/16/61/499841661.db2.gz VPXHKGHEUUGAGM-YTFSRNRJSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000414886222 499841664 /nfs/dbraw/zinc/84/16/64/499841664.db2.gz VPXHKGHEUUGAGM-YTFSRNRJSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000414886222 499841666 /nfs/dbraw/zinc/84/16/66/499841666.db2.gz VPXHKGHEUUGAGM-YTFSRNRJSA-N 2 1 364.537 3.062 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]([NH3+])C4CC4)cc3)nc12 ZINC000414892888 499842328 /nfs/dbraw/zinc/84/23/28/499842328.db2.gz QHKDBNOSWLBXDY-HXUWFJFHSA-N 2 1 350.466 3.049 20 0 FGADMP [NH3+][C@H](C[NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC1 ZINC000414893104 499842475 /nfs/dbraw/zinc/84/24/75/499842475.db2.gz REJMIKGOOPIXNN-LLVKDONJSA-N 2 1 353.182 3.175 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414907500 499843669 /nfs/dbraw/zinc/84/36/69/499843669.db2.gz QQRYYCIHALTRLB-MAUKXSAKSA-N 2 1 355.486 3.174 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414936095 499846411 /nfs/dbraw/zinc/84/64/11/499846411.db2.gz BGLXTZMIIUEXGB-SWLSCSKDSA-N 2 1 371.319 3.334 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc(Br)c1OC ZINC000414967818 499849863 /nfs/dbraw/zinc/84/98/63/499849863.db2.gz HPMSYXFNQWKBJV-OAHLLOKOSA-N 2 1 371.319 3.334 20 0 FGADMP Cc1nc(COc2ccc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)cc2)cs1 ZINC000414991716 499852337 /nfs/dbraw/zinc/85/23/37/499852337.db2.gz AUZFETSQERAFQT-OAHLLOKOSA-N 2 1 367.465 3.365 20 0 FGADMP Cc1ccc(-c2nn(-c3ccc(F)cc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415036727 499856916 /nfs/dbraw/zinc/85/69/16/499856916.db2.gz LZYPKWNAJOKTMP-XVAYZXCPSA-N 2 1 362.452 3.294 20 0 FGADMP Fc1ccccc1-c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000415062101 499859907 /nfs/dbraw/zinc/85/99/07/499859907.db2.gz ZPTUIRUQSAWPEW-UHFFFAOYSA-N 2 1 357.473 3.392 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000415116601 499865703 /nfs/dbraw/zinc/86/57/03/499865703.db2.gz BRKFZIXOBXFARS-DOTOQJQBSA-N 2 1 371.294 3.307 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC000415134172 499868835 /nfs/dbraw/zinc/86/88/35/499868835.db2.gz VRSASPOWHTVGED-QFBILLFUSA-N 2 1 367.493 3.364 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415885695 499924311 /nfs/dbraw/zinc/92/43/11/499924311.db2.gz SLXUTBYGMJMVSO-UHFFFAOYSA-N 2 1 366.509 3.494 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415886441 499924477 /nfs/dbraw/zinc/92/44/77/499924477.db2.gz UXWLBMUGRYFCOJ-ROUUACIJSA-N 2 1 370.541 3.451 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000415923604 499929186 /nfs/dbraw/zinc/92/91/86/499929186.db2.gz WUOPSDRQCXMSID-FQEVSTJZSA-N 2 1 352.482 3.192 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930520 499929662 /nfs/dbraw/zinc/92/96/62/499929662.db2.gz ABVHZNXHHFOCDZ-ZWKOTPCHSA-N 2 1 374.529 3.142 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000415933288 499930299 /nfs/dbraw/zinc/93/02/99/499930299.db2.gz PKLKUXPNACMQEE-UXHICEINSA-N 2 1 352.482 3.363 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000415937533 499930625 /nfs/dbraw/zinc/93/06/25/499930625.db2.gz WYTVVCUBNGINQX-UHFFFAOYSA-N 2 1 352.482 3.144 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415936893 499930631 /nfs/dbraw/zinc/93/06/31/499930631.db2.gz XHLIDDVYFURTTH-LJQANCHMSA-N 2 1 366.509 3.440 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415946135 499931889 /nfs/dbraw/zinc/93/18/89/499931889.db2.gz SSQNOPIOOZKDAT-KRWDZBQOSA-N 2 1 354.498 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415968691 499935342 /nfs/dbraw/zinc/93/53/42/499935342.db2.gz XYUDGRVFTNEWFK-IBGZPJMESA-N 2 1 352.482 3.050 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000415971446 499935579 /nfs/dbraw/zinc/93/55/79/499935579.db2.gz JTQFEPUSQVFYAB-CALCHBBNSA-N 2 1 374.529 3.048 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000415974189 499935828 /nfs/dbraw/zinc/93/58/28/499935828.db2.gz QERVMCLSMOGZHF-OXQOHEQNSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415973116 499936018 /nfs/dbraw/zinc/93/60/18/499936018.db2.gz NTGVLCNOJDDPFC-OXQOHEQNSA-N 2 1 352.482 3.191 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415973570 499936044 /nfs/dbraw/zinc/93/60/44/499936044.db2.gz QULVYNFBWCJHQS-HNNXBMFYSA-N 2 1 358.408 3.160 20 0 FGADMP CC[C@H](CNC(=O)Nc1ccc(C[NH2+]C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000415982139 499937143 /nfs/dbraw/zinc/93/71/43/499937143.db2.gz DHMPRMWXNJYSDS-OAQYLSRUSA-N 2 1 366.509 3.364 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000416121643 499950266 /nfs/dbraw/zinc/95/02/66/499950266.db2.gz HFALVTUXYJWECH-VQTJNVASSA-N 2 1 369.509 3.107 20 0 FGADMP COc1cc(Br)ccc1CCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000429025427 499987090 /nfs/dbraw/zinc/98/70/90/499987090.db2.gz YPUKBSFBNGLAHM-SFHVURJKSA-N 2 1 367.331 3.418 20 0 FGADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000429025427 499987091 /nfs/dbraw/zinc/98/70/91/499987091.db2.gz YPUKBSFBNGLAHM-SFHVURJKSA-N 2 1 367.331 3.418 20 0 FGADMP COc1cc(Br)ccc1CCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429025427 499987093 /nfs/dbraw/zinc/98/70/93/499987093.db2.gz YPUKBSFBNGLAHM-SFHVURJKSA-N 2 1 367.331 3.418 20 0 FGADMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041065 499993028 /nfs/dbraw/zinc/99/30/28/499993028.db2.gz OAPKXHFFMRQYBG-GMAHTHKFSA-N 2 1 366.505 3.121 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041065 499993031 /nfs/dbraw/zinc/99/30/31/499993031.db2.gz OAPKXHFFMRQYBG-GMAHTHKFSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041065 499993033 /nfs/dbraw/zinc/99/30/33/499993033.db2.gz OAPKXHFFMRQYBG-GMAHTHKFSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041065 499993037 /nfs/dbraw/zinc/99/30/37/499993037.db2.gz OAPKXHFFMRQYBG-GMAHTHKFSA-N 2 1 366.505 3.121 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1O ZINC000576482163 506169447 /nfs/dbraw/zinc/16/94/47/506169447.db2.gz CLZNWBNEWKLZOS-ZDUSSCGKSA-N 2 1 371.319 3.373 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(Br)c1O ZINC000576482163 506169450 /nfs/dbraw/zinc/16/94/50/506169450.db2.gz CLZNWBNEWKLZOS-ZDUSSCGKSA-N 2 1 371.319 3.373 20 0 FGADMP CCc1cc(OC)ccc1C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000421380484 500032775 /nfs/dbraw/zinc/03/27/75/500032775.db2.gz VWCFBAVJNPLZQO-UHFFFAOYSA-N 2 1 359.558 3.250 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386071 500035306 /nfs/dbraw/zinc/03/53/06/500035306.db2.gz RFHNRYPTMCOGQM-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386071 500035309 /nfs/dbraw/zinc/03/53/09/500035309.db2.gz RFHNRYPTMCOGQM-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386071 500035312 /nfs/dbraw/zinc/03/53/12/500035312.db2.gz RFHNRYPTMCOGQM-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421386071 500035313 /nfs/dbraw/zinc/03/53/13/500035313.db2.gz RFHNRYPTMCOGQM-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417385296 500056342 /nfs/dbraw/zinc/05/63/42/500056342.db2.gz LYROTRDAGPGRGY-FUMNGEBKSA-N 2 1 363.496 3.216 20 0 FGADMP COC(=O)[C@@H](CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000425391579 500092822 /nfs/dbraw/zinc/09/28/22/500092822.db2.gz DRNCVDMWRFZMPZ-IBGZPJMESA-N 2 1 355.482 3.022 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417586152 500117888 /nfs/dbraw/zinc/11/78/88/500117888.db2.gz QGHWMBXGKZCEHW-OTYNDTSQSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000417587097 500118872 /nfs/dbraw/zinc/11/88/72/500118872.db2.gz NMXBFGLSMTYBPZ-SJORKVTESA-N 2 1 354.498 3.026 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCN(C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124545 /nfs/dbraw/zinc/12/45/45/500124545.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CCN(CC[NH+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124548 /nfs/dbraw/zinc/12/45/48/500124548.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CCN(CC[NH+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124556 /nfs/dbraw/zinc/12/45/56/500124556.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[NH+](CCC2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124562 /nfs/dbraw/zinc/12/45/62/500124562.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 2 1 373.585 3.330 20 0 FGADMP C[C@@H]1C[NH+](CCC2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686532 500124564 /nfs/dbraw/zinc/12/45/64/500124564.db2.gz ZPPZNSFGOQLHSZ-OYRHEFFESA-N 2 1 373.585 3.330 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000429698906 500125845 /nfs/dbraw/zinc/12/58/45/500125845.db2.gz OJMROYATHLNMKE-FCHUYYIVSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429698906 500125846 /nfs/dbraw/zinc/12/58/46/500125846.db2.gz OJMROYATHLNMKE-FCHUYYIVSA-N 2 1 359.558 3.084 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000429698906 500125851 /nfs/dbraw/zinc/12/58/51/500125851.db2.gz OJMROYATHLNMKE-FCHUYYIVSA-N 2 1 359.558 3.084 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000414064447 500142907 /nfs/dbraw/zinc/14/29/07/500142907.db2.gz FUIMQEISFHIKAY-MSOLQXFVSA-N 2 1 369.509 3.032 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000414064447 500142912 /nfs/dbraw/zinc/14/29/12/500142912.db2.gz FUIMQEISFHIKAY-MSOLQXFVSA-N 2 1 369.509 3.032 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@H]1CC1(C)C ZINC000414065192 500142922 /nfs/dbraw/zinc/14/29/22/500142922.db2.gz GTXQGZAFTDTXBU-UXHICEINSA-N 2 1 373.541 3.262 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552963 500143742 /nfs/dbraw/zinc/14/37/42/500143742.db2.gz LNGUYNOMOHZUJR-JOCHJYFZSA-N 2 1 370.537 3.300 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425552963 500143747 /nfs/dbraw/zinc/14/37/47/500143747.db2.gz LNGUYNOMOHZUJR-JOCHJYFZSA-N 2 1 370.537 3.300 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000414104458 500154370 /nfs/dbraw/zinc/15/43/70/500154370.db2.gz FVXCVJRGMUYHKC-XLIONFOSSA-N 2 1 354.494 3.421 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000416974431 500172021 /nfs/dbraw/zinc/17/20/21/500172021.db2.gz LJODBSHUVURITF-FUHIMQAGSA-N 2 1 358.530 3.001 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000417852807 500184292 /nfs/dbraw/zinc/18/42/92/500184292.db2.gz HKSFVDASVUBOSA-AUUYWEPGSA-N 2 1 355.486 3.058 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918764 500197764 /nfs/dbraw/zinc/19/77/64/500197764.db2.gz YJOHCXKEWGUUJJ-UYAOXDASSA-N 2 1 360.546 3.134 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000417927777 500199662 /nfs/dbraw/zinc/19/96/62/500199662.db2.gz QLFMTSCDDJXAEK-YFVAEKQCSA-N 2 1 372.557 3.104 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417977418 500207883 /nfs/dbraw/zinc/20/78/83/500207883.db2.gz BUGMPEKMEVRCCD-RRQGHBQHSA-N 2 1 370.900 3.039 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417977418 500207887 /nfs/dbraw/zinc/20/78/87/500207887.db2.gz BUGMPEKMEVRCCD-RRQGHBQHSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417984128 500209362 /nfs/dbraw/zinc/20/93/62/500209362.db2.gz OMGCILFJCWKMGD-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983786 500209588 /nfs/dbraw/zinc/20/95/88/500209588.db2.gz CPRAXSFFPLJQRX-IUIKQTSFSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983786 500209590 /nfs/dbraw/zinc/20/95/90/500209590.db2.gz CPRAXSFFPLJQRX-IUIKQTSFSA-N 2 1 370.900 3.039 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)c2)CC1 ZINC000425925304 500212388 /nfs/dbraw/zinc/21/23/88/500212388.db2.gz QQLFNIXCBJMUAW-OAQYLSRUSA-N 2 1 355.526 3.162 20 0 FGADMP COCC[C@H](c1ccccc1)[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958032 500216834 /nfs/dbraw/zinc/21/68/34/500216834.db2.gz LGNUBGRHKVZNIH-DHIUTWEWSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@H](c1ccccc1)[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425958032 500216837 /nfs/dbraw/zinc/21/68/37/500216837.db2.gz LGNUBGRHKVZNIH-DHIUTWEWSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425958032 500216842 /nfs/dbraw/zinc/21/68/42/500216842.db2.gz LGNUBGRHKVZNIH-DHIUTWEWSA-N 2 1 368.521 3.333 20 0 FGADMP COCC[C@H](c1ccccc1)[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425958032 500216844 /nfs/dbraw/zinc/21/68/44/500216844.db2.gz LGNUBGRHKVZNIH-DHIUTWEWSA-N 2 1 368.521 3.333 20 0 FGADMP C[C@@]1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC[N@H+]1Cc1ccccc1 ZINC000418044850 500220103 /nfs/dbraw/zinc/22/01/03/500220103.db2.gz NLHJKCYDZORMOV-IRLDBZIGSA-N 2 1 366.509 3.040 20 0 FGADMP C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1I ZINC000418064843 500224460 /nfs/dbraw/zinc/22/44/60/500224460.db2.gz JAZADOQZTXWPHV-UHFFFAOYSA-N 2 1 373.213 3.149 20 0 FGADMP C[N@@H+](CCCn1ccnc1)Cc1ccc(F)cc1I ZINC000418064843 500224463 /nfs/dbraw/zinc/22/44/63/500224463.db2.gz JAZADOQZTXWPHV-UHFFFAOYSA-N 2 1 373.213 3.149 20 0 FGADMP CCCN(C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418130226 500234479 /nfs/dbraw/zinc/23/44/79/500234479.db2.gz BVYSCYHPLVWGJT-NRFANRHFSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(Cl)ccc1Cl ZINC000426145489 500240871 /nfs/dbraw/zinc/24/08/71/500240871.db2.gz KISVJMCEQFZQBZ-LBPRGKRZSA-N 2 1 370.324 3.387 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCC1 ZINC000418246809 500255483 /nfs/dbraw/zinc/25/54/83/500255483.db2.gz QDBIUPAKCNUWNO-HXUWFJFHSA-N 2 1 366.509 3.040 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C(C)C ZINC000582319208 506185642 /nfs/dbraw/zinc/18/56/42/506185642.db2.gz JREHDZFXAJIVEK-ICSRJNTNSA-N 2 1 360.546 3.067 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000418325643 500262623 /nfs/dbraw/zinc/26/26/23/500262623.db2.gz JKKXGOQLYHJPQB-DBVUQKKJSA-N 2 1 360.546 3.182 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418345469 500265785 /nfs/dbraw/zinc/26/57/85/500265785.db2.gz HAPBJPOWGLOZPS-XNMUZJSGSA-N 2 1 358.530 3.076 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000422704683 500287582 /nfs/dbraw/zinc/28/75/82/500287582.db2.gz QFZSTNJQOSLAFP-AVRDEDQJSA-N 2 1 351.538 3.371 20 0 FGADMP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418526427 500287627 /nfs/dbraw/zinc/28/76/27/500287627.db2.gz ZTAODMXVQWDQBF-UYAOXDASSA-N 2 1 372.557 3.243 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1)CC(C)C ZINC000418538546 500288933 /nfs/dbraw/zinc/28/89/33/500288933.db2.gz KZYWCBKJAVFAPN-OAQYLSRUSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)c1c[nH+]ccc1N ZINC000422715224 500289400 /nfs/dbraw/zinc/28/94/00/500289400.db2.gz RTNYIUOSQCAMML-STQMWFEESA-N 2 1 361.287 3.186 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418550147 500290590 /nfs/dbraw/zinc/29/05/90/500290590.db2.gz TUSBAQNTXQMWRW-CBQOVEMMSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@@H](NCC[N@@H+](C)Cc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422769118 500296063 /nfs/dbraw/zinc/29/60/63/500296063.db2.gz UMOXGNDWYMCAFS-FCHUYYIVSA-N 2 1 353.510 3.210 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1)CC1CC1 ZINC000418615958 500297028 /nfs/dbraw/zinc/29/70/28/500297028.db2.gz HPUMAAJDFSLCNZ-HXUWFJFHSA-N 2 1 364.578 3.048 20 0 FGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802660 500299809 /nfs/dbraw/zinc/29/98/09/500299809.db2.gz HTNKYUIAFHQWSD-RJGXRXQPSA-N 2 1 371.569 3.165 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)C1 ZINC000418643133 500300071 /nfs/dbraw/zinc/30/00/71/500300071.db2.gz BEQALWAUVALZOU-IEBWSBKVSA-N 2 1 369.513 3.054 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422823605 500302700 /nfs/dbraw/zinc/30/27/00/500302700.db2.gz LWNAQQALUWBHKN-GFCCVEGCSA-N 2 1 362.861 3.144 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000422837100 500303967 /nfs/dbraw/zinc/30/39/67/500303967.db2.gz LJKZHGXWWKAICH-NRJQMVOHSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000422837100 500303969 /nfs/dbraw/zinc/30/39/69/500303969.db2.gz LJKZHGXWWKAICH-NRJQMVOHSA-N 3 1 352.526 3.410 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430921156 500307426 /nfs/dbraw/zinc/30/74/26/500307426.db2.gz XGQFZRRRPUTMBA-OLZOCXBDSA-N 2 1 353.894 3.043 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(C[NH3+])nc3C)cc2)CC1 ZINC000422922118 500317173 /nfs/dbraw/zinc/31/71/73/500317173.db2.gz PPTAQBGZEKJJQX-KRWDZBQOSA-N 2 1 367.541 3.159 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422970209 500325520 /nfs/dbraw/zinc/32/55/20/500325520.db2.gz VUYZMWAFMUHIJJ-YTFSRNRJSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422989184 500327895 /nfs/dbraw/zinc/32/78/95/500327895.db2.gz KRKQXWXPILQLMD-OCCSQVGLSA-N 2 1 353.388 3.015 20 0 FGADMP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422988640 500328004 /nfs/dbraw/zinc/32/80/04/500328004.db2.gz JPDOUFZPWSATSD-CHWSQXEVSA-N 2 1 353.388 3.015 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001400 500329718 /nfs/dbraw/zinc/32/97/18/500329718.db2.gz WWWHDVWFTUTNMY-UZKOGDIHSA-N 2 1 357.542 3.200 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001400 500329720 /nfs/dbraw/zinc/32/97/20/500329720.db2.gz WWWHDVWFTUTNMY-UZKOGDIHSA-N 3 1 357.542 3.200 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001400 500329721 /nfs/dbraw/zinc/32/97/21/500329721.db2.gz WWWHDVWFTUTNMY-UZKOGDIHSA-N 3 1 357.542 3.200 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423061446 500336681 /nfs/dbraw/zinc/33/66/81/500336681.db2.gz QRLDPRNHRTXIED-BRWVUGGUSA-N 2 1 353.304 3.004 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423065991 500337361 /nfs/dbraw/zinc/33/73/61/500337361.db2.gz VTRLGRXFOLQCKO-OLZOCXBDSA-N 2 1 350.388 3.442 20 0 FGADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423169431 500350499 /nfs/dbraw/zinc/35/04/99/500350499.db2.gz JRYNAGMIHFRXMR-AEGPPILISA-N 2 1 373.722 3.349 20 0 FGADMP C[N@@H+](CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000423309478 500363210 /nfs/dbraw/zinc/36/32/10/500363210.db2.gz LLODACSTFBEARL-FQEVSTJZSA-N 2 1 353.510 3.351 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000423341421 500365348 /nfs/dbraw/zinc/36/53/48/500365348.db2.gz UJMBWTMJAWCLBQ-YMYKFTITSA-N 2 1 358.526 3.326 20 0 FGADMP Clc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000573426653 506191980 /nfs/dbraw/zinc/19/19/80/506191980.db2.gz ZJGHPRBXMCUNGY-UHFFFAOYSA-N 2 1 366.889 3.003 20 0 FGADMP CCc1cccnc1[C@H](C)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423558064 500384991 /nfs/dbraw/zinc/38/49/91/500384991.db2.gz ITMQMNASPRQSLW-SFHVURJKSA-N 2 1 352.526 3.288 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000427411762 500390811 /nfs/dbraw/zinc/39/08/11/500390811.db2.gz GMIFPPFUUMVMKZ-NRFANRHFSA-N 2 1 370.541 3.091 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423795983 500402546 /nfs/dbraw/zinc/40/25/46/500402546.db2.gz GQROVPFSVBQFDT-HXUWFJFHSA-N 2 1 357.542 3.079 20 0 FGADMP COc1cccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000431655077 500403603 /nfs/dbraw/zinc/40/36/03/500403603.db2.gz WGZZQMFTDMQPJQ-FPOVZHCZSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NCCCCn1cc[nH+]c1C ZINC000431667633 500405723 /nfs/dbraw/zinc/40/57/23/500405723.db2.gz PJMDBQOBMZODMF-MOPGFXCFSA-N 2 1 363.550 3.172 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000431728669 500415947 /nfs/dbraw/zinc/41/59/47/500415947.db2.gz OMWFKBXFTMHYPH-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP C[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911275 500418429 /nfs/dbraw/zinc/41/84/29/500418429.db2.gz VJSVMIJIACYPIQ-TUNNFDKTSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911267 500418596 /nfs/dbraw/zinc/41/85/96/500418596.db2.gz VJSVMIJIACYPIQ-KCZVDYSFSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420297885 500435779 /nfs/dbraw/zinc/43/57/79/500435779.db2.gz DTHKXXYTMPSQRA-MLGOLLRUSA-N 2 1 356.297 3.396 20 0 FGADMP Cn1ccnc1C[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420310103 500439090 /nfs/dbraw/zinc/43/90/90/500439090.db2.gz MBRHNOFAEMYDCX-HOTGVXAUSA-N 2 1 352.473 3.190 20 0 FGADMP O=C([C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330551 500442592 /nfs/dbraw/zinc/44/25/92/500442592.db2.gz AUQXNJFNIZRBCA-HKBOAZHASA-N 2 1 355.526 3.062 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cc(Cl)cc(Cl)c2)CC12CCOCC2 ZINC000420330961 500443096 /nfs/dbraw/zinc/44/30/96/500443096.db2.gz QIXFZOBOTTWBKE-CYBMUJFWSA-N 2 1 359.297 3.060 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376840 500451304 /nfs/dbraw/zinc/45/13/04/500451304.db2.gz APHWOYRDDVZTJX-HSQYWUDLSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376840 500451306 /nfs/dbraw/zinc/45/13/06/500451306.db2.gz APHWOYRDDVZTJX-HSQYWUDLSA-N 2 1 365.521 3.481 20 0 FGADMP Cc1cc(C(C)(C)C)cc(C)c1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420384097 500452823 /nfs/dbraw/zinc/45/28/23/500452823.db2.gz RJMYFUMZXGUFBU-LJQANCHMSA-N 2 1 355.530 3.488 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000420390924 500454170 /nfs/dbraw/zinc/45/41/70/500454170.db2.gz ZZKHHKBGAXLHEY-FXAWDEMLSA-N 2 1 359.445 3.199 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034278 500460971 /nfs/dbraw/zinc/46/09/71/500460971.db2.gz NUVOCRATDJGJLE-UTKZUKDTSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034278 500460973 /nfs/dbraw/zinc/46/09/73/500460973.db2.gz NUVOCRATDJGJLE-UTKZUKDTSA-N 2 1 365.477 3.491 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000424214184 500469809 /nfs/dbraw/zinc/46/98/09/500469809.db2.gz BTVDUSLYEZSZPC-MVWVFHAYSA-N 2 1 363.505 3.055 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275882 500479751 /nfs/dbraw/zinc/47/97/51/500479751.db2.gz CSUPEJJWPCZICK-POHUPDAJSA-N 2 1 358.526 3.071 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275882 500479752 /nfs/dbraw/zinc/47/97/52/500479752.db2.gz CSUPEJJWPCZICK-POHUPDAJSA-N 2 1 358.526 3.071 20 0 FGADMP CC(C)[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285743 500481157 /nfs/dbraw/zinc/48/11/57/500481157.db2.gz GIFMMWCIRHHNJC-OXQOHEQNSA-N 2 1 361.505 3.103 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287640 500481582 /nfs/dbraw/zinc/48/15/82/500481582.db2.gz JIOMECSGSAPMEE-DYESRHJHSA-N 2 1 355.526 3.026 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424302005 500484087 /nfs/dbraw/zinc/48/40/87/500484087.db2.gz YQYYROGSCNCIBN-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424307108 500484535 /nfs/dbraw/zinc/48/45/35/500484535.db2.gz WVSPZFDHBFCKFN-PZJWPPBQSA-N 2 1 355.501 3.322 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424381422 500494528 /nfs/dbraw/zinc/49/45/28/500494528.db2.gz QSXJFMPTURSQAR-CYBMUJFWSA-N 2 1 353.304 3.422 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC000428322453 500495588 /nfs/dbraw/zinc/49/55/88/500495588.db2.gz UENUXJDPLNPIJW-IAGOWNOFSA-N 2 1 371.504 3.478 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424427264 500502308 /nfs/dbraw/zinc/50/23/08/500502308.db2.gz ODRDACABHYDYOI-GOSISDBHSA-N 2 1 352.482 3.097 20 0 FGADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1OC ZINC000432359047 500504298 /nfs/dbraw/zinc/50/42/98/500504298.db2.gz RQAYXYFAICITNJ-OAHLLOKOSA-N 2 1 370.921 3.338 20 0 FGADMP CCOc1c(Cl)cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000432359047 500504301 /nfs/dbraw/zinc/50/43/01/500504301.db2.gz RQAYXYFAICITNJ-OAHLLOKOSA-N 2 1 370.921 3.338 20 0 FGADMP CCCOc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC ZINC000432356314 500504410 /nfs/dbraw/zinc/50/44/10/500504410.db2.gz IIIWFFWVBZADBV-KRWDZBQOSA-N 2 1 350.503 3.075 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@H+]2CCc3ccccc3C2)c1 ZINC000424435432 500504982 /nfs/dbraw/zinc/50/49/82/500504982.db2.gz IJANQMJJSBJABD-UHFFFAOYSA-N 2 1 352.482 3.024 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)c(Br)c2)CCCO1 ZINC000432365162 500505281 /nfs/dbraw/zinc/50/52/81/500505281.db2.gz QVARZJBNBBVQCM-CYBMUJFWSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(Br)c2)CCCO1 ZINC000432365162 500505284 /nfs/dbraw/zinc/50/52/84/500505284.db2.gz QVARZJBNBBVQCM-CYBMUJFWSA-N 2 1 359.283 3.179 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000432425337 500514886 /nfs/dbraw/zinc/51/48/86/500514886.db2.gz MFGLZJRNZOHUKO-KXBFYZLASA-N 2 1 361.486 3.321 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856050 500516453 /nfs/dbraw/zinc/51/64/53/500516453.db2.gz CHFAXSOYKVTFOL-PMACEKPBSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000420856050 500516455 /nfs/dbraw/zinc/51/64/55/500516455.db2.gz CHFAXSOYKVTFOL-PMACEKPBSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000420856050 500516457 /nfs/dbraw/zinc/51/64/57/500516457.db2.gz CHFAXSOYKVTFOL-PMACEKPBSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000420907333 500527753 /nfs/dbraw/zinc/52/77/53/500527753.db2.gz VFNQOEGMUUQAJQ-UHFFFAOYSA-N 2 1 368.477 3.270 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)Cc1ccc2c(c1)OCO2 ZINC000420907333 500527755 /nfs/dbraw/zinc/52/77/55/500527755.db2.gz VFNQOEGMUUQAJQ-UHFFFAOYSA-N 2 1 368.477 3.270 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000428706499 500546623 /nfs/dbraw/zinc/54/66/23/500546623.db2.gz ARGPFUIRRURBIU-LEWJYISDSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000428706499 500546625 /nfs/dbraw/zinc/54/66/25/500546625.db2.gz ARGPFUIRRURBIU-LEWJYISDSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000428706499 500546629 /nfs/dbraw/zinc/54/66/29/500546629.db2.gz ARGPFUIRRURBIU-LEWJYISDSA-N 2 1 357.542 3.475 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981979 500547804 /nfs/dbraw/zinc/54/78/04/500547804.db2.gz ZIYKWNTUCDDVBL-YPAWHYETSA-N 2 1 358.526 3.034 20 0 FGADMP O[C@@H]1CCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981979 500547806 /nfs/dbraw/zinc/54/78/06/500547806.db2.gz ZIYKWNTUCDDVBL-YPAWHYETSA-N 2 1 358.526 3.034 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000437101971 500602234 /nfs/dbraw/zinc/60/22/34/500602234.db2.gz WYULHRUKAITVIS-ATZDWAIDSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@H](C)C1 ZINC000437101971 500602236 /nfs/dbraw/zinc/60/22/36/500602236.db2.gz WYULHRUKAITVIS-ATZDWAIDSA-N 2 1 350.478 3.376 20 0 FGADMP [NH3+]CC[C@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000442601150 500603533 /nfs/dbraw/zinc/60/35/33/500603533.db2.gz PZFJERHEPNWIQI-JOCHJYFZSA-N 2 1 365.521 3.276 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442604692 500604155 /nfs/dbraw/zinc/60/41/55/500604155.db2.gz XMNFEINKOQGKMN-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435405 500605542 /nfs/dbraw/zinc/60/55/42/500605542.db2.gz OHQBWXRNPGSVGZ-JTSKRJEESA-N 2 1 367.493 3.220 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1=O ZINC000433065286 500617543 /nfs/dbraw/zinc/61/75/43/500617543.db2.gz DPKPLWBURYROKN-BHIFYINESA-N 2 1 365.521 3.259 20 0 FGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442862198 500636496 /nfs/dbraw/zinc/63/64/96/500636496.db2.gz FINDOGVWLQSECY-KRWDZBQOSA-N 2 1 355.473 3.355 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000442873703 500637976 /nfs/dbraw/zinc/63/79/76/500637976.db2.gz LCJPWXVNIWRKDU-CQSZACIVSA-N 2 1 359.436 3.262 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000433176591 500639918 /nfs/dbraw/zinc/63/99/18/500639918.db2.gz QOKIOOQBNPHWFO-UHFFFAOYSA-N 2 1 352.526 3.488 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058654 500670901 /nfs/dbraw/zinc/67/09/01/500670901.db2.gz KWOQZIGIDVLUKD-WIYYLYMNSA-N 2 1 373.541 3.200 20 0 FGADMP C[C@H](c1ccc(NC(=O)c2ccccc2C[NH+](C)C)cc1)[NH+]1CCOCC1 ZINC000433359883 500680345 /nfs/dbraw/zinc/68/03/45/500680345.db2.gz IUTQLEWMVACWGR-QGZVFWFLSA-N 2 1 367.493 3.394 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433565946 500713843 /nfs/dbraw/zinc/71/38/43/500713843.db2.gz XROOXIJXWXFGNP-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000433592033 500717939 /nfs/dbraw/zinc/71/79/39/500717939.db2.gz RLLRRMRTGFNOJS-CUBKBFNLSA-N 2 1 374.573 3.500 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409905 500720752 /nfs/dbraw/zinc/72/07/52/500720752.db2.gz YHLQNLDTPJHPNR-XIRDDKMYSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409905 500720756 /nfs/dbraw/zinc/72/07/56/500720756.db2.gz YHLQNLDTPJHPNR-XIRDDKMYSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409905 500720757 /nfs/dbraw/zinc/72/07/57/500720757.db2.gz YHLQNLDTPJHPNR-XIRDDKMYSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000448138085 500722004 /nfs/dbraw/zinc/72/20/04/500722004.db2.gz RHPMUUHPYOUMQQ-AEFFLSMTSA-N 2 1 364.534 3.082 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186652 500751866 /nfs/dbraw/zinc/75/18/66/500751866.db2.gz HIORQGITQGQRBR-FYYLOGMGSA-N 2 1 368.521 3.318 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCCOc1ccccc1 ZINC000438186652 500751870 /nfs/dbraw/zinc/75/18/70/500751870.db2.gz HIORQGITQGQRBR-FYYLOGMGSA-N 2 1 368.521 3.318 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443994256 500788644 /nfs/dbraw/zinc/78/86/44/500788644.db2.gz KYTYZYYWAQAMSA-CQSZACIVSA-N 2 1 371.428 3.018 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443994256 500788646 /nfs/dbraw/zinc/78/86/46/500788646.db2.gz KYTYZYYWAQAMSA-CQSZACIVSA-N 2 1 371.428 3.018 20 0 FGADMP COCCN1CCC[C@@H]1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000438835617 500825212 /nfs/dbraw/zinc/82/52/12/500825212.db2.gz WUTSTEIPCXXERP-LZBANZJXSA-N 2 1 359.558 3.130 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434355647 500831194 /nfs/dbraw/zinc/83/11/94/500831194.db2.gz PBVBIUUGEYXIMQ-OALUTQOASA-N 2 1 374.529 3.123 20 0 FGADMP C[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607660293 506219581 /nfs/dbraw/zinc/21/95/81/506219581.db2.gz DVQKBLGEIRCFQL-DXIQSLLYSA-N 2 1 371.569 3.128 20 0 FGADMP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691811 500880834 /nfs/dbraw/zinc/88/08/34/500880834.db2.gz UOWMWNSPQZEOSO-QGZVFWFLSA-N 2 1 358.530 3.190 20 0 FGADMP COc1cccc2c(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cccc12 ZINC000449024247 500901246 /nfs/dbraw/zinc/90/12/46/500901246.db2.gz ZOWIRSRORQKCGG-FQEVSTJZSA-N 2 1 367.537 3.450 20 0 FGADMP Cn1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449027292 500902829 /nfs/dbraw/zinc/90/28/29/500902829.db2.gz LNLXTXSRPZRTHY-UHFFFAOYSA-N 2 1 367.472 3.414 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]c1C ZINC000449123074 500930164 /nfs/dbraw/zinc/93/01/64/500930164.db2.gz MKZBPBGFPMFYQI-IBGZPJMESA-N 2 1 369.509 3.154 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]c1C ZINC000449123074 500930166 /nfs/dbraw/zinc/93/01/66/500930166.db2.gz MKZBPBGFPMFYQI-IBGZPJMESA-N 2 1 369.509 3.154 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000439789880 500939138 /nfs/dbraw/zinc/93/91/38/500939138.db2.gz RWNJGMSJDZMMRA-SLYNCCJLSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789880 500939139 /nfs/dbraw/zinc/93/91/39/500939139.db2.gz RWNJGMSJDZMMRA-SLYNCCJLSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789880 500939140 /nfs/dbraw/zinc/93/91/40/500939140.db2.gz RWNJGMSJDZMMRA-SLYNCCJLSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897717 500952502 /nfs/dbraw/zinc/95/25/02/500952502.db2.gz HQCDVLFKNLSXKD-MAUKXSAKSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897717 500952504 /nfs/dbraw/zinc/95/25/04/500952504.db2.gz HQCDVLFKNLSXKD-MAUKXSAKSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000439897717 500952507 /nfs/dbraw/zinc/95/25/07/500952507.db2.gz HQCDVLFKNLSXKD-MAUKXSAKSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000439897717 500952509 /nfs/dbraw/zinc/95/25/09/500952509.db2.gz HQCDVLFKNLSXKD-MAUKXSAKSA-N 2 1 361.555 3.018 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+](C)C3CC[NH2+]CC3)c2)cc1 ZINC000435369686 500960832 /nfs/dbraw/zinc/96/08/32/500960832.db2.gz FZHVJWGKZQHGKH-UHFFFAOYSA-N 2 1 353.466 3.131 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)C3CC[NH2+]CC3)c2)cc1 ZINC000435369686 500960834 /nfs/dbraw/zinc/96/08/34/500960834.db2.gz FZHVJWGKZQHGKH-UHFFFAOYSA-N 2 1 353.466 3.131 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000435375226 500962301 /nfs/dbraw/zinc/96/23/01/500962301.db2.gz UHBXPMCCKBKREK-HZPDHXFCSA-N 2 1 356.514 3.483 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]21 ZINC000435383897 500964314 /nfs/dbraw/zinc/96/43/14/500964314.db2.gz JUWFIWIUEJMKBC-VLCRHTCISA-N 2 1 373.504 3.494 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)C4CC[NH2+]CC4)cc3)nc12 ZINC000435386914 500966172 /nfs/dbraw/zinc/96/61/72/500966172.db2.gz WDMLQFABHYRRGG-UHFFFAOYSA-N 2 1 364.493 3.406 20 0 FGADMP CC[N@H+](Cc1cnc2c(C)cc(Br)cn12)[C@H]1CCC[NH2+]CC1 ZINC000435396354 500967696 /nfs/dbraw/zinc/96/76/96/500967696.db2.gz YHPIMUZAPAWNJS-HNNXBMFYSA-N 2 1 365.319 3.369 20 0 FGADMP CC[N@@H+](Cc1cnc2c(C)cc(Br)cn12)[C@H]1CCC[NH2+]CC1 ZINC000435396354 500967698 /nfs/dbraw/zinc/96/76/98/500967698.db2.gz YHPIMUZAPAWNJS-HNNXBMFYSA-N 2 1 365.319 3.369 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330232 500979858 /nfs/dbraw/zinc/97/98/58/500979858.db2.gz KOCGIISGWVWGQM-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330232 500979862 /nfs/dbraw/zinc/97/98/62/500979862.db2.gz KOCGIISGWVWGQM-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(I)cc1 ZINC000449330232 500979866 /nfs/dbraw/zinc/97/98/66/500979866.db2.gz KOCGIISGWVWGQM-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(I)cc1 ZINC000449330232 500979867 /nfs/dbraw/zinc/97/98/67/500979867.db2.gz KOCGIISGWVWGQM-WFASDCNBSA-N 2 1 358.267 3.063 20 0 FGADMP Cc1ncsc1C[N@@H+](C[C@H](C)CC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000435449753 500980148 /nfs/dbraw/zinc/98/01/48/500980148.db2.gz VTOKXHKOJGXVFU-CRAIPNDOSA-N 2 1 351.560 3.316 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000449334728 500980661 /nfs/dbraw/zinc/98/06/61/500980661.db2.gz XWLPBQLLCXZSJH-MRXNPFEDSA-N 2 1 358.592 3.080 20 0 FGADMP CC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435619482 501003203 /nfs/dbraw/zinc/00/32/03/501003203.db2.gz UZCRYIPLCBFBGG-OAHLLOKOSA-N 2 1 372.340 3.116 20 0 FGADMP CC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435619482 501003206 /nfs/dbraw/zinc/00/32/06/501003206.db2.gz UZCRYIPLCBFBGG-OAHLLOKOSA-N 2 1 372.340 3.116 20 0 FGADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435629179 501004715 /nfs/dbraw/zinc/00/47/15/501004715.db2.gz WXOIRSQNKJLKDG-TZIWHRDSSA-N 2 1 373.541 3.213 20 0 FGADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435629179 501004716 /nfs/dbraw/zinc/00/47/16/501004716.db2.gz WXOIRSQNKJLKDG-TZIWHRDSSA-N 2 1 373.541 3.213 20 0 FGADMP Cc1ncsc1C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435738292 501021307 /nfs/dbraw/zinc/02/13/07/501021307.db2.gz QKPIOBFLSQLLCM-INIZCTEOSA-N 2 1 363.502 3.471 20 0 FGADMP Cc1ncsc1C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CC[NH2+]C1 ZINC000435738292 501021308 /nfs/dbraw/zinc/02/13/08/501021308.db2.gz QKPIOBFLSQLLCM-INIZCTEOSA-N 2 1 363.502 3.471 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000449588934 501039364 /nfs/dbraw/zinc/03/93/64/501039364.db2.gz JHQKELRBXTZFFZ-RQGSJKACSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H](c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000449588934 501039368 /nfs/dbraw/zinc/03/93/68/501039368.db2.gz JHQKELRBXTZFFZ-RQGSJKACSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000445842809 501039743 /nfs/dbraw/zinc/03/97/43/501039743.db2.gz MWNMHWFAGLOWAY-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000582459174 506232928 /nfs/dbraw/zinc/23/29/28/506232928.db2.gz CCXOVOSCEUGFEE-QUCCMNQESA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000582459174 506232936 /nfs/dbraw/zinc/23/29/36/506232936.db2.gz CCXOVOSCEUGFEE-QUCCMNQESA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000582459174 506232942 /nfs/dbraw/zinc/23/29/42/506232942.db2.gz CCXOVOSCEUGFEE-QUCCMNQESA-N 2 1 374.573 3.315 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)cc1O ZINC000436535018 501150434 /nfs/dbraw/zinc/15/04/34/501150434.db2.gz MJYNZCOZNJAAAN-GOSISDBHSA-N 2 1 361.530 3.004 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000446823359 501168967 /nfs/dbraw/zinc/16/89/67/501168967.db2.gz LPXRWMYEBXDPNY-PXNSSMCTSA-N 2 1 352.486 3.149 20 0 FGADMP C[C@@]1(O)CCC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CCC[C@](C)(O)C3)c2)C1 ZINC000450646908 501175369 /nfs/dbraw/zinc/17/53/69/501175369.db2.gz AMABJBQYIYCKST-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@](C)(O)C3)c2)C1 ZINC000450646908 501175373 /nfs/dbraw/zinc/17/53/73/501175373.db2.gz AMABJBQYIYCKST-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCC[C@](C)(O)C3)c2)C1 ZINC000450646908 501175376 /nfs/dbraw/zinc/17/53/76/501175376.db2.gz AMABJBQYIYCKST-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000450730513 501195386 /nfs/dbraw/zinc/19/53/86/501195386.db2.gz WSQBLPHITVBZFY-SJLPKXTDSA-N 2 1 364.555 3.223 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000450730513 501195391 /nfs/dbraw/zinc/19/53/91/501195391.db2.gz WSQBLPHITVBZFY-SJLPKXTDSA-N 2 1 364.555 3.223 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc[nH+]c4ccccc43)C2)CC1 ZINC000450770189 501205401 /nfs/dbraw/zinc/20/54/01/501205401.db2.gz IGPKHYXKYCMOJL-LJQANCHMSA-N 2 1 366.509 3.005 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453100211 501268818 /nfs/dbraw/zinc/26/88/18/501268818.db2.gz YGGUELSLFPPKIV-UYAOXDASSA-N 2 1 369.557 3.010 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000453100525 501268940 /nfs/dbraw/zinc/26/89/40/501268940.db2.gz MILPSCLCJGWJAI-UHFFFAOYSA-N 3 1 366.638 3.283 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000455327743 501272769 /nfs/dbraw/zinc/27/27/69/501272769.db2.gz HKSMFGVIXQTMIS-QGZVFWFLSA-N 2 1 369.513 3.318 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453120980 501273261 /nfs/dbraw/zinc/27/32/61/501273261.db2.gz KMOFODZGVSRKCS-CWBXHPNXSA-N 2 1 372.553 3.462 20 0 FGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]31)C2 ZINC000453125830 501274063 /nfs/dbraw/zinc/27/40/63/501274063.db2.gz ATDIQHFTPADGAR-AQCRLBJHSA-N 2 1 350.510 3.300 20 0 FGADMP CC[C@H](CC(F)F)C(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457670607 501283096 /nfs/dbraw/zinc/28/30/96/501283096.db2.gz NMORBYAUCRIERJ-NJAFHUGGSA-N 2 1 373.532 3.463 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000457678959 501285160 /nfs/dbraw/zinc/28/51/60/501285160.db2.gz USCNSALWVVCEEF-QFIPXVFZSA-N 2 1 372.557 3.156 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453178074 501285893 /nfs/dbraw/zinc/28/58/93/501285893.db2.gz URUZUXPHMPPWKI-AQNXPRMDSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000453197000 501289430 /nfs/dbraw/zinc/28/94/30/501289430.db2.gz MPKROEZHZMFDEU-PGRDOPGGSA-N 2 1 353.510 3.149 20 0 FGADMP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453250325 501299225 /nfs/dbraw/zinc/29/92/25/501299225.db2.gz HCZURQDIIOKPCM-CIAFKFPVSA-N 2 1 360.542 3.054 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@@H+]1C ZINC000453344832 501317833 /nfs/dbraw/zinc/31/78/33/501317833.db2.gz JQLLAZJVNZTGSK-VNQPRFMTSA-N 2 1 360.452 3.215 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC[N@H+]1C ZINC000453344832 501317835 /nfs/dbraw/zinc/31/78/35/501317835.db2.gz JQLLAZJVNZTGSK-VNQPRFMTSA-N 2 1 360.452 3.215 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453385041 501322998 /nfs/dbraw/zinc/32/29/98/501322998.db2.gz DBCPRSWBQREMPY-BVOGOJNSSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2nccn2C)C1 ZINC000453385041 501323002 /nfs/dbraw/zinc/32/30/02/501323002.db2.gz DBCPRSWBQREMPY-BVOGOJNSSA-N 2 1 368.525 3.140 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2sc(C)cc2Br)CC1 ZINC000453579618 501352918 /nfs/dbraw/zinc/35/29/18/501352918.db2.gz JTYBNJCURAVBGR-UHFFFAOYSA-N 2 1 374.392 3.326 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3[N@@H+](C)CCCC3(C)C)ccc21 ZINC000455863801 501402086 /nfs/dbraw/zinc/40/20/86/501402086.db2.gz SIJIVVSVHNHVOQ-RBUKOAKNSA-N 2 1 358.530 3.477 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455880898 501405576 /nfs/dbraw/zinc/40/55/76/501405576.db2.gz SKEGMUFCEVCFQD-ZWKOTPCHSA-N 2 1 356.470 3.253 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458575546 501478339 /nfs/dbraw/zinc/47/83/39/501478339.db2.gz XVJXSSODRJRUEB-IEBWSBKVSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458625449 501492525 /nfs/dbraw/zinc/49/25/25/501492525.db2.gz DYRWRWVZZQPRIU-DLBZAZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000458677759 501505672 /nfs/dbraw/zinc/50/56/72/501505672.db2.gz VZNURQACKAJGOM-JOCHJYFZSA-N 2 1 374.573 3.461 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+](C)C ZINC000458763185 501525573 /nfs/dbraw/zinc/52/55/73/501525573.db2.gz IIQOAELESJXOOA-MDKPJZGXSA-N 2 1 372.557 3.112 20 0 FGADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845176 501573030 /nfs/dbraw/zinc/57/30/30/501573030.db2.gz LAZLRKBMDYPTMG-SFTDATJTSA-N 2 1 369.553 3.230 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NC3CC[NH+](C4CC4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000459456290 501657112 /nfs/dbraw/zinc/65/71/12/501657112.db2.gz HKNNTDSUCODZNQ-FCHUYYIVSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NC3CC[NH+](C4CC4)CC3)CC[N@H+]2C2CC2)c1 ZINC000459456290 501657115 /nfs/dbraw/zinc/65/71/15/501657115.db2.gz HKNNTDSUCODZNQ-FCHUYYIVSA-N 2 1 355.526 3.189 20 0 FGADMP OCCOCC[N@H+]1CCCCC[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525399 501669704 /nfs/dbraw/zinc/66/97/04/501669704.db2.gz MXPZQUHGIZNQFB-QFIPXVFZSA-N 2 1 360.542 3.152 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000457529638 501717143 /nfs/dbraw/zinc/71/71/43/501717143.db2.gz PUMTYOROGYSFEH-JOCHJYFZSA-N 2 1 372.557 3.156 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000460107359 501726962 /nfs/dbraw/zinc/72/69/62/501726962.db2.gz IKJZPPMTXQEDCY-NLWGTHIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000460107359 501726964 /nfs/dbraw/zinc/72/69/64/501726964.db2.gz IKJZPPMTXQEDCY-NLWGTHIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000460107359 501726968 /nfs/dbraw/zinc/72/69/68/501726968.db2.gz IKJZPPMTXQEDCY-NLWGTHIKSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)Cc1ccc(Br)s1 ZINC000485129210 501730435 /nfs/dbraw/zinc/73/04/35/501730435.db2.gz HTSSSCCYAWBZLI-UHFFFAOYSA-N 2 1 372.332 3.290 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)Cc1ccc(Br)s1 ZINC000485129210 501730440 /nfs/dbraw/zinc/73/04/40/501730440.db2.gz HTSSSCCYAWBZLI-UHFFFAOYSA-N 2 1 372.332 3.290 20 0 FGADMP CO[C@@H]1C[NH+](Cc2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286944 501759100 /nfs/dbraw/zinc/75/91/00/501759100.db2.gz BSMQKIQQPONZMW-MOXQZVSFSA-N 2 1 360.542 3.400 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@H](C)C1 ZINC000463572084 501765651 /nfs/dbraw/zinc/76/56/51/501765651.db2.gz XFFZWWUWNHZZGB-QBKZBJQZSA-N 2 1 360.542 3.461 20 0 FGADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000467305785 501766863 /nfs/dbraw/zinc/76/68/63/501766863.db2.gz MYJXSRZJCNERMG-OAQYLSRUSA-N 2 1 370.468 3.444 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000611718122 506272233 /nfs/dbraw/zinc/27/22/33/506272233.db2.gz XEFVOUHGPFWGMK-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@@H]1C ZINC000463736997 501806432 /nfs/dbraw/zinc/80/64/32/501806432.db2.gz XOCAXFYBSWAJGJ-SEONNTABSA-N 2 1 357.542 3.298 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000460381642 501809903 /nfs/dbraw/zinc/80/99/03/501809903.db2.gz SMKBIYYQMIOMDE-NRFANRHFSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](Cc1ccccc1)C1CC1)c1ccccc1 ZINC000460381642 501809906 /nfs/dbraw/zinc/80/99/06/501809906.db2.gz SMKBIYYQMIOMDE-NRFANRHFSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000481554678 501813443 /nfs/dbraw/zinc/81/34/43/501813443.db2.gz BFGZHXIXCFVAOI-RVKKMQEKSA-N 2 1 366.347 3.205 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](c2ccco2)C1 ZINC000460394891 501813527 /nfs/dbraw/zinc/81/35/27/501813527.db2.gz PVMCAIVFGRXMAQ-RLLQIKCJSA-N 2 1 369.509 3.472 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](c2ccco2)C1 ZINC000460394891 501813530 /nfs/dbraw/zinc/81/35/30/501813530.db2.gz PVMCAIVFGRXMAQ-RLLQIKCJSA-N 2 1 369.509 3.472 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000485425749 501817796 /nfs/dbraw/zinc/81/77/96/501817796.db2.gz IWOSAGCGKLODNA-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000485425749 501817800 /nfs/dbraw/zinc/81/78/00/501817800.db2.gz IWOSAGCGKLODNA-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000485425749 501817806 /nfs/dbraw/zinc/81/78/06/501817806.db2.gz IWOSAGCGKLODNA-SFHVURJKSA-N 2 1 359.514 3.078 20 0 FGADMP CC1CCN(Cc2csc(NC(=O)C[N@H+]3CCCC[C@@H](C)C3)n2)CC1 ZINC000481607030 501830265 /nfs/dbraw/zinc/83/02/65/501830265.db2.gz JYFNUZWNJSUVDE-MRXNPFEDSA-N 2 1 364.559 3.436 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH3+])Cc2ccccc2)cc1)C1CC1 ZINC000467702092 501848524 /nfs/dbraw/zinc/84/85/24/501848524.db2.gz CLRZQFDTTDSBGP-UHFFFAOYSA-N 2 1 351.494 3.272 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980384 501881356 /nfs/dbraw/zinc/88/13/56/501881356.db2.gz XYUTXHSTCPKDMJ-UGKGYDQZSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980384 501881358 /nfs/dbraw/zinc/88/13/58/501881358.db2.gz XYUTXHSTCPKDMJ-UGKGYDQZSA-N 2 1 369.553 3.234 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000470980384 501881364 /nfs/dbraw/zinc/88/13/64/501881364.db2.gz XYUTXHSTCPKDMJ-UGKGYDQZSA-N 2 1 369.553 3.234 20 0 FGADMP c1cnn(-c2cccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)C[C@H]4C3)c2)c1 ZINC000470998514 501886833 /nfs/dbraw/zinc/88/68/33/501886833.db2.gz PZNSTAPKEAEYAN-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cnn(-c2cccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)c2)c1 ZINC000470998514 501886837 /nfs/dbraw/zinc/88/68/37/501886837.db2.gz PZNSTAPKEAEYAN-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cnn(-c2cccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2)c1 ZINC000470998514 501886842 /nfs/dbraw/zinc/88/68/42/501886842.db2.gz PZNSTAPKEAEYAN-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cnn(-c2cccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)c2)c1 ZINC000470998514 501886844 /nfs/dbraw/zinc/88/68/44/501886844.db2.gz PZNSTAPKEAEYAN-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474707996 501928393 /nfs/dbraw/zinc/92/83/93/501928393.db2.gz KZGMQTZKGNFQKE-HXUWFJFHSA-N 2 1 361.505 3.121 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474707996 501928400 /nfs/dbraw/zinc/92/84/00/501928400.db2.gz KZGMQTZKGNFQKE-HXUWFJFHSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474707713 501928915 /nfs/dbraw/zinc/92/89/15/501928915.db2.gz DJNSIDTZIJEDEF-LJISPDSOSA-N 2 1 369.962 3.071 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048126 501940123 /nfs/dbraw/zinc/94/01/23/501940123.db2.gz DYGIRSFIZLIXTO-ICSRJNTNSA-N 2 1 372.557 3.338 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000460917060 501958958 /nfs/dbraw/zinc/95/89/58/501958958.db2.gz ZNNWGWHTAXLSJI-QFBILLFUSA-N 2 1 365.949 3.318 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000482107910 501977651 /nfs/dbraw/zinc/97/76/51/501977651.db2.gz NLMXKDABJKZQES-HNNXBMFYSA-N 2 1 361.511 3.259 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000468180674 501979858 /nfs/dbraw/zinc/97/98/58/501979858.db2.gz ZCPHXYHDFSACQA-NRFANRHFSA-N 2 1 357.542 3.372 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513526 502005513 /nfs/dbraw/zinc/00/55/13/502005513.db2.gz BZRBJHNWDPWXKA-CTNGQTDRSA-N 2 1 366.509 3.082 20 0 FGADMP CCN(C(=O)NCC1([NH+](C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475034248 502029324 /nfs/dbraw/zinc/02/93/24/502029324.db2.gz VHWBFVAMPMDFRK-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043012 502033229 /nfs/dbraw/zinc/03/32/29/502033229.db2.gz RXQILAPMKDMHGN-TZIWHRDSSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043012 502033237 /nfs/dbraw/zinc/03/32/37/502033237.db2.gz RXQILAPMKDMHGN-TZIWHRDSSA-N 2 1 369.484 3.034 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccsc21 ZINC000464656262 502056324 /nfs/dbraw/zinc/05/63/24/502056324.db2.gz LXANKFWOXCOKIB-QGZVFWFLSA-N 2 1 359.539 3.389 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000468448345 502061122 /nfs/dbraw/zinc/06/11/22/502061122.db2.gz IEIQKJLGVGGCNB-SFHVURJKSA-N 2 1 368.953 3.316 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475121750 502067196 /nfs/dbraw/zinc/06/71/96/502067196.db2.gz SELQKLAJHMHOIN-HDICACEKSA-N 2 1 364.578 3.346 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000482536656 502104621 /nfs/dbraw/zinc/10/46/21/502104621.db2.gz MRIAFPLPSYOYEV-QWHCGFSZSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000482536656 502104622 /nfs/dbraw/zinc/10/46/22/502104622.db2.gz MRIAFPLPSYOYEV-QWHCGFSZSA-N 2 1 358.313 3.231 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)O[C@H](C3CC3)C2)CC1 ZINC000475269894 502112239 /nfs/dbraw/zinc/11/22/39/502112239.db2.gz NVTQSTUVJKZUGK-GCJKJVERSA-N 2 1 357.542 3.218 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467446 502124551 /nfs/dbraw/zinc/12/45/51/502124551.db2.gz PFHZFRYSJQXRIZ-IBGZPJMESA-N 2 1 366.509 3.180 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467446 502124556 /nfs/dbraw/zinc/12/45/56/502124556.db2.gz PFHZFRYSJQXRIZ-IBGZPJMESA-N 2 1 366.509 3.180 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071689 502155074 /nfs/dbraw/zinc/15/50/74/502155074.db2.gz SYANPPBZVLVRJW-TZIWHRDSSA-N 2 1 368.525 3.076 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000482740273 502166824 /nfs/dbraw/zinc/16/68/24/502166824.db2.gz IDHDCJZUXIOPQE-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486557883 502189557 /nfs/dbraw/zinc/18/95/57/502189557.db2.gz AAUVKPMNHLEJIA-OYRDERLMSA-N 2 1 356.535 3.424 20 0 FGADMP Cc1cc2c(cc1C)[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCCO2 ZINC000482861480 502200700 /nfs/dbraw/zinc/20/07/00/502200700.db2.gz BVYXCKHRBMMLFB-HXUWFJFHSA-N 2 1 373.541 3.049 20 0 FGADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccs1 ZINC000482873911 502204124 /nfs/dbraw/zinc/20/41/24/502204124.db2.gz XOEAZHZHWQMNCS-QGZVFWFLSA-N 2 1 351.560 3.368 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2c(c1)CCCC2 ZINC000482875701 502204993 /nfs/dbraw/zinc/20/49/93/502204993.db2.gz MKIDPNQKZMSHFR-KRWDZBQOSA-N 2 1 357.542 3.159 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035013 502206696 /nfs/dbraw/zinc/20/66/96/502206696.db2.gz LMHZUYYYAWAXLI-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000472035013 502206702 /nfs/dbraw/zinc/20/67/02/502206702.db2.gz LMHZUYYYAWAXLI-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000472035013 502206707 /nfs/dbraw/zinc/20/67/07/502206707.db2.gz LMHZUYYYAWAXLI-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000472035013 502206712 /nfs/dbraw/zinc/20/67/12/502206712.db2.gz LMHZUYYYAWAXLI-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000461804704 502208885 /nfs/dbraw/zinc/20/88/85/502208885.db2.gz YJEYODYBDVFKGC-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000482943913 502223403 /nfs/dbraw/zinc/22/34/03/502223403.db2.gz FXEDMXGCOFUTGC-UYAOXDASSA-N 2 1 366.509 3.219 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000472082569 502224261 /nfs/dbraw/zinc/22/42/61/502224261.db2.gz INLGBYFUWWXJQU-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP O[C@]1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000486682304 502229732 /nfs/dbraw/zinc/22/97/32/502229732.db2.gz GFNJGQQDMHTNFC-NRFANRHFSA-N 2 1 353.441 3.034 20 0 FGADMP O[C@]1(C[NH2+]Cc2cc3ccc(F)cc3[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000486682304 502229736 /nfs/dbraw/zinc/22/97/36/502229736.db2.gz GFNJGQQDMHTNFC-NRFANRHFSA-N 2 1 353.441 3.034 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479395517 502246104 /nfs/dbraw/zinc/24/61/04/502246104.db2.gz UTIFXVWPRKQQLX-SOAMZJECSA-N 2 1 360.546 3.097 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000465431614 502259187 /nfs/dbraw/zinc/25/91/87/502259187.db2.gz KKWJZMHEXUYPIZ-NHCUHLMSSA-N 2 1 374.573 3.368 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000465431613 502259233 /nfs/dbraw/zinc/25/92/33/502259233.db2.gz KKWJZMHEXUYPIZ-LEWJYISDSA-N 2 1 374.573 3.368 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccccc1OC(F)(F)F ZINC000483091569 502267524 /nfs/dbraw/zinc/26/75/24/502267524.db2.gz RGOPBYVPNRSFCK-HNNXBMFYSA-N 2 1 357.376 3.194 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462004461 502270447 /nfs/dbraw/zinc/27/04/47/502270447.db2.gz CZXAVGGQRVWCGM-UXHICEINSA-N 2 1 366.594 3.404 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462009951 502272508 /nfs/dbraw/zinc/27/25/08/502272508.db2.gz MJCBMKMDAFAHFE-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279197 /nfs/dbraw/zinc/27/91/97/502279197.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279200 /nfs/dbraw/zinc/27/92/00/502279200.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279204 /nfs/dbraw/zinc/27/92/04/502279204.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279208 /nfs/dbraw/zinc/27/92/08/502279208.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 2 1 373.585 3.378 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000483118232 502279212 /nfs/dbraw/zinc/27/92/12/502279212.db2.gz KIJZVHMMSBSZLD-PMVMPFDFSA-N 2 1 373.585 3.378 20 0 FGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000479538329 502289247 /nfs/dbraw/zinc/28/92/47/502289247.db2.gz BRBWGYDREWUNOZ-VLCRHTCISA-N 2 1 369.553 3.466 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000472266916 502290467 /nfs/dbraw/zinc/29/04/67/502290467.db2.gz YCJASORBXIRBQK-JOCHJYFZSA-N 2 1 370.541 3.422 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465532770 502293186 /nfs/dbraw/zinc/29/31/86/502293186.db2.gz GYGLQQWNSGKHDT-PMACEKPBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273333 502293269 /nfs/dbraw/zinc/29/32/69/502293269.db2.gz GWIXGAOEKCEZJX-CRAIPNDOSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273333 502293272 /nfs/dbraw/zinc/29/32/72/502293272.db2.gz GWIXGAOEKCEZJX-CRAIPNDOSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281533 502296510 /nfs/dbraw/zinc/29/65/10/502296510.db2.gz UHNBYDUIPPNAGE-AZUAARDMSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281533 502296517 /nfs/dbraw/zinc/29/65/17/502296517.db2.gz UHNBYDUIPPNAGE-AZUAARDMSA-N 2 1 361.530 3.063 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000465554252 502305101 /nfs/dbraw/zinc/30/51/01/502305101.db2.gz GIKPCPONOGSJCC-OPYAIIAOSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000465554252 502305106 /nfs/dbraw/zinc/30/51/06/502305106.db2.gz GIKPCPONOGSJCC-OPYAIIAOSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000465554252 502305112 /nfs/dbraw/zinc/30/51/12/502305112.db2.gz GIKPCPONOGSJCC-OPYAIIAOSA-N 2 1 372.557 3.200 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000465564654 502309082 /nfs/dbraw/zinc/30/90/82/502309082.db2.gz FVCOPFDVJLLUCE-GUDVDZBRSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608034 502324671 /nfs/dbraw/zinc/32/46/71/502324671.db2.gz UCPZVZBCQWIVLZ-AZUAARDMSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465608034 502324678 /nfs/dbraw/zinc/32/46/78/502324678.db2.gz UCPZVZBCQWIVLZ-AZUAARDMSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465608034 502324685 /nfs/dbraw/zinc/32/46/85/502324685.db2.gz UCPZVZBCQWIVLZ-AZUAARDMSA-N 2 1 364.578 3.205 20 0 FGADMP Cn1nnc2cc(C[N@H+]3CCCC[C@@H]3[C@H](C[NH3+])Cc3ccccc3)ccc21 ZINC000472370012 502332866 /nfs/dbraw/zinc/33/28/66/502332866.db2.gz OXGNYOXJNWNDNB-PZJWPPBQSA-N 2 1 363.509 3.140 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000479681526 502342661 /nfs/dbraw/zinc/34/26/61/502342661.db2.gz DOMGYASQYMRCHB-FQEVSTJZSA-N 2 1 366.594 3.406 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475970391 502347386 /nfs/dbraw/zinc/34/73/86/502347386.db2.gz PHIPQLKTTUQGLF-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1 ZINC000476010602 502357173 /nfs/dbraw/zinc/35/71/73/502357173.db2.gz KGGBILDORSNZTE-SVFBPWRDSA-N 2 1 374.573 3.236 20 0 FGADMP CC(C)CNC(=O)c1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000479794424 502380679 /nfs/dbraw/zinc/38/06/79/502380679.db2.gz GHFQGROJKFAUGI-UHFFFAOYSA-N 2 1 353.510 3.423 20 0 FGADMP CC(C)CNC(=O)c1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000479794424 502380683 /nfs/dbraw/zinc/38/06/83/502380683.db2.gz GHFQGROJKFAUGI-UHFFFAOYSA-N 2 1 353.510 3.423 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C[C@H]1n1ccnc1 ZINC000469383456 502394669 /nfs/dbraw/zinc/39/46/69/502394669.db2.gz IUMMAIYLGNZEQB-ZTFGCOKTSA-N 2 1 360.889 3.249 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000465854867 502403717 /nfs/dbraw/zinc/40/37/17/502403717.db2.gz MYNHRBUILQHLGL-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000465854867 502403719 /nfs/dbraw/zinc/40/37/19/502403719.db2.gz MYNHRBUILQHLGL-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000465854867 502403722 /nfs/dbraw/zinc/40/37/22/502403722.db2.gz MYNHRBUILQHLGL-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000469481087 502433434 /nfs/dbraw/zinc/43/34/34/502433434.db2.gz CYASJAVUMUYQAI-STQMWFEESA-N 2 1 368.319 3.322 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@H]1C ZINC000483683314 502462399 /nfs/dbraw/zinc/46/23/99/502462399.db2.gz KZVSKJIPYUEOES-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000466038656 502462636 /nfs/dbraw/zinc/46/26/36/502462636.db2.gz KVUDQYVHOOWDSX-IRXDYDNUSA-N 2 1 366.575 3.084 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000480072960 502464787 /nfs/dbraw/zinc/46/47/87/502464787.db2.gz ZPZMUTRPXNUPBH-AZUAARDMSA-N 2 1 372.557 3.461 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483710897 502470766 /nfs/dbraw/zinc/47/07/66/502470766.db2.gz MJDFWXVBUMIUMA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483710897 502470772 /nfs/dbraw/zinc/47/07/72/502470772.db2.gz MJDFWXVBUMIUMA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483710897 502470778 /nfs/dbraw/zinc/47/07/78/502470778.db2.gz MJDFWXVBUMIUMA-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[N@H+](C2CCC2)C1 ZINC000487547283 502475223 /nfs/dbraw/zinc/47/52/23/502475223.db2.gz FYVLHILQOJVNAG-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](CCNC(=O)NCC1([NH+](C)C)CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472933551 502475610 /nfs/dbraw/zinc/47/56/10/502475610.db2.gz YYSJYZDKEAGFRG-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462538053 502480384 /nfs/dbraw/zinc/48/03/84/502480384.db2.gz MSHNWHXSTQVOTM-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462538053 502480387 /nfs/dbraw/zinc/48/03/87/502480387.db2.gz MSHNWHXSTQVOTM-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462538053 502480392 /nfs/dbraw/zinc/48/03/92/502480392.db2.gz MSHNWHXSTQVOTM-QUCCMNQESA-N 2 1 360.546 3.021 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000480147606 502483946 /nfs/dbraw/zinc/48/39/46/502483946.db2.gz QUXULYHOIYCHOG-OALUTQOASA-N 2 1 358.530 3.153 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000582595377 506317065 /nfs/dbraw/zinc/31/70/65/506317065.db2.gz ZTCPVUZUKPQNPJ-LVCYWYKZSA-N 2 1 372.557 3.187 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473016204 502500546 /nfs/dbraw/zinc/50/05/46/502500546.db2.gz VPUVUYCZYLQBFZ-IBGZPJMESA-N 2 1 374.573 3.318 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCOCC1 ZINC000480266329 502518186 /nfs/dbraw/zinc/51/81/86/502518186.db2.gz OQJAHDOEHUREOS-MZYLBHOOSA-N 2 1 373.585 3.234 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000469731559 502520760 /nfs/dbraw/zinc/52/07/60/502520760.db2.gz PPMUTMXLKRZKLY-QZTJIDSGSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000469731559 502520767 /nfs/dbraw/zinc/52/07/67/502520767.db2.gz PPMUTMXLKRZKLY-QZTJIDSGSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124058 502575941 /nfs/dbraw/zinc/57/59/41/502575941.db2.gz AEWRIWUTCIXNPR-HTAPYJJXSA-N 2 1 352.478 3.004 20 0 FGADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124058 502575947 /nfs/dbraw/zinc/57/59/47/502575947.db2.gz AEWRIWUTCIXNPR-HTAPYJJXSA-N 2 1 352.478 3.004 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000480493490 502583230 /nfs/dbraw/zinc/58/32/30/502583230.db2.gz KMNHPWVRJBHKIX-UHFFFAOYSA-N 2 1 351.292 3.099 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484146634 502583621 /nfs/dbraw/zinc/58/36/21/502583621.db2.gz QLMDDXXTIGJFQI-NPFVIJTESA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484146634 502583625 /nfs/dbraw/zinc/58/36/25/502583625.db2.gz QLMDDXXTIGJFQI-NPFVIJTESA-N 2 1 354.469 3.286 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)nc(N(C)C)[nH+]1 ZINC000462815931 502585775 /nfs/dbraw/zinc/58/57/75/502585775.db2.gz KQNXHLHYUSQCPU-IBGZPJMESA-N 2 1 367.541 3.064 20 0 FGADMP O[C@]1(CN[C@@H]2CCCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484171631 502592796 /nfs/dbraw/zinc/59/27/96/502592796.db2.gz FYKASGXSSHGPFW-IRLDBZIGSA-N 2 1 352.478 3.127 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000484171631 502592799 /nfs/dbraw/zinc/59/27/99/502592799.db2.gz FYKASGXSSHGPFW-IRLDBZIGSA-N 2 1 352.478 3.127 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000469908569 502593203 /nfs/dbraw/zinc/59/32/03/502593203.db2.gz QTMIUDOTKOGSSG-MRXNPFEDSA-N 2 1 355.486 3.027 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000599111966 506326600 /nfs/dbraw/zinc/32/66/00/506326600.db2.gz PYONOCLKWLCXAS-GOSISDBHSA-N 2 1 351.922 3.153 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000599111966 506326609 /nfs/dbraw/zinc/32/66/09/506326609.db2.gz PYONOCLKWLCXAS-GOSISDBHSA-N 2 1 351.922 3.153 20 0 FGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000599111966 506326612 /nfs/dbraw/zinc/32/66/12/506326612.db2.gz PYONOCLKWLCXAS-GOSISDBHSA-N 2 1 351.922 3.153 20 0 FGADMP CCC[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000599111966 506326617 /nfs/dbraw/zinc/32/66/17/506326617.db2.gz PYONOCLKWLCXAS-GOSISDBHSA-N 2 1 351.922 3.153 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000470005337 502628078 /nfs/dbraw/zinc/62/80/78/502628078.db2.gz XTAZFWBPLPEJNY-UHFFFAOYSA-N 2 1 371.319 3.288 20 0 FGADMP CCOc1c(Br)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000470022206 502633720 /nfs/dbraw/zinc/63/37/20/502633720.db2.gz IRZWGDMNAUHOEU-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP CCOc1c(Br)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000470022206 502633727 /nfs/dbraw/zinc/63/37/27/502633727.db2.gz IRZWGDMNAUHOEU-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP O=C([C@H]1CC[N@H+](C2CCCCC2)C1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000480788782 502672050 /nfs/dbraw/zinc/67/20/50/502672050.db2.gz JDUMPFGNYKHQSX-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000480788782 502672057 /nfs/dbraw/zinc/67/20/57/502672057.db2.gz JDUMPFGNYKHQSX-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000480788782 502672063 /nfs/dbraw/zinc/67/20/63/502672063.db2.gz JDUMPFGNYKHQSX-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000463065656 502680837 /nfs/dbraw/zinc/68/08/37/502680837.db2.gz ZPHGNEBLGXMMNY-VQTJNVASSA-N 2 1 366.594 3.260 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000463082823 502688880 /nfs/dbraw/zinc/68/88/80/502688880.db2.gz OZWFMQJGKHAYOF-UHFFFAOYSA-N 2 1 365.521 3.022 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488416290 502709918 /nfs/dbraw/zinc/70/99/18/502709918.db2.gz QKOYXIYKLNJIOH-LEWJYISDSA-N 2 1 361.599 3.444 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)[C@H](C)C1 ZINC000470243765 502714224 /nfs/dbraw/zinc/71/42/24/502714224.db2.gz PJDPPGLAYVAELC-VKJFTORMSA-N 2 1 371.447 3.484 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022236 502730891 /nfs/dbraw/zinc/73/08/91/502730891.db2.gz JZDFOVDHQUBTRO-RXVVDRJESA-N 2 1 354.494 3.373 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271122 502741862 /nfs/dbraw/zinc/74/18/62/502741862.db2.gz IOCFWVRHQKWTMA-NQIIRXRSSA-N 2 1 372.557 3.119 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000477339584 502747375 /nfs/dbraw/zinc/74/73/75/502747375.db2.gz QTEMXKPTDDXOCM-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179430 502775150 /nfs/dbraw/zinc/77/51/50/502775150.db2.gz USUFOKJAHPMEQW-AVRDEDQJSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179430 502775154 /nfs/dbraw/zinc/77/51/54/502775154.db2.gz USUFOKJAHPMEQW-AVRDEDQJSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000481186551 502777118 /nfs/dbraw/zinc/77/71/18/502777118.db2.gz DKIYRFRSNZTNNW-WERVVEIQSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000481186551 502777121 /nfs/dbraw/zinc/77/71/21/502777121.db2.gz DKIYRFRSNZTNNW-WERVVEIQSA-N 2 1 357.542 3.276 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474024729 502782617 /nfs/dbraw/zinc/78/26/17/502782617.db2.gz QQRGTARVWLHTCE-OAQYLSRUSA-N 2 1 359.558 3.425 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000481207544 502783182 /nfs/dbraw/zinc/78/31/82/502783182.db2.gz XFGWRCJJKBITTQ-PIBZIWMISA-N 2 1 371.569 3.428 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000481207544 502783190 /nfs/dbraw/zinc/78/31/90/502783190.db2.gz XFGWRCJJKBITTQ-PIBZIWMISA-N 2 1 371.569 3.428 20 0 FGADMP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974581 502790965 /nfs/dbraw/zinc/79/09/65/502790965.db2.gz SNJIQAINPFGLSB-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974581 502790971 /nfs/dbraw/zinc/79/09/71/502790971.db2.gz SNJIQAINPFGLSB-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974581 502790975 /nfs/dbraw/zinc/79/09/75/502790975.db2.gz SNJIQAINPFGLSB-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000470531406 502806098 /nfs/dbraw/zinc/80/60/98/502806098.db2.gz VBWYSJYRKHVMNF-SFHLNBCPSA-N 2 1 357.542 3.230 20 0 FGADMP CCN(C(=O)CC[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000504909989 502822766 /nfs/dbraw/zinc/82/27/66/502822766.db2.gz VLTMFIVHERCXMT-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072126 502844479 /nfs/dbraw/zinc/84/44/79/502844479.db2.gz YVBPCHFONNCDNR-DENIHFKCSA-N 2 1 365.521 3.336 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072126 502844484 /nfs/dbraw/zinc/84/44/84/502844484.db2.gz YVBPCHFONNCDNR-DENIHFKCSA-N 2 1 365.521 3.336 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000513072130 502844727 /nfs/dbraw/zinc/84/47/27/502844727.db2.gz YVBPCHFONNCDNR-SIKLNZKXSA-N 2 1 365.521 3.336 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC(=O)NCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000513072130 502844729 /nfs/dbraw/zinc/84/47/29/502844729.db2.gz YVBPCHFONNCDNR-SIKLNZKXSA-N 2 1 365.521 3.336 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000495728414 502860797 /nfs/dbraw/zinc/86/07/97/502860797.db2.gz NSZKAQNTJWLOPW-RBUKOAKNSA-N 2 1 363.571 3.035 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058968 502870484 /nfs/dbraw/zinc/87/04/84/502870484.db2.gz GQEMEGMTDHIZHA-TZIWHRDSSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000489058968 502870488 /nfs/dbraw/zinc/87/04/88/502870488.db2.gz GQEMEGMTDHIZHA-TZIWHRDSSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000489058968 502870491 /nfs/dbraw/zinc/87/04/91/502870491.db2.gz GQEMEGMTDHIZHA-TZIWHRDSSA-N 2 1 355.526 3.370 20 0 FGADMP CN(C(=O)c1sccc1F)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000489148591 502888044 /nfs/dbraw/zinc/88/80/44/502888044.db2.gz PQGGAYQOFWLISQ-IRXDYDNUSA-N 2 1 367.534 3.296 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180984 502895118 /nfs/dbraw/zinc/89/51/18/502895118.db2.gz HDHYSQNELLOVOY-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180984 502895121 /nfs/dbraw/zinc/89/51/21/502895121.db2.gz HDHYSQNELLOVOY-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180984 502895124 /nfs/dbraw/zinc/89/51/24/502895124.db2.gz HDHYSQNELLOVOY-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP CCc1ccc([C@H]2CCC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000513392168 502924224 /nfs/dbraw/zinc/92/42/24/502924224.db2.gz MHPFZIVVOUAGPX-NRFANRHFSA-N 2 1 371.569 3.417 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000513398020 502926403 /nfs/dbraw/zinc/92/64/03/502926403.db2.gz PATUNYUBVGMNAA-NBVRZTHBSA-N 2 1 367.493 3.462 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cccc(C(N)=O)c2)C[N@H+]1Cc1ccccc1 ZINC000513544625 502962921 /nfs/dbraw/zinc/96/29/21/502962921.db2.gz KNMGKBPJEDGSEU-FXAWDEMLSA-N 2 1 351.494 3.176 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571728 502968835 /nfs/dbraw/zinc/96/88/35/502968835.db2.gz GPZYYZKFYJMSLF-RTWAWAEBSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710987 502973383 /nfs/dbraw/zinc/97/33/83/502973383.db2.gz HFMDRCPVVNWALC-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710987 502973387 /nfs/dbraw/zinc/97/33/87/502973387.db2.gz HFMDRCPVVNWALC-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710987 502973389 /nfs/dbraw/zinc/97/33/89/502973389.db2.gz HFMDRCPVVNWALC-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000489565476 502987102 /nfs/dbraw/zinc/98/71/02/502987102.db2.gz ZRXOCRZGNQCBPN-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804187 502988787 /nfs/dbraw/zinc/98/87/87/502988787.db2.gz ZXYORYODCLBXMQ-OAQYLSRUSA-N 2 1 359.558 3.192 20 0 FGADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513707237 503005074 /nfs/dbraw/zinc/00/50/74/503005074.db2.gz ANVNJBHVIWCSMC-SLFFLAALSA-N 2 1 357.542 3.182 20 0 FGADMP CC(C)C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936286 503014349 /nfs/dbraw/zinc/01/43/49/503014349.db2.gz AWHIGIGMPDDPAN-ICSRJNTNSA-N 2 1 363.521 3.130 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000501491971 503020670 /nfs/dbraw/zinc/02/06/70/503020670.db2.gz QCBQQSFKEFZZBO-GUDVDZBRSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000501491971 503020674 /nfs/dbraw/zinc/02/06/74/503020674.db2.gz QCBQQSFKEFZZBO-GUDVDZBRSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000501491971 503020679 /nfs/dbraw/zinc/02/06/79/503020679.db2.gz QCBQQSFKEFZZBO-GUDVDZBRSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000501523901 503029209 /nfs/dbraw/zinc/02/92/09/503029209.db2.gz OTTAHUWOYGKWJP-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501523901 503029211 /nfs/dbraw/zinc/02/92/11/503029211.db2.gz OTTAHUWOYGKWJP-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501523901 503029212 /nfs/dbraw/zinc/02/92/12/503029212.db2.gz OTTAHUWOYGKWJP-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000501547123 503034541 /nfs/dbraw/zinc/03/45/41/503034541.db2.gz RSROJLFXCSVBMS-ICSRJNTNSA-N 2 1 360.546 3.243 20 0 FGADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000489793513 503036335 /nfs/dbraw/zinc/03/63/35/503036335.db2.gz CUNBAJZQDVGERC-PMACEKPBSA-N 2 1 364.578 3.157 20 0 FGADMP COc1ccccc1[C@@H](C)N(C)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489821779 503042277 /nfs/dbraw/zinc/04/22/77/503042277.db2.gz AQTQPWSVFUUDMA-QGZVFWFLSA-N 2 1 361.530 3.056 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830258 503044136 /nfs/dbraw/zinc/04/41/36/503044136.db2.gz KBWOYXWKNMEAFV-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000497809035 503046296 /nfs/dbraw/zinc/04/62/96/503046296.db2.gz RQEKRDTYWNDCLQ-HXUWFJFHSA-N 2 1 373.516 3.294 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)C3(C)CCCC3)CC2)cc1 ZINC000489862634 503051336 /nfs/dbraw/zinc/05/13/36/503051336.db2.gz GYCMDLYHHDRFDC-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)C3(C)CCCC3)CC2)cc1 ZINC000489862634 503051341 /nfs/dbraw/zinc/05/13/41/503051341.db2.gz GYCMDLYHHDRFDC-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)C3(C)CCCC3)CC2)cc1 ZINC000489862634 503051344 /nfs/dbraw/zinc/05/13/44/503051344.db2.gz GYCMDLYHHDRFDC-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000514130178 503095589 /nfs/dbraw/zinc/09/55/89/503095589.db2.gz HMDMCYRGVBCNOJ-RTBURBONSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3CCCC(F)(F)C3)CC2)C[C@@H](C)O1 ZINC000514142837 503097958 /nfs/dbraw/zinc/09/79/58/503097958.db2.gz XDQSYFBTLIRNPQ-KZNAEPCWSA-N 2 1 374.516 3.402 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CC(OC(C)(C)C)C3)cc2)CC1 ZINC000490123841 503113332 /nfs/dbraw/zinc/11/33/32/503113332.db2.gz GASDXJUAZWOPHK-UHFFFAOYSA-N 2 1 359.558 3.260 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221441 503116790 /nfs/dbraw/zinc/11/67/90/503116790.db2.gz HTZHGIOVNRYSNF-PZJWPPBQSA-N 2 1 372.557 3.163 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000514241229 503123038 /nfs/dbraw/zinc/12/30/38/503123038.db2.gz JBQQYTZKPAERPO-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000498214142 503133128 /nfs/dbraw/zinc/13/31/28/503133128.db2.gz NVEUBMMRAFAONU-SLYNCCJLSA-N 2 1 351.494 3.103 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000510542725 503139097 /nfs/dbraw/zinc/13/90/97/503139097.db2.gz BOQJHFOLICKPHS-FXAWDEMLSA-N 2 1 358.530 3.019 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000498254653 503143299 /nfs/dbraw/zinc/14/32/99/503143299.db2.gz VYQWRKGTMYPQFK-VNYTWHDVSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000498254653 503143300 /nfs/dbraw/zinc/14/33/00/503143300.db2.gz VYQWRKGTMYPQFK-VNYTWHDVSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@H]1C ZINC000498254653 503143305 /nfs/dbraw/zinc/14/33/05/503143305.db2.gz VYQWRKGTMYPQFK-VNYTWHDVSA-N 2 1 372.557 3.164 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000514866529 503214485 /nfs/dbraw/zinc/21/44/85/503214485.db2.gz LRQCWYYVSHTJIL-UHFFFAOYSA-N 2 1 353.466 3.478 20 0 FGADMP C[N@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893297 503220459 /nfs/dbraw/zinc/22/04/59/503220459.db2.gz NOBNVICXPBMJGC-JTHBVZDNSA-N 2 1 350.506 3.284 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893297 503220466 /nfs/dbraw/zinc/22/04/66/503220466.db2.gz NOBNVICXPBMJGC-JTHBVZDNSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893297 503220467 /nfs/dbraw/zinc/22/04/67/503220467.db2.gz NOBNVICXPBMJGC-JTHBVZDNSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893297 503220472 /nfs/dbraw/zinc/22/04/72/503220472.db2.gz NOBNVICXPBMJGC-JTHBVZDNSA-N 2 1 350.506 3.284 20 0 FGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490775991 503226977 /nfs/dbraw/zinc/22/69/77/503226977.db2.gz ZBALNUVOGPSSHK-YUXAGFNASA-N 2 1 365.521 3.316 20 0 FGADMP C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490775991 503226980 /nfs/dbraw/zinc/22/69/80/503226980.db2.gz ZBALNUVOGPSSHK-YUXAGFNASA-N 2 1 365.521 3.316 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000502574458 503229660 /nfs/dbraw/zinc/22/96/60/503229660.db2.gz JOZJOXBJMXIWRC-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2)cc1F ZINC000514938512 503231613 /nfs/dbraw/zinc/23/16/13/503231613.db2.gz HGGHZYHZXPSWEZ-XWIAVFTESA-N 2 1 374.460 3.073 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000490890601 503242522 /nfs/dbraw/zinc/24/25/22/503242522.db2.gz TWRSJFZXTRHGEC-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000490890601 503242524 /nfs/dbraw/zinc/24/25/24/503242524.db2.gz TWRSJFZXTRHGEC-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000490890601 503242527 /nfs/dbraw/zinc/24/25/27/503242527.db2.gz TWRSJFZXTRHGEC-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000498725837 503249543 /nfs/dbraw/zinc/24/95/43/503249543.db2.gz AMGKSGKQJOJNCE-DYXWJJEUSA-N 2 1 372.557 3.165 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCOC)cc2)CC1 ZINC000502706369 503255023 /nfs/dbraw/zinc/25/50/23/503255023.db2.gz FTWNWCPKWRHKHX-YADHBBJMSA-N 2 1 359.558 3.119 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491056805 503266881 /nfs/dbraw/zinc/26/68/81/503266881.db2.gz JLCNDEORKFEBII-LEWJYISDSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491056805 503266884 /nfs/dbraw/zinc/26/68/84/503266884.db2.gz JLCNDEORKFEBII-LEWJYISDSA-N 2 1 360.542 3.323 20 0 FGADMP C[N@H+]1CCC[C@@H](CNCc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243224 503285605 /nfs/dbraw/zinc/28/56/05/503285605.db2.gz OWUNVAWFZJJZMG-YWZLYKJASA-N 2 1 371.506 3.252 20 0 FGADMP CN1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243224 503285607 /nfs/dbraw/zinc/28/56/07/503285607.db2.gz OWUNVAWFZJJZMG-YWZLYKJASA-N 2 1 371.506 3.252 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243224 503285609 /nfs/dbraw/zinc/28/56/09/503285609.db2.gz OWUNVAWFZJJZMG-YWZLYKJASA-N 2 1 371.506 3.252 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@H]1c1cccs1 ZINC000511243224 503285611 /nfs/dbraw/zinc/28/56/11/503285611.db2.gz OWUNVAWFZJJZMG-YWZLYKJASA-N 2 1 371.506 3.252 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898586 503286706 /nfs/dbraw/zinc/28/67/06/503286706.db2.gz COQQLIMUEWPXCF-JBACZVJFSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898586 503286709 /nfs/dbraw/zinc/28/67/09/503286709.db2.gz COQQLIMUEWPXCF-JBACZVJFSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898586 503286712 /nfs/dbraw/zinc/28/67/12/503286712.db2.gz COQQLIMUEWPXCF-JBACZVJFSA-N 2 1 372.557 3.213 20 0 FGADMP CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000511264861 503290509 /nfs/dbraw/zinc/29/05/09/503290509.db2.gz GYEAMJCNPZMZBI-QFIPXVFZSA-N 2 1 365.521 3.315 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000502860122 503291556 /nfs/dbraw/zinc/29/15/56/503291556.db2.gz LKIHXCGWHSEMLQ-IBGZPJMESA-N 2 1 366.594 3.262 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498917847 503293006 /nfs/dbraw/zinc/29/30/06/503293006.db2.gz IHBWGIMBYBMSLD-XYJFISCASA-N 2 1 351.560 3.414 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000511290426 503293375 /nfs/dbraw/zinc/29/33/75/503293375.db2.gz FTSHDCWOKINMSC-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000511290426 503293380 /nfs/dbraw/zinc/29/33/80/503293380.db2.gz FTSHDCWOKINMSC-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511290426 503293384 /nfs/dbraw/zinc/29/33/84/503293384.db2.gz FTSHDCWOKINMSC-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@@H]1C ZINC000502911203 503305958 /nfs/dbraw/zinc/30/59/58/503305958.db2.gz GCGBXBWOKKGJBP-MOPGFXCFSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000502911203 503305965 /nfs/dbraw/zinc/30/59/65/503305965.db2.gz GCGBXBWOKKGJBP-MOPGFXCFSA-N 2 1 372.557 3.297 20 0 FGADMP COc1cccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)c1 ZINC000511530208 503337866 /nfs/dbraw/zinc/33/78/66/503337866.db2.gz GIOJHXCIYZXAGM-IIMDRIAPSA-N 2 1 373.541 3.210 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000503185056 503362329 /nfs/dbraw/zinc/36/23/29/503362329.db2.gz PGIDXCYGIBLJPY-IBGZPJMESA-N 2 1 374.573 3.193 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccc(O)c3Cl)CC2)C[C@H](C)O1 ZINC000507833865 503376204 /nfs/dbraw/zinc/37/62/04/503376204.db2.gz PFILJPVBHZDPCA-GJZGRUSLSA-N 2 1 352.906 3.367 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)s1 ZINC000512016581 503435518 /nfs/dbraw/zinc/43/55/18/503435518.db2.gz STBAFSBGYPUGOU-KBXCAEBGSA-N 2 1 364.584 3.439 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)s1 ZINC000512016581 503435519 /nfs/dbraw/zinc/43/55/19/503435519.db2.gz STBAFSBGYPUGOU-KBXCAEBGSA-N 2 1 364.584 3.439 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000503686488 503458965 /nfs/dbraw/zinc/45/89/65/503458965.db2.gz AVXGGCVFUCYQAK-GOSISDBHSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+](C)C ZINC000493924145 503459953 /nfs/dbraw/zinc/45/99/53/503459953.db2.gz BFEXLBNCVSPKIJ-ZVDOUQERSA-N 2 1 374.573 3.406 20 0 FGADMP Cc1cc(Cl)cc(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000508257036 503464680 /nfs/dbraw/zinc/46/46/80/503464680.db2.gz KSKZODGZVBNVML-UHFFFAOYSA-N 2 1 363.933 3.025 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000516244466 503479740 /nfs/dbraw/zinc/47/97/40/503479740.db2.gz SSOKGGIMVGEMEX-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508365759 503482665 /nfs/dbraw/zinc/48/26/65/503482665.db2.gz CUMDAIZNZBTLFI-KRXQYRFLSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508365759 503482668 /nfs/dbraw/zinc/48/26/68/503482668.db2.gz CUMDAIZNZBTLFI-KRXQYRFLSA-N 2 1 351.922 3.320 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000503986027 503505071 /nfs/dbraw/zinc/50/50/71/503505071.db2.gz ZFZXRMKRBLXWOG-LJQANCHMSA-N 2 1 354.583 3.259 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702656 503546884 /nfs/dbraw/zinc/54/68/84/503546884.db2.gz WEPCCNRESVAODB-VMBXEPDQSA-N 2 1 373.585 3.374 20 0 FGADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550925 /nfs/dbraw/zinc/55/09/25/503550925.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@H]1CCCCC[NH+]1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550931 /nfs/dbraw/zinc/55/09/31/503550931.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@H]1CCCCC[NH+]1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439320 503550933 /nfs/dbraw/zinc/55/09/33/503550933.db2.gz QAMQONNZYSBDCY-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC(C)=C[C@H](C)C3)CC2)CC1 ZINC000516692444 503570562 /nfs/dbraw/zinc/57/05/62/503570562.db2.gz QIZAQBOILWJLQW-RXVVDRJESA-N 2 1 361.574 3.245 20 0 FGADMP Clc1ccc(CCCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000504424828 503572271 /nfs/dbraw/zinc/57/22/71/503572271.db2.gz UANUFIBBBGSBRE-INIZCTEOSA-N 2 1 356.341 3.296 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516767036 503583176 /nfs/dbraw/zinc/58/31/76/503583176.db2.gz MZWAFSMFSHGHFC-JLSDUUJJSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000516767036 503583180 /nfs/dbraw/zinc/58/31/80/503583180.db2.gz MZWAFSMFSHGHFC-JLSDUUJJSA-N 2 1 367.896 3.119 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620648 503596808 /nfs/dbraw/zinc/59/68/08/503596808.db2.gz RVCZVTSOKRIVNK-QHAWAJNXSA-N 2 1 350.510 3.218 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)nc1 ZINC000512620645 503597133 /nfs/dbraw/zinc/59/71/33/503597133.db2.gz RVCZVTSOKRIVNK-NJDAHSKKSA-N 2 1 350.510 3.218 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C[C@H]1C ZINC000512713183 503619192 /nfs/dbraw/zinc/61/91/92/503619192.db2.gz XOWBBCMTOVVZNU-XSYGEPLQSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C[C@H]1C ZINC000512713183 503619194 /nfs/dbraw/zinc/61/91/94/503619194.db2.gz XOWBBCMTOVVZNU-XSYGEPLQSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C[C@H]1C ZINC000512713183 503619197 /nfs/dbraw/zinc/61/91/97/503619197.db2.gz XOWBBCMTOVVZNU-XSYGEPLQSA-N 2 1 364.578 3.154 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000516977334 503636196 /nfs/dbraw/zinc/63/61/96/503636196.db2.gz SUTPVYHROFELAN-QFIPXVFZSA-N 2 1 351.494 3.143 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000509080355 503637310 /nfs/dbraw/zinc/63/73/10/503637310.db2.gz PWJMWACTLPKOTI-ZDKHBECRSA-N 2 1 358.526 3.420 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000509080355 503637314 /nfs/dbraw/zinc/63/73/14/503637314.db2.gz PWJMWACTLPKOTI-ZDKHBECRSA-N 2 1 358.526 3.420 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C/c3ccncc3)CC2)CC1 ZINC000494975821 503644187 /nfs/dbraw/zinc/64/41/87/503644187.db2.gz KUFLHWKBMFDXKJ-ONEGZZNKSA-N 2 1 356.558 3.223 20 0 FGADMP C[N@@H+](C/C=C/c1ccncc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000494975821 503644190 /nfs/dbraw/zinc/64/41/90/503644190.db2.gz KUFLHWKBMFDXKJ-ONEGZZNKSA-N 3 1 356.558 3.223 20 0 FGADMP C[N@H+](C/C=C/c1ccncc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000494975821 503644192 /nfs/dbraw/zinc/64/41/92/503644192.db2.gz KUFLHWKBMFDXKJ-ONEGZZNKSA-N 3 1 356.558 3.223 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000500541732 503644182 /nfs/dbraw/zinc/64/41/82/503644182.db2.gz WVFDZNWWCUSRTA-RTWAWAEBSA-N 2 1 372.557 3.339 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C(=O)N(C)C)cc3)CC2)[nH+]c1 ZINC000495061068 503654577 /nfs/dbraw/zinc/65/45/77/503654577.db2.gz BNRCWPWZKBJIRC-KRWDZBQOSA-N 2 1 366.509 3.411 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000517148991 503655589 /nfs/dbraw/zinc/65/55/89/503655589.db2.gz NVAJRTRVFGJMOA-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000543173326 503659772 /nfs/dbraw/zinc/65/97/72/503659772.db2.gz QZFMTFZLLCPGRK-DYXWJJEUSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CC=CCC1 ZINC000543173326 503659777 /nfs/dbraw/zinc/65/97/77/503659777.db2.gz QZFMTFZLLCPGRK-DYXWJJEUSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CC=CCC1 ZINC000543173326 503659786 /nfs/dbraw/zinc/65/97/86/503659786.db2.gz QZFMTFZLLCPGRK-DYXWJJEUSA-N 2 1 355.526 3.054 20 0 FGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000529701544 503665030 /nfs/dbraw/zinc/66/50/30/503665030.db2.gz JADRDTHHEPHIGP-SESVDKBCSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000529701544 503665034 /nfs/dbraw/zinc/66/50/34/503665034.db2.gz JADRDTHHEPHIGP-SESVDKBCSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000529701544 503665036 /nfs/dbraw/zinc/66/50/36/503665036.db2.gz JADRDTHHEPHIGP-SESVDKBCSA-N 2 1 357.542 3.086 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000543287681 503710865 /nfs/dbraw/zinc/71/08/65/503710865.db2.gz KGQJJJPIYZALFT-RBUKOAKNSA-N 2 1 370.541 3.190 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)CC[N@@H+]1C ZINC000543294153 503714100 /nfs/dbraw/zinc/71/41/00/503714100.db2.gz JZPKMNJZESFQAW-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000543294153 503714106 /nfs/dbraw/zinc/71/41/06/503714106.db2.gz JZPKMNJZESFQAW-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[NH+]1C ZINC000543294153 503714114 /nfs/dbraw/zinc/71/41/14/503714114.db2.gz JZPKMNJZESFQAW-MOPGFXCFSA-N 2 1 365.521 3.483 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000517323805 503715742 /nfs/dbraw/zinc/71/57/42/503715742.db2.gz CHHHUWSHGKBIJT-IBGZPJMESA-N 2 1 369.553 3.292 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000517323805 503715746 /nfs/dbraw/zinc/71/57/46/503715746.db2.gz CHHHUWSHGKBIJT-IBGZPJMESA-N 2 1 369.553 3.292 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000517323805 503715752 /nfs/dbraw/zinc/71/57/52/503715752.db2.gz CHHHUWSHGKBIJT-IBGZPJMESA-N 2 1 369.553 3.292 20 0 FGADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000517387785 503731715 /nfs/dbraw/zinc/73/17/15/503731715.db2.gz OGTNBXUMLNSNOK-MGPUTAFESA-N 2 1 373.472 3.041 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536829800 503734768 /nfs/dbraw/zinc/73/47/68/503734768.db2.gz AAGDFOBACLLMBS-SMDDNHRTSA-N 2 1 365.827 3.453 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@@H](C)C1 ZINC000536846528 503738214 /nfs/dbraw/zinc/73/82/14/503738214.db2.gz QWPSYYSSLIEYDD-RXVVDRJESA-N 2 1 370.541 3.407 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCC[N@H+](C3CCCC3)CC1)C2 ZINC000527248205 503738655 /nfs/dbraw/zinc/73/86/55/503738655.db2.gz XHFOQPQOCWMJIR-INIZCTEOSA-N 2 1 358.530 3.115 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855891 503742197 /nfs/dbraw/zinc/74/21/97/503742197.db2.gz CHLIEBUOTZTZQB-BBWFWOEESA-N 2 1 373.541 3.456 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCCCCC2)CC1)CC(C)C ZINC000536887584 503749941 /nfs/dbraw/zinc/74/99/41/503749941.db2.gz ZREGPINJLDLSLW-UHFFFAOYSA-N 2 1 351.579 3.469 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415813 503761319 /nfs/dbraw/zinc/76/13/19/503761319.db2.gz CINLHPUZXTXTJT-BLLLJJGKSA-N 2 1 350.304 3.403 20 0 FGADMP Cc1[nH]ncc1C[NH2+]CCc1ccc(OCC[NH+]2C[C@H](C)[C@@H](C)C2)cc1 ZINC000537024730 503780163 /nfs/dbraw/zinc/78/01/63/503780163.db2.gz WLGCBMGYOFWDKV-IRXDYDNUSA-N 2 1 356.514 3.017 20 0 FGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000540594970 503827682 /nfs/dbraw/zinc/82/76/82/503827682.db2.gz RBJCMRUMBATDNH-GOSISDBHSA-N 2 1 373.541 3.036 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC000533407900 503834875 /nfs/dbraw/zinc/83/48/75/503834875.db2.gz JCRSZTWYLKUJPN-AWEZNQCLSA-N 2 1 352.548 3.139 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC000533407900 503834881 /nfs/dbraw/zinc/83/48/81/503834881.db2.gz JCRSZTWYLKUJPN-AWEZNQCLSA-N 2 1 352.548 3.139 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000527638230 503870555 /nfs/dbraw/zinc/87/05/55/503870555.db2.gz HHLSMKHUTNAVBY-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)(C)C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293257 503871413 /nfs/dbraw/zinc/87/14/13/503871413.db2.gz KEQKVYYSQONRLL-IEBWSBKVSA-N 2 1 363.521 3.480 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C[C@H]1OC ZINC000537293991 503871485 /nfs/dbraw/zinc/87/14/85/503871485.db2.gz POOIMFKQLOZHMV-DOIPELPJSA-N 2 1 360.542 3.053 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C[C@H]1OC ZINC000537293991 503871489 /nfs/dbraw/zinc/87/14/89/503871489.db2.gz POOIMFKQLOZHMV-DOIPELPJSA-N 2 1 360.542 3.053 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220469 503882340 /nfs/dbraw/zinc/88/23/40/503882340.db2.gz OGJMEWFVSCBMRR-IUODEOHRSA-N 2 1 366.303 3.040 20 0 FGADMP c1cc(-c2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cs2)cs1 ZINC000530240690 503889100 /nfs/dbraw/zinc/88/91/00/503889100.db2.gz NJSFMDYLXDERKV-QGZVFWFLSA-N 2 1 363.552 3.462 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000527810691 503956257 /nfs/dbraw/zinc/95/62/57/503956257.db2.gz HLSKWDCUBNICTJ-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C(=O)N2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000527810691 503956263 /nfs/dbraw/zinc/95/62/63/503956263.db2.gz HLSKWDCUBNICTJ-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)([NH+](C)C)C1 ZINC000518366661 503964833 /nfs/dbraw/zinc/96/48/33/503964833.db2.gz FOHIWEXRLSJLFS-KAGYGMCKSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000540988822 503966060 /nfs/dbraw/zinc/96/60/60/503966060.db2.gz QELLTYXAMYSQGY-TZIWHRDSSA-N 2 1 357.473 3.274 20 0 FGADMP CN(C)[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000518442820 503986003 /nfs/dbraw/zinc/98/60/03/503986003.db2.gz APZXCNLXBKNLCI-HXUWFJFHSA-N 2 1 371.912 3.117 20 0 FGADMP CN(C)[C@@H](C(=O)NCCN1CCc2ccccc2C1)c1cccc(Cl)c1 ZINC000518442820 503986007 /nfs/dbraw/zinc/98/60/07/503986007.db2.gz APZXCNLXBKNLCI-HXUWFJFHSA-N 2 1 371.912 3.117 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000541053353 503987641 /nfs/dbraw/zinc/98/76/41/503987641.db2.gz DZZIRFNXGLZWBC-INIZCTEOSA-N 2 1 352.276 3.057 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](CCOC[C@@H]4CCCO4)C3)CC2)cc1 ZINC000518469748 503994519 /nfs/dbraw/zinc/99/45/19/503994519.db2.gz CEOBPQPQGHUGCA-NRFANRHFSA-N 2 1 358.526 3.170 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@H]3c4ccccc4C(=O)N3C)CC2)C1 ZINC000528008086 504038403 /nfs/dbraw/zinc/03/84/03/504038403.db2.gz WIKHDQKPUSVFAS-MMOPVJDHSA-N 2 1 355.526 3.446 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015983 504041465 /nfs/dbraw/zinc/04/14/65/504041465.db2.gz ZWROEVDFSKTRIW-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)COC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534228396 504078119 /nfs/dbraw/zinc/07/81/19/504078119.db2.gz NZNNYZFPDOOQQZ-NRFANRHFSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000547367984 504078438 /nfs/dbraw/zinc/07/84/38/504078438.db2.gz GDMBWKSQKXQGEY-ROUUACIJSA-N 2 1 371.525 3.019 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](C(C)C)[N@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000530812501 504093788 /nfs/dbraw/zinc/09/37/88/504093788.db2.gz RXBWATHCTLJQKZ-LEWJYISDSA-N 2 1 359.558 3.306 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@@H](C)C1 ZINC000544385300 504112259 /nfs/dbraw/zinc/11/22/59/504112259.db2.gz KCFDFVYZUBDXFB-WMLDXEAASA-N 2 1 358.448 3.373 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(F)c(F)c2F)[C@H](C)C1 ZINC000544385297 504112940 /nfs/dbraw/zinc/11/29/40/504112940.db2.gz KCFDFVYZUBDXFB-PBHICJAKSA-N 2 1 358.448 3.373 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000518998578 504114747 /nfs/dbraw/zinc/11/47/47/504114747.db2.gz NWSXIALFICDYSV-IBGZPJMESA-N 2 1 366.594 3.262 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000534347832 504119694 /nfs/dbraw/zinc/11/96/94/504119694.db2.gz UYMIIPWNKPURLF-UHFFFAOYSA-N 2 1 370.497 3.358 20 0 FGADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000547475687 504119744 /nfs/dbraw/zinc/11/97/44/504119744.db2.gz QFKWELXWVZINKF-INIZCTEOSA-N 2 1 357.498 3.441 20 0 FGADMP CC[N@H+]1CCCN(C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC1 ZINC000538051614 504124965 /nfs/dbraw/zinc/12/49/65/504124965.db2.gz JGPDZCIFRSNWJX-UHFFFAOYSA-N 2 1 374.529 3.111 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)CC1 ZINC000538159419 504149526 /nfs/dbraw/zinc/14/95/26/504149526.db2.gz FMIQIPIIPSYXEK-MRXNPFEDSA-N 2 1 369.431 3.275 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542757 504170640 /nfs/dbraw/zinc/17/06/40/504170640.db2.gz DEVMTXRDFFUSPR-SFTDATJTSA-N 2 1 357.473 3.137 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@@H](C)O1 ZINC000528369779 504191491 /nfs/dbraw/zinc/19/14/91/504191491.db2.gz VMELNZIBPVSEKY-HUUCEWRRSA-N 2 1 371.447 3.422 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccsc1 ZINC000534612993 504191927 /nfs/dbraw/zinc/19/19/27/504191927.db2.gz WCSXXSJYADMOPW-QRVBRYPASA-N 2 1 372.538 3.095 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640879 504201845 /nfs/dbraw/zinc/20/18/45/504201845.db2.gz LYFSGLWLHRVOEW-XMSQKQJNSA-N 2 1 365.521 3.247 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519361819 504202428 /nfs/dbraw/zinc/20/24/28/504202428.db2.gz FJNSQSRFRKEFDC-HKUYNNGSSA-N 2 1 361.505 3.028 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000544709354 504229431 /nfs/dbraw/zinc/22/94/31/504229431.db2.gz XXIAPTXBRKLDFT-CQSZACIVSA-N 2 1 367.415 3.107 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000531282826 504251229 /nfs/dbraw/zinc/25/12/29/504251229.db2.gz NZEVCKYTRKSPOH-PZJWPPBQSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000531282826 504251233 /nfs/dbraw/zinc/25/12/33/504251233.db2.gz NZEVCKYTRKSPOH-PZJWPPBQSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000531282826 504251239 /nfs/dbraw/zinc/25/12/39/504251239.db2.gz NZEVCKYTRKSPOH-PZJWPPBQSA-N 2 1 357.542 3.422 20 0 FGADMP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000534871113 504266743 /nfs/dbraw/zinc/26/67/43/504266743.db2.gz ANPWTFGHVUZWNY-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CC1 ZINC000534871113 504266746 /nfs/dbraw/zinc/26/67/46/504266746.db2.gz ANPWTFGHVUZWNY-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)[C@]12CCCO2 ZINC000544832731 504273932 /nfs/dbraw/zinc/27/39/32/504273932.db2.gz MYIFUDPPRPNXQL-AOIWZFSPSA-N 2 1 358.526 3.213 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@]12CCCO2 ZINC000544832731 504273935 /nfs/dbraw/zinc/27/39/35/504273935.db2.gz MYIFUDPPRPNXQL-AOIWZFSPSA-N 2 1 358.526 3.213 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379064 504286066 /nfs/dbraw/zinc/28/60/66/504286066.db2.gz VFCYVKALKVGNOG-BHYGNILZSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379064 504286072 /nfs/dbraw/zinc/28/60/72/504286072.db2.gz VFCYVKALKVGNOG-BHYGNILZSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379064 504286078 /nfs/dbraw/zinc/28/60/78/504286078.db2.gz VFCYVKALKVGNOG-BHYGNILZSA-N 2 1 374.447 3.250 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+](C)C ZINC000519655625 504290920 /nfs/dbraw/zinc/29/09/20/504290920.db2.gz DODSFEHKPHJNFU-QRFRQXIXSA-N 2 1 372.513 3.181 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC2 ZINC000519710601 504312779 /nfs/dbraw/zinc/31/27/79/504312779.db2.gz SGVRLTADXARLOQ-KRWDZBQOSA-N 2 1 360.546 3.113 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698686 504337780 /nfs/dbraw/zinc/33/77/80/504337780.db2.gz BHWQWVPUWFZIAD-IEBWSBKVSA-N 2 1 363.933 3.105 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528698686 504337783 /nfs/dbraw/zinc/33/77/83/504337783.db2.gz BHWQWVPUWFZIAD-IEBWSBKVSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698686 504337786 /nfs/dbraw/zinc/33/77/86/504337786.db2.gz BHWQWVPUWFZIAD-IEBWSBKVSA-N 2 1 363.933 3.105 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528698686 504337788 /nfs/dbraw/zinc/33/77/88/504337788.db2.gz BHWQWVPUWFZIAD-IEBWSBKVSA-N 2 1 363.933 3.105 20 0 FGADMP COC(=O)c1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c[nH]1 ZINC000538724362 504344836 /nfs/dbraw/zinc/34/48/36/504344836.db2.gz GMMMQSWZMPMWJA-UHFFFAOYSA-N 2 1 367.493 3.289 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000538733054 504349123 /nfs/dbraw/zinc/34/91/23/504349123.db2.gz NTYFAEKHPRZFBR-UHFFFAOYSA-N 2 1 359.283 3.131 20 0 FGADMP Cc1nc(COc2ccc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)cc2)no1 ZINC000538750259 504356716 /nfs/dbraw/zinc/35/67/16/504356716.db2.gz NFQSMRMWDDVKPX-IBGZPJMESA-N 2 1 370.497 3.121 20 0 FGADMP Cc1nc(COc2ccc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cc2)no1 ZINC000538750259 504356722 /nfs/dbraw/zinc/35/67/22/504356722.db2.gz NFQSMRMWDDVKPX-IBGZPJMESA-N 2 1 370.497 3.121 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)no1 ZINC000538750259 504356727 /nfs/dbraw/zinc/35/67/27/504356727.db2.gz NFQSMRMWDDVKPX-IBGZPJMESA-N 2 1 370.497 3.121 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)cc2)no1 ZINC000538750259 504356731 /nfs/dbraw/zinc/35/67/31/504356731.db2.gz NFQSMRMWDDVKPX-IBGZPJMESA-N 2 1 370.497 3.121 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000542096405 504363012 /nfs/dbraw/zinc/36/30/12/504363012.db2.gz ULHCXQFPQVQLLY-UHFFFAOYSA-N 2 1 360.546 3.123 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21)C1CC[NH+](C)CC1 ZINC000538792581 504373418 /nfs/dbraw/zinc/37/34/18/504373418.db2.gz ZPKOXRAMXWCHNQ-DENIHFKCSA-N 2 1 357.542 3.218 20 0 FGADMP c1cc(N[C@@H]2CCC[C@@H]2C2CC2)cc2nc(CCN3CCOCC3)[nH]c12 ZINC000545242243 504412370 /nfs/dbraw/zinc/41/23/70/504412370.db2.gz RCBFXOGKAQRETO-QZTJIDSGSA-N 2 1 354.498 3.428 20 0 FGADMP C[N@H+]1CCCC12CCN(C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267317 504431195 /nfs/dbraw/zinc/43/11/95/504431195.db2.gz LPXYUXDUYXRMIV-IBGZPJMESA-N 2 1 360.542 3.284 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267317 504431201 /nfs/dbraw/zinc/43/12/01/504431201.db2.gz LPXYUXDUYXRMIV-IBGZPJMESA-N 2 1 360.542 3.284 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)COc1ccc(C(C)(C)C)cc1)CC2 ZINC000542267317 504431204 /nfs/dbraw/zinc/43/12/04/504431204.db2.gz LPXYUXDUYXRMIV-IBGZPJMESA-N 2 1 360.542 3.284 20 0 FGADMP CN(CCC[NH+](C)C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000542367822 504463913 /nfs/dbraw/zinc/46/39/13/504463913.db2.gz UJESJGMPWNGNET-UHFFFAOYSA-N 2 1 353.510 3.342 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cn1 ZINC000531932544 504478876 /nfs/dbraw/zinc/47/88/76/504478876.db2.gz OQSOBJPBYIXFJJ-WMZOPIPTSA-N 2 1 361.559 3.165 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378582 504482485 /nfs/dbraw/zinc/48/24/85/504482485.db2.gz JRPRCORTCBCAJY-PMACEKPBSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000520378582 504482487 /nfs/dbraw/zinc/48/24/87/504482487.db2.gz JRPRCORTCBCAJY-PMACEKPBSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000520378582 504482493 /nfs/dbraw/zinc/48/24/93/504482493.db2.gz JRPRCORTCBCAJY-PMACEKPBSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCCC[NH+]2CC)C1 ZINC000520379712 504483982 /nfs/dbraw/zinc/48/39/82/504483982.db2.gz LJODTQOCJVYMDW-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000520379712 504483984 /nfs/dbraw/zinc/48/39/84/504483984.db2.gz LJODTQOCJVYMDW-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[N@H+]2CC)C1 ZINC000520379712 504483986 /nfs/dbraw/zinc/48/39/86/504483986.db2.gz LJODTQOCJVYMDW-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](c1ccccc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148300 504487615 /nfs/dbraw/zinc/48/76/15/504487615.db2.gz LZWALLCSZCGYLX-FGTMMUONSA-N 2 1 364.505 3.477 20 0 FGADMP C[C@H](c1ccccc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148300 504487622 /nfs/dbraw/zinc/48/76/22/504487622.db2.gz LZWALLCSZCGYLX-FGTMMUONSA-N 2 1 364.505 3.477 20 0 FGADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCC2 ZINC000535624260 504488961 /nfs/dbraw/zinc/48/89/61/504488961.db2.gz LQAJWKDZEDOLDQ-TZIWHRDSSA-N 2 1 357.542 3.364 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cncs3)cc2)C[C@H]1C ZINC000539223686 504502005 /nfs/dbraw/zinc/50/20/05/504502005.db2.gz JJIVQARNFWFAPO-CALCHBBNSA-N 2 1 359.539 3.442 20 0 FGADMP CC(C)[C@H](C)NC(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535679954 504506171 /nfs/dbraw/zinc/50/61/71/504506171.db2.gz LKNPRRCUXHCAML-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807537 504550349 /nfs/dbraw/zinc/55/03/49/504550349.db2.gz QEMIJZUTJWGAGR-QYZOEREBSA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807537 504550354 /nfs/dbraw/zinc/55/03/54/504550354.db2.gz QEMIJZUTJWGAGR-QYZOEREBSA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3cc(F)ccc32)c2cccs2)CC1 ZINC000532187949 504567155 /nfs/dbraw/zinc/56/71/55/504567155.db2.gz OWRQTYYVGCNHKS-OALUTQOASA-N 2 1 359.514 3.453 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3c2cccc3F)c2cccs2)CC1 ZINC000532187795 504567504 /nfs/dbraw/zinc/56/75/04/504567504.db2.gz FPOBLEQCRQWWHQ-MOPGFXCFSA-N 2 1 359.514 3.453 20 0 FGADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520734733 504569572 /nfs/dbraw/zinc/56/95/72/504569572.db2.gz PXMQQBIUVIKRMV-QUCCMNQESA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734733 504569574 /nfs/dbraw/zinc/56/95/74/504569574.db2.gz PXMQQBIUVIKRMV-QUCCMNQESA-N 2 1 373.516 3.171 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520734733 504569577 /nfs/dbraw/zinc/56/95/77/504569577.db2.gz PXMQQBIUVIKRMV-QUCCMNQESA-N 2 1 373.516 3.171 20 0 FGADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)oc1C ZINC000532267664 504591525 /nfs/dbraw/zinc/59/15/25/504591525.db2.gz XMXQWGMEMLLGDU-UHFFFAOYSA-N 2 1 361.530 3.165 20 0 FGADMP CN(CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786718 504610367 /nfs/dbraw/zinc/61/03/67/504610367.db2.gz PZXOXJYLFLRHLO-JXFKEZNVSA-N 2 1 372.538 3.169 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccnc3ccccc23)c2cccs2)CC1 ZINC000520933264 504611873 /nfs/dbraw/zinc/61/18/73/504611873.db2.gz WHSFAHVDOUOYOE-HXUWFJFHSA-N 2 1 366.534 3.375 20 0 FGADMP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)C ZINC000520954530 504615197 /nfs/dbraw/zinc/61/51/97/504615197.db2.gz LNKBZNYBQWEHDG-IBGZPJMESA-N 2 1 363.521 3.273 20 0 FGADMP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000521167215 504668170 /nfs/dbraw/zinc/66/81/70/504668170.db2.gz HCOICWPOUIJIML-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546050978 504688699 /nfs/dbraw/zinc/68/86/99/504688699.db2.gz BVMDVDKDHJPWOX-ICSRJNTNSA-N 2 1 365.525 3.211 20 0 FGADMP C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546050978 504688706 /nfs/dbraw/zinc/68/87/06/504688706.db2.gz BVMDVDKDHJPWOX-ICSRJNTNSA-N 2 1 365.525 3.211 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000549136945 504698791 /nfs/dbraw/zinc/69/87/91/504698791.db2.gz ACMUNULPXJWLLA-GOSISDBHSA-N 2 1 357.498 3.182 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000521308653 504706451 /nfs/dbraw/zinc/70/64/51/504706451.db2.gz AXENUEHDJPBHDT-FQEVSTJZSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521308653 504706453 /nfs/dbraw/zinc/70/64/53/504706453.db2.gz AXENUEHDJPBHDT-FQEVSTJZSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000521308653 504706456 /nfs/dbraw/zinc/70/64/56/504706456.db2.gz AXENUEHDJPBHDT-FQEVSTJZSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000539857858 504719756 /nfs/dbraw/zinc/71/97/56/504719756.db2.gz AJNUUBXDHAHZKR-YFVAEKQCSA-N 2 1 357.542 3.379 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529662567 504754208 /nfs/dbraw/zinc/75/42/08/504754208.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000529662567 504754212 /nfs/dbraw/zinc/75/42/12/504754212.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000529662567 504754213 /nfs/dbraw/zinc/75/42/13/504754213.db2.gz HQRMFFMBBWFJQA-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000532838161 504765191 /nfs/dbraw/zinc/76/51/91/504765191.db2.gz DCPYAQFBAGCDLW-RTBURBONSA-N 2 1 360.546 3.069 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)CC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000559261217 504812592 /nfs/dbraw/zinc/81/25/92/504812592.db2.gz LBINZIZOJDNPIU-QUCCMNQESA-N 2 1 373.541 3.213 20 0 FGADMP CC(C)c1[nH+]c(CN2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccn21 ZINC000556273185 504833393 /nfs/dbraw/zinc/83/33/93/504833393.db2.gz OGIHDUIYKSJKEY-IBGZPJMESA-N 2 1 369.557 3.060 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3ccnn3C)C2)cc1 ZINC000562523012 504845001 /nfs/dbraw/zinc/84/50/01/504845001.db2.gz SAUOMWFMBVGGEZ-XERREHJYSA-N 2 1 365.481 3.485 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549590452 504855973 /nfs/dbraw/zinc/85/59/73/504855973.db2.gz HMOUFKPKUMRWJR-FQEVSTJZSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572742 504864093 /nfs/dbraw/zinc/86/40/93/504864093.db2.gz QITASWVFKWRAQI-ICSRJNTNSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1ccncn1 ZINC000562572742 504864098 /nfs/dbraw/zinc/86/40/98/504864098.db2.gz QITASWVFKWRAQI-ICSRJNTNSA-N 2 1 366.509 3.056 20 0 FGADMP c1[nH]c2nccnc2c1C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000565513017 504908372 /nfs/dbraw/zinc/90/83/72/504908372.db2.gz YOQFDJBWNIUCTE-JOCHJYFZSA-N 2 1 361.493 3.398 20 0 FGADMP c1[nH]c2nccnc2c1C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000565513017 504908374 /nfs/dbraw/zinc/90/83/74/504908374.db2.gz YOQFDJBWNIUCTE-JOCHJYFZSA-N 2 1 361.493 3.398 20 0 FGADMP c1[nH]c2nccnc2c1C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000565513017 504908380 /nfs/dbraw/zinc/90/83/80/504908380.db2.gz YOQFDJBWNIUCTE-JOCHJYFZSA-N 2 1 361.493 3.398 20 0 FGADMP c1[nH]c2nccnc2c1C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000565513017 504908386 /nfs/dbraw/zinc/90/83/86/504908386.db2.gz YOQFDJBWNIUCTE-JOCHJYFZSA-N 2 1 361.493 3.398 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000559794580 504929039 /nfs/dbraw/zinc/92/90/39/504929039.db2.gz ZBHHDVHFMMMWGZ-QFIPXVFZSA-N 2 1 358.574 3.283 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000553525802 504940090 /nfs/dbraw/zinc/94/00/90/504940090.db2.gz KQWRRHKJFONWCM-SFHVURJKSA-N 2 1 357.542 3.475 20 0 FGADMP COc1ccncc1CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559870619 504941137 /nfs/dbraw/zinc/94/11/37/504941137.db2.gz GXPCWSRFOCQEQJ-CEWLAPEOSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000559870619 504941143 /nfs/dbraw/zinc/94/11/43/504941143.db2.gz GXPCWSRFOCQEQJ-CEWLAPEOSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000559870619 504941148 /nfs/dbraw/zinc/94/11/48/504941148.db2.gz GXPCWSRFOCQEQJ-CEWLAPEOSA-N 2 1 351.494 3.481 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2coc(-c3cccc(F)c3)n2)CC1 ZINC000562838602 504961467 /nfs/dbraw/zinc/96/14/67/504961467.db2.gz JNWYBBASZZKGDN-RBUKOAKNSA-N 2 1 359.445 3.199 20 0 FGADMP COCC[NH+](CCOC)C1CCN(c2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000553655176 504974370 /nfs/dbraw/zinc/97/43/70/504974370.db2.gz XBQQYTUMRAOMQR-UHFFFAOYSA-N 2 1 371.525 3.415 20 0 FGADMP CC(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000556864180 504999460 /nfs/dbraw/zinc/99/94/60/504999460.db2.gz CNUGWFUTFCUDIA-YMPZKCBVSA-N 2 1 369.553 3.278 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262680 505005453 /nfs/dbraw/zinc/00/54/53/505005453.db2.gz NQMBSIPRCUWJKY-UXHICEINSA-N 2 1 360.567 3.400 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1)C1CC1 ZINC000553774989 505006223 /nfs/dbraw/zinc/00/62/23/505006223.db2.gz PKQHTZXQCKLECW-UWJYYQICSA-N 2 1 355.526 3.370 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(=O)[nH]1 ZINC000556889944 505007880 /nfs/dbraw/zinc/00/78/80/505007880.db2.gz LOUUBCOHCNYIDH-HLAWJBBLSA-N 2 1 366.509 3.271 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)Cc3ccccc3)CC2)cs1 ZINC000562993724 505013179 /nfs/dbraw/zinc/01/31/79/505013179.db2.gz MWCZJMCSHPUYMG-HXUWFJFHSA-N 2 1 373.566 3.111 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000553875665 505030609 /nfs/dbraw/zinc/03/06/09/505030609.db2.gz KHQPRYNWRXHULS-QZTJIDSGSA-N 2 1 364.534 3.006 20 0 FGADMP CC(C)(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000563122786 505053658 /nfs/dbraw/zinc/05/36/58/505053658.db2.gz DMJGFNHOZQTMLZ-HAGHYFMRSA-N 2 1 355.526 3.171 20 0 FGADMP CC(C)(C)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000563122786 505053661 /nfs/dbraw/zinc/05/36/61/505053661.db2.gz DMJGFNHOZQTMLZ-HAGHYFMRSA-N 2 1 355.526 3.171 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135151 505057472 /nfs/dbraw/zinc/05/74/72/505057472.db2.gz HTFGTUXNZVENKK-HZPDHXFCSA-N 2 1 372.431 3.458 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)cs1 ZINC000563214804 505078018 /nfs/dbraw/zinc/07/80/18/505078018.db2.gz AGVPQWGTHLUPLX-RYQLBKOJSA-N 2 1 370.522 3.116 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2)cs1 ZINC000563214804 505078021 /nfs/dbraw/zinc/07/80/21/505078021.db2.gz AGVPQWGTHLUPLX-RYQLBKOJSA-N 2 1 370.522 3.116 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069449 505080521 /nfs/dbraw/zinc/08/05/21/505080521.db2.gz RUZFUOTZCDCHEF-FGTMMUONSA-N 2 1 374.447 3.396 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)c1ccccc1 ZINC000554069449 505080528 /nfs/dbraw/zinc/08/05/28/505080528.db2.gz RUZFUOTZCDCHEF-FGTMMUONSA-N 2 1 374.447 3.396 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000566131805 505092349 /nfs/dbraw/zinc/09/23/49/505092349.db2.gz PPZIIDRTAMFNFW-KHYOSLBOSA-N 2 1 352.906 3.019 20 0 FGADMP C[NH+](C)C[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506143 505107200 /nfs/dbraw/zinc/10/72/00/505107200.db2.gz IZDGMQZENDXBTM-MJGOQNOKSA-N 2 1 365.949 3.366 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1cccc(Cl)c1 ZINC000566209508 505112981 /nfs/dbraw/zinc/11/29/81/505112981.db2.gz XJSZYHSTOBYSQU-QZTJIDSGSA-N 2 1 363.933 3.179 20 0 FGADMP COC1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550882539 505119838 /nfs/dbraw/zinc/11/98/38/505119838.db2.gz NIRORGBZFYSEMM-ITAUSPCMSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccncc1F ZINC000550885620 505119859 /nfs/dbraw/zinc/11/98/59/505119859.db2.gz ITSHDJWJYOPJSF-LAUBAEHRSA-N 2 1 356.489 3.250 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@@H]21 ZINC000566244223 505121339 /nfs/dbraw/zinc/12/13/39/505121339.db2.gz DYTULJOCZOVBKE-DYQZNNLLSA-N 2 1 355.526 3.093 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccccc3)C3CCCC3)C[C@@H]21 ZINC000566244223 505121343 /nfs/dbraw/zinc/12/13/43/505121343.db2.gz DYTULJOCZOVBKE-DYQZNNLLSA-N 2 1 355.526 3.093 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(C(F)(F)F)cn2)[C@@H]2CCC[C@@H]21 ZINC000560550035 505122424 /nfs/dbraw/zinc/12/24/24/505122424.db2.gz TURMXKKRSDDBFH-JYJNAYRXSA-N 2 1 357.420 3.332 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3Cc4ccccc4[C@H]3C)CC2)CC1 ZINC000563386272 505129076 /nfs/dbraw/zinc/12/90/76/505129076.db2.gz VRNSLEJXJFFFIB-QGZVFWFLSA-N 2 1 355.526 3.286 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419541 505129770 /nfs/dbraw/zinc/12/97/70/505129770.db2.gz MMMHXKGDLLUOIA-TZIWHRDSSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557419541 505129772 /nfs/dbraw/zinc/12/97/72/505129772.db2.gz MMMHXKGDLLUOIA-TZIWHRDSSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557419541 505129775 /nfs/dbraw/zinc/12/97/75/505129775.db2.gz MMMHXKGDLLUOIA-TZIWHRDSSA-N 2 1 357.542 3.137 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000551007378 505141243 /nfs/dbraw/zinc/14/12/43/505141243.db2.gz DGFCUPQZQFTVIU-RTWAWAEBSA-N 2 1 350.510 3.476 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000551007378 505141248 /nfs/dbraw/zinc/14/12/48/505141248.db2.gz DGFCUPQZQFTVIU-RTWAWAEBSA-N 2 1 350.510 3.476 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176498 505171327 /nfs/dbraw/zinc/17/13/27/505171327.db2.gz YSPGMAPCDVWIFE-WOJBJXKFSA-N 2 1 353.514 3.112 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176498 505171331 /nfs/dbraw/zinc/17/13/31/505171331.db2.gz YSPGMAPCDVWIFE-WOJBJXKFSA-N 2 1 353.514 3.112 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000557615660 505182699 /nfs/dbraw/zinc/18/26/99/505182699.db2.gz WJUSPGQNIVYEQN-YFVAEKQCSA-N 2 1 361.574 3.362 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000563618016 505193695 /nfs/dbraw/zinc/19/36/95/505193695.db2.gz VJBZRVLVJFNFRZ-IUODEOHRSA-N 2 1 372.296 3.164 20 0 FGADMP CC[N@@H+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@@H](C)C1 ZINC000557696934 505206510 /nfs/dbraw/zinc/20/65/10/505206510.db2.gz ZDHZHZXNNMDLQX-AWEZNQCLSA-N 2 1 373.570 3.434 20 0 FGADMP CC[N@H+]1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)[C@@H](C)C1 ZINC000557696934 505206514 /nfs/dbraw/zinc/20/65/14/505206514.db2.gz ZDHZHZXNNMDLQX-AWEZNQCLSA-N 2 1 373.570 3.434 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899038 505209826 /nfs/dbraw/zinc/20/98/26/505209826.db2.gz DGWWHAAFGJRXGP-WMZOPIPTSA-N 2 1 357.523 3.121 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899038 505209828 /nfs/dbraw/zinc/20/98/28/505209828.db2.gz DGWWHAAFGJRXGP-WMZOPIPTSA-N 2 1 357.523 3.121 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H](N[C@H]3C[C@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614383 505223528 /nfs/dbraw/zinc/22/35/28/505223528.db2.gz NXIVUXJISGLTSH-SSKFGXFMSA-N 2 1 367.493 3.013 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](N[C@H]3C[C@H]([NH3+])c4ccccc43)C2)cc(OC)c1 ZINC000566614383 505223530 /nfs/dbraw/zinc/22/35/30/505223530.db2.gz NXIVUXJISGLTSH-SSKFGXFMSA-N 2 1 367.493 3.013 20 0 FGADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@H](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686361 505243584 /nfs/dbraw/zinc/24/35/84/505243584.db2.gz KVTATZHHAITGEJ-JCGIZDLHSA-N 2 1 374.447 3.027 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@H](C)[C@H]3C)CC2)CC1 ZINC000566747235 505262845 /nfs/dbraw/zinc/26/28/45/505262845.db2.gz FBMZBKCKEDKKMP-NSHGMRRFSA-N 2 1 363.590 3.371 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699532 505284740 /nfs/dbraw/zinc/28/47/40/505284740.db2.gz FZURDRWVNLFBLX-HSZRJFAPSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551699532 505284745 /nfs/dbraw/zinc/28/47/45/505284745.db2.gz FZURDRWVNLFBLX-HSZRJFAPSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551699532 505284750 /nfs/dbraw/zinc/28/47/50/505284750.db2.gz FZURDRWVNLFBLX-HSZRJFAPSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699532 505284753 /nfs/dbraw/zinc/28/47/53/505284753.db2.gz FZURDRWVNLFBLX-HSZRJFAPSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699532 505284759 /nfs/dbraw/zinc/28/47/59/505284759.db2.gz FZURDRWVNLFBLX-HSZRJFAPSA-N 2 1 373.585 3.330 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H](O)C(C)(C)C)CC2)c1C ZINC000558054924 505297145 /nfs/dbraw/zinc/29/71/45/505297145.db2.gz UKDVPJBPVKKMTG-IBGZPJMESA-N 2 1 363.546 3.010 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H](O)C(C)(C)C)CC2)c1C ZINC000558054924 505297148 /nfs/dbraw/zinc/29/71/48/505297148.db2.gz UKDVPJBPVKKMTG-IBGZPJMESA-N 2 1 363.546 3.010 20 0 FGADMP CC[C@H](c1ccccc1OC)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000558178898 505327908 /nfs/dbraw/zinc/32/79/08/505327908.db2.gz BUZSRODLWQHBTG-LJQANCHMSA-N 2 1 361.530 3.067 20 0 FGADMP CC[C@H](c1ccccc1OC)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000558178898 505327911 /nfs/dbraw/zinc/32/79/11/505327911.db2.gz BUZSRODLWQHBTG-LJQANCHMSA-N 2 1 361.530 3.067 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@@H](C)O1 ZINC000564129577 505332867 /nfs/dbraw/zinc/33/28/67/505332867.db2.gz LKJJXVUEFOZMJG-QZTJIDSGSA-N 2 1 371.525 3.258 20 0 FGADMP COc1cccc([C@@H]2[C@H](NCC[C@H]3CCCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000555125135 505356970 /nfs/dbraw/zinc/35/69/70/505356970.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@H](NCC[C@H]3CCCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125135 505356974 /nfs/dbraw/zinc/35/69/74/505356974.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@H](NCC[C@H]3CCCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125135 505356978 /nfs/dbraw/zinc/35/69/78/505356978.db2.gz DGLJJZVSWQNYSU-STZQEDGTSA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000555125136 505357177 /nfs/dbraw/zinc/35/71/77/505357177.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125136 505357181 /nfs/dbraw/zinc/35/71/81/505357181.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125136 505357183 /nfs/dbraw/zinc/35/71/83/505357183.db2.gz DGLJJZVSWQNYSU-VLCRHTCISA-N 2 1 357.542 3.437 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506528 505363586 /nfs/dbraw/zinc/36/35/86/505363586.db2.gz ZMDNCHZRCRSAHD-HCXYKTFWSA-N 2 1 364.578 3.011 20 0 FGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)n1 ZINC000552034770 505376635 /nfs/dbraw/zinc/37/66/35/505376635.db2.gz WLVWKKBLYYTZPN-OTWHNJEPSA-N 2 1 354.498 3.304 20 0 FGADMP C[C@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558403969 505378096 /nfs/dbraw/zinc/37/80/96/505378096.db2.gz UNUWUNFTHDOATE-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP Cc1ccncc1CCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000564308512 505378708 /nfs/dbraw/zinc/37/87/08/505378708.db2.gz IIJANDBZQDSLLZ-UHFFFAOYSA-N 2 1 366.553 3.072 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)[C@H]2CCC[C@H]21 ZINC000552043956 505380328 /nfs/dbraw/zinc/38/03/28/505380328.db2.gz IERNONIFXQDNEQ-CEXWTWQISA-N 2 1 351.604 3.201 20 0 FGADMP C[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H]2CCC[C@H]21 ZINC000552043956 505380331 /nfs/dbraw/zinc/38/03/31/505380331.db2.gz IERNONIFXQDNEQ-CEXWTWQISA-N 2 1 351.604 3.201 20 0 FGADMP C[N@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)[C@H]2CCC[C@H]21 ZINC000552043956 505380332 /nfs/dbraw/zinc/38/03/32/505380332.db2.gz IERNONIFXQDNEQ-CEXWTWQISA-N 2 1 351.604 3.201 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344370 505390186 /nfs/dbraw/zinc/39/01/86/505390186.db2.gz PZKWDFZOAWHYGJ-WMZOPIPTSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344370 505390191 /nfs/dbraw/zinc/39/01/91/505390191.db2.gz PZKWDFZOAWHYGJ-WMZOPIPTSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344370 505390193 /nfs/dbraw/zinc/39/01/93/505390193.db2.gz PZKWDFZOAWHYGJ-WMZOPIPTSA-N 2 1 359.514 3.413 20 0 FGADMP C[C@@]12CCC[N@H+]1C[C@@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199942 505392882 /nfs/dbraw/zinc/39/28/82/505392882.db2.gz IXYNIRXFCYDXOT-RXVVDRJESA-N 2 1 368.481 3.258 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206540 505394074 /nfs/dbraw/zinc/39/40/74/505394074.db2.gz OHFQOXMKFDYCAN-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567206540 505394078 /nfs/dbraw/zinc/39/40/78/505394078.db2.gz OHFQOXMKFDYCAN-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567206540 505394081 /nfs/dbraw/zinc/39/40/81/505394081.db2.gz OHFQOXMKFDYCAN-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388629 505404282 /nfs/dbraw/zinc/40/42/82/505404282.db2.gz BOMBARKBWGVPCL-ROUUACIJSA-N 2 1 367.331 3.335 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388629 505404287 /nfs/dbraw/zinc/40/42/87/505404287.db2.gz BOMBARKBWGVPCL-ROUUACIJSA-N 2 1 367.331 3.335 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000567286496 505418638 /nfs/dbraw/zinc/41/86/38/505418638.db2.gz MJKBQQIHIGDASF-UHFFFAOYSA-N 2 1 369.488 3.457 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000567286496 505418642 /nfs/dbraw/zinc/41/86/42/505418642.db2.gz MJKBQQIHIGDASF-UHFFFAOYSA-N 2 1 369.488 3.457 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444859 505421890 /nfs/dbraw/zinc/42/18/90/505421890.db2.gz XIEVTTFRLJULEV-HOCLYGCPSA-N 2 1 372.340 3.007 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCCC1 ZINC000567324707 505428817 /nfs/dbraw/zinc/42/88/17/505428817.db2.gz ZXRGIDFUYYNLAN-XUVXKRRUSA-N 2 1 355.526 3.065 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000564500166 505435144 /nfs/dbraw/zinc/43/51/44/505435144.db2.gz STUFUXUEUAFOSP-UXHICEINSA-N 2 1 368.525 3.347 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000564500166 505435149 /nfs/dbraw/zinc/43/51/49/505435149.db2.gz STUFUXUEUAFOSP-UXHICEINSA-N 2 1 368.525 3.347 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000567476779 505475655 /nfs/dbraw/zinc/47/56/55/505475655.db2.gz ZJQJUWPQBLWLKP-UHFFFAOYSA-N 2 1 363.303 3.400 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c2ccccc2c1 ZINC000555683361 505491611 /nfs/dbraw/zinc/49/16/11/505491611.db2.gz BIWRDGXGAPMVKA-LJQANCHMSA-N 2 1 371.500 3.467 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802289 505524556 /nfs/dbraw/zinc/52/45/56/505524556.db2.gz ZJMVWSORWAMVKH-PGRDOPGGSA-N 2 1 369.553 3.377 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)c1 ZINC000564833241 505533371 /nfs/dbraw/zinc/53/33/71/505533371.db2.gz YIIIZIBHSHUCLC-KRWDZBQOSA-N 2 1 370.497 3.229 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000564864282 505542954 /nfs/dbraw/zinc/54/29/54/505542954.db2.gz PQEIHBLJZHOBDF-ABHNRTSZSA-N 2 1 356.432 3.215 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC000567734360 505552521 /nfs/dbraw/zinc/55/25/21/505552521.db2.gz FBLVDHNJMHLQNR-UXHICEINSA-N 2 1 352.478 3.316 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccccc1 ZINC000567734360 505552524 /nfs/dbraw/zinc/55/25/24/505552524.db2.gz FBLVDHNJMHLQNR-UXHICEINSA-N 2 1 352.478 3.316 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000552818317 505559759 /nfs/dbraw/zinc/55/97/59/505559759.db2.gz JZXMLSBRJNCRCS-GHTZIAJQSA-N 2 1 373.541 3.069 20 0 FGADMP CCc1nc2cc(CNC(=O)N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ccc2n1C1CC1 ZINC000582768569 506409083 /nfs/dbraw/zinc/40/90/83/506409083.db2.gz XMVGPMJBZONODM-GASCZTMLSA-N 2 1 369.513 3.168 20 0 FGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000582890618 506473584 /nfs/dbraw/zinc/47/35/84/506473584.db2.gz NQGXWPFLQRDWBU-KRWDZBQOSA-N 2 1 363.465 3.382 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000596650253 506510255 /nfs/dbraw/zinc/51/02/55/506510255.db2.gz NAHWLNHUEOGEER-IGGMLHCZSA-N 2 1 362.489 3.229 20 0 FGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)cc1 ZINC000596651505 506511909 /nfs/dbraw/zinc/51/19/09/506511909.db2.gz VBNILCCAKKLRPI-CBISJHAASA-N 2 1 374.525 3.098 20 0 FGADMP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517211 506539375 /nfs/dbraw/zinc/53/93/75/506539375.db2.gz INZPJSRJINKVHC-SFHVURJKSA-N 2 1 372.431 3.361 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469946 506590070 /nfs/dbraw/zinc/59/00/70/506590070.db2.gz JDCTXTKDFCUUQL-WMZOPIPTSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469946 506590072 /nfs/dbraw/zinc/59/00/72/506590072.db2.gz JDCTXTKDFCUUQL-WMZOPIPTSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469946 506590077 /nfs/dbraw/zinc/59/00/77/506590077.db2.gz JDCTXTKDFCUUQL-WMZOPIPTSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@H](C)O1 ZINC000589639027 506615446 /nfs/dbraw/zinc/61/54/46/506615446.db2.gz NWXQLRRNVMDRSY-IRXDYDNUSA-N 2 1 364.493 3.462 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccc4nc[nH]c4c3)cc2)C[C@@H](C)O1 ZINC000589639026 506616031 /nfs/dbraw/zinc/61/60/31/506616031.db2.gz NWXQLRRNVMDRSY-IAGOWNOFSA-N 2 1 364.493 3.462 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000583264225 506684882 /nfs/dbraw/zinc/68/48/82/506684882.db2.gz HCXDXBZPMPSFPJ-FHLIZLRMSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000589992890 506698319 /nfs/dbraw/zinc/69/83/19/506698319.db2.gz IWSVJCIMYVBIEY-UXHICEINSA-N 2 1 357.473 3.238 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317084 506713739 /nfs/dbraw/zinc/71/37/39/506713739.db2.gz PHNAJNUKHHTGMK-PKOBYXMFSA-N 2 1 363.505 3.229 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325213 506718753 /nfs/dbraw/zinc/71/87/53/506718753.db2.gz FJWOCOYZTCQTQP-OLZOCXBDSA-N 2 1 353.297 3.463 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325213 506718759 /nfs/dbraw/zinc/71/87/59/506718759.db2.gz FJWOCOYZTCQTQP-OLZOCXBDSA-N 2 1 353.297 3.463 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604184567 506740857 /nfs/dbraw/zinc/74/08/57/506740857.db2.gz XSBVKBVDOZYUBN-CTNGQTDRSA-N 2 1 372.557 3.243 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CCSCc3ccccc3)cc2)C1 ZINC000597186124 506822570 /nfs/dbraw/zinc/82/25/70/506822570.db2.gz FJSPDYQIHKBLTI-NRFANRHFSA-N 2 1 356.535 3.276 20 0 FGADMP Cc1ccc(-c2csc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)n2)cc1 ZINC000583522940 506824924 /nfs/dbraw/zinc/82/49/24/506824924.db2.gz FHEAFRWFGSJVLQ-UHFFFAOYSA-N 2 1 360.571 3.434 20 0 FGADMP Cc1ccc(-c2csc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n2)cc1 ZINC000583522940 506824926 /nfs/dbraw/zinc/82/49/26/506824926.db2.gz FHEAFRWFGSJVLQ-UHFFFAOYSA-N 2 1 360.571 3.434 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2cccs2)CC1 ZINC000583571438 506855195 /nfs/dbraw/zinc/85/51/95/506855195.db2.gz XBIJUSYBRLKRMB-UHFFFAOYSA-N 2 1 371.550 3.226 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000590786544 506955868 /nfs/dbraw/zinc/95/58/68/506955868.db2.gz DSPUERIRXLQMNP-LXZJYRNTSA-N 2 1 351.579 3.368 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000583921541 507052535 /nfs/dbraw/zinc/05/25/35/507052535.db2.gz JGXHGTDWHFBBKQ-UTKZUKDTSA-N 2 1 372.557 3.326 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2cc(C)ccc2C)CC1 ZINC000613491522 507117277 /nfs/dbraw/zinc/11/72/77/507117277.db2.gz VVLSDXDSIWRHTP-NRFANRHFSA-N 2 1 362.558 3.487 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061637 507131881 /nfs/dbraw/zinc/13/18/81/507131881.db2.gz QRDBPDHOZPEOHB-CRAIPNDOSA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061637 507131890 /nfs/dbraw/zinc/13/18/90/507131890.db2.gz QRDBPDHOZPEOHB-CRAIPNDOSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1cnc(CC[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000584169966 507191973 /nfs/dbraw/zinc/19/19/73/507191973.db2.gz SRRBRWBLMOUQQJ-BGYRXZFFSA-N 2 1 359.558 3.452 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000591438015 507249407 /nfs/dbraw/zinc/24/94/07/507249407.db2.gz PEEOOHSQGLYUNB-FXAWDEMLSA-N 2 1 373.541 3.010 20 0 FGADMP CC1(C)Oc2ccsc2[C@@H](NCc2ccc(-n3ccnc3)cc2)[C@@H]1O ZINC000584277400 507251142 /nfs/dbraw/zinc/25/11/42/507251142.db2.gz GQDTYHKMQYFVSY-AEFFLSMTSA-N 2 1 355.463 3.297 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)C1CCCCC1 ZINC000591558215 507291130 /nfs/dbraw/zinc/29/11/30/507291130.db2.gz ATQLIPIJRLHKFO-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000591559041 507291223 /nfs/dbraw/zinc/29/12/23/507291223.db2.gz CHPJFHREEISZAZ-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594962086 507333507 /nfs/dbraw/zinc/33/35/07/507333507.db2.gz PMVGDPVEVWCMLC-YDIMBITNSA-N 2 1 350.572 3.424 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1 ZINC000594962086 507333511 /nfs/dbraw/zinc/33/35/11/507333511.db2.gz PMVGDPVEVWCMLC-YDIMBITNSA-N 2 1 350.572 3.424 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464668 507359490 /nfs/dbraw/zinc/35/94/90/507359490.db2.gz CSXBGSNNFFSPQQ-BXWFABGCSA-N 2 1 354.922 3.100 20 0 FGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000606359977 507373819 /nfs/dbraw/zinc/37/38/19/507373819.db2.gz CZHJXUOMYRHWEV-FQEVSTJZSA-N 2 1 356.514 3.406 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC[NH+](C)CC1 ZINC000584559562 507410742 /nfs/dbraw/zinc/41/07/42/507410742.db2.gz WUCYGKZMVCHUOG-NJDAHSKKSA-N 3 1 373.610 3.314 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)[NH+]2CCCC2)cc1 ZINC000606662075 507473855 /nfs/dbraw/zinc/47/38/55/507473855.db2.gz MAZQZGAFDJGXMT-NHCUHLMSSA-N 2 1 372.557 3.114 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000595407422 507483528 /nfs/dbraw/zinc/48/35/28/507483528.db2.gz RUAAOFUDKBCUSZ-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000595407422 507483532 /nfs/dbraw/zinc/48/35/32/507483532.db2.gz RUAAOFUDKBCUSZ-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+]1CC[C@@H](CNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000595407422 507483536 /nfs/dbraw/zinc/48/35/36/507483536.db2.gz RUAAOFUDKBCUSZ-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000606703736 507489870 /nfs/dbraw/zinc/48/98/70/507489870.db2.gz BTJTVJLSJBIHGW-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)c3n2CCCC3)c1 ZINC000598633792 507526237 /nfs/dbraw/zinc/52/62/37/507526237.db2.gz OHEUAULJLPWRPI-UHFFFAOYSA-N 2 1 369.509 3.353 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614726070 507636653 /nfs/dbraw/zinc/63/66/53/507636653.db2.gz WHKRLBQUGSNOLT-HJNYFJLDSA-N 2 1 369.553 3.026 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1F ZINC000585810852 507642379 /nfs/dbraw/zinc/64/23/79/507642379.db2.gz QMOXQLOETGRQGI-UHFFFAOYSA-N 2 1 355.457 3.409 20 0 FGADMP CCC[N@@H+](C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000607340035 507693870 /nfs/dbraw/zinc/69/38/70/507693870.db2.gz SFSLCYALZHWQLE-UHFFFAOYSA-N 2 1 351.922 3.106 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000586855585 507694158 /nfs/dbraw/zinc/69/41/58/507694158.db2.gz YGNIDINCNFIXJK-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000586855585 507694163 /nfs/dbraw/zinc/69/41/63/507694163.db2.gz YGNIDINCNFIXJK-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517993 507718549 /nfs/dbraw/zinc/71/85/49/507718549.db2.gz ZCGNAFMXHRELTD-QAPCUYQASA-N 2 1 356.466 3.375 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517993 507718560 /nfs/dbraw/zinc/71/85/60/507718560.db2.gz ZCGNAFMXHRELTD-QAPCUYQASA-N 2 1 356.466 3.375 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(C)CC3)cc2)on1 ZINC000602510447 507731481 /nfs/dbraw/zinc/73/14/81/507731481.db2.gz ITVXGZMJKHMJOI-UHFFFAOYSA-N 2 1 371.481 3.373 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)on1 ZINC000602514305 507732973 /nfs/dbraw/zinc/73/29/73/507732973.db2.gz JEBYDJAJSAHGSL-OAHLLOKOSA-N 2 1 357.454 3.125 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)on1 ZINC000602514305 507732977 /nfs/dbraw/zinc/73/29/77/507732977.db2.gz JEBYDJAJSAHGSL-OAHLLOKOSA-N 2 1 357.454 3.125 20 0 FGADMP COC(=O)c1[nH]c(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cc1C ZINC000602521731 507736883 /nfs/dbraw/zinc/73/68/83/507736883.db2.gz NQOFPSVZTWWGCS-UHFFFAOYSA-N 2 1 356.401 3.033 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC000602544590 507743639 /nfs/dbraw/zinc/74/36/39/507743639.db2.gz MNELURWVHZFVHM-UHFFFAOYSA-N 2 1 372.513 3.117 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C(=O)OC(C)(C)C)cnn2C)c1 ZINC000602544590 507743643 /nfs/dbraw/zinc/74/36/43/507743643.db2.gz MNELURWVHZFVHM-UHFFFAOYSA-N 2 1 372.513 3.117 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000588101517 507762337 /nfs/dbraw/zinc/76/23/37/507762337.db2.gz CEOQEZPIINDEGO-CTNGQTDRSA-N 2 1 373.516 3.125 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)F)cc1 ZINC000588106091 507763961 /nfs/dbraw/zinc/76/39/61/507763961.db2.gz DGQUEMOEZRKFPD-KRWDZBQOSA-N 2 1 353.457 3.112 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC[C@@H]1[NH3+] ZINC000669121473 568069628 /nfs/dbraw/zinc/06/96/28/568069628.db2.gz BHDXGRVJJJGCQH-UIFIKXQLSA-N 2 1 372.557 3.187 20 0 FGADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc(CN4CCOCC4)cc3)CCCO2)cc1 ZINC000643250186 568316100 /nfs/dbraw/zinc/31/61/00/568316100.db2.gz DSHIFCCWBSXWIQ-QHCPKHFHSA-N 2 1 366.505 3.482 20 0 FGADMP c1ccc([C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCCO2)cc1 ZINC000643250186 568316101 /nfs/dbraw/zinc/31/61/01/568316101.db2.gz DSHIFCCWBSXWIQ-QHCPKHFHSA-N 2 1 366.505 3.482 20 0 FGADMP c1ccc(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)nc1 ZINC000643251398 568327610 /nfs/dbraw/zinc/32/76/10/568327610.db2.gz AKIWNDLPMWXYMD-UHFFFAOYSA-N 2 1 351.494 3.293 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158129736 705173748 /nfs/dbraw/zinc/17/37/48/705173748.db2.gz POIGLDIGEUICBT-HOTGVXAUSA-N 2 1 351.922 3.169 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158129736 705173754 /nfs/dbraw/zinc/17/37/54/705173754.db2.gz POIGLDIGEUICBT-HOTGVXAUSA-N 2 1 351.922 3.169 20 0 FGADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422604 705701047 /nfs/dbraw/zinc/70/10/47/705701047.db2.gz DNAAYLWKGVKLRB-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422604 705701049 /nfs/dbraw/zinc/70/10/49/705701049.db2.gz DNAAYLWKGVKLRB-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422604 705701053 /nfs/dbraw/zinc/70/10/53/705701053.db2.gz DNAAYLWKGVKLRB-KRWDZBQOSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000179426581 705701628 /nfs/dbraw/zinc/70/16/28/705701628.db2.gz HNTIQMSDXWXEHR-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180458743 705740893 /nfs/dbraw/zinc/74/08/93/705740893.db2.gz HBCSVIQYIQSOFI-KZNAEPCWSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541393 705849312 /nfs/dbraw/zinc/84/93/12/705849312.db2.gz VKWQSULGWNEMGD-XYJFISCASA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195201392 713549079 /nfs/dbraw/zinc/54/90/79/713549079.db2.gz MFQBKHOAIGVYSE-PXNSSMCTSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000245419117 713604893 /nfs/dbraw/zinc/60/48/93/713604893.db2.gz GXMYITSHQBCNFQ-FUHWJXTLSA-N 2 1 353.551 3.296 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)CCCC[NH+]2CCCCC2)C1 ZINC000641784153 717929926 /nfs/dbraw/zinc/92/99/26/717929926.db2.gz RFAAWJFRSYUYRM-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839819 713813591 /nfs/dbraw/zinc/81/35/91/713813591.db2.gz JMJXLCPMUTYTBE-VGUREELVSA-N 2 1 351.535 3.379 20 0 FGADMP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nc(-c3cccs3)no1)CC2)C1CC1 ZINC000374319345 713913157 /nfs/dbraw/zinc/91/31/57/713913157.db2.gz XQEOQMJMUWSPAS-AWEZNQCLSA-N 2 1 358.511 3.494 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nc(-c3cccs3)no1)CC2)C1CC1 ZINC000374319345 713913159 /nfs/dbraw/zinc/91/31/59/713913159.db2.gz XQEOQMJMUWSPAS-AWEZNQCLSA-N 2 1 358.511 3.494 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418567774 714010323 /nfs/dbraw/zinc/01/03/23/714010323.db2.gz BFGHQIYPLCRWIQ-RBUKOAKNSA-N 2 1 352.567 3.046 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474712403 714083657 /nfs/dbraw/zinc/08/36/57/714083657.db2.gz JZZBAVRFYKFHSP-CVEARBPZSA-N 2 1 365.949 3.364 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000522077270 714168687 /nfs/dbraw/zinc/16/86/87/714168687.db2.gz YOKJXOSSMZIMKD-GOSISDBHSA-N 2 1 354.583 3.305 20 0 FGADMP CC(C)Oc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000617502732 714662895 /nfs/dbraw/zinc/66/28/95/714662895.db2.gz ZZCCNNXJFKHQNY-HNNXBMFYSA-N 2 1 369.937 3.129 20 0 FGADMP CC(C)Oc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000617502732 714662899 /nfs/dbraw/zinc/66/28/99/714662899.db2.gz ZZCCNNXJFKHQNY-HNNXBMFYSA-N 2 1 369.937 3.129 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000621641690 715014215 /nfs/dbraw/zinc/01/42/15/715014215.db2.gz RYAAQENBIWCIQE-KRWDZBQOSA-N 2 1 363.933 3.154 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000621641690 715014223 /nfs/dbraw/zinc/01/42/23/715014223.db2.gz RYAAQENBIWCIQE-KRWDZBQOSA-N 2 1 363.933 3.154 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624119931 715476592 /nfs/dbraw/zinc/47/65/92/715476592.db2.gz MUSDEQNEROJJHX-HUUCEWRRSA-N 2 1 367.921 3.387 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624121254 715477419 /nfs/dbraw/zinc/47/74/19/715477419.db2.gz RFQQIFRFBBKHSC-SJORKVTESA-N 2 1 350.503 3.103 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)c1cccs1 ZINC000624548435 715554312 /nfs/dbraw/zinc/55/43/12/715554312.db2.gz OSQSEEDQWVVBFR-IAGOWNOFSA-N 2 1 364.559 3.057 20 0 FGADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3([NH3+])CCOCC3)s2)cc1 ZINC000629521640 716302374 /nfs/dbraw/zinc/30/23/74/716302374.db2.gz PRTDJISEOFSSPW-ZDUSSCGKSA-N 2 1 361.511 3.286 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656990 716331006 /nfs/dbraw/zinc/33/10/06/716331006.db2.gz SHRBVCPSBMNYKD-GOEBONIOSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656990 716331010 /nfs/dbraw/zinc/33/10/10/716331010.db2.gz SHRBVCPSBMNYKD-GOEBONIOSA-N 2 1 352.404 3.344 20 0 FGADMP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ncc(Br)cc1F ZINC000635009636 717139433 /nfs/dbraw/zinc/13/94/33/717139433.db2.gz JQTKPENKUNSHDV-NSHDSACASA-N 2 1 364.262 3.480 20 0 FGADMP COc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c(Cl)cc1O ZINC000638447298 717448115 /nfs/dbraw/zinc/44/81/15/717448115.db2.gz BRRJMKANGVIMLL-UHFFFAOYSA-N 2 1 364.873 3.284 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@@H](N)c2ccc(Cl)cc2F)nn1 ZINC000641167103 717869851 /nfs/dbraw/zinc/86/98/51/717869851.db2.gz BMMXZLPLTJHWJI-KDOFPFPSSA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167103 717869860 /nfs/dbraw/zinc/86/98/60/717869860.db2.gz BMMXZLPLTJHWJI-KDOFPFPSSA-N 2 1 365.884 3.382 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2F)nn1 ZINC000641167103 717869863 /nfs/dbraw/zinc/86/98/63/717869863.db2.gz BMMXZLPLTJHWJI-KDOFPFPSSA-N 2 1 365.884 3.382 20 0 FGADMP COc1cc(Br)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c(OC)c1 ZINC000647552977 718367364 /nfs/dbraw/zinc/36/73/64/718367364.db2.gz ICAJWXTZVVSMBD-UHFFFAOYSA-N 2 1 365.271 3.215 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)CSc2ccccc2)CC1 ZINC000649665426 718547150 /nfs/dbraw/zinc/54/71/50/718547150.db2.gz KOJIVWPIOWAKBL-KRWDZBQOSA-N 2 1 363.571 3.088 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)CSc2ccccc2)CC1 ZINC000649665426 718547155 /nfs/dbraw/zinc/54/71/55/718547155.db2.gz KOJIVWPIOWAKBL-KRWDZBQOSA-N 2 1 363.571 3.088 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706344 718716767 /nfs/dbraw/zinc/71/67/67/718716767.db2.gz IZFNDOKZXDROJL-QRTARXTBSA-N 2 1 368.905 3.076 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651220570 718784193 /nfs/dbraw/zinc/78/41/93/718784193.db2.gz MBCLTIJXZBLQQT-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000651220570 718784195 /nfs/dbraw/zinc/78/41/95/718784195.db2.gz MBCLTIJXZBLQQT-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000651220570 718784199 /nfs/dbraw/zinc/78/41/99/718784199.db2.gz MBCLTIJXZBLQQT-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000651479521 718818763 /nfs/dbraw/zinc/81/87/63/718818763.db2.gz HHBVQGYOHSEUTI-XOYOTBSWSA-N 2 1 355.448 3.089 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC[N@H+]1C ZINC000651479521 718818766 /nfs/dbraw/zinc/81/87/66/718818766.db2.gz HHBVQGYOHSEUTI-XOYOTBSWSA-N 2 1 355.448 3.089 20 0 FGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000651666969 718848697 /nfs/dbraw/zinc/84/86/97/718848697.db2.gz UAALMPNSMLGKMA-DLBZAZTESA-N 2 1 353.576 3.077 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652191352 718921835 /nfs/dbraw/zinc/92/18/35/718921835.db2.gz RYJQLSLGISTXLF-QGZVFWFLSA-N 2 1 366.937 3.151 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c2ncnc1-2 ZINC001164628842 719086096 /nfs/dbraw/zinc/08/60/96/719086096.db2.gz OZGWKNYTTLVPFQ-GJZGRUSLSA-N 2 1 368.872 3.107 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c2ncnc1-2 ZINC001164628842 719086099 /nfs/dbraw/zinc/08/60/99/719086099.db2.gz OZGWKNYTTLVPFQ-GJZGRUSLSA-N 2 1 368.872 3.107 20 0 FGADMP c1cn(-c2cc[nH+]c(N3CCC[C@@H]4C[N@H+](Cc5ccccc5)C[C@@H]43)c2)cn1 ZINC001164629612 719106580 /nfs/dbraw/zinc/10/65/80/719106580.db2.gz SWAPGAQODLAZLK-CTNGQTDRSA-N 2 1 359.477 3.368 20 0 FGADMP CCOc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(Br)c1OC ZINC000656788773 719471053 /nfs/dbraw/zinc/47/10/53/719471053.db2.gz YVLHIYLYBXDOSL-UHFFFAOYSA-N 2 1 357.292 3.218 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccccc3)ccn2)c2c1CC[NH2+]C2 ZINC001164681765 719613163 /nfs/dbraw/zinc/61/31/63/719613163.db2.gz AJTRELBEUHYQCJ-UHFFFAOYSA-N 2 1 361.493 3.420 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccccc3)ccn2)c2c1CC[NH2+]C2 ZINC001164681765 719613170 /nfs/dbraw/zinc/61/31/70/719613170.db2.gz AJTRELBEUHYQCJ-UHFFFAOYSA-N 2 1 361.493 3.420 20 0 FGADMP C[NH2+][C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000659318374 719896832 /nfs/dbraw/zinc/89/68/32/719896832.db2.gz FXNZOXYSNIHHGN-QWQCLYJRSA-N 2 1 372.340 3.491 20 0 FGADMP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659957589 719963324 /nfs/dbraw/zinc/96/33/24/719963324.db2.gz VGQYTZABHOHIPU-LPHOPBHVSA-N 2 1 359.539 3.297 20 0 FGADMP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659957591 719963465 /nfs/dbraw/zinc/96/34/65/719963465.db2.gz VGQYTZABHOHIPU-VQIMIIECSA-N 2 1 359.539 3.297 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656131 720092173 /nfs/dbraw/zinc/09/21/73/720092173.db2.gz PZLIBCIZSPSSPY-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656131 720092178 /nfs/dbraw/zinc/09/21/78/720092178.db2.gz PZLIBCIZSPSSPY-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656131 720092185 /nfs/dbraw/zinc/09/21/85/720092185.db2.gz PZLIBCIZSPSSPY-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656131 720092191 /nfs/dbraw/zinc/09/21/91/720092191.db2.gz PZLIBCIZSPSSPY-YJBOKZPZSA-N 2 1 373.324 3.151 20 0 FGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258317 720406015 /nfs/dbraw/zinc/40/60/15/720406015.db2.gz ZKCKSCSGPDMKMN-MAUKXSAKSA-N 2 1 364.917 3.124 20 0 FGADMP Fc1cc(Br)cc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281064 720409375 /nfs/dbraw/zinc/40/93/75/720409375.db2.gz SHCIFIKUKHNRPE-HZPDHXFCSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc(Br)cc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662281064 720409377 /nfs/dbraw/zinc/40/93/77/720409377.db2.gz SHCIFIKUKHNRPE-HZPDHXFCSA-N 2 1 369.278 3.246 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284219 720409963 /nfs/dbraw/zinc/40/99/63/720409963.db2.gz MDIMAQNVPYWDJV-DJIMGWMZSA-N 2 1 356.482 3.418 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)CCO1 ZINC000662321912 720415350 /nfs/dbraw/zinc/41/53/50/720415350.db2.gz KUFZHYUHDFSMSH-OAHLLOKOSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CCO1 ZINC000662321912 720415353 /nfs/dbraw/zinc/41/53/53/720415353.db2.gz KUFZHYUHDFSMSH-OAHLLOKOSA-N 2 1 360.420 3.127 20 0 FGADMP CC(C)[NH+](CCCNC(=O)[C@@H]([NH3+])c1ccccc1Br)C(C)C ZINC000662485021 720433586 /nfs/dbraw/zinc/43/35/86/720433586.db2.gz DLSKHXZBPNJAHW-INIZCTEOSA-N 2 1 370.335 3.074 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512449 720436717 /nfs/dbraw/zinc/43/67/17/720436717.db2.gz JFGKMPAPKPAWIR-GVDBMIGSSA-N 2 1 355.885 3.117 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000662512449 720436720 /nfs/dbraw/zinc/43/67/20/720436720.db2.gz JFGKMPAPKPAWIR-GVDBMIGSSA-N 2 1 355.885 3.117 20 0 FGADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838055 720540643 /nfs/dbraw/zinc/54/06/43/720540643.db2.gz NTCSGWNWXPVVFI-NLWGTHIKSA-N 2 1 369.513 3.055 20 0 FGADMP CCOc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1 ZINC001164838056 720540941 /nfs/dbraw/zinc/54/09/41/720540941.db2.gz NTCSGWNWXPVVFI-QWFCFKBJSA-N 2 1 369.513 3.055 20 0 FGADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259564 720748026 /nfs/dbraw/zinc/74/80/26/720748026.db2.gz IXSDHZRRFBQLQL-SKWUIDRYSA-N 2 1 350.478 3.075 20 0 FGADMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1C(F)(F)F ZINC000666308206 720914465 /nfs/dbraw/zinc/91/44/65/720914465.db2.gz LTELTDGDKZGZPW-QGZVFWFLSA-N 2 1 355.448 3.226 20 0 FGADMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1C(F)(F)F ZINC000666308206 720914468 /nfs/dbraw/zinc/91/44/68/720914468.db2.gz LTELTDGDKZGZPW-QGZVFWFLSA-N 2 1 355.448 3.226 20 0 FGADMP COc1cc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000667107505 721031826 /nfs/dbraw/zinc/03/18/26/721031826.db2.gz YMVJYIXYFKXCAQ-AWEZNQCLSA-N 2 1 370.925 3.051 20 0 FGADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c1C ZINC000667280540 721065487 /nfs/dbraw/zinc/06/54/87/721065487.db2.gz KOVQSRIBWIKIDE-AWEZNQCLSA-N 2 1 354.926 3.350 20 0 FGADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1C ZINC000667280540 721065494 /nfs/dbraw/zinc/06/54/94/721065494.db2.gz KOVQSRIBWIKIDE-AWEZNQCLSA-N 2 1 354.926 3.350 20 0 FGADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)n1C ZINC000668158851 721247975 /nfs/dbraw/zinc/24/79/75/721247975.db2.gz BWHWDORLSILQBI-UHFFFAOYSA-N 2 1 365.319 3.055 20 0 FGADMP Cc1ncsc1-c1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000668176228 721249986 /nfs/dbraw/zinc/24/99/86/721249986.db2.gz NXCZBDQXJVBDHI-UHFFFAOYSA-N 2 1 360.571 3.434 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583623 721469019 /nfs/dbraw/zinc/46/90/19/721469019.db2.gz LKESMJXGPIHAHE-QZTJIDSGSA-N 2 1 366.937 3.164 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164909321 721539362 /nfs/dbraw/zinc/53/93/62/721539362.db2.gz RKLJYEKSEZXTBY-FXAWDEMLSA-N 2 1 371.456 3.350 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164909321 721539366 /nfs/dbraw/zinc/53/93/66/721539366.db2.gz RKLJYEKSEZXTBY-FXAWDEMLSA-N 2 1 371.456 3.350 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734149 721771146 /nfs/dbraw/zinc/77/11/46/721771146.db2.gz XPQMKPWTYFXJHJ-HBUWYVDXSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734149 721771150 /nfs/dbraw/zinc/77/11/50/721771150.db2.gz XPQMKPWTYFXJHJ-HBUWYVDXSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734149 721771152 /nfs/dbraw/zinc/77/11/52/721771152.db2.gz XPQMKPWTYFXJHJ-HBUWYVDXSA-N 2 1 373.324 3.149 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734148 721771252 /nfs/dbraw/zinc/77/12/52/721771252.db2.gz XPQMKPWTYFXJHJ-GLJUWKHASA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734148 721771253 /nfs/dbraw/zinc/77/12/53/721771253.db2.gz XPQMKPWTYFXJHJ-GLJUWKHASA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@@H]21 ZINC000675734148 721771255 /nfs/dbraw/zinc/77/12/55/721771255.db2.gz XPQMKPWTYFXJHJ-GLJUWKHASA-N 2 1 373.324 3.149 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C)[nH+]1 ZINC001165019727 721824756 /nfs/dbraw/zinc/82/47/56/721824756.db2.gz BIOOBQHCFJFNAP-DFQSSKMNSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(C)[nH+]1 ZINC001165019727 721824758 /nfs/dbraw/zinc/82/47/58/721824758.db2.gz BIOOBQHCFJFNAP-DFQSSKMNSA-N 2 1 365.525 3.479 20 0 FGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801357 721916482 /nfs/dbraw/zinc/91/64/82/721916482.db2.gz KJGMHUKFSSUJEB-GOSISDBHSA-N 2 1 366.347 3.049 20 0 FGADMP C[N@@H+](Cc1ccccc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801667 721916499 /nfs/dbraw/zinc/91/64/99/721916499.db2.gz ZDDWMPPQZFBAGH-QGZVFWFLSA-N 2 1 355.448 3.306 20 0 FGADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000678607636 721967303 /nfs/dbraw/zinc/96/73/03/721967303.db2.gz NMCNPUBPQHXAJM-PDWMJMLSSA-N 2 1 351.897 3.441 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](OC)C3)CC2)cs1 ZINC000684380509 722339071 /nfs/dbraw/zinc/33/90/71/722339071.db2.gz PDDTYYPKJHWCIH-WMZOPIPTSA-N 2 1 351.560 3.465 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000721140144 722419753 /nfs/dbraw/zinc/41/97/53/722419753.db2.gz OOURFCFUTSIVBM-BRSBDYLESA-N 2 1 351.535 3.096 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345401 722725303 /nfs/dbraw/zinc/72/53/03/722725303.db2.gz AJJZYRNJYSZGIJ-LPWQTFTOSA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345401 722725304 /nfs/dbraw/zinc/72/53/04/722725304.db2.gz AJJZYRNJYSZGIJ-LPWQTFTOSA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000749345401 722725305 /nfs/dbraw/zinc/72/53/05/722725305.db2.gz AJJZYRNJYSZGIJ-LPWQTFTOSA-N 2 1 368.949 3.441 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000750734336 722779323 /nfs/dbraw/zinc/77/93/23/722779323.db2.gz DFILWRDOJJHKHP-TUPIDYKKSA-N 2 1 369.962 3.289 20 0 FGADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cc(F)ccc1N1CCC(O)CC1 ZINC000755047858 722949649 /nfs/dbraw/zinc/94/96/49/722949649.db2.gz KJCUYQNAIQEHHS-INIZCTEOSA-N 2 1 351.510 3.169 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cnc1Cl ZINC000760654416 723076234 /nfs/dbraw/zinc/07/62/34/723076234.db2.gz GWDGSNLTTYLHSY-INIZCTEOSA-N 2 1 364.946 3.183 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000763618037 723356080 /nfs/dbraw/zinc/35/60/80/723356080.db2.gz ZFSJABXKAKXIGI-GOSISDBHSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnc(Cl)c1 ZINC000765680225 723532357 /nfs/dbraw/zinc/53/23/57/723532357.db2.gz AYKAHCKVSNGDPX-LPHOPBHVSA-N 2 1 358.917 3.374 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)[C@H](C)C1 ZINC000773133643 723777317 /nfs/dbraw/zinc/77/73/17/723777317.db2.gz HLLYHHNYLKGNAY-MDMSPXHWSA-N 2 1 358.617 3.093 20 0 FGADMP C[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000797981650 723894917 /nfs/dbraw/zinc/89/49/17/723894917.db2.gz SDEZEVVVBYUREZ-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000774992825 723949347 /nfs/dbraw/zinc/94/93/47/723949347.db2.gz UVKKNPDQIMIWOZ-QGZVFWFLSA-N 2 1 355.320 3.084 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000800371727 724187984 /nfs/dbraw/zinc/18/79/84/724187984.db2.gz FILMHHAJJCRGSP-IPELMVKDSA-N 2 1 354.922 3.100 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)[C@H](C)C1 ZINC000806139319 725117831 /nfs/dbraw/zinc/11/78/31/725117831.db2.gz NUSOADUSPFDRNZ-PVAVHDDUSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)[C@H](C)C1 ZINC000806139319 725117832 /nfs/dbraw/zinc/11/78/32/725117832.db2.gz NUSOADUSPFDRNZ-PVAVHDDUSA-N 2 1 351.922 3.449 20 0 FGADMP CC(C)C[C@@H](C[N@H+]1CCCC12CC[NH+](C)CC2)NC(=O)OC(C)(C)C ZINC000811494583 725369513 /nfs/dbraw/zinc/36/95/13/725369513.db2.gz YAODGOJIPFXZLB-KRWDZBQOSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143186 727044342 /nfs/dbraw/zinc/04/43/42/727044342.db2.gz GJQILTJMRZLCSZ-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143186 727044345 /nfs/dbraw/zinc/04/43/45/727044345.db2.gz GJQILTJMRZLCSZ-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143186 727044348 /nfs/dbraw/zinc/04/43/48/727044348.db2.gz GJQILTJMRZLCSZ-FXAWDEMLSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2ccnc2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817294183 727237609 /nfs/dbraw/zinc/23/76/09/727237609.db2.gz VGPXPWFADPRBFY-BRWVUGGUSA-N 2 1 350.507 3.144 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817981971 727290392 /nfs/dbraw/zinc/29/03/92/727290392.db2.gz AKNIPQJXXXMIIA-LRVUVFPRSA-N 2 1 371.356 3.443 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1F ZINC000818963629 727331295 /nfs/dbraw/zinc/33/12/95/727331295.db2.gz WCMZNTZOPAACSL-KEYYUXOJSA-N 2 1 371.294 3.012 20 0 FGADMP CO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000871785025 735545873 /nfs/dbraw/zinc/54/58/73/735545873.db2.gz NZPFCANSDDFOMM-CVGRLMLNSA-N 2 1 351.878 3.399 20 0 FGADMP CO[C@H](CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000871785025 735545877 /nfs/dbraw/zinc/54/58/77/735545877.db2.gz NZPFCANSDDFOMM-CVGRLMLNSA-N 2 1 351.878 3.399 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823596823 729291408 /nfs/dbraw/zinc/29/14/08/729291408.db2.gz WEUBEHDAUSLGQO-UWVAXJGDSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428544 729337730 /nfs/dbraw/zinc/33/77/30/729337730.db2.gz TXBRQKUDCBQSPK-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428544 729337732 /nfs/dbraw/zinc/33/77/32/729337732.db2.gz TXBRQKUDCBQSPK-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000828054033 729439296 /nfs/dbraw/zinc/43/92/96/729439296.db2.gz NZURLDKFYSAVNH-MRXNPFEDSA-N 2 1 366.937 3.055 20 0 FGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508750 729808558 /nfs/dbraw/zinc/80/85/58/729808558.db2.gz QGJVHUTVIFZPAZ-KBAYOESNSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566839 729814861 /nfs/dbraw/zinc/81/48/61/729814861.db2.gz TZSOQRRCVJNVTH-BFYDXBDKSA-N 2 1 350.507 3.205 20 0 FGADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895103 729844670 /nfs/dbraw/zinc/84/46/70/729844670.db2.gz YRKVBFWIFCJFOY-PYWTVGQWSA-N 2 1 351.535 3.379 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1ccccc1I)C1CC1 ZINC000835061262 729854314 /nfs/dbraw/zinc/85/43/14/729854314.db2.gz GQKJBWKYLGWKFQ-UHFFFAOYSA-N 2 1 358.267 3.255 20 0 FGADMP C[N@H+](CC(=O)OCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCSC1 ZINC000840394622 730142046 /nfs/dbraw/zinc/14/20/46/730142046.db2.gz GCAHABWEYNYDAN-LJQANCHMSA-N 2 1 362.539 3.153 20 0 FGADMP C[N@@H+](CC(=O)OCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCSC1 ZINC000840394622 730142054 /nfs/dbraw/zinc/14/20/54/730142054.db2.gz GCAHABWEYNYDAN-LJQANCHMSA-N 2 1 362.539 3.153 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1SC(F)F ZINC000842473352 730506579 /nfs/dbraw/zinc/50/65/79/730506579.db2.gz YLQJOAMEFBZNBR-CQSZACIVSA-N 2 1 369.481 3.404 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@@H+](C)C3CCC([NH3+])CC3)cs2)c1 ZINC000843354869 730609758 /nfs/dbraw/zinc/60/97/58/730609758.db2.gz IJXBIWQXLYAOSS-UHFFFAOYSA-N 2 1 359.495 3.298 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@@H+](C)C3CCC([NH3+])CC3)cs2)cc1 ZINC000843354916 730610018 /nfs/dbraw/zinc/61/00/18/730610018.db2.gz LGSAYFIDTRKCDK-UHFFFAOYSA-N 2 1 359.495 3.298 20 0 FGADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(C(F)(F)F)c1 ZINC000843364598 730610823 /nfs/dbraw/zinc/61/08/23/730610823.db2.gz KFBPPBZFXHSFOX-UHFFFAOYSA-N 2 1 355.404 3.110 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1c(Cl)cccc1Cl ZINC000848534215 731177306 /nfs/dbraw/zinc/17/73/06/731177306.db2.gz PTLIBJSIEQLXRG-WMLDXEAASA-N 2 1 373.324 3.260 20 0 FGADMP CC(C)Oc1ccc(NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000849275548 731240558 /nfs/dbraw/zinc/24/05/58/731240558.db2.gz SDZSINRYPWMHNY-INIZCTEOSA-N 2 1 366.575 3.032 20 0 FGADMP CC(C)Oc1ccc(NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000849275548 731240559 /nfs/dbraw/zinc/24/05/59/731240559.db2.gz SDZSINRYPWMHNY-INIZCTEOSA-N 2 1 366.575 3.032 20 0 FGADMP COc1ccc(Cl)cc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000850357195 731348035 /nfs/dbraw/zinc/34/80/35/731348035.db2.gz AKSGGQBCFYCIRN-LJQANCHMSA-N 2 1 360.885 3.205 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[S@@](=O)CC(F)(F)F)cc1 ZINC000850492938 731363626 /nfs/dbraw/zinc/36/36/26/731363626.db2.gz UBZLHUJTKPFMAL-OIRASMEMSA-N 2 1 359.417 3.142 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241458 731686722 /nfs/dbraw/zinc/68/67/22/731686722.db2.gz VMURLYDJISTQDW-FGTMMUONSA-N 2 1 351.535 3.144 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857782725 732160278 /nfs/dbraw/zinc/16/02/78/732160278.db2.gz BHGUHHHQWPXWBJ-UHFFFAOYSA-N 2 1 357.889 3.267 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000857912903 732169076 /nfs/dbraw/zinc/16/90/76/732169076.db2.gz PWJVHDIEGJZMFT-MRXNPFEDSA-N 2 1 360.889 3.238 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)CC1(C)C ZINC000858168195 732188291 /nfs/dbraw/zinc/18/82/91/732188291.db2.gz GSNYAGMGSNMVPA-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000858500237 732220889 /nfs/dbraw/zinc/22/08/89/732220889.db2.gz YZGQURFCVAAJCH-RZFLPCETSA-N 2 1 351.535 3.237 20 0 FGADMP NC(CCC(F)(F)F)=[NH+]OC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000863491254 732970409 /nfs/dbraw/zinc/97/04/09/732970409.db2.gz XWTZQLPHCLYFMD-HNNXBMFYSA-N 2 1 359.392 3.118 20 0 FGADMP NC(CCC(F)(F)F)=[NH+]OC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000863491254 732970413 /nfs/dbraw/zinc/97/04/13/732970413.db2.gz XWTZQLPHCLYFMD-HNNXBMFYSA-N 2 1 359.392 3.118 20 0 FGADMP CC(C)(C)c1csc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000865623941 733240110 /nfs/dbraw/zinc/24/01/10/733240110.db2.gz UKRMOCCBCLWJKZ-QGZVFWFLSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1csc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000865623941 733240114 /nfs/dbraw/zinc/24/01/14/733240114.db2.gz UKRMOCCBCLWJKZ-QGZVFWFLSA-N 2 1 359.539 3.297 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865820241 733275601 /nfs/dbraw/zinc/27/56/01/733275601.db2.gz CEBWLRMNXCWTDO-RDJZCZTQSA-N 2 1 353.551 3.484 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911039 733901480 /nfs/dbraw/zinc/90/14/80/733901480.db2.gz PYUJYBWPUIILRG-TXPWEPMLSA-N 2 1 367.896 3.106 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCOC3(CCCC3)C2)c2cccs2)CC1 ZINC000872016956 735576674 /nfs/dbraw/zinc/57/66/74/735576674.db2.gz RGDGYCKHBXNSMS-ROUUACIJSA-N 2 1 363.571 3.118 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872147798 735595098 /nfs/dbraw/zinc/59/50/98/735595098.db2.gz DKUFIGWDJMHYGB-MFKMUULPSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872147798 735595099 /nfs/dbraw/zinc/59/50/99/735595099.db2.gz DKUFIGWDJMHYGB-MFKMUULPSA-N 2 1 356.310 3.153 20 0 FGADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231769 735740897 /nfs/dbraw/zinc/74/08/97/735740897.db2.gz DCCZCTPOWPYDBM-QAPCUYQASA-N 2 1 350.576 3.324 20 0 FGADMP O=c1c(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)cccn1C(F)F ZINC000876993917 736172777 /nfs/dbraw/zinc/17/27/77/736172777.db2.gz WATZTRRBLZSAHD-UHFFFAOYSA-N 2 1 353.457 3.378 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584494 736688390 /nfs/dbraw/zinc/68/83/90/736688390.db2.gz GFXIWMUYEVIQRJ-XSLAGTTESA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000878864807 736926870 /nfs/dbraw/zinc/92/68/70/736926870.db2.gz AQKPAUHRWJCDGQ-UHFFFAOYSA-N 2 1 369.481 3.358 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccccc3SC(F)F)C2)CC1 ZINC000878864807 736926872 /nfs/dbraw/zinc/92/68/72/736926872.db2.gz AQKPAUHRWJCDGQ-UHFFFAOYSA-N 2 1 369.481 3.358 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCc2ccccc2Br)C1 ZINC000883435586 737566476 /nfs/dbraw/zinc/56/64/76/737566476.db2.gz WRRBBYRSPMFGCF-NJAFHUGGSA-N 2 1 367.331 3.352 20 0 FGADMP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000885977136 739205739 /nfs/dbraw/zinc/20/57/39/739205739.db2.gz FFGZFSQWUPLCSF-VQTJNVASSA-N 2 1 350.547 3.349 20 0 FGADMP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000885977137 739205969 /nfs/dbraw/zinc/20/59/69/739205969.db2.gz FFGZFSQWUPLCSF-WOJBJXKFSA-N 2 1 350.547 3.349 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)[C@@H]1c1cccs1 ZINC000885999301 739208378 /nfs/dbraw/zinc/20/83/78/739208378.db2.gz HCHCTEGRDNQVQC-ZIFCJYIRSA-N 2 1 364.555 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCOC3(CCOCC3)C2)[C@@H]1c1cccs1 ZINC000885999301 739208379 /nfs/dbraw/zinc/20/83/79/739208379.db2.gz HCHCTEGRDNQVQC-ZIFCJYIRSA-N 2 1 364.555 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@@H]([NH3+])C2)[C@H]1c1cccs1 ZINC000891596623 739919495 /nfs/dbraw/zinc/91/94/95/739919495.db2.gz DOUVYEREMGIGHH-NUJGCVRESA-N 2 1 364.559 3.044 20 0 FGADMP F[C@H]1CC2(CC[C@@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)OCCO2 ZINC000892775597 740042136 /nfs/dbraw/zinc/04/21/36/740042136.db2.gz XLKBEKKRRCMQDW-OALUTQOASA-N 2 1 354.510 3.254 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000897469162 742681506 /nfs/dbraw/zinc/68/15/06/742681506.db2.gz FEAHRAQVIWCOGM-KSSFIOAISA-N 2 1 367.331 3.396 20 0 FGADMP C([NH2+][C@@H]1CCC[C@@H](C2CCOCC2)C1)C1([NH+]2CCCC2)CCOCC1 ZINC000902792834 743775890 /nfs/dbraw/zinc/77/58/90/743775890.db2.gz DNUHWHXLAHZVEU-WOJBJXKFSA-N 2 1 350.547 3.206 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(Br)cc1 ZINC000903216752 743823612 /nfs/dbraw/zinc/82/36/12/743823612.db2.gz HUYUDVMETPTDQB-NXCDMZCRSA-N 2 1 365.315 3.230 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Br)cc1 ZINC000903216752 743823613 /nfs/dbraw/zinc/82/36/13/743823613.db2.gz HUYUDVMETPTDQB-NXCDMZCRSA-N 2 1 365.315 3.230 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000903494308 743856625 /nfs/dbraw/zinc/85/66/25/743856625.db2.gz BOAUOXDFFIXHKD-GHMZBOCLSA-N 2 1 363.811 3.214 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCc2sc(C[NH3+])nc2C1 ZINC000903942272 743902227 /nfs/dbraw/zinc/90/22/27/743902227.db2.gz LXXVKRNMGAQPRC-UHFFFAOYSA-N 2 1 358.555 3.118 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371864 743949916 /nfs/dbraw/zinc/94/99/16/743949916.db2.gz VGFVTFVBZAKLEX-FJIDUMEYSA-N 2 1 351.535 3.225 20 0 FGADMP CC1CC[NH+](Cc2ccc(-c3noc(C[C@@H]([NH3+])C(F)F)n3)cc2)CC1 ZINC000904666706 743967466 /nfs/dbraw/zinc/96/74/66/743967466.db2.gz UCMVEVVAFMSMEQ-OAHLLOKOSA-N 2 1 350.413 3.103 20 0 FGADMP CC[C@@](O)(C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074332 743991488 /nfs/dbraw/zinc/99/14/88/743991488.db2.gz GQXYJUYOFFHFGO-UKRRQHHQSA-N 2 1 350.450 3.253 20 0 FGADMP CC[C@@](O)(C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074332 743991491 /nfs/dbraw/zinc/99/14/91/743991491.db2.gz GQXYJUYOFFHFGO-UKRRQHHQSA-N 2 1 350.450 3.253 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(F)(F)F ZINC000905135130 743995496 /nfs/dbraw/zinc/99/54/96/743995496.db2.gz VJMQSXMIBFGMRG-CFVMTHIKSA-N 2 1 350.450 3.424 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(F)(F)F ZINC000905135130 743995500 /nfs/dbraw/zinc/99/55/00/743995500.db2.gz VJMQSXMIBFGMRG-CFVMTHIKSA-N 2 1 350.450 3.424 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000918124414 758305527 /nfs/dbraw/zinc/30/55/27/758305527.db2.gz NPLJNFVQRPGTFS-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000919861508 758483004 /nfs/dbraw/zinc/48/30/04/758483004.db2.gz XVKHTEMBQUZWRZ-HWKANZROSA-N 2 1 362.886 3.200 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388222 758910171 /nfs/dbraw/zinc/91/01/71/758910171.db2.gz NOGKSPHJYYJBDP-SOAMZJECSA-N 2 1 363.571 3.370 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@H]1C(C)C ZINC000922395635 758914663 /nfs/dbraw/zinc/91/46/63/758914663.db2.gz XUCSLZOVPGLCDX-SZXPJGKVSA-N 2 1 372.340 3.348 20 0 FGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl)C1CCCCC1 ZINC000923373716 759106811 /nfs/dbraw/zinc/10/68/11/759106811.db2.gz PBSREWXKAKRJRK-CJNGLKHVSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000923486826 759129122 /nfs/dbraw/zinc/12/91/22/759129122.db2.gz KFOKQFUXUGHHME-UZLBHIALSA-N 2 1 357.523 3.015 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c1OC ZINC000923498772 759132033 /nfs/dbraw/zinc/13/20/33/759132033.db2.gz PVSXTJMVQMLPJD-UONOGXRCSA-N 2 1 361.511 3.244 20 0 FGADMP C[C@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926702590 759807168 /nfs/dbraw/zinc/80/71/68/759807168.db2.gz OUVWTGNJQHDALP-INIZCTEOSA-N 2 1 352.544 3.146 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881104 759836691 /nfs/dbraw/zinc/83/66/91/759836691.db2.gz SPHUJNBLWXGACN-GNVJSZRZSA-N 2 1 363.933 3.182 20 0 FGADMP C[C@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(C[NH+](C)C)c1 ZINC000926882682 759838026 /nfs/dbraw/zinc/83/80/26/759838026.db2.gz VQYMOABUIHSWQA-LBPRGKRZSA-N 2 1 351.292 3.095 20 0 FGADMP Cc1c(Br)cccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000926910421 759844893 /nfs/dbraw/zinc/84/48/93/759844893.db2.gz HOHUUABPDJKFTI-KRWDZBQOSA-N 2 1 367.331 3.143 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061140 760519662 /nfs/dbraw/zinc/51/96/62/760519662.db2.gz QQYVPNXDHKCMGH-UJWQCDCRSA-N 2 1 350.453 3.219 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1[C@@H](c2ccccc2)C1(F)F ZINC000930061140 760519667 /nfs/dbraw/zinc/51/96/67/760519667.db2.gz QQYVPNXDHKCMGH-UJWQCDCRSA-N 2 1 350.453 3.219 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000969707566 762861848 /nfs/dbraw/zinc/86/18/48/762861848.db2.gz BLVKQFCZTKFDES-MDASCCDHSA-N 2 1 363.571 3.032 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3csc(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995837300 764971736 /nfs/dbraw/zinc/97/17/36/764971736.db2.gz DBBHXKOMMOBGTA-RCCFBDPRSA-N 2 1 363.571 3.113 20 0 FGADMP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(Cl)c1 ZINC000996607457 765020785 /nfs/dbraw/zinc/02/07/85/765020785.db2.gz ORJBHSIRVBVHPS-CRAIPNDOSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[NH+](Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001000706267 765235821 /nfs/dbraw/zinc/23/58/21/765235821.db2.gz ZRPHLYLZPKUAGC-RBUKOAKNSA-N 2 1 361.555 3.035 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@H+](Cc3csc(C)c3)CC2)CC[NH+]1C ZINC001000706267 765235827 /nfs/dbraw/zinc/23/58/27/765235827.db2.gz ZRPHLYLZPKUAGC-RBUKOAKNSA-N 2 1 361.555 3.035 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2=CC[N@@H+](Cc3csc(C)c3)CC2)CC[NH+]1C ZINC001000706267 765235835 /nfs/dbraw/zinc/23/58/35/765235835.db2.gz ZRPHLYLZPKUAGC-RBUKOAKNSA-N 2 1 361.555 3.035 20 0 FGADMP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(F)c(Cl)c1 ZINC001020172992 765866970 /nfs/dbraw/zinc/86/69/70/765866970.db2.gz MSEANGPQYIPUAF-CCECPURYSA-N 2 1 367.896 3.117 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001023990879 766047352 /nfs/dbraw/zinc/04/73/52/766047352.db2.gz IOHFUIIRAPISGP-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001023993930 766047754 /nfs/dbraw/zinc/04/77/54/766047754.db2.gz UJXRRHYUVOZWHA-HHXXYDBFSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2CCC([NH2+]Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001026496042 766074249 /nfs/dbraw/zinc/07/42/49/766074249.db2.gz GVFSHMCRXSNKOQ-YOODTLSXSA-N 2 1 363.933 3.197 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001028552028 766124261 /nfs/dbraw/zinc/12/42/61/766124261.db2.gz DRSIETRGODVZMX-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001028552028 766124269 /nfs/dbraw/zinc/12/42/69/766124269.db2.gz DRSIETRGODVZMX-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001028552028 766124274 /nfs/dbraw/zinc/12/42/74/766124274.db2.gz DRSIETRGODVZMX-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001033096422 766206278 /nfs/dbraw/zinc/20/62/78/766206278.db2.gz MLKIUPIWHBSPLL-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001033096422 766206285 /nfs/dbraw/zinc/20/62/85/766206285.db2.gz MLKIUPIWHBSPLL-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001033096422 766206287 /nfs/dbraw/zinc/20/62/87/766206287.db2.gz MLKIUPIWHBSPLL-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555313 257380266 /nfs/dbraw/zinc/38/02/66/257380266.db2.gz FLQSRXSSCODFFR-UIFIKXQLSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)C[C@H](C)O1 ZINC000570800531 505583762 /nfs/dbraw/zinc/58/37/62/505583762.db2.gz RTAUKIUOPPGEDS-HOTGVXAUSA-N 2 1 365.477 3.151 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000570839862 505592590 /nfs/dbraw/zinc/59/25/90/505592590.db2.gz PEQUILKREUUNQL-HKUYNNGSSA-N 2 1 372.538 3.089 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712888 505601833 /nfs/dbraw/zinc/60/18/33/505601833.db2.gz FYAOKDUXZWVHCN-HNNXBMFYSA-N 2 1 353.457 3.251 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C[C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746175 505609780 /nfs/dbraw/zinc/60/97/80/505609780.db2.gz PSJKFYPVVHFULD-VQTJNVASSA-N 2 1 360.567 3.258 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000576892324 505618041 /nfs/dbraw/zinc/61/80/41/505618041.db2.gz CLAJRMQRQNRVDM-RTBURBONSA-N 2 1 355.482 3.133 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000576892324 505618045 /nfs/dbraw/zinc/61/80/45/505618045.db2.gz CLAJRMQRQNRVDM-RTBURBONSA-N 2 1 355.482 3.133 20 0 FGADMP c1ncn(Cc2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2)n1 ZINC000075756560 493775502 /nfs/dbraw/zinc/77/55/02/493775502.db2.gz OFQFMLZIJYKXAI-UHFFFAOYSA-N 2 1 361.493 3.081 20 0 FGADMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835839 493784710 /nfs/dbraw/zinc/78/47/10/493784710.db2.gz FTCWWLKEOYWXBC-UXHICEINSA-N 2 1 360.542 3.358 20 0 FGADMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835839 493784715 /nfs/dbraw/zinc/78/47/15/493784715.db2.gz FTCWWLKEOYWXBC-UXHICEINSA-N 2 1 360.542 3.358 20 0 FGADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120281 493827210 /nfs/dbraw/zinc/82/72/10/493827210.db2.gz QGGSXBVKOQDNIK-LPHOPBHVSA-N 2 1 361.530 3.350 20 0 FGADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000076120281 493827215 /nfs/dbraw/zinc/82/72/15/493827215.db2.gz QGGSXBVKOQDNIK-LPHOPBHVSA-N 2 1 361.530 3.350 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000081248580 493852279 /nfs/dbraw/zinc/85/22/79/493852279.db2.gz SZCARIAOFCZQAZ-UHFFFAOYSA-N 2 1 354.498 3.309 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000061521253 493981590 /nfs/dbraw/zinc/98/15/90/493981590.db2.gz RXXIAXXPRXZYSL-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OCc1cccnc1 ZINC000062426957 494012324 /nfs/dbraw/zinc/01/23/24/494012324.db2.gz FRTOOTLXYBNTOC-IBGZPJMESA-N 2 1 369.509 3.489 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000084089730 494048035 /nfs/dbraw/zinc/04/80/35/494048035.db2.gz VPDAPSAYIWWJLF-BHIYHBOVSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000084089730 494048043 /nfs/dbraw/zinc/04/80/43/494048043.db2.gz VPDAPSAYIWWJLF-BHIYHBOVSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000084089730 494048045 /nfs/dbraw/zinc/04/80/45/494048045.db2.gz VPDAPSAYIWWJLF-BHIYHBOVSA-N 2 1 359.539 3.376 20 0 FGADMP CN(C)C(=O)Sc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000084089730 494048051 /nfs/dbraw/zinc/04/80/51/494048051.db2.gz VPDAPSAYIWWJLF-BHIYHBOVSA-N 2 1 359.539 3.376 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000580184721 505698494 /nfs/dbraw/zinc/69/84/94/505698494.db2.gz QFAYQJKTYOJJOW-HNNXBMFYSA-N 2 1 353.457 3.395 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000039971515 494125234 /nfs/dbraw/zinc/12/52/34/494125234.db2.gz LLVSLUOCCWUTDQ-UHFFFAOYSA-N 2 1 355.448 3.309 20 0 FGADMP CC(C)(CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCC1 ZINC000053964773 494179690 /nfs/dbraw/zinc/17/96/90/494179690.db2.gz VPONAGLQWXQWEP-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cc(C)cc(C)c2)CC1 ZINC000072694670 494235342 /nfs/dbraw/zinc/23/53/42/494235342.db2.gz HBVOCOAVTQWGGL-UHFFFAOYSA-N 2 1 361.530 3.065 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000054510333 494242344 /nfs/dbraw/zinc/24/23/44/494242344.db2.gz DNMFMDXAQGJNJU-ICSRJNTNSA-N 2 1 360.546 3.101 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000042929577 494252454 /nfs/dbraw/zinc/25/24/54/494252454.db2.gz FDIQVKXFAFQRPM-MOPGFXCFSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1)c1ccco1 ZINC000055171841 494310220 /nfs/dbraw/zinc/31/02/20/494310220.db2.gz GRUQICVVQBOBQC-IBGZPJMESA-N 2 1 355.482 3.298 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@@H]21 ZINC000568512103 505712843 /nfs/dbraw/zinc/71/28/43/505712843.db2.gz FXPGKAWOLMONGM-KVPRVUCYSA-N 2 1 368.308 3.158 20 0 FGADMP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000044276721 494346497 /nfs/dbraw/zinc/34/64/97/494346497.db2.gz ZDQCHWFJHJWHCO-KRWDZBQOSA-N 2 1 366.509 3.317 20 0 FGADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1cccc(Br)c1)C1CC1 ZINC000574193447 505716469 /nfs/dbraw/zinc/71/64/69/505716469.db2.gz WAQMJVAPCFXPRL-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074104302 494482028 /nfs/dbraw/zinc/48/20/28/494482028.db2.gz WVOJFJFJMKFZSQ-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000074104302 494482032 /nfs/dbraw/zinc/48/20/32/494482032.db2.gz WVOJFJFJMKFZSQ-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000074104302 494482036 /nfs/dbraw/zinc/48/20/36/494482036.db2.gz WVOJFJFJMKFZSQ-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000079613000 494493164 /nfs/dbraw/zinc/49/31/64/494493164.db2.gz QWGXQMCMBDAAJY-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000090964946 494506926 /nfs/dbraw/zinc/50/69/26/494506926.db2.gz LNWDUROBYOKIOZ-OAQYLSRUSA-N 2 1 366.505 3.295 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000074323721 494519900 /nfs/dbraw/zinc/51/99/00/494519900.db2.gz CVWXJHSWYAGEFV-KRWDZBQOSA-N 2 1 369.509 3.298 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000079985159 494562344 /nfs/dbraw/zinc/56/23/44/494562344.db2.gz OLUSFYSPNUSQCI-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000107717537 494592123 /nfs/dbraw/zinc/59/21/23/494592123.db2.gz XQBPVHDRDDOCLM-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000107841522 494609800 /nfs/dbraw/zinc/60/98/00/494609800.db2.gz YBAHIYOMFLCLHW-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP C[NH+](CCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)C1CCCCC1 ZINC000074851418 494623524 /nfs/dbraw/zinc/62/35/24/494623524.db2.gz FUQCUPHQKPSJCP-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000074851418 494623531 /nfs/dbraw/zinc/62/35/31/494623531.db2.gz FUQCUPHQKPSJCP-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000074851418 494623537 /nfs/dbraw/zinc/62/35/37/494623537.db2.gz FUQCUPHQKPSJCP-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000121312899 494694778 /nfs/dbraw/zinc/69/47/78/494694778.db2.gz ONJNZPJICVXLMZ-QFIPXVFZSA-N 2 1 365.521 3.419 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](CC3CCCCC3)CC2)C1 ZINC000108410321 494700654 /nfs/dbraw/zinc/70/06/54/494700654.db2.gz DBDJYVIIMXLCLK-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000108410321 494700659 /nfs/dbraw/zinc/70/06/59/494700659.db2.gz DBDJYVIIMXLCLK-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000108410321 494700670 /nfs/dbraw/zinc/70/06/70/494700670.db2.gz DBDJYVIIMXLCLK-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)s1 ZINC000108420670 494703514 /nfs/dbraw/zinc/70/35/14/494703514.db2.gz RDKSOVUKPBNLDL-SFHVURJKSA-N 2 1 357.523 3.044 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[NH+](C)C2)C1 ZINC000108549653 494735235 /nfs/dbraw/zinc/73/52/35/494735235.db2.gz INQNZZAAIKMCOM-OALUTQOASA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000108549653 494735244 /nfs/dbraw/zinc/73/52/44/494735244.db2.gz INQNZZAAIKMCOM-OALUTQOASA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000108549653 494735255 /nfs/dbraw/zinc/73/52/55/494735255.db2.gz INQNZZAAIKMCOM-OALUTQOASA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000108549560 494735422 /nfs/dbraw/zinc/73/54/22/494735422.db2.gz VGNPQBPWTBIBBT-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108549560 494735434 /nfs/dbraw/zinc/73/54/34/494735434.db2.gz VGNPQBPWTBIBBT-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108549560 494735445 /nfs/dbraw/zinc/73/54/45/494735445.db2.gz VGNPQBPWTBIBBT-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP Cc1cc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)ccc1F ZINC000121398453 494737588 /nfs/dbraw/zinc/73/75/88/494737588.db2.gz XXGBUEGVBYOPQP-UHFFFAOYSA-N 2 1 358.461 3.492 20 0 FGADMP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821608 494762733 /nfs/dbraw/zinc/76/27/33/494762733.db2.gz YUFHGXAGRZBXCZ-HNNXBMFYSA-N 2 1 373.526 3.104 20 0 FGADMP COC(=O)c1ccoc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821116 494763088 /nfs/dbraw/zinc/76/30/88/494763088.db2.gz WFIXSSVAJXMIMQ-UHFFFAOYSA-N 2 1 357.454 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)NC3CC[NH+](C)CC3)cc2)C1 ZINC000047886756 494787647 /nfs/dbraw/zinc/78/76/47/494787647.db2.gz CKIKBZCSIKFXSC-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000108812517 494791211 /nfs/dbraw/zinc/79/12/11/494791211.db2.gz WMWOMEOCHMCJTL-TWMKSMIVSA-N 2 1 366.575 3.016 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000126629848 494805317 /nfs/dbraw/zinc/80/53/17/494805317.db2.gz QEJCYJWSQJYPHI-UHFFFAOYSA-N 2 1 374.554 3.104 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nnc3n2CCCCC3)cc1 ZINC000126635818 494807015 /nfs/dbraw/zinc/80/70/15/494807015.db2.gz HSYPYXWGLMPLNW-INIZCTEOSA-N 2 1 364.497 3.392 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000568642558 505743271 /nfs/dbraw/zinc/74/32/71/505743271.db2.gz PYRRKWLHTIPGOT-FSSWDIPSSA-N 3 1 357.542 3.124 20 0 FGADMP CN1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000568642558 505743274 /nfs/dbraw/zinc/74/32/74/505743274.db2.gz PYRRKWLHTIPGOT-FSSWDIPSSA-N 2 1 357.542 3.124 20 0 FGADMP C[N@@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000568642558 505743277 /nfs/dbraw/zinc/74/32/77/505743277.db2.gz PYRRKWLHTIPGOT-FSSWDIPSSA-N 2 1 357.542 3.124 20 0 FGADMP C[N@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000568642558 505743283 /nfs/dbraw/zinc/74/32/83/505743283.db2.gz PYRRKWLHTIPGOT-FSSWDIPSSA-N 2 1 357.542 3.124 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1F ZINC000126672959 494817346 /nfs/dbraw/zinc/81/73/46/494817346.db2.gz WQCJYCHOOGZIEF-QGZVFWFLSA-N 2 1 371.500 3.433 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CC2 ZINC000126675273 494817394 /nfs/dbraw/zinc/81/73/94/494817394.db2.gz WDPYZTWKEDFJEB-QHCPKHFHSA-N 2 1 365.521 3.220 20 0 FGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253626 494822575 /nfs/dbraw/zinc/82/25/75/494822575.db2.gz AQCRWIAGKPWCLR-HNNXBMFYSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OCC(F)(F)F ZINC000092253626 494822577 /nfs/dbraw/zinc/82/25/77/494822577.db2.gz AQCRWIAGKPWCLR-HNNXBMFYSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253626 494822580 /nfs/dbraw/zinc/82/25/80/494822580.db2.gz AQCRWIAGKPWCLR-HNNXBMFYSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000092253626 494822584 /nfs/dbraw/zinc/82/25/84/494822584.db2.gz AQCRWIAGKPWCLR-HNNXBMFYSA-N 2 1 360.420 3.410 20 0 FGADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OCc1ccncc1 ZINC000093088732 494824822 /nfs/dbraw/zinc/82/48/22/494824822.db2.gz UBWIYKKJYZQGDB-UHFFFAOYSA-N 2 1 369.509 3.443 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000121641632 494828128 /nfs/dbraw/zinc/82/81/28/494828128.db2.gz UKAUEDRXJPLGLO-WWMYMODYSA-N 2 1 361.530 3.433 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000093141723 494835056 /nfs/dbraw/zinc/83/50/56/494835056.db2.gz LYDDRDIYEVRDDL-YADHBBJMSA-N 2 1 369.553 3.056 20 0 FGADMP Cn1cncc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000577536759 505747257 /nfs/dbraw/zinc/74/72/57/505747257.db2.gz OWSANCLFKCCSSI-QEUVDIPISA-N 2 1 354.498 3.065 20 0 FGADMP Cn1cncc1[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000577536759 505747259 /nfs/dbraw/zinc/74/72/59/505747259.db2.gz OWSANCLFKCCSSI-QEUVDIPISA-N 2 1 354.498 3.065 20 0 FGADMP COc1cccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000121896017 494884089 /nfs/dbraw/zinc/88/40/89/494884089.db2.gz GPCNBGGXWRRNGQ-UHFFFAOYSA-N 2 1 359.514 3.222 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000580392831 505748202 /nfs/dbraw/zinc/74/82/02/505748202.db2.gz YYBBTMBGCWWUIT-MLCQCVOFSA-N 2 1 372.553 3.462 20 0 FGADMP CC(C)OCC[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093586668 494901977 /nfs/dbraw/zinc/90/19/77/494901977.db2.gz VTMSYTOSYJMLIY-UHFFFAOYSA-N 2 1 361.574 3.187 20 0 FGADMP CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC2 ZINC000093613965 494905573 /nfs/dbraw/zinc/90/55/73/494905573.db2.gz PLUMCOVXMLDYQU-LEWJYISDSA-N 2 1 374.569 3.397 20 0 FGADMP CCO[C@@H]1C[C@H](O)C12CC[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC2 ZINC000093613965 494905574 /nfs/dbraw/zinc/90/55/74/494905574.db2.gz PLUMCOVXMLDYQU-LEWJYISDSA-N 2 1 374.569 3.397 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000132922997 494943292 /nfs/dbraw/zinc/94/32/92/494943292.db2.gz MXHZHCYXUKVXRL-LSDHHAIUSA-N 2 1 354.441 3.440 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000127450063 494946104 /nfs/dbraw/zinc/94/61/04/494946104.db2.gz HITJRWDHDCYAMO-INIZCTEOSA-N 2 1 352.544 3.395 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000127450063 494946108 /nfs/dbraw/zinc/94/61/08/494946108.db2.gz HITJRWDHDCYAMO-INIZCTEOSA-N 2 1 352.544 3.395 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000127450306 494946232 /nfs/dbraw/zinc/94/62/32/494946232.db2.gz HITJRWDHDCYAMO-MRXNPFEDSA-N 2 1 352.544 3.395 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000127450306 494946233 /nfs/dbraw/zinc/94/62/33/494946233.db2.gz HITJRWDHDCYAMO-MRXNPFEDSA-N 2 1 352.544 3.395 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954573 /nfs/dbraw/zinc/95/45/73/494954573.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954578 /nfs/dbraw/zinc/95/45/78/494954578.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954583 /nfs/dbraw/zinc/95/45/83/494954583.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954586 /nfs/dbraw/zinc/95/45/86/494954586.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)[C@H](C)C1 ZINC000122301665 494954592 /nfs/dbraw/zinc/95/45/92/494954592.db2.gz AZVFMPRMALJRAY-DWQJTFDBSA-N 2 1 373.585 3.234 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000111505141 495083916 /nfs/dbraw/zinc/08/39/16/495083916.db2.gz ZHLZNQIFFKUGKY-WMZOPIPTSA-N 2 1 374.554 3.171 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101664722 495090238 /nfs/dbraw/zinc/09/02/38/495090238.db2.gz VMLNAAAXGKXYOH-MHORFTMASA-N 2 1 363.571 3.338 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101664722 495090243 /nfs/dbraw/zinc/09/02/43/495090243.db2.gz VMLNAAAXGKXYOH-MHORFTMASA-N 2 1 363.571 3.338 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101664722 495090247 /nfs/dbraw/zinc/09/02/47/495090247.db2.gz VMLNAAAXGKXYOH-MHORFTMASA-N 2 1 363.571 3.338 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccccc2)cc1 ZINC000119103141 495093488 /nfs/dbraw/zinc/09/34/88/495093488.db2.gz XPHIAEUCVGYNRO-QGZVFWFLSA-N 2 1 362.477 3.490 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000111685893 495095560 /nfs/dbraw/zinc/09/55/60/495095560.db2.gz BLQJRKNIOQSXMX-SFHVURJKSA-N 2 1 353.510 3.472 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000111685893 495095563 /nfs/dbraw/zinc/09/55/63/495095563.db2.gz BLQJRKNIOQSXMX-SFHVURJKSA-N 2 1 353.510 3.472 20 0 FGADMP CCn1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444841 505760811 /nfs/dbraw/zinc/76/08/11/505760811.db2.gz WQJFFQYTHLJQCV-FQEVSTJZSA-N 2 1 351.494 3.155 20 0 FGADMP CCn1cccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444841 505760812 /nfs/dbraw/zinc/76/08/12/505760812.db2.gz WQJFFQYTHLJQCV-FQEVSTJZSA-N 2 1 351.494 3.155 20 0 FGADMP CCn1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444841 505760813 /nfs/dbraw/zinc/76/08/13/505760813.db2.gz WQJFFQYTHLJQCV-FQEVSTJZSA-N 2 1 351.494 3.155 20 0 FGADMP CCn1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444841 505760814 /nfs/dbraw/zinc/76/08/14/505760814.db2.gz WQJFFQYTHLJQCV-FQEVSTJZSA-N 2 1 351.494 3.155 20 0 FGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1C(F)(F)F ZINC000134098111 495105408 /nfs/dbraw/zinc/10/54/08/495105408.db2.gz NXZAJTUBCSRRKM-UHFFFAOYSA-N 2 1 360.395 3.389 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cc(F)ccc1F ZINC000112542245 495202945 /nfs/dbraw/zinc/20/29/45/495202945.db2.gz DIVSCEPFXOUYDR-CQSZACIVSA-N 2 1 361.436 3.107 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)C ZINC000129302876 495226094 /nfs/dbraw/zinc/22/60/94/495226094.db2.gz ZOEHOHPKYYGFQL-AZUAARDMSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129426782 495243961 /nfs/dbraw/zinc/24/39/61/495243961.db2.gz CYKZQVNWYNXNJL-JXXFODFXSA-N 2 1 352.482 3.152 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000129458940 495248401 /nfs/dbraw/zinc/24/84/01/495248401.db2.gz YDLNBIDXMLBTKH-UHFFFAOYSA-N 2 1 354.494 3.466 20 0 FGADMP COc1cc(-c2noc(C[N@@H+]3CC[C@H](C)[C@H](n4ccnc4)C3)n2)ccc1C ZINC000129659158 495276459 /nfs/dbraw/zinc/27/64/59/495276459.db2.gz KTRJBOUUGGSCMV-WMLDXEAASA-N 2 1 367.453 3.333 20 0 FGADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)c2C1 ZINC000120007689 495287332 /nfs/dbraw/zinc/28/73/32/495287332.db2.gz QYCSFOZHZBQAGC-UHFFFAOYSA-N 2 1 371.525 3.386 20 0 FGADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3([NH+]4CCOCC4)CCCC3)c2C1 ZINC000120007689 495287336 /nfs/dbraw/zinc/28/73/36/495287336.db2.gz QYCSFOZHZBQAGC-UHFFFAOYSA-N 2 1 371.525 3.386 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124506110 495299002 /nfs/dbraw/zinc/29/90/02/495299002.db2.gz WWPAWKMESDBCEW-FGZHOGPDSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000124506110 495299004 /nfs/dbraw/zinc/29/90/04/495299004.db2.gz WWPAWKMESDBCEW-FGZHOGPDSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000124506110 495299006 /nfs/dbraw/zinc/29/90/06/495299006.db2.gz WWPAWKMESDBCEW-FGZHOGPDSA-N 2 1 371.569 3.383 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000105129875 495340176 /nfs/dbraw/zinc/34/01/76/495340176.db2.gz ZBDGJOLBJQTWGL-FPOVZHCZSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571625009 505776084 /nfs/dbraw/zinc/77/60/84/505776084.db2.gz RYRKCXTXKCUGRL-OALUTQOASA-N 2 1 372.557 3.331 20 0 FGADMP CCNC(=O)COc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000124887126 495359946 /nfs/dbraw/zinc/35/99/46/495359946.db2.gz QGYVOXDLHMAZEY-UHFFFAOYSA-N 2 1 373.541 3.088 20 0 FGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000136295273 495369909 /nfs/dbraw/zinc/36/99/09/495369909.db2.gz RZPJKMITYSBHHB-KRWDZBQOSA-N 2 1 368.525 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000136295273 495369914 /nfs/dbraw/zinc/36/99/14/495369914.db2.gz RZPJKMITYSBHHB-KRWDZBQOSA-N 2 1 368.525 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 ZINC000136295273 495369919 /nfs/dbraw/zinc/36/99/19/495369919.db2.gz RZPJKMITYSBHHB-KRWDZBQOSA-N 2 1 368.525 3.270 20 0 FGADMP CC1CC[NH+](Cc2ccc(NC(=O)C[N@H+](C)[C@H]3CCSC3)cc2)CC1 ZINC000136320110 495372015 /nfs/dbraw/zinc/37/20/15/495372015.db2.gz VHSQEYPBRXGHAH-IBGZPJMESA-N 2 1 361.555 3.294 20 0 FGADMP CC1CC[NH+](Cc2ccc(NC(=O)C[N@@H+](C)[C@H]3CCSC3)cc2)CC1 ZINC000136320110 495372016 /nfs/dbraw/zinc/37/20/16/495372016.db2.gz VHSQEYPBRXGHAH-IBGZPJMESA-N 2 1 361.555 3.294 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124994663 495375284 /nfs/dbraw/zinc/37/52/84/495375284.db2.gz JGLVUJOMXPUFDJ-LJQANCHMSA-N 2 1 354.498 3.114 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000124994663 495375286 /nfs/dbraw/zinc/37/52/86/495375286.db2.gz JGLVUJOMXPUFDJ-LJQANCHMSA-N 2 1 354.498 3.114 20 0 FGADMP Cc1ccccc1[C@@H](C(C)C)[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000125117527 495393758 /nfs/dbraw/zinc/39/37/58/495393758.db2.gz UMQIQWVHPKVFIZ-OAQYLSRUSA-N 2 1 367.541 3.366 20 0 FGADMP Cc1ccccc1[C@@H](C(C)C)[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000125117527 495393762 /nfs/dbraw/zinc/39/37/62/495393762.db2.gz UMQIQWVHPKVFIZ-OAQYLSRUSA-N 2 1 367.541 3.366 20 0 FGADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164589 495422004 /nfs/dbraw/zinc/42/20/04/495422004.db2.gz WDAVBUDTORBEEG-MRXNPFEDSA-N 2 1 372.488 3.033 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114834424 495433448 /nfs/dbraw/zinc/43/34/48/495433448.db2.gz LPFSORAUIUUCEY-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@@H+]1C ZINC000137641896 495447899 /nfs/dbraw/zinc/44/78/99/495447899.db2.gz JJGKTJNBUCTZCG-KGLIPLIRSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[N@H+]1C ZINC000137641896 495447904 /nfs/dbraw/zinc/44/79/04/495447904.db2.gz JJGKTJNBUCTZCG-KGLIPLIRSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641896 495447907 /nfs/dbraw/zinc/44/79/07/495447907.db2.gz JJGKTJNBUCTZCG-KGLIPLIRSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC[NH+]1C ZINC000137641896 495447909 /nfs/dbraw/zinc/44/79/09/495447909.db2.gz JJGKTJNBUCTZCG-KGLIPLIRSA-N 2 1 357.420 3.449 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)c2)cc1 ZINC000125481196 495451395 /nfs/dbraw/zinc/45/13/95/495451395.db2.gz BIXKPWUZCKWAOU-GOSISDBHSA-N 2 1 367.493 3.331 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2)cc1 ZINC000125481196 495451399 /nfs/dbraw/zinc/45/13/99/495451399.db2.gz BIXKPWUZCKWAOU-GOSISDBHSA-N 2 1 367.493 3.331 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000120808536 495462563 /nfs/dbraw/zinc/46/25/63/495462563.db2.gz UNAKZGNMPHTEQC-HNNXBMFYSA-N 2 1 352.404 3.323 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000130900556 495462878 /nfs/dbraw/zinc/46/28/78/495462878.db2.gz HQEBCRIEKJWZBI-OAHLLOKOSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000130900556 495462884 /nfs/dbraw/zinc/46/28/84/495462884.db2.gz HQEBCRIEKJWZBI-OAHLLOKOSA-N 2 1 372.296 3.260 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000130909925 495465054 /nfs/dbraw/zinc/46/50/54/495465054.db2.gz AVCBMFKXXFJFRC-TZIWHRDSSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000130909925 495465056 /nfs/dbraw/zinc/46/50/56/495465056.db2.gz AVCBMFKXXFJFRC-TZIWHRDSSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000130909925 495465058 /nfs/dbraw/zinc/46/50/58/495465058.db2.gz AVCBMFKXXFJFRC-TZIWHRDSSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000130909925 495465060 /nfs/dbraw/zinc/46/50/60/495465060.db2.gz AVCBMFKXXFJFRC-TZIWHRDSSA-N 2 1 372.557 3.053 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)C[C@@H]1c1ccccc1 ZINC000577748462 505784850 /nfs/dbraw/zinc/78/48/50/505784850.db2.gz ZATDCJVMILXAKP-IVAOSVALSA-N 2 1 355.526 3.345 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](N3CCCC3=O)C2)C[C@@H]1c1ccccc1 ZINC000577748462 505784854 /nfs/dbraw/zinc/78/48/54/505784854.db2.gz ZATDCJVMILXAKP-IVAOSVALSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@@H](NC(=O)NCCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182375838 495538420 /nfs/dbraw/zinc/53/84/20/495538420.db2.gz VQXXHOVZEKNNMH-RTBURBONSA-N 2 1 364.578 3.061 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000170627307 495538563 /nfs/dbraw/zinc/53/85/63/495538563.db2.gz OLSQMMBRZNVEID-FPOVZHCZSA-N 2 1 357.542 3.260 20 0 FGADMP CCN(CC)Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)c(F)c2)o1 ZINC000144233855 495542261 /nfs/dbraw/zinc/54/22/61/495542261.db2.gz HDIHGRZPZWNMCW-UHFFFAOYSA-N 2 1 370.428 3.376 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158595077 495546714 /nfs/dbraw/zinc/54/67/14/495546714.db2.gz VQAQAPOTVQKYSS-CTNGQTDRSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158595077 495546721 /nfs/dbraw/zinc/54/67/21/495546721.db2.gz VQAQAPOTVQKYSS-CTNGQTDRSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000158595077 495546726 /nfs/dbraw/zinc/54/67/26/495546726.db2.gz VQAQAPOTVQKYSS-CTNGQTDRSA-N 2 1 374.573 3.411 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000158694999 495569871 /nfs/dbraw/zinc/56/98/71/495569871.db2.gz HEEFJBAPYDYUSS-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000158694999 495569878 /nfs/dbraw/zinc/56/98/78/495569878.db2.gz HEEFJBAPYDYUSS-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000158694999 495569881 /nfs/dbraw/zinc/56/98/81/495569881.db2.gz HEEFJBAPYDYUSS-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP CC[C@H]1CN(C(=O)NC2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000185453508 495583021 /nfs/dbraw/zinc/58/30/21/495583021.db2.gz UCJQSNKDJNESST-NRFANRHFSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000185510332 495604846 /nfs/dbraw/zinc/60/48/46/495604846.db2.gz WOGPOYHCHKLVOF-DAWZGUTISA-N 2 1 361.496 3.457 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474770 495606732 /nfs/dbraw/zinc/60/67/32/495606732.db2.gz ORJBFWMSXFFIND-HBMCJLEFSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182547271 495608577 /nfs/dbraw/zinc/60/85/77/495608577.db2.gz ZGTKOUDRMYGSKJ-IRXDYDNUSA-N 2 1 364.578 3.202 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000150762389 495624989 /nfs/dbraw/zinc/62/49/89/495624989.db2.gz JXTFQXBFXBMSNO-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150762389 495624991 /nfs/dbraw/zinc/62/49/91/495624991.db2.gz JXTFQXBFXBMSNO-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000150762389 495624992 /nfs/dbraw/zinc/62/49/92/495624992.db2.gz JXTFQXBFXBMSNO-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)CCCC[NH+]3CCOCC3)c2C1 ZINC000179575348 495646661 /nfs/dbraw/zinc/64/66/61/495646661.db2.gz HQGJVNQRNQLHBA-UHFFFAOYSA-N 2 1 359.514 3.099 20 0 FGADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CCCC[NH+]3CCOCC3)c2C1 ZINC000179575348 495646663 /nfs/dbraw/zinc/64/66/63/495646663.db2.gz HQGJVNQRNQLHBA-UHFFFAOYSA-N 2 1 359.514 3.099 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC(F)F)c(OC)c2)CC1 ZINC000159088142 495654937 /nfs/dbraw/zinc/65/49/37/495654937.db2.gz ZRLAPIJOALNFKC-AWEZNQCLSA-N 2 1 372.456 3.448 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1F ZINC000154648328 495683688 /nfs/dbraw/zinc/68/36/88/495683688.db2.gz DXKBMPQJKTYALM-SFHVURJKSA-N 2 1 361.505 3.158 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000173782719 495691869 /nfs/dbraw/zinc/69/18/69/495691869.db2.gz OPOMJUHBLQAZGK-XLIONFOSSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720387 495696347 /nfs/dbraw/zinc/69/63/47/495696347.db2.gz SUAPOLRZURUWOW-IXDOHACOSA-N 2 1 363.571 3.038 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720387 495696353 /nfs/dbraw/zinc/69/63/53/495696353.db2.gz SUAPOLRZURUWOW-IXDOHACOSA-N 2 1 363.571 3.038 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCc2ccccc21 ZINC000185746682 495707824 /nfs/dbraw/zinc/70/78/24/495707824.db2.gz GMKRFGUIAPQKGV-LNLFQRSKSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCc2ccccc21 ZINC000185746682 495707829 /nfs/dbraw/zinc/70/78/29/495707829.db2.gz GMKRFGUIAPQKGV-LNLFQRSKSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747372 495709493 /nfs/dbraw/zinc/70/94/93/495709493.db2.gz JLASJEKEXUBQMW-HBFSDRIKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185747372 495709495 /nfs/dbraw/zinc/70/94/95/495709495.db2.gz JLASJEKEXUBQMW-HBFSDRIKSA-N 2 1 369.553 3.202 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154738432 495712699 /nfs/dbraw/zinc/71/26/99/495712699.db2.gz UYABDRQOUVHPIA-RTWAWAEBSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154738432 495712704 /nfs/dbraw/zinc/71/27/04/495712704.db2.gz UYABDRQOUVHPIA-RTWAWAEBSA-N 2 1 360.542 3.179 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766338 495719006 /nfs/dbraw/zinc/71/90/06/495719006.db2.gz HWFLYORZGUOIAF-RYRKJORJSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766338 495719008 /nfs/dbraw/zinc/71/90/08/495719008.db2.gz HWFLYORZGUOIAF-RYRKJORJSA-N 2 1 371.525 3.459 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000151135476 495749169 /nfs/dbraw/zinc/74/91/69/495749169.db2.gz LNUSSOIPXVVOAD-INIZCTEOSA-N 2 1 374.554 3.233 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1 ZINC000151135476 495749176 /nfs/dbraw/zinc/74/91/76/495749176.db2.gz LNUSSOIPXVVOAD-INIZCTEOSA-N 2 1 374.554 3.233 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1cccc2ccccc21 ZINC000574565642 505803250 /nfs/dbraw/zinc/80/32/50/505803250.db2.gz ZGTZFNTWSQSKRW-LPHOPBHVSA-N 2 1 353.466 3.010 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000577850833 505804981 /nfs/dbraw/zinc/80/49/81/505804981.db2.gz OLHOQSDMVOFHCG-CALCHBBNSA-N 2 1 371.506 3.028 20 0 FGADMP c1[nH]c(-c2ccccc2)nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000179987950 495812537 /nfs/dbraw/zinc/81/25/37/495812537.db2.gz LEBHVMLXBROTCS-UHFFFAOYSA-N 2 1 354.498 3.154 20 0 FGADMP CCC[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000180074119 495846227 /nfs/dbraw/zinc/84/62/27/495846227.db2.gz XNZHEYOYSDMMQE-QFIPXVFZSA-N 2 1 371.569 3.446 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2F)cc1 ZINC000183137626 495850608 /nfs/dbraw/zinc/85/06/08/495850608.db2.gz CNTAZUWFLSHOAT-OAHLLOKOSA-N 2 1 366.440 3.287 20 0 FGADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)N[C@@H](c1ccccc1)C1CC1 ZINC000171387590 495850677 /nfs/dbraw/zinc/85/06/77/495850677.db2.gz KPUGUAQWPVWFFX-QFIPXVFZSA-N 2 1 355.526 3.062 20 0 FGADMP COc1cccc(NC(=O)C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000183146729 495854751 /nfs/dbraw/zinc/85/47/51/495854751.db2.gz VJPVIVIARSDJJJ-OAHLLOKOSA-N 2 1 364.449 3.479 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180091853 495854986 /nfs/dbraw/zinc/85/49/86/495854986.db2.gz SCXMRNFIWLSAMI-SFHVURJKSA-N 2 1 370.324 3.198 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174239411 495877226 /nfs/dbraw/zinc/87/72/26/495877226.db2.gz JGBNVYDCWRXBQU-UHFFFAOYSA-N 2 1 374.525 3.365 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000171649799 495967921 /nfs/dbraw/zinc/96/79/21/495967921.db2.gz FIVFKVBQJAVUDN-FTJRRQOFSA-N 2 1 358.530 3.207 20 0 FGADMP COc1ccc(C[N@@H+](CCO)C2CCN(C)CC2)cc1OCCC(C)C ZINC000155494405 495972739 /nfs/dbraw/zinc/97/27/39/495972739.db2.gz XOHBOKPINWKRTM-UHFFFAOYSA-N 2 1 364.530 3.009 20 0 FGADMP COc1ccc(CN(CCO)C2CC[NH+](C)CC2)cc1OCCC(C)C ZINC000155494405 495972747 /nfs/dbraw/zinc/97/27/47/495972747.db2.gz XOHBOKPINWKRTM-UHFFFAOYSA-N 2 1 364.530 3.009 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000177248698 495993140 /nfs/dbraw/zinc/99/31/40/495993140.db2.gz YGPUCJJJIJOREC-GOSISDBHSA-N 2 1 357.542 3.196 20 0 FGADMP C[N@@H+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCCC1 ZINC000155639504 496021432 /nfs/dbraw/zinc/02/14/32/496021432.db2.gz ZJEXAMMNZOFCJI-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000171832821 496057108 /nfs/dbraw/zinc/05/71/08/496057108.db2.gz KFXBYJVHCGEQAA-QGZVFWFLSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1nc(C)c(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000177490745 496083003 /nfs/dbraw/zinc/08/30/03/496083003.db2.gz OYWUUPYWJOUEDG-GASCZTMLSA-N 2 1 351.560 3.471 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233123 496088011 /nfs/dbraw/zinc/08/80/11/496088011.db2.gz BMAPOZQDJVOWCG-UYAOXDASSA-N 2 1 356.514 3.099 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000574647645 505823730 /nfs/dbraw/zinc/82/37/30/505823730.db2.gz MMXSIDRERGANHB-AYOQOUSVSA-N 2 1 363.933 3.024 20 0 FGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000172082738 496157056 /nfs/dbraw/zinc/15/70/56/496157056.db2.gz LTEBUAGDVWXOLD-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183950490 496173387 /nfs/dbraw/zinc/17/33/87/496173387.db2.gz UDFZMGIERGOQSD-CQSZACIVSA-N 2 1 356.507 3.002 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000152563276 496189382 /nfs/dbraw/zinc/18/93/82/496189382.db2.gz HIKHTSWOWMNXTQ-MGPUTAFESA-N 2 1 369.440 3.410 20 0 FGADMP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000152619855 496204563 /nfs/dbraw/zinc/20/45/63/496204563.db2.gz HMJFZLZACCBMHN-QGZVFWFLSA-N 2 1 365.481 3.059 20 0 FGADMP COc1cc(Br)ccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000180932248 496205011 /nfs/dbraw/zinc/20/50/11/496205011.db2.gz XOUSKIBIVICMBY-LBPRGKRZSA-N 2 1 352.276 3.389 20 0 FGADMP CC(C)N1CCC[C@H](Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)C1=O ZINC000175013525 496207763 /nfs/dbraw/zinc/20/77/63/496207763.db2.gz JMKSMDJECIITDY-NRFANRHFSA-N 2 1 372.557 3.276 20 0 FGADMP CC(=O)NC1CCC([NH2+]C2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000161618630 496208602 /nfs/dbraw/zinc/20/86/02/496208602.db2.gz YBTWKRNSSIGEKG-RNKVRGMHSA-N 2 1 357.542 3.180 20 0 FGADMP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000175014962 496208708 /nfs/dbraw/zinc/20/87/08/496208708.db2.gz WAXWRDJIJJBZHI-NRFANRHFSA-N 2 1 369.509 3.401 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000177845980 496220960 /nfs/dbraw/zinc/22/09/60/496220960.db2.gz KSSDUTPLFXQZKE-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000156348936 496221740 /nfs/dbraw/zinc/22/17/40/496221740.db2.gz UAHNBQHJBSNBDZ-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cnn(CC)c3)CC2)cs1 ZINC000161784863 496237365 /nfs/dbraw/zinc/23/73/65/496237365.db2.gz GNPSYWUWBRULSD-HNNXBMFYSA-N 2 1 361.559 3.485 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000571878037 505836195 /nfs/dbraw/zinc/83/61/95/505836195.db2.gz QOIDTOMJOQJZCR-HXUWFJFHSA-N 2 1 371.569 3.179 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Br)ccc1F ZINC000178070818 496315325 /nfs/dbraw/zinc/31/53/25/496315325.db2.gz VSXYNODMGHWCIA-DZGCQCFKSA-N 2 1 373.310 3.476 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc([S@](C)=O)cc3)CC2)nc(C)[nH+]1 ZINC000162281470 496327978 /nfs/dbraw/zinc/32/79/78/496327978.db2.gz RIGQBLYBOVVPJO-QWXGXRTQSA-N 2 1 372.538 3.150 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1)[NH+]1CCCCC1 ZINC000184338285 496340250 /nfs/dbraw/zinc/34/02/50/496340250.db2.gz DWVQSLOIDZDKHI-LJQANCHMSA-N 2 1 373.541 3.042 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000172587798 496354572 /nfs/dbraw/zinc/35/45/72/496354572.db2.gz NCDIAZOSPHLZIW-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000172587798 496354578 /nfs/dbraw/zinc/35/45/78/496354578.db2.gz NCDIAZOSPHLZIW-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](CNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000172587798 496354585 /nfs/dbraw/zinc/35/45/85/496354585.db2.gz NCDIAZOSPHLZIW-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)C(C)(C)C ZINC000172593729 496356423 /nfs/dbraw/zinc/35/64/23/496356423.db2.gz XYWZNZSZEWGBBD-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cnc2cnccn12 ZINC000156896955 496359306 /nfs/dbraw/zinc/35/93/06/496359306.db2.gz YHOLUENHLMAGNX-UHFFFAOYSA-N 2 1 361.449 3.244 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000178193173 496363699 /nfs/dbraw/zinc/36/36/99/496363699.db2.gz WNSQMEVWWHDWSV-QFBILLFUSA-N 2 1 362.481 3.290 20 0 FGADMP C[C@@H]1C[C@@H](N(C)CC(=O)NCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000156983609 496378972 /nfs/dbraw/zinc/37/89/72/496378972.db2.gz XSYVELWRNNKAKC-MJGOQNOKSA-N 2 1 371.550 3.349 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000175417759 496382604 /nfs/dbraw/zinc/38/26/04/496382604.db2.gz ICLDGKLXGCOGJN-MSOLQXFVSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175417759 496382612 /nfs/dbraw/zinc/38/26/12/496382612.db2.gz ICLDGKLXGCOGJN-MSOLQXFVSA-N 2 1 371.529 3.037 20 0 FGADMP C[C@H]1C[C@@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000157079134 496401542 /nfs/dbraw/zinc/40/15/42/496401542.db2.gz NGFGKWZDPDIGKS-ICSRJNTNSA-N 2 1 369.509 3.223 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162791084 496412804 /nfs/dbraw/zinc/41/28/04/496412804.db2.gz MUNZTAFGWCGYOS-PBHICJAKSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162791084 496412810 /nfs/dbraw/zinc/41/28/10/496412810.db2.gz MUNZTAFGWCGYOS-PBHICJAKSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000162791084 496412813 /nfs/dbraw/zinc/41/28/13/496412813.db2.gz MUNZTAFGWCGYOS-PBHICJAKSA-N 2 1 369.431 3.450 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000162870996 496425279 /nfs/dbraw/zinc/42/52/79/496425279.db2.gz MPFHZTOMJPLNGG-ZCNNSNEGSA-N 2 1 370.541 3.471 20 0 FGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc(F)cc(Br)c1 ZINC000181561028 496446982 /nfs/dbraw/zinc/44/69/82/496446982.db2.gz KKXVHZZLHDHFON-KRWDZBQOSA-N 2 1 373.310 3.476 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175646757 496481700 /nfs/dbraw/zinc/48/17/00/496481700.db2.gz WMCHERLHYQARCF-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000181644014 496483495 /nfs/dbraw/zinc/48/34/95/496483495.db2.gz FSZPLQTXARXGGT-MJGOQNOKSA-N 3 1 362.537 3.103 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000181644014 496483500 /nfs/dbraw/zinc/48/35/00/496483500.db2.gz FSZPLQTXARXGGT-MJGOQNOKSA-N 3 1 362.537 3.103 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000157480134 496484562 /nfs/dbraw/zinc/48/45/62/496484562.db2.gz WYLUYFDGAXTQMO-XLIONFOSSA-N 2 1 371.529 3.210 20 0 FGADMP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000153546386 496493185 /nfs/dbraw/zinc/49/31/85/496493185.db2.gz HNDQDLCAOOIZNH-MJGOQNOKSA-N 2 1 370.459 3.417 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000153599620 496513419 /nfs/dbraw/zinc/51/34/19/496513419.db2.gz ASHBPTFCKHWIIW-QFIPXVFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc2nccn2c1 ZINC000173020177 496523027 /nfs/dbraw/zinc/52/30/27/496523027.db2.gz AVFZWUMWWIWLJF-UHFFFAOYSA-N 2 1 374.444 3.489 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc2nccn2c1 ZINC000173020177 496523031 /nfs/dbraw/zinc/52/30/31/496523031.db2.gz AVFZWUMWWIWLJF-UHFFFAOYSA-N 2 1 374.444 3.489 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)[nH+]c1 ZINC000163538251 496529183 /nfs/dbraw/zinc/52/91/83/496529183.db2.gz JTUBTWDBKMOJRM-INIZCTEOSA-N 2 1 373.522 3.113 20 0 FGADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@H]([NH3+])c1ccccc1 ZINC000178662340 496531248 /nfs/dbraw/zinc/53/12/48/496531248.db2.gz UHWZXYTYEQDNHX-JVPBZIDWSA-N 2 1 359.901 3.395 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000175773243 496539313 /nfs/dbraw/zinc/53/93/13/496539313.db2.gz DFRFPSUXVJFZLJ-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000157727511 496539691 /nfs/dbraw/zinc/53/96/91/496539691.db2.gz DIBMOLADKFBERS-UHFFFAOYSA-N 2 1 374.573 3.448 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000157767250 496549349 /nfs/dbraw/zinc/54/93/49/496549349.db2.gz BMJIGFRRCCJTBR-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP COCC[N@@H+](C)CCCN[C@@H]1CCCOc2c(Br)cccc21 ZINC000153751616 496567452 /nfs/dbraw/zinc/56/74/52/496567452.db2.gz PGVZDNRBMARGAG-MRXNPFEDSA-N 2 1 371.319 3.221 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000153751616 496567460 /nfs/dbraw/zinc/56/74/60/496567460.db2.gz PGVZDNRBMARGAG-MRXNPFEDSA-N 2 1 371.319 3.221 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]([NH3+])c2ccccc2OC)cc1 ZINC000164304738 496603359 /nfs/dbraw/zinc/60/33/59/496603359.db2.gz LXYBZHJRVQNWOP-FQEVSTJZSA-N 2 1 371.481 3.054 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCOCCc2ccccc2)CC1 ZINC000153924376 496626087 /nfs/dbraw/zinc/62/60/87/496626087.db2.gz VXAIEXKVCSAQIY-SZPZYZBQSA-N 2 1 373.585 3.126 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000176006426 496640779 /nfs/dbraw/zinc/64/07/79/496640779.db2.gz XRDAZTJSCNGWKF-HXUWFJFHSA-N 2 1 355.457 3.490 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000176006426 496640785 /nfs/dbraw/zinc/64/07/85/496640785.db2.gz XRDAZTJSCNGWKF-HXUWFJFHSA-N 2 1 355.457 3.490 20 0 FGADMP O[C@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000154118378 496689079 /nfs/dbraw/zinc/68/90/79/496689079.db2.gz OFHHCVFETUUOQO-NVXWUHKLSA-N 2 1 356.432 3.027 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154132876 496692361 /nfs/dbraw/zinc/69/23/61/496692361.db2.gz JMDOVZGDEJURNL-FUHWJXTLSA-N 2 1 358.448 3.273 20 0 FGADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000167546812 496702857 /nfs/dbraw/zinc/70/28/57/496702857.db2.gz BQUKQVOTBIUDBL-LQWHRVPQSA-N 2 1 357.542 3.182 20 0 FGADMP Cc1ccc([C@H](C)NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1C ZINC000247049654 496762671 /nfs/dbraw/zinc/76/26/71/496762671.db2.gz ZGEFCTXOGDKZFP-RCZSKKKRSA-N 2 1 369.553 3.429 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000247091121 496776480 /nfs/dbraw/zinc/77/64/80/496776480.db2.gz RNTCMFIGQCKRRR-KRWDZBQOSA-N 2 1 353.963 3.494 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247101265 496778342 /nfs/dbraw/zinc/77/83/42/496778342.db2.gz QAUWMOKYRCNHDC-SJBKTWHCSA-N 2 1 358.574 3.394 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000191491135 496780701 /nfs/dbraw/zinc/78/07/01/496780701.db2.gz KQOWLPAAENTZQO-UHFFFAOYSA-N 2 1 368.525 3.353 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC1(c2ccccc2)CCC1 ZINC000191491135 496780703 /nfs/dbraw/zinc/78/07/03/496780703.db2.gz KQOWLPAAENTZQO-UHFFFAOYSA-N 2 1 368.525 3.353 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774339 496781626 /nfs/dbraw/zinc/78/16/26/496781626.db2.gz RCZPPBLMGVIICR-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1-n1ccnc1 ZINC000268774339 496781631 /nfs/dbraw/zinc/78/16/31/496781631.db2.gz RCZPPBLMGVIICR-WIYYLYMNSA-N 2 1 361.493 3.268 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000273371482 496786578 /nfs/dbraw/zinc/78/65/78/496786578.db2.gz GWKDJYMIYBWTLY-SFHVURJKSA-N 2 1 374.573 3.399 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268795541 496788593 /nfs/dbraw/zinc/78/85/93/496788593.db2.gz HZNBJROCNLPNNV-LAUBAEHRSA-N 2 1 351.494 3.046 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268795541 496788597 /nfs/dbraw/zinc/78/85/97/496788597.db2.gz HZNBJROCNLPNNV-LAUBAEHRSA-N 2 1 351.494 3.046 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1ccc(OC)cc1 ZINC000191512896 496792788 /nfs/dbraw/zinc/79/27/88/496792788.db2.gz PIVXQLTYYCCIBP-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1ccc(OC)cc1 ZINC000191512896 496792792 /nfs/dbraw/zinc/79/27/92/496792792.db2.gz PIVXQLTYYCCIBP-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268870022 496809076 /nfs/dbraw/zinc/80/90/76/496809076.db2.gz LGDQLGYGBRKSAA-OLZOCXBDSA-N 2 1 371.453 3.175 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268869759 496809378 /nfs/dbraw/zinc/80/93/78/496809378.db2.gz UWXVQOAVMASDLV-AWEZNQCLSA-N 2 1 360.420 3.125 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)CC1 ZINC000191560876 496812484 /nfs/dbraw/zinc/81/24/84/496812484.db2.gz NDHZDBUUMBCFDI-QHCPKHFHSA-N 2 1 366.553 3.309 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247649729 496900681 /nfs/dbraw/zinc/90/06/81/496900681.db2.gz WGAZACHGCMNQTR-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247649729 496900686 /nfs/dbraw/zinc/90/06/86/496900686.db2.gz WGAZACHGCMNQTR-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247649729 496900690 /nfs/dbraw/zinc/90/06/90/496900690.db2.gz WGAZACHGCMNQTR-LBFURVHYSA-N 2 1 372.557 3.212 20 0 FGADMP O=C(c1ccc2nccn2c1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247920317 496927967 /nfs/dbraw/zinc/92/79/67/496927967.db2.gz BCBVYTWFPIAYDD-PZJWPPBQSA-N 2 1 374.488 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccccc2Br)C1 ZINC000247926062 496929248 /nfs/dbraw/zinc/92/92/48/496929248.db2.gz BPKYNMPBLQHKHR-PNBKFKSVSA-N 2 1 366.347 3.346 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H]1c1ccccc1 ZINC000247980886 496937561 /nfs/dbraw/zinc/93/75/61/496937561.db2.gz HLVRCDYJWVQJQF-FCHUYYIVSA-N 2 1 363.505 3.458 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)c2)C1 ZINC000247981243 496938774 /nfs/dbraw/zinc/93/87/74/496938774.db2.gz IIVOKDYYIHRJHV-YPAWHYETSA-N 2 1 369.553 3.442 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000248067725 496951248 /nfs/dbraw/zinc/95/12/48/496951248.db2.gz ZTRFOSMFCXLYAN-IAGOWNOFSA-N 2 1 367.559 3.363 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Br)ccc1F ZINC000248176816 496969680 /nfs/dbraw/zinc/96/96/80/496969680.db2.gz VSXYNODMGHWCIA-ZFWWWQNUSA-N 2 1 373.310 3.476 20 0 FGADMP C[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000248184750 496970929 /nfs/dbraw/zinc/97/09/29/496970929.db2.gz XBZHGVZPIDWYLT-LQBOVUBWSA-N 2 1 365.521 3.433 20 0 FGADMP CC(C)[NH+](CC[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)C(C)C ZINC000188992550 496971899 /nfs/dbraw/zinc/97/18/99/496971899.db2.gz SKSDJHICLLSYNF-UHFFFAOYSA-N 2 1 371.525 3.302 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000192062242 496981774 /nfs/dbraw/zinc/98/17/74/496981774.db2.gz DEWCIDZNWBRELE-RLLQIKCJSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000192062242 496981776 /nfs/dbraw/zinc/98/17/76/496981776.db2.gz DEWCIDZNWBRELE-RLLQIKCJSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062242 496981780 /nfs/dbraw/zinc/98/17/80/496981780.db2.gz DEWCIDZNWBRELE-RLLQIKCJSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000192062242 496981783 /nfs/dbraw/zinc/98/17/83/496981783.db2.gz DEWCIDZNWBRELE-RLLQIKCJSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248390155 496992170 /nfs/dbraw/zinc/99/21/70/496992170.db2.gz BGRDTBAYVPUNNM-GBESFXJTSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390155 496992178 /nfs/dbraw/zinc/99/21/78/496992178.db2.gz BGRDTBAYVPUNNM-GBESFXJTSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390155 496992184 /nfs/dbraw/zinc/99/21/84/496992184.db2.gz BGRDTBAYVPUNNM-GBESFXJTSA-N 2 1 364.578 3.155 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000248397333 496994369 /nfs/dbraw/zinc/99/43/69/496994369.db2.gz HYDIJNPXJDXMFD-MLCQCVOFSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069719 496997987 /nfs/dbraw/zinc/99/79/87/496997987.db2.gz AORSJAHFWLQRGN-WFASDCNBSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000189069719 496997978 /nfs/dbraw/zinc/99/79/78/496997978.db2.gz AORSJAHFWLQRGN-WFASDCNBSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000189069719 496997982 /nfs/dbraw/zinc/99/79/82/496997982.db2.gz AORSJAHFWLQRGN-WFASDCNBSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069719 496997992 /nfs/dbraw/zinc/99/79/92/496997992.db2.gz AORSJAHFWLQRGN-WFASDCNBSA-N 2 1 359.283 3.382 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078437 497000350 /nfs/dbraw/zinc/00/03/50/497000350.db2.gz ZQDPZEIQAQBPRB-ZDUSSCGKSA-N 2 1 359.283 3.241 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078437 497000355 /nfs/dbraw/zinc/00/03/55/497000355.db2.gz ZQDPZEIQAQBPRB-ZDUSSCGKSA-N 2 1 359.283 3.241 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078437 497000359 /nfs/dbraw/zinc/00/03/59/497000359.db2.gz ZQDPZEIQAQBPRB-ZDUSSCGKSA-N 2 1 359.283 3.241 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078437 497000364 /nfs/dbraw/zinc/00/03/64/497000364.db2.gz ZQDPZEIQAQBPRB-ZDUSSCGKSA-N 2 1 359.283 3.241 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(F)cc1N(C)C ZINC000248450442 497014907 /nfs/dbraw/zinc/01/49/07/497014907.db2.gz PAFQSMGGCYFXGK-OXQOHEQNSA-N 2 1 371.500 3.309 20 0 FGADMP CCOc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000278305462 497068898 /nfs/dbraw/zinc/06/88/98/497068898.db2.gz CRJURXIAOVIEMH-UHFFFAOYSA-N 2 1 358.461 3.390 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000227374084 497089686 /nfs/dbraw/zinc/08/96/86/497089686.db2.gz SYNVGQQPYSYJIE-UYAOXDASSA-N 2 1 370.541 3.092 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248737580 497094321 /nfs/dbraw/zinc/09/43/21/497094321.db2.gz XOSCWQMDAUDXDH-FPOVZHCZSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1 ZINC000248830435 497112940 /nfs/dbraw/zinc/11/29/40/497112940.db2.gz HHVUCOPQBXTEEM-PGRDOPGGSA-N 2 1 365.521 3.277 20 0 FGADMP Cn1c2ccc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cc2sc1=O ZINC000192453277 497119563 /nfs/dbraw/zinc/11/95/63/497119563.db2.gz SXFZQBVGODYGQX-UHFFFAOYSA-N 2 1 367.518 3.354 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236661316 497129128 /nfs/dbraw/zinc/12/91/28/497129128.db2.gz KLLUFBWXARQELL-IEBWSBKVSA-N 2 1 357.523 3.337 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(N3CCOCC3)s2)c1 ZINC000236669226 497130184 /nfs/dbraw/zinc/13/01/84/497130184.db2.gz WQVNWDCZMDYDEQ-UHFFFAOYSA-N 2 1 374.554 3.110 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248902026 497131855 /nfs/dbraw/zinc/13/18/55/497131855.db2.gz UOAZEHUSGBNUNI-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569236214 505886555 /nfs/dbraw/zinc/88/65/55/505886555.db2.gz YMPUSNLFLFDANT-QFIPXVFZSA-N 2 1 365.521 3.185 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000236727143 497138434 /nfs/dbraw/zinc/13/84/34/497138434.db2.gz YTPAVZJTZIBVFH-IBGZPJMESA-N 2 1 363.571 3.020 20 0 FGADMP CCCN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236745052 497140452 /nfs/dbraw/zinc/14/04/52/497140452.db2.gz RFLPHAZBGKUGLE-NHCUHLMSSA-N 2 1 369.553 3.279 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000270516057 497143411 /nfs/dbraw/zinc/14/34/11/497143411.db2.gz MDXAFKJQFSLABW-RTWAWAEBSA-N 2 1 370.541 3.092 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236781006 497145373 /nfs/dbraw/zinc/14/53/73/497145373.db2.gz JMTJRVGBANUVMJ-IXDOHACOSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000236781006 497145382 /nfs/dbraw/zinc/14/53/82/497145382.db2.gz JMTJRVGBANUVMJ-IXDOHACOSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000249024569 497150899 /nfs/dbraw/zinc/15/08/99/497150899.db2.gz RFRHOUCZLYPLLU-SESVDKBCSA-N 2 1 374.573 3.125 20 0 FGADMP Cc1ccc(C)c([C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H](C)CO2)c1 ZINC000249053151 497156206 /nfs/dbraw/zinc/15/62/06/497156206.db2.gz OONIMEJUGNAGKP-JTHBVZDNSA-N 2 1 373.585 3.481 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000192637991 497171651 /nfs/dbraw/zinc/17/16/51/497171651.db2.gz VZWLJPSQNAYGCT-GOEBONIOSA-N 2 1 359.539 3.343 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCCS2 ZINC000249181184 497179264 /nfs/dbraw/zinc/17/92/64/497179264.db2.gz IEBRPLBJDMBGOI-QFBILLFUSA-N 2 1 364.555 3.449 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000189615033 497182511 /nfs/dbraw/zinc/18/25/11/497182511.db2.gz XTHDBOMQYIGGFC-QGZVFWFLSA-N 2 1 366.937 3.068 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@H](C)C2CC2)[NH+]2CCCCC2)cc1 ZINC000249224754 497182557 /nfs/dbraw/zinc/18/25/57/497182557.db2.gz GQCPGPHIUOZYOZ-DYESRHJHSA-N 2 1 373.541 3.069 20 0 FGADMP COc1cccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1F ZINC000192682623 497183547 /nfs/dbraw/zinc/18/35/47/497183547.db2.gz XFAYHQRNRBDBQQ-UHFFFAOYSA-N 2 1 361.461 3.441 20 0 FGADMP Cc1ccccc1[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)CO1 ZINC000249270951 497184883 /nfs/dbraw/zinc/18/48/83/497184883.db2.gz JLCLBIGCEYZGPN-UNMCSNQZSA-N 2 1 359.558 3.173 20 0 FGADMP C[C@@H]([NH2+]Cc1cccnc1-n1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274889953 497192044 /nfs/dbraw/zinc/19/20/44/497192044.db2.gz JFQCWHRHYAOOIH-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192720894 497194811 /nfs/dbraw/zinc/19/48/11/497194811.db2.gz RAXOCTJDWHXZQP-VSOVRNOCSA-N 2 1 369.553 3.134 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)C1 ZINC000249393345 497197391 /nfs/dbraw/zinc/19/73/91/497197391.db2.gz SCLRCRBVANOLMM-RCCFBDPRSA-N 2 1 356.432 3.464 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000237151935 497198318 /nfs/dbraw/zinc/19/83/18/497198318.db2.gz JDUGKENBXJIZDQ-NRFANRHFSA-N 2 1 369.553 3.457 20 0 FGADMP COc1ccc([C@@H]2[C@@H](CNC(=O)CCCCCC[NH3+])CCC[N@H+]2C)cc1 ZINC000237229804 497206662 /nfs/dbraw/zinc/20/66/62/497206662.db2.gz OEQJIHKOMZSZLC-WIYYLYMNSA-N 2 1 361.530 3.104 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961383 497207065 /nfs/dbraw/zinc/20/70/65/497207065.db2.gz WSGGYQVNTZRKAU-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000192777033 497210691 /nfs/dbraw/zinc/21/06/91/497210691.db2.gz KPYHJKNFEDFBGS-SFHVURJKSA-N 2 1 365.949 3.209 20 0 FGADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192781021 497213079 /nfs/dbraw/zinc/21/30/79/497213079.db2.gz JPNOEFOWHYHIMQ-FQEVSTJZSA-N 2 1 361.574 3.222 20 0 FGADMP C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H](N)c2ccccc2)CC1 ZINC000237432201 497235268 /nfs/dbraw/zinc/23/52/68/497235268.db2.gz HZEXDPHHQHIORW-DNVCBOLYSA-N 2 1 357.885 3.245 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000271025912 497247936 /nfs/dbraw/zinc/24/79/36/497247936.db2.gz DLVMDUNGTBOWHI-UHFFFAOYSA-N 2 1 356.470 3.110 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000271025912 497247941 /nfs/dbraw/zinc/24/79/41/497247941.db2.gz DLVMDUNGTBOWHI-UHFFFAOYSA-N 2 1 356.470 3.110 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278875755 497251355 /nfs/dbraw/zinc/25/13/55/497251355.db2.gz SWRYFWFAOHOFDD-OAHLLOKOSA-N 2 1 356.432 3.473 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278875755 497251358 /nfs/dbraw/zinc/25/13/58/497251358.db2.gz SWRYFWFAOHOFDD-OAHLLOKOSA-N 2 1 356.432 3.473 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000237530342 497251620 /nfs/dbraw/zinc/25/16/20/497251620.db2.gz FCLRMKCQYBAIKT-JKSUJKDBSA-N 2 1 354.498 3.384 20 0 FGADMP C[C@H](CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237578486 497258658 /nfs/dbraw/zinc/25/86/58/497258658.db2.gz RXZGIRIITWWKLC-MOPGFXCFSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH2+]CCOCC(F)(F)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933474 497297799 /nfs/dbraw/zinc/29/77/99/497297799.db2.gz MRXJVAJNMIQLLX-STQMWFEESA-N 2 1 358.395 3.443 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252480955 497302399 /nfs/dbraw/zinc/30/23/99/497302399.db2.gz HHSUVVLCBFRJKE-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252480955 497302406 /nfs/dbraw/zinc/30/24/06/497302406.db2.gz HHSUVVLCBFRJKE-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252480955 497302410 /nfs/dbraw/zinc/30/24/10/497302410.db2.gz HHSUVVLCBFRJKE-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000193299939 497343982 /nfs/dbraw/zinc/34/39/82/497343982.db2.gz YYCCQQGNVITSKO-CRAIPNDOSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000193299939 497343985 /nfs/dbraw/zinc/34/39/85/497343985.db2.gz YYCCQQGNVITSKO-CRAIPNDOSA-N 2 1 357.523 3.091 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000271444274 497350946 /nfs/dbraw/zinc/35/09/46/497350946.db2.gz CSYMODACVFMGMF-SLFFLAALSA-N 2 1 356.510 3.400 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000193437439 497380121 /nfs/dbraw/zinc/38/01/21/497380121.db2.gz UMBYBTFYROYHQK-LJQANCHMSA-N 2 1 350.466 3.366 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261573462 497415807 /nfs/dbraw/zinc/41/58/07/497415807.db2.gz APSJUSOSTPLNCI-YYWHXJBOSA-N 2 1 351.494 3.055 20 0 FGADMP O=C(CC[C@H]1CC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261898626 497470780 /nfs/dbraw/zinc/47/07/80/497470780.db2.gz UUARMJHQXVMJPO-LPHOPBHVSA-N 2 1 363.933 3.200 20 0 FGADMP CCc1ccc([C@H]2CNCCN2C(=O)Cn2c(C)nc3ccccc32)cc1 ZINC000261908947 497473959 /nfs/dbraw/zinc/47/39/59/497473959.db2.gz HHFRSLIXTYSHDL-OAQYLSRUSA-N 2 1 362.477 3.080 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000271872139 497476307 /nfs/dbraw/zinc/47/63/07/497476307.db2.gz YDCNYRHJPFNDRT-UHFFFAOYSA-N 2 1 359.477 3.286 20 0 FGADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000190457998 497486184 /nfs/dbraw/zinc/48/61/84/497486184.db2.gz LNJMDKRMUBYGBV-QGZVFWFLSA-N 2 1 361.559 3.258 20 0 FGADMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cnn(CC(C)C)c2)C1 ZINC000190457998 497486190 /nfs/dbraw/zinc/48/61/90/497486190.db2.gz LNJMDKRMUBYGBV-QGZVFWFLSA-N 2 1 361.559 3.258 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670576 497494717 /nfs/dbraw/zinc/49/47/17/497494717.db2.gz HHEFVXZJJJAXOS-YSFYHYPLSA-N 2 1 362.521 3.446 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCNC[C@@H]2c2cccnc2)cc1)C(C)C ZINC000262061333 497501134 /nfs/dbraw/zinc/50/11/34/497501134.db2.gz VWPLHBFJBRGDSH-OAQYLSRUSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1)C(C)C ZINC000262061333 497501137 /nfs/dbraw/zinc/50/11/37/497501137.db2.gz VWPLHBFJBRGDSH-OAQYLSRUSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1)C(C)C ZINC000262061333 497501140 /nfs/dbraw/zinc/50/11/40/497501140.db2.gz VWPLHBFJBRGDSH-OAQYLSRUSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCNC[C@H]2c2cccnc2)cc1)C(C)C ZINC000262061330 497501903 /nfs/dbraw/zinc/50/19/03/497501903.db2.gz VWPLHBFJBRGDSH-NRFANRHFSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1)C(C)C ZINC000262061330 497501907 /nfs/dbraw/zinc/50/19/07/497501907.db2.gz VWPLHBFJBRGDSH-NRFANRHFSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)cc1)C(C)C ZINC000262061330 497501910 /nfs/dbraw/zinc/50/19/10/497501910.db2.gz VWPLHBFJBRGDSH-NRFANRHFSA-N 2 1 366.509 3.099 20 0 FGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740180 497522693 /nfs/dbraw/zinc/52/26/93/497522693.db2.gz RLFAQAZIBYGAQC-WLRLJWMZSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCCC1 ZINC000245740180 497522700 /nfs/dbraw/zinc/52/27/00/497522700.db2.gz RLFAQAZIBYGAQC-WLRLJWMZSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H](c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1)[NH+]1CCOCC1 ZINC000262234708 497528014 /nfs/dbraw/zinc/52/80/14/497528014.db2.gz HFUKGPYSLPRXQF-CRGSBQTFSA-N 2 1 371.525 3.172 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000193977793 497537949 /nfs/dbraw/zinc/53/79/49/497537949.db2.gz QJHQJMREOFFCQN-OAHLLOKOSA-N 2 1 358.448 3.463 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000262312508 497538348 /nfs/dbraw/zinc/53/83/48/497538348.db2.gz PWSWHCLAYAEGNS-CORIIIEPSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000262312508 497538350 /nfs/dbraw/zinc/53/83/50/497538350.db2.gz PWSWHCLAYAEGNS-CORIIIEPSA-N 2 1 369.303 3.026 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000245894263 497562671 /nfs/dbraw/zinc/56/26/71/497562671.db2.gz CUHLVYAZQNQREL-WOJBJXKFSA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194070615 497564316 /nfs/dbraw/zinc/56/43/16/497564316.db2.gz HJEXQHOIQDBGIY-IBGZPJMESA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000262660007 497594273 /nfs/dbraw/zinc/59/42/73/497594273.db2.gz FUMHYGNTUSQDNC-MTNREXPMSA-N 2 1 365.521 3.276 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131328 505916599 /nfs/dbraw/zinc/91/65/99/505916599.db2.gz PAWUFWXDNPMCEU-GOSISDBHSA-N 2 1 355.457 3.386 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581131328 505916604 /nfs/dbraw/zinc/91/66/04/505916604.db2.gz PAWUFWXDNPMCEU-GOSISDBHSA-N 2 1 355.457 3.386 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194193125 497597794 /nfs/dbraw/zinc/59/77/94/497597794.db2.gz FXOLUGIETRMGQZ-DXBBTUNJSA-N 2 1 370.537 3.215 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194193125 497597799 /nfs/dbraw/zinc/59/77/99/497597799.db2.gz FXOLUGIETRMGQZ-DXBBTUNJSA-N 2 1 370.537 3.215 20 0 FGADMP C[C@]1(O)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@](C)(O)CC3)cc2)CC1 ZINC000279957116 497601805 /nfs/dbraw/zinc/60/18/05/497601805.db2.gz GWRPPXGIPWEWHG-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1(C)C ZINC000262803825 497625238 /nfs/dbraw/zinc/62/52/38/497625238.db2.gz SADPGGGOMOHIBL-PERKRYKHSA-N 2 1 373.541 3.390 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCC[C@@H]21 ZINC000572229118 505919629 /nfs/dbraw/zinc/91/96/29/505919629.db2.gz CRBQSPWGPZENHZ-SNPRPXQTSA-N 2 1 367.287 3.140 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@@](C)(O)CC3)c2)CC1 ZINC000280088606 497645186 /nfs/dbraw/zinc/64/51/86/497645186.db2.gz OGOXFUOELVDVHI-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000246170300 497646229 /nfs/dbraw/zinc/64/62/29/497646229.db2.gz LFTWXNQNACBLTM-TZIWHRDSSA-N 2 1 374.573 3.225 20 0 FGADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246194301 497655355 /nfs/dbraw/zinc/65/53/55/497655355.db2.gz MQLOGDICYPUEHH-ICSRJNTNSA-N 2 1 360.542 3.142 20 0 FGADMP CC(C)(C)c1ccc(OC[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246194301 497655362 /nfs/dbraw/zinc/65/53/62/497655362.db2.gz MQLOGDICYPUEHH-ICSRJNTNSA-N 2 1 360.542 3.142 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194413967 497658028 /nfs/dbraw/zinc/65/80/28/497658028.db2.gz AZDPPZKOIIREEC-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194413967 497658033 /nfs/dbraw/zinc/65/80/33/497658033.db2.gz AZDPPZKOIIREEC-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194413967 497658038 /nfs/dbraw/zinc/65/80/38/497658038.db2.gz AZDPPZKOIIREEC-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000246205073 497659474 /nfs/dbraw/zinc/65/94/74/497659474.db2.gz QUZCVUKQYWVNBI-RYRKJORJSA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000246205073 497659480 /nfs/dbraw/zinc/65/94/80/497659480.db2.gz QUZCVUKQYWVNBI-RYRKJORJSA-N 2 1 356.432 3.025 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246279273 497682030 /nfs/dbraw/zinc/68/20/30/497682030.db2.gz MLEPCRYKPGMEEO-FPOVZHCZSA-N 2 1 358.526 3.216 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246335960 497700177 /nfs/dbraw/zinc/70/01/77/497700177.db2.gz OPOMJUHBLQAZGK-FXAWDEMLSA-N 2 1 360.546 3.153 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@H+](CCOC3CCC3)C2)C1)OC1CCC1 ZINC000569394523 505924111 /nfs/dbraw/zinc/92/41/11/505924111.db2.gz AVTVHQKRGCUZHS-UHFFFAOYSA-N 2 1 350.547 3.303 20 0 FGADMP COC1(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CCOCC1 ZINC000276978430 497705171 /nfs/dbraw/zinc/70/51/71/497705171.db2.gz GKZTZMQUBGYUCP-UHFFFAOYSA-N 2 1 358.482 3.197 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000272726799 497713559 /nfs/dbraw/zinc/71/35/59/497713559.db2.gz OFNFKDMDPKHDBO-NQIIRXRSSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000272726799 497713567 /nfs/dbraw/zinc/71/35/67/497713567.db2.gz OFNFKDMDPKHDBO-NQIIRXRSSA-N 2 1 357.542 3.276 20 0 FGADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc([C@@H](C)OCC(C)C)no1 ZINC000277036032 497722837 /nfs/dbraw/zinc/72/28/37/497722837.db2.gz BMGCAUWQBJDKJE-MRXNPFEDSA-N 2 1 363.506 3.474 20 0 FGADMP CCOc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737142 497753796 /nfs/dbraw/zinc/75/37/96/497753796.db2.gz LRCSEPQVSUIRDG-QGZVFWFLSA-N 2 1 359.514 3.220 20 0 FGADMP CC1(C)C[N@H+](C2(CNC(=O)C[C@@H]([NH3+])c3ccccc3)CCCCC2)CCO1 ZINC000263325193 497757664 /nfs/dbraw/zinc/75/76/64/497757664.db2.gz KDNJBFIREUPTQW-LJQANCHMSA-N 2 1 373.541 3.006 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246577833 497780262 /nfs/dbraw/zinc/78/02/62/497780262.db2.gz ZRSZVQWHNMKOMF-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246577833 497780266 /nfs/dbraw/zinc/78/02/66/497780266.db2.gz ZRSZVQWHNMKOMF-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246577833 497780271 /nfs/dbraw/zinc/78/02/71/497780271.db2.gz ZRSZVQWHNMKOMF-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000581186294 505929516 /nfs/dbraw/zinc/92/95/16/505929516.db2.gz PMZJHEUZLPGTBG-VQIMIIECSA-N 2 1 359.514 3.155 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608063 497788005 /nfs/dbraw/zinc/78/80/05/497788005.db2.gz WPOXYYYJGFOUBE-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608063 497788009 /nfs/dbraw/zinc/78/80/09/497788009.db2.gz WPOXYYYJGFOUBE-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000246626184 497790904 /nfs/dbraw/zinc/79/09/04/497790904.db2.gz UVTRNGCKCLXNOJ-OXQOHEQNSA-N 2 1 369.484 3.374 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000246724091 497804185 /nfs/dbraw/zinc/80/41/85/497804185.db2.gz VJUGHGSZYDOKFO-IAGOWNOFSA-N 2 1 366.575 3.018 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246836906 497815129 /nfs/dbraw/zinc/81/51/29/497815129.db2.gz BZZWEQSMSGWWDU-SJLPKXTDSA-N 2 1 365.949 3.399 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870360 497817864 /nfs/dbraw/zinc/81/78/64/497817864.db2.gz COHHZIMLAMQDDO-PGRDOPGGSA-N 3 1 359.558 3.227 20 0 FGADMP CCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@@H](C)C1 ZINC000246870360 497817865 /nfs/dbraw/zinc/81/78/65/497817865.db2.gz COHHZIMLAMQDDO-PGRDOPGGSA-N 2 1 359.558 3.227 20 0 FGADMP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)c1cc(C[NH+]2CCCC2)on1 ZINC000292010508 497837765 /nfs/dbraw/zinc/83/77/65/497837765.db2.gz XZSAAOGMWPPFKZ-UHFFFAOYSA-N 2 1 368.481 3.161 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)c3ccccc3)nc2)CC1 ZINC000280715534 497869265 /nfs/dbraw/zinc/86/92/65/497869265.db2.gz ULEOTLZGPYFNIF-UHFFFAOYSA-N 2 1 368.525 3.440 20 0 FGADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000578441798 505940960 /nfs/dbraw/zinc/94/09/60/505940960.db2.gz BSADHCLRHPUKRS-AZUAARDMSA-N 2 1 373.541 3.246 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]21 ZINC000569487154 505946461 /nfs/dbraw/zinc/94/64/61/505946461.db2.gz FEMULMMWFBSUMK-KHHDVDEJSA-N 2 1 373.516 3.232 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]21 ZINC000569487154 505946466 /nfs/dbraw/zinc/94/64/66/505946466.db2.gz FEMULMMWFBSUMK-KHHDVDEJSA-N 2 1 373.516 3.232 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cn1cccn1 ZINC000295987832 497881502 /nfs/dbraw/zinc/88/15/02/497881502.db2.gz PICMNHRYHNXUIR-MIJOPJBOSA-N 2 1 354.498 3.216 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCCn1cc[nH+]c1C ZINC000299677292 497891204 /nfs/dbraw/zinc/89/12/04/497891204.db2.gz MRLZEUPYUUKZFO-UHFFFAOYSA-N 2 1 364.877 3.204 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000299677292 497891207 /nfs/dbraw/zinc/89/12/07/497891207.db2.gz MRLZEUPYUUKZFO-UHFFFAOYSA-N 2 1 364.877 3.204 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H]1C ZINC000280813130 497908780 /nfs/dbraw/zinc/90/87/80/497908780.db2.gz IHTHUBXBHBAHEC-NRDMVMEKSA-N 2 1 358.526 3.118 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000292187401 497914470 /nfs/dbraw/zinc/91/44/70/497914470.db2.gz ZQXVSXNTAGQLBO-UHFFFAOYSA-N 2 1 358.530 3.444 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Nc1cccc(C2CCC2)c1 ZINC000292187401 497914476 /nfs/dbraw/zinc/91/44/76/497914476.db2.gz ZQXVSXNTAGQLBO-UHFFFAOYSA-N 2 1 358.530 3.444 20 0 FGADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000575243582 505949898 /nfs/dbraw/zinc/94/98/98/505949898.db2.gz OTXOCNJJJYDMNV-ACESQOTJSA-N 2 1 365.521 3.400 20 0 FGADMP C[C@H]1CN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292281351 497952941 /nfs/dbraw/zinc/95/29/41/497952941.db2.gz LMRQTBDXHCLHKK-REWPJTCUSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@H]1CN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292281351 497952950 /nfs/dbraw/zinc/95/29/50/497952950.db2.gz LMRQTBDXHCLHKK-REWPJTCUSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@H]1CN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292281351 497952958 /nfs/dbraw/zinc/95/29/58/497952958.db2.gz LMRQTBDXHCLHKK-REWPJTCUSA-N 2 1 371.569 3.084 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500166 505955641 /nfs/dbraw/zinc/95/56/41/505955641.db2.gz OWLUARAZEXLYLO-XZOQPEGZSA-N 2 1 352.522 3.482 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000581340092 505965341 /nfs/dbraw/zinc/96/53/41/505965341.db2.gz DOUBVKZKGPCQPH-BHIFYINESA-N 2 1 352.526 3.243 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)C2 ZINC000364566157 498026155 /nfs/dbraw/zinc/02/61/55/498026155.db2.gz WOXKXYKVSMKUEC-KRWDZBQOSA-N 2 1 354.498 3.016 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC[C@H]([NH+](C)C)CC2)cc[nH+]1 ZINC000330143154 498036884 /nfs/dbraw/zinc/03/68/84/498036884.db2.gz QZQCLROQKZLDRG-SCTDSRPQSA-N 2 1 361.534 3.013 20 0 FGADMP COc1cc2cc[nH+]c(NCc3ccnc(OCC[NH+](C)C)c3)c2cc1F ZINC000572437387 505968467 /nfs/dbraw/zinc/96/84/67/505968467.db2.gz BNQFFNWQEUFMAW-UHFFFAOYSA-N 2 1 370.428 3.330 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(OC)c1O ZINC000289208345 498060110 /nfs/dbraw/zinc/06/01/10/498060110.db2.gz IIXKZQXINRYWEC-GOSISDBHSA-N 2 1 370.493 3.064 20 0 FGADMP [NH3+][C@H](CC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000569599241 505973298 /nfs/dbraw/zinc/97/32/98/505973298.db2.gz FHASSUKKJWALSY-JOCHJYFZSA-N 2 1 365.521 3.244 20 0 FGADMP Cc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301372593 498078843 /nfs/dbraw/zinc/07/88/43/498078843.db2.gz UOFJVRQSALYXMS-CQSZACIVSA-N 2 1 364.440 3.192 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC000569610546 505976140 /nfs/dbraw/zinc/97/61/40/505976140.db2.gz MHTPDHMRPMNSLN-QGZVFWFLSA-N 2 1 374.554 3.186 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H](c4ccnn4C)C3)CC2)nc(C)[nH+]1 ZINC000575474621 505978282 /nfs/dbraw/zinc/97/82/82/505978282.db2.gz YDJFIFDOTQGYIS-IEBWSBKVSA-N 2 1 368.529 3.112 20 0 FGADMP COC(=O)c1oc([C@H](C)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1C ZINC000364708168 498103657 /nfs/dbraw/zinc/10/36/57/498103657.db2.gz RLDSMXUUQBLJQP-IEZWGBDMSA-N 2 1 371.481 3.455 20 0 FGADMP COC(=O)c1oc([C@H](C)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1C ZINC000364708168 498103665 /nfs/dbraw/zinc/10/36/65/498103665.db2.gz RLDSMXUUQBLJQP-IEZWGBDMSA-N 2 1 371.481 3.455 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCc3c[nH+]c4n3CCCC4)ccc21 ZINC000575631592 505985875 /nfs/dbraw/zinc/98/58/75/505985875.db2.gz CJNVFEPDQZTGNX-SFHVURJKSA-N 2 1 353.470 3.090 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578652729 505990229 /nfs/dbraw/zinc/99/02/29/505990229.db2.gz VSVGIAKLTFASCA-RBSFLKMASA-N 2 1 369.431 3.354 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000364853524 498174496 /nfs/dbraw/zinc/17/44/96/498174496.db2.gz ZVIXKSWSHXQPNP-BHYGNILZSA-N 2 1 351.922 3.213 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CN4CCCC[C@H]4CO2)C3)cc1 ZINC000364927847 498213589 /nfs/dbraw/zinc/21/35/89/498213589.db2.gz CPJHCUNSNJGAHV-SPHOGXRMSA-N 2 1 369.553 3.025 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnn(CC(F)F)c1 ZINC000293038934 498245964 /nfs/dbraw/zinc/24/59/64/498245964.db2.gz QZIGVHXQFRFVRN-UHFFFAOYSA-N 2 1 366.456 3.159 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)CC1 ZINC000286263291 498343279 /nfs/dbraw/zinc/34/32/79/498343279.db2.gz VBTIPBGDSYLGQI-QFIPXVFZSA-N 2 1 369.509 3.074 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000289984590 498382236 /nfs/dbraw/zinc/38/22/36/498382236.db2.gz YATSNUPKWJSSTL-BAGYTPMASA-N 2 1 369.553 3.134 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000569834781 506027996 /nfs/dbraw/zinc/02/79/96/506027996.db2.gz PYLDNHKHVUXSDE-SFHVURJKSA-N 2 1 373.541 3.040 20 0 FGADMP CCN(C(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575889066 506027081 /nfs/dbraw/zinc/02/70/81/506027081.db2.gz FHWOKIPQGSUMHK-NZSAHSFTSA-N 2 1 367.497 3.195 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000581610500 506027208 /nfs/dbraw/zinc/02/72/08/506027208.db2.gz QSKIFJGJNCGMTH-HXUWFJFHSA-N 2 1 357.542 3.223 20 0 FGADMP CCN1CC[C@H]([NH2+]CCCc2c[nH+]cn2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000581615767 506028546 /nfs/dbraw/zinc/02/85/46/506028546.db2.gz SDTNIRNIFCUVJS-PKOBYXMFSA-N 2 1 366.431 3.195 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1O ZINC000290049848 498408007 /nfs/dbraw/zinc/40/80/07/498408007.db2.gz BXSJWTQXNJZMIK-CQSZACIVSA-N 2 1 356.470 3.127 20 0 FGADMP C[C@H](C(=O)NCc1cccs1)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199393 498419806 /nfs/dbraw/zinc/41/98/06/498419806.db2.gz XAHDUBIZMKDZHK-CVEARBPZSA-N 2 1 372.538 3.165 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H](NC[C@@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900788 498437867 /nfs/dbraw/zinc/43/78/67/498437867.db2.gz RIUCHQKBVGTOBT-PXNSSMCTSA-N 2 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900788 498437873 /nfs/dbraw/zinc/43/78/73/498437873.db2.gz RIUCHQKBVGTOBT-PXNSSMCTSA-N 3 1 355.526 3.049 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)c1ccccc1O2 ZINC000361900788 498437877 /nfs/dbraw/zinc/43/78/77/498437877.db2.gz RIUCHQKBVGTOBT-PXNSSMCTSA-N 3 1 355.526 3.049 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1OC ZINC000575923527 506033843 /nfs/dbraw/zinc/03/38/43/506033843.db2.gz UNNROEHVODLTNT-FPMFFAJLSA-N 2 1 369.303 3.026 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Br)c1OC ZINC000575923527 506033845 /nfs/dbraw/zinc/03/38/45/506033845.db2.gz UNNROEHVODLTNT-FPMFFAJLSA-N 2 1 369.303 3.026 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)oc1C ZINC000578846613 506035019 /nfs/dbraw/zinc/03/50/19/506035019.db2.gz LFRDXAQXBVQXHA-SLFFLAALSA-N 3 1 360.546 3.014 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000365433052 498465068 /nfs/dbraw/zinc/46/50/68/498465068.db2.gz WNMHJIVSBRLHRM-VCWRXUFXSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000293766375 498481526 /nfs/dbraw/zinc/48/15/26/498481526.db2.gz KLCAJXAMJFMTDF-DNVCBOLYSA-N 2 1 358.461 3.015 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000293766375 498481533 /nfs/dbraw/zinc/48/15/33/498481533.db2.gz KLCAJXAMJFMTDF-DNVCBOLYSA-N 2 1 358.461 3.015 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000290253007 498483204 /nfs/dbraw/zinc/48/32/04/498483204.db2.gz KAEQSPLZZRABJC-ZWKOTPCHSA-N 2 1 362.514 3.279 20 0 FGADMP Cc1cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)oc1C ZINC000282390658 498491623 /nfs/dbraw/zinc/49/16/23/498491623.db2.gz XLBITBNXJZNUQI-JXFKEZNVSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)oc1C ZINC000282390658 498491628 /nfs/dbraw/zinc/49/16/28/498491628.db2.gz XLBITBNXJZNUQI-JXFKEZNVSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)oc1C ZINC000282390658 498491635 /nfs/dbraw/zinc/49/16/35/498491635.db2.gz XLBITBNXJZNUQI-JXFKEZNVSA-N 2 1 369.509 3.445 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000575963145 506043291 /nfs/dbraw/zinc/04/32/91/506043291.db2.gz FIXKXEMBLYDNON-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294683 498499796 /nfs/dbraw/zinc/49/97/96/498499796.db2.gz YETYAZXASSMTRW-UYAOXDASSA-N 2 1 355.530 3.294 20 0 FGADMP Cc1ccncc1CCC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000290376350 498528575 /nfs/dbraw/zinc/52/85/75/498528575.db2.gz NRXGQQBGPBVZBG-QFIPXVFZSA-N 2 1 353.510 3.069 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999717 506052493 /nfs/dbraw/zinc/05/24/93/506052493.db2.gz LJJSBEGXNNFBJU-SPSFWMDKSA-N 2 1 372.321 3.324 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC[S@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999717 506052498 /nfs/dbraw/zinc/05/24/98/506052498.db2.gz LJJSBEGXNNFBJU-SPSFWMDKSA-N 2 1 372.321 3.324 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000365624222 498562890 /nfs/dbraw/zinc/56/28/90/498562890.db2.gz GXIIVJJQMHENMX-CYBMUJFWSA-N 2 1 366.387 3.257 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000365624731 498564926 /nfs/dbraw/zinc/56/49/26/498564926.db2.gz DYYOBONCVDOBJH-OAQYLSRUSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000576016178 506056746 /nfs/dbraw/zinc/05/67/46/506056746.db2.gz LFLOSYGJURTQJX-DZGCQCFKSA-N 2 1 367.440 3.079 20 0 FGADMP COc1cc(Br)c(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000290540104 498590261 /nfs/dbraw/zinc/59/02/61/498590261.db2.gz REUHYBSYBZVDBR-WFASDCNBSA-N 2 1 371.319 3.238 20 0 FGADMP CC[C@@H]1CN(c2cc(N3CCCC3)ncn2)CC[N@H+]1Cc1ccccc1 ZINC000302867583 498606123 /nfs/dbraw/zinc/60/61/23/498606123.db2.gz ZPIRHITWEBWAMK-LJQANCHMSA-N 2 1 351.498 3.178 20 0 FGADMP Cc1nccn1CCC[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290654399 498635140 /nfs/dbraw/zinc/63/51/40/498635140.db2.gz ZFZIVXGFKVQARP-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000290654399 498635154 /nfs/dbraw/zinc/63/51/54/498635154.db2.gz ZFZIVXGFKVQARP-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000303067021 498645843 /nfs/dbraw/zinc/64/58/43/498645843.db2.gz NKBKGAWTJOFAPV-ZCNNSNEGSA-N 2 1 366.594 3.164 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879669 498684729 /nfs/dbraw/zinc/68/47/29/498684729.db2.gz KIPWNAQXKCNVJI-YADHBBJMSA-N 2 1 369.553 3.374 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)cn1 ZINC000287265616 498694074 /nfs/dbraw/zinc/69/40/74/498694074.db2.gz ARFVJIMCPYWPSX-YJBOKZPZSA-N 2 1 373.472 3.037 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)cn1 ZINC000287265616 498694069 /nfs/dbraw/zinc/69/40/69/498694069.db2.gz ARFVJIMCPYWPSX-YJBOKZPZSA-N 2 1 373.472 3.037 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c(F)cn1 ZINC000287265609 498694482 /nfs/dbraw/zinc/69/44/82/498694482.db2.gz ARFVJIMCPYWPSX-QAPCUYQASA-N 2 1 373.472 3.037 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c(F)cn1 ZINC000287265609 498694490 /nfs/dbraw/zinc/69/44/90/498694490.db2.gz ARFVJIMCPYWPSX-QAPCUYQASA-N 2 1 373.472 3.037 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)C1 ZINC000298223393 498700694 /nfs/dbraw/zinc/70/06/94/498700694.db2.gz AQROGTMBQHUNDO-QZTJIDSGSA-N 2 1 363.509 3.497 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000311517480 498752217 /nfs/dbraw/zinc/75/22/17/498752217.db2.gz OTPXHHGHQZKQEE-FQEVSTJZSA-N 3 1 350.510 3.162 20 0 FGADMP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737009 498764321 /nfs/dbraw/zinc/76/43/21/498764321.db2.gz XEDVMHRWKDIIEY-FCHUYYIVSA-N 2 1 368.521 3.100 20 0 FGADMP C[C@@H](C[NH2+]Cc1cc2c(c(Br)c1)OCO2)C[NH+]1CCCCC1 ZINC000314482950 498777692 /nfs/dbraw/zinc/77/76/92/498777692.db2.gz AHZBBNPBECQRKE-ZDUSSCGKSA-N 2 1 369.303 3.389 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000363358718 498779284 /nfs/dbraw/zinc/77/92/84/498779284.db2.gz JGPLSIKUAULPBF-QPIRBTGLSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294719354 498781663 /nfs/dbraw/zinc/78/16/63/498781663.db2.gz BSMLQSYSBPKALI-APWZRJJASA-N 2 1 357.523 3.085 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366167404 498805954 /nfs/dbraw/zinc/80/59/54/498805954.db2.gz DYQDKTDPHQXIQI-HSZRJFAPSA-N 2 1 365.521 3.390 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCOC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000294843679 498824187 /nfs/dbraw/zinc/82/41/87/498824187.db2.gz UHPVNRXGIBSPNQ-LVCYWYKZSA-N 2 1 358.526 3.487 20 0 FGADMP Cc1cccc2oc(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@H]3C)nc21 ZINC000366208834 498825165 /nfs/dbraw/zinc/82/51/65/498825165.db2.gz KDAILCGKBBPRQE-FGTMMUONSA-N 2 1 357.498 3.158 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259253 498845667 /nfs/dbraw/zinc/84/56/67/498845667.db2.gz NGQNIAOAVVXTJH-LZQZEXGQSA-N 2 1 363.933 3.293 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(F)cn1 ZINC000287729800 498849463 /nfs/dbraw/zinc/84/94/63/498849463.db2.gz PBQFKNPRIHBWMW-HNNXBMFYSA-N 2 1 361.461 3.411 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1OCC(F)F ZINC000295020659 498881407 /nfs/dbraw/zinc/88/14/07/498881407.db2.gz NEHAJVMPSZEJLL-GOOCMWNKSA-N 2 1 370.440 3.063 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1OCC(F)F ZINC000295020659 498881411 /nfs/dbraw/zinc/88/14/11/498881411.db2.gz NEHAJVMPSZEJLL-GOOCMWNKSA-N 2 1 370.440 3.063 20 0 FGADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCO1 ZINC000287889628 498894141 /nfs/dbraw/zinc/89/41/41/498894141.db2.gz YYDUVTNHRIZBKG-KURKYZTESA-N 2 1 356.432 3.251 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416040 498915574 /nfs/dbraw/zinc/91/55/74/498915574.db2.gz DJUOSHBIGBGPAP-XPYUAMARSA-N 2 1 363.933 3.227 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003373 506111060 /nfs/dbraw/zinc/11/10/60/506111060.db2.gz HGOLYTUUAYBKFJ-QZTJIDSGSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003373 506111062 /nfs/dbraw/zinc/11/10/62/506111062.db2.gz HGOLYTUUAYBKFJ-QZTJIDSGSA-N 2 1 365.477 3.349 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000298958111 498925903 /nfs/dbraw/zinc/92/59/03/498925903.db2.gz CTHIWDHDFYQADV-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H](N[C@@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467133 498941290 /nfs/dbraw/zinc/94/12/90/498941290.db2.gz BFJCCOSBIXQIGQ-GGPKGHCWSA-N 2 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467133 498941298 /nfs/dbraw/zinc/94/12/98/498941298.db2.gz BFJCCOSBIXQIGQ-GGPKGHCWSA-N 3 1 355.526 3.191 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)c1ccccc1O2 ZINC000366467133 498941305 /nfs/dbraw/zinc/94/13/05/498941305.db2.gz BFJCCOSBIXQIGQ-GGPKGHCWSA-N 3 1 355.526 3.191 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513326 498961054 /nfs/dbraw/zinc/96/10/54/498961054.db2.gz LZASYROCXPNXKW-MJGOQNOKSA-N 2 1 374.529 3.075 20 0 FGADMP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000363779545 498987890 /nfs/dbraw/zinc/98/78/90/498987890.db2.gz AMXCPFUYDZDNHM-HXUWFJFHSA-N 2 1 355.530 3.111 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000299232242 499000649 /nfs/dbraw/zinc/00/06/49/499000649.db2.gz HVVXDKXHHLMAHI-KRWDZBQOSA-N 2 1 354.498 3.244 20 0 FGADMP C[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C2CC2)C1 ZINC000295413195 499009385 /nfs/dbraw/zinc/00/93/85/499009385.db2.gz SNNJCIHGCZIJLV-LJQANCHMSA-N 2 1 369.553 3.231 20 0 FGADMP Oc1cccc2c1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000284029193 499033944 /nfs/dbraw/zinc/03/39/44/499033944.db2.gz JEZVIKNLLYQSNG-NRFANRHFSA-N 2 1 352.478 3.392 20 0 FGADMP CCC[C@H](CC)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363990660 499077604 /nfs/dbraw/zinc/07/76/04/499077604.db2.gz ADLCLGUHYCVKGT-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc(N2CCC(c3nc(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)no3)CC2)[nH+]c1 ZINC000364008482 499084176 /nfs/dbraw/zinc/08/41/76/499084176.db2.gz NYYBASZMCJYILU-AYHJJNSGSA-N 2 1 367.497 3.497 20 0 FGADMP Cc1ccc(N2CCC(c3nc(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)no3)CC2)[nH+]c1 ZINC000364008482 499084181 /nfs/dbraw/zinc/08/41/81/499084181.db2.gz NYYBASZMCJYILU-AYHJJNSGSA-N 2 1 367.497 3.497 20 0 FGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576337834 506134522 /nfs/dbraw/zinc/13/45/22/506134522.db2.gz UUBUHLQVJUHULF-GMAHTHKFSA-N 2 1 366.505 3.299 20 0 FGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576337834 506134524 /nfs/dbraw/zinc/13/45/24/506134524.db2.gz UUBUHLQVJUHULF-GMAHTHKFSA-N 2 1 366.505 3.299 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366911480 499113628 /nfs/dbraw/zinc/11/36/28/499113628.db2.gz JUOYERZJOCKHGT-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366911480 499113632 /nfs/dbraw/zinc/11/36/32/499113632.db2.gz JUOYERZJOCKHGT-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1 ZINC000372557751 499145694 /nfs/dbraw/zinc/14/56/94/499145694.db2.gz OVUZDRPNCQUWGS-BCDXTJNWSA-N 2 1 351.535 3.383 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000367111300 499150405 /nfs/dbraw/zinc/15/04/05/499150405.db2.gz VUPLYCDEKCGDOC-QGZVFWFLSA-N 2 1 372.944 3.348 20 0 FGADMP c1[nH+]c([C@@H]2CCCN(Cc3nnc(C4CC4)n3C3CC3)C2)n2c1CCCC2 ZINC000370017105 499167161 /nfs/dbraw/zinc/16/71/61/499167161.db2.gz DOKWNIOEOJLILZ-MRXNPFEDSA-N 2 1 366.513 3.403 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000372795633 499176346 /nfs/dbraw/zinc/17/63/46/499176346.db2.gz ADIAFLJHGMBWQB-GOSISDBHSA-N 2 1 359.562 3.306 20 0 FGADMP CN(CC[N@H+](C)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372798540 499176617 /nfs/dbraw/zinc/17/66/17/499176617.db2.gz FXRZUMRBCTVNSU-UHFFFAOYSA-N 2 1 370.516 3.249 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(F)cc1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372798540 499176618 /nfs/dbraw/zinc/17/66/18/499176618.db2.gz FXRZUMRBCTVNSU-UHFFFAOYSA-N 2 1 370.516 3.249 20 0 FGADMP Cc1ccncc1CCC[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000367377924 499191377 /nfs/dbraw/zinc/19/13/77/499191377.db2.gz NFCRVXLZQZPHDX-ROUUACIJSA-N 2 1 362.518 3.324 20 0 FGADMP CC(C)c1[nH]ccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367596627 499216086 /nfs/dbraw/zinc/21/60/86/499216086.db2.gz QSDSSHDFJTZFAO-UHFFFAOYSA-N 2 1 374.573 3.406 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000367605898 499216999 /nfs/dbraw/zinc/21/69/99/499216999.db2.gz IIAPBLUIRFPRDB-HKBOAZHASA-N 2 1 355.526 3.275 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@@H]2CCC[C@@H]21 ZINC000367611327 499217581 /nfs/dbraw/zinc/21/75/81/499217581.db2.gz BQMSNTYGXAQPPV-FHWLQOOXSA-N 2 1 353.466 3.494 20 0 FGADMP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1cccc(C)c1 ZINC000367619450 499218585 /nfs/dbraw/zinc/21/85/85/499218585.db2.gz WLSUIVLKXLMYRA-NRFANRHFSA-N 2 1 369.557 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370695616 499245115 /nfs/dbraw/zinc/24/51/15/499245115.db2.gz BUIDNBHTHKQNMC-AUSIDOKSSA-N 2 1 364.537 3.206 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705974 499246355 /nfs/dbraw/zinc/24/63/55/499246355.db2.gz KQOWTPFNISFMTI-CVDCTZTESA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705974 499246357 /nfs/dbraw/zinc/24/63/57/499246357.db2.gz KQOWTPFNISFMTI-CVDCTZTESA-N 2 1 371.569 3.466 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H](C2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000370718966 499247807 /nfs/dbraw/zinc/24/78/07/499247807.db2.gz HNMQEKDOPSXQPU-FQEVSTJZSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000370772359 499253320 /nfs/dbraw/zinc/25/33/20/499253320.db2.gz KXQMKGQKAYHQQW-ADNIJMRFSA-N 2 1 363.505 3.084 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368025677 499256845 /nfs/dbraw/zinc/25/68/45/499256845.db2.gz XWQXAEBGYBRNFO-UMSONDCASA-N 2 1 371.525 3.058 20 0 FGADMP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153847 499269616 /nfs/dbraw/zinc/26/96/16/499269616.db2.gz WHXAIMABBWWLQY-LPHOPBHVSA-N 2 1 368.481 3.120 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)cc2)C1 ZINC000368153847 499269618 /nfs/dbraw/zinc/26/96/18/499269618.db2.gz WHXAIMABBWWLQY-LPHOPBHVSA-N 2 1 368.481 3.120 20 0 FGADMP C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421217 499294166 /nfs/dbraw/zinc/29/41/66/499294166.db2.gz BZJFPIDSXLHHHO-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000371205857 499298413 /nfs/dbraw/zinc/29/84/13/499298413.db2.gz VOFFGXOJVDNBQB-OAQYLSRUSA-N 2 1 357.473 3.159 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505030 499302788 /nfs/dbraw/zinc/30/27/88/499302788.db2.gz TYIPWITXDJVLLQ-GOTSBHOMSA-N 2 1 371.569 3.228 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCc3c2cnn3CCO)cc1 ZINC000368564079 499307789 /nfs/dbraw/zinc/30/77/89/499307789.db2.gz OXSYYBDXNPGYQP-QRWLVFNGSA-N 2 1 365.481 3.098 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC(F)F)c(F)c3)C2)CC1 ZINC000371336214 499312665 /nfs/dbraw/zinc/31/26/65/499312665.db2.gz OBQJOMHOFOPASL-MRXNPFEDSA-N 2 1 371.447 3.027 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)CC1 ZINC000371336214 499312667 /nfs/dbraw/zinc/31/26/67/499312667.db2.gz OBQJOMHOFOPASL-MRXNPFEDSA-N 2 1 371.447 3.027 20 0 FGADMP O=C(NC[C@@H](NCc1ccccc1)c1ccco1)[C@H]1CCCc2[nH+]ccn21 ZINC000368648160 499317096 /nfs/dbraw/zinc/31/70/96/499317096.db2.gz RHUMCVOCDNHSAH-QZTJIDSGSA-N 2 1 364.449 3.001 20 0 FGADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC1CC[NH+](Cc2ccccn2)CC1 ZINC000371489992 499333468 /nfs/dbraw/zinc/33/34/68/499333468.db2.gz UGRQWPFNLMWDSF-PKTZIBPZSA-N 2 1 364.537 3.253 20 0 FGADMP Cc1ncc(CN2CC[C@H]([NH2+]CCCCn3cc[nH+]c3C)[C@@H](C)C2)s1 ZINC000368949912 499349659 /nfs/dbraw/zinc/34/96/59/499349659.db2.gz KKPHLALHUMXUBA-KXBFYZLASA-N 2 1 361.559 3.237 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000368994021 499354615 /nfs/dbraw/zinc/35/46/15/499354615.db2.gz XEQVCJMTNNLCDW-QPIRBTGLSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369269225 499385667 /nfs/dbraw/zinc/38/56/67/499385667.db2.gz VTVJWZDJIBRRMQ-OXQOHEQNSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369269225 499385669 /nfs/dbraw/zinc/38/56/69/499385669.db2.gz VTVJWZDJIBRRMQ-OXQOHEQNSA-N 2 1 372.944 3.346 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399203 499399668 /nfs/dbraw/zinc/39/96/68/499399668.db2.gz SFHCUUCGQQLMIX-FQEVSTJZSA-N 2 1 368.525 3.250 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000369399203 499399670 /nfs/dbraw/zinc/39/96/70/499399670.db2.gz SFHCUUCGQQLMIX-FQEVSTJZSA-N 2 1 368.525 3.250 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581250 499422017 /nfs/dbraw/zinc/42/20/17/499422017.db2.gz ZWACUUZPHRATMH-IAGOWNOFSA-N 2 1 360.546 3.122 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581250 499422018 /nfs/dbraw/zinc/42/20/18/499422018.db2.gz ZWACUUZPHRATMH-IAGOWNOFSA-N 2 1 360.546 3.122 20 0 FGADMP CC(C)[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CS1 ZINC000372980717 499445618 /nfs/dbraw/zinc/44/56/18/499445618.db2.gz PGZAYHCFIFPWDZ-AZUAARDMSA-N 3 1 353.620 3.302 20 0 FGADMP CC(C)c1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373447180 499470146 /nfs/dbraw/zinc/47/01/46/499470146.db2.gz HWLOFYUNZHMREX-NLWGTHIKSA-N 2 1 373.541 3.228 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000373698965 499483877 /nfs/dbraw/zinc/48/38/77/499483877.db2.gz WFYXLTRAOKUMEG-FDFHNCONSA-N 2 1 358.526 3.204 20 0 FGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@H]3C)c[nH]c21 ZINC000378185924 499488550 /nfs/dbraw/zinc/48/85/50/499488550.db2.gz VCGNSILVAFIDIT-YFVAEKQCSA-N 2 1 355.526 3.498 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1Cl ZINC000375294975 499503988 /nfs/dbraw/zinc/50/39/88/499503988.db2.gz XXHJGFQISUWMCZ-KJGCVMFHSA-N 2 1 367.921 3.284 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1Cl ZINC000375294975 499503990 /nfs/dbraw/zinc/50/39/90/499503990.db2.gz XXHJGFQISUWMCZ-KJGCVMFHSA-N 2 1 367.921 3.284 20 0 FGADMP CC(C)(C)c1ccc(OC[C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000576393064 506147672 /nfs/dbraw/zinc/14/76/72/506147672.db2.gz OUGMUIQNPJXHFS-SOAGJPPSSA-N 2 1 360.542 3.330 20 0 FGADMP Cc1nc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)c2n1CCCC2 ZINC000378425172 499515610 /nfs/dbraw/zinc/51/56/10/499515610.db2.gz FLBXWHLWHWSVNU-INIZCTEOSA-N 2 1 356.514 3.319 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](c1ccccc1)C(C)C ZINC000378436199 499516700 /nfs/dbraw/zinc/51/67/00/499516700.db2.gz VRJXFKIAAMJDHT-OAQYLSRUSA-N 2 1 369.557 3.357 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000378435548 499516757 /nfs/dbraw/zinc/51/67/57/499516757.db2.gz OEZQJYMUSQEOBM-OAQYLSRUSA-N 2 1 361.599 3.269 20 0 FGADMP Cc1ccsc1CNC(=O)CNC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375488554 499525169 /nfs/dbraw/zinc/52/51/69/499525169.db2.gz VLUKZLUOYBYRGW-WIYYLYMNSA-N 2 1 371.550 3.345 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375488554 499525171 /nfs/dbraw/zinc/52/51/71/499525171.db2.gz VLUKZLUOYBYRGW-WIYYLYMNSA-N 2 1 371.550 3.345 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375488554 499525173 /nfs/dbraw/zinc/52/51/73/499525173.db2.gz VLUKZLUOYBYRGW-WIYYLYMNSA-N 2 1 371.550 3.345 20 0 FGADMP Cc1ncc(C[N@@H+]2CC[C@H](NCC(=O)Nc3ccc(C)cc3)[C@H](C)C2)s1 ZINC000375509476 499527109 /nfs/dbraw/zinc/52/71/09/499527109.db2.gz LAKZCQGGNCVPNO-BEFAXECRSA-N 2 1 372.538 3.199 20 0 FGADMP Cc1ncc(C[N@H+]2CC[C@H](NCC(=O)Nc3ccc(C)cc3)[C@H](C)C2)s1 ZINC000375509476 499527110 /nfs/dbraw/zinc/52/71/10/499527110.db2.gz LAKZCQGGNCVPNO-BEFAXECRSA-N 2 1 372.538 3.199 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000576409800 506151321 /nfs/dbraw/zinc/15/13/21/506151321.db2.gz CCMOLKYTJZSIDV-QGZVFWFLSA-N 2 1 371.516 3.124 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614912 499537754 /nfs/dbraw/zinc/53/77/54/499537754.db2.gz FQIYGMWCFFYTPK-LVNJIZSUSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1 ZINC000378614912 499537755 /nfs/dbraw/zinc/53/77/55/499537755.db2.gz FQIYGMWCFFYTPK-LVNJIZSUSA-N 2 1 359.514 3.185 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000576396820 506148891 /nfs/dbraw/zinc/14/88/91/506148891.db2.gz MCKRMNBCTKWCGA-ROUUACIJSA-N 2 1 365.468 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000576396820 506148895 /nfs/dbraw/zinc/14/88/95/506148895.db2.gz MCKRMNBCTKWCGA-ROUUACIJSA-N 2 1 365.468 3.124 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Br)cc2Cl)CC1 ZINC000576400166 506149295 /nfs/dbraw/zinc/14/92/95/506149295.db2.gz YZSULRATBHDHFM-CVEARBPZSA-N 2 1 373.722 3.431 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000375694678 499546153 /nfs/dbraw/zinc/54/61/53/499546153.db2.gz YYLMSPAAHOMCFS-HXUWFJFHSA-N 2 1 370.541 3.313 20 0 FGADMP CC(C)(C)OC(=O)N1CCC2(CC[N@@H+]2CCC[NH+]2CCCCC2)CC1 ZINC000375702958 499547456 /nfs/dbraw/zinc/54/74/56/499547456.db2.gz JFNVRQBPZJJRSM-UHFFFAOYSA-N 2 1 351.535 3.338 20 0 FGADMP CC(C)(C)OC(=O)N1CCC2(CC[N@H+]2CCC[NH+]2CCCCC2)CC1 ZINC000375702958 499547457 /nfs/dbraw/zinc/54/74/57/499547457.db2.gz JFNVRQBPZJJRSM-UHFFFAOYSA-N 2 1 351.535 3.338 20 0 FGADMP c1cc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)ccn1 ZINC000376004584 499575421 /nfs/dbraw/zinc/57/54/21/499575421.db2.gz STDIMZNFGNIJJB-JOCHJYFZSA-N 2 1 356.558 3.433 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376178145 499589082 /nfs/dbraw/zinc/58/90/82/499589082.db2.gz ODTFAIHQBBZAOW-QGZVFWFLSA-N 2 1 360.546 3.197 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C1CCN(Cc2ccncc2)CC1 ZINC000376547372 499617294 /nfs/dbraw/zinc/61/72/94/499617294.db2.gz SUWNQCVJDKFOBM-OAQYLSRUSA-N 2 1 373.928 3.235 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000377112186 499663321 /nfs/dbraw/zinc/66/33/21/499663321.db2.gz KFSIMSNVVMIAQV-UHFFFAOYSA-N 2 1 369.513 3.061 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235690 499672639 /nfs/dbraw/zinc/67/26/39/499672639.db2.gz DAVASMGOHOQVDC-ICSRJNTNSA-N 2 1 357.542 3.075 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377626127 499712086 /nfs/dbraw/zinc/71/20/86/499712086.db2.gz NCZRJRXNQVPNFN-OAQYLSRUSA-N 2 1 364.537 3.208 20 0 FGADMP C[C@@H](CC[NH+](C)[C@@H]1CCN(C)[C@H](C)C1)CC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000411331385 499726531 /nfs/dbraw/zinc/72/65/31/499726531.db2.gz MMYCYJYKABSOMU-CSEOROSGSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H](CC[NH+](C)[C@H]1CCN(C)[C@H](C)C1)CC[N@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331385 499726532 /nfs/dbraw/zinc/72/65/32/499726532.db2.gz MMYCYJYKABSOMU-CSEOROSGSA-N 2 1 366.638 3.232 20 0 FGADMP C[C@H](CC[NH+](C)[C@H]1CCN(C)[C@H](C)C1)CC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000411331385 499726533 /nfs/dbraw/zinc/72/65/33/499726533.db2.gz MMYCYJYKABSOMU-CSEOROSGSA-N 2 1 366.638 3.232 20 0 FGADMP COC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741914 499727192 /nfs/dbraw/zinc/72/71/92/499727192.db2.gz XDNQMJAOJYITLK-RBBKRZOGSA-N 2 1 360.542 3.320 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000411447687 499741584 /nfs/dbraw/zinc/74/15/84/499741584.db2.gz QRVKVBWSNBXRIU-FQEVSTJZSA-N 2 1 355.526 3.131 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)N[C@H]1CCCc3ccccc31)CC2 ZINC000411447687 499741586 /nfs/dbraw/zinc/74/15/86/499741586.db2.gz QRVKVBWSNBXRIU-FQEVSTJZSA-N 2 1 355.526 3.131 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccc(Cl)c1 ZINC000377899692 499746314 /nfs/dbraw/zinc/74/63/14/499746314.db2.gz FBMMINRZUIZILJ-FUHWJXTLSA-N 2 1 361.917 3.077 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccc(Cl)c1 ZINC000377899688 499746373 /nfs/dbraw/zinc/74/63/73/499746373.db2.gz FBMMINRZUIZILJ-AEFFLSMTSA-N 2 1 361.917 3.077 20 0 FGADMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000378180957 499762321 /nfs/dbraw/zinc/76/23/21/499762321.db2.gz ARQWPVAHKUXCOX-QGZVFWFLSA-N 3 1 373.541 3.262 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130063 499762987 /nfs/dbraw/zinc/76/29/87/499762987.db2.gz VVIFBAIKBYDHOW-QGZVFWFLSA-N 2 1 358.555 3.488 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131694 499763341 /nfs/dbraw/zinc/76/33/41/499763341.db2.gz YGICHIJOAVWFAQ-XMSQKQJNSA-N 2 1 354.494 3.291 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131694 499763342 /nfs/dbraw/zinc/76/33/42/499763342.db2.gz YGICHIJOAVWFAQ-XMSQKQJNSA-N 2 1 354.494 3.291 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411665400 499775056 /nfs/dbraw/zinc/77/50/56/499775056.db2.gz KAPMBKGBZBQVTI-VXKWHMMOSA-N 2 1 358.526 3.442 20 0 FGADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000411870330 499798313 /nfs/dbraw/zinc/79/83/13/499798313.db2.gz KOWBPWPXNIGQFW-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679879 499819779 /nfs/dbraw/zinc/81/97/79/499819779.db2.gz SHCUFWYZGSRQDW-XLIONFOSSA-N 2 1 357.542 3.318 20 0 FGADMP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753831 499826913 /nfs/dbraw/zinc/82/69/13/499826913.db2.gz NAVZACBUABYYNH-QWHCGFSZSA-N 2 1 370.324 3.110 20 0 FGADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755162 499827200 /nfs/dbraw/zinc/82/72/00/499827200.db2.gz YZQLEODARXVCSQ-RBUKOAKNSA-N 2 1 357.542 3.391 20 0 FGADMP COC(=O)C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414759138 499827474 /nfs/dbraw/zinc/82/74/74/499827474.db2.gz NWPXCTAPSHPDRS-DZGCQCFKSA-N 2 1 358.404 3.069 20 0 FGADMP COC(=O)C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414759138 499827475 /nfs/dbraw/zinc/82/74/75/499827475.db2.gz NWPXCTAPSHPDRS-DZGCQCFKSA-N 2 1 358.404 3.069 20 0 FGADMP c1cc(COc2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773222 499829254 /nfs/dbraw/zinc/82/92/54/499829254.db2.gz DDZLCMLOQIVSHG-SFTDATJTSA-N 2 1 351.494 3.482 20 0 FGADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC(F)(F)F)c(Br)c1)C1CC1 ZINC000414799417 499832458 /nfs/dbraw/zinc/83/24/58/499832458.db2.gz DNTNRBFZBOLMSP-NSHDSACASA-N 2 1 353.182 3.175 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000414828874 499834991 /nfs/dbraw/zinc/83/49/91/499834991.db2.gz JRCQKLFYUHHBLL-OAQYLSRUSA-N 2 1 352.526 3.008 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000414910046 499843916 /nfs/dbraw/zinc/84/39/16/499843916.db2.gz SEFROPUAKCWMRH-HZPDHXFCSA-N 2 1 355.486 3.269 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000414909306 499844079 /nfs/dbraw/zinc/84/40/79/499844079.db2.gz RMQGBUPPXUIYCX-YJBOKZPZSA-N 2 1 355.486 3.174 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)c2C)cc1 ZINC000414918551 499844739 /nfs/dbraw/zinc/84/47/39/499844739.db2.gz UUFDRCLELYRWAC-NRFANRHFSA-N 2 1 356.514 3.036 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000414917601 499844751 /nfs/dbraw/zinc/84/47/51/499844751.db2.gz RUXVYDRYTZIGCK-MAUKXSAKSA-N 2 1 355.486 3.304 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414948649 499847999 /nfs/dbraw/zinc/84/79/99/499847999.db2.gz MMTSCOYNSBVGAE-DGCLKSJQSA-N 2 1 357.292 3.087 20 0 FGADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(Cc2ccccc2)nc1-c1ccc(OC)cc1 ZINC000414985631 499851526 /nfs/dbraw/zinc/85/15/26/499851526.db2.gz WGOBSYNFYSOQDQ-HXUWFJFHSA-N 2 1 364.493 3.434 20 0 FGADMP Cc1cccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415039208 499857013 /nfs/dbraw/zinc/85/70/13/499857013.db2.gz OTYBSHBPBQBLSM-SGRGSNTQSA-N 2 1 358.489 3.214 20 0 FGADMP Cc1ccc(-c2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)s2)cc1 ZINC000415046684 499857853 /nfs/dbraw/zinc/85/78/53/499857853.db2.gz DESIFKXYLQTRAT-UHFFFAOYSA-N 2 1 370.566 3.425 20 0 FGADMP c1ccc(CCCOc2cccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)c2)cc1 ZINC000415048830 499858048 /nfs/dbraw/zinc/85/80/48/499858048.db2.gz XMAHMJOZCTZUJC-JOCHJYFZSA-N 2 1 354.494 3.166 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1OC ZINC000415081581 499861790 /nfs/dbraw/zinc/86/17/90/499861790.db2.gz KJZUVRVNGMWXFX-RTBURBONSA-N 2 1 370.493 3.338 20 0 FGADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000415103887 499863964 /nfs/dbraw/zinc/86/39/64/499863964.db2.gz KJMRJEZDTDIIDY-KCZVDYSFSA-N 2 1 352.478 3.200 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111914 499865275 /nfs/dbraw/zinc/86/52/75/499865275.db2.gz RJUMFILJQJWXKV-VXKWHMMOSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111914 499865276 /nfs/dbraw/zinc/86/52/76/499865276.db2.gz RJUMFILJQJWXKV-VXKWHMMOSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111914 499865278 /nfs/dbraw/zinc/86/52/78/499865278.db2.gz RJUMFILJQJWXKV-VXKWHMMOSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415111914 499865280 /nfs/dbraw/zinc/86/52/80/499865280.db2.gz RJUMFILJQJWXKV-VXKWHMMOSA-N 2 1 373.585 3.363 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415133215 499868600 /nfs/dbraw/zinc/86/86/00/499868600.db2.gz UYIAXEMEWMGMQZ-VQIMIIECSA-N 2 1 355.482 3.086 20 0 FGADMP c1cc(-c2ncc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)s2)cs1 ZINC000415142051 499869475 /nfs/dbraw/zinc/86/94/75/499869475.db2.gz QPFXUPJVRQPICL-CVEARBPZSA-N 2 1 361.536 3.072 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415922962 499928695 /nfs/dbraw/zinc/92/86/95/499928695.db2.gz OFOXMOWVAZZIRS-SFHVURJKSA-N 2 1 352.482 3.050 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000415933290 499930285 /nfs/dbraw/zinc/93/02/85/499930285.db2.gz PKLKUXPNACMQEE-WOJBJXKFSA-N 2 1 352.482 3.363 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415961362 499933922 /nfs/dbraw/zinc/93/39/22/499933922.db2.gz RBXPLNXHJRAMLY-INIZCTEOSA-N 2 1 362.493 3.248 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974735 499936013 /nfs/dbraw/zinc/93/60/13/499936013.db2.gz SASZXYVMFRPRGL-IAQYHMDHSA-N 2 1 358.408 3.111 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000415972848 499936042 /nfs/dbraw/zinc/93/60/42/499936042.db2.gz NDZGNIBMEKFWOT-FQEVSTJZSA-N 2 1 366.509 3.092 20 0 FGADMP C[C@H](CCNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000428957369 499968414 /nfs/dbraw/zinc/96/84/14/499968414.db2.gz QONOHFBVXYUOIE-QZTJIDSGSA-N 2 1 362.562 3.173 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000428955850 499968455 /nfs/dbraw/zinc/96/84/55/499968455.db2.gz WINWUYSDJMJBLH-QGZVFWFLSA-N 2 1 374.573 3.099 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@@H+]2CCc3sccc3C2)cc1 ZINC000417118805 499977019 /nfs/dbraw/zinc/97/70/19/499977019.db2.gz SFYOHGAEZNSZFF-LSDHHAIUSA-N 2 1 372.538 3.014 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCc3sccc3C2)cc1 ZINC000417118805 499977023 /nfs/dbraw/zinc/97/70/23/499977023.db2.gz SFYOHGAEZNSZFF-LSDHHAIUSA-N 2 1 372.538 3.014 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098862 500003172 /nfs/dbraw/zinc/00/31/72/500003172.db2.gz QDRVSOUIEKUNSO-QFUCXCTJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000429098862 500003176 /nfs/dbraw/zinc/00/31/76/500003176.db2.gz QDRVSOUIEKUNSO-QFUCXCTJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000429098862 500003179 /nfs/dbraw/zinc/00/31/79/500003179.db2.gz QDRVSOUIEKUNSO-QFUCXCTJSA-N 2 1 370.541 3.138 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000429107982 500005241 /nfs/dbraw/zinc/00/52/41/500005241.db2.gz SCHHBOBIOLSFNJ-SFHVURJKSA-N 2 1 351.494 3.048 20 0 FGADMP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)[C@@H]2C1 ZINC000425066486 500010348 /nfs/dbraw/zinc/01/03/48/500010348.db2.gz OULDZOQTQOMBGB-WSTZPKSXSA-N 2 1 370.541 3.046 20 0 FGADMP C[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)[C@@H]2C1 ZINC000425066486 500010353 /nfs/dbraw/zinc/01/03/53/500010353.db2.gz OULDZOQTQOMBGB-WSTZPKSXSA-N 2 1 370.541 3.046 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421351366 500023015 /nfs/dbraw/zinc/02/30/15/500023015.db2.gz MHQSVBUUBUQEHI-MYGLTJDJSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@H]([NH3+])c1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000416400941 500036952 /nfs/dbraw/zinc/03/69/52/500036952.db2.gz LJAQJZDOILEDPF-HNNXBMFYSA-N 2 1 364.449 3.256 20 0 FGADMP COc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1Br ZINC000425225416 500049437 /nfs/dbraw/zinc/04/94/37/500049437.db2.gz FVDRHQNUWRDGQY-VXGBXAGGSA-N 2 1 364.287 3.322 20 0 FGADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350989 500082970 /nfs/dbraw/zinc/08/29/70/500082970.db2.gz LVFKMFRZKMZMIW-WOJBJXKFSA-N 2 1 364.555 3.160 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417585539 500117951 /nfs/dbraw/zinc/11/79/51/500117951.db2.gz PIQXGVYUEBYVOZ-DLBZAZTESA-N 2 1 360.546 3.406 20 0 FGADMP C[C@H](CNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000417589887 500119504 /nfs/dbraw/zinc/11/95/04/500119504.db2.gz QQILKXSERXIXFK-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP OCC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696695 500125526 /nfs/dbraw/zinc/12/55/26/500125526.db2.gz HCOSQYNQEFJHSW-FGZHOGPDSA-N 2 1 360.542 3.198 20 0 FGADMP OCC[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696695 500125528 /nfs/dbraw/zinc/12/55/28/500125528.db2.gz HCOSQYNQEFJHSW-FGZHOGPDSA-N 2 1 360.542 3.198 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702893 500152925 /nfs/dbraw/zinc/15/29/25/500152925.db2.gz JEOLDPDOYQXRIN-AZUAARDMSA-N 2 1 358.530 3.126 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cc4n(n3)CCC4)CC2)cs1 ZINC000414112469 500156509 /nfs/dbraw/zinc/15/65/09/500156509.db2.gz JVPXQZLUHVJMNB-OAHLLOKOSA-N 2 1 373.570 3.411 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421823692 500159535 /nfs/dbraw/zinc/15/95/35/500159535.db2.gz DTWDZFPTTXCRLC-HXUWFJFHSA-N 2 1 350.478 3.376 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)C1 ZINC000416968520 500169229 /nfs/dbraw/zinc/16/92/29/500169229.db2.gz JHTUOBKJSDDJOG-OPYAIIAOSA-N 2 1 372.557 3.045 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000416969117 500169313 /nfs/dbraw/zinc/16/93/13/500169313.db2.gz KEZJBEGZYFNCRP-ROUUACIJSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC3=CC[NH2+]CC3)cc2)C1 ZINC000416969990 500170232 /nfs/dbraw/zinc/17/02/32/500170232.db2.gz MJQVCTZKDFCXCC-GOSISDBHSA-N 2 1 370.541 3.028 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416971852 500170556 /nfs/dbraw/zinc/17/05/56/500170556.db2.gz HRMOBLZAADZXSU-LVCYWYKZSA-N 2 1 372.557 3.472 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000417837474 500181228 /nfs/dbraw/zinc/18/12/28/500181228.db2.gz MKWAUYMQIVSMSR-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000417852272 500184641 /nfs/dbraw/zinc/18/46/41/500184641.db2.gz GZLAOXUEYSPXMA-LSDHHAIUSA-N 2 1 355.486 3.011 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000417873286 500188521 /nfs/dbraw/zinc/18/85/21/500188521.db2.gz IZSZPMNJNVXPNH-RTWAWAEBSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000417884524 500191813 /nfs/dbraw/zinc/19/18/13/500191813.db2.gz TWFHQYJMDXKYBB-UHFFFAOYSA-N 2 1 360.546 3.250 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417998098 500211605 /nfs/dbraw/zinc/21/16/05/500211605.db2.gz HYORHPIJCMOAFL-HOTGVXAUSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417998098 500211607 /nfs/dbraw/zinc/21/16/07/500211607.db2.gz HYORHPIJCMOAFL-HOTGVXAUSA-N 2 1 370.900 3.039 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC3C[C@H](C)C[C@@H](C)C3)CC2)CC1 ZINC000422224334 500237400 /nfs/dbraw/zinc/23/74/00/500237400.db2.gz DZEDIGVXSCOLOV-QZTJIDSGSA-N 2 1 364.578 3.013 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418151217 500238460 /nfs/dbraw/zinc/23/84/60/500238460.db2.gz FGKWSCOZKGFSFR-UXHICEINSA-N 2 1 372.557 3.058 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430546307 500251768 /nfs/dbraw/zinc/25/17/68/500251768.db2.gz JQCSKJGRBNHYQO-IBGZPJMESA-N 2 1 371.529 3.123 20 0 FGADMP C[NH+]1CCC([NH2+][C@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000426305047 500258684 /nfs/dbraw/zinc/25/86/84/500258684.db2.gz BEWHVSSSDAMYOH-DENIHFKCSA-N 2 1 370.468 3.261 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2CCC([NH3+])CC2)cc1 ZINC000430590372 500259092 /nfs/dbraw/zinc/25/90/92/500259092.db2.gz HJVTXSIJVYKBFB-UHFFFAOYSA-N 2 1 362.477 3.471 20 0 FGADMP CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418431391 500275987 /nfs/dbraw/zinc/27/59/87/500275987.db2.gz WZGCWQIYWNABDM-MJGOQNOKSA-N 2 1 360.546 3.371 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000418457114 500279176 /nfs/dbraw/zinc/27/91/76/500279176.db2.gz GNAASDQQRADVKV-GOSISDBHSA-N 2 1 366.509 3.124 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418458368 500279599 /nfs/dbraw/zinc/27/95/99/500279599.db2.gz FMVCBQMKWIKCBV-PMACEKPBSA-N 2 1 360.546 3.058 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734166 500291619 /nfs/dbraw/zinc/29/16/19/500291619.db2.gz SCWPBIMMGCMFOA-SOABOVLPSA-N 2 1 353.432 3.152 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@@H](NC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000422734166 500291622 /nfs/dbraw/zinc/29/16/22/500291622.db2.gz SCWPBIMMGCMFOA-SOABOVLPSA-N 2 1 353.432 3.152 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739826 500292168 /nfs/dbraw/zinc/29/21/68/500292168.db2.gz LXOYWDHRNHOLGP-SYYKKAFVSA-N 2 1 357.542 3.487 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739826 500292169 /nfs/dbraw/zinc/29/21/69/500292169.db2.gz LXOYWDHRNHOLGP-SYYKKAFVSA-N 2 1 357.542 3.487 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418601951 500295603 /nfs/dbraw/zinc/29/56/03/500295603.db2.gz ABWIIJSGPRRSLJ-FPOVZHCZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771240 500296006 /nfs/dbraw/zinc/29/60/06/500296006.db2.gz XFUGYHHDQVVLAZ-ZWCUEREDSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422771240 500296008 /nfs/dbraw/zinc/29/60/08/500296008.db2.gz XFUGYHHDQVVLAZ-ZWCUEREDSA-N 2 1 357.542 3.342 20 0 FGADMP C[N@@H+](CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804121 500300490 /nfs/dbraw/zinc/30/04/90/500300490.db2.gz KBAWXJLYWCNFMK-RBBKRZOGSA-N 2 1 357.542 3.487 20 0 FGADMP C[N@H+](CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804121 500300491 /nfs/dbraw/zinc/30/04/91/500300491.db2.gz KBAWXJLYWCNFMK-RBBKRZOGSA-N 3 1 357.542 3.487 20 0 FGADMP C[N@@H+](CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804121 500300494 /nfs/dbraw/zinc/30/04/94/500300494.db2.gz KBAWXJLYWCNFMK-RBBKRZOGSA-N 3 1 357.542 3.487 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@@H]3CCCCN3)CC2)c1 ZINC000422812477 500301467 /nfs/dbraw/zinc/30/14/67/500301467.db2.gz QKYINDBXCGCPME-IRLDBZIGSA-N 2 1 358.574 3.017 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000418660792 500303606 /nfs/dbraw/zinc/30/36/06/500303606.db2.gz OFEGXMZMKPTDGY-SESVDKBCSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000422849022 500305303 /nfs/dbraw/zinc/30/53/03/500305303.db2.gz LAMTXQNERPXYNC-JQHSSLGASA-N 2 1 358.530 3.079 20 0 FGADMP C(N[C@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1([NH+]2CCSCC2)CCCC1 ZINC000422853916 500306275 /nfs/dbraw/zinc/30/62/75/500306275.db2.gz ZLJAAJVEMZXKAV-QRVBRYPASA-N 2 1 351.604 3.248 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873643 500309126 /nfs/dbraw/zinc/30/91/26/500309126.db2.gz AVOWLUDHUZJMDP-GXKRZCMTSA-N 2 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873643 500309130 /nfs/dbraw/zinc/30/91/30/500309130.db2.gz AVOWLUDHUZJMDP-GXKRZCMTSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422873643 500309132 /nfs/dbraw/zinc/30/91/32/500309132.db2.gz AVOWLUDHUZJMDP-GXKRZCMTSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430937784 500309797 /nfs/dbraw/zinc/30/97/97/500309797.db2.gz FKTHCEUDYBWFIL-CABCVRRESA-N 2 1 364.559 3.257 20 0 FGADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c2)cc1 ZINC000422888873 500311438 /nfs/dbraw/zinc/31/14/38/500311438.db2.gz OFNLALVVVRHJQO-NJDAHSKKSA-N 2 1 371.456 3.260 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000422903687 500313540 /nfs/dbraw/zinc/31/35/40/500313540.db2.gz OVVQRHCCOZLWOS-VHSSKADRSA-N 2 1 366.383 3.180 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2cccc(Cl)c2Cl)c2ccccc21 ZINC000422900462 500313707 /nfs/dbraw/zinc/31/37/07/500313707.db2.gz JHDOUUQOJWGLRR-LYRGGWFBSA-N 2 1 367.276 3.468 20 0 FGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908704 500314899 /nfs/dbraw/zinc/31/48/99/500314899.db2.gz ZAOIXOMJJREDEG-XXBNENTESA-N 2 1 351.538 3.447 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000422916281 500315900 /nfs/dbraw/zinc/31/59/00/500315900.db2.gz DFJRVIYQJGYABN-FGZHOGPDSA-N 2 1 350.510 3.381 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418763178 500320001 /nfs/dbraw/zinc/32/00/01/500320001.db2.gz HUOTWGOXBBZXCW-ICSRJNTNSA-N 2 1 364.578 3.205 20 0 FGADMP C[N@H+]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)C2(CCCCC2)C1 ZINC000431013929 500323307 /nfs/dbraw/zinc/32/33/07/500323307.db2.gz LIKYOLIXRMRFJS-UHFFFAOYSA-N 2 1 368.525 3.081 20 0 FGADMP CC[C@H]([NH2+]CCC(=O)Nc1cc(Br)ccc1C)[C@@H]1CCC[NH2+]1 ZINC000422953053 500323329 /nfs/dbraw/zinc/32/33/29/500323329.db2.gz CVBIZPFIQISMAP-GJZGRUSLSA-N 2 1 368.319 3.206 20 0 FGADMP CC[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000423008216 500330275 /nfs/dbraw/zinc/33/02/75/500330275.db2.gz ZKULJPYAILEGHA-KZNAEPCWSA-N 2 1 352.544 3.139 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050218 500335543 /nfs/dbraw/zinc/33/55/43/500335543.db2.gz YKRXFWOMJDSXPX-ZWOKBUDYSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050218 500335545 /nfs/dbraw/zinc/33/55/45/500335545.db2.gz YKRXFWOMJDSXPX-ZWOKBUDYSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050218 500335547 /nfs/dbraw/zinc/33/55/47/500335547.db2.gz YKRXFWOMJDSXPX-ZWOKBUDYSA-N 2 1 352.526 3.410 20 0 FGADMP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051037 500335839 /nfs/dbraw/zinc/33/58/39/500335839.db2.gz ZOMYQKVSCIBFDZ-BJJLKGPWSA-N 2 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051037 500335840 /nfs/dbraw/zinc/33/58/40/500335840.db2.gz ZOMYQKVSCIBFDZ-BJJLKGPWSA-N 3 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051037 500335842 /nfs/dbraw/zinc/33/58/42/500335842.db2.gz ZOMYQKVSCIBFDZ-BJJLKGPWSA-N 3 1 369.553 3.485 20 0 FGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Cl)cc1I ZINC000423086606 500340306 /nfs/dbraw/zinc/34/03/06/500340306.db2.gz MHFRPYHREDLSJY-RKDXNWHRSA-N 2 1 352.647 3.160 20 0 FGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423086899 500340683 /nfs/dbraw/zinc/34/06/83/500340683.db2.gz MWIVCLYFICMBHZ-RNCFNFMXSA-N 2 1 364.658 3.162 20 0 FGADMP CCC[N@H+](C)[C@H](CN[C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097346 500341788 /nfs/dbraw/zinc/34/17/88/500341788.db2.gz AOLLFIWUPTWLKR-AYOQOUSVSA-N 2 1 353.938 3.080 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097346 500341789 /nfs/dbraw/zinc/34/17/89/500341789.db2.gz AOLLFIWUPTWLKR-AYOQOUSVSA-N 2 1 353.938 3.080 20 0 FGADMP Cc1cc(C[NH2+][C@H](C)c2c[nH+]ccc2N)ccc1I ZINC000423095278 500341910 /nfs/dbraw/zinc/34/19/10/500341910.db2.gz LXMHMXGLGQJBEF-LLVKDONJSA-N 2 1 367.234 3.258 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2[nH]c(=O)oc2c1 ZINC000423189513 500353537 /nfs/dbraw/zinc/35/35/37/500353537.db2.gz POVYYEGUTAHCEN-IBGZPJMESA-N 2 1 354.454 3.395 20 0 FGADMP CC[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000423336797 500365588 /nfs/dbraw/zinc/36/55/88/500365588.db2.gz VDIORTDBBYNOAF-IIBYNOLFSA-N 2 1 351.494 3.273 20 0 FGADMP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423353798 500366640 /nfs/dbraw/zinc/36/66/40/500366640.db2.gz MKGWWSDQQNDJGR-LAUBAEHRSA-N 2 1 357.542 3.455 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423445080 500375493 /nfs/dbraw/zinc/37/54/93/500375493.db2.gz XHGBFZJMZRHDMF-FADBTOOJSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423445080 500375495 /nfs/dbraw/zinc/37/54/95/500375495.db2.gz XHGBFZJMZRHDMF-FADBTOOJSA-N 2 1 353.554 3.407 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000427274542 500376556 /nfs/dbraw/zinc/37/65/56/500376556.db2.gz MUVIKHYWGZUDPO-FGTMMUONSA-N 2 1 359.514 3.014 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000427274542 500376560 /nfs/dbraw/zinc/37/65/60/500376560.db2.gz MUVIKHYWGZUDPO-FGTMMUONSA-N 2 1 359.514 3.014 20 0 FGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423461914 500376841 /nfs/dbraw/zinc/37/68/41/500376841.db2.gz OPWODRWVLSVYKX-XMBDKHIGSA-N 2 1 353.554 3.393 20 0 FGADMP CCN(C(=O)C[C@@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000427288520 500378012 /nfs/dbraw/zinc/37/80/12/500378012.db2.gz PVKSPORJSFDMQV-SBHAEUEKSA-N 2 1 357.542 3.450 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423490282 500378861 /nfs/dbraw/zinc/37/88/61/500378861.db2.gz HQOOJLQCBWXCHQ-RTWAWAEBSA-N 2 1 358.457 3.086 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@H]5C4)[C@@H]3C2)cc1 ZINC000423551897 500384415 /nfs/dbraw/zinc/38/44/15/500384415.db2.gz URQNWFPVWTZSLK-NCKLTAKHSA-N 3 1 353.554 3.265 20 0 FGADMP O=C(NCCC[C@@H]1CCC[NH2+]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423707561 500395900 /nfs/dbraw/zinc/39/59/00/500395900.db2.gz SXAIYTSYAISJME-ROUUACIJSA-N 2 1 358.530 3.142 20 0 FGADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)cc1 ZINC000423734537 500397390 /nfs/dbraw/zinc/39/73/90/500397390.db2.gz QZZNZKGPHAGGHA-NRFANRHFSA-N 2 1 373.541 3.027 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)cc1 ZINC000423734537 500397392 /nfs/dbraw/zinc/39/73/92/500397392.db2.gz QZZNZKGPHAGGHA-NRFANRHFSA-N 2 1 373.541 3.027 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423868336 500414041 /nfs/dbraw/zinc/41/40/41/500414041.db2.gz NDELAXKEACJMLV-FIKGOQFSSA-N 2 1 351.494 3.347 20 0 FGADMP C[C@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000431778003 500423538 /nfs/dbraw/zinc/42/35/38/500423538.db2.gz FXKIAJAOVLPSCG-GCJKJVERSA-N 2 1 365.521 3.242 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779981 500423713 /nfs/dbraw/zinc/42/37/13/500423713.db2.gz WBRLTKGGCGIANK-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431779981 500423717 /nfs/dbraw/zinc/42/37/17/500423717.db2.gz WBRLTKGGCGIANK-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431779981 500423718 /nfs/dbraw/zinc/42/37/18/500423718.db2.gz WBRLTKGGCGIANK-MSOLQXFVSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@]1(C)C[NH3+] ZINC000423976724 500428565 /nfs/dbraw/zinc/42/85/65/500428565.db2.gz RXMJQQPYDKIUTJ-WZONZLPQSA-N 2 1 365.521 3.376 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000420296605 500436136 /nfs/dbraw/zinc/43/61/36/500436136.db2.gz XGABAMFFUSTWGX-MLGOLLRUSA-N 2 1 361.287 3.075 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)CC[C@H]1[NH3+] ZINC000420296605 500436137 /nfs/dbraw/zinc/43/61/37/500436137.db2.gz XGABAMFFUSTWGX-MLGOLLRUSA-N 2 1 361.287 3.075 20 0 FGADMP Ic1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1 ZINC000420312403 500439075 /nfs/dbraw/zinc/43/90/75/500439075.db2.gz WXWXNHIHEHGRAH-BBRMVZONSA-N 2 1 370.278 3.428 20 0 FGADMP Cn1ccnc1C[N@@H+](C[C@@H]1CCCC(F)(F)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420310098 500439163 /nfs/dbraw/zinc/43/91/63/500439163.db2.gz MBRHNOFAEMYDCX-CVEARBPZSA-N 2 1 352.473 3.190 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431903431 500441585 /nfs/dbraw/zinc/44/15/85/500441585.db2.gz UBAKNSZTEVHXOJ-OAQYLSRUSA-N 2 1 372.557 3.027 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cc2)CC1 ZINC000431903431 500441586 /nfs/dbraw/zinc/44/15/86/500441586.db2.gz UBAKNSZTEVHXOJ-OAQYLSRUSA-N 2 1 372.557 3.027 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)cc2)CC1 ZINC000431903431 500441587 /nfs/dbraw/zinc/44/15/87/500441587.db2.gz UBAKNSZTEVHXOJ-OAQYLSRUSA-N 2 1 372.557 3.027 20 0 FGADMP CC(C)Oc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000420330052 500442497 /nfs/dbraw/zinc/44/24/97/500442497.db2.gz PIWKTOLMJWQDGI-MRXNPFEDSA-N 2 1 352.906 3.315 20 0 FGADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000420330052 500442500 /nfs/dbraw/zinc/44/25/00/500442500.db2.gz PIWKTOLMJWQDGI-MRXNPFEDSA-N 2 1 352.906 3.315 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@H](C)c1ccc(F)cc1 ZINC000420333205 500443555 /nfs/dbraw/zinc/44/35/55/500443555.db2.gz SMLMEKPFDHFJTB-QRQLOZEOSA-N 2 1 361.505 3.057 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000420344254 500445489 /nfs/dbraw/zinc/44/54/89/500445489.db2.gz SHCKALQZFXDRCU-MRXNPFEDSA-N 2 1 355.404 3.108 20 0 FGADMP CN(C(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)C(c1ccccc1)c1ccccc1 ZINC000420354395 500447294 /nfs/dbraw/zinc/44/72/94/500447294.db2.gz CUGATKASKOQMCY-FQEVSTJZSA-N 2 1 365.521 3.212 20 0 FGADMP COc1ccc([C@@H](CN)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000420370685 500449593 /nfs/dbraw/zinc/44/95/93/500449593.db2.gz YXHFZTKWTRJFIE-NRFANRHFSA-N 2 1 359.558 3.326 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000420370685 500449596 /nfs/dbraw/zinc/44/95/96/500449596.db2.gz YXHFZTKWTRJFIE-NRFANRHFSA-N 2 1 359.558 3.326 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CC[NH+]([C@@H](C)c3ccsc3)CC2)cc1 ZINC000420374497 500450292 /nfs/dbraw/zinc/45/02/92/500450292.db2.gz NUIUHRIWRDJPEM-LPHOPBHVSA-N 2 1 359.539 3.178 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000573446639 506196376 /nfs/dbraw/zinc/19/63/76/506196376.db2.gz LWPBBWBCWFCKOZ-STZQEDGTSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000573446639 506196380 /nfs/dbraw/zinc/19/63/80/506196380.db2.gz LWPBBWBCWFCKOZ-STZQEDGTSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000573446639 506196382 /nfs/dbraw/zinc/19/63/82/506196382.db2.gz LWPBBWBCWFCKOZ-STZQEDGTSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000424214185 500469973 /nfs/dbraw/zinc/46/99/73/500469973.db2.gz BTVDUSLYEZSZPC-XYEHWOGUSA-N 2 1 363.505 3.055 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000424244320 500474330 /nfs/dbraw/zinc/47/43/30/500474330.db2.gz QYNNTCVNGKELIH-GOSISDBHSA-N 2 1 355.457 3.444 20 0 FGADMP CC[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(Cl)cc1 ZINC000424287625 500481872 /nfs/dbraw/zinc/48/18/72/500481872.db2.gz JERLXMPLQXHAQR-MAUKXSAKSA-N 2 1 363.933 3.371 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302400 500483672 /nfs/dbraw/zinc/48/36/72/500483672.db2.gz ZJXNTOCTCXAUKB-DLBZAZTESA-N 2 1 369.509 3.416 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305498 500483678 /nfs/dbraw/zinc/48/36/78/500483678.db2.gz SLRJLQNFANSHIT-HOCLYGCPSA-N 2 1 361.427 3.074 20 0 FGADMP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231481 500484575 /nfs/dbraw/zinc/48/45/75/500484575.db2.gz WFYSKYQVDHSCOI-PCCBWWKXSA-N 2 1 357.542 3.183 20 0 FGADMP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000424316050 500486009 /nfs/dbraw/zinc/48/60/09/500486009.db2.gz CVTIZESOBATEDG-FNAHDJPLSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@@H+]1Cc1ccccc1 ZINC000576612822 506199008 /nfs/dbraw/zinc/19/90/08/506199008.db2.gz OZWMWIIFVDYIDS-MJGOQNOKSA-N 2 1 368.477 3.437 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc3c(c2)OCO3)CC[N@H+]1Cc1ccccc1 ZINC000576612822 506199012 /nfs/dbraw/zinc/19/90/12/506199012.db2.gz OZWMWIIFVDYIDS-MJGOQNOKSA-N 2 1 368.477 3.437 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420792142 500502414 /nfs/dbraw/zinc/50/24/14/500502414.db2.gz HLNIWOJFDXQKJW-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000420792142 500502418 /nfs/dbraw/zinc/50/24/18/500502418.db2.gz HLNIWOJFDXQKJW-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000420792142 500502419 /nfs/dbraw/zinc/50/24/19/500502419.db2.gz HLNIWOJFDXQKJW-GHTZIAJQSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424430911 500503837 /nfs/dbraw/zinc/50/38/37/500503837.db2.gz DVPAFHYBGNTXHB-DYESRHJHSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800756 500504396 /nfs/dbraw/zinc/50/43/96/500504396.db2.gz JRYAQFGDCQWWMM-VWEINGBSSA-N 2 1 372.557 3.069 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000428706502 500547178 /nfs/dbraw/zinc/54/71/78/500547178.db2.gz ARGPFUIRRURBIU-SFTDATJTSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000428706502 500547180 /nfs/dbraw/zinc/54/71/80/500547180.db2.gz ARGPFUIRRURBIU-SFTDATJTSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000428706502 500547182 /nfs/dbraw/zinc/54/71/82/500547182.db2.gz ARGPFUIRRURBIU-SFTDATJTSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000421003235 500552112 /nfs/dbraw/zinc/55/21/12/500552112.db2.gz GUVIPNMCPUPCCN-UHFFFAOYSA-N 2 1 365.949 3.211 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000432797042 500565257 /nfs/dbraw/zinc/56/52/57/500565257.db2.gz JUGMBACCJJKIKK-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000432797042 500565258 /nfs/dbraw/zinc/56/52/58/500565258.db2.gz JUGMBACCJJKIKK-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797042 500565259 /nfs/dbraw/zinc/56/52/59/500565259.db2.gz JUGMBACCJJKIKK-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797042 500565260 /nfs/dbraw/zinc/56/52/60/500565260.db2.gz JUGMBACCJJKIKK-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000437076628 500599344 /nfs/dbraw/zinc/59/93/44/500599344.db2.gz VPYIKTINHZBOTH-UEQSERJNSA-N 2 1 364.533 3.480 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000433046360 500612995 /nfs/dbraw/zinc/61/29/95/500612995.db2.gz PCAVMLFTONBNTO-YADHBBJMSA-N 2 1 365.521 3.285 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC(F)(F)F ZINC000442880880 500638663 /nfs/dbraw/zinc/63/86/63/500638663.db2.gz ZMGCOPZJDBESOC-CQSZACIVSA-N 2 1 359.436 3.262 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000442917186 500646777 /nfs/dbraw/zinc/64/67/77/500646777.db2.gz CPMIYWNCXUKUCK-HNNXBMFYSA-N 2 1 361.511 3.292 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000442917186 500646781 /nfs/dbraw/zinc/64/67/81/500646781.db2.gz CPMIYWNCXUKUCK-HNNXBMFYSA-N 2 1 361.511 3.292 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000442939082 500650354 /nfs/dbraw/zinc/65/03/54/500650354.db2.gz BZIBUDYBSUOLCP-MQSCRBSSSA-N 2 1 369.553 3.137 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442939082 500650356 /nfs/dbraw/zinc/65/03/56/500650356.db2.gz BZIBUDYBSUOLCP-MQSCRBSSSA-N 2 1 369.553 3.137 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442939082 500650357 /nfs/dbraw/zinc/65/03/57/500650357.db2.gz BZIBUDYBSUOLCP-MQSCRBSSSA-N 2 1 369.553 3.137 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@H](C)C2(C)CC2)CC1 ZINC000437515965 500653760 /nfs/dbraw/zinc/65/37/60/500653760.db2.gz GUPPMJCMYSXYRC-LJQANCHMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)C2(C)CC2)CC1 ZINC000437515965 500653762 /nfs/dbraw/zinc/65/37/62/500653762.db2.gz GUPPMJCMYSXYRC-LJQANCHMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@H](C)C2(C)CC2)CC1 ZINC000437515965 500653763 /nfs/dbraw/zinc/65/37/63/500653763.db2.gz GUPPMJCMYSXYRC-LJQANCHMSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054791 500669690 /nfs/dbraw/zinc/66/96/90/500669690.db2.gz AEOWYGDTVSUUBV-OALUTQOASA-N 2 1 365.521 3.342 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c2cccs2)cc1 ZINC000443055351 500670679 /nfs/dbraw/zinc/67/06/79/500670679.db2.gz BGLVOXFOMPGWBC-UWJYYQICSA-N 2 1 371.550 3.323 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058652 500670890 /nfs/dbraw/zinc/67/08/90/500670890.db2.gz KWOQZIGIDVLUKD-NQIIRXRSSA-N 2 1 373.541 3.200 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Br)c1OC ZINC000443060196 500671175 /nfs/dbraw/zinc/67/11/75/500671175.db2.gz OMNZZOSOXHBZTC-LBPRGKRZSA-N 2 1 357.292 3.027 20 0 FGADMP CC(C)N1CCC[C@@H]([N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947777 500694289 /nfs/dbraw/zinc/69/42/89/500694289.db2.gz IBZMJFXGTJLDCQ-QZTJIDSGSA-N 2 1 361.555 3.092 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968269 500722774 /nfs/dbraw/zinc/72/27/74/500722774.db2.gz GFZFTEJXUISSNQ-XMSQKQJNSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968269 500722776 /nfs/dbraw/zinc/72/27/76/500722776.db2.gz GFZFTEJXUISSNQ-XMSQKQJNSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968269 500722777 /nfs/dbraw/zinc/72/27/77/500722777.db2.gz GFZFTEJXUISSNQ-XMSQKQJNSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968269 500722778 /nfs/dbraw/zinc/72/27/78/500722778.db2.gz GFZFTEJXUISSNQ-XMSQKQJNSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968269 500722780 /nfs/dbraw/zinc/72/27/80/500722780.db2.gz GFZFTEJXUISSNQ-XMSQKQJNSA-N 2 1 356.485 3.498 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424936 500759776 /nfs/dbraw/zinc/75/97/76/500759776.db2.gz HTVSOKXUEHSBLC-APWZRJJASA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000448424936 500759779 /nfs/dbraw/zinc/75/97/79/500759779.db2.gz HTVSOKXUEHSBLC-APWZRJJASA-N 2 1 365.949 3.427 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000433939161 500768263 /nfs/dbraw/zinc/76/82/63/500768263.db2.gz GNBUVXUWJYWOHM-FQEVSTJZSA-N 2 1 362.562 3.100 20 0 FGADMP CN(CCC[N@@H+](C)Cc1cnc(-c2cccs2)s1)CC[NH+](C)C ZINC000570729348 506215549 /nfs/dbraw/zinc/21/55/49/506215549.db2.gz IBZNJMWDTLRTPU-UHFFFAOYSA-N 2 1 352.573 3.187 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000434057808 500788850 /nfs/dbraw/zinc/78/88/50/500788850.db2.gz GACGVDDYYICKDJ-FQEVSTJZSA-N 2 1 373.541 3.154 20 0 FGADMP C[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)[C@H](C)N1CCOCC1 ZINC000438839805 500825509 /nfs/dbraw/zinc/82/55/09/500825509.db2.gz VXAFBPDZNFRJCO-CDNGDFIJSA-N 2 1 359.558 3.128 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434348019 500829508 /nfs/dbraw/zinc/82/95/08/500829508.db2.gz CXVJSNWVLCKYJQ-PXNSSMCTSA-N 2 1 372.557 3.432 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445437 500844029 /nfs/dbraw/zinc/84/40/29/500844029.db2.gz OESCNDLBYMBEJB-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445437 500844034 /nfs/dbraw/zinc/84/40/34/500844034.db2.gz OESCNDLBYMBEJB-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445437 500844037 /nfs/dbraw/zinc/84/40/37/500844037.db2.gz OESCNDLBYMBEJB-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444624403 500868854 /nfs/dbraw/zinc/86/88/54/500868854.db2.gz WSIMEKYXYIORHW-UHFFFAOYSA-N 2 1 357.498 3.346 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC[NH+]1C ZINC000607689582 506226257 /nfs/dbraw/zinc/22/62/57/506226257.db2.gz DHSGWOPTECHZBE-OTWHNJEPSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)CC[N@@H+]1C ZINC000607689582 506226262 /nfs/dbraw/zinc/22/62/62/506226262.db2.gz DHSGWOPTECHZBE-OTWHNJEPSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+]2CCCC[C@@H]2C)CC[N@H+]1C ZINC000607689582 506226270 /nfs/dbraw/zinc/22/62/70/506226270.db2.gz DHSGWOPTECHZBE-OTWHNJEPSA-N 2 1 373.541 3.152 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(NC(N)=O)cc2)CC1 ZINC000449070664 500917158 /nfs/dbraw/zinc/91/71/58/500917158.db2.gz DODTWSAWJJURJU-KRWDZBQOSA-N 2 1 366.509 3.362 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc3cccnc3o2)[C@H](c2ccccc2)C1 ZINC000449075064 500918008 /nfs/dbraw/zinc/91/80/08/500918008.db2.gz MFZGQISWNKGQEI-NRFANRHFSA-N 2 1 364.493 3.296 20 0 FGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000449084827 500920782 /nfs/dbraw/zinc/92/07/82/500920782.db2.gz ZBCPPLCGVDBKON-IAGOWNOFSA-N 2 1 355.530 3.374 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)CC1 ZINC000449094388 500923219 /nfs/dbraw/zinc/92/32/19/500923219.db2.gz RNFAQOPGRAAYOO-YLJYHZDGSA-N 2 1 350.934 3.488 20 0 FGADMP CSCC1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449170694 500939609 /nfs/dbraw/zinc/93/96/09/500939609.db2.gz RNIRCNZMHBHEJN-KWJLTHHISA-N 2 1 362.583 3.381 20 0 FGADMP CSCC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000449170694 500939613 /nfs/dbraw/zinc/93/96/13/500939613.db2.gz RNIRCNZMHBHEJN-KWJLTHHISA-N 2 1 362.583 3.381 20 0 FGADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207223 500948083 /nfs/dbraw/zinc/94/80/83/500948083.db2.gz PSCDWHLPHPUIKL-MJGOQNOKSA-N 2 1 366.571 3.294 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449207223 500948085 /nfs/dbraw/zinc/94/80/85/500948085.db2.gz PSCDWHLPHPUIKL-MJGOQNOKSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@@H](CCN1CCN(C)CC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449247611 500956639 /nfs/dbraw/zinc/95/66/39/500956639.db2.gz GYCVDEPWNRHEPG-IBGZPJMESA-N 2 1 366.638 3.281 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]12 ZINC000435388654 500966009 /nfs/dbraw/zinc/96/60/09/500966009.db2.gz IHNUVQOLCZVWPS-DZFGPLHGSA-N 2 1 359.477 3.103 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@H]12 ZINC000435388523 500966045 /nfs/dbraw/zinc/96/60/45/500966045.db2.gz GFSUICBKYQVASS-XFKAJCMBSA-N 2 1 350.890 3.067 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@@H]3CCCO3)C[C@H]12 ZINC000435388523 500966047 /nfs/dbraw/zinc/96/60/47/500966047.db2.gz GFSUICBKYQVASS-XFKAJCMBSA-N 2 1 350.890 3.067 20 0 FGADMP CC[N@H+](Cc1cnc2c(C)cc(Br)cn12)[C@@H]1CCC[NH2+]CC1 ZINC000435396358 500967420 /nfs/dbraw/zinc/96/74/20/500967420.db2.gz YHPIMUZAPAWNJS-OAHLLOKOSA-N 2 1 365.319 3.369 20 0 FGADMP CC[N@@H+](Cc1cnc2c(C)cc(Br)cn12)[C@@H]1CCC[NH2+]CC1 ZINC000435396358 500967422 /nfs/dbraw/zinc/96/74/22/500967422.db2.gz YHPIMUZAPAWNJS-OAHLLOKOSA-N 2 1 365.319 3.369 20 0 FGADMP CCn1ccnc1C[N@@H+](C[C@H](C)CC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435425252 500972554 /nfs/dbraw/zinc/97/25/54/500972554.db2.gz YIMFFLUKKAQTOO-QUCCMNQESA-N 2 1 374.573 3.300 20 0 FGADMP Cn1nnc2cc(C[N@@H+](Cc3ccsc3)[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435425570 500972726 /nfs/dbraw/zinc/97/27/26/500972726.db2.gz DHWSKUQAPJXMEY-LJQANCHMSA-N 2 1 367.522 3.174 20 0 FGADMP Cn1ccnc1C[N@H+](Cc1cccc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431454 500974595 /nfs/dbraw/zinc/97/45/95/500974595.db2.gz DHGGWCCULPXWAL-LJQANCHMSA-N 2 1 361.493 3.113 20 0 FGADMP Cn1ccnc1C[N@@H+](Cc1cccc2cccnc21)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431454 500974598 /nfs/dbraw/zinc/97/45/98/500974598.db2.gz DHGGWCCULPXWAL-LJQANCHMSA-N 2 1 361.493 3.113 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449451078 501006192 /nfs/dbraw/zinc/00/61/92/501006192.db2.gz HRBSSYOGZDJQGN-NXHRZFHOSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449451078 501006194 /nfs/dbraw/zinc/00/61/94/501006194.db2.gz HRBSSYOGZDJQGN-NXHRZFHOSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449451078 501006196 /nfs/dbraw/zinc/00/61/96/501006196.db2.gz HRBSSYOGZDJQGN-NXHRZFHOSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@@H]3O)sc2C1 ZINC000449451078 501006199 /nfs/dbraw/zinc/00/61/99/501006199.db2.gz HRBSSYOGZDJQGN-NXHRZFHOSA-N 2 1 363.571 3.425 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501677 501019443 /nfs/dbraw/zinc/01/94/43/501019443.db2.gz OCSWDLXKSBFUCY-ACIOBRDBSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501677 501019444 /nfs/dbraw/zinc/01/94/44/501019444.db2.gz OCSWDLXKSBFUCY-ACIOBRDBSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501677 501019447 /nfs/dbraw/zinc/01/94/47/501019447.db2.gz OCSWDLXKSBFUCY-ACIOBRDBSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000449501677 501019450 /nfs/dbraw/zinc/01/94/50/501019450.db2.gz OCSWDLXKSBFUCY-ACIOBRDBSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511033 501021890 /nfs/dbraw/zinc/02/18/90/501021890.db2.gz YECRFBAOIRKEDC-IRLDBZIGSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511033 501021891 /nfs/dbraw/zinc/02/18/91/501021891.db2.gz YECRFBAOIRKEDC-IRLDBZIGSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511033 501021893 /nfs/dbraw/zinc/02/18/93/501021893.db2.gz YECRFBAOIRKEDC-IRLDBZIGSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511033 501021894 /nfs/dbraw/zinc/02/18/94/501021894.db2.gz YECRFBAOIRKEDC-IRLDBZIGSA-N 2 1 371.569 3.446 20 0 FGADMP COc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OCc2cccnc2)c1 ZINC000449560798 501033851 /nfs/dbraw/zinc/03/38/51/501033851.db2.gz PQCCOOONOIJGII-IHWFROFDSA-N 2 1 367.493 3.384 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000582459175 506233267 /nfs/dbraw/zinc/23/32/67/506233267.db2.gz CCXOVOSCEUGFEE-UYAOXDASSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000582459175 506233274 /nfs/dbraw/zinc/23/32/74/506233274.db2.gz CCXOVOSCEUGFEE-UYAOXDASSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000582459175 506233282 /nfs/dbraw/zinc/23/32/82/506233282.db2.gz CCXOVOSCEUGFEE-UYAOXDASSA-N 2 1 374.573 3.315 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)c3cc(C[NH+]4CCCC4)on3)CC2)CC1 ZINC000582460247 506233510 /nfs/dbraw/zinc/23/35/10/506233510.db2.gz JGSYAPPSKNKSKD-UHFFFAOYSA-N 2 1 374.529 3.043 20 0 FGADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000436282578 501101583 /nfs/dbraw/zinc/10/15/83/501101583.db2.gz HKYJQGNAFBRNOE-ICSRJNTNSA-N 2 1 357.542 3.267 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1CC1 ZINC000441276333 501113137 /nfs/dbraw/zinc/11/31/37/501113137.db2.gz HIOVKFCIONKMDJ-QZTJIDSGSA-N 2 1 357.542 3.265 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](COC)C3CCCC3)cc2)CC1 ZINC000446746072 501159980 /nfs/dbraw/zinc/15/99/80/501159980.db2.gz VYHUMNXVPYEBRU-JOCHJYFZSA-N 2 1 359.558 3.119 20 0 FGADMP C[N@@H+](CCc1cscn1)[C@H]1CCCN(CCc2cscn2)CC1 ZINC000450617404 501167528 /nfs/dbraw/zinc/16/75/28/501167528.db2.gz SURMPIHDDFEJJV-KRWDZBQOSA-N 2 1 350.557 3.171 20 0 FGADMP C[N@H+](CCc1cscn1)[C@H]1CCC[NH+](CCc2cscn2)CC1 ZINC000450617404 501167531 /nfs/dbraw/zinc/16/75/31/501167531.db2.gz SURMPIHDDFEJJV-KRWDZBQOSA-N 2 1 350.557 3.171 20 0 FGADMP C[N@@H+](CCc1cscn1)[C@H]1CCC[NH+](CCc2cscn2)CC1 ZINC000450617404 501167534 /nfs/dbraw/zinc/16/75/34/501167534.db2.gz SURMPIHDDFEJJV-KRWDZBQOSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cscn1)[C@H]1CCC[N@H+](CCc2cscn2)CC1 ZINC000450617404 501167539 /nfs/dbraw/zinc/16/75/39/501167539.db2.gz SURMPIHDDFEJJV-KRWDZBQOSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cscn1)[C@H]1CCC[N@@H+](CCc2cscn2)CC1 ZINC000450617404 501167543 /nfs/dbraw/zinc/16/75/43/501167543.db2.gz SURMPIHDDFEJJV-KRWDZBQOSA-N 2 1 350.557 3.171 20 0 FGADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000446843089 501172542 /nfs/dbraw/zinc/17/25/42/501172542.db2.gz JPDCCSKPUHIDOB-NRFANRHFSA-N 2 1 360.542 3.462 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450851487 501218535 /nfs/dbraw/zinc/21/85/35/501218535.db2.gz BTFPBRGVXQVHHF-UHFFFAOYSA-N 2 1 363.527 3.151 20 0 FGADMP CCCn1ccnc1CCCN(C)Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450851487 501218540 /nfs/dbraw/zinc/21/85/40/501218540.db2.gz BTFPBRGVXQVHHF-UHFFFAOYSA-N 2 1 363.527 3.151 20 0 FGADMP CCCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(CC)CC4)C3)c2c1 ZINC000450315071 501231912 /nfs/dbraw/zinc/23/19/12/501231912.db2.gz DAGXZDZKDFZQNX-LJQANCHMSA-N 2 1 352.526 3.404 20 0 FGADMP CC[NH+](Cc1cc(C[N@H+](CC)[C@@H]2CCOC2)ccc1F)[C@@H]1CCOC1 ZINC000451047667 501241721 /nfs/dbraw/zinc/24/17/21/501241721.db2.gz CZIXMKMQOZJZJU-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@H+](CC)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451047667 501241722 /nfs/dbraw/zinc/24/17/22/501241722.db2.gz CZIXMKMQOZJZJU-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](Cc1ccc(F)c(C[N@@H+](CC)[C@@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000451047667 501241723 /nfs/dbraw/zinc/24/17/23/501241723.db2.gz CZIXMKMQOZJZJU-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(-n3cc[nH+]c3C)c(F)c1)CO2 ZINC000453078838 501264638 /nfs/dbraw/zinc/26/46/38/501264638.db2.gz XPWVYVNHYYLBOH-QGZVFWFLSA-N 2 1 367.424 3.422 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000451323648 501264679 /nfs/dbraw/zinc/26/46/79/501264679.db2.gz VXADTMBIYQJPLW-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000451323648 501264681 /nfs/dbraw/zinc/26/46/81/501264681.db2.gz VXADTMBIYQJPLW-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000451323648 501264685 /nfs/dbraw/zinc/26/46/85/501264685.db2.gz VXADTMBIYQJPLW-IFMALSPDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453098664 501268413 /nfs/dbraw/zinc/26/84/13/501268413.db2.gz VOAPIFZKWREIID-NJDAHSKKSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)[C@@H](CNC(=O)NCCCC[N@@H+](C)C1CC1)[NH+]1CCCCCC1 ZINC000457629418 501271976 /nfs/dbraw/zinc/27/19/76/501271976.db2.gz UZHRWJNRXPNQRV-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000457655177 501279098 /nfs/dbraw/zinc/27/90/98/501279098.db2.gz CGIUKXWEDWEOTL-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195347 501288693 /nfs/dbraw/zinc/28/86/93/501288693.db2.gz JNTMFTKKPMCOQG-QFUCXCTJSA-N 2 1 366.505 3.499 20 0 FGADMP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@H+]1CCCC[C@H]1C ZINC000457705955 501291649 /nfs/dbraw/zinc/29/16/49/501291649.db2.gz LNQGSCNFKDQEON-SJORKVTESA-N 2 1 366.575 3.084 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529105 501313574 /nfs/dbraw/zinc/31/35/74/501313574.db2.gz GJSGVRFPUTXWOE-CEMLEFRQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529105 501313577 /nfs/dbraw/zinc/31/35/77/501313577.db2.gz GJSGVRFPUTXWOE-CEMLEFRQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529105 501313580 /nfs/dbraw/zinc/31/35/80/501313580.db2.gz GJSGVRFPUTXWOE-CEMLEFRQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529105 501313581 /nfs/dbraw/zinc/31/35/81/501313581.db2.gz GJSGVRFPUTXWOE-CEMLEFRQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529105 501313584 /nfs/dbraw/zinc/31/35/84/501313584.db2.gz GJSGVRFPUTXWOE-CEMLEFRQSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CCCSCC(C)C)C2)CC1 ZINC000451533861 501315327 /nfs/dbraw/zinc/31/53/27/501315327.db2.gz WZEDQFZQIMZRAE-HXUWFJFHSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCSCC(C)C)C2)CC1 ZINC000451533861 501315330 /nfs/dbraw/zinc/31/53/30/501315330.db2.gz WZEDQFZQIMZRAE-HXUWFJFHSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCSCC(C)C)C2)CC1 ZINC000451533861 501315333 /nfs/dbraw/zinc/31/53/33/501315333.db2.gz WZEDQFZQIMZRAE-HXUWFJFHSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCSCC(C)C)C2)CC1 ZINC000451533861 501315337 /nfs/dbraw/zinc/31/53/37/501315337.db2.gz WZEDQFZQIMZRAE-HXUWFJFHSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCSCC(C)C)C2)CC1 ZINC000451533861 501315340 /nfs/dbraw/zinc/31/53/40/501315340.db2.gz WZEDQFZQIMZRAE-HXUWFJFHSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](CCCSCC(C)C)C2)CC1 ZINC000451533858 501315416 /nfs/dbraw/zinc/31/54/16/501315416.db2.gz WZEDQFZQIMZRAE-FQEVSTJZSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCSCC(C)C)C2)CC1 ZINC000451533858 501315419 /nfs/dbraw/zinc/31/54/19/501315419.db2.gz WZEDQFZQIMZRAE-FQEVSTJZSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCSCC(C)C)C2)CC1 ZINC000451533858 501315421 /nfs/dbraw/zinc/31/54/21/501315421.db2.gz WZEDQFZQIMZRAE-FQEVSTJZSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCSCC(C)C)C2)CC1 ZINC000451533858 501315423 /nfs/dbraw/zinc/31/54/23/501315423.db2.gz WZEDQFZQIMZRAE-FQEVSTJZSA-N 2 1 369.619 3.032 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCSCC(C)C)C2)CC1 ZINC000451533858 501315426 /nfs/dbraw/zinc/31/54/26/501315426.db2.gz WZEDQFZQIMZRAE-FQEVSTJZSA-N 2 1 369.619 3.032 20 0 FGADMP CN1CCO[C@H]([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420156 501328012 /nfs/dbraw/zinc/32/80/12/501328012.db2.gz ZJSCITQISRNFCX-PMACEKPBSA-N 2 1 365.949 3.176 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607632 501346037 /nfs/dbraw/zinc/34/60/37/501346037.db2.gz JCCJNGUSAIWLJK-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[N@H+](C)Cc1ccccc1 ZINC000458283930 501411846 /nfs/dbraw/zinc/41/18/46/501411846.db2.gz JERUNYRRVCWNKP-INIZCTEOSA-N 2 1 373.472 3.225 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)[N@@H+](C)Cc1ccccc1 ZINC000458283930 501411849 /nfs/dbraw/zinc/41/18/49/501411849.db2.gz JERUNYRRVCWNKP-INIZCTEOSA-N 2 1 373.472 3.225 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000458416580 501439925 /nfs/dbraw/zinc/43/99/25/501439925.db2.gz QIXQCSUXIJMOEQ-RXVVDRJESA-N 2 1 372.557 3.336 20 0 FGADMP C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000452177161 501453754 /nfs/dbraw/zinc/45/37/54/501453754.db2.gz WSAMOBNUFWSCHP-GOSISDBHSA-N 2 1 355.526 3.229 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000458505094 501461232 /nfs/dbraw/zinc/46/12/32/501461232.db2.gz NGJGPTOUIHSMFP-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000458505094 501461233 /nfs/dbraw/zinc/46/12/33/501461233.db2.gz NGJGPTOUIHSMFP-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000458505094 501461234 /nfs/dbraw/zinc/46/12/34/501461234.db2.gz NGJGPTOUIHSMFP-AZUAARDMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512542 501463161 /nfs/dbraw/zinc/46/31/61/501463161.db2.gz YIHPTPBSZPJJDD-GIVPXCGWSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000458512542 501463163 /nfs/dbraw/zinc/46/31/63/501463163.db2.gz YIHPTPBSZPJJDD-GIVPXCGWSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519267 501464694 /nfs/dbraw/zinc/46/46/94/501464694.db2.gz WLBGTSFPDZBWPX-AZUAARDMSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000454198838 501480974 /nfs/dbraw/zinc/48/09/74/501480974.db2.gz PFXPZAXMNWLAPT-UHFFFAOYSA-N 2 1 372.557 3.213 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)[NH+](C)C ZINC000458783436 501530476 /nfs/dbraw/zinc/53/04/76/501530476.db2.gz VDQUKLKJGNTXQL-RCZSKKKRSA-N 2 1 372.557 3.114 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+](C)C ZINC000458785442 501531067 /nfs/dbraw/zinc/53/10/67/501531067.db2.gz WMROUIWHIMNIFE-HBFSDRIKSA-N 2 1 360.546 3.017 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000456680684 501575301 /nfs/dbraw/zinc/57/53/01/501575301.db2.gz FWCOKZTUKCYXGF-GOSISDBHSA-N 2 1 373.516 3.171 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000454588051 501584985 /nfs/dbraw/zinc/58/49/85/501584985.db2.gz PUGKJWLBCIUIGZ-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454588051 501584987 /nfs/dbraw/zinc/58/49/87/501584987.db2.gz PUGKJWLBCIUIGZ-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000454588051 501584989 /nfs/dbraw/zinc/58/49/89/501584989.db2.gz PUGKJWLBCIUIGZ-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000459061602 501585726 /nfs/dbraw/zinc/58/57/26/501585726.db2.gz PXNLYQKLLZYSAM-INIZCTEOSA-N 2 1 357.502 3.174 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000459268544 501622168 /nfs/dbraw/zinc/62/21/68/501622168.db2.gz SENRKRZTBPPHQJ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459268544 501622170 /nfs/dbraw/zinc/62/21/70/501622170.db2.gz SENRKRZTBPPHQJ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459268544 501622172 /nfs/dbraw/zinc/62/21/72/501622172.db2.gz SENRKRZTBPPHQJ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000456978743 501629243 /nfs/dbraw/zinc/62/92/43/501629243.db2.gz ASPRCWMRTSMYTE-JOCHJYFZSA-N 2 1 363.505 3.072 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454828293 501638771 /nfs/dbraw/zinc/63/87/71/501638771.db2.gz DIGBXGFNMXRVNM-QFIPXVFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000454828293 501638773 /nfs/dbraw/zinc/63/87/73/501638773.db2.gz DIGBXGFNMXRVNM-QFIPXVFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000454828293 501638775 /nfs/dbraw/zinc/63/87/75/501638775.db2.gz DIGBXGFNMXRVNM-QFIPXVFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](C)C[C@@](C)(O)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459440855 501654524 /nfs/dbraw/zinc/65/45/24/501654524.db2.gz XTHDWRGYYQYIBM-LWAZDOKKSA-N 2 1 354.494 3.181 20 0 FGADMP CC1(c2ccccc2)CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000459441424 501654663 /nfs/dbraw/zinc/65/46/63/501654663.db2.gz VVMXRCMICIGJGJ-XPPIMPSXSA-N 2 1 350.506 3.333 20 0 FGADMP CC1(c2ccccc2)CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000459441424 501654664 /nfs/dbraw/zinc/65/46/64/501654664.db2.gz VVMXRCMICIGJGJ-XPPIMPSXSA-N 2 1 350.506 3.333 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457443 501702009 /nfs/dbraw/zinc/70/20/09/501702009.db2.gz NROKTAIHGSYTQO-IRLDBZIGSA-N 2 1 372.557 3.197 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)C1C[NH+](C2CCCCC2)C1 ZINC000457511673 501713837 /nfs/dbraw/zinc/71/38/37/501713837.db2.gz MHYXBJSLQSHVRX-UHFFFAOYSA-N 2 1 373.566 3.438 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1[nH]c2ccc(C)cc2c1C ZINC000481286511 501733913 /nfs/dbraw/zinc/73/39/13/501733913.db2.gz CDZUECOVKGIJBS-GOSISDBHSA-N 2 1 370.541 3.273 20 0 FGADMP CO[C@H]1C[NH+](Cc2ccc(C[N@H+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758223 /nfs/dbraw/zinc/75/82/23/501758223.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@H+](Cc2ccc(C[NH+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758229 /nfs/dbraw/zinc/75/82/29/501758229.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CC[C@@H](C)[C@H](OC)C3)cc2)CC[C@@H]1C ZINC000467286945 501758233 /nfs/dbraw/zinc/75/82/33/501758233.db2.gz BSMQKIQQPONZMW-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000460217134 501762219 /nfs/dbraw/zinc/76/22/19/501762219.db2.gz PWLNSDPVEFHNBR-GOSISDBHSA-N 2 1 358.530 3.067 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1 ZINC000467414183 501787704 /nfs/dbraw/zinc/78/77/04/501787704.db2.gz RPFKZWDMVOLRTR-UHFFFAOYSA-N 2 1 351.922 3.139 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470741378 501789039 /nfs/dbraw/zinc/78/90/39/501789039.db2.gz WLHKZHAWMFKPSW-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000460347220 501798979 /nfs/dbraw/zinc/79/89/79/501798979.db2.gz BIEYECZMZZMVFR-WOWVQWGWSA-N 2 1 371.569 3.428 20 0 FGADMP CC1CCC(NC(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000460347220 501798986 /nfs/dbraw/zinc/79/89/86/501798986.db2.gz BIEYECZMZZMVFR-WOWVQWGWSA-N 2 1 371.569 3.428 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359438 501803307 /nfs/dbraw/zinc/80/33/07/501803307.db2.gz FNSWPKPBHNMKJP-GBESFXJTSA-N 2 1 374.573 3.171 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H](c1nccn1C)c1ccccc1 ZINC000611728282 506274427 /nfs/dbraw/zinc/27/44/27/506274427.db2.gz KJABGMVLTASGBB-PKOBYXMFSA-N 2 1 369.513 3.073 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000477856316 501810918 /nfs/dbraw/zinc/81/09/18/501810918.db2.gz QBZUUCMSNFPNRN-GRDNDAEWSA-N 2 1 373.522 3.415 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485445439 501823158 /nfs/dbraw/zinc/82/31/58/501823158.db2.gz QEAMQFSOUUSBRM-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485445436 501823667 /nfs/dbraw/zinc/82/36/67/501823667.db2.gz QEAMQFSOUUSBRM-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472738 501831266 /nfs/dbraw/zinc/83/12/66/501831266.db2.gz XDVXTOFFWKBHFN-IBGZPJMESA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC2(CCC2)C1 ZINC000470865177 501834723 /nfs/dbraw/zinc/83/47/23/501834723.db2.gz FPCXZNKZZIKLPA-QUCCMNQESA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865177 501834726 /nfs/dbraw/zinc/83/47/26/501834726.db2.gz FPCXZNKZZIKLPA-QUCCMNQESA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC2(CCC2)C1 ZINC000470865177 501834729 /nfs/dbraw/zinc/83/47/29/501834729.db2.gz FPCXZNKZZIKLPA-QUCCMNQESA-N 2 1 355.526 3.032 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2)cn1 ZINC000471023343 501895095 /nfs/dbraw/zinc/89/50/95/501895095.db2.gz SOGXHIDKOAQVIV-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cn(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)cn1 ZINC000471023343 501895098 /nfs/dbraw/zinc/89/50/98/501895098.db2.gz SOGXHIDKOAQVIV-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)cn1 ZINC000471023343 501895101 /nfs/dbraw/zinc/89/51/01/501895101.db2.gz SOGXHIDKOAQVIV-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP C[C@H](CCNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000468007438 501927700 /nfs/dbraw/zinc/92/77/00/501927700.db2.gz XMKFVGLAAPZZTC-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP CC(C)C[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000468023131 501932418 /nfs/dbraw/zinc/93/24/18/501932418.db2.gz WCLBESKKHJAIEQ-ICSRJNTNSA-N 2 1 360.546 3.099 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CCC[N@@H+](C)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000468023133 501932562 /nfs/dbraw/zinc/93/25/62/501932562.db2.gz WCLBESKKHJAIEQ-UYAOXDASSA-N 2 1 360.546 3.099 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000485787945 501936750 /nfs/dbraw/zinc/93/67/50/501936750.db2.gz QQVVJCACVGHVAW-NVXWUHKLSA-N 2 1 367.497 3.113 20 0 FGADMP Cc1cc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000460887438 501950843 /nfs/dbraw/zinc/95/08/43/501950843.db2.gz QVENJDFSYVTHOU-SFHVURJKSA-N 2 1 373.545 3.054 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000471235403 501962775 /nfs/dbraw/zinc/96/27/75/501962775.db2.gz OZPPEWMQGULTPZ-GHTZIAJQSA-N 2 1 373.585 3.305 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824628 501963840 /nfs/dbraw/zinc/96/38/40/501963840.db2.gz HTCQOGOIGZHJPC-MBOZVWFJSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824628 501963844 /nfs/dbraw/zinc/96/38/44/501963844.db2.gz HTCQOGOIGZHJPC-MBOZVWFJSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474824628 501963848 /nfs/dbraw/zinc/96/38/48/501963848.db2.gz HTCQOGOIGZHJPC-MBOZVWFJSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474824628 501963851 /nfs/dbraw/zinc/96/38/51/501963851.db2.gz HTCQOGOIGZHJPC-MBOZVWFJSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115047 501978317 /nfs/dbraw/zinc/97/83/17/501978317.db2.gz OZLDLTXMDSRWNF-LAUBAEHRSA-N 2 1 361.493 3.364 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCCc1cccs1 ZINC000482129812 501983006 /nfs/dbraw/zinc/98/30/06/501983006.db2.gz UBEPNDICLDTMPJ-JENIJYKNSA-N 2 1 365.587 3.286 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(C)ccc1OC ZINC000482146947 501990640 /nfs/dbraw/zinc/99/06/40/501990640.db2.gz QJYPHNDMFWYOME-QZTJIDSGSA-N 2 1 361.530 3.432 20 0 FGADMP CCN(C(=O)NCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475010108 502021102 /nfs/dbraw/zinc/02/11/02/502021102.db2.gz NAVFQIYKPYVOMT-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CN(C(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018440 502022825 /nfs/dbraw/zinc/02/28/25/502022825.db2.gz UZSMOBIMQHMYMZ-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000475021488 502024235 /nfs/dbraw/zinc/02/42/35/502024235.db2.gz DBICNZDEUCNKTM-OALUTQOASA-N 2 1 357.523 3.304 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccsc1)c1ccccc1 ZINC000475021488 502024240 /nfs/dbraw/zinc/02/42/40/502024240.db2.gz DBICNZDEUCNKTM-OALUTQOASA-N 2 1 357.523 3.304 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042683 502032507 /nfs/dbraw/zinc/03/25/07/502032507.db2.gz ZFEILFDJMKDZRL-CTNGQTDRSA-N 2 1 369.484 3.034 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CC3CC[NH+](C)CC3)c2C)cc1 ZINC000468404903 502048635 /nfs/dbraw/zinc/04/86/35/502048635.db2.gz GHVGIPVKSPTBCF-UHFFFAOYSA-N 2 1 370.541 3.330 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093618 502055232 /nfs/dbraw/zinc/05/52/32/502055232.db2.gz HAKRZJBRYPTNDV-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475093618 502055235 /nfs/dbraw/zinc/05/52/35/502055235.db2.gz HAKRZJBRYPTNDV-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475093618 502055236 /nfs/dbraw/zinc/05/52/36/502055236.db2.gz HAKRZJBRYPTNDV-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000461267408 502058024 /nfs/dbraw/zinc/05/80/24/502058024.db2.gz SFBZTMMROXEFED-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113244 502063331 /nfs/dbraw/zinc/06/33/31/502063331.db2.gz GBCLQSHWRBYMAO-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475113244 502063334 /nfs/dbraw/zinc/06/33/34/502063334.db2.gz GBCLQSHWRBYMAO-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475113244 502063341 /nfs/dbraw/zinc/06/33/41/502063341.db2.gz GBCLQSHWRBYMAO-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128158 502070023 /nfs/dbraw/zinc/07/00/23/502070023.db2.gz FWYCIUULSUMLGB-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000464810742 502101248 /nfs/dbraw/zinc/10/12/48/502101248.db2.gz KYZOGDODFZXKNY-QUCCMNQESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000464810742 502101252 /nfs/dbraw/zinc/10/12/52/502101252.db2.gz KYZOGDODFZXKNY-QUCCMNQESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)CC[C@@H]2C)CC1 ZINC000464810742 502101255 /nfs/dbraw/zinc/10/12/55/502101255.db2.gz KYZOGDODFZXKNY-QUCCMNQESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc([C@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837353 502113941 /nfs/dbraw/zinc/11/39/41/502113941.db2.gz MVYNOKCCIMLMSL-DNVCBOLYSA-N 2 1 359.514 3.104 20 0 FGADMP Cc1ccc([C@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837353 502113945 /nfs/dbraw/zinc/11/39/45/502113945.db2.gz MVYNOKCCIMLMSL-DNVCBOLYSA-N 2 1 359.514 3.104 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448079 502118211 /nfs/dbraw/zinc/11/82/11/502118211.db2.gz OTISRGJYVFNZJX-BHDDXSALSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448079 502118213 /nfs/dbraw/zinc/11/82/13/502118213.db2.gz OTISRGJYVFNZJX-BHDDXSALSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000461448079 502118218 /nfs/dbraw/zinc/11/82/18/502118218.db2.gz OTISRGJYVFNZJX-BHDDXSALSA-N 2 1 369.553 3.231 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccccc1 ZINC000471832152 502147961 /nfs/dbraw/zinc/14/79/61/502147961.db2.gz JUAJOGVVWAXZJD-CTNGQTDRSA-N 2 1 351.494 3.297 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccccc1 ZINC000471832152 502147966 /nfs/dbraw/zinc/14/79/66/502147966.db2.gz JUAJOGVVWAXZJD-CTNGQTDRSA-N 2 1 351.494 3.297 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833948 502149067 /nfs/dbraw/zinc/14/90/67/502149067.db2.gz DCPIPHHAXPWTIM-FGZHOGPDSA-N 2 1 365.521 3.218 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000482738798 502166119 /nfs/dbraw/zinc/16/61/19/502166119.db2.gz GUCRGDQTJCIWLG-MOPGFXCFSA-N 2 1 352.567 3.205 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721039 502179113 /nfs/dbraw/zinc/17/91/13/502179113.db2.gz FYNLHRQIMCMOOM-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721039 502179120 /nfs/dbraw/zinc/17/91/20/502179120.db2.gz FYNLHRQIMCMOOM-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000461721039 502179124 /nfs/dbraw/zinc/17/91/24/502179124.db2.gz FYNLHRQIMCMOOM-HBFSDRIKSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000479254950 502206626 /nfs/dbraw/zinc/20/66/26/502206626.db2.gz LCNRTZDYACHSIU-UGKGYDQZSA-N 2 1 365.521 3.412 20 0 FGADMP C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000479254950 502206631 /nfs/dbraw/zinc/20/66/31/502206631.db2.gz LCNRTZDYACHSIU-UGKGYDQZSA-N 2 1 365.521 3.412 20 0 FGADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000482888695 502207841 /nfs/dbraw/zinc/20/78/41/502207841.db2.gz KNBGBSOCPDQFLC-HXUWFJFHSA-N 2 1 361.530 3.069 20 0 FGADMP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(OC)cc1 ZINC000482888694 502207983 /nfs/dbraw/zinc/20/79/83/502207983.db2.gz KNBGBSOCPDQFLC-FQEVSTJZSA-N 2 1 361.530 3.069 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CC[C@@H](C)C2)cc1 ZINC000465196959 502211871 /nfs/dbraw/zinc/21/18/71/502211871.db2.gz QEMPJXXVJBGQOZ-YLJYHZDGSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000465196959 502211878 /nfs/dbraw/zinc/21/18/78/502211878.db2.gz QEMPJXXVJBGQOZ-YLJYHZDGSA-N 2 1 359.514 3.220 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000465196959 502211883 /nfs/dbraw/zinc/21/18/83/502211883.db2.gz QEMPJXXVJBGQOZ-YLJYHZDGSA-N 2 1 359.514 3.220 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486643308 502218138 /nfs/dbraw/zinc/21/81/38/502218138.db2.gz VXKVKJCCZUIXCQ-XLIONFOSSA-N 2 1 351.494 3.141 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000482943908 502223353 /nfs/dbraw/zinc/22/33/53/502223353.db2.gz FXEDMXGCOFUTGC-AZUAARDMSA-N 2 1 366.509 3.219 20 0 FGADMP COc1ccc2oc(C[NH+]3CCN(c4cc[nH+]cc4OC)CC3)cc2c1 ZINC000475615163 502227813 /nfs/dbraw/zinc/22/78/13/502227813.db2.gz JJYYOMSXERXFQQ-UHFFFAOYSA-N 2 1 353.422 3.167 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4nn(C)cc43)cc2)C[C@H](C)O1 ZINC000479360595 502235530 /nfs/dbraw/zinc/23/55/30/502235530.db2.gz METACXMOSHKCMT-FVJLSDCUSA-N 2 1 368.525 3.197 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000479389367 502243949 /nfs/dbraw/zinc/24/39/49/502243949.db2.gz PDGNEVABEZTCAP-ROUUACIJSA-N 2 1 366.575 3.305 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472170583 502256762 /nfs/dbraw/zinc/25/67/62/502256762.db2.gz IALRCNLXYILXTI-NRFANRHFSA-N 2 1 360.542 3.151 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465458096 502269667 /nfs/dbraw/zinc/26/96/67/502269667.db2.gz YSHDOCIAUDAURH-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122028 502280388 /nfs/dbraw/zinc/28/03/88/502280388.db2.gz PMBALMHEQLTIBO-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122028 502280392 /nfs/dbraw/zinc/28/03/92/502280392.db2.gz PMBALMHEQLTIBO-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000483122028 502280398 /nfs/dbraw/zinc/28/03/98/502280398.db2.gz PMBALMHEQLTIBO-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000472260564 502288341 /nfs/dbraw/zinc/28/83/41/502288341.db2.gz IHYKKWPVESTOSX-SFHVURJKSA-N 2 1 361.530 3.181 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000472260564 502288344 /nfs/dbraw/zinc/28/83/44/502288344.db2.gz IHYKKWPVESTOSX-SFHVURJKSA-N 2 1 361.530 3.181 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910456 502300769 /nfs/dbraw/zinc/30/07/69/502300769.db2.gz HYKRGKUYFRIWFK-WIYYLYMNSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCC1CCCC1 ZINC000465552195 502304503 /nfs/dbraw/zinc/30/45/03/502304503.db2.gz ZLOWBHVJLYNOCQ-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)c1cc(N2CCC[N@H+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000462100459 502306070 /nfs/dbraw/zinc/30/60/70/502306070.db2.gz VKYVELBGUYNSPS-UHFFFAOYSA-N 2 1 353.514 3.378 20 0 FGADMP CC(C)c1cc(N2CCC[N@@H+](Cc3ccccc3)CC2)nc(N(C)C)[nH+]1 ZINC000462100459 502306074 /nfs/dbraw/zinc/30/60/74/502306074.db2.gz VKYVELBGUYNSPS-UHFFFAOYSA-N 2 1 353.514 3.378 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300822 502306088 /nfs/dbraw/zinc/30/60/88/502306088.db2.gz YBYWNXAFAZBHCP-WMZOPIPTSA-N 2 1 358.486 3.230 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3ccccc3)no2)C1 ZINC000472300822 502306092 /nfs/dbraw/zinc/30/60/92/502306092.db2.gz YBYWNXAFAZBHCP-WMZOPIPTSA-N 2 1 358.486 3.230 20 0 FGADMP CC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1ccccc1C(F)(F)F ZINC000479679760 502341799 /nfs/dbraw/zinc/34/17/99/502341799.db2.gz ZOKWGQKSJALSTD-UHFFFAOYSA-N 2 1 357.420 3.356 20 0 FGADMP Cc1c([C@H](C)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cnn1C(C)C ZINC000469254768 502351581 /nfs/dbraw/zinc/35/15/81/502351581.db2.gz XDVPHPDLJAUJGJ-LAUBAEHRSA-N 2 1 356.514 3.060 20 0 FGADMP Cc1c([C@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cnn1C(C)C ZINC000469254768 502351584 /nfs/dbraw/zinc/35/15/84/502351584.db2.gz XDVPHPDLJAUJGJ-LAUBAEHRSA-N 2 1 356.514 3.060 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000465772971 502379691 /nfs/dbraw/zinc/37/96/91/502379691.db2.gz QYUMKFDPIOPYIV-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809762 502391919 /nfs/dbraw/zinc/39/19/19/502391919.db2.gz JTSMRUPBZRBSNS-QZTJIDSGSA-N 2 1 364.534 3.036 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C[C@H]1n1ccnc1 ZINC000469383455 502394330 /nfs/dbraw/zinc/39/43/30/502394330.db2.gz IUMMAIYLGNZEQB-OLMNPRSZSA-N 2 1 360.889 3.249 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@H]1C ZINC000483494476 502411013 /nfs/dbraw/zinc/41/10/13/502411013.db2.gz ADIPZMYLHQZARA-HLAWJBBLSA-N 2 1 372.557 3.338 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435556 502415560 /nfs/dbraw/zinc/41/55/60/502415560.db2.gz CWZJDGCRGMLPAB-NHCUHLMSSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000465890953 502417218 /nfs/dbraw/zinc/41/72/18/502417218.db2.gz KPUPGCBDAUYLKO-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000465890953 502417221 /nfs/dbraw/zinc/41/72/21/502417221.db2.gz KPUPGCBDAUYLKO-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000465890953 502417227 /nfs/dbraw/zinc/41/72/27/502417227.db2.gz KPUPGCBDAUYLKO-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(F)c2)[C@@H](C)C1 ZINC000483538070 502425195 /nfs/dbraw/zinc/42/51/95/502425195.db2.gz LHOJOVFUJMJGCQ-ZWOKBUDYSA-N 2 1 352.494 3.320 20 0 FGADMP c1c(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000479943941 502427527 /nfs/dbraw/zinc/42/75/27/502427527.db2.gz UVCHMCGCQRXPED-OYRHEFFESA-N 2 1 358.489 3.250 20 0 FGADMP c1c(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)nn1Cc1ccccc1 ZINC000479943941 502427530 /nfs/dbraw/zinc/42/75/30/502427530.db2.gz UVCHMCGCQRXPED-OYRHEFFESA-N 2 1 358.489 3.250 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761193 502433056 /nfs/dbraw/zinc/43/30/56/502433056.db2.gz DBUMTVPBKXVHML-RDJZCZTQSA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761193 502433062 /nfs/dbraw/zinc/43/30/62/502433062.db2.gz DBUMTVPBKXVHML-RDJZCZTQSA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761193 502433065 /nfs/dbraw/zinc/43/30/65/502433065.db2.gz DBUMTVPBKXVHML-RDJZCZTQSA-N 2 1 364.921 3.260 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939352 502434152 /nfs/dbraw/zinc/43/41/52/502434152.db2.gz SHPGQCKBSMGORV-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465939352 502434156 /nfs/dbraw/zinc/43/41/56/502434156.db2.gz SHPGQCKBSMGORV-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465939352 502434159 /nfs/dbraw/zinc/43/41/59/502434159.db2.gz SHPGQCKBSMGORV-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1scc(C)c1Cl ZINC000480029899 502451296 /nfs/dbraw/zinc/45/12/96/502451296.db2.gz GPHQVLIXAJLVKS-CQSZACIVSA-N 2 1 357.951 3.198 20 0 FGADMP C[N@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C2(CCCCC2)C1 ZINC000480041574 502455888 /nfs/dbraw/zinc/45/58/88/502455888.db2.gz HIUVUFJSBNQCRP-UHFFFAOYSA-N 2 1 364.493 3.338 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000462483836 502458561 /nfs/dbraw/zinc/45/85/61/502458561.db2.gz NYDBTQKGVIPTGI-UHFFFAOYSA-N 2 1 362.481 3.034 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000466030881 502459896 /nfs/dbraw/zinc/45/98/96/502459896.db2.gz DESPVTYPXONRSX-UKAVVXHISA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000466030881 502459899 /nfs/dbraw/zinc/45/98/99/502459899.db2.gz DESPVTYPXONRSX-UKAVVXHISA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000466030881 502459903 /nfs/dbraw/zinc/45/99/03/502459903.db2.gz DESPVTYPXONRSX-UKAVVXHISA-N 2 1 372.557 3.164 20 0 FGADMP CCN(CC)C(=O)C[N@H+]1CCCN(c2c(C)c[nH+]c3c(C)cccc32)CC1 ZINC000462489636 502461420 /nfs/dbraw/zinc/46/14/20/502461420.db2.gz YPAVPDNQEUSGQK-UHFFFAOYSA-N 2 1 368.525 3.232 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096482 502471426 /nfs/dbraw/zinc/47/14/26/502471426.db2.gz VANDBJGVSXCZBY-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096482 502471428 /nfs/dbraw/zinc/47/14/28/502471428.db2.gz VANDBJGVSXCZBY-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)CC(C)C ZINC000483716869 502473168 /nfs/dbraw/zinc/47/31/68/502473168.db2.gz UCMPHHIFPSKIIN-QYZOEREBSA-N 2 1 354.583 3.257 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccn(-c4ccccc4)n3)CC2)C[C@@H](C)O1 ZINC000588711614 506316657 /nfs/dbraw/zinc/31/66/57/506316657.db2.gz SRZISJMIXLYVNN-RTBURBONSA-N 2 1 368.525 3.194 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000473002323 502496066 /nfs/dbraw/zinc/49/60/66/502496066.db2.gz ROOUUNJFOYUDMC-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000473002323 502496069 /nfs/dbraw/zinc/49/60/69/502496069.db2.gz ROOUUNJFOYUDMC-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473002323 502496078 /nfs/dbraw/zinc/49/60/78/502496078.db2.gz ROOUUNJFOYUDMC-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008196 502498660 /nfs/dbraw/zinc/49/86/60/502498660.db2.gz ILWVBCWLLWXCEE-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c(C)c1 ZINC000588710725 506317746 /nfs/dbraw/zinc/31/77/46/506317746.db2.gz KSHSRIXCEHDWBT-RTBURBONSA-N 2 1 373.541 3.063 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000476545142 502520670 /nfs/dbraw/zinc/52/06/70/502520670.db2.gz UPGJLFCOXQNCEQ-IRXDYDNUSA-N 2 1 364.534 3.082 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccco2)[NH+](C)C)C1 ZINC000476545142 502520676 /nfs/dbraw/zinc/52/06/76/502520676.db2.gz UPGJLFCOXQNCEQ-IRXDYDNUSA-N 2 1 364.534 3.082 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000480275385 502521449 /nfs/dbraw/zinc/52/14/49/502521449.db2.gz DMJXOFGURVZSCY-UHFFFAOYSA-N 2 1 362.562 3.299 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330476 502539144 /nfs/dbraw/zinc/53/91/44/502539144.db2.gz HFMZMZWIFUVRLA-YYTDSSBASA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466330476 502539150 /nfs/dbraw/zinc/53/91/50/502539150.db2.gz HFMZMZWIFUVRLA-YYTDSSBASA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466330476 502539153 /nfs/dbraw/zinc/53/91/53/502539153.db2.gz HFMZMZWIFUVRLA-YYTDSSBASA-N 2 1 367.537 3.032 20 0 FGADMP C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000483991073 502542956 /nfs/dbraw/zinc/54/29/56/502542956.db2.gz DWXPCQHCAMPPHF-OAQYLSRUSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H](c2ccccc2)C1 ZINC000483991073 502542962 /nfs/dbraw/zinc/54/29/62/502542962.db2.gz DWXPCQHCAMPPHF-OAQYLSRUSA-N 2 1 370.541 3.092 20 0 FGADMP Cc1cc(Br)cn2c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cnc12 ZINC000469850834 502568386 /nfs/dbraw/zinc/56/83/86/502568386.db2.gz JCBAUEDDOGWWJS-OAHLLOKOSA-N 2 1 353.308 3.210 20 0 FGADMP Cc1cc(Br)cn2c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cnc12 ZINC000469850834 502568388 /nfs/dbraw/zinc/56/83/88/502568388.db2.gz JCBAUEDDOGWWJS-OAHLLOKOSA-N 2 1 353.308 3.210 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000462824292 502588642 /nfs/dbraw/zinc/58/86/42/502588642.db2.gz DTWCBUJUZPYWPK-WBVHZDCISA-N 2 1 358.486 3.122 20 0 FGADMP O[C@@]1(CN[C@@H]2CCCOc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484161108 502589558 /nfs/dbraw/zinc/58/95/58/502589558.db2.gz MOWJMUNTJYNWPC-IFMALSPDSA-N 2 1 370.468 3.266 20 0 FGADMP CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000473579924 502644240 /nfs/dbraw/zinc/64/42/40/502644240.db2.gz YXGSODIUWPRUEG-BHIFYINESA-N 2 1 369.553 3.087 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)CC(C)C ZINC000488211524 502659308 /nfs/dbraw/zinc/65/93/08/502659308.db2.gz ANKJHTLUMFPYNI-AZUAARDMSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000463077927 502686171 /nfs/dbraw/zinc/68/61/71/502686171.db2.gz MKEFLHDMFNOZAR-UEVCKROQSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000463077927 502686176 /nfs/dbraw/zinc/68/61/76/502686176.db2.gz MKEFLHDMFNOZAR-UEVCKROQSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000480850940 502688155 /nfs/dbraw/zinc/68/81/55/502688155.db2.gz VXHLPNNXDIJYAL-NQIIRXRSSA-N 2 1 351.494 3.059 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000480850940 502688162 /nfs/dbraw/zinc/68/81/62/502688162.db2.gz VXHLPNNXDIJYAL-NQIIRXRSSA-N 2 1 351.494 3.059 20 0 FGADMP COC(=O)c1ccccc1CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000480856480 502690756 /nfs/dbraw/zinc/69/07/56/502690756.db2.gz ZLUVNDNHQCHVOK-UHFFFAOYSA-N 2 1 367.493 3.259 20 0 FGADMP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000484774769 502738330 /nfs/dbraw/zinc/73/83/30/502738330.db2.gz HDZMMGMTGBVVKV-KURKYZTESA-N 2 1 356.432 3.385 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000474000720 502776143 /nfs/dbraw/zinc/77/61/43/502776143.db2.gz NTRXFZRCHJYUDB-YLJYHZDGSA-N 2 1 369.513 3.059 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474000720 502776149 /nfs/dbraw/zinc/77/61/49/502776149.db2.gz NTRXFZRCHJYUDB-YLJYHZDGSA-N 2 1 369.513 3.059 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919651 502777381 /nfs/dbraw/zinc/77/73/81/502777381.db2.gz UXMQQILCMDHHBU-DLBZAZTESA-N 2 1 353.466 3.477 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470487086 502792673 /nfs/dbraw/zinc/79/26/73/502792673.db2.gz ONEMSDCOOQJRCB-FQEVSTJZSA-N 2 1 360.546 3.069 20 0 FGADMP O[C@]1(CNC2CC[NH+](C3CCCCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000513212255 502878911 /nfs/dbraw/zinc/87/89/11/502878911.db2.gz IYKJQYOBJUXZSE-QHCPKHFHSA-N 2 1 371.569 3.010 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000505509655 502922080 /nfs/dbraw/zinc/92/20/80/502922080.db2.gz HCGUHINGRUUKEO-QFIPXVFZSA-N 2 1 357.542 3.476 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000505509655 502922083 /nfs/dbraw/zinc/92/20/83/502922083.db2.gz HCGUHINGRUUKEO-QFIPXVFZSA-N 2 1 357.542 3.476 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000505509655 502922087 /nfs/dbraw/zinc/92/20/87/502922087.db2.gz HCGUHINGRUUKEO-QFIPXVFZSA-N 2 1 357.542 3.476 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)CC1 ZINC000497122828 502922867 /nfs/dbraw/zinc/92/28/67/502922867.db2.gz BPXRHKQKMZVHDV-RBBKRZOGSA-N 2 1 359.558 3.202 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000501063594 502925731 /nfs/dbraw/zinc/92/57/31/502925731.db2.gz QJSMTWRTIXTZEL-GOSISDBHSA-N 2 1 360.546 3.264 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000509572813 502938037 /nfs/dbraw/zinc/93/80/37/502938037.db2.gz XZIQOTUBROUOBS-CABCVRRESA-N 2 1 358.404 3.353 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OCC(F)(F)F ZINC000509572813 502938040 /nfs/dbraw/zinc/93/80/40/502938040.db2.gz XZIQOTUBROUOBS-CABCVRRESA-N 2 1 358.404 3.353 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149874 502949508 /nfs/dbraw/zinc/94/95/08/502949508.db2.gz IFJZANOMJFIRAI-OKZBNKHCSA-N 2 1 364.559 3.057 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)C(C)C ZINC000509710546 502973106 /nfs/dbraw/zinc/97/31/06/502973106.db2.gz FINFHZIXKMGYJR-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C(C)C ZINC000509710546 502973111 /nfs/dbraw/zinc/97/31/11/502973111.db2.gz FINFHZIXKMGYJR-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000509710546 502973114 /nfs/dbraw/zinc/97/31/14/502973114.db2.gz FINFHZIXKMGYJR-CTNGQTDRSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](CNC(=O)N(CC[NH+](C)C)CC(C)C)[N@H+]1CCc2ccccc2C1 ZINC000501377856 502996888 /nfs/dbraw/zinc/99/68/88/502996888.db2.gz SHNCEIHZFONPQS-OAQYLSRUSA-N 2 1 374.573 3.053 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489613659 502998834 /nfs/dbraw/zinc/99/88/34/502998834.db2.gz TVZKXLMJAALQSQ-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608299 502999324 /nfs/dbraw/zinc/99/93/24/502999324.db2.gz DCMXNMGWGNUQAX-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)c2nccn21 ZINC000582649145 506346258 /nfs/dbraw/zinc/34/62/58/506346258.db2.gz LZSJRSWUICRABX-VXIBKDFQSA-N 2 1 367.497 3.193 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000501488889 503019496 /nfs/dbraw/zinc/01/94/96/503019496.db2.gz DQUQGSMNRIGWGW-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000501488889 503019502 /nfs/dbraw/zinc/01/95/02/503019502.db2.gz DQUQGSMNRIGWGW-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000501488889 503019504 /nfs/dbraw/zinc/01/95/04/503019504.db2.gz DQUQGSMNRIGWGW-IYWMVGAKSA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000501490213 503019629 /nfs/dbraw/zinc/01/96/29/503019629.db2.gz JOAYXPKQEQRDAH-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000489793516 503036194 /nfs/dbraw/zinc/03/61/94/503036194.db2.gz CUNBAJZQDVGERC-WOJBJXKFSA-N 2 1 364.578 3.157 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000497809034 503046117 /nfs/dbraw/zinc/04/61/17/503046117.db2.gz RQEKRDTYWNDCLQ-FQEVSTJZSA-N 2 1 373.516 3.294 20 0 FGADMP C[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1(C)CCCC1 ZINC000489883649 503056572 /nfs/dbraw/zinc/05/65/72/503056572.db2.gz JATNVBIDGFVSIK-UHFFFAOYSA-N 2 1 361.555 3.438 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000489909530 503062827 /nfs/dbraw/zinc/06/28/27/503062827.db2.gz QUNHWUKYFILVQV-TZIWHRDSSA-N 2 1 373.541 3.342 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000489909530 503062831 /nfs/dbraw/zinc/06/28/31/503062831.db2.gz QUNHWUKYFILVQV-TZIWHRDSSA-N 2 1 373.541 3.342 20 0 FGADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501749819 503071821 /nfs/dbraw/zinc/07/18/21/503071821.db2.gz URNOSMNBTRRIEK-IBGZPJMESA-N 2 1 365.949 3.495 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965939 503075843 /nfs/dbraw/zinc/07/58/43/503075843.db2.gz WHNHRTVTZRHJKH-XLIFZOOWSA-N 2 1 357.542 3.275 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000514098153 503087310 /nfs/dbraw/zinc/08/73/10/503087310.db2.gz DRQKDGOYCSJGIU-HBMCJLEFSA-N 3 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000514098153 503087314 /nfs/dbraw/zinc/08/73/14/503087314.db2.gz DRQKDGOYCSJGIU-HBMCJLEFSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000514098153 503087318 /nfs/dbraw/zinc/08/73/18/503087318.db2.gz DRQKDGOYCSJGIU-HBMCJLEFSA-N 2 1 359.558 3.370 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000510333546 503094064 /nfs/dbraw/zinc/09/40/64/503094064.db2.gz YJEZAZWTSYJZNV-INIZCTEOSA-N 2 1 371.506 3.195 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000510333546 503094067 /nfs/dbraw/zinc/09/40/67/503094067.db2.gz YJEZAZWTSYJZNV-INIZCTEOSA-N 2 1 371.506 3.195 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000514145588 503098821 /nfs/dbraw/zinc/09/88/21/503098821.db2.gz OLPNOVNWIKLKAA-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000514145588 503098826 /nfs/dbraw/zinc/09/88/26/503098826.db2.gz OLPNOVNWIKLKAA-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000514145588 503098832 /nfs/dbraw/zinc/09/88/32/503098832.db2.gz OLPNOVNWIKLKAA-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000498074467 503101321 /nfs/dbraw/zinc/10/13/21/503101321.db2.gz UDMNNHDXYNILFA-PVAVHDDUSA-N 2 1 371.447 3.332 20 0 FGADMP COc1cc(N[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067716 503102550 /nfs/dbraw/zinc/10/25/50/503102550.db2.gz PIHGZFBDOVNIPS-PKOBYXMFSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cc(OC)c1 ZINC000490067716 503102555 /nfs/dbraw/zinc/10/25/55/503102555.db2.gz PIHGZFBDOVNIPS-PKOBYXMFSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cc(OC)c1 ZINC000490067716 503102559 /nfs/dbraw/zinc/10/25/59/503102559.db2.gz PIHGZFBDOVNIPS-PKOBYXMFSA-N 2 1 361.530 3.455 20 0 FGADMP c1cc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)ccc1C[NH+]1CCO[C@H]2CCC[C@H]21 ZINC000514193701 503109764 /nfs/dbraw/zinc/10/97/64/503109764.db2.gz GYIBUZSNDBSMOR-ZDNVTZCJSA-N 2 1 356.510 3.193 20 0 FGADMP c1cc(C[N@@H+]2CCO[C@H]3CCC[C@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193701 503109768 /nfs/dbraw/zinc/10/97/68/503109768.db2.gz GYIBUZSNDBSMOR-ZDNVTZCJSA-N 2 1 356.510 3.193 20 0 FGADMP c1cc(C[N@H+]2CCO[C@H]3CCC[C@H]32)ccc1C[NH+]1CCO[C@@H]2CCC[C@@H]21 ZINC000514193701 503109773 /nfs/dbraw/zinc/10/97/73/503109773.db2.gz GYIBUZSNDBSMOR-ZDNVTZCJSA-N 2 1 356.510 3.193 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211017 503113754 /nfs/dbraw/zinc/11/37/54/503113754.db2.gz MMUVGUGMTVQMHX-BNDYYXHWSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211017 503113758 /nfs/dbraw/zinc/11/37/58/503113758.db2.gz MMUVGUGMTVQMHX-BNDYYXHWSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211017 503113760 /nfs/dbraw/zinc/11/37/60/503113760.db2.gz MMUVGUGMTVQMHX-BNDYYXHWSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c2ccccc21 ZINC000514214228 503115026 /nfs/dbraw/zinc/11/50/26/503115026.db2.gz LZSRBHUFARSHPX-OAHLLOKOSA-N 2 1 359.901 3.308 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514229970 503119329 /nfs/dbraw/zinc/11/93/29/503119329.db2.gz VKIDVHYLXBTBRM-NSHGMRRFSA-N 2 1 360.546 3.017 20 0 FGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000502030969 503129912 /nfs/dbraw/zinc/12/99/12/503129912.db2.gz IGUNVUUIYOVTDW-QHAWAJNXSA-N 2 1 357.542 3.442 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000510527532 503135191 /nfs/dbraw/zinc/13/51/91/503135191.db2.gz XULZCXYKQBLLEZ-JRGCBEDISA-N 2 1 353.510 3.405 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[C@@H]1C ZINC000498239157 503139869 /nfs/dbraw/zinc/13/98/69/503139869.db2.gz LVDHJRDIWLEEFS-FHWLQOOXSA-N 2 1 372.557 3.336 20 0 FGADMP C[C@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551425 503142555 /nfs/dbraw/zinc/14/25/55/503142555.db2.gz UIGREECTKPXOGV-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551423 503142713 /nfs/dbraw/zinc/14/27/13/503142713.db2.gz UIGREECTKPXOGV-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414390 503182940 /nfs/dbraw/zinc/18/29/40/503182940.db2.gz PHJKYHAKCNKFSS-XWDNEUNKSA-N 2 1 362.518 3.023 20 0 FGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C1CCCC1 ZINC000514855037 503210978 /nfs/dbraw/zinc/21/09/78/503210978.db2.gz KAEANMASPPJDHA-UWVAXJGDSA-N 2 1 369.509 3.091 20 0 FGADMP C[C@H]1CC[C@@H](CN(CCn2ccnc2)Cc2ccc(Br)o2)O1 ZINC000510963934 503226071 /nfs/dbraw/zinc/22/60/71/503226071.db2.gz BRHYCQGFGVOQPJ-KBPBESRZSA-N 2 1 368.275 3.308 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000498625416 503227856 /nfs/dbraw/zinc/22/78/56/503227856.db2.gz FHDGZGYSUDPJBG-QKLQHJQFSA-N 2 1 361.530 3.401 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000498625416 503227860 /nfs/dbraw/zinc/22/78/60/503227860.db2.gz FHDGZGYSUDPJBG-QKLQHJQFSA-N 2 1 361.530 3.401 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000498725843 503249501 /nfs/dbraw/zinc/24/95/01/503249501.db2.gz AMGKSGKQJOJNCE-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058181 503266874 /nfs/dbraw/zinc/26/68/74/503266874.db2.gz OCIIJEPJPQIOSP-IBGZPJMESA-N 2 1 374.525 3.440 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491058181 503266876 /nfs/dbraw/zinc/26/68/76/503266876.db2.gz OCIIJEPJPQIOSP-IBGZPJMESA-N 2 1 374.525 3.440 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@H]3CCC[N@H+](C)[C@@H]3c3cccs3)ccc21 ZINC000511242053 503285535 /nfs/dbraw/zinc/28/55/35/503285535.db2.gz LSYWVJIGNJCCSZ-BEFAXECRSA-N 2 1 371.506 3.366 20 0 FGADMP CC(C)[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000511379212 503310224 /nfs/dbraw/zinc/31/02/24/503310224.db2.gz PMFUJWHDUWZGLA-UXHICEINSA-N 2 1 367.965 3.420 20 0 FGADMP CC(C)[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511379212 503310228 /nfs/dbraw/zinc/31/02/28/503310228.db2.gz PMFUJWHDUWZGLA-UXHICEINSA-N 2 1 367.965 3.420 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000502943022 503312080 /nfs/dbraw/zinc/31/20/80/503312080.db2.gz YJORUQUKKHVRPM-ZWKOTPCHSA-N 2 1 360.546 3.147 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511412573 503316717 /nfs/dbraw/zinc/31/67/17/503316717.db2.gz DJUUFANDTLQGCK-UYAOXDASSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511412573 503316721 /nfs/dbraw/zinc/31/67/21/503316721.db2.gz DJUUFANDTLQGCK-UYAOXDASSA-N 2 1 374.573 3.317 20 0 FGADMP COCCC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353070 503322319 /nfs/dbraw/zinc/32/23/19/503322319.db2.gz ACWAOZIYSWXJPY-CTNGQTDRSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000499085403 503329962 /nfs/dbraw/zinc/32/99/62/503329962.db2.gz SAJGZTDCMPWUAE-GOSISDBHSA-N 2 1 353.510 3.389 20 0 FGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623097 503376123 /nfs/dbraw/zinc/37/61/23/503376123.db2.gz WRPDZOVSCUCPPS-DOTOQJQBSA-N 2 1 358.461 3.445 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000503269927 503381459 /nfs/dbraw/zinc/38/14/59/503381459.db2.gz NPHPBBXLPJCQLD-HXUWFJFHSA-N 2 1 350.466 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503376299 503397104 /nfs/dbraw/zinc/39/71/04/503397104.db2.gz KCUSKYGCHUUWDQ-FGTMMUONSA-N 2 1 358.530 3.188 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000503376299 503397108 /nfs/dbraw/zinc/39/71/08/503397108.db2.gz KCUSKYGCHUUWDQ-FGTMMUONSA-N 2 1 358.530 3.188 20 0 FGADMP COc1ccc(C[C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1OC ZINC000512011467 503434342 /nfs/dbraw/zinc/43/43/42/503434342.db2.gz WATBRRGOYDOOES-AWEZNQCLSA-N 2 1 363.527 3.190 20 0 FGADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000493668195 503438085 /nfs/dbraw/zinc/43/80/85/503438085.db2.gz CDSMFNPVDDDJQV-JTSKRJEESA-N 2 1 353.510 3.484 20 0 FGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000493734313 503442759 /nfs/dbraw/zinc/44/27/59/503442759.db2.gz FBMCRURXXHYDIJ-WMZHIEFXSA-N 2 1 367.537 3.300 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc(Br)ccc2F)s1 ZINC000512099753 503456686 /nfs/dbraw/zinc/45/66/86/503456686.db2.gz PUWNMJDJFZWCNR-UHFFFAOYSA-N 2 1 372.307 3.439 20 0 FGADMP Cc1ccc2oc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2c1 ZINC000516207843 503470696 /nfs/dbraw/zinc/47/06/96/503470696.db2.gz RUPLTGBCQMHFRD-UHFFFAOYSA-N 2 1 350.422 3.140 20 0 FGADMP CC1(C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000516238247 503477733 /nfs/dbraw/zinc/47/77/33/503477733.db2.gz DTRVOIMKSPJHPU-SFHVURJKSA-N 2 1 363.933 3.325 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)C1 ZINC000516238247 503477737 /nfs/dbraw/zinc/47/77/37/503477737.db2.gz DTRVOIMKSPJHPU-SFHVURJKSA-N 2 1 363.933 3.325 20 0 FGADMP CCc1cc(OC)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000503907086 503486359 /nfs/dbraw/zinc/48/63/59/503486359.db2.gz CCTXMBJRQVLMLS-OALUTQOASA-N 2 1 359.558 3.248 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccc2ccccc2c1 ZINC000516307993 503490981 /nfs/dbraw/zinc/49/09/81/503490981.db2.gz YYTQRJFKVLRJSJ-UHFFFAOYSA-N 2 1 353.510 3.262 20 0 FGADMP CCCCCNC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512235126 503493690 /nfs/dbraw/zinc/49/36/90/503493690.db2.gz ACSILUWIJDDJNP-SIKLNZKXSA-N 2 1 357.542 3.279 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)CCC[NH+]2CCCC2)cc1Cl ZINC000499915361 503510071 /nfs/dbraw/zinc/51/00/71/503510071.db2.gz YEQZVPBHNQJOPW-UHFFFAOYSA-N 2 1 353.894 3.095 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000499925231 503512240 /nfs/dbraw/zinc/51/22/40/503512240.db2.gz CDDFRYIVBZWITP-UHFFFAOYSA-N 2 1 373.570 3.113 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000499925231 503512243 /nfs/dbraw/zinc/51/22/43/503512243.db2.gz CDDFRYIVBZWITP-UHFFFAOYSA-N 2 1 373.570 3.113 20 0 FGADMP c1c[nH]c(CN2CCN(CCCOc3ccc4ccccc4c3)CC2)n1 ZINC000512315043 503516765 /nfs/dbraw/zinc/51/67/65/503516765.db2.gz RPXIVABESCGHKN-UHFFFAOYSA-N 2 1 350.466 3.150 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](C(N)=O)c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000512331698 503522366 /nfs/dbraw/zinc/52/23/66/503522366.db2.gz PFXUPIDZVHCJSU-QFUCXCTJSA-N 2 1 351.494 3.103 20 0 FGADMP C(C[NH+]1CCC[C@H](OCC2CC2)C1)C[N@@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494700136 503594952 /nfs/dbraw/zinc/59/49/52/503594952.db2.gz BKOQCGBDBIUXDH-SFTDATJTSA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H](OCC2CC2)C1)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494700136 503594957 /nfs/dbraw/zinc/59/49/57/503594957.db2.gz BKOQCGBDBIUXDH-SFTDATJTSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000516845116 503598403 /nfs/dbraw/zinc/59/84/03/503598403.db2.gz HXZWZRULYHDNTP-RBUKOAKNSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2[C@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000512656358 503605013 /nfs/dbraw/zinc/60/50/13/503605013.db2.gz ZJHDMVVIYSPAMQ-HVUVFYDKSA-N 2 1 372.553 3.129 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1ccccc1CC[NH3+] ZINC000516874399 503605933 /nfs/dbraw/zinc/60/59/33/503605933.db2.gz FJTXSZLYMPNPCA-GOSISDBHSA-N 2 1 365.521 3.492 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H]3CCCOC3)CC2)c1C ZINC000509073034 503635251 /nfs/dbraw/zinc/63/52/51/503635251.db2.gz XTMNZOUBWOCPLU-SFHVURJKSA-N 2 1 361.530 3.030 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H]3CCCOC3)CC2)c1C ZINC000509073034 503635254 /nfs/dbraw/zinc/63/52/54/503635254.db2.gz XTMNZOUBWOCPLU-SFHVURJKSA-N 2 1 361.530 3.030 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2I)C1 ZINC000516980991 503637546 /nfs/dbraw/zinc/63/75/46/503637546.db2.gz HDYLRXVKUCVNPT-NEPJUHHUSA-N 2 1 364.658 3.304 20 0 FGADMP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000500541733 503644407 /nfs/dbraw/zinc/64/44/07/503644407.db2.gz WVFDZNWWCUSRTA-SFTDATJTSA-N 2 1 372.557 3.339 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117931 503674345 /nfs/dbraw/zinc/67/43/45/503674345.db2.gz GTADMUMFTPUELV-JNLAIUADSA-N 2 1 361.505 3.104 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122869 503675173 /nfs/dbraw/zinc/67/51/73/503675173.db2.gz TVWFJJOFKDFMLT-ICSRJNTNSA-N 2 1 357.542 3.450 20 0 FGADMP Cc1nc(NC2CC[NH+](C(C)C)CC2)cc(NC2CC[NH+](C(C)C)CC2)n1 ZINC000533100727 503731580 /nfs/dbraw/zinc/73/15/80/503731580.db2.gz SBAZXTZOMJQZBR-UHFFFAOYSA-N 2 1 374.577 3.354 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000536851189 503740737 /nfs/dbraw/zinc/74/07/37/503740737.db2.gz JHGALQLOLWOILY-IEBWSBKVSA-N 2 1 365.468 3.089 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000517576321 503775841 /nfs/dbraw/zinc/77/58/41/503775841.db2.gz KEMUOGYGVJGOGV-PKOBYXMFSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CSc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517655197 503798808 /nfs/dbraw/zinc/79/88/08/503798808.db2.gz ACYFNPQOKRISLJ-INIZCTEOSA-N 2 1 370.522 3.200 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)CC1 ZINC000543618082 503829927 /nfs/dbraw/zinc/82/99/27/503829927.db2.gz MIXDUOFFMOJSRD-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C(C)C)C3CCC3)CC2)cc1 ZINC000537252468 503857817 /nfs/dbraw/zinc/85/78/17/503857817.db2.gz FXNWDVIJTOJLPF-UHFFFAOYSA-N 2 1 357.542 3.292 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C(C)C)C3CCC3)CC2)cc1 ZINC000537252468 503857821 /nfs/dbraw/zinc/85/78/21/503857821.db2.gz FXNWDVIJTOJLPF-UHFFFAOYSA-N 2 1 357.542 3.292 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C(C)C)C3CCC3)CC2)cc1 ZINC000537252468 503857828 /nfs/dbraw/zinc/85/78/28/503857828.db2.gz FXNWDVIJTOJLPF-UHFFFAOYSA-N 2 1 357.542 3.292 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)CC(C)C ZINC000517913527 503865959 /nfs/dbraw/zinc/86/59/59/503865959.db2.gz KMRUTNPTJUXPNP-MOPGFXCFSA-N 2 1 354.583 3.163 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000517916867 503867508 /nfs/dbraw/zinc/86/75/08/503867508.db2.gz MXVNEXRVTHZNPW-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000530216429 503880387 /nfs/dbraw/zinc/88/03/87/503880387.db2.gz BKYYNXWEDPUAGO-FCHUYYIVSA-N 2 1 371.500 3.423 20 0 FGADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000530216429 503880394 /nfs/dbraw/zinc/88/03/94/503880394.db2.gz BKYYNXWEDPUAGO-FCHUYYIVSA-N 2 1 371.500 3.423 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539539 503882229 /nfs/dbraw/zinc/88/22/29/503882229.db2.gz XOYWSFHVXAAJBT-HYVNUMGLSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539539 503882233 /nfs/dbraw/zinc/88/22/33/503882233.db2.gz XOYWSFHVXAAJBT-HYVNUMGLSA-N 2 1 358.404 3.269 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011104 503888685 /nfs/dbraw/zinc/88/86/85/503888685.db2.gz DOOCZCUSAHKDQU-PZJWPPBQSA-N 2 1 372.557 3.386 20 0 FGADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000518052039 503898705 /nfs/dbraw/zinc/89/87/05/503898705.db2.gz YYEMIWFKTOGODF-IBGZPJMESA-N 2 1 371.550 3.306 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[NH+]2CCCC2)cc1 ZINC000537583042 503962841 /nfs/dbraw/zinc/96/28/41/503962841.db2.gz AUFDJZKGCHVBOD-OAQYLSRUSA-N 2 1 366.509 3.024 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C(C)C ZINC000518456840 503990212 /nfs/dbraw/zinc/99/02/12/503990212.db2.gz BMSYYXWUJZBMCD-LJQANCHMSA-N 2 1 359.558 3.176 20 0 FGADMP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(C)C ZINC000518460063 503991692 /nfs/dbraw/zinc/99/16/92/503991692.db2.gz BDWRFMJSFYGTSP-UHFFFAOYSA-N 2 1 353.510 3.214 20 0 FGADMP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C(C)C ZINC000518460063 503991695 /nfs/dbraw/zinc/99/16/95/503991695.db2.gz BDWRFMJSFYGTSP-UHFFFAOYSA-N 2 1 353.510 3.214 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)nc(C)[nH+]1 ZINC000530545622 504004435 /nfs/dbraw/zinc/00/44/35/504004435.db2.gz AFHYXPPSUFJJEU-DFQSSKMNSA-N 2 1 358.530 3.247 20 0 FGADMP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527941409 504008317 /nfs/dbraw/zinc/00/83/17/504008317.db2.gz YVQOBGHOLOQULL-JQHSSLGASA-N 2 1 366.431 3.487 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055225 504027264 /nfs/dbraw/zinc/02/72/64/504027264.db2.gz HWQDGNZBWKIYIW-QZTJIDSGSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055225 504027269 /nfs/dbraw/zinc/02/72/69/504027269.db2.gz HWQDGNZBWKIYIW-QZTJIDSGSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055225 504027275 /nfs/dbraw/zinc/02/72/75/504027275.db2.gz HWQDGNZBWKIYIW-QZTJIDSGSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055225 504027282 /nfs/dbraw/zinc/02/72/82/504027282.db2.gz HWQDGNZBWKIYIW-QZTJIDSGSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055225 504027285 /nfs/dbraw/zinc/02/72/85/504027285.db2.gz HWQDGNZBWKIYIW-QZTJIDSGSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C/C=C\c2ccccc2F)CC1 ZINC000530685050 504052289 /nfs/dbraw/zinc/05/22/89/504052289.db2.gz XZGKBEVCWLPIQG-XQRVVYSFSA-N 2 1 354.429 3.015 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(SC)c(OC)c2)C1 ZINC000530867080 504113302 /nfs/dbraw/zinc/11/33/02/504113302.db2.gz SRPBNJPEZCKBKY-QGZVFWFLSA-N 2 1 352.544 3.350 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2c(Cl)cccc2Cl)C2CC2)CC1 ZINC000519036349 504123732 /nfs/dbraw/zinc/12/37/32/504123732.db2.gz VLSSHRZYGGIJLB-GOSISDBHSA-N 2 1 370.324 3.198 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000530905127 504125374 /nfs/dbraw/zinc/12/53/74/504125374.db2.gz BHZNYOGLAQVUND-YSIASYRMSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000530905127 504125377 /nfs/dbraw/zinc/12/53/77/504125377.db2.gz BHZNYOGLAQVUND-YSIASYRMSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000530905127 504125380 /nfs/dbraw/zinc/12/53/80/504125380.db2.gz BHZNYOGLAQVUND-YSIASYRMSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000530905127 504125384 /nfs/dbraw/zinc/12/53/84/504125384.db2.gz BHZNYOGLAQVUND-YSIASYRMSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000530905122 504125419 /nfs/dbraw/zinc/12/54/19/504125419.db2.gz BHZNYOGLAQVUND-DFQSSKMNSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000530905122 504125422 /nfs/dbraw/zinc/12/54/22/504125422.db2.gz BHZNYOGLAQVUND-DFQSSKMNSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000530905122 504125427 /nfs/dbraw/zinc/12/54/27/504125427.db2.gz BHZNYOGLAQVUND-DFQSSKMNSA-N 2 1 362.558 3.447 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000530905122 504125431 /nfs/dbraw/zinc/12/54/31/504125431.db2.gz BHZNYOGLAQVUND-DFQSSKMNSA-N 2 1 362.558 3.447 20 0 FGADMP CC(C[NH+]1CC[C@H](C2CCOCC2)C1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380916 504125660 /nfs/dbraw/zinc/12/56/60/504125660.db2.gz UKDUIEPIPNKAEV-VXKWHMMOSA-N 2 1 364.574 3.120 20 0 FGADMP C[NH+](C)CCCOc1ccc(CNc2cc[nH+]cc2Br)cc1 ZINC000547501770 504127989 /nfs/dbraw/zinc/12/79/89/504127989.db2.gz PRPJMGCSSYZYFE-UHFFFAOYSA-N 2 1 364.287 3.209 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000519078356 504134108 /nfs/dbraw/zinc/13/41/08/504134108.db2.gz OMJVULDRONTKNV-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000519145576 504149950 /nfs/dbraw/zinc/14/99/50/504149950.db2.gz VFWIDTPRIGKPLZ-UHFFFAOYSA-N 2 1 372.557 3.133 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000538216272 504165757 /nfs/dbraw/zinc/16/57/57/504165757.db2.gz QDDVUKYVENSDRW-LJQANCHMSA-N 2 1 365.949 3.417 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737333 504204789 /nfs/dbraw/zinc/20/47/89/504204789.db2.gz KVWXMXHCQHWVRT-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737333 504204796 /nfs/dbraw/zinc/20/47/96/504204796.db2.gz KVWXMXHCQHWVRT-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737333 504204802 /nfs/dbraw/zinc/20/48/02/504204802.db2.gz KVWXMXHCQHWVRT-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000544683969 504216791 /nfs/dbraw/zinc/21/67/91/504216791.db2.gz ZEDLDVNYCWXDGQ-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683969 504216796 /nfs/dbraw/zinc/21/67/96/504216796.db2.gz ZEDLDVNYCWXDGQ-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683969 504216800 /nfs/dbraw/zinc/21/68/00/504216800.db2.gz ZEDLDVNYCWXDGQ-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000519452996 504224258 /nfs/dbraw/zinc/22/42/58/504224258.db2.gz RVFFFJJVOSJDSJ-OTWHNJEPSA-N 2 1 374.573 3.304 20 0 FGADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)[C@H](C)[C@@H]1OC ZINC000538406201 504237903 /nfs/dbraw/zinc/23/79/03/504237903.db2.gz SPUDMUAFWQZWGT-OTWHNJEPSA-N 2 1 352.563 3.451 20 0 FGADMP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519534736 504245022 /nfs/dbraw/zinc/24/50/22/504245022.db2.gz BDJOYLDMAVTURZ-DNVCBOLYSA-N 2 1 371.550 3.337 20 0 FGADMP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519534736 504245028 /nfs/dbraw/zinc/24/50/28/504245028.db2.gz BDJOYLDMAVTURZ-DNVCBOLYSA-N 2 1 371.550 3.337 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000544757504 504246857 /nfs/dbraw/zinc/24/68/57/504246857.db2.gz OIXBKAAEQDOERW-ZDUSSCGKSA-N 2 1 365.465 3.403 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sc(C)nc2C(F)(F)F)C1 ZINC000544757504 504246862 /nfs/dbraw/zinc/24/68/62/504246862.db2.gz OIXBKAAEQDOERW-ZDUSSCGKSA-N 2 1 365.465 3.403 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000531292717 504253990 /nfs/dbraw/zinc/25/39/90/504253990.db2.gz DIWOOGMLVGKFQF-RTWAWAEBSA-N 2 1 355.526 3.128 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000541855853 504278156 /nfs/dbraw/zinc/27/81/56/504278156.db2.gz LOIMPMPQLPFYQN-MRXNPFEDSA-N 2 1 363.465 3.279 20 0 FGADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000519644107 504286817 /nfs/dbraw/zinc/28/68/17/504286817.db2.gz LPRDBUFQZMJGKS-YVEFUNNKSA-N 2 1 370.324 3.072 20 0 FGADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000535146449 504355353 /nfs/dbraw/zinc/35/53/53/504355353.db2.gz DFHJIVMKFZLRIA-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000538749765 504357183 /nfs/dbraw/zinc/35/71/83/504357183.db2.gz FCWZAUUOKCEISX-HXUWFJFHSA-N 2 1 372.513 3.018 20 0 FGADMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000538799706 504375636 /nfs/dbraw/zinc/37/56/36/504375636.db2.gz SGLWFMDNCQAKDE-NQIIRXRSSA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000538799706 504375643 /nfs/dbraw/zinc/37/56/43/504375643.db2.gz SGLWFMDNCQAKDE-NQIIRXRSSA-N 2 1 372.509 3.077 20 0 FGADMP CCOC(=O)COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000538799706 504375649 /nfs/dbraw/zinc/37/56/49/504375649.db2.gz SGLWFMDNCQAKDE-NQIIRXRSSA-N 2 1 372.509 3.077 20 0 FGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678236 504390145 /nfs/dbraw/zinc/39/01/45/504390145.db2.gz QRUIXNVAUHMIMR-QFBILLFUSA-N 2 1 361.530 3.397 20 0 FGADMP Cc1nc(C)c([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000531709562 504398953 /nfs/dbraw/zinc/39/89/53/504398953.db2.gz REFDYHODSSQNEU-LPHOPBHVSA-N 2 1 358.555 3.399 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(F)cc2F)CC1 ZINC000520044459 504403761 /nfs/dbraw/zinc/40/37/61/504403761.db2.gz SMWHRQJTHVIRMK-CQSZACIVSA-N 2 1 353.457 3.346 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCCCC1 ZINC000548389262 504426610 /nfs/dbraw/zinc/42/66/10/504426610.db2.gz YZGJSNWMHRLSPT-UHFFFAOYSA-N 2 1 372.557 3.027 20 0 FGADMP CN1CC[NH+](Cc2ccc(NC(=O)CC[N@H+](C)C3CCCCC3)cc2)CC1 ZINC000548389262 504426613 /nfs/dbraw/zinc/42/66/13/504426613.db2.gz YZGJSNWMHRLSPT-UHFFFAOYSA-N 2 1 372.557 3.027 20 0 FGADMP CN1CC[NH+](Cc2ccc(NC(=O)CC[N@@H+](C)C3CCCCC3)cc2)CC1 ZINC000548389262 504426618 /nfs/dbraw/zinc/42/66/18/504426618.db2.gz YZGJSNWMHRLSPT-UHFFFAOYSA-N 2 1 372.557 3.027 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178252 504427445 /nfs/dbraw/zinc/42/74/45/504427445.db2.gz WTDLZVWEZHXCTQ-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520178252 504427448 /nfs/dbraw/zinc/42/74/48/504427448.db2.gz WTDLZVWEZHXCTQ-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000520178252 504427452 /nfs/dbraw/zinc/42/74/52/504427452.db2.gz WTDLZVWEZHXCTQ-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccncc1[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000538985333 504440237 /nfs/dbraw/zinc/44/02/37/504440237.db2.gz GQEUCKGRGZRWCE-KNQAVFIVSA-N 2 1 352.526 3.419 20 0 FGADMP O=C1[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)CCN1c1ccc(Cl)cc1Cl ZINC000520230373 504442076 /nfs/dbraw/zinc/44/20/76/504442076.db2.gz MPVPHCZYDCCAOI-MRXNPFEDSA-N 2 1 368.308 3.174 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000528904048 504442616 /nfs/dbraw/zinc/44/26/16/504442616.db2.gz HGCUEEYLTMTGAO-GOSISDBHSA-N 2 1 374.529 3.285 20 0 FGADMP C[C@H]([NH2+]CCC(=O)NCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483288 504461138 /nfs/dbraw/zinc/46/11/38/504461138.db2.gz WAGWAPPDUDMGKI-UGKGYDQZSA-N 2 1 365.521 3.193 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)Cc1ccccc1 ZINC000542516771 504522099 /nfs/dbraw/zinc/52/20/99/504522099.db2.gz GSXHLCZMMRXNBR-PMOQBDJRSA-N 2 1 352.522 3.338 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)Cc1ccccc1 ZINC000542516771 504522104 /nfs/dbraw/zinc/52/21/04/504522104.db2.gz GSXHLCZMMRXNBR-PMOQBDJRSA-N 2 1 352.522 3.338 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)Cc1ccccc1 ZINC000542516772 504522160 /nfs/dbraw/zinc/52/21/60/504522160.db2.gz GSXHLCZMMRXNBR-VJBMBRPKSA-N 2 1 352.522 3.338 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)Cc1ccccc1 ZINC000542516772 504522165 /nfs/dbraw/zinc/52/21/65/504522165.db2.gz GSXHLCZMMRXNBR-VJBMBRPKSA-N 2 1 352.522 3.338 20 0 FGADMP C[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000548739597 504548524 /nfs/dbraw/zinc/54/85/24/504548524.db2.gz OYVJJKSHYXMVSK-UHFFFAOYSA-N 2 1 351.494 3.144 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NCC2=CC[N@@H+](C)CC2)CCCC1)c1ccccc1 ZINC000539475456 504583767 /nfs/dbraw/zinc/58/37/67/504583767.db2.gz QBZDSYLCZINEKZ-GOSISDBHSA-N 2 1 370.541 3.211 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000520892815 504604891 /nfs/dbraw/zinc/60/48/91/504604891.db2.gz OIDVQGCRFAFZQG-ROUUACIJSA-N 2 1 364.534 3.226 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(F)c(F)c2)[C@@H](c2ccccc2)C1 ZINC000520951867 504615437 /nfs/dbraw/zinc/61/54/37/504615437.db2.gz QGYUVUXQTVIFKJ-OAQYLSRUSA-N 2 1 359.464 3.433 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521001669 504627342 /nfs/dbraw/zinc/62/73/42/504627342.db2.gz IFPRFIHQLZRTNN-MOPGFXCFSA-N 2 1 357.542 3.135 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC1 ZINC000532388121 504632799 /nfs/dbraw/zinc/63/27/99/504632799.db2.gz ILSKEVQUYZEXEB-IBGZPJMESA-N 2 1 357.542 3.267 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000545986411 504665912 /nfs/dbraw/zinc/66/59/12/504665912.db2.gz HSZKVRLNZCIGHL-FQEVSTJZSA-N 2 1 361.505 3.125 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000545986411 504665917 /nfs/dbraw/zinc/66/59/17/504665917.db2.gz HSZKVRLNZCIGHL-FQEVSTJZSA-N 2 1 361.505 3.125 20 0 FGADMP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1OC ZINC000521193492 504675142 /nfs/dbraw/zinc/67/51/42/504675142.db2.gz FXIDOIFILLMOJK-QGZVFWFLSA-N 2 1 361.530 3.069 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H](C)c1ccccc1OC ZINC000521193492 504675148 /nfs/dbraw/zinc/67/51/48/504675148.db2.gz FXIDOIFILLMOJK-QGZVFWFLSA-N 2 1 361.530 3.069 20 0 FGADMP CCc1sc(-c2nnc(C[N@H+]3CC[C@@H](c4nccn4C)C3)o2)cc1C ZINC000521266492 504696567 /nfs/dbraw/zinc/69/65/67/504696567.db2.gz CIXXWCLRWMGSOV-CYBMUJFWSA-N 2 1 357.483 3.392 20 0 FGADMP CCc1sc(-c2nnc(CN3CC[C@@H](c4nccn4C)C3)o2)cc1C ZINC000521266492 504696573 /nfs/dbraw/zinc/69/65/73/504696573.db2.gz CIXXWCLRWMGSOV-CYBMUJFWSA-N 2 1 357.483 3.392 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000539852493 504718157 /nfs/dbraw/zinc/71/81/57/504718157.db2.gz RZKDWMHFHWXFTR-INIZCTEOSA-N 2 1 370.921 3.290 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)c(OC)c(OC)c2)C1 ZINC000539852493 504718164 /nfs/dbraw/zinc/71/81/64/504718164.db2.gz RZKDWMHFHWXFTR-INIZCTEOSA-N 2 1 370.921 3.290 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCOC3(C)C)cc2)C[C@H]1C ZINC000556117412 504799736 /nfs/dbraw/zinc/79/97/36/504799736.db2.gz BKRNXZQDKFJEHR-UEXGIBASSA-N 2 1 360.542 3.353 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000559261216 504812946 /nfs/dbraw/zinc/81/29/46/504812946.db2.gz LBINZIZOJDNPIU-ICSRJNTNSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CCC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000556239012 504826183 /nfs/dbraw/zinc/82/61/83/504826183.db2.gz ATPPUWWIMWHZJR-HRAATJIYSA-N 2 1 373.516 3.342 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177553 504846129 /nfs/dbraw/zinc/84/61/29/504846129.db2.gz HARPZSBQVMBYIY-FPOVZHCZSA-N 2 1 369.484 3.067 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000556387863 504861413 /nfs/dbraw/zinc/86/14/13/504861413.db2.gz VQGHWWZZWPRIAP-CQSZACIVSA-N 2 1 358.267 3.113 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000565366314 504866276 /nfs/dbraw/zinc/86/62/76/504866276.db2.gz ARXIQYQRZYBOOC-PMXSJFBMSA-N 2 1 361.574 3.410 20 0 FGADMP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NCc1c[nH+]c2n1CCCC2 ZINC000556443798 504875769 /nfs/dbraw/zinc/87/57/69/504875769.db2.gz CVRQFKOFWLFUQH-UHFFFAOYSA-N 2 1 373.545 3.065 20 0 FGADMP Cc1c2cccc(Cl)c2sc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000549734426 504883921 /nfs/dbraw/zinc/88/39/21/504883921.db2.gz ZNNGEMHNUSEINJ-UHFFFAOYSA-N 2 1 365.930 3.117 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000549749751 504887213 /nfs/dbraw/zinc/88/72/13/504887213.db2.gz HRXNNEVVFXJWMP-NRFANRHFSA-N 2 1 357.542 3.374 20 0 FGADMP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)c1 ZINC000549774781 504894416 /nfs/dbraw/zinc/89/44/16/504894416.db2.gz NEABJQALKDALKC-NRFANRHFSA-N 2 1 373.541 3.040 20 0 FGADMP COc1cccc([C@@H]2[C@H](c3ccccc3)CC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481332 504900915 /nfs/dbraw/zinc/90/09/15/504900915.db2.gz UKRWKQQSIWLPHR-XZOQPEGZSA-N 2 1 365.521 3.131 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000562745739 504930972 /nfs/dbraw/zinc/93/09/72/504930972.db2.gz MHACOSKOKRYZAM-QGZVFWFLSA-N 2 1 355.486 3.257 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000549938690 504940766 /nfs/dbraw/zinc/94/07/66/504940766.db2.gz FCBXQWINIHGROX-YHYVQYDKSA-N 2 1 356.485 3.229 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553679005 504980489 /nfs/dbraw/zinc/98/04/89/504980489.db2.gz QXWSWTWJKNWGIK-QFIPXVFZSA-N 2 1 365.477 3.361 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553679005 504980495 /nfs/dbraw/zinc/98/04/95/504980495.db2.gz QXWSWTWJKNWGIK-QFIPXVFZSA-N 2 1 365.477 3.361 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000556837674 504990835 /nfs/dbraw/zinc/99/08/35/504990835.db2.gz OQCMTBXKEVZHBA-CQSZACIVSA-N 2 1 352.404 3.323 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000556837674 504990838 /nfs/dbraw/zinc/99/08/38/504990838.db2.gz OQCMTBXKEVZHBA-CQSZACIVSA-N 2 1 352.404 3.323 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556857730 504997004 /nfs/dbraw/zinc/99/70/04/504997004.db2.gz GFILJYBNRBUNOA-QGZVFWFLSA-N 2 1 353.501 3.293 20 0 FGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)n1 ZINC000556858602 504997373 /nfs/dbraw/zinc/99/73/73/504997373.db2.gz NVNFLMGDZKTQHL-BDTNDASRSA-N 2 1 352.526 3.494 20 0 FGADMP Fc1cccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn2)c1 ZINC000562959133 505001231 /nfs/dbraw/zinc/00/12/31/505001231.db2.gz VGIFJPIHLWLILN-XUVXKRRUSA-N 2 1 371.456 3.260 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877595 505003500 /nfs/dbraw/zinc/00/35/00/505003500.db2.gz HNROKGJRKKYUAU-UYAOXDASSA-N 2 1 361.493 3.440 20 0 FGADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC1 ZINC000562984627 505009440 /nfs/dbraw/zinc/00/94/40/505009440.db2.gz HLTRGQKHAADNLN-IBGZPJMESA-N 2 1 370.493 3.293 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000562988517 505012137 /nfs/dbraw/zinc/01/21/37/505012137.db2.gz PDQHHJWFAINPHD-ZWKOTPCHSA-N 2 1 359.514 3.152 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(I)c3)CC[C@H]21 ZINC000560258684 505032186 /nfs/dbraw/zinc/03/21/86/505032186.db2.gz SCRIMTQCDGNHMA-GOEBONIOSA-N 2 1 370.278 3.207 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000550665291 505082415 /nfs/dbraw/zinc/08/24/15/505082415.db2.gz HDTCCWUGZRNDPK-YLJYHZDGSA-N 2 1 371.912 3.495 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@@H]1c1ccccc1 ZINC000550665291 505082418 /nfs/dbraw/zinc/08/24/18/505082418.db2.gz HDTCCWUGZRNDPK-YLJYHZDGSA-N 2 1 371.912 3.495 20 0 FGADMP Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291674 505104013 /nfs/dbraw/zinc/10/40/13/505104013.db2.gz GPBGKEXAAVFBIE-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291674 505104019 /nfs/dbraw/zinc/10/40/19/505104019.db2.gz GPBGKEXAAVFBIE-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557291674 505104021 /nfs/dbraw/zinc/10/40/21/505104021.db2.gz GPBGKEXAAVFBIE-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557291674 505104025 /nfs/dbraw/zinc/10/40/25/505104025.db2.gz GPBGKEXAAVFBIE-IEBWSBKVSA-N 2 1 371.550 3.268 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@H]2CCC[C@@H]21 ZINC000560544441 505120510 /nfs/dbraw/zinc/12/05/10/505120510.db2.gz QRHPUPZTDHOHCM-YSHGAJCASA-N 2 1 370.459 3.319 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000560544125 505120911 /nfs/dbraw/zinc/12/09/11/505120911.db2.gz FFGWZPVBLHKWSR-FDFHNCONSA-N 2 1 358.526 3.345 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000550893140 505121392 /nfs/dbraw/zinc/12/13/92/505121392.db2.gz VNNKNQNZPMCXQI-HRTMPFAESA-N 2 1 368.521 3.459 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000563375815 505126096 /nfs/dbraw/zinc/12/60/96/505126096.db2.gz XYGLQNLQIHKSFU-OAQYLSRUSA-N 2 1 369.553 3.279 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000563397938 505131591 /nfs/dbraw/zinc/13/15/91/505131591.db2.gz NHXKBRPHSNUVPV-KBXCAEBGSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@H+](C)[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397938 505131594 /nfs/dbraw/zinc/13/15/94/505131594.db2.gz NHXKBRPHSNUVPV-KBXCAEBGSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397938 505131600 /nfs/dbraw/zinc/13/16/00/505131600.db2.gz NHXKBRPHSNUVPV-KBXCAEBGSA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000560582399 505133089 /nfs/dbraw/zinc/13/30/89/505133089.db2.gz BTMUZWZXAHJWAJ-MSOLQXFVSA-N 2 1 371.525 3.305 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000560582399 505133091 /nfs/dbraw/zinc/13/30/91/505133091.db2.gz BTMUZWZXAHJWAJ-MSOLQXFVSA-N 2 1 371.525 3.305 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc3c1C[N@H+](CC(C)C)C3)CC2 ZINC000566332382 505146206 /nfs/dbraw/zinc/14/62/06/505146206.db2.gz GDCPXORVRRONHU-QGZVFWFLSA-N 2 1 352.482 3.364 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cccc3c1C[N@@H+](CC(C)C)C3)CC2 ZINC000566332382 505146211 /nfs/dbraw/zinc/14/62/11/505146211.db2.gz GDCPXORVRRONHU-QGZVFWFLSA-N 2 1 352.482 3.364 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000563459131 505146495 /nfs/dbraw/zinc/14/64/95/505146495.db2.gz NNCUADVBYHVSCT-UHFFFAOYSA-N 2 1 369.553 3.329 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)C[C@@H]1c1ccccc1 ZINC000551051165 505147890 /nfs/dbraw/zinc/14/78/90/505147890.db2.gz OGMQQFCIIOPOSW-SXWKCWPCSA-N 2 1 363.505 3.496 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)C[C@@H]1c1ccccc1 ZINC000551051165 505147893 /nfs/dbraw/zinc/14/78/93/505147893.db2.gz OGMQQFCIIOPOSW-SXWKCWPCSA-N 2 1 363.505 3.496 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000551201574 505176472 /nfs/dbraw/zinc/17/64/72/505176472.db2.gz VYMBOHULTWBKRS-HBMCJLEFSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)N3CCCC3)C2)C[C@H]1c1ccccc1 ZINC000551201574 505176477 /nfs/dbraw/zinc/17/64/77/505176477.db2.gz VYMBOHULTWBKRS-HBMCJLEFSA-N 2 1 370.541 3.092 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(SC)c(OC)c1 ZINC000563751454 505228484 /nfs/dbraw/zinc/22/84/84/505228484.db2.gz CJJQPCGHOPHDKA-GOSISDBHSA-N 2 1 365.587 3.265 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@@H](C)[C@@H]3C)CC2)CC1 ZINC000566747233 505262821 /nfs/dbraw/zinc/26/28/21/505262821.db2.gz FBMZBKCKEDKKMP-HBFSDRIKSA-N 2 1 363.590 3.371 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc2ccccc21 ZINC000566797104 505274892 /nfs/dbraw/zinc/27/48/92/505274892.db2.gz VUXPNEJCZMGGNO-IHPCNDPISA-N 2 1 365.521 3.339 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014073 505285793 /nfs/dbraw/zinc/28/57/93/505285793.db2.gz VBYNSCQHFRCXBW-BBTUJRGHSA-N 2 1 355.526 3.085 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccc(OC)cc1 ZINC000564098121 505325541 /nfs/dbraw/zinc/32/55/41/505325541.db2.gz GHXRNMSLWVLGGZ-UHFFFAOYSA-N 2 1 373.541 3.244 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000567036894 505345040 /nfs/dbraw/zinc/34/50/40/505345040.db2.gz LDCMDMIJBQHHOX-AWEZNQCLSA-N 2 1 372.456 3.168 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(OC)c1OCC(F)F ZINC000567036894 505345046 /nfs/dbraw/zinc/34/50/46/505345046.db2.gz LDCMDMIJBQHHOX-AWEZNQCLSA-N 2 1 372.456 3.168 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000561459957 505351538 /nfs/dbraw/zinc/35/15/38/505351538.db2.gz TURUHXKOBSTQHY-HXUWFJFHSA-N 2 1 357.498 3.253 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000561459957 505351541 /nfs/dbraw/zinc/35/15/41/505351541.db2.gz TURUHXKOBSTQHY-HXUWFJFHSA-N 2 1 357.498 3.253 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000561459957 505351544 /nfs/dbraw/zinc/35/15/44/505351544.db2.gz TURUHXKOBSTQHY-HXUWFJFHSA-N 2 1 357.498 3.253 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000555148158 505364081 /nfs/dbraw/zinc/36/40/81/505364081.db2.gz IKJZPPMTXQEDCY-GGPKGHCWSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000555148158 505364085 /nfs/dbraw/zinc/36/40/85/505364085.db2.gz IKJZPPMTXQEDCY-GGPKGHCWSA-N 2 1 360.546 3.242 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000555148158 505364091 /nfs/dbraw/zinc/36/40/91/505364091.db2.gz IKJZPPMTXQEDCY-GGPKGHCWSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000551988422 505364199 /nfs/dbraw/zinc/36/41/99/505364199.db2.gz ZUFGOHXYSVEQMN-CRAIPNDOSA-N 2 1 368.481 3.152 20 0 FGADMP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000555171964 505370260 /nfs/dbraw/zinc/37/02/60/505370260.db2.gz UBCAMIBCMOXDAT-KRWDZBQOSA-N 2 1 362.518 3.063 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000555171964 505370265 /nfs/dbraw/zinc/37/02/65/505370265.db2.gz UBCAMIBCMOXDAT-KRWDZBQOSA-N 2 1 362.518 3.063 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000558415960 505382677 /nfs/dbraw/zinc/38/26/77/505382677.db2.gz FSYVQRXQMQACKM-BHDDXSALSA-N 2 1 364.489 3.473 20 0 FGADMP CC(C)(C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000564324943 505384582 /nfs/dbraw/zinc/38/45/82/505384582.db2.gz MNOUPSKQTVFOBR-SFTDATJTSA-N 2 1 365.521 3.493 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000561591153 505385447 /nfs/dbraw/zinc/38/54/47/505385447.db2.gz PWFDUTMMUKRAFM-WIYYLYMNSA-N 2 1 372.557 3.261 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447243 505392605 /nfs/dbraw/zinc/39/26/05/505392605.db2.gz JLMVCWWMMOUGPK-NQIIRXRSSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206538 505394170 /nfs/dbraw/zinc/39/41/70/505394170.db2.gz OHFQOXMKFDYCAN-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567206538 505394173 /nfs/dbraw/zinc/39/41/73/505394173.db2.gz OHFQOXMKFDYCAN-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567206538 505394175 /nfs/dbraw/zinc/39/41/75/505394175.db2.gz OHFQOXMKFDYCAN-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284058 505418170 /nfs/dbraw/zinc/41/81/70/505418170.db2.gz AMBHTAZMRQERCA-SFTDATJTSA-N 2 1 351.494 3.118 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@H]1c1ccccc1 ZINC000567284058 505418173 /nfs/dbraw/zinc/41/81/73/505418173.db2.gz AMBHTAZMRQERCA-SFTDATJTSA-N 2 1 351.494 3.118 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000558601240 505435417 /nfs/dbraw/zinc/43/54/17/505435417.db2.gz DAAZPJDKKRATGE-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cnn(C2CCCC2)c1 ZINC000558621105 505442257 /nfs/dbraw/zinc/44/22/57/505442257.db2.gz IPFFJVQUSLMRME-DQLDELGASA-N 2 1 360.546 3.417 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452941 505468131 /nfs/dbraw/zinc/46/81/31/505468131.db2.gz BCTCMNVWFCMWDC-KKSFZXQISA-N 2 1 364.493 3.322 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555598408 505469112 /nfs/dbraw/zinc/46/91/12/505469112.db2.gz SLEMGQSMDIKFSO-FUHIMQAGSA-N 2 1 361.555 3.218 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000555598436 505469147 /nfs/dbraw/zinc/46/91/47/505469147.db2.gz UARKHYRBWWTCJB-SVMVAKDDSA-N 2 1 357.542 3.232 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000564658519 505485487 /nfs/dbraw/zinc/48/54/87/505485487.db2.gz JXAVKHOGUGWQMP-GHTZIAJQSA-N 2 1 357.542 3.230 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040311 505498791 /nfs/dbraw/zinc/49/87/91/505498791.db2.gz ZBQGHISZNVLIAM-ZBFHGGJFSA-N 2 1 364.452 3.110 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000564764608 505512941 /nfs/dbraw/zinc/51/29/41/505512941.db2.gz PXNUADLYIXFGPH-QUCCMNQESA-N 2 1 360.546 3.243 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000564793382 505522240 /nfs/dbraw/zinc/52/22/40/505522240.db2.gz GEIRESNIVJEHBA-YLJYHZDGSA-N 2 1 360.542 3.106 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c2ccccc21 ZINC000564825633 505530578 /nfs/dbraw/zinc/53/05/78/505530578.db2.gz YYQNUURBNUOVAS-HKBOAZHASA-N 2 1 371.912 3.448 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)c1 ZINC000564833251 505532943 /nfs/dbraw/zinc/53/29/43/505532943.db2.gz YIIIZIBHSHUCLC-QGZVFWFLSA-N 2 1 370.497 3.229 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000567688607 505537687 /nfs/dbraw/zinc/53/76/87/505537687.db2.gz USVCMMURNLCHKO-IAGOWNOFSA-N 2 1 354.922 3.037 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CC2Cc3ccccc3C2)CC1)Cc1ccccc1 ZINC000562207095 505540173 /nfs/dbraw/zinc/54/01/73/505540173.db2.gz UKPUQFCJLYUBRT-UHFFFAOYSA-N 2 1 363.549 3.151 20 0 FGADMP CN(C)c1ncc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213566 505541704 /nfs/dbraw/zinc/54/17/04/505541704.db2.gz HOVOIRVPUSGLLP-MSOLQXFVSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213566 505541705 /nfs/dbraw/zinc/54/17/05/505541705.db2.gz HOVOIRVPUSGLLP-MSOLQXFVSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213566 505541706 /nfs/dbraw/zinc/54/17/06/505541706.db2.gz HOVOIRVPUSGLLP-MSOLQXFVSA-N 2 1 356.539 3.163 20 0 FGADMP CN(C)c1ncc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)s1 ZINC000562213566 505541708 /nfs/dbraw/zinc/54/17/08/505541708.db2.gz HOVOIRVPUSGLLP-MSOLQXFVSA-N 2 1 356.539 3.163 20 0 FGADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000608056609 506398065 /nfs/dbraw/zinc/39/80/65/506398065.db2.gz NVEJXEXHNNQQCV-QMMLZNLJSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320474 506410835 /nfs/dbraw/zinc/41/08/35/506410835.db2.gz ZPKGWXQMDBTIPS-YJBOKZPZSA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000599320474 506410840 /nfs/dbraw/zinc/41/08/40/506410840.db2.gz ZPKGWXQMDBTIPS-YJBOKZPZSA-N 2 1 351.922 3.179 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1OC(F)F ZINC000603517314 506539977 /nfs/dbraw/zinc/53/99/77/506539977.db2.gz OLYGXXOAYYBKTI-MRXNPFEDSA-N 2 1 370.440 3.030 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630954 506540989 /nfs/dbraw/zinc/54/09/89/506540989.db2.gz LEUZGKVCZBGPEB-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000599630954 506540994 /nfs/dbraw/zinc/54/09/94/506540994.db2.gz LEUZGKVCZBGPEB-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000599630954 506540996 /nfs/dbraw/zinc/54/09/96/506540996.db2.gz LEUZGKVCZBGPEB-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)Nc2cccc3c2CN(c2ccccn2)C3)C1 ZINC000583272689 506689363 /nfs/dbraw/zinc/68/93/63/506689363.db2.gz SKHDYAGIJUHAAE-UHFFFAOYSA-N 2 1 350.466 3.272 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282330 506694744 /nfs/dbraw/zinc/69/47/44/506694744.db2.gz WRYMIYYUQYOJRH-YZGWKJHDSA-N 2 1 368.500 3.442 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282330 506694747 /nfs/dbraw/zinc/69/47/47/506694747.db2.gz WRYMIYYUQYOJRH-YZGWKJHDSA-N 2 1 368.500 3.442 20 0 FGADMP CC1CC[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000604081390 506707811 /nfs/dbraw/zinc/70/78/11/506707811.db2.gz QYYQHZWSIMTJAF-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384532 506750624 /nfs/dbraw/zinc/75/06/24/506750624.db2.gz WPRYTYJRJHSXCJ-CQSZACIVSA-N 2 1 350.450 3.389 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384532 506750619 /nfs/dbraw/zinc/75/06/19/506750619.db2.gz WPRYTYJRJHSXCJ-CQSZACIVSA-N 2 1 350.450 3.389 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOCC(F)(F)F)C2)s1 ZINC000583384532 506750621 /nfs/dbraw/zinc/75/06/21/506750621.db2.gz WPRYTYJRJHSXCJ-CQSZACIVSA-N 2 1 350.450 3.389 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2o1 ZINC000593730145 506752594 /nfs/dbraw/zinc/75/25/94/506752594.db2.gz KVQLZCCGLNVTDN-LMMKCTJWSA-N 2 1 372.465 3.080 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccccc1OC(F)F ZINC000583404500 506760124 /nfs/dbraw/zinc/76/01/24/506760124.db2.gz XSJVXZJVYAQTCE-AWEZNQCLSA-N 2 1 365.424 3.474 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000612847168 506778417 /nfs/dbraw/zinc/77/84/17/506778417.db2.gz GKWYXVKVKYPYAM-NRFANRHFSA-N 2 1 374.573 3.189 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000600130572 506793862 /nfs/dbraw/zinc/79/38/62/506793862.db2.gz PSXJZEOXSMSENF-UHFFFAOYSA-N 2 1 355.482 3.388 20 0 FGADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565151 506852000 /nfs/dbraw/zinc/85/20/00/506852000.db2.gz SJEAYWKSAJPRDV-ZYOFANERSA-N 2 1 369.553 3.063 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000590786558 506955041 /nfs/dbraw/zinc/95/50/41/506955041.db2.gz FLRCNLBESBLTKX-UHFFFAOYSA-N 2 1 359.558 3.260 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N(C)CCC[NH+](C)C)c1ccc(Cl)cc1 ZINC000583772022 506964568 /nfs/dbraw/zinc/96/45/68/506964568.db2.gz KEKXBSJFGVLMHR-SFHVURJKSA-N 2 1 368.953 3.316 20 0 FGADMP CC[NH+](CC)CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000591096087 507112866 /nfs/dbraw/zinc/11/28/66/507112866.db2.gz PDNAOEKNLIYFRR-GOSISDBHSA-N 2 1 361.530 3.011 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000613493173 507117447 /nfs/dbraw/zinc/11/74/47/507117447.db2.gz YGJAFGUAAGSOPF-QWFCFKBJSA-N 2 1 351.579 3.371 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000600859238 507149993 /nfs/dbraw/zinc/14/99/93/507149993.db2.gz CPIUJQFKSIAPFH-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000600859238 507150000 /nfs/dbraw/zinc/15/00/00/507150000.db2.gz CPIUJQFKSIAPFH-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP O=C(CCN[C@@H]1CC[N@H+]2CCCC[C@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167502 507191315 /nfs/dbraw/zinc/19/13/15/507191315.db2.gz OQTFAGJXRWMFMX-HZPDHXFCSA-N 2 1 355.404 3.250 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167502 507191318 /nfs/dbraw/zinc/19/13/18/507191318.db2.gz OQTFAGJXRWMFMX-HZPDHXFCSA-N 2 1 355.404 3.250 20 0 FGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000584188202 507201087 /nfs/dbraw/zinc/20/10/87/507201087.db2.gz SKUJOICQCSJSII-ZBKKKRSOSA-N 2 1 362.583 3.424 20 0 FGADMP CCOC(=O)CCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000591473379 507262839 /nfs/dbraw/zinc/26/28/39/507262839.db2.gz LHWCUVSUTPNJGO-UHFFFAOYSA-N 2 1 374.525 3.074 20 0 FGADMP CCOC(=O)CC[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000591473428 507264781 /nfs/dbraw/zinc/26/47/81/507264781.db2.gz UJEZFDDLYTXJCC-LJQANCHMSA-N 2 1 374.525 3.074 20 0 FGADMP CCOC(=O)CC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000591473428 507264789 /nfs/dbraw/zinc/26/47/89/507264789.db2.gz UJEZFDDLYTXJCC-LJQANCHMSA-N 2 1 374.525 3.074 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000601285230 507321960 /nfs/dbraw/zinc/32/19/60/507321960.db2.gz GRSQNMXXNDTXIW-NHCUHLMSSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CNC(=O)NCC[N@@H+](C)C1CCCCC1)[NH+](C)Cc1ccccc1 ZINC000601296287 507326219 /nfs/dbraw/zinc/32/62/19/507326219.db2.gz IZQZKHYJTSBMRE-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCC[NH+](C)C1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000601296287 507326223 /nfs/dbraw/zinc/32/62/23/507326223.db2.gz IZQZKHYJTSBMRE-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCC[NH+](C)C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000601296287 507326227 /nfs/dbraw/zinc/32/62/27/507326227.db2.gz IZQZKHYJTSBMRE-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP C(=C/C[N@@H+]1CCOc2ccccc2C1)\CN1CCOc2ccccc2C1 ZINC000614026749 507337722 /nfs/dbraw/zinc/33/77/22/507337722.db2.gz ZKGUADRMJCHTKA-AATRIKPKSA-N 2 1 350.462 3.332 20 0 FGADMP C(=C/C[N@H+]1CCOc2ccccc2C1)\CN1CCOc2ccccc2C1 ZINC000614026749 507337730 /nfs/dbraw/zinc/33/77/30/507337730.db2.gz ZKGUADRMJCHTKA-AATRIKPKSA-N 2 1 350.462 3.332 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601341167 507339069 /nfs/dbraw/zinc/33/90/69/507339069.db2.gz KPJLVBGZPWIEHO-QZTJIDSGSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](OC[C@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464670 507359792 /nfs/dbraw/zinc/35/97/92/507359792.db2.gz CSXBGSNNFFSPQQ-FRQCXROJSA-N 2 1 354.922 3.100 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000595059572 507372111 /nfs/dbraw/zinc/37/21/11/507372111.db2.gz IXEWIAVAXZCOMG-KOMIUDOXSA-N 2 1 360.567 3.461 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000595059572 507372118 /nfs/dbraw/zinc/37/21/18/507372118.db2.gz IXEWIAVAXZCOMG-KOMIUDOXSA-N 2 1 360.567 3.461 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000584526687 507394114 /nfs/dbraw/zinc/39/41/14/507394114.db2.gz DHOBCZCGQVTPLJ-APWZRJJASA-N 2 1 371.550 3.352 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000584526687 507394122 /nfs/dbraw/zinc/39/41/22/507394122.db2.gz DHOBCZCGQVTPLJ-APWZRJJASA-N 2 1 371.550 3.352 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CC3CC3)C2)CC1 ZINC000584543251 507403621 /nfs/dbraw/zinc/40/36/21/507403621.db2.gz BTHJPLIPDXFAHH-HXUWFJFHSA-N 2 1 369.553 3.198 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536112 507438559 /nfs/dbraw/zinc/43/85/59/507438559.db2.gz SGCDBEYYJFCLMY-RBUKOAKNSA-N 2 1 363.933 3.420 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@@H]21 ZINC000584720328 507471203 /nfs/dbraw/zinc/47/12/03/507471203.db2.gz GBDPWMDOBGAFSX-QHAWAJNXSA-N 2 1 363.505 3.275 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@@H]21 ZINC000584720328 507471210 /nfs/dbraw/zinc/47/12/10/507471210.db2.gz GBDPWMDOBGAFSX-QHAWAJNXSA-N 2 1 363.505 3.275 20 0 FGADMP CCOc1ccc(CN(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cc1F ZINC000584865921 507548309 /nfs/dbraw/zinc/54/83/09/507548309.db2.gz LLQWDLCTWSQFCD-GOSISDBHSA-N 2 1 351.510 3.072 20 0 FGADMP CC[C@@H](Cc1ccccc1)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000602127393 507600952 /nfs/dbraw/zinc/60/09/52/507600952.db2.gz NBAKWDGGDUOPJC-LEWJYISDSA-N 2 1 359.558 3.130 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426307 507653622 /nfs/dbraw/zinc/65/36/22/507653622.db2.gz SDUMHOMJNMJADU-WBVHZDCISA-N 2 1 372.465 3.192 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592426307 507653623 /nfs/dbraw/zinc/65/36/23/507653623.db2.gz SDUMHOMJNMJADU-WBVHZDCISA-N 2 1 372.465 3.192 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(OC)c1 ZINC000607279466 507675170 /nfs/dbraw/zinc/67/51/70/507675170.db2.gz XSGLFYHSSYBGTG-FUHIMQAGSA-N 2 1 361.530 3.067 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)on1 ZINC000602514743 507733217 /nfs/dbraw/zinc/73/32/17/507733217.db2.gz QCIQGYXWPUAPGW-HZPDHXFCSA-N 2 1 371.481 3.229 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc2o1 ZINC000595901494 507733732 /nfs/dbraw/zinc/73/37/32/507733732.db2.gz XGAVAWMAIRMKGT-KRWDZBQOSA-N 2 1 356.466 3.431 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000602515935 507735064 /nfs/dbraw/zinc/73/50/64/507735064.db2.gz FBIJHPZBOWLFAW-QWRGUYRKSA-N 2 1 362.280 3.069 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000602515935 507735067 /nfs/dbraw/zinc/73/50/67/507735067.db2.gz FBIJHPZBOWLFAW-QWRGUYRKSA-N 2 1 362.280 3.069 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000595907224 507737430 /nfs/dbraw/zinc/73/74/30/507737430.db2.gz TUNZJACOYDHQOA-LJQANCHMSA-N 2 1 362.514 3.185 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC(C)(C)C)cc2)CCO1 ZINC000595907224 507737433 /nfs/dbraw/zinc/73/74/33/507737433.db2.gz TUNZJACOYDHQOA-LJQANCHMSA-N 2 1 362.514 3.185 20 0 FGADMP Cc1cc(NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000501295813 516050878 /nfs/dbraw/zinc/05/08/78/516050878.db2.gz ABVWIINEECJAHR-UHFFFAOYSA-N 2 1 359.905 3.371 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000602514303 567989730 /nfs/dbraw/zinc/98/97/30/567989730.db2.gz JEBYDJAJSAHGSL-HNNXBMFYSA-N 2 1 357.454 3.125 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)on1 ZINC000602514303 567989731 /nfs/dbraw/zinc/98/97/31/567989731.db2.gz JEBYDJAJSAHGSL-HNNXBMFYSA-N 2 1 357.454 3.125 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC[C@H]1[NH3+] ZINC000669125149 568086028 /nfs/dbraw/zinc/08/60/28/568086028.db2.gz OSIGYYJIDVMQRW-WAOWUJCRSA-N 2 1 372.557 3.187 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000821623123 599448031 /nfs/dbraw/zinc/44/80/31/599448031.db2.gz DFYVPFOBBRAPPZ-AEFFLSMTSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@H]1c1cccs1 ZINC000821623123 599448033 /nfs/dbraw/zinc/44/80/33/599448033.db2.gz DFYVPFOBBRAPPZ-AEFFLSMTSA-N 2 1 368.510 3.101 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822478474 606657635 /nfs/dbraw/zinc/65/76/35/606657635.db2.gz SHWGBVCJHWESGA-AWEZNQCLSA-N 2 1 359.437 3.212 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000822478475 606657684 /nfs/dbraw/zinc/65/76/84/606657684.db2.gz SHWGBVCJHWESGA-CQSZACIVSA-N 2 1 359.437 3.212 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826330761 608448135 /nfs/dbraw/zinc/44/81/35/608448135.db2.gz HIQAEZKECQRMFW-UHFFFAOYSA-N 2 1 353.474 3.062 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000826330761 608448136 /nfs/dbraw/zinc/44/81/36/608448136.db2.gz HIQAEZKECQRMFW-UHFFFAOYSA-N 2 1 353.474 3.062 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261871 608524416 /nfs/dbraw/zinc/52/44/16/608524416.db2.gz SNQSQFNPCKPVJM-JXFKEZNVSA-N 2 1 368.529 3.202 20 0 FGADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1SC ZINC000069160113 695947818 /nfs/dbraw/zinc/94/78/18/695947818.db2.gz CILXXEBAWXOXQO-IYBDPMFKSA-N 2 1 352.544 3.396 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(SC(F)(F)F)cc2)CC1 ZINC000105476713 700501270 /nfs/dbraw/zinc/50/12/70/700501270.db2.gz VTVWJCJKIRBOPS-UHFFFAOYSA-N 2 1 361.477 3.416 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000121346994 700670486 /nfs/dbraw/zinc/67/04/86/700670486.db2.gz SHOWVJQNBNJLTP-IYBDPMFKSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000121346994 700670489 /nfs/dbraw/zinc/67/04/89/700670489.db2.gz SHOWVJQNBNJLTP-IYBDPMFKSA-N 2 1 350.507 3.301 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccnc(Cl)c1 ZINC000126711261 700751730 /nfs/dbraw/zinc/75/17/30/700751730.db2.gz ZMMFJFGZJOKVCV-INIZCTEOSA-N 2 1 358.917 3.333 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000150830642 704902808 /nfs/dbraw/zinc/90/28/08/704902808.db2.gz KCTSHKYRVJFIQF-UHFFFAOYSA-N 2 1 350.507 3.208 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000172831099 705431082 /nfs/dbraw/zinc/43/10/82/705431082.db2.gz GBXKDZWRSGZRPS-ROUUACIJSA-N 2 1 351.535 3.194 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000174206639 705491242 /nfs/dbraw/zinc/49/12/42/705491242.db2.gz SLMIPTIGXPZYNJ-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000180626474 705750725 /nfs/dbraw/zinc/75/07/25/705750725.db2.gz YOGUSUOGQRQUAQ-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCCC1 ZINC000193390864 712889356 /nfs/dbraw/zinc/88/93/56/712889356.db2.gz VGLOXKFBUGXBMZ-KURKYZTESA-N 2 1 351.535 3.286 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000245901372 713613248 /nfs/dbraw/zinc/61/32/48/713613248.db2.gz DRAMCEJEVKDIDK-BFYDXBDKSA-N 2 1 350.507 3.063 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000248391319 713648461 /nfs/dbraw/zinc/64/84/61/713648461.db2.gz UUICNJRUJVBGEF-ROUUACIJSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000305892730 713794105 /nfs/dbraw/zinc/79/41/05/713794105.db2.gz LJBAZHTVJXLLAH-CSNJMZFVSA-N 2 1 353.551 3.388 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000385286398 713983184 /nfs/dbraw/zinc/98/31/84/713983184.db2.gz MYJGIUSOTSWLGJ-MSOLQXFVSA-N 2 1 351.535 3.429 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000391826790 713989643 /nfs/dbraw/zinc/98/96/43/713989643.db2.gz OVJQUKNMZZHNGC-SJCJKPOMSA-N 2 1 356.297 3.383 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000572992400 714448915 /nfs/dbraw/zinc/44/89/15/714448915.db2.gz JFGRTNDOSXVUNS-NVXWUHKLSA-N 2 1 358.448 3.319 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000643209541 718018187 /nfs/dbraw/zinc/01/81/87/718018187.db2.gz SHZGUACEDXBRRP-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397218 715327052 /nfs/dbraw/zinc/32/70/52/715327052.db2.gz YMIRBMSNOZWDMS-SJORKVTESA-N 2 1 363.571 3.264 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397218 715327061 /nfs/dbraw/zinc/32/70/61/715327061.db2.gz YMIRBMSNOZWDMS-SJORKVTESA-N 2 1 363.571 3.264 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccsc2Br)C[C@H](C)O1 ZINC000623424953 715334074 /nfs/dbraw/zinc/33/40/74/715334074.db2.gz LZQGFEHMGVMMLF-BETUJISGSA-N 2 1 361.349 3.490 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)CC1(C)C ZINC000623507698 715350537 /nfs/dbraw/zinc/35/05/37/715350537.db2.gz WNQIANSFEADJIK-WBVHZDCISA-N 2 1 369.347 3.063 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@H]1CCCc2scnc21 ZINC000623957471 715439949 /nfs/dbraw/zinc/43/99/49/715439949.db2.gz KQQNCTBECZBVPW-MSOLQXFVSA-N 2 1 357.523 3.267 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255877 715500663 /nfs/dbraw/zinc/50/06/63/715500663.db2.gz WNLBGFKUWDSSGZ-QYZOEREBSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000624255877 715500670 /nfs/dbraw/zinc/50/06/70/715500670.db2.gz WNLBGFKUWDSSGZ-QYZOEREBSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000624255877 715500675 /nfs/dbraw/zinc/50/06/75/715500675.db2.gz WNLBGFKUWDSSGZ-QYZOEREBSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255877 715500679 /nfs/dbraw/zinc/50/06/79/715500679.db2.gz WNLBGFKUWDSSGZ-QYZOEREBSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255877 715500685 /nfs/dbraw/zinc/50/06/85/715500685.db2.gz WNLBGFKUWDSSGZ-QYZOEREBSA-N 2 1 361.917 3.047 20 0 FGADMP C[C@@H]1CC(F)(F)CC[N@H+]1CC1(CN2CCC(F)(F)C[C@@H]2C)COC1 ZINC000625980209 715820692 /nfs/dbraw/zinc/82/06/92/715820692.db2.gz JBGIIYLUNFIFBE-OKILXGFUSA-N 2 1 352.416 3.242 20 0 FGADMP C[C@@H]1CC(F)(F)CC[N@@H+]1CC1(CN2CCC(F)(F)C[C@@H]2C)COC1 ZINC000625980209 715820698 /nfs/dbraw/zinc/82/06/98/715820698.db2.gz JBGIIYLUNFIFBE-OKILXGFUSA-N 2 1 352.416 3.242 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCc1cccs1 ZINC000626062622 715841499 /nfs/dbraw/zinc/84/14/99/715841499.db2.gz ZIEVSAOSJQYEJK-INIZCTEOSA-N 2 1 359.539 3.337 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3csc(C(F)(F)F)c3)CC2)CC1 ZINC000628278136 716133960 /nfs/dbraw/zinc/13/39/60/716133960.db2.gz BJNKYSPEJGKWTD-UHFFFAOYSA-N 2 1 361.477 3.226 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)C1 ZINC000628969537 716193954 /nfs/dbraw/zinc/19/39/54/716193954.db2.gz ULAFLODURHVKCH-MLGOLLRUSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+]CCOCC[NH2+][C@H](c1ccccc1)c1ccccc1Br ZINC000629529876 716303819 /nfs/dbraw/zinc/30/38/19/716303819.db2.gz PAKZCGGYRDJGJJ-GOSISDBHSA-N 2 1 363.299 3.364 20 0 FGADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)s2)cn1 ZINC000629654248 716329614 /nfs/dbraw/zinc/32/96/14/716329614.db2.gz GXHACRROBNKISG-SMDDNHRTSA-N 2 1 358.433 3.108 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)s2)cn1 ZINC000629654248 716329618 /nfs/dbraw/zinc/32/96/18/716329618.db2.gz GXHACRROBNKISG-SMDDNHRTSA-N 2 1 358.433 3.108 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](n3cncn3)C(F)(F)F)CC2)C1 ZINC000631685803 716659377 /nfs/dbraw/zinc/65/93/77/716659377.db2.gz AIJMIHIUKRFBNT-VNQPRFMTSA-N 2 1 359.440 3.014 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000635603519 717180886 /nfs/dbraw/zinc/18/08/86/717180886.db2.gz PJTLHUFEGIRQMZ-MAUKXSAKSA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000635603519 717180888 /nfs/dbraw/zinc/18/08/88/717180888.db2.gz PJTLHUFEGIRQMZ-MAUKXSAKSA-N 2 1 360.527 3.267 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000635969474 717217309 /nfs/dbraw/zinc/21/73/09/717217309.db2.gz FZAVNXSFYBHDAQ-QGZVFWFLSA-N 2 1 360.527 3.148 20 0 FGADMP COc1ccc(Br)cc1C1([NH2+]CCc2c[nH+]cn2C)CC1 ZINC000645973809 718255833 /nfs/dbraw/zinc/25/58/33/718255833.db2.gz PFFAMAPTAWBXMM-UHFFFAOYSA-N 2 1 350.260 3.013 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904232 718385640 /nfs/dbraw/zinc/38/56/40/718385640.db2.gz ZNLCQCCFVNAKDZ-DOTOQJQBSA-N 2 1 360.889 3.397 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975863 718390899 /nfs/dbraw/zinc/39/08/99/718390899.db2.gz HBJYRXWCUVRSIE-BBWFWOEESA-N 2 1 361.555 3.447 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)c(Cl)c1 ZINC000647975400 718391112 /nfs/dbraw/zinc/39/11/12/718391112.db2.gz ZVQDNPSEZJQEIL-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000648161492 718402179 /nfs/dbraw/zinc/40/21/79/718402179.db2.gz CPAKHHZFZBHXEY-CXAGYDPISA-N 2 1 355.885 3.106 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3cc(Cl)cnc3o2)C[C@H](C)O1 ZINC000648437169 718426837 /nfs/dbraw/zinc/42/68/37/718426837.db2.gz QZDTVKRGPBSIAJ-OKILXGFUSA-N 2 1 351.878 3.460 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@H](CC)C3)CC2)cs1 ZINC000648454631 718428350 /nfs/dbraw/zinc/42/83/50/718428350.db2.gz MXWWCXSKFSTIKI-SJLPKXTDSA-N 2 1 351.560 3.465 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1 ZINC000649696360 718551901 /nfs/dbraw/zinc/55/19/01/718551901.db2.gz ZUPVFPIDRLZWPY-UHFFFAOYSA-N 2 1 362.518 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707012 718717572 /nfs/dbraw/zinc/71/75/72/718717572.db2.gz WYIDOZSKZYVYJM-UXLLHSPISA-N 2 1 358.404 3.304 20 0 FGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707345 718717664 /nfs/dbraw/zinc/71/76/64/718717664.db2.gz DATKHWKSXLSXLB-SZMVWBNQSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)C1 ZINC000650707010 718717677 /nfs/dbraw/zinc/71/76/77/718717677.db2.gz WYIDOZSKZYVYJM-BFYDXBDKSA-N 2 1 358.404 3.304 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1Br ZINC000650708143 718717716 /nfs/dbraw/zinc/71/77/16/718717716.db2.gz UIKRAZRBOYEEEF-BQFCYCMXSA-N 2 1 367.331 3.476 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)C[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651220571 718784297 /nfs/dbraw/zinc/78/42/97/718784297.db2.gz MBCLTIJXZBLQQT-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000651220571 718784299 /nfs/dbraw/zinc/78/42/99/718784299.db2.gz MBCLTIJXZBLQQT-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000651220571 718784304 /nfs/dbraw/zinc/78/43/04/718784304.db2.gz MBCLTIJXZBLQQT-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347789 718934688 /nfs/dbraw/zinc/93/46/88/718934688.db2.gz LTCZYQFQHYVKST-LXTVHRRPSA-N 2 1 362.499 3.077 20 0 FGADMP Cc1c(Br)cccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652350381 718935194 /nfs/dbraw/zinc/93/51/94/718935194.db2.gz WJFFIPBUXLUOPV-BQFCYCMXSA-N 2 1 367.331 3.476 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164450404 719000742 /nfs/dbraw/zinc/00/07/42/719000742.db2.gz VQSFKBIFIFCBES-HOTGVXAUSA-N 2 1 371.554 3.235 20 0 FGADMP c1sc(-c2ccccc2)nc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683879 719325479 /nfs/dbraw/zinc/32/54/79/719325479.db2.gz WYVVWLCZARVICO-IBGZPJMESA-N 2 1 357.523 3.196 20 0 FGADMP Clc1cnc(NCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655714745 719328895 /nfs/dbraw/zinc/32/88/95/719328895.db2.gz BZJDRPCSOASFME-OAHLLOKOSA-N 2 1 373.328 3.033 20 0 FGADMP COc1ccccc1SC[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655724841 719330202 /nfs/dbraw/zinc/33/02/02/719330202.db2.gz IHZSOQWMJCUXHU-AEFFLSMTSA-N 2 1 364.555 3.266 20 0 FGADMP CSc1cc(Cl)cnc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679746 719636494 /nfs/dbraw/zinc/63/64/94/719636494.db2.gz LLQRMEVAYCGGQT-UHFFFAOYSA-N 2 1 365.934 3.129 20 0 FGADMP CSc1cc(Cl)cnc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164679746 719636498 /nfs/dbraw/zinc/63/64/98/719636498.db2.gz LLQRMEVAYCGGQT-UHFFFAOYSA-N 2 1 365.934 3.129 20 0 FGADMP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000659622767 719930011 /nfs/dbraw/zinc/93/00/11/719930011.db2.gz VFJOKSZOBNSJRV-PKOBYXMFSA-N 2 1 352.567 3.046 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659876352 719948759 /nfs/dbraw/zinc/94/87/59/719948759.db2.gz GPGPBKBEYKZDOX-IBGZPJMESA-N 2 1 351.579 3.323 20 0 FGADMP CC1(C)CC(NC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC(C)(C)[NH2+]1 ZINC000660284086 720024555 /nfs/dbraw/zinc/02/45/55/720024555.db2.gz STYLOFSRDBKKMN-HNNXBMFYSA-N 2 1 350.551 3.002 20 0 FGADMP Brc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662252792 720405431 /nfs/dbraw/zinc/40/54/31/720405431.db2.gz OXAOOBKRKAATGA-HZPDHXFCSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)C1 ZINC000662281206 720409571 /nfs/dbraw/zinc/40/95/71/720409571.db2.gz JXEMILPSURUBJX-ZBFHGGJFSA-N 2 1 358.404 3.145 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290848 720410682 /nfs/dbraw/zinc/41/06/82/720410682.db2.gz LXCYCMASSIZRBZ-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292181 720410945 /nfs/dbraw/zinc/41/09/45/720410945.db2.gz BWXJTAZBIHVCBS-NVXWUHKLSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662292181 720410948 /nfs/dbraw/zinc/41/09/48/720410948.db2.gz BWXJTAZBIHVCBS-NVXWUHKLSA-N 2 1 350.507 3.015 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294657 720411591 /nfs/dbraw/zinc/41/15/91/720411591.db2.gz DJYTYPMIIVOOSN-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298685 720412083 /nfs/dbraw/zinc/41/20/83/720412083.db2.gz WUZRWQBVFGMARQ-CRAIPNDOSA-N 2 1 363.933 3.056 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313401 720414256 /nfs/dbraw/zinc/41/42/56/720414256.db2.gz KXWCBVCRMYDHCO-IUODEOHRSA-N 2 1 356.308 3.192 20 0 FGADMP Cc1nc(C)c(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)s1 ZINC000662327280 720415926 /nfs/dbraw/zinc/41/59/26/720415926.db2.gz LZXZEMMGIOCMSX-UHFFFAOYSA-N 2 1 359.543 3.330 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1Cl ZINC000662336415 720416534 /nfs/dbraw/zinc/41/65/34/720416534.db2.gz BRSRGEGQJPGZJL-VMGRFDJRSA-N 2 1 370.324 3.245 20 0 FGADMP C[NH2+][C@H](C(=O)NC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1Cl ZINC000662393598 720424261 /nfs/dbraw/zinc/42/42/61/720424261.db2.gz HPNBTJIRBCTTNC-KRWDZBQOSA-N 2 1 370.324 3.245 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662474340 720432133 /nfs/dbraw/zinc/43/21/33/720432133.db2.gz VOUZAONEMJKQRF-ABAIWWIYSA-N 2 1 360.329 3.346 20 0 FGADMP O=C(Nc1nc(C[NH+]2CCCCCC2)cs1)c1cccc2c1C[NH2+]C2 ZINC000662525927 720438504 /nfs/dbraw/zinc/43/85/04/720438504.db2.gz ZLGQUBXHWWOMEG-UHFFFAOYSA-N 2 1 356.495 3.375 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662821566 720461208 /nfs/dbraw/zinc/46/12/08/720461208.db2.gz HNOWOLQASXMRTM-INIZCTEOSA-N 2 1 358.313 3.054 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833593 720530133 /nfs/dbraw/zinc/53/01/33/720530133.db2.gz ANQJXBQBHISILI-SVFBPWRDSA-N 2 1 365.525 3.145 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3ccc4c([nH+]3)CCC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164833593 720530143 /nfs/dbraw/zinc/53/01/43/720530143.db2.gz ANQJXBQBHISILI-SVFBPWRDSA-N 2 1 365.525 3.145 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC)[C@H]1CC[N@@H+](CC)C1 ZINC000663620731 720530707 /nfs/dbraw/zinc/53/07/07/720530707.db2.gz RLNKEVLYQLYHQL-ROUUACIJSA-N 2 1 366.575 3.257 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001164836839 720619175 /nfs/dbraw/zinc/61/91/75/720619175.db2.gz HBADMMOODWPPQS-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001164836839 720619180 /nfs/dbraw/zinc/61/91/80/720619180.db2.gz HBADMMOODWPPQS-XUVXKRRUSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)cc1C ZINC001164836834 720619469 /nfs/dbraw/zinc/61/94/69/720619469.db2.gz HBADMMOODWPPQS-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)cc1C ZINC001164836834 720619480 /nfs/dbraw/zinc/61/94/80/720619480.db2.gz HBADMMOODWPPQS-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)cc1N ZINC001164842330 720707922 /nfs/dbraw/zinc/70/79/22/720707922.db2.gz YISWPZQLVSZPJH-IBGZPJMESA-N 2 1 366.509 3.232 20 0 FGADMP Clc1ccc2cccnc2c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666978568 721008245 /nfs/dbraw/zinc/00/82/45/721008245.db2.gz RQVQBCNMVUIOSN-UHFFFAOYSA-N 2 1 358.917 3.194 20 0 FGADMP Cc1c(Br)cncc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000667501817 721117649 /nfs/dbraw/zinc/11/76/49/721117649.db2.gz MCQHVYXFOAGXLA-UHFFFAOYSA-N 2 1 352.320 3.460 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164762007 721168298 /nfs/dbraw/zinc/16/82/98/721168298.db2.gz BRGIRPAXHHKHFU-UXHICEINSA-N 2 1 361.493 3.235 20 0 FGADMP Cc1cc2ccccc2c(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]1 ZINC001164762007 721168305 /nfs/dbraw/zinc/16/83/05/721168305.db2.gz BRGIRPAXHHKHFU-UXHICEINSA-N 2 1 361.493 3.235 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586995 721314805 /nfs/dbraw/zinc/31/48/05/721314805.db2.gz IHIASNZUGCXEDV-AEFFLSMTSA-N 2 1 364.555 3.190 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000668586995 721314812 /nfs/dbraw/zinc/31/48/12/721314812.db2.gz IHIASNZUGCXEDV-AEFFLSMTSA-N 2 1 364.555 3.190 20 0 FGADMP Cc1c[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(N)c1 ZINC001164795725 721498847 /nfs/dbraw/zinc/49/88/47/721498847.db2.gz KWYGCIIMTGFJJH-UHFFFAOYSA-N 2 1 351.498 3.248 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053917 721681426 /nfs/dbraw/zinc/68/14/26/721681426.db2.gz FLGHVHPZBZKIPW-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053917 721681428 /nfs/dbraw/zinc/68/14/28/721681428.db2.gz FLGHVHPZBZKIPW-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053917 721681431 /nfs/dbraw/zinc/68/14/31/721681431.db2.gz FLGHVHPZBZKIPW-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053917 721681433 /nfs/dbraw/zinc/68/14/33/721681433.db2.gz FLGHVHPZBZKIPW-KGLIPLIRSA-N 2 1 361.313 3.007 20 0 FGADMP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000675177724 721735876 /nfs/dbraw/zinc/73/58/76/721735876.db2.gz VVMFSPUUBZRZOP-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026197 721811421 /nfs/dbraw/zinc/81/14/21/721811421.db2.gz PKHYISWOWMRXEH-YYWHXJBOSA-N 2 1 365.525 3.280 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1cccc(Br)c1 ZINC000677241223 721875913 /nfs/dbraw/zinc/87/59/13/721875913.db2.gz NUFCYBLATDCCIN-BMFZPTHFSA-N 2 1 353.304 3.433 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(C(F)(F)F)cc1 ZINC000678600164 721966718 /nfs/dbraw/zinc/96/67/18/721966718.db2.gz JMUJUELSLKRDHJ-JQHSSLGASA-N 2 1 356.432 3.073 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000682646810 722260346 /nfs/dbraw/zinc/26/03/46/722260346.db2.gz GILVWSMEKIDLMW-DLBZAZTESA-N 2 1 364.287 3.235 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000708529234 722412839 /nfs/dbraw/zinc/41/28/39/722412839.db2.gz JPFFHGDJQJFVLQ-SPUZQDLCSA-N 2 1 356.432 3.454 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486862 722413176 /nfs/dbraw/zinc/41/31/76/722413176.db2.gz NWJIFFHXSJMTOS-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP Cn1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1Cl ZINC000712433769 722414469 /nfs/dbraw/zinc/41/44/69/722414469.db2.gz VEBVIEWLYWETNR-SFHVURJKSA-N 2 1 358.917 3.465 20 0 FGADMP Cn1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1Cl ZINC000712433769 722414470 /nfs/dbraw/zinc/41/44/70/722414470.db2.gz VEBVIEWLYWETNR-SFHVURJKSA-N 2 1 358.917 3.465 20 0 FGADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000733993332 722503192 /nfs/dbraw/zinc/50/31/92/722503192.db2.gz MEVLNNPDGGFMKF-AWEZNQCLSA-N 2 1 351.376 3.072 20 0 FGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000741389886 722545413 /nfs/dbraw/zinc/54/54/13/722545413.db2.gz XDJMJMJWDBWLQC-VQIMIIECSA-N 2 1 366.933 3.060 20 0 FGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000741389886 722545414 /nfs/dbraw/zinc/54/54/14/722545414.db2.gz XDJMJMJWDBWLQC-VQIMIIECSA-N 2 1 366.933 3.060 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccccc1Cl ZINC000750735446 722779474 /nfs/dbraw/zinc/77/94/74/722779474.db2.gz XJUPPCCVMMIEOJ-IENJSVCTSA-N 2 1 363.933 3.228 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1F ZINC000751012754 722790944 /nfs/dbraw/zinc/79/09/44/722790944.db2.gz YNYRBIRSYOLEBJ-MRXNPFEDSA-N 2 1 366.550 3.179 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315216 722934456 /nfs/dbraw/zinc/93/44/56/722934456.db2.gz ODJAUIRIWVWGHV-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848065 723024390 /nfs/dbraw/zinc/02/43/90/723024390.db2.gz KDLYJTMCAOSWTA-NIKGAXFTSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848065 723024391 /nfs/dbraw/zinc/02/43/91/723024391.db2.gz KDLYJTMCAOSWTA-NIKGAXFTSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848065 723024392 /nfs/dbraw/zinc/02/43/92/723024392.db2.gz KDLYJTMCAOSWTA-NIKGAXFTSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848065 723024393 /nfs/dbraw/zinc/02/43/93/723024393.db2.gz KDLYJTMCAOSWTA-NIKGAXFTSA-N 2 1 352.881 3.461 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000764467394 723415682 /nfs/dbraw/zinc/41/56/82/723415682.db2.gz VVRROKVULSBNJF-GOEBONIOSA-N 2 1 364.946 3.436 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(Cn3c4ccccc4nc3SC(F)F)C2)C1 ZINC000793770149 723466384 /nfs/dbraw/zinc/46/63/84/723466384.db2.gz XKCUSGIBTRWALT-KRWDZBQOSA-N 2 1 352.454 3.336 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000767428819 723619072 /nfs/dbraw/zinc/61/90/72/723619072.db2.gz IWXDEJYJGOREHZ-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000767428819 723619074 /nfs/dbraw/zinc/61/90/74/723619074.db2.gz IWXDEJYJGOREHZ-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000796649179 723648490 /nfs/dbraw/zinc/64/84/90/723648490.db2.gz GYYGXUNABQCIOK-ZMSDIMECSA-N 2 1 350.507 3.205 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000769646984 723691350 /nfs/dbraw/zinc/69/13/50/723691350.db2.gz DWUPIJNOKDZGSO-HNNXBMFYSA-N 2 1 350.894 3.080 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cn2nc(Cl)c3ccccc32)C1 ZINC000769646984 723691351 /nfs/dbraw/zinc/69/13/51/723691351.db2.gz DWUPIJNOKDZGSO-HNNXBMFYSA-N 2 1 350.894 3.080 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3nc4ccccc4s3)C2)CC1 ZINC000799177619 723995402 /nfs/dbraw/zinc/99/54/02/723995402.db2.gz YQYFGGPQUNYXGC-UHFFFAOYSA-N 2 1 358.511 3.043 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3nc4ccccc4s3)C2)CC1 ZINC000799177619 723995405 /nfs/dbraw/zinc/99/54/05/723995405.db2.gz YQYFGGPQUNYXGC-UHFFFAOYSA-N 2 1 358.511 3.043 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4)C3=O)C2)CC1 ZINC000799176869 723995485 /nfs/dbraw/zinc/99/54/85/723995485.db2.gz DNYRBCICAGGKPZ-GOSISDBHSA-N 2 1 361.917 3.253 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc(F)cn2)CC1)CC(C)C ZINC000799311938 724004987 /nfs/dbraw/zinc/00/49/87/724004987.db2.gz JWWTWQHYPHKPLO-FQEVSTJZSA-N 2 1 351.510 3.334 20 0 FGADMP O[C@H](C[NH2+][C@H](c1cc(F)cc(Br)c1)C1CC1)C[NH+]1CCCC1 ZINC000775872589 724076167 /nfs/dbraw/zinc/07/61/67/724076167.db2.gz VSTBJTUMSVYDPX-SJORKVTESA-N 2 1 371.294 3.086 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000801948999 724349674 /nfs/dbraw/zinc/34/96/74/724349674.db2.gz AKGYXAIKAKBUMM-MSOLQXFVSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788525039 725070335 /nfs/dbraw/zinc/07/03/35/725070335.db2.gz AYTASEJNIOJDCF-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)[C@@H](C)C1 ZINC000806139320 725117715 /nfs/dbraw/zinc/11/77/15/725117715.db2.gz NUSOADUSPFDRNZ-XIRDDKMYSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(Cl)ccc32)[C@@H](C)C1 ZINC000806139320 725117719 /nfs/dbraw/zinc/11/77/19/725117719.db2.gz NUSOADUSPFDRNZ-XIRDDKMYSA-N 2 1 351.922 3.449 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000808718658 725214782 /nfs/dbraw/zinc/21/47/82/725214782.db2.gz AHDALYQBVXSXKL-INIZCTEOSA-N 2 1 360.889 3.238 20 0 FGADMP CCN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809639225 725255005 /nfs/dbraw/zinc/25/50/05/725255005.db2.gz JOQFYPFYHREUNY-SFHVURJKSA-N 2 1 358.555 3.301 20 0 FGADMP CCN(Cc1ncc(C[NH+](C)C)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809639225 725255006 /nfs/dbraw/zinc/25/50/06/725255006.db2.gz JOQFYPFYHREUNY-SFHVURJKSA-N 2 1 358.555 3.301 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812720102 726806579 /nfs/dbraw/zinc/80/65/79/726806579.db2.gz YSMHHPPCXGAXQY-RCCFBDPRSA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145065 727045134 /nfs/dbraw/zinc/04/51/34/727045134.db2.gz VFSNRRKNOMLHQO-MSOLQXFVSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145065 727045135 /nfs/dbraw/zinc/04/51/35/727045135.db2.gz VFSNRRKNOMLHQO-MSOLQXFVSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145065 727045136 /nfs/dbraw/zinc/04/51/36/727045136.db2.gz VFSNRRKNOMLHQO-MSOLQXFVSA-N 2 1 356.432 3.027 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539860 727173078 /nfs/dbraw/zinc/17/30/78/727173078.db2.gz WBDWFYHVKZCPBL-TWMKSMIVSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816539860 727173085 /nfs/dbraw/zinc/17/30/85/727173085.db2.gz WBDWFYHVKZCPBL-TWMKSMIVSA-N 2 1 353.551 3.198 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(SC(F)F)cc1)CC[NH2+]CC2 ZINC000818339908 727308323 /nfs/dbraw/zinc/30/83/23/727308323.db2.gz FYUBAFLMJWWVOS-CYBMUJFWSA-N 2 1 369.481 3.404 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985709 727334805 /nfs/dbraw/zinc/33/48/05/727334805.db2.gz VDBUDTRUPLHIQU-YOEHRIQHSA-N 2 1 360.420 3.329 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccccc2Br)C1 ZINC000819152582 727353103 /nfs/dbraw/zinc/35/31/03/727353103.db2.gz XFMZTLPYYUSROV-PBHICJAKSA-N 2 1 355.320 3.050 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Br)cc1 ZINC000819277464 727363566 /nfs/dbraw/zinc/36/35/66/727363566.db2.gz CANWEJXWAYBZKT-JCYILVPMSA-N 2 1 353.304 3.089 20 0 FGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882588 729227951 /nfs/dbraw/zinc/22/79/51/729227951.db2.gz KQTJZSBVYPHDQA-DLBZAZTESA-N 2 1 357.325 3.139 20 0 FGADMP C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882588 729227952 /nfs/dbraw/zinc/22/79/52/729227952.db2.gz KQTJZSBVYPHDQA-DLBZAZTESA-N 2 1 357.325 3.139 20 0 FGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882588 729227954 /nfs/dbraw/zinc/22/79/54/729227954.db2.gz KQTJZSBVYPHDQA-DLBZAZTESA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000822882588 729227958 /nfs/dbraw/zinc/22/79/58/729227958.db2.gz KQTJZSBVYPHDQA-DLBZAZTESA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000822882588 729227961 /nfs/dbraw/zinc/22/79/61/729227961.db2.gz KQTJZSBVYPHDQA-DLBZAZTESA-N 2 1 357.325 3.139 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000823671761 729297699 /nfs/dbraw/zinc/29/76/99/729297699.db2.gz VJQHFTUNFUYYJT-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccnc(Cl)c2F)cc1 ZINC000823781626 729304339 /nfs/dbraw/zinc/30/43/39/729304339.db2.gz CYKNOLRLWBRNQO-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000827950198 729437701 /nfs/dbraw/zinc/43/77/01/729437701.db2.gz QWWDEDZTCXLUQJ-QGZVFWFLSA-N 2 1 351.535 3.003 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000838504390 730125210 /nfs/dbraw/zinc/12/52/10/730125210.db2.gz YMDTUOARSRWZLG-LJQANCHMSA-N 2 1 352.567 3.157 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000841057711 730206906 /nfs/dbraw/zinc/20/69/06/730206906.db2.gz MIBRMRHLKRZBPF-CVEARBPZSA-N 2 1 350.869 3.392 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)C1 ZINC000845934734 730910471 /nfs/dbraw/zinc/91/04/71/730910471.db2.gz DJTNNDMSDKXMGF-ADKAHSJRSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=[NH2+])N3CCSCC3)cc2)C1 ZINC000849062002 731225344 /nfs/dbraw/zinc/22/53/44/731225344.db2.gz AQPNBTZYIMTGBO-CALCHBBNSA-N 2 1 360.571 3.238 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000855346237 731920497 /nfs/dbraw/zinc/92/04/97/731920497.db2.gz SQSLPZIOKOLKBQ-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cccc(Cl)c2o1 ZINC000855346237 731920498 /nfs/dbraw/zinc/92/04/98/731920498.db2.gz SQSLPZIOKOLKBQ-ZDUSSCGKSA-N 2 1 351.878 3.088 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913692 732169058 /nfs/dbraw/zinc/16/90/58/732169058.db2.gz DUNVGMFLBXCRAK-ROUUACIJSA-N 2 1 357.885 3.079 20 0 FGADMP CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491472 732220234 /nfs/dbraw/zinc/22/02/34/732220234.db2.gz IRQHZLOKVRSARK-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000859214676 732291238 /nfs/dbraw/zinc/29/12/38/732291238.db2.gz RDIWFOGHPOICAL-UHFFFAOYSA-N 2 1 359.901 3.150 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)NCc2cccc(Cl)c2)cc1 ZINC000859214676 732291241 /nfs/dbraw/zinc/29/12/41/732291241.db2.gz RDIWFOGHPOICAL-UHFFFAOYSA-N 2 1 359.901 3.150 20 0 FGADMP CO[C@@H]1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000859324007 732310233 /nfs/dbraw/zinc/31/02/33/732310233.db2.gz GMAYZJNDKMIFNG-LWYYNNOASA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000859324007 732310237 /nfs/dbraw/zinc/31/02/37/732310237.db2.gz GMAYZJNDKMIFNG-LWYYNNOASA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@@H]1C ZINC000859324007 732310243 /nfs/dbraw/zinc/31/02/43/732310243.db2.gz GMAYZJNDKMIFNG-LWYYNNOASA-N 2 1 370.654 3.408 20 0 FGADMP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(Br)n1 ZINC000862250898 732798996 /nfs/dbraw/zinc/79/89/96/732798996.db2.gz WHRUGXGWWSFGQA-UHFFFAOYSA-N 2 1 369.351 3.271 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cnc(Cl)c(F)c3)c2)CCO1 ZINC000865430672 733198990 /nfs/dbraw/zinc/19/89/90/733198990.db2.gz LMOFUDATSPYSPK-AWEZNQCLSA-N 2 1 363.864 3.385 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(Cl)c(F)c3)c2)CCO1 ZINC000865430672 733198995 /nfs/dbraw/zinc/19/89/95/733198995.db2.gz LMOFUDATSPYSPK-AWEZNQCLSA-N 2 1 363.864 3.385 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865820239 733275918 /nfs/dbraw/zinc/27/59/18/733275918.db2.gz CEBWLRMNXCWTDO-DOTOQJQBSA-N 2 1 353.551 3.484 20 0 FGADMP C[C@H](CCc1cccnc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000866213536 733324650 /nfs/dbraw/zinc/32/46/50/733324650.db2.gz RXCVZCHNIPSMIV-IEBWSBKVSA-N 2 1 358.555 3.043 20 0 FGADMP C[C@H]([NH2+]Cc1nn(C)cc1C(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000866562949 733366636 /nfs/dbraw/zinc/36/66/36/733366636.db2.gz GWBOTDJZOLNZGM-ZDUSSCGKSA-N 2 1 352.429 3.149 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)[C@H](C)C1 ZINC000872129286 735593922 /nfs/dbraw/zinc/59/39/22/735593922.db2.gz XIFZJXQONKHGAL-FPSMNIFISA-N 2 1 351.535 3.094 20 0 FGADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156057 735597251 /nfs/dbraw/zinc/59/72/51/735597251.db2.gz DGIIWAFZVYYKQP-SJLPKXTDSA-N 2 1 358.592 3.209 20 0 FGADMP Cc1ccc(Br)c(F)c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000873012347 735709487 /nfs/dbraw/zinc/70/94/87/735709487.db2.gz RASITVPMYIDZOZ-UHFFFAOYSA-N 2 1 372.326 3.014 20 0 FGADMP CC(C)c1nc([C@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cs1 ZINC000873243460 735743537 /nfs/dbraw/zinc/74/35/37/735743537.db2.gz LJVDQKBIRRVHFY-ZDUSSCGKSA-N 2 1 356.499 3.157 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248600 736972272 /nfs/dbraw/zinc/97/22/72/736972272.db2.gz QMSSOBRODBSKEB-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(Br)c1 ZINC000879662713 737026074 /nfs/dbraw/zinc/02/60/74/737026074.db2.gz JMQACHKKAXOYIB-INIZCTEOSA-N 2 1 352.276 3.321 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)cc1 ZINC000884039262 737627322 /nfs/dbraw/zinc/62/73/22/737627322.db2.gz JCLOVGNFQOPFOX-ZBEGNZNMSA-N 2 1 351.372 3.041 20 0 FGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000884203137 737642496 /nfs/dbraw/zinc/64/24/96/737642496.db2.gz POVKDZPZRBNOQG-WBVHZDCISA-N 2 1 351.560 3.086 20 0 FGADMP C([NH2+][C@@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000885977135 739205867 /nfs/dbraw/zinc/20/58/67/739205867.db2.gz FFGZFSQWUPLCSF-UXHICEINSA-N 2 1 350.547 3.349 20 0 FGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@H](O)C(F)(F)F ZINC000886558490 739267089 /nfs/dbraw/zinc/26/70/89/739267089.db2.gz LSLXKAPROGDECX-ADHGMGHFSA-N 2 1 356.432 3.331 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)s1 ZINC000892462630 740003129 /nfs/dbraw/zinc/00/31/29/740003129.db2.gz SDINFVGVHHVJJA-UHFFFAOYSA-N 2 1 359.495 3.205 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000892480022 740004505 /nfs/dbraw/zinc/00/45/05/740004505.db2.gz XNNTXPBMQNEIQJ-UHFFFAOYSA-N 2 1 368.319 3.370 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)C[C@@H]1C(F)(F)F ZINC000892624827 740024820 /nfs/dbraw/zinc/02/48/20/740024820.db2.gz WVUTZCZWPVOURT-ZNMIVQPWSA-N 2 1 361.408 3.082 20 0 FGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892744679 740040226 /nfs/dbraw/zinc/04/02/26/740040226.db2.gz CKONOOPQZWIFLK-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892744679 740040230 /nfs/dbraw/zinc/04/02/30/740040230.db2.gz CKONOOPQZWIFLK-CQSZACIVSA-N 2 1 368.319 3.229 20 0 FGADMP CN(CC[N@@H+](C)Cc1cc2ccnc(Cl)c2s1)C1CC[NH+](C)CC1 ZINC000894767389 742330557 /nfs/dbraw/zinc/33/05/57/742330557.db2.gz XEYCNMNDAJRPCI-UHFFFAOYSA-N 2 1 366.962 3.408 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000894806470 742337167 /nfs/dbraw/zinc/33/71/67/742337167.db2.gz CXEGNPDVWWKDQI-UHFFFAOYSA-N 2 1 368.319 3.372 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC[N@H+]1C ZINC000898162365 742751308 /nfs/dbraw/zinc/75/13/08/742751308.db2.gz QSASOUNXHOZIFR-DVHLICQRSA-N 2 1 356.432 3.084 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794291 743776273 /nfs/dbraw/zinc/77/62/73/743776273.db2.gz UZRNJQLUUHNFSD-NWDGAFQWSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C(F)(F)F)s1 ZINC000902794291 743776276 /nfs/dbraw/zinc/77/62/76/743776276.db2.gz UZRNJQLUUHNFSD-NWDGAFQWSA-N 2 1 363.449 3.005 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903169700 743816377 /nfs/dbraw/zinc/81/63/77/743816377.db2.gz DCXIOQSHXLPODD-NXCDMZCRSA-N 2 1 354.416 3.486 20 0 FGADMP C[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000903921577 743897668 /nfs/dbraw/zinc/89/76/68/743897668.db2.gz PMWBILURYFNGMW-VXGBXAGGSA-N 2 1 354.285 3.360 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969826 743906785 /nfs/dbraw/zinc/90/67/85/743906785.db2.gz LXNFTMXFGUDDEF-PBHICJAKSA-N 2 1 367.331 3.128 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074333 743991573 /nfs/dbraw/zinc/99/15/73/743991573.db2.gz GQXYJUYOFFHFGO-ZFWWWQNUSA-N 2 1 350.450 3.253 20 0 FGADMP CC[C@](O)(C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000905074333 743991576 /nfs/dbraw/zinc/99/15/76/743991576.db2.gz GQXYJUYOFFHFGO-ZFWWWQNUSA-N 2 1 350.450 3.253 20 0 FGADMP CCc1cccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000919718595 758466413 /nfs/dbraw/zinc/46/64/13/758466413.db2.gz HIKXKPGGXOJHHK-UHFFFAOYSA-N 2 1 355.511 3.205 20 0 FGADMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385736 758909577 /nfs/dbraw/zinc/90/95/77/758909577.db2.gz CSQDXXPPOKCDOH-YKTARERQSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385736 758909580 /nfs/dbraw/zinc/90/95/80/758909580.db2.gz CSQDXXPPOKCDOH-YKTARERQSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390074 758910653 /nfs/dbraw/zinc/91/06/53/758910653.db2.gz XEKMQWTZGUCNLP-TVFCKZIOSA-N 2 1 367.331 3.018 20 0 FGADMP Cc1nc2ccc(C[NH2+][C@@H]3C[C@]4(C[N@H+](C)[C@H]4C(C)C)C[C@H]3O)cc2s1 ZINC000922391187 758911403 /nfs/dbraw/zinc/91/14/03/758911403.db2.gz UKDDODOEDKVHCI-IZBJGVDFSA-N 2 1 359.539 3.174 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390430 758911429 /nfs/dbraw/zinc/91/14/29/758911429.db2.gz MNIMXBDREDRJJG-NYTXWWLZSA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922392354 758912737 /nfs/dbraw/zinc/91/27/37/758912737.db2.gz DCBKLCQZQBCAEQ-YZDADXEPSA-N 2 1 365.587 3.400 20 0 FGADMP c1csc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000923347552 759103879 /nfs/dbraw/zinc/10/38/79/759103879.db2.gz SCHFUCMXIWNOQV-FBVQUNGASA-N 3 1 360.571 3.008 20 0 FGADMP c1csc(CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000923347552 759103883 /nfs/dbraw/zinc/10/38/83/759103883.db2.gz SCHFUCMXIWNOQV-FBVQUNGASA-N 2 1 360.571 3.008 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923497248 759132356 /nfs/dbraw/zinc/13/23/56/759132356.db2.gz DETITEZPSHENHT-LSDHHAIUSA-N 2 1 361.511 3.147 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923497248 759132360 /nfs/dbraw/zinc/13/23/60/759132360.db2.gz DETITEZPSHENHT-LSDHHAIUSA-N 2 1 361.511 3.147 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3c(Cl)ccnc31)C2 ZINC000926879519 759836548 /nfs/dbraw/zinc/83/65/48/759836548.db2.gz LJLXLLZRMRGDGK-RISVGRPXSA-N 2 1 363.933 3.182 20 0 FGADMP Cc1nnsc1[C@H](C)[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000929805985 760459816 /nfs/dbraw/zinc/45/98/16/760459816.db2.gz NKGNTAMZSHWXQF-INIZCTEOSA-N 2 1 365.591 3.036 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1ccc(Br)nc1N ZINC000931704600 760934848 /nfs/dbraw/zinc/93/48/48/760934848.db2.gz WURNSUAMMUWXGZ-UHFFFAOYSA-N 2 1 355.324 3.124 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935145206 761801063 /nfs/dbraw/zinc/80/10/63/761801063.db2.gz BVGCUGPOWHQQBY-KDOFPFPSSA-N 2 1 369.912 3.366 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000971566433 762913579 /nfs/dbraw/zinc/91/35/79/762913579.db2.gz FLAQXGACUZQMFG-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000971566433 762913583 /nfs/dbraw/zinc/91/35/83/762913583.db2.gz FLAQXGACUZQMFG-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC000971566433 762913588 /nfs/dbraw/zinc/91/35/88/762913588.db2.gz FLAQXGACUZQMFG-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC000971566433 762913592 /nfs/dbraw/zinc/91/35/92/762913592.db2.gz FLAQXGACUZQMFG-JENIJYKNSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC000985441963 763931165 /nfs/dbraw/zinc/93/11/65/763931165.db2.gz NGMNYWXVDKXJQL-UKRRQHHQSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3sccc3Cl)CC2)CC[NH+]1C ZINC000985441963 763931168 /nfs/dbraw/zinc/93/11/68/763931168.db2.gz NGMNYWXVDKXJQL-UKRRQHHQSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3sccc3Cl)CC2)CC[NH+]1C ZINC000985441963 763931172 /nfs/dbraw/zinc/93/11/72/763931172.db2.gz NGMNYWXVDKXJQL-UKRRQHHQSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cc(C)sc3C)CC2)CC[N@H+]1C ZINC001002863355 765349661 /nfs/dbraw/zinc/34/96/61/765349661.db2.gz VVFMIBAEZGEEKN-RBUKOAKNSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001007370671 765588949 /nfs/dbraw/zinc/58/89/49/765588949.db2.gz ZNLBMMKUFQCKNY-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001007370671 765588958 /nfs/dbraw/zinc/58/89/58/765588958.db2.gz ZNLBMMKUFQCKNY-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001007370671 765588966 /nfs/dbraw/zinc/58/89/66/765588966.db2.gz ZNLBMMKUFQCKNY-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001007370671 765588974 /nfs/dbraw/zinc/58/89/74/765588974.db2.gz ZNLBMMKUFQCKNY-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001023380666 766036029 /nfs/dbraw/zinc/03/60/29/766036029.db2.gz DZEJWVAKBYIKCI-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001023380666 766036036 /nfs/dbraw/zinc/03/60/36/766036036.db2.gz DZEJWVAKBYIKCI-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001023380666 766036043 /nfs/dbraw/zinc/03/60/43/766036043.db2.gz DZEJWVAKBYIKCI-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001034648628 766243075 /nfs/dbraw/zinc/24/30/75/766243075.db2.gz KZSCAWVJQMBILE-UTRMSSBJSA-N 2 1 363.571 3.222 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2sccc2Cl)CC[N@H+]1C ZINC001045044397 766504317 /nfs/dbraw/zinc/50/43/17/766504317.db2.gz GMHWETBCWYAKJP-OFQRWUPVSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001046330617 766586413 /nfs/dbraw/zinc/58/64/13/766586413.db2.gz OHRGMJGDXDAZBN-JOQOYGCGSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001046330617 766586420 /nfs/dbraw/zinc/58/64/20/766586420.db2.gz OHRGMJGDXDAZBN-JOQOYGCGSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001046330617 766586428 /nfs/dbraw/zinc/58/64/28/766586428.db2.gz OHRGMJGDXDAZBN-JOQOYGCGSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001046330617 766586435 /nfs/dbraw/zinc/58/64/35/766586435.db2.gz OHRGMJGDXDAZBN-JOQOYGCGSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001052393857 766900456 /nfs/dbraw/zinc/90/04/56/766900456.db2.gz RTSJXRSUZSTWFV-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC001052393857 766900462 /nfs/dbraw/zinc/90/04/62/766900462.db2.gz RTSJXRSUZSTWFV-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC001052393857 766900467 /nfs/dbraw/zinc/90/04/67/766900467.db2.gz RTSJXRSUZSTWFV-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000570917921 505610953 /nfs/dbraw/zinc/61/09/53/505610953.db2.gz HKTDSQDMWBZNQF-GOSISDBHSA-N 2 1 374.529 3.063 20 0 FGADMP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Nc1cc(F)cc(F)c1 ZINC000570955633 505619780 /nfs/dbraw/zinc/61/97/80/505619780.db2.gz UDECTPJEDKPHPR-KRWDZBQOSA-N 2 1 373.447 3.405 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000568277466 505657320 /nfs/dbraw/zinc/65/73/20/505657320.db2.gz XARGQYMKABRMMN-YJMBLLCNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](N2CCCC2=O)C1 ZINC000568277466 505657324 /nfs/dbraw/zinc/65/73/24/505657324.db2.gz XARGQYMKABRMMN-YJMBLLCNSA-N 2 1 369.553 3.420 20 0 FGADMP Cc1ncc2n1C[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083218 505674308 /nfs/dbraw/zinc/67/43/08/505674308.db2.gz KTBJCURVHTYQJN-FPOVZHCZSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083218 505674317 /nfs/dbraw/zinc/67/43/17/505674317.db2.gz KTBJCURVHTYQJN-FPOVZHCZSA-N 2 1 368.525 3.027 20 0 FGADMP CCC[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047972658 493768085 /nfs/dbraw/zinc/76/80/85/493768085.db2.gz PDTOWUFWGKRNTL-NRFANRHFSA-N 2 1 357.542 3.452 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)nc2ccccc12 ZINC000075935785 493796444 /nfs/dbraw/zinc/79/64/44/493796444.db2.gz QVQVVIYAJLVTJX-IRXDYDNUSA-N 2 1 368.525 3.259 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000057843939 493807562 /nfs/dbraw/zinc/80/75/62/493807562.db2.gz FPOQRMRICKVUSH-UHFFFAOYSA-N 2 1 351.494 3.130 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000568387001 505682400 /nfs/dbraw/zinc/68/24/00/505682400.db2.gz JTMLYGGFTLZOPF-MBOZVWFJSA-N 2 1 359.514 3.253 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058263155 493839458 /nfs/dbraw/zinc/83/94/58/493839458.db2.gz LQJJPVKIGBPWGP-OAQYLSRUSA-N 2 1 355.526 3.128 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccccc2)c1)C1CCOCC1 ZINC000076399907 493885351 /nfs/dbraw/zinc/88/53/51/493885351.db2.gz SPTRAZHBKWBWAA-UHFFFAOYSA-N 2 1 354.494 3.466 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000058856230 493889036 /nfs/dbraw/zinc/88/90/36/493889036.db2.gz KFPNNHPEKKBOTM-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300102 506402065 /nfs/dbraw/zinc/40/20/65/506402065.db2.gz NBGCBAPHDOJQSJ-WBTXTPOCSA-N 2 1 368.562 3.056 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300102 506402070 /nfs/dbraw/zinc/40/20/70/506402070.db2.gz NBGCBAPHDOJQSJ-WBTXTPOCSA-N 2 1 368.562 3.056 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CC1(O)CCC(C(=O)OC(C)(C)C)CC1 ZINC000599300102 506402078 /nfs/dbraw/zinc/40/20/78/506402078.db2.gz NBGCBAPHDOJQSJ-WBTXTPOCSA-N 2 1 368.562 3.056 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000081565736 493917823 /nfs/dbraw/zinc/91/78/23/493917823.db2.gz QJRRGYKKJRSLEZ-XLIONFOSSA-N 2 1 363.521 3.417 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000081565736 493917825 /nfs/dbraw/zinc/91/78/25/493917825.db2.gz QJRRGYKKJRSLEZ-XLIONFOSSA-N 2 1 363.521 3.417 20 0 FGADMP C[N@@H+](CCc1ccccc1)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076710906 493956109 /nfs/dbraw/zinc/95/61/09/493956109.db2.gz BFOFJGHVONVGGP-UHFFFAOYSA-N 2 1 365.521 3.073 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000061795018 493994754 /nfs/dbraw/zinc/99/47/54/493994754.db2.gz RGUTVCSTLYZBJI-NRFANRHFSA-N 2 1 368.525 3.240 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000061907922 493999466 /nfs/dbraw/zinc/99/94/66/493999466.db2.gz JPSQHCHNOWQWLO-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP COc1cc(Br)c(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754124 494007498 /nfs/dbraw/zinc/00/74/98/494007498.db2.gz PBVFRBLZXRLWSR-UHFFFAOYSA-N 2 1 368.275 3.151 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000077202446 494031870 /nfs/dbraw/zinc/03/18/70/494031870.db2.gz COYWKPHYPCQGHK-OAQYLSRUSA-N 2 1 370.541 3.417 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000084440688 494073278 /nfs/dbraw/zinc/07/32/78/494073278.db2.gz YUGPXXMMNDGGQA-KRWDZBQOSA-N 2 1 366.575 3.086 20 0 FGADMP CC(C)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000039649502 494123968 /nfs/dbraw/zinc/12/39/68/494123968.db2.gz DNUWPPDJIPTIRG-OAQYLSRUSA-N 2 1 365.521 3.294 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086249087 494146741 /nfs/dbraw/zinc/14/67/41/494146741.db2.gz DZBURXRNZDROLG-MRXNPFEDSA-N 2 1 374.554 3.433 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000086366823 494150674 /nfs/dbraw/zinc/15/06/74/494150674.db2.gz PUEGTPKHYIBVCK-WBVHZDCISA-N 2 1 367.497 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000086366823 494150678 /nfs/dbraw/zinc/15/06/78/494150678.db2.gz PUEGTPKHYIBVCK-WBVHZDCISA-N 2 1 367.497 3.025 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000064809334 494151309 /nfs/dbraw/zinc/15/13/09/494151309.db2.gz OGJUYOTYJWBJLJ-UHFFFAOYSA-N 2 1 355.526 3.046 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000064809334 494151311 /nfs/dbraw/zinc/15/13/11/494151311.db2.gz OGJUYOTYJWBJLJ-UHFFFAOYSA-N 2 1 355.526 3.046 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000053958228 494177581 /nfs/dbraw/zinc/17/75/81/494177581.db2.gz NKKCSLWVSAADRW-UHFFFAOYSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088736479 494257605 /nfs/dbraw/zinc/25/76/05/494257605.db2.gz DOCGLWINOPLBGY-FRIKZZABSA-N 3 1 370.585 3.324 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000088736479 494257607 /nfs/dbraw/zinc/25/76/07/494257607.db2.gz DOCGLWINOPLBGY-FRIKZZABSA-N 2 1 370.585 3.324 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000088736479 494257608 /nfs/dbraw/zinc/25/76/08/494257608.db2.gz DOCGLWINOPLBGY-FRIKZZABSA-N 2 1 370.585 3.324 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000065992144 494266784 /nfs/dbraw/zinc/26/67/84/494266784.db2.gz GNZNRVTYAAIYES-UHFFFAOYSA-N 2 1 365.521 3.147 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000089158367 494270867 /nfs/dbraw/zinc/27/08/67/494270867.db2.gz PQHFYKKQDDZGIK-YLJYHZDGSA-N 2 1 359.514 3.250 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000089158367 494270871 /nfs/dbraw/zinc/27/08/71/494270871.db2.gz PQHFYKKQDDZGIK-YLJYHZDGSA-N 2 1 359.514 3.250 20 0 FGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000072895463 494277130 /nfs/dbraw/zinc/27/71/30/494277130.db2.gz JAJUNSYYOJCKDC-NRFANRHFSA-N 2 1 353.510 3.448 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444713 494307661 /nfs/dbraw/zinc/30/76/61/494307661.db2.gz IYAWKQOBWZUCRK-IBGZPJMESA-N 2 1 374.529 3.077 20 0 FGADMP c1ccc(CN2CCC[C@H]([NH2+]CC3([NH+]4CCCCC4)CCOCC3)C2)cc1 ZINC000089594587 494327878 /nfs/dbraw/zinc/32/78/78/494327878.db2.gz LXGVCMWQIUZVDI-QFIPXVFZSA-N 2 1 371.569 3.276 20 0 FGADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C[NH+]1CCCC1 ZINC000073204678 494336737 /nfs/dbraw/zinc/33/67/37/494336737.db2.gz NHDDEAUYBFXYCZ-AABGKKOBSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000073677746 494413025 /nfs/dbraw/zinc/41/30/25/494413025.db2.gz HLTRJFBQCNJVOW-AQNXPRMDSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000073773589 494426498 /nfs/dbraw/zinc/42/64/98/494426498.db2.gz JZCRVDMBUVNADG-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082473 494438191 /nfs/dbraw/zinc/43/81/91/494438191.db2.gz NFGYMHNZSRUJIQ-GYSYKLTISA-N 2 1 365.827 3.451 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000079570263 494484013 /nfs/dbraw/zinc/48/40/13/494484013.db2.gz XJGIGLIUAKIRME-UHFFFAOYSA-N 2 1 352.567 3.013 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCN(c4ccccn4)C3)CC2)cc1 ZINC000090801334 494497371 /nfs/dbraw/zinc/49/73/71/494497371.db2.gz FHQDEPZGBZUWSC-OAQYLSRUSA-N 2 1 368.500 3.096 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000021513251 494498461 /nfs/dbraw/zinc/49/84/61/494498461.db2.gz PRWBHJDMSAKNRW-UHFFFAOYSA-N 2 1 357.292 3.127 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568579576 505727407 /nfs/dbraw/zinc/72/74/07/505727407.db2.gz UCORELQUPAQFBC-JOCHJYFZSA-N 2 1 357.542 3.233 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(OC)c(O)c2)CC1 ZINC000092405155 494615200 /nfs/dbraw/zinc/61/52/00/494615200.db2.gz SALNAXVJFTZALO-UHFFFAOYSA-N 2 1 369.509 3.175 20 0 FGADMP CCCCNC(=O)[C@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000574281451 505736876 /nfs/dbraw/zinc/73/68/76/505736876.db2.gz UCVCPZPFJSYSRX-DLBZAZTESA-N 2 1 351.560 3.115 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491006 494799669 /nfs/dbraw/zinc/79/96/69/494799669.db2.gz JBAFSRAPWCVEBA-OALUTQOASA-N 2 1 372.557 3.243 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CC2 ZINC000126675034 494816971 /nfs/dbraw/zinc/81/69/71/494816971.db2.gz WDPYZTWKEDFJEB-HSZRJFAPSA-N 2 1 365.521 3.220 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000121633409 494826476 /nfs/dbraw/zinc/82/64/76/494826476.db2.gz IGZLBRKJVFJBTK-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000121633409 494826480 /nfs/dbraw/zinc/82/64/80/494826480.db2.gz IGZLBRKJVFJBTK-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000121633409 494826485 /nfs/dbraw/zinc/82/64/85/494826485.db2.gz IGZLBRKJVFJBTK-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc2ccccc2c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093146868 494834306 /nfs/dbraw/zinc/83/43/06/494834306.db2.gz QGEARQRULSAGOD-FQEVSTJZSA-N 2 1 367.537 3.450 20 0 FGADMP COc1ccc2ccccc2c1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093146868 494834308 /nfs/dbraw/zinc/83/43/08/494834308.db2.gz QGEARQRULSAGOD-FQEVSTJZSA-N 2 1 367.537 3.450 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000093147640 494834360 /nfs/dbraw/zinc/83/43/60/494834360.db2.gz FJYIFALASSLJAA-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc(-c3ccncc3)c2)CC1 ZINC000093147640 494834363 /nfs/dbraw/zinc/83/43/63/494834363.db2.gz FJYIFALASSLJAA-QHCPKHFHSA-N 2 1 364.537 3.351 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cccc(CO)c3)CC2)oc1C ZINC000121799879 494862582 /nfs/dbraw/zinc/86/25/82/494862582.db2.gz NAMMIIIKMQFLPL-MRXNPFEDSA-N 2 1 357.498 3.347 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)oc1C ZINC000121799385 494862746 /nfs/dbraw/zinc/86/27/46/494862746.db2.gz ORQHVDXJUVZNEF-RLLQIKCJSA-N 2 1 359.514 3.051 20 0 FGADMP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000577536758 505747304 /nfs/dbraw/zinc/74/73/04/505747304.db2.gz OWSANCLFKCCSSI-PXCRPINLSA-N 2 1 354.498 3.065 20 0 FGADMP Cn1cncc1[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCO1 ZINC000577536758 505747306 /nfs/dbraw/zinc/74/73/06/505747306.db2.gz OWSANCLFKCCSSI-PXCRPINLSA-N 2 1 354.498 3.065 20 0 FGADMP Cc1cc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c2cc(F)ccc2[nH+]1 ZINC000121943023 494895965 /nfs/dbraw/zinc/89/59/65/494895965.db2.gz QKLUSCGTVBHMFE-IBGZPJMESA-N 2 1 361.486 3.302 20 0 FGADMP Cc1csc(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000117383165 494915717 /nfs/dbraw/zinc/91/57/17/494915717.db2.gz MAOSVRUJRUAPEH-UHFFFAOYSA-N 2 1 358.555 3.139 20 0 FGADMP CC[N@H+](CC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)C1CC1 ZINC000132811915 494927836 /nfs/dbraw/zinc/92/78/36/494927836.db2.gz ACQZOWXWTOLVGY-UHFFFAOYSA-N 2 1 355.482 3.012 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+](C)Cc1ccco1)C1CC1 ZINC000132811915 494927838 /nfs/dbraw/zinc/92/78/38/494927838.db2.gz ACQZOWXWTOLVGY-UHFFFAOYSA-N 2 1 355.482 3.012 20 0 FGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1)C1CC1 ZINC000132811915 494927839 /nfs/dbraw/zinc/92/78/39/494927839.db2.gz ACQZOWXWTOLVGY-UHFFFAOYSA-N 2 1 355.482 3.012 20 0 FGADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1)C1CC1 ZINC000132811915 494927840 /nfs/dbraw/zinc/92/78/40/494927840.db2.gz ACQZOWXWTOLVGY-UHFFFAOYSA-N 2 1 355.482 3.012 20 0 FGADMP Cc1ccc2nc(CSCC(=O)NC[C@H]3CCC[N@H+](C(C)C)C3)cn2c1 ZINC000128005835 495029902 /nfs/dbraw/zinc/02/99/02/495029902.db2.gz YANLXKLXGLLGSV-QGZVFWFLSA-N 2 1 374.554 3.113 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+](C)C[C@H]3CCC[NH+](C)C3)n2)cc1F ZINC000118841307 495047127 /nfs/dbraw/zinc/04/71/27/495047127.db2.gz ZXEMZHHXRWFGPE-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP Cc1ccc(-c2noc(CCC[NH+](C)C[C@H]3CCC[N@H+](C)C3)n2)cc1F ZINC000118841307 495047132 /nfs/dbraw/zinc/04/71/32/495047132.db2.gz ZXEMZHHXRWFGPE-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP Cc1ccc(-c2noc(CCC[NH+](C)C[C@H]3CCC[N@@H+](C)C3)n2)cc1F ZINC000118841307 495047136 /nfs/dbraw/zinc/04/71/36/495047136.db2.gz ZXEMZHHXRWFGPE-INIZCTEOSA-N 2 1 360.477 3.390 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868099 495051398 /nfs/dbraw/zinc/05/13/98/495051398.db2.gz SCPBXRSRAQRSCB-CQSZACIVSA-N 2 1 367.921 3.339 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144382 495061838 /nfs/dbraw/zinc/06/18/38/495061838.db2.gz FEOKPVRXIBNEMH-ZBFHGGJFSA-N 2 1 360.420 3.329 20 0 FGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000119014056 495070651 /nfs/dbraw/zinc/07/06/51/495070651.db2.gz HZQMCQXZKDSLEN-IDCODDLRSA-N 2 1 363.933 3.276 20 0 FGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000119014056 495070653 /nfs/dbraw/zinc/07/06/53/495070653.db2.gz HZQMCQXZKDSLEN-IDCODDLRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000111418987 495072843 /nfs/dbraw/zinc/07/28/43/495072843.db2.gz LGPOFGLHOINTLF-QGZVFWFLSA-N 2 1 354.498 3.390 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1Br ZINC000128288555 495073518 /nfs/dbraw/zinc/07/35/18/495073518.db2.gz RRZCLEUISNHNDP-OAHLLOKOSA-N 2 1 354.336 3.127 20 0 FGADMP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000119061345 495083077 /nfs/dbraw/zinc/08/30/77/495083077.db2.gz MZMXLAFQDBDLKW-HNNXBMFYSA-N 2 1 360.889 3.350 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000119061345 495083081 /nfs/dbraw/zinc/08/30/81/495083081.db2.gz MZMXLAFQDBDLKW-HNNXBMFYSA-N 2 1 360.889 3.350 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@@H+]1C ZINC000123137446 495086424 /nfs/dbraw/zinc/08/64/24/495086424.db2.gz ZMIOCQNYBPKQIH-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)CC[N@H+]1C ZINC000123137446 495086427 /nfs/dbraw/zinc/08/64/27/495086427.db2.gz ZMIOCQNYBPKQIH-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123137446 495086429 /nfs/dbraw/zinc/08/64/29/495086429.db2.gz ZMIOCQNYBPKQIH-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)CC[NH+]1C ZINC000123137446 495086430 /nfs/dbraw/zinc/08/64/30/495086430.db2.gz ZMIOCQNYBPKQIH-CZUORRHYSA-N 2 1 368.319 3.192 20 0 FGADMP COc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)cc1Cl ZINC000123235074 495101425 /nfs/dbraw/zinc/10/14/25/495101425.db2.gz ZSDIHWDJZQJCDW-UHFFFAOYSA-N 2 1 367.921 3.341 20 0 FGADMP COC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000128468553 495101576 /nfs/dbraw/zinc/10/15/76/495101576.db2.gz VWXUGQGUWBAJIP-SFHVURJKSA-N 2 1 373.463 3.010 20 0 FGADMP COc1cc(OC)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000128579663 495119399 /nfs/dbraw/zinc/11/93/99/495119399.db2.gz BILZMDVYUGJISQ-HNNXBMFYSA-N 2 1 369.937 3.035 20 0 FGADMP Cc1nnc(CN2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C1CC1 ZINC000103142870 495198452 /nfs/dbraw/zinc/19/84/52/495198452.db2.gz WPGJTORVMLJFTF-UHFFFAOYSA-N 2 1 353.514 3.265 20 0 FGADMP Cc1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1C1CC1 ZINC000103142870 495198455 /nfs/dbraw/zinc/19/84/55/495198455.db2.gz WPGJTORVMLJFTF-UHFFFAOYSA-N 2 1 353.514 3.265 20 0 FGADMP Cc1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1C1CC1 ZINC000103142870 495198458 /nfs/dbraw/zinc/19/84/58/495198458.db2.gz WPGJTORVMLJFTF-UHFFFAOYSA-N 2 1 353.514 3.265 20 0 FGADMP COc1ccc2c(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861460 495211515 /nfs/dbraw/zinc/21/15/15/495211515.db2.gz JEKUCIRXRKPWPC-QRWLVFNGSA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861460 495211519 /nfs/dbraw/zinc/21/15/19/495211519.db2.gz JEKUCIRXRKPWPC-QRWLVFNGSA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861460 495211522 /nfs/dbraw/zinc/21/15/22/495211522.db2.gz JEKUCIRXRKPWPC-QRWLVFNGSA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000134861460 495211526 /nfs/dbraw/zinc/21/15/26/495211526.db2.gz JEKUCIRXRKPWPC-QRWLVFNGSA-N 2 1 368.477 3.250 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N1CC[NH+](C2CC2)CC1 ZINC000112751044 495236618 /nfs/dbraw/zinc/23/66/18/495236618.db2.gz LWTUAPGAQJLWCO-UHFFFAOYSA-N 2 1 370.541 3.052 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135014776 495238502 /nfs/dbraw/zinc/23/85/02/495238502.db2.gz NSIWWINNZJCRDS-HXUWFJFHSA-N 2 1 357.542 3.483 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1Cl ZINC000124381794 495278685 /nfs/dbraw/zinc/27/86/85/495278685.db2.gz DAKBYEQZUCYRQZ-HNNXBMFYSA-N 2 1 353.938 3.273 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113364806 495300031 /nfs/dbraw/zinc/30/00/31/495300031.db2.gz CIUGHQPAGCGQMV-OAQYLSRUSA-N 2 1 372.557 3.215 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000129983362 495324356 /nfs/dbraw/zinc/32/43/56/495324356.db2.gz YOSSQVRUUARBKV-QUCCMNQESA-N 2 1 366.594 3.116 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083261 495335272 /nfs/dbraw/zinc/33/52/72/495335272.db2.gz LVMMHAKGRMHYQY-CTNGQTDRSA-N 2 1 374.573 3.271 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](CC)C2)c1 ZINC000105118836 495338854 /nfs/dbraw/zinc/33/88/54/495338854.db2.gz NATYEKXVPYVALV-HXUWFJFHSA-N 2 1 360.546 3.060 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCSc3ccccc3F)C2)CC1 ZINC000136064825 495353851 /nfs/dbraw/zinc/35/38/51/495353851.db2.gz UOLWRGOVBFDRKQ-QGZVFWFLSA-N 2 1 351.535 3.020 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCSc3ccccc3F)C2)CC1 ZINC000136064825 495353853 /nfs/dbraw/zinc/35/38/53/495353853.db2.gz UOLWRGOVBFDRKQ-QGZVFWFLSA-N 2 1 351.535 3.020 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789887 505777585 /nfs/dbraw/zinc/77/75/85/505777585.db2.gz MMDGMCJCBGSHAK-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568789887 505777586 /nfs/dbraw/zinc/77/75/86/505777586.db2.gz MMDGMCJCBGSHAK-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568789887 505777591 /nfs/dbraw/zinc/77/75/91/505777591.db2.gz MMDGMCJCBGSHAK-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000114455384 495376525 /nfs/dbraw/zinc/37/65/25/495376525.db2.gz AYTBNSOOAHRMFY-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000114455384 495376530 /nfs/dbraw/zinc/37/65/30/495376530.db2.gz AYTBNSOOAHRMFY-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CCC[N@H+](CCCC(=O)OCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477344 495380621 /nfs/dbraw/zinc/38/06/21/495380621.db2.gz BHQGIFTVKFDRAF-UHFFFAOYSA-N 2 1 362.518 3.118 20 0 FGADMP CCC[N@@H+](CCCC(=O)OCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477344 495380627 /nfs/dbraw/zinc/38/06/27/495380627.db2.gz BHQGIFTVKFDRAF-UHFFFAOYSA-N 2 1 362.518 3.118 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571633510 505778593 /nfs/dbraw/zinc/77/85/93/505778593.db2.gz BHOAOGYQLYHRCJ-WMZOPIPTSA-N 2 1 367.896 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571633510 505778594 /nfs/dbraw/zinc/77/85/94/505778594.db2.gz BHOAOGYQLYHRCJ-WMZOPIPTSA-N 2 1 367.896 3.248 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000125159678 495399971 /nfs/dbraw/zinc/39/99/71/495399971.db2.gz YWFBUBLYIBZJGY-VIQWUECVSA-N 2 1 352.567 3.059 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)cc1F ZINC000120692112 495435843 /nfs/dbraw/zinc/43/58/43/495435843.db2.gz VFITWXCWIHQLGN-KKUMJFAQSA-N 2 1 358.461 3.197 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000120769115 495453998 /nfs/dbraw/zinc/45/39/98/495453998.db2.gz GPTRAGKXEDDYNA-CQSZACIVSA-N 2 1 357.340 3.278 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000120808364 495462696 /nfs/dbraw/zinc/46/26/96/495462696.db2.gz UNAKZGNMPHTEQC-OAHLLOKOSA-N 2 1 352.404 3.323 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000130919467 495466601 /nfs/dbraw/zinc/46/66/01/495466601.db2.gz JQLJWQYVANPUPD-KRWDZBQOSA-N 2 1 369.513 3.141 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000130919467 495466603 /nfs/dbraw/zinc/46/66/03/495466603.db2.gz JQLJWQYVANPUPD-KRWDZBQOSA-N 2 1 369.513 3.141 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000130919681 495466818 /nfs/dbraw/zinc/46/68/18/495466818.db2.gz JQLJWQYVANPUPD-QGZVFWFLSA-N 2 1 369.513 3.141 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC000130919681 495466821 /nfs/dbraw/zinc/46/68/21/495466821.db2.gz JQLJWQYVANPUPD-QGZVFWFLSA-N 2 1 369.513 3.141 20 0 FGADMP CN(C)c1ccnc(N2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000154310461 495576406 /nfs/dbraw/zinc/57/64/06/495576406.db2.gz OWTZZUKLZJYCFG-RTBURBONSA-N 2 1 351.498 3.034 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4cccc(Cl)c4)no3)CC[C@@H]21 ZINC000158741889 495579644 /nfs/dbraw/zinc/57/96/44/495579644.db2.gz WCYDGBWYJKWGFQ-RDJZCZTQSA-N 2 1 360.889 3.349 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cc4c(cc3Br)OCO4)CC[C@@H]21 ZINC000158863445 495603746 /nfs/dbraw/zinc/60/37/46/495603746.db2.gz LWTFRNXTFBIGKU-DOMZBBRYSA-N 2 1 367.287 3.094 20 0 FGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000154410910 495608276 /nfs/dbraw/zinc/60/82/76/495608276.db2.gz QOXXCZZEPQCHER-OAHLLOKOSA-N 2 1 352.592 3.427 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176365369 495622029 /nfs/dbraw/zinc/62/20/29/495622029.db2.gz SXMVSVMUUDGPRE-RTWAWAEBSA-N 2 1 370.541 3.051 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)COCc2ccco2)CC1 ZINC000158963421 495625445 /nfs/dbraw/zinc/62/54/45/495625445.db2.gz HGQZOIDVSCZPMR-ICSRJNTNSA-N 2 1 364.530 3.134 20 0 FGADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1 ZINC000154470763 495626277 /nfs/dbraw/zinc/62/62/77/495626277.db2.gz SLDOPIWMGIUXEM-UHFFFAOYSA-N 2 1 373.932 3.292 20 0 FGADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc(Cl)c1 ZINC000154470763 495626279 /nfs/dbraw/zinc/62/62/79/495626279.db2.gz SLDOPIWMGIUXEM-UHFFFAOYSA-N 2 1 373.932 3.292 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000173664362 495638985 /nfs/dbraw/zinc/63/89/85/495638985.db2.gz VKIOIFKVIJZHTL-GOSISDBHSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[NH+](C)C1CC1 ZINC000159115920 495662870 /nfs/dbraw/zinc/66/28/70/495662870.db2.gz QZOPIRSLSXOAMX-OPYAIIAOSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000159115920 495662877 /nfs/dbraw/zinc/66/28/77/495662877.db2.gz QZOPIRSLSXOAMX-OPYAIIAOSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+](C)C1CC1 ZINC000159115920 495662882 /nfs/dbraw/zinc/66/28/82/495662882.db2.gz QZOPIRSLSXOAMX-OPYAIIAOSA-N 2 1 372.557 3.164 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185669860 495671204 /nfs/dbraw/zinc/67/12/04/495671204.db2.gz IUEHZYLLXOVBEZ-BXWFABGCSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185669860 495671212 /nfs/dbraw/zinc/67/12/12/495671212.db2.gz IUEHZYLLXOVBEZ-BXWFABGCSA-N 2 1 371.525 3.459 20 0 FGADMP COc1ccc([C@H](NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)C(C)C)cc1 ZINC000159222727 495687128 /nfs/dbraw/zinc/68/71/28/495687128.db2.gz WIWRMSHFUYDGKO-OAQYLSRUSA-N 2 1 372.513 3.036 20 0 FGADMP COc1ccc([C@H](NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)C(C)C)cc1 ZINC000159222727 495687133 /nfs/dbraw/zinc/68/71/33/495687133.db2.gz WIWRMSHFUYDGKO-OAQYLSRUSA-N 2 1 372.513 3.036 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000179678640 495688277 /nfs/dbraw/zinc/68/82/77/495688277.db2.gz HSEWRMXYSHOTHH-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185720424 495696402 /nfs/dbraw/zinc/69/64/02/495696402.db2.gz SUAPOLRZURUWOW-IKGGRYGDSA-N 2 1 363.571 3.038 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCCc1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185720424 495696403 /nfs/dbraw/zinc/69/64/03/495696403.db2.gz SUAPOLRZURUWOW-IKGGRYGDSA-N 2 1 363.571 3.038 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1 ZINC000159315287 495707982 /nfs/dbraw/zinc/70/79/82/495707982.db2.gz WQLCBLGXBYEMFS-ZDUSSCGKSA-N 2 1 373.419 3.376 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185747335 495709362 /nfs/dbraw/zinc/70/93/62/495709362.db2.gz JLASJEKEXUBQMW-WSTZPKSXSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185747335 495709365 /nfs/dbraw/zinc/70/93/65/495709365.db2.gz JLASJEKEXUBQMW-WSTZPKSXSA-N 2 1 369.553 3.202 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766271 495717440 /nfs/dbraw/zinc/71/74/40/495717440.db2.gz HWFLYORZGUOIAF-XYJFISCASA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766271 495717445 /nfs/dbraw/zinc/71/74/45/495717445.db2.gz HWFLYORZGUOIAF-XYJFISCASA-N 2 1 371.525 3.459 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858559 495722225 /nfs/dbraw/zinc/72/22/25/495722225.db2.gz GXPIOQBGIPUPAH-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+](CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000171169687 495753161 /nfs/dbraw/zinc/75/31/61/495753161.db2.gz VXCWSDZMACRTLS-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)c1ccco1 ZINC000154937453 495778224 /nfs/dbraw/zinc/77/82/24/495778224.db2.gz DGZJYFNRWFFHTO-GOSISDBHSA-N 2 1 372.513 3.092 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)c1ccco1 ZINC000154937453 495778231 /nfs/dbraw/zinc/77/82/31/495778231.db2.gz DGZJYFNRWFFHTO-GOSISDBHSA-N 2 1 372.513 3.092 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2cc(=O)n3ccccc3n2)cc1 ZINC000183141238 495851696 /nfs/dbraw/zinc/85/16/96/495851696.db2.gz AFHRDNQPDKQACD-HNNXBMFYSA-N 2 1 359.433 3.039 20 0 FGADMP CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000174180966 495852432 /nfs/dbraw/zinc/85/24/32/495852432.db2.gz VTTPIUKSBMAWTN-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000174180966 495852439 /nfs/dbraw/zinc/85/24/39/495852439.db2.gz VTTPIUKSBMAWTN-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP Cc1cc(NC(=O)CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000183149306 495856019 /nfs/dbraw/zinc/85/60/19/495856019.db2.gz GTKWPMQITGZBJL-CQSZACIVSA-N 2 1 353.426 3.157 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2cccs2)cc1 ZINC000183151877 495857216 /nfs/dbraw/zinc/85/72/16/495857216.db2.gz ZDESEFZOISDIDT-AWEZNQCLSA-N 2 1 354.479 3.209 20 0 FGADMP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC000180170208 495891209 /nfs/dbraw/zinc/89/12/09/495891209.db2.gz QATBLEYKBBPXBP-SEJPIABJSA-N 2 1 355.526 3.174 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155276803 495901147 /nfs/dbraw/zinc/90/11/47/495901147.db2.gz CQUVQGRASXOCIK-NQIIRXRSSA-N 2 1 373.541 3.040 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155276803 495901152 /nfs/dbraw/zinc/90/11/52/495901152.db2.gz CQUVQGRASXOCIK-NQIIRXRSSA-N 2 1 373.541 3.040 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000171527793 495915104 /nfs/dbraw/zinc/91/51/04/495915104.db2.gz WXFORJYSKCWGJZ-LJQANCHMSA-N 2 1 358.917 3.100 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000177126991 495937454 /nfs/dbraw/zinc/93/74/54/495937454.db2.gz OHVASHQIHVIWIZ-BBRMVZONSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000177126991 495937462 /nfs/dbraw/zinc/93/74/62/495937462.db2.gz OHVASHQIHVIWIZ-BBRMVZONSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126991 495937465 /nfs/dbraw/zinc/93/74/65/495937465.db2.gz OHVASHQIHVIWIZ-BBRMVZONSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126991 495937472 /nfs/dbraw/zinc/93/74/72/495937472.db2.gz OHVASHQIHVIWIZ-BBRMVZONSA-N 2 1 357.420 3.449 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171613063 495948140 /nfs/dbraw/zinc/94/81/40/495948140.db2.gz WTTWNACDGUMOKM-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000174417038 495950095 /nfs/dbraw/zinc/95/00/95/495950095.db2.gz PWJVQOOPFSHUJD-SFHVURJKSA-N 2 1 356.514 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000174417038 495950101 /nfs/dbraw/zinc/95/01/01/495950101.db2.gz PWJVQOOPFSHUJD-SFHVURJKSA-N 2 1 356.514 3.423 20 0 FGADMP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000155417437 495951913 /nfs/dbraw/zinc/95/19/13/495951913.db2.gz KWEAVQBQIPMYGR-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]2OCCC[C@@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155417437 495951921 /nfs/dbraw/zinc/95/19/21/495951921.db2.gz KWEAVQBQIPMYGR-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155417437 495951929 /nfs/dbraw/zinc/95/19/29/495951929.db2.gz KWEAVQBQIPMYGR-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP O=C(C1CC1)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000568948331 505815093 /nfs/dbraw/zinc/81/50/93/505815093.db2.gz FFBHRPPFPKUQOI-KOUNCHBCSA-N 2 1 367.537 3.173 20 0 FGADMP CCN1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174531864 495996890 /nfs/dbraw/zinc/99/68/90/495996890.db2.gz QKLGUPLXALKTLX-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP CC[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000174531864 495996895 /nfs/dbraw/zinc/99/68/95/495996895.db2.gz QKLGUPLXALKTLX-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP CC[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000174531864 495996902 /nfs/dbraw/zinc/99/69/02/495996902.db2.gz QKLGUPLXALKTLX-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP CC[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000174531864 495996905 /nfs/dbraw/zinc/99/69/05/495996905.db2.gz QKLGUPLXALKTLX-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP CC[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000174531864 495996911 /nfs/dbraw/zinc/99/69/11/495996911.db2.gz QKLGUPLXALKTLX-HXUWFJFHSA-N 2 1 359.514 3.110 20 0 FGADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(c2nc3cc(Cl)ccc3s2)CC1 ZINC000580719502 505822378 /nfs/dbraw/zinc/82/23/78/505822378.db2.gz CEMLSXIPRYCKKK-QGZVFWFLSA-N 2 1 353.919 3.100 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000174714439 496074527 /nfs/dbraw/zinc/07/45/27/496074527.db2.gz XNFBVNCOIPPOED-UHFFFAOYSA-N 2 1 362.905 3.064 20 0 FGADMP CCc1nc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000177479977 496078253 /nfs/dbraw/zinc/07/82/53/496078253.db2.gz HKGAMPJVMBETMT-HOTGVXAUSA-N 2 1 351.560 3.417 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn4ccsc4n3)CC2)C[C@H](C)O1 ZINC000177503881 496088873 /nfs/dbraw/zinc/08/88/73/496088873.db2.gz DMJRYAKVRHMWLX-IYBDPMFKSA-N 2 1 362.543 3.107 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn4ccsc4n3)CC2)C[C@H](C)O1 ZINC000177503881 496088877 /nfs/dbraw/zinc/08/88/77/496088877.db2.gz DMJRYAKVRHMWLX-IYBDPMFKSA-N 2 1 362.543 3.107 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1ccc(Oc2ccccc2)o1)N1CC[NH+](C)CC1 ZINC000180788985 496146690 /nfs/dbraw/zinc/14/66/90/496146690.db2.gz JDVLPHCUQLWFKK-FQEVSTJZSA-N 2 1 357.498 3.434 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(-n2ccnc2)c1 ZINC000174942883 496174150 /nfs/dbraw/zinc/17/41/50/496174150.db2.gz RWPRUYWHRYNVJA-HXUWFJFHSA-N 2 1 374.488 3.466 20 0 FGADMP CC[C@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152605016 496199275 /nfs/dbraw/zinc/19/92/75/496199275.db2.gz HHCIVHHJYNDNFI-RTBURBONSA-N 2 1 371.550 3.304 20 0 FGADMP CC[C@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152605016 496199286 /nfs/dbraw/zinc/19/92/86/496199286.db2.gz HHCIVHHJYNDNFI-RTBURBONSA-N 2 1 371.550 3.304 20 0 FGADMP COc1cc(Br)ccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000180932268 496204619 /nfs/dbraw/zinc/20/46/19/496204619.db2.gz XOUSKIBIVICMBY-GFCCVEGCSA-N 2 1 352.276 3.389 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccccc1 ZINC000177842984 496219601 /nfs/dbraw/zinc/21/96/01/496219601.db2.gz SHLLUSFXJUAENP-ICSRJNTNSA-N 2 1 360.546 3.053 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H](c1ccco1)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167053 496274245 /nfs/dbraw/zinc/27/42/45/496274245.db2.gz UJYQHYPURKTOFM-PKOBYXMFSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000175167053 496274247 /nfs/dbraw/zinc/27/42/47/496274247.db2.gz UJYQHYPURKTOFM-PKOBYXMFSA-N 2 1 372.513 3.092 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000175167053 496274251 /nfs/dbraw/zinc/27/42/51/496274251.db2.gz UJYQHYPURKTOFM-PKOBYXMFSA-N 2 1 372.513 3.092 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000162229857 496318619 /nfs/dbraw/zinc/31/86/19/496318619.db2.gz XOGLZDRCYUQQOJ-OAHLLOKOSA-N 2 1 370.497 3.430 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cncc(C)c2)CC1 ZINC000184282400 496319073 /nfs/dbraw/zinc/31/90/73/496319073.db2.gz UEFMMBGWGPTLLI-IBGZPJMESA-N 2 1 352.526 3.378 20 0 FGADMP COC1([C@@H](C)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881657 505837404 /nfs/dbraw/zinc/83/74/04/505837404.db2.gz WUEHYMYUZKFPOC-UYAOXDASSA-N 2 1 358.526 3.357 20 0 FGADMP COC1([C@@H](C)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCOCC1 ZINC000571881657 505837407 /nfs/dbraw/zinc/83/74/07/505837407.db2.gz WUEHYMYUZKFPOC-UYAOXDASSA-N 2 1 358.526 3.357 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)C12CCC2 ZINC000181573122 496451611 /nfs/dbraw/zinc/45/16/11/496451611.db2.gz RRDSNIQPDROFQF-DUXKGJEZSA-N 2 1 358.526 3.345 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)C12CCC2 ZINC000181573122 496451617 /nfs/dbraw/zinc/45/16/17/496451617.db2.gz RRDSNIQPDROFQF-DUXKGJEZSA-N 2 1 358.526 3.345 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000187465240 496453187 /nfs/dbraw/zinc/45/31/87/496453187.db2.gz SHCDQSXGDAOGNW-NRFANRHFSA-N 2 1 357.542 3.134 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000157480267 496484975 /nfs/dbraw/zinc/48/49/75/496484975.db2.gz WYLUYFDGAXTQMO-YLJYHZDGSA-N 2 1 371.529 3.210 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)c2ccccc2)cc1 ZINC000178637460 496525562 /nfs/dbraw/zinc/52/55/62/496525562.db2.gz NWOGJVNOEMMKLR-MRXNPFEDSA-N 2 1 369.490 3.305 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175785571 496544882 /nfs/dbraw/zinc/54/48/82/496544882.db2.gz UMWASCCGQSOVJE-JTJHWIPRSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000175785571 496544888 /nfs/dbraw/zinc/54/48/88/496544888.db2.gz UMWASCCGQSOVJE-JTJHWIPRSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000175785571 496544894 /nfs/dbraw/zinc/54/48/94/496544894.db2.gz UMWASCCGQSOVJE-JTJHWIPRSA-N 2 1 357.542 3.228 20 0 FGADMP COC[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1CCOCC1 ZINC000187771091 496565630 /nfs/dbraw/zinc/56/56/30/496565630.db2.gz VKZQIVYWIPLPBM-GCJKJVERSA-N 2 1 360.542 3.450 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000157873430 496574972 /nfs/dbraw/zinc/57/49/72/496574972.db2.gz MXJMMFNEGQEFFQ-LSDHHAIUSA-N 2 1 357.340 3.278 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000157927588 496586880 /nfs/dbraw/zinc/58/68/80/496586880.db2.gz GPKRMQJBXLKKHC-IRXDYDNUSA-N 2 1 367.559 3.221 20 0 FGADMP CC[C@](C)([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1nc(C)cs1 ZINC000184987615 496613402 /nfs/dbraw/zinc/61/34/02/496613402.db2.gz UHEDSKITQQVOSI-XLIONFOSSA-N 2 1 374.554 3.085 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000164727594 496629542 /nfs/dbraw/zinc/62/95/42/496629542.db2.gz UCZKOIAVMFNMAG-FVQBIDKESA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000164727594 496629549 /nfs/dbraw/zinc/62/95/49/496629549.db2.gz UCZKOIAVMFNMAG-FVQBIDKESA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H](C)C1 ZINC000187960030 496631564 /nfs/dbraw/zinc/63/15/64/496631564.db2.gz OZTGZOCRVXKYMN-OALUTQOASA-N 2 1 357.542 3.278 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1 ZINC000165109504 496648722 /nfs/dbraw/zinc/64/87/22/496648722.db2.gz CGEMERKIPFMBAD-INIZCTEOSA-N 2 1 354.498 3.480 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166444875 496686520 /nfs/dbraw/zinc/68/65/20/496686520.db2.gz AMLNBXHDIKTKSJ-YFVAEKQCSA-N 2 1 370.541 3.220 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc(Br)cc3)CC[C@@H]21 ZINC000166751944 496692523 /nfs/dbraw/zinc/69/25/23/496692523.db2.gz COJAKINEJSVCGE-PBHICJAKSA-N 2 1 353.304 3.244 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Br)cc3)CC[C@@H]21 ZINC000166751944 496692530 /nfs/dbraw/zinc/69/25/30/496692530.db2.gz COJAKINEJSVCGE-PBHICJAKSA-N 2 1 353.304 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182263588 496722618 /nfs/dbraw/zinc/72/26/18/496722618.db2.gz VHWWHPVRSBWOKM-LPHOPBHVSA-N 2 1 370.493 3.121 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+]1CCCC1 ZINC000182284862 496726052 /nfs/dbraw/zinc/72/60/52/496726052.db2.gz LNVFIKNLDIJZCF-AABGKKOBSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)c1 ZINC000246988207 496744656 /nfs/dbraw/zinc/74/46/56/496744656.db2.gz KBGVYCRPIOJRKW-MQSCRBSSSA-N 3 1 372.601 3.216 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)c1 ZINC000246988207 496744663 /nfs/dbraw/zinc/74/46/63/496744663.db2.gz KBGVYCRPIOJRKW-MQSCRBSSSA-N 2 1 372.601 3.216 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247019947 496754060 /nfs/dbraw/zinc/75/40/60/496754060.db2.gz MUVQGGHLJLQJAA-ZACQAIPSSA-N 2 1 365.493 3.022 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccs2)C[C@H]2CCCO2)CC1 ZINC000191410904 496754562 /nfs/dbraw/zinc/75/45/62/496754562.db2.gz WWIGMSMEZXZPCB-LJQANCHMSA-N 2 1 365.587 3.145 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000247049370 496762820 /nfs/dbraw/zinc/76/28/20/496762820.db2.gz NDKSUOAMZLCBDZ-IXDOHACOSA-N 2 1 367.559 3.077 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000191518992 496794650 /nfs/dbraw/zinc/79/46/50/496794650.db2.gz GGUYVNRBRNNHPZ-UHFFFAOYSA-N 2 1 362.905 3.127 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NCc1ccc(Cl)cc1 ZINC000191518992 496794657 /nfs/dbraw/zinc/79/46/57/496794657.db2.gz GGUYVNRBRNNHPZ-UHFFFAOYSA-N 2 1 362.905 3.127 20 0 FGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)c(OC)c1 ZINC000268851666 496804186 /nfs/dbraw/zinc/80/41/86/496804186.db2.gz FYCWCMDPBCUMHR-GOSISDBHSA-N 2 1 362.514 3.390 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268870020 496809270 /nfs/dbraw/zinc/80/92/70/496809270.db2.gz LGDQLGYGBRKSAA-CHWSQXEVSA-N 2 1 371.453 3.175 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000247223623 496809484 /nfs/dbraw/zinc/80/94/84/496809484.db2.gz CWUDZLXQHOTIFY-DOTOQJQBSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000247223623 496809490 /nfs/dbraw/zinc/80/94/90/496809490.db2.gz CWUDZLXQHOTIFY-DOTOQJQBSA-N 2 1 374.447 3.109 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000268913251 496821763 /nfs/dbraw/zinc/82/17/63/496821763.db2.gz OOUQLKAFVMJYBY-JKSUJKDBSA-N 2 1 361.486 3.212 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000277592442 496823316 /nfs/dbraw/zinc/82/33/16/496823316.db2.gz DJNZRGDPSHSPCU-UHFFFAOYSA-N 2 1 370.463 3.091 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940888 496829099 /nfs/dbraw/zinc/82/90/99/496829099.db2.gz SSDPYNHKWGCNDX-XMSQKQJNSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000195134418 496830500 /nfs/dbraw/zinc/83/05/00/496830500.db2.gz PEICGTNEGZFYNA-IEBWSBKVSA-N 2 1 372.534 3.263 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247342633 496840387 /nfs/dbraw/zinc/84/03/87/496840387.db2.gz GSLPHLRAJWICOU-IIDMSEBBSA-N 2 1 360.889 3.124 20 0 FGADMP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247427696 496856936 /nfs/dbraw/zinc/85/69/36/496856936.db2.gz VUHSUMJQWWJYQH-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247427705 496857434 /nfs/dbraw/zinc/85/74/34/496857434.db2.gz VUHSUMJQWWJYQH-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247473676 496867211 /nfs/dbraw/zinc/86/72/11/496867211.db2.gz SSOIBJAZDDPKAV-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247473676 496867217 /nfs/dbraw/zinc/86/72/17/496867217.db2.gz SSOIBJAZDDPKAV-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247473676 496867220 /nfs/dbraw/zinc/86/72/20/496867220.db2.gz SSOIBJAZDDPKAV-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC[NH+](C2CC2)CC1 ZINC000195389046 496909743 /nfs/dbraw/zinc/90/97/43/496909743.db2.gz QCFFBGZHOFAYBB-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)CC1 ZINC000273803271 496913498 /nfs/dbraw/zinc/91/34/98/496913498.db2.gz VXIFXBVRGDOJMZ-SFHVURJKSA-N 2 1 365.537 3.020 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971664 496935527 /nfs/dbraw/zinc/93/55/27/496935527.db2.gz HITLBRSBWUIGKS-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971664 496935531 /nfs/dbraw/zinc/93/55/31/496935531.db2.gz HITLBRSBWUIGKS-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971664 496935537 /nfs/dbraw/zinc/93/55/37/496935537.db2.gz HITLBRSBWUIGKS-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971664 496935541 /nfs/dbraw/zinc/93/55/41/496935541.db2.gz HITLBRSBWUIGKS-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(C(=O)N4CCCCC4)c3)CC[C@H]21 ZINC000247971664 496935548 /nfs/dbraw/zinc/93/55/48/496935548.db2.gz HITLBRSBWUIGKS-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195636023 496955937 /nfs/dbraw/zinc/95/59/37/496955937.db2.gz NKVGAFZQYVAJME-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195636023 496955945 /nfs/dbraw/zinc/95/59/45/496955945.db2.gz NKVGAFZQYVAJME-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc43)c2)C1 ZINC000248152076 496964333 /nfs/dbraw/zinc/96/43/33/496964333.db2.gz QWMXMSIPZKUMOS-IFMALSPDSA-N 2 1 363.505 3.161 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000248388501 496990026 /nfs/dbraw/zinc/99/00/26/496990026.db2.gz DXLDIWINAHGDRI-LAUBAEHRSA-N 2 1 366.509 3.390 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000278105051 497006763 /nfs/dbraw/zinc/00/67/63/497006763.db2.gz ZVKUDJRUUFWWOY-UHFFFAOYSA-N 2 1 374.529 3.252 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212896 505879341 /nfs/dbraw/zinc/87/93/41/505879341.db2.gz YYCNXKNWXVEVAL-GOTSBHOMSA-N 2 1 352.522 3.134 20 0 FGADMP COc1cccc(C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)c1 ZINC000269882440 497017532 /nfs/dbraw/zinc/01/75/32/497017532.db2.gz SMOLCNUYFSNBFD-NRFANRHFSA-N 2 1 358.526 3.251 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000248545431 497035756 /nfs/dbraw/zinc/03/57/56/497035756.db2.gz DJJKHNLVOKDSNE-ZWKOTPCHSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000248545431 497035757 /nfs/dbraw/zinc/03/57/57/497035757.db2.gz DJJKHNLVOKDSNE-ZWKOTPCHSA-N 2 1 366.933 3.196 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248645690 497070544 /nfs/dbraw/zinc/07/05/44/497070544.db2.gz GRZWYACZLACAFY-SRHPJPHMSA-N 2 1 356.510 3.218 20 0 FGADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352605 497083943 /nfs/dbraw/zinc/08/39/43/497083943.db2.gz AWOKRJVOIIRMND-IAGOWNOFSA-N 2 1 350.503 3.164 20 0 FGADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@H]1CCCC[NH2+]1 ZINC000578194315 505883815 /nfs/dbraw/zinc/88/38/15/505883815.db2.gz UCFXJQFNWIQWCM-QGZVFWFLSA-N 2 1 370.324 3.216 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000248768677 497101859 /nfs/dbraw/zinc/10/18/59/497101859.db2.gz PQVAIDXWZMJSSY-KBPBESRZSA-N 2 1 369.303 3.183 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000248768677 497101860 /nfs/dbraw/zinc/10/18/60/497101860.db2.gz PQVAIDXWZMJSSY-KBPBESRZSA-N 2 1 369.303 3.183 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414763 497123089 /nfs/dbraw/zinc/12/30/89/497123089.db2.gz CVFKPYUJDXQPDA-JSGCOSHPSA-N 2 1 360.329 3.463 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236756388 497141415 /nfs/dbraw/zinc/14/14/15/497141415.db2.gz ZZNXWGJCRLANFH-BHYGNILZSA-N 2 1 371.447 3.188 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042953 497153001 /nfs/dbraw/zinc/15/30/01/497153001.db2.gz VJZUVCGRUWAYAB-NHCUHLMSSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042953 497153006 /nfs/dbraw/zinc/15/30/06/497153006.db2.gz VJZUVCGRUWAYAB-NHCUHLMSSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000249042953 497153010 /nfs/dbraw/zinc/15/30/10/497153010.db2.gz VJZUVCGRUWAYAB-NHCUHLMSSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177552 497179059 /nfs/dbraw/zinc/17/90/59/497179059.db2.gz GBJLAPZGWMNJIG-ZFWWWQNUSA-N 2 1 373.310 3.476 20 0 FGADMP C[C@@H](CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237296789 497216485 /nfs/dbraw/zinc/21/64/85/497216485.db2.gz ISZUQKCLBIHTRT-GHTZIAJQSA-N 2 1 357.542 3.135 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)CCn1c3ccccc3nc1C1CC1)CC2 ZINC000574966484 505892886 /nfs/dbraw/zinc/89/28/86/505892886.db2.gz MJBCGUOQLZHWCI-UHFFFAOYSA-N 2 1 366.509 3.391 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000574968594 505893586 /nfs/dbraw/zinc/89/35/86/505893586.db2.gz CVSHWSLNFHKOQR-DLBZAZTESA-N 2 1 366.575 3.305 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000271015062 497247102 /nfs/dbraw/zinc/24/71/02/497247102.db2.gz MYBBIUIPHISCRK-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1cccc(Br)c1 ZINC000271015062 497247107 /nfs/dbraw/zinc/24/71/07/497247107.db2.gz MYBBIUIPHISCRK-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000271035700 497250721 /nfs/dbraw/zinc/25/07/21/497250721.db2.gz JSECGCWPXYCVJR-UHFFFAOYSA-N 2 1 370.497 3.153 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000271035700 497250726 /nfs/dbraw/zinc/25/07/26/497250726.db2.gz JSECGCWPXYCVJR-UHFFFAOYSA-N 2 1 370.497 3.153 20 0 FGADMP CC(C)C(=O)NC1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000271053391 497254450 /nfs/dbraw/zinc/25/44/50/497254450.db2.gz RBNAKMQKCMUZRM-UHFFFAOYSA-N 2 1 359.558 3.381 20 0 FGADMP CC(C)C(=O)NC1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000271053391 497254454 /nfs/dbraw/zinc/25/44/54/497254454.db2.gz RBNAKMQKCMUZRM-UHFFFAOYSA-N 2 1 359.558 3.381 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)[NH+]2CCCC2)cc1 ZINC000237645724 497268820 /nfs/dbraw/zinc/26/88/20/497268820.db2.gz CBKWTBNYJBGXMO-VXKWHMMOSA-N 2 1 363.505 3.135 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000278968364 497285836 /nfs/dbraw/zinc/28/58/36/497285836.db2.gz NEXMFLYDUMINPA-SJORKVTESA-N 2 1 365.481 3.109 20 0 FGADMP [NH3+][C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)c1ccccc1 ZINC000237903708 497311502 /nfs/dbraw/zinc/31/15/02/497311502.db2.gz JJFXVCRDGJJLJN-SFHVURJKSA-N 2 1 355.507 3.264 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000266455669 497346609 /nfs/dbraw/zinc/34/66/09/497346609.db2.gz DAKFRMPFXPDVHJ-UHFFFAOYSA-N 2 1 371.529 3.313 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000271485110 497360310 /nfs/dbraw/zinc/36/03/10/497360310.db2.gz JPNSUTTZTCLLQE-SAWYMBPVSA-N 2 1 365.477 3.316 20 0 FGADMP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000279209921 497368633 /nfs/dbraw/zinc/36/86/33/497368633.db2.gz OZOJHDNKZOPQPO-OAQYLSRUSA-N 2 1 370.541 3.030 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558919 497383031 /nfs/dbraw/zinc/38/30/31/497383031.db2.gz WLVTWIVGHCHECA-OKZBNKHCSA-N 2 1 350.503 3.330 20 0 FGADMP O=C(Nc1ccc(Cl)cn1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000193474491 497389840 /nfs/dbraw/zinc/38/98/40/497389840.db2.gz NTCUTDUUVMJYIV-MRXNPFEDSA-N 2 1 364.921 3.262 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414096 497394158 /nfs/dbraw/zinc/39/41/58/497394158.db2.gz CBCSJPHYZLMAGG-YOEHRIQHSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414096 497394160 /nfs/dbraw/zinc/39/41/60/497394160.db2.gz CBCSJPHYZLMAGG-YOEHRIQHSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@@H](C)C1 ZINC000245414096 497394165 /nfs/dbraw/zinc/39/41/65/497394165.db2.gz CBCSJPHYZLMAGG-YOEHRIQHSA-N 2 1 367.921 3.339 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405186 /nfs/dbraw/zinc/40/51/86/497405186.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405191 /nfs/dbraw/zinc/40/51/91/497405191.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436384 497405195 /nfs/dbraw/zinc/40/51/95/497405195.db2.gz DHOIHUBNFVZMMF-RTBURBONSA-N 2 1 365.521 3.429 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000245440521 497407830 /nfs/dbraw/zinc/40/78/30/497407830.db2.gz UOUMHKYFPZHDHS-RKVPGOIHSA-N 2 1 351.922 3.179 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245440735 497408582 /nfs/dbraw/zinc/40/85/82/497408582.db2.gz UVKBTPXUUFWYMA-CVEARBPZSA-N 2 1 367.484 3.148 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000275709836 497410415 /nfs/dbraw/zinc/41/04/15/497410415.db2.gz UNOIDRIYRVZBHI-GHTZIAJQSA-N 2 1 370.541 3.271 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000245469074 497421521 /nfs/dbraw/zinc/42/15/21/497421521.db2.gz LLDPWCNVCBJFSH-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245552678 497452899 /nfs/dbraw/zinc/45/28/99/497452899.db2.gz QPGYQYWBZVVJEK-CSNJMZFVSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NCCCCNc2ccccn2)[C@H]1c1ccccc1 ZINC000245610445 497472163 /nfs/dbraw/zinc/47/21/63/497472163.db2.gz BKGQTOPSRNKSTQ-UYAOXDASSA-N 2 1 367.497 3.018 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000261928595 497477691 /nfs/dbraw/zinc/47/76/91/497477691.db2.gz SLJXGHOEALIYDJ-TYNCELHUSA-N 2 1 356.297 3.381 20 0 FGADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](CCC(=O)N1CC[NH2+]CC1)C1CC1 ZINC000262048209 497498630 /nfs/dbraw/zinc/49/86/30/497498630.db2.gz IDALRFRHYVHBRC-CQSZACIVSA-N 2 1 369.431 3.053 20 0 FGADMP C[C@]1(C[N@H+]2CCC[C@@H](Nc3cccc(Br)c3)C2)CC[NH2+]C1 ZINC000262080894 497505032 /nfs/dbraw/zinc/50/50/32/497505032.db2.gz TTZSGCKVBILMTH-SJORKVTESA-N 2 1 352.320 3.325 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCC4(CC2)OCCO4)C3)cc1 ZINC000245729435 497519678 /nfs/dbraw/zinc/51/96/78/497519678.db2.gz PZANBLNZXQCDMJ-WKCHPHFGSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@H](c1ccc(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])cc1)[NH+]1CCOCC1 ZINC000262234710 497527621 /nfs/dbraw/zinc/52/76/21/497527621.db2.gz HFUKGPYSLPRXQF-XHNZRGJOSA-N 2 1 371.525 3.172 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193982072 497538641 /nfs/dbraw/zinc/53/86/41/497538641.db2.gz AEYUJFKJALJQIK-GOSISDBHSA-N 2 1 366.347 3.054 20 0 FGADMP CCOc1c(OC)cc(CN(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000245794007 497540144 /nfs/dbraw/zinc/54/01/44/497540144.db2.gz WOLIXFJKCIRCBM-RDJZCZTQSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245794007 497540147 /nfs/dbraw/zinc/54/01/47/497540147.db2.gz WOLIXFJKCIRCBM-RDJZCZTQSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245794007 497540149 /nfs/dbraw/zinc/54/01/49/497540149.db2.gz WOLIXFJKCIRCBM-RDJZCZTQSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000245794007 497540154 /nfs/dbraw/zinc/54/01/54/497540154.db2.gz WOLIXFJKCIRCBM-RDJZCZTQSA-N 2 1 350.503 3.265 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000245882370 497559449 /nfs/dbraw/zinc/55/94/49/497559449.db2.gz IIAPHRFXRSLOIY-NHCUHLMSSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000245885042 497560382 /nfs/dbraw/zinc/56/03/82/497560382.db2.gz OKGGXUPBDZMKEO-SJLPKXTDSA-N 2 1 374.554 3.171 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000245967422 497587206 /nfs/dbraw/zinc/58/72/06/497587206.db2.gz VSXAKJSMKGCLNO-CEXWTWQISA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000272309995 497593598 /nfs/dbraw/zinc/59/35/98/497593598.db2.gz OUABZDUXBKNRPA-VQTJNVASSA-N 2 1 374.525 3.109 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000262667409 497595711 /nfs/dbraw/zinc/59/57/11/497595711.db2.gz QAXJPIBFTVVHKX-QFIPXVFZSA-N 2 1 365.521 3.365 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132704 505917193 /nfs/dbraw/zinc/91/71/93/505917193.db2.gz MMNKSXQFBSXUPF-XMSQKQJNSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334209 505917537 /nfs/dbraw/zinc/91/75/37/505917537.db2.gz CZKOWRIZTIJJFT-CNNODRBYSA-N 2 1 357.542 3.134 20 0 FGADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000272390039 497615825 /nfs/dbraw/zinc/61/58/25/497615825.db2.gz ISKBOIWIFNERMF-TZIWHRDSSA-N 2 1 370.541 3.273 20 0 FGADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000246223952 497667768 /nfs/dbraw/zinc/66/77/68/497667768.db2.gz GYXPXCQFPJNJNR-ZODLZSARSA-N 2 1 367.537 3.219 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268049212 497667993 /nfs/dbraw/zinc/66/79/93/497667993.db2.gz ZJRDHVPKURTFOF-SFHVURJKSA-N 2 1 364.534 3.007 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(C)(C)C ZINC000246338021 497699712 /nfs/dbraw/zinc/69/97/12/497699712.db2.gz LMJAKCSICAKDOB-WDSOQIARSA-N 2 1 364.578 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335585 497699998 /nfs/dbraw/zinc/69/99/98/497699998.db2.gz DGUCNUIKDHHUAF-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335585 497700001 /nfs/dbraw/zinc/70/00/01/497700001.db2.gz DGUCNUIKDHHUAF-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000246335585 497700004 /nfs/dbraw/zinc/70/00/04/497700004.db2.gz DGUCNUIKDHHUAF-HKUYNNGSSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246343964 497702385 /nfs/dbraw/zinc/70/23/85/497702385.db2.gz FAFBCAOIQBRRSL-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246346856 497703277 /nfs/dbraw/zinc/70/32/77/497703277.db2.gz FGSWSACDYLLAQS-TYPHKJRUSA-N 2 1 355.526 3.155 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246346856 497703280 /nfs/dbraw/zinc/70/32/80/497703280.db2.gz FGSWSACDYLLAQS-TYPHKJRUSA-N 2 1 355.526 3.155 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1F ZINC000246383570 497716164 /nfs/dbraw/zinc/71/61/64/497716164.db2.gz KGAXXMWJYNOUGM-GDIGMMSISA-N 2 1 350.478 3.253 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)C1 ZINC000263169132 497722777 /nfs/dbraw/zinc/72/27/77/497722777.db2.gz FNADFPMSFNJZKX-QGZVFWFLSA-N 2 1 359.514 3.126 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1Cl ZINC000277046020 497724761 /nfs/dbraw/zinc/72/47/61/497724761.db2.gz CCEMYGMPFRUOTE-HNNXBMFYSA-N 2 1 353.894 3.093 20 0 FGADMP C[C@@H]1CC(O)C[C@H](C)[N@@H+]1Cc1cccc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159054 497728499 /nfs/dbraw/zinc/72/84/99/497728499.db2.gz KYCGOZJJIXMIQK-FJSYBUAGSA-N 2 1 360.542 3.154 20 0 FGADMP CCN(CCCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246446420 497737699 /nfs/dbraw/zinc/73/76/99/497737699.db2.gz NXZLHCNLOSNCDL-ICSRJNTNSA-N 2 1 360.546 3.275 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000263263930 497745340 /nfs/dbraw/zinc/74/53/40/497745340.db2.gz RHTMMHHYOYBKMY-RZUBCFFCSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263281771 497748187 /nfs/dbraw/zinc/74/81/87/497748187.db2.gz UJSBWRCTYZCJTD-NQSCKRDGSA-N 2 1 357.542 3.442 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000246489064 497750724 /nfs/dbraw/zinc/75/07/24/497750724.db2.gz WCEYNTHKPFERNX-RCCFBDPRSA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000246489064 497750731 /nfs/dbraw/zinc/75/07/31/497750731.db2.gz WCEYNTHKPFERNX-RCCFBDPRSA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000246489064 497750736 /nfs/dbraw/zinc/75/07/36/497750736.db2.gz WCEYNTHKPFERNX-RCCFBDPRSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000246510136 497759121 /nfs/dbraw/zinc/75/91/21/497759121.db2.gz TYEGTJCSGHPTHR-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000246559127 497774200 /nfs/dbraw/zinc/77/42/00/497774200.db2.gz ZBDGJOLBJQTWGL-PZJWPPBQSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000246575079 497779581 /nfs/dbraw/zinc/77/95/81/497779581.db2.gz VIQOEPZTUYJIFZ-XMSQKQJNSA-N 2 1 365.521 3.420 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1ccc(-c2ccccc2)o1 ZINC000273099743 497798949 /nfs/dbraw/zinc/79/89/49/497798949.db2.gz IALYFDOWOIMLKD-UHFFFAOYSA-N 2 1 355.482 3.045 20 0 FGADMP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246928906 497820828 /nfs/dbraw/zinc/82/08/28/497820828.db2.gz SXSXMTLYAFLUOV-LMNJBCLMSA-N 2 1 359.558 3.330 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc(CN3CCCC3)on2)c1 ZINC000292000506 497833745 /nfs/dbraw/zinc/83/37/45/497833745.db2.gz SRCDICLKKDFKHQ-UHFFFAOYSA-N 2 1 370.497 3.041 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000292000506 497833751 /nfs/dbraw/zinc/83/37/51/497833751.db2.gz SRCDICLKKDFKHQ-UHFFFAOYSA-N 2 1 370.497 3.041 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000292000506 497833757 /nfs/dbraw/zinc/83/37/57/497833757.db2.gz SRCDICLKKDFKHQ-UHFFFAOYSA-N 2 1 370.497 3.041 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2coc(C[NH3+])c2)[C@@H]1c1cccc(Cl)c1 ZINC000364218687 497845122 /nfs/dbraw/zinc/84/51/22/497845122.db2.gz XBJYPFVKQAUTKS-KSSFIOAISA-N 2 1 361.873 3.205 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3ccc(O)cc32)c2cccs2)CC1 ZINC000572301239 505937101 /nfs/dbraw/zinc/93/71/01/505937101.db2.gz OUAGAEYYDVXUTG-PMACEKPBSA-N 2 1 371.550 3.409 20 0 FGADMP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268971 497872063 /nfs/dbraw/zinc/87/20/63/497872063.db2.gz XZVKXQABLVKFEW-VQIMIIECSA-N 2 1 354.502 3.002 20 0 FGADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443428 505941264 /nfs/dbraw/zinc/94/12/64/505941264.db2.gz UIXBPAAZOGEYMC-NRFANRHFSA-N 2 1 365.521 3.486 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1OC ZINC000280771750 497892958 /nfs/dbraw/zinc/89/29/58/497892958.db2.gz FDZYGPUQLYIALU-LMMKCTJWSA-N 2 1 364.530 3.022 20 0 FGADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000575243583 505950233 /nfs/dbraw/zinc/95/02/33/505950233.db2.gz OTXOCNJJJYDMNV-GPJHCHHRSA-N 2 1 365.521 3.400 20 0 FGADMP CCc1cccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000364393871 497936601 /nfs/dbraw/zinc/93/66/01/497936601.db2.gz UQJICVDSPYJDGG-LJQANCHMSA-N 2 1 351.498 3.492 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000280898725 497942373 /nfs/dbraw/zinc/94/23/73/497942373.db2.gz FPVMROPVLIMKKI-YSFYHYPLSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077392 498011545 /nfs/dbraw/zinc/01/15/45/498011545.db2.gz UFBKNOOEYUJCNG-MDNKFWRPSA-N 2 1 354.498 3.419 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000364551833 498018786 /nfs/dbraw/zinc/01/87/86/498018786.db2.gz UGYBUFYDOODADE-SFHVURJKSA-N 2 1 360.546 3.293 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCCCS(C)(=O)=O)CC1 ZINC000285237172 498029839 /nfs/dbraw/zinc/02/98/39/498029839.db2.gz PMJPHEBDYZYYDM-UHFFFAOYSA-N 2 1 366.571 3.234 20 0 FGADMP Clc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000569605565 505974800 /nfs/dbraw/zinc/97/48/00/505974800.db2.gz MWTRJKNCVOUTNO-NUEKZKHPSA-N 2 1 373.722 3.349 20 0 FGADMP C[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285491046 498104618 /nfs/dbraw/zinc/10/46/18/498104618.db2.gz MBTRZHHIRKRJMD-WFVVYAPDSA-N 2 1 372.431 3.002 20 0 FGADMP C[N@@H+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285491046 498104611 /nfs/dbraw/zinc/10/46/11/498104611.db2.gz MBTRZHHIRKRJMD-WFVVYAPDSA-N 2 1 372.431 3.002 20 0 FGADMP C[NH+](C[C@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285491046 498104623 /nfs/dbraw/zinc/10/46/23/498104623.db2.gz MBTRZHHIRKRJMD-WFVVYAPDSA-N 2 1 372.431 3.002 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578627869 505984671 /nfs/dbraw/zinc/98/46/71/505984671.db2.gz HJNRCUDGLQNGBX-RCCFBDPRSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578627869 505984675 /nfs/dbraw/zinc/98/46/75/505984675.db2.gz HJNRCUDGLQNGBX-RCCFBDPRSA-N 2 1 367.896 3.261 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)C2)s1 ZINC000578634070 505986205 /nfs/dbraw/zinc/98/62/05/505986205.db2.gz JNBCVCFRRIDFKY-JZXOWHBKSA-N 2 1 363.571 3.210 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578652727 505989830 /nfs/dbraw/zinc/98/98/30/505989830.db2.gz VSVGIAKLTFASCA-KFWWJZLASA-N 2 1 369.431 3.354 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)nc1 ZINC000285716959 498179631 /nfs/dbraw/zinc/17/96/31/498179631.db2.gz SSIDLPNJSQYQPC-GOSISDBHSA-N 2 1 364.449 3.191 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289588440 498206151 /nfs/dbraw/zinc/20/61/51/498206151.db2.gz TZTPMEQLKHPUKY-LBPRGKRZSA-N 2 1 362.275 3.028 20 0 FGADMP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975395 498219720 /nfs/dbraw/zinc/21/97/20/498219720.db2.gz QKVADTMLVXKXLJ-MAUKXSAKSA-N 2 1 371.481 3.285 20 0 FGADMP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)oc1C ZINC000292975395 498219724 /nfs/dbraw/zinc/21/97/24/498219724.db2.gz QKVADTMLVXKXLJ-MAUKXSAKSA-N 2 1 371.481 3.285 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285865527 498223856 /nfs/dbraw/zinc/22/38/56/498223856.db2.gz YPYNGUWPSCTLLJ-BRWVUGGUSA-N 2 1 354.498 3.099 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000296865246 498228710 /nfs/dbraw/zinc/22/87/10/498228710.db2.gz GUTAUZXZFPXVBN-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP CC(C)N1CCc2nc(CN3CC[C@H](C(C)(C)C)[C@H](O)C3)sc2C1 ZINC000359963191 498231241 /nfs/dbraw/zinc/23/12/41/498231241.db2.gz YFBOPPUIZYYMCJ-GOEBONIOSA-N 2 1 351.560 3.139 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000286028775 498272585 /nfs/dbraw/zinc/27/25/85/498272585.db2.gz JAOVTHJKGFQEEA-MYDTUXCISA-N 2 1 372.553 3.054 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)sc2C1 ZINC000365049433 498272638 /nfs/dbraw/zinc/27/26/38/498272638.db2.gz YTTNGDPDCZCPII-UHFFFAOYSA-N 2 1 370.522 3.369 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)sc2C1 ZINC000365049433 498272640 /nfs/dbraw/zinc/27/26/40/498272640.db2.gz YTTNGDPDCZCPII-UHFFFAOYSA-N 2 1 370.522 3.369 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661593 498294201 /nfs/dbraw/zinc/29/42/01/498294201.db2.gz LEGAHGDVHCFYAU-SIKLNZKXSA-N 2 1 357.542 3.438 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360717843 498302046 /nfs/dbraw/zinc/30/20/46/498302046.db2.gz XHSQFHQCFREVGO-XBLMQXIHSA-N 2 1 355.448 3.312 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000360717843 498302053 /nfs/dbraw/zinc/30/20/53/498302053.db2.gz XHSQFHQCFREVGO-XBLMQXIHSA-N 2 1 355.448 3.312 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289828068 498312042 /nfs/dbraw/zinc/31/20/42/498312042.db2.gz QDXUTAKOQROCEC-VOBGVNJCSA-N 2 1 353.514 3.187 20 0 FGADMP Cc1cc([C@@H]2CCCN2C[C@@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575840401 506014595 /nfs/dbraw/zinc/01/45/95/506014595.db2.gz REJSHFPJZMSKLO-WMZOPIPTSA-N 2 1 367.331 3.350 20 0 FGADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207108 498351370 /nfs/dbraw/zinc/35/13/70/498351370.db2.gz JYYDWOCFVRHTCG-QZTJIDSGSA-N 2 1 361.534 3.085 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207108 498351379 /nfs/dbraw/zinc/35/13/79/498351379.db2.gz JYYDWOCFVRHTCG-QZTJIDSGSA-N 2 1 361.534 3.085 20 0 FGADMP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207110 498351988 /nfs/dbraw/zinc/35/19/88/498351988.db2.gz JYYDWOCFVRHTCG-ZWKOTPCHSA-N 2 1 361.534 3.085 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207110 498351996 /nfs/dbraw/zinc/35/19/96/498351996.db2.gz JYYDWOCFVRHTCG-ZWKOTPCHSA-N 2 1 361.534 3.085 20 0 FGADMP Fc1ccc(-n2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811129 506021676 /nfs/dbraw/zinc/02/16/76/506021676.db2.gz LSLWCROXENFFBA-SJORKVTESA-N 2 1 368.500 3.322 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978540 498379212 /nfs/dbraw/zinc/37/92/12/498379212.db2.gz XSCVIMFWVTXIRP-JZXOWHBKSA-N 2 1 350.503 3.188 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)c(O)c2)[C@@H](C)C1 ZINC000289978540 498379222 /nfs/dbraw/zinc/37/92/22/498379222.db2.gz XSCVIMFWVTXIRP-JZXOWHBKSA-N 2 1 350.503 3.188 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000361366409 498379664 /nfs/dbraw/zinc/37/96/64/498379664.db2.gz SCKDLGANLNNGSJ-FQEVSTJZSA-N 2 1 372.944 3.490 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000361366409 498379665 /nfs/dbraw/zinc/37/96/65/498379665.db2.gz SCKDLGANLNNGSJ-FQEVSTJZSA-N 2 1 372.944 3.490 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000289984601 498381851 /nfs/dbraw/zinc/38/18/51/498381851.db2.gz YATSNUPKWJSSTL-KSEOMHKRSA-N 2 1 369.553 3.134 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(O)c1Cl ZINC000293473849 498396294 /nfs/dbraw/zinc/39/62/94/498396294.db2.gz FDDDTQBXEKXADY-ROUUACIJSA-N 2 1 360.885 3.018 20 0 FGADMP CCN(CC)[C@@H](CNC(=O)N1CC(C)(C)[C@H]1c1nccn1C)c1ccco1 ZINC000297355223 498416599 /nfs/dbraw/zinc/41/65/99/498416599.db2.gz UYESENYMTSDAQR-DOTOQJQBSA-N 2 1 373.501 3.189 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000362104516 498464807 /nfs/dbraw/zinc/46/48/07/498464807.db2.gz YBLWGLVAIKBIRT-NRFANRHFSA-N 2 1 372.557 3.475 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000293757345 498479723 /nfs/dbraw/zinc/47/97/23/498479723.db2.gz YQSIWABUYBUCCX-QFBILLFUSA-N 2 1 365.477 3.160 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[N@H+]1Cc1ccccc1 ZINC000293757345 498479728 /nfs/dbraw/zinc/47/97/28/498479728.db2.gz YQSIWABUYBUCCX-QFBILLFUSA-N 2 1 365.477 3.160 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875209 506042217 /nfs/dbraw/zinc/04/22/17/506042217.db2.gz MTOKIUGZISLAHW-MJGOQNOKSA-N 2 1 363.571 3.211 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875209 506042218 /nfs/dbraw/zinc/04/22/18/506042218.db2.gz MTOKIUGZISLAHW-MJGOQNOKSA-N 2 1 363.571 3.211 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362689203 498539143 /nfs/dbraw/zinc/53/91/43/498539143.db2.gz OZULYIOHBXIMBF-RZFLPCETSA-N 2 1 352.544 3.039 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362689203 498539148 /nfs/dbraw/zinc/53/91/48/498539148.db2.gz OZULYIOHBXIMBF-RZFLPCETSA-N 2 1 352.544 3.039 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000290433240 498550180 /nfs/dbraw/zinc/55/01/80/498550180.db2.gz VFRXEKKSYGBZRD-VLXBDIDVSA-N 2 1 364.489 3.266 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000290433240 498550185 /nfs/dbraw/zinc/55/01/85/498550185.db2.gz VFRXEKKSYGBZRD-VLXBDIDVSA-N 2 1 364.489 3.266 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290466185 498563469 /nfs/dbraw/zinc/56/34/69/498563469.db2.gz UKOMCKPMPGLIFV-WBVHZDCISA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290466185 498563477 /nfs/dbraw/zinc/56/34/77/498563477.db2.gz UKOMCKPMPGLIFV-WBVHZDCISA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290466171 498563620 /nfs/dbraw/zinc/56/36/20/498563620.db2.gz UKOMCKPMPGLIFV-NVXWUHKLSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(C2OCCO2)s1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290466171 498563626 /nfs/dbraw/zinc/56/36/26/498563626.db2.gz UKOMCKPMPGLIFV-NVXWUHKLSA-N 2 1 373.522 3.189 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282578397 498567746 /nfs/dbraw/zinc/56/77/46/498567746.db2.gz VTSPLTGRMUXKLC-IBGZPJMESA-N 2 1 368.525 3.320 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000282578397 498567753 /nfs/dbraw/zinc/56/77/53/498567753.db2.gz VTSPLTGRMUXKLC-IBGZPJMESA-N 2 1 368.525 3.320 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)cc1 ZINC000581732903 506055782 /nfs/dbraw/zinc/05/57/82/506055782.db2.gz UZXOEAPGJVGFDE-GOSISDBHSA-N 2 1 367.484 3.286 20 0 FGADMP C[C@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282592206 498573886 /nfs/dbraw/zinc/57/38/86/498573886.db2.gz LUQOXBJIMKWFBO-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1F ZINC000294165417 498608036 /nfs/dbraw/zinc/60/80/36/498608036.db2.gz WEYKIAHGDYDQDM-JWTNVVGKSA-N 2 1 350.478 3.298 20 0 FGADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1F ZINC000294165417 498608039 /nfs/dbraw/zinc/60/80/39/498608039.db2.gz WEYKIAHGDYDQDM-JWTNVVGKSA-N 2 1 350.478 3.298 20 0 FGADMP CCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1F ZINC000294165417 498608067 /nfs/dbraw/zinc/60/80/67/498608067.db2.gz WEYKIAHGDYDQDM-JWTNVVGKSA-N 2 1 350.478 3.298 20 0 FGADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]C1 ZINC000581806445 506066790 /nfs/dbraw/zinc/06/67/90/506066790.db2.gz LKGJLWAANXGMHO-GOSISDBHSA-N 2 1 370.324 3.074 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2COC4(CCCC4)O2)C3)cc1 ZINC000365827003 498656678 /nfs/dbraw/zinc/65/66/78/498656678.db2.gz RJHJCQYPBJTOPC-BURNTYAHSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240092 498657212 /nfs/dbraw/zinc/65/72/12/498657212.db2.gz IZULLISGXOMYNB-GHTZIAJQSA-N 2 1 372.557 3.242 20 0 FGADMP CC[C@H]1C[C@@H](C)CN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365843993 498666917 /nfs/dbraw/zinc/66/69/17/498666917.db2.gz SDNGHIVLFLUTQT-MJGOQNOKSA-N 2 1 364.578 3.013 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)Nc1ccsc1 ZINC000363161475 498680079 /nfs/dbraw/zinc/68/00/79/498680079.db2.gz WRGSIVRARMRPAJ-UHFFFAOYSA-N 2 1 364.559 3.408 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)CC1 ZINC000363170159 498684375 /nfs/dbraw/zinc/68/43/75/498684375.db2.gz DDFLRHGCYPQEOH-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363170159 498684381 /nfs/dbraw/zinc/68/43/81/498684381.db2.gz DDFLRHGCYPQEOH-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000363170159 498684385 /nfs/dbraw/zinc/68/43/85/498684385.db2.gz DDFLRHGCYPQEOH-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312737014 498763918 /nfs/dbraw/zinc/76/39/18/498763918.db2.gz XEDVMHRWKDIIEY-YADHBBJMSA-N 2 1 368.521 3.100 20 0 FGADMP CCOc1c(Br)cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000316807042 498789587 /nfs/dbraw/zinc/78/95/87/498789587.db2.gz PMFVNNJVICRHNA-TZMCWYRMSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000316807042 498789594 /nfs/dbraw/zinc/78/95/94/498789594.db2.gz PMFVNNJVICRHNA-TZMCWYRMSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000316807042 498789605 /nfs/dbraw/zinc/78/96/05/498789605.db2.gz PMFVNNJVICRHNA-TZMCWYRMSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000316807042 498789611 /nfs/dbraw/zinc/78/96/11/498789611.db2.gz PMFVNNJVICRHNA-TZMCWYRMSA-N 2 1 371.319 3.429 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098763 506090640 /nfs/dbraw/zinc/09/06/40/506090640.db2.gz WKHHPVAJVQXRTB-WMZOPIPTSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098763 506090645 /nfs/dbraw/zinc/09/06/45/506090645.db2.gz WKHHPVAJVQXRTB-WMZOPIPTSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCC[C@@H]3C)C2)s1 ZINC000570098763 506090650 /nfs/dbraw/zinc/09/06/50/506090650.db2.gz WKHHPVAJVQXRTB-WMZOPIPTSA-N 2 1 363.571 3.211 20 0 FGADMP FC(F)(F)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000287569084 498799818 /nfs/dbraw/zinc/79/98/18/498799818.db2.gz GRFOYQNJAKVXKS-QZTJIDSGSA-N 2 1 356.432 3.393 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)Oc1ccccc1F ZINC000366212150 498826023 /nfs/dbraw/zinc/82/60/23/498826023.db2.gz UKNHSOXZBXVJIJ-VXIBKDFQSA-N 2 1 350.478 3.072 20 0 FGADMP OC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOCC1 ZINC000287692512 498839283 /nfs/dbraw/zinc/83/92/83/498839283.db2.gz WTLMVABSGNTKKF-YPAWHYETSA-N 2 1 372.553 3.198 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963267 506101012 /nfs/dbraw/zinc/10/10/12/506101012.db2.gz SWKCLSYDQYAOQP-YZGWKJHDSA-N 2 1 352.478 3.469 20 0 FGADMP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000366291882 498862290 /nfs/dbraw/zinc/86/22/90/498862290.db2.gz YZFZNKAYZYPVKA-IAGOWNOFSA-N 2 1 371.529 3.357 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000576225606 506107167 /nfs/dbraw/zinc/10/71/67/506107167.db2.gz XZNYWRGEJJYJRT-SFTDATJTSA-N 2 1 357.542 3.380 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366332256 498878173 /nfs/dbraw/zinc/87/81/73/498878173.db2.gz YVTIRGPGCVJGTA-BHIYHBOVSA-N 2 1 357.885 3.149 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000363562133 498879891 /nfs/dbraw/zinc/87/98/91/498879891.db2.gz IZZNQRQGIMFVDT-RBUKOAKNSA-N 2 1 373.566 3.357 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000328638190 498884996 /nfs/dbraw/zinc/88/49/96/498884996.db2.gz PBAPFSRNAVFJON-LMCOJAPRSA-N 2 1 360.546 3.366 20 0 FGADMP Cn1cc(-c2ncc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cn2)cn1 ZINC000366347549 498885105 /nfs/dbraw/zinc/88/51/05/498885105.db2.gz TWCWRZNMLZKQHV-UHFFFAOYSA-N 2 1 356.518 3.011 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2ccnc(OC)c2)CC1 ZINC000570175816 506109045 /nfs/dbraw/zinc/10/90/45/506109045.db2.gz LZZBHJWJCNRUCS-GOSISDBHSA-N 2 1 368.525 3.079 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416038 498915949 /nfs/dbraw/zinc/91/59/49/498915949.db2.gz DJUOSHBIGBGPAP-PCODUJHASA-N 2 1 363.933 3.227 20 0 FGADMP COc1ccc([C@H](CCn2cncn2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366438369 498927664 /nfs/dbraw/zinc/92/76/64/498927664.db2.gz YTBILSWSNGBIEU-GRERDSQWSA-N 2 1 369.513 3.025 20 0 FGADMP COCc1cccc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000363660545 498929615 /nfs/dbraw/zinc/92/96/15/498929615.db2.gz FSEAPXDGGFXUDG-UHFFFAOYSA-N 3 1 359.558 3.119 20 0 FGADMP Cn1c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)nc2ccccc21 ZINC000283809497 498988663 /nfs/dbraw/zinc/98/86/63/498988663.db2.gz BJXGUUQHFAGAFC-UHFFFAOYSA-N 2 1 364.493 3.336 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)NC2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000284328846 499088931 /nfs/dbraw/zinc/08/89/31/499088931.db2.gz KPWIJCRGFZAXIZ-GOSISDBHSA-N 2 1 373.463 3.304 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccccc3OC(F)F)C2)CC1 ZINC000366887329 499106069 /nfs/dbraw/zinc/10/60/69/499106069.db2.gz SOGQRTABOIDJMD-UHFFFAOYSA-N 2 1 367.440 3.034 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccccc3OC(F)F)C2)CC1 ZINC000366887329 499106073 /nfs/dbraw/zinc/10/60/73/499106073.db2.gz SOGQRTABOIDJMD-UHFFFAOYSA-N 2 1 367.440 3.034 20 0 FGADMP CC1CCC([NH+]2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000364128209 499120980 /nfs/dbraw/zinc/12/09/80/499120980.db2.gz DATUZIIKXQTYMO-YTQPIUFNSA-N 2 1 364.578 3.011 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2C1 ZINC000372513650 499136871 /nfs/dbraw/zinc/13/68/71/499136871.db2.gz PKARVGCDJNAOJL-VLIAUNLRSA-N 2 1 358.461 3.050 20 0 FGADMP C[C@H](C(=O)N1CCC(C)CC1)[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367058667 499141766 /nfs/dbraw/zinc/14/17/66/499141766.db2.gz WFLGZERWJBQRGG-QZTJIDSGSA-N 2 1 358.530 3.046 20 0 FGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000367092757 499147719 /nfs/dbraw/zinc/14/77/19/499147719.db2.gz HEJPBTXLDYDAQM-PKOBYXMFSA-N 2 1 351.560 3.458 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000369915529 499151650 /nfs/dbraw/zinc/15/16/50/499151650.db2.gz GMIQOTCWGRPSQZ-IRFCIJBXSA-N 2 1 366.509 3.158 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000369915529 499151651 /nfs/dbraw/zinc/15/16/51/499151651.db2.gz GMIQOTCWGRPSQZ-IRFCIJBXSA-N 2 1 366.509 3.158 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CC[C@@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000367132607 499152557 /nfs/dbraw/zinc/15/25/57/499152557.db2.gz DKACDUOHRBDTMJ-HXUWFJFHSA-N 2 1 354.498 3.118 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CC[C@@H](O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000367132607 499152558 /nfs/dbraw/zinc/15/25/58/499152558.db2.gz DKACDUOHRBDTMJ-HXUWFJFHSA-N 2 1 354.498 3.118 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199372 499160643 /nfs/dbraw/zinc/16/06/43/499160643.db2.gz JJSBDNGCNVMEGZ-ZWKOTPCHSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274816 499172048 /nfs/dbraw/zinc/17/20/48/499172048.db2.gz PGPCQQNTIFOISX-RBUKOAKNSA-N 2 1 355.526 3.097 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000367274816 499172049 /nfs/dbraw/zinc/17/20/49/499172049.db2.gz PGPCQQNTIFOISX-RBUKOAKNSA-N 2 1 355.526 3.097 20 0 FGADMP CCC[N@H+](Cc1cn(C(C)C)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367306927 499177726 /nfs/dbraw/zinc/17/77/26/499177726.db2.gz BPPXJDVNYOUOPO-UHFFFAOYSA-N 2 1 371.533 3.147 20 0 FGADMP CCC[N@@H+](Cc1cn(C(C)C)nn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000367306927 499177728 /nfs/dbraw/zinc/17/77/28/499177728.db2.gz BPPXJDVNYOUOPO-UHFFFAOYSA-N 2 1 371.533 3.147 20 0 FGADMP COC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000367709184 499226985 /nfs/dbraw/zinc/22/69/85/499226985.db2.gz RCTZNCVLLXXMQW-WKCHPHFGSA-N 2 1 371.525 3.250 20 0 FGADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)n1 ZINC000370644981 499239031 /nfs/dbraw/zinc/23/90/31/499239031.db2.gz SIAYXMMJLSERJA-BPQIPLTHSA-N 2 1 351.560 3.253 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[NH+]1CCCC[C@H]1C ZINC000370671807 499242823 /nfs/dbraw/zinc/24/28/23/499242823.db2.gz YMCVWXIPUQTMEJ-MXEMCNAFSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000370671807 499242825 /nfs/dbraw/zinc/24/28/25/499242825.db2.gz YMCVWXIPUQTMEJ-MXEMCNAFSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000370671807 499242826 /nfs/dbraw/zinc/24/28/26/499242826.db2.gz YMCVWXIPUQTMEJ-MXEMCNAFSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000370671807 499242828 /nfs/dbraw/zinc/24/28/28/499242828.db2.gz YMCVWXIPUQTMEJ-MXEMCNAFSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000370671807 499242829 /nfs/dbraw/zinc/24/28/29/499242829.db2.gz YMCVWXIPUQTMEJ-MXEMCNAFSA-N 2 1 351.579 3.120 20 0 FGADMP CN(C(=O)[C@@H]([NH3+])c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000370773918 499253336 /nfs/dbraw/zinc/25/33/36/499253336.db2.gz PUQYTQFFZSNTNB-PJEZACDQSA-N 2 1 363.505 3.340 20 0 FGADMP CC[NH+](CC)Cc1cc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)ccc1OC ZINC000368100538 499264328 /nfs/dbraw/zinc/26/43/28/499264328.db2.gz HTOVSMOKMIGGOL-YJBOKZPZSA-N 2 1 356.514 3.468 20 0 FGADMP C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccn4ccnc4c3)C[C@H]2[C@@H]1c1ccccc1 ZINC000368116580 499266092 /nfs/dbraw/zinc/26/60/92/499266092.db2.gz XCWPBCNAWJNFPU-POAQFYNOSA-N 2 1 361.449 3.101 20 0 FGADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000368381594 499290918 /nfs/dbraw/zinc/29/09/18/499290918.db2.gz YCAKETWYHHLMDM-LJQANCHMSA-N 2 1 370.896 3.088 20 0 FGADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000368381594 499290920 /nfs/dbraw/zinc/29/09/20/499290920.db2.gz YCAKETWYHHLMDM-LJQANCHMSA-N 2 1 370.896 3.088 20 0 FGADMP Fc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1OCC(F)(F)F ZINC000368434894 499295576 /nfs/dbraw/zinc/29/55/76/499295576.db2.gz QMAXDLRZXRZUCZ-CYBMUJFWSA-N 2 1 357.351 3.316 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCN(C(=O)CC(C)C)CC3)C2)[nH+]1 ZINC000368492849 499301628 /nfs/dbraw/zinc/30/16/28/499301628.db2.gz FVCRPJSNUMVABF-HXUWFJFHSA-N 2 1 372.557 3.409 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCN(C(=O)CC(C)C)CC3)C2)[nH+]1 ZINC000368492849 499301630 /nfs/dbraw/zinc/30/16/30/499301630.db2.gz FVCRPJSNUMVABF-HXUWFJFHSA-N 2 1 372.557 3.409 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000371271570 499304597 /nfs/dbraw/zinc/30/45/97/499304597.db2.gz SEWOJSJDRUXSBC-FGZHOGPDSA-N 2 1 363.505 3.415 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000368718156 499325030 /nfs/dbraw/zinc/32/50/30/499325030.db2.gz FLOMOHGPGXORTF-LJQANCHMSA-N 2 1 361.534 3.022 20 0 FGADMP Cn1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000371426881 499325438 /nfs/dbraw/zinc/32/54/38/499325438.db2.gz RLFAPPVOGGAGJF-UHFFFAOYSA-N 2 1 368.525 3.162 20 0 FGADMP Cn1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(-c2ccccc2)n1 ZINC000371426881 499325440 /nfs/dbraw/zinc/32/54/40/499325440.db2.gz RLFAPPVOGGAGJF-UHFFFAOYSA-N 2 1 368.525 3.162 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000371491424 499334046 /nfs/dbraw/zinc/33/40/46/499334046.db2.gz PSVXMLJAXYIJRT-CABCVRRESA-N 2 1 360.889 3.393 20 0 FGADMP COc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1OC(=O)C1CC1 ZINC000368965803 499351473 /nfs/dbraw/zinc/35/14/73/499351473.db2.gz MDYDHENUWPAKHJ-UHFFFAOYSA-N 2 1 358.482 3.071 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC[C@@H]([NH+]4CCCCC4)C3)CC2)[nH+]c1 ZINC000369094844 499364926 /nfs/dbraw/zinc/36/49/26/499364926.db2.gz CQGUJFHTXPYSMU-HXUWFJFHSA-N 2 1 370.541 3.083 20 0 FGADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000371833731 499369901 /nfs/dbraw/zinc/36/99/01/499369901.db2.gz CWAOPKCGPZLATK-QGZVFWFLSA-N 2 1 362.562 3.383 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573207488 506144074 /nfs/dbraw/zinc/14/40/74/506144074.db2.gz ZIHDPUCEBZMBOD-RZLSGREXSA-N 2 1 365.905 3.043 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573207488 506144076 /nfs/dbraw/zinc/14/40/76/506144076.db2.gz ZIHDPUCEBZMBOD-RZLSGREXSA-N 2 1 365.905 3.043 20 0 FGADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000372056002 499394066 /nfs/dbraw/zinc/39/40/66/499394066.db2.gz XIKYBOWDIGIMNT-HVYFLLBWSA-N 2 1 360.542 3.020 20 0 FGADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccccc1 ZINC000372056005 499394077 /nfs/dbraw/zinc/39/40/77/499394077.db2.gz XIKYBOWDIGIMNT-WQIFRTTPSA-N 2 1 360.542 3.020 20 0 FGADMP Cc1[nH+]c(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)c2n1CCCC2 ZINC000369416458 499401331 /nfs/dbraw/zinc/40/13/31/499401331.db2.gz GVCMNOLSWICWOH-UHFFFAOYSA-N 2 1 373.545 3.124 20 0 FGADMP COCc1cccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000372170637 499405406 /nfs/dbraw/zinc/40/54/06/499405406.db2.gz UUBOQUNOLURUND-UHFFFAOYSA-N 2 1 354.498 3.341 20 0 FGADMP COCc1cccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000372170637 499405408 /nfs/dbraw/zinc/40/54/08/499405408.db2.gz UUBOQUNOLURUND-UHFFFAOYSA-N 2 1 354.498 3.341 20 0 FGADMP CCOc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000369489204 499408657 /nfs/dbraw/zinc/40/86/57/499408657.db2.gz DHHYEGYYMCVJLN-UHFFFAOYSA-N 2 1 350.478 3.300 20 0 FGADMP CCOc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000369489204 499408659 /nfs/dbraw/zinc/40/86/59/499408659.db2.gz DHHYEGYYMCVJLN-UHFFFAOYSA-N 2 1 350.478 3.300 20 0 FGADMP [NH3+]Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC000372436273 499434467 /nfs/dbraw/zinc/43/44/67/499434467.db2.gz IBTBKVRQXXVXFN-VQTJNVASSA-N 2 1 353.466 3.008 20 0 FGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000373772169 499487180 /nfs/dbraw/zinc/48/71/80/499487180.db2.gz PFVHMGIECGGKRN-MSOLQXFVSA-N 2 1 359.518 3.157 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375410592 499515693 /nfs/dbraw/zinc/51/56/93/499515693.db2.gz KPAIFRPFVIYNOG-XJUOHMSHSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375410592 499515695 /nfs/dbraw/zinc/51/56/95/499515695.db2.gz KPAIFRPFVIYNOG-XJUOHMSHSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1[C@@H]1COCC[C@]1(C)O ZINC000375410592 499515697 /nfs/dbraw/zinc/51/56/97/499515697.db2.gz KPAIFRPFVIYNOG-XJUOHMSHSA-N 2 1 374.569 3.397 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000378431812 499516143 /nfs/dbraw/zinc/51/61/43/499516143.db2.gz OUJHPASBIKXHNQ-OAQYLSRUSA-N 2 1 367.541 3.111 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518742 499527145 /nfs/dbraw/zinc/52/71/45/499527145.db2.gz LIYLYDFOVNQWOC-PKOBYXMFSA-N 2 1 372.557 3.293 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378518742 499527146 /nfs/dbraw/zinc/52/71/46/499527146.db2.gz LIYLYDFOVNQWOC-PKOBYXMFSA-N 2 1 372.557 3.293 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-n3ccnc3)nc2)[C@H]1c1ccccc1 ZINC000375518004 499527743 /nfs/dbraw/zinc/52/77/43/499527743.db2.gz DLMXYNNIHNGWER-IFMALSPDSA-N 2 1 361.493 3.440 20 0 FGADMP C[C@@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000378568170 499532607 /nfs/dbraw/zinc/53/26/07/499532607.db2.gz JPTBJWKXWJLKLR-IAGOWNOFSA-N 2 1 359.514 3.127 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628195 499539083 /nfs/dbraw/zinc/53/90/83/499539083.db2.gz MZVMOVHVRGAHKY-QMMLZNLJSA-N 2 1 358.526 3.033 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000382724666 499546128 /nfs/dbraw/zinc/54/61/28/499546128.db2.gz RCNGBJKGQMIDAK-NHCUHLMSSA-N 2 1 357.542 3.265 20 0 FGADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000385418198 499548143 /nfs/dbraw/zinc/54/81/43/499548143.db2.gz WQYMNUPHMWBTKT-UHFFFAOYSA-N 2 1 358.267 3.254 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000389845318 499553155 /nfs/dbraw/zinc/55/31/55/499553155.db2.gz NEKWVQHRFYZBFZ-DUXKGJEZSA-N 2 1 351.494 3.103 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390528088 499554429 /nfs/dbraw/zinc/55/44/29/499554429.db2.gz DACNRUDSBJNULM-OAQYLSRUSA-N 2 1 365.521 3.437 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390528088 499554431 /nfs/dbraw/zinc/55/44/31/499554431.db2.gz DACNRUDSBJNULM-OAQYLSRUSA-N 2 1 365.521 3.437 20 0 FGADMP [NH3+][C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586233 499554629 /nfs/dbraw/zinc/55/46/29/499554629.db2.gz FOMNDEZJUVGAIO-STZQEDGTSA-N 2 1 351.494 3.012 20 0 FGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(I)cc1 ZINC000392298562 499558614 /nfs/dbraw/zinc/55/86/14/499558614.db2.gz XRSDNIREPPYBCB-LBPRGKRZSA-N 2 1 356.251 3.204 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397959358 499565111 /nfs/dbraw/zinc/56/51/11/499565111.db2.gz DCWQVHBKICWDCE-FCEUIQTBSA-N 2 1 368.521 3.235 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n(C)c1C ZINC000398046467 499566151 /nfs/dbraw/zinc/56/61/51/499566151.db2.gz RJVBXTMSIQLIQN-IERDGZPVSA-N 2 1 369.509 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)c1C ZINC000398046467 499566152 /nfs/dbraw/zinc/56/61/52/499566152.db2.gz RJVBXTMSIQLIQN-IERDGZPVSA-N 2 1 369.509 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)c1C ZINC000398046472 499566340 /nfs/dbraw/zinc/56/63/40/499566340.db2.gz RJVBXTMSIQLIQN-KKSFZXQISA-N 2 1 369.509 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)c1C ZINC000398046472 499566342 /nfs/dbraw/zinc/56/63/42/499566342.db2.gz RJVBXTMSIQLIQN-KKSFZXQISA-N 2 1 369.509 3.120 20 0 FGADMP Cc1cc(C)cc(OCCC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375900068 499566753 /nfs/dbraw/zinc/56/67/53/499566753.db2.gz FKRVIJQDPLZZKC-OAQYLSRUSA-N 2 1 359.558 3.173 20 0 FGADMP CCCOc1ccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)cc1 ZINC000582174762 506151454 /nfs/dbraw/zinc/15/14/54/506151454.db2.gz XDYFGBCIKNTVLC-UHFFFAOYSA-N 2 1 359.558 3.467 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cccc(-n4ccnn4)c3)CC2)[nH+]1 ZINC000376831822 499638814 /nfs/dbraw/zinc/63/88/14/499638814.db2.gz BJFDHFCMAFHFAC-QGZVFWFLSA-N 2 1 362.481 3.290 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000376854113 499640941 /nfs/dbraw/zinc/64/09/41/499640941.db2.gz GWXSYMFPDRKONK-ROUUACIJSA-N 2 1 362.518 3.385 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000377008878 499653808 /nfs/dbraw/zinc/65/38/08/499653808.db2.gz CMRCIJQRFHJZIK-GOSISDBHSA-N 2 1 372.557 3.436 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000410345533 499656409 /nfs/dbraw/zinc/65/64/09/499656409.db2.gz QGPDAAZORCGZAR-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[NH+]3CCCCC3)cc2)C1 ZINC000410366274 499657840 /nfs/dbraw/zinc/65/78/40/499657840.db2.gz GTOITMBXSNKISM-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cnc(Cl)s3)CC2)CC1 ZINC000377265642 499675171 /nfs/dbraw/zinc/67/51/71/499675171.db2.gz GOXROWOWHCIJJU-UHFFFAOYSA-N 3 1 370.994 3.425 20 0 FGADMP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)Cc1cnc(Cl)s1 ZINC000377265642 499675173 /nfs/dbraw/zinc/67/51/73/499675173.db2.gz GOXROWOWHCIJJU-UHFFFAOYSA-N 3 1 370.994 3.425 20 0 FGADMP CC[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)C1CC1 ZINC000377512715 499699286 /nfs/dbraw/zinc/69/92/86/499699286.db2.gz PIJMLQCRRCHZGV-UHFFFAOYSA-N 2 1 369.962 3.214 20 0 FGADMP COc1ccc2c(c1)OCCC[C@H]2[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000377566824 499705315 /nfs/dbraw/zinc/70/53/15/499705315.db2.gz XYOGNWQHADCFAY-LJQANCHMSA-N 2 1 371.481 3.034 20 0 FGADMP c1cc(C[NH+]2CCCCC2)cc(C[NH+]2CCC(CN3CCOCC3)CC2)c1 ZINC000411173983 499706646 /nfs/dbraw/zinc/70/66/46/499706646.db2.gz RIUQYTQAZDFDTP-UHFFFAOYSA-N 2 1 371.569 3.217 20 0 FGADMP C[N@H+](Cc1cccn1Cc1cccs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630223 499713041 /nfs/dbraw/zinc/71/30/41/499713041.db2.gz QCMSELIZOYVTMB-IBGZPJMESA-N 2 1 372.582 3.198 20 0 FGADMP C[N@@H+](Cc1cccn1Cc1cccs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377630223 499713042 /nfs/dbraw/zinc/71/30/42/499713042.db2.gz QCMSELIZOYVTMB-IBGZPJMESA-N 2 1 372.582 3.198 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1C[NH+]1CCCCC1 ZINC000411263155 499718796 /nfs/dbraw/zinc/71/87/96/499718796.db2.gz SISJEZHXVJIEKE-QHCPKHFHSA-N 2 1 371.569 3.217 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)c(OC)c1OC ZINC000377758713 499729897 /nfs/dbraw/zinc/72/98/97/499729897.db2.gz DGTOCPQHDGGPMP-PXNSSMCTSA-N 2 1 370.493 3.495 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(OC)c1OC ZINC000377758713 499729898 /nfs/dbraw/zinc/72/98/98/499729898.db2.gz DGTOCPQHDGGPMP-PXNSSMCTSA-N 2 1 370.493 3.495 20 0 FGADMP O=C1C[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)CN1 ZINC000411410104 499736373 /nfs/dbraw/zinc/73/63/73/499736373.db2.gz CIMHSECIHBRJES-LEWJYISDSA-N 2 1 355.526 3.163 20 0 FGADMP c1cncc(CN2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)c1 ZINC000411417394 499737750 /nfs/dbraw/zinc/73/77/50/499737750.db2.gz MECUKTJIYWDJEA-UHFFFAOYSA-N 2 1 364.537 3.385 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000377832440 499740577 /nfs/dbraw/zinc/74/05/77/499740577.db2.gz RYMWQKRRMFSOAJ-LJQANCHMSA-N 2 1 370.566 3.410 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@@H]1c1cccc(Cl)c1 ZINC000377899699 499746508 /nfs/dbraw/zinc/74/65/08/499746508.db2.gz FBMMINRZUIZILJ-WMZOPIPTSA-N 2 1 361.917 3.077 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H]1c1cccc(Cl)c1 ZINC000377899696 499746517 /nfs/dbraw/zinc/74/65/17/499746517.db2.gz FBMMINRZUIZILJ-SJLPKXTDSA-N 2 1 361.917 3.077 20 0 FGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000377908163 499747231 /nfs/dbraw/zinc/74/72/31/499747231.db2.gz RMJNUNGLSLCDLV-QIJZPMMNSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000377908163 499747233 /nfs/dbraw/zinc/74/72/33/499747233.db2.gz RMJNUNGLSLCDLV-QIJZPMMNSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000377908163 499747235 /nfs/dbraw/zinc/74/72/35/499747235.db2.gz RMJNUNGLSLCDLV-QIJZPMMNSA-N 2 1 357.542 3.401 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCC(=O)N1CCCC[C@@H]1C ZINC000411527363 499751417 /nfs/dbraw/zinc/75/14/17/499751417.db2.gz FVXUHXGVZVVYKM-LMVRJCEZSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411527363 499751418 /nfs/dbraw/zinc/75/14/18/499751418.db2.gz FVXUHXGVZVVYKM-LMVRJCEZSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1nccc(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000411531578 499751972 /nfs/dbraw/zinc/75/19/72/499751972.db2.gz WQBTWOALVZBDJU-UHFFFAOYSA-N 2 1 365.525 3.093 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nnc2n1CCCCC2 ZINC000378149578 499761044 /nfs/dbraw/zinc/76/10/44/499761044.db2.gz JPYRYYVEVVZTSF-DLBZAZTESA-N 2 1 371.529 3.357 20 0 FGADMP c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc(OC2CCOCC2)n1 ZINC000378165692 499761535 /nfs/dbraw/zinc/76/15/35/499761535.db2.gz IGKAFHWMKVKKEU-UHFFFAOYSA-N 2 1 359.514 3.136 20 0 FGADMP CN1CCO[C@@H]([C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccc(Cl)cc2)C1 ZINC000414199369 499768105 /nfs/dbraw/zinc/76/81/05/499768105.db2.gz WUPXERYPSHHHDV-NSISKUIASA-N 2 1 365.949 3.033 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2cnc(N(C)C)n2C)cc1 ZINC000414281377 499773784 /nfs/dbraw/zinc/77/37/84/499773784.db2.gz FVIKKELYVCVCJP-QGZVFWFLSA-N 2 1 355.530 3.150 20 0 FGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)C1 ZINC000414662129 499818074 /nfs/dbraw/zinc/81/80/74/499818074.db2.gz YQJTVXDWAUVIPA-WCQYABFASA-N 2 1 356.310 3.339 20 0 FGADMP COC(=O)[C@@H]1CSCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000412090036 499822368 /nfs/dbraw/zinc/82/23/68/499822368.db2.gz XQDJSRSIZZRILH-IBGZPJMESA-N 2 1 362.539 3.011 20 0 FGADMP COCC[N@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414753808 499826710 /nfs/dbraw/zinc/82/67/10/499826710.db2.gz FEQCWPNSPINWBW-STQMWFEESA-N 2 1 361.349 3.347 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412154605 499828655 /nfs/dbraw/zinc/82/86/55/499828655.db2.gz HSOXAUZLYYGREP-OAQYLSRUSA-N 2 1 369.553 3.476 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780315 499830482 /nfs/dbraw/zinc/83/04/82/499830482.db2.gz LIHGHHSCXSBPND-HUUCEWRRSA-N 2 1 353.304 3.279 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414820400 499834274 /nfs/dbraw/zinc/83/42/74/499834274.db2.gz ASWFEIAIYKUADI-CMPLNLGQSA-N 2 1 363.811 3.418 20 0 FGADMP Clc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc2c1OCCCO2 ZINC000414882988 499841236 /nfs/dbraw/zinc/84/12/36/499841236.db2.gz STVYDPNVQCIQEO-UHFFFAOYSA-N 2 1 361.873 3.166 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]Cc4cccnc4)[C@@H]3C2)cc1 ZINC000414886223 499841721 /nfs/dbraw/zinc/84/17/21/499841721.db2.gz VPXHKGHEUUGAGM-ZRBLBEILSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000414886223 499841722 /nfs/dbraw/zinc/84/17/22/499841722.db2.gz VPXHKGHEUUGAGM-ZRBLBEILSA-N 2 1 364.537 3.062 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCCNCc4cccnc4)[C@@H]3C2)cc1 ZINC000414886223 499841725 /nfs/dbraw/zinc/84/17/25/499841725.db2.gz VPXHKGHEUUGAGM-ZRBLBEILSA-N 2 1 364.537 3.062 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2(C[NH3+])CCCC2)c1 ZINC000414902175 499843303 /nfs/dbraw/zinc/84/33/03/499843303.db2.gz KMZNOOLRIMOZNL-UHFFFAOYSA-N 2 1 355.486 3.448 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)[C@@H](C[NH3+])C2CC2)c1 ZINC000414919584 499844463 /nfs/dbraw/zinc/84/44/63/499844463.db2.gz XPZJNNYRKKRIFA-SFHVURJKSA-N 2 1 355.486 3.256 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414928565 499845657 /nfs/dbraw/zinc/84/56/57/499845657.db2.gz NLTMQIWUPBDNAL-DYVFJYSZSA-N 2 1 367.921 3.434 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[NH2+]C[C@H]3C)c2)cc1 ZINC000414941333 499847083 /nfs/dbraw/zinc/84/70/83/499847083.db2.gz LNZRPLHRTPECTN-QRWLVFNGSA-N 2 1 353.466 3.035 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070410 499860644 /nfs/dbraw/zinc/86/06/44/499860644.db2.gz UXTLLAMXLZPVRZ-WBMJQRKESA-N 2 1 368.319 3.273 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415072084 499860932 /nfs/dbraw/zinc/86/09/32/499860932.db2.gz XOGDGKCMLTUMOP-WBMJQRKESA-N 2 1 373.419 3.409 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)s3)CC2)C1 ZINC000415129042 499867750 /nfs/dbraw/zinc/86/77/50/499867750.db2.gz UDPOPIRIKQWFGQ-OCCSQVGLSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)cc3F)C2)nn1 ZINC000415131507 499868175 /nfs/dbraw/zinc/86/81/75/499868175.db2.gz SKZSAPJQOLNSJC-FQEVSTJZSA-N 2 1 365.456 3.380 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415933755 499930100 /nfs/dbraw/zinc/93/01/00/499930100.db2.gz PXOAWKWTBPTZQK-PXNSSMCTSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000415939673 499931024 /nfs/dbraw/zinc/93/10/24/499931024.db2.gz CWODCVOTRWQWLF-UHFFFAOYSA-N 2 1 354.498 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000415946126 499931696 /nfs/dbraw/zinc/93/16/96/499931696.db2.gz SQDNSUFONZYETC-LJQANCHMSA-N 2 1 370.497 3.229 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415946559 499931913 /nfs/dbraw/zinc/93/19/13/499931913.db2.gz NSXPCEYLUKHDKK-UHFFFAOYSA-N 2 1 370.497 3.056 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415961632 499933977 /nfs/dbraw/zinc/93/39/77/499933977.db2.gz RURQPQGCROSXRL-VQIMIIECSA-N 2 1 352.482 3.177 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415972033 499935622 /nfs/dbraw/zinc/93/56/22/499935622.db2.gz OLUANSHMAUCDBH-HNNXBMFYSA-N 2 1 358.408 3.112 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000415985775 499937671 /nfs/dbraw/zinc/93/76/71/499937671.db2.gz UBGBFUJJTYAUDV-UHFFFAOYSA-N 2 1 354.498 3.438 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417028727 499952177 /nfs/dbraw/zinc/95/21/77/499952177.db2.gz BSIPGPIBRZDDAL-SFHVURJKSA-N 2 1 352.567 3.049 20 0 FGADMP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201211 499979081 /nfs/dbraw/zinc/97/90/81/499979081.db2.gz RKAWZEHNVOGROD-CUWPLCDZSA-N 2 1 357.542 3.449 20 0 FGADMP Fc1ccc([C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CCCC2)cc1 ZINC000573316785 506169679 /nfs/dbraw/zinc/16/96/79/506169679.db2.gz CXTDLFSQTNUKSV-LJQANCHMSA-N 2 1 357.477 3.432 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(C)c(OC)c(C)c3)CC2)CC1 ZINC000421366740 500028907 /nfs/dbraw/zinc/02/89/07/500028907.db2.gz DHWBSCOHWSYGJJ-UHFFFAOYSA-N 2 1 359.558 3.304 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc4cc(OC)ccc4o3)CC2)CC1 ZINC000421369330 500029434 /nfs/dbraw/zinc/02/94/34/500029434.db2.gz HHNSMUIUSDDHNP-UHFFFAOYSA-N 2 1 371.525 3.433 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)c(F)c1 ZINC000413901325 500090920 /nfs/dbraw/zinc/09/09/20/500090920.db2.gz MUOVHLKZIHIASO-LJQANCHMSA-N 2 1 363.477 3.112 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417554805 500107541 /nfs/dbraw/zinc/10/75/41/500107541.db2.gz KKPXCSLHQZFKQJ-PMACEKPBSA-N 2 1 360.546 3.420 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000421704095 500122883 /nfs/dbraw/zinc/12/28/83/500122883.db2.gz NTSODPZFQHYKQV-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000421704095 500122886 /nfs/dbraw/zinc/12/28/86/500122886.db2.gz NTSODPZFQHYKQV-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C[C@@H]1CCC[NH+]1C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000421704095 500122890 /nfs/dbraw/zinc/12/28/90/500122890.db2.gz NTSODPZFQHYKQV-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)C1 ZINC000416966668 500168589 /nfs/dbraw/zinc/16/85/89/500168589.db2.gz FVCQXCROPHUIST-RTBURBONSA-N 2 1 372.557 3.060 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000416969113 500169614 /nfs/dbraw/zinc/16/96/14/500169614.db2.gz KEZJBEGZYFNCRP-MSOLQXFVSA-N 2 1 372.557 3.187 20 0 FGADMP CCC[N@H+](Cc1cncn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417780818 500170526 /nfs/dbraw/zinc/17/05/26/500170526.db2.gz WCLWWNWJBJKJQL-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP CCC[N@@H+](Cc1cncn1CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000417780818 500170528 /nfs/dbraw/zinc/17/05/28/500170528.db2.gz WCLWWNWJBJKJQL-UHFFFAOYSA-N 2 1 356.518 3.191 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000416971577 500170627 /nfs/dbraw/zinc/17/06/27/500170627.db2.gz PVYVMTRAENYAPB-QZTJIDSGSA-N 2 1 360.546 3.235 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000416981024 500173800 /nfs/dbraw/zinc/17/38/00/500173800.db2.gz UOYDHABDMWFVMY-GHTZIAJQSA-N 2 1 372.557 3.392 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCCC[NH2+]C2CC2)C1 ZINC000416979494 500174094 /nfs/dbraw/zinc/17/40/94/500174094.db2.gz AENUHPJBZQQKLN-HDICACEKSA-N 2 1 372.557 3.106 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)cc2)C1 ZINC000417001204 500181038 /nfs/dbraw/zinc/18/10/38/500181038.db2.gz ZOHCNIMDMURZBF-BMQTXXJKSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000417852488 500184494 /nfs/dbraw/zinc/18/44/94/500184494.db2.gz ZKTRXQMRZQHTIC-VNYTWHDVSA-N 2 1 372.557 3.104 20 0 FGADMP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984297 500209211 /nfs/dbraw/zinc/20/92/11/500209211.db2.gz DGIYHYTZGLIXKE-QZTJIDSGSA-N 2 1 364.578 3.251 20 0 FGADMP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984133 500209408 /nfs/dbraw/zinc/20/94/08/500209408.db2.gz CRFZSDCSORMGBB-QUCCMNQESA-N 2 1 372.557 3.200 20 0 FGADMP O[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000425950866 500215706 /nfs/dbraw/zinc/21/57/06/500215706.db2.gz BDZPWJDITBUGKV-PMACEKPBSA-N 2 1 359.901 3.065 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(C)C(C)(C)C[NH+]3CCCC3)sc2C1 ZINC000418136082 500235282 /nfs/dbraw/zinc/23/52/82/500235282.db2.gz AAOGPIPEURQGDB-UHFFFAOYSA-N 2 1 350.576 3.216 20 0 FGADMP CC[C@H](C)CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000422222204 500236938 /nfs/dbraw/zinc/23/69/38/500236938.db2.gz DJKVDBQEQIRNEP-WDSOQIARSA-N 2 1 352.567 3.011 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418150819 500237450 /nfs/dbraw/zinc/23/74/50/500237450.db2.gz DKDSQTBDGMDLHR-VQTJNVASSA-N 2 1 372.557 3.104 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150122 500237528 /nfs/dbraw/zinc/23/75/28/500237528.db2.gz CDXKXLLXAUJZOS-YLJYHZDGSA-N 2 1 372.557 3.056 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C1CC[NH2+]CC1 ZINC000430604819 500261667 /nfs/dbraw/zinc/26/16/67/500261667.db2.gz RKYLAPBDHVXBKJ-UHFFFAOYSA-N 2 1 353.466 3.491 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C(C)C ZINC000582319207 506186024 /nfs/dbraw/zinc/18/60/24/506186024.db2.gz JREHDZFXAJIVEK-AZUAARDMSA-N 2 1 360.546 3.067 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000422564726 500275334 /nfs/dbraw/zinc/27/53/34/500275334.db2.gz WSJWJVUQLOLGDQ-YDHLFZDLSA-N 2 1 360.420 3.442 20 0 FGADMP CCN(C(=O)NCC([NH3+])(CC)CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418431389 500276198 /nfs/dbraw/zinc/27/61/98/500276198.db2.gz WZGCWQIYWNABDM-HKUYNNGSSA-N 2 1 360.546 3.371 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418471567 500280406 /nfs/dbraw/zinc/28/04/06/500280406.db2.gz RRSXSVJQNRTSJW-IRLDBZIGSA-N 2 1 372.557 3.202 20 0 FGADMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422710838 500288649 /nfs/dbraw/zinc/28/86/49/500288649.db2.gz LRRADDBADWIVCB-OIISXLGYSA-N 2 1 352.320 3.148 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[C@H]1CCC[NH2+]C1 ZINC000430812188 500289534 /nfs/dbraw/zinc/28/95/34/500289534.db2.gz UWVZAEZGDKLESQ-NHAYFPRASA-N 2 1 363.571 3.273 20 0 FGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c2)CC1 ZINC000422745365 500293420 /nfs/dbraw/zinc/29/34/20/500293420.db2.gz UWVWOFBKLGIZRN-YTFSRNRJSA-N 2 1 371.569 3.165 20 0 FGADMP CN(C)Cc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746277 500293700 /nfs/dbraw/zinc/29/37/00/500293700.db2.gz NOZZTTJKSZXAAH-UNMCSNQZSA-N 2 1 369.484 3.233 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000422746928 500294001 /nfs/dbraw/zinc/29/40/01/500294001.db2.gz XOBIJLYGILMIIZ-DLBZAZTESA-N 2 1 350.526 3.136 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840639 500295128 /nfs/dbraw/zinc/29/51/28/500295128.db2.gz SZUOIWFMZPFWBF-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840639 500295129 /nfs/dbraw/zinc/29/51/29/500295129.db2.gz SZUOIWFMZPFWBF-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840639 500295131 /nfs/dbraw/zinc/29/51/31/500295131.db2.gz SZUOIWFMZPFWBF-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840639 500295133 /nfs/dbraw/zinc/29/51/33/500295133.db2.gz SZUOIWFMZPFWBF-SFHLNBCPSA-N 2 1 357.542 3.372 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)[C@H]3CCCCN3)CC2)c1 ZINC000422812476 500300988 /nfs/dbraw/zinc/30/09/88/500300988.db2.gz QKYINDBXCGCPME-IFMALSPDSA-N 2 1 358.574 3.017 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418664824 500304014 /nfs/dbraw/zinc/30/40/14/500304014.db2.gz BBWUCBQHJWJJFK-AZUAARDMSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422875598 500308811 /nfs/dbraw/zinc/30/88/11/500308811.db2.gz FEIUNROMUVACSW-LMVRJCEZSA-N 2 1 359.558 3.021 20 0 FGADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874802 500309059 /nfs/dbraw/zinc/30/90/59/500309059.db2.gz DFDVXLDVVNJIAC-PEVTXAFISA-N 3 1 359.558 3.006 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878223 500309635 /nfs/dbraw/zinc/30/96/35/500309635.db2.gz JPVQZBSQVBDNNW-AFULGHPHSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878223 500309637 /nfs/dbraw/zinc/30/96/37/500309637.db2.gz JPVQZBSQVBDNNW-AFULGHPHSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@H]1[NH3+] ZINC000430961163 500313602 /nfs/dbraw/zinc/31/36/02/500313602.db2.gz MTCUBIRLQAPCOE-OXQOHEQNSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O ZINC000422922559 500316956 /nfs/dbraw/zinc/31/69/56/500316956.db2.gz UALDBUNWIPXWFJ-GIVPXCGWSA-N 2 1 357.542 3.121 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422937624 500320038 /nfs/dbraw/zinc/32/00/38/500320038.db2.gz OLTBUFMMKLIJNO-DJIMGWMZSA-N 2 1 353.304 3.468 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000426804080 500322629 /nfs/dbraw/zinc/32/26/29/500322629.db2.gz RSPILWNOWDUKQY-KDURUIRLSA-N 2 1 372.553 3.375 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422988395 500327995 /nfs/dbraw/zinc/32/79/95/500327995.db2.gz IYOPZFOQBVIIMD-CZUORRHYSA-N 2 1 353.388 3.027 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000431060884 500329814 /nfs/dbraw/zinc/32/98/14/500329814.db2.gz HEZPZEHFQJITEI-NLEAXPPASA-N 2 1 351.494 3.274 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423005956 500330636 /nfs/dbraw/zinc/33/06/36/500330636.db2.gz TVNDWDAGKCNPDK-YDXQKAQTSA-N 3 1 371.569 3.034 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104672 500343301 /nfs/dbraw/zinc/34/33/01/500343301.db2.gz MKHNCYONXXCRCG-JEDBISTDSA-N 2 1 353.938 3.065 20 0 FGADMP CCCN(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104672 500343305 /nfs/dbraw/zinc/34/33/05/500343305.db2.gz MKHNCYONXXCRCG-JEDBISTDSA-N 2 1 353.938 3.065 20 0 FGADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423129204 500346606 /nfs/dbraw/zinc/34/66/06/500346606.db2.gz FBFRYKHWYAANLT-FPOVZHCZSA-N 3 1 359.558 3.022 20 0 FGADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000423157966 500350164 /nfs/dbraw/zinc/35/01/64/500350164.db2.gz NEONZZGFOSWQRU-KBRIMQKVSA-N 2 1 359.297 3.119 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000419295109 500350308 /nfs/dbraw/zinc/35/03/08/500350308.db2.gz PZYQWODLQHGZOC-DLBZAZTESA-N 2 1 357.542 3.421 20 0 FGADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423169070 500350525 /nfs/dbraw/zinc/35/05/25/500350525.db2.gz YZJBBJIFMWMBEQ-DAYGRLMNSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2cccc(Br)c2)CC1 ZINC000423182896 500352588 /nfs/dbraw/zinc/35/25/88/500352588.db2.gz LYRYSAUJCVATPJ-KBXCAEBGSA-N 2 1 366.347 3.001 20 0 FGADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)c2ccccc21 ZINC000423187810 500353160 /nfs/dbraw/zinc/35/31/60/500353160.db2.gz MVHZZBNKPOQBAU-LEWJYISDSA-N 2 1 367.493 3.333 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187788 500353450 /nfs/dbraw/zinc/35/34/50/500353450.db2.gz MTMMUADAGLRAJO-UGKGYDQZSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423285836 500361810 /nfs/dbraw/zinc/36/18/10/500361810.db2.gz YUXMRPBMXAKTPI-FOIQADDNSA-N 2 1 350.466 3.301 20 0 FGADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC3(CCOCC3)CC2)cc1 ZINC000423317905 500363990 /nfs/dbraw/zinc/36/39/90/500363990.db2.gz BFHRQWUKUXDLEF-NHCUHLMSSA-N 2 1 358.526 3.470 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCc3c(cccc3OC)C2)cc1 ZINC000423336520 500365673 /nfs/dbraw/zinc/36/56/73/500365673.db2.gz QJMOQAKHVOIQOT-KAGYGMCKSA-N 2 1 366.505 3.296 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423393710 500369444 /nfs/dbraw/zinc/36/94/44/500369444.db2.gz RFOJIAZMKJLDRL-HKUYNNGSSA-N 2 1 354.498 3.335 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000423404994 500370931 /nfs/dbraw/zinc/37/09/31/500370931.db2.gz YOWWNYQBOZVJFZ-YZGWKJHDSA-N 2 1 357.542 3.276 20 0 FGADMP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423485281 500378129 /nfs/dbraw/zinc/37/81/29/500378129.db2.gz AYSWLYJZSADYBW-ABAIWWIYSA-N 2 1 359.695 3.058 20 0 FGADMP Fc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccn2)cc1 ZINC000423505405 500380117 /nfs/dbraw/zinc/38/01/17/500380117.db2.gz HRFPPNQRRNOLKL-QETWGEEDSA-N 2 1 368.500 3.116 20 0 FGADMP COc1cccc2cc([C@H](C)[NH2+]C3CCC([NH+]4CCNCC4)CC3)oc21 ZINC000423507547 500380402 /nfs/dbraw/zinc/38/04/02/500380402.db2.gz JMHSAZOECDPBHD-ZLPCBKJTSA-N 2 1 357.498 3.308 20 0 FGADMP CSc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1F ZINC000423519755 500381923 /nfs/dbraw/zinc/38/19/23/500381923.db2.gz QLIXQUYPFMJFDV-OOHWJJMZSA-N 2 1 351.535 3.415 20 0 FGADMP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)cc1 ZINC000423734539 500397363 /nfs/dbraw/zinc/39/73/63/500397363.db2.gz QZZNZKGPHAGGHA-OAQYLSRUSA-N 2 1 373.541 3.027 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)cc1 ZINC000423734539 500397367 /nfs/dbraw/zinc/39/73/67/500397367.db2.gz QZZNZKGPHAGGHA-OAQYLSRUSA-N 2 1 373.541 3.027 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423753281 500399573 /nfs/dbraw/zinc/39/95/73/500399573.db2.gz XDGFYTVMEJXUOT-RBBKRZOGSA-N 2 1 357.542 3.061 20 0 FGADMP C[C@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000423768927 500400442 /nfs/dbraw/zinc/40/04/42/500400442.db2.gz BQCXAGNMEOGFOH-RTBURBONSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(C[NH3+])CC3)c2c1C ZINC000420186175 500423757 /nfs/dbraw/zinc/42/37/57/500423757.db2.gz QJLUPVGYLLHCRX-UHFFFAOYSA-N 2 1 359.543 3.079 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1)C1CC1 ZINC000423957649 500424453 /nfs/dbraw/zinc/42/44/53/500424453.db2.gz AULNIBMPEGENIA-PZJWPPBQSA-N 2 1 355.526 3.275 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295018 500435930 /nfs/dbraw/zinc/43/59/30/500435930.db2.gz BUBDXPDCJUEEHC-DYESRHJHSA-N 2 1 351.494 3.034 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000424011811 500436114 /nfs/dbraw/zinc/43/61/14/500436114.db2.gz ZFJDIPPBCIMXHI-QFIPXVFZSA-N 2 1 363.505 3.458 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302904 500437707 /nfs/dbraw/zinc/43/77/07/500437707.db2.gz JYIICFWVYQBYNW-RTBURBONSA-N 2 1 367.493 3.088 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323898 500442070 /nfs/dbraw/zinc/44/20/70/500442070.db2.gz UOSQXGXLYAYHCZ-RBBKRZOGSA-N 2 1 354.494 3.419 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)cc1 ZINC000420353191 500446621 /nfs/dbraw/zinc/44/66/21/500446621.db2.gz BJBWMCJIOHMYIN-XLIONFOSSA-N 2 1 371.500 3.255 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376842 500450972 /nfs/dbraw/zinc/45/09/72/500450972.db2.gz APHWOYRDDVZTJX-MTNREXPMSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc2ccccc2c1 ZINC000420376842 500450975 /nfs/dbraw/zinc/45/09/75/500450975.db2.gz APHWOYRDDVZTJX-MTNREXPMSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378530 500451107 /nfs/dbraw/zinc/45/11/07/500451107.db2.gz BFLTZNKJUSAGKQ-SZVBFZGTSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378530 500451108 /nfs/dbraw/zinc/45/11/08/500451108.db2.gz BFLTZNKJUSAGKQ-SZVBFZGTSA-N 2 1 363.933 3.323 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[C@@H]4C[C@H](OC)C[C@@H]4C3)cc2)CC1 ZINC000424270936 500478936 /nfs/dbraw/zinc/47/89/36/500478936.db2.gz RFNWJKABGSNPOQ-YSVGVQOKSA-N 2 1 371.569 3.117 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1[C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287028 500481834 /nfs/dbraw/zinc/48/18/34/500481834.db2.gz IFDGZFLLFPDBCT-CXAGYDPISA-N 2 1 365.880 3.048 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000428244201 500486471 /nfs/dbraw/zinc/48/64/71/500486471.db2.gz XWZMXPFEQAJYSW-GSPCLOLRSA-N 2 1 372.553 3.054 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000576612353 506198755 /nfs/dbraw/zinc/19/87/55/506198755.db2.gz JOXXKBGDTKYQDM-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612353 506198757 /nfs/dbraw/zinc/19/87/57/506198757.db2.gz JOXXKBGDTKYQDM-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1[C@H](NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000576612353 506198759 /nfs/dbraw/zinc/19/87/59/506198759.db2.gz JOXXKBGDTKYQDM-HLAWJBBLSA-N 2 1 372.557 3.165 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000420775075 500498144 /nfs/dbraw/zinc/49/81/44/500498144.db2.gz BLOZZZPVGSCIEH-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000420780812 500499359 /nfs/dbraw/zinc/49/93/59/500499359.db2.gz QMVQOXOPIRYVJL-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCO1 ZINC000432356979 500504318 /nfs/dbraw/zinc/50/43/18/500504318.db2.gz FZNRGNVFZDCRSL-OAHLLOKOSA-N 2 1 368.905 3.092 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCO1 ZINC000432356979 500504320 /nfs/dbraw/zinc/50/43/20/500504320.db2.gz FZNRGNVFZDCRSL-OAHLLOKOSA-N 2 1 368.905 3.092 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432364642 500505669 /nfs/dbraw/zinc/50/56/69/500505669.db2.gz KRUGGIWPYLGOBR-OAHLLOKOSA-N 2 1 355.320 3.348 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)c1 ZINC000424439140 500505907 /nfs/dbraw/zinc/50/59/07/500505907.db2.gz REWNTOFNAUQFBB-OXQOHEQNSA-N 2 1 352.482 3.238 20 0 FGADMP CN(C/C=C/c1ccc(F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428432758 500509608 /nfs/dbraw/zinc/50/96/08/500509608.db2.gz RAUWEEFKDIHQDS-QNBZTBGESA-N 2 1 354.469 3.408 20 0 FGADMP C[N@H+](C/C=C/c1ccc(F)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432758 500509611 /nfs/dbraw/zinc/50/96/11/500509611.db2.gz RAUWEEFKDIHQDS-QNBZTBGESA-N 2 1 354.469 3.408 20 0 FGADMP C[N@@H+](C/C=C/c1ccc(F)cc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000428432758 500509615 /nfs/dbraw/zinc/50/96/15/500509615.db2.gz RAUWEEFKDIHQDS-QNBZTBGESA-N 2 1 354.469 3.408 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000428457948 500512851 /nfs/dbraw/zinc/51/28/51/500512851.db2.gz IAJUZXYAETXXGG-PWRODBHTSA-N 2 1 371.569 3.429 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000420899939 500526025 /nfs/dbraw/zinc/52/60/25/500526025.db2.gz GZEASIZSWVAIIW-UHFFFAOYSA-N 2 1 373.585 3.463 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420899939 500526026 /nfs/dbraw/zinc/52/60/26/500526026.db2.gz GZEASIZSWVAIIW-UHFFFAOYSA-N 3 1 373.585 3.463 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420899939 500526028 /nfs/dbraw/zinc/52/60/28/500526028.db2.gz GZEASIZSWVAIIW-UHFFFAOYSA-N 3 1 373.585 3.463 20 0 FGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000420917621 500530260 /nfs/dbraw/zinc/53/02/60/500530260.db2.gz SYWBVQDGASSZGW-QFIPXVFZSA-N 2 1 354.494 3.074 20 0 FGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H](CCO)c1ccccc1 ZINC000420917621 500530262 /nfs/dbraw/zinc/53/02/62/500530262.db2.gz SYWBVQDGASSZGW-QFIPXVFZSA-N 2 1 354.494 3.074 20 0 FGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420922960 500530780 /nfs/dbraw/zinc/53/07/80/500530780.db2.gz OZRLYZVEJFNYEN-HXUWFJFHSA-N 2 1 374.525 3.073 20 0 FGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420956369 500540266 /nfs/dbraw/zinc/54/02/66/500540266.db2.gz ZKVSWTJRAUSWBN-FQEVSTJZSA-N 2 1 354.498 3.196 20 0 FGADMP Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420956369 500540267 /nfs/dbraw/zinc/54/02/67/500540267.db2.gz ZKVSWTJRAUSWBN-FQEVSTJZSA-N 2 1 354.498 3.196 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000428706501 500546562 /nfs/dbraw/zinc/54/65/62/500546562.db2.gz ARGPFUIRRURBIU-RTWAWAEBSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000428706501 500546564 /nfs/dbraw/zinc/54/65/64/500546564.db2.gz ARGPFUIRRURBIU-RTWAWAEBSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000428706501 500546565 /nfs/dbraw/zinc/54/65/65/500546565.db2.gz ARGPFUIRRURBIU-RTWAWAEBSA-N 2 1 357.542 3.475 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@@H]1CCC[NH2+]1 ZINC000582400594 506202571 /nfs/dbraw/zinc/20/25/71/506202571.db2.gz OHDSWCKYGRSFPL-JGSZGBJESA-N 2 1 373.585 3.173 20 0 FGADMP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC(CC[NH3+])CC2)cs1 ZINC000573498480 506204746 /nfs/dbraw/zinc/20/47/46/506204746.db2.gz FJLQKUSXRCSFIQ-UHFFFAOYSA-N 2 1 372.538 3.194 20 0 FGADMP Cc1ccccc1C[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000447406894 500601731 /nfs/dbraw/zinc/60/17/31/500601731.db2.gz XSUXBZRIIQSORV-DENIHFKCSA-N 2 1 367.537 3.277 20 0 FGADMP CC(C)[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000447436281 500605666 /nfs/dbraw/zinc/60/56/66/500605666.db2.gz VOIUTKCRQLGJNO-GGAORHGYSA-N 2 1 365.521 3.060 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000447446140 500607349 /nfs/dbraw/zinc/60/73/49/500607349.db2.gz HSKUUMHSNCMBDS-YVHKJVDXSA-N 2 1 367.493 3.108 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767480 500623245 /nfs/dbraw/zinc/62/32/45/500623245.db2.gz QVVZFQGEFWPFHV-SJLPKXTDSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000442767480 500623246 /nfs/dbraw/zinc/62/32/46/500623246.db2.gz QVVZFQGEFWPFHV-SJLPKXTDSA-N 2 1 361.505 3.156 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589080 500630356 /nfs/dbraw/zinc/63/03/56/500630356.db2.gz WWEWCFQJZGAWSL-YUMYIRISSA-N 2 1 370.537 3.500 20 0 FGADMP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000433156654 500636063 /nfs/dbraw/zinc/63/60/63/500636063.db2.gz JXRYSOQUHGZUCX-HNNXBMFYSA-N 2 1 372.340 3.305 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1OCC ZINC000442870614 500637034 /nfs/dbraw/zinc/63/70/34/500637034.db2.gz GGZSIQMLIQTPTK-QGZVFWFLSA-N 2 1 363.546 3.161 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC(F)(F)F)c1 ZINC000442873702 500637756 /nfs/dbraw/zinc/63/77/56/500637756.db2.gz LCJPWXVNIWRKDU-AWEZNQCLSA-N 2 1 359.436 3.262 20 0 FGADMP COc1ccc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc2)cc1 ZINC000442875989 500637804 /nfs/dbraw/zinc/63/78/04/500637804.db2.gz QEDCACJLWPSRLY-QFIPXVFZSA-N 2 1 367.537 3.400 20 0 FGADMP COc1ccc2oc([C@@H](C)[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)c(C)c2c1 ZINC000442879524 500638884 /nfs/dbraw/zinc/63/88/84/500638884.db2.gz WNLFBWLHUIHDTJ-MRXNPFEDSA-N 2 1 359.514 3.426 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442902272 500644262 /nfs/dbraw/zinc/64/42/62/500644262.db2.gz QCEDQSSMOGMXME-NFBKMPQASA-N 2 1 369.553 3.278 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)C1 ZINC000442917701 500646578 /nfs/dbraw/zinc/64/65/78/500646578.db2.gz BEJVPYCEIBIUGB-LBPRGKRZSA-N 2 1 354.285 3.135 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000442926089 500648248 /nfs/dbraw/zinc/64/82/48/500648248.db2.gz XQPDYCLRAAUYNH-SFHVURJKSA-N 2 1 361.493 3.495 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)c2C)cc1 ZINC000442925695 500648479 /nfs/dbraw/zinc/64/84/79/500648479.db2.gz WENJHRRQSQOCAE-SFHVURJKSA-N 2 1 356.514 3.118 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000433351493 500679005 /nfs/dbraw/zinc/67/90/05/500679005.db2.gz JBGQTWWYSWYYFI-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000433351493 500679007 /nfs/dbraw/zinc/67/90/07/500679007.db2.gz JBGQTWWYSWYYFI-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000437864114 500708733 /nfs/dbraw/zinc/70/87/33/500708733.db2.gz IGGOZGWSUVTAQR-VQTJNVASSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000437864114 500708734 /nfs/dbraw/zinc/70/87/34/500708734.db2.gz IGGOZGWSUVTAQR-VQTJNVASSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000437864114 500708736 /nfs/dbraw/zinc/70/87/36/500708736.db2.gz IGGOZGWSUVTAQR-VQTJNVASSA-N 2 1 362.562 3.100 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433567998 500713856 /nfs/dbraw/zinc/71/38/56/500713856.db2.gz KBKBNRZABGUDDW-QWFCFKBJSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000433588795 500717349 /nfs/dbraw/zinc/71/73/49/500717349.db2.gz BDFOBNAOFZTNEI-BZDYGPBWSA-N 2 1 374.573 3.500 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000448211733 500733503 /nfs/dbraw/zinc/73/35/03/500733503.db2.gz DYTZEUHWDNXQKD-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000448211733 500733505 /nfs/dbraw/zinc/73/35/05/500733505.db2.gz DYTZEUHWDNXQKD-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000448211733 500733508 /nfs/dbraw/zinc/73/35/08/500733508.db2.gz DYTZEUHWDNXQKD-CTNGQTDRSA-N 2 1 374.573 3.174 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615082 500745598 /nfs/dbraw/zinc/74/55/98/500745598.db2.gz HZJRPSZVZMPZAA-DLBZAZTESA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615082 500745601 /nfs/dbraw/zinc/74/56/01/500745601.db2.gz HZJRPSZVZMPZAA-DLBZAZTESA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000443615082 500745605 /nfs/dbraw/zinc/74/56/05/500745605.db2.gz HZJRPSZVZMPZAA-DLBZAZTESA-N 2 1 358.448 3.415 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000438318538 500769028 /nfs/dbraw/zinc/76/90/28/500769028.db2.gz DRPZNIWJPQCUAB-LJQANCHMSA-N 2 1 352.567 3.157 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](CC)CC3)cc1)C1CC1 ZINC000434056525 500788467 /nfs/dbraw/zinc/78/84/67/500788467.db2.gz HXFCHZDAVXIWGN-RTWAWAEBSA-N 2 1 355.526 3.370 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000444226571 500820204 /nfs/dbraw/zinc/82/02/04/500820204.db2.gz PJPLEUWJTYXZQN-SFHVURJKSA-N 2 1 351.441 3.244 20 0 FGADMP O=C([C@@H]1C[C@]12CC[NH2+]C2)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265576 500826596 /nfs/dbraw/zinc/82/65/96/500826596.db2.gz AYEBPTJGPCZNRD-UNMCSNQZSA-N 2 1 367.537 3.033 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3c2cnn3C)CC1 ZINC000449075287 500918604 /nfs/dbraw/zinc/91/86/04/500918604.db2.gz MOKSOGCPSSOWHV-UWJYYQICSA-N 2 1 352.526 3.483 20 0 FGADMP CC[NH+]1CCN([C@@H](C)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079779 500919684 /nfs/dbraw/zinc/91/96/84/500919684.db2.gz PXUUIJZSSCYCSJ-IBGZPJMESA-N 2 1 366.638 3.281 20 0 FGADMP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000449081080 500919697 /nfs/dbraw/zinc/91/96/97/500919697.db2.gz BPKGLZAPEWIPEI-CALCHBBNSA-N 2 1 355.530 3.374 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000449116593 500928851 /nfs/dbraw/zinc/92/88/51/500928851.db2.gz QABQLIBEKVADCF-AABGKKOBSA-N 2 1 371.569 3.461 20 0 FGADMP C[C@H](Cc1ccoc1)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000449115337 500928929 /nfs/dbraw/zinc/92/89/29/500928929.db2.gz HCAMQHOBWQPOBL-GOSISDBHSA-N 2 1 372.509 3.490 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449134131 500932494 /nfs/dbraw/zinc/93/24/94/500932494.db2.gz HCKWGUKNUXZBNY-YQVWRLOYSA-N 2 1 363.933 3.153 20 0 FGADMP COc1cc2ccccc2cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000449195101 500945821 /nfs/dbraw/zinc/94/58/21/500945821.db2.gz WBBAHYASPTXVEZ-RTWAWAEBSA-N 2 1 354.494 3.316 20 0 FGADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449195892 500945863 /nfs/dbraw/zinc/94/58/63/500945863.db2.gz WTPCWBMUJVJXIX-IRXDYDNUSA-N 2 1 371.294 3.056 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435373029 500961308 /nfs/dbraw/zinc/96/13/08/500961308.db2.gz CTVSZZRQJCETMI-INIZCTEOSA-N 2 1 356.514 3.355 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C(C)(C)C)nc2-c2cccc(OC)c2)C1 ZINC000435373029 500961312 /nfs/dbraw/zinc/96/13/12/500961312.db2.gz CTVSZZRQJCETMI-INIZCTEOSA-N 2 1 356.514 3.355 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000435375953 500963288 /nfs/dbraw/zinc/96/32/88/500963288.db2.gz PEYSVLSVULKWLP-UHFFFAOYSA-N 2 1 363.303 3.175 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000435380480 500963941 /nfs/dbraw/zinc/96/39/41/500963941.db2.gz NZVHMNUDRCIDMI-UCLAIMLFSA-N 2 1 360.452 3.327 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([N@@H+](C)CCCNC(=O)C2CCC2)CC1 ZINC000449282636 500965968 /nfs/dbraw/zinc/96/59/68/500965968.db2.gz IJNWCWXCPZEZPR-LJQANCHMSA-N 2 1 371.569 3.320 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435387029 500966149 /nfs/dbraw/zinc/96/61/49/500966149.db2.gz WKCDPZPPVMIYGQ-QKYXUNIQSA-N 2 1 358.917 3.371 20 0 FGADMP COc1ccc([C@@H](C)C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432065 500974762 /nfs/dbraw/zinc/97/47/62/500974762.db2.gz LJUTZNVMFRIMJH-PXNSSMCTSA-N 2 1 368.525 3.177 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115665 500976400 /nfs/dbraw/zinc/97/64/00/500976400.db2.gz BPQAJQFTNIWCFY-YFVAEKQCSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115665 500976402 /nfs/dbraw/zinc/97/64/02/500976402.db2.gz BPQAJQFTNIWCFY-YFVAEKQCSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115665 500976403 /nfs/dbraw/zinc/97/64/03/500976403.db2.gz BPQAJQFTNIWCFY-YFVAEKQCSA-N 2 1 355.526 3.345 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1cccc(Br)c1F ZINC000449325118 500977284 /nfs/dbraw/zinc/97/72/84/500977284.db2.gz KBXSZOIGXACXIA-UHFFFAOYSA-N 2 1 372.326 3.046 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000449325565 500977807 /nfs/dbraw/zinc/97/78/07/500977807.db2.gz NOEPJGAZUQWDQQ-IYBDPMFKSA-N 2 1 352.544 3.147 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000449325565 500977809 /nfs/dbraw/zinc/97/78/09/500977809.db2.gz NOEPJGAZUQWDQQ-IYBDPMFKSA-N 2 1 352.544 3.147 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000440171715 500983747 /nfs/dbraw/zinc/98/37/47/500983747.db2.gz BJIBQKZUIBXWJW-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000440171715 500983749 /nfs/dbraw/zinc/98/37/49/500983749.db2.gz BJIBQKZUIBXWJW-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000440171715 500983752 /nfs/dbraw/zinc/98/37/52/500983752.db2.gz BJIBQKZUIBXWJW-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C[C@H]1C ZINC000440185767 500985179 /nfs/dbraw/zinc/98/51/79/500985179.db2.gz LACZOBMNIDPUIR-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)C[C@H]1C ZINC000440185767 500985182 /nfs/dbraw/zinc/98/51/82/500985182.db2.gz LACZOBMNIDPUIR-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)C[C@H]1C ZINC000440185767 500985184 /nfs/dbraw/zinc/98/51/84/500985184.db2.gz LACZOBMNIDPUIR-QYZOEREBSA-N 2 1 352.567 3.011 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1cccc(F)c1 ZINC000449365033 500987992 /nfs/dbraw/zinc/98/79/92/500987992.db2.gz UWKQAZBHMFQSEH-QFIPXVFZSA-N 2 1 356.485 3.026 20 0 FGADMP O=C(CC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1ccccc1 ZINC000435614581 501002130 /nfs/dbraw/zinc/00/21/30/501002130.db2.gz FGKWEAOFYMUODS-HXUWFJFHSA-N 2 1 352.482 3.055 20 0 FGADMP O=C(CC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)Nc1ccccc1 ZINC000435614581 501002134 /nfs/dbraw/zinc/00/21/34/501002134.db2.gz FGKWEAOFYMUODS-HXUWFJFHSA-N 2 1 352.482 3.055 20 0 FGADMP CC[C@H](NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628652 501004772 /nfs/dbraw/zinc/00/47/72/501004772.db2.gz VOZFBAXPCFTJCI-MSOLQXFVSA-N 2 1 351.922 3.371 20 0 FGADMP CC[C@H](NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628652 501004773 /nfs/dbraw/zinc/00/47/73/501004773.db2.gz VOZFBAXPCFTJCI-MSOLQXFVSA-N 2 1 351.922 3.371 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435684653 501011461 /nfs/dbraw/zinc/01/14/61/501011461.db2.gz WBVWWRCFKBBXJG-IBGZPJMESA-N 2 1 369.534 3.252 20 0 FGADMP CC(C)(C)CCNC(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693226 501013599 /nfs/dbraw/zinc/01/35/99/501013599.db2.gz LMWRURXBJRTAMZ-KRWDZBQOSA-N 2 1 363.571 3.245 20 0 FGADMP CC(C)(C)CCNC(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435693226 501013602 /nfs/dbraw/zinc/01/36/02/501013602.db2.gz LMWRURXBJRTAMZ-KRWDZBQOSA-N 2 1 363.571 3.245 20 0 FGADMP Cc1cc(C)c(C[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435695168 501013703 /nfs/dbraw/zinc/01/37/03/501013703.db2.gz QKDVILIUKVMYHQ-HXUWFJFHSA-N 2 1 352.526 3.490 20 0 FGADMP Cc1cc(C)c(C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c(C)c1 ZINC000435695168 501013706 /nfs/dbraw/zinc/01/37/06/501013706.db2.gz QKDVILIUKVMYHQ-HXUWFJFHSA-N 2 1 352.526 3.490 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](OCC)[C@H](C)C2)CC1 ZINC000449491489 501015786 /nfs/dbraw/zinc/01/57/86/501015786.db2.gz HCCWTKQUPVYVAK-KNQAVFIVSA-N 2 1 359.558 3.466 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495498 501017413 /nfs/dbraw/zinc/01/74/13/501017413.db2.gz HUGSRGKVBARWAY-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495498 501017415 /nfs/dbraw/zinc/01/74/15/501017415.db2.gz HUGSRGKVBARWAY-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495498 501017417 /nfs/dbraw/zinc/01/74/17/501017417.db2.gz HUGSRGKVBARWAY-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000449495498 501017420 /nfs/dbraw/zinc/01/74/20/501017420.db2.gz HUGSRGKVBARWAY-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP Cc1ncsc1C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CC[NH2+]C1 ZINC000435737378 501020945 /nfs/dbraw/zinc/02/09/45/501020945.db2.gz HOSRAAWPQKGQGK-KRWDZBQOSA-N 2 1 357.523 3.041 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000440811174 501051209 /nfs/dbraw/zinc/05/12/09/501051209.db2.gz XJYAEPHUIIETMI-OAHLLOKOSA-N 2 1 352.404 3.083 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000440811174 501051212 /nfs/dbraw/zinc/05/12/12/501051212.db2.gz XJYAEPHUIIETMI-OAHLLOKOSA-N 2 1 352.404 3.083 20 0 FGADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCSc1ccccc1Cl ZINC000436061542 501064082 /nfs/dbraw/zinc/06/40/82/501064082.db2.gz QDDIKPVAEWFCNJ-HNNXBMFYSA-N 2 1 369.962 3.142 20 0 FGADMP C[C@H](C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925313 501064230 /nfs/dbraw/zinc/06/42/30/501064230.db2.gz WXFFTUOFTCRQSG-OPYAIIAOSA-N 2 1 369.553 3.071 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)CCC2CC2)[NH+]2CCCCC2)cc1 ZINC000441220584 501104759 /nfs/dbraw/zinc/10/47/59/501104759.db2.gz CPBVZFYGJHRIQT-OAQYLSRUSA-N 2 1 373.541 3.070 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(OC(F)(F)F)c1 ZINC000441248805 501108679 /nfs/dbraw/zinc/10/86/79/501108679.db2.gz AZCXZINDFMOSPM-BPQIPLTHSA-N 2 1 372.431 3.311 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC/C=C\c3ccccc3)CC2)CC1 ZINC000450391087 501109862 /nfs/dbraw/zinc/10/98/62/501109862.db2.gz LRCUVLDCYPKHRQ-POHAHGRESA-N 2 1 369.553 3.356 20 0 FGADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000441348723 501125243 /nfs/dbraw/zinc/12/52/43/501125243.db2.gz CVWYOZULAGBXMU-HNNXBMFYSA-N 2 1 368.363 3.168 20 0 FGADMP Cc1ccc([C@H]2CCC[C@@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352999 501125779 /nfs/dbraw/zinc/12/57/79/501125779.db2.gz LGZDPFCDMRXLBI-YADHBBJMSA-N 2 1 369.553 3.306 20 0 FGADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000450467277 501128080 /nfs/dbraw/zinc/12/80/80/501128080.db2.gz IKRYFNUSHOOTTM-CVDCTZTESA-N 2 1 367.537 3.185 20 0 FGADMP COc1cc(-c2ccccc2)ccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441370465 501129083 /nfs/dbraw/zinc/12/90/83/501129083.db2.gz HRODZTKNKDCJRV-UHFFFAOYSA-N 2 1 367.537 3.478 20 0 FGADMP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000446750349 501161053 /nfs/dbraw/zinc/16/10/53/501161053.db2.gz GINSWFNGDNSHLI-NQIIRXRSSA-N 2 1 371.529 3.272 20 0 FGADMP C[C@H]1C[C@@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000451057711 501242461 /nfs/dbraw/zinc/24/24/61/501242461.db2.gz FAFCWZCCFQFBKF-SLUIBLPYSA-N 2 1 366.933 3.030 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453106004 501270083 /nfs/dbraw/zinc/27/00/83/501270083.db2.gz YCQXJUZBCREWQX-ZLNRFVROSA-N 2 1 369.553 3.278 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453106649 501270544 /nfs/dbraw/zinc/27/05/44/501270544.db2.gz ZAQXGFCXXYBKMB-PKOBYXMFSA-N 2 1 363.933 3.358 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453183495 501286827 /nfs/dbraw/zinc/28/68/27/501286827.db2.gz SKZFFESDHXTDFU-NJYVYQBISA-N 2 1 357.542 3.182 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457804723 501312782 /nfs/dbraw/zinc/31/27/82/501312782.db2.gz UMPYDTIHEFFHHY-IBGZPJMESA-N 2 1 360.546 3.071 20 0 FGADMP COc1cccc([C@H](C)N2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533021 501315166 /nfs/dbraw/zinc/31/51/66/501315166.db2.gz LRMYSLKLVSJRFP-ICSRJNTNSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)N2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533021 501315169 /nfs/dbraw/zinc/31/51/69/501315169.db2.gz LRMYSLKLVSJRFP-ICSRJNTNSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533021 501315173 /nfs/dbraw/zinc/31/51/73/501315173.db2.gz LRMYSLKLVSJRFP-ICSRJNTNSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533021 501315175 /nfs/dbraw/zinc/31/51/75/501315175.db2.gz LRMYSLKLVSJRFP-ICSRJNTNSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533021 501315177 /nfs/dbraw/zinc/31/51/77/501315177.db2.gz LRMYSLKLVSJRFP-ICSRJNTNSA-N 2 1 373.541 3.022 20 0 FGADMP COc1cccc([C@H](C)[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)c1 ZINC000451533021 501315182 /nfs/dbraw/zinc/31/51/82/501315182.db2.gz LRMYSLKLVSJRFP-ICSRJNTNSA-N 2 1 373.541 3.022 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000453331361 501315950 /nfs/dbraw/zinc/31/59/50/501315950.db2.gz FGHZKEUDQVEFRL-XBZUYWNMSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccnn2C)C1 ZINC000453331361 501315953 /nfs/dbraw/zinc/31/59/53/501315953.db2.gz FGHZKEUDQVEFRL-XBZUYWNMSA-N 2 1 368.525 3.140 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540898 501317617 /nfs/dbraw/zinc/31/76/17/501317617.db2.gz XVTSFAPSTTZVGI-HKUYNNGSSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540898 501317619 /nfs/dbraw/zinc/31/76/19/501317619.db2.gz XVTSFAPSTTZVGI-HKUYNNGSSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540898 501317621 /nfs/dbraw/zinc/31/76/21/501317621.db2.gz XVTSFAPSTTZVGI-HKUYNNGSSA-N 2 1 361.505 3.153 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000453428932 501330338 /nfs/dbraw/zinc/33/03/38/501330338.db2.gz IAOSQTJILXFPPW-VFUGHAIPSA-N 2 1 355.526 3.173 20 0 FGADMP Cc1cccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000607736055 506247776 /nfs/dbraw/zinc/24/77/76/506247776.db2.gz GTYWONFMAJNLIK-OAQYLSRUSA-N 2 1 355.526 3.183 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)cc2c1OCC2)C1CC1 ZINC000453591499 501356470 /nfs/dbraw/zinc/35/64/70/501356470.db2.gz CKCUACPSCCKOQJ-UHFFFAOYSA-N 2 1 353.304 3.348 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@H]3[N@@H+](C)CCCC3(C)C)ccc21 ZINC000455863800 501402205 /nfs/dbraw/zinc/40/22/05/501402205.db2.gz SIJIVVSVHNHVOQ-OALUTQOASA-N 2 1 358.530 3.477 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455933967 501419848 /nfs/dbraw/zinc/41/98/48/501419848.db2.gz QSIFPSICKZZRDM-UYAOXDASSA-N 2 1 358.530 3.477 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)C1 ZINC000458373644 501430091 /nfs/dbraw/zinc/43/00/91/501430091.db2.gz IVOUPEILNNHVAI-GHTZIAJQSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)C1 ZINC000458373644 501430094 /nfs/dbraw/zinc/43/00/94/501430094.db2.gz IVOUPEILNNHVAI-GHTZIAJQSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)C1 ZINC000458373644 501430095 /nfs/dbraw/zinc/43/00/95/501430095.db2.gz IVOUPEILNNHVAI-GHTZIAJQSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000458381085 501431590 /nfs/dbraw/zinc/43/15/90/501431590.db2.gz VOPCQUPYLKDMNN-AVRDEDQJSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000458379598 501431901 /nfs/dbraw/zinc/43/19/01/501431901.db2.gz SUSSBXZQQYVMAZ-MJGOQNOKSA-N 2 1 360.546 3.240 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@@H](C)C2)cc1 ZINC000452175939 501453924 /nfs/dbraw/zinc/45/39/24/501453924.db2.gz UVGXMUCYQVOREH-GOSISDBHSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000452175939 501453928 /nfs/dbraw/zinc/45/39/28/501453928.db2.gz UVGXMUCYQVOREH-GOSISDBHSA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000452175939 501453930 /nfs/dbraw/zinc/45/39/30/501453930.db2.gz UVGXMUCYQVOREH-GOSISDBHSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000456320014 501497281 /nfs/dbraw/zinc/49/72/81/501497281.db2.gz CALBINGQTQRGOK-LJQANCHMSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358528 501522457 /nfs/dbraw/zinc/52/24/57/501522457.db2.gz GRXINQMSPZZSHK-CTNGQTDRSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454367395 501524831 /nfs/dbraw/zinc/52/48/31/501524831.db2.gz DUAZJQAGKGSQAO-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000458936315 501562231 /nfs/dbraw/zinc/56/22/31/501562231.db2.gz NDYSQKOOBDJDTI-MOPGFXCFSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972861 501568335 /nfs/dbraw/zinc/56/83/35/501568335.db2.gz LGCZSFFSCRQFPD-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972861 501568339 /nfs/dbraw/zinc/56/83/39/501568339.db2.gz LGCZSFFSCRQFPD-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972861 501568341 /nfs/dbraw/zinc/56/83/41/501568341.db2.gz LGCZSFFSCRQFPD-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459273302 501623108 /nfs/dbraw/zinc/62/31/08/501623108.db2.gz YCDLAFFLHICREO-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273302 501623110 /nfs/dbraw/zinc/62/31/10/501623110.db2.gz YCDLAFFLHICREO-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273302 501623113 /nfs/dbraw/zinc/62/31/13/501623113.db2.gz YCDLAFFLHICREO-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP c1ccc(CN2CC[C@H]([NH+]3CCC(CCCN4CCOCC4)CC3)C2)cc1 ZINC000459411277 501648857 /nfs/dbraw/zinc/64/88/57/501648857.db2.gz OCLNOMVKRRZBED-QHCPKHFHSA-N 2 1 371.569 3.085 20 0 FGADMP COc1cc(Br)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459731191 501705774 /nfs/dbraw/zinc/70/57/74/501705774.db2.gz KUMIKCCNBGBWHZ-ZDUSSCGKSA-N 2 1 371.319 3.288 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459796020 501715118 /nfs/dbraw/zinc/71/51/18/501715118.db2.gz VXSZYZTURDCXLP-ZWKOTPCHSA-N 2 1 371.525 3.163 20 0 FGADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCCCC1 ZINC000460186395 501752989 /nfs/dbraw/zinc/75/29/89/501752989.db2.gz XZGLEZVGAJONRO-OAQYLSRUSA-N 2 1 371.569 3.179 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000467293282 501761028 /nfs/dbraw/zinc/76/10/28/501761028.db2.gz JFJCQBYHRNGDEK-LVCYWYKZSA-N 2 1 373.541 3.211 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460359437 501803269 /nfs/dbraw/zinc/80/32/69/501803269.db2.gz FNSWPKPBHNMKJP-FHWLQOOXSA-N 2 1 374.573 3.171 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000464068471 501889245 /nfs/dbraw/zinc/88/92/45/501889245.db2.gz XKMOMLQYISLNRJ-IITNATTFSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1c1ccccc1 ZINC000464068471 501889253 /nfs/dbraw/zinc/88/92/53/501889253.db2.gz XKMOMLQYISLNRJ-IITNATTFSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000467984558 501920949 /nfs/dbraw/zinc/92/09/49/501920949.db2.gz OXTNLQJQAOZEEU-HUUCEWRRSA-N 2 1 350.532 3.186 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000471140871 501932640 /nfs/dbraw/zinc/93/26/40/501932640.db2.gz CIBYANYPQQISLJ-YUXAGFNASA-N 2 1 365.521 3.459 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005151 501944487 /nfs/dbraw/zinc/94/44/87/501944487.db2.gz JYERDXFAHBRYAY-SJLPKXTDSA-N 2 1 367.331 3.218 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005151 501944492 /nfs/dbraw/zinc/94/44/92/501944492.db2.gz JYERDXFAHBRYAY-SJLPKXTDSA-N 2 1 367.331 3.218 20 0 FGADMP C[NH+](C)CCN(Cc1cccs1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471352189 501996324 /nfs/dbraw/zinc/99/63/24/501996324.db2.gz RLPRTVCHJQTATE-UHFFFAOYSA-N 2 1 371.550 3.087 20 0 FGADMP Cc1ccc([C@H](CNC(=O)CC[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000471379419 502004954 /nfs/dbraw/zinc/00/49/54/502004954.db2.gz IEFYMDNRBNUUJM-QFIPXVFZSA-N 2 1 365.521 3.162 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000471491377 502043990 /nfs/dbraw/zinc/04/39/90/502043990.db2.gz JGZCXDFNWNAURV-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259976 502054981 /nfs/dbraw/zinc/05/49/81/502054981.db2.gz GBWRDNQSILZXBF-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461259976 502054986 /nfs/dbraw/zinc/05/49/86/502054986.db2.gz GBWRDNQSILZXBF-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461259976 502054992 /nfs/dbraw/zinc/05/49/92/502054992.db2.gz GBWRDNQSILZXBF-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269414 502058067 /nfs/dbraw/zinc/05/80/67/502058067.db2.gz XCIVBYKKDXHOPT-ZWKOTPCHSA-N 2 1 351.922 3.276 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269414 502058071 /nfs/dbraw/zinc/05/80/71/502058071.db2.gz XCIVBYKKDXHOPT-ZWKOTPCHSA-N 2 1 351.922 3.276 20 0 FGADMP C[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@H+]1CCCC[C@H]1C ZINC000468467389 502068701 /nfs/dbraw/zinc/06/87/01/502068701.db2.gz AKOVAMKZXZCLCH-IAGOWNOFSA-N 2 1 352.482 3.240 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642189 506291565 /nfs/dbraw/zinc/29/15/65/506291565.db2.gz ZMDWTKDRQLMDQT-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642189 506291573 /nfs/dbraw/zinc/29/15/73/506291573.db2.gz ZMDWTKDRQLMDQT-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000588642189 506291578 /nfs/dbraw/zinc/29/15/78/506291578.db2.gz ZMDWTKDRQLMDQT-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000588642189 506291586 /nfs/dbraw/zinc/29/15/86/506291586.db2.gz ZMDWTKDRQLMDQT-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000475136784 502075007 /nfs/dbraw/zinc/07/50/07/502075007.db2.gz PFKHECVAVBNQOT-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000475136784 502075014 /nfs/dbraw/zinc/07/50/14/502075014.db2.gz PFKHECVAVBNQOT-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000475136784 502075020 /nfs/dbraw/zinc/07/50/20/502075020.db2.gz PFKHECVAVBNQOT-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168924 502088584 /nfs/dbraw/zinc/08/85/84/502088584.db2.gz BBVWBZDFUUMLDM-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475168924 502088590 /nfs/dbraw/zinc/08/85/90/502088590.db2.gz BBVWBZDFUUMLDM-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475168924 502088596 /nfs/dbraw/zinc/08/85/96/502088596.db2.gz BBVWBZDFUUMLDM-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475170324 502088910 /nfs/dbraw/zinc/08/89/10/502088910.db2.gz CGTKTFXKCATMID-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)c1ccccc1 ZINC000464825197 502108125 /nfs/dbraw/zinc/10/81/25/502108125.db2.gz CFMWQLVOADXIJN-CTNGQTDRSA-N 2 1 374.573 3.347 20 0 FGADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837352 502113243 /nfs/dbraw/zinc/11/32/43/502113243.db2.gz MVYNOKCCIMLMSL-BEFAXECRSA-N 2 1 359.514 3.104 20 0 FGADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837352 502113247 /nfs/dbraw/zinc/11/32/47/502113247.db2.gz MVYNOKCCIMLMSL-BEFAXECRSA-N 2 1 359.514 3.104 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C2CC2)O1 ZINC000475277165 502115213 /nfs/dbraw/zinc/11/52/13/502115213.db2.gz DKAUNUALKUJAND-VGOFRKELSA-N 2 1 357.542 3.216 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000461443158 502116439 /nfs/dbraw/zinc/11/64/39/502116439.db2.gz GKTZXEIZMXRHGB-VXKWHMMOSA-N 2 1 369.553 3.087 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CC1 ZINC000461443159 502117096 /nfs/dbraw/zinc/11/70/96/502117096.db2.gz GKTZXEIZMXRHGB-YADHBBJMSA-N 2 1 369.553 3.087 20 0 FGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475302334 502125701 /nfs/dbraw/zinc/12/57/01/502125701.db2.gz FLIGQNDJLGHEIH-OAQYLSRUSA-N 2 1 351.494 3.095 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC000461474929 502129279 /nfs/dbraw/zinc/12/92/79/502129279.db2.gz TXVJIHJCFOAUON-UXHICEINSA-N 2 1 366.509 3.179 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCc2[nH+]ccn21 ZINC000461474929 502129284 /nfs/dbraw/zinc/12/92/84/502129284.db2.gz TXVJIHJCFOAUON-UXHICEINSA-N 2 1 366.509 3.179 20 0 FGADMP COCCOc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000475362534 502149693 /nfs/dbraw/zinc/14/96/93/502149693.db2.gz YUXJXJVMDDMTNH-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP COCCOc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475362534 502149708 /nfs/dbraw/zinc/14/97/08/502149708.db2.gz YUXJXJVMDDMTNH-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP COCCOc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000475362534 502149723 /nfs/dbraw/zinc/14/97/23/502149723.db2.gz YUXJXJVMDDMTNH-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)NC1CCCC1 ZINC000471875215 502161228 /nfs/dbraw/zinc/16/12/28/502161228.db2.gz WJXUTRQDNSTOMM-TZIWHRDSSA-N 2 1 357.542 3.107 20 0 FGADMP CC[C@H](C(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@H+]1CC)[NH+](CC)CC ZINC000461642679 502161419 /nfs/dbraw/zinc/16/14/19/502161419.db2.gz NRWCFGBEQCCIMV-VQTJNVASSA-N 2 1 360.546 3.015 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000461724622 502180626 /nfs/dbraw/zinc/18/06/26/502180626.db2.gz JXRJRGIVWHBVRF-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207207 502192959 /nfs/dbraw/zinc/19/29/59/502192959.db2.gz IQYPZPDEMRRHKF-CZAAIQMYSA-N 2 1 369.484 3.037 20 0 FGADMP Fc1cccc(-c2cnc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)o2)c1 ZINC000475526558 502204284 /nfs/dbraw/zinc/20/42/84/502204284.db2.gz FZDSDQOOYMIQGL-UHFFFAOYSA-N 2 1 373.472 3.415 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000461799544 502206596 /nfs/dbraw/zinc/20/65/96/502206596.db2.gz QABUDIRPPLPJRE-SLFFLAALSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000461799544 502206601 /nfs/dbraw/zinc/20/66/01/502206601.db2.gz QABUDIRPPLPJRE-SLFFLAALSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000461799544 502206607 /nfs/dbraw/zinc/20/66/07/502206607.db2.gz QABUDIRPPLPJRE-SLFFLAALSA-N 2 1 366.594 3.403 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000482945143 502223430 /nfs/dbraw/zinc/22/34/30/502223430.db2.gz JLKSCGXBLBDFKB-UHFFFAOYSA-N 2 1 359.283 3.131 20 0 FGADMP Cc1ccc(C[N@@H+](CCO)Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000475632909 502236683 /nfs/dbraw/zinc/23/66/83/502236683.db2.gz FDODXHIWCZNLOD-UHFFFAOYSA-N 2 1 371.525 3.113 20 0 FGADMP Cc1ccc(C[N@H+](CCO)Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000475632909 502236687 /nfs/dbraw/zinc/23/66/87/502236687.db2.gz FDODXHIWCZNLOD-UHFFFAOYSA-N 2 1 371.525 3.113 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000472116367 502237334 /nfs/dbraw/zinc/23/73/34/502237334.db2.gz XHHMJTFQDQLHPC-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000472155561 502251276 /nfs/dbraw/zinc/25/12/76/502251276.db2.gz KTAPCSWUVFMTLX-LSTHTHJFSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000472155561 502251280 /nfs/dbraw/zinc/25/12/80/502251280.db2.gz KTAPCSWUVFMTLX-LSTHTHJFSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000472157700 502251521 /nfs/dbraw/zinc/25/15/21/502251521.db2.gz LZWSMPOMLZATSK-KRWDZBQOSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000472157700 502251530 /nfs/dbraw/zinc/25/15/30/502251530.db2.gz LZWSMPOMLZATSK-KRWDZBQOSA-N 2 1 371.525 3.305 20 0 FGADMP CCC[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000486842348 502281548 /nfs/dbraw/zinc/28/15/48/502281548.db2.gz HBUMKMXUBYBXCU-UHFFFAOYSA-N 2 1 365.521 3.486 20 0 FGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000479538327 502289974 /nfs/dbraw/zinc/28/99/74/502289974.db2.gz BRBWGYDREWUNOZ-BWAGFHJFSA-N 2 1 369.553 3.466 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266590 502290407 /nfs/dbraw/zinc/29/04/07/502290407.db2.gz UVWGUPOHHKEIPJ-ICSRJNTNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266590 502290410 /nfs/dbraw/zinc/29/04/10/502290410.db2.gz UVWGUPOHHKEIPJ-ICSRJNTNSA-N 2 1 361.530 3.063 20 0 FGADMP CN(Cc1nccn1CC(F)(F)F)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000483175226 502303200 /nfs/dbraw/zinc/30/32/00/502303200.db2.gz AUHOEDGSTDHWOW-AWEZNQCLSA-N 2 1 372.435 3.058 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156695 502327294 /nfs/dbraw/zinc/32/72/94/502327294.db2.gz DQJRXAAJJSYYCU-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156695 502327301 /nfs/dbraw/zinc/32/73/01/502327301.db2.gz DQJRXAAJJSYYCU-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156695 502327306 /nfs/dbraw/zinc/32/73/06/502327306.db2.gz DQJRXAAJJSYYCU-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccccc1 ZINC000462156695 502327312 /nfs/dbraw/zinc/32/73/12/502327312.db2.gz DQJRXAAJJSYYCU-NYVOZVTQSA-N 2 1 365.521 3.316 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000465621436 502328536 /nfs/dbraw/zinc/32/85/36/502328536.db2.gz AIIKUWVZKCITNI-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3ccccc3C[NH+](C)C)sc2C1 ZINC000487005656 502328722 /nfs/dbraw/zinc/32/87/22/502328722.db2.gz GLFLZVDZYIGVOW-UHFFFAOYSA-N 2 1 358.511 3.224 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3ccccc3C[NH+](C)C)sc2C1 ZINC000487005656 502328728 /nfs/dbraw/zinc/32/87/28/502328728.db2.gz GLFLZVDZYIGVOW-UHFFFAOYSA-N 2 1 358.511 3.224 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000487097760 502357928 /nfs/dbraw/zinc/35/79/28/502357928.db2.gz PWACJDOKPHIETD-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@@H]1C ZINC000462270796 502375329 /nfs/dbraw/zinc/37/53/29/502375329.db2.gz VTYXDKJIQJNVGY-PKOBYXMFSA-N 2 1 373.545 3.004 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@@H]1C ZINC000462270796 502375336 /nfs/dbraw/zinc/37/53/36/502375336.db2.gz VTYXDKJIQJNVGY-PKOBYXMFSA-N 2 1 373.545 3.004 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690846 506310407 /nfs/dbraw/zinc/31/04/07/506310407.db2.gz JPPOZVPIAJDHQV-FGZHOGPDSA-N 2 1 356.485 3.326 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)[C@@H](C)C1 ZINC000483433407 502391021 /nfs/dbraw/zinc/39/10/21/502391021.db2.gz MSEZSIREMDLNAF-ZVZYQTTQSA-N 2 1 366.347 3.348 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690846 506310415 /nfs/dbraw/zinc/31/04/15/506310415.db2.gz JPPOZVPIAJDHQV-FGZHOGPDSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690846 506310427 /nfs/dbraw/zinc/31/04/27/506310427.db2.gz JPPOZVPIAJDHQV-FGZHOGPDSA-N 2 1 356.485 3.326 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000588690846 506310431 /nfs/dbraw/zinc/31/04/31/506310431.db2.gz JPPOZVPIAJDHQV-FGZHOGPDSA-N 2 1 356.485 3.326 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F ZINC000483451383 502396989 /nfs/dbraw/zinc/39/69/89/502396989.db2.gz CPDMWYAHERJMJB-AIANPOQGSA-N 2 1 374.447 3.055 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](C)C1 ZINC000479876618 502406071 /nfs/dbraw/zinc/40/60/71/502406071.db2.gz UIFWXWCWXOGTPD-HSALFYBXSA-N 2 1 363.546 3.143 20 0 FGADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493984 502411439 /nfs/dbraw/zinc/41/14/39/502411439.db2.gz SRRMCTMQSRPGLK-FCHUYYIVSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493984 502411443 /nfs/dbraw/zinc/41/14/43/502411443.db2.gz SRRMCTMQSRPGLK-FCHUYYIVSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000483493984 502411445 /nfs/dbraw/zinc/41/14/45/502411445.db2.gz SRRMCTMQSRPGLK-FCHUYYIVSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000483493984 502411450 /nfs/dbraw/zinc/41/14/50/502411450.db2.gz SRRMCTMQSRPGLK-FCHUYYIVSA-N 2 1 352.526 3.486 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000465920851 502427862 /nfs/dbraw/zinc/42/78/62/502427862.db2.gz GIJQVSJBCFSTSZ-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000465923000 502428672 /nfs/dbraw/zinc/42/86/72/502428672.db2.gz QKTFGKAKUJHTND-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000465923000 502428678 /nfs/dbraw/zinc/42/86/78/502428678.db2.gz QKTFGKAKUJHTND-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465923000 502428683 /nfs/dbraw/zinc/42/86/83/502428683.db2.gz QKTFGKAKUJHTND-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000465922998 502429026 /nfs/dbraw/zinc/42/90/26/502429026.db2.gz QKTFGKAKUJHTND-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000465922998 502429029 /nfs/dbraw/zinc/42/90/29/502429029.db2.gz QKTFGKAKUJHTND-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465922998 502429031 /nfs/dbraw/zinc/42/90/31/502429031.db2.gz QKTFGKAKUJHTND-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1)[NH+](C)C ZINC000462423162 502433000 /nfs/dbraw/zinc/43/30/00/502433000.db2.gz WXAKUIOGKMTUQJ-OXQOHEQNSA-N 2 1 370.497 3.000 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483567415 502434336 /nfs/dbraw/zinc/43/43/36/502434336.db2.gz JIGPKKFTJBXAHI-NJYVYQBISA-N 2 1 357.542 3.086 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469491121 502437755 /nfs/dbraw/zinc/43/77/55/502437755.db2.gz BYSHJAFNJWKDBI-MRXNPFEDSA-N 2 1 368.319 3.324 20 0 FGADMP CCN1CCCC[C@@H]1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469491121 502437758 /nfs/dbraw/zinc/43/77/58/502437758.db2.gz BYSHJAFNJWKDBI-MRXNPFEDSA-N 2 1 368.319 3.324 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684102 502463039 /nfs/dbraw/zinc/46/30/39/502463039.db2.gz PISPWIOPWXSGPC-HLAWJBBLSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466042104 502463157 /nfs/dbraw/zinc/46/31/57/502463157.db2.gz XNRWRFBOHMIXEG-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042104 502463160 /nfs/dbraw/zinc/46/31/60/502463160.db2.gz XNRWRFBOHMIXEG-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042104 502463168 /nfs/dbraw/zinc/46/31/68/502463168.db2.gz XNRWRFBOHMIXEG-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC1)CC1CC1 ZINC000462521615 502473661 /nfs/dbraw/zinc/47/36/61/502473661.db2.gz BNUDRHKTJNISJH-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1)CC1CC1 ZINC000462521615 502473668 /nfs/dbraw/zinc/47/36/68/502473668.db2.gz BNUDRHKTJNISJH-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1)CC1CC1 ZINC000462521615 502473677 /nfs/dbraw/zinc/47/36/77/502473677.db2.gz BNUDRHKTJNISJH-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccncc3Cl)CC2)CC1 ZINC000473032544 502505680 /nfs/dbraw/zinc/50/56/80/502505680.db2.gz DPKFJSYYVQVDPQ-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccncc3Cl)CC2)CC1 ZINC000473032544 502505687 /nfs/dbraw/zinc/50/56/87/502505687.db2.gz DPKFJSYYVQVDPQ-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765931 502537154 /nfs/dbraw/zinc/53/71/54/502537154.db2.gz AETTYZOHUDQRBX-GOEBONIOSA-N 2 1 362.411 3.404 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)(F)C(F)F ZINC000469765931 502537160 /nfs/dbraw/zinc/53/71/60/502537160.db2.gz AETTYZOHUDQRBX-GOEBONIOSA-N 2 1 362.411 3.404 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(OC)CCCC3)CC2)cs1 ZINC000480350713 502544498 /nfs/dbraw/zinc/54/44/98/502544498.db2.gz BGALVYQDLGCWSA-UHFFFAOYSA-N 2 1 351.560 3.466 20 0 FGADMP C[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000487847252 502546646 /nfs/dbraw/zinc/54/66/46/502546646.db2.gz ZWSXSXCVOUFMAQ-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP Clc1sccc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000480380302 502552495 /nfs/dbraw/zinc/55/24/95/502552495.db2.gz CXQWTIPBFNLWHT-UHFFFAOYSA-N 2 1 350.919 3.098 20 0 FGADMP CC(C)c1cc(NC2CC[NH+](Cc3ccc(F)cc3)CC2)nc(N(C)C)[nH+]1 ZINC000462777665 502567816 /nfs/dbraw/zinc/56/78/16/502567816.db2.gz NSULARRCQUEBJL-UHFFFAOYSA-N 2 1 371.504 3.304 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487925161 502569707 /nfs/dbraw/zinc/56/97/07/502569707.db2.gz VUXPWAJXQAJZFD-KCLUMXDGSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)CC2 ZINC000480469136 502576869 /nfs/dbraw/zinc/57/68/69/502576869.db2.gz PGFCWRKEHNRCIG-INIZCTEOSA-N 2 1 373.570 3.334 20 0 FGADMP CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1nc3c(s1)C[N@H+](C(C)C)CC3)CC2 ZINC000480469136 502576872 /nfs/dbraw/zinc/57/68/72/502576872.db2.gz PGFCWRKEHNRCIG-INIZCTEOSA-N 2 1 373.570 3.334 20 0 FGADMP COc1ccccc1[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000484148281 502584135 /nfs/dbraw/zinc/58/41/35/502584135.db2.gz SBWMYQDKOBDPJJ-DSKINZAPSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000462823676 502589002 /nfs/dbraw/zinc/58/90/02/502589002.db2.gz WGUNHIGXGNYMNO-UZKOGDIHSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000462823676 502589008 /nfs/dbraw/zinc/58/90/08/502589008.db2.gz WGUNHIGXGNYMNO-UZKOGDIHSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000462823676 502589013 /nfs/dbraw/zinc/58/90/13/502589013.db2.gz WGUNHIGXGNYMNO-UZKOGDIHSA-N 2 1 369.553 3.278 20 0 FGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171858 502592567 /nfs/dbraw/zinc/59/25/67/502592567.db2.gz ZFELVUOIIMTVEE-FGZHOGPDSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(OC)cc1 ZINC000484171858 502592571 /nfs/dbraw/zinc/59/25/71/502592571.db2.gz ZFELVUOIIMTVEE-FGZHOGPDSA-N 2 1 354.494 3.373 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825265 502595896 /nfs/dbraw/zinc/59/58/96/502595896.db2.gz WKJKUSQAVIDKMH-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866754 502605295 /nfs/dbraw/zinc/60/52/95/502605295.db2.gz PKIQFMQMUXHTIG-PKTZIBPZSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@H]1CC[NH+](Cc2cccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866754 502605305 /nfs/dbraw/zinc/60/53/05/502605305.db2.gz PKIQFMQMUXHTIG-PKTZIBPZSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@H]1CC[NH+](Cc2cccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866754 502605312 /nfs/dbraw/zinc/60/53/12/502605312.db2.gz PKIQFMQMUXHTIG-PKTZIBPZSA-N 2 1 365.521 3.330 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480602955 502616656 /nfs/dbraw/zinc/61/66/56/502616656.db2.gz QRUPWMCNFORZME-ZACQAIPSSA-N 2 1 367.559 3.077 20 0 FGADMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000470016208 502631414 /nfs/dbraw/zinc/63/14/14/502631414.db2.gz DBYALSMXIQEMLU-INIZCTEOSA-N 2 1 353.304 3.422 20 0 FGADMP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCCC1 ZINC000473574040 502642030 /nfs/dbraw/zinc/64/20/30/502642030.db2.gz XBDQAZUFHYEOBB-OYRHEFFESA-N 2 1 369.553 3.089 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716644 502651807 /nfs/dbraw/zinc/65/18/07/502651807.db2.gz YODRUCXMSFORDZ-RXVVDRJESA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000480716644 502651816 /nfs/dbraw/zinc/65/18/16/502651816.db2.gz YODRUCXMSFORDZ-RXVVDRJESA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000480716644 502651824 /nfs/dbraw/zinc/65/18/24/502651824.db2.gz YODRUCXMSFORDZ-RXVVDRJESA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000470091324 502656866 /nfs/dbraw/zinc/65/68/66/502656866.db2.gz GDKOCTOTUPADQK-QGZVFWFLSA-N 2 1 361.530 3.187 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000473736355 502691759 /nfs/dbraw/zinc/69/17/59/502691759.db2.gz AKROZPLHTNTGGY-RTBURBONSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC000463143346 502705649 /nfs/dbraw/zinc/70/56/49/502705649.db2.gz NXBBBGHGYWVDSW-ACIOBRDBSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)N1CCOCC1 ZINC000463143346 502705654 /nfs/dbraw/zinc/70/56/54/502705654.db2.gz NXBBBGHGYWVDSW-ACIOBRDBSA-N 2 1 373.585 3.376 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000463141881 502705974 /nfs/dbraw/zinc/70/59/74/502705974.db2.gz OPIHRQYCPBZBHM-FQEVSTJZSA-N 2 1 370.468 3.262 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC000463143347 502706102 /nfs/dbraw/zinc/70/61/02/502706102.db2.gz NXBBBGHGYWVDSW-AKIFATBCSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)N1CCOCC1 ZINC000463143347 502706108 /nfs/dbraw/zinc/70/61/08/502706108.db2.gz NXBBBGHGYWVDSW-AKIFATBCSA-N 2 1 373.585 3.376 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CS[C@H](C(C)C)C3)cc2)CC1 ZINC000488418887 502709380 /nfs/dbraw/zinc/70/93/80/502709380.db2.gz TUVJPVPKVPBHRZ-RTWAWAEBSA-N 2 1 361.599 3.444 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000470227429 502710153 /nfs/dbraw/zinc/71/01/53/502710153.db2.gz FRANBFANEKAZFT-YADHBBJMSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000470227429 502710158 /nfs/dbraw/zinc/71/01/58/502710158.db2.gz FRANBFANEKAZFT-YADHBBJMSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000470227429 502710165 /nfs/dbraw/zinc/71/01/65/502710165.db2.gz FRANBFANEKAZFT-YADHBBJMSA-N 2 1 369.553 3.089 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026308 502731805 /nfs/dbraw/zinc/73/18/05/502731805.db2.gz RLFBXOBVXAFLLN-RXVVDRJESA-N 2 1 354.494 3.373 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499213 502733508 /nfs/dbraw/zinc/73/35/08/502733508.db2.gz NQPBZSHQGDKOOS-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488502411 502733941 /nfs/dbraw/zinc/73/39/41/502733941.db2.gz HWSMWTDUVXMJIT-KCZVDYSFSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000488502417 502734415 /nfs/dbraw/zinc/73/44/15/502734415.db2.gz HWSMWTDUVXMJIT-VWPQPMDRSA-N 2 1 372.557 3.213 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000474006778 502777331 /nfs/dbraw/zinc/77/73/31/502777331.db2.gz BZGSKCMSSFGCNS-OALUTQOASA-N 2 1 374.573 3.173 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)CC1 ZINC000474102169 502809802 /nfs/dbraw/zinc/80/98/02/502809802.db2.gz CUDDVKQEQLCHLD-NRFANRHFSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000500591292 502821899 /nfs/dbraw/zinc/82/18/99/502821899.db2.gz LJAGELHVJYIJTH-MHJFOBGBSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000500680292 502839001 /nfs/dbraw/zinc/83/90/01/502839001.db2.gz BKYJBWQCIUQJNY-OALUTQOASA-N 2 1 372.557 3.012 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000489091566 502878016 /nfs/dbraw/zinc/87/80/16/502878016.db2.gz ZPCAXOVNNBHSCV-UNMCSNQZSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000489091566 502878019 /nfs/dbraw/zinc/87/80/19/502878019.db2.gz ZPCAXOVNNBHSCV-UNMCSNQZSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000489091566 502878022 /nfs/dbraw/zinc/87/80/22/502878022.db2.gz ZPCAXOVNNBHSCV-UNMCSNQZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054761 502923083 /nfs/dbraw/zinc/92/30/83/502923083.db2.gz VBGWNIADWICTEV-OPYAIIAOSA-N 2 1 372.557 3.313 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+](C)[C@@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498053 502973497 /nfs/dbraw/zinc/97/34/97/502973497.db2.gz OEIXJKXFOYSCEZ-VQTJNVASSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)[C@@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498053 502973502 /nfs/dbraw/zinc/97/35/02/502973502.db2.gz OEIXJKXFOYSCEZ-VQTJNVASSA-N 2 1 373.541 3.069 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2nc1C ZINC000505760819 502980521 /nfs/dbraw/zinc/98/05/21/502980521.db2.gz YJMDXNDUEUFHJB-LJQANCHMSA-N 2 1 368.525 3.031 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]2CCC[C@H]21 ZINC000513666710 502995443 /nfs/dbraw/zinc/99/54/43/502995443.db2.gz NIEAGRXPRYDLCD-HFSMHLIXSA-N 2 1 350.510 3.323 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]2CCC[C@H]21 ZINC000513666710 502995445 /nfs/dbraw/zinc/99/54/45/502995445.db2.gz NIEAGRXPRYDLCD-HFSMHLIXSA-N 2 1 350.510 3.323 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000501383630 502997606 /nfs/dbraw/zinc/99/76/06/502997606.db2.gz UDSRHPIUIKPESS-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388318 502999523 /nfs/dbraw/zinc/99/95/23/502999523.db2.gz UCVCAEMMOMFERP-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388318 502999527 /nfs/dbraw/zinc/99/95/27/502999527.db2.gz UCVCAEMMOMFERP-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501388318 502999531 /nfs/dbraw/zinc/99/95/31/502999531.db2.gz UCVCAEMMOMFERP-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513683003 503000064 /nfs/dbraw/zinc/00/00/64/503000064.db2.gz DYLNNOUGCSHLKC-RYFAJOAYSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000489650169 503004008 /nfs/dbraw/zinc/00/40/08/503004008.db2.gz PXHVMZGCZIDPDE-BGYRXZFFSA-N 2 1 371.569 3.335 20 0 FGADMP CC(C)C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936287 503014772 /nfs/dbraw/zinc/01/47/72/503014772.db2.gz AWHIGIGMPDDPAN-QUCCMNQESA-N 2 1 363.521 3.130 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000501515800 503026814 /nfs/dbraw/zinc/02/68/14/503026814.db2.gz CUEOOZWPQBYORS-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000501515800 503026817 /nfs/dbraw/zinc/02/68/17/503026817.db2.gz CUEOOZWPQBYORS-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000501519034 503027365 /nfs/dbraw/zinc/02/73/65/503027365.db2.gz UHDPIHCZUFFNRR-ROUUACIJSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000501519635 503027452 /nfs/dbraw/zinc/02/74/52/503027452.db2.gz BPVSJYLCMIYPJH-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000501519635 503027453 /nfs/dbraw/zinc/02/74/53/503027453.db2.gz BPVSJYLCMIYPJH-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528324 503029667 /nfs/dbraw/zinc/02/96/67/503029667.db2.gz CSRADAQNBSONJN-SBHAEUEKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000501528322 503029910 /nfs/dbraw/zinc/02/99/10/503029910.db2.gz CSRADAQNBSONJN-DYXWJJEUSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000489829814 503044207 /nfs/dbraw/zinc/04/42/07/503044207.db2.gz JPYKCRDKQDXMFY-CTNGQTDRSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510080294 503044429 /nfs/dbraw/zinc/04/44/29/503044429.db2.gz UPYWYIUSGBHJQS-HSZRJFAPSA-N 2 1 371.569 3.419 20 0 FGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OCc1cccnc1 ZINC000489986560 503082749 /nfs/dbraw/zinc/08/27/49/503082749.db2.gz FQRBBNOSJKVWAC-LJQANCHMSA-N 2 1 355.482 3.373 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000514083816 503083498 /nfs/dbraw/zinc/08/34/98/503083498.db2.gz MUPQVRQPIXFFNY-NRDMVMEKSA-N 2 1 357.542 3.295 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305149 503088553 /nfs/dbraw/zinc/08/85/53/503088553.db2.gz DLIIYFNOJJFHCG-HBFSDRIKSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000510305149 503088557 /nfs/dbraw/zinc/08/85/57/503088557.db2.gz DLIIYFNOJJFHCG-HBFSDRIKSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000510305149 503088563 /nfs/dbraw/zinc/08/85/63/503088563.db2.gz DLIIYFNOJJFHCG-HBFSDRIKSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000510305151 503088981 /nfs/dbraw/zinc/08/89/81/503088981.db2.gz DLIIYFNOJJFHCG-WSTZPKSXSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000510305151 503088984 /nfs/dbraw/zinc/08/89/84/503088984.db2.gz DLIIYFNOJJFHCG-WSTZPKSXSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000510305151 503088988 /nfs/dbraw/zinc/08/89/88/503088988.db2.gz DLIIYFNOJJFHCG-WSTZPKSXSA-N 2 1 372.557 3.069 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000501856512 503095041 /nfs/dbraw/zinc/09/50/41/503095041.db2.gz JPLVJOWZOGFTQB-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000510384501 503104295 /nfs/dbraw/zinc/10/42/95/503104295.db2.gz MQRALRNIZQCZSM-JKSUJKDBSA-N 2 1 357.498 3.345 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498128756 503113018 /nfs/dbraw/zinc/11/30/18/503113018.db2.gz WHTPSLAJZYVFQB-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211018 503114248 /nfs/dbraw/zinc/11/42/48/503114248.db2.gz MMUVGUGMTVQMHX-WERVVEIQSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211018 503114252 /nfs/dbraw/zinc/11/42/52/503114252.db2.gz MMUVGUGMTVQMHX-WERVVEIQSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211018 503114257 /nfs/dbraw/zinc/11/42/57/503114257.db2.gz MMUVGUGMTVQMHX-WERVVEIQSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473324 503122472 /nfs/dbraw/zinc/12/24/72/503122472.db2.gz XZILLKZGVUCUCN-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCC[C@@H]1C ZINC000514244796 503124598 /nfs/dbraw/zinc/12/45/98/503124598.db2.gz NFSGQVGFMDEFQL-PXCRPINLSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000514244796 503124603 /nfs/dbraw/zinc/12/46/03/503124603.db2.gz NFSGQVGFMDEFQL-PXCRPINLSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCCC[C@@H]1C ZINC000514244796 503124607 /nfs/dbraw/zinc/12/46/07/503124607.db2.gz NFSGQVGFMDEFQL-PXCRPINLSA-N 2 1 372.557 3.384 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@@H]1C ZINC000498239158 503139249 /nfs/dbraw/zinc/13/92/49/503139249.db2.gz LVDHJRDIWLEEFS-GBESFXJTSA-N 2 1 372.557 3.336 20 0 FGADMP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000502085146 503141912 /nfs/dbraw/zinc/14/19/12/503141912.db2.gz MYBUUDDEXQPFPM-GOSISDBHSA-N 2 1 373.541 3.358 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596837 503152132 /nfs/dbraw/zinc/15/21/32/503152132.db2.gz DFGXCGCUAWGBCO-FCHUYYIVSA-N 2 1 371.569 3.464 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596837 503152135 /nfs/dbraw/zinc/15/21/35/503152135.db2.gz DFGXCGCUAWGBCO-FCHUYYIVSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596837 503152141 /nfs/dbraw/zinc/15/21/41/503152141.db2.gz DFGXCGCUAWGBCO-FCHUYYIVSA-N 2 1 371.569 3.464 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510596837 503152145 /nfs/dbraw/zinc/15/21/45/503152145.db2.gz DFGXCGCUAWGBCO-FCHUYYIVSA-N 2 1 371.569 3.464 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000502238422 503167579 /nfs/dbraw/zinc/16/75/79/503167579.db2.gz XKWBTSZENFVMKB-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510687725 503172883 /nfs/dbraw/zinc/17/28/83/503172883.db2.gz PJNSVQOLMWHCGJ-SJLPKXTDSA-N 2 1 367.331 3.119 20 0 FGADMP CC[C@@H](C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)[NH+](C)C ZINC000502418575 503196201 /nfs/dbraw/zinc/19/62/01/503196201.db2.gz UHOFANLHLZKULS-NRFANRHFSA-N 2 1 363.505 3.241 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000514933082 503230885 /nfs/dbraw/zinc/23/08/85/503230885.db2.gz NOBXCCPFKUGFFA-FPOVZHCZSA-N 2 1 357.498 3.016 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2nccc3sccc32)CC1 ZINC000514965372 503237770 /nfs/dbraw/zinc/23/77/70/503237770.db2.gz GLAVUUGSQMDZMN-UHFFFAOYSA-N 2 1 355.511 3.404 20 0 FGADMP CC(C)CN(C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000511057170 503243514 /nfs/dbraw/zinc/24/35/14/503243514.db2.gz SNUYSXZHJALUNS-OAQYLSRUSA-N 2 1 371.569 3.477 20 0 FGADMP c1coc([C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+]2CCCCC2)c1 ZINC000498882765 503281839 /nfs/dbraw/zinc/28/18/39/503281839.db2.gz YZNNMTWEELJIBN-QGZVFWFLSA-N 2 1 355.486 3.121 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000502841595 503286170 /nfs/dbraw/zinc/28/61/70/503286170.db2.gz IJYHRNBGWZSYLH-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000502841595 503286174 /nfs/dbraw/zinc/28/61/74/503286174.db2.gz IJYHRNBGWZSYLH-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000502841595 503286184 /nfs/dbraw/zinc/28/61/84/503286184.db2.gz IJYHRNBGWZSYLH-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000502894018 503301724 /nfs/dbraw/zinc/30/17/24/503301724.db2.gz JOPNZJAEQDGUAO-AZUAARDMSA-N 2 1 360.546 3.243 20 0 FGADMP COc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507456835 503301774 /nfs/dbraw/zinc/30/17/74/503301774.db2.gz ACZNDDMXBRJIBH-CEWLAPEOSA-N 2 1 351.494 3.133 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1cccc(F)c1 ZINC000507490101 503308370 /nfs/dbraw/zinc/30/83/70/503308370.db2.gz ZOQXHYWKPHFZII-NMIHRBCNSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cccc(F)c1 ZINC000507490101 503308375 /nfs/dbraw/zinc/30/83/75/503308375.db2.gz ZOQXHYWKPHFZII-NMIHRBCNSA-N 2 1 354.469 3.359 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000511418875 503318353 /nfs/dbraw/zinc/31/83/53/503318353.db2.gz UWSUBCJMVGQNQO-YRXWBPOGSA-N 2 1 364.578 3.202 20 0 FGADMP COCCC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000515353071 503322042 /nfs/dbraw/zinc/32/20/42/503322042.db2.gz ACWAOZIYSWXJPY-FPOVZHCZSA-N 2 1 360.542 3.320 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395536 503329999 /nfs/dbraw/zinc/32/99/99/503329999.db2.gz OGBDEFFQOWVQQU-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395536 503330003 /nfs/dbraw/zinc/33/00/03/503330003.db2.gz OGBDEFFQOWVQQU-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395536 503330011 /nfs/dbraw/zinc/33/00/11/503330011.db2.gz OGBDEFFQOWVQQU-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[N@@H+](CCc1ccccc1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511590704 503350572 /nfs/dbraw/zinc/35/05/72/503350572.db2.gz HEUYNRXRPVDGDD-UHFFFAOYSA-N 2 1 359.558 3.176 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(O)c3Cl)CC2)C[C@H](C)O1 ZINC000507833864 503376445 /nfs/dbraw/zinc/37/64/45/503376445.db2.gz PFILJPVBHZDPCA-GASCZTMLSA-N 2 1 352.906 3.367 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccc(O)c3Cl)CC2)C[C@H](C)O1 ZINC000507833864 503376442 /nfs/dbraw/zinc/37/64/42/503376442.db2.gz PFILJPVBHZDPCA-GASCZTMLSA-N 2 1 352.906 3.367 20 0 FGADMP C[N@@H+](CCCCC(F)(F)F)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000511798910 503389759 /nfs/dbraw/zinc/38/97/59/503389759.db2.gz AIDKHCOHHLLDLG-UHFFFAOYSA-N 2 1 357.464 3.469 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000511852697 503401179 /nfs/dbraw/zinc/40/11/79/503401179.db2.gz FYHUKUAACOOGFK-HXUWFJFHSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000511852697 503401183 /nfs/dbraw/zinc/40/11/83/503401183.db2.gz FYHUKUAACOOGFK-HXUWFJFHSA-N 2 1 371.529 3.037 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089924 503428210 /nfs/dbraw/zinc/42/82/10/503428210.db2.gz QMESFRUXLCPLIE-IBGZPJMESA-N 2 1 370.541 3.273 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000493824670 503448239 /nfs/dbraw/zinc/44/82/39/503448239.db2.gz TYQNOLKDQKVPHL-OALUTQOASA-N 2 1 353.510 3.131 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000512084437 503453439 /nfs/dbraw/zinc/45/34/39/503453439.db2.gz PGOZWMFLUMSOCG-UHFFFAOYSA-N 2 1 358.555 3.267 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@H](C)C1 ZINC000516209685 503471525 /nfs/dbraw/zinc/47/15/25/503471525.db2.gz IUCAFRICKMXYOP-APWZRJJASA-N 2 1 364.530 3.239 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000512318859 503519012 /nfs/dbraw/zinc/51/90/12/503519012.db2.gz TXSGKCWKRYNTPZ-LAUBAEHRSA-N 2 1 371.550 3.227 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000504177283 503534708 /nfs/dbraw/zinc/53/47/08/503534708.db2.gz PSXJUWANVXAJRJ-HSALFYBXSA-N 2 1 374.573 3.126 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704737 503547273 /nfs/dbraw/zinc/54/72/73/503547273.db2.gz WXRVSAHDBCPKIT-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704737 503547277 /nfs/dbraw/zinc/54/72/77/503547277.db2.gz WXRVSAHDBCPKIT-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508704737 503547281 /nfs/dbraw/zinc/54/72/81/503547281.db2.gz WXRVSAHDBCPKIT-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508704737 503547284 /nfs/dbraw/zinc/54/72/84/503547284.db2.gz WXRVSAHDBCPKIT-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP C[C@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCCC[C@@H]1C ZINC000500103643 503555109 /nfs/dbraw/zinc/55/51/09/503555109.db2.gz KNUBNJLGMXTZEV-RBUKOAKNSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(=O)n1C ZINC000494530772 503558551 /nfs/dbraw/zinc/55/85/51/503558551.db2.gz XYAAGJGSRIYARZ-BHIFYINESA-N 2 1 365.521 3.084 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)CC1 ZINC000516692443 503570589 /nfs/dbraw/zinc/57/05/89/503570589.db2.gz QIZAQBOILWJLQW-NQIIRXRSSA-N 2 1 361.574 3.245 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000516761983 503581572 /nfs/dbraw/zinc/58/15/72/503581572.db2.gz QMQQVRJSXKDTRI-DOMZBBRYSA-N 2 1 372.296 3.164 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672577 503589162 /nfs/dbraw/zinc/58/91/62/503589162.db2.gz ZZNXWGJCRLANFH-UAGQMJEPSA-N 2 1 371.447 3.188 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500253427 503589292 /nfs/dbraw/zinc/58/92/92/503589292.db2.gz YRYRIWOEJZFDFZ-RBUKOAKNSA-N 2 1 372.557 3.164 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000516844290 503598461 /nfs/dbraw/zinc/59/84/61/503598461.db2.gz XRDNNVDBVFUFFI-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[C@@H](C)C1 ZINC000508917600 503600001 /nfs/dbraw/zinc/60/00/01/503600001.db2.gz IBRNPKMCUWFOED-IZZBFERCSA-N 2 1 374.573 3.358 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000516971771 503634297 /nfs/dbraw/zinc/63/42/97/503634297.db2.gz JNMUHXLYSPHUBO-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000516971771 503634301 /nfs/dbraw/zinc/63/43/01/503634301.db2.gz JNMUHXLYSPHUBO-COPCDDAFSA-N 2 1 365.521 3.316 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930954 503638264 /nfs/dbraw/zinc/63/82/64/503638264.db2.gz BHIOXRLGYDECAI-FUHWJXTLSA-N 2 1 350.915 3.342 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930954 503638267 /nfs/dbraw/zinc/63/82/67/503638267.db2.gz BHIOXRLGYDECAI-FUHWJXTLSA-N 2 1 350.915 3.342 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC000536710789 503691506 /nfs/dbraw/zinc/69/15/06/503691506.db2.gz RTPITDXJUKKWAV-QHCPKHFHSA-N 2 1 364.537 3.349 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nnn1-c1ccccc1 ZINC000540169702 503695445 /nfs/dbraw/zinc/69/54/45/503695445.db2.gz HTRJRDUSHXVDFU-KSZLIROESA-N 2 1 371.529 3.116 20 0 FGADMP C[C@@H]1CCCC[C@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543245292 503696546 /nfs/dbraw/zinc/69/65/46/503696546.db2.gz BTPGQAYTADNRRC-JRGCBEDISA-N 2 1 357.542 3.300 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1)CC(C)C ZINC000540197048 503703838 /nfs/dbraw/zinc/70/38/38/503703838.db2.gz IYPDGEXNBBTNSN-HNNXBMFYSA-N 2 1 365.484 3.133 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NCC(F)(F)F)CC1)CC(C)C ZINC000540197048 503703840 /nfs/dbraw/zinc/70/38/40/503703840.db2.gz IYPDGEXNBBTNSN-HNNXBMFYSA-N 2 1 365.484 3.133 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000517365942 503726262 /nfs/dbraw/zinc/72/62/62/503726262.db2.gz OMZODWPPCDDWMM-HNAYVOBHSA-N 2 1 369.534 3.104 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000517365942 503726264 /nfs/dbraw/zinc/72/62/64/503726264.db2.gz OMZODWPPCDDWMM-HNAYVOBHSA-N 2 1 369.534 3.104 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000533181661 503753272 /nfs/dbraw/zinc/75/32/72/503753272.db2.gz NYCTUJOCKVUJCC-IEBWSBKVSA-N 2 1 374.529 3.156 20 0 FGADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000540388950 503756460 /nfs/dbraw/zinc/75/64/60/503756460.db2.gz XQBADYLEJQQQKY-UZLBHIALSA-N 2 1 352.482 3.469 20 0 FGADMP C[C@H](CC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478264 503788043 /nfs/dbraw/zinc/78/80/43/503788043.db2.gz OMIJRRHNRVCPSG-CXQPBAHBSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478264 503788046 /nfs/dbraw/zinc/78/80/46/503788046.db2.gz OMIJRRHNRVCPSG-CXQPBAHBSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1 ZINC000543478264 503788048 /nfs/dbraw/zinc/78/80/48/503788048.db2.gz OMIJRRHNRVCPSG-CXQPBAHBSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572603 503793090 /nfs/dbraw/zinc/79/30/90/503793090.db2.gz KPKUKXKKVOJVGR-IIBYNOLFSA-N 2 1 358.457 3.122 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572603 503793094 /nfs/dbraw/zinc/79/30/94/503793094.db2.gz KPKUKXKKVOJVGR-IIBYNOLFSA-N 2 1 358.457 3.122 20 0 FGADMP Cc1ccc(S[C@@H](C)C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000517653909 503798825 /nfs/dbraw/zinc/79/88/25/503798825.db2.gz ZKFMQFQUODTJFR-INIZCTEOSA-N 2 1 370.522 3.261 20 0 FGADMP C[C@@H](C[NH+]1CCC2(CCOCC2)[C@@H]1C)C[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000543573909 503816649 /nfs/dbraw/zinc/81/66/49/503816649.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC2(CCOCC2)[C@H]1C)C[N@@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573909 503816654 /nfs/dbraw/zinc/81/66/54/503816654.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC2(CCOCC2)[C@H]1C)C[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000543573909 503816657 /nfs/dbraw/zinc/81/66/57/503816657.db2.gz JQTROSQVHQKOTL-OWZKRDHZSA-N 2 1 364.574 3.405 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000540573282 503821068 /nfs/dbraw/zinc/82/10/68/503821068.db2.gz VUSULWKASODIKQ-SESVDKBCSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573282 503821076 /nfs/dbraw/zinc/82/10/76/503821076.db2.gz VUSULWKASODIKQ-SESVDKBCSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000540573282 503821084 /nfs/dbraw/zinc/82/10/84/503821084.db2.gz VUSULWKASODIKQ-SESVDKBCSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173998 503827178 /nfs/dbraw/zinc/82/71/78/503827178.db2.gz SGRTZWWXKDMPRG-QUCCMNQESA-N 2 1 357.542 3.439 20 0 FGADMP C[C@@H]1CCCCN1CC[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173998 503827182 /nfs/dbraw/zinc/82/71/82/503827182.db2.gz SGRTZWWXKDMPRG-QUCCMNQESA-N 2 1 357.542 3.439 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCC4)c2)C1 ZINC000517850621 503850221 /nfs/dbraw/zinc/85/02/21/503850221.db2.gz XEABBQHVNCGREF-WOJBJXKFSA-N 2 1 355.526 3.196 20 0 FGADMP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[C@H](C)[C@@H]1OC ZINC000537294832 503871008 /nfs/dbraw/zinc/87/10/08/503871008.db2.gz GXTBCMNEMQKJEU-BEVDRBHNSA-N 2 1 360.546 3.492 20 0 FGADMP C[C@H](CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000533526613 503876034 /nfs/dbraw/zinc/87/60/34/503876034.db2.gz YRNBTXZIEZWAQK-QGZVFWFLSA-N 2 1 352.482 3.356 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011102 503887850 /nfs/dbraw/zinc/88/78/50/503887850.db2.gz DOOCZCUSAHKDQU-CTNGQTDRSA-N 2 1 372.557 3.386 20 0 FGADMP Fc1ccc(Br)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242521 503890672 /nfs/dbraw/zinc/89/06/72/503890672.db2.gz ULCMWPKPBOVDED-INIZCTEOSA-N 2 1 371.294 3.179 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527698772 503900966 /nfs/dbraw/zinc/90/09/66/503900966.db2.gz DGNRKCLKMOWIAY-CQSZACIVSA-N 2 1 360.420 3.305 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(C(F)(F)F)c1 ZINC000527698772 503900969 /nfs/dbraw/zinc/90/09/69/503900969.db2.gz DGNRKCLKMOWIAY-CQSZACIVSA-N 2 1 360.420 3.305 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)Cn1c[nH+]c2c1CCCC2)c1ccccc1 ZINC000540883067 503923959 /nfs/dbraw/zinc/92/39/59/503923959.db2.gz DMONGRPEBFWKHA-INIZCTEOSA-N 2 1 354.498 3.008 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@H]1CC12CC2 ZINC000527859858 503975641 /nfs/dbraw/zinc/97/56/41/503975641.db2.gz RMOXCCYWRYQMQR-DYESRHJHSA-N 2 1 358.526 3.454 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1 ZINC000518461398 503991787 /nfs/dbraw/zinc/99/17/87/503991787.db2.gz RORXIGHIKIOVSB-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000518461398 503991789 /nfs/dbraw/zinc/99/17/89/503991789.db2.gz RORXIGHIKIOVSB-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000518461398 503991790 /nfs/dbraw/zinc/99/17/90/503991790.db2.gz RORXIGHIKIOVSB-SFHVURJKSA-N 2 1 366.594 3.259 20 0 FGADMP CC[N@H+](Cc1ccc2c(c1)nnn2C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000537661286 503996101 /nfs/dbraw/zinc/99/61/01/503996101.db2.gz NRDMHQYLMWIMHJ-FQEVSTJZSA-N 2 1 363.509 3.312 20 0 FGADMP CC[NH+](Cc1ccc2c(c1)nnn2C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000537661286 503996103 /nfs/dbraw/zinc/99/61/03/503996103.db2.gz NRDMHQYLMWIMHJ-FQEVSTJZSA-N 2 1 363.509 3.312 20 0 FGADMP CC[NH+](Cc1ccc2c(c1)nnn2C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000537661286 503996105 /nfs/dbraw/zinc/99/61/05/503996105.db2.gz NRDMHQYLMWIMHJ-FQEVSTJZSA-N 2 1 363.509 3.312 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000541097382 504006359 /nfs/dbraw/zinc/00/63/59/504006359.db2.gz UVXCELBXBMWTOH-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527941168 504008419 /nfs/dbraw/zinc/00/84/19/504008419.db2.gz XVZTULJCXCXLRG-BPQIPLTHSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000527941168 504008421 /nfs/dbraw/zinc/00/84/21/504008421.db2.gz XVZTULJCXCXLRG-BPQIPLTHSA-N 2 1 366.431 3.487 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000527950017 504013000 /nfs/dbraw/zinc/01/30/00/504013000.db2.gz OUOMJJSSXBQEJY-GIVPXCGWSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000527950017 504013007 /nfs/dbraw/zinc/01/30/07/504013007.db2.gz OUOMJJSSXBQEJY-GIVPXCGWSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000527950017 504013012 /nfs/dbraw/zinc/01/30/12/504013012.db2.gz OUOMJJSSXBQEJY-GIVPXCGWSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000518633490 504032769 /nfs/dbraw/zinc/03/27/69/504032769.db2.gz ZLTKERLHUVEGIG-GOSISDBHSA-N 2 1 355.526 3.299 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000518633490 504032776 /nfs/dbraw/zinc/03/27/76/504032776.db2.gz ZLTKERLHUVEGIG-GOSISDBHSA-N 2 1 355.526 3.299 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1C ZINC000528008712 504037656 /nfs/dbraw/zinc/03/76/56/504037656.db2.gz XAKAXRMFHXAZAM-ZPMCFJSWSA-N 2 1 363.505 3.314 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662876 504043143 /nfs/dbraw/zinc/04/31/43/504043143.db2.gz WUMHYTRMRDSVQQ-GXTWGEPZSA-N 2 1 369.303 3.482 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662876 504043149 /nfs/dbraw/zinc/04/31/49/504043149.db2.gz WUMHYTRMRDSVQQ-GXTWGEPZSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662876 504043151 /nfs/dbraw/zinc/04/31/51/504043151.db2.gz WUMHYTRMRDSVQQ-GXTWGEPZSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@@H]1C ZINC000530662876 504043155 /nfs/dbraw/zinc/04/31/55/504043155.db2.gz WUMHYTRMRDSVQQ-GXTWGEPZSA-N 2 1 369.303 3.482 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000518746025 504053069 /nfs/dbraw/zinc/05/30/69/504053069.db2.gz FIXKXEMBLYDNON-LJQANCHMSA-N 2 1 374.573 3.446 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc(Cn2c[nH+]cc2C)n1 ZINC000528083119 504064468 /nfs/dbraw/zinc/06/44/68/504064468.db2.gz AHTNOWQAXIAXHD-UHFFFAOYSA-N 2 1 355.442 3.010 20 0 FGADMP CCC[N@H+](Cc1ccnc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000534221161 504076016 /nfs/dbraw/zinc/07/60/16/504076016.db2.gz RCZBCTNOGNRVQM-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1ccnc(OC)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000534221161 504076018 /nfs/dbraw/zinc/07/60/18/504076018.db2.gz RCZBCTNOGNRVQM-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000547387772 504087377 /nfs/dbraw/zinc/08/73/77/504087377.db2.gz ZBYXPXDAJPVTEA-NHCUHLMSSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000547387772 504087379 /nfs/dbraw/zinc/08/73/79/504087379.db2.gz ZBYXPXDAJPVTEA-NHCUHLMSSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000547387772 504087382 /nfs/dbraw/zinc/08/73/82/504087382.db2.gz ZBYXPXDAJPVTEA-NHCUHLMSSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000530805282 504091287 /nfs/dbraw/zinc/09/12/87/504091287.db2.gz XQYNMCKUHWEXKY-GPMSIDNRSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000538007021 504111802 /nfs/dbraw/zinc/11/18/02/504111802.db2.gz PHTBJYYKMGCBIZ-HDICACEKSA-N 2 1 369.509 3.329 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CCN(c3cc[nH+]c4ccccc43)CC2)C[C@H](C)O1 ZINC000538007021 504111808 /nfs/dbraw/zinc/11/18/08/504111808.db2.gz PHTBJYYKMGCBIZ-HDICACEKSA-N 2 1 369.509 3.329 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098192 504132748 /nfs/dbraw/zinc/13/27/48/504132748.db2.gz CODQWDGUCRWJJF-SJLPKXTDSA-N 2 1 351.922 3.214 20 0 FGADMP CC(C)[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000538098441 504133148 /nfs/dbraw/zinc/13/31/48/504133148.db2.gz IXDXHHUNAFZZGH-SFHVURJKSA-N 2 1 372.340 3.444 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000528268353 504138166 /nfs/dbraw/zinc/13/81/66/504138166.db2.gz SKTBRRKSYLXSRT-BHDDXSALSA-N 2 1 371.569 3.381 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000528268353 504138170 /nfs/dbraw/zinc/13/81/70/504138170.db2.gz SKTBRRKSYLXSRT-BHDDXSALSA-N 2 1 371.569 3.381 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000528268353 504138174 /nfs/dbraw/zinc/13/81/74/504138174.db2.gz SKTBRRKSYLXSRT-BHDDXSALSA-N 2 1 371.569 3.381 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(C(F)F)c1 ZINC000519099439 504140004 /nfs/dbraw/zinc/14/00/04/504140004.db2.gz SVXNHBRCZLQDIZ-QGZVFWFLSA-N 2 1 353.457 3.112 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC1CC[NH+](C)CC1 ZINC000528330862 504173339 /nfs/dbraw/zinc/17/33/39/504173339.db2.gz ZQAQYPYPVKVWAJ-FGZHOGPDSA-N 2 1 371.569 3.383 20 0 FGADMP CO[C@@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000528368061 504189772 /nfs/dbraw/zinc/18/97/72/504189772.db2.gz KNPXYJUPYXFDKY-FVJLSDCUSA-N 2 1 364.505 3.334 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000531104717 504191242 /nfs/dbraw/zinc/19/12/42/504191242.db2.gz XDAMZCNKWKHYHW-QGZVFWFLSA-N 2 1 360.527 3.138 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000531104717 504191245 /nfs/dbraw/zinc/19/12/45/504191245.db2.gz XDAMZCNKWKHYHW-QGZVFWFLSA-N 2 1 360.527 3.138 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000528375637 504195112 /nfs/dbraw/zinc/19/51/12/504195112.db2.gz ZOEVFRRCAQUXFG-BHIFYINESA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603695 504195191 /nfs/dbraw/zinc/19/51/91/504195191.db2.gz ULKQNGGKUFKFJP-HVFMOZPHSA-N 2 1 373.585 3.170 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603695 504195196 /nfs/dbraw/zinc/19/51/96/504195196.db2.gz ULKQNGGKUFKFJP-HVFMOZPHSA-N 2 1 373.585 3.170 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000544622277 504195476 /nfs/dbraw/zinc/19/54/76/504195476.db2.gz WJUPOWAGKKIZRM-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000519363571 504203619 /nfs/dbraw/zinc/20/36/19/504203619.db2.gz DPOFQYFIMCXNRY-RTBURBONSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000519382362 504208205 /nfs/dbraw/zinc/20/82/05/504208205.db2.gz XUCHZYVWWFQULJ-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2cccs2)CC1 ZINC000544690149 504220185 /nfs/dbraw/zinc/22/01/85/504220185.db2.gz KIJWOJCFAGJGEI-GOSISDBHSA-N 2 1 372.538 3.412 20 0 FGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)oc21 ZINC000538393627 504232749 /nfs/dbraw/zinc/23/27/49/504232749.db2.gz BVIQUDCXXNGEHL-WBVHZDCISA-N 2 1 373.497 3.070 20 0 FGADMP CCOc1cccc2cc([C@@H](C)[NH2+]CCC[N@H+]3CCC[C@H](C(N)=O)C3)oc21 ZINC000538393627 504232757 /nfs/dbraw/zinc/23/27/57/504232757.db2.gz BVIQUDCXXNGEHL-WBVHZDCISA-N 2 1 373.497 3.070 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000544734857 504239065 /nfs/dbraw/zinc/23/90/65/504239065.db2.gz HNBUXDPWYLZZND-KRWDZBQOSA-N 2 1 366.509 3.310 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000538445817 504248078 /nfs/dbraw/zinc/24/80/78/504248078.db2.gz MNAWNVDHYODOLQ-GOSISDBHSA-N 2 1 350.890 3.249 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1(C)C ZINC000544783936 504257687 /nfs/dbraw/zinc/25/76/87/504257687.db2.gz XKGMHEISVUTRJV-GOSISDBHSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800316 504258007 /nfs/dbraw/zinc/25/80/07/504258007.db2.gz WUPGOEHIUKIQBD-PGRDOPGGSA-N 2 1 365.521 3.105 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000534983026 504302527 /nfs/dbraw/zinc/30/25/27/504302527.db2.gz JHRFLENGWYYLMF-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000534983026 504302533 /nfs/dbraw/zinc/30/25/33/504302533.db2.gz JHRFLENGWYYLMF-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534983026 504302538 /nfs/dbraw/zinc/30/25/38/504302538.db2.gz JHRFLENGWYYLMF-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000531552387 504343850 /nfs/dbraw/zinc/34/38/50/504343850.db2.gz NSPWYEPWCFOAFX-SIFCLUCFSA-N 2 1 367.497 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000531552387 504343855 /nfs/dbraw/zinc/34/38/55/504343855.db2.gz NSPWYEPWCFOAFX-SIFCLUCFSA-N 2 1 367.497 3.024 20 0 FGADMP C[C@@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156427 504350406 /nfs/dbraw/zinc/35/04/06/504350406.db2.gz ILUGMSKRNYBQJD-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H](O)C5(CC5)C4)cc3)nc12 ZINC000548317265 504396758 /nfs/dbraw/zinc/39/67/58/504396758.db2.gz LIEDMDGSLGDWMY-FQEVSTJZSA-N 2 1 363.461 3.178 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000538866733 504398143 /nfs/dbraw/zinc/39/81/43/504398143.db2.gz BOYNYDQMCSYLPL-QGZVFWFLSA-N 2 1 355.320 3.384 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000520200336 504433427 /nfs/dbraw/zinc/43/34/27/504433427.db2.gz MKIHXSCRQHZAIJ-RTBURBONSA-N 2 1 366.594 3.260 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ncc(Cl)s3)CC2)oc1C ZINC000545315199 504441495 /nfs/dbraw/zinc/44/14/95/504441495.db2.gz JUUZXPFVPPTDAV-UHFFFAOYSA-N 2 1 354.907 3.403 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccccc1 ZINC000535469429 504443844 /nfs/dbraw/zinc/44/38/44/504443844.db2.gz ONCBNIXGXAZGDX-FCHUYYIVSA-N 2 1 372.472 3.422 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482836 504461036 /nfs/dbraw/zinc/46/10/36/504461036.db2.gz GSTJVHNZHAEWDF-UGKGYDQZSA-N 2 1 365.521 3.225 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980119 504493219 /nfs/dbraw/zinc/49/32/19/504493219.db2.gz QBXCHHFJUAFAPR-HLLBOEOZSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980119 504493225 /nfs/dbraw/zinc/49/32/25/504493225.db2.gz QBXCHHFJUAFAPR-HLLBOEOZSA-N 2 1 351.922 3.149 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000539320797 504529392 /nfs/dbraw/zinc/52/93/92/504529392.db2.gz YSUJJGLMWTWNIB-AEFFLSMTSA-N 2 1 352.906 3.380 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000548714976 504537795 /nfs/dbraw/zinc/53/77/95/504537795.db2.gz BLQVELDAMFFXQT-QUCCMNQESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714976 504537799 /nfs/dbraw/zinc/53/77/99/504537799.db2.gz BLQVELDAMFFXQT-QUCCMNQESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714976 504537804 /nfs/dbraw/zinc/53/78/04/504537804.db2.gz BLQVELDAMFFXQT-QUCCMNQESA-N 2 1 357.542 3.420 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639560 504546706 /nfs/dbraw/zinc/54/67/06/504546706.db2.gz FTRFCJOCIZHNFB-QUCCMNQESA-N 2 1 366.509 3.361 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000520639560 504546711 /nfs/dbraw/zinc/54/67/11/504546711.db2.gz FTRFCJOCIZHNFB-QUCCMNQESA-N 2 1 366.509 3.361 20 0 FGADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000539494194 504588860 /nfs/dbraw/zinc/58/88/60/504588860.db2.gz AYMSHSSZQZRQER-INIZCTEOSA-N 2 1 357.498 3.118 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)C12CCC2 ZINC000539500230 504591530 /nfs/dbraw/zinc/59/15/30/504591530.db2.gz VIRXHMHIQJEIFW-FCHUYYIVSA-N 2 1 371.569 3.261 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000548980000 504643707 /nfs/dbraw/zinc/64/37/07/504643707.db2.gz AMXATXOGCZUMJC-IAGOWNOFSA-N 2 1 355.530 3.342 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532446881 504654903 /nfs/dbraw/zinc/65/49/03/504654903.db2.gz MTLTYWXETAGPGI-LZQZEXGQSA-N 2 1 363.933 3.293 20 0 FGADMP CCc1sc(-c2nnc(C[N@H+]3CC[C@H](c4nccn4C)C3)o2)cc1C ZINC000521266493 504697003 /nfs/dbraw/zinc/69/70/03/504697003.db2.gz CIXXWCLRWMGSOV-ZDUSSCGKSA-N 2 1 357.483 3.392 20 0 FGADMP CCc1sc(-c2nnc(CN3CC[C@H](c4nccn4C)C3)o2)cc1C ZINC000521266493 504697007 /nfs/dbraw/zinc/69/70/07/504697007.db2.gz CIXXWCLRWMGSOV-ZDUSSCGKSA-N 2 1 357.483 3.392 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000521292973 504703866 /nfs/dbraw/zinc/70/38/66/504703866.db2.gz GKHFJIFCXZXCOU-UHFFFAOYSA-N 2 1 373.545 3.207 20 0 FGADMP CC[C@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426925 504731774 /nfs/dbraw/zinc/73/17/74/504731774.db2.gz DATJKOFBLQTJNU-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426925 504731780 /nfs/dbraw/zinc/73/17/80/504731780.db2.gz DATJKOFBLQTJNU-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCc3ccccc32)CC1 ZINC000521431698 504735633 /nfs/dbraw/zinc/73/56/33/504735633.db2.gz LFDIWNVCZYSODA-GOSISDBHSA-N 2 1 357.542 3.408 20 0 FGADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000532838158 504765432 /nfs/dbraw/zinc/76/54/32/504765432.db2.gz DCPYAQFBAGCDLW-OALUTQOASA-N 2 1 360.546 3.069 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O ZINC000549261195 504776258 /nfs/dbraw/zinc/77/62/58/504776258.db2.gz JTEOQUNDJLJHJD-LEWJYISDSA-N 2 1 374.569 3.302 20 0 FGADMP Cn1nnc2cc(C[NH2+]C[C@H]3CCCC[N@@H+](Cc4ccccc4)C3)ccc21 ZINC000565111116 504797296 /nfs/dbraw/zinc/79/72/96/504797296.db2.gz VAGYDDYNIYIZIZ-HXUWFJFHSA-N 2 1 363.509 3.360 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1 ZINC000552981212 504797524 /nfs/dbraw/zinc/79/75/24/504797524.db2.gz HCLJUJCXLHBDHW-PXNSSMCTSA-N 2 1 366.509 3.136 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000556120673 504801113 /nfs/dbraw/zinc/80/11/13/504801113.db2.gz WNNAWYQGHCDKBA-AZUAARDMSA-N 2 1 368.477 3.407 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000556120673 504801119 /nfs/dbraw/zinc/80/11/19/504801119.db2.gz WNNAWYQGHCDKBA-AZUAARDMSA-N 2 1 368.477 3.407 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000565154557 504809527 /nfs/dbraw/zinc/80/95/27/504809527.db2.gz BHTMIKMSRQLCAQ-HKUYNNGSSA-N 2 1 354.498 3.035 20 0 FGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(-c2cnn(C)c2)c1 ZINC000549404610 504811976 /nfs/dbraw/zinc/81/19/76/504811976.db2.gz SHYLCWUJSWEVTE-KSEOMHKRSA-N 2 1 368.525 3.079 20 0 FGADMP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000559270013 504815171 /nfs/dbraw/zinc/81/51/71/504815171.db2.gz FFUVLEDWMHMJBQ-OAHLLOKOSA-N 2 1 367.331 3.007 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@H]1CCC[NH2+]C1 ZINC000565475013 504897833 /nfs/dbraw/zinc/89/78/33/504897833.db2.gz HYJQEFIXXORBJB-SLEUVZQESA-N 2 1 356.297 3.076 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000549801131 504901511 /nfs/dbraw/zinc/90/15/11/504901511.db2.gz OZEHDUVXRXIRLA-IBGZPJMESA-N 2 1 353.514 3.048 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000549801131 504901515 /nfs/dbraw/zinc/90/15/15/504901515.db2.gz OZEHDUVXRXIRLA-IBGZPJMESA-N 2 1 353.514 3.048 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000549801131 504901519 /nfs/dbraw/zinc/90/15/19/504901519.db2.gz OZEHDUVXRXIRLA-IBGZPJMESA-N 2 1 353.514 3.048 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000549801131 504901520 /nfs/dbraw/zinc/90/15/20/504901520.db2.gz OZEHDUVXRXIRLA-IBGZPJMESA-N 2 1 353.514 3.048 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000559754009 504923017 /nfs/dbraw/zinc/92/30/17/504923017.db2.gz SRFVCNXDBALDCF-MSOLQXFVSA-N 2 1 355.448 3.438 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@H]1c1ccccc1 ZINC000559754009 504923020 /nfs/dbraw/zinc/92/30/20/504923020.db2.gz SRFVCNXDBALDCF-MSOLQXFVSA-N 2 1 355.448 3.438 20 0 FGADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000562919043 504987488 /nfs/dbraw/zinc/98/74/88/504987488.db2.gz FCZFHYKPBZMCGS-SFHVURJKSA-N 2 1 363.465 3.286 20 0 FGADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000562919043 504987494 /nfs/dbraw/zinc/98/74/94/504987494.db2.gz FCZFHYKPBZMCGS-SFHVURJKSA-N 2 1 363.465 3.286 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[NH+](CC2CCC2)CC1 ZINC000550244592 505001234 /nfs/dbraw/zinc/00/12/34/505001234.db2.gz KQYHAACJDSKOSK-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@H+](CC2CCC2)CC1 ZINC000550244592 505001235 /nfs/dbraw/zinc/00/12/35/505001235.db2.gz KQYHAACJDSKOSK-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000550244592 505001239 /nfs/dbraw/zinc/00/12/39/505001239.db2.gz KQYHAACJDSKOSK-QFIPXVFZSA-N 2 1 369.553 3.376 20 0 FGADMP COCC[N@@H+](C)CCCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002142 /nfs/dbraw/zinc/00/21/42/505002142.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002143 /nfs/dbraw/zinc/00/21/43/505002143.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002146 /nfs/dbraw/zinc/00/21/46/505002146.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002149 /nfs/dbraw/zinc/00/21/49/505002149.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002151 /nfs/dbraw/zinc/00/21/51/505002151.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002154 /nfs/dbraw/zinc/00/21/54/505002154.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556874132 505002156 /nfs/dbraw/zinc/00/21/56/505002156.db2.gz WMRFDQJEDAQCHY-YTFSRNRJSA-N 3 1 373.585 3.235 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)cc1)C1CC1 ZINC000553781839 505008051 /nfs/dbraw/zinc/00/80/51/505008051.db2.gz GLRUXNINTZMFDW-NPPFBWRTSA-N 2 1 369.553 3.473 20 0 FGADMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2cccc(Br)c2)CC1 ZINC000560170098 505010502 /nfs/dbraw/zinc/01/05/02/505010502.db2.gz GFOIFGXTFGDOIO-MRXNPFEDSA-N 2 1 352.320 3.055 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(=O)[nH]1 ZINC000560355833 505057417 /nfs/dbraw/zinc/05/74/17/505057417.db2.gz YGHWLQSWKRAXCI-AQNXPRMDSA-N 2 1 352.482 3.023 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(=O)[nH]1 ZINC000560355833 505057421 /nfs/dbraw/zinc/05/74/21/505057421.db2.gz YGHWLQSWKRAXCI-AQNXPRMDSA-N 2 1 352.482 3.023 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000566058886 505068574 /nfs/dbraw/zinc/06/85/74/505068574.db2.gz GHHUGSPBLZSFRU-RTWAWAEBSA-N 2 1 351.494 3.014 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000566058886 505068580 /nfs/dbraw/zinc/06/85/80/505068580.db2.gz GHHUGSPBLZSFRU-RTWAWAEBSA-N 2 1 351.494 3.014 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063608 505069786 /nfs/dbraw/zinc/06/97/86/505069786.db2.gz DUPKJRPKNOKMBW-CEXWTWQISA-N 2 1 370.493 3.291 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cc1 ZINC000563211203 505077571 /nfs/dbraw/zinc/07/75/71/505077571.db2.gz QCUGLFOCOSNWHZ-LJQANCHMSA-N 2 1 366.509 3.382 20 0 FGADMP Cn1cncc1CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000563350929 505117049 /nfs/dbraw/zinc/11/70/49/505117049.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 2 1 352.526 3.341 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000563350929 505117053 /nfs/dbraw/zinc/11/70/53/505117053.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 3 1 352.526 3.341 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000563350929 505117058 /nfs/dbraw/zinc/11/70/58/505117058.db2.gz UQDXCUYFMJTIBZ-JOCHJYFZSA-N 3 1 352.526 3.341 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000560576133 505131087 /nfs/dbraw/zinc/13/10/87/505131087.db2.gz UAKGMNAEUOYOLS-CDVBAKLBSA-N 2 1 369.553 3.180 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000551007379 505141096 /nfs/dbraw/zinc/14/10/96/505141096.db2.gz DGFCUPQZQFTVIU-SFTDATJTSA-N 2 1 350.510 3.476 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000551007379 505141097 /nfs/dbraw/zinc/14/10/97/505141097.db2.gz DGFCUPQZQFTVIU-SFTDATJTSA-N 2 1 350.510 3.476 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465840 505142156 /nfs/dbraw/zinc/14/21/56/505142156.db2.gz SFULQYJXVMCYHY-FGZHOGPDSA-N 2 1 363.505 3.024 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465840 505142161 /nfs/dbraw/zinc/14/21/61/505142161.db2.gz SFULQYJXVMCYHY-FGZHOGPDSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465840 505142167 /nfs/dbraw/zinc/14/21/67/505142167.db2.gz SFULQYJXVMCYHY-FGZHOGPDSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465840 505142171 /nfs/dbraw/zinc/14/21/71/505142171.db2.gz SFULQYJXVMCYHY-FGZHOGPDSA-N 2 1 363.505 3.024 20 0 FGADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Cl)cc(Cl)c2)CC1 ZINC000560612099 505143274 /nfs/dbraw/zinc/14/32/74/505143274.db2.gz YDDQJXHWSLWQSK-UHFFFAOYSA-N 2 1 374.312 3.022 20 0 FGADMP CCOc1cc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2cc1OCC ZINC000554523101 505195842 /nfs/dbraw/zinc/19/58/42/505195842.db2.gz IHUZCNFPGXLTLC-OAHLLOKOSA-N 2 1 355.482 3.350 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cc(C)ccc3C)CC2)CC1 ZINC000563638502 505198996 /nfs/dbraw/zinc/19/89/96/505198996.db2.gz UZXRTHCEDWUNJQ-UHFFFAOYSA-N 2 1 371.569 3.458 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899036 505209512 /nfs/dbraw/zinc/20/95/12/505209512.db2.gz DGWWHAAFGJRXGP-SJLPKXTDSA-N 2 1 357.523 3.121 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899036 505209516 /nfs/dbraw/zinc/20/95/16/505209516.db2.gz DGWWHAAFGJRXGP-SJLPKXTDSA-N 2 1 357.523 3.121 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000561057983 505240141 /nfs/dbraw/zinc/24/01/41/505240141.db2.gz ZMURNACUYJEWOL-FQEVSTJZSA-N 2 1 373.928 3.477 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727238 505256647 /nfs/dbraw/zinc/25/66/47/505256647.db2.gz DCSWLSWQYNSEKT-RMJJICAUSA-N 2 1 372.557 3.043 20 0 FGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cc1 ZINC000563936791 505281378 /nfs/dbraw/zinc/28/13/78/505281378.db2.gz LHJCRDSUQARYOA-BHDDXSALSA-N 2 1 363.505 3.318 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022180 505288327 /nfs/dbraw/zinc/28/83/27/505288327.db2.gz HWVJMFVFITYAQO-JQVVWYNYSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043336 505294648 /nfs/dbraw/zinc/29/46/48/505294648.db2.gz XHIFKUORDGCKBS-YLJYHZDGSA-N 2 1 358.530 3.253 20 0 FGADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@H]2CCCCO2)c1)C[C@@H]1CCCCO1 ZINC000566896149 505304458 /nfs/dbraw/zinc/30/44/58/505304458.db2.gz ZTYJYGRLXULPGA-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[NH+](Cc1cncc(C[N@H+](C)C[C@@H]2CCCCO2)c1)C[C@H]1CCCCO1 ZINC000566896149 505304462 /nfs/dbraw/zinc/30/44/62/505304462.db2.gz ZTYJYGRLXULPGA-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@@H]2CCCCO2)c1)C[C@H]1CCCCO1 ZINC000566896149 505304466 /nfs/dbraw/zinc/30/44/66/505304466.db2.gz ZTYJYGRLXULPGA-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000566913861 505310204 /nfs/dbraw/zinc/31/02/04/505310204.db2.gz NFCOTCGUVLJOFQ-ZWOKBUDYSA-N 2 1 361.505 3.062 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000566913861 505310208 /nfs/dbraw/zinc/31/02/08/505310208.db2.gz NFCOTCGUVLJOFQ-ZWOKBUDYSA-N 2 1 361.505 3.062 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000558128643 505315160 /nfs/dbraw/zinc/31/51/60/505315160.db2.gz ITBGMOVBPGZSHT-UHFFFAOYSA-N 2 1 371.378 3.470 20 0 FGADMP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000551842531 505323991 /nfs/dbraw/zinc/32/39/91/505323991.db2.gz JSHBCMFGHIWCTL-AWEZNQCLSA-N 2 1 370.324 3.026 20 0 FGADMP C[N@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000551842531 505323995 /nfs/dbraw/zinc/32/39/95/505323995.db2.gz JSHBCMFGHIWCTL-AWEZNQCLSA-N 2 1 370.324 3.026 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000561369997 505327796 /nfs/dbraw/zinc/32/77/96/505327796.db2.gz MSSQXVVIMWNLFY-OAHLLOKOSA-N 2 1 361.511 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506527 505363390 /nfs/dbraw/zinc/36/33/90/505363390.db2.gz ZMDNCHZRCRSAHD-FCGDIQPGSA-N 2 1 364.578 3.011 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162633 505367541 /nfs/dbraw/zinc/36/75/41/505367541.db2.gz RJGHQIOATYVVMK-DYXWJJEUSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162633 505367543 /nfs/dbraw/zinc/36/75/43/505367543.db2.gz RJGHQIOATYVVMK-DYXWJJEUSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000555162633 505367548 /nfs/dbraw/zinc/36/75/48/505367548.db2.gz RJGHQIOATYVVMK-DYXWJJEUSA-N 2 1 374.573 3.459 20 0 FGADMP C[C@@H]([NH2+]Cc1ccnc(-n2cccn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000558403970 505378593 /nfs/dbraw/zinc/37/85/93/505378593.db2.gz UNUWUNFTHDOATE-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP CC[C@@H]1C[N@H+](C)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000555237756 505387683 /nfs/dbraw/zinc/38/76/83/505387683.db2.gz MWQPYHIKWDZVNZ-MRXNPFEDSA-N 2 1 373.570 3.434 20 0 FGADMP CC[C@@H]1C[N@@H+](C)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000555237756 505387686 /nfs/dbraw/zinc/38/76/86/505387686.db2.gz MWQPYHIKWDZVNZ-MRXNPFEDSA-N 2 1 373.570 3.434 20 0 FGADMP CC[C@H]1C[N@H+](C)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000555237755 505387810 /nfs/dbraw/zinc/38/78/10/505387810.db2.gz MWQPYHIKWDZVNZ-INIZCTEOSA-N 2 1 373.570 3.434 20 0 FGADMP CC[C@H]1C[N@@H+](C)CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000555237755 505387812 /nfs/dbraw/zinc/38/78/12/505387812.db2.gz MWQPYHIKWDZVNZ-INIZCTEOSA-N 2 1 373.570 3.434 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000558457073 505394786 /nfs/dbraw/zinc/39/47/86/505394786.db2.gz DZXGQBGRNXJLQR-MRXNPFEDSA-N 2 1 363.933 3.319 20 0 FGADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000552086378 505395459 /nfs/dbraw/zinc/39/54/59/505395459.db2.gz FNOQTAMEDYCGPR-SANMLTNESA-N 2 1 370.562 3.362 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000561638908 505397491 /nfs/dbraw/zinc/39/74/91/505397491.db2.gz CGUOHJNHVYYAHP-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000561638908 505397495 /nfs/dbraw/zinc/39/74/95/505397495.db2.gz CGUOHJNHVYYAHP-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561638908 505397498 /nfs/dbraw/zinc/39/74/98/505397498.db2.gz CGUOHJNHVYYAHP-JOCHJYFZSA-N 2 1 372.557 3.026 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(Cl)c1OC ZINC000567223693 505400191 /nfs/dbraw/zinc/40/01/91/505400191.db2.gz UVBSTLFQXXJXTB-BZUAXINKSA-N 2 1 352.906 3.362 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCC(C(F)(F)F)CC2)CC1 ZINC000555309119 505403910 /nfs/dbraw/zinc/40/39/10/505403910.db2.gz ISPKNVOKRFPDOF-UHFFFAOYSA-N 2 1 370.419 3.141 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCc2ccccc2Cl)CC1 ZINC000558606200 505437359 /nfs/dbraw/zinc/43/73/59/505437359.db2.gz ACTFSSSGORKAFR-UHFFFAOYSA-N 2 1 372.900 3.448 20 0 FGADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583343 505461000 /nfs/dbraw/zinc/46/10/00/505461000.db2.gz NFQSCJVLLWWDBM-QZTJIDSGSA-N 2 1 373.545 3.052 20 0 FGADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583343 505461005 /nfs/dbraw/zinc/46/10/05/505461005.db2.gz NFQSCJVLLWWDBM-QZTJIDSGSA-N 2 1 373.545 3.052 20 0 FGADMP CC(C)[C@@H](NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000555598295 505469176 /nfs/dbraw/zinc/46/91/76/505469176.db2.gz QAUVZTDTZYYSIS-NHCUHLMSSA-N 2 1 361.505 3.057 20 0 FGADMP CC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000562034199 505497330 /nfs/dbraw/zinc/49/73/30/505497330.db2.gz RIOFWWMDFKFYGF-PMACEKPBSA-N 2 1 369.509 3.443 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093060 505516386 /nfs/dbraw/zinc/51/63/86/505516386.db2.gz UWRVKSCZDULSAH-DOMZBBRYSA-N 2 1 368.403 3.271 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093065 505516684 /nfs/dbraw/zinc/51/66/84/505516684.db2.gz UWRVKSCZDULSAH-SWLSCSKDSA-N 2 1 368.403 3.271 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000564822923 505529872 /nfs/dbraw/zinc/52/98/72/505529872.db2.gz QBYCJWRXBCOUGN-HZPDHXFCSA-N 2 1 350.528 3.053 20 0 FGADMP Clc1ccc2nc(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cn2c1 ZINC000564823953 505530798 /nfs/dbraw/zinc/53/07/98/505530798.db2.gz UPNRGDUVSMTZSJ-PXNSSMCTSA-N 2 1 368.868 3.333 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567680718 505534034 /nfs/dbraw/zinc/53/40/34/505534034.db2.gz CXQJUDOQZIUBOW-UYAOXDASSA-N 2 1 356.510 3.290 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccccc1C(F)(F)F ZINC000567700242 505541381 /nfs/dbraw/zinc/54/13/81/505541381.db2.gz HYZNHHBIKGECPS-UYSNPLJNSA-N 2 1 372.431 3.052 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562240399 505549770 /nfs/dbraw/zinc/54/97/70/505549770.db2.gz DEDNJFKWIZORMR-PZJWPPBQSA-N 2 1 374.573 3.318 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000552817734 505559728 /nfs/dbraw/zinc/55/97/28/505559728.db2.gz YSKCPRHPRZBPOA-FQEVSTJZSA-N 2 1 361.530 3.069 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567890723 505570293 /nfs/dbraw/zinc/57/02/93/505570293.db2.gz AUVDIRHZMFEHKG-GRDNDAEWSA-N 2 1 370.324 3.011 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599314019 506408901 /nfs/dbraw/zinc/40/89/01/506408901.db2.gz IGFKMZVTYFVPMP-DBXWQHBBSA-N 2 1 357.542 3.265 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000599324517 506412877 /nfs/dbraw/zinc/41/28/77/506412877.db2.gz ZRZFZONPCBRJNB-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000589209801 506485460 /nfs/dbraw/zinc/48/54/60/506485460.db2.gz XCVPSVSJUDHETG-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000589209801 506485466 /nfs/dbraw/zinc/48/54/66/506485466.db2.gz XCVPSVSJUDHETG-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000589209801 506485470 /nfs/dbraw/zinc/48/54/70/506485470.db2.gz XCVPSVSJUDHETG-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469943 506589945 /nfs/dbraw/zinc/58/99/45/506589945.db2.gz JDCTXTKDFCUUQL-AEFFLSMTSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469943 506589949 /nfs/dbraw/zinc/58/99/49/506589949.db2.gz JDCTXTKDFCUUQL-AEFFLSMTSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469943 506589952 /nfs/dbraw/zinc/58/99/52/506589952.db2.gz JDCTXTKDFCUUQL-AEFFLSMTSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000583152072 506618408 /nfs/dbraw/zinc/61/84/08/506618408.db2.gz NUGZMOXWMAMFLZ-KRWDZBQOSA-N 2 1 362.477 3.086 20 0 FGADMP COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000603933889 506663007 /nfs/dbraw/zinc/66/30/07/506663007.db2.gz YQRCMNQNCNFCLO-HXUWFJFHSA-N 2 1 373.541 3.211 20 0 FGADMP COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000603933889 506663013 /nfs/dbraw/zinc/66/30/13/506663013.db2.gz YQRCMNQNCNFCLO-HXUWFJFHSA-N 2 1 373.541 3.211 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000589993006 506698943 /nfs/dbraw/zinc/69/89/43/506698943.db2.gz PMQNYZDETYDCTR-OAQYLSRUSA-N 2 1 353.510 3.318 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000589993006 506698949 /nfs/dbraw/zinc/69/89/49/506698949.db2.gz PMQNYZDETYDCTR-OAQYLSRUSA-N 2 1 353.510 3.318 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000589993006 506698955 /nfs/dbraw/zinc/69/89/55/506698955.db2.gz PMQNYZDETYDCTR-OAQYLSRUSA-N 2 1 353.510 3.318 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)[nH]1 ZINC000597232605 506849634 /nfs/dbraw/zinc/84/96/34/506849634.db2.gz WKEUWCKZMOSSGD-GOSISDBHSA-N 2 1 367.493 3.193 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786646 506942850 /nfs/dbraw/zinc/94/28/50/506942850.db2.gz FRTYDTXKBRCWNC-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC2)c1 ZINC000604789006 506942959 /nfs/dbraw/zinc/94/29/59/506942959.db2.gz WRYRVCXSQSMQEE-HXUWFJFHSA-N 2 1 374.573 3.189 20 0 FGADMP CCN(Cc1cccc(F)c1)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787125 506957925 /nfs/dbraw/zinc/95/79/25/506957925.db2.gz SJJSHFCTZMGAJZ-UHFFFAOYSA-N 2 1 363.521 3.226 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000600633851 507040786 /nfs/dbraw/zinc/04/07/86/507040786.db2.gz WKJFMKCVJCHYOA-IBGZPJMESA-N 2 1 363.933 3.499 20 0 FGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2o1 ZINC000600720224 507082216 /nfs/dbraw/zinc/08/22/16/507082216.db2.gz GAPNIZMNPKOCEP-UONOGXRCSA-N 2 1 370.371 3.179 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C3)ccc2o1 ZINC000600720224 507082222 /nfs/dbraw/zinc/08/22/22/507082222.db2.gz GAPNIZMNPKOCEP-UONOGXRCSA-N 2 1 370.371 3.179 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH+]1CCCCC1 ZINC000591073998 507101807 /nfs/dbraw/zinc/10/18/07/507101807.db2.gz WSHALGGFVVAUPB-IBGZPJMESA-N 2 1 373.541 3.156 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061638 507132567 /nfs/dbraw/zinc/13/25/67/507132567.db2.gz QRDBPDHOZPEOHB-MAUKXSAKSA-N 2 1 351.922 3.179 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000584061638 507132571 /nfs/dbraw/zinc/13/25/71/507132571.db2.gz QRDBPDHOZPEOHB-MAUKXSAKSA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152295 507135712 /nfs/dbraw/zinc/13/57/12/507135712.db2.gz JOZSUVVZZDNSOQ-LEWJYISDSA-N 2 1 357.542 3.450 20 0 FGADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000613540316 507141309 /nfs/dbraw/zinc/14/13/09/507141309.db2.gz UATSBQPHOWREQE-LJQANCHMSA-N 2 1 362.514 3.181 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000600843074 507145209 /nfs/dbraw/zinc/14/52/09/507145209.db2.gz YPNJXALKHOQZRA-LPHOPBHVSA-N 2 1 374.554 3.171 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854957 507148560 /nfs/dbraw/zinc/14/85/60/507148560.db2.gz YKGMGHQIECKASR-VQTJNVASSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000600854957 507148563 /nfs/dbraw/zinc/14/85/63/507148563.db2.gz YKGMGHQIECKASR-VQTJNVASSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000600854957 507148566 /nfs/dbraw/zinc/14/85/66/507148566.db2.gz YKGMGHQIECKASR-VQTJNVASSA-N 2 1 374.573 3.461 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C2 ZINC000584200968 507208529 /nfs/dbraw/zinc/20/85/29/507208529.db2.gz XJQLBQZFYPXTRB-GOSISDBHSA-N 2 1 366.509 3.056 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000591374154 507222825 /nfs/dbraw/zinc/22/28/25/507222825.db2.gz BIZBLYXHYQFBGK-UHFFFAOYSA-N 2 1 370.545 3.315 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000591543927 507285062 /nfs/dbraw/zinc/28/50/62/507285062.db2.gz RICHQMCFATZDFF-QGZVFWFLSA-N 2 1 364.559 3.059 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C1CC1 ZINC000591554163 507289519 /nfs/dbraw/zinc/28/95/19/507289519.db2.gz UWWONNPSCQXIIJ-ROUUACIJSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)[N@H+](C)C1CC1 ZINC000591554163 507289524 /nfs/dbraw/zinc/28/95/24/507289524.db2.gz UWWONNPSCQXIIJ-ROUUACIJSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@@H]1C)[N@@H+](C)C1CC1 ZINC000591554163 507289529 /nfs/dbraw/zinc/28/95/29/507289529.db2.gz UWWONNPSCQXIIJ-ROUUACIJSA-N 2 1 372.557 3.343 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000591559428 507292505 /nfs/dbraw/zinc/29/25/05/507292505.db2.gz NGGUYVFQIUUPFK-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000591559428 507292512 /nfs/dbraw/zinc/29/25/12/507292512.db2.gz NGGUYVFQIUUPFK-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000591559428 507292515 /nfs/dbraw/zinc/29/25/15/507292515.db2.gz NGGUYVFQIUUPFK-MOPGFXCFSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591572874 507298582 /nfs/dbraw/zinc/29/85/82/507298582.db2.gz RCTRWABUPBKSKK-NRSPTQNISA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000594870341 507301406 /nfs/dbraw/zinc/30/14/06/507301406.db2.gz ZBZYTGILJNADFI-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000594870341 507301413 /nfs/dbraw/zinc/30/14/13/507301413.db2.gz ZBZYTGILJNADFI-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000594870341 507301419 /nfs/dbraw/zinc/30/14/19/507301419.db2.gz ZBZYTGILJNADFI-MOPGFXCFSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)C1 ZINC000584588334 507428059 /nfs/dbraw/zinc/42/80/59/507428059.db2.gz BDBKXMXQOYAMNG-HMXCVIKNSA-N 2 1 357.542 3.060 20 0 FGADMP FC(F)C(F)(F)COCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584689551 507450781 /nfs/dbraw/zinc/45/07/81/507450781.db2.gz SISIXARYDKRXIK-SJORKVTESA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000584689551 507450786 /nfs/dbraw/zinc/45/07/86/507450786.db2.gz SISIXARYDKRXIK-SJORKVTESA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584689551 507450792 /nfs/dbraw/zinc/45/07/92/507450792.db2.gz SISIXARYDKRXIK-SJORKVTESA-N 2 1 374.422 3.357 20 0 FGADMP FC(F)C(F)(F)COCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000584689551 507450797 /nfs/dbraw/zinc/45/07/97/507450797.db2.gz SISIXARYDKRXIK-SJORKVTESA-N 2 1 374.422 3.357 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)c1ccsc1 ZINC000606637834 507461135 /nfs/dbraw/zinc/46/11/35/507461135.db2.gz HJFJUTLSPIJWBY-QZTJIDSGSA-N 2 1 366.575 3.113 20 0 FGADMP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000606704666 507490040 /nfs/dbraw/zinc/49/00/40/507490040.db2.gz BJPFAOSMCIHBAH-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)n2c1CCCC2 ZINC000598637071 507527569 /nfs/dbraw/zinc/52/75/69/507527569.db2.gz XLFFWJMHRVIKBG-UHFFFAOYSA-N 2 1 373.541 3.498 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606903159 507549994 /nfs/dbraw/zinc/54/99/94/507549994.db2.gz ILFRXGRWBJAWPW-PZJWPPBQSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606903159 507550005 /nfs/dbraw/zinc/55/00/05/507550005.db2.gz ILFRXGRWBJAWPW-PZJWPPBQSA-N 2 1 374.569 3.450 20 0 FGADMP c1cn([C@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](n4ccnc4)C3)C2)cn1 ZINC000607151848 507634072 /nfs/dbraw/zinc/63/40/72/507634072.db2.gz SKPIHTRXLWDWSO-SFTDATJTSA-N 2 1 370.545 3.224 20 0 FGADMP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)[NH+](C)C ZINC000592450457 507661177 /nfs/dbraw/zinc/66/11/77/507661177.db2.gz BESQEIGCXPDRGI-LVCYWYKZSA-N 2 1 359.558 3.367 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602465335 507719028 /nfs/dbraw/zinc/71/90/28/507719028.db2.gz PQQMGZAEKJMLLO-GOSISDBHSA-N 2 1 355.448 3.003 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000480507776 514981546 /nfs/dbraw/zinc/98/15/46/514981546.db2.gz AOZMDUSSMKBNDI-IBGZPJMESA-N 2 1 351.498 3.401 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000480507776 514981558 /nfs/dbraw/zinc/98/15/58/514981558.db2.gz AOZMDUSSMKBNDI-IBGZPJMESA-N 2 1 351.498 3.401 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)CC[C@@H]1[NH3+] ZINC000669121474 568069612 /nfs/dbraw/zinc/06/96/12/568069612.db2.gz BHDXGRVJJJGCQH-WMQCIHAUSA-N 2 1 372.557 3.187 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736453901 599319802 /nfs/dbraw/zinc/31/98/02/599319802.db2.gz SBHHPMAZZOYRQL-MRXNPFEDSA-N 2 1 356.518 3.372 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261874 608524430 /nfs/dbraw/zinc/52/44/30/608524430.db2.gz SNQSQFNPCKPVJM-UZLBHIALSA-N 2 1 368.529 3.202 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945304 609328353 /nfs/dbraw/zinc/32/83/53/609328353.db2.gz BBNMFNBETTVZDR-LSDHHAIUSA-N 2 1 360.481 3.169 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H](O)c2ccc(Cl)cc2)CC1 ZINC000122142761 700685015 /nfs/dbraw/zinc/68/50/15/700685015.db2.gz LXXLCOBIWDFPEZ-HXUWFJFHSA-N 2 1 368.949 3.444 20 0 FGADMP CCN(CC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000124827617 700725483 /nfs/dbraw/zinc/72/54/83/700725483.db2.gz PVMRHUCXSDSFLK-GOSISDBHSA-N 2 1 353.551 3.440 20 0 FGADMP Cc1nccn1CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129722347 700791053 /nfs/dbraw/zinc/79/10/53/700791053.db2.gz YJQRGZSSXLVQJV-APWZRJJASA-N 2 1 360.527 3.233 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000129722347 700791057 /nfs/dbraw/zinc/79/10/57/700791057.db2.gz YJQRGZSSXLVQJV-APWZRJJASA-N 2 1 360.527 3.233 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000129722347 700791060 /nfs/dbraw/zinc/79/10/60/700791060.db2.gz YJQRGZSSXLVQJV-APWZRJJASA-N 2 1 360.527 3.233 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Br ZINC000154404696 705033440 /nfs/dbraw/zinc/03/34/40/705033440.db2.gz GDNCVJNNMOXSEQ-YOEHRIQHSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)c1ccccc1Br ZINC000154404696 705033447 /nfs/dbraw/zinc/03/34/47/705033447.db2.gz GDNCVJNNMOXSEQ-YOEHRIQHSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)c1ccccc1Br ZINC000154404696 705033453 /nfs/dbraw/zinc/03/34/53/705033453.db2.gz GDNCVJNNMOXSEQ-YOEHRIQHSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1ccccc1Br ZINC000154404696 705033459 /nfs/dbraw/zinc/03/34/59/705033459.db2.gz GDNCVJNNMOXSEQ-YOEHRIQHSA-N 2 1 355.320 3.289 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1ncc2c1cccc2Br ZINC000162800202 705303738 /nfs/dbraw/zinc/30/37/38/705303738.db2.gz MHMZYIMHXCPWMV-UHFFFAOYSA-N 2 1 362.275 3.283 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1ncc2c1cccc2Br ZINC000162800202 705303744 /nfs/dbraw/zinc/30/37/44/705303744.db2.gz MHMZYIMHXCPWMV-UHFFFAOYSA-N 2 1 362.275 3.283 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000181458376 705794859 /nfs/dbraw/zinc/79/48/59/705794859.db2.gz PWLOUERIDJFGHI-UHFFFAOYSA-N 2 1 351.495 3.200 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425320 713604957 /nfs/dbraw/zinc/60/49/57/713604957.db2.gz KPHJCBUELCULDO-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425320 713604959 /nfs/dbraw/zinc/60/49/59/713604959.db2.gz KPHJCBUELCULDO-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000245425320 713604961 /nfs/dbraw/zinc/60/49/61/713604961.db2.gz KPHJCBUELCULDO-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921340 713614121 /nfs/dbraw/zinc/61/41/21/713614121.db2.gz HBCSVIQYIQSOFI-SQNIBIBYSA-N 2 1 353.551 3.390 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1(F)F ZINC000414299996 714003938 /nfs/dbraw/zinc/00/39/38/714003938.db2.gz LDAAJZRYPXZFIN-QXCZDIPSSA-N 2 1 350.453 3.035 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000523195820 714222245 /nfs/dbraw/zinc/22/22/45/714222245.db2.gz AYQVNOHPNKKTMY-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1C1CCCC1)N1CCN(Cc2cccs2)CC1 ZINC000615459286 714529566 /nfs/dbraw/zinc/52/95/66/714529566.db2.gz JAUMFMPPJQKIJM-IBGZPJMESA-N 2 1 361.555 3.047 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000617507457 714663432 /nfs/dbraw/zinc/66/34/32/714663432.db2.gz XJJNKRVSQBBUMW-AWEZNQCLSA-N 2 1 371.928 3.145 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(Cl)cc1F ZINC000617507457 714663436 /nfs/dbraw/zinc/66/34/36/714663436.db2.gz XJJNKRVSQBBUMW-AWEZNQCLSA-N 2 1 371.928 3.145 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2c(F)cccc2F)c2cccs2)CC1 ZINC000620437023 714916237 /nfs/dbraw/zinc/91/62/37/714916237.db2.gz REYWFOHFCQCSLR-QGZVFWFLSA-N 2 1 351.466 3.105 20 0 FGADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 ZINC000643489063 718036248 /nfs/dbraw/zinc/03/62/48/718036248.db2.gz QLHFEAZTIJYXOH-KCXAZCMYSA-N 2 1 355.404 3.054 20 0 FGADMP COc1cc(Br)c(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623405335 715329194 /nfs/dbraw/zinc/32/91/94/715329194.db2.gz BXVLTMLPAAMHBS-ZDUSSCGKSA-N 2 1 371.319 3.429 20 0 FGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888672 715424973 /nfs/dbraw/zinc/42/49/73/715424973.db2.gz PKPATUGQOJOHCK-WMZOPIPTSA-N 2 1 351.560 3.383 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779394410 724411219 /nfs/dbraw/zinc/41/12/19/724411219.db2.gz WRZYEILPNKZGDN-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccccc4F)sc32)CCOCC1 ZINC000629519698 716302800 /nfs/dbraw/zinc/30/28/00/716302800.db2.gz CIPYEHUPDSYUED-OAHLLOKOSA-N 2 1 361.486 3.424 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562842 716308635 /nfs/dbraw/zinc/30/86/35/716308635.db2.gz CQSHFHPLAMTGHQ-YOEHRIQHSA-N 2 1 360.420 3.313 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629562842 716308640 /nfs/dbraw/zinc/30/86/40/716308640.db2.gz CQSHFHPLAMTGHQ-YOEHRIQHSA-N 2 1 360.420 3.313 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629657378 716332068 /nfs/dbraw/zinc/33/20/68/716332068.db2.gz XBJWYRFAMWPQCT-SWLSCSKDSA-N 2 1 356.367 3.175 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629657378 716332084 /nfs/dbraw/zinc/33/20/84/716332084.db2.gz XBJWYRFAMWPQCT-SWLSCSKDSA-N 2 1 356.367 3.175 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+]3CCSCC3)ccc2C)CC[N@H+]1C ZINC000630871193 716523675 /nfs/dbraw/zinc/52/36/75/716523675.db2.gz ICIALPTVLIHQCP-PKOBYXMFSA-N 2 1 361.555 3.213 20 0 FGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000631655088 716654485 /nfs/dbraw/zinc/65/44/85/716654485.db2.gz VWPOROFUIDCXNT-AQNXPRMDSA-N 2 1 364.917 3.403 20 0 FGADMP CC(C)c1nc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000634703483 717109021 /nfs/dbraw/zinc/10/90/21/717109021.db2.gz WZSBVSCGRLURSW-FQEVSTJZSA-N 2 1 359.539 3.036 20 0 FGADMP CC(C)c1nc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000634703483 717109023 /nfs/dbraw/zinc/10/90/23/717109023.db2.gz WZSBVSCGRLURSW-FQEVSTJZSA-N 2 1 359.539 3.036 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2nc3cc(Br)ccc3o2)C1 ZINC000639258130 717538362 /nfs/dbraw/zinc/53/83/62/717538362.db2.gz ZXALTRPJYCFGSM-GFCCVEGCSA-N 2 1 352.276 3.412 20 0 FGADMP C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757760 717598794 /nfs/dbraw/zinc/59/87/94/717598794.db2.gz PEGGXJYLERXRBX-CQSZACIVSA-N 2 1 358.511 3.041 20 0 FGADMP O[C@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000644423561 718111051 /nfs/dbraw/zinc/11/10/51/718111051.db2.gz SUCIQSIROIPZNA-QZTJIDSGSA-N 2 1 356.432 3.129 20 0 FGADMP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000645118270 718183900 /nfs/dbraw/zinc/18/39/00/718183900.db2.gz NZKIAFUPVYDDGG-DLBZAZTESA-N 2 1 364.559 3.011 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000647330764 718350093 /nfs/dbraw/zinc/35/00/93/718350093.db2.gz NXGBYRTVKLGYFD-KRWDZBQOSA-N 2 1 360.420 3.471 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000647542264 718366597 /nfs/dbraw/zinc/36/65/97/718366597.db2.gz AXVNUNKJDBXXRH-HUUCEWRRSA-N 2 1 358.404 3.068 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000647542264 718366600 /nfs/dbraw/zinc/36/66/00/718366600.db2.gz AXVNUNKJDBXXRH-HUUCEWRRSA-N 2 1 358.404 3.068 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Cl ZINC000647976895 718391359 /nfs/dbraw/zinc/39/13/59/718391359.db2.gz VWOUOOFYKDMNEE-GVDBMIGSSA-N 2 1 363.933 3.229 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976292 718391437 /nfs/dbraw/zinc/39/14/37/718391437.db2.gz MOTVEDLHFCAIAU-HUUCEWRRSA-N 2 1 369.962 3.072 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000647980513 718391967 /nfs/dbraw/zinc/39/19/67/718391967.db2.gz QZNVLVSVNACZHJ-MCIONIFRSA-N 2 1 370.324 3.102 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)CSc2ccccc2)CC1 ZINC000649665427 718547291 /nfs/dbraw/zinc/54/72/91/718547291.db2.gz KOJIVWPIOWAKBL-QGZVFWFLSA-N 2 1 363.571 3.088 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)CSc2ccccc2)CC1 ZINC000649665427 718547292 /nfs/dbraw/zinc/54/72/92/718547292.db2.gz KOJIVWPIOWAKBL-QGZVFWFLSA-N 2 1 363.571 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705740 718716994 /nfs/dbraw/zinc/71/69/94/718716994.db2.gz UGWWFEUQURYYJI-JJRVBVJISA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723256 718720681 /nfs/dbraw/zinc/72/06/81/718720681.db2.gz KKPPDPYDFURYDN-HYVNUMGLSA-N 2 1 358.404 3.446 20 0 FGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723449 718720718 /nfs/dbraw/zinc/72/07/18/718720718.db2.gz NTUWPZYEXQMGPI-QGTPRVQTSA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723390 718720822 /nfs/dbraw/zinc/72/08/22/718720822.db2.gz NFNCZGRVGRYQNC-NJAFHUGGSA-N 2 1 358.511 3.066 20 0 FGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724084 718721310 /nfs/dbraw/zinc/72/13/10/718721310.db2.gz YCLNYJRCTANMCT-ZMSDIMECSA-N 2 1 368.905 3.218 20 0 FGADMP CC[N@@H+](CCCNC(=O)N1CCC(C[NH+](C)C)CC1)C1CCCCC1 ZINC000651220796 718784323 /nfs/dbraw/zinc/78/43/23/718784323.db2.gz VNPNZUNEBGJUAY-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP C[N@@H+](Cc1ccc(N2CCC3(CC[NH2+]CC3)[C@@H]2C(F)(F)F)nc1)C1CC1 ZINC001164388899 718815344 /nfs/dbraw/zinc/81/53/44/718815344.db2.gz RJVLZXUDDPRFPG-QGZVFWFLSA-N 2 1 368.447 3.187 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000652191351 718921876 /nfs/dbraw/zinc/92/18/76/718921876.db2.gz RYJQLSLGISTXLF-KRWDZBQOSA-N 2 1 366.937 3.151 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3Cl)C2)C1 ZINC000652349450 718935153 /nfs/dbraw/zinc/93/51/53/718935153.db2.gz OYGLSVIDZIOCFS-JOQOYGCGSA-N 2 1 356.869 3.076 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000652349618 718935220 /nfs/dbraw/zinc/93/52/20/718935220.db2.gz VNRDPBZXCSDZMV-XQQFMLRXSA-N 2 1 363.449 3.189 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652349617 718935280 /nfs/dbraw/zinc/93/52/80/718935280.db2.gz VNRDPBZXCSDZMV-RWMBFGLXSA-N 2 1 363.449 3.189 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652354085 718935948 /nfs/dbraw/zinc/93/59/48/718935948.db2.gz MRMVGRPDYNGEBF-CZUORRHYSA-N 2 1 353.894 3.127 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccccc2Cl)C1 ZINC000652361766 718936861 /nfs/dbraw/zinc/93/68/61/718936861.db2.gz OVAOELYFLUCJNF-JLSDUUJJSA-N 2 1 365.905 3.029 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362553 718936888 /nfs/dbraw/zinc/93/68/88/718936888.db2.gz JOGASRKTJDCWPR-LZQZEXGQSA-N 2 1 350.528 3.148 20 0 FGADMP CCOc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)ccc1OC(F)F ZINC000653492413 719047997 /nfs/dbraw/zinc/04/79/97/719047997.db2.gz LHERZAJBOMAMCU-UHFFFAOYSA-N 2 1 353.413 3.485 20 0 FGADMP CCOc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)ccc1OC(F)F ZINC000653492413 719048001 /nfs/dbraw/zinc/04/80/01/719048001.db2.gz LHERZAJBOMAMCU-UHFFFAOYSA-N 2 1 353.413 3.485 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845344 719239603 /nfs/dbraw/zinc/23/96/03/719239603.db2.gz IZOZDRVTFZDFRS-CRAIPNDOSA-N 2 1 351.922 3.133 20 0 FGADMP FC(F)Oc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655682425 719325203 /nfs/dbraw/zinc/32/52/03/719325203.db2.gz FHYHPINICFJDFR-SFHVURJKSA-N 2 1 354.441 3.064 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)SC2)c1 ZINC000655707774 719328157 /nfs/dbraw/zinc/32/81/57/719328157.db2.gz CNPPQEKZZBYPKV-WMZOPIPTSA-N 2 1 352.544 3.017 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1cccc(Cl)c1Cl ZINC000659296549 719892527 /nfs/dbraw/zinc/89/25/27/719892527.db2.gz GEJDFPRBDVDAMN-HOCLYGCPSA-N 2 1 358.313 3.278 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCSc1ccc(F)cc1F ZINC000660119238 719992541 /nfs/dbraw/zinc/99/25/41/719992541.db2.gz ZRISXWSNAWEVBB-HYVNUMGLSA-N 2 1 356.482 3.240 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccc(F)cc1F ZINC000660119238 719992542 /nfs/dbraw/zinc/99/25/42/719992542.db2.gz ZRISXWSNAWEVBB-HYVNUMGLSA-N 2 1 356.482 3.240 20 0 FGADMP CN(CC[N@@H+](C)CCSc1ccc(F)cc1F)C1CC[NH+](C)CC1 ZINC000660138973 719996670 /nfs/dbraw/zinc/99/66/70/719996670.db2.gz DIASKBGCUXTZLL-UHFFFAOYSA-N 2 1 357.514 3.015 20 0 FGADMP CC1(C)C[C@@H]([NH+]2CCCC3(CCC[N@H+]([C@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566829 720074879 /nfs/dbraw/zinc/07/48/79/720074879.db2.gz RYXXNOHUJQPFEX-FYQIFJIOSA-N 2 1 350.547 3.299 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000661404270 720242946 /nfs/dbraw/zinc/24/29/46/720242946.db2.gz VZSIHZBZVOVMLG-IAGOWNOFSA-N 2 1 366.937 3.115 20 0 FGADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274544 720408126 /nfs/dbraw/zinc/40/81/26/720408126.db2.gz VMZLBOCJCCUIKR-VXGBXAGGSA-N 2 1 358.711 3.319 20 0 FGADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274544 720408127 /nfs/dbraw/zinc/40/81/27/720408127.db2.gz VMZLBOCJCCUIKR-VXGBXAGGSA-N 2 1 358.711 3.319 20 0 FGADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294658 720411339 /nfs/dbraw/zinc/41/13/39/720411339.db2.gz DJYTYPMIIVOOSN-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320864 720414892 /nfs/dbraw/zinc/41/48/92/720414892.db2.gz XFSJWFZYGXFMHF-PBHICJAKSA-N 2 1 356.432 3.479 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1Cl ZINC000662336406 720416486 /nfs/dbraw/zinc/41/64/86/720416486.db2.gz BRSRGEGQJPGZJL-MJEQTWJJSA-N 2 1 370.324 3.245 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662408578 720425648 /nfs/dbraw/zinc/42/56/48/720425648.db2.gz XUCPTYQTHNZPRO-INIZCTEOSA-N 2 1 358.313 3.102 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000662752173 720456573 /nfs/dbraw/zinc/45/65/73/720456573.db2.gz GLBWCJVRTWTVNF-IRXDYDNUSA-N 2 1 367.827 3.037 20 0 FGADMP CSc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000664808537 720693178 /nfs/dbraw/zinc/69/31/78/720693178.db2.gz DOVBVCVNGJGCFL-HOTGVXAUSA-N 2 1 366.575 3.041 20 0 FGADMP CSc1ccc([C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000664808537 720693183 /nfs/dbraw/zinc/69/31/83/720693183.db2.gz DOVBVCVNGJGCFL-HOTGVXAUSA-N 2 1 366.575 3.041 20 0 FGADMP OC1(C(F)(F)F)CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000665254149 720747595 /nfs/dbraw/zinc/74/75/95/720747595.db2.gz ISYRPVQCKZOGBM-JCCCHCCOSA-N 2 1 360.395 3.097 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CC2CCOCC2)cc1F ZINC000665259402 720748136 /nfs/dbraw/zinc/74/81/36/720748136.db2.gz FDBFYULLAUKSQA-LJHODMEESA-N 2 1 350.478 3.075 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCSCC2)cc1F ZINC000665259958 720748160 /nfs/dbraw/zinc/74/81/60/720748160.db2.gz WJWAGLWJCWUBPY-OWQGQXMQSA-N 2 1 352.519 3.401 20 0 FGADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(SCC(F)(F)F)cc1 ZINC000665292274 720751014 /nfs/dbraw/zinc/75/10/14/720751014.db2.gz XVENSWHYXDNHLZ-JTQLQIEISA-N 2 1 372.416 3.146 20 0 FGADMP CSc1cccc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666737305 720972482 /nfs/dbraw/zinc/97/24/82/720972482.db2.gz HBAZUCQNAXIPDM-HNNXBMFYSA-N 2 1 352.548 3.110 20 0 FGADMP CSc1cccc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666737305 720972485 /nfs/dbraw/zinc/97/24/85/720972485.db2.gz HBAZUCQNAXIPDM-HNNXBMFYSA-N 2 1 352.548 3.110 20 0 FGADMP CCOc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000667177402 721046233 /nfs/dbraw/zinc/04/62/33/721046233.db2.gz QTTXXLLRQHRYJM-AWEZNQCLSA-N 2 1 370.925 3.132 20 0 FGADMP CCOc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000667177402 721046238 /nfs/dbraw/zinc/04/62/38/721046238.db2.gz QTTXXLLRQHRYJM-AWEZNQCLSA-N 2 1 370.925 3.132 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053919 721681496 /nfs/dbraw/zinc/68/14/96/721681496.db2.gz FLGHVHPZBZKIPW-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053919 721681497 /nfs/dbraw/zinc/68/14/97/721681497.db2.gz FLGHVHPZBZKIPW-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053919 721681498 /nfs/dbraw/zinc/68/14/98/721681498.db2.gz FLGHVHPZBZKIPW-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000674053919 721681499 /nfs/dbraw/zinc/68/14/99/721681499.db2.gz FLGHVHPZBZKIPW-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026192 721811029 /nfs/dbraw/zinc/81/10/29/721811029.db2.gz PKHYISWOWMRXEH-IOMROCGXSA-N 2 1 365.525 3.280 20 0 FGADMP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1 ZINC001165026189 721811274 /nfs/dbraw/zinc/81/12/74/721811274.db2.gz PKHYISWOWMRXEH-DZFGPLHGSA-N 2 1 365.525 3.280 20 0 FGADMP Cc1nc([C@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000676840017 721835008 /nfs/dbraw/zinc/83/50/08/721835008.db2.gz VMFJASGLTIRYCP-XJKSGUPXSA-N 2 1 364.584 3.461 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241505 721875788 /nfs/dbraw/zinc/87/57/88/721875788.db2.gz PONXFCIGPOEUKY-HKUYNNGSSA-N 2 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241505 721875792 /nfs/dbraw/zinc/87/57/92/721875792.db2.gz PONXFCIGPOEUKY-HKUYNNGSSA-N 3 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241505 721875795 /nfs/dbraw/zinc/87/57/95/721875795.db2.gz PONXFCIGPOEUKY-HKUYNNGSSA-N 3 1 362.587 3.134 20 0 FGADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343123 721953261 /nfs/dbraw/zinc/95/32/61/721953261.db2.gz MQJPWJFMAKIXNO-HUUCEWRRSA-N 2 1 358.917 3.474 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000678774975 721978037 /nfs/dbraw/zinc/97/80/37/721978037.db2.gz VMPDIWXDJIEYAN-MJGOQNOKSA-N 2 1 367.896 3.215 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679338780 722024047 /nfs/dbraw/zinc/02/40/47/722024047.db2.gz ZRCGYMMWBUMYLP-SJORKVTESA-N 2 1 364.287 3.464 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227223 722286672 /nfs/dbraw/zinc/28/66/72/722286672.db2.gz OUFICDQNNONNIZ-KBPBESRZSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227223 722286673 /nfs/dbraw/zinc/28/66/73/722286673.db2.gz OUFICDQNNONNIZ-KBPBESRZSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3cccnc32)c2cccs2)CC1 ZINC000684953403 722369392 /nfs/dbraw/zinc/36/93/92/722369392.db2.gz GVDCDRVBAUVKDW-ROUUACIJSA-N 2 1 356.539 3.099 20 0 FGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000741389885 722545398 /nfs/dbraw/zinc/54/53/98/722545398.db2.gz XDJMJMJWDBWLQC-QFBILLFUSA-N 2 1 366.933 3.060 20 0 FGADMP COc1ccc(Cl)cc1C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000741389885 722545399 /nfs/dbraw/zinc/54/53/99/722545399.db2.gz XDJMJMJWDBWLQC-QFBILLFUSA-N 2 1 366.933 3.060 20 0 FGADMP c1csc(-c2ccn(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)c1 ZINC000744441328 722576963 /nfs/dbraw/zinc/57/69/63/722576963.db2.gz MLWVKRPBDHZDHG-UHFFFAOYSA-N 2 1 360.527 3.146 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000762925972 723293124 /nfs/dbraw/zinc/29/31/24/723293124.db2.gz LNQCDAINVHTXDQ-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)[C@H]1CNC(=O)OC(C)(C)C ZINC000762925972 723293127 /nfs/dbraw/zinc/29/31/27/723293127.db2.gz LNQCDAINVHTXDQ-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000763043582 723306095 /nfs/dbraw/zinc/30/60/95/723306095.db2.gz GLAQWRZROLPFLV-SFHVURJKSA-N 2 1 363.933 3.295 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CCC1 ZINC000763043582 723306102 /nfs/dbraw/zinc/30/61/02/723306102.db2.gz GLAQWRZROLPFLV-SFHVURJKSA-N 2 1 363.933 3.295 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793330599 723425731 /nfs/dbraw/zinc/42/57/31/723425731.db2.gz JWKGZRVEADMBNL-AEFFLSMTSA-N 2 1 351.535 3.264 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]2C[N@@H+](CCC[NH+]3CCCCC3)CC[C@H]21 ZINC000795126449 723565589 /nfs/dbraw/zinc/56/55/89/723565589.db2.gz WJRBJCJIGHDRSD-ZWKOTPCHSA-N 2 1 351.535 3.194 20 0 FGADMP CC[C@H](C[NH2+][C@H](C)C1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000768200993 723650345 /nfs/dbraw/zinc/65/03/45/723650345.db2.gz SBPRRVLIHAJCNS-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796766818 723654046 /nfs/dbraw/zinc/65/40/46/723654046.db2.gz YDOCGLQYFKOSSX-KSZLIROESA-N 2 1 353.551 3.484 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000772875167 723770356 /nfs/dbraw/zinc/77/03/56/723770356.db2.gz LGFRWSHOGQWTHW-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc(O)ccc3Br)C2)CC1 ZINC000798957371 723979929 /nfs/dbraw/zinc/97/99/29/723979929.db2.gz UQZGMJKZHAXTIB-UHFFFAOYSA-N 2 1 353.304 3.463 20 0 FGADMP CC(C)(C)OC(=O)NCC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000799360592 724018133 /nfs/dbraw/zinc/01/81/33/724018133.db2.gz OXDIFKPGCOWFFI-GOSISDBHSA-N 2 1 353.551 3.489 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3nc(Cl)ccc32)C1 ZINC000806157440 725118689 /nfs/dbraw/zinc/11/86/89/725118689.db2.gz FVOGJLGYFPLEBK-WMZOPIPTSA-N 2 1 357.885 3.079 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809604373 725251373 /nfs/dbraw/zinc/25/13/73/725251373.db2.gz SVKPFJNBDHXUOT-HNNXBMFYSA-N 2 1 352.523 3.453 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765033 725266379 /nfs/dbraw/zinc/26/63/79/725266379.db2.gz KQPBKRATEZRTHU-FUHWJXTLSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765033 725266380 /nfs/dbraw/zinc/26/63/80/725266380.db2.gz KQPBKRATEZRTHU-FUHWJXTLSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765033 725266381 /nfs/dbraw/zinc/26/63/81/725266381.db2.gz KQPBKRATEZRTHU-FUHWJXTLSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765033 725266382 /nfs/dbraw/zinc/26/63/82/725266382.db2.gz KQPBKRATEZRTHU-FUHWJXTLSA-N 2 1 353.551 3.296 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144096 727045046 /nfs/dbraw/zinc/04/50/46/727045046.db2.gz UFYBJQFCKGKGAQ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144096 727045055 /nfs/dbraw/zinc/04/50/55/727045055.db2.gz UFYBJQFCKGKGAQ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144096 727045058 /nfs/dbraw/zinc/04/50/58/727045058.db2.gz UFYBJQFCKGKGAQ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144096 727045061 /nfs/dbraw/zinc/04/50/61/727045061.db2.gz UFYBJQFCKGKGAQ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP O[C@](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)(c1ccccc1)C(F)(F)F ZINC000817892344 727287255 /nfs/dbraw/zinc/28/72/55/727287255.db2.gz SZVBWSKKLNHOLG-BSDSXHPESA-N 2 1 356.432 3.337 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1Cc1nc3ccccn3c1Br)CC[NH2+]CC2 ZINC000818431924 727311258 /nfs/dbraw/zinc/31/12/58/727311258.db2.gz WMVFPNASEAQRNK-CYBMUJFWSA-N 2 1 363.303 3.061 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3ccccn3c1Br)CC[NH2+]CC2 ZINC000818431924 727311261 /nfs/dbraw/zinc/31/12/61/727311261.db2.gz WMVFPNASEAQRNK-CYBMUJFWSA-N 2 1 363.303 3.061 20 0 FGADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)c2cccc(Br)c2)[nH+]c1 ZINC000819129423 727350587 /nfs/dbraw/zinc/35/05/87/727350587.db2.gz IWYCJBUSXBAUDV-MRXNPFEDSA-N 2 1 364.287 3.278 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366070 727371292 /nfs/dbraw/zinc/37/12/92/727371292.db2.gz ICHAOCVJNGPZNZ-DYVFJYSZSA-N 2 1 373.310 3.117 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nc(-c2cccs2)no1 ZINC000871785237 735545959 /nfs/dbraw/zinc/54/59/59/735545959.db2.gz GQQSHIABOCNYDT-WODVXLOZSA-N 2 1 361.471 3.230 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nc(-c2cccs2)no1 ZINC000871785237 735545964 /nfs/dbraw/zinc/54/59/64/735545964.db2.gz GQQSHIABOCNYDT-WODVXLOZSA-N 2 1 361.471 3.230 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000823465423 729283190 /nfs/dbraw/zinc/28/31/90/729283190.db2.gz YBRDNZXHMOTDCC-ZWKOTPCHSA-N 2 1 353.551 3.201 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000824371298 729334184 /nfs/dbraw/zinc/33/41/84/729334184.db2.gz YTILWKZCYJHOPA-HRBLRVMOSA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000824371298 729334188 /nfs/dbraw/zinc/33/41/88/729334188.db2.gz YTILWKZCYJHOPA-HRBLRVMOSA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000824371298 729334190 /nfs/dbraw/zinc/33/41/90/729334190.db2.gz YTILWKZCYJHOPA-HRBLRVMOSA-N 2 1 353.551 3.340 20 0 FGADMP [NH3+]CCCCCCNC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000831251972 729628175 /nfs/dbraw/zinc/62/81/75/729628175.db2.gz FLQJSVMJWPRQSM-UHFFFAOYSA-N 2 1 366.937 3.076 20 0 FGADMP [NH3+]CCCCCCNC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000831251972 729628176 /nfs/dbraw/zinc/62/81/76/729628176.db2.gz FLQJSVMJWPRQSM-UHFFFAOYSA-N 2 1 366.937 3.076 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000831535656 729649555 /nfs/dbraw/zinc/64/95/55/729649555.db2.gz YYSRLWUBTGNSGO-IEBWSBKVSA-N 2 1 353.457 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000831535656 729649558 /nfs/dbraw/zinc/64/95/58/729649558.db2.gz YYSRLWUBTGNSGO-IEBWSBKVSA-N 2 1 353.457 3.124 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000834909767 729845621 /nfs/dbraw/zinc/84/56/21/729845621.db2.gz UFOCRGYOCFXXDZ-AEFFLSMTSA-N 2 1 353.551 3.486 20 0 FGADMP CN(C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCC([NH3+])CC1 ZINC000841835254 730280040 /nfs/dbraw/zinc/28/00/40/730280040.db2.gz MPDZPLFIAWBLHJ-YHOLWWCESA-N 2 1 364.559 3.042 20 0 FGADMP [NH3+]CCCCCCC[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000842472180 730506556 /nfs/dbraw/zinc/50/65/56/730506556.db2.gz URFNHLTXWWZNEV-UHFFFAOYSA-N 2 1 355.885 3.146 20 0 FGADMP C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCC([NH3+])CC1 ZINC000843355359 730610005 /nfs/dbraw/zinc/61/00/05/730610005.db2.gz LTASRRZJPFWZPB-UHFFFAOYSA-N 2 1 371.304 3.262 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401673 730712787 /nfs/dbraw/zinc/71/27/87/730712787.db2.gz NZAOIMCWPMQZTE-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401673 730712788 /nfs/dbraw/zinc/71/27/88/730712788.db2.gz NZAOIMCWPMQZTE-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844401673 730712792 /nfs/dbraw/zinc/71/27/92/730712792.db2.gz NZAOIMCWPMQZTE-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3(Br)CC3)CC2)CC1 ZINC000846814214 730983408 /nfs/dbraw/zinc/98/34/08/730983408.db2.gz OGUPTIJYUFGTIV-UHFFFAOYSA-N 2 1 372.395 3.042 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)cc1 ZINC000849057448 731224915 /nfs/dbraw/zinc/22/49/15/731224915.db2.gz KYWHWZGGWOVTEQ-KRWDZBQOSA-N 2 1 357.527 3.217 20 0 FGADMP CC[C@@H](CNC(=[NH2+])NCCc1cccs1)[N@H+]1CCc2ccccc2C1 ZINC000849063147 731225398 /nfs/dbraw/zinc/22/53/98/731225398.db2.gz YYFIRPDVGKVHMK-SFHVURJKSA-N 2 1 356.539 3.241 20 0 FGADMP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850535179 731370655 /nfs/dbraw/zinc/37/06/55/731370655.db2.gz VMQKPVASWVHYQT-LULLPPNCSA-N 2 1 350.453 3.301 20 0 FGADMP C(CCCC[NH+]1CCC2(COC2)C1)CCCC[N@H+]1CCC2(COC2)C1 ZINC000852683628 731619670 /nfs/dbraw/zinc/61/96/70/731619670.db2.gz NDQCCJLHAHLVBP-UHFFFAOYSA-N 2 1 350.547 3.162 20 0 FGADMP CCc1ncc(C[NH+]2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)s1 ZINC000856554409 732038468 /nfs/dbraw/zinc/03/84/68/732038468.db2.gz RJADESAPMSNQAP-QGZVFWFLSA-N 2 1 360.527 3.206 20 0 FGADMP CCc1ncc(C[N@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)s1 ZINC000856554409 732038469 /nfs/dbraw/zinc/03/84/69/732038469.db2.gz RJADESAPMSNQAP-QGZVFWFLSA-N 2 1 360.527 3.206 20 0 FGADMP CCc1ncc(C[N@@H+]2CC[C@@H](Oc3ccnc(C[NH+](C)CC)c3)C2)s1 ZINC000856554409 732038476 /nfs/dbraw/zinc/03/84/76/732038476.db2.gz RJADESAPMSNQAP-QGZVFWFLSA-N 2 1 360.527 3.206 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2)cc1 ZINC000859213302 732290881 /nfs/dbraw/zinc/29/08/81/732290881.db2.gz GGQKEVOGSKIOKD-IBGZPJMESA-N 2 1 362.901 3.273 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865438039 733201275 /nfs/dbraw/zinc/20/12/75/733201275.db2.gz XWNVUKHBXGBUGK-KGLIPLIRSA-N 2 1 367.456 3.154 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(ccnc2Cl)o1 ZINC000866261159 733330368 /nfs/dbraw/zinc/33/03/68/733330368.db2.gz QGHBAKBBYYGCAE-CQSZACIVSA-N 2 1 350.894 3.159 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705216 733386585 /nfs/dbraw/zinc/38/65/85/733386585.db2.gz VRPDHKCIQIUESL-GUXCAODWSA-N 2 1 363.571 3.497 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705216 733386588 /nfs/dbraw/zinc/38/65/88/733386588.db2.gz VRPDHKCIQIUESL-GUXCAODWSA-N 2 1 363.571 3.497 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870911035 733901278 /nfs/dbraw/zinc/90/12/78/733901278.db2.gz PYUJYBWPUIILRG-OWCBBSPXSA-N 2 1 367.896 3.106 20 0 FGADMP CCO[P@@](C)(=O)CC[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000876896756 736159646 /nfs/dbraw/zinc/15/96/46/736159646.db2.gz MDOOZCGOSWNVRH-SSOJOUAXSA-N 2 1 368.458 3.331 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C(F)(F)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883361320 737558543 /nfs/dbraw/zinc/55/85/43/737558543.db2.gz ZQBXVYRYPBEVQE-AEGPPILISA-N 2 1 366.374 3.045 20 0 FGADMP C([NH2+][C@@H]1CCOC2(CCCCC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000885980128 739206948 /nfs/dbraw/zinc/20/69/48/739206948.db2.gz UILJBGDEVYJGDW-LJQANCHMSA-N 2 1 350.547 3.493 20 0 FGADMP C[NH+](C)[C@@]1(CN[C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536502 739265123 /nfs/dbraw/zinc/26/51/23/739265123.db2.gz IYGUISALVYFKRI-XSDIEEQYSA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536502 739265127 /nfs/dbraw/zinc/26/51/27/739265127.db2.gz IYGUISALVYFKRI-XSDIEEQYSA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536502 739265130 /nfs/dbraw/zinc/26/51/30/739265130.db2.gz IYGUISALVYFKRI-XSDIEEQYSA-N 2 1 359.583 3.066 20 0 FGADMP Cc1csc(C[C@@H]2CCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)n1 ZINC000886692144 739285436 /nfs/dbraw/zinc/28/54/36/739285436.db2.gz SQZKRWXCPFPJOT-IBGZPJMESA-N 2 1 364.603 3.122 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@H](C)C1 ZINC000886774878 739296959 /nfs/dbraw/zinc/29/69/59/739296959.db2.gz XHMYVLDSNRUOSX-HSALFYBXSA-N 2 1 352.563 3.452 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000892608981 740022678 /nfs/dbraw/zinc/02/26/78/740022678.db2.gz SYMXLXSRLVAVDU-CVEARBPZSA-N 2 1 366.303 3.124 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000892608981 740022683 /nfs/dbraw/zinc/02/26/83/740022683.db2.gz SYMXLXSRLVAVDU-CVEARBPZSA-N 2 1 366.303 3.124 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnc(CC(F)(F)F)s2)CCN1c1cc[nH+]cc1 ZINC000896002261 742480147 /nfs/dbraw/zinc/48/01/47/742480147.db2.gz LGFXCDXMKGWZRC-GFCCVEGCSA-N 2 1 356.417 3.354 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnc(CC(F)(F)F)s2)CCN1c1cc[nH+]cc1 ZINC000896002261 742480150 /nfs/dbraw/zinc/48/01/50/742480150.db2.gz LGFXCDXMKGWZRC-GFCCVEGCSA-N 2 1 356.417 3.354 20 0 FGADMP C[C@@H](C[NH+]1CCOCC1)Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12 ZINC000899874559 743021585 /nfs/dbraw/zinc/02/15/85/743021585.db2.gz CWAHRJLTIZDMAI-LBPRGKRZSA-N 2 1 355.360 3.266 20 0 FGADMP CCOc1c(Cl)cc(-c2cc(C[N@H+](C)CCC[NH3+])on2)cc1OC ZINC000901389942 743266225 /nfs/dbraw/zinc/26/62/25/743266225.db2.gz MDBPRFYTJRUAMH-UHFFFAOYSA-N 2 1 353.850 3.183 20 0 FGADMP CCOc1c(Cl)cc(-c2cc(C[N@@H+](C)CCC[NH3+])on2)cc1OC ZINC000901389942 743266229 /nfs/dbraw/zinc/26/62/29/743266229.db2.gz MDBPRFYTJRUAMH-UHFFFAOYSA-N 2 1 353.850 3.183 20 0 FGADMP FC(F)(F)COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)ccn1 ZINC000903068475 743801764 /nfs/dbraw/zinc/80/17/64/743801764.db2.gz GBLKDNNAXIBSRL-VHRNVKJDSA-N 2 1 355.404 3.270 20 0 FGADMP FC(F)(F)COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)ccn1 ZINC000903068475 743801766 /nfs/dbraw/zinc/80/17/66/743801766.db2.gz GBLKDNNAXIBSRL-VHRNVKJDSA-N 2 1 355.404 3.270 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[NH2+]C12CCCC2)Nc1ccccc1Br ZINC000903486059 743856637 /nfs/dbraw/zinc/85/66/37/743856637.db2.gz RWJQZUXCBPWHKT-HNNXBMFYSA-N 2 1 366.303 3.042 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCCCOc1ccc(Br)cc1)C2 ZINC000903840963 743887593 /nfs/dbraw/zinc/88/75/93/743887593.db2.gz VGQULRPRQCLXQX-BPUTZDHNSA-N 2 1 353.304 3.420 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878499 743892451 /nfs/dbraw/zinc/89/24/51/743892451.db2.gz WGQQNMRPKQEWCT-HUUCEWRRSA-N 2 1 357.527 3.149 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878499 743892454 /nfs/dbraw/zinc/89/24/54/743892454.db2.gz WGQQNMRPKQEWCT-HUUCEWRRSA-N 2 1 357.527 3.149 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCS[C@@H](C)[C@H]2c2ccccc2)cnn1C ZINC000903894583 743893513 /nfs/dbraw/zinc/89/35/13/743893513.db2.gz ACTNNKBQHXJWPU-QKLQHJQFSA-N 2 1 358.555 3.025 20 0 FGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903897754 743893850 /nfs/dbraw/zinc/89/38/50/743893850.db2.gz JKOOSYAKHUZIDN-JKSUJKDBSA-N 2 1 363.575 3.427 20 0 FGADMP [NH3+][C@H](CC(F)F)CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000903906806 743895204 /nfs/dbraw/zinc/89/52/04/743895204.db2.gz ZDKNARCAXOMYOC-OAHLLOKOSA-N 2 1 365.390 3.196 20 0 FGADMP Cc1ccc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1F ZINC000919718330 758465219 /nfs/dbraw/zinc/46/52/19/758465219.db2.gz CPANLHXWYVEVBI-UHFFFAOYSA-N 2 1 359.474 3.090 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388223 758910423 /nfs/dbraw/zinc/91/04/23/758910423.db2.gz NOGKSPHJYYJBDP-XSYGEPLQSA-N 2 1 363.571 3.370 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@@H]1C(C)C ZINC000922391873 758912462 /nfs/dbraw/zinc/91/24/62/758912462.db2.gz BOMASFBTLDUQTG-VVWQDTPRSA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@H]1C(C)C ZINC000922392061 758912896 /nfs/dbraw/zinc/91/28/96/758912896.db2.gz AZFZXNTVAQEXHY-MLYOOKFZSA-N 2 1 363.571 3.370 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C4CCC4)s3)C2)[C@@H]1C(C)C ZINC000922392059 758912916 /nfs/dbraw/zinc/91/29/16/758912916.db2.gz AZFZXNTVAQEXHY-FTEYMNFISA-N 2 1 363.571 3.370 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)C)s3)C2)[C@@H]1C(C)C ZINC000922394728 758913789 /nfs/dbraw/zinc/91/37/89/758913789.db2.gz SERXVTCKJTVSEF-VXIBKDFQSA-N 2 1 351.560 3.226 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395337 758913803 /nfs/dbraw/zinc/91/38/03/758913803.db2.gz VMRVIQOTTLAANZ-FPAYPSAMSA-N 2 1 356.432 3.063 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317249 759099502 /nfs/dbraw/zinc/09/95/02/759099502.db2.gz CSQFVZBLTMVZMP-JKSUJKDBSA-N 2 1 366.937 3.016 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923508092 759135363 /nfs/dbraw/zinc/13/53/63/759135363.db2.gz UDPXXYFCSARLJJ-FUHWJXTLSA-N 2 1 364.555 3.253 20 0 FGADMP C[C@H]([NH2+]CCS(=O)(=O)Cc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000924781073 759389947 /nfs/dbraw/zinc/38/99/47/759389947.db2.gz CUMWCZUSFQQXIO-KRWDZBQOSA-N 2 1 360.523 3.014 20 0 FGADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+]C23CCC3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000925628677 759515099 /nfs/dbraw/zinc/51/50/99/759515099.db2.gz GUDOMRKDMVYNSB-OLMNPRSZSA-N 2 1 351.897 3.346 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OC(F)F ZINC000925779406 759536102 /nfs/dbraw/zinc/53/61/02/759536102.db2.gz NBAOESPELREVAR-CMPLNLGQSA-N 2 1 350.356 3.192 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCCC[NH+]2CCNCC2)ccc1SC ZINC000925844421 759556429 /nfs/dbraw/zinc/55/64/29/759556429.db2.gz KNXVSMPSXLYUDO-INIZCTEOSA-N 2 1 351.560 3.143 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688622 759803152 /nfs/dbraw/zinc/80/31/52/759803152.db2.gz GCSMPQZPONHGPR-QFBILLFUSA-N 2 1 357.885 3.079 20 0 FGADMP CC(C)(C)OC(=O)NCC1CC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000926739399 759813286 /nfs/dbraw/zinc/81/32/86/759813286.db2.gz RFTHRRGIALDRNQ-AOCRQIFASA-N 2 1 351.535 3.001 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)CC2 ZINC000930170973 760544192 /nfs/dbraw/zinc/54/41/92/760544192.db2.gz JCVZNMDQTXMIIN-SJORKVTESA-N 2 1 351.535 3.240 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932708143 761225516 /nfs/dbraw/zinc/22/55/16/761225516.db2.gz MUJXHHBGMOPBKS-DOTOQJQBSA-N 2 1 350.507 3.064 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932708143 761225519 /nfs/dbraw/zinc/22/55/19/761225519.db2.gz MUJXHHBGMOPBKS-DOTOQJQBSA-N 2 1 350.507 3.064 20 0 FGADMP C[N@@H+]1C[C@@H]2CN(CCCC(=O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000933733033 761465053 /nfs/dbraw/zinc/46/50/53/761465053.db2.gz ZFAKKKBHDMLFEA-QAPCUYQASA-N 2 1 365.315 3.296 20 0 FGADMP C[N@H+]1C[C@@H]2CN(CCCC(=O)c3ccc(Br)cc3)C[C@]2(C)C1 ZINC000933733033 761465065 /nfs/dbraw/zinc/46/50/65/761465065.db2.gz ZFAKKKBHDMLFEA-QAPCUYQASA-N 2 1 365.315 3.296 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000969690092 762860921 /nfs/dbraw/zinc/86/09/21/762860921.db2.gz OFUGORVWVLIHNZ-ZOCIIQOWSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000969690092 762860928 /nfs/dbraw/zinc/86/09/28/762860928.db2.gz OFUGORVWVLIHNZ-ZOCIIQOWSA-N 2 1 363.933 3.007 20 0 FGADMP Cc1cccc(Cl)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000999189046 765144418 /nfs/dbraw/zinc/14/44/18/765144418.db2.gz GSTRTGQDXWHCQB-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001007369445 765589151 /nfs/dbraw/zinc/58/91/51/765589151.db2.gz RDCALCJETQHTHG-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001007369445 765589158 /nfs/dbraw/zinc/58/91/58/765589158.db2.gz RDCALCJETQHTHG-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001007369445 765589168 /nfs/dbraw/zinc/58/91/68/765589168.db2.gz RDCALCJETQHTHG-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001007369445 765589174 /nfs/dbraw/zinc/58/91/74/765589174.db2.gz RDCALCJETQHTHG-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001007370122 765589203 /nfs/dbraw/zinc/58/92/03/765589203.db2.gz VYGYDIBNWAMNBD-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001007370122 765589209 /nfs/dbraw/zinc/58/92/09/765589209.db2.gz VYGYDIBNWAMNBD-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001007370122 765589217 /nfs/dbraw/zinc/58/92/17/765589217.db2.gz VYGYDIBNWAMNBD-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001007370122 765589221 /nfs/dbraw/zinc/58/92/21/765589221.db2.gz VYGYDIBNWAMNBD-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001020174527 765867006 /nfs/dbraw/zinc/86/70/06/765867006.db2.gz DTWWDKBMTHIKEX-NDVSXACPSA-N 2 1 363.933 3.368 20 0 FGADMP Cc1ccc(C[NH+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001027893775 766104390 /nfs/dbraw/zinc/10/43/90/766104390.db2.gz GADKHSFDWGYXGS-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(Cl)c1 ZINC001027893775 766104394 /nfs/dbraw/zinc/10/43/94/766104394.db2.gz GADKHSFDWGYXGS-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(Cl)c1 ZINC001027893775 766104399 /nfs/dbraw/zinc/10/43/99/766104399.db2.gz GADKHSFDWGYXGS-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001027892621 766104633 /nfs/dbraw/zinc/10/46/33/766104633.db2.gz AQFGOFGLLMHAIF-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001027892621 766104638 /nfs/dbraw/zinc/10/46/38/766104638.db2.gz AQFGOFGLLMHAIF-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001027892621 766104642 /nfs/dbraw/zinc/10/46/42/766104642.db2.gz AQFGOFGLLMHAIF-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001028552027 766125031 /nfs/dbraw/zinc/12/50/31/766125031.db2.gz DRSIETRGODVZMX-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001028552027 766125035 /nfs/dbraw/zinc/12/50/35/766125035.db2.gz DRSIETRGODVZMX-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001028552027 766125038 /nfs/dbraw/zinc/12/50/38/766125038.db2.gz DRSIETRGODVZMX-NZSAHSFTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(Cl)cc2C)CC[N@@H+]1C ZINC001038263778 766269511 /nfs/dbraw/zinc/26/95/11/766269511.db2.gz WWNXOUQIUCPIIR-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+]2Cc2ccc(Cl)cc2C)CC[N@H+]1C ZINC001038263778 766269514 /nfs/dbraw/zinc/26/95/14/766269514.db2.gz WWNXOUQIUCPIIR-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(Cl)cc2C)CC[NH+]1C ZINC001038263778 766269517 /nfs/dbraw/zinc/26/95/17/766269517.db2.gz WWNXOUQIUCPIIR-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(Cl)cc2C)CC[NH+]1C ZINC001038263778 766269520 /nfs/dbraw/zinc/26/95/20/766269520.db2.gz WWNXOUQIUCPIIR-GBESFXJTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](C/C(Cl)=C\Cl)CC2)CC[N@@H+]1C ZINC001052394242 766899244 /nfs/dbraw/zinc/89/92/44/766899244.db2.gz CDGVNJBUJDEVQN-UHJGOXSRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](C/C(Cl)=C\Cl)CC2)CC[N@H+]1C ZINC001052394242 766899258 /nfs/dbraw/zinc/89/92/58/766899258.db2.gz CDGVNJBUJDEVQN-UHJGOXSRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](C/C(Cl)=C\Cl)CC2)CC[NH+]1C ZINC001052394242 766899272 /nfs/dbraw/zinc/89/92/72/766899272.db2.gz CDGVNJBUJDEVQN-UHJGOXSRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](C/C(Cl)=C\Cl)CC2)CC[NH+]1C ZINC001052394242 766899285 /nfs/dbraw/zinc/89/92/85/766899285.db2.gz CDGVNJBUJDEVQN-UHJGOXSRSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001052394218 766900183 /nfs/dbraw/zinc/90/01/83/766900183.db2.gz BINAZFJGGZQGJA-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3csc(C)c3)CC2)CC[NH+]1C ZINC001052394218 766900188 /nfs/dbraw/zinc/90/01/88/766900188.db2.gz BINAZFJGGZQGJA-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3csc(C)c3)CC2)CC[NH+]1C ZINC001052394218 766900191 /nfs/dbraw/zinc/90/01/91/766900191.db2.gz BINAZFJGGZQGJA-CEXWTWQISA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](C/C(Cl)=C/Cl)CC2)CC[N@@H+]1C ZINC001052394240 766900328 /nfs/dbraw/zinc/90/03/28/766900328.db2.gz CDGVNJBUJDEVQN-KBDFUPCWSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](C/C(Cl)=C/Cl)CC2)CC[N@H+]1C ZINC001052394240 766900331 /nfs/dbraw/zinc/90/03/31/766900331.db2.gz CDGVNJBUJDEVQN-KBDFUPCWSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](C/C(Cl)=C/Cl)CC2)CC[NH+]1C ZINC001052394240 766900335 /nfs/dbraw/zinc/90/03/35/766900335.db2.gz CDGVNJBUJDEVQN-KBDFUPCWSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C/C(Cl)=C/Cl)CC2)CC[NH+]1C ZINC001052394240 766900340 /nfs/dbraw/zinc/90/03/40/766900340.db2.gz CDGVNJBUJDEVQN-KBDFUPCWSA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779013853 724380918 /nfs/dbraw/zinc/38/09/18/724380918.db2.gz JDLYOUQQVVFEMA-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000540161341 503694578 /nfs/dbraw/zinc/69/45/78/503694578.db2.gz SQIOAZUVPPABDG-BHIFYINESA-N 2 1 370.537 3.356 20 0 FGADMP C/C(=C\c1ccccc1OC(F)F)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000573647698 505585945 /nfs/dbraw/zinc/58/59/45/505585945.db2.gz RDIKGIBOFOLBGA-QIPHDZALSA-N 2 1 368.468 3.374 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000579618161 505588059 /nfs/dbraw/zinc/58/80/59/505588059.db2.gz AIAPFLSQFQNTCD-UHFFFAOYSA-N 2 1 364.578 3.016 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516638 493907586 /nfs/dbraw/zinc/90/75/86/493907586.db2.gz WHEOTXKABBVVQB-PBHICJAKSA-N 2 1 355.320 3.146 20 0 FGADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870886 505599826 /nfs/dbraw/zinc/59/98/26/505599826.db2.gz PXLXDPQQLRUHDD-CTNGQTDRSA-N 2 1 360.542 3.318 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836313 505629649 /nfs/dbraw/zinc/62/96/49/505629649.db2.gz GCNYOUIIYGKHGW-NHCUHLMSSA-N 2 1 362.521 3.429 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836313 505629653 /nfs/dbraw/zinc/62/96/53/505629653.db2.gz GCNYOUIIYGKHGW-NHCUHLMSSA-N 2 1 362.521 3.429 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000571007026 505631162 /nfs/dbraw/zinc/63/11/62/505631162.db2.gz UQBGKMVKMGWUPT-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000571007026 505631166 /nfs/dbraw/zinc/63/11/66/505631166.db2.gz UQBGKMVKMGWUPT-FQEVSTJZSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000571158779 505668231 /nfs/dbraw/zinc/66/82/31/505668231.db2.gz WQIIBSJJSBKQKI-ICSRJNTNSA-N 2 1 366.509 3.301 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(CC[N@H+]3CCCC[C@H]3C)CC1)C2 ZINC000577151155 505673641 /nfs/dbraw/zinc/67/36/41/505673641.db2.gz RNYIZJNZMBQECE-YLJYHZDGSA-N 2 1 372.557 3.257 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N1CCC(CC[N@@H+]3CCCC[C@H]3C)CC1)C2 ZINC000577151155 505673646 /nfs/dbraw/zinc/67/36/46/505673646.db2.gz RNYIZJNZMBQECE-YLJYHZDGSA-N 2 1 372.557 3.257 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N[C@@H]2CCCc3ccccc32)C1 ZINC000076003975 493807990 /nfs/dbraw/zinc/80/79/90/493807990.db2.gz COAKPZYJQALCCQ-WIYYLYMNSA-N 2 1 357.542 3.234 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126697 493837010 /nfs/dbraw/zinc/83/70/10/493837010.db2.gz DSPSFIVPPCPUPZ-RTWAWAEBSA-N 2 1 351.494 3.022 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126697 493837012 /nfs/dbraw/zinc/83/70/12/493837012.db2.gz DSPSFIVPPCPUPZ-RTWAWAEBSA-N 2 1 351.494 3.022 20 0 FGADMP CCCC[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337473 493844956 /nfs/dbraw/zinc/84/49/56/493844956.db2.gz KCSKOPUZSGITGA-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP CCCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000058337473 493844959 /nfs/dbraw/zinc/84/49/59/493844959.db2.gz KCSKOPUZSGITGA-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000568407563 505687364 /nfs/dbraw/zinc/68/73/64/505687364.db2.gz CQYSIEIOQPXNSS-CQSZACIVSA-N 2 1 372.353 3.469 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516638 493907578 /nfs/dbraw/zinc/90/75/78/493907578.db2.gz WHEOTXKABBVVQB-PBHICJAKSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516638 493907581 /nfs/dbraw/zinc/90/75/81/493907581.db2.gz WHEOTXKABBVVQB-PBHICJAKSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516638 493907583 /nfs/dbraw/zinc/90/75/83/493907583.db2.gz WHEOTXKABBVVQB-PBHICJAKSA-N 2 1 355.320 3.146 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OCc1cccnc1 ZINC000030906888 493912393 /nfs/dbraw/zinc/91/23/93/493912393.db2.gz AJUSGOSKDDMGRK-SFHVURJKSA-N 2 1 367.493 3.243 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000052120057 494005981 /nfs/dbraw/zinc/00/59/81/494005981.db2.gz NSMJSPHOKGOCMR-UHFFFAOYSA-N 2 1 372.476 3.288 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000069765570 494008544 /nfs/dbraw/zinc/00/85/44/494008544.db2.gz LUQCDRPWBURZMX-UHFFFAOYSA-N 2 1 360.546 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069765570 494008548 /nfs/dbraw/zinc/00/85/48/494008548.db2.gz LUQCDRPWBURZMX-UHFFFAOYSA-N 2 1 360.546 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000069765570 494008550 /nfs/dbraw/zinc/00/85/50/494008550.db2.gz LUQCDRPWBURZMX-UHFFFAOYSA-N 2 1 360.546 3.153 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284332 505698020 /nfs/dbraw/zinc/69/80/20/505698020.db2.gz RPUCIKKTPDWZJD-MOPGFXCFSA-N 2 1 370.468 3.455 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000571284332 505698024 /nfs/dbraw/zinc/69/80/24/505698024.db2.gz RPUCIKKTPDWZJD-MOPGFXCFSA-N 2 1 370.468 3.455 20 0 FGADMP NC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000063774043 494086618 /nfs/dbraw/zinc/08/66/18/494086618.db2.gz ITOMKVSDFBMNLO-NRFANRHFSA-N 2 1 351.494 3.379 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000036804276 494098224 /nfs/dbraw/zinc/09/82/24/494098224.db2.gz QUVDKGXJTSNVOK-UHFFFAOYSA-N 2 1 355.276 3.142 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)CC3CCCC3)CC2)cc1 ZINC000064021575 494102793 /nfs/dbraw/zinc/10/27/93/494102793.db2.gz DGCOUQIHAWQCGI-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)CC3CCCC3)CC2)cc1 ZINC000064021575 494102799 /nfs/dbraw/zinc/10/27/99/494102799.db2.gz DGCOUQIHAWQCGI-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)CC3CCCC3)CC2)cc1 ZINC000064021575 494102803 /nfs/dbraw/zinc/10/28/03/494102803.db2.gz DGCOUQIHAWQCGI-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000085389950 494119275 /nfs/dbraw/zinc/11/92/75/494119275.db2.gz IOCZNUSWXBBTRK-XLIONFOSSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000085389950 494119281 /nfs/dbraw/zinc/11/92/81/494119281.db2.gz IOCZNUSWXBBTRK-XLIONFOSSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000085389950 494119284 /nfs/dbraw/zinc/11/92/84/494119284.db2.gz IOCZNUSWXBBTRK-XLIONFOSSA-N 2 1 360.546 3.008 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501007 505710903 /nfs/dbraw/zinc/71/09/03/505710903.db2.gz NYQAWPRKQXLLMV-KRWDZBQOSA-N 2 1 356.432 3.172 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1)C1CC1 ZINC000568501007 505710904 /nfs/dbraw/zinc/71/09/04/505710904.db2.gz NYQAWPRKQXLLMV-KRWDZBQOSA-N 2 1 356.432 3.172 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1ccco1 ZINC000078402376 494292558 /nfs/dbraw/zinc/29/25/58/494292558.db2.gz IORUFROOSNGEQZ-AZUAARDMSA-N 2 1 357.498 3.472 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C[C@H]21 ZINC000568512106 505712837 /nfs/dbraw/zinc/71/28/37/505712837.db2.gz FXPGKAWOLMONGM-MCPWVCTESA-N 2 1 368.308 3.158 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000089512901 494319196 /nfs/dbraw/zinc/31/91/96/494319196.db2.gz NXEGGXMGCVRPMP-HNNXBMFYSA-N 2 1 352.544 3.394 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073225154 494342224 /nfs/dbraw/zinc/34/22/24/494342224.db2.gz GKWGJANDUKSMHR-FQEVSTJZSA-N 2 1 372.557 3.377 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)Cc1ccc(F)cc1 ZINC000073617535 494399947 /nfs/dbraw/zinc/39/99/47/494399947.db2.gz WIVKCCKPKVHBMN-DYESRHJHSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccc(F)cc1 ZINC000073617535 494399950 /nfs/dbraw/zinc/39/99/50/494399950.db2.gz WIVKCCKPKVHBMN-DYESRHJHSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617535 494399953 /nfs/dbraw/zinc/39/99/53/494399953.db2.gz WIVKCCKPKVHBMN-DYESRHJHSA-N 2 1 369.484 3.037 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccc(F)cc1 ZINC000073617535 494399954 /nfs/dbraw/zinc/39/99/54/494399954.db2.gz WIVKCCKPKVHBMN-DYESRHJHSA-N 2 1 369.484 3.037 20 0 FGADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795134 494430273 /nfs/dbraw/zinc/43/02/73/494430273.db2.gz IPAVSIAYXVNTDI-IAGOWNOFSA-N 2 1 366.575 3.257 20 0 FGADMP C[C@H]1CO[C@H](c2noc(C34CCCN3CCC4)n2)CN1Cc1ccccc1 ZINC000571389324 505721831 /nfs/dbraw/zinc/72/18/31/505721831.db2.gz HBHJOVAIIZQAKJ-WMZOPIPTSA-N 2 1 368.481 3.117 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090061800 494434929 /nfs/dbraw/zinc/43/49/29/494434929.db2.gz SVBWZKBYNBISFO-QUCCMNQESA-N 2 1 369.509 3.351 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000090061800 494434934 /nfs/dbraw/zinc/43/49/34/494434934.db2.gz SVBWZKBYNBISFO-QUCCMNQESA-N 2 1 369.509 3.351 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000073880862 494441879 /nfs/dbraw/zinc/44/18/79/494441879.db2.gz MKUMVMDTTUWAEP-UHFFFAOYSA-N 2 1 370.541 3.083 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000073897536 494444430 /nfs/dbraw/zinc/44/44/30/494444430.db2.gz UXZQGMSPXOLYNP-UXHICEINSA-N 2 1 360.546 3.114 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCCc2cccs2)CC1 ZINC000066960908 494446094 /nfs/dbraw/zinc/44/60/94/494446094.db2.gz RPLGFFCOGYWYOO-QGZVFWFLSA-N 2 1 365.587 3.239 20 0 FGADMP COc1ccc(-c2ccccc2C)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000574204536 505719682 /nfs/dbraw/zinc/71/96/82/505719682.db2.gz KKUADEBPAQENLD-OAQYLSRUSA-N 2 1 365.521 3.150 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c(OC)c1 ZINC000090523358 494478436 /nfs/dbraw/zinc/47/84/36/494478436.db2.gz HMBVFTYKUDHHOH-XPGWFJOJSA-N 2 1 362.514 3.122 20 0 FGADMP C[NH+]1CCC([NH2+]CCCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000090884113 494501174 /nfs/dbraw/zinc/50/11/74/494501174.db2.gz DEVPJKXMBQFYFV-UHFFFAOYSA-N 2 1 351.800 3.207 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000090884108 494501435 /nfs/dbraw/zinc/50/14/35/494501435.db2.gz AAGDFOBACLLMBS-FZMZJTMJSA-N 2 1 365.827 3.453 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1F ZINC000074229414 494502302 /nfs/dbraw/zinc/50/23/02/494502302.db2.gz QEKVABFOOYFSJX-HNNXBMFYSA-N 2 1 358.461 3.201 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074323717 494519577 /nfs/dbraw/zinc/51/95/77/494519577.db2.gz CVWXJHSWYAGEFV-QGZVFWFLSA-N 2 1 369.509 3.298 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000067381650 494527437 /nfs/dbraw/zinc/52/74/37/494527437.db2.gz HDSWZHLSTUBFAR-LJQANCHMSA-N 2 1 372.513 3.176 20 0 FGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447605 494539588 /nfs/dbraw/zinc/53/95/88/494539588.db2.gz KSTZNSXOJXYQQR-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000074582258 494562129 /nfs/dbraw/zinc/56/21/29/494562129.db2.gz ZCBMUNVXMGGTKJ-MSOLQXFVSA-N 2 1 359.514 3.283 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000056796643 494564699 /nfs/dbraw/zinc/56/46/99/494564699.db2.gz ZCHWODXXOOPLAA-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000056796643 494564702 /nfs/dbraw/zinc/56/47/02/494564702.db2.gz ZCHWODXXOOPLAA-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000056796643 494564708 /nfs/dbraw/zinc/56/47/08/494564708.db2.gz ZCHWODXXOOPLAA-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP COc1cc(OC)cc(C2(F)CC[NH+](CCCc3c[nH+]cn3C)CC2)c1 ZINC000571414605 505728408 /nfs/dbraw/zinc/72/84/08/505728408.db2.gz UMVOJNUZYFHIIY-UHFFFAOYSA-N 2 1 361.461 3.331 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000091336557 494585358 /nfs/dbraw/zinc/58/53/58/494585358.db2.gz COVUWXMTGMWURE-RDTXWAMCSA-N 2 1 367.331 3.263 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000121131308 494610361 /nfs/dbraw/zinc/61/03/61/494610361.db2.gz ZIYSOCZJWZMRAJ-GOSISDBHSA-N 2 1 363.550 3.124 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCCn2cc[nH+]c2C)C1 ZINC000121131308 494610368 /nfs/dbraw/zinc/61/03/68/494610368.db2.gz ZIYSOCZJWZMRAJ-GOSISDBHSA-N 2 1 363.550 3.124 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000115785783 494622321 /nfs/dbraw/zinc/62/23/21/494622321.db2.gz QKZQWNJTUUNPFB-ICSRJNTNSA-N 2 1 360.546 3.053 20 0 FGADMP CC1CC[NH+](CCCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107941345 494625206 /nfs/dbraw/zinc/62/52/06/494625206.db2.gz LTEYGIVPZMPLIO-BGYRXZFFSA-N 2 1 366.594 3.166 20 0 FGADMP CS(=O)(=O)Cc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000131531225 494649221 /nfs/dbraw/zinc/64/92/21/494649221.db2.gz CZQBLCHKIGPZKI-UHFFFAOYSA-N 2 1 364.555 3.118 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H]3CCCCO3)CC2)c1C ZINC000091708846 494655150 /nfs/dbraw/zinc/65/51/50/494655150.db2.gz XYEHODWJNOBQBZ-LJQANCHMSA-N 2 1 361.530 3.172 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H]3CCCCO3)CC2)c1C ZINC000091708846 494655154 /nfs/dbraw/zinc/65/51/54/494655154.db2.gz XYEHODWJNOBQBZ-LJQANCHMSA-N 2 1 361.530 3.172 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(N4CCCC4)nc3)CC2)C[C@H](C)O1 ZINC000092587222 494677602 /nfs/dbraw/zinc/67/76/02/494677602.db2.gz ZISMNQDGIRZAOR-KDURUIRLSA-N 2 1 372.557 3.003 20 0 FGADMP COc1cccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1OC ZINC000092587323 494677744 /nfs/dbraw/zinc/67/77/44/494677744.db2.gz QBDCLMHJLXZJQI-CALCHBBNSA-N 2 1 362.514 3.025 20 0 FGADMP O[C@@H](COCc1ccccc1Cl)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000121363030 494721218 /nfs/dbraw/zinc/72/12/18/494721218.db2.gz HNHDSTBFQNIDTJ-LJQANCHMSA-N 2 1 366.933 3.214 20 0 FGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000080616928 494748937 /nfs/dbraw/zinc/74/89/37/494748937.db2.gz PELLDUHGPMFAFK-SJLPKXTDSA-N 2 1 356.514 3.006 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821042 494763239 /nfs/dbraw/zinc/76/32/39/494763239.db2.gz NBLOTFBOFZMVNK-GOSISDBHSA-N 2 1 358.530 3.021 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000116491003 494799349 /nfs/dbraw/zinc/79/93/49/494799349.db2.gz JBAFSRAPWCVEBA-RBUKOAKNSA-N 2 1 372.557 3.243 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116539888 494811089 /nfs/dbraw/zinc/81/10/89/494811089.db2.gz WVXVCALBWWFAID-IBGZPJMESA-N 2 1 362.562 3.304 20 0 FGADMP CC(C)CCC[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000121619958 494822310 /nfs/dbraw/zinc/82/23/10/494822310.db2.gz VKLTUXIWBMKWFS-GURQWTFNSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000093132714 494831057 /nfs/dbraw/zinc/83/10/57/494831057.db2.gz NIKAXHSLXKLZAU-HXUWFJFHSA-N 2 1 357.542 3.220 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596871 494903164 /nfs/dbraw/zinc/90/31/64/494903164.db2.gz IBCXOSYNVBSBAK-NRFANRHFSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093596871 494903165 /nfs/dbraw/zinc/90/31/65/494903165.db2.gz IBCXOSYNVBSBAK-NRFANRHFSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)cc2)no1 ZINC000093660166 494908074 /nfs/dbraw/zinc/90/80/74/494908074.db2.gz CJUKWVOSCDMKGG-GOSISDBHSA-N 2 1 358.486 3.263 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)cc2)no1 ZINC000093660166 494908076 /nfs/dbraw/zinc/90/80/76/494908076.db2.gz CJUKWVOSCDMKGG-GOSISDBHSA-N 2 1 358.486 3.263 20 0 FGADMP Cc1nc(COc2ccc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)cc2)no1 ZINC000093660166 494908078 /nfs/dbraw/zinc/90/80/78/494908078.db2.gz CJUKWVOSCDMKGG-GOSISDBHSA-N 2 1 358.486 3.263 20 0 FGADMP Cc1nc(COc2ccc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)cc2)no1 ZINC000093660166 494908080 /nfs/dbraw/zinc/90/80/80/494908080.db2.gz CJUKWVOSCDMKGG-GOSISDBHSA-N 2 1 358.486 3.263 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742259 494915908 /nfs/dbraw/zinc/91/59/08/494915908.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 2 1 372.601 3.381 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742259 494915910 /nfs/dbraw/zinc/91/59/10/494915910.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742259 494915912 /nfs/dbraw/zinc/91/59/12/494915912.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742259 494915915 /nfs/dbraw/zinc/91/59/15/494915915.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000093742259 494915917 /nfs/dbraw/zinc/91/59/17/494915917.db2.gz NELPZGRGFUFKAW-FQEVSTJZSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786182 494917931 /nfs/dbraw/zinc/91/79/31/494917931.db2.gz YHGNZMYMQMEOIV-KRWDZBQOSA-N 2 1 374.447 3.251 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924901 494933625 /nfs/dbraw/zinc/93/36/25/494933625.db2.gz QYDFIGSELPWSMA-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000122263383 494949005 /nfs/dbraw/zinc/94/90/05/494949005.db2.gz FYQZSLNWFYXBGI-JOCHJYFZSA-N 2 1 371.569 3.252 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)cc2Br)CC1 ZINC000132992150 494953974 /nfs/dbraw/zinc/95/39/74/494953974.db2.gz RSOAUGYHSGDJES-UHFFFAOYSA-N 2 1 361.711 3.432 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000122495023 494984870 /nfs/dbraw/zinc/98/48/70/494984870.db2.gz AUOHECDGHKROCZ-UHFFFAOYSA-N 2 1 371.569 3.479 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000097428395 495035912 /nfs/dbraw/zinc/03/59/12/495035912.db2.gz YMWDPTMIFLSSOI-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000097428395 495035915 /nfs/dbraw/zinc/03/59/15/495035915.db2.gz YMWDPTMIFLSSOI-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000097428395 495035918 /nfs/dbraw/zinc/03/59/18/495035918.db2.gz YMWDPTMIFLSSOI-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000128076644 495040427 /nfs/dbraw/zinc/04/04/27/495040427.db2.gz ORVYGNRQLVUBOV-WIYYLYMNSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000098144380 495061994 /nfs/dbraw/zinc/06/19/94/495061994.db2.gz FEOKPVRXIBNEMH-HOCLYGCPSA-N 2 1 360.420 3.329 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cn1 ZINC000122973950 495062499 /nfs/dbraw/zinc/06/24/99/495062499.db2.gz FCTRAALMBOYOFQ-IRXDYDNUSA-N 2 1 371.485 3.111 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000128234995 495065007 /nfs/dbraw/zinc/06/50/07/495065007.db2.gz KWUVHFNCXDPVRN-WIYYLYMNSA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000128234995 495065008 /nfs/dbraw/zinc/06/50/08/495065008.db2.gz KWUVHFNCXDPVRN-WIYYLYMNSA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000128234995 495065010 /nfs/dbraw/zinc/06/50/10/495065010.db2.gz KWUVHFNCXDPVRN-WIYYLYMNSA-N 2 1 374.573 3.399 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)CC2)[nH+]1 ZINC000128238387 495065706 /nfs/dbraw/zinc/06/57/06/495065706.db2.gz USJIDNVBRPJXHR-KRWDZBQOSA-N 2 1 362.481 3.290 20 0 FGADMP NC(=O)[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc(F)cc1 ZINC000111374481 495068611 /nfs/dbraw/zinc/06/86/11/495068611.db2.gz PFHXZNZUYZAQLJ-VTHDOGFWSA-N 2 1 367.468 3.137 20 0 FGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)ccc1OC ZINC000128275756 495072411 /nfs/dbraw/zinc/07/24/11/495072411.db2.gz VSQFFOGUJCQDFD-SFHVURJKSA-N 2 1 353.938 3.417 20 0 FGADMP C[C@@H](CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000111445474 495075547 /nfs/dbraw/zinc/07/55/47/495075547.db2.gz UWJYWLPFRADPHP-INIZCTEOSA-N 2 1 360.546 3.115 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000123128191 495084695 /nfs/dbraw/zinc/08/46/95/495084695.db2.gz VUANHENARUJXGY-MPGHIAIKSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000123128191 495084700 /nfs/dbraw/zinc/08/47/00/495084700.db2.gz VUANHENARUJXGY-MPGHIAIKSA-N 2 1 367.497 3.166 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000134150793 495113464 /nfs/dbraw/zinc/11/34/64/495113464.db2.gz OZGCEEPQXLMEGO-FPOVZHCZSA-N 2 1 372.557 3.101 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000128725498 495141506 /nfs/dbraw/zinc/14/15/06/495141506.db2.gz HFDXRQWAJZELAB-KURKYZTESA-N 2 1 364.534 3.034 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000119425445 495164563 /nfs/dbraw/zinc/16/45/63/495164563.db2.gz BQCJEXPOERXPOK-UONOGXRCSA-N 2 1 369.431 3.496 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000129207118 495211141 /nfs/dbraw/zinc/21/11/41/495211141.db2.gz LJGIYJYEDGEKTM-IPMKNSEASA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000129207118 495211142 /nfs/dbraw/zinc/21/11/42/495211142.db2.gz LJGIYJYEDGEKTM-IPMKNSEASA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000129207118 495211143 /nfs/dbraw/zinc/21/11/43/495211143.db2.gz LJGIYJYEDGEKTM-IPMKNSEASA-N 2 1 366.594 3.259 20 0 FGADMP c1cc(OCCC[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)cc2c1OCO2 ZINC000134904910 495219751 /nfs/dbraw/zinc/21/97/51/495219751.db2.gz PZBMAQYFHLXNEG-VQIMIIECSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000134904910 495219754 /nfs/dbraw/zinc/21/97/54/495219754.db2.gz PZBMAQYFHLXNEG-VQIMIIECSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000134904910 495219759 /nfs/dbraw/zinc/21/97/59/495219759.db2.gz PZBMAQYFHLXNEG-VQIMIIECSA-N 2 1 358.482 3.133 20 0 FGADMP O=C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NC1(c2ccccc2)CCC1 ZINC000134904588 495219821 /nfs/dbraw/zinc/21/98/21/495219821.db2.gz JAQOTVRYELWPCK-NQIIRXRSSA-N 2 1 367.537 3.131 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC(C)(C)C1 ZINC000112701621 495226243 /nfs/dbraw/zinc/22/62/43/495226243.db2.gz XJKBKNKTLIAXJW-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112742438 495233930 /nfs/dbraw/zinc/23/39/30/495233930.db2.gz HHSZXXIYZISYJE-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(NC(=O)c2cccnc2)cc1 ZINC000129427036 495244276 /nfs/dbraw/zinc/24/42/76/495244276.db2.gz CYKZQVNWYNXNJL-GQIGUUNPSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129457625 495248123 /nfs/dbraw/zinc/24/81/23/495248123.db2.gz UEIVISDIPPNGHN-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Br)s1 ZINC000124366797 495276653 /nfs/dbraw/zinc/27/66/53/495276653.db2.gz XQILGRLPBKHTGL-CYBMUJFWSA-N 2 1 374.392 3.435 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)c2nc3ccccc3s2)C[C@@H]1n1ccnc1 ZINC000129797412 495297153 /nfs/dbraw/zinc/29/71/53/495297153.db2.gz JPZMAMABNIZFMX-ZBFHGGJFSA-N 2 1 369.494 3.039 20 0 FGADMP CCn1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cn1 ZINC000124572349 495309488 /nfs/dbraw/zinc/30/94/88/495309488.db2.gz PFHARKOCGOXPET-KSZLIROESA-N 2 1 356.514 3.363 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000124913397 495362982 /nfs/dbraw/zinc/36/29/82/495362982.db2.gz BHVNXRYPYUABPZ-FQEVSTJZSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000114455848 495377166 /nfs/dbraw/zinc/37/71/66/495377166.db2.gz VHQZBSSSQAEYIU-UHFFFAOYSA-N 2 1 371.569 3.463 20 0 FGADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125030935 495379758 /nfs/dbraw/zinc/37/97/58/495379758.db2.gz TXLJITIGHPMTRA-QZTJIDSGSA-N 2 1 373.541 3.262 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000125064959 495385656 /nfs/dbraw/zinc/38/56/56/495385656.db2.gz OMPNPNHJQOSRDV-UHFFFAOYSA-N 2 1 355.530 3.006 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000125064959 495385659 /nfs/dbraw/zinc/38/56/59/495385659.db2.gz OMPNPNHJQOSRDV-UHFFFAOYSA-N 2 1 355.530 3.006 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](COC(F)F)C2)CC1 ZINC000568799724 505779456 /nfs/dbraw/zinc/77/94/56/505779456.db2.gz DJWFTEHBGCNBDY-KRWDZBQOSA-N 2 1 367.484 3.280 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000130695810 495431480 /nfs/dbraw/zinc/43/14/80/495431480.db2.gz FCTQVZHHDMMAGT-HNNXBMFYSA-N 2 1 362.905 3.386 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000130695810 495431483 /nfs/dbraw/zinc/43/14/83/495431483.db2.gz FCTQVZHHDMMAGT-HNNXBMFYSA-N 2 1 362.905 3.386 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(I)cc1 ZINC000130708141 495433207 /nfs/dbraw/zinc/43/32/07/495433207.db2.gz KNALOZLMRFTKRQ-UHFFFAOYSA-N 2 1 369.250 3.318 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(I)cc1 ZINC000130708141 495433208 /nfs/dbraw/zinc/43/32/08/495433208.db2.gz KNALOZLMRFTKRQ-UHFFFAOYSA-N 2 1 369.250 3.318 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137426675 495441087 /nfs/dbraw/zinc/44/10/87/495441087.db2.gz IYGLZYXZQVFFSD-QUCCMNQESA-N 2 1 372.557 3.069 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[NH+](C)C1 ZINC000137478059 495442674 /nfs/dbraw/zinc/44/26/74/495442674.db2.gz VDPHCKMRGUHKFP-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@H+](C)C1 ZINC000137478059 495442677 /nfs/dbraw/zinc/44/26/77/495442677.db2.gz VDPHCKMRGUHKFP-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1C(F)(F)F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000137478059 495442680 /nfs/dbraw/zinc/44/26/80/495442680.db2.gz VDPHCKMRGUHKFP-CQSZACIVSA-N 2 1 357.420 3.308 20 0 FGADMP C[NH+](C)CCC[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000130810570 495449606 /nfs/dbraw/zinc/44/96/06/495449606.db2.gz DYDPYZDDOYEKOB-UHFFFAOYSA-N 2 1 350.098 3.253 20 0 FGADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000106486503 495458980 /nfs/dbraw/zinc/45/89/80/495458980.db2.gz GLOOYSJPYXHUFO-HNNXBMFYSA-N 2 1 370.522 3.282 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000130920791 495466863 /nfs/dbraw/zinc/46/68/63/495466863.db2.gz WMAZGFCTRXMSET-NVXWUHKLSA-N 2 1 360.527 3.327 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000130920791 495466869 /nfs/dbraw/zinc/46/68/69/495466869.db2.gz WMAZGFCTRXMSET-NVXWUHKLSA-N 2 1 360.527 3.327 20 0 FGADMP CC(C)[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000120836161 495467599 /nfs/dbraw/zinc/46/75/99/495467599.db2.gz ZZLIXRRPWOOWKY-UHFFFAOYSA-N 2 1 358.530 3.163 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554534 495468699 /nfs/dbraw/zinc/46/86/99/495468699.db2.gz MWSOCOQUWYZZBB-IEBWSBKVSA-N 2 1 374.529 3.041 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000580561812 505786596 /nfs/dbraw/zinc/78/65/96/505786596.db2.gz YEFQYOSKCGVSHM-OAHLLOKOSA-N 2 1 352.548 3.482 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115616686 495521479 /nfs/dbraw/zinc/52/14/79/495521479.db2.gz URINNQRWDMTVSO-UHFFFAOYSA-N 2 1 363.452 3.342 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000107368155 495525863 /nfs/dbraw/zinc/52/58/63/495525863.db2.gz BHSAIHKHPZIDBZ-QGZVFWFLSA-N 2 1 358.917 3.100 20 0 FGADMP C[C@@H](NC(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182547250 495608818 /nfs/dbraw/zinc/60/88/18/495608818.db2.gz ZGTKOUDRMYGSKJ-IAGOWNOFSA-N 2 1 364.578 3.202 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000173618796 495617670 /nfs/dbraw/zinc/61/76/70/495617670.db2.gz WPYGUCCJXRGGPM-HOTGVXAUSA-N 2 1 357.498 3.461 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000182564011 495617750 /nfs/dbraw/zinc/61/77/50/495617750.db2.gz GKNDEGKHVVRBOH-GUDVDZBRSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)Oc1cccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000182579723 495623524 /nfs/dbraw/zinc/62/35/24/495623524.db2.gz CLUNXPHNBLZBQY-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CC(C)Oc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182579723 495623528 /nfs/dbraw/zinc/62/35/28/495623528.db2.gz CLUNXPHNBLZBQY-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CC(C)Oc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000182579723 495623531 /nfs/dbraw/zinc/62/35/31/495623531.db2.gz CLUNXPHNBLZBQY-WCRBZPEASA-N 2 1 357.542 3.217 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000154482907 495629928 /nfs/dbraw/zinc/62/99/28/495629928.db2.gz YVIUCBNSCBTWBD-INIZCTEOSA-N 2 1 355.473 3.356 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCCC1 ZINC000173681637 495646441 /nfs/dbraw/zinc/64/64/41/495646441.db2.gz SPJOMVMBQOTPEC-NEWSRXKRSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Cl)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662436 495668057 /nfs/dbraw/zinc/66/80/57/495668057.db2.gz PMHBHDDFSJMMFT-JZXOWHBKSA-N 2 1 366.933 3.322 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691462 495680927 /nfs/dbraw/zinc/68/09/27/495680927.db2.gz NQAMXSJOHDDRIL-IRFCIJBXSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691462 495680933 /nfs/dbraw/zinc/68/09/33/495680933.db2.gz NQAMXSJOHDDRIL-IRFCIJBXSA-N 2 1 371.569 3.285 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735806 495703869 /nfs/dbraw/zinc/70/38/69/495703869.db2.gz NTBYTHCDOQVNOM-DLBZAZTESA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccccc1NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735806 495703872 /nfs/dbraw/zinc/70/38/72/495703872.db2.gz NTBYTHCDOQVNOM-DLBZAZTESA-N 2 1 359.514 3.266 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2Br)CC1 ZINC000173836838 495714158 /nfs/dbraw/zinc/71/41/58/495714158.db2.gz DKPXRNJAXOGKJN-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847461 495727086 /nfs/dbraw/zinc/72/70/86/495727086.db2.gz POPLEJBMIPSFGT-HQRMLTQVSA-N 2 1 373.545 3.019 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847461 495727087 /nfs/dbraw/zinc/72/70/87/495727087.db2.gz POPLEJBMIPSFGT-HQRMLTQVSA-N 2 1 373.545 3.019 20 0 FGADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173952759 495761337 /nfs/dbraw/zinc/76/13/37/495761337.db2.gz YMPMCPGKJOILCS-UHFFFAOYSA-N 2 1 373.541 3.073 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N(C)CCC[NH+](C)C)c1 ZINC000182935738 495764391 /nfs/dbraw/zinc/76/43/91/495764391.db2.gz KJJZZQDBPXIABT-UHFFFAOYSA-N 2 1 357.502 3.470 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](CC)c3nccn3C)CC2)cs1 ZINC000182949433 495770840 /nfs/dbraw/zinc/77/08/40/495770840.db2.gz NGMNQWPPXXHNCY-QGZVFWFLSA-N 2 1 361.559 3.392 20 0 FGADMP CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171387753 495850584 /nfs/dbraw/zinc/85/05/84/495850584.db2.gz PCVYHHQZHAISPI-GOSISDBHSA-N 2 1 362.518 3.288 20 0 FGADMP CCN(C(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1)C1CCCCC1 ZINC000155173155 495860522 /nfs/dbraw/zinc/86/05/22/495860522.db2.gz BDALQSSPVXYSEU-QGZVFWFLSA-N 2 1 360.546 3.244 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183160101 495861089 /nfs/dbraw/zinc/86/10/89/495861089.db2.gz NIOQFGQOFDNZPC-HSALFYBXSA-N 2 1 357.542 3.039 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3[nH]c4ccc(C)cc4c3C2)CC1 ZINC000180110817 495862527 /nfs/dbraw/zinc/86/25/27/495862527.db2.gz GUAQTQOZFSKUIC-LJQANCHMSA-N 2 1 368.569 3.341 20 0 FGADMP Cc1cc2cc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)oc2cc1C ZINC000574591459 505808778 /nfs/dbraw/zinc/80/87/78/505808778.db2.gz WNOVAPCMEVUBKU-UHFFFAOYSA-N 2 1 357.498 3.131 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cccc(F)c1F ZINC000183254753 495902674 /nfs/dbraw/zinc/90/26/74/495902674.db2.gz QFKVFGMXRPWYMV-CQSZACIVSA-N 2 1 361.436 3.107 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000177181110 495963559 /nfs/dbraw/zinc/96/35/59/495963559.db2.gz SPFIRWAUIHVUHM-RXVVDRJESA-N 2 1 372.557 3.069 20 0 FGADMP CCCOC[C@@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000186504118 496023168 /nfs/dbraw/zinc/02/31/68/496023168.db2.gz GVWKUILLSDBWAA-GOSISDBHSA-N 2 1 369.347 3.471 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2)C1 ZINC000174650652 496046973 /nfs/dbraw/zinc/04/69/73/496046973.db2.gz BHHYMPYAIODSFA-HDICACEKSA-N 2 1 357.542 3.123 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000571815889 505820549 /nfs/dbraw/zinc/82/05/49/505820549.db2.gz MAQUVXASWYIAHD-JLSDUUJJSA-N 2 1 351.922 3.131 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)[C@H](C)C1 ZINC000571815889 505820552 /nfs/dbraw/zinc/82/05/52/505820552.db2.gz MAQUVXASWYIAHD-JLSDUUJJSA-N 2 1 351.922 3.131 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000171940180 496102463 /nfs/dbraw/zinc/10/24/63/496102463.db2.gz DXTSAFJLAVOECV-UHFFFAOYSA-N 2 1 369.303 3.484 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000171940180 496102471 /nfs/dbraw/zinc/10/24/71/496102471.db2.gz DXTSAFJLAVOECV-UHFFFAOYSA-N 2 1 369.303 3.484 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152451462 496156609 /nfs/dbraw/zinc/15/66/09/496156609.db2.gz NJKHWAPGWNLBPR-JKSUJKDBSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(=O)N1CCCC[C@H]1C ZINC000156248771 496197252 /nfs/dbraw/zinc/19/72/52/496197252.db2.gz DWTZJFFBMNIXOH-RTBURBONSA-N 2 1 357.542 3.073 20 0 FGADMP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000175014981 496208262 /nfs/dbraw/zinc/20/82/62/496208262.db2.gz WAXWRDJIJJBZHI-OAQYLSRUSA-N 2 1 369.509 3.401 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177838896 496218001 /nfs/dbraw/zinc/21/80/01/496218001.db2.gz WYBSBHFMISDPEV-BXWFABGCSA-N 2 1 354.922 3.052 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000177878730 496235428 /nfs/dbraw/zinc/23/54/28/496235428.db2.gz LTDOROZUKUZTET-RBUKOAKNSA-N 2 1 372.557 3.195 20 0 FGADMP Fc1cccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)c1 ZINC000175100642 496247039 /nfs/dbraw/zinc/24/70/39/496247039.db2.gz NKLBNFRLMFCJGY-UHFFFAOYSA-N 2 1 359.445 3.025 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187016916 496253364 /nfs/dbraw/zinc/25/33/64/496253364.db2.gz NDMYTCSKEMDINM-GOSISDBHSA-N 2 1 361.599 3.445 20 0 FGADMP COc1cc(N[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000161938603 496266961 /nfs/dbraw/zinc/26/69/61/496266961.db2.gz VTCIBNKVXGWOPI-SFHVURJKSA-N 2 1 361.530 3.456 20 0 FGADMP COc1cc(N[C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000161938603 496266964 /nfs/dbraw/zinc/26/69/64/496266964.db2.gz VTCIBNKVXGWOPI-SFHVURJKSA-N 2 1 361.530 3.456 20 0 FGADMP FC(F)(F)CN1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000177968830 496269810 /nfs/dbraw/zinc/26/98/10/496269810.db2.gz XKXZVNSFJGVAKX-UHFFFAOYSA-N 2 1 369.475 3.310 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000181128418 496280462 /nfs/dbraw/zinc/28/04/62/496280462.db2.gz RJJSHOIPWMYUHB-PWSUYJOCSA-N 2 1 351.800 3.205 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000181128418 496280465 /nfs/dbraw/zinc/28/04/65/496280465.db2.gz RJJSHOIPWMYUHB-PWSUYJOCSA-N 2 1 351.800 3.205 20 0 FGADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035766 496298077 /nfs/dbraw/zinc/29/80/77/496298077.db2.gz WUJUXJUFSNITIL-ZIFCJYIRSA-N 2 1 362.514 3.388 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccs1 ZINC000172507691 496321777 /nfs/dbraw/zinc/32/17/77/496321777.db2.gz XKIWZZPVVVJHCI-QGZVFWFLSA-N 2 1 364.559 3.011 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2)CCN1Cc1ccccc1 ZINC000156976323 496377429 /nfs/dbraw/zinc/37/74/29/496377429.db2.gz WZMACBRFRBGGQH-HJNYFJLDSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000156976323 496377436 /nfs/dbraw/zinc/37/74/36/496377436.db2.gz WZMACBRFRBGGQH-HJNYFJLDSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156976323 496377457 /nfs/dbraw/zinc/37/74/57/496377457.db2.gz WZMACBRFRBGGQH-HJNYFJLDSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000574727152 505841631 /nfs/dbraw/zinc/84/16/31/505841631.db2.gz ZKJPRPFUNAOSSP-RMJOCGACSA-N 2 1 361.574 3.124 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1ccsc1 ZINC000178405549 496444792 /nfs/dbraw/zinc/44/47/92/496444792.db2.gz ADGUUAZRJFVUOQ-MRXNPFEDSA-N 2 1 373.522 3.260 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000187478348 496458923 /nfs/dbraw/zinc/45/89/23/496458923.db2.gz SPYLJGBCSHPXTL-NHCUHLMSSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187478348 496458927 /nfs/dbraw/zinc/45/89/27/496458927.db2.gz SPYLJGBCSHPXTL-NHCUHLMSSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000187478348 496458931 /nfs/dbraw/zinc/45/89/31/496458931.db2.gz SPYLJGBCSHPXTL-NHCUHLMSSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000181629632 496476370 /nfs/dbraw/zinc/47/63/70/496476370.db2.gz BPRQGRPNHCLXMJ-VCOUNFBDSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](CCNC(=O)N1CCC([NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175637647 496476705 /nfs/dbraw/zinc/47/67/05/496476705.db2.gz PBORMXBOQZPXAS-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175646744 496482076 /nfs/dbraw/zinc/48/20/76/496482076.db2.gz WMCHERLHYQARCF-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163218776 496483176 /nfs/dbraw/zinc/48/31/76/496483176.db2.gz YBIPIFXPPOPZTN-XLIONFOSSA-N 2 1 356.514 3.229 20 0 FGADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000178522573 496485461 /nfs/dbraw/zinc/48/54/61/496485461.db2.gz LVPDCDOHULGDCN-KRWDZBQOSA-N 2 1 355.320 3.337 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2cccc(Br)c21 ZINC000178522086 496486369 /nfs/dbraw/zinc/48/63/69/496486369.db2.gz BFQOCSWSRYYGTH-GUYCJALGSA-N 2 1 367.331 3.434 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157499935 496490361 /nfs/dbraw/zinc/49/03/61/496490361.db2.gz YGJNTMLRFJEZOM-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)n1cncc1CNc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000580828133 505847826 /nfs/dbraw/zinc/84/78/26/505847826.db2.gz DSKODANYLRGOSO-IBGZPJMESA-N 2 1 369.513 3.242 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)[C@H](c3ccccc3)[NH+](C)C)CC2)CC1 ZINC000178620587 496518573 /nfs/dbraw/zinc/51/85/73/496518573.db2.gz FYFCQLAIUQWPJK-CBNMVNINSA-N 2 1 357.542 3.449 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000175812977 496556283 /nfs/dbraw/zinc/55/62/83/496556283.db2.gz QFKLYDZZVYXTLM-IAGOWNOFSA-N 2 1 363.550 3.027 20 0 FGADMP COC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000187776978 496567091 /nfs/dbraw/zinc/56/70/91/496567091.db2.gz APGJQGGMMYPFKC-GCJKJVERSA-N 2 1 360.542 3.450 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000184942444 496594493 /nfs/dbraw/zinc/59/44/93/496594493.db2.gz ONKVZQHUFNCKCV-NHCUHLMSSA-N 2 1 351.494 3.025 20 0 FGADMP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1)[NH+](CC)CC ZINC000571953278 505854017 /nfs/dbraw/zinc/85/40/17/505854017.db2.gz OILQMCWWBMJPIC-PKOBYXMFSA-N 2 1 365.587 3.457 20 0 FGADMP CC[N@H+]1CC[C@H](NCC2([NH2+][C@@H](C)c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153922481 496624323 /nfs/dbraw/zinc/62/43/23/496624323.db2.gz NMGCXNJJQZBSOI-DYXWJJEUSA-N 3 1 359.558 3.206 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158210171 496651240 /nfs/dbraw/zinc/65/12/40/496651240.db2.gz BYNKIZRFNWZJBM-HOTGVXAUSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000173346467 496653077 /nfs/dbraw/zinc/65/30/77/496653077.db2.gz DNQBNCZFWFRYHY-MOPGFXCFSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165535081 496661311 /nfs/dbraw/zinc/66/13/11/496661311.db2.gz LSLFFVPCGZVDTD-DBXWQHBBSA-N 2 1 369.509 3.358 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165535081 496661313 /nfs/dbraw/zinc/66/13/13/496661313.db2.gz LSLFFVPCGZVDTD-DBXWQHBBSA-N 2 1 369.509 3.358 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Cl)nc1 ZINC000179109762 496679299 /nfs/dbraw/zinc/67/92/99/496679299.db2.gz BKGRNUSCUYUXCY-INIZCTEOSA-N 2 1 358.917 3.333 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000182269701 496723643 /nfs/dbraw/zinc/72/36/43/496723643.db2.gz DPMCZOXKCSPJJB-FPOVZHCZSA-N 2 1 352.478 3.257 20 0 FGADMP Cc1cc(NCc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)nc(C)[nH+]1 ZINC000263941309 496768828 /nfs/dbraw/zinc/76/88/28/496768828.db2.gz FHMBKGKQEYTQSJ-UHFFFAOYSA-N 2 1 370.497 3.195 20 0 FGADMP Cc1cc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)nc(C)[nH+]1 ZINC000263941309 496768832 /nfs/dbraw/zinc/76/88/32/496768832.db2.gz FHMBKGKQEYTQSJ-UHFFFAOYSA-N 2 1 370.497 3.195 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000268740165 496770471 /nfs/dbraw/zinc/77/04/71/496770471.db2.gz PKAVNCKYKXSCLT-NRFANRHFSA-N 2 1 352.478 3.305 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccc(N(C)C)c2)CC1 ZINC000191513246 496792598 /nfs/dbraw/zinc/79/25/98/496792598.db2.gz OYSVGTXWGPGOPM-QFIPXVFZSA-N 2 1 358.574 3.306 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000268832143 496797499 /nfs/dbraw/zinc/79/74/99/496797499.db2.gz SPURBTMDTBFPGU-LBPRGKRZSA-N 2 1 370.375 3.097 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000268863796 496807770 /nfs/dbraw/zinc/80/77/70/496807770.db2.gz DWWYZQQLVOTXFI-HZEGPAAWSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1 ZINC000268863796 496807772 /nfs/dbraw/zinc/80/77/72/496807772.db2.gz DWWYZQQLVOTXFI-HZEGPAAWSA-N 2 1 357.542 3.134 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000268885616 496813559 /nfs/dbraw/zinc/81/35/59/496813559.db2.gz YXWYEFOSHHGBTI-QGZVFWFLSA-N 2 1 371.294 3.012 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268894915 496817452 /nfs/dbraw/zinc/81/74/52/496817452.db2.gz NODKKDZQFJDGKA-ZDUSSCGKSA-N 2 1 371.453 3.319 20 0 FGADMP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000191591001 496823872 /nfs/dbraw/zinc/82/38/72/496823872.db2.gz DYDKJIDCROLFPP-HSZRJFAPSA-N 2 1 366.505 3.372 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247320850 496834354 /nfs/dbraw/zinc/83/43/54/496834354.db2.gz HZWNWDRQKBWUMF-PZJWPPBQSA-N 2 1 374.573 3.413 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000268972596 496839395 /nfs/dbraw/zinc/83/93/95/496839395.db2.gz ATZFHJXLBGEYST-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000247339972 496839512 /nfs/dbraw/zinc/83/95/12/496839512.db2.gz NRMCXXZMQUUWBI-KSZLIROESA-N 2 1 364.578 3.059 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000269138115 496878620 /nfs/dbraw/zinc/87/86/20/496878620.db2.gz WPAASULJTMENKL-QGZVFWFLSA-N 2 1 373.476 3.254 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000269138115 496878622 /nfs/dbraw/zinc/87/86/22/496878622.db2.gz WPAASULJTMENKL-QGZVFWFLSA-N 2 1 373.476 3.254 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247549218 496885921 /nfs/dbraw/zinc/88/59/21/496885921.db2.gz PUANUEVKSYMWRN-VCOUNFBDSA-N 2 1 360.542 3.105 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247549218 496885926 /nfs/dbraw/zinc/88/59/26/496885926.db2.gz PUANUEVKSYMWRN-VCOUNFBDSA-N 2 1 360.542 3.105 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000580941374 505873537 /nfs/dbraw/zinc/87/35/37/505873537.db2.gz FMGZDZVAAYKUEU-QZTJIDSGSA-N 2 1 372.557 3.187 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141988 496962801 /nfs/dbraw/zinc/96/28/01/496962801.db2.gz YRNZPOOZNMKPDG-FDFHNCONSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141988 496962807 /nfs/dbraw/zinc/96/28/07/496962807.db2.gz YRNZPOOZNMKPDG-FDFHNCONSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H]1c1ccccc1 ZINC000248141988 496962813 /nfs/dbraw/zinc/96/28/13/496962813.db2.gz YRNZPOOZNMKPDG-FDFHNCONSA-N 2 1 363.505 3.213 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248177949 496968716 /nfs/dbraw/zinc/96/87/16/496968716.db2.gz VWRHHWWORKBIEA-IDPBPBMLSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248177949 496968718 /nfs/dbraw/zinc/96/87/18/496968718.db2.gz VWRHHWWORKBIEA-IDPBPBMLSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248177949 496968724 /nfs/dbraw/zinc/96/87/24/496968724.db2.gz VWRHHWWORKBIEA-IDPBPBMLSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248177949 496968727 /nfs/dbraw/zinc/96/87/27/496968727.db2.gz VWRHHWWORKBIEA-IDPBPBMLSA-N 2 1 357.542 3.231 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000248200198 496973234 /nfs/dbraw/zinc/97/32/34/496973234.db2.gz YKUAJWRSYRZHDQ-RBBKRZOGSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000248391588 496991977 /nfs/dbraw/zinc/99/19/77/496991977.db2.gz DHJMNRYDTIEDNC-NGRWLJPCSA-N 2 1 359.558 3.378 20 0 FGADMP CC(C)N(C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)C(C)C ZINC000248391588 496991984 /nfs/dbraw/zinc/99/19/84/496991984.db2.gz DHJMNRYDTIEDNC-NGRWLJPCSA-N 2 1 359.558 3.378 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000248400584 496997177 /nfs/dbraw/zinc/99/71/77/496997177.db2.gz QIOJYILPHGNKKX-MOJGAOKDSA-N 2 1 365.521 3.049 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NCc1ccccc1 ZINC000248400584 496997180 /nfs/dbraw/zinc/99/71/80/496997180.db2.gz QIOJYILPHGNKKX-MOJGAOKDSA-N 2 1 365.521 3.049 20 0 FGADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434333 497010848 /nfs/dbraw/zinc/01/08/48/497010848.db2.gz DUUCYDUOGRJBQX-MSOLQXFVSA-N 2 1 371.550 3.439 20 0 FGADMP COc1ccc(C)cc1[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248445406 497014064 /nfs/dbraw/zinc/01/40/64/497014064.db2.gz MKSAHVGGHYTLSY-YLJYHZDGSA-N 2 1 354.494 3.421 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000248539598 497034314 /nfs/dbraw/zinc/03/43/14/497034314.db2.gz AWSMYMWUEPEDNS-QZTJIDSGSA-N 2 1 366.933 3.338 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000248539598 497034317 /nfs/dbraw/zinc/03/43/17/497034317.db2.gz AWSMYMWUEPEDNS-QZTJIDSGSA-N 2 1 366.933 3.338 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248558604 497038239 /nfs/dbraw/zinc/03/82/39/497038239.db2.gz IXCVMVRLZQXSHP-FCEWJHQRSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248558604 497038246 /nfs/dbraw/zinc/03/82/46/497038246.db2.gz IXCVMVRLZQXSHP-FCEWJHQRSA-N 2 1 359.489 3.174 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248595995 497052365 /nfs/dbraw/zinc/05/23/65/497052365.db2.gz SUCFAERRMJAARH-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(C)ccc2Cl)C1 ZINC000248595995 497052370 /nfs/dbraw/zinc/05/23/70/497052370.db2.gz SUCFAERRMJAARH-IAGOWNOFSA-N 2 1 354.922 3.052 20 0 FGADMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000278315004 497072684 /nfs/dbraw/zinc/07/26/84/497072684.db2.gz DLWIIRBDGDQYCM-OALUTQOASA-N 2 1 350.478 3.082 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[C@H](C)C1 ZINC000248735003 497093128 /nfs/dbraw/zinc/09/31/28/497093128.db2.gz KPOSKXDUMGEBTJ-BVGQSLNGSA-N 2 1 367.896 3.247 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000192441075 497115472 /nfs/dbraw/zinc/11/54/72/497115472.db2.gz AWPQNVSQXJSJAZ-KLAILNCOSA-N 2 1 350.528 3.282 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000192441075 497115480 /nfs/dbraw/zinc/11/54/80/497115480.db2.gz AWPQNVSQXJSJAZ-KLAILNCOSA-N 2 1 350.528 3.282 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]C[C@H]2CCSC2)c1)C1CCOCC1 ZINC000278556939 497152937 /nfs/dbraw/zinc/15/29/37/497152937.db2.gz VULITYKVPJGXKY-GOSISDBHSA-N 2 1 364.555 3.019 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000236858476 497158475 /nfs/dbraw/zinc/15/84/75/497158475.db2.gz BSGMKNVCPKOFDE-ZDUSSCGKSA-N 2 1 368.319 3.240 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675566 497158864 /nfs/dbraw/zinc/15/88/64/497158864.db2.gz ZELVDOOGBPDTOJ-APWZRJJASA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675566 497158866 /nfs/dbraw/zinc/15/88/66/497158866.db2.gz ZELVDOOGBPDTOJ-APWZRJJASA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675566 497158868 /nfs/dbraw/zinc/15/88/68/497158868.db2.gz ZELVDOOGBPDTOJ-APWZRJJASA-N 2 1 370.497 3.297 20 0 FGADMP Cc1cc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)no1 ZINC000265675566 497158871 /nfs/dbraw/zinc/15/88/71/497158871.db2.gz ZELVDOOGBPDTOJ-APWZRJJASA-N 2 1 370.497 3.297 20 0 FGADMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000236870888 497160831 /nfs/dbraw/zinc/16/08/31/497160831.db2.gz UDMNNHDXYNILFA-BHYGNILZSA-N 2 1 371.447 3.332 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1CCOCC1 ZINC000249204626 497180097 /nfs/dbraw/zinc/18/00/97/497180097.db2.gz VKZQIVYWIPLPBM-PGRDOPGGSA-N 2 1 360.542 3.450 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237079546 497188661 /nfs/dbraw/zinc/18/86/61/497188661.db2.gz BPZGWIWCZUQAHB-HOCLYGCPSA-N 2 1 371.447 3.189 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000278692966 497191591 /nfs/dbraw/zinc/19/15/91/497191591.db2.gz SHPGLSGZMVYOLD-UHFFFAOYSA-N 2 1 366.553 3.152 20 0 FGADMP COc1ccc(Cl)cc1C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192715300 497193678 /nfs/dbraw/zinc/19/36/78/497193678.db2.gz OXTNAUXUJOQXNA-UHFFFAOYSA-N 2 1 353.938 3.197 20 0 FGADMP C[NH2+]CCCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237173966 497200515 /nfs/dbraw/zinc/20/05/15/497200515.db2.gz WYENJKFOSKOQHC-MAUKXSAKSA-N 2 1 371.447 3.204 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237179620 497201973 /nfs/dbraw/zinc/20/19/73/497201973.db2.gz JSGZEEGSDUGJJE-IRXDYDNUSA-N 2 1 367.493 3.268 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@@H]1c1cccs1 ZINC000237183315 497202203 /nfs/dbraw/zinc/20/22/03/497202203.db2.gz AXUIBBQJUFXXSI-CNMWIUBYSA-N 2 1 361.555 3.168 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(-n2cncn2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274961389 497206772 /nfs/dbraw/zinc/20/67/72/497206772.db2.gz WSGGYQVNTZRKAU-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP C[NH2+]CC(=O)NC[C@H](c1ccc(C(C)C)cc1)[N@H+]1CCc2sccc2C1 ZINC000237232956 497207984 /nfs/dbraw/zinc/20/79/84/497207984.db2.gz PGYWZLZKNKITTK-LJQANCHMSA-N 2 1 371.550 3.307 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000574968607 505893488 /nfs/dbraw/zinc/89/34/88/505893488.db2.gz CVSHWSLNFHKOQR-IRXDYDNUSA-N 2 1 366.575 3.305 20 0 FGADMP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192931193 497251189 /nfs/dbraw/zinc/25/11/89/497251189.db2.gz SJSCARXEKPUUJD-KRWDZBQOSA-N 2 1 355.448 3.125 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000237541331 497253631 /nfs/dbraw/zinc/25/36/31/497253631.db2.gz LPCAYGACEOZYSZ-DJXYKJKZSA-N 2 1 352.482 3.279 20 0 FGADMP C[C@@H](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000237559612 497256170 /nfs/dbraw/zinc/25/61/70/497256170.db2.gz XAIRAYXSWWRYGA-GHTZIAJQSA-N 2 1 353.510 3.493 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278907095 497262364 /nfs/dbraw/zinc/26/23/64/497262364.db2.gz PYRSWAYTWBXHGC-OAQYLSRUSA-N 2 1 353.510 3.393 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CC[NH2+]CC1 ZINC000237639958 497266559 /nfs/dbraw/zinc/26/65/59/497266559.db2.gz KICJVVBWNWPGPK-KURKYZTESA-N 2 1 373.541 3.260 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CC[NH2+]CC1 ZINC000237639958 497266564 /nfs/dbraw/zinc/26/65/64/497266564.db2.gz KICJVVBWNWPGPK-KURKYZTESA-N 2 1 373.541 3.260 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237640221 497267187 /nfs/dbraw/zinc/26/71/87/497267187.db2.gz VRQMQUDJRARZGJ-PNYFIKQUSA-N 2 1 373.541 3.260 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]C1 ZINC000237640221 497267193 /nfs/dbraw/zinc/26/71/93/497267193.db2.gz VRQMQUDJRARZGJ-PNYFIKQUSA-N 2 1 373.541 3.260 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CC[NH2+]CC1 ZINC000237640155 497267227 /nfs/dbraw/zinc/26/72/27/497267227.db2.gz KICJVVBWNWPGPK-OKZBNKHCSA-N 2 1 373.541 3.260 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)C1CC[NH2+]CC1 ZINC000237640155 497267234 /nfs/dbraw/zinc/26/72/34/497267234.db2.gz KICJVVBWNWPGPK-OKZBNKHCSA-N 2 1 373.541 3.260 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237651282 497269720 /nfs/dbraw/zinc/26/97/20/497269720.db2.gz RVTPSSBTLGXKGN-SJORKVTESA-N 2 1 363.571 3.102 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)[NH+](C)C)cc1 ZINC000251500810 497273622 /nfs/dbraw/zinc/27/36/22/497273622.db2.gz WEHOWYIRNVFVBS-UYAOXDASSA-N 2 1 360.546 3.161 20 0 FGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)c2C1 ZINC000278993633 497294823 /nfs/dbraw/zinc/29/48/23/497294823.db2.gz LHWFORZUPXGUKL-OAHLLOKOSA-N 2 1 367.497 3.101 20 0 FGADMP c1cn2c(n1)CC[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010223 497302757 /nfs/dbraw/zinc/30/27/57/497302757.db2.gz SUTQMPGNAUMPSO-XSDIEEQYSA-N 2 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000279010223 497302762 /nfs/dbraw/zinc/30/27/62/497302762.db2.gz SUTQMPGNAUMPSO-XSDIEEQYSA-N 3 1 350.510 3.231 20 0 FGADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000279010223 497302766 /nfs/dbraw/zinc/30/27/66/497302766.db2.gz SUTQMPGNAUMPSO-XSDIEEQYSA-N 3 1 350.510 3.231 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993354 497318588 /nfs/dbraw/zinc/31/85/88/497318588.db2.gz TYMHBKQFMPPDFV-MOPGFXCFSA-N 2 1 361.530 3.050 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(Br)cc21 ZINC000253355739 497326319 /nfs/dbraw/zinc/32/63/19/497326319.db2.gz GMZDLODJMRGRRC-FUHWJXTLSA-N 2 1 367.331 3.263 20 0 FGADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)cc1 ZINC000275539315 497357799 /nfs/dbraw/zinc/35/77/99/497357799.db2.gz ZVBQPPOILHYVTM-GOSISDBHSA-N 2 1 356.470 3.114 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)C[C@H](O)c2ccccc2)cc1 ZINC000271485105 497360597 /nfs/dbraw/zinc/36/05/97/497360597.db2.gz JPNSUTTZTCLLQE-AQKFKSFVSA-N 2 1 365.477 3.316 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C(C)=C\c3ccccc3)CC2)CC1 ZINC000255458299 497367361 /nfs/dbraw/zinc/36/73/61/497367361.db2.gz DHCXHQLXSRJWIX-JZJYNLBNSA-N 2 1 369.553 3.356 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cccnc2OC)CC1 ZINC000193495927 497396770 /nfs/dbraw/zinc/39/67/70/497396770.db2.gz UYJZHLRXVMEPDZ-INIZCTEOSA-N 2 1 372.488 3.222 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C1 ZINC000245440736 497407971 /nfs/dbraw/zinc/40/79/71/497407971.db2.gz UVKBTPXUUFWYMA-HZPDHXFCSA-N 2 1 367.484 3.148 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190237981 497409788 /nfs/dbraw/zinc/40/97/88/497409788.db2.gz PPMKYOQMAFYSJD-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000275709841 497410114 /nfs/dbraw/zinc/41/01/14/497410114.db2.gz UNOIDRIYRVZBHI-RXVVDRJESA-N 2 1 370.541 3.271 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261573461 497415697 /nfs/dbraw/zinc/41/56/97/497415697.db2.gz APSJUSOSTPLNCI-WMQCIHAUSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@H]1C[NH3+] ZINC000575021400 505906476 /nfs/dbraw/zinc/90/64/76/505906476.db2.gz CHXODYVNGLCXMF-IRXDYDNUSA-N 2 1 353.514 3.477 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000572170476 505906672 /nfs/dbraw/zinc/90/66/72/505906672.db2.gz SMLXDJSNYJPEFH-MOPGFXCFSA-N 2 1 359.539 3.378 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000261765766 497446340 /nfs/dbraw/zinc/44/63/40/497446340.db2.gz GFGYVOHUDXHGOV-KGLIPLIRSA-N 2 1 368.319 3.098 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896489 497471478 /nfs/dbraw/zinc/47/14/78/497471478.db2.gz WAUHOHJTQXLOCT-WOJBJXKFSA-N 2 1 357.523 3.015 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000245612338 497474191 /nfs/dbraw/zinc/47/41/91/497474191.db2.gz BXPHPYJJPGRYAX-MSOLQXFVSA-N 2 1 358.530 3.040 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261934857 497478650 /nfs/dbraw/zinc/47/86/50/497478650.db2.gz WQRJGLUOWDDLCU-FGSXEWAUSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)[C@H]([NH3+])c1ccccc1 ZINC000262004196 497491526 /nfs/dbraw/zinc/49/15/26/497491526.db2.gz QDOOMHQRJHEUNV-KYNGSXCRSA-N 2 1 357.885 3.149 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000262007411 497491702 /nfs/dbraw/zinc/49/17/02/497491702.db2.gz QKBCRTDMZJQESV-NRFANRHFSA-N 2 1 367.468 3.208 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000262009438 497491784 /nfs/dbraw/zinc/49/17/84/497491784.db2.gz HEIDLTCBXWMCRZ-QGZVFWFLSA-N 2 1 358.511 3.242 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000262009438 497491788 /nfs/dbraw/zinc/49/17/88/497491788.db2.gz HEIDLTCBXWMCRZ-QGZVFWFLSA-N 2 1 358.511 3.242 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000262014024 497492380 /nfs/dbraw/zinc/49/23/80/497492380.db2.gz WVNPDYXNOHOKMB-GFCCVEGCSA-N 2 1 365.275 3.060 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000245677815 497498537 /nfs/dbraw/zinc/49/85/37/497498537.db2.gz UIOYKBPIZUYEPD-HLAWJBBLSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000245677815 497498541 /nfs/dbraw/zinc/49/85/41/497498541.db2.gz UIOYKBPIZUYEPD-HLAWJBBLSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000245677815 497498546 /nfs/dbraw/zinc/49/85/46/497498546.db2.gz UIOYKBPIZUYEPD-HLAWJBBLSA-N 2 1 372.557 3.243 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000262048370 497498926 /nfs/dbraw/zinc/49/89/26/497498926.db2.gz PZZXCTNMHLCGIX-KRWDZBQOSA-N 2 1 358.404 3.212 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000262048370 497498929 /nfs/dbraw/zinc/49/89/29/497498929.db2.gz PZZXCTNMHLCGIX-KRWDZBQOSA-N 2 1 358.404 3.212 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000262088580 497506343 /nfs/dbraw/zinc/50/63/43/497506343.db2.gz CDXRCRYCTMQLJI-DYESRHJHSA-N 2 1 351.494 3.235 20 0 FGADMP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1Cc1ccc(F)cc1F ZINC000276185486 497515670 /nfs/dbraw/zinc/51/56/70/497515670.db2.gz HIPMJSKCDLZJFW-SFHVURJKSA-N 2 1 374.435 3.059 20 0 FGADMP Clc1ccc(OC2CCCC2)c(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262166776 497519309 /nfs/dbraw/zinc/51/93/09/497519309.db2.gz UGVYQNQKFKBRDJ-GOSISDBHSA-N 2 1 363.933 3.141 20 0 FGADMP Clc1ccc(OC2CCCC2)c(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262166776 497519315 /nfs/dbraw/zinc/51/93/15/497519315.db2.gz UGVYQNQKFKBRDJ-GOSISDBHSA-N 2 1 363.933 3.141 20 0 FGADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262181332 497521285 /nfs/dbraw/zinc/52/12/85/497521285.db2.gz IRSUSEBMMQVUNX-QWQRMKEZSA-N 2 1 367.896 3.120 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262231831 497526538 /nfs/dbraw/zinc/52/65/38/497526538.db2.gz GXECRVLYAWGMDS-WPJATSFPSA-N 2 1 369.553 3.167 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000262236934 497527987 /nfs/dbraw/zinc/52/79/87/497527987.db2.gz OQOPDPURJWHSPL-NVXWUHKLSA-N 2 1 363.571 3.126 20 0 FGADMP Ic1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262289956 497535533 /nfs/dbraw/zinc/53/55/33/497535533.db2.gz VXECSVOCUMKZGZ-INIZCTEOSA-N 2 1 370.278 3.428 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNc3cc[nH+]cc3Cl)c2)C1 ZINC000267426302 497549816 /nfs/dbraw/zinc/54/98/16/497549816.db2.gz VNSKWIJVHGDLIF-INIZCTEOSA-N 2 1 358.873 3.044 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3cc[nH+]cc3Cl)c2)C1 ZINC000267426302 497549820 /nfs/dbraw/zinc/54/98/20/497549820.db2.gz VNSKWIJVHGDLIF-INIZCTEOSA-N 2 1 358.873 3.044 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942564 497579720 /nfs/dbraw/zinc/57/97/20/497579720.db2.gz BACAGMKTPCRLNG-ZBFHGGJFSA-N 2 1 364.921 3.114 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000245958922 497584703 /nfs/dbraw/zinc/58/47/03/497584703.db2.gz CKOJVFYYOMUIFO-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262626376 497586628 /nfs/dbraw/zinc/58/66/28/497586628.db2.gz BVDUDOGCLOJXCP-VSKRKVRLSA-N 2 1 369.553 3.278 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262696626 497601612 /nfs/dbraw/zinc/60/16/12/497601612.db2.gz DXRLLCVPIVMFQC-QBIMZIAESA-N 2 1 355.885 3.106 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272463093 497634280 /nfs/dbraw/zinc/63/42/80/497634280.db2.gz KPEAEMZLYSJHTE-UTKZUKDTSA-N 2 1 351.494 3.046 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000246181294 497650524 /nfs/dbraw/zinc/65/05/24/497650524.db2.gz CFEWUFIQGMMIMZ-KSEOMHKRSA-N 2 1 371.569 3.383 20 0 FGADMP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2nccn2-c2ccccc2)cc1 ZINC000190948164 497657612 /nfs/dbraw/zinc/65/76/12/497657612.db2.gz QJYZROUXENXVBA-UHFFFAOYSA-N 2 1 364.493 3.493 20 0 FGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246276314 497680772 /nfs/dbraw/zinc/68/07/72/497680772.db2.gz APPXOQGJMIAHQW-YRNRMSPPSA-N 2 1 359.489 3.410 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2sccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000268224078 497705025 /nfs/dbraw/zinc/70/50/25/497705025.db2.gz QZECDHRFPNVMJN-MAUKXSAKSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000268224078 497705032 /nfs/dbraw/zinc/70/50/32/497705032.db2.gz QZECDHRFPNVMJN-MAUKXSAKSA-N 2 1 357.523 3.203 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246500703 497754627 /nfs/dbraw/zinc/75/46/27/497754627.db2.gz SPKRYGBVDSHYIV-GHTZIAJQSA-N 2 1 374.573 3.400 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000194746718 497757665 /nfs/dbraw/zinc/75/76/65/497757665.db2.gz HPGAEHUCSJQMEI-HXUWFJFHSA-N 2 1 351.494 3.000 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)[C@H](C)C1 ZINC000246522007 497762803 /nfs/dbraw/zinc/76/28/03/497762803.db2.gz URFLCNSNSZFDFA-MDYRTPRTSA-N 2 1 373.545 3.134 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)[C@H](C)C1 ZINC000246522007 497762809 /nfs/dbraw/zinc/76/28/09/497762809.db2.gz URFLCNSNSZFDFA-MDYRTPRTSA-N 2 1 373.545 3.134 20 0 FGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000268519619 497771099 /nfs/dbraw/zinc/77/10/99/497771099.db2.gz FKPLOFREZGGLKK-KRWDZBQOSA-N 2 1 362.514 3.421 20 0 FGADMP COc1cccc(OC)c1OC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000268519619 497771106 /nfs/dbraw/zinc/77/11/06/497771106.db2.gz FKPLOFREZGGLKK-KRWDZBQOSA-N 2 1 362.514 3.421 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(Br)o3)CC2)nc(C)[nH+]1 ZINC000191292397 497771771 /nfs/dbraw/zinc/77/17/71/497771771.db2.gz OMMJDUXSGRGLIQ-UHFFFAOYSA-N 2 1 365.275 3.208 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246564799 497775096 /nfs/dbraw/zinc/77/50/96/497775096.db2.gz NNRBNAKINACESG-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246564799 497775103 /nfs/dbraw/zinc/77/51/03/497775103.db2.gz NNRBNAKINACESG-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246564799 497775107 /nfs/dbraw/zinc/77/51/07/497775107.db2.gz NNRBNAKINACESG-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246564790 497775283 /nfs/dbraw/zinc/77/52/83/497775283.db2.gz NNRBNAKINACESG-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246564790 497775288 /nfs/dbraw/zinc/77/52/88/497775288.db2.gz NNRBNAKINACESG-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246564790 497775295 /nfs/dbraw/zinc/77/52/95/497775295.db2.gz NNRBNAKINACESG-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCN(c3cccnn3)CC2)cc1 ZINC000277226811 497781968 /nfs/dbraw/zinc/78/19/68/497781968.db2.gz YKFOSLFLWJXZHA-INIZCTEOSA-N 2 1 362.481 3.290 20 0 FGADMP CN(C(=O)NC1CCCCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000246591360 497783734 /nfs/dbraw/zinc/78/37/34/497783734.db2.gz MMCPTCSLEOFBJB-WOJBJXKFSA-N 2 1 364.578 3.298 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CCN(c2ccccn2)CC1 ZINC000364228106 497849166 /nfs/dbraw/zinc/84/91/66/497849166.db2.gz YHWTVTKCPUMSMH-AZUAARDMSA-N 2 1 370.541 3.163 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000292058440 497859878 /nfs/dbraw/zinc/85/98/78/497859878.db2.gz JXAGBKOJJRCGTM-YJBOKZPZSA-N 2 1 371.447 3.075 20 0 FGADMP O[C@@H](C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)CC(F)(F)F ZINC000364267609 497870055 /nfs/dbraw/zinc/87/00/55/497870055.db2.gz JFYMGIHJQNXRBX-QGZVFWFLSA-N 2 1 356.432 3.288 20 0 FGADMP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000578439456 505939992 /nfs/dbraw/zinc/93/99/92/505939992.db2.gz BKXZTYCUQPISOZ-CQSZACIVSA-N 2 1 371.447 3.174 20 0 FGADMP COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc([C@@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360914 505950254 /nfs/dbraw/zinc/95/02/54/505950254.db2.gz QWARBZLADXEMST-UTKZUKDTSA-N 2 1 369.509 3.146 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000572364195 505950929 /nfs/dbraw/zinc/95/09/29/505950929.db2.gz XSBRNJCXXUGVJZ-LEWJYISDSA-N 3 1 370.585 3.040 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1OCC1CC1 ZINC000569507700 505951292 /nfs/dbraw/zinc/95/12/92/505951292.db2.gz HFDULHOWXGBQRD-UHFFFAOYSA-N 2 1 365.949 3.198 20 0 FGADMP Cc1sc2nc(CN3CCCC3)nc(NC[C@@H]3CCC[N@@H+]3C)c2c1C ZINC000301090137 497946964 /nfs/dbraw/zinc/94/69/64/497946964.db2.gz FJUBIEUTXKUJQL-HNNXBMFYSA-N 2 1 359.543 3.410 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H]3CCC[N@@H+]3C)c2c1C ZINC000301090137 497946976 /nfs/dbraw/zinc/94/69/76/497946976.db2.gz FJUBIEUTXKUJQL-HNNXBMFYSA-N 2 1 359.543 3.410 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1Cl ZINC000572374079 505953641 /nfs/dbraw/zinc/95/36/41/505953641.db2.gz MIDGIFZPVKTELP-DJIMGWMZSA-N 2 1 370.946 3.144 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449200 497963084 /nfs/dbraw/zinc/96/30/84/497963084.db2.gz RUJDDUVUXPVJKF-QXAKKESOSA-N 2 1 354.498 3.277 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)CC[NH+]3CCCC3)c2c1C ZINC000301182363 497988271 /nfs/dbraw/zinc/98/82/71/497988271.db2.gz IFMVHIGPMFLITM-UHFFFAOYSA-N 2 1 373.570 3.436 20 0 FGADMP CCN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CC(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578521035 505960191 /nfs/dbraw/zinc/96/01/91/505960191.db2.gz KNGKEJLTQIFMKP-BVGQSLNGSA-N 2 1 367.896 3.071 20 0 FGADMP CC[N@H+]1CCc2c(cccc2NCc2ccc(N(C)CCOC)nc2)C1 ZINC000364515346 497996538 /nfs/dbraw/zinc/99/65/38/497996538.db2.gz VZFZPVFXKDSOJF-UHFFFAOYSA-N 2 1 354.498 3.154 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000569559362 505964738 /nfs/dbraw/zinc/96/47/38/505964738.db2.gz FUJNVBFEQCMQJH-CEWLAPEOSA-N 2 1 366.509 3.266 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000569559362 505964741 /nfs/dbraw/zinc/96/47/41/505964741.db2.gz FUJNVBFEQCMQJH-CEWLAPEOSA-N 2 1 366.509 3.266 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)CC1 ZINC000575342948 505965227 /nfs/dbraw/zinc/96/52/27/505965227.db2.gz ZELCPNBDAYLUOR-JSRAGOMMSA-N 2 1 355.526 3.173 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CC1 ZINC000575342949 505965538 /nfs/dbraw/zinc/96/55/38/505965538.db2.gz ZELCPNBDAYLUOR-NSKBAKJYSA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CCC3(CCC[N@@H+]3C)CC2)cc[nH+]1 ZINC000330112680 498025948 /nfs/dbraw/zinc/02/59/48/498025948.db2.gz CEUQHCFCKNSVSW-IEBWSBKVSA-N 2 1 373.545 3.157 20 0 FGADMP CC(C)[C@H]1OCCC[C@H]1Nc1nc(N2CCC3(CCC[N@H+]3C)CC2)cc[nH+]1 ZINC000330112680 498025951 /nfs/dbraw/zinc/02/59/51/498025951.db2.gz CEUQHCFCKNSVSW-IEBWSBKVSA-N 2 1 373.545 3.157 20 0 FGADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000364643539 498064951 /nfs/dbraw/zinc/06/49/51/498064951.db2.gz GELXJTUGXIYPRM-IRXDYDNUSA-N 2 1 361.555 3.360 20 0 FGADMP COCCOCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262369 498083505 /nfs/dbraw/zinc/08/35/05/498083505.db2.gz MUPIFWMUHCXNFB-IFMALSPDSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262369 498083513 /nfs/dbraw/zinc/08/35/13/498083513.db2.gz MUPIFWMUHCXNFB-IFMALSPDSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262369 498083524 /nfs/dbraw/zinc/08/35/24/498083524.db2.gz MUPIFWMUHCXNFB-IFMALSPDSA-N 2 1 358.526 3.298 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699551 498097352 /nfs/dbraw/zinc/09/73/52/498097352.db2.gz TZGFXXAWXQOWHF-PVSGBFIBSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000364699551 498097356 /nfs/dbraw/zinc/09/73/56/498097356.db2.gz TZGFXXAWXQOWHF-PVSGBFIBSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699551 498097360 /nfs/dbraw/zinc/09/73/60/498097360.db2.gz TZGFXXAWXQOWHF-PVSGBFIBSA-N 2 1 364.537 3.500 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)C1 ZINC000364699551 498097364 /nfs/dbraw/zinc/09/73/64/498097364.db2.gz TZGFXXAWXQOWHF-PVSGBFIBSA-N 2 1 364.537 3.500 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cccc(Cl)c1 ZINC000581399596 505978973 /nfs/dbraw/zinc/97/89/73/505978973.db2.gz WIYCQOBVEANQGY-GOSISDBHSA-N 2 1 363.889 3.153 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000364771601 498135000 /nfs/dbraw/zinc/13/50/00/498135000.db2.gz OWNLDNZMKNURDJ-PZJWPPBQSA-N 2 1 374.573 3.310 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000572505234 505985603 /nfs/dbraw/zinc/98/56/03/505985603.db2.gz ZGZLCJXXXVGIIP-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824773 498160866 /nfs/dbraw/zinc/16/08/66/498160866.db2.gz QLAXJAOKWULTPG-SFHVURJKSA-N 2 1 363.299 3.253 20 0 FGADMP C[N@@H+]1CC[C@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824773 498160872 /nfs/dbraw/zinc/16/08/72/498160872.db2.gz QLAXJAOKWULTPG-SFHVURJKSA-N 2 1 363.299 3.253 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824773 498160874 /nfs/dbraw/zinc/16/08/74/498160874.db2.gz QLAXJAOKWULTPG-SFHVURJKSA-N 2 1 363.299 3.253 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824773 498160879 /nfs/dbraw/zinc/16/08/79/498160879.db2.gz QLAXJAOKWULTPG-SFHVURJKSA-N 2 1 363.299 3.253 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824773 498160882 /nfs/dbraw/zinc/16/08/82/498160882.db2.gz QLAXJAOKWULTPG-SFHVURJKSA-N 2 1 363.299 3.253 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cccc(Cl)c1 ZINC000364852681 498174445 /nfs/dbraw/zinc/17/44/45/498174445.db2.gz WAHMINZNKONXJQ-PSBWJHGTSA-N 2 1 363.933 3.357 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532548 505991195 /nfs/dbraw/zinc/99/11/95/505991195.db2.gz UCOVTUZURLPQQY-FGTMMUONSA-N 2 1 371.525 3.302 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cccc(Cl)c1 ZINC000364852680 498174840 /nfs/dbraw/zinc/17/48/40/498174840.db2.gz WAHMINZNKONXJQ-FPAYPSAMSA-N 2 1 363.933 3.357 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000572532548 505991197 /nfs/dbraw/zinc/99/11/97/505991197.db2.gz UCOVTUZURLPQQY-FGTMMUONSA-N 2 1 371.525 3.302 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(Cc4ccccc4)CC3)CC2)CC1 ZINC000575760357 505997891 /nfs/dbraw/zinc/99/78/91/505997891.db2.gz LXHCYCDSNJKMMM-UHFFFAOYSA-N 2 1 369.553 3.074 20 0 FGADMP Cc1[nH+]c(CNC2CC[NH+](CCc3ccccc3)CC2)c2n1CCCC2 ZINC000360063106 498242964 /nfs/dbraw/zinc/24/29/64/498242964.db2.gz XRXHQANSOHUYRX-UHFFFAOYSA-N 2 1 352.526 3.325 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccco1 ZINC000575777143 506002913 /nfs/dbraw/zinc/00/29/13/506002913.db2.gz NOBIQTUSAVRAKL-IHPCNDPISA-N 2 1 369.509 3.490 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289686333 498247580 /nfs/dbraw/zinc/24/75/80/498247580.db2.gz ZXRYZPIIIXMHTM-KDXIVRHGSA-N 2 1 351.494 3.412 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)cc1 ZINC000296966948 498270163 /nfs/dbraw/zinc/27/01/63/498270163.db2.gz IHGCKVMUIPQUMF-OTYNDTSQSA-N 2 1 370.541 3.056 20 0 FGADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)cc(OC)c1OCC(F)F ZINC000289736681 498270764 /nfs/dbraw/zinc/27/07/64/498270764.db2.gz MZNHIBBAASMROM-UHFFFAOYSA-N 2 1 369.412 3.033 20 0 FGADMP NC(=O)c1csc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000289758343 498280909 /nfs/dbraw/zinc/28/09/09/498280909.db2.gz ITKYMEZANIJTJO-QGZVFWFLSA-N 2 1 357.523 3.239 20 0 FGADMP NC(=O)c1csc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000289758343 498280914 /nfs/dbraw/zinc/28/09/14/498280914.db2.gz ITKYMEZANIJTJO-QGZVFWFLSA-N 2 1 357.523 3.239 20 0 FGADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578745252 506011302 /nfs/dbraw/zinc/01/13/02/506011302.db2.gz LSRGCDKXTLJGSH-WFASDCNBSA-N 2 1 370.324 3.072 20 0 FGADMP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365204409 498350386 /nfs/dbraw/zinc/35/03/86/498350386.db2.gz QGVUVHCIPMVWSW-RXVVDRJESA-N 2 1 358.526 3.420 20 0 FGADMP CC(C)c1nccn1CCC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000361187856 498357692 /nfs/dbraw/zinc/35/76/92/498357692.db2.gz BJJAVZBLODZCCT-MJGOQNOKSA-N 2 1 358.461 3.097 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2ccccc2c1 ZINC000569811163 506021616 /nfs/dbraw/zinc/02/16/16/506021616.db2.gz NUVDQCDXAHRXCR-XQTRSNPVSA-N 2 1 365.521 3.337 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000361366411 498379914 /nfs/dbraw/zinc/37/99/14/498379914.db2.gz SCKDLGANLNNGSJ-HXUWFJFHSA-N 2 1 372.944 3.490 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cc(Cl)cc4cccnc43)C2)CC1 ZINC000361366411 498379920 /nfs/dbraw/zinc/37/99/20/498379920.db2.gz SCKDLGANLNNGSJ-HXUWFJFHSA-N 2 1 372.944 3.490 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885421 506025706 /nfs/dbraw/zinc/02/57/06/506025706.db2.gz NRZDQFBKKIODQE-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575885421 506025708 /nfs/dbraw/zinc/02/57/08/506025708.db2.gz NRZDQFBKKIODQE-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575885421 506025712 /nfs/dbraw/zinc/02/57/12/506025712.db2.gz NRZDQFBKKIODQE-FPOVZHCZSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(C[NH3+])cc2)cc1F ZINC000361729871 498423004 /nfs/dbraw/zinc/42/30/04/498423004.db2.gz VFFWPPXWBGUFQU-ZDUSSCGKSA-N 2 1 352.413 3.270 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C[C@H](C)O1 ZINC000282252002 498438862 /nfs/dbraw/zinc/43/88/62/498438862.db2.gz MWPXVQUEFMDTKQ-IYBDPMFKSA-N 2 1 362.543 3.128 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572718611 506035690 /nfs/dbraw/zinc/03/56/90/506035690.db2.gz MOCCKQHQUMEGDD-IGNZVWTISA-N 2 1 367.896 3.260 20 0 FGADMP C[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000293721653 498466013 /nfs/dbraw/zinc/46/60/13/498466013.db2.gz POIZATHJIJIXNB-MRXNPFEDSA-N 2 1 369.509 3.441 20 0 FGADMP Cc1cc([C@@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)oc1C ZINC000282390667 498491249 /nfs/dbraw/zinc/49/12/49/498491249.db2.gz XLBITBNXJZNUQI-OXQOHEQNSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)oc1C ZINC000282390667 498491259 /nfs/dbraw/zinc/49/12/59/498491259.db2.gz XLBITBNXJZNUQI-OXQOHEQNSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)oc1C ZINC000282390667 498491266 /nfs/dbraw/zinc/49/12/66/498491266.db2.gz XLBITBNXJZNUQI-OXQOHEQNSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1ccc2c(C[N@@H+](C)C3CC[NH+](C4CCOCC4)CC3)cc(=O)oc2c1 ZINC000362424280 498514657 /nfs/dbraw/zinc/51/46/57/498514657.db2.gz HLLOPLNZMYJTIE-UHFFFAOYSA-N 2 1 370.493 3.177 20 0 FGADMP Cc1ccc2c(C[N@H+](C)C3CC[NH+](C4CCOCC4)CC3)cc(=O)oc2c1 ZINC000362424280 498514662 /nfs/dbraw/zinc/51/46/62/498514662.db2.gz HLLOPLNZMYJTIE-UHFFFAOYSA-N 2 1 370.493 3.177 20 0 FGADMP CCOc1cc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)ccc1O ZINC000297632735 498517909 /nfs/dbraw/zinc/51/79/09/498517909.db2.gz HVUCYAZTSZWDEH-UHFFFAOYSA-N 2 1 369.509 3.325 20 0 FGADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000569921667 506047879 /nfs/dbraw/zinc/04/78/79/506047879.db2.gz AYAQMDBOFAFWSP-RTBURBONSA-N 2 1 354.498 3.265 20 0 FGADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccccc1 ZINC000575982684 506048378 /nfs/dbraw/zinc/04/83/78/506048378.db2.gz WTPHULGTZYKEEA-CIAFKFPVSA-N 2 1 366.505 3.212 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999514 506052624 /nfs/dbraw/zinc/05/26/24/506052624.db2.gz ILMJSJFFATYUDV-INIZCTEOSA-N 2 1 369.444 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999514 506052630 /nfs/dbraw/zinc/05/26/30/506052630.db2.gz ILMJSJFFATYUDV-INIZCTEOSA-N 2 1 369.444 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999514 506052634 /nfs/dbraw/zinc/05/26/34/506052634.db2.gz ILMJSJFFATYUDV-INIZCTEOSA-N 2 1 369.444 3.421 20 0 FGADMP C[C@@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032390 506060621 /nfs/dbraw/zinc/06/06/21/506060621.db2.gz JRXRXFJVAAPRGO-QWFCFKBJSA-N 2 1 355.530 3.292 20 0 FGADMP COc1c(C)cnc(CN2CCC([N@@H+](C)Cc3ccn(C)c3)CC2)c1C ZINC000290571969 498603864 /nfs/dbraw/zinc/60/38/64/498603864.db2.gz TWSUGJUIXYVFBP-UHFFFAOYSA-N 2 1 356.514 3.142 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3ccn(C)c3)CC2)c1C ZINC000290571969 498603867 /nfs/dbraw/zinc/60/38/67/498603867.db2.gz TWSUGJUIXYVFBP-UHFFFAOYSA-N 2 1 356.514 3.142 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3ccn(C)c3)CC2)c1C ZINC000290571969 498603875 /nfs/dbraw/zinc/60/38/75/498603875.db2.gz TWSUGJUIXYVFBP-UHFFFAOYSA-N 2 1 356.514 3.142 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C3=CCCC3)CC2)CC1 ZINC000569987365 506063326 /nfs/dbraw/zinc/06/33/26/506063326.db2.gz XYILKTZKHWNILV-UHFFFAOYSA-N 2 1 361.574 3.435 20 0 FGADMP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303215070 498656120 /nfs/dbraw/zinc/65/61/20/498656120.db2.gz SUIXJASQCQQRJC-UYAOXDASSA-N 2 1 364.505 3.153 20 0 FGADMP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303215070 498656124 /nfs/dbraw/zinc/65/61/24/498656124.db2.gz SUIXJASQCQQRJC-UYAOXDASSA-N 2 1 364.505 3.153 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363139712 498670226 /nfs/dbraw/zinc/67/02/26/498670226.db2.gz WANCZSGNVGVJFJ-MSOLQXFVSA-N 2 1 359.539 3.048 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000363139712 498670234 /nfs/dbraw/zinc/67/02/34/498670234.db2.gz WANCZSGNVGVJFJ-MSOLQXFVSA-N 2 1 359.539 3.048 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303462661 498678437 /nfs/dbraw/zinc/67/84/37/498678437.db2.gz LVIDNEIKQBCBCA-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303503211 498682818 /nfs/dbraw/zinc/68/28/18/498682818.db2.gz VJTWWJKDKCWUQV-ZCNNSNEGSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303503211 498682825 /nfs/dbraw/zinc/68/28/25/498682825.db2.gz VJTWWJKDKCWUQV-ZCNNSNEGSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303503211 498682828 /nfs/dbraw/zinc/68/28/28/498682828.db2.gz VJTWWJKDKCWUQV-ZCNNSNEGSA-N 2 1 374.573 3.174 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879668 498684977 /nfs/dbraw/zinc/68/49/77/498684977.db2.gz KIPWNAQXKCNVJI-VXKWHMMOSA-N 2 1 369.553 3.374 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000298229984 498703516 /nfs/dbraw/zinc/70/35/16/498703516.db2.gz BFUBMLICPANVRP-UHFFFAOYSA-N 3 1 370.585 3.114 20 0 FGADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000576115350 506081087 /nfs/dbraw/zinc/08/10/87/506081087.db2.gz VUWJNAAZYWTILB-FQEVSTJZSA-N 2 1 369.509 3.310 20 0 FGADMP Cc1noc(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000576115350 506081092 /nfs/dbraw/zinc/08/10/92/506081092.db2.gz VUWJNAAZYWTILB-FQEVSTJZSA-N 2 1 369.509 3.310 20 0 FGADMP FC(F)Cn1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000294641020 498758457 /nfs/dbraw/zinc/75/84/57/498758457.db2.gz KGINUYIMEQVUML-FQEVSTJZSA-N 2 1 360.452 3.246 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3cn4cccnc4n3)cc2)CC1 ZINC000298465971 498780156 /nfs/dbraw/zinc/78/01/56/498780156.db2.gz OOTZIKGYUZFMQJ-UHFFFAOYSA-N 2 1 364.497 3.119 20 0 FGADMP CCOc1c(Br)cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000316807041 498788795 /nfs/dbraw/zinc/78/87/95/498788795.db2.gz PMFVNNJVICRHNA-OCCSQVGLSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1OC ZINC000316807041 498788799 /nfs/dbraw/zinc/78/87/99/498788799.db2.gz PMFVNNJVICRHNA-OCCSQVGLSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000316807041 498788804 /nfs/dbraw/zinc/78/88/04/498788804.db2.gz PMFVNNJVICRHNA-OCCSQVGLSA-N 2 1 371.319 3.429 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000316807041 498788809 /nfs/dbraw/zinc/78/88/09/498788809.db2.gz PMFVNNJVICRHNA-OCCSQVGLSA-N 2 1 371.319 3.429 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366149012 498798299 /nfs/dbraw/zinc/79/82/99/498798299.db2.gz WAVYGFYYDCITKC-IXDOHACOSA-N 2 1 362.518 3.071 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283161792 498803279 /nfs/dbraw/zinc/80/32/79/498803279.db2.gz IQUMQQPIBBAERP-VXSCBNMQSA-N 2 1 372.553 3.054 20 0 FGADMP Brc1cc(Br)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000572974146 506093527 /nfs/dbraw/zinc/09/35/27/506093527.db2.gz MZBYLLKQCSFTJK-UHFFFAOYSA-N 2 1 362.109 3.397 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618747 498816263 /nfs/dbraw/zinc/81/62/63/498816263.db2.gz JRJIIYSERAWAJR-OPYAIIAOSA-N 2 1 371.529 3.055 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)[C@H](C)C1 ZINC000287618743 498816416 /nfs/dbraw/zinc/81/64/16/498816416.db2.gz JRJIIYSERAWAJR-LQWHRVPQSA-N 2 1 371.529 3.055 20 0 FGADMP COC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(Cl)c1F ZINC000287664643 498830244 /nfs/dbraw/zinc/83/02/44/498830244.db2.gz LWHQXRZNCFAGJP-QZTJIDSGSA-N 2 1 371.928 3.028 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000366247249 498838921 /nfs/dbraw/zinc/83/89/21/498838921.db2.gz GBKOVBFRVQWVNY-OAHLLOKOSA-N 2 1 356.861 3.034 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]Cc2cnccc2OC)CC1 ZINC000287763472 498857837 /nfs/dbraw/zinc/85/78/37/498857837.db2.gz MIUVDEGAFXDTMG-INIZCTEOSA-N 2 1 372.488 3.222 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000579137786 506102413 /nfs/dbraw/zinc/10/24/13/506102413.db2.gz IUCOPPRVXDWQQE-OAHLLOKOSA-N 2 1 350.260 3.229 20 0 FGADMP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1cccs1 ZINC000366295085 498863143 /nfs/dbraw/zinc/86/31/43/498863143.db2.gz JCDLAXLRXZZXIA-QGZVFWFLSA-N 2 1 361.559 3.173 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581944286 506095990 /nfs/dbraw/zinc/09/59/90/506095990.db2.gz BEMYCGZYFIXXSF-PCCBWWKXSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129310 498908483 /nfs/dbraw/zinc/90/84/83/498908483.db2.gz JJSOIEUPVDYPQE-HZPDHXFCSA-N 2 1 354.498 3.121 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000328705380 498908535 /nfs/dbraw/zinc/90/85/35/498908535.db2.gz PFJVJFIXSXGJFV-GGPKGHCWSA-N 2 1 373.545 3.014 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]Cc3ccc(F)c(F)c3)CC2)CC1 ZINC000363660640 498929172 /nfs/dbraw/zinc/92/91/72/498929172.db2.gz GMAXOTJEFNZAQN-UHFFFAOYSA-N 3 1 351.485 3.251 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532917 498967813 /nfs/dbraw/zinc/96/78/13/498967813.db2.gz GCRILSJTDRJVIX-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532917 498967817 /nfs/dbraw/zinc/96/78/17/498967817.db2.gz GCRILSJTDRJVIX-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](CC[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000366532917 498967821 /nfs/dbraw/zinc/96/78/21/498967821.db2.gz GCRILSJTDRJVIX-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000299232243 499000897 /nfs/dbraw/zinc/00/08/97/499000897.db2.gz HVVXDKXHHLMAHI-QGZVFWFLSA-N 2 1 354.498 3.244 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364957 499037710 /nfs/dbraw/zinc/03/77/10/499037710.db2.gz PWKJRDRFVIRWIZ-XLIONFOSSA-N 2 1 371.550 3.207 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364957 499037720 /nfs/dbraw/zinc/03/77/20/499037720.db2.gz PWKJRDRFVIRWIZ-XLIONFOSSA-N 2 1 371.550 3.207 20 0 FGADMP Cc1nn(C)c(Cl)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284090184 499047026 /nfs/dbraw/zinc/04/70/26/499047026.db2.gz RNNCWWXNVNTXQF-UHFFFAOYSA-N 2 1 362.905 3.145 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000579254404 506129899 /nfs/dbraw/zinc/12/98/99/506129899.db2.gz IRXIFDQKMMWMRS-GOSISDBHSA-N 2 1 351.922 3.274 20 0 FGADMP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2cccs2)cn2cc[nH+]c12 ZINC000576321172 506129913 /nfs/dbraw/zinc/12/99/13/506129913.db2.gz QAJDDSWWBIGMHL-UHFFFAOYSA-N 2 1 357.483 3.300 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)c2)CCO1 ZINC000284424821 499105576 /nfs/dbraw/zinc/10/55/76/499105576.db2.gz RNBLDQPJLAYFJY-KRWDZBQOSA-N 2 1 368.525 3.285 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)CC1 ZINC000366943109 499119564 /nfs/dbraw/zinc/11/95/64/499119564.db2.gz JMBMRURMROHAEI-IRIHCNEDSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000369871829 499142535 /nfs/dbraw/zinc/14/25/35/499142535.db2.gz JLHUIVJAXMSZCW-PXNSSMCTSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201260 499160327 /nfs/dbraw/zinc/16/03/27/499160327.db2.gz RWEKGLMYVWNJJM-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201260 499160329 /nfs/dbraw/zinc/16/03/29/499160329.db2.gz RWEKGLMYVWNJJM-AWEZNQCLSA-N 2 1 351.441 3.100 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)N2CCC(c3cnc[nH]3)CC2)[NH+](C)C)cc1 ZINC000372685091 499160814 /nfs/dbraw/zinc/16/08/14/499160814.db2.gz NNFGACFKMBCECG-HXUWFJFHSA-N 2 1 369.513 3.164 20 0 FGADMP COCCCn1nccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000367222479 499163923 /nfs/dbraw/zinc/16/39/23/499163923.db2.gz AWIGTKSIYPDXAF-OAQYLSRUSA-N 2 1 370.541 3.310 20 0 FGADMP COCCCn1nccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000367222479 499163925 /nfs/dbraw/zinc/16/39/25/499163925.db2.gz AWIGTKSIYPDXAF-OAQYLSRUSA-N 2 1 370.541 3.310 20 0 FGADMP CO[C@H](C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283948 499173653 /nfs/dbraw/zinc/17/36/53/499173653.db2.gz BKZFZDYLHSCZQB-VQTJNVASSA-N 2 1 365.949 3.129 20 0 FGADMP CO[C@H](C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367283948 499173655 /nfs/dbraw/zinc/17/36/55/499173655.db2.gz BKZFZDYLHSCZQB-VQTJNVASSA-N 2 1 365.949 3.129 20 0 FGADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379862 499191792 /nfs/dbraw/zinc/19/17/92/499191792.db2.gz NIYCUHSDUIWPIZ-HXUWFJFHSA-N 2 1 358.530 3.347 20 0 FGADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379862 499191795 /nfs/dbraw/zinc/19/17/95/499191795.db2.gz NIYCUHSDUIWPIZ-HXUWFJFHSA-N 2 1 358.530 3.347 20 0 FGADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1CCN(C(=O)Nc2ccccc2)CC1 ZINC000367379862 499191798 /nfs/dbraw/zinc/19/17/98/499191798.db2.gz NIYCUHSDUIWPIZ-HXUWFJFHSA-N 2 1 358.530 3.347 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H]2CCC[C@@H]21 ZINC000367610071 499217050 /nfs/dbraw/zinc/21/70/50/499217050.db2.gz ZXMGIMBIDNWAHJ-HKBOAZHASA-N 2 1 367.493 3.172 20 0 FGADMP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@H+]4C3)cc2)CC1 ZINC000370586046 499233924 /nfs/dbraw/zinc/23/39/24/499233924.db2.gz ZXAGMCGYTNFKJK-DYESRHJHSA-N 2 1 370.541 3.030 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000370608398 499235335 /nfs/dbraw/zinc/23/53/35/499235335.db2.gz LJEPSQGAGFUQEI-CWKRKGSWSA-N 2 1 371.569 3.303 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000370670115 499242324 /nfs/dbraw/zinc/24/23/24/499242324.db2.gz WNUXBFXKSZKRQY-BAGYTPMASA-N 2 1 372.553 3.214 20 0 FGADMP Cc1cccc(N2CCC([NH2+]C3CCN(c4nccs4)CC3)CC2)[nH+]1 ZINC000367931541 499247112 /nfs/dbraw/zinc/24/71/12/499247112.db2.gz OBLMFFXVTODEMB-UHFFFAOYSA-N 2 1 357.527 3.074 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3([C@H](C)CCO)CCC3)sc2C1 ZINC000368167715 499270763 /nfs/dbraw/zinc/27/07/63/499270763.db2.gz MXOZDQKHKPELIU-OAHLLOKOSA-N 2 1 351.560 3.188 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3([C@H](C)CCO)CCC3)sc2C1 ZINC000368167715 499270765 /nfs/dbraw/zinc/27/07/65/499270765.db2.gz MXOZDQKHKPELIU-OAHLLOKOSA-N 2 1 351.560 3.188 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n(C)c1C ZINC000368289838 499282380 /nfs/dbraw/zinc/28/23/80/499282380.db2.gz AIVQZOPRDNKNNU-CQSZACIVSA-N 2 1 366.465 3.465 20 0 FGADMP CC[C@@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000371088080 499287399 /nfs/dbraw/zinc/28/73/99/499287399.db2.gz CHZPBLCTRIKKON-JOCHJYFZSA-N 2 1 371.569 3.493 20 0 FGADMP CC(C)CCSCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371090344 499287510 /nfs/dbraw/zinc/28/75/10/499287510.db2.gz RZZYUPPMNNEWRK-UHFFFAOYSA-N 2 1 369.619 3.078 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1coc(-c2ccc(F)cc2)n1 ZINC000368416543 499293665 /nfs/dbraw/zinc/29/36/65/499293665.db2.gz LCVJIPYZYFALIL-CDHQVMDDSA-N 2 1 373.472 3.460 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000371242693 499301709 /nfs/dbraw/zinc/30/17/09/499301709.db2.gz HKILLKJBQWLIJE-TZIWHRDSSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371258323 499303270 /nfs/dbraw/zinc/30/32/70/499303270.db2.gz NGSXPUJEKBKHJA-VQDSBOJYSA-N 2 1 364.505 3.117 20 0 FGADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000371258323 499303273 /nfs/dbraw/zinc/30/32/73/499303273.db2.gz NGSXPUJEKBKHJA-VQDSBOJYSA-N 2 1 364.505 3.117 20 0 FGADMP C[N@@H+](Cc1ccc(Br)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371259572 499303505 /nfs/dbraw/zinc/30/35/05/499303505.db2.gz ULEJOACKPOBJIF-CQSZACIVSA-N 2 1 372.376 3.111 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000371271571 499304556 /nfs/dbraw/zinc/30/45/56/499304556.db2.gz SEWOJSJDRUXSBC-VXKWHMMOSA-N 2 1 363.505 3.415 20 0 FGADMP Cc1cc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc(C)c1O ZINC000368586827 499310603 /nfs/dbraw/zinc/31/06/03/499310603.db2.gz ZYKAOXPLENWZKG-UHFFFAOYSA-N 3 1 359.558 3.295 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000371335333 499312039 /nfs/dbraw/zinc/31/20/39/499312039.db2.gz JPKNKRPEQFXYCA-GOSISDBHSA-N 2 1 362.587 3.401 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000371335333 499312041 /nfs/dbraw/zinc/31/20/41/499312041.db2.gz JPKNKRPEQFXYCA-GOSISDBHSA-N 2 1 362.587 3.401 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368609002 499313445 /nfs/dbraw/zinc/31/34/45/499313445.db2.gz UNECOVSMSWGPFG-DISONHOPSA-N 2 1 351.535 3.094 20 0 FGADMP Cc1cccc(-c2nnc([C@H](C)N(C)CCN(C)C3CC[NH+](C)CC3)o2)c1 ZINC000371426499 499325076 /nfs/dbraw/zinc/32/50/76/499325076.db2.gz PUGUTSBZUNYUCU-KRWDZBQOSA-N 2 1 371.529 3.064 20 0 FGADMP C[N@@H+](Cc1cccc2nccn21)C1CCN(c2ncnc3ccccc32)CC1 ZINC000371426360 499325255 /nfs/dbraw/zinc/32/52/55/499325255.db2.gz PMMKRZDIJKBTGQ-UHFFFAOYSA-N 2 1 372.476 3.378 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1c(C)cc(C)cc1Cl)C2 ZINC000371491427 499333799 /nfs/dbraw/zinc/33/37/99/499333799.db2.gz PSVXMLJAXYIJRT-LSDHHAIUSA-N 2 1 360.889 3.393 20 0 FGADMP C[N@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000368860584 499340558 /nfs/dbraw/zinc/34/05/58/499340558.db2.gz XNKZOIIFBVZZKX-UHFFFAOYSA-N 2 1 357.473 3.449 20 0 FGADMP C[N@@H+](Cc1cc(F)cc2cccnc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000368860584 499340560 /nfs/dbraw/zinc/34/05/60/499340560.db2.gz XNKZOIIFBVZZKX-UHFFFAOYSA-N 2 1 357.473 3.449 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573207487 506143887 /nfs/dbraw/zinc/14/38/87/506143887.db2.gz ZIHDPUCEBZMBOD-AYDFFVQHSA-N 2 1 365.905 3.043 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000573207487 506143889 /nfs/dbraw/zinc/14/38/89/506143889.db2.gz ZIHDPUCEBZMBOD-AYDFFVQHSA-N 2 1 365.905 3.043 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)C2)CC1 ZINC000369397770 499399389 /nfs/dbraw/zinc/39/93/89/499399389.db2.gz JIAAGFUYIRJGDZ-QGZVFWFLSA-N 2 1 355.448 3.306 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1Cl ZINC000369766912 499441793 /nfs/dbraw/zinc/44/17/93/499441793.db2.gz OUXJRBYMRYTLFY-IBGZPJMESA-N 2 1 374.916 3.099 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)c1ccccc1Cl ZINC000369766913 499441811 /nfs/dbraw/zinc/44/18/11/499441811.db2.gz OUXJRBYMRYTLFY-LJQANCHMSA-N 2 1 374.916 3.099 20 0 FGADMP CC1CCC([NH+]2CCC(N(C)C(=O)c3c[nH+]ccc3N(C)C)CC2)CC1 ZINC000373394185 499467247 /nfs/dbraw/zinc/46/72/47/499467247.db2.gz RXTJIYDVIZXNCV-UHFFFAOYSA-N 2 1 358.530 3.263 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000378199610 499489881 /nfs/dbraw/zinc/48/98/81/499489881.db2.gz ASEHEUHKRRIZML-SFHVURJKSA-N 2 1 371.447 3.304 20 0 FGADMP C[N@@H+](C[C@H]1CC12CCN(C(=O)[C@@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354464 499506082 /nfs/dbraw/zinc/50/60/82/499506082.db2.gz JVUHVVKOAIJRTD-RTBURBONSA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@H]1CC12CCN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354464 499506083 /nfs/dbraw/zinc/50/60/83/499506083.db2.gz JVUHVVKOAIJRTD-RTBURBONSA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@H]1CC12CCN(C(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354464 499506085 /nfs/dbraw/zinc/50/60/85/499506085.db2.gz JVUHVVKOAIJRTD-RTBURBONSA-N 2 1 373.585 3.364 20 0 FGADMP Cc1scc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000378392358 499511421 /nfs/dbraw/zinc/51/14/21/499511421.db2.gz FPHMWUAQMMXPDA-UHFFFAOYSA-N 2 1 363.571 3.291 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398427 499512021 /nfs/dbraw/zinc/51/20/21/499512021.db2.gz RVIQSZCEILWOBS-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398427 499512023 /nfs/dbraw/zinc/51/20/23/499512023.db2.gz RVIQSZCEILWOBS-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000378398427 499512024 /nfs/dbraw/zinc/51/20/24/499512024.db2.gz RVIQSZCEILWOBS-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1ccc([C@@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)c(C)c1 ZINC000375590574 499535746 /nfs/dbraw/zinc/53/57/46/499535746.db2.gz INKVSDIQBUCVRO-QFIPXVFZSA-N 2 1 359.558 3.093 20 0 FGADMP Cc1ccc([C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)c(C)c1 ZINC000375590574 499535747 /nfs/dbraw/zinc/53/57/47/499535747.db2.gz INKVSDIQBUCVRO-QFIPXVFZSA-N 2 1 359.558 3.093 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)n(C)c1C ZINC000379615819 499542168 /nfs/dbraw/zinc/54/21/68/499542168.db2.gz BFHDMMMYWSCQIQ-MRXNPFEDSA-N 2 1 357.498 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)n(C)c1C ZINC000379615819 499542169 /nfs/dbraw/zinc/54/21/69/499542169.db2.gz BFHDMMMYWSCQIQ-MRXNPFEDSA-N 2 1 357.498 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460985 499543764 /nfs/dbraw/zinc/54/37/64/499543764.db2.gz PDHDXLZUJRPUNR-APWZRJJASA-N 2 1 369.509 3.120 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000382683137 499546268 /nfs/dbraw/zinc/54/62/68/499546268.db2.gz DCWPGLQAMCKKRB-RBBKRZOGSA-N 2 1 365.521 3.447 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375705205 499547348 /nfs/dbraw/zinc/54/73/48/499547348.db2.gz NZOYIJHKUZHFSI-UHFFFAOYSA-N 2 1 362.518 3.447 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000375705205 499547351 /nfs/dbraw/zinc/54/73/51/499547351.db2.gz NZOYIJHKUZHFSI-UHFFFAOYSA-N 2 1 362.518 3.447 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccc(Cl)cc1 ZINC000388330961 499550539 /nfs/dbraw/zinc/55/05/39/499550539.db2.gz RNEFQWAQLJCCAR-ICSRJNTNSA-N 2 1 374.912 3.191 20 0 FGADMP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)CC2)cc1 ZINC000375802017 499557099 /nfs/dbraw/zinc/55/70/99/499557099.db2.gz PVLHPFBZZGTOHO-BDTNDASRSA-N 2 1 356.558 3.184 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CC1(C[NH3+])CCCCC1 ZINC000398062418 499566136 /nfs/dbraw/zinc/56/61/36/499566136.db2.gz MUBRXCRTUPZJKK-ICSRJNTNSA-N 2 1 357.542 3.313 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000376823561 499637804 /nfs/dbraw/zinc/63/78/04/499637804.db2.gz PUXQQZJZTKUBDO-NEWSRXKRSA-N 2 1 361.530 3.238 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(OC(C)(C)C)nc1 ZINC000376823561 499637808 /nfs/dbraw/zinc/63/78/08/499637808.db2.gz PUXQQZJZTKUBDO-NEWSRXKRSA-N 2 1 361.530 3.238 20 0 FGADMP CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376832998 499638809 /nfs/dbraw/zinc/63/88/09/499638809.db2.gz YAKCNTYKHMRMGC-SWDXFRIISA-N 2 1 374.529 3.073 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000570382868 506155529 /nfs/dbraw/zinc/15/55/29/506155529.db2.gz NNYVJPZGWGLWQU-CEXWTWQISA-N 2 1 372.900 3.084 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000570382868 506155531 /nfs/dbraw/zinc/15/55/31/506155531.db2.gz NNYVJPZGWGLWQU-CEXWTWQISA-N 2 1 372.900 3.084 20 0 FGADMP C[C@@H]1C[N@@H+](C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194433 499709422 /nfs/dbraw/zinc/70/94/22/499709422.db2.gz UOSBBIXIRSZRFY-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@@H]1C[N@H+](C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194433 499709423 /nfs/dbraw/zinc/70/94/23/499709423.db2.gz UOSBBIXIRSZRFY-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628122 499712466 /nfs/dbraw/zinc/71/24/66/499712466.db2.gz OAJJHLQZHAHPRN-PXNSSMCTSA-N 2 1 373.541 3.009 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377670913 499717800 /nfs/dbraw/zinc/71/78/00/499717800.db2.gz OQYCXKBMXTYADS-ZWKOTPCHSA-N 2 1 350.869 3.409 20 0 FGADMP CCN(CC)c1ncc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000377695565 499721174 /nfs/dbraw/zinc/72/11/74/499721174.db2.gz IGMJAGSDCGBBJP-UHFFFAOYSA-N 2 1 359.543 3.485 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377706863 499723173 /nfs/dbraw/zinc/72/31/73/499723173.db2.gz UHCZZXSGZHCGMM-UYAOXDASSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377706863 499723174 /nfs/dbraw/zinc/72/31/74/499723174.db2.gz UHCZZXSGZHCGMM-UYAOXDASSA-N 2 1 373.541 3.011 20 0 FGADMP COc1ccc([C@@H](C)C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000377714757 499724325 /nfs/dbraw/zinc/72/43/25/499724325.db2.gz IUCIJWNOMXPOST-YBVXAUJNSA-N 2 1 357.542 3.042 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2)cn1 ZINC000377756891 499729132 /nfs/dbraw/zinc/72/91/32/499729132.db2.gz BAJRIZVAYIBOEI-FGZHOGPDSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cn2)cn1 ZINC000377756891 499729134 /nfs/dbraw/zinc/72/91/34/499729134.db2.gz BAJRIZVAYIBOEI-FGZHOGPDSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cn2)cn1 ZINC000377756891 499729136 /nfs/dbraw/zinc/72/91/36/499729136.db2.gz BAJRIZVAYIBOEI-FGZHOGPDSA-N 2 1 373.504 3.221 20 0 FGADMP c1cn(-c2ccc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cn2)cn1 ZINC000377756891 499729138 /nfs/dbraw/zinc/72/91/38/499729138.db2.gz BAJRIZVAYIBOEI-FGZHOGPDSA-N 2 1 373.504 3.221 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H]([C@@H]2CCOC2)C1)CC[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000411399594 499734783 /nfs/dbraw/zinc/73/47/83/499734783.db2.gz RNTWLEGCNKTJKD-KGWSWXIGSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H]([C@H]2CCOC2)C1)CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399594 499734785 /nfs/dbraw/zinc/73/47/85/499734785.db2.gz RNTWLEGCNKTJKD-KGWSWXIGSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H]([C@H]2CCOC2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000411399594 499734786 /nfs/dbraw/zinc/73/47/86/499734786.db2.gz RNTWLEGCNKTJKD-KGWSWXIGSA-N 2 1 364.574 3.120 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1F ZINC000377969372 499752001 /nfs/dbraw/zinc/75/20/01/499752001.db2.gz OSFNXYUPRMNHEL-AWEZNQCLSA-N 2 1 356.445 3.125 20 0 FGADMP O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544405 499752988 /nfs/dbraw/zinc/75/29/88/499752988.db2.gz NNCCRZFXXYULLE-LEWJYISDSA-N 2 1 356.510 3.243 20 0 FGADMP O=C1CCC[C@H]1[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544405 499752990 /nfs/dbraw/zinc/75/29/90/499752990.db2.gz NNCCRZFXXYULLE-LEWJYISDSA-N 2 1 356.510 3.243 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000414393515 499785916 /nfs/dbraw/zinc/78/59/16/499785916.db2.gz DNNYSPPMBOWNIW-HLAWJBBLSA-N 2 1 372.488 3.003 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000414393515 499785918 /nfs/dbraw/zinc/78/59/18/499785918.db2.gz DNNYSPPMBOWNIW-HLAWJBBLSA-N 2 1 372.488 3.003 20 0 FGADMP C[C@H](CC[NH+]1CC[C@@H](O)CC(C)(C)C1)CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000411801665 499792249 /nfs/dbraw/zinc/79/22/49/499792249.db2.gz ZJNFBYVMKSFOAF-OWZKRDHZSA-N 2 1 368.606 3.369 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H](O)CC(C)(C)C1)CC[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000411801665 499792250 /nfs/dbraw/zinc/79/22/50/499792250.db2.gz ZJNFBYVMKSFOAF-OWZKRDHZSA-N 2 1 368.606 3.369 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H](O)CC(C)(C)C1)CC[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000411801665 499792252 /nfs/dbraw/zinc/79/22/52/499792252.db2.gz ZJNFBYVMKSFOAF-OWZKRDHZSA-N 2 1 368.606 3.369 20 0 FGADMP CCN1CCN(CC(C)(C)[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411811876 499793381 /nfs/dbraw/zinc/79/33/81/499793381.db2.gz VNZNYJUKDSUCOY-UHFFFAOYSA-N 2 1 372.601 3.178 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670380 499819244 /nfs/dbraw/zinc/81/92/44/499819244.db2.gz DCVLUWXHQHMWBH-CXAGYDPISA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2/C=C/c2ccccc2)C1 ZINC000414715271 499822045 /nfs/dbraw/zinc/82/20/45/499822045.db2.gz WINLPDHVKFMZFG-DDVDASKDSA-N 2 1 355.526 3.142 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737973 499824994 /nfs/dbraw/zinc/82/49/94/499824994.db2.gz OREXHOWDKIAFLB-UONOGXRCSA-N 2 1 368.319 3.016 20 0 FGADMP CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414752689 499826804 /nfs/dbraw/zinc/82/68/04/499826804.db2.gz LBZBJRSCJIXIHF-UKRRQHHQSA-N 2 1 372.340 3.320 20 0 FGADMP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760644 499827484 /nfs/dbraw/zinc/82/74/84/499827484.db2.gz YTVDWBWGFPFBDI-OLZOCXBDSA-N 2 1 370.324 3.110 20 0 FGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774748 499829639 /nfs/dbraw/zinc/82/96/39/499829639.db2.gz FWMCRUZNMQABHF-PMACEKPBSA-N 2 1 351.494 3.482 20 0 FGADMP COc1c(Br)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414778558 499830121 /nfs/dbraw/zinc/83/01/21/499830121.db2.gz JBPFWDCOULUABX-ZIAGYGMSSA-N 2 1 353.304 3.279 20 0 FGADMP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414779850 499830247 /nfs/dbraw/zinc/83/02/47/499830247.db2.gz KRXFAYONPZLNPD-LBPRGKRZSA-N 2 1 359.333 3.006 20 0 FGADMP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414779850 499830248 /nfs/dbraw/zinc/83/02/48/499830248.db2.gz KRXFAYONPZLNPD-LBPRGKRZSA-N 2 1 359.333 3.006 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414809920 499833603 /nfs/dbraw/zinc/83/36/03/499833603.db2.gz UVYAGGUWJIGPDT-DZGCQCFKSA-N 2 1 363.303 3.446 20 0 FGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838326 499836246 /nfs/dbraw/zinc/83/62/46/499836246.db2.gz KHWJWGPMPWGFBG-SWLSCSKDSA-N 2 1 356.308 3.129 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414896442 499842824 /nfs/dbraw/zinc/84/28/24/499842824.db2.gz BUDRJWDWRGBWHK-MAUKXSAKSA-N 2 1 355.486 3.317 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000414914316 499844153 /nfs/dbraw/zinc/84/41/53/499844153.db2.gz XYBYJMJIIQYJCM-NVXWUHKLSA-N 2 1 355.486 3.256 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000414914854 499844340 /nfs/dbraw/zinc/84/43/40/499844340.db2.gz YPFDVDDCFMRQBW-MRXNPFEDSA-N 2 1 355.486 3.176 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414948135 499847932 /nfs/dbraw/zinc/84/79/32/499847932.db2.gz XSEKJHUJAILCQE-UHFFFAOYSA-N 2 1 363.303 3.175 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C[C@@H](C)C1 ZINC000412358809 499848354 /nfs/dbraw/zinc/84/83/54/499848354.db2.gz JIIMLTXAUOGPLJ-NNMXDRDESA-N 2 1 369.553 3.475 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@]1(C)C[NH3+] ZINC000415057466 499859267 /nfs/dbraw/zinc/85/92/67/499859267.db2.gz SXFATTXJAJXBPI-VGOFRKELSA-N 2 1 361.493 3.351 20 0 FGADMP O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415077416 499861129 /nfs/dbraw/zinc/86/11/29/499861129.db2.gz FBGCJYXEGZYWKD-YADHBBJMSA-N 2 1 363.505 3.392 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000415188533 499874917 /nfs/dbraw/zinc/87/49/17/499874917.db2.gz VKNAZHGADZRTEN-JXFKEZNVSA-N 2 1 374.529 3.109 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415933758 499930122 /nfs/dbraw/zinc/93/01/22/499930122.db2.gz PXOAWKWTBPTZQK-YLJYHZDGSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415933754 499930161 /nfs/dbraw/zinc/93/01/61/499930161.db2.gz PXOAWKWTBPTZQK-FXAWDEMLSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2C)CC1 ZINC000415940960 499931287 /nfs/dbraw/zinc/93/12/87/499931287.db2.gz FUXOIQGNRSRJGX-UHFFFAOYSA-N 2 1 366.509 3.454 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949553 499932311 /nfs/dbraw/zinc/93/23/11/499932311.db2.gz CGNMSNYEKDKSKN-UHFFFAOYSA-N 2 1 374.460 3.050 20 0 FGADMP CC(C)(CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000415971232 499935684 /nfs/dbraw/zinc/93/56/84/499935684.db2.gz GAELIRSMSGWGQT-UHFFFAOYSA-N 2 1 352.482 3.104 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000415972850 499936034 /nfs/dbraw/zinc/93/60/34/499936034.db2.gz NDZGNIBMEKFWOT-HXUWFJFHSA-N 2 1 366.509 3.092 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000415988549 499938054 /nfs/dbraw/zinc/93/80/54/499938054.db2.gz DFJDGODGXZAGRX-SJORKVTESA-N 2 1 364.493 3.417 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417028725 499951852 /nfs/dbraw/zinc/95/18/52/499951852.db2.gz BSIPGPIBRZDDAL-GOSISDBHSA-N 2 1 352.567 3.049 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[NH2+]Cc3ccccc32)cc1 ZINC000428896572 499955102 /nfs/dbraw/zinc/95/51/02/499955102.db2.gz NEDDPVTXKYGNKY-UHFFFAOYSA-N 2 1 367.493 3.157 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417042693 499956400 /nfs/dbraw/zinc/95/64/00/499956400.db2.gz LXDJICQJOKWKRG-XLIONFOSSA-N 2 1 360.546 3.203 20 0 FGADMP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970219 499971253 /nfs/dbraw/zinc/97/12/53/499971253.db2.gz XSEBRIBWUWCXDT-WSTZPKSXSA-N 2 1 374.573 3.173 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000573310776 506168403 /nfs/dbraw/zinc/16/84/03/506168403.db2.gz VKTIZZAKVBSIEQ-UHFFFAOYSA-N 2 1 352.526 3.488 20 0 FGADMP C[C@H](C[NH+]1CCOC[C@@H](C2CCC2)C1)C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000429029963 499988449 /nfs/dbraw/zinc/98/84/49/499988449.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](C[NH+]1CCOC[C@H](C2CCC2)C1)C[N@@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029963 499988454 /nfs/dbraw/zinc/98/84/54/499988454.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](C[NH+]1CCOC[C@H](C2CCC2)C1)C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000429029963 499988458 /nfs/dbraw/zinc/98/84/58/499988458.db2.gz QPEGIVTUIYSHAG-FJPGZJACSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098869 500003405 /nfs/dbraw/zinc/00/34/05/500003405.db2.gz QDRVSOUIEKUNSO-YFVAEKQCSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000429098869 500003409 /nfs/dbraw/zinc/00/34/09/500003409.db2.gz QDRVSOUIEKUNSO-YFVAEKQCSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)C1 ZINC000429098869 500003411 /nfs/dbraw/zinc/00/34/11/500003411.db2.gz QDRVSOUIEKUNSO-YFVAEKQCSA-N 2 1 370.541 3.138 20 0 FGADMP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417212350 500006824 /nfs/dbraw/zinc/00/68/24/500006824.db2.gz FFOHNPKPTRZXGY-QGZVFWFLSA-N 2 1 360.546 3.248 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)cc1 ZINC000417217526 500008091 /nfs/dbraw/zinc/00/80/91/500008091.db2.gz DKFDXLBEEPSRLG-XGHQBKJUSA-N 2 1 366.509 3.341 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133245 500009887 /nfs/dbraw/zinc/00/98/87/500009887.db2.gz XYPYAFILLNWINE-CEXWTWQISA-N 2 1 364.917 3.403 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133245 500009891 /nfs/dbraw/zinc/00/98/91/500009891.db2.gz XYPYAFILLNWINE-CEXWTWQISA-N 2 1 364.917 3.403 20 0 FGADMP COC(=O)[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429133245 500009895 /nfs/dbraw/zinc/00/98/95/500009895.db2.gz XYPYAFILLNWINE-CEXWTWQISA-N 2 1 364.917 3.403 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000429241624 500031037 /nfs/dbraw/zinc/03/10/37/500031037.db2.gz XQDIFXBNIWTOMM-UHFFFAOYSA-N 2 1 354.498 3.285 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc2c(c1)CCC2 ZINC000429241624 500031043 /nfs/dbraw/zinc/03/10/43/500031043.db2.gz XQDIFXBNIWTOMM-UHFFFAOYSA-N 2 1 354.498 3.285 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C/C=C\c3ccccc3OC)CC2)CC1 ZINC000421382644 500034011 /nfs/dbraw/zinc/03/40/11/500034011.db2.gz YMIQQPYJUJXPEO-TWGQIWQCSA-N 2 1 357.542 3.200 20 0 FGADMP CSC[C@H]1CCC[NH+](CC2(C[N@@H+]3CCC[C@H](CSC)C3)COC2)C1 ZINC000429297028 500046679 /nfs/dbraw/zinc/04/66/79/500046679.db2.gz CLCABYMIRSDZIA-ROUUACIJSA-N 2 1 372.644 3.153 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535419 500094962 /nfs/dbraw/zinc/09/49/62/500094962.db2.gz ICOOZKFMMGWMOQ-INIZCTEOSA-N 2 1 357.420 3.450 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417554806 500107121 /nfs/dbraw/zinc/10/71/21/500107121.db2.gz KKPXCSLHQZFKQJ-UXHICEINSA-N 2 1 360.546 3.420 20 0 FGADMP C[C@H](CNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000417589893 500119578 /nfs/dbraw/zinc/11/95/78/500119578.db2.gz QQILKXSERXIXFK-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC(C)(C)CCC[NH3+] ZINC000417687612 500149480 /nfs/dbraw/zinc/14/94/80/500149480.db2.gz RMKVEBKEHBPEBD-LJQANCHMSA-N 2 1 374.573 3.276 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(C(F)(F)F)c2)C1 ZINC000573359276 506179155 /nfs/dbraw/zinc/17/91/55/506179155.db2.gz SYSBAVPSRKSZNQ-CQSZACIVSA-N 2 1 357.420 3.356 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C2CC2)c(F)c1 ZINC000421838581 500162099 /nfs/dbraw/zinc/16/20/99/500162099.db2.gz VOQOJBGZHRSYML-OXQOHEQNSA-N 2 1 350.478 3.112 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000416976126 500172850 /nfs/dbraw/zinc/17/28/50/500172850.db2.gz NWVUMXPOFRTUFI-RXVVDRJESA-N 2 1 372.557 3.392 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000416978464 500173338 /nfs/dbraw/zinc/17/33/38/500173338.db2.gz RJJWSCBUZHFYQD-GHTZIAJQSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000417850384 500183663 /nfs/dbraw/zinc/18/36/63/500183663.db2.gz FANQKBGQGRIFQZ-FOIQADDNSA-N 2 1 369.513 3.449 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccc(Cl)cc2)C1 ZINC000579463572 506181311 /nfs/dbraw/zinc/18/13/11/506181311.db2.gz ZXKCJLAYUOQHHF-ICSRJNTNSA-N 2 1 368.949 3.175 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000417887187 500192361 /nfs/dbraw/zinc/19/23/61/500192361.db2.gz WWNWTAHIBZFBBF-FXAWDEMLSA-N 2 1 360.546 3.248 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417918581 500197806 /nfs/dbraw/zinc/19/78/06/500197806.db2.gz FOOQEFHSUVJQSG-BVOGOJNSSA-N 2 1 372.557 3.104 20 0 FGADMP CCCN(C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417930874 500200089 /nfs/dbraw/zinc/20/00/89/500200089.db2.gz VCRNMLFIOXYKAS-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417935041 500200462 /nfs/dbraw/zinc/20/04/62/500200462.db2.gz ZCSRNPKFAZLJKB-NRSPTQNISA-N 2 1 372.557 3.058 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418012281 500214083 /nfs/dbraw/zinc/21/40/83/500214083.db2.gz VVIXATZAQTXBIN-JLZZUVOBSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418012281 500214084 /nfs/dbraw/zinc/21/40/84/500214084.db2.gz VVIXATZAQTXBIN-JLZZUVOBSA-N 2 1 370.900 3.039 20 0 FGADMP COc1cccc(CCC[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425941998 500214873 /nfs/dbraw/zinc/21/48/73/500214873.db2.gz DHGXTLMRESLBON-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP COc1cccc(CCC[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)c1 ZINC000425941998 500214877 /nfs/dbraw/zinc/21/48/77/500214877.db2.gz DHGXTLMRESLBON-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP COc1cccc(CCC[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000425941998 500214879 /nfs/dbraw/zinc/21/48/79/500214879.db2.gz DHGXTLMRESLBON-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP COc1cccc(CCC[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000425941998 500214882 /nfs/dbraw/zinc/21/48/82/500214882.db2.gz DHGXTLMRESLBON-QHCPKHFHSA-N 2 1 368.521 3.197 20 0 FGADMP c1[nH+]c2c(n1Cc1nc(-c3ccc(C[NH+]4CCCC4)cc3)no1)CCCC2 ZINC000576548423 506183531 /nfs/dbraw/zinc/18/35/31/506183531.db2.gz ANIWLCHPFCNZCO-UHFFFAOYSA-N 2 1 363.465 3.456 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418156874 500239038 /nfs/dbraw/zinc/23/90/38/500239038.db2.gz NUDDEDGIHRBRJJ-UFYCRDLUSA-N 2 1 372.557 3.104 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418166076 500240584 /nfs/dbraw/zinc/24/05/84/500240584.db2.gz YWFVYJCAIZVTTM-PKOBYXMFSA-N 2 1 360.546 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418177564 500243431 /nfs/dbraw/zinc/24/34/31/500243431.db2.gz HUXIRGXIDDBEIC-HDMKZQKVSA-N 2 1 366.937 3.102 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541424 500251455 /nfs/dbraw/zinc/25/14/55/500251455.db2.gz INSUKFFQODKULL-OCCSQVGLSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000430541424 500251457 /nfs/dbraw/zinc/25/14/57/500251457.db2.gz INSUKFFQODKULL-OCCSQVGLSA-N 2 1 358.313 3.011 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418231557 500253263 /nfs/dbraw/zinc/25/32/63/500253263.db2.gz GQHBHXVGLMOLPS-SFTDATJTSA-N 2 1 374.573 3.304 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559642 500254342 /nfs/dbraw/zinc/25/43/42/500254342.db2.gz UCAUJVVLTAXNBY-WIYYLYMNSA-N 2 1 365.521 3.294 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559642 500254345 /nfs/dbraw/zinc/25/43/45/500254345.db2.gz UCAUJVVLTAXNBY-WIYYLYMNSA-N 2 1 365.521 3.294 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430601406 500260954 /nfs/dbraw/zinc/26/09/54/500260954.db2.gz TZWUSUISPVSBRL-CDXJDZJCSA-N 2 1 371.550 3.403 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630624 500264449 /nfs/dbraw/zinc/26/44/49/500264449.db2.gz RRDMFSGWOZTBNQ-XQQFMLRXSA-N 2 1 358.313 3.230 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630624 500264452 /nfs/dbraw/zinc/26/44/52/500264452.db2.gz RRDMFSGWOZTBNQ-XQQFMLRXSA-N 2 1 358.313 3.230 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418421750 500274005 /nfs/dbraw/zinc/27/40/05/500274005.db2.gz CUUDNFGYPYFEDH-RXVVDRJESA-N 2 1 372.557 3.373 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426455946 500274186 /nfs/dbraw/zinc/27/41/86/500274186.db2.gz VFOGIGDHIJJMKB-NRFANRHFSA-N 2 1 355.526 3.306 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418435725 500276477 /nfs/dbraw/zinc/27/64/77/500276477.db2.gz IBGJRGMQWHFIPJ-HKUYNNGSSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000422641163 500285301 /nfs/dbraw/zinc/28/53/01/500285301.db2.gz XGRFXSQQYLQSFP-MGPQQGTHSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000422640955 500285421 /nfs/dbraw/zinc/28/54/21/500285421.db2.gz WPTCEWPSBLNAHS-RDBSUJKOSA-N 2 1 368.319 3.083 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503847 500285721 /nfs/dbraw/zinc/28/57/21/500285721.db2.gz ZUCJJLGKTPIHPI-DYESRHJHSA-N 2 1 368.525 3.213 20 0 FGADMP COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725985 500290527 /nfs/dbraw/zinc/29/05/27/500290527.db2.gz CXFYBWQIRCUMNE-SLFFLAALSA-N 2 1 374.525 3.263 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840640 500295088 /nfs/dbraw/zinc/29/50/88/500295088.db2.gz SZUOIWFMZPFWBF-ZVDOUQERSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840640 500295091 /nfs/dbraw/zinc/29/50/91/500295091.db2.gz SZUOIWFMZPFWBF-ZVDOUQERSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840640 500295092 /nfs/dbraw/zinc/29/50/92/500295092.db2.gz SZUOIWFMZPFWBF-ZVDOUQERSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840640 500295096 /nfs/dbraw/zinc/29/50/96/500295096.db2.gz SZUOIWFMZPFWBF-ZVDOUQERSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(Br)c1 ZINC000422800212 500300014 /nfs/dbraw/zinc/30/00/14/500300014.db2.gz ZOLFGZZXODQUHB-RYUDHWBXSA-N 2 1 350.260 3.375 20 0 FGADMP C[C@@H]1CN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)C[C@@H](C)O1 ZINC000422810563 500301204 /nfs/dbraw/zinc/30/12/04/500301204.db2.gz NQJMWHOZQQUKID-UDMCKFQASA-N 2 1 371.569 3.306 20 0 FGADMP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCN1 ZINC000422820316 500301958 /nfs/dbraw/zinc/30/19/58/500301958.db2.gz PXEMRNALSKGRFO-UGKGYDQZSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422820316 500301961 /nfs/dbraw/zinc/30/19/61/500301961.db2.gz PXEMRNALSKGRFO-UGKGYDQZSA-N 2 1 359.558 3.178 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422823606 500302425 /nfs/dbraw/zinc/30/24/25/500302425.db2.gz LWNAQQALUWBHKN-LBPRGKRZSA-N 2 1 362.861 3.144 20 0 FGADMP CC[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422821813 500302491 /nfs/dbraw/zinc/30/24/91/500302491.db2.gz YQEUXGHMCZMIML-VXKWHMMOSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000430910741 500306170 /nfs/dbraw/zinc/30/61/70/500306170.db2.gz XJHOCHLDPSYLMW-PBASOCQRSA-N 2 1 357.542 3.453 20 0 FGADMP Fc1ccc(Oc2ccnc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c2)cc1 ZINC000422888886 500311380 /nfs/dbraw/zinc/31/13/80/500311380.db2.gz OFNLALVVVRHJQO-PCCBWWKXSA-N 2 1 371.456 3.260 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422893650 500312652 /nfs/dbraw/zinc/31/26/52/500312652.db2.gz QVSQRZGVQXGPDX-YPAWHYETSA-N 2 1 359.558 3.418 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000422903686 500313588 /nfs/dbraw/zinc/31/35/88/500313588.db2.gz OVVQRHCCOZLWOS-MORSLUCNSA-N 2 1 366.383 3.180 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c(C(F)(F)F)c2)n1 ZINC000422907605 500314392 /nfs/dbraw/zinc/31/43/92/500314392.db2.gz XFDAHOKNCKBEEE-IAGOWNOFSA-N 2 1 352.404 3.477 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909976 500315657 /nfs/dbraw/zinc/31/56/57/500315657.db2.gz HCDWNEMSSHTUQA-AUSIDOKSSA-N 3 1 367.537 3.209 20 0 FGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909976 500315660 /nfs/dbraw/zinc/31/56/60/500315660.db2.gz HCDWNEMSSHTUQA-AUSIDOKSSA-N 2 1 367.537 3.209 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000418744917 500316823 /nfs/dbraw/zinc/31/68/23/500316823.db2.gz FTZNDZOXMKZBKR-OAQYLSRUSA-N 2 1 372.557 3.169 20 0 FGADMP CCCCNC(=O)c1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422937296 500319712 /nfs/dbraw/zinc/31/97/12/500319712.db2.gz JJNCKJWCHJSDDD-LAUBAEHRSA-N 2 1 353.510 3.265 20 0 FGADMP COc1ccc([C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422997315 500329312 /nfs/dbraw/zinc/32/93/12/500329312.db2.gz NMFBDCRYGDUACZ-QIJUGHKUSA-N 2 1 359.558 3.446 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ncccc1C(F)(F)F ZINC000423001138 500329924 /nfs/dbraw/zinc/32/99/24/500329924.db2.gz WSEJMZIXTOPSGI-CJNGLKHVSA-N 2 1 353.388 3.027 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000431064416 500330409 /nfs/dbraw/zinc/33/04/09/500330409.db2.gz JCPRLZPXVOWYHH-OAQYLSRUSA-N 2 1 367.493 3.362 20 0 FGADMP CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)Nc1nccs1 ZINC000423015638 500330717 /nfs/dbraw/zinc/33/07/17/500330717.db2.gz LBZXEZIYYYVVOZ-JYJNAYRXSA-N 2 1 352.548 3.397 20 0 FGADMP O=C1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1c1ccc(Cl)cc1Cl ZINC000423072560 500338450 /nfs/dbraw/zinc/33/84/50/500338450.db2.gz PSPPYLQJFDJXTQ-LBEMJPCMSA-N 2 1 368.308 3.361 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423094458 500340999 /nfs/dbraw/zinc/34/09/99/500340999.db2.gz BWQVCBVYIUXPQM-ARFHVFGLSA-N 2 1 357.420 3.423 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423094460 500341199 /nfs/dbraw/zinc/34/11/99/500341199.db2.gz BWQVCBVYIUXPQM-HRCADAONSA-N 2 1 357.420 3.423 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102635 500342689 /nfs/dbraw/zinc/34/26/89/500342689.db2.gz KIRVIGRLWOKJEV-FDFHNCONSA-N 2 1 357.542 3.170 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](CN[C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141783 500347781 /nfs/dbraw/zinc/34/77/81/500347781.db2.gz RUKFZTVCNZDTKB-SSGKUCQKSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141783 500347782 /nfs/dbraw/zinc/34/77/82/500347782.db2.gz RUKFZTVCNZDTKB-SSGKUCQKSA-N 3 1 371.569 3.035 20 0 FGADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000423141783 500347785 /nfs/dbraw/zinc/34/77/85/500347785.db2.gz RUKFZTVCNZDTKB-SSGKUCQKSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423169077 500350472 /nfs/dbraw/zinc/35/04/72/500350472.db2.gz YZJBBJIFMWMBEQ-VKJFTORMSA-N 2 1 369.347 3.029 20 0 FGADMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423169073 500350758 /nfs/dbraw/zinc/35/07/58/500350758.db2.gz YZJBBJIFMWMBEQ-MPGHIAIKSA-N 2 1 369.347 3.029 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427124863 500356519 /nfs/dbraw/zinc/35/65/19/500356519.db2.gz WWJCFAKQMJCDSG-NQIIRXRSSA-N 2 1 365.477 3.131 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)cc1 ZINC000427124863 500356521 /nfs/dbraw/zinc/35/65/21/500356521.db2.gz WWJCFAKQMJCDSG-NQIIRXRSSA-N 2 1 365.477 3.131 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1cccc(C(F)(F)F)c1 ZINC000427201803 500366265 /nfs/dbraw/zinc/36/62/65/500366265.db2.gz BZTBYWQSEQLWGL-IRXDYDNUSA-N 2 1 369.431 3.051 20 0 FGADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)C[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000427278975 500376660 /nfs/dbraw/zinc/37/66/60/500376660.db2.gz DXBSADIFFBCROI-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423509020 500380572 /nfs/dbraw/zinc/38/05/72/500380572.db2.gz LBWKCXZISXAKLH-MDMXATFFSA-N 2 1 367.541 3.048 20 0 FGADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000423524502 500381655 /nfs/dbraw/zinc/38/16/55/500381655.db2.gz XGDGPXXJZREXTK-NNGSBXSVSA-N 2 1 366.347 3.316 20 0 FGADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423526021 500382286 /nfs/dbraw/zinc/38/22/86/500382286.db2.gz KXRVDZAYYPJXNV-OAHLLOKOSA-N 2 1 350.528 3.196 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423529214 500383241 /nfs/dbraw/zinc/38/32/41/500383241.db2.gz XIIZIRLVDIHOQC-IAGOWNOFSA-N 2 1 357.523 3.464 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]3CCC[C@H]32)cc1 ZINC000423549984 500384107 /nfs/dbraw/zinc/38/41/07/500384107.db2.gz NNLHJZWNWGGFIB-UKIRVEGOSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]3CCC[C@H]32)cc1 ZINC000423549984 500384109 /nfs/dbraw/zinc/38/41/09/500384109.db2.gz NNLHJZWNWGGFIB-UKIRVEGOSA-N 2 1 353.554 3.407 20 0 FGADMP [NH3+]C1(CN[C@@H](c2cncc(F)c2)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423564057 500384788 /nfs/dbraw/zinc/38/47/88/500384788.db2.gz KXGSEANFGNVWPU-OAQYLSRUSA-N 2 1 368.500 3.255 20 0 FGADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000427411763 500390955 /nfs/dbraw/zinc/39/09/55/500390955.db2.gz GMIFPPFUUMVMKZ-OAQYLSRUSA-N 2 1 370.541 3.091 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)[N@@H+](C)Cc1ccccc1 ZINC000423651777 500392620 /nfs/dbraw/zinc/39/26/20/500392620.db2.gz QFCWVTCQMXAMMQ-IBGZPJMESA-N 2 1 353.466 3.018 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@H]1C ZINC000431653176 500403499 /nfs/dbraw/zinc/40/34/99/500403499.db2.gz YWTMFLNJPQXRMJ-QUCCMNQESA-N 2 1 366.594 3.259 20 0 FGADMP CC(=O)NC1CCC([NH2+]CC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000427559392 500405439 /nfs/dbraw/zinc/40/54/39/500405439.db2.gz LZMNKTGQRALMQV-JTVPTGRASA-N 2 1 357.542 3.324 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000423831417 500408395 /nfs/dbraw/zinc/40/83/95/500408395.db2.gz WBCLPTKCEHDKCD-CEWLAPEOSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423906265 500418038 /nfs/dbraw/zinc/41/80/38/500418038.db2.gz PWZDCBWWMQDEQC-RLLQIKCJSA-N 2 1 355.526 3.188 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000431852269 500434667 /nfs/dbraw/zinc/43/46/67/500434667.db2.gz VVDSOTOBIUUVCC-HLAWJBBLSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852269 500434668 /nfs/dbraw/zinc/43/46/68/500434668.db2.gz VVDSOTOBIUUVCC-HLAWJBBLSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000431852269 500434670 /nfs/dbraw/zinc/43/46/70/500434670.db2.gz VVDSOTOBIUUVCC-HLAWJBBLSA-N 2 1 357.542 3.420 20 0 FGADMP CC[N@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000420303732 500437553 /nfs/dbraw/zinc/43/75/53/500437553.db2.gz DDVZZYVZAXKJSP-SUMWQHHRSA-N 2 1 353.869 3.048 20 0 FGADMP CC[N@@H+]([C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000420303732 500437554 /nfs/dbraw/zinc/43/75/54/500437554.db2.gz DDVZZYVZAXKJSP-SUMWQHHRSA-N 2 1 353.869 3.048 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)cc1 ZINC000420307921 500438142 /nfs/dbraw/zinc/43/81/42/500438142.db2.gz RRVZBEURQMUYBO-FYYLOGMGSA-N 2 1 368.521 3.461 20 0 FGADMP C[C@H]1SCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1ccccc1 ZINC000420309902 500438850 /nfs/dbraw/zinc/43/88/50/500438850.db2.gz UIVMUUNRERRXKB-MBPVOVBZSA-N 2 1 356.535 3.096 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903068 500441448 /nfs/dbraw/zinc/44/14/48/500441448.db2.gz MNKCMZOBCXPAST-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP O=C(NCc1ccc(N2CCCC2)nc1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431907726 500442064 /nfs/dbraw/zinc/44/20/64/500442064.db2.gz SSIHNPPVPJYCAI-IBGZPJMESA-N 2 1 356.514 3.095 20 0 FGADMP Brc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420332753 500443319 /nfs/dbraw/zinc/44/33/19/500443319.db2.gz SHWYTTIWRBSKMY-HUUCEWRRSA-N 2 1 353.304 3.149 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CCC2(CC[NH2+]2)CC1 ZINC000424050532 500444020 /nfs/dbraw/zinc/44/40/20/500444020.db2.gz DLJQAHLDXAZZJN-UHFFFAOYSA-N 2 1 363.505 3.043 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344436 500445501 /nfs/dbraw/zinc/44/55/01/500445501.db2.gz SXPVTJPAZCAWTO-MGPQQGTHSA-N 2 1 353.869 3.128 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(C(F)(F)F)cc1 ZINC000420344253 500445649 /nfs/dbraw/zinc/44/56/49/500445649.db2.gz SHCKALQZFXDRCU-INIZCTEOSA-N 2 1 355.404 3.108 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346939 500446032 /nfs/dbraw/zinc/44/60/32/500446032.db2.gz ZMPMSLODWYFDEN-UONOGXRCSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)cc1Cl ZINC000420357897 500446948 /nfs/dbraw/zinc/44/69/48/500446948.db2.gz IBSVCAOMYGMSTI-NHYWBVRUSA-N 2 1 358.313 3.148 20 0 FGADMP C[C@@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)cc1Cl ZINC000420357893 500447366 /nfs/dbraw/zinc/44/73/66/500447366.db2.gz IBSVCAOMYGMSTI-ABAIWWIYSA-N 2 1 358.313 3.148 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3sc4ccccc4c3Cl)C2)nn1 ZINC000420370277 500449513 /nfs/dbraw/zinc/44/95/13/500449513.db2.gz CMBBJVXTKPQVGS-CYBMUJFWSA-N 2 1 361.902 3.442 20 0 FGADMP CC(C)Oc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000420383039 500451683 /nfs/dbraw/zinc/45/16/83/500451683.db2.gz QJAQRZPDSQFGPE-INIZCTEOSA-N 2 1 363.893 3.015 20 0 FGADMP CC(C)Oc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000420383039 500451685 /nfs/dbraw/zinc/45/16/85/500451685.db2.gz QJAQRZPDSQFGPE-INIZCTEOSA-N 2 1 363.893 3.015 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420382698 500452051 /nfs/dbraw/zinc/45/20/51/500452051.db2.gz ZXXWRZABHFAPMY-MRXNPFEDSA-N 2 1 353.894 3.174 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424283358 500481335 /nfs/dbraw/zinc/48/13/35/500481335.db2.gz BLYYROFKIYGMRS-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH2+]CC2 ZINC000424283358 500481337 /nfs/dbraw/zinc/48/13/37/500481337.db2.gz BLYYROFKIYGMRS-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289547 500481541 /nfs/dbraw/zinc/48/15/41/500481541.db2.gz LXGSQOWSGDBSOH-PGRDOPGGSA-N 2 1 369.553 3.498 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305497 500484039 /nfs/dbraw/zinc/48/40/39/500484039.db2.gz SLRJLQNFANSHIT-GOEBONIOSA-N 2 1 361.427 3.074 20 0 FGADMP CC(C)O[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000428283948 500491304 /nfs/dbraw/zinc/49/13/04/500491304.db2.gz CJIMOGOEZVZOAU-CEMLEFRQSA-N 2 1 359.558 3.111 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cnc3ccc(Br)cn13)CC[NH2+]CC2 ZINC000424370336 500492690 /nfs/dbraw/zinc/49/26/90/500492690.db2.gz CEPSFIKFRRUVRT-ZDUSSCGKSA-N 2 1 363.303 3.061 20 0 FGADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(Br)c1O ZINC000424383317 500494920 /nfs/dbraw/zinc/49/49/20/500494920.db2.gz UCHAEOWHQHSVGL-GFCCVEGCSA-N 2 1 369.303 3.127 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424428778 500502785 /nfs/dbraw/zinc/50/27/85/500502785.db2.gz UVTYCFPNHQZICB-PXNSSMCTSA-N 2 1 366.509 3.486 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424427512 500502991 /nfs/dbraw/zinc/50/29/91/500502991.db2.gz PRRUDEXAORDZES-OXJNMPFZSA-N 2 1 352.482 3.096 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424428779 500503108 /nfs/dbraw/zinc/50/31/08/500503108.db2.gz UVTYCFPNHQZICB-XLIONFOSSA-N 2 1 366.509 3.486 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000424443271 500506515 /nfs/dbraw/zinc/50/65/15/500506515.db2.gz JYWGPSBSSAZFEO-LPHOPBHVSA-N 2 1 352.482 3.411 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000420838825 500513126 /nfs/dbraw/zinc/51/31/26/500513126.db2.gz RRKQDYHWUFYTQR-XVAXZDLZSA-N 2 1 372.557 3.069 20 0 FGADMP CC[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420936808 500535453 /nfs/dbraw/zinc/53/54/53/500535453.db2.gz KXSIIEYWNXAQPA-QHCPKHFHSA-N 2 1 368.521 3.292 20 0 FGADMP CC[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420936808 500535455 /nfs/dbraw/zinc/53/54/55/500535455.db2.gz KXSIIEYWNXAQPA-QHCPKHFHSA-N 2 1 368.521 3.292 20 0 FGADMP OCC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000420968125 500543315 /nfs/dbraw/zinc/54/33/15/500543315.db2.gz VLUDJVNSVYOROH-NRFANRHFSA-N 2 1 374.912 3.386 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000428690802 500544259 /nfs/dbraw/zinc/54/42/59/500544259.db2.gz LSJCOUKOOUOOAF-CTNGQTDRSA-N 2 1 374.573 3.489 20 0 FGADMP Cc1nc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc2s1 ZINC000576647104 506204819 /nfs/dbraw/zinc/20/48/19/506204819.db2.gz GEOIIQRKHAKBAP-GOSISDBHSA-N 2 1 358.555 3.205 20 0 FGADMP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043674 500595781 /nfs/dbraw/zinc/59/57/81/500595781.db2.gz VNCCNOQAKMGTMC-VXKWHMMOSA-N 2 1 371.569 3.477 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000437101976 500602144 /nfs/dbraw/zinc/60/21/44/500602144.db2.gz WYULHRUKAITVIS-KFKAGJAMSA-N 2 1 350.478 3.376 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOc3c(F)cccc32)[C@@H](C)C1 ZINC000437101976 500602148 /nfs/dbraw/zinc/60/21/48/500602148.db2.gz WYULHRUKAITVIS-KFKAGJAMSA-N 2 1 350.478 3.376 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1=O ZINC000433065285 500617429 /nfs/dbraw/zinc/61/74/29/500617429.db2.gz DPKPLWBURYROKN-BHDDXSALSA-N 2 1 365.521 3.259 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762149 500621677 /nfs/dbraw/zinc/62/16/77/500621677.db2.gz QEMBJILASUOMCI-DLBZAZTESA-N 2 1 353.466 3.477 20 0 FGADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871050 500637159 /nfs/dbraw/zinc/63/71/59/500637159.db2.gz AXDFUWZCVPEUCP-CQSZACIVSA-N 2 1 352.592 3.426 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(Br)c1 ZINC000442875957 500637659 /nfs/dbraw/zinc/63/76/59/500637659.db2.gz PYSMBNJDOKKGKT-ZDUSSCGKSA-N 2 1 372.326 3.265 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)cs1 ZINC000442875956 500637894 /nfs/dbraw/zinc/63/78/94/500637894.db2.gz XGIWSRMMPWSZFL-INIZCTEOSA-N 2 1 358.555 3.487 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000443058995 500671781 /nfs/dbraw/zinc/67/17/81/500671781.db2.gz LMSANWXENQZTPA-JTQLQIEISA-N 2 1 371.304 3.121 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Br)s3)no2)C1 ZINC000443058995 500671785 /nfs/dbraw/zinc/67/17/85/500671785.db2.gz LMSANWXENQZTPA-JTQLQIEISA-N 2 1 371.304 3.121 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214038 500734068 /nfs/dbraw/zinc/73/40/68/500734068.db2.gz PABTYKHVAJKPJU-HSALFYBXSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214038 500734070 /nfs/dbraw/zinc/73/40/70/500734070.db2.gz PABTYKHVAJKPJU-HSALFYBXSA-N 2 1 366.594 3.022 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000448214038 500734073 /nfs/dbraw/zinc/73/40/73/500734073.db2.gz PABTYKHVAJKPJU-HSALFYBXSA-N 2 1 366.594 3.022 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000438185331 500751632 /nfs/dbraw/zinc/75/16/32/500751632.db2.gz CKVRAMAWGIDMRP-KURKYZTESA-N 2 1 356.432 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000438185331 500751633 /nfs/dbraw/zinc/75/16/33/500751633.db2.gz CKVRAMAWGIDMRP-KURKYZTESA-N 2 1 356.432 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000438185327 500751933 /nfs/dbraw/zinc/75/19/33/500751933.db2.gz CKVRAMAWGIDMRP-BZSNNMDCSA-N 2 1 356.432 3.334 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000438185327 500751935 /nfs/dbraw/zinc/75/19/35/500751935.db2.gz CKVRAMAWGIDMRP-BZSNNMDCSA-N 2 1 356.432 3.334 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438582173 500805078 /nfs/dbraw/zinc/80/50/78/500805078.db2.gz SPVOCIQEVFYPRC-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438582173 500805080 /nfs/dbraw/zinc/80/50/80/500805080.db2.gz SPVOCIQEVFYPRC-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CCC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438582173 500805083 /nfs/dbraw/zinc/80/50/83/500805083.db2.gz SPVOCIQEVFYPRC-FPOVZHCZSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421076 506218169 /nfs/dbraw/zinc/21/81/69/506218169.db2.gz VHKZFNHKZDJXAL-ROUUACIJSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421076 506218171 /nfs/dbraw/zinc/21/81/71/506218171.db2.gz VHKZFNHKZDJXAL-ROUUACIJSA-N 2 1 365.477 3.349 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1-c1nccs1 ZINC000444290752 500830170 /nfs/dbraw/zinc/83/01/70/500830170.db2.gz RNHVHKTVNIBAJW-UHFFFAOYSA-N 2 1 360.527 3.007 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438886175 500831654 /nfs/dbraw/zinc/83/16/54/500831654.db2.gz MGJKCBMYMGUAKS-LPHOPBHVSA-N 2 1 370.541 3.055 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1sccc1C ZINC000438909481 500834190 /nfs/dbraw/zinc/83/41/90/500834190.db2.gz DESFMTGRTNOXPC-FGTMMUONSA-N 2 1 363.571 3.035 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000438961943 500840634 /nfs/dbraw/zinc/84/06/34/500840634.db2.gz QFAMWHTUTFWUDH-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000438961946 500840718 /nfs/dbraw/zinc/84/07/18/500840718.db2.gz QFAMWHTUTFWUDH-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000434614519 500865637 /nfs/dbraw/zinc/86/56/37/500865637.db2.gz ABMWSBCLFJZIIC-NRFANRHFSA-N 2 1 361.505 3.198 20 0 FGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000434782003 500894104 /nfs/dbraw/zinc/89/41/04/500894104.db2.gz HKEYJDSHSNYJRA-NSISKUIASA-N 2 1 357.542 3.298 20 0 FGADMP COc1ccc(C2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)cc1F ZINC000444805640 500903800 /nfs/dbraw/zinc/90/38/00/500903800.db2.gz KXDSZGUNXZNYBM-UHFFFAOYSA-N 2 1 350.478 3.306 20 0 FGADMP CC[NH+]1CCN([C@H](C)CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449079780 500919777 /nfs/dbraw/zinc/91/97/77/500919777.db2.gz PXUUIJZSSCYCSJ-LJQANCHMSA-N 2 1 366.638 3.281 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c2)cc1 ZINC000435372919 500961646 /nfs/dbraw/zinc/96/16/46/500961646.db2.gz LKYIFBLTFOJAAV-UHFFFAOYSA-N 2 1 355.482 3.364 20 0 FGADMP C[C@H]1C[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1[NH3+] ZINC000435377424 500963201 /nfs/dbraw/zinc/96/32/01/500963201.db2.gz BHCNHDJQNWBMTA-SUMWQHHRSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[C@H]1[NH3+] ZINC000435377424 500963203 /nfs/dbraw/zinc/96/32/03/500963203.db2.gz BHCNHDJQNWBMTA-SUMWQHHRSA-N 2 1 352.404 3.119 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OCc1ccccc1 ZINC000435379198 500963731 /nfs/dbraw/zinc/96/37/31/500963731.db2.gz LNDRSDPNURCVAN-SLFFLAALSA-N 2 1 352.478 3.443 20 0 FGADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435386614 500965002 /nfs/dbraw/zinc/96/50/02/500965002.db2.gz XPHKXPOJYSIEJY-ILWGZMRPSA-N 2 1 373.504 3.163 20 0 FGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(F)(F)F ZINC000435394724 500967756 /nfs/dbraw/zinc/96/77/56/500967756.db2.gz KZSBMJKJUUIUHR-YIONKMFJSA-N 2 1 358.404 3.351 20 0 FGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OCC(F)(F)F ZINC000435394724 500967759 /nfs/dbraw/zinc/96/77/59/500967759.db2.gz KZSBMJKJUUIUHR-YIONKMFJSA-N 2 1 358.404 3.351 20 0 FGADMP CCn1ccnc1C[N@@H+](C[C@@H](C)CC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435425250 500972777 /nfs/dbraw/zinc/97/27/77/500972777.db2.gz YIMFFLUKKAQTOO-AZUAARDMSA-N 2 1 374.573 3.300 20 0 FGADMP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440104428 500975154 /nfs/dbraw/zinc/97/51/54/500975154.db2.gz LRYQVWJAIXSXJW-QFIPXVFZSA-N 2 1 369.553 3.217 20 0 FGADMP CCOc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Br)c1OC ZINC000435434610 500975871 /nfs/dbraw/zinc/97/58/71/500975871.db2.gz YUPDSWKXNYGTAZ-CQSZACIVSA-N 2 1 371.319 3.430 20 0 FGADMP C[C@@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cc(F)cc(F)c1 ZINC000449325035 500978061 /nfs/dbraw/zinc/97/80/61/500978061.db2.gz JGMJPYLWFQQAHZ-ODMLGRRDSA-N 2 1 363.496 3.311 20 0 FGADMP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cc(F)cc(F)c1 ZINC000449325035 500978063 /nfs/dbraw/zinc/97/80/63/500978063.db2.gz JGMJPYLWFQQAHZ-ODMLGRRDSA-N 2 1 363.496 3.311 20 0 FGADMP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cc(F)cc(F)c1 ZINC000449325035 500978067 /nfs/dbraw/zinc/97/80/67/500978067.db2.gz JGMJPYLWFQQAHZ-ODMLGRRDSA-N 2 1 363.496 3.311 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435629451 501004824 /nfs/dbraw/zinc/00/48/24/501004824.db2.gz XLLZEVAJHLKWSA-PKOBYXMFSA-N 2 1 361.530 3.117 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435629451 501004826 /nfs/dbraw/zinc/00/48/26/501004826.db2.gz XLLZEVAJHLKWSA-PKOBYXMFSA-N 2 1 361.530 3.117 20 0 FGADMP CCC[N@H+](CCC(=O)OC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440452225 501009744 /nfs/dbraw/zinc/00/97/44/501009744.db2.gz NHPJVHZSRHARBU-UHFFFAOYSA-N 2 1 362.518 3.116 20 0 FGADMP CCC[N@@H+](CCC(=O)OC(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000440452225 501009746 /nfs/dbraw/zinc/00/97/46/501009746.db2.gz NHPJVHZSRHARBU-UHFFFAOYSA-N 2 1 362.518 3.116 20 0 FGADMP COc1ccccc1OCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687819 501011930 /nfs/dbraw/zinc/01/19/30/501011930.db2.gz JEHRQFZORUNAKM-SFHVURJKSA-N 2 1 373.522 3.175 20 0 FGADMP COc1ccccc1OCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687819 501011932 /nfs/dbraw/zinc/01/19/32/501011932.db2.gz JEHRQFZORUNAKM-SFHVURJKSA-N 2 1 373.522 3.175 20 0 FGADMP CCn1ccnc1C[N@H+](CCCOc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696278 501013122 /nfs/dbraw/zinc/01/31/22/501013122.db2.gz PDGOWNRFZKAYRY-FQEVSTJZSA-N 2 1 368.525 3.316 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCOc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696278 501013127 /nfs/dbraw/zinc/01/31/27/501013127.db2.gz PDGOWNRFZKAYRY-FQEVSTJZSA-N 2 1 368.525 3.316 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NCc1ccccc1 ZINC000435692810 501013412 /nfs/dbraw/zinc/01/34/12/501013412.db2.gz KIWAXMQYCVNXJR-IBGZPJMESA-N 2 1 369.534 3.009 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)NCc1ccccc1 ZINC000435692810 501013414 /nfs/dbraw/zinc/01/34/14/501013414.db2.gz KIWAXMQYCVNXJR-IBGZPJMESA-N 2 1 369.534 3.009 20 0 FGADMP CN(CC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435693955 501013429 /nfs/dbraw/zinc/01/34/29/501013429.db2.gz KBDSAOYJICBLMZ-GOSISDBHSA-N 2 1 356.539 3.224 20 0 FGADMP CN(CC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435693955 501013431 /nfs/dbraw/zinc/01/34/31/501013431.db2.gz KBDSAOYJICBLMZ-GOSISDBHSA-N 2 1 356.539 3.224 20 0 FGADMP COc1cccc(CCC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435696656 501013510 /nfs/dbraw/zinc/01/35/10/501013510.db2.gz UVVWYVWZRYPQIL-HXUWFJFHSA-N 2 1 368.525 3.006 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(CC)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538763 501020929 /nfs/dbraw/zinc/02/09/29/501020929.db2.gz RPOMDJASFIBYIM-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538763 501020932 /nfs/dbraw/zinc/02/09/32/501020932.db2.gz RPOMDJASFIBYIM-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538763 501020937 /nfs/dbraw/zinc/02/09/37/501020937.db2.gz RPOMDJASFIBYIM-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H]([C@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200282 501102363 /nfs/dbraw/zinc/10/23/63/501102363.db2.gz CCLDNAOGIFKIBI-QGJCJDORSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1)C[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000441200283 501102727 /nfs/dbraw/zinc/10/27/27/501102727.db2.gz CCLDNAOGIFKIBI-QMCAAQAGSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@H](c1ccc(C[NH+]2CCN(Cc3ncc[nH]3)CC2)cc1)C(F)(F)F ZINC000450410365 501114750 /nfs/dbraw/zinc/11/47/50/501114750.db2.gz YTBQGSRGLUHWSK-CQSZACIVSA-N 2 1 352.404 3.393 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(Br)c2)CC1(C)C ZINC000441352138 501125713 /nfs/dbraw/zinc/12/57/13/501125713.db2.gz KCLVDDBIJWMSTP-UHFFFAOYSA-N 2 1 374.754 3.218 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441438826 501139803 /nfs/dbraw/zinc/13/98/03/501139803.db2.gz RYRYEVISRSSYGB-NRSPTQNISA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000441438826 501139805 /nfs/dbraw/zinc/13/98/05/501139805.db2.gz RYRYEVISRSSYGB-NRSPTQNISA-N 2 1 355.526 3.156 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](COC)C3CCCC3)cc2)CC1 ZINC000446746073 501160214 /nfs/dbraw/zinc/16/02/14/501160214.db2.gz VYHUMNXVPYEBRU-QFIPXVFZSA-N 2 1 359.558 3.119 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@H]3C2)cc1 ZINC000446882386 501176894 /nfs/dbraw/zinc/17/68/94/501176894.db2.gz DHYXHFHSMXTDSY-ACIOBRDBSA-N 3 1 353.554 3.361 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000446900742 501179349 /nfs/dbraw/zinc/17/93/49/501179349.db2.gz QYOXIDMUDQFPEO-UHFFFAOYSA-N 2 1 373.522 3.019 20 0 FGADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967736 501187790 /nfs/dbraw/zinc/18/77/90/501187790.db2.gz UHCKDRINBAXXPC-MAUKXSAKSA-N 2 1 357.523 3.375 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967736 501187795 /nfs/dbraw/zinc/18/77/95/501187795.db2.gz UHCKDRINBAXXPC-MAUKXSAKSA-N 2 1 357.523 3.375 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc1F ZINC000450301226 501229410 /nfs/dbraw/zinc/22/94/10/501229410.db2.gz SXZZVUHKQQSYTF-FQEVSTJZSA-N 2 1 361.505 3.301 20 0 FGADMP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4ccc(OC(C)C)cc43)C2)CC1 ZINC000450317991 501232554 /nfs/dbraw/zinc/23/25/54/501232554.db2.gz METPFWILLAGQBJ-GOSISDBHSA-N 2 1 368.525 3.238 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(F)c(I)c1 ZINC000453076918 501264076 /nfs/dbraw/zinc/26/40/76/501264076.db2.gz AMDWYOBCOAIAPJ-SNVBAGLBSA-N 2 1 373.213 3.286 20 0 FGADMP CCC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108010 501270980 /nfs/dbraw/zinc/27/09/80/501270980.db2.gz JZKDOEKQBDLUQQ-SFTDATJTSA-N 2 1 357.542 3.442 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H](C3CC3)C3CCC3)c2)C1 ZINC000453109350 501271211 /nfs/dbraw/zinc/27/12/11/501271211.db2.gz MHVYLSILEQZIHO-NHCUHLMSSA-N 2 1 355.526 3.052 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453148061 501279106 /nfs/dbraw/zinc/27/91/06/501279106.db2.gz QRPIFLDPVXDVHJ-ACRUOGEOSA-N 2 1 365.525 3.188 20 0 FGADMP CC[C@H](CC(F)F)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457670608 501283167 /nfs/dbraw/zinc/28/31/67/501283167.db2.gz NMORBYAUCRIERJ-NXHRZFHOSA-N 2 1 373.532 3.463 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453218860 501293075 /nfs/dbraw/zinc/29/30/75/501293075.db2.gz NUUCYZQLIJQSQK-QSUVIHHLSA-N 2 1 356.510 3.361 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000455477665 501313691 /nfs/dbraw/zinc/31/36/91/501313691.db2.gz UMKKZXUZJVIRAE-ZWKOTPCHSA-N 2 1 369.513 3.270 20 0 FGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528080 501313832 /nfs/dbraw/zinc/31/38/32/501313832.db2.gz KXZYXGUHPAKSPQ-RTWAWAEBSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528080 501313835 /nfs/dbraw/zinc/31/38/35/501313835.db2.gz KXZYXGUHPAKSPQ-RTWAWAEBSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528080 501313837 /nfs/dbraw/zinc/31/38/37/501313837.db2.gz KXZYXGUHPAKSPQ-RTWAWAEBSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528080 501313841 /nfs/dbraw/zinc/31/38/41/501313841.db2.gz KXZYXGUHPAKSPQ-RTWAWAEBSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528080 501313843 /nfs/dbraw/zinc/31/38/43/501313843.db2.gz KXZYXGUHPAKSPQ-RTWAWAEBSA-N 2 1 351.579 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529833 501314542 /nfs/dbraw/zinc/31/45/42/501314542.db2.gz OCSWDLXKSBFUCY-PUHATCMVSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529833 501314544 /nfs/dbraw/zinc/31/45/44/501314544.db2.gz OCSWDLXKSBFUCY-PUHATCMVSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529833 501314546 /nfs/dbraw/zinc/31/45/46/501314546.db2.gz OCSWDLXKSBFUCY-PUHATCMVSA-N 2 1 369.553 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000451529833 501314548 /nfs/dbraw/zinc/31/45/48/501314548.db2.gz OCSWDLXKSBFUCY-PUHATCMVSA-N 2 1 369.553 3.056 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)[C@H](C)C1 ZINC000453361084 501320205 /nfs/dbraw/zinc/32/02/05/501320205.db2.gz QGTGXOKUTMKJAM-AYWYSENESA-N 2 1 361.530 3.028 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000455626465 501350505 /nfs/dbraw/zinc/35/05/05/501350505.db2.gz YKNDBIFRXBMCGA-MOPGFXCFSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000455626465 501350509 /nfs/dbraw/zinc/35/05/09/501350509.db2.gz YKNDBIFRXBMCGA-MOPGFXCFSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCC[N@@H+](C)C2CC2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000455626465 501350513 /nfs/dbraw/zinc/35/05/13/501350513.db2.gz YKNDBIFRXBMCGA-MOPGFXCFSA-N 2 1 372.557 3.165 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cc2c(cc1Br)OCO2)C1CC1 ZINC000453601666 501358615 /nfs/dbraw/zinc/35/86/15/501358615.db2.gz VCQKNLIBSARFPV-UHFFFAOYSA-N 2 1 355.276 3.142 20 0 FGADMP Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)c1C ZINC000607736054 506248408 /nfs/dbraw/zinc/24/84/08/506248408.db2.gz GTYWONFMAJNLIK-NRFANRHFSA-N 2 1 355.526 3.183 20 0 FGADMP CCC(CC)(CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458377974 501431287 /nfs/dbraw/zinc/43/12/87/501431287.db2.gz RRXBIHHTMLZAKJ-YZGWKJHDSA-N 2 1 372.557 3.242 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458449827 501446773 /nfs/dbraw/zinc/44/67/73/501446773.db2.gz YVVUVBOEWPWSAP-SFHVURJKSA-N 2 1 366.575 3.086 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+](C2CC2)C1 ZINC000452177162 501454219 /nfs/dbraw/zinc/45/42/19/501454219.db2.gz WSAMOBNUFWSCHP-SFHVURJKSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000456353605 501507774 /nfs/dbraw/zinc/50/77/74/501507774.db2.gz ZQFDWLCNTVRXJX-IBGZPJMESA-N 2 1 365.521 3.342 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000588276173 506257580 /nfs/dbraw/zinc/25/75/80/506257580.db2.gz KOXHLMRZTGLKNY-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000588276173 506257585 /nfs/dbraw/zinc/25/75/85/506257585.db2.gz KOXHLMRZTGLKNY-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C(C)C ZINC000588276173 506257590 /nfs/dbraw/zinc/25/75/90/506257590.db2.gz KOXHLMRZTGLKNY-IBGZPJMESA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363554 501639605 /nfs/dbraw/zinc/63/96/05/501639605.db2.gz RJDYXVXNOPAGEW-KKLQWCBXSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363554 501639606 /nfs/dbraw/zinc/63/96/06/501639606.db2.gz RJDYXVXNOPAGEW-KKLQWCBXSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363554 501639607 /nfs/dbraw/zinc/63/96/07/501639607.db2.gz RJDYXVXNOPAGEW-KKLQWCBXSA-N 2 1 369.553 3.360 20 0 FGADMP OCCOCC[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000459525398 501669712 /nfs/dbraw/zinc/66/97/12/501669712.db2.gz MXPZQUHGIZNQFB-JOCHJYFZSA-N 2 1 360.542 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000459559894 501676453 /nfs/dbraw/zinc/67/64/53/501676453.db2.gz NBSQOIMSZIALCA-QRICJDHISA-N 2 1 372.553 3.380 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000459559894 501676454 /nfs/dbraw/zinc/67/64/54/501676454.db2.gz NBSQOIMSZIALCA-QRICJDHISA-N 2 1 372.553 3.380 20 0 FGADMP COc1cccc2c1C[C@H]([NH2+]Cc1nc3c(s1)C[N@@H+](C(C)C)CC3)C2 ZINC000459704129 501701079 /nfs/dbraw/zinc/70/10/79/501701079.db2.gz PKEULCOWQDUIIV-OAHLLOKOSA-N 2 1 357.523 3.175 20 0 FGADMP COc1cccc2c1C[C@H]([NH2+]Cc1nc3c(s1)C[N@H+](C(C)C)CC3)C2 ZINC000459704129 501701080 /nfs/dbraw/zinc/70/10/80/501701080.db2.gz PKEULCOWQDUIIV-OAHLLOKOSA-N 2 1 357.523 3.175 20 0 FGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727080 501704870 /nfs/dbraw/zinc/70/48/70/501704870.db2.gz CEKGIVZFCPWLDN-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OCc1cccnc1 ZINC000459736673 501706322 /nfs/dbraw/zinc/70/63/22/501706322.db2.gz QJVGJTYKFGZDEO-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460124895 501732813 /nfs/dbraw/zinc/73/28/13/501732813.db2.gz NIBXTIFXCMGQHW-NRFANRHFSA-N 2 1 371.569 3.479 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000460164913 501746108 /nfs/dbraw/zinc/74/61/08/501746108.db2.gz NIZDBRGURMHHJW-SFHVURJKSA-N 2 1 363.550 3.125 20 0 FGADMP CC[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCCC[N@H+]3C)c(C)c2)CC1 ZINC000477645645 501748655 /nfs/dbraw/zinc/74/86/55/501748655.db2.gz PHIXSAJJBRTNDT-LJQANCHMSA-N 2 1 372.557 3.340 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000460178189 501750341 /nfs/dbraw/zinc/75/03/41/501750341.db2.gz VEFURZXGJUQMCS-IBGZPJMESA-N 2 1 374.573 3.113 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC2CCC2)cc1 ZINC000463631930 501779961 /nfs/dbraw/zinc/77/99/61/501779961.db2.gz WICNQLXOYSUWLP-IBGZPJMESA-N 2 1 373.541 3.106 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000467395466 501784038 /nfs/dbraw/zinc/78/40/38/501784038.db2.gz TVLDMSGZSJTPFP-PMOQBDJRSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000467395466 501784043 /nfs/dbraw/zinc/78/40/43/501784043.db2.gz TVLDMSGZSJTPFP-PMOQBDJRSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000467456359 501798865 /nfs/dbraw/zinc/79/88/65/501798865.db2.gz JWVDDELBJROHKS-HDICACEKSA-N 2 1 362.562 3.484 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378492 501809271 /nfs/dbraw/zinc/80/92/71/501809271.db2.gz CIHPSSLPOCSCEB-IFMALSPDSA-N 2 1 355.526 3.228 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NCC[N@@H+]2CC=CCC2)CCCC1)c1ccccc1 ZINC000474370719 501809558 /nfs/dbraw/zinc/80/95/58/501809558.db2.gz WLTLQEBQPISVLE-LJQANCHMSA-N 2 1 370.541 3.211 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000485417636 501814929 /nfs/dbraw/zinc/81/49/29/501814929.db2.gz WZKAOBYRWQLWRR-CNNODRBYSA-N 2 1 365.521 3.192 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000485417636 501814935 /nfs/dbraw/zinc/81/49/35/501814935.db2.gz WZKAOBYRWQLWRR-CNNODRBYSA-N 2 1 365.521 3.192 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000485425748 501818069 /nfs/dbraw/zinc/81/80/69/501818069.db2.gz IWOSAGCGKLODNA-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000485425748 501818070 /nfs/dbraw/zinc/81/80/70/501818070.db2.gz IWOSAGCGKLODNA-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000485425748 501818071 /nfs/dbraw/zinc/81/80/71/501818071.db2.gz IWOSAGCGKLODNA-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000485427343 501819003 /nfs/dbraw/zinc/81/90/03/501819003.db2.gz CFYMVQLLNPXIRP-KSZLIROESA-N 2 1 367.603 3.116 20 0 FGADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479897 501833047 /nfs/dbraw/zinc/83/30/47/501833047.db2.gz WZZYCIHVWHPIKD-OALUTQOASA-N 2 1 357.542 3.278 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460652959 501886471 /nfs/dbraw/zinc/88/64/71/501886471.db2.gz XQDUFRQYZIHUKV-KSZLIROESA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460652959 501886474 /nfs/dbraw/zinc/88/64/74/501886474.db2.gz XQDUFRQYZIHUKV-KSZLIROESA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460652959 501886478 /nfs/dbraw/zinc/88/64/78/501886478.db2.gz XQDUFRQYZIHUKV-KSZLIROESA-N 2 1 352.567 3.059 20 0 FGADMP Cc1ccc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000471019570 501892524 /nfs/dbraw/zinc/89/25/24/501892524.db2.gz BLHNVHPOTIFQTR-IBGZPJMESA-N 2 1 357.542 3.082 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000467984557 501920896 /nfs/dbraw/zinc/92/08/96/501920896.db2.gz OXTNLQJQAOZEEU-GJZGRUSLSA-N 2 1 350.532 3.186 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000467985604 501921689 /nfs/dbraw/zinc/92/16/89/501921689.db2.gz SUEIWOLSEIVDLA-SOUVJXGZSA-N 2 1 350.532 3.186 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000467985604 501921693 /nfs/dbraw/zinc/92/16/93/501921693.db2.gz SUEIWOLSEIVDLA-SOUVJXGZSA-N 2 1 350.532 3.186 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(-c2ccccc2Cl)n1 ZINC000467999175 501925656 /nfs/dbraw/zinc/92/56/56/501925656.db2.gz XOGBXZNMHUPVFL-AWEZNQCLSA-N 2 1 355.873 3.289 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048127 501940223 /nfs/dbraw/zinc/94/02/23/501940223.db2.gz DYGIRSFIZLIXTO-QUCCMNQESA-N 2 1 372.557 3.338 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327706 501956102 /nfs/dbraw/zinc/95/61/02/501956102.db2.gz FJLWVSDBGJMJJI-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464327706 501956106 /nfs/dbraw/zinc/95/61/06/501956106.db2.gz FJLWVSDBGJMJJI-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464327706 501956109 /nfs/dbraw/zinc/95/61/09/501956109.db2.gz FJLWVSDBGJMJJI-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474798366 501956266 /nfs/dbraw/zinc/95/62/66/501956266.db2.gz KPRKDQJALZGCHM-DNVFCKCGSA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000474798366 501956268 /nfs/dbraw/zinc/95/62/68/501956268.db2.gz KPRKDQJALZGCHM-DNVFCKCGSA-N 2 1 368.521 3.414 20 0 FGADMP C[N@H+](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000485836815 501956616 /nfs/dbraw/zinc/95/66/16/501956616.db2.gz YKGFDNAWACXDJF-UHFFFAOYSA-N 2 1 351.372 3.235 20 0 FGADMP C[N@@H+](CC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)Cc1ccccc1 ZINC000485836815 501956621 /nfs/dbraw/zinc/95/66/21/501956621.db2.gz YKGFDNAWACXDJF-UHFFFAOYSA-N 2 1 351.372 3.235 20 0 FGADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000471216764 501958833 /nfs/dbraw/zinc/95/88/33/501958833.db2.gz RRTITAWTJCUXPX-LVCYWYKZSA-N 2 1 359.558 3.367 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)Nc1ccnn1C(C)C ZINC000482146901 501988854 /nfs/dbraw/zinc/98/88/54/501988854.db2.gz PXKALRSFMWJNAP-OKZBNKHCSA-N 2 1 363.550 3.281 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000461245611 502049946 /nfs/dbraw/zinc/04/99/46/502049946.db2.gz UHDLAYSMFQBYOK-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409793 502051004 /nfs/dbraw/zinc/05/10/04/502051004.db2.gz WELOTXFCOCKFAY-FQEVSTJZSA-N 2 1 370.541 3.330 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409793 502051008 /nfs/dbraw/zinc/05/10/08/502051008.db2.gz WELOTXFCOCKFAY-FQEVSTJZSA-N 2 1 370.541 3.330 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409793 502051013 /nfs/dbraw/zinc/05/10/13/502051013.db2.gz WELOTXFCOCKFAY-FQEVSTJZSA-N 2 1 370.541 3.330 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409793 502051017 /nfs/dbraw/zinc/05/10/17/502051017.db2.gz WELOTXFCOCKFAY-FQEVSTJZSA-N 2 1 370.541 3.330 20 0 FGADMP Cc1cccc([C@H]2CC[N@H+](CC(=O)NC[C@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141658 502077611 /nfs/dbraw/zinc/07/76/11/502077611.db2.gz VRHOBGDYRAEYKL-FCHUYYIVSA-N 2 1 365.521 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478759811 502078009 /nfs/dbraw/zinc/07/80/09/502078009.db2.gz JIDXUPPWGGRBAA-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468532961 502094985 /nfs/dbraw/zinc/09/49/85/502094985.db2.gz RPYRYDVBDOAUOQ-QUCCMNQESA-N 2 1 360.546 3.195 20 0 FGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468556868 502104924 /nfs/dbraw/zinc/10/49/24/502104924.db2.gz WXNKPDJFUFLOSJ-AVRDEDQJSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468556868 502104927 /nfs/dbraw/zinc/10/49/27/502104927.db2.gz WXNKPDJFUFLOSJ-AVRDEDQJSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468556871 502105187 /nfs/dbraw/zinc/10/51/87/502105187.db2.gz WXNKPDJFUFLOSJ-XMSQKQJNSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468556871 502105193 /nfs/dbraw/zinc/10/51/93/502105193.db2.gz WXNKPDJFUFLOSJ-XMSQKQJNSA-N 2 1 356.485 3.373 20 0 FGADMP O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468568830 502109574 /nfs/dbraw/zinc/10/95/74/502109574.db2.gz YTHUWDANCVSQRS-UHFFFAOYSA-N 2 1 372.472 3.035 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000475355880 502146492 /nfs/dbraw/zinc/14/64/92/502146492.db2.gz XBHUNKWKMRUQSV-KURKYZTESA-N 2 1 371.525 3.304 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833953 502148797 /nfs/dbraw/zinc/14/87/97/502148797.db2.gz DCPIPHHAXPWTIM-YADHBBJMSA-N 2 1 365.521 3.218 20 0 FGADMP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)ccc1F ZINC000486439673 502154555 /nfs/dbraw/zinc/15/45/55/502154555.db2.gz YPVRMCUEPGBKSY-GOSISDBHSA-N 2 1 364.509 3.268 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000479071688 502154898 /nfs/dbraw/zinc/15/48/98/502154898.db2.gz SYANPPBZVLVRJW-PZJWPPBQSA-N 2 1 368.525 3.076 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@H]2CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955441 502155805 /nfs/dbraw/zinc/15/58/05/502155805.db2.gz UNLPVGYBLCGONA-ZVDOUQERSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955441 502155812 /nfs/dbraw/zinc/15/58/12/502155812.db2.gz UNLPVGYBLCGONA-ZVDOUQERSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000464955441 502155816 /nfs/dbraw/zinc/15/58/16/502155816.db2.gz UNLPVGYBLCGONA-ZVDOUQERSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725271 502162738 /nfs/dbraw/zinc/16/27/38/502162738.db2.gz VGLYHMYRHLMZEU-QRVBRYPASA-N 2 1 351.579 3.118 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475507471 502196203 /nfs/dbraw/zinc/19/62/03/502196203.db2.gz MEEXDYGQQUQHPY-QGZVFWFLSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCC[C@@H](N2CCC([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2)C1 ZINC000468859302 502209421 /nfs/dbraw/zinc/20/94/21/502209421.db2.gz DPAARHCMWDKJTQ-GDBMZVCRSA-N 2 1 370.584 3.284 20 0 FGADMP O=C(C[N@H+]1CCCC[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000482918492 502216041 /nfs/dbraw/zinc/21/60/41/502216041.db2.gz SGZCMZGBMOXXRD-FQEVSTJZSA-N 2 1 359.489 3.096 20 0 FGADMP O=C(C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)NC1CC[NH+](C2CC2)CC1 ZINC000482918492 502216047 /nfs/dbraw/zinc/21/60/47/502216047.db2.gz SGZCMZGBMOXXRD-FQEVSTJZSA-N 2 1 359.489 3.096 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216815 502216864 /nfs/dbraw/zinc/21/68/64/502216864.db2.gz VYSAPOWRKDGDGM-QUCCMNQESA-N 2 1 366.594 3.164 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221498 502219299 /nfs/dbraw/zinc/21/92/99/502219299.db2.gz PWRDVOYMIUGVBC-PZJWPPBQSA-N 2 1 374.573 3.129 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000472089874 502227572 /nfs/dbraw/zinc/22/75/72/502227572.db2.gz XFZQUFPMCJCLKH-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCCN1Cc1ccccc1 ZINC000468915304 502228413 /nfs/dbraw/zinc/22/84/13/502228413.db2.gz KKBNFMHKNPBDNA-YADHBBJMSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468915304 502228420 /nfs/dbraw/zinc/22/84/20/502228420.db2.gz KKBNFMHKNPBDNA-YADHBBJMSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468915304 502228424 /nfs/dbraw/zinc/22/84/24/502228424.db2.gz KKBNFMHKNPBDNA-YADHBBJMSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468915304 502228431 /nfs/dbraw/zinc/22/84/31/502228431.db2.gz KKBNFMHKNPBDNA-YADHBBJMSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468915304 502228436 /nfs/dbraw/zinc/22/84/36/502228436.db2.gz KKBNFMHKNPBDNA-YADHBBJMSA-N 2 1 369.553 3.422 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000472110107 502235145 /nfs/dbraw/zinc/23/51/45/502235145.db2.gz HMEBYFWBMLPWCT-PZJWPPBQSA-N 2 1 372.557 3.339 20 0 FGADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000472142165 502246101 /nfs/dbraw/zinc/24/61/01/502246101.db2.gz LPHPWBKSFGZLQZ-FQEVSTJZSA-N 2 1 357.542 3.213 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000465431616 502258852 /nfs/dbraw/zinc/25/88/52/502258852.db2.gz KKWJZMHEXUYPIZ-SFTDATJTSA-N 2 1 374.573 3.368 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749180 502279270 /nfs/dbraw/zinc/27/92/70/502279270.db2.gz PMKINEQPORAEPZ-HSZRJFAPSA-N 2 1 369.553 3.423 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749180 502279275 /nfs/dbraw/zinc/27/92/75/502279275.db2.gz PMKINEQPORAEPZ-HSZRJFAPSA-N 2 1 369.553 3.423 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)NC1CCCC1 ZINC000475749180 502279280 /nfs/dbraw/zinc/27/92/80/502279280.db2.gz PMKINEQPORAEPZ-HSZRJFAPSA-N 2 1 369.553 3.423 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261065 502288393 /nfs/dbraw/zinc/28/83/93/502288393.db2.gz BVNDHETXBGPUND-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2c(C)cccc2C)C1 ZINC000472261065 502288398 /nfs/dbraw/zinc/28/83/98/502288398.db2.gz BVNDHETXBGPUND-MOPGFXCFSA-N 2 1 361.530 3.063 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@H+]2CCCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000479659424 502334416 /nfs/dbraw/zinc/33/44/16/502334416.db2.gz ALIXDDRXQZCFPB-HXUWFJFHSA-N 2 1 373.541 3.213 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+]1C ZINC000487039312 502337434 /nfs/dbraw/zinc/33/74/34/502337434.db2.gz BEHJCHCQUDHNMK-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688620 506308569 /nfs/dbraw/zinc/30/85/69/506308569.db2.gz TVWCYJKZZASFRJ-UNMCSNQZSA-N 2 1 354.494 3.229 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688620 506308578 /nfs/dbraw/zinc/30/85/78/506308578.db2.gz TVWCYJKZZASFRJ-UNMCSNQZSA-N 2 1 354.494 3.229 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000465756193 502372727 /nfs/dbraw/zinc/37/27/27/502372727.db2.gz MOZODTOJJTYCKY-XLIONFOSSA-N 2 1 369.513 3.106 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000465756193 502372733 /nfs/dbraw/zinc/37/27/33/502372733.db2.gz MOZODTOJJTYCKY-XLIONFOSSA-N 2 1 369.513 3.106 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000465756194 502373156 /nfs/dbraw/zinc/37/31/56/502373156.db2.gz MOZODTOJJTYCKY-YLJYHZDGSA-N 2 1 369.513 3.106 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000465756194 502373163 /nfs/dbraw/zinc/37/31/63/502373163.db2.gz MOZODTOJJTYCKY-YLJYHZDGSA-N 2 1 369.513 3.106 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000462269352 502374825 /nfs/dbraw/zinc/37/48/25/502374825.db2.gz FQNQAHDKZBUINN-UHFFFAOYSA-N 2 1 373.545 3.008 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000476141258 502396617 /nfs/dbraw/zinc/39/66/17/502396617.db2.gz IBCALWKTOWYQAW-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCCC1 ZINC000476141258 502396622 /nfs/dbraw/zinc/39/66/22/502396622.db2.gz IBCALWKTOWYQAW-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000483472908 502401824 /nfs/dbraw/zinc/40/18/24/502401824.db2.gz KNBJENFQWWZKGG-BVYCBKJFSA-N 2 1 369.553 3.230 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427055 502412455 /nfs/dbraw/zinc/41/24/55/502412455.db2.gz XKSHAYDOQGFURA-RTWAWAEBSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427055 502412456 /nfs/dbraw/zinc/41/24/56/502412456.db2.gz XKSHAYDOQGFURA-RTWAWAEBSA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000469427055 502412458 /nfs/dbraw/zinc/41/24/58/502412458.db2.gz XKSHAYDOQGFURA-RTWAWAEBSA-N 2 1 374.573 3.174 20 0 FGADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000462411149 502426930 /nfs/dbraw/zinc/42/69/30/502426930.db2.gz WHAJSKPQTIGCFB-RTWAWAEBSA-N 2 1 369.534 3.029 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N[C@H](c1cccs1)c1ccccc1 ZINC000462411147 502426973 /nfs/dbraw/zinc/42/69/73/502426973.db2.gz WHAJSKPQTIGCFB-LEWJYISDSA-N 2 1 369.534 3.029 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561600 502431177 /nfs/dbraw/zinc/43/11/77/502431177.db2.gz NQSRSPWYICVXMQ-FDFHNCONSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561600 502431178 /nfs/dbraw/zinc/43/11/78/502431178.db2.gz NQSRSPWYICVXMQ-FDFHNCONSA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561600 502431181 /nfs/dbraw/zinc/43/11/81/502431181.db2.gz NQSRSPWYICVXMQ-FDFHNCONSA-N 2 1 369.553 3.374 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1)[NH+](C)C ZINC000462423163 502432361 /nfs/dbraw/zinc/43/23/61/502432361.db2.gz WXAKUIOGKMTUQJ-UZLBHIALSA-N 2 1 370.497 3.000 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000487518988 502466237 /nfs/dbraw/zinc/46/62/37/502466237.db2.gz QLLRZXUUKNZOHV-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000487518988 502466240 /nfs/dbraw/zinc/46/62/40/502466240.db2.gz QLLRZXUUKNZOHV-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@@H](C)C1 ZINC000480080304 502468090 /nfs/dbraw/zinc/46/80/90/502468090.db2.gz BATCTUAGZLKHLL-BZSNNMDCSA-N 2 1 353.576 3.077 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483735687 502479690 /nfs/dbraw/zinc/47/96/90/502479690.db2.gz ZNQXIHUKIHILBU-SLFFLAALSA-N 2 1 366.594 3.257 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000473007253 502497116 /nfs/dbraw/zinc/49/71/16/502497116.db2.gz GIUQVJKCZCRUPG-CTNGQTDRSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000473007253 502497121 /nfs/dbraw/zinc/49/71/21/502497121.db2.gz GIUQVJKCZCRUPG-CTNGQTDRSA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000473007253 502497125 /nfs/dbraw/zinc/49/71/25/502497125.db2.gz GIUQVJKCZCRUPG-CTNGQTDRSA-N 2 1 374.573 3.413 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000483806063 502498234 /nfs/dbraw/zinc/49/82/34/502498234.db2.gz JQMPGYTZSRTRLI-SESVDKBCSA-N 2 1 372.557 3.165 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710717 506317421 /nfs/dbraw/zinc/31/74/21/506317421.db2.gz KSHSRIXCEHDWBT-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)c1 ZINC000588710717 506317426 /nfs/dbraw/zinc/31/74/26/506317426.db2.gz KSHSRIXCEHDWBT-KDURUIRLSA-N 2 1 373.541 3.063 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483888044 502513756 /nfs/dbraw/zinc/51/37/56/502513756.db2.gz SWXHMWLEMBIISR-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000487733991 502516839 /nfs/dbraw/zinc/51/68/39/502516839.db2.gz FVOVYYJDILFXPQ-QGZVFWFLSA-N 2 1 359.514 3.220 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000480263890 502517330 /nfs/dbraw/zinc/51/73/30/502517330.db2.gz ZKKQAIVRQUVSEQ-UGKGYDQZSA-N 2 1 370.541 3.158 20 0 FGADMP O[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729558 502519564 /nfs/dbraw/zinc/51/95/64/502519564.db2.gz SRMQSDDMLKJSEZ-MSOLQXFVSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@@H](C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729558 502519571 /nfs/dbraw/zinc/51/95/71/502519571.db2.gz SRMQSDDMLKJSEZ-MSOLQXFVSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729558 502519579 /nfs/dbraw/zinc/51/95/79/502519579.db2.gz SRMQSDDMLKJSEZ-MSOLQXFVSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729558 502519582 /nfs/dbraw/zinc/51/95/82/502519582.db2.gz SRMQSDDMLKJSEZ-MSOLQXFVSA-N 2 1 356.432 3.288 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000473184583 502538892 /nfs/dbraw/zinc/53/88/92/502538892.db2.gz RQFIIXZKGYMKNW-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000473184583 502538899 /nfs/dbraw/zinc/53/88/99/502538899.db2.gz RQFIIXZKGYMKNW-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000473184583 502538904 /nfs/dbraw/zinc/53/89/04/502538904.db2.gz RQFIIXZKGYMKNW-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000466365954 502549209 /nfs/dbraw/zinc/54/92/09/502549209.db2.gz YVBNORHRROPQQU-MKWLTTDUSA-N 2 1 372.553 3.328 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1N1CCC(C[NH+](C)C)CC1 ZINC000473276712 502556531 /nfs/dbraw/zinc/55/65/31/502556531.db2.gz LOOCIFYIAFNVRB-HDICACEKSA-N 2 1 372.557 3.276 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000473314277 502564083 /nfs/dbraw/zinc/56/40/83/502564083.db2.gz IIIYPJIVOHMDNC-IBGZPJMESA-N 2 1 367.484 3.212 20 0 FGADMP COCC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H]1CCC[C@@H]1C ZINC000487964527 502582555 /nfs/dbraw/zinc/58/25/55/502582555.db2.gz UGLMPNILJGZNNL-ZAAXVRCTSA-N 2 1 359.514 3.151 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000469884060 502583637 /nfs/dbraw/zinc/58/36/37/502583637.db2.gz YHQCDOVDMVNNRR-RBOXIYTFSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(OC)c1 ZINC000469884060 502583639 /nfs/dbraw/zinc/58/36/39/502583639.db2.gz YHQCDOVDMVNNRR-RBOXIYTFSA-N 2 1 369.303 3.026 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000462815169 502585976 /nfs/dbraw/zinc/58/59/76/502585976.db2.gz HAWFTXXQIFTPTL-RZDIXWSQSA-N 2 1 367.331 3.396 20 0 FGADMP O[C@@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000484150964 502586054 /nfs/dbraw/zinc/58/60/54/502586054.db2.gz ZDALZVYAVGMQQS-DHIUTWEWSA-N 2 1 350.506 3.234 20 0 FGADMP O[C@@]1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000484150964 502586056 /nfs/dbraw/zinc/58/60/56/502586056.db2.gz ZDALZVYAVGMQQS-DHIUTWEWSA-N 2 1 350.506 3.234 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000480553627 502601336 /nfs/dbraw/zinc/60/13/36/502601336.db2.gz KXLKSGMJWBUGFK-LEWJYISDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000480553627 502601342 /nfs/dbraw/zinc/60/13/42/502601342.db2.gz KXLKSGMJWBUGFK-LEWJYISDSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@@H]1CCC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000480553627 502601345 /nfs/dbraw/zinc/60/13/45/502601345.db2.gz KXLKSGMJWBUGFK-LEWJYISDSA-N 2 1 369.553 3.422 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cc1)C1CC1 ZINC000462883206 502612962 /nfs/dbraw/zinc/61/29/62/502612962.db2.gz KIQKFGMLMCHWNC-UHFFFAOYSA-N 2 1 365.477 3.405 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616597 /nfs/dbraw/zinc/61/65/97/502616597.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616603 /nfs/dbraw/zinc/61/66/03/502616603.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616606 /nfs/dbraw/zinc/61/66/06/502616606.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616610 /nfs/dbraw/zinc/61/66/10/502616610.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616615 /nfs/dbraw/zinc/61/66/15/502616615.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616619 /nfs/dbraw/zinc/61/66/19/502616619.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000480601481 502616625 /nfs/dbraw/zinc/61/66/25/502616625.db2.gz AHOYPXWUOMNVDH-WOZUAGRISA-N 3 1 353.595 3.081 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988652 502619802 /nfs/dbraw/zinc/61/98/02/502619802.db2.gz DCMFKANISPEQRB-JKSUJKDBSA-N 2 1 371.447 3.068 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988652 502619809 /nfs/dbraw/zinc/61/98/09/502619809.db2.gz DCMFKANISPEQRB-JKSUJKDBSA-N 2 1 371.447 3.068 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000469998424 502625671 /nfs/dbraw/zinc/62/56/71/502625671.db2.gz GEJRJJWLPSWQDS-CQSZACIVSA-N 2 1 363.303 3.114 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000469998424 502625672 /nfs/dbraw/zinc/62/56/72/502625672.db2.gz GEJRJJWLPSWQDS-CQSZACIVSA-N 2 1 363.303 3.114 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CN1c1ccccc1F ZINC000462953836 502641391 /nfs/dbraw/zinc/64/13/91/502641391.db2.gz ZMIQLSGUOZBYOF-KRWDZBQOSA-N 2 1 359.489 3.318 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466718628 502652397 /nfs/dbraw/zinc/65/23/97/502652397.db2.gz UGZAVFZOPXKHNL-NRFANRHFSA-N 2 1 371.569 3.397 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466718628 502652398 /nfs/dbraw/zinc/65/23/98/502652398.db2.gz UGZAVFZOPXKHNL-NRFANRHFSA-N 2 1 371.569 3.397 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](CC(C)C)C2)CC1 ZINC000466718628 502652399 /nfs/dbraw/zinc/65/23/99/502652399.db2.gz UGZAVFZOPXKHNL-NRFANRHFSA-N 2 1 371.569 3.397 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000480769644 502666330 /nfs/dbraw/zinc/66/63/30/502666330.db2.gz IWXNLFUNABNBKC-SFHVURJKSA-N 2 1 358.530 3.416 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000480769644 502666335 /nfs/dbraw/zinc/66/63/35/502666335.db2.gz IWXNLFUNABNBKC-SFHVURJKSA-N 2 1 358.530 3.416 20 0 FGADMP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000488265639 502673324 /nfs/dbraw/zinc/67/33/24/502673324.db2.gz GXLMDDQFMBCOMH-QFIPXVFZSA-N 2 1 371.569 3.350 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463069120 502682146 /nfs/dbraw/zinc/68/21/46/502682146.db2.gz NVKJQGXAGITBQY-GIVPXCGWSA-N 2 1 363.505 3.435 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463069120 502682149 /nfs/dbraw/zinc/68/21/49/502682149.db2.gz NVKJQGXAGITBQY-GIVPXCGWSA-N 2 1 363.505 3.435 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000484613975 502683298 /nfs/dbraw/zinc/68/32/98/502683298.db2.gz CEMQYOAQUMDBAQ-WNRNVDISSA-N 2 1 364.534 3.128 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000480880876 502696490 /nfs/dbraw/zinc/69/64/90/502696490.db2.gz JOESEIVLOYILPE-SIKLNZKXSA-N 2 1 370.541 3.158 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463120502 502700794 /nfs/dbraw/zinc/70/07/94/502700794.db2.gz WNBUJTJSTNWARQ-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463120502 502700797 /nfs/dbraw/zinc/70/07/97/502700797.db2.gz WNBUJTJSTNWARQ-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000477217983 502710226 /nfs/dbraw/zinc/71/02/26/502710226.db2.gz FBXPORQPMFHYHQ-NRFANRHFSA-N 2 1 374.573 3.067 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247001 502735620 /nfs/dbraw/zinc/73/56/20/502735620.db2.gz LURODVKIDVLWOE-WSWWRLHASA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463247001 502735623 /nfs/dbraw/zinc/73/56/23/502735623.db2.gz LURODVKIDVLWOE-WSWWRLHASA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000470352616 502746402 /nfs/dbraw/zinc/74/64/02/502746402.db2.gz GOXMRBRFMOCVMZ-JTSKRJEESA-N 2 1 363.505 3.415 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3COc4ccccc4O3)CC2)cc1 ZINC000481088558 502750955 /nfs/dbraw/zinc/75/09/55/502750955.db2.gz FIYPNKBQWBOZRJ-FQEVSTJZSA-N 2 1 352.478 3.471 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481163698 502769313 /nfs/dbraw/zinc/76/93/13/502769313.db2.gz AVAGCEWMBVPFRJ-XQBPLPMBSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccccc1 ZINC000481163698 502769316 /nfs/dbraw/zinc/76/93/16/502769316.db2.gz AVAGCEWMBVPFRJ-XQBPLPMBSA-N 2 1 365.521 3.364 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165554 502771040 /nfs/dbraw/zinc/77/10/40/502771040.db2.gz JIPJHMAPJPXVLE-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000481165554 502771041 /nfs/dbraw/zinc/77/10/41/502771041.db2.gz JIPJHMAPJPXVLE-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188343 502777916 /nfs/dbraw/zinc/77/79/16/502777916.db2.gz HHFILUITAIDJPD-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188343 502777922 /nfs/dbraw/zinc/77/79/22/502777922.db2.gz HHFILUITAIDJPD-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188343 502777928 /nfs/dbraw/zinc/77/79/28/502777928.db2.gz HHFILUITAIDJPD-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474015324 502779526 /nfs/dbraw/zinc/77/95/26/502779526.db2.gz KOLDJFWEDARLKJ-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474015324 502779528 /nfs/dbraw/zinc/77/95/28/502779528.db2.gz KOLDJFWEDARLKJ-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474015324 502779529 /nfs/dbraw/zinc/77/95/29/502779529.db2.gz KOLDJFWEDARLKJ-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938413 502782316 /nfs/dbraw/zinc/78/23/16/502782316.db2.gz QGTIKRSRENNACT-MROQNXINSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938413 502782322 /nfs/dbraw/zinc/78/23/22/502782322.db2.gz QGTIKRSRENNACT-MROQNXINSA-N 2 1 358.313 3.228 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470480700 502789600 /nfs/dbraw/zinc/78/96/00/502789600.db2.gz XOXWAPVSWCMORT-OAQYLSRUSA-N 2 1 374.573 3.459 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000474051666 502790577 /nfs/dbraw/zinc/79/05/77/502790577.db2.gz CJSFRHNMDSWIFJ-LJQANCHMSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CCC[NH+](C)CC2)C1 ZINC000500680290 502839067 /nfs/dbraw/zinc/83/90/67/502839067.db2.gz BKYJBWQCIUQJNY-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@H+](C)CC2)C1 ZINC000500680290 502839070 /nfs/dbraw/zinc/83/90/70/502839070.db2.gz BKYJBWQCIUQJNY-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)N2CCC[N@@H+](C)CC2)C1 ZINC000500680290 502839073 /nfs/dbraw/zinc/83/90/73/502839073.db2.gz BKYJBWQCIUQJNY-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495669949 502856240 /nfs/dbraw/zinc/85/62/40/502856240.db2.gz QBNIAXJNDDKVKS-NHCUHLMSSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152641 502888699 /nfs/dbraw/zinc/88/86/99/502888699.db2.gz YHJHNQIIMZXVQX-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000501010313 502911763 /nfs/dbraw/zinc/91/17/63/502911763.db2.gz JMVUKEOSMBFPJD-MRXNPFEDSA-N 2 1 357.464 3.378 20 0 FGADMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501041615 502919516 /nfs/dbraw/zinc/91/95/16/502919516.db2.gz ZJEZLUCQVNKEQX-UHFFFAOYSA-N 2 1 370.472 3.398 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1CC1CCCCC1)c1cc(-n2ccnc2)ccn1 ZINC000489345415 502933524 /nfs/dbraw/zinc/93/35/24/502933524.db2.gz PIKYWPAKXZVZPW-LJQANCHMSA-N 2 1 367.497 3.042 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961204 /nfs/dbraw/zinc/96/12/04/502961204.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961208 /nfs/dbraw/zinc/96/12/08/502961208.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 2 1 358.574 3.003 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961213 /nfs/dbraw/zinc/96/12/13/502961213.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 2 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961219 /nfs/dbraw/zinc/96/12/19/502961219.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 3 1 358.574 3.003 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000509664766 502961225 /nfs/dbraw/zinc/96/12/25/502961225.db2.gz IJWQSSICOSAUFO-IRLDBZIGSA-N 3 1 358.574 3.003 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccc(OC)c2)CC1 ZINC000505696120 502968340 /nfs/dbraw/zinc/96/83/40/502968340.db2.gz YWDOBADWJJHFMP-UHFFFAOYSA-N 2 1 353.510 3.469 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+]1CCCCC1 ZINC000513571729 502968541 /nfs/dbraw/zinc/96/85/41/502968541.db2.gz GPZYYZKFYJMSLF-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000489528142 502979771 /nfs/dbraw/zinc/97/97/71/502979771.db2.gz ISHULCPQKYQNJV-RLLQIKCJSA-N 2 1 360.546 3.069 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000513667599 502995214 /nfs/dbraw/zinc/99/52/14/502995214.db2.gz SMFQEXZLOYNPLV-BSDSXHPESA-N 2 1 356.432 3.190 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(C)c(C)cc3C)CC2)CC1 ZINC000513671151 502996401 /nfs/dbraw/zinc/99/64/01/502996401.db2.gz BGBXYQPRMYNVSN-UHFFFAOYSA-N 2 1 371.569 3.378 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000505852458 502999593 /nfs/dbraw/zinc/99/95/93/502999593.db2.gz VTEOGGBCCCDHHG-KUFMOJEASA-N 2 1 355.526 3.153 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2/C=C\c2ccccc2)CC1 ZINC000505852458 502999595 /nfs/dbraw/zinc/99/95/95/502999595.db2.gz VTEOGGBCCCDHHG-KUFMOJEASA-N 2 1 355.526 3.153 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000501497233 503021405 /nfs/dbraw/zinc/02/14/05/503021405.db2.gz WUGFHYUZWNJVKN-WOJBJXKFSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000501497233 503021406 /nfs/dbraw/zinc/02/14/06/503021406.db2.gz WUGFHYUZWNJVKN-WOJBJXKFSA-N 2 1 372.557 3.085 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000501519036 503027422 /nfs/dbraw/zinc/02/74/22/503027422.db2.gz UHDPIHCZUFFNRR-ZWKOTPCHSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCCC[C@H]1C ZINC000501519032 503028105 /nfs/dbraw/zinc/02/81/05/503028105.db2.gz UHDPIHCZUFFNRR-MSOLQXFVSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830260 503044145 /nfs/dbraw/zinc/04/41/45/503044145.db2.gz KBWOYXWKNMEAFV-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000501601543 503047506 /nfs/dbraw/zinc/04/75/06/503047506.db2.gz KRJGRTIUPMBBBL-OAQYLSRUSA-N 2 1 370.541 3.163 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000513916556 503048365 /nfs/dbraw/zinc/04/83/65/503048365.db2.gz JHPVSKURJJIJIO-WSTZPKSXSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916556 503048372 /nfs/dbraw/zinc/04/83/72/503048372.db2.gz JHPVSKURJJIJIO-WSTZPKSXSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916556 503048377 /nfs/dbraw/zinc/04/83/77/503048377.db2.gz JHPVSKURJJIJIO-WSTZPKSXSA-N 2 1 357.542 3.276 20 0 FGADMP CCC[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513923488 503049739 /nfs/dbraw/zinc/04/97/39/503049739.db2.gz FQTMRGWCZPXEOB-FCHUYYIVSA-N 2 1 365.521 3.113 20 0 FGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513923488 503049743 /nfs/dbraw/zinc/04/97/43/503049743.db2.gz FQTMRGWCZPXEOB-FCHUYYIVSA-N 2 1 365.521 3.113 20 0 FGADMP CCC[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513923488 503049745 /nfs/dbraw/zinc/04/97/45/503049745.db2.gz FQTMRGWCZPXEOB-FCHUYYIVSA-N 2 1 365.521 3.113 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000501721292 503067494 /nfs/dbraw/zinc/06/74/94/503067494.db2.gz VPVDXKKQWAXWAX-SVFBPWRDSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000501721292 503067496 /nfs/dbraw/zinc/06/74/96/503067496.db2.gz VPVDXKKQWAXWAX-SVFBPWRDSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000501721292 503067499 /nfs/dbraw/zinc/06/74/99/503067499.db2.gz VPVDXKKQWAXWAX-SVFBPWRDSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000501721292 503067503 /nfs/dbraw/zinc/06/75/03/503067503.db2.gz VPVDXKKQWAXWAX-SVFBPWRDSA-N 2 1 372.557 3.053 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3cccnc3s2)CC1 ZINC000501768959 503076450 /nfs/dbraw/zinc/07/64/50/503076450.db2.gz FZKNZQVSZIIXHE-UHFFFAOYSA-N 2 1 362.543 3.262 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000510293707 503086896 /nfs/dbraw/zinc/08/68/96/503086896.db2.gz AKXBCWFZCURNGK-ZWKOTPCHSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000501833085 503089415 /nfs/dbraw/zinc/08/94/15/503089415.db2.gz RRNAOHNKNDXHDP-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1Oc1ccccc1 ZINC000514130128 503095580 /nfs/dbraw/zinc/09/55/80/503095580.db2.gz GTQVTSVVABHTPG-GOSISDBHSA-N 2 1 367.493 3.294 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211016 503113798 /nfs/dbraw/zinc/11/37/98/503113798.db2.gz MMUVGUGMTVQMHX-ANTGDGSKSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211016 503113800 /nfs/dbraw/zinc/11/38/00/503113800.db2.gz MMUVGUGMTVQMHX-ANTGDGSKSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211016 503113804 /nfs/dbraw/zinc/11/38/04/503113804.db2.gz MMUVGUGMTVQMHX-ANTGDGSKSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215014 503114876 /nfs/dbraw/zinc/11/48/76/503114876.db2.gz QIALOZVRUDWJCJ-SBHAEUEKSA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)(C)c1cccc(OCC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1 ZINC000506453765 503117107 /nfs/dbraw/zinc/11/71/07/503117107.db2.gz IKDPZGCLXKDZGF-LJQANCHMSA-N 2 1 360.542 3.407 20 0 FGADMP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502030968 503129772 /nfs/dbraw/zinc/12/97/72/503129772.db2.gz IGUNVUUIYOVTDW-NJYVYQBISA-N 2 1 357.542 3.442 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C[C@H]1C ZINC000498239156 503139523 /nfs/dbraw/zinc/13/95/23/503139523.db2.gz LVDHJRDIWLEEFS-CEXWTWQISA-N 2 1 372.557 3.336 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2ccccc2)c2cncnc2)cc1 ZINC000514634008 503153777 /nfs/dbraw/zinc/15/37/77/503153777.db2.gz DNXGPKBKJFXCJL-JOCHJYFZSA-N 2 1 362.477 3.296 20 0 FGADMP C[C@@H]1CCc2nc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)sc2C1 ZINC000498351468 503164354 /nfs/dbraw/zinc/16/43/54/503164354.db2.gz CJDCDEPVXHROMT-OAGGEKHMSA-N 2 1 351.560 3.247 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506828177 503180346 /nfs/dbraw/zinc/18/03/46/503180346.db2.gz SOJPPXDAIAUVEZ-XUVXKRRUSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506828177 503180350 /nfs/dbraw/zinc/18/03/50/503180350.db2.gz SOJPPXDAIAUVEZ-XUVXKRRUSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506828177 503180351 /nfs/dbraw/zinc/18/03/51/503180351.db2.gz SOJPPXDAIAUVEZ-XUVXKRRUSA-N 2 1 364.578 3.157 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414389 503182702 /nfs/dbraw/zinc/18/27/02/503182702.db2.gz PHJKYHAKCNKFSS-VGUREELVSA-N 2 1 362.518 3.023 20 0 FGADMP Cc1c(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)sc2nccc(C)c12 ZINC000498416389 503182734 /nfs/dbraw/zinc/18/27/34/503182734.db2.gz ZSMWVCOBFVBXED-UHFFFAOYSA-N 2 1 374.554 3.011 20 0 FGADMP CCN(C(=O)[C@@H]1CCn2cncc2C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000490538150 503191647 /nfs/dbraw/zinc/19/16/47/503191647.db2.gz DPILYKYPHOSPNO-RLLQIKCJSA-N 2 1 366.509 3.130 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000510986994 503230681 /nfs/dbraw/zinc/23/06/81/503230681.db2.gz OBJUKINSZKYXCE-UHFFFAOYSA-N 2 1 369.509 3.477 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498696863 503241501 /nfs/dbraw/zinc/24/15/01/503241501.db2.gz SRTSMMFWQTVMIH-TZIWHRDSSA-N 2 1 374.573 3.126 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000490890599 503242580 /nfs/dbraw/zinc/24/25/80/503242580.db2.gz TWRSJFZXTRHGEC-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000490890599 503242583 /nfs/dbraw/zinc/24/25/83/503242583.db2.gz TWRSJFZXTRHGEC-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000490890599 503242584 /nfs/dbraw/zinc/24/25/84/503242584.db2.gz TWRSJFZXTRHGEC-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109622 503274066 /nfs/dbraw/zinc/27/40/66/503274066.db2.gz TXVUUBVFNOYSIU-CPDPWVEUSA-N 2 1 372.557 3.050 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850409 503275306 /nfs/dbraw/zinc/27/53/06/503275306.db2.gz AVMNMMHVGYHCCC-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850409 503275308 /nfs/dbraw/zinc/27/53/08/503275308.db2.gz AVMNMMHVGYHCCC-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000491225031 503288205 /nfs/dbraw/zinc/28/82/05/503288205.db2.gz SXRATVJDJPXBRZ-UHFFFAOYSA-N 2 1 354.498 3.364 20 0 FGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000507462428 503302766 /nfs/dbraw/zinc/30/27/66/503302766.db2.gz OYJDEHWXBGCMGD-NRSFXHEJSA-N 2 1 356.432 3.454 20 0 FGADMP CC[N@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C(C)C ZINC000511377288 503309805 /nfs/dbraw/zinc/30/98/05/503309805.db2.gz JSIQXTVWQZEHFU-MOPGFXCFSA-N 2 1 353.938 3.032 20 0 FGADMP CC[N@@H+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C(C)C ZINC000511377288 503309807 /nfs/dbraw/zinc/30/98/07/503309807.db2.gz JSIQXTVWQZEHFU-MOPGFXCFSA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC000511377288 503309808 /nfs/dbraw/zinc/30/98/08/503309808.db2.gz JSIQXTVWQZEHFU-MOPGFXCFSA-N 2 1 353.938 3.032 20 0 FGADMP CC[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511377288 503309809 /nfs/dbraw/zinc/30/98/09/503309809.db2.gz JSIQXTVWQZEHFU-MOPGFXCFSA-N 2 1 353.938 3.032 20 0 FGADMP CCC[N@H+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511380973 503310423 /nfs/dbraw/zinc/31/04/23/503310423.db2.gz STOWNMNQNRQREH-MOPGFXCFSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[N@@H+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1 ZINC000511380973 503310428 /nfs/dbraw/zinc/31/04/28/503310428.db2.gz STOWNMNQNRQREH-MOPGFXCFSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000511380973 503310433 /nfs/dbraw/zinc/31/04/33/503310433.db2.gz STOWNMNQNRQREH-MOPGFXCFSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000511380973 503310437 /nfs/dbraw/zinc/31/04/37/503310437.db2.gz STOWNMNQNRQREH-MOPGFXCFSA-N 2 1 353.938 3.033 20 0 FGADMP CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000499015377 503315617 /nfs/dbraw/zinc/31/56/17/503315617.db2.gz GAZMKKCQIHDLAV-QGZVFWFLSA-N 2 1 361.555 3.296 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499070224 503326468 /nfs/dbraw/zinc/32/64/68/503326468.db2.gz PKKWXLXWKVKPJX-FQEVSTJZSA-N 2 1 370.497 3.202 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Oc3ccccc3)nn2)C1 ZINC000499070224 503326471 /nfs/dbraw/zinc/32/64/71/503326471.db2.gz PKKWXLXWKVKPJX-FQEVSTJZSA-N 2 1 370.497 3.202 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000503033321 503330113 /nfs/dbraw/zinc/33/01/13/503330113.db2.gz PWPMMVUZRCFOOG-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000503033320 503330312 /nfs/dbraw/zinc/33/03/12/503330312.db2.gz PWPMMVUZRCFOOG-IBGZPJMESA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000503086537 503344451 /nfs/dbraw/zinc/34/44/51/503344451.db2.gz UUYJNTBCNBIVGO-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCc2ccccc21 ZINC000511648176 503361745 /nfs/dbraw/zinc/36/17/45/503361745.db2.gz LQRQNBWIBGZDOJ-NRFANRHFSA-N 2 1 357.542 3.375 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198176 503365357 /nfs/dbraw/zinc/36/53/57/503365357.db2.gz KKOJXQFTNANEIF-MSOLQXFVSA-N 2 1 371.525 3.045 20 0 FGADMP C[C@H]1CN(CCCNC(=O)c2cccc(Oc3ccncc3)c2)C[C@H](C)O1 ZINC000492461576 503370672 /nfs/dbraw/zinc/37/06/72/503370672.db2.gz DBWIUKRLKQHCJE-IRXDYDNUSA-N 2 1 369.465 3.103 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000503222938 503371363 /nfs/dbraw/zinc/37/13/63/503371363.db2.gz MUCJRGWDRCKQIY-VQIMIIECSA-N 2 1 359.518 3.374 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238530 503375311 /nfs/dbraw/zinc/37/53/11/503375311.db2.gz ZMPDCEKPJIRLFU-GGPKGHCWSA-N 2 1 363.933 3.466 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238530 503375315 /nfs/dbraw/zinc/37/53/15/503375315.db2.gz ZMPDCEKPJIRLFU-GGPKGHCWSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238530 503375318 /nfs/dbraw/zinc/37/53/18/503375318.db2.gz ZMPDCEKPJIRLFU-GGPKGHCWSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccc(Cl)cc1 ZINC000503238530 503375325 /nfs/dbraw/zinc/37/53/25/503375325.db2.gz ZMPDCEKPJIRLFU-GGPKGHCWSA-N 2 1 363.933 3.466 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000503269926 503381320 /nfs/dbraw/zinc/38/13/20/503381320.db2.gz NPHPBBXLPJCQLD-FQEVSTJZSA-N 2 1 350.466 3.165 20 0 FGADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000507943565 503401454 /nfs/dbraw/zinc/40/14/54/503401454.db2.gz DYEPJPRNRCYEAU-KSZLIROESA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000507943565 503401457 /nfs/dbraw/zinc/40/14/57/503401457.db2.gz DYEPJPRNRCYEAU-KSZLIROESA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000507943565 503401459 /nfs/dbraw/zinc/40/14/59/503401459.db2.gz DYEPJPRNRCYEAU-KSZLIROESA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000507943565 503401462 /nfs/dbraw/zinc/40/14/62/503401462.db2.gz DYEPJPRNRCYEAU-KSZLIROESA-N 2 1 361.505 3.121 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000511906184 503413123 /nfs/dbraw/zinc/41/31/23/503413123.db2.gz NBDSWJAENFNRJC-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511906184 503413124 /nfs/dbraw/zinc/41/31/24/503413124.db2.gz NBDSWJAENFNRJC-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511906184 503413129 /nfs/dbraw/zinc/41/31/29/503413129.db2.gz NBDSWJAENFNRJC-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000511920596 503415722 /nfs/dbraw/zinc/41/57/22/503415722.db2.gz XXIHFGMMXJTLLN-CEXWTWQISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511920596 503415726 /nfs/dbraw/zinc/41/57/26/503415726.db2.gz XXIHFGMMXJTLLN-CEXWTWQISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000511920596 503415728 /nfs/dbraw/zinc/41/57/28/503415728.db2.gz XXIHFGMMXJTLLN-CEXWTWQISA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000493892019 503453804 /nfs/dbraw/zinc/45/38/04/503453804.db2.gz RQDSPVWJQSWBHV-GZIXRCOHSA-N 2 1 371.447 3.188 20 0 FGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000493961613 503465677 /nfs/dbraw/zinc/46/56/77/503465677.db2.gz QPLLMWDUZLGAKW-XMSQKQJNSA-N 2 1 354.494 3.385 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516245640 503480498 /nfs/dbraw/zinc/48/04/98/503480498.db2.gz RTYHZDJRDRBUSJ-CEXWTWQISA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000494248351 503511775 /nfs/dbraw/zinc/51/17/75/503511775.db2.gz QXZCYDYCCWUGFY-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494248351 503511778 /nfs/dbraw/zinc/51/17/78/503511778.db2.gz QXZCYDYCCWUGFY-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000494248351 503511783 /nfs/dbraw/zinc/51/17/83/503511783.db2.gz QXZCYDYCCWUGFY-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494281139 503518800 /nfs/dbraw/zinc/51/88/00/503518800.db2.gz BTUSQEYDFKWCNE-JBYIUTFZSA-N 2 1 369.553 3.408 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512407564 503539747 /nfs/dbraw/zinc/53/97/47/503539747.db2.gz WMVPTGWQBPVRNQ-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512416604 503543809 /nfs/dbraw/zinc/54/38/09/503543809.db2.gz ANHZPRKFLAZTNC-TZIWHRDSSA-N 2 1 374.573 3.269 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000512444550 503553671 /nfs/dbraw/zinc/55/36/71/503553671.db2.gz PVGFUFQEGVNYNR-JOCHJYFZSA-N 2 1 359.558 3.085 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504324425 503556528 /nfs/dbraw/zinc/55/65/28/503556528.db2.gz LCHVJACXGXFRBU-SFTDATJTSA-N 2 1 370.541 3.099 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000500154754 503565907 /nfs/dbraw/zinc/56/59/07/503565907.db2.gz HYKYIUHFZHHUCJ-HXUWFJFHSA-N 2 1 366.594 3.262 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683457 503567713 /nfs/dbraw/zinc/56/77/13/503567713.db2.gz JHDCUKZYSAIJLO-CEXWTWQISA-N 2 1 366.594 3.115 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683457 503567716 /nfs/dbraw/zinc/56/77/16/503567716.db2.gz JHDCUKZYSAIJLO-CEXWTWQISA-N 2 1 366.594 3.115 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683457 503567719 /nfs/dbraw/zinc/56/77/19/503567719.db2.gz JHDCUKZYSAIJLO-CEXWTWQISA-N 2 1 366.594 3.115 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508872395 503584283 /nfs/dbraw/zinc/58/42/83/503584283.db2.gz RQQGDYGBVRVAKA-RXVVDRJESA-N 2 1 372.557 3.338 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880853 503587369 /nfs/dbraw/zinc/58/73/69/503587369.db2.gz XGCKPQWKWSELBB-IRLDBZIGSA-N 2 1 358.526 3.408 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880853 503587372 /nfs/dbraw/zinc/58/73/72/503587372.db2.gz XGCKPQWKWSELBB-IRLDBZIGSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880853 503587373 /nfs/dbraw/zinc/58/73/73/503587373.db2.gz XGCKPQWKWSELBB-IRLDBZIGSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000508880853 503587376 /nfs/dbraw/zinc/58/73/76/503587376.db2.gz XGCKPQWKWSELBB-IRLDBZIGSA-N 2 1 358.526 3.408 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)nc1 ZINC000512620646 503597418 /nfs/dbraw/zinc/59/74/18/503597418.db2.gz RVCZVTSOKRIVNK-PCCBWWKXSA-N 2 1 350.510 3.218 20 0 FGADMP CC(C)Oc1cccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000512669216 503608183 /nfs/dbraw/zinc/60/81/83/503608183.db2.gz QYGOYEOADUDXJC-WOJBJXKFSA-N 2 1 359.558 3.464 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512670800 503608910 /nfs/dbraw/zinc/60/89/10/503608910.db2.gz BHWDUBYMJNSLDZ-PCCBWWKXSA-N 2 1 365.525 3.046 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000516967474 503633923 /nfs/dbraw/zinc/63/39/23/503633923.db2.gz ONXNEAPBLPVPKP-NHCUHLMSSA-N 2 1 351.494 3.257 20 0 FGADMP CCCCOc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000536707071 503689744 /nfs/dbraw/zinc/68/97/44/503689744.db2.gz BJRFNPVZSJCEPH-NRFANRHFSA-N 2 1 359.558 3.466 20 0 FGADMP CC(C)(C)[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000543248312 503697600 /nfs/dbraw/zinc/69/76/00/503697600.db2.gz WYGAIRFWWFLZNF-FQEVSTJZSA-N 2 1 357.542 3.267 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1)CC(C)C ZINC000540199114 503705153 /nfs/dbraw/zinc/70/51/53/503705153.db2.gz SJALSQHWSFVRIT-IBGZPJMESA-N 2 1 351.579 3.467 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1)CC(C)C ZINC000540199115 503705402 /nfs/dbraw/zinc/70/54/02/503705402.db2.gz SJALSQHWSFVRIT-LJQANCHMSA-N 2 1 351.579 3.467 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000540221318 503716359 /nfs/dbraw/zinc/71/63/59/503716359.db2.gz DWLBJASSHKBWKK-LXZKKBNFSA-N 2 1 369.431 3.131 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)[C@@H](C)C1 ZINC000540221318 503716364 /nfs/dbraw/zinc/71/63/64/503716364.db2.gz DWLBJASSHKBWKK-LXZKKBNFSA-N 2 1 369.431 3.131 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl ZINC000536829792 503735260 /nfs/dbraw/zinc/73/52/60/503735260.db2.gz AAGDFOBACLLMBS-BXUZGUMPSA-N 2 1 365.827 3.453 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2)CC1)CC(C)C ZINC000536887791 503749182 /nfs/dbraw/zinc/74/91/82/503749182.db2.gz BLFXXWVYSRFDND-UHFFFAOYSA-N 2 1 359.558 3.383 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000517472217 503751994 /nfs/dbraw/zinc/75/19/94/503751994.db2.gz WMQNOAPXHSJQIJ-LJQANCHMSA-N 2 1 358.530 3.178 20 0 FGADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000543394699 503752065 /nfs/dbraw/zinc/75/20/65/503752065.db2.gz ZGVXNBXORVPWPG-AEFFLSMTSA-N 2 1 369.513 3.093 20 0 FGADMP Cc1cc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)c2cccnc2)ccc1F ZINC000543404674 503756597 /nfs/dbraw/zinc/75/65/97/503756597.db2.gz PYYUUAJWSZDWNA-UNMCSNQZSA-N 2 1 371.500 3.445 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000517555935 503770784 /nfs/dbraw/zinc/77/07/84/503770784.db2.gz BUMLIELAFIRKMR-UEVCKROQSA-N 2 1 352.522 3.480 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014039 503777345 /nfs/dbraw/zinc/77/73/45/503777345.db2.gz ZDANYKRYGSBGEV-PKTZIBPZSA-N 2 1 366.505 3.373 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C2CC2)cc1 ZINC000537014039 503777350 /nfs/dbraw/zinc/77/73/50/503777350.db2.gz ZDANYKRYGSBGEV-PKTZIBPZSA-N 2 1 366.505 3.373 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543458863 503780441 /nfs/dbraw/zinc/78/04/41/503780441.db2.gz NJTHTVQOHIXWSV-JLMWRMLUSA-N 2 1 369.553 3.423 20 0 FGADMP C[C@H]([NH2+]CC(=O)N[C@H]1CCCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458863 503780444 /nfs/dbraw/zinc/78/04/44/503780444.db2.gz NJTHTVQOHIXWSV-JLMWRMLUSA-N 2 1 369.553 3.423 20 0 FGADMP Cc1cccc(NC(=O)NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000533272073 503786815 /nfs/dbraw/zinc/78/68/15/503786815.db2.gz CSSZXWVUYZEMRK-UHFFFAOYSA-N 2 1 374.529 3.004 20 0 FGADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000546574971 503793958 /nfs/dbraw/zinc/79/39/58/503793958.db2.gz OIJRVOZQHOHMOO-AVRDEDQJSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546574971 503793960 /nfs/dbraw/zinc/79/39/60/503793960.db2.gz OIJRVOZQHOHMOO-AVRDEDQJSA-N 2 1 354.494 3.291 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCC[N@@H+]2CC=C(C)CC2)cc1 ZINC000546575975 503795003 /nfs/dbraw/zinc/79/50/03/503795003.db2.gz GROKODRTJJKICL-UHFFFAOYSA-N 2 1 374.529 3.181 20 0 FGADMP C[C@H](SCc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517652757 503797562 /nfs/dbraw/zinc/79/75/62/503797562.db2.gz YSYSLWANMOXHAD-INIZCTEOSA-N 2 1 370.522 3.094 20 0 FGADMP C[C@H](CSc1ccccc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000517655198 503798345 /nfs/dbraw/zinc/79/83/45/503798345.db2.gz ACYFNPQOKRISLJ-MRXNPFEDSA-N 2 1 370.522 3.200 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096135 503801643 /nfs/dbraw/zinc/80/16/43/503801643.db2.gz IMCCKLZGCURXHR-XAPVIXHLSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096135 503801649 /nfs/dbraw/zinc/80/16/49/503801649.db2.gz IMCCKLZGCURXHR-XAPVIXHLSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096135 503801652 /nfs/dbraw/zinc/80/16/52/503801652.db2.gz IMCCKLZGCURXHR-XAPVIXHLSA-N 3 1 373.585 3.268 20 0 FGADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096135 503801659 /nfs/dbraw/zinc/80/16/59/503801659.db2.gz IMCCKLZGCURXHR-XAPVIXHLSA-N 2 1 373.585 3.268 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)[C@H](C)C3)cc2)C[C@H]1C ZINC000537096135 503801664 /nfs/dbraw/zinc/80/16/64/503801664.db2.gz IMCCKLZGCURXHR-XAPVIXHLSA-N 2 1 373.585 3.268 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740755 503823077 /nfs/dbraw/zinc/82/30/77/503823077.db2.gz UDKILFNUKSPVKV-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)nc(C)[nH+]1 ZINC000546653610 503825190 /nfs/dbraw/zinc/82/51/90/503825190.db2.gz LBDVXBLAMUDVMA-WSTZPKSXSA-N 2 1 358.530 3.247 20 0 FGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000540593399 503827024 /nfs/dbraw/zinc/82/70/24/503827024.db2.gz FLUPBIRXQUYGMH-CVEARBPZSA-N 2 1 357.498 3.233 20 0 FGADMP CCc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000540593399 503827028 /nfs/dbraw/zinc/82/70/28/503827028.db2.gz FLUPBIRXQUYGMH-CVEARBPZSA-N 2 1 357.498 3.233 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000533408871 503835117 /nfs/dbraw/zinc/83/51/17/503835117.db2.gz ISJMSCAXSAKGMF-UHFFFAOYSA-N 2 1 359.514 3.270 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)o1 ZINC000540628420 503837879 /nfs/dbraw/zinc/83/78/79/503837879.db2.gz ZTEOYXWFCFMCLG-WMZOPIPTSA-N 2 1 356.466 3.457 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000527649011 503875875 /nfs/dbraw/zinc/87/58/75/503875875.db2.gz BQYXUKUFHFXQTD-UHFFFAOYSA-N 2 1 366.288 3.195 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676601 503890908 /nfs/dbraw/zinc/89/09/08/503890908.db2.gz UEDMCNSWCCIYLI-ROUUACIJSA-N 2 1 372.431 3.181 20 0 FGADMP CCCCN(C(=O)C[N@@H+](C)[C@@H]1CCSC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000533872284 503976617 /nfs/dbraw/zinc/97/66/17/503976617.db2.gz KWKFXMUUVLLTLW-MRXNPFEDSA-N 2 1 369.619 3.362 20 0 FGADMP CCOc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc(Cl)c1OC ZINC000537629775 503983036 /nfs/dbraw/zinc/98/30/36/503983036.db2.gz CJWCPWVIHDNBKD-UHFFFAOYSA-N 2 1 370.921 3.290 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000518452507 503989481 /nfs/dbraw/zinc/98/94/81/503989481.db2.gz ATCGNONNTZQESQ-GOSISDBHSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000537648049 503990708 /nfs/dbraw/zinc/99/07/08/503990708.db2.gz QGCBXKDNVOYVQD-INIZCTEOSA-N 2 1 371.319 3.087 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000537648049 503990711 /nfs/dbraw/zinc/99/07/11/503990711.db2.gz QGCBXKDNVOYVQD-INIZCTEOSA-N 2 1 371.319 3.087 20 0 FGADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000541175964 504032303 /nfs/dbraw/zinc/03/23/03/504032303.db2.gz MEMCZBYDKAPRBW-IEBWSBKVSA-N 2 1 355.448 3.313 20 0 FGADMP COCCOc1ccc([C@@H](C)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528015423 504040395 /nfs/dbraw/zinc/04/03/95/504040395.db2.gz XKJOPUAIBMJHRA-APWZRJJASA-N 2 1 362.514 3.388 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662882 504043867 /nfs/dbraw/zinc/04/38/67/504043867.db2.gz WUMHYTRMRDSVQQ-OCCSQVGLSA-N 2 1 369.303 3.482 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662882 504043871 /nfs/dbraw/zinc/04/38/71/504043871.db2.gz WUMHYTRMRDSVQQ-OCCSQVGLSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662882 504043877 /nfs/dbraw/zinc/04/38/77/504043877.db2.gz WUMHYTRMRDSVQQ-OCCSQVGLSA-N 2 1 369.303 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)C[C@H]1C ZINC000530662882 504043882 /nfs/dbraw/zinc/04/38/82/504043882.db2.gz WUMHYTRMRDSVQQ-OCCSQVGLSA-N 2 1 369.303 3.482 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216287 504046838 /nfs/dbraw/zinc/04/68/38/504046838.db2.gz KUZNNNMSWMQICX-HUUCEWRRSA-N 2 1 367.921 3.387 20 0 FGADMP CN(CC[N@@H+](C)CCOc1ccc(Cl)cc1Cl)C1CC[NH+](C)CC1 ZINC000534219138 504074469 /nfs/dbraw/zinc/07/44/69/504074469.db2.gz LZOBYBKDRVGAJM-UHFFFAOYSA-N 2 1 374.356 3.330 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000547367965 504079139 /nfs/dbraw/zinc/07/91/39/504079139.db2.gz XSMCCTZKSPJJFH-IRXDYDNUSA-N 2 1 371.525 3.161 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000547367965 504079142 /nfs/dbraw/zinc/07/91/42/504079142.db2.gz XSMCCTZKSPJJFH-IRXDYDNUSA-N 2 1 371.525 3.161 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937256 504088807 /nfs/dbraw/zinc/08/88/07/504088807.db2.gz DBQWDEVDCPUUPV-JMSVASOKSA-N 2 1 369.303 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937256 504088813 /nfs/dbraw/zinc/08/88/13/504088813.db2.gz DBQWDEVDCPUUPV-JMSVASOKSA-N 2 1 369.303 3.039 20 0 FGADMP CCc1cnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000544351979 504099699 /nfs/dbraw/zinc/09/96/99/504099699.db2.gz TUQPICNEICVARW-HZPDHXFCSA-N 2 1 351.560 3.417 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351288 504102185 /nfs/dbraw/zinc/10/21/85/504102185.db2.gz XWQITUZRBBFNBU-OWCLPIDISA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351288 504102191 /nfs/dbraw/zinc/10/21/91/504102191.db2.gz XWQITUZRBBFNBU-OWCLPIDISA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@H]1C ZINC000541351288 504102196 /nfs/dbraw/zinc/10/21/96/504102196.db2.gz XWQITUZRBBFNBU-OWCLPIDISA-N 2 1 374.447 3.250 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Cl)c2)[C@@H](C)C1 ZINC000537991754 504104788 /nfs/dbraw/zinc/10/47/88/504104788.db2.gz SUDZQKHCVFZFJR-LPHOPBHVSA-N 2 1 354.922 3.445 20 0 FGADMP CC(C[NH+]1CC[C@@H](C2CCOCC2)C1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380904 504125870 /nfs/dbraw/zinc/12/58/70/504125870.db2.gz UKDUIEPIPNKAEV-FGZHOGPDSA-N 2 1 364.574 3.120 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541474491 504142992 /nfs/dbraw/zinc/14/29/92/504142992.db2.gz BZRNXGCAQQWZSN-SFHVURJKSA-N 2 1 360.546 3.341 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541474491 504142997 /nfs/dbraw/zinc/14/29/97/504142997.db2.gz BZRNXGCAQQWZSN-SFHVURJKSA-N 2 1 360.546 3.341 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000519183783 504160166 /nfs/dbraw/zinc/16/01/66/504160166.db2.gz NCMYIGOCWDBRFR-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000519183783 504160174 /nfs/dbraw/zinc/16/01/74/504160174.db2.gz NCMYIGOCWDBRFR-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681342 504215811 /nfs/dbraw/zinc/21/58/11/504215811.db2.gz XCLXEGDFEKBNKA-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681342 504215817 /nfs/dbraw/zinc/21/58/17/504215817.db2.gz XCLXEGDFEKBNKA-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)C1 ZINC000544681342 504215822 /nfs/dbraw/zinc/21/58/22/504215822.db2.gz XCLXEGDFEKBNKA-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)NCc2coc(S(C)(=O)=O)c2)cc1 ZINC000528437370 504224768 /nfs/dbraw/zinc/22/47/68/504224768.db2.gz JQWYXSZVMOSFDA-CYBMUJFWSA-N 2 1 359.451 3.028 20 0 FGADMP C[N@@H+]1CC=C(CNC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000538385877 504229389 /nfs/dbraw/zinc/22/93/89/504229389.db2.gz LJHPRPSQZNRKMB-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000538388245 504230252 /nfs/dbraw/zinc/23/02/52/504230252.db2.gz XGUHXQCVOHOJKZ-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000541816482 504263405 /nfs/dbraw/zinc/26/34/05/504263405.db2.gz FQBVIOZYGHDKEZ-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)Cc2ccccc2C1 ZINC000541882362 504289925 /nfs/dbraw/zinc/28/99/25/504289925.db2.gz FJDIKBQFZBVDGR-DNVJHFABSA-N 2 1 362.517 3.017 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CC[NH+](C4CC4)CC3)c2)CC1 ZINC000538771824 504364272 /nfs/dbraw/zinc/36/42/72/504364272.db2.gz RLZYYTRNVWTUDP-UHFFFAOYSA-N 2 1 370.541 3.273 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000538782660 504369816 /nfs/dbraw/zinc/36/98/16/504369816.db2.gz XQZXQSZTKKRFRX-MRXNPFEDSA-N 2 1 358.885 3.291 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923829 504384788 /nfs/dbraw/zinc/38/47/88/504384788.db2.gz QOQVWOBULDLKGL-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000519923829 504384793 /nfs/dbraw/zinc/38/47/93/504384793.db2.gz QOQVWOBULDLKGL-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000519923829 504384800 /nfs/dbraw/zinc/38/48/00/504384800.db2.gz QOQVWOBULDLKGL-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H](Cc1ccsc1)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000542158660 504385381 /nfs/dbraw/zinc/38/53/81/504385381.db2.gz KCWPJBOFJYXZTL-IBGZPJMESA-N 2 1 357.567 3.429 20 0 FGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531723266 504403375 /nfs/dbraw/zinc/40/33/75/504403375.db2.gz PBPFJTYENBDANG-GCJKJVERSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000531723266 504403382 /nfs/dbraw/zinc/40/33/82/504403382.db2.gz PBPFJTYENBDANG-GCJKJVERSA-N 2 1 356.485 3.373 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1)CC1CC1 ZINC000538948114 504425414 /nfs/dbraw/zinc/42/54/14/504425414.db2.gz FYBCHGIZKLAHRH-UHFFFAOYSA-N 2 1 368.525 3.029 20 0 FGADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000542302969 504442796 /nfs/dbraw/zinc/44/27/96/504442796.db2.gz DOWDUDLCVKNLTF-HSZRJFAPSA-N 2 1 361.489 3.270 20 0 FGADMP Cc1cc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000542302969 504442800 /nfs/dbraw/zinc/44/28/00/504442800.db2.gz DOWDUDLCVKNLTF-HSZRJFAPSA-N 2 1 361.489 3.270 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(OCCO)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481469 504462020 /nfs/dbraw/zinc/46/20/20/504462020.db2.gz QOSYREVDWKXOMF-WIYYLYMNSA-N 2 1 354.494 3.058 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000539071690 504464801 /nfs/dbraw/zinc/46/48/01/504464801.db2.gz YJDAHTCKFGEOBQ-QRVBRYPASA-N 2 1 361.530 3.191 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000520339357 504470849 /nfs/dbraw/zinc/47/08/49/504470849.db2.gz QSUNDWAWWBQFAE-SIKLNZKXSA-N 2 1 371.569 3.176 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCC1 ZINC000545430302 504483106 /nfs/dbraw/zinc/48/31/06/504483106.db2.gz DGKJPPWREUHDIA-LJQANCHMSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCC1 ZINC000545430302 504483111 /nfs/dbraw/zinc/48/31/11/504483111.db2.gz DGKJPPWREUHDIA-LJQANCHMSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000520379654 504484031 /nfs/dbraw/zinc/48/40/31/504484031.db2.gz ITKZNYYNHDBCLB-FQEVSTJZSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000520379654 504484033 /nfs/dbraw/zinc/48/40/33/504484033.db2.gz ITKZNYYNHDBCLB-FQEVSTJZSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000520379654 504484037 /nfs/dbraw/zinc/48/40/37/504484037.db2.gz ITKZNYYNHDBCLB-FQEVSTJZSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000520544923 504524866 /nfs/dbraw/zinc/52/48/66/504524866.db2.gz BONPSOXWCVPTRW-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529093 504527822 /nfs/dbraw/zinc/52/78/22/504527822.db2.gz NATMRQRHAWBQLM-HUUCEWRRSA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)N(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529093 504527828 /nfs/dbraw/zinc/52/78/28/504527828.db2.gz NATMRQRHAWBQLM-HUUCEWRRSA-N 2 1 363.468 3.028 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(F)cc(F)c2)c2cccs2)CC1 ZINC000535898860 504575767 /nfs/dbraw/zinc/57/57/67/504575767.db2.gz LFNAULWSPGVYRI-KRWDZBQOSA-N 2 1 351.466 3.105 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)Cc2ccccc2C1 ZINC000532235628 504583013 /nfs/dbraw/zinc/58/30/13/504583013.db2.gz IEQKLGUHXLSUIK-GCJKJVERSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)o1 ZINC000539516527 504596833 /nfs/dbraw/zinc/59/68/33/504596833.db2.gz BHEWYVIBFXKCLH-LGYWMIHWSA-N 2 1 354.494 3.376 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000520887485 504603698 /nfs/dbraw/zinc/60/36/98/504603698.db2.gz WPUQHAIPWSHRFO-VQTJNVASSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000520887485 504603702 /nfs/dbraw/zinc/60/37/02/504603702.db2.gz WPUQHAIPWSHRFO-VQTJNVASSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000520887485 504603708 /nfs/dbraw/zinc/60/37/08/504603708.db2.gz WPUQHAIPWSHRFO-VQTJNVASSA-N 2 1 366.594 3.452 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C(C)(C)C2)CC1 ZINC000520902276 504607271 /nfs/dbraw/zinc/60/72/71/504607271.db2.gz XGVJRAUQBSPZCV-LJQANCHMSA-N 2 1 371.569 3.444 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529284149 504619328 /nfs/dbraw/zinc/61/93/28/504619328.db2.gz CROSVSITDKYWBH-PXNSSMCTSA-N 2 1 370.541 3.145 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000536072400 504624503 /nfs/dbraw/zinc/62/45/03/504624503.db2.gz QPNCIMJGSCNLMX-IBGZPJMESA-N 2 1 361.555 3.091 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCSC1 ZINC000536072400 504624507 /nfs/dbraw/zinc/62/45/07/504624507.db2.gz QPNCIMJGSCNLMX-IBGZPJMESA-N 2 1 361.555 3.091 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521765 504680684 /nfs/dbraw/zinc/68/06/84/504680684.db2.gz MMHWKWGIEKEXSS-MFKMUULPSA-N 2 1 350.816 3.096 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484350 504694314 /nfs/dbraw/zinc/69/43/14/504694314.db2.gz WSHDOCJEMHWCIG-LPHOPBHVSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484350 504694323 /nfs/dbraw/zinc/69/43/23/504694323.db2.gz WSHDOCJEMHWCIG-LPHOPBHVSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484350 504694331 /nfs/dbraw/zinc/69/43/31/504694331.db2.gz WSHDOCJEMHWCIG-LPHOPBHVSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484350 504694336 /nfs/dbraw/zinc/69/43/36/504694336.db2.gz WSHDOCJEMHWCIG-LPHOPBHVSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484350 504694341 /nfs/dbraw/zinc/69/43/41/504694341.db2.gz WSHDOCJEMHWCIG-LPHOPBHVSA-N 2 1 363.933 3.153 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)CC1 ZINC000539824453 504704828 /nfs/dbraw/zinc/70/48/28/504704828.db2.gz FMKBRLRLLYZJJS-HXUWFJFHSA-N 2 1 357.542 3.000 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000539825208 504705969 /nfs/dbraw/zinc/70/59/69/504705969.db2.gz NTPRGUSKPRLQCB-PXNSSMCTSA-N 2 1 355.526 3.453 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000539831862 504707743 /nfs/dbraw/zinc/70/77/43/504707743.db2.gz IIOXYFIXWDDIIE-UHFFFAOYSA-N 2 1 351.541 3.414 20 0 FGADMP C(CC[NH+]1CCOCC2(CCC2)C1)CC[N@H+]1CCOCC2(CCC2)C1 ZINC000546103173 504709698 /nfs/dbraw/zinc/70/96/98/504709698.db2.gz GSQDTMAFYVFJMO-UHFFFAOYSA-N 2 1 350.547 3.162 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)c(F)cc2Cl)CC1 ZINC000521331074 504710643 /nfs/dbraw/zinc/71/06/43/504710643.db2.gz USIPNJHNDHWHQF-UHFFFAOYSA-N 2 1 366.799 3.017 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850665 504716711 /nfs/dbraw/zinc/71/67/11/504716711.db2.gz LKQADLBNCFEPNG-LJQANCHMSA-N 2 1 374.525 3.019 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850665 504716717 /nfs/dbraw/zinc/71/67/17/504716717.db2.gz LKQADLBNCFEPNG-LJQANCHMSA-N 2 1 374.525 3.019 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000539850665 504716723 /nfs/dbraw/zinc/71/67/23/504716723.db2.gz LKQADLBNCFEPNG-LJQANCHMSA-N 2 1 374.525 3.019 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000539850665 504716729 /nfs/dbraw/zinc/71/67/29/504716729.db2.gz LKQADLBNCFEPNG-LJQANCHMSA-N 2 1 374.525 3.019 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2ccc(F)cn2)c1)C1CCOCC1 ZINC000529539193 504720992 /nfs/dbraw/zinc/72/09/92/504720992.db2.gz ULRNYIVQPGRZGG-UHFFFAOYSA-N 2 1 373.472 3.000 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000521593498 504761875 /nfs/dbraw/zinc/76/18/75/504761875.db2.gz DEFYACLYQBVQNZ-QRVBRYPASA-N 2 1 364.578 3.061 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051664 504782401 /nfs/dbraw/zinc/78/24/01/504782401.db2.gz OSEDYOYAGNYOHV-MSOLQXFVSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051664 504782404 /nfs/dbraw/zinc/78/24/04/504782404.db2.gz OSEDYOYAGNYOHV-MSOLQXFVSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051664 504782407 /nfs/dbraw/zinc/78/24/07/504782407.db2.gz OSEDYOYAGNYOHV-MSOLQXFVSA-N 2 1 352.544 3.006 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)cs1 ZINC000556092986 504795314 /nfs/dbraw/zinc/79/53/14/504795314.db2.gz HPFNVGDALLMMKK-HNAYVOBHSA-N 2 1 351.560 3.465 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000552973221 504796114 /nfs/dbraw/zinc/79/61/14/504796114.db2.gz MXXSBHWCSQUZIK-SFHVURJKSA-N 2 1 352.482 3.379 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000562451475 504824809 /nfs/dbraw/zinc/82/48/09/504824809.db2.gz VCYDICUGDVXZHK-HXUWFJFHSA-N 2 1 369.509 3.147 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000556234061 504825251 /nfs/dbraw/zinc/82/52/51/504825251.db2.gz ULBDCTFLYCSEFW-CRAIPNDOSA-N 2 1 373.463 3.370 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000549472591 504831651 /nfs/dbraw/zinc/83/16/51/504831651.db2.gz SRALUNYUWBLFHD-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CC[C@@H](c1ccncc1)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000553143256 504836960 /nfs/dbraw/zinc/83/69/60/504836960.db2.gz DSUXFTANZXEQGQ-NRFANRHFSA-N 2 1 372.557 3.187 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cccc(F)c1 ZINC000553177555 504846510 /nfs/dbraw/zinc/84/65/10/504846510.db2.gz HARPZSBQVMBYIY-TZIWHRDSSA-N 2 1 369.484 3.067 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000553268477 504869139 /nfs/dbraw/zinc/86/91/39/504869139.db2.gz NHPPDKMGBMXWTM-JOCHJYFZSA-N 2 1 369.553 3.450 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549737569 504884641 /nfs/dbraw/zinc/88/46/41/504884641.db2.gz OVIWBSZBSOIUDV-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549737569 504884645 /nfs/dbraw/zinc/88/46/45/504884645.db2.gz OVIWBSZBSOIUDV-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000549737519 504884716 /nfs/dbraw/zinc/88/47/16/504884716.db2.gz LCEIKDPSBWBFTQ-QZTJIDSGSA-N 2 1 359.539 3.378 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000549771314 504893535 /nfs/dbraw/zinc/89/35/35/504893535.db2.gz JQFWOLGVXFYBDO-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391829 504902102 /nfs/dbraw/zinc/90/21/02/504902102.db2.gz JQFDODVUKMNDCA-YADHBBJMSA-N 2 1 365.521 3.236 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559741634 504919886 /nfs/dbraw/zinc/91/98/86/504919886.db2.gz NHFPNVGHLRGLCC-RTWAWAEBSA-N 2 1 351.494 3.361 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1 ZINC000559741634 504919891 /nfs/dbraw/zinc/91/98/91/504919891.db2.gz NHFPNVGHLRGLCC-RTWAWAEBSA-N 2 1 351.494 3.361 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559785178 504927624 /nfs/dbraw/zinc/92/76/24/504927624.db2.gz MZIHKXGKBIWPOM-NHCUHLMSSA-N 2 1 369.484 3.371 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559785178 504927625 /nfs/dbraw/zinc/92/76/25/504927625.db2.gz MZIHKXGKBIWPOM-NHCUHLMSSA-N 2 1 369.484 3.371 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599114 504933621 /nfs/dbraw/zinc/93/36/21/504933621.db2.gz KOHPGCZEHJGYKZ-RXVVDRJESA-N 2 1 365.521 3.484 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000565599114 504933626 /nfs/dbraw/zinc/93/36/26/504933626.db2.gz KOHPGCZEHJGYKZ-RXVVDRJESA-N 2 1 365.521 3.484 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000565833082 505001336 /nfs/dbraw/zinc/00/13/36/505001336.db2.gz KMDBPPAQGHTKAH-YADHBBJMSA-N 2 1 350.506 3.377 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000565833082 505001339 /nfs/dbraw/zinc/00/13/39/505001339.db2.gz KMDBPPAQGHTKAH-YADHBBJMSA-N 2 1 350.506 3.377 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCOC(C)(C)C2)CC1 ZINC000556870208 505001406 /nfs/dbraw/zinc/00/14/06/505001406.db2.gz FSTCGSBYHWRVLT-UHFFFAOYSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@H](CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000553770716 505004722 /nfs/dbraw/zinc/00/47/22/505004722.db2.gz WBAPEGYHLCWJNO-QZTJIDSGSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000553770716 505004723 /nfs/dbraw/zinc/00/47/23/505004723.db2.gz WBAPEGYHLCWJNO-QZTJIDSGSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000553770716 505004727 /nfs/dbraw/zinc/00/47/27/505004727.db2.gz WBAPEGYHLCWJNO-QZTJIDSGSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553775241 505006455 /nfs/dbraw/zinc/00/64/55/505006455.db2.gz SHNHFOBQGVAGIA-YFVAEKQCSA-N 2 1 373.516 3.123 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000562985182 505009645 /nfs/dbraw/zinc/00/96/45/505009645.db2.gz ICVAMZVQXQYEGS-ZFWWWQNUSA-N 2 1 361.313 3.055 20 0 FGADMP CCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)CC(C)C ZINC000553826834 505020688 /nfs/dbraw/zinc/02/06/88/505020688.db2.gz CMNVCUNSRSQKGO-UHFFFAOYSA-N 2 1 359.558 3.397 20 0 FGADMP CCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)CC(C)C ZINC000553826834 505020691 /nfs/dbraw/zinc/02/06/91/505020691.db2.gz CMNVCUNSRSQKGO-UHFFFAOYSA-N 2 1 359.558 3.397 20 0 FGADMP CCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)CC(C)C ZINC000553826834 505020692 /nfs/dbraw/zinc/02/06/92/505020692.db2.gz CMNVCUNSRSQKGO-UHFFFAOYSA-N 2 1 359.558 3.397 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246133 505028756 /nfs/dbraw/zinc/02/87/56/505028756.db2.gz MNLIJNKKWFKDKN-NHCUHLMSSA-N 2 1 359.558 3.096 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(I)c3)CC[C@@H]21 ZINC000560258786 505032204 /nfs/dbraw/zinc/03/22/04/505032204.db2.gz SCRIMTQCDGNHMA-ZBFHGGJFSA-N 2 1 370.278 3.207 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2[C@H]2CCCO2)CC1 ZINC000560265078 505033723 /nfs/dbraw/zinc/03/37/23/505033723.db2.gz DGCKGDCGJUNROJ-FCHUYYIVSA-N 2 1 357.542 3.362 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000556974025 505036120 /nfs/dbraw/zinc/03/61/20/505036120.db2.gz HEAVNVQWWRBNRA-UHFFFAOYSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036127 505049265 /nfs/dbraw/zinc/04/92/65/505049265.db2.gz ZNGCVSKTFOYMNY-NVXWUHKLSA-N 2 1 356.514 3.107 20 0 FGADMP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000557072656 505059392 /nfs/dbraw/zinc/05/93/92/505059392.db2.gz WVKFCHPMWUEPKP-JPYJTQIMSA-N 2 1 365.521 3.242 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128612 505099586 /nfs/dbraw/zinc/09/95/86/505099586.db2.gz OYHXXIJSBCIVBQ-BLKABHOGSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128612 505099591 /nfs/dbraw/zinc/09/95/91/505099591.db2.gz OYHXXIJSBCIVBQ-BLKABHOGSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128612 505099595 /nfs/dbraw/zinc/09/95/95/505099595.db2.gz OYHXXIJSBCIVBQ-BLKABHOGSA-N 2 1 369.553 3.230 20 0 FGADMP CCOc1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000557337974 505110076 /nfs/dbraw/zinc/11/00/76/505110076.db2.gz IFNIDSQYRZCWBE-SFHVURJKSA-N 2 1 356.470 3.099 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000550837491 505112531 /nfs/dbraw/zinc/11/25/31/505112531.db2.gz YOCHGRWDPQHJBA-WJMWBRGCSA-N 2 1 357.542 3.324 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216004 505113446 /nfs/dbraw/zinc/11/34/46/505113446.db2.gz HYXYRXNKVIXPAA-OAQYLSRUSA-N 2 1 363.505 3.333 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216004 505113450 /nfs/dbraw/zinc/11/34/50/505113450.db2.gz HYXYRXNKVIXPAA-OAQYLSRUSA-N 2 1 363.505 3.333 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216003 505113465 /nfs/dbraw/zinc/11/34/65/505113465.db2.gz HYXYRXNKVIXPAA-NRFANRHFSA-N 2 1 363.505 3.333 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cc1 ZINC000566216003 505113468 /nfs/dbraw/zinc/11/34/68/505113468.db2.gz HYXYRXNKVIXPAA-NRFANRHFSA-N 2 1 363.505 3.333 20 0 FGADMP COC(=O)c1csc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000560528126 505115662 /nfs/dbraw/zinc/11/56/62/505115662.db2.gz NRZBCZVGVPLNMT-ZNMIVQPWSA-N 2 1 354.516 3.075 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000560544126 505121091 /nfs/dbraw/zinc/12/10/91/505121091.db2.gz FFGWZPVBLHKWSR-FKBYEOEOSA-N 2 1 358.526 3.345 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000566244452 505121906 /nfs/dbraw/zinc/12/19/06/505121906.db2.gz UXXUSAXJGKEFRT-LZLYRXPVSA-N 2 1 358.461 3.176 20 0 FGADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000554250756 505124899 /nfs/dbraw/zinc/12/48/99/505124899.db2.gz VFISUZOYMYKJFJ-RZUBCFFCSA-N 2 1 370.924 3.307 20 0 FGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554250756 505124904 /nfs/dbraw/zinc/12/49/04/505124904.db2.gz VFISUZOYMYKJFJ-RZUBCFFCSA-N 2 1 370.924 3.307 20 0 FGADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000554250756 505124909 /nfs/dbraw/zinc/12/49/09/505124909.db2.gz VFISUZOYMYKJFJ-RZUBCFFCSA-N 2 1 370.924 3.307 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cn2ccccc2n1 ZINC000563416029 505136957 /nfs/dbraw/zinc/13/69/57/505136957.db2.gz FLOJQUDPBHJNRR-XLIONFOSSA-N 2 1 364.493 3.142 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cn2ccccc2n1 ZINC000563416029 505136958 /nfs/dbraw/zinc/13/69/58/505136958.db2.gz FLOJQUDPBHJNRR-XLIONFOSSA-N 2 1 364.493 3.142 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)C[C@H]1c1ccccc1 ZINC000551085641 505153538 /nfs/dbraw/zinc/15/35/38/505153538.db2.gz DKUGRLOVAWMOFP-ROUUACIJSA-N 2 1 357.523 3.293 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)C[C@H]1c1ccccc1 ZINC000551085641 505153542 /nfs/dbraw/zinc/15/35/42/505153542.db2.gz DKUGRLOVAWMOFP-ROUUACIJSA-N 2 1 357.523 3.293 20 0 FGADMP O=C(Nc1ccn2ccnc2c1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000557539396 505160618 /nfs/dbraw/zinc/16/06/18/505160618.db2.gz CUBCVUJVNMDFOZ-UHFFFAOYSA-N 2 1 367.428 3.213 20 0 FGADMP O=C(Nc1ccn2ccnc2c1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000557539396 505160623 /nfs/dbraw/zinc/16/06/23/505160623.db2.gz CUBCVUJVNMDFOZ-UHFFFAOYSA-N 2 1 367.428 3.213 20 0 FGADMP CCOc1cccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000557549788 505164385 /nfs/dbraw/zinc/16/43/85/505164385.db2.gz IUOONGOYEOLMIG-UHFFFAOYSA-N 2 1 359.514 3.220 20 0 FGADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441291 505177619 /nfs/dbraw/zinc/17/76/19/505177619.db2.gz DEACFGKVXNZFOJ-MAUKXSAKSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441291 505177623 /nfs/dbraw/zinc/17/76/23/505177623.db2.gz DEACFGKVXNZFOJ-MAUKXSAKSA-N 2 1 351.922 3.037 20 0 FGADMP Cn1ccnc1[C@@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000554489252 505186061 /nfs/dbraw/zinc/18/60/61/505186061.db2.gz JISWGNUKBNZXLF-KXBFYZLASA-N 2 1 358.461 3.029 20 0 FGADMP C[C@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965869 505217594 /nfs/dbraw/zinc/21/75/94/505217594.db2.gz DJGFNSOJMBADBP-ODULNIPZSA-N 2 1 366.509 3.478 20 0 FGADMP Cc1ccc(-c2nnc([C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)o2)cc1C ZINC000554746401 505256006 /nfs/dbraw/zinc/25/60/06/505256006.db2.gz YDKDBVPHWQWRAD-SFHVURJKSA-N 2 1 373.545 3.230 20 0 FGADMP Cc1ccc(-c2nnc([C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)o2)cc1C ZINC000554746401 505256010 /nfs/dbraw/zinc/25/60/10/505256010.db2.gz YDKDBVPHWQWRAD-SFHVURJKSA-N 2 1 373.545 3.230 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)C(C)(C)C)CC2)CC1 ZINC000566806836 505278036 /nfs/dbraw/zinc/27/80/36/505278036.db2.gz WWGAEEVPZSIDCA-UHFFFAOYSA-N 2 1 351.579 3.371 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C[C@@H](C)C1 ZINC000558012324 505285630 /nfs/dbraw/zinc/28/56/30/505285630.db2.gz POFWCCPBWPXZQZ-JQVVWYNYSA-N 2 1 369.553 3.475 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000558022186 505288305 /nfs/dbraw/zinc/28/83/05/505288305.db2.gz HWVJMFVFITYAQO-NNMXDRDESA-N 2 1 369.553 3.087 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)c1 ZINC000566902287 505306871 /nfs/dbraw/zinc/30/68/71/505306871.db2.gz NHRMMEUPNGJFEI-KRWDZBQOSA-N 2 1 355.486 3.317 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977673 505328912 /nfs/dbraw/zinc/32/89/12/505328912.db2.gz XNWLDQOZARDGDO-QGZVFWFLSA-N 2 1 363.571 3.259 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977673 505328917 /nfs/dbraw/zinc/32/89/17/505328917.db2.gz XNWLDQOZARDGDO-QGZVFWFLSA-N 2 1 363.571 3.259 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977673 505328923 /nfs/dbraw/zinc/32/89/23/505328923.db2.gz XNWLDQOZARDGDO-QGZVFWFLSA-N 2 1 363.571 3.259 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117755 505330062 /nfs/dbraw/zinc/33/00/62/505330062.db2.gz MFFVRKRRQRUOBL-RDTXWAMCSA-N 2 1 369.912 3.353 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1F ZINC000564117755 505330064 /nfs/dbraw/zinc/33/00/64/505330064.db2.gz MFFVRKRRQRUOBL-RDTXWAMCSA-N 2 1 369.912 3.353 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000567046554 505348473 /nfs/dbraw/zinc/34/84/73/505348473.db2.gz GUPNELKWDTWWSJ-AYOQOUSVSA-N 2 1 357.523 3.256 20 0 FGADMP COc1ccc(C[N@@H+](C)CCCn2ccnc2)c(OCc2cccnc2)c1 ZINC000564322620 505383958 /nfs/dbraw/zinc/38/39/58/505383958.db2.gz YHSCEEHBCPLPNH-UHFFFAOYSA-N 2 1 366.465 3.388 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063800 505387075 /nfs/dbraw/zinc/38/70/75/505387075.db2.gz NLCBBKSWHOJVLC-VSKRKVRLSA-N 3 1 357.542 3.122 20 0 FGADMP CN1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H]2CCC[C@@H]21 ZINC000552063800 505387077 /nfs/dbraw/zinc/38/70/77/505387077.db2.gz NLCBBKSWHOJVLC-VSKRKVRLSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063800 505387080 /nfs/dbraw/zinc/38/70/80/505387080.db2.gz NLCBBKSWHOJVLC-VSKRKVRLSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063800 505387083 /nfs/dbraw/zinc/38/70/83/505387083.db2.gz NLCBBKSWHOJVLC-VSKRKVRLSA-N 2 1 357.542 3.122 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000558598426 505434663 /nfs/dbraw/zinc/43/46/63/505434663.db2.gz AUWWWNIXCSSTSC-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000567410583 505454342 /nfs/dbraw/zinc/45/43/42/505454342.db2.gz XDJVCJDKXICNTF-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000567410583 505454347 /nfs/dbraw/zinc/45/43/47/505454347.db2.gz XDJVCJDKXICNTF-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000567410583 505454350 /nfs/dbraw/zinc/45/43/50/505454350.db2.gz XDJVCJDKXICNTF-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000555560785 505457845 /nfs/dbraw/zinc/45/78/45/505457845.db2.gz MXGHMZKDWGQYPC-KRWDZBQOSA-N 2 1 356.514 3.406 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452940 505468301 /nfs/dbraw/zinc/46/83/01/505468301.db2.gz BCTCMNVWFCMWDC-IIBYNOLFSA-N 2 1 364.493 3.322 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(-c2nc(CC(F)(F)F)no2)c1 ZINC000562093067 505516310 /nfs/dbraw/zinc/51/63/10/505516310.db2.gz UWRVKSCZDULSAH-WFASDCNBSA-N 2 1 368.403 3.271 20 0 FGADMP CCc1ccc([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](CC)CC)cc1 ZINC000562181586 505534085 /nfs/dbraw/zinc/53/40/85/505534085.db2.gz SVOKZIUGJHFCBY-YYWHXJBOSA-N 2 1 359.558 3.478 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000567680715 505534238 /nfs/dbraw/zinc/53/42/38/505534238.db2.gz CXQJUDOQZIUBOW-AZUAARDMSA-N 2 1 356.510 3.290 20 0 FGADMP Cc1ccc([C@H](OC[C@H](O)C[NH2+]C2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000564844776 505536885 /nfs/dbraw/zinc/53/68/85/505536885.db2.gz PFYFKGCXZXTOBQ-DHIUTWEWSA-N 2 1 368.521 3.146 20 0 FGADMP CC(C)N1CC[C@H]([NH2+]CCCc2c[nH+]cn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000567748009 505555755 /nfs/dbraw/zinc/55/57/55/505555755.db2.gz HKVWTDHBGGNMIA-VQTJNVASSA-N 2 1 362.468 3.445 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)[C@]12CCCO2 ZINC000567851680 505568380 /nfs/dbraw/zinc/56/83/80/505568380.db2.gz WUCDLWOPVDJRMS-NNXSRULWSA-N 2 1 370.537 3.500 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[C@]12CCCO2 ZINC000567851680 505568382 /nfs/dbraw/zinc/56/83/82/505568382.db2.gz WUCDLWOPVDJRMS-NNXSRULWSA-N 2 1 370.537 3.500 20 0 FGADMP FC(F)(F)c1cccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000567889045 505570134 /nfs/dbraw/zinc/57/01/34/505570134.db2.gz WMHCGWMNEIVPLT-OKILXGFUSA-N 2 1 366.387 3.187 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000612048944 506410099 /nfs/dbraw/zinc/41/00/99/506410099.db2.gz DODDEFKPRXZBOX-CEWLAPEOSA-N 2 1 361.574 3.077 20 0 FGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000589197033 506478897 /nfs/dbraw/zinc/47/88/97/506478897.db2.gz UUGGBRYYWXOMDX-SFHVURJKSA-N 2 1 362.514 3.181 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000582922068 506490389 /nfs/dbraw/zinc/49/03/89/506490389.db2.gz VRNWJHLRSDZWMQ-LJQANCHMSA-N 2 1 359.558 3.444 20 0 FGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652594 506511064 /nfs/dbraw/zinc/51/10/64/506511064.db2.gz VJINYSFSAIYDTI-BDAKNGLRSA-N 2 1 352.647 3.160 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000582972059 506516912 /nfs/dbraw/zinc/51/69/12/506516912.db2.gz CEQGPLHYQQVOGQ-UTKZUKDTSA-N 2 1 351.494 3.270 20 0 FGADMP C[C@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000608693365 506668289 /nfs/dbraw/zinc/66/82/89/506668289.db2.gz PWDDOPOZTXNQEA-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP COCCCn1nccc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000583321792 506716786 /nfs/dbraw/zinc/71/67/86/506716786.db2.gz FEPXZWFGYOACBE-IRLDBZIGSA-N 2 1 370.541 3.092 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325215 506719161 /nfs/dbraw/zinc/71/91/61/506719161.db2.gz FJWOCOYZTCQTQP-STQMWFEESA-N 2 1 353.297 3.463 20 0 FGADMP Clc1cc(Cl)c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000583325215 506719164 /nfs/dbraw/zinc/71/91/64/506719164.db2.gz FJWOCOYZTCQTQP-STQMWFEESA-N 2 1 353.297 3.463 20 0 FGADMP O=C1[C@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000583441382 506781755 /nfs/dbraw/zinc/78/17/55/506781755.db2.gz YTLGIVCGBHAJOJ-IIYDPXPESA-N 2 1 368.308 3.030 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000600135471 506796803 /nfs/dbraw/zinc/79/68/03/506796803.db2.gz IDTOACQRTLGYPE-UHFFFAOYSA-N 2 1 355.482 3.388 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000600135471 506796806 /nfs/dbraw/zinc/79/68/06/506796806.db2.gz IDTOACQRTLGYPE-UHFFFAOYSA-N 2 1 355.482 3.388 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000583662956 506901288 /nfs/dbraw/zinc/90/12/88/506901288.db2.gz FUBNJJXOBZWMAS-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000583662956 506901293 /nfs/dbraw/zinc/90/12/93/506901293.db2.gz FUBNJJXOBZWMAS-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000583662956 506901300 /nfs/dbraw/zinc/90/13/00/506901300.db2.gz FUBNJJXOBZWMAS-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000583662956 506901306 /nfs/dbraw/zinc/90/13/06/506901306.db2.gz FUBNJJXOBZWMAS-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CC(C)c1[nH+]c(CNC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c2ccccn21 ZINC000583876193 507025099 /nfs/dbraw/zinc/02/50/99/507025099.db2.gz JENKHTVVXNUORN-SFTDATJTSA-N 2 1 370.541 3.315 20 0 FGADMP Cc1ccc(OCC[N@H+](C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)cc1 ZINC000613340913 507040545 /nfs/dbraw/zinc/04/05/45/507040545.db2.gz CGQWSATYCPNRTH-IBGZPJMESA-N 2 1 367.493 3.333 20 0 FGADMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000583994439 507093014 /nfs/dbraw/zinc/09/30/14/507093014.db2.gz BUJZRWCFFRQGPT-CQSZACIVSA-N 2 1 353.304 3.279 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000591097761 507113782 /nfs/dbraw/zinc/11/37/82/507113782.db2.gz FIAFBIYZLJEKHK-PMACEKPBSA-N 2 1 373.541 3.213 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2cc(C)cc(C)c2)CC1 ZINC000613491388 507117569 /nfs/dbraw/zinc/11/75/69/507117569.db2.gz PLWVZYREPWRNDM-OAQYLSRUSA-N 2 1 362.558 3.487 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000600831853 507141437 /nfs/dbraw/zinc/14/14/37/507141437.db2.gz HCPDBMFDGDUYHB-PMACEKPBSA-N 2 1 360.546 3.243 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000584113991 507160668 /nfs/dbraw/zinc/16/06/68/507160668.db2.gz VGPIFOBSRIMLIW-USXIJHARSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)cc1OC ZINC000584113991 507160678 /nfs/dbraw/zinc/16/06/78/507160678.db2.gz VGPIFOBSRIMLIW-USXIJHARSA-N 2 1 373.522 3.387 20 0 FGADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000584188201 507200627 /nfs/dbraw/zinc/20/06/27/507200627.db2.gz SKUJOICQCSJSII-VGKUOYCKSA-N 2 1 362.583 3.424 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC1CC[NH+](C)CC1 ZINC000591452006 507255702 /nfs/dbraw/zinc/25/57/02/507255702.db2.gz NSFZZQVAKCYTSV-GOSISDBHSA-N 2 1 373.541 3.011 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000584341710 507292552 /nfs/dbraw/zinc/29/25/52/507292552.db2.gz JOBFEEVNPOSJHC-GUDVDZBRSA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)CC2 ZINC000584341710 507292558 /nfs/dbraw/zinc/29/25/58/507292558.db2.gz JOBFEEVNPOSJHC-GUDVDZBRSA-N 2 1 353.514 3.141 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3ccc(I)cc32)C1 ZINC000595015363 507354935 /nfs/dbraw/zinc/35/49/35/507354935.db2.gz CQTTUJQKKRONGT-BLLLJJGKSA-N 2 1 370.278 3.210 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000584464669 507359380 /nfs/dbraw/zinc/35/93/80/507359380.db2.gz CSXBGSNNFFSPQQ-FCEWJHQRSA-N 2 1 354.922 3.100 20 0 FGADMP O=C(NCc1cccc(-n2ccnc2)c1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000584570610 507416587 /nfs/dbraw/zinc/41/65/87/507416587.db2.gz ZTHGIUUADPDGIC-HXUWFJFHSA-N 2 1 352.482 3.286 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000606627716 507458591 /nfs/dbraw/zinc/45/85/91/507458591.db2.gz XWQVGDCELJTVHW-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000606659594 507472392 /nfs/dbraw/zinc/47/23/92/507472392.db2.gz OOTBDALOIJVJOW-QKNQBKEWSA-N 2 1 374.573 3.411 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)n1C ZINC000602002983 507548689 /nfs/dbraw/zinc/54/86/89/507548689.db2.gz COXWIGNTJSJKAP-INIZCTEOSA-N 2 1 355.482 3.127 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H]1SC ZINC000592376588 507626636 /nfs/dbraw/zinc/62/66/36/507626636.db2.gz AWWKXHRAJRCBIF-AQNXPRMDSA-N 2 1 366.546 3.331 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000595825833 507701533 /nfs/dbraw/zinc/70/15/33/507701533.db2.gz JSCICDKNUQZGRR-VQTJNVASSA-N 2 1 364.578 3.301 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)on1 ZINC000602514744 507733764 /nfs/dbraw/zinc/73/37/64/507733764.db2.gz QCIQGYXWPUAPGW-IYBDPMFKSA-N 2 1 371.481 3.229 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)on1 ZINC000602514744 507733768 /nfs/dbraw/zinc/73/37/68/507733768.db2.gz QCIQGYXWPUAPGW-IYBDPMFKSA-N 2 1 371.481 3.229 20 0 FGADMP C[C@@H]1CN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000615193029 507773976 /nfs/dbraw/zinc/77/39/76/507773976.db2.gz CYLQUAJFAWXLBU-UGKGYDQZSA-N 2 1 369.553 3.199 20 0 FGADMP c1[nH+]c(C2CCN(c3ccnc(N4CCCCC4)n3)CC2)n2c1CCCC2 ZINC000330334995 568255309 /nfs/dbraw/zinc/25/53/09/568255309.db2.gz RCEWYVNAOISOPH-UHFFFAOYSA-N 2 1 366.513 3.384 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000643257918 568416978 /nfs/dbraw/zinc/41/69/78/568416978.db2.gz FQJKZTPSJBVVDM-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000643257918 568416979 /nfs/dbraw/zinc/41/69/79/568416979.db2.gz FQJKZTPSJBVVDM-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000643257918 568416980 /nfs/dbraw/zinc/41/69/80/568416980.db2.gz FQJKZTPSJBVVDM-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)Cn1cc[nH+]c1C ZINC000618173824 568520360 /nfs/dbraw/zinc/52/03/60/568520360.db2.gz AXZIOZHIJQSSJQ-UHFFFAOYSA-N 2 1 362.905 3.216 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824261872 608524517 /nfs/dbraw/zinc/52/45/17/608524517.db2.gz SNQSQFNPCKPVJM-OXJNMPFZSA-N 2 1 368.529 3.202 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585281 609325912 /nfs/dbraw/zinc/32/59/12/609325912.db2.gz PCFFCELHBNCCSO-GJZGRUSLSA-N 2 1 360.481 3.311 20 0 FGADMP CCC(CC)[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccnc1Cl)[NH+](C)C ZINC000133113251 700835122 /nfs/dbraw/zinc/83/51/22/700835122.db2.gz ZHQLHVGZYNZJDF-CJNGLKHVSA-N 2 1 354.926 3.408 20 0 FGADMP COc1cc(Cl)c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Cl ZINC000157235212 705148816 /nfs/dbraw/zinc/14/88/16/705148816.db2.gz HWEKKGNDHQKEBX-UHFFFAOYSA-N 2 1 360.329 3.119 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000160476703 705254408 /nfs/dbraw/zinc/25/44/08/705254408.db2.gz SEWJCYSOFRLGNC-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043206 705725599 /nfs/dbraw/zinc/72/55/99/705725599.db2.gz GXLHLKDSRBITFP-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043206 705725603 /nfs/dbraw/zinc/72/56/03/705725603.db2.gz GXLHLKDSRBITFP-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000180043206 705725607 /nfs/dbraw/zinc/72/56/07/705725607.db2.gz GXLHLKDSRBITFP-SFHVURJKSA-N 2 1 353.551 3.297 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000310608324 713799865 /nfs/dbraw/zinc/79/98/65/713799865.db2.gz BHEHLWKKTGRMHN-NSHDSACASA-N 2 1 355.223 3.147 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2c(O)ccc(Cl)c2F)cc1 ZINC000190785349 712822694 /nfs/dbraw/zinc/82/26/94/712822694.db2.gz RXBNDTYQAFFNTK-UHFFFAOYSA-N 2 1 352.837 3.415 20 0 FGADMP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192651041 712869463 /nfs/dbraw/zinc/86/94/63/712869463.db2.gz ZMRAGIXUDOUVBK-LBPRGKRZSA-N 2 1 360.329 3.376 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000246881667 713632095 /nfs/dbraw/zinc/63/20/95/713632095.db2.gz CTAJFBQTJFNNSL-BBWFWOEESA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000246881667 713632099 /nfs/dbraw/zinc/63/20/99/713632099.db2.gz CTAJFBQTJFNNSL-BBWFWOEESA-N 2 1 353.551 3.342 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C2 ZINC000323948518 713815122 /nfs/dbraw/zinc/81/51/22/713815122.db2.gz CFHLHZIFNHQVDQ-SJCJKPOMSA-N 2 1 356.297 3.383 20 0 FGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000641803210 717931179 /nfs/dbraw/zinc/93/11/79/717931179.db2.gz BOOWFKUYVITSFL-NWDGAFQWSA-N 2 1 350.677 3.301 20 0 FGADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000419225303 714010772 /nfs/dbraw/zinc/01/07/72/714010772.db2.gz CIHDQAQXSJIWDF-NRFANRHFSA-N 2 1 353.595 3.176 20 0 FGADMP CO[C@@H](CC(C)C)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000419225303 714010775 /nfs/dbraw/zinc/01/07/75/714010775.db2.gz CIHDQAQXSJIWDF-NRFANRHFSA-N 3 1 353.595 3.176 20 0 FGADMP CO[C@@H](CC(C)C)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000419225303 714010780 /nfs/dbraw/zinc/01/07/80/714010780.db2.gz CIHDQAQXSJIWDF-NRFANRHFSA-N 3 1 353.595 3.176 20 0 FGADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447837468 714037106 /nfs/dbraw/zinc/03/71/06/714037106.db2.gz UYTUDAPNYVDPHZ-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837468 714037110 /nfs/dbraw/zinc/03/71/10/714037110.db2.gz UYTUDAPNYVDPHZ-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837468 714037112 /nfs/dbraw/zinc/03/71/12/714037112.db2.gz UYTUDAPNYVDPHZ-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cccc(S(C)(=O)=O)c2)c1 ZINC000449098333 714040472 /nfs/dbraw/zinc/04/04/72/714040472.db2.gz ITPMJVXWWYVNCQ-UHFFFAOYSA-N 2 1 360.523 3.220 20 0 FGADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479940749 714090647 /nfs/dbraw/zinc/09/06/47/714090647.db2.gz MQJPWJFMAKIXNO-GASCZTMLSA-N 2 1 358.917 3.474 20 0 FGADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479940749 714090652 /nfs/dbraw/zinc/09/06/52/714090652.db2.gz MQJPWJFMAKIXNO-GASCZTMLSA-N 2 1 358.917 3.474 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cc(Cl)cs1 ZINC000522956319 714213678 /nfs/dbraw/zinc/21/36/78/714213678.db2.gz WCLPMFQEZSPZNA-INIZCTEOSA-N 2 1 371.978 3.209 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+](C)C(C)C)c1ccccc1Cl ZINC000523194582 714222323 /nfs/dbraw/zinc/22/23/23/714222323.db2.gz FTMBYBMNLXAWKT-GOSISDBHSA-N 2 1 368.953 3.362 20 0 FGADMP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000523603263 714243161 /nfs/dbraw/zinc/24/31/61/714243161.db2.gz KNXJUBZDFNDEGX-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812590 714254117 /nfs/dbraw/zinc/25/41/17/714254117.db2.gz MFWIVYLLIIEXDK-FUHWJXTLSA-N 2 1 366.575 3.161 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3ccc(F)cc32)c2cccs2)CC1 ZINC000531678154 714425652 /nfs/dbraw/zinc/42/56/52/714425652.db2.gz CYVGCDNUMOJALY-RBUKOAKNSA-N 2 1 359.514 3.453 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000642630907 717985879 /nfs/dbraw/zinc/98/58/79/717985879.db2.gz QPRSQXCHIPQCLG-IMJJTQAJSA-N 2 1 365.905 3.282 20 0 FGADMP Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504461 714663532 /nfs/dbraw/zinc/66/35/32/714663532.db2.gz XCVWVNGPKKNAQI-ZDUSSCGKSA-N 2 1 365.905 3.396 20 0 FGADMP Cc1c2cc(Cl)ccc2oc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504461 714663533 /nfs/dbraw/zinc/66/35/33/714663533.db2.gz XCVWVNGPKKNAQI-ZDUSSCGKSA-N 2 1 365.905 3.396 20 0 FGADMP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(Br)cn1 ZINC000621254838 714974649 /nfs/dbraw/zinc/97/46/49/714974649.db2.gz MGTWWIBFWUEKEG-UHFFFAOYSA-N 2 1 370.335 3.405 20 0 FGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(Br)cn1 ZINC000621254838 714974651 /nfs/dbraw/zinc/97/46/51/714974651.db2.gz MGTWWIBFWUEKEG-UHFFFAOYSA-N 2 1 370.335 3.405 20 0 FGADMP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000621641691 715013933 /nfs/dbraw/zinc/01/39/33/715013933.db2.gz RYAAQENBIWCIQE-QGZVFWFLSA-N 2 1 363.933 3.154 20 0 FGADMP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000621641691 715013935 /nfs/dbraw/zinc/01/39/35/715013935.db2.gz RYAAQENBIWCIQE-QGZVFWFLSA-N 2 1 363.933 3.154 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086298 715162519 /nfs/dbraw/zinc/16/25/19/715162519.db2.gz IPIDQMFZLVVCMK-UHFFFAOYSA-N 2 1 374.286 3.009 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c2ccccc21 ZINC000643489058 718036328 /nfs/dbraw/zinc/03/63/28/718036328.db2.gz QLHFEAZTIJYXOH-DAXOMENPSA-N 2 1 355.404 3.054 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623396344 715326936 /nfs/dbraw/zinc/32/69/36/715326936.db2.gz PCZRERHOGGFLFH-JKSUJKDBSA-N 2 1 351.922 3.390 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccsc1 ZINC000623420826 715332215 /nfs/dbraw/zinc/33/22/15/715332215.db2.gz PLOLFAQKLYQSOZ-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1Cl ZINC000623453583 715339128 /nfs/dbraw/zinc/33/91/28/715339128.db2.gz VVCWAAHJFRUFLP-MSOLQXFVSA-N 2 1 352.906 3.206 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000623454517 715339713 /nfs/dbraw/zinc/33/97/13/715339713.db2.gz ILLQLTOISQBTBK-DOTOQJQBSA-N 2 1 358.448 3.319 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCCO3)CC2)cs1 ZINC000623892564 715426155 /nfs/dbraw/zinc/42/61/55/715426155.db2.gz SYXKHKNUXAAPDK-CRAIPNDOSA-N 2 1 351.560 3.465 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121304 715477596 /nfs/dbraw/zinc/47/75/96/715477596.db2.gz SVZKIDAQZAXBIK-AEFFLSMTSA-N 2 1 365.949 3.399 20 0 FGADMP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756967 716179899 /nfs/dbraw/zinc/17/98/99/716179899.db2.gz YWPFJPBVFKENRY-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756967 716179912 /nfs/dbraw/zinc/17/99/12/716179912.db2.gz YWPFJPBVFKENRY-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756967 716179919 /nfs/dbraw/zinc/17/99/19/716179919.db2.gz YWPFJPBVFKENRY-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756967 716179924 /nfs/dbraw/zinc/17/99/24/716179924.db2.gz YWPFJPBVFKENRY-HKUYNNGSSA-N 2 1 363.933 3.153 20 0 FGADMP [NH3+]C1(C[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CCOCC1 ZINC000629522335 716302471 /nfs/dbraw/zinc/30/24/71/716302471.db2.gz ZYKVSXIIYJMLTB-OAHLLOKOSA-N 2 1 357.267 3.137 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657353 716331511 /nfs/dbraw/zinc/33/15/11/716331511.db2.gz WWXNQWKPHWAXQB-HOCLYGCPSA-N 2 1 352.404 3.046 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657353 716331516 /nfs/dbraw/zinc/33/15/16/716331516.db2.gz WWXNQWKPHWAXQB-HOCLYGCPSA-N 2 1 352.404 3.046 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)CC[N@H+]1C ZINC000630870947 716523829 /nfs/dbraw/zinc/52/38/29/716523829.db2.gz COTRIIHPAUDUFO-PKOBYXMFSA-N 2 1 361.555 3.213 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639062277 717510654 /nfs/dbraw/zinc/51/06/54/717510654.db2.gz WVJUUZMMLJTGJG-QUCCMNQESA-N 2 1 364.555 3.159 20 0 FGADMP CS(=O)(=O)CCCCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639062277 717510657 /nfs/dbraw/zinc/51/06/57/717510657.db2.gz WVJUUZMMLJTGJG-QUCCMNQESA-N 2 1 364.555 3.159 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC4CCSCC4)CC3)C2)cc1 ZINC000639163420 717526760 /nfs/dbraw/zinc/52/67/60/717526760.db2.gz XZDVYEWCPKVVHK-NRFANRHFSA-N 2 1 359.583 3.022 20 0 FGADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172027 717528045 /nfs/dbraw/zinc/52/80/45/717528045.db2.gz GMXNIBNYOWURAG-INIZCTEOSA-N 2 1 371.356 3.176 20 0 FGADMP C[N@@H+](Cc1cc(Cl)cc(Cl)c1N)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639172027 717528050 /nfs/dbraw/zinc/52/80/50/717528050.db2.gz GMXNIBNYOWURAG-INIZCTEOSA-N 2 1 371.356 3.176 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CS1 ZINC000639210939 717532271 /nfs/dbraw/zinc/53/22/71/717532271.db2.gz PQEDONOQAMLYFQ-HOJAQTOUSA-N 2 1 360.567 3.399 20 0 FGADMP C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757747 717599082 /nfs/dbraw/zinc/59/90/82/717599082.db2.gz PEGGXJYLERXRBX-AWEZNQCLSA-N 2 1 358.511 3.041 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758514 717599142 /nfs/dbraw/zinc/59/91/42/717599142.db2.gz VVYNMHFYEQEUMV-IAGOWNOFSA-N 2 1 361.555 3.218 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760136 717599978 /nfs/dbraw/zinc/59/99/78/717599978.db2.gz RCAUZJCLHHGTTC-UHFFFAOYSA-N 2 1 365.905 3.095 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000640534319 717761155 /nfs/dbraw/zinc/76/11/55/717761155.db2.gz PNBLDFWCVRHKRR-IBGZPJMESA-N 2 1 351.579 3.469 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC000644564585 718124983 /nfs/dbraw/zinc/12/49/83/718124983.db2.gz HTVFOMXMKXMHDN-SFHVURJKSA-N 2 1 350.865 3.104 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1ccc(F)cc1Cl ZINC000644564585 718124985 /nfs/dbraw/zinc/12/49/85/718124985.db2.gz HTVFOMXMKXMHDN-SFHVURJKSA-N 2 1 350.865 3.104 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC000646017532 718258502 /nfs/dbraw/zinc/25/85/02/718258502.db2.gz YBNZZIRZZJKQJL-MRXNPFEDSA-N 2 1 357.376 3.194 20 0 FGADMP C[C@@H]1CC2(C[NH+]1CCC[N@@H+]1CC3(C[C@H]1C)CCOCC3)CCOCC2 ZINC000646096781 718262988 /nfs/dbraw/zinc/26/29/88/718262988.db2.gz UNXQMCGSYTUHPR-RTBURBONSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103878 718263959 /nfs/dbraw/zinc/26/39/59/718263959.db2.gz RTEKXRHUUHPYHP-AWEZNQCLSA-N 2 1 358.404 3.443 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(OC(F)F)ccc1Br ZINC000647177208 718337998 /nfs/dbraw/zinc/33/79/98/718337998.db2.gz PXIOHRVJXUNBMS-UHFFFAOYSA-N 2 1 360.202 3.345 20 0 FGADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647249041 718343393 /nfs/dbraw/zinc/34/33/93/718343393.db2.gz ZCYOXTNXWAPJQA-MJGOQNOKSA-N 2 1 358.555 3.424 20 0 FGADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000647249041 718343396 /nfs/dbraw/zinc/34/33/96/718343396.db2.gz ZCYOXTNXWAPJQA-MJGOQNOKSA-N 2 1 358.555 3.424 20 0 FGADMP COC[C@H]1CCC[NH+]1Cc1cc(C[N@@H+]2CCC[C@@H]2COC)ccc1F ZINC000649339097 718505699 /nfs/dbraw/zinc/50/56/99/718505699.db2.gz MGZRYMHAAMENOV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@H]1CCC[NH+]1Cc1ccc(F)c(C[N@@H+]2CCC[C@@H]2COC)c1 ZINC000649339097 718505702 /nfs/dbraw/zinc/50/57/02/718505702.db2.gz MGZRYMHAAMENOV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@H]1CCC[NH+]1Cc1ccc(F)c(C[N@H+]2CCC[C@@H]2COC)c1 ZINC000649339097 718505721 /nfs/dbraw/zinc/50/57/21/718505721.db2.gz MGZRYMHAAMENOV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP COc1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(SC)cc1OC ZINC000650717900 718719065 /nfs/dbraw/zinc/71/90/65/718719065.db2.gz QDFZDIXBUWWTGJ-UHFFFAOYSA-N 2 1 350.459 3.313 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722660 718720478 /nfs/dbraw/zinc/72/04/78/718720478.db2.gz YTAGWNGZQYVFRJ-XOKHGSTOSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722660 718720482 /nfs/dbraw/zinc/72/04/82/718720482.db2.gz YTAGWNGZQYVFRJ-XOKHGSTOSA-N 2 1 371.294 3.449 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219721 718783758 /nfs/dbraw/zinc/78/37/58/718783758.db2.gz FWIVCQFAIYQMDD-HKUYNNGSSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219721 718783761 /nfs/dbraw/zinc/78/37/61/718783761.db2.gz FWIVCQFAIYQMDD-HKUYNNGSSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219721 718783763 /nfs/dbraw/zinc/78/37/63/718783763.db2.gz FWIVCQFAIYQMDD-HKUYNNGSSA-N 2 1 352.567 3.155 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361798 718936911 /nfs/dbraw/zinc/93/69/11/718936911.db2.gz PMFPAYFZVDJQEY-NJAFHUGGSA-N 2 1 365.905 3.029 20 0 FGADMP Clc1ccc(C[NH+]2CCCC2)c(N2C[C@H]3[NH2+]Cc4ccccc4[C@H]3C2)n1 ZINC001164424316 718943489 /nfs/dbraw/zinc/94/34/89/718943489.db2.gz NWBAFANBOQMBAD-RTBURBONSA-N 2 1 368.912 3.406 20 0 FGADMP Cc1cc(Cl)ccc1OCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655707440 719328047 /nfs/dbraw/zinc/32/80/47/719328047.db2.gz RZZWTQHGTMZWIE-GOSISDBHSA-N 2 1 352.906 3.260 20 0 FGADMP Clc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655721923 719329828 /nfs/dbraw/zinc/32/98/28/719329828.db2.gz TYAFLLNKYMVZQH-ICSRJNTNSA-N 2 1 363.933 3.152 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728018 719330488 /nfs/dbraw/zinc/33/04/88/719330488.db2.gz SXEUHGBLYIJOLG-KRWDZBQOSA-N 2 1 353.304 3.100 20 0 FGADMP Brc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655772245 719337455 /nfs/dbraw/zinc/33/74/55/719337455.db2.gz DRSNANBHTOBGBT-QFRLHKFZSA-N 2 1 365.315 3.305 20 0 FGADMP c1ccc2c(c1)O[C@@H](CC[NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CS2 ZINC000655779189 719339218 /nfs/dbraw/zinc/33/92/18/719339218.db2.gz FMZHJSFRBVCJDT-ROUUACIJSA-N 2 1 362.539 3.163 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143682 719762621 /nfs/dbraw/zinc/76/26/21/719762621.db2.gz ZTFCLLVROFUOGQ-ROUUACIJSA-N 2 1 357.523 3.185 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658169995 719765853 /nfs/dbraw/zinc/76/58/53/719765853.db2.gz OOVAWVYWZAEWDV-MANSERQUSA-N 2 1 350.453 3.443 20 0 FGADMP C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658321082 719785282 /nfs/dbraw/zinc/78/52/82/719785282.db2.gz LHKKEGBPIJPCKF-AEFFLSMTSA-N 2 1 352.469 3.427 20 0 FGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815408 720126514 /nfs/dbraw/zinc/12/65/14/720126514.db2.gz VJBLTGPAHCKLAL-UWJYYQICSA-N 2 1 354.498 3.056 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284225 720409821 /nfs/dbraw/zinc/40/98/21/720409821.db2.gz MDIMAQNVPYWDJV-OIISXLGYSA-N 2 1 356.482 3.418 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285549 720409947 /nfs/dbraw/zinc/40/99/47/720409947.db2.gz LJFCFGSSKFOZRK-LXZKKBNFSA-N 2 1 356.482 3.275 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nn2)cc1 ZINC000662291940 720411026 /nfs/dbraw/zinc/41/10/26/720411026.db2.gz ATQWCPLGELOBHT-INIZCTEOSA-N 2 1 359.905 3.132 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296748 720411477 /nfs/dbraw/zinc/41/14/77/720411477.db2.gz MZAGOSIEMHYJTM-DOTOQJQBSA-N 2 1 361.555 3.447 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1Cl ZINC000662315790 720414599 /nfs/dbraw/zinc/41/45/99/720414599.db2.gz STQZENMDXHEUAU-IIDMSEBBSA-N 2 1 351.922 3.357 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662397030 720424802 /nfs/dbraw/zinc/42/48/02/720424802.db2.gz SSHZXLRGEUUGOE-CXAGYDPISA-N 2 1 370.324 3.341 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc(Cl)c1Cl ZINC000662470375 720431730 /nfs/dbraw/zinc/43/17/30/720431730.db2.gz GKLFYMSZBLOWHV-GUYCJALGSA-N 2 1 370.324 3.198 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662482061 720433698 /nfs/dbraw/zinc/43/36/98/720433698.db2.gz RSRAVELLADPKTC-DYVFJYSZSA-N 2 1 372.340 3.444 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512893 720437266 /nfs/dbraw/zinc/43/72/66/720437266.db2.gz MPZQXWKSKRPIKX-WMZOPIPTSA-N 2 1 355.885 3.117 20 0 FGADMP CC(C)[NH2+]CC(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662512893 720437267 /nfs/dbraw/zinc/43/72/67/720437267.db2.gz MPZQXWKSKRPIKX-WMZOPIPTSA-N 2 1 355.885 3.117 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662536766 720439595 /nfs/dbraw/zinc/43/95/95/720439595.db2.gz ZQINIJYLFOJXFG-DLBZAZTESA-N 2 1 370.324 3.201 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000662752172 720456092 /nfs/dbraw/zinc/45/60/92/720456092.db2.gz GLBWCJVRTWTVNF-IAGOWNOFSA-N 2 1 367.827 3.037 20 0 FGADMP C[NH2+][C@@H](C(=O)N(C)CC1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662821567 720461384 /nfs/dbraw/zinc/46/13/84/720461384.db2.gz HNOWOLQASXMRTM-MRXNPFEDSA-N 2 1 358.313 3.054 20 0 FGADMP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000665194123 720741451 /nfs/dbraw/zinc/74/14/51/720741451.db2.gz XHQSOFFOQKWKHE-HNNXBMFYSA-N 2 1 354.926 3.350 20 0 FGADMP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1 ZINC000665194123 720741456 /nfs/dbraw/zinc/74/14/56/720741456.db2.gz XHQSOFFOQKWKHE-HNNXBMFYSA-N 2 1 354.926 3.350 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cncc(Br)c2C)C1 ZINC000667681618 721155891 /nfs/dbraw/zinc/15/58/91/721155891.db2.gz MYIRRJGJAQOWKA-MRXNPFEDSA-N 2 1 370.335 3.085 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncc(Br)c2C)C1 ZINC000667681618 721155894 /nfs/dbraw/zinc/15/58/94/721155894.db2.gz MYIRRJGJAQOWKA-MRXNPFEDSA-N 2 1 370.335 3.085 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)cc1 ZINC000667735180 721165950 /nfs/dbraw/zinc/16/59/50/721165950.db2.gz LNKVIBSMUGVFMD-QZTJIDSGSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccc(Cl)cc1 ZINC000667735180 721165957 /nfs/dbraw/zinc/16/59/57/721165957.db2.gz LNKVIBSMUGVFMD-QZTJIDSGSA-N 2 1 358.873 3.366 20 0 FGADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c12 ZINC001164774275 721290350 /nfs/dbraw/zinc/29/03/50/721290350.db2.gz YPJAZKPWKIJBHK-UHFFFAOYSA-N 2 1 351.498 3.469 20 0 FGADMP c1cn(C2CCCC2)c2nc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001164774275 721290352 /nfs/dbraw/zinc/29/03/52/721290352.db2.gz YPJAZKPWKIJBHK-UHFFFAOYSA-N 2 1 351.498 3.469 20 0 FGADMP Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c(C[NH3+])c1 ZINC001164795448 721498838 /nfs/dbraw/zinc/49/88/38/721498838.db2.gz HEWZJYZKUGKKIY-UHFFFAOYSA-N 2 1 365.525 3.125 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000674877610 721718336 /nfs/dbraw/zinc/71/83/36/721718336.db2.gz ZTEVUAJVSNSCSL-UHFFFAOYSA-N 2 1 361.511 3.393 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc1N ZINC001165022137 721822159 /nfs/dbraw/zinc/82/21/59/721822159.db2.gz GKOUHFOQEHMVJC-XKGZKEIXSA-N 2 1 351.498 3.104 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH+]2CCN(Cc3ccsc3)CC2)cc1 ZINC000678128640 721940230 /nfs/dbraw/zinc/94/02/30/721940230.db2.gz VMLOHAQBJWWWEC-UHFFFAOYSA-N 2 1 359.539 3.006 20 0 FGADMP C[NH+](C)CCOc1ccc(CN2CC[NH+](Cc3ccsc3)CC2)cc1 ZINC000678128640 721940231 /nfs/dbraw/zinc/94/02/31/721940231.db2.gz VMLOHAQBJWWWEC-UHFFFAOYSA-N 2 1 359.539 3.006 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678212163 721944351 /nfs/dbraw/zinc/94/43/51/721944351.db2.gz SUIOXQVLBIFKRJ-UHFFFAOYSA-N 2 1 371.978 3.318 20 0 FGADMP C[NH+](C)Cc1ccnc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1 ZINC001164963975 722023689 /nfs/dbraw/zinc/02/36/89/722023689.db2.gz UWWIAHAWOYDFTN-UHFFFAOYSA-N 2 1 365.525 3.031 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000682646813 722260396 /nfs/dbraw/zinc/26/03/96/722260396.db2.gz GILVWSMEKIDLMW-SJORKVTESA-N 2 1 364.287 3.235 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000721036839 722419802 /nfs/dbraw/zinc/41/98/02/722419802.db2.gz PNOFWKKPIGKLTG-HZPDHXFCSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727469587 722444864 /nfs/dbraw/zinc/44/48/64/722444864.db2.gz WUTMSTPPCLPZJY-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727469587 722444865 /nfs/dbraw/zinc/44/48/65/722444865.db2.gz WUTMSTPPCLPZJY-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727469585 722444900 /nfs/dbraw/zinc/44/49/00/722444900.db2.gz WUTMSTPPCLPZJY-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727469585 722444901 /nfs/dbraw/zinc/44/49/01/722444901.db2.gz WUTMSTPPCLPZJY-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855304 722571855 /nfs/dbraw/zinc/57/18/55/722571855.db2.gz KCAYHOSZXFBXSY-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855304 722571856 /nfs/dbraw/zinc/57/18/56/722571856.db2.gz KCAYHOSZXFBXSY-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000743855304 722571857 /nfs/dbraw/zinc/57/18/57/722571857.db2.gz KCAYHOSZXFBXSY-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000745735863 722590049 /nfs/dbraw/zinc/59/00/49/722590049.db2.gz KFAKVJWAEGFIRJ-SJORKVTESA-N 2 1 366.575 3.175 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347366 722725445 /nfs/dbraw/zinc/72/54/45/722725445.db2.gz WLGJOOYLFONFRS-WBAXXEDZSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347366 722725447 /nfs/dbraw/zinc/72/54/47/722725447.db2.gz WLGJOOYLFONFRS-WBAXXEDZSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000749347366 722725448 /nfs/dbraw/zinc/72/54/48/722725448.db2.gz WLGJOOYLFONFRS-WBAXXEDZSA-N 2 1 358.448 3.271 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000753763038 722911754 /nfs/dbraw/zinc/91/17/54/722911754.db2.gz LTWXBUNBSKFUBL-UWVAXJGDSA-N 2 1 353.551 3.344 20 0 FGADMP COCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000792925297 723382982 /nfs/dbraw/zinc/38/29/82/723382982.db2.gz JONQSUUFQKNEPW-YOEHRIQHSA-N 2 1 361.313 3.117 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000764467397 723415645 /nfs/dbraw/zinc/41/56/45/723415645.db2.gz VVRROKVULSBNJF-HOCLYGCPSA-N 2 1 364.946 3.436 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765817700 723542807 /nfs/dbraw/zinc/54/28/07/723542807.db2.gz PQLOFULBBCGVQP-FFZOFVMBSA-N 2 1 368.949 3.274 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000767436203 723619362 /nfs/dbraw/zinc/61/93/62/723619362.db2.gz CITFRNIWVJJGKU-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C[C@H]1C ZINC000767436203 723619363 /nfs/dbraw/zinc/61/93/63/723619363.db2.gz CITFRNIWVJJGKU-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP CN(CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000769942106 723701591 /nfs/dbraw/zinc/70/15/91/723701591.db2.gz GXYPIZLLINZETC-SFHVURJKSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@@H]([NH2+]C1CC(NC(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000798187888 723912112 /nfs/dbraw/zinc/91/21/12/723912112.db2.gz VFDJZKMTQRRMMW-XNIRIUNOSA-N 2 1 351.535 3.285 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178441 723995531 /nfs/dbraw/zinc/99/55/31/723995531.db2.gz VGPPPYFQWFQLFG-UHFFFAOYSA-N 2 1 369.962 3.168 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788249309 725052812 /nfs/dbraw/zinc/05/28/12/725052812.db2.gz TXPSMIJJYXBFMJ-IAGOWNOFSA-N 2 1 350.507 3.397 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788592216 725074359 /nfs/dbraw/zinc/07/43/59/725074359.db2.gz ATQYPKYYQXXFMS-IYBDPMFKSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788592216 725074362 /nfs/dbraw/zinc/07/43/62/725074362.db2.gz ATQYPKYYQXXFMS-IYBDPMFKSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000788593950 725074456 /nfs/dbraw/zinc/07/44/56/725074456.db2.gz JLCDPCATRJXIGZ-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000788593950 725074459 /nfs/dbraw/zinc/07/44/59/725074459.db2.gz JLCDPCATRJXIGZ-WMZOPIPTSA-N 2 1 353.551 3.486 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731492 725084247 /nfs/dbraw/zinc/08/42/47/725084247.db2.gz BTSDJZRSQHUDJQ-QZTJIDSGSA-N 2 1 357.885 3.079 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCc3ccc(Cl)nc32)C1 ZINC000788731492 725084249 /nfs/dbraw/zinc/08/42/49/725084249.db2.gz BTSDJZRSQHUDJQ-QZTJIDSGSA-N 2 1 357.885 3.079 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccccc2I)CC1 ZINC000789558741 725136474 /nfs/dbraw/zinc/13/64/74/725136474.db2.gz BATSMMBTAQCBIV-UHFFFAOYSA-N 2 1 370.278 3.351 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccccc2I)CC1 ZINC000789558741 725136476 /nfs/dbraw/zinc/13/64/76/725136476.db2.gz BATSMMBTAQCBIV-UHFFFAOYSA-N 2 1 370.278 3.351 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000810195823 725296062 /nfs/dbraw/zinc/29/60/62/725296062.db2.gz DQPJJBSOUDFBCT-HXUWFJFHSA-N 2 1 355.542 3.361 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336125 726862420 /nfs/dbraw/zinc/86/24/20/726862420.db2.gz LRYSVGABQOHOQW-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336125 726862422 /nfs/dbraw/zinc/86/24/22/726862422.db2.gz LRYSVGABQOHOQW-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336125 726862426 /nfs/dbraw/zinc/86/24/26/726862426.db2.gz LRYSVGABQOHOQW-SQNIBIBYSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290477 727236559 /nfs/dbraw/zinc/23/65/59/727236559.db2.gz DBAKYKORICLISL-VSZNYVQBSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290477 727236562 /nfs/dbraw/zinc/23/65/62/727236562.db2.gz DBAKYKORICLISL-VSZNYVQBSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817290477 727236564 /nfs/dbraw/zinc/23/65/64/727236564.db2.gz DBAKYKORICLISL-VSZNYVQBSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817890434 727287169 /nfs/dbraw/zinc/28/71/69/727287169.db2.gz TWEZJLFOUDUGOS-DOPJRALCSA-N 2 1 352.400 3.287 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819151960 727353149 /nfs/dbraw/zinc/35/31/49/727353149.db2.gz IXFFHESQJFSWBZ-PBHICJAKSA-N 2 1 355.320 3.050 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152225 727353162 /nfs/dbraw/zinc/35/31/62/727353162.db2.gz OQCLVJVHFCBVFW-PBHICJAKSA-N 2 1 360.420 3.186 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436854 729280741 /nfs/dbraw/zinc/28/07/41/729280741.db2.gz DNAJRMGMOLGQFK-AEFFLSMTSA-N 2 1 353.551 3.296 20 0 FGADMP O[C@H](C[NH+]1CCCC1)C[NH+]1CCC(F)(Cc2ccc(Cl)cc2)CC1 ZINC000831509010 729647553 /nfs/dbraw/zinc/64/75/53/729647553.db2.gz CJHOMVWHGGWINH-GOSISDBHSA-N 2 1 354.897 3.143 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513344 729808909 /nfs/dbraw/zinc/80/89/09/729808909.db2.gz KYBYIXLCGXZHLA-OWSLCNJRSA-N 2 1 351.535 3.381 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000834907284 729845182 /nfs/dbraw/zinc/84/51/82/729845182.db2.gz NBMYWARDLDOGPS-FLXSYLCISA-N 2 1 351.535 3.142 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810935 730177681 /nfs/dbraw/zinc/17/76/81/730177681.db2.gz WQCOSOPLNOKHIT-KURKYZTESA-N 2 1 353.551 3.391 20 0 FGADMP CC[N@H+](CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(C)C ZINC000842673136 730529042 /nfs/dbraw/zinc/52/90/42/730529042.db2.gz FJVZEQRCPUYDDC-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CC[N@@H+](CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1)C(C)C ZINC000842673136 730529045 /nfs/dbraw/zinc/52/90/45/730529045.db2.gz FJVZEQRCPUYDDC-RCCFBDPRSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125725 730589062 /nfs/dbraw/zinc/58/90/62/730589062.db2.gz GIHVWAFHIOGIBK-GJZGRUSLSA-N 2 1 361.921 3.487 20 0 FGADMP C[C@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000843354214 730609793 /nfs/dbraw/zinc/60/97/93/730609793.db2.gz YTNKSAMBXAXOIQ-XGNXJENSSA-N 2 1 358.313 3.372 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCC([NH3+])CC1 ZINC000843353833 730610043 /nfs/dbraw/zinc/61/00/43/730610043.db2.gz MFKLPWLPKILRHN-UHFFFAOYSA-N 2 1 361.820 3.082 20 0 FGADMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Br)c1OC ZINC000843363601 730610756 /nfs/dbraw/zinc/61/07/56/730610756.db2.gz BDQCZYBJSZGIHV-UHFFFAOYSA-N 2 1 369.303 3.042 20 0 FGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363756 730610995 /nfs/dbraw/zinc/61/09/95/730610995.db2.gz OFPPVQJXAKQFCM-CQSZACIVSA-N 2 1 360.889 3.450 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358519 730707294 /nfs/dbraw/zinc/70/72/94/730707294.db2.gz XNQNKBKPUBXQTM-QKLQHJQFSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358519 730707296 /nfs/dbraw/zinc/70/72/96/730707296.db2.gz XNQNKBKPUBXQTM-QKLQHJQFSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@]2(CNC(=O)OC(C)(C)C)C1 ZINC000844358519 730707297 /nfs/dbraw/zinc/70/72/97/730707297.db2.gz XNQNKBKPUBXQTM-QKLQHJQFSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844925838 730790455 /nfs/dbraw/zinc/79/04/55/730790455.db2.gz VNHSCIOZQVEQGG-NSHDSACASA-N 2 1 372.412 3.132 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@]3(C)C[C@]3(F)Cl)CC2)CC1 ZINC000848241280 731148440 /nfs/dbraw/zinc/14/84/40/731148440.db2.gz LULJBFGLKAKPSH-RTBURBONSA-N 2 1 373.944 3.004 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc(Cl)cc(Cl)c1 ZINC000848529041 731176073 /nfs/dbraw/zinc/17/60/73/731176073.db2.gz QRIRFJDVXUVUAO-MSOLQXFVSA-N 2 1 373.324 3.260 20 0 FGADMP Cn1c(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC000848547166 731179188 /nfs/dbraw/zinc/17/91/88/731179188.db2.gz LBFNTGJWPIJXPU-QXAKKESOSA-N 2 1 358.917 3.464 20 0 FGADMP [NH2+]=C(NCCc1cccs1)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849068527 731225740 /nfs/dbraw/zinc/22/57/40/731225740.db2.gz NMLZMFMTQVNOLD-SFHVURJKSA-N 2 1 356.539 3.317 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000849276218 731240576 /nfs/dbraw/zinc/24/05/76/731240576.db2.gz CNHCDFDQEXVFPR-LBPRGKRZSA-N 2 1 360.930 3.038 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=S)Nc1ccc(F)c(Cl)c1 ZINC000849276218 731240579 /nfs/dbraw/zinc/24/05/79/731240579.db2.gz CNHCDFDQEXVFPR-LBPRGKRZSA-N 2 1 360.930 3.038 20 0 FGADMP Cn1cc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c(Cl)n1 ZINC000856774845 732058358 /nfs/dbraw/zinc/05/83/58/732058358.db2.gz TWBSGAQVXHIFGH-UHFFFAOYSA-N 2 1 361.921 3.464 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c(Cl)n1 ZINC000856795219 732062169 /nfs/dbraw/zinc/06/21/69/732062169.db2.gz CHTJSEKPQCUBKO-SFHVURJKSA-N 2 1 358.917 3.465 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c(Cl)n1 ZINC000856795219 732062175 /nfs/dbraw/zinc/06/21/75/732062175.db2.gz CHTJSEKPQCUBKO-SFHVURJKSA-N 2 1 358.917 3.465 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913691 732168977 /nfs/dbraw/zinc/16/89/77/732168977.db2.gz DUNVGMFLBXCRAK-QZTJIDSGSA-N 2 1 357.885 3.079 20 0 FGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000858245826 732196156 /nfs/dbraw/zinc/19/61/56/732196156.db2.gz PACUUZYTKYYKGJ-ZDUSSCGKSA-N 2 1 354.520 3.312 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(NC(=O)OC(C)(C)C)s2)C1 ZINC000858245826 732196159 /nfs/dbraw/zinc/19/61/59/732196159.db2.gz PACUUZYTKYYKGJ-ZDUSSCGKSA-N 2 1 354.520 3.312 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491477 732220269 /nfs/dbraw/zinc/22/02/69/732220269.db2.gz IRQHZLOKVRSARK-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](O)C[C@H]1CCC[N@H+]1CC[Si](C)(C)CC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000859205134 732289834 /nfs/dbraw/zinc/28/98/34/732289834.db2.gz VQBMZFAYDNPYBE-LWYYNNOASA-N 2 1 370.654 3.165 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1CC[Si](C)(C)CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205134 732289835 /nfs/dbraw/zinc/28/98/35/732289835.db2.gz VQBMZFAYDNPYBE-LWYYNNOASA-N 2 1 370.654 3.165 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1CC[Si](C)(C)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000859205134 732289837 /nfs/dbraw/zinc/28/98/37/732289837.db2.gz VQBMZFAYDNPYBE-LWYYNNOASA-N 2 1 370.654 3.165 20 0 FGADMP CO[C@@H]1CC[N@@H+](CC[Si](C)(C)CC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000859324005 732310631 /nfs/dbraw/zinc/31/06/31/732310631.db2.gz GMAYZJNDKMIFNG-FGYAAKKASA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000859324005 732310634 /nfs/dbraw/zinc/31/06/34/732310634.db2.gz GMAYZJNDKMIFNG-FGYAAKKASA-N 2 1 370.654 3.408 20 0 FGADMP CO[C@@H]1CC[NH+](CC[Si](C)(C)CC[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000859324005 732310640 /nfs/dbraw/zinc/31/06/40/732310640.db2.gz GMAYZJNDKMIFNG-FGYAAKKASA-N 2 1 370.654 3.408 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866549363 733364683 /nfs/dbraw/zinc/36/46/83/733364683.db2.gz MBFLNOAIBGVGJB-AVEIZBFRSA-N 2 1 351.535 3.237 20 0 FGADMP CC(C)(C)S(=O)(=O)CCC[N@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156055 735596873 /nfs/dbraw/zinc/59/68/73/735596873.db2.gz DGIIWAFZVYYKQP-AEFFLSMTSA-N 2 1 358.592 3.209 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000873227565 735740191 /nfs/dbraw/zinc/74/01/91/735740191.db2.gz JEYHGUZKKQUTFT-SMDDNHRTSA-N 2 1 358.795 3.299 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000873227565 735740194 /nfs/dbraw/zinc/74/01/94/735740194.db2.gz JEYHGUZKKQUTFT-SMDDNHRTSA-N 2 1 358.795 3.299 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877040268 736178608 /nfs/dbraw/zinc/17/86/08/736178608.db2.gz BPTNSLXKDBJCOF-ZDUSSCGKSA-N 2 1 353.919 3.276 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107125 736772878 /nfs/dbraw/zinc/77/28/78/736772878.db2.gz LYWRBAWVUFXGHB-AQNXPRMDSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107125 736772880 /nfs/dbraw/zinc/77/28/80/736772880.db2.gz LYWRBAWVUFXGHB-AQNXPRMDSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107125 736772883 /nfs/dbraw/zinc/77/28/83/736772883.db2.gz LYWRBAWVUFXGHB-AQNXPRMDSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107125 736772884 /nfs/dbraw/zinc/77/28/84/736772884.db2.gz LYWRBAWVUFXGHB-AQNXPRMDSA-N 2 1 350.547 3.301 20 0 FGADMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000880473614 737178235 /nfs/dbraw/zinc/17/82/35/737178235.db2.gz KHAQWNLOLNROEA-MRXNPFEDSA-N 2 1 356.432 3.169 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000894190114 742250600 /nfs/dbraw/zinc/25/06/00/742250600.db2.gz JEIZSWOEGDWNMS-OOKSDGMUSA-N 2 1 351.535 3.096 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000894476616 742288425 /nfs/dbraw/zinc/28/84/25/742288425.db2.gz QWZIJIZDDPZEJI-UHFFFAOYSA-N 2 1 355.408 3.193 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(F)(F)F)nc1N(C)C ZINC000894476616 742288427 /nfs/dbraw/zinc/28/84/27/742288427.db2.gz QWZIJIZDDPZEJI-UHFFFAOYSA-N 2 1 355.408 3.193 20 0 FGADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c(F)c1 ZINC000897881738 742723088 /nfs/dbraw/zinc/72/30/88/742723088.db2.gz BXOSPXPXSROCGB-WBAXXEDZSA-N 2 1 350.453 3.444 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461444 743853172 /nfs/dbraw/zinc/85/31/72/743853172.db2.gz UHLBVQOIUZRICH-IEWDOMPSSA-N 2 1 350.453 3.254 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3Br)C2)C1 ZINC000903461908 743853212 /nfs/dbraw/zinc/85/32/12/743853212.db2.gz ZZDNKCXDHWZIIY-BJJXKVORSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461442 743853334 /nfs/dbraw/zinc/85/33/34/743853334.db2.gz UHLBVQOIUZRICH-BRIYLRKRSA-N 2 1 350.453 3.254 20 0 FGADMP c1ccc2sc([C@@H]3CCC[N@H+](C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)C3)nc2c1 ZINC000903732990 743879922 /nfs/dbraw/zinc/87/99/22/743879922.db2.gz ITOOILFZGOODFU-JXXFODFXSA-N 2 1 357.523 3.244 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)s1 ZINC000903758768 743881066 /nfs/dbraw/zinc/88/10/66/743881066.db2.gz MHXGEYVGMWNPNC-DVOMOZLQSA-N 2 1 371.344 3.416 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000903843892 743887760 /nfs/dbraw/zinc/88/77/60/743887760.db2.gz WIIIKCOOHVWUHS-XQQFMLRXSA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3ccccc3Br)o1)C2 ZINC000903843892 743887766 /nfs/dbraw/zinc/88/77/66/743887766.db2.gz WIIIKCOOHVWUHS-XQQFMLRXSA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2OCc2ccccn2)C1 ZINC000906516305 744138575 /nfs/dbraw/zinc/13/85/75/744138575.db2.gz BVBHBLXRPZFIQC-KOMQPUFPSA-N 2 1 362.271 3.002 20 0 FGADMP CCCC[C@@H](CC)CNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000919719311 758466160 /nfs/dbraw/zinc/46/61/60/758466160.db2.gz YUYRPIXVVMMWGA-MRXNPFEDSA-N 2 1 363.575 3.336 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(C(F)(F)F)c1)C2 ZINC000922386371 758909519 /nfs/dbraw/zinc/90/95/19/758909519.db2.gz GZXQAZRZOIODQC-BDXSIMOUSA-N 2 1 356.432 3.275 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387781 758910545 /nfs/dbraw/zinc/91/05/45/758910545.db2.gz AZHWGYVNEZNSNR-RRCSTGOVSA-N 2 1 362.461 3.336 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@H]1C(C)C ZINC000922392796 758912575 /nfs/dbraw/zinc/91/25/75/758912575.db2.gz HFZITNCXAWMMDX-YCEFEEMOSA-N 2 1 352.906 3.005 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCOCC3)s1 ZINC000923033150 759053727 /nfs/dbraw/zinc/05/37/27/759053727.db2.gz COWDTHXSHWUODF-HOTGVXAUSA-N 2 1 367.559 3.047 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923317247 759099297 /nfs/dbraw/zinc/09/92/97/759099297.db2.gz CSQFVZBLTMVZMP-HOTGVXAUSA-N 2 1 366.937 3.016 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391400 759109876 /nfs/dbraw/zinc/10/98/76/759109876.db2.gz FEMXULDOYJNZIR-RNJTYBCJSA-N 2 1 373.324 3.388 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923483963 759129358 /nfs/dbraw/zinc/12/93/58/759129358.db2.gz UOSRDKXFDMGCSL-GFCCVEGCSA-N 2 1 350.260 3.275 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000923486824 759129745 /nfs/dbraw/zinc/12/97/45/759129745.db2.gz KFOKQFUXUGHHME-OXJNMPFZSA-N 2 1 357.523 3.015 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1(Br)CC1 ZINC000926126898 759658468 /nfs/dbraw/zinc/65/84/68/759658468.db2.gz SOJTXJFLSJGVKA-RHSMWYFYSA-N 2 1 367.331 3.049 20 0 FGADMP C[S@@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000926346294 759720979 /nfs/dbraw/zinc/72/09/79/759720979.db2.gz BLGMATUECSXVCV-XHYUGHRXSA-N 2 1 360.567 3.463 20 0 FGADMP C[S@@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000926346294 759720994 /nfs/dbraw/zinc/72/09/94/759720994.db2.gz BLGMATUECSXVCV-XHYUGHRXSA-N 2 1 360.567 3.463 20 0 FGADMP Cc1c(Br)cccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000926910426 759844764 /nfs/dbraw/zinc/84/47/64/759844764.db2.gz HOHUUABPDJKFTI-QGZVFWFLSA-N 2 1 367.331 3.143 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433560 760860958 /nfs/dbraw/zinc/86/09/58/760860958.db2.gz DGTSJQOILKDUSV-MELADBBJSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433560 760860965 /nfs/dbraw/zinc/86/09/65/760860965.db2.gz DGTSJQOILKDUSV-MELADBBJSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433560 760860978 /nfs/dbraw/zinc/86/09/78/760860978.db2.gz DGTSJQOILKDUSV-MELADBBJSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccc(Cl)cc1Cl ZINC000931433560 760860991 /nfs/dbraw/zinc/86/09/91/760860991.db2.gz DGTSJQOILKDUSV-MELADBBJSA-N 2 1 370.324 3.054 20 0 FGADMP Cc1[nH]c(C2CC[NH+](C[C@@](C)(O)C(F)(F)C(F)(F)F)CC2)[nH+]c1C ZINC000931749886 760953245 /nfs/dbraw/zinc/95/32/45/760953245.db2.gz WLUVHAGUFHTBGQ-CYBMUJFWSA-N 2 1 355.351 3.155 20 0 FGADMP C[N@H+]1C[C@@H]2CN(C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@]2(C)C1 ZINC000933733633 761464687 /nfs/dbraw/zinc/46/46/87/761464687.db2.gz GKNFRHGXVVRBSP-IDCNUPLLSA-N 2 1 354.416 3.052 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@]2(C)C1 ZINC000933733633 761464691 /nfs/dbraw/zinc/46/46/91/761464691.db2.gz GKNFRHGXVVRBSP-IDCNUPLLSA-N 2 1 354.416 3.052 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@]2(C)C1 ZINC000933733633 761464697 /nfs/dbraw/zinc/46/46/97/761464697.db2.gz GKNFRHGXVVRBSP-IDCNUPLLSA-N 2 1 354.416 3.052 20 0 FGADMP Cc1cc(C[NH+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC000960640518 762736575 /nfs/dbraw/zinc/73/65/75/762736575.db2.gz HQMAHTSOUOLMRV-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC000960640518 762736582 /nfs/dbraw/zinc/73/65/82/762736582.db2.gz HQMAHTSOUOLMRV-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP Cc1cc(C[N@H+](C)C[C@@H]2CCCN2C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC000960640518 762736587 /nfs/dbraw/zinc/73/65/87/762736587.db2.gz HQMAHTSOUOLMRV-AYOQOUSVSA-N 2 1 363.571 3.128 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccccc2Cl)CC[N@@H+]1C ZINC000960639389 762736825 /nfs/dbraw/zinc/73/68/25/762736825.db2.gz AZBIEOXZEXHNNM-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)Cc2ccccc2Cl)CC[N@H+]1C ZINC000960639389 762736827 /nfs/dbraw/zinc/73/68/27/762736827.db2.gz AZBIEOXZEXHNNM-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000960639389 762736829 /nfs/dbraw/zinc/73/68/29/762736829.db2.gz AZBIEOXZEXHNNM-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[N@@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000960639389 762736831 /nfs/dbraw/zinc/73/68/31/762736831.db2.gz AZBIEOXZEXHNNM-KBAYOESNSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001005406564 765468867 /nfs/dbraw/zinc/46/88/67/765468867.db2.gz FBSNVUCWOOPQLS-DNVCBOLYSA-N 2 1 363.571 3.128 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001023993931 766047470 /nfs/dbraw/zinc/04/74/70/766047470.db2.gz UJXRRHYUVOZWHA-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3Cc2ccsc2)CC[N@H+]1C ZINC001049483489 766786296 /nfs/dbraw/zinc/78/62/96/766786296.db2.gz XRYXAXXHBGXZRD-RDGPPVDQSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483489 766786307 /nfs/dbraw/zinc/78/63/07/766786307.db2.gz XRYXAXXHBGXZRD-RDGPPVDQSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]3[C@@H]2CC[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483489 766786315 /nfs/dbraw/zinc/78/63/15/766786315.db2.gz XRYXAXXHBGXZRD-RDGPPVDQSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC=C(Cl)Cl)CC2)CC[N@@H+]1C ZINC001052395077 766899682 /nfs/dbraw/zinc/89/96/82/766899682.db2.gz KFGWDJTWSHTTMN-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CC=C(Cl)Cl)CC2)CC[N@H+]1C ZINC001052395077 766899693 /nfs/dbraw/zinc/89/96/93/766899693.db2.gz KFGWDJTWSHTTMN-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](CC=C(Cl)Cl)CC2)CC[NH+]1C ZINC001052395077 766899708 /nfs/dbraw/zinc/89/97/08/766899708.db2.gz KFGWDJTWSHTTMN-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](CC=C(Cl)Cl)CC2)CC[NH+]1C ZINC001052395077 766899722 /nfs/dbraw/zinc/89/97/22/766899722.db2.gz KFGWDJTWSHTTMN-SOUVJXGZSA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000248760198 257369689 /nfs/dbraw/zinc/36/96/89/257369689.db2.gz DJRUDMLDWULRNM-AGHHOFFYSA-N 2 1 351.494 3.030 20 0 FGADMP COc1ccc2cc(C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)ccc2c1 ZINC000567897470 505570805 /nfs/dbraw/zinc/57/08/05/505570805.db2.gz QWSPQVCEZURNEJ-GOTSBHOMSA-N 2 1 364.489 3.211 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000570839871 505592467 /nfs/dbraw/zinc/59/24/67/505592467.db2.gz PEQUILKREUUNQL-MJGOQNOKSA-N 2 1 372.538 3.089 20 0 FGADMP CCCCNC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000567995589 505592819 /nfs/dbraw/zinc/59/28/19/505592819.db2.gz PGCYCFLATFVUCO-QGZVFWFLSA-N 2 1 351.560 3.117 20 0 FGADMP CCCCNC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000567995589 505592821 /nfs/dbraw/zinc/59/28/21/505592821.db2.gz PGCYCFLATFVUCO-QGZVFWFLSA-N 2 1 351.560 3.117 20 0 FGADMP CCCCNC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000567995589 505592823 /nfs/dbraw/zinc/59/28/23/505592823.db2.gz PGCYCFLATFVUCO-QGZVFWFLSA-N 2 1 351.560 3.117 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000568009122 505595542 /nfs/dbraw/zinc/59/55/42/505595542.db2.gz WCISHFPMFLLOTA-JOCHJYFZSA-N 2 1 372.557 3.071 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3cccc(Cl)c3Cl)CC2)CC1 ZINC000570858522 505596630 /nfs/dbraw/zinc/59/66/30/505596630.db2.gz YLHLNVBXAUGVBB-UHFFFAOYSA-N 2 1 356.341 3.453 20 0 FGADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)N2CCOCC2)cc1 ZINC000579699583 505604308 /nfs/dbraw/zinc/60/43/08/505604308.db2.gz VWLDJRUMHCSIJZ-VSKRKVRLSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H]([NH2+]CCNC(=O)CC1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882960 505616246 /nfs/dbraw/zinc/61/62/46/505616246.db2.gz OSQUGVOWUYMOMD-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)CC12CCOCC2 ZINC000579833528 505629026 /nfs/dbraw/zinc/62/90/26/505629026.db2.gz FWPWHTZCQOQGNT-MRXNPFEDSA-N 2 1 363.933 3.128 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000576965679 505635420 /nfs/dbraw/zinc/63/54/20/505635420.db2.gz SNRJFWRPEHLQNQ-KOUHRCEDSA-N 2 1 372.557 3.056 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3c(C)cc(C)cc3C)CC2)CC1 ZINC000568186785 505638220 /nfs/dbraw/zinc/63/82/20/505638220.db2.gz LMSVJUBKJOBWOJ-UHFFFAOYSA-N 2 1 371.569 3.424 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3c4ccccc4C[C@@H]3C)CC2)CC1 ZINC000568199678 505641963 /nfs/dbraw/zinc/64/19/63/505641963.db2.gz FLOWAPBGVYRLMA-JTSKRJEESA-N 2 1 369.553 3.232 20 0 FGADMP CC1(C)CCc2ccccc2[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000571196828 505677095 /nfs/dbraw/zinc/67/70/95/505677095.db2.gz WTVZNCUOJXLVEF-SFHVURJKSA-N 2 1 353.514 3.465 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126687 493837959 /nfs/dbraw/zinc/83/79/59/493837959.db2.gz DSPSFIVPPCPUPZ-SFTDATJTSA-N 2 1 351.494 3.022 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126687 493837962 /nfs/dbraw/zinc/83/79/62/493837962.db2.gz DSPSFIVPPCPUPZ-SFTDATJTSA-N 2 1 351.494 3.022 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330880 493866847 /nfs/dbraw/zinc/86/68/47/493866847.db2.gz JGIIUSLXFKQWOH-KRWDZBQOSA-N 2 1 350.482 3.014 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000068887158 493889329 /nfs/dbraw/zinc/88/93/29/493889329.db2.gz LPSSWWKOFRGIMM-ROUUACIJSA-N 2 1 364.578 3.061 20 0 FGADMP COc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCCC2)cc1 ZINC000060344326 493924528 /nfs/dbraw/zinc/92/45/28/493924528.db2.gz GKCHTDNRQXDCQX-HXUWFJFHSA-N 2 1 358.530 3.478 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000069160319 493929317 /nfs/dbraw/zinc/92/93/17/493929317.db2.gz RXASDDXGNHGZRL-FQEVSTJZSA-N 2 1 369.509 3.491 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[NH+]3C2)CC1 ZINC000081654510 493938800 /nfs/dbraw/zinc/93/88/00/493938800.db2.gz DDFLRHGCYPQEOH-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081654510 493938803 /nfs/dbraw/zinc/93/88/03/493938803.db2.gz DDFLRHGCYPQEOH-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000081654510 493938804 /nfs/dbraw/zinc/93/88/04/493938804.db2.gz DDFLRHGCYPQEOH-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000069295894 493951767 /nfs/dbraw/zinc/95/17/67/493951767.db2.gz METSPRBWRLLYNA-ROUUACIJSA-N 2 1 360.546 3.147 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000081795607 493955484 /nfs/dbraw/zinc/95/54/84/493955484.db2.gz PAKVQJWDQVWNTI-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000081795607 493955490 /nfs/dbraw/zinc/95/54/90/493955490.db2.gz PAKVQJWDQVWNTI-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000081795607 493955493 /nfs/dbraw/zinc/95/54/93/493955493.db2.gz PAKVQJWDQVWNTI-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000081795607 493955496 /nfs/dbraw/zinc/95/54/96/493955496.db2.gz PAKVQJWDQVWNTI-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1 ZINC000577252199 505694288 /nfs/dbraw/zinc/69/42/88/505694288.db2.gz VWYWNASSGBSDGU-LJQANCHMSA-N 2 1 360.546 3.115 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000063758746 494084232 /nfs/dbraw/zinc/08/42/32/494084232.db2.gz RGQPCUFTIVTNAD-SJBKTWHCSA-N 2 1 371.569 3.383 20 0 FGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000063917402 494098082 /nfs/dbraw/zinc/09/80/82/494098082.db2.gz GZAQXWNNOXTWCZ-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)ccc2OCc2ccccn2)C1 ZINC000063917402 494098085 /nfs/dbraw/zinc/09/80/85/494098085.db2.gz GZAQXWNNOXTWCZ-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000085386984 494118676 /nfs/dbraw/zinc/11/86/76/494118676.db2.gz FPBOYYHLSPHNNI-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000086366829 494150284 /nfs/dbraw/zinc/15/02/84/494150284.db2.gz PUEGTPKHYIBVCK-DOTOQJQBSA-N 2 1 367.497 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000086366829 494150291 /nfs/dbraw/zinc/15/02/91/494150291.db2.gz PUEGTPKHYIBVCK-DOTOQJQBSA-N 2 1 367.497 3.025 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC000086390542 494151209 /nfs/dbraw/zinc/15/12/09/494151209.db2.gz NUOSDMBVZMBFHA-MRXNPFEDSA-N 2 1 357.502 3.271 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(C)C ZINC000086390542 494151213 /nfs/dbraw/zinc/15/12/13/494151213.db2.gz NUOSDMBVZMBFHA-MRXNPFEDSA-N 2 1 357.502 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000086393636 494151802 /nfs/dbraw/zinc/15/18/02/494151802.db2.gz GIGWGMXOIXSEND-LSDHHAIUSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000086393636 494151807 /nfs/dbraw/zinc/15/18/07/494151807.db2.gz GIGWGMXOIXSEND-LSDHHAIUSA-N 2 1 355.486 3.024 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000088174487 494211095 /nfs/dbraw/zinc/21/10/95/494211095.db2.gz XNUMRYRCHSGLIK-AWEZNQCLSA-N 2 1 358.267 3.111 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000065522525 494209327 /nfs/dbraw/zinc/20/93/27/494209327.db2.gz SZFWDQPLZDDHOY-RXVVDRJESA-N 2 1 372.557 3.434 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000088174486 494211376 /nfs/dbraw/zinc/21/13/76/494211376.db2.gz XNUMRYRCHSGLIK-CQSZACIVSA-N 2 1 358.267 3.111 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042910768 494251798 /nfs/dbraw/zinc/25/17/98/494251798.db2.gz QPSSEISTRQERLC-MRXNPFEDSA-N 2 1 352.567 3.249 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000072823371 494258368 /nfs/dbraw/zinc/25/83/68/494258368.db2.gz HLXJLKWTOOXRQD-IBGZPJMESA-N 2 1 356.514 3.163 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000072823371 494258373 /nfs/dbraw/zinc/25/83/73/494258373.db2.gz HLXJLKWTOOXRQD-IBGZPJMESA-N 2 1 356.514 3.163 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860069 494268466 /nfs/dbraw/zinc/26/84/66/494268466.db2.gz WDNLSUNIGTVVHE-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860069 494268468 /nfs/dbraw/zinc/26/84/68/494268468.db2.gz WDNLSUNIGTVVHE-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860069 494268472 /nfs/dbraw/zinc/26/84/72/494268472.db2.gz WDNLSUNIGTVVHE-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)c1ccccc1 ZINC000078402371 494292472 /nfs/dbraw/zinc/29/24/72/494292472.db2.gz QZOXDRNAORCICP-SFTDATJTSA-N 2 1 353.510 3.407 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000072965410 494293186 /nfs/dbraw/zinc/29/31/86/494293186.db2.gz QDHQXYRNZPYQMW-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000072965410 494293191 /nfs/dbraw/zinc/29/31/91/494293191.db2.gz QDHQXYRNZPYQMW-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000072965410 494293194 /nfs/dbraw/zinc/29/31/94/494293194.db2.gz QDHQXYRNZPYQMW-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)cc1 ZINC000072965410 494293199 /nfs/dbraw/zinc/29/31/99/494293199.db2.gz QDHQXYRNZPYQMW-PCCBWWKXSA-N 2 1 360.542 3.321 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073012991 494305391 /nfs/dbraw/zinc/30/53/91/494305391.db2.gz YRILAERJAXJRAA-YOEHRIQHSA-N 2 1 371.447 3.156 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073013000 494305491 /nfs/dbraw/zinc/30/54/91/494305491.db2.gz YRILAERJAXJRAA-RHSMWYFYSA-N 2 1 371.447 3.156 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000073895178 494444126 /nfs/dbraw/zinc/44/41/26/494444126.db2.gz AKBYVBPJRFKMPY-GOSISDBHSA-N 2 1 354.922 3.022 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960829 494445735 /nfs/dbraw/zinc/44/57/35/494445735.db2.gz ZZMHPFXPXXJWCY-LJQANCHMSA-N 2 1 359.558 3.477 20 0 FGADMP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079394213 494445752 /nfs/dbraw/zinc/44/57/52/494445752.db2.gz HKYYRDQFOVGSQG-FQEVSTJZSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000079394213 494445757 /nfs/dbraw/zinc/44/57/57/494445757.db2.gz HKYYRDQFOVGSQG-FQEVSTJZSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[NH+]1CCCCCC1 ZINC000074582253 494562434 /nfs/dbraw/zinc/56/24/34/494562434.db2.gz ZCBMUNVXMGGTKJ-ROUUACIJSA-N 2 1 359.514 3.283 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000056786998 494563042 /nfs/dbraw/zinc/56/30/42/494563042.db2.gz IDRVWHOXQKMODR-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000056786998 494563045 /nfs/dbraw/zinc/56/30/45/494563045.db2.gz IDRVWHOXQKMODR-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000056786998 494563048 /nfs/dbraw/zinc/56/30/48/494563048.db2.gz IDRVWHOXQKMODR-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000080055565 494577724 /nfs/dbraw/zinc/57/77/24/494577724.db2.gz SHLIEIQVHQUJBG-TZIWHRDSSA-N 2 1 374.573 3.458 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000074792993 494602298 /nfs/dbraw/zinc/60/22/98/494602298.db2.gz UXKAZNFISNFRJA-SEJPIABJSA-N 2 1 372.557 3.084 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080153721 494616343 /nfs/dbraw/zinc/61/63/43/494616343.db2.gz OHNGXOFVUJLHTD-NQIIRXRSSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000075007940 494672129 /nfs/dbraw/zinc/67/21/29/494672129.db2.gz ZUWQXCQXOIIWJP-INIZCTEOSA-N 2 1 373.501 3.015 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C)c2)CC1 ZINC000075007409 494672660 /nfs/dbraw/zinc/67/26/60/494672660.db2.gz KMLUSMVWLPSCMT-SFHVURJKSA-N 2 1 361.530 3.145 20 0 FGADMP COc1sc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1Br ZINC000121287509 494683278 /nfs/dbraw/zinc/68/32/78/494683278.db2.gz GGHDZMYRXOQLQU-SNVBAGLBSA-N 2 1 358.305 3.450 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cnn(C(C)(C)C)c3)CC2)nc(C)[nH+]1 ZINC000092645107 494692644 /nfs/dbraw/zinc/69/26/44/494692644.db2.gz PFZRFRVWASPRQR-UHFFFAOYSA-N 2 1 356.518 3.146 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cnn(C(C)(C)C)c3)CC2)nc(C)[nH+]1 ZINC000092645107 494692651 /nfs/dbraw/zinc/69/26/51/494692651.db2.gz PFZRFRVWASPRQR-UHFFFAOYSA-N 2 1 356.518 3.146 20 0 FGADMP CN(CC[N@@H+](C)Cc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000126419442 494744811 /nfs/dbraw/zinc/74/48/11/494744811.db2.gz VOQSVEBNFPPOIO-UHFFFAOYSA-N 2 1 372.326 3.046 20 0 FGADMP CCCCCNC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821341 494763276 /nfs/dbraw/zinc/76/32/76/494763276.db2.gz ZBGREGSGYIGCDO-GOSISDBHSA-N 2 1 360.546 3.315 20 0 FGADMP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821320 494763725 /nfs/dbraw/zinc/76/37/25/494763725.db2.gz MHVPGSGRJRPMAO-OALUTQOASA-N 2 1 372.557 3.124 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000092043328 494766041 /nfs/dbraw/zinc/76/60/41/494766041.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043328 494766047 /nfs/dbraw/zinc/76/60/47/494766047.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043328 494766053 /nfs/dbraw/zinc/76/60/53/494766053.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000092043328 494766059 /nfs/dbraw/zinc/76/60/59/494766059.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 2 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)CC1 ZINC000092043328 494766066 /nfs/dbraw/zinc/76/60/66/494766066.db2.gz XUOZUZIRJDIRSW-IRLDBZIGSA-N 2 1 370.585 3.135 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000047778306 494775400 /nfs/dbraw/zinc/77/54/00/494775400.db2.gz SGGMKOZWMMOZGJ-IBGZPJMESA-N 2 1 372.513 3.222 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000047778306 494775407 /nfs/dbraw/zinc/77/54/07/494775407.db2.gz SGGMKOZWMMOZGJ-IBGZPJMESA-N 2 1 372.513 3.222 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3coc4ccccc34)CC2)CC1 ZINC000093141549 494833635 /nfs/dbraw/zinc/83/36/35/494833635.db2.gz FUVQOJYSBREGKZ-UHFFFAOYSA-N 2 1 369.509 3.199 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000109786185 494917971 /nfs/dbraw/zinc/91/79/71/494917971.db2.gz YHGNZMYMQMEOIV-QGZVFWFLSA-N 2 1 374.447 3.251 20 0 FGADMP CN(c1ccccc1C[NH2+]Cc1nccn1C(F)F)C1CC[NH+](C)CC1 ZINC000133374805 495006479 /nfs/dbraw/zinc/00/64/79/495006479.db2.gz IESVRAKDIVOUAV-UHFFFAOYSA-N 2 1 363.456 3.098 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000096574120 495012962 /nfs/dbraw/zinc/01/29/62/495012962.db2.gz ADFDWCGPLZNJGC-UHFFFAOYSA-N 2 1 365.521 3.486 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)[C@H](C)C1 ZINC000122704906 495019170 /nfs/dbraw/zinc/01/91/70/495019170.db2.gz VITAXXJTAYUQAW-UXPWSPDFSA-N 2 1 365.949 3.033 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000111231467 495051703 /nfs/dbraw/zinc/05/17/03/495051703.db2.gz HYWUROSGQINAMC-NRFANRHFSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc3ccccc32)CC1 ZINC000111231467 495051707 /nfs/dbraw/zinc/05/17/07/495051707.db2.gz HYWUROSGQINAMC-NRFANRHFSA-N 2 1 367.537 3.321 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548387 505758990 /nfs/dbraw/zinc/75/89/90/505758990.db2.gz SLNHWFCTMJYFJS-OALUTQOASA-N 2 1 355.482 3.101 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000571548387 505758995 /nfs/dbraw/zinc/75/89/95/505758995.db2.gz SLNHWFCTMJYFJS-OALUTQOASA-N 2 1 355.482 3.101 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133934300 495082908 /nfs/dbraw/zinc/08/29/08/495082908.db2.gz OZOFJFGNNHEYPR-GOSISDBHSA-N 3 1 369.557 3.148 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128367343 495085796 /nfs/dbraw/zinc/08/57/96/495085796.db2.gz MHITVUGLDPKZFK-WCIQWLHISA-N 2 1 366.594 3.116 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128367343 495085798 /nfs/dbraw/zinc/08/57/98/495085798.db2.gz MHITVUGLDPKZFK-WCIQWLHISA-N 2 1 366.594 3.116 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000128367343 495085799 /nfs/dbraw/zinc/08/57/99/495085799.db2.gz MHITVUGLDPKZFK-WCIQWLHISA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000111646170 495091662 /nfs/dbraw/zinc/09/16/62/495091662.db2.gz PGWPYLMBTXVVOB-IBGZPJMESA-N 2 1 357.542 3.206 20 0 FGADMP C[C@@H](C(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000111646170 495091666 /nfs/dbraw/zinc/09/16/66/495091666.db2.gz PGWPYLMBTXVVOB-IBGZPJMESA-N 2 1 357.542 3.206 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128458943 495100314 /nfs/dbraw/zinc/10/03/14/495100314.db2.gz JORNNXKTCBZEIC-INIZCTEOSA-N 2 1 373.570 3.192 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000111805312 495113130 /nfs/dbraw/zinc/11/31/30/495113130.db2.gz BKEMYVHGVSORRL-IBGZPJMESA-N 2 1 352.567 3.206 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604943 505763051 /nfs/dbraw/zinc/76/30/51/505763051.db2.gz KQWRUEBZQGVZKS-UXHICEINSA-N 2 1 354.498 3.013 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000119341823 495145759 /nfs/dbraw/zinc/14/57/59/495145759.db2.gz QSIMKBUJHIOTBS-PXNSSMCTSA-N 2 1 372.557 3.069 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000123572780 495154023 /nfs/dbraw/zinc/15/40/23/495154023.db2.gz ODBDHGNCLRFJHL-UHFFFAOYSA-N 2 1 357.951 3.072 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000128836686 495156788 /nfs/dbraw/zinc/15/67/88/495156788.db2.gz WUDBQVMMYLFVRZ-LJQANCHMSA-N 2 1 373.541 3.352 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc(OC)c1O ZINC000119503862 495178687 /nfs/dbraw/zinc/17/86/87/495178687.db2.gz LLQCPCLEJAAFBS-UHFFFAOYSA-N 2 1 370.493 3.206 20 0 FGADMP CCOc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123749209 495180241 /nfs/dbraw/zinc/18/02/41/495180241.db2.gz ZELBZDMANBQXNA-IAGOWNOFSA-N 2 1 370.497 3.101 20 0 FGADMP CCOc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123749209 495180247 /nfs/dbraw/zinc/18/02/47/495180247.db2.gz ZELBZDMANBQXNA-IAGOWNOFSA-N 2 1 370.497 3.101 20 0 FGADMP c1ccc(-c2noc(CC[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134936232 495227120 /nfs/dbraw/zinc/22/71/20/495227120.db2.gz ANROMQICKJPQRM-IEBWSBKVSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[N@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134936232 495227122 /nfs/dbraw/zinc/22/71/22/495227122.db2.gz ANROMQICKJPQRM-IEBWSBKVSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134936232 495227123 /nfs/dbraw/zinc/22/71/23/495227123.db2.gz ANROMQICKJPQRM-IEBWSBKVSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[NH+]3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134936232 495227125 /nfs/dbraw/zinc/22/71/25/495227125.db2.gz ANROMQICKJPQRM-IEBWSBKVSA-N 2 1 352.482 3.228 20 0 FGADMP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CCC1 ZINC000568746990 505768676 /nfs/dbraw/zinc/76/86/76/505768676.db2.gz YDODCDOTNXADGO-KRWDZBQOSA-N 2 1 370.324 3.201 20 0 FGADMP c1ccc2c(c1)cccc2OCCC[N@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129404012 495240942 /nfs/dbraw/zinc/24/09/42/495240942.db2.gz NQKHURHJBLJAAE-LJQANCHMSA-N 2 1 354.494 3.263 20 0 FGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208246 495283379 /nfs/dbraw/zinc/28/33/79/495283379.db2.gz KUQKGXIIQSVYKU-JOCHJYFZSA-N 2 1 365.521 3.412 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000124473858 495293372 /nfs/dbraw/zinc/29/33/72/495293372.db2.gz ODKUYKVQZQRYBT-HXUWFJFHSA-N 2 1 357.542 3.296 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+]C1CCN(C(N)=O)CC1)C1CCCCC1 ZINC000129863082 495306421 /nfs/dbraw/zinc/30/64/21/495306421.db2.gz KICUTUMQYVNFLI-UHFFFAOYSA-N 2 1 358.530 3.084 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000113578691 495316658 /nfs/dbraw/zinc/31/66/58/495316658.db2.gz DEWUDSXLICKXMV-FUHWJXTLSA-N 2 1 372.513 3.311 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000105112965 495337670 /nfs/dbraw/zinc/33/76/70/495337670.db2.gz TZELNWWDHFQUAI-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP CC1(C)CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000135915421 495342813 /nfs/dbraw/zinc/34/28/13/495342813.db2.gz NKDSNLHYQSXZLB-FQEVSTJZSA-N 2 1 373.541 3.406 20 0 FGADMP C[C@H](CC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574450898 505776118 /nfs/dbraw/zinc/77/61/18/505776118.db2.gz XLIJFFJEYBOTLA-NPDDRXJXSA-N 2 1 371.569 3.429 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000114475674 495380180 /nfs/dbraw/zinc/38/01/80/495380180.db2.gz KVRLILAYRXZOCU-UHFFFAOYSA-N 2 1 371.978 3.462 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000114475674 495380182 /nfs/dbraw/zinc/38/01/82/495380182.db2.gz KVRLILAYRXZOCU-UHFFFAOYSA-N 2 1 371.978 3.462 20 0 FGADMP CCC[N@H+](CCCc1cnn(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477195 495380912 /nfs/dbraw/zinc/38/09/12/495380912.db2.gz YAPGEOGUHUVQOH-UHFFFAOYSA-N 2 1 370.545 3.141 20 0 FGADMP CCC[N@@H+](CCCc1cnn(C)c1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477195 495380914 /nfs/dbraw/zinc/38/09/14/495380914.db2.gz YAPGEOGUHUVQOH-UHFFFAOYSA-N 2 1 370.545 3.141 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000125086955 495388408 /nfs/dbraw/zinc/38/84/08/495388408.db2.gz VEQDQYVEGKQTLW-OALUTQOASA-N 3 1 362.562 3.183 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000137482705 495442230 /nfs/dbraw/zinc/44/22/30/495442230.db2.gz DYNRKIAFEIYFLX-LAUBAEHRSA-N 2 1 351.494 3.141 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807360 495448229 /nfs/dbraw/zinc/44/82/29/495448229.db2.gz UUFAIBCCHJKLLU-UIFIKXQLSA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807360 495448231 /nfs/dbraw/zinc/44/82/31/495448231.db2.gz UUFAIBCCHJKLLU-UIFIKXQLSA-N 2 1 357.542 3.244 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)C1 ZINC000120798315 495459633 /nfs/dbraw/zinc/45/96/33/495459633.db2.gz GFGYVOHUDXHGOV-KBPBESRZSA-N 2 1 368.319 3.098 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)[NH+]2CCCC2)o1 ZINC000106554536 495468926 /nfs/dbraw/zinc/46/89/26/495468926.db2.gz MWSOCOQUWYZZBB-PKOBYXMFSA-N 2 1 374.529 3.041 20 0 FGADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000130985700 495475405 /nfs/dbraw/zinc/47/54/05/495475405.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000130985700 495475408 /nfs/dbraw/zinc/47/54/08/495475408.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000130985700 495475411 /nfs/dbraw/zinc/47/54/11/495475411.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000130985700 495475415 /nfs/dbraw/zinc/47/54/15/495475415.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000130985700 495475420 /nfs/dbraw/zinc/47/54/20/495475420.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000130985700 495475422 /nfs/dbraw/zinc/47/54/22/495475422.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CC[C@H](C)[C@H]1C[NH+](Cc2ccc(C)nc2)CCN1CC[C@@H]1CCC[N@H+]1C ZINC000130985700 495475427 /nfs/dbraw/zinc/47/54/27/495475427.db2.gz VAXDCPADSXNUEV-YUXAGFNASA-N 2 1 358.574 3.407 20 0 FGADMP CS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000125671405 495479576 /nfs/dbraw/zinc/47/95/76/495479576.db2.gz BXNDUJFAPNJNCX-UHFFFAOYSA-N 2 1 364.555 3.118 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)c1 ZINC000141172169 495503245 /nfs/dbraw/zinc/50/32/45/495503245.db2.gz QOCNHXFTCWHAKQ-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000141172169 495503246 /nfs/dbraw/zinc/50/32/46/495503246.db2.gz QOCNHXFTCWHAKQ-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000141172169 495503250 /nfs/dbraw/zinc/50/32/50/495503250.db2.gz QOCNHXFTCWHAKQ-ROUUACIJSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)C1 ZINC000158604331 495547865 /nfs/dbraw/zinc/54/78/65/495547865.db2.gz CAQPPVHHBFWLJJ-HDICACEKSA-N 2 1 361.530 3.232 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000158665178 495562151 /nfs/dbraw/zinc/56/21/51/495562151.db2.gz VEHGNAMLMJJMAP-WOJBJXKFSA-N 2 1 357.542 3.230 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000158665178 495562156 /nfs/dbraw/zinc/56/21/56/495562156.db2.gz VEHGNAMLMJJMAP-WOJBJXKFSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000158665178 495562159 /nfs/dbraw/zinc/56/21/59/495562159.db2.gz VEHGNAMLMJJMAP-WOJBJXKFSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@H]21 ZINC000158665178 495562165 /nfs/dbraw/zinc/56/21/65/495562165.db2.gz VEHGNAMLMJJMAP-WOJBJXKFSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158836046 495597528 /nfs/dbraw/zinc/59/75/28/495597528.db2.gz QKWDTPYFUFVDHF-GOSISDBHSA-N 2 1 358.592 3.176 20 0 FGADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158836046 495597535 /nfs/dbraw/zinc/59/75/35/495597535.db2.gz QKWDTPYFUFVDHF-GOSISDBHSA-N 2 1 358.592 3.176 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000179471829 495605187 /nfs/dbraw/zinc/60/51/87/495605187.db2.gz QEMDMRRLAQIRSC-NRFANRHFSA-N 2 1 369.553 3.374 20 0 FGADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000574521441 505792123 /nfs/dbraw/zinc/79/21/23/505792123.db2.gz VKUQAOCANQLCHF-UHFFFAOYSA-N 2 1 370.541 3.327 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150769828 495628968 /nfs/dbraw/zinc/62/89/68/495628968.db2.gz RRHSYSAYOPYLRA-LEWJYISDSA-N 2 1 355.526 3.128 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785952 495634259 /nfs/dbraw/zinc/63/42/59/495634259.db2.gz OFYZGTNWVXCBMV-ZBFHGGJFSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150785952 495634269 /nfs/dbraw/zinc/63/42/69/495634269.db2.gz OFYZGTNWVXCBMV-ZBFHGGJFSA-N 2 1 373.324 3.151 20 0 FGADMP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000580603950 505794618 /nfs/dbraw/zinc/79/46/18/505794618.db2.gz CUGNSMMTAVLIEV-UHFFFAOYSA-N 2 1 373.372 3.177 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000159069789 495649531 /nfs/dbraw/zinc/64/95/31/495649531.db2.gz YKNDOUXQGKMZFN-LJQANCHMSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665003 495669347 /nfs/dbraw/zinc/66/93/47/495669347.db2.gz GYOBFZIRXMDZLQ-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665003 495669351 /nfs/dbraw/zinc/66/93/51/495669351.db2.gz GYOBFZIRXMDZLQ-UONOGXRCSA-N 2 1 351.441 3.146 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000159167946 495673761 /nfs/dbraw/zinc/67/37/61/495673761.db2.gz INPMOQRTFKZCEW-WMZOPIPTSA-N 2 1 366.575 3.113 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000179654461 495678655 /nfs/dbraw/zinc/67/86/55/495678655.db2.gz LUJCDYWDAPXARD-HDICACEKSA-N 2 1 368.525 3.398 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000179654461 495678663 /nfs/dbraw/zinc/67/86/63/495678663.db2.gz LUJCDYWDAPXARD-HDICACEKSA-N 2 1 368.525 3.398 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000179654461 495678670 /nfs/dbraw/zinc/67/86/70/495678670.db2.gz LUJCDYWDAPXARD-HDICACEKSA-N 2 1 368.525 3.398 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000179654461 495678675 /nfs/dbraw/zinc/67/86/75/495678675.db2.gz LUJCDYWDAPXARD-HDICACEKSA-N 2 1 368.525 3.398 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000171049415 495702286 /nfs/dbraw/zinc/70/22/86/495702286.db2.gz MUJAIFLBBADEEI-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740558 495705219 /nfs/dbraw/zinc/70/52/19/495705219.db2.gz BIXNIYISMSDGQV-WBVHZDCISA-N 2 1 363.933 3.199 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740558 495705225 /nfs/dbraw/zinc/70/52/25/495705225.db2.gz BIXNIYISMSDGQV-WBVHZDCISA-N 2 1 363.933 3.199 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146748 495754185 /nfs/dbraw/zinc/75/41/85/495754185.db2.gz FKONCEPPNUSPAP-IRXDYDNUSA-N 2 1 352.906 3.030 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146748 495754192 /nfs/dbraw/zinc/75/41/92/495754192.db2.gz FKONCEPPNUSPAP-IRXDYDNUSA-N 2 1 352.906 3.030 20 0 FGADMP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630962 505801929 /nfs/dbraw/zinc/80/19/29/505801929.db2.gz QKBJZEMCRZVTHD-LPHOPBHVSA-N 2 1 364.493 3.322 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000154883463 495761292 /nfs/dbraw/zinc/76/12/92/495761292.db2.gz GBGCRBHVIVPVBJ-KRWDZBQOSA-N 2 1 364.497 3.353 20 0 FGADMP CCc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173956046 495764376 /nfs/dbraw/zinc/76/43/76/495764376.db2.gz PBASCBMHICFACE-GOSISDBHSA-N 2 1 373.541 3.153 20 0 FGADMP C[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954578 495773379 /nfs/dbraw/zinc/77/33/79/495773379.db2.gz GECJUGPNPOFDGA-OAHLLOKOSA-N 2 1 354.336 3.079 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000180091837 495854062 /nfs/dbraw/zinc/85/40/62/495854062.db2.gz SCXMRNFIWLSAMI-GOSISDBHSA-N 2 1 370.324 3.198 20 0 FGADMP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000155160847 495857781 /nfs/dbraw/zinc/85/77/81/495857781.db2.gz RHRAJGLDHHHEMS-GOSISDBHSA-N 2 1 364.534 3.036 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183155770 495859173 /nfs/dbraw/zinc/85/91/73/495859173.db2.gz UNJUPVGWFATFQQ-PCCBWWKXSA-N 2 1 357.542 3.039 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174220130 495869884 /nfs/dbraw/zinc/86/98/84/495869884.db2.gz RJIQDHMBSZSHRO-MRXNPFEDSA-N 2 1 351.922 3.010 20 0 FGADMP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccccc1 ZINC000180133040 495873286 /nfs/dbraw/zinc/87/32/86/495873286.db2.gz UFSKMGRUDUQGGV-FRIKZZABSA-N 2 1 363.505 3.202 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656383 495975750 /nfs/dbraw/zinc/97/57/50/495975750.db2.gz UWJVVAYDKNFKFU-CYBMUJFWSA-N 2 1 372.340 3.444 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000151903351 495986617 /nfs/dbraw/zinc/98/66/17/495986617.db2.gz ZZJZGTAUJHMFDN-SIKLNZKXSA-N 2 1 369.557 3.493 20 0 FGADMP COc1ccccc1NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183675411 496072420 /nfs/dbraw/zinc/07/24/20/496072420.db2.gz WHGQSIYJOVULQA-OAHLLOKOSA-N 2 1 364.449 3.479 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)c1 ZINC000155876698 496094741 /nfs/dbraw/zinc/09/47/41/496094741.db2.gz MCQVBHHRMDTGEE-UHFFFAOYSA-N 2 1 357.542 3.476 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000155985002 496124984 /nfs/dbraw/zinc/12/49/84/496124984.db2.gz XEOFXNLOWHFYKB-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(c1ccc(Cl)cc1)N1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152456051 496157251 /nfs/dbraw/zinc/15/72/51/496157251.db2.gz RSLOLIGETOVTAL-HNNXBMFYSA-N 2 1 361.917 3.019 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(N3CCCC3)cc2)C1 ZINC000174943114 496174936 /nfs/dbraw/zinc/17/49/36/496174936.db2.gz YDHVPAXPQGZZKZ-RBUKOAKNSA-N 2 1 372.557 3.278 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000174994483 496198984 /nfs/dbraw/zinc/19/89/84/496198984.db2.gz FYFVOSXNMZRLHJ-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP CN(CC[N@@H+](C)CCOc1ccc(C(F)(F)F)cc1)C1CC[NH+](C)CC1 ZINC000180927513 496203842 /nfs/dbraw/zinc/20/38/42/496203842.db2.gz QGGKPWXVUVXEBP-UHFFFAOYSA-N 2 1 373.463 3.042 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC2(CC2)C1 ZINC000186951922 496226338 /nfs/dbraw/zinc/22/63/38/496226338.db2.gz QVFKVUYJGQKZBI-GOSISDBHSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000574689501 505832380 /nfs/dbraw/zinc/83/23/80/505832380.db2.gz KBHWABLHBSJDLN-FCHUYYIVSA-N 2 1 369.553 3.279 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000152756554 496247780 /nfs/dbraw/zinc/24/77/80/496247780.db2.gz INKQQJSJXVOLSY-DCCYDQLOSA-N 2 1 364.578 3.011 20 0 FGADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1F ZINC000152801604 496259984 /nfs/dbraw/zinc/25/99/84/496259984.db2.gz AGKXGUCFPVMEGX-VDZJLULYSA-N 2 1 350.478 3.203 20 0 FGADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000178035752 496298131 /nfs/dbraw/zinc/29/81/31/496298131.db2.gz WUJUXJUFSNITIL-SCTDSRPQSA-N 2 1 362.514 3.388 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCC2 ZINC000162294916 496329652 /nfs/dbraw/zinc/32/96/52/496329652.db2.gz JCAOBKMGSLBFLI-QGZVFWFLSA-N 2 1 357.527 3.494 20 0 FGADMP Cc1ccc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)ccc2n1 ZINC000187197107 496335017 /nfs/dbraw/zinc/33/50/17/496335017.db2.gz AYFVVLPNESPGBY-NRFANRHFSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1ccc2cc(C[NH+]3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)ccc2n1 ZINC000187197107 496335021 /nfs/dbraw/zinc/33/50/21/496335021.db2.gz AYFVVLPNESPGBY-NRFANRHFSA-N 2 1 352.526 3.145 20 0 FGADMP C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156889420 496356647 /nfs/dbraw/zinc/35/66/47/496356647.db2.gz KGUHHKJYZAXXEI-JXFKEZNVSA-N 2 1 371.550 3.166 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181348983 496363190 /nfs/dbraw/zinc/36/31/90/496363190.db2.gz XVGIDGCSTIRONA-WAOWUJCRSA-N 2 1 351.494 3.116 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000162807165 496415767 /nfs/dbraw/zinc/41/57/67/496415767.db2.gz SGXUIDXCGBKIAF-KMFMINBZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000162807165 496415772 /nfs/dbraw/zinc/41/57/72/496415772.db2.gz SGXUIDXCGBKIAF-KMFMINBZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)CC[C@@H]21 ZINC000162807165 496415779 /nfs/dbraw/zinc/41/57/79/496415779.db2.gz SGXUIDXCGBKIAF-KMFMINBZSA-N 2 1 373.324 3.149 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000187479028 496458019 /nfs/dbraw/zinc/45/80/19/496458019.db2.gz SKEMTKJDIKWQNS-NRSPTQNISA-N 2 1 374.573 3.267 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2c(C)noc2C)CC1 ZINC000181635849 496480054 /nfs/dbraw/zinc/48/00/54/496480054.db2.gz RQSQZGPHTUJWLO-CQSZACIVSA-N 2 1 360.477 3.423 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000181636574 496480143 /nfs/dbraw/zinc/48/01/43/496480143.db2.gz FKOGOLBOMUVDGL-SFHVURJKSA-N 3 1 362.537 3.104 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)c1ccccc1 ZINC000181674978 496498234 /nfs/dbraw/zinc/49/82/34/496498234.db2.gz QEYZKFXXAQITJZ-DSKINZAPSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000181674978 496498240 /nfs/dbraw/zinc/49/82/40/496498240.db2.gz QEYZKFXXAQITJZ-DSKINZAPSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000181674978 496498245 /nfs/dbraw/zinc/49/82/45/496498245.db2.gz QEYZKFXXAQITJZ-DSKINZAPSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C(C)(C)C[NH+](C)C ZINC000173056069 496535770 /nfs/dbraw/zinc/53/57/70/496535770.db2.gz RARLHVRUCOGHCB-WMZOPIPTSA-N 2 1 363.521 3.130 20 0 FGADMP [NH3+]C[C@H](C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000178674572 496536420 /nfs/dbraw/zinc/53/64/20/496536420.db2.gz RBYXFCARGOORLC-FQEVSTJZSA-N 2 1 371.912 3.117 20 0 FGADMP [NH3+]C[C@H](C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000178674572 496536423 /nfs/dbraw/zinc/53/64/23/496536423.db2.gz RBYXFCARGOORLC-FQEVSTJZSA-N 2 1 371.912 3.117 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000178697275 496544145 /nfs/dbraw/zinc/54/41/45/496544145.db2.gz SEYJOBGCNUIQES-GJZGRUSLSA-N 2 1 355.486 3.462 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000173137617 496565238 /nfs/dbraw/zinc/56/52/38/496565238.db2.gz LQVAMUGMRAEQTK-YLJYHZDGSA-N 2 1 374.529 3.028 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000178826713 496585584 /nfs/dbraw/zinc/58/55/84/496585584.db2.gz NNDAZVXGIZLTGV-LJQANCHMSA-N 2 1 365.521 3.275 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000184985937 496611667 /nfs/dbraw/zinc/61/16/67/496611667.db2.gz ULFUGNHZZVMAAR-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCS2 ZINC000187967978 496635224 /nfs/dbraw/zinc/63/52/24/496635224.db2.gz ZBZNHJNVZDNPHZ-LJQANCHMSA-N 2 1 363.571 3.239 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)C[NH3+])[N@@H+]2CCc3sccc3C2)cc1 ZINC000164881970 496637217 /nfs/dbraw/zinc/63/72/17/496637217.db2.gz OAIKBQKSDOWZOE-SFHVURJKSA-N 2 1 357.523 3.046 20 0 FGADMP CC(C)c1ccc([C@H](CNC(=O)C[NH3+])[N@H+]2CCc3sccc3C2)cc1 ZINC000164881970 496637221 /nfs/dbraw/zinc/63/72/21/496637221.db2.gz OAIKBQKSDOWZOE-SFHVURJKSA-N 2 1 357.523 3.046 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)c1 ZINC000176006408 496641187 /nfs/dbraw/zinc/64/11/87/496641187.db2.gz XRDAZTJSCNGWKF-FQEVSTJZSA-N 2 1 355.457 3.490 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)c1 ZINC000176006408 496641191 /nfs/dbraw/zinc/64/11/91/496641191.db2.gz XRDAZTJSCNGWKF-FQEVSTJZSA-N 2 1 355.457 3.490 20 0 FGADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185086339 496652428 /nfs/dbraw/zinc/65/24/28/496652428.db2.gz VDODVLHBWNBBJS-DYESRHJHSA-N 2 1 365.525 3.032 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000173359944 496658139 /nfs/dbraw/zinc/65/81/39/496658139.db2.gz MWELCNNOCPCGFV-BBWFWOEESA-N 2 1 350.503 3.244 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CCOCC1 ZINC000154067608 496672783 /nfs/dbraw/zinc/67/27/83/496672783.db2.gz FAVWRAXRJDCPAT-RDJZCZTQSA-N 2 1 366.933 3.469 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc(Cl)nc1 ZINC000179109771 496679054 /nfs/dbraw/zinc/67/90/54/496679054.db2.gz BKGRNUSCUYUXCY-MRXNPFEDSA-N 2 1 358.917 3.333 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000173412306 496680776 /nfs/dbraw/zinc/68/07/76/496680776.db2.gz WNHPVHXRLBGZPV-MOPGFXCFSA-N 2 1 373.545 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000173412306 496680781 /nfs/dbraw/zinc/68/07/81/496680781.db2.gz WNHPVHXRLBGZPV-MOPGFXCFSA-N 2 1 373.545 3.057 20 0 FGADMP O=C(C[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168558264 496710633 /nfs/dbraw/zinc/71/06/33/496710633.db2.gz SIPRKQFTMXZPMB-HNNXBMFYSA-N 2 1 370.324 3.216 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168558361 496710871 /nfs/dbraw/zinc/71/08/71/496710871.db2.gz SIPRKQFTMXZPMB-OAHLLOKOSA-N 2 1 370.324 3.216 20 0 FGADMP CCN(C)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000191352171 496734071 /nfs/dbraw/zinc/73/40/71/496734071.db2.gz VEGPYDOAYJCLEJ-NRFANRHFSA-N 2 1 352.526 3.492 20 0 FGADMP CCN(C)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000191352171 496734077 /nfs/dbraw/zinc/73/40/77/496734077.db2.gz VEGPYDOAYJCLEJ-NRFANRHFSA-N 2 1 352.526 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000191352171 496734079 /nfs/dbraw/zinc/73/40/79/496734079.db2.gz VEGPYDOAYJCLEJ-NRFANRHFSA-N 2 1 352.526 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000191352171 496734083 /nfs/dbraw/zinc/73/40/83/496734083.db2.gz VEGPYDOAYJCLEJ-NRFANRHFSA-N 2 1 352.526 3.492 20 0 FGADMP C[N@H+](Cc1cccc2cccnc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317285 496750718 /nfs/dbraw/zinc/75/07/18/496750718.db2.gz LRSCQCDDDHYXRB-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP C[N@@H+](Cc1cccc2cccnc21)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317285 496750722 /nfs/dbraw/zinc/75/07/22/496750722.db2.gz LRSCQCDDDHYXRB-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP C[NH+](Cc1cccc2cccnc21)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188317285 496750727 /nfs/dbraw/zinc/75/07/27/496750727.db2.gz LRSCQCDDDHYXRB-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP C[NH+](Cc1cccc2cccnc21)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317285 496750731 /nfs/dbraw/zinc/75/07/31/496750731.db2.gz LRSCQCDDDHYXRB-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767247 /nfs/dbraw/zinc/76/72/47/496767247.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767250 /nfs/dbraw/zinc/76/72/50/496767250.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767254 /nfs/dbraw/zinc/76/72/54/496767254.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767261 /nfs/dbraw/zinc/76/72/61/496767261.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000247059860 496767265 /nfs/dbraw/zinc/76/72/65/496767265.db2.gz NSUJBXLGGBIWBB-DYQZNNLLSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccc2c(c1)COC2 ZINC000268730709 496768708 /nfs/dbraw/zinc/76/87/08/496768708.db2.gz MFLNEAJEPYTTTB-KRWDZBQOSA-N 2 1 352.478 3.400 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769716 496779550 /nfs/dbraw/zinc/77/95/50/496779550.db2.gz DNKZCIRMQAZSBA-YFVAEKQCSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769716 496779554 /nfs/dbraw/zinc/77/95/54/496779554.db2.gz DNKZCIRMQAZSBA-YFVAEKQCSA-N 2 1 354.494 3.371 20 0 FGADMP C[NH+](C)C1CCN(c2ccc(Nc3[nH+]cnc4[nH]ccc43)cc2F)CC1 ZINC000264007796 496787103 /nfs/dbraw/zinc/78/71/03/496787103.db2.gz QSVPNGIWVHQFBZ-UHFFFAOYSA-N 2 1 354.433 3.371 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000191504765 496787512 /nfs/dbraw/zinc/78/75/12/496787512.db2.gz GCMUYLOWUNGDNN-MRXNPFEDSA-N 2 1 360.477 3.002 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccc(F)cc1 ZINC000191504765 496787518 /nfs/dbraw/zinc/78/75/18/496787518.db2.gz GCMUYLOWUNGDNN-MRXNPFEDSA-N 2 1 360.477 3.002 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000191506103 496788379 /nfs/dbraw/zinc/78/83/79/496788379.db2.gz IOGUHUZUHGMTTA-LJQANCHMSA-N 2 1 372.488 3.492 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2F)C1=O ZINC000191506103 496788385 /nfs/dbraw/zinc/78/83/85/496788385.db2.gz IOGUHUZUHGMTTA-LJQANCHMSA-N 2 1 372.488 3.492 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCS2 ZINC000191516270 496794067 /nfs/dbraw/zinc/79/40/67/496794067.db2.gz CFLKRSRXBGLMPT-DNVCBOLYSA-N 2 1 362.539 3.323 20 0 FGADMP CC1CC[NH+](CCCC[NH2+]Cc2c(Cl)cccc2S(C)(=O)=O)CC1 ZINC000273398839 496794567 /nfs/dbraw/zinc/79/45/67/496794567.db2.gz KBOVDMCYAUTVTK-UHFFFAOYSA-N 2 1 372.962 3.345 20 0 FGADMP C[C@@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851246 496802875 /nfs/dbraw/zinc/80/28/75/496802875.db2.gz CDZHPILJGJYVJP-QUCCMNQESA-N 2 1 353.510 3.162 20 0 FGADMP C[C@@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851246 496802881 /nfs/dbraw/zinc/80/28/81/496802881.db2.gz CDZHPILJGJYVJP-QUCCMNQESA-N 2 1 353.510 3.162 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1OCC(=O)N(C)C ZINC000268856831 496805478 /nfs/dbraw/zinc/80/54/78/496805478.db2.gz ISBSLDAPTJPBGH-VQIMIIECSA-N 2 1 372.513 3.036 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000277551871 496809015 /nfs/dbraw/zinc/80/90/15/496809015.db2.gz RBAWAYINHIOOMD-HXUWFJFHSA-N 3 1 358.574 3.133 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000277551871 496809019 /nfs/dbraw/zinc/80/90/19/496809019.db2.gz RBAWAYINHIOOMD-HXUWFJFHSA-N 3 1 358.574 3.133 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1SC ZINC000268924520 496825129 /nfs/dbraw/zinc/82/51/29/496825129.db2.gz PMKDORPTRLEFFK-WBVHZDCISA-N 2 1 352.544 3.305 20 0 FGADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000247311190 496831421 /nfs/dbraw/zinc/83/14/21/496831421.db2.gz NZVROSPEDQJULC-DLBZAZTESA-N 2 1 368.949 3.395 20 0 FGADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000247311190 496831426 /nfs/dbraw/zinc/83/14/26/496831426.db2.gz NZVROSPEDQJULC-DLBZAZTESA-N 2 1 368.949 3.395 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000247382669 496848518 /nfs/dbraw/zinc/84/85/18/496848518.db2.gz FQFIRSPCZKVCGR-OXQOHEQNSA-N 2 1 369.484 3.374 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000269129701 496877813 /nfs/dbraw/zinc/87/78/13/496877813.db2.gz IQLDGLSKVOLMAB-IBGZPJMESA-N 2 1 369.513 3.424 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000269129701 496877817 /nfs/dbraw/zinc/87/78/17/496877817.db2.gz IQLDGLSKVOLMAB-IBGZPJMESA-N 2 1 369.513 3.424 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000247518619 496878602 /nfs/dbraw/zinc/87/86/02/496878602.db2.gz NDQXJCNVUYPSIP-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000247518619 496878605 /nfs/dbraw/zinc/87/86/05/496878605.db2.gz NDQXJCNVUYPSIP-WIYYLYMNSA-N 2 1 356.510 3.243 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000247535353 496881705 /nfs/dbraw/zinc/88/17/05/496881705.db2.gz OPBIWDFXXUNCRQ-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000247535353 496881706 /nfs/dbraw/zinc/88/17/06/496881706.db2.gz OPBIWDFXXUNCRQ-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000247535353 496881710 /nfs/dbraw/zinc/88/17/10/496881710.db2.gz OPBIWDFXXUNCRQ-YADHBBJMSA-N 2 1 368.521 3.189 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)c2)C1 ZINC000247981241 496937912 /nfs/dbraw/zinc/93/79/12/496937912.db2.gz IIVOKDYYIHRJHV-VSKRKVRLSA-N 2 1 369.553 3.442 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248043581 496948175 /nfs/dbraw/zinc/94/81/75/496948175.db2.gz UJSBPJQXZPIVSN-LMNJBCLMSA-N 2 1 360.542 3.140 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccc3)c2)CC12CCOCC2 ZINC000580952694 505876127 /nfs/dbraw/zinc/87/61/27/505876127.db2.gz PVWCABREJQVZCE-OAQYLSRUSA-N 2 1 366.505 3.453 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000248134237 496960414 /nfs/dbraw/zinc/96/04/14/496960414.db2.gz ZUHKHAMFPNJSNU-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248134237 496960418 /nfs/dbraw/zinc/96/04/18/496960418.db2.gz ZUHKHAMFPNJSNU-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000248134237 496960425 /nfs/dbraw/zinc/96/04/25/496960425.db2.gz ZUHKHAMFPNJSNU-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000248176163 496969743 /nfs/dbraw/zinc/96/97/43/496969743.db2.gz VQMAKIFZCDKLPH-IMFGXOCKSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000248176163 496969747 /nfs/dbraw/zinc/96/97/47/496969747.db2.gz VQMAKIFZCDKLPH-IMFGXOCKSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000248176163 496969748 /nfs/dbraw/zinc/96/97/48/496969748.db2.gz VQMAKIFZCDKLPH-IMFGXOCKSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000248176163 496969752 /nfs/dbraw/zinc/96/97/52/496969752.db2.gz VQMAKIFZCDKLPH-IMFGXOCKSA-N 2 1 361.505 3.151 20 0 FGADMP CC[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248180847 496969826 /nfs/dbraw/zinc/96/98/26/496969826.db2.gz WKPUYGVZTCNHQG-WDSOQIARSA-N 2 1 363.933 3.323 20 0 FGADMP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000248410869 497001442 /nfs/dbraw/zinc/00/14/42/497001442.db2.gz YPCYKCWHVFPUCA-UTYWTXRGSA-N 2 1 350.510 3.157 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cncc(Br)c1 ZINC000248624039 497061404 /nfs/dbraw/zinc/06/14/04/497061404.db2.gz OKIDPJBBCUQORG-KBXCAEBGSA-N 2 1 360.299 3.454 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@H]5C45CCC5)[C@@H]3C2)cc1 ZINC000248722702 497088203 /nfs/dbraw/zinc/08/82/03/497088203.db2.gz MJQPIFTUYSZUNZ-ZOJFBHTKSA-N 2 1 352.522 3.444 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000227374077 497089732 /nfs/dbraw/zinc/08/97/32/497089732.db2.gz SYNVGQQPYSYJIE-AZUAARDMSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192561376 497149713 /nfs/dbraw/zinc/14/97/13/497149713.db2.gz HOUBTNCSAJFTEI-BGYRXZFFSA-N 2 1 361.599 3.410 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192582434 497156954 /nfs/dbraw/zinc/15/69/54/497156954.db2.gz KSKLUITWIFSOGF-PGRDOPGGSA-N 2 1 369.553 3.372 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000249099444 497166342 /nfs/dbraw/zinc/16/63/42/497166342.db2.gz NHYWMCGDHYYZFI-BVOGOJNSSA-N 2 1 358.526 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCc1cc(COC(C)(C)C)on1 ZINC000249126972 497171647 /nfs/dbraw/zinc/17/16/47/497171647.db2.gz JLSZRGXIWMBTGK-OXQOHEQNSA-N 2 1 372.513 3.385 20 0 FGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]Cc1cc(COC(C)(C)C)on1 ZINC000249126972 497171650 /nfs/dbraw/zinc/17/16/50/497171650.db2.gz JLSZRGXIWMBTGK-OXQOHEQNSA-N 2 1 372.513 3.385 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCNc4ccccc43)cc2)CC1 ZINC000192705881 497189938 /nfs/dbraw/zinc/18/99/38/497189938.db2.gz SHWDABFBXAVPPO-QHCPKHFHSA-N 2 1 364.537 3.471 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000249393341 497197593 /nfs/dbraw/zinc/19/75/93/497197593.db2.gz SCLRCRBVANOLMM-KZNAEPCWSA-N 2 1 356.432 3.464 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000578206129 505887156 /nfs/dbraw/zinc/88/71/56/505887156.db2.gz IEBGXURRFDRYBE-FQEVSTJZSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000266020092 497234548 /nfs/dbraw/zinc/23/45/48/497234548.db2.gz RECVZVQPJSNREO-BBWFWOEESA-N 2 1 357.498 3.272 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237460342 497239884 /nfs/dbraw/zinc/23/98/84/497239884.db2.gz RLGVHIYXIWBGPU-IOMROCGXSA-N 2 1 351.494 3.103 20 0 FGADMP O=C(CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)Nc1ccccc1 ZINC000278854310 497243444 /nfs/dbraw/zinc/24/34/44/497243444.db2.gz KLPKTQWEOKMNIE-UHFFFAOYSA-N 2 1 352.482 3.428 20 0 FGADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927571 497248452 /nfs/dbraw/zinc/24/84/52/497248452.db2.gz RNQKNHWVPLQKAX-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1)C(C)C ZINC000572117392 505894365 /nfs/dbraw/zinc/89/43/65/505894365.db2.gz HPXRXBAAPUHKRO-NHCUHLMSSA-N 2 1 357.542 3.379 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237602882 497262444 /nfs/dbraw/zinc/26/24/44/497262444.db2.gz UNQGDWOERATGLM-DYESRHJHSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCC[NH2+]C1 ZINC000237649975 497268781 /nfs/dbraw/zinc/26/87/81/497268781.db2.gz UWVZAEZGDKLESQ-WWNBULGVSA-N 2 1 363.571 3.273 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266179250 497273857 /nfs/dbraw/zinc/27/38/57/497273857.db2.gz AJALBORKOPJIRB-UHFFFAOYSA-N 2 1 372.538 3.115 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000278968352 497285472 /nfs/dbraw/zinc/28/54/72/497285472.db2.gz NEXMFLYDUMINPA-DLBZAZTESA-N 2 1 365.481 3.109 20 0 FGADMP CN(C)C(=O)c1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278984260 497291600 /nfs/dbraw/zinc/29/16/00/497291600.db2.gz ZQEWPGCYEXWPFX-UHFFFAOYSA-N 2 1 366.509 3.301 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000278993593 497294568 /nfs/dbraw/zinc/29/45/68/497294568.db2.gz QIUDNHCEGAYQBM-STQMWFEESA-N 2 1 351.397 3.406 20 0 FGADMP C[C@H](CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC000252441524 497298798 /nfs/dbraw/zinc/29/87/98/497298798.db2.gz NHDDEAUYBFXYCZ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc12 ZINC000237891061 497308349 /nfs/dbraw/zinc/30/83/49/497308349.db2.gz KKQXGUKRNJVLGF-INIZCTEOSA-N 2 1 369.538 3.340 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc12 ZINC000237891061 497308355 /nfs/dbraw/zinc/30/83/55/497308355.db2.gz KKQXGUKRNJVLGF-INIZCTEOSA-N 2 1 369.538 3.340 20 0 FGADMP [NH3+][C@@H](CCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237940628 497317103 /nfs/dbraw/zinc/31/71/03/497317103.db2.gz AGANJRYKJXTELD-RTWAWAEBSA-N 2 1 351.494 3.247 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cn1cccn1 ZINC000279067031 497323094 /nfs/dbraw/zinc/32/30/94/497323094.db2.gz ZTADCSXKJSVXLU-IRXDYDNUSA-N 2 1 365.481 3.050 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)COCc3cccs3)C2)CC1 ZINC000253359979 497328501 /nfs/dbraw/zinc/32/85/01/497328501.db2.gz WJWDOQCVEKZPPF-RTBURBONSA-N 2 1 366.571 3.070 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)COCc3cccs3)C2)CC1 ZINC000253359979 497328507 /nfs/dbraw/zinc/32/85/07/497328507.db2.gz WJWDOQCVEKZPPF-RTBURBONSA-N 2 1 366.571 3.070 20 0 FGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(OCc3ccccc3)c2)CC1 ZINC000575001698 505903055 /nfs/dbraw/zinc/90/30/55/505903055.db2.gz KZDHFQHTFQGEGI-UHFFFAOYSA-N 2 1 354.494 3.202 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000572156448 505903104 /nfs/dbraw/zinc/90/31/04/505903104.db2.gz LUPIJRQMKONWHT-LNLFQRSKSA-N 2 1 372.557 3.375 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000271558915 497383607 /nfs/dbraw/zinc/38/36/07/497383607.db2.gz WLVTWIVGHCHECA-FGTMMUONSA-N 2 1 350.503 3.330 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)C1 ZINC000245433793 497404288 /nfs/dbraw/zinc/40/42/88/497404288.db2.gz PJXNPTGPNAHFBX-SQNIBIBYSA-N 2 1 363.571 3.464 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000245454469 497415761 /nfs/dbraw/zinc/41/57/61/497415761.db2.gz SAIYCMKDUDJYGW-AZUAARDMSA-N 2 1 373.566 3.438 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(CC[NH3+])CCc2ccccc2)cc1)C1CC1 ZINC000261815883 497456823 /nfs/dbraw/zinc/45/68/23/497456823.db2.gz XHVDGWXDWIJCFO-UHFFFAOYSA-N 2 1 365.521 3.315 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261934861 497478688 /nfs/dbraw/zinc/47/86/88/497478688.db2.gz WQRJGLUOWDDLCU-HMFYCAOWSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000261960558 497483373 /nfs/dbraw/zinc/48/33/73/497483373.db2.gz RTCSPBHOJPFWLJ-YLJYHZDGSA-N 2 1 355.526 3.067 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC[C@@H]2CCCO2)C3)cc1 ZINC000245650373 497488303 /nfs/dbraw/zinc/48/83/03/497488303.db2.gz CIJIRKCQZYAJNI-KJJMTIBFSA-N 2 1 358.526 3.357 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003773 497491652 /nfs/dbraw/zinc/49/16/52/497491652.db2.gz UJZWAEHOTHYWMP-KRWDZBQOSA-N 2 1 355.448 3.213 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003773 497491658 /nfs/dbraw/zinc/49/16/58/497491658.db2.gz UJZWAEHOTHYWMP-KRWDZBQOSA-N 2 1 355.448 3.213 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262003773 497491664 /nfs/dbraw/zinc/49/16/64/497491664.db2.gz UJZWAEHOTHYWMP-KRWDZBQOSA-N 2 1 355.448 3.213 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581105154 505910221 /nfs/dbraw/zinc/91/02/21/505910221.db2.gz OHFQOXMKFDYCAN-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000581105154 505910225 /nfs/dbraw/zinc/91/02/25/505910225.db2.gz OHFQOXMKFDYCAN-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581105154 505910226 /nfs/dbraw/zinc/91/02/26/505910226.db2.gz OHFQOXMKFDYCAN-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262117915 497510739 /nfs/dbraw/zinc/51/07/39/497510739.db2.gz BRWAOLHPEJPGAE-ATZDWAIDSA-N 2 1 363.933 3.371 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267369453 497534922 /nfs/dbraw/zinc/53/49/22/497534922.db2.gz SKROTCBEDOPHLR-GHTZIAJQSA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)c1 ZINC000267396778 497542429 /nfs/dbraw/zinc/54/24/29/497542429.db2.gz XDZNVBNKXHVVNW-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)(CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000262353345 497543908 /nfs/dbraw/zinc/54/39/08/497543908.db2.gz USIOFGGMMWGVSD-FWGXRIOKSA-N 2 1 369.553 3.093 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194070632 497564041 /nfs/dbraw/zinc/56/40/41/497564041.db2.gz HJEXQHOIQDBGIY-LJQANCHMSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000272309986 497593561 /nfs/dbraw/zinc/59/35/61/497593561.db2.gz OUABZDUXBKNRPA-PMACEKPBSA-N 2 1 374.525 3.109 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000262670167 497596259 /nfs/dbraw/zinc/59/62/59/497596259.db2.gz RHCLPBANUKSOSI-VQIMIIECSA-N 2 1 357.523 3.085 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccsc1 ZINC000246152865 497640199 /nfs/dbraw/zinc/64/01/99/497640199.db2.gz DBOAHMRDMABLDC-KBAYOESNSA-N 2 1 366.575 3.113 20 0 FGADMP C[C@H](NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272550644 497659252 /nfs/dbraw/zinc/65/92/52/497659252.db2.gz FENQLWKXDRZVPL-UNMCSNQZSA-N 2 1 371.569 3.132 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000246205892 497660153 /nfs/dbraw/zinc/66/01/53/497660153.db2.gz YJULRJAQAYRRLK-WZGPROSRSA-N 2 1 358.530 3.207 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246290430 497685551 /nfs/dbraw/zinc/68/55/51/497685551.db2.gz BMOYPRVWQWVOME-WOJBJXKFSA-N 2 1 372.601 3.427 20 0 FGADMP C[C@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000246290430 497685557 /nfs/dbraw/zinc/68/55/57/497685557.db2.gz BMOYPRVWQWVOME-WOJBJXKFSA-N 2 1 372.601 3.427 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC000246343943 497702397 /nfs/dbraw/zinc/70/23/97/497702397.db2.gz FAFBCAOIQBRRSL-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCOCC2)[C@@H](C)C1 ZINC000246356890 497706125 /nfs/dbraw/zinc/70/61/25/497706125.db2.gz IDVJFLMUXRBTTC-FFZOFVMBSA-N 2 1 365.949 3.033 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000263171306 497723322 /nfs/dbraw/zinc/72/33/22/497723322.db2.gz FTIDADGTEBVCOE-QHCPKHFHSA-N 2 1 369.553 3.281 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000246446426 497737597 /nfs/dbraw/zinc/73/75/97/497737597.db2.gz NPDAFYNOUCMIPQ-DNVCBOLYSA-N 2 1 351.454 3.365 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000272854463 497745755 /nfs/dbraw/zinc/74/57/55/497745755.db2.gz IGQDMQSILKNYBH-DYESRHJHSA-N 2 1 354.494 3.421 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000246489051 497750905 /nfs/dbraw/zinc/75/09/05/497750905.db2.gz WCEYNTHKPFERNX-KURKYZTESA-N 2 1 352.567 3.011 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000246489051 497750911 /nfs/dbraw/zinc/75/09/11/497750911.db2.gz WCEYNTHKPFERNX-KURKYZTESA-N 2 1 352.567 3.011 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC000246505983 497757846 /nfs/dbraw/zinc/75/78/46/497757846.db2.gz WVNCGYIYXICDHO-MOPGFXCFSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000246505983 497757849 /nfs/dbraw/zinc/75/78/49/497757849.db2.gz WVNCGYIYXICDHO-MOPGFXCFSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000246505983 497757853 /nfs/dbraw/zinc/75/78/53/497757853.db2.gz WVNCGYIYXICDHO-MOPGFXCFSA-N 2 1 366.594 3.260 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000246510463 497758461 /nfs/dbraw/zinc/75/84/61/497758461.db2.gz TZVXUJODYOVBTB-CWFSZBLJSA-N 2 1 362.514 3.122 20 0 FGADMP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581587 497781426 /nfs/dbraw/zinc/78/14/26/497781426.db2.gz GDQRNDUHTJCVHH-GPHNJDIKSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751834 497808134 /nfs/dbraw/zinc/80/81/34/497808134.db2.gz QGWKHRDSVPNGHR-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751834 497808135 /nfs/dbraw/zinc/80/81/35/497808135.db2.gz QGWKHRDSVPNGHR-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751834 497808136 /nfs/dbraw/zinc/80/81/36/497808136.db2.gz QGWKHRDSVPNGHR-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1cc(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000292018436 497842243 /nfs/dbraw/zinc/84/22/43/497842243.db2.gz YZMSDYGFBHWBPO-IBGZPJMESA-N 2 1 373.545 3.006 20 0 FGADMP Cc1cc(CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc(N2CCCC2)[nH+]1 ZINC000292018436 497842251 /nfs/dbraw/zinc/84/22/51/497842251.db2.gz YZMSDYGFBHWBPO-IBGZPJMESA-N 2 1 373.545 3.006 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000578429911 505937767 /nfs/dbraw/zinc/93/77/67/505937767.db2.gz BRRJXJNSGXIQNG-HNNXBMFYSA-N 2 1 360.477 3.078 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442253 505940605 /nfs/dbraw/zinc/94/06/05/505940605.db2.gz GHVVHSOHUKFMFR-FCHUYYIVSA-N 2 1 371.569 3.130 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442253 505940608 /nfs/dbraw/zinc/94/06/08/505940608.db2.gz GHVVHSOHUKFMFR-FCHUYYIVSA-N 2 1 371.569 3.130 20 0 FGADMP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479530 505949049 /nfs/dbraw/zinc/94/90/49/505949049.db2.gz OBVRGCCUXWEZAD-ILWGZMRPSA-N 2 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479530 505949051 /nfs/dbraw/zinc/94/90/51/505949051.db2.gz OBVRGCCUXWEZAD-ILWGZMRPSA-N 3 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479530 505949052 /nfs/dbraw/zinc/94/90/52/505949052.db2.gz OBVRGCCUXWEZAD-ILWGZMRPSA-N 3 1 352.526 3.243 20 0 FGADMP Cn1cncc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479528 505949136 /nfs/dbraw/zinc/94/91/36/505949136.db2.gz OBVRGCCUXWEZAD-BAGYTPMASA-N 2 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479528 505949138 /nfs/dbraw/zinc/94/91/38/505949138.db2.gz OBVRGCCUXWEZAD-BAGYTPMASA-N 3 1 352.526 3.243 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000578479528 505949139 /nfs/dbraw/zinc/94/91/39/505949139.db2.gz OBVRGCCUXWEZAD-BAGYTPMASA-N 3 1 352.526 3.243 20 0 FGADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000284908094 497939386 /nfs/dbraw/zinc/93/93/86/497939386.db2.gz GAZUEVVPBXABRF-UHFFFAOYSA-N 2 1 372.465 3.219 20 0 FGADMP COc1ccc(-c2nc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)cs2)cc1OC ZINC000292272570 497948068 /nfs/dbraw/zinc/94/80/68/497948068.db2.gz ZUNBVFOTLWJTIB-FQEVSTJZSA-N 2 1 373.522 3.355 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(F)cc3F)CC2)CC1 ZINC000572374943 505953731 /nfs/dbraw/zinc/95/37/31/505953731.db2.gz FOEZVRSVSNSROD-UHFFFAOYSA-N 2 1 351.441 3.100 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000569559365 505964857 /nfs/dbraw/zinc/96/48/57/505964857.db2.gz FUJNVBFEQCMQJH-SESVDKBCSA-N 2 1 366.509 3.266 20 0 FGADMP COc1nccc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000569559365 505964859 /nfs/dbraw/zinc/96/48/59/505964859.db2.gz FUJNVBFEQCMQJH-SESVDKBCSA-N 2 1 366.509 3.266 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc[nH+]1 ZINC000330114581 498026923 /nfs/dbraw/zinc/02/69/23/498026923.db2.gz DZRHUTAHBNCZKZ-GNBUJSLZSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc[nH+]1 ZINC000330114581 498026926 /nfs/dbraw/zinc/02/69/26/498026926.db2.gz DZRHUTAHBNCZKZ-GNBUJSLZSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000330142562 498036711 /nfs/dbraw/zinc/03/67/11/498036711.db2.gz QRIJKZSOPIKWSA-JPLJXNOCSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc[nH+]1 ZINC000330142562 498036719 /nfs/dbraw/zinc/03/67/19/498036719.db2.gz QRIJKZSOPIKWSA-JPLJXNOCSA-N 2 1 373.545 3.013 20 0 FGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000289153443 498036784 /nfs/dbraw/zinc/03/67/84/498036784.db2.gz GLDRMTVNNIEUPV-HXUWFJFHSA-N 2 1 370.468 3.444 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000364618866 498053132 /nfs/dbraw/zinc/05/31/32/498053132.db2.gz AYOKRAGCTAETBS-HKUYNNGSSA-N 2 1 357.523 3.233 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CCCC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000364649109 498068012 /nfs/dbraw/zinc/06/80/12/498068012.db2.gz SDOWYTPSGFVICC-UHFFFAOYSA-N 2 1 362.518 3.116 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CCCC(=O)OC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000364649109 498068019 /nfs/dbraw/zinc/06/80/19/498068019.db2.gz SDOWYTPSGFVICC-UHFFFAOYSA-N 2 1 362.518 3.116 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285491043 498104972 /nfs/dbraw/zinc/10/49/72/498104972.db2.gz MBTRZHHIRKRJMD-FCLJQHQZSA-N 2 1 372.431 3.002 20 0 FGADMP C[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285491043 498104979 /nfs/dbraw/zinc/10/49/79/498104979.db2.gz MBTRZHHIRKRJMD-FCLJQHQZSA-N 2 1 372.431 3.002 20 0 FGADMP C[NH+](C[C@@H](O)COc1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285491043 498104985 /nfs/dbraw/zinc/10/49/85/498104985.db2.gz MBTRZHHIRKRJMD-FCLJQHQZSA-N 2 1 372.431 3.002 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000281375454 498126306 /nfs/dbraw/zinc/12/63/06/498126306.db2.gz DYXIBGAVFGCMRF-CQSZACIVSA-N 2 1 359.445 3.072 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000281375454 498126311 /nfs/dbraw/zinc/12/63/11/498126311.db2.gz DYXIBGAVFGCMRF-CQSZACIVSA-N 2 1 359.445 3.072 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000364762811 498132523 /nfs/dbraw/zinc/13/25/23/498132523.db2.gz CBDWNTNIXUCHJK-KDXIVRHGSA-N 2 1 360.542 3.104 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000364762809 498132847 /nfs/dbraw/zinc/13/28/47/498132847.db2.gz CBDWNTNIXUCHJK-HLRQEUIKSA-N 2 1 360.542 3.104 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824769 498160547 /nfs/dbraw/zinc/16/05/47/498160547.db2.gz QLAXJAOKWULTPG-GOSISDBHSA-N 2 1 363.299 3.253 20 0 FGADMP C[N@@H+]1CC[C@@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824769 498160551 /nfs/dbraw/zinc/16/05/51/498160551.db2.gz QLAXJAOKWULTPG-GOSISDBHSA-N 2 1 363.299 3.253 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824769 498160556 /nfs/dbraw/zinc/16/05/56/498160556.db2.gz QLAXJAOKWULTPG-GOSISDBHSA-N 2 1 363.299 3.253 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824769 498160565 /nfs/dbraw/zinc/16/05/65/498160565.db2.gz QLAXJAOKWULTPG-GOSISDBHSA-N 2 1 363.299 3.253 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CC3=Cc4cc(Br)ccc4OC3)C2)C1 ZINC000292824769 498160568 /nfs/dbraw/zinc/16/05/68/498160568.db2.gz QLAXJAOKWULTPG-GOSISDBHSA-N 2 1 363.299 3.253 20 0 FGADMP CC(C)[C@@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000569674451 505989920 /nfs/dbraw/zinc/98/99/20/505989920.db2.gz PZCBPNCCEAZIPN-JOCHJYFZSA-N 2 1 369.553 3.060 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686282 505993385 /nfs/dbraw/zinc/99/33/85/505993385.db2.gz JNERRXKQMJFYOE-DZGCQCFKSA-N 2 1 361.313 3.055 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296806351 498204490 /nfs/dbraw/zinc/20/44/90/498204490.db2.gz WVJJHARBJCAZOB-YQQQUEKLSA-N 2 1 374.529 3.154 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1ccc(CC[NH+]3CCCCC3)cc1)C2 ZINC000289589123 498208178 /nfs/dbraw/zinc/20/81/78/498208178.db2.gz MYLLFYGXQCRTAI-IBGZPJMESA-N 2 1 366.509 3.421 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285865523 498224383 /nfs/dbraw/zinc/22/43/83/498224383.db2.gz YPYNGUWPSCTLLJ-BBWFWOEESA-N 2 1 354.498 3.099 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285865523 498224388 /nfs/dbraw/zinc/22/43/88/498224388.db2.gz YPYNGUWPSCTLLJ-BBWFWOEESA-N 2 1 354.498 3.099 20 0 FGADMP c1cc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)ccn1 ZINC000359979591 498234132 /nfs/dbraw/zinc/23/41/32/498234132.db2.gz UBBWVAXXTDTFON-PWRODBHTSA-N 2 1 355.526 3.026 20 0 FGADMP COC(=O)N1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000285906396 498237160 /nfs/dbraw/zinc/23/71/60/498237160.db2.gz DAESZZZWNIYBFB-UHFFFAOYSA-N 2 1 359.514 3.250 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000360323259 498264561 /nfs/dbraw/zinc/26/45/61/498264561.db2.gz NULHFUPBUNKSHG-PZJWPPBQSA-N 2 1 358.526 3.002 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000360323259 498264569 /nfs/dbraw/zinc/26/45/69/498264569.db2.gz NULHFUPBUNKSHG-PZJWPPBQSA-N 2 1 358.526 3.002 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nc(CC(F)(F)F)no3)c2)CC[N@H+]1C ZINC000289763520 498281662 /nfs/dbraw/zinc/28/16/62/498281662.db2.gz LTLPJZYFRPAZDL-IUODEOHRSA-N 2 1 368.403 3.414 20 0 FGADMP C[C@H]1C[C@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169957 498292280 /nfs/dbraw/zinc/29/22/80/498292280.db2.gz WCQLQFOQHRCSFT-WMQCIHAUSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169957 498292293 /nfs/dbraw/zinc/29/22/93/498292293.db2.gz WCQLQFOQHRCSFT-WMQCIHAUSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169957 498292299 /nfs/dbraw/zinc/29/22/99/498292299.db2.gz WCQLQFOQHRCSFT-WMQCIHAUSA-N 2 1 351.494 3.246 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)cc1)C(C)C ZINC000289837947 498317321 /nfs/dbraw/zinc/31/73/21/498317321.db2.gz KAQKNDJCJWRVSB-INIZCTEOSA-N 2 1 372.538 3.442 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000572594893 506006218 /nfs/dbraw/zinc/00/62/18/506006218.db2.gz ISFDZAKIFZDANY-FCEUIQTBSA-N 2 1 368.521 3.317 20 0 FGADMP CN(C)C(=O)c1ccc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000361154314 498352224 /nfs/dbraw/zinc/35/22/24/498352224.db2.gz PRKAVQPBUSXOAA-FQEVSTJZSA-N 2 1 368.525 3.203 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101765 498384746 /nfs/dbraw/zinc/38/47/46/498384746.db2.gz IRKSZLAKRBIHRA-WIYYLYMNSA-N 2 1 358.526 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCC34CCOCC4)c2)CCO1 ZINC000282101765 498384752 /nfs/dbraw/zinc/38/47/52/498384752.db2.gz IRKSZLAKRBIHRA-WIYYLYMNSA-N 2 1 358.526 3.346 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)[C@H]1c1cccs1 ZINC000361717102 498422952 /nfs/dbraw/zinc/42/29/52/498422952.db2.gz AXUIBBQJUFXXSI-OREBXVKISA-N 2 1 361.555 3.168 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1cccs1 ZINC000361720312 498423616 /nfs/dbraw/zinc/42/36/16/498423616.db2.gz XWDBPLWJUKMTAD-AZYQFLJNSA-N 2 1 361.555 3.168 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+](C2CCC2)C1 ZINC000293645828 498440480 /nfs/dbraw/zinc/44/04/80/498440480.db2.gz HUFXQJYLFRUUAT-SFHVURJKSA-N 2 1 355.526 3.229 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572718614 506035594 /nfs/dbraw/zinc/03/55/94/506035594.db2.gz MOCCKQHQUMEGDD-UYHISHBKSA-N 2 1 367.896 3.260 20 0 FGADMP Cc1ccc2[nH+]ccc(N3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)c2c1 ZINC000302242120 498456853 /nfs/dbraw/zinc/45/68/53/498456853.db2.gz YJCLXPDGSLJBNR-DFNIBXOVSA-N 2 1 350.510 3.290 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(-c2ccncc2)c1 ZINC000282307751 498460832 /nfs/dbraw/zinc/46/08/32/498460832.db2.gz MUNKPBIIPBMRKV-SFHVURJKSA-N 2 1 352.526 3.425 20 0 FGADMP COC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000365435448 498466258 /nfs/dbraw/zinc/46/62/58/498466258.db2.gz XNMBYGLLHXXDRO-UHFFFAOYSA-N 2 1 358.526 3.170 20 0 FGADMP O=C1O[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CC2 ZINC000365463233 498479766 /nfs/dbraw/zinc/47/97/66/498479766.db2.gz LONYJJIGQGEWRJ-LJQANCHMSA-N 2 1 354.494 3.070 20 0 FGADMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000290253948 498484672 /nfs/dbraw/zinc/48/46/72/498484672.db2.gz ULKDFTBRSKFNIZ-HWELCPFYSA-N 2 1 357.542 3.326 20 0 FGADMP Cc1[nH+]c(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)c2n1CCCC2 ZINC000362273448 498485129 /nfs/dbraw/zinc/48/51/29/498485129.db2.gz QMSLXFNFSYKXBG-UHFFFAOYSA-N 2 1 352.482 3.054 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCS(=O)(=O)C(C)C)cc1F ZINC000362290770 498488580 /nfs/dbraw/zinc/48/85/80/498488580.db2.gz SSJSTUFYPRBKNM-AWEZNQCLSA-N 2 1 367.490 3.184 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)[nH+]1 ZINC000365509728 498504975 /nfs/dbraw/zinc/50/49/75/498504975.db2.gz RXROKFUPEPNBCD-UHFFFAOYSA-N 2 1 373.545 3.285 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000578888231 506045555 /nfs/dbraw/zinc/04/55/55/506045555.db2.gz XEYDOLLIFXYKBV-JJRVBVJISA-N 2 1 354.926 3.148 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569924613 506049633 /nfs/dbraw/zinc/04/96/33/506049633.db2.gz AKUYBYIYONWYJU-LJHODMEESA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569924613 506049635 /nfs/dbraw/zinc/04/96/35/506049635.db2.gz AKUYBYIYONWYJU-LJHODMEESA-N 2 1 367.896 3.261 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(CNCc3c(F)ccc(O)c3F)c2)CCO1 ZINC000294167024 498608182 /nfs/dbraw/zinc/60/81/82/498608182.db2.gz IZLGADCYUQTBBM-AWEZNQCLSA-N 2 1 362.420 3.181 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1ccccc1OC(F)(F)F ZINC000572846791 506066452 /nfs/dbraw/zinc/06/64/52/506066452.db2.gz HFAXYLMNRHNGOU-UHFFFAOYSA-N 2 1 359.436 3.043 20 0 FGADMP CN(CC[N@H+](C)Cc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000572846791 506066454 /nfs/dbraw/zinc/06/64/54/506066454.db2.gz HFAXYLMNRHNGOU-UHFFFAOYSA-N 2 1 359.436 3.043 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1OC(F)(F)F)C1CC[NH+](C)CC1 ZINC000572846791 506066456 /nfs/dbraw/zinc/06/64/56/506066456.db2.gz HFAXYLMNRHNGOU-UHFFFAOYSA-N 2 1 359.436 3.043 20 0 FGADMP C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000365844035 498667252 /nfs/dbraw/zinc/66/72/52/498667252.db2.gz SVTMUJFQRZKKGE-GOSISDBHSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130653 498673581 /nfs/dbraw/zinc/67/35/81/498673581.db2.gz PZNSEVRUTUIQSQ-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000572881718 506074420 /nfs/dbraw/zinc/07/44/20/506074420.db2.gz FNHPDYFFGXFZRD-LSDHHAIUSA-N 2 1 369.431 3.356 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)cc1O ZINC000290819168 498689402 /nfs/dbraw/zinc/68/94/02/498689402.db2.gz WWKDBELBKWNXEQ-JXFKEZNVSA-N 2 1 370.493 3.208 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000363182952 498691244 /nfs/dbraw/zinc/69/12/44/498691244.db2.gz KAYGKELADVSCAP-GOSISDBHSA-N 2 1 361.534 3.229 20 0 FGADMP C[C@@H]1CCC[C@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365911699 498696466 /nfs/dbraw/zinc/69/64/66/498696466.db2.gz LEZRCXFBKBDFCF-QUCCMNQESA-N 2 1 363.590 3.467 20 0 FGADMP C[C@H]1CC/C(=C\C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365925091 498700334 /nfs/dbraw/zinc/70/03/34/498700334.db2.gz SNGWOJBDSNICOZ-ONZPZFSWSA-N 2 1 361.574 3.388 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC3(C4CCC4)CCC3)CC2)CC1 ZINC000572898553 506079432 /nfs/dbraw/zinc/07/94/32/506079432.db2.gz DEQAWLFIJYULMG-UHFFFAOYSA-N 2 1 361.574 3.269 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363260486 498733577 /nfs/dbraw/zinc/73/35/77/498733577.db2.gz WSPYAOAXNLXMEQ-BHDDXSALSA-N 2 1 367.537 3.229 20 0 FGADMP CN(C(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311496203 498751511 /nfs/dbraw/zinc/75/15/11/498751511.db2.gz VSIYOHVPLXRUAO-LEWJYISDSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682414 498760534 /nfs/dbraw/zinc/76/05/34/498760534.db2.gz LFWIKXNYFQLQHS-YUXAGFNASA-N 2 1 365.521 3.493 20 0 FGADMP C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000312681371 498760551 /nfs/dbraw/zinc/76/05/51/498760551.db2.gz KYZYYHQSKAUWKR-GMQQQROESA-N 2 1 365.521 3.349 20 0 FGADMP CC(C)[C@H](C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363321637 498761246 /nfs/dbraw/zinc/76/12/46/498761246.db2.gz UFQUEJKMWSAFQK-GOSISDBHSA-N 2 1 351.579 3.323 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000363349952 498775189 /nfs/dbraw/zinc/77/51/89/498775189.db2.gz UBKBZRABMRMUAE-KRWDZBQOSA-N 2 1 366.575 3.073 20 0 FGADMP CCN(C(=O)[C@@H]1CCCn2ccnc21)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000363354947 498776341 /nfs/dbraw/zinc/77/63/41/498776341.db2.gz FXTAPFOWHYBHFU-MISYRCLQSA-N 2 1 366.509 3.445 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)C1 ZINC000363358717 498779448 /nfs/dbraw/zinc/77/94/48/498779448.db2.gz JGPLSIKUAULPBF-FDYSRKEFSA-N 2 1 364.578 3.013 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000298515542 498799349 /nfs/dbraw/zinc/79/93/49/498799349.db2.gz REWANUFOMCWRQJ-UHFFFAOYSA-N 3 1 357.542 3.124 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCn3c(cnc3C3CCCCC3)C2)C1 ZINC000332822105 498803318 /nfs/dbraw/zinc/80/33/18/498803318.db2.gz NYXCAJYPXAYWED-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP C[C@H]1CCC[N@H+](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000332822105 498803324 /nfs/dbraw/zinc/80/33/24/498803324.db2.gz NYXCAJYPXAYWED-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000366241915 498837033 /nfs/dbraw/zinc/83/70/33/498837033.db2.gz TUWXWOUKCRXCMK-KRWDZBQOSA-N 2 1 355.530 3.030 20 0 FGADMP COCC[NH2+]C1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000579126225 506099712 /nfs/dbraw/zinc/09/97/12/506099712.db2.gz KRKPUXMPVGLSHX-UHFFFAOYSA-N 2 1 364.493 3.226 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCCCCn2ccnc2)CCC1 ZINC000576201386 506100165 /nfs/dbraw/zinc/10/01/65/506100165.db2.gz GICOGPGDSAKEMY-UHFFFAOYSA-N 2 1 369.513 3.017 20 0 FGADMP CC[NH2+]CC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000581944397 506096262 /nfs/dbraw/zinc/09/62/62/506096262.db2.gz PFHADXMUMNAQQL-QGZVFWFLSA-N 2 1 370.324 3.420 20 0 FGADMP Cc1ccnc(-c2noc(CN[C@@H](C)[C@@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000295057906 498894154 /nfs/dbraw/zinc/89/41/54/498894154.db2.gz VDUMNOKWJBVAOM-JKSUJKDBSA-N 2 1 355.486 3.183 20 0 FGADMP CCOc1cccc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000363661539 498930889 /nfs/dbraw/zinc/93/08/89/498930889.db2.gz KIBJURXVWMIMTE-UHFFFAOYSA-N 3 1 359.558 3.371 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000295215053 498945583 /nfs/dbraw/zinc/94/55/83/498945583.db2.gz AXVHANWJOHJDJY-UHFFFAOYSA-N 2 1 372.326 3.096 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000576271964 506117926 /nfs/dbraw/zinc/11/79/26/506117926.db2.gz MYWKKUDTVFXHAP-HIFRSBDPSA-N 2 1 361.313 3.055 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000570222859 506118411 /nfs/dbraw/zinc/11/84/11/506118411.db2.gz JEWGRUFTISPERG-IUPXNIOVSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582052538 506122503 /nfs/dbraw/zinc/12/25/03/506122503.db2.gz FRFDKCROXSHOSY-TYPHKJRUSA-N 2 1 372.557 3.058 20 0 FGADMP CC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000363779541 498988018 /nfs/dbraw/zinc/98/80/18/498988018.db2.gz AMXCPFUYDZDNHM-FQEVSTJZSA-N 2 1 355.530 3.111 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCC(C)CC2)c2ccc(F)cc2C1 ZINC000363811392 499005597 /nfs/dbraw/zinc/00/55/97/499005597.db2.gz CQLODYIKNFSURL-OAQYLSRUSA-N 2 1 361.505 3.331 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC000582079067 506127996 /nfs/dbraw/zinc/12/79/96/506127996.db2.gz QMCYTQKRKHQQJG-GOSISDBHSA-N 2 1 363.933 3.468 20 0 FGADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000366730495 499052143 /nfs/dbraw/zinc/05/21/43/499052143.db2.gz OXVFWDBWJPERTC-LSDHHAIUSA-N 2 1 357.454 3.191 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329167506 499061305 /nfs/dbraw/zinc/06/13/05/499061305.db2.gz IOQMTMNVILJLNN-UHFFFAOYSA-N 2 1 366.509 3.491 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)C1 ZINC000291902653 499097005 /nfs/dbraw/zinc/09/70/05/499097005.db2.gz KDOADNIZHRYSQC-KRWDZBQOSA-N 2 1 359.514 3.078 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000576328713 506131875 /nfs/dbraw/zinc/13/18/75/506131875.db2.gz CTZNHRGHTSGRCR-YJBOKZPZSA-N 2 1 358.511 3.411 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488987 499134005 /nfs/dbraw/zinc/13/40/05/499134005.db2.gz CJFQGZQOMFICKK-UNMCSNQZSA-N 2 1 355.526 3.067 20 0 FGADMP CC(C)[NH+]1CCC(Nc2ccc(C(=O)N(C)[C@H]3CCC[N@@H+](C)C3)cc2)CC1 ZINC000367040393 499138429 /nfs/dbraw/zinc/13/84/29/499138429.db2.gz IZJXIAGGZMCZPC-NRFANRHFSA-N 2 1 372.557 3.138 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000367072740 499144186 /nfs/dbraw/zinc/14/41/86/499144186.db2.gz HIJCFSWGCXTOMU-LEWJYISDSA-N 2 1 366.509 3.192 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000367072740 499144189 /nfs/dbraw/zinc/14/41/89/499144189.db2.gz HIJCFSWGCXTOMU-LEWJYISDSA-N 2 1 366.509 3.192 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000367118012 499151360 /nfs/dbraw/zinc/15/13/60/499151360.db2.gz WNTSSPZNOYJPQK-UHFFFAOYSA-N 2 1 370.545 3.404 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000367118012 499151362 /nfs/dbraw/zinc/15/13/62/499151362.db2.gz WNTSSPZNOYJPQK-UHFFFAOYSA-N 2 1 370.545 3.404 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000370153169 499188668 /nfs/dbraw/zinc/18/86/68/499188668.db2.gz XZVLRJMJFRBBBS-PMACEKPBSA-N 2 1 360.546 3.367 20 0 FGADMP Cn1cc([C@@H]2[C@@H](CN[C@H](c3ncc[nH]3)C3CCCCC3)CCC[N@H+]2C)cn1 ZINC000367617059 499218185 /nfs/dbraw/zinc/21/81/85/499218185.db2.gz PRMUQJJITLZAPI-HOJAQTOUSA-N 2 1 370.545 3.437 20 0 FGADMP COc1c(Br)cccc1CNCc1ccnc(-n2ccnc2)c1 ZINC000370421594 499219556 /nfs/dbraw/zinc/21/95/56/499219556.db2.gz OUHMOIWVYZVVJF-UHFFFAOYSA-N 2 1 373.254 3.328 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000370608399 499235420 /nfs/dbraw/zinc/23/54/20/499235420.db2.gz LJEPSQGAGFUQEI-PNJWGLBASA-N 2 1 371.569 3.303 20 0 FGADMP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000370619677 499236069 /nfs/dbraw/zinc/23/60/69/499236069.db2.gz DOUCQTWVCBOTAD-CJNGLKHVSA-N 2 1 361.477 3.357 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1cccs1 ZINC000370619677 499236070 /nfs/dbraw/zinc/23/60/70/499236070.db2.gz DOUCQTWVCBOTAD-CJNGLKHVSA-N 2 1 361.477 3.357 20 0 FGADMP C[N@H+](CC(=O)Nc1cc(F)ccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883307 499241424 /nfs/dbraw/zinc/24/14/24/499241424.db2.gz BLHPPYQFRZHZQX-UHFFFAOYSA-N 2 1 374.435 3.147 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026071 499256699 /nfs/dbraw/zinc/25/66/99/499256699.db2.gz ZVLZFUIPBGNNQK-JJCGOBCMSA-N 2 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026071 499256700 /nfs/dbraw/zinc/25/67/00/499256700.db2.gz ZVLZFUIPBGNNQK-JJCGOBCMSA-N 3 1 368.525 3.425 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000368026071 499256701 /nfs/dbraw/zinc/25/67/01/499256701.db2.gz ZVLZFUIPBGNNQK-JJCGOBCMSA-N 3 1 368.525 3.425 20 0 FGADMP C[C@H]1C[C@H](CNCc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368030775 499257125 /nfs/dbraw/zinc/25/71/25/499257125.db2.gz PMBAHCALPDGMLE-DOTOQJQBSA-N 2 1 373.522 3.189 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@H](c4nccn4C)C3)o2)cc1 ZINC000570320082 506141406 /nfs/dbraw/zinc/14/14/06/506141406.db2.gz YNOUCHFJEJLTRW-KRWDZBQOSA-N 2 1 365.433 3.456 20 0 FGADMP Cn1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(C(C)(C)C)n1 ZINC000368303637 499283496 /nfs/dbraw/zinc/28/34/96/499283496.db2.gz POJVUUXBTYKDPS-UHFFFAOYSA-N 2 1 355.530 3.461 20 0 FGADMP CCCCS[C@@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371091858 499287782 /nfs/dbraw/zinc/28/77/82/499287782.db2.gz XMCCIZKOLDNFIQ-KRWDZBQOSA-N 2 1 369.619 3.221 20 0 FGADMP c1ccc2sc(N3CCC([NH2+][C@H]4CC[N@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110531 499289326 /nfs/dbraw/zinc/28/93/26/499289326.db2.gz ZITYZYAJJKQHGJ-DLBZAZTESA-N 2 1 356.539 3.482 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)cc2)n1 ZINC000371291879 499306456 /nfs/dbraw/zinc/30/64/56/499306456.db2.gz ADWJNWRLBPFBPF-BHIFYINESA-N 2 1 368.525 3.173 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1SC ZINC000371296170 499306875 /nfs/dbraw/zinc/30/68/75/499306875.db2.gz XKJUPTQEQVECTN-YESZJQIVSA-N 2 1 350.528 3.101 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1SC ZINC000371296170 499306877 /nfs/dbraw/zinc/30/68/77/499306877.db2.gz XKJUPTQEQVECTN-YESZJQIVSA-N 2 1 350.528 3.101 20 0 FGADMP O=C(NC[C@H](NCc1ccccc1)c1ccco1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368648161 499317106 /nfs/dbraw/zinc/31/71/06/499317106.db2.gz RHUMCVOCDNHSAH-ROUUACIJSA-N 2 1 364.449 3.001 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470434 499330998 /nfs/dbraw/zinc/33/09/98/499330998.db2.gz LKRQXBQHSUVBSQ-QRVBRYPASA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1cccc(Cl)c1 ZINC000371470434 499331000 /nfs/dbraw/zinc/33/10/00/499331000.db2.gz LKRQXBQHSUVBSQ-QRVBRYPASA-N 2 1 374.916 3.414 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@H]1c1ccccc1 ZINC000371521043 499337461 /nfs/dbraw/zinc/33/74/61/499337461.db2.gz YQAAHMBOZOGACJ-NFBKMPQASA-N 2 1 364.537 3.329 20 0 FGADMP CCCc1occc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000369049457 499360639 /nfs/dbraw/zinc/36/06/39/499360639.db2.gz VLFGWROBDGEGAM-UHFFFAOYSA-N 2 1 361.530 3.158 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000372256619 499414223 /nfs/dbraw/zinc/41/42/23/499414223.db2.gz VCPXZHVMQHWNEA-UHFFFAOYSA-N 2 1 366.307 3.268 20 0 FGADMP CCC[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000372354817 499424385 /nfs/dbraw/zinc/42/43/85/499424385.db2.gz FWKUWLJGVZDHHT-FQEVSTJZSA-N 2 1 351.579 3.371 20 0 FGADMP [NH3+]Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)co1 ZINC000372436271 499434578 /nfs/dbraw/zinc/43/45/78/499434578.db2.gz IBTBKVRQXXVXFN-PMACEKPBSA-N 2 1 353.466 3.008 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CC1 ZINC000378217996 499491172 /nfs/dbraw/zinc/49/11/72/499491172.db2.gz PIXCBMQWDLRSID-IBGZPJMESA-N 2 1 372.557 3.091 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1Cl ZINC000375294976 499503735 /nfs/dbraw/zinc/50/37/35/499503735.db2.gz XXHJGFQISUWMCZ-YQYZPQCESA-N 2 1 367.921 3.284 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1Cl ZINC000375294976 499503736 /nfs/dbraw/zinc/50/37/36/499503736.db2.gz XXHJGFQISUWMCZ-YQYZPQCESA-N 2 1 367.921 3.284 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1Cl ZINC000375294973 499504022 /nfs/dbraw/zinc/50/40/22/499504022.db2.gz XXHJGFQISUWMCZ-CXHZTBPHSA-N 2 1 367.921 3.284 20 0 FGADMP COc1ncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)cc1Cl ZINC000375294973 499504023 /nfs/dbraw/zinc/50/40/23/499504023.db2.gz XXHJGFQISUWMCZ-CXHZTBPHSA-N 2 1 367.921 3.284 20 0 FGADMP CCCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000378375231 499508851 /nfs/dbraw/zinc/50/88/51/499508851.db2.gz XTSYVMAOMUKPEA-CMKODMSKSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1OC ZINC000378375231 499508853 /nfs/dbraw/zinc/50/88/53/499508853.db2.gz XTSYVMAOMUKPEA-CMKODMSKSA-N 2 1 362.514 3.168 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425929 499515707 /nfs/dbraw/zinc/51/57/07/499515707.db2.gz GTGVSYCSXUZYIJ-QAPCUYQASA-N 2 1 367.484 3.449 20 0 FGADMP CC(C)[NH+]1CCN(CCC[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000375445725 499519836 /nfs/dbraw/zinc/51/98/36/499519836.db2.gz AYICSKMRBVPZRS-DHIUTWEWSA-N 3 1 372.601 3.075 20 0 FGADMP CC(C)[NH+]1CCN(CCC[NH2+]C[C@H]2CCCN(C)[C@@H]2c2ccccc2)CC1 ZINC000375445725 499519838 /nfs/dbraw/zinc/51/98/38/499519838.db2.gz AYICSKMRBVPZRS-DHIUTWEWSA-N 2 1 372.601 3.075 20 0 FGADMP CN(Cc1cccs1)C(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375457926 499521477 /nfs/dbraw/zinc/52/14/77/499521477.db2.gz WTGHDBNIHBANHK-WIYYLYMNSA-N 2 1 371.550 3.379 20 0 FGADMP CN(Cc1cccs1)C(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375457926 499521479 /nfs/dbraw/zinc/52/14/79/499521479.db2.gz WTGHDBNIHBANHK-WIYYLYMNSA-N 2 1 371.550 3.379 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378534238 499529285 /nfs/dbraw/zinc/52/92/85/499529285.db2.gz CCHSGXNTZZFMQX-GOSISDBHSA-N 2 1 354.494 3.060 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000382721999 499546273 /nfs/dbraw/zinc/54/62/73/499546273.db2.gz NWWDWHFVMMFCJB-WIYYLYMNSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383805257 499547188 /nfs/dbraw/zinc/54/71/88/499547188.db2.gz ZSDOBLPGCQDBHJ-HLAWJBBLSA-N 2 1 363.505 3.468 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740233 499550478 /nfs/dbraw/zinc/55/04/78/499550478.db2.gz FDHFDYHZRHAOBL-LQTBCPLBSA-N 2 1 350.453 3.457 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000375894660 499565885 /nfs/dbraw/zinc/56/58/85/499565885.db2.gz GAQOJDDBFPOWRD-WOGUSJMUSA-N 2 1 352.482 3.134 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccc(=O)[nH]n1 ZINC000375894660 499565886 /nfs/dbraw/zinc/56/58/86/499565886.db2.gz GAQOJDDBFPOWRD-WOGUSJMUSA-N 2 1 352.482 3.134 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000398058012 499566215 /nfs/dbraw/zinc/56/62/15/499566215.db2.gz LSSNWVPQLIDJLZ-UIFIKXQLSA-N 2 1 351.494 3.246 20 0 FGADMP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163286 499587900 /nfs/dbraw/zinc/58/79/00/499587900.db2.gz AUUNSHCMRKVLQM-PKOBYXMFSA-N 2 1 372.557 3.293 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163286 499587902 /nfs/dbraw/zinc/58/79/02/499587902.db2.gz AUUNSHCMRKVLQM-PKOBYXMFSA-N 2 1 372.557 3.293 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000376610239 499622979 /nfs/dbraw/zinc/62/29/79/499622979.db2.gz LZCQOWSEBSOPND-UHFFFAOYSA-N 2 1 373.545 3.016 20 0 FGADMP CN(C(=O)NC1CC[NH+](C2CCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376704650 499630455 /nfs/dbraw/zinc/63/04/55/499630455.db2.gz BLHGTMLMFFFRHS-YOFSQIOKSA-N 2 1 362.562 3.050 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000376854114 499640910 /nfs/dbraw/zinc/64/09/10/499640910.db2.gz GWXSYMFPDRKONK-ZWKOTPCHSA-N 2 1 362.518 3.385 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000410345271 499656312 /nfs/dbraw/zinc/65/63/12/499656312.db2.gz PNTPAZBOLOAZDO-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)CCCO2 ZINC000377559461 499704500 /nfs/dbraw/zinc/70/45/00/499704500.db2.gz DEKSTJKEHAESDC-IBGZPJMESA-N 2 1 355.482 3.334 20 0 FGADMP COc1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377618189 499711097 /nfs/dbraw/zinc/71/10/97/499711097.db2.gz BRHOKMZDTDAEAF-AVRDEDQJSA-N 2 1 357.542 3.032 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c2ccccc12 ZINC000377629465 499713223 /nfs/dbraw/zinc/71/32/23/499713223.db2.gz RTPKCYMMEKHESB-IBGZPJMESA-N 2 1 367.537 3.308 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377633302 499713636 /nfs/dbraw/zinc/71/36/36/499713636.db2.gz WYZHAQBHXMDURP-QGZVFWFLSA-N 2 1 362.587 3.260 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000377633302 499713638 /nfs/dbraw/zinc/71/36/38/499713638.db2.gz WYZHAQBHXMDURP-QGZVFWFLSA-N 2 1 362.587 3.260 20 0 FGADMP Brc1ccc(-c2c[nH]c(C[NH2+][C@@H]3CCc4[nH]cnc4C3)n2)cc1 ZINC000377770297 499731297 /nfs/dbraw/zinc/73/12/97/499731297.db2.gz BYRSBSPUJDVUEV-CYBMUJFWSA-N 2 1 372.270 3.209 20 0 FGADMP C[C@H]1CCCN(c2cc(NC[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)ncn2)C1 ZINC000377989102 499753848 /nfs/dbraw/zinc/75/38/48/499753848.db2.gz OCYPUYIQJNXSFA-MDKPJZGXSA-N 2 1 366.513 3.213 20 0 FGADMP Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000414128436 499762944 /nfs/dbraw/zinc/76/29/44/499762944.db2.gz RZAWVNUSZXVOGI-KSEOMHKRSA-N 2 1 352.526 3.243 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131691 499763243 /nfs/dbraw/zinc/76/32/43/499763243.db2.gz YGICHIJOAVWFAQ-AVRDEDQJSA-N 2 1 354.494 3.291 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000414131691 499763244 /nfs/dbraw/zinc/76/32/44/499763244.db2.gz YGICHIJOAVWFAQ-AVRDEDQJSA-N 2 1 354.494 3.291 20 0 FGADMP c1cncc(COc2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000570396365 506158695 /nfs/dbraw/zinc/15/86/95/506158695.db2.gz JIZWEYVYVXWCBY-LEWJYISDSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1nccnc1N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411679542 499776920 /nfs/dbraw/zinc/77/69/20/499776920.db2.gz VQRNFYMURNWVAW-UHFFFAOYSA-N 2 1 365.525 3.093 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414677138 499819892 /nfs/dbraw/zinc/81/98/92/499819892.db2.gz ONIVOMAZJKUWSG-QWHCGFSZSA-N 2 1 358.313 3.184 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCCC[C@@H]2/C=C\c2ccccc2)C1 ZINC000414715281 499822193 /nfs/dbraw/zinc/82/21/93/499822193.db2.gz WINLPDHVKFMZFG-YVERFSONSA-N 2 1 355.526 3.142 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)s1 ZINC000414744470 499825785 /nfs/dbraw/zinc/82/57/85/499825785.db2.gz WDLODDXWNKJYAB-MRXNPFEDSA-N 2 1 350.919 3.005 20 0 FGADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771719 499828951 /nfs/dbraw/zinc/82/89/51/499828951.db2.gz AHJROZYAJRHHOK-WMLDXEAASA-N 2 1 356.432 3.496 20 0 FGADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771718 499829103 /nfs/dbraw/zinc/82/91/03/499829103.db2.gz AHJROZYAJRHHOK-RHSMWYFYSA-N 2 1 356.432 3.496 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@H]21 ZINC000412188520 499832069 /nfs/dbraw/zinc/83/20/69/499832069.db2.gz BUWCHJMACUUAER-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP COc1ccc(OCc2nc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cs2)cc1 ZINC000414801903 499832820 /nfs/dbraw/zinc/83/28/20/499832820.db2.gz MJEMHGZNYXLWTC-KSSFIOAISA-N 2 1 361.511 3.338 20 0 FGADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414817521 499834466 /nfs/dbraw/zinc/83/44/66/499834466.db2.gz AUHJUJWCSIIWSO-RHSMWYFYSA-N 2 1 366.431 3.428 20 0 FGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842275 499836780 /nfs/dbraw/zinc/83/67/80/499836780.db2.gz OFHBPYIPMFHNFX-OCCSQVGLSA-N 2 1 361.408 3.265 20 0 FGADMP Fc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1Br ZINC000414879645 499840692 /nfs/dbraw/zinc/84/06/92/499840692.db2.gz PMGORNWGMSKEJD-UHFFFAOYSA-N 2 1 352.251 3.253 20 0 FGADMP COC[C@]1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCC[NH2+]1 ZINC000414952862 499848303 /nfs/dbraw/zinc/84/83/03/499848303.db2.gz ISKYRPCBDPAYTE-OAQYLSRUSA-N 2 1 360.448 3.455 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000414960914 499849291 /nfs/dbraw/zinc/84/92/91/499849291.db2.gz AURREDGJUPUWAJ-MRXNPFEDSA-N 2 1 363.303 3.113 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414993449 499852502 /nfs/dbraw/zinc/85/25/02/499852502.db2.gz CIWDXYXEEJKLSC-JQWIXIFHSA-N 2 1 365.237 3.354 20 0 FGADMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccc(Cl)cc1 ZINC000415030404 499856098 /nfs/dbraw/zinc/85/60/98/499856098.db2.gz DWAIIWYCTROIDX-YRWFTTLQSA-N 2 1 358.869 3.235 20 0 FGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c(OC)c1OC ZINC000415081373 499861702 /nfs/dbraw/zinc/86/17/02/499861702.db2.gz KJZUVRVNGMWXFX-RBUKOAKNSA-N 2 1 370.493 3.338 20 0 FGADMP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415089739 499862343 /nfs/dbraw/zinc/86/23/43/499862343.db2.gz WRTWJFCTWDMLOE-FGZHOGPDSA-N 2 1 363.505 3.392 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000415112540 499865067 /nfs/dbraw/zinc/86/50/67/499865067.db2.gz SJVKUELMJKOWEG-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000415112547 499865168 /nfs/dbraw/zinc/86/51/68/499865168.db2.gz SJVKUELMJKOWEG-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000415116608 499865629 /nfs/dbraw/zinc/86/56/29/499865629.db2.gz BRKFZIXOBXFARS-RDJZCZTQSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000415116369 499865639 /nfs/dbraw/zinc/86/56/39/499865639.db2.gz XXCOSRQNFGWJAP-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+]C1(CNCc2cnc(C3CCC3)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000415131736 499868031 /nfs/dbraw/zinc/86/80/31/499868031.db2.gz JVABRKYYLKGFEQ-UHFFFAOYSA-N 2 1 370.566 3.494 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH2+]C[C@@H]3c3ccccc3)sc2C1 ZINC000415131932 499868139 /nfs/dbraw/zinc/86/81/39/499868139.db2.gz STOPQKFGXSUTAA-GOSISDBHSA-N 2 1 356.539 3.056 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000415898601 499925852 /nfs/dbraw/zinc/92/58/52/499925852.db2.gz HVULSCBINFYNCK-UHFFFAOYSA-N 2 1 353.470 3.031 20 0 FGADMP CC[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)[N@H+]1CCc2ccccc2C1 ZINC000415907061 499926812 /nfs/dbraw/zinc/92/68/12/499926812.db2.gz ZLQOLQZLWPMGSF-FQEVSTJZSA-N 2 1 366.509 3.364 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415909380 499927210 /nfs/dbraw/zinc/92/72/10/499927210.db2.gz FWSSYRGZDKTJTJ-LJQANCHMSA-N 2 1 352.482 3.144 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415910072 499927444 /nfs/dbraw/zinc/92/74/44/499927444.db2.gz AVNFCQBLWZYJSI-UTKZUKDTSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415913636 499927694 /nfs/dbraw/zinc/92/76/94/499927694.db2.gz QBTSJRDWLQCZNT-VQIMIIECSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415914030 499927867 /nfs/dbraw/zinc/92/78/67/499927867.db2.gz UBTKEYWRHSUKQO-YLJYHZDGSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000415946136 499931756 /nfs/dbraw/zinc/93/17/56/499931756.db2.gz SSQNOPIOOZKDAT-QGZVFWFLSA-N 2 1 354.498 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000415953844 499933121 /nfs/dbraw/zinc/93/31/21/499933121.db2.gz LHWFOGUHGMFYLE-UHFFFAOYSA-N 2 1 358.461 3.189 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415973115 499935871 /nfs/dbraw/zinc/93/58/71/499935871.db2.gz NTGVLCNOJDDPFC-OXJNMPFZSA-N 2 1 352.482 3.191 20 0 FGADMP CN(C(=O)Nc1ccc(C[NH3+])cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415980238 499936937 /nfs/dbraw/zinc/93/69/37/499936937.db2.gz SDBNIXYTUBCUFF-HXUWFJFHSA-N 2 1 352.482 3.274 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000415984170 499937398 /nfs/dbraw/zinc/93/73/98/499937398.db2.gz OYCCYUJDRGJDKT-UZLBHIALSA-N 2 1 352.482 3.191 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996912 499939159 /nfs/dbraw/zinc/93/91/59/499939159.db2.gz OGTPGOGZDGUQIE-QGZVFWFLSA-N 2 1 364.493 3.418 20 0 FGADMP C[NH+](C)CCc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc1 ZINC000416151800 499960486 /nfs/dbraw/zinc/96/04/86/499960486.db2.gz SKMZLWOMZPYBPK-UHFFFAOYSA-N 2 1 351.494 3.178 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982865 499972954 /nfs/dbraw/zinc/97/29/54/499972954.db2.gz OPYVYBOUEFQKCA-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982865 499972957 /nfs/dbraw/zinc/97/29/57/499972957.db2.gz OPYVYBOUEFQKCA-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428982865 499972959 /nfs/dbraw/zinc/97/29/59/499972959.db2.gz OPYVYBOUEFQKCA-AZUAARDMSA-N 2 1 360.546 3.071 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214410 499983203 /nfs/dbraw/zinc/98/32/03/499983203.db2.gz BLAINYMJMCLCGC-UNMCSNQZSA-N 2 1 365.521 3.318 20 0 FGADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214407 499983848 /nfs/dbraw/zinc/98/38/48/499983848.db2.gz BLAINYMJMCLCGC-IFMALSPDSA-N 2 1 365.521 3.318 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)CCC2)c1 ZINC000429044346 499993613 /nfs/dbraw/zinc/99/36/13/499993613.db2.gz UGLAEWDHZFXKRJ-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)CCC2)c1 ZINC000429044346 499993616 /nfs/dbraw/zinc/99/36/16/499993616.db2.gz UGLAEWDHZFXKRJ-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)CCC2)c1 ZINC000429044346 499993620 /nfs/dbraw/zinc/99/36/20/499993620.db2.gz UGLAEWDHZFXKRJ-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417217515 500008055 /nfs/dbraw/zinc/00/80/55/500008055.db2.gz DKFDXLBEEPSRLG-CSODHUTKSA-N 2 1 366.509 3.341 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417256444 500020536 /nfs/dbraw/zinc/02/05/36/500020536.db2.gz SDSOELNZQCFGQQ-RMJJICAUSA-N 2 1 360.546 3.132 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000421372983 500029803 /nfs/dbraw/zinc/02/98/03/500029803.db2.gz LRDFWLRTCCLFPY-LJQANCHMSA-N 2 1 359.558 3.291 20 0 FGADMP CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429266583 500037684 /nfs/dbraw/zinc/03/76/84/500037684.db2.gz JDQGDJWQPIVCFG-JOCHJYFZSA-N 2 1 353.510 3.422 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286686 500042917 /nfs/dbraw/zinc/04/29/17/500042917.db2.gz KFEBPNRCRBMNIL-NVXWUHKLSA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286686 500042918 /nfs/dbraw/zinc/04/29/18/500042918.db2.gz KFEBPNRCRBMNIL-NVXWUHKLSA-N 2 1 367.331 3.117 20 0 FGADMP COc1cc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2cc1Br ZINC000425249608 500055916 /nfs/dbraw/zinc/05/59/16/500055916.db2.gz BLUMQURIPVMEBN-UHFFFAOYSA-N 2 1 362.271 3.290 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)C2(O)CCOCC2)cc1 ZINC000417388842 500057823 /nfs/dbraw/zinc/05/78/23/500057823.db2.gz WLFMQSYKKOBSMY-INIZCTEOSA-N 2 1 357.498 3.399 20 0 FGADMP C[NH+](CC[C@@H]1CCCO1)Cc1cncc(C[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000579435872 506173387 /nfs/dbraw/zinc/17/33/87/506173387.db2.gz KWBLWHMEGYEWST-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[NH+](CC[C@H]1CCCO1)Cc1cncc(C[N@H+](C)CC[C@@H]2CCCO2)c1 ZINC000579435872 506173388 /nfs/dbraw/zinc/17/33/88/506173388.db2.gz KWBLWHMEGYEWST-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[NH+](CC[C@H]1CCCO1)Cc1cncc(C[N@@H+](C)CC[C@@H]2CCCO2)c1 ZINC000579435872 506173392 /nfs/dbraw/zinc/17/33/92/506173392.db2.gz KWBLWHMEGYEWST-OYRHEFFESA-N 2 1 361.530 3.083 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)c2sccc2C[NH+](C)C)c(F)c1 ZINC000413905138 500091484 /nfs/dbraw/zinc/09/14/84/500091484.db2.gz VWEFBTUUPDACKE-UHFFFAOYSA-N 2 1 365.474 3.142 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000425391580 500093193 /nfs/dbraw/zinc/09/31/93/500093193.db2.gz DRNCVDMWRFZMPZ-LJQANCHMSA-N 2 1 355.482 3.022 20 0 FGADMP COC(=O)[C@H](CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419342 500100543 /nfs/dbraw/zinc/10/05/43/500100543.db2.gz KYVIHJKOFCHZOX-HMXCVIKNSA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419342 500100545 /nfs/dbraw/zinc/10/05/45/500100545.db2.gz KYVIHJKOFCHZOX-HMXCVIKNSA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419342 500100550 /nfs/dbraw/zinc/10/05/50/500100550.db2.gz KYVIHJKOFCHZOX-HMXCVIKNSA-N 2 1 356.510 3.282 20 0 FGADMP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000413959257 500108141 /nfs/dbraw/zinc/10/81/41/500108141.db2.gz SHVUFIIGLQDNEV-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000413959257 500108145 /nfs/dbraw/zinc/10/81/45/500108145.db2.gz SHVUFIIGLQDNEV-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458628 500112103 /nfs/dbraw/zinc/11/21/03/500112103.db2.gz MQSLAZIDBVFOTG-IBGZPJMESA-N 2 1 358.530 3.019 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785224 500144902 /nfs/dbraw/zinc/14/49/02/500144902.db2.gz LLCYZXOAQFBAPO-LMNJBCLMSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785224 500144903 /nfs/dbraw/zinc/14/49/03/500144903.db2.gz LLCYZXOAQFBAPO-LMNJBCLMSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000429785224 500144909 /nfs/dbraw/zinc/14/49/09/500144909.db2.gz LLCYZXOAQFBAPO-LMNJBCLMSA-N 2 1 362.558 3.386 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1Cl ZINC000582289480 506178606 /nfs/dbraw/zinc/17/86/06/506178606.db2.gz KXZPTLLCATZVEO-GOSISDBHSA-N 2 1 358.873 3.368 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417740016 500160784 /nfs/dbraw/zinc/16/07/84/500160784.db2.gz RGSXMZCQAMAYBA-LJQANCHMSA-N 2 1 357.502 3.094 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000421874841 500167449 /nfs/dbraw/zinc/16/74/49/500167449.db2.gz IPGRFTHKCTYBQH-BURNTYAHSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000416968896 500169407 /nfs/dbraw/zinc/16/94/07/500169407.db2.gz BADPLZOGYSNKPW-QZTJIDSGSA-N 2 1 372.557 3.330 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000416978466 500173392 /nfs/dbraw/zinc/17/33/92/500173392.db2.gz RJJWSCBUZHFYQD-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)Cc1ccc(F)cc1 ZINC000417826453 500180045 /nfs/dbraw/zinc/18/00/45/500180045.db2.gz OISGXCVDAVNARR-FQEVSTJZSA-N 2 1 372.488 3.037 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1 ZINC000417850295 500183814 /nfs/dbraw/zinc/18/38/14/500183814.db2.gz DWQLXQHCBLHFKX-DOXZYTNZSA-N 2 1 355.486 3.153 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000417854004 500184199 /nfs/dbraw/zinc/18/41/99/500184199.db2.gz JGEFVVRVEVBEJV-INIZCTEOSA-N 2 1 369.513 3.273 20 0 FGADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417859737 500185946 /nfs/dbraw/zinc/18/59/46/500185946.db2.gz SNZZBSZXCDYALR-DNVCBOLYSA-N 2 1 355.486 3.025 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2=CC[NH2+]CC2)c1 ZINC000417876104 500189345 /nfs/dbraw/zinc/18/93/45/500189345.db2.gz MTNMCZFPCUXCEY-UHFFFAOYSA-N 2 1 358.530 3.028 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000417874414 500189406 /nfs/dbraw/zinc/18/94/06/500189406.db2.gz KDYHKPABIZCBKW-PXNSSMCTSA-N 2 1 360.546 3.235 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000422004622 500195721 /nfs/dbraw/zinc/19/57/21/500195721.db2.gz GZYVRDHUXBBXID-KKXNLOMOSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417932028 500199859 /nfs/dbraw/zinc/19/98/59/500199859.db2.gz WKYCTSXIYRBYBB-BVOGOJNSSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417978804 500208170 /nfs/dbraw/zinc/20/81/70/500208170.db2.gz DJMKGMYKGOJEGP-AFAVFJNCSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417978804 500208171 /nfs/dbraw/zinc/20/81/71/500208171.db2.gz DJMKGMYKGOJEGP-AFAVFJNCSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417984008 500209308 /nfs/dbraw/zinc/20/93/08/500209308.db2.gz CCFIKUODZPJMSJ-IOMROCGXSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417998100 500211878 /nfs/dbraw/zinc/21/18/78/500211878.db2.gz HYORHPIJCMOAFL-HZPDHXFCSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417998100 500211880 /nfs/dbraw/zinc/21/18/80/500211880.db2.gz HYORHPIJCMOAFL-HZPDHXFCSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418008616 500213785 /nfs/dbraw/zinc/21/37/85/500213785.db2.gz RLJXGGBABNBWBB-HZPDHXFCSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418008616 500213786 /nfs/dbraw/zinc/21/37/86/500213786.db2.gz RLJXGGBABNBWBB-HZPDHXFCSA-N 2 1 370.900 3.039 20 0 FGADMP O[C@H](C[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000425950877 500215421 /nfs/dbraw/zinc/21/54/21/500215421.db2.gz BDZPWJDITBUGKV-UXHICEINSA-N 2 1 359.901 3.065 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000418037024 500218275 /nfs/dbraw/zinc/21/82/75/500218275.db2.gz QOBXKJVXSBXNAL-OAQYLSRUSA-N 2 1 374.573 3.174 20 0 FGADMP COc1ccccc1CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998206 500223741 /nfs/dbraw/zinc/22/37/41/500223741.db2.gz GTNYCMXCCDPVLK-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP COc1ccccc1CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425998206 500223743 /nfs/dbraw/zinc/22/37/43/500223743.db2.gz GTNYCMXCCDPVLK-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP COc1ccccc1CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425998206 500223746 /nfs/dbraw/zinc/22/37/46/500223746.db2.gz GTNYCMXCCDPVLK-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP COc1ccccc1CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425998206 500223749 /nfs/dbraw/zinc/22/37/49/500223749.db2.gz GTNYCMXCCDPVLK-HSZRJFAPSA-N 2 1 368.521 3.197 20 0 FGADMP O=C(NCC[NH2+]C1CCCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418099641 500229576 /nfs/dbraw/zinc/22/95/76/500229576.db2.gz CGPWBSUJIZTHLH-FQEVSTJZSA-N 2 1 372.557 3.120 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418105973 500230429 /nfs/dbraw/zinc/23/04/29/500230429.db2.gz MHMLHOULZMCWSR-FXAWDEMLSA-N 2 1 366.509 3.028 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418153811 500238069 /nfs/dbraw/zinc/23/80/69/500238069.db2.gz JGQHCTYEAZPXEG-UFYCRDLUSA-N 2 1 372.557 3.104 20 0 FGADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)N[C@@H]1CCCc2ccccc21 ZINC000430556765 500253629 /nfs/dbraw/zinc/25/36/29/500253629.db2.gz VBDGOKLBKAMWTC-OAQYLSRUSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574793 500256654 /nfs/dbraw/zinc/25/66/54/500256654.db2.gz UFCTXQCYEGVNBT-OCCSQVGLSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Cl)cc(Cl)c2)C1 ZINC000430574793 500256656 /nfs/dbraw/zinc/25/66/56/500256656.db2.gz UFCTXQCYEGVNBT-OCCSQVGLSA-N 2 1 358.313 3.011 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418311196 500260631 /nfs/dbraw/zinc/26/06/31/500260631.db2.gz LMRCANDHKNZKRF-KOUHRCEDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000430601407 500260838 /nfs/dbraw/zinc/26/08/38/500260838.db2.gz TZWUSUISPVSBRL-DJPFJPOOSA-N 2 1 371.550 3.403 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418421751 500274241 /nfs/dbraw/zinc/27/42/41/500274241.db2.gz CUUDNFGYPYFEDH-WIYYLYMNSA-N 2 1 372.557 3.373 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418427863 500275374 /nfs/dbraw/zinc/27/53/74/500275374.db2.gz OHENAQLYYLGELV-QHAWAJNXSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418443572 500277213 /nfs/dbraw/zinc/27/72/13/500277213.db2.gz APNQOKMMMHPWTH-QZTJIDSGSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418443572 500277216 /nfs/dbraw/zinc/27/72/16/500277216.db2.gz APNQOKMMMHPWTH-QZTJIDSGSA-N 2 1 366.509 3.122 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000422707518 500288002 /nfs/dbraw/zinc/28/80/02/500288002.db2.gz AGQHYBXSFIAMJO-FSSWDIPSSA-N 2 1 353.510 3.430 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721866 500290168 /nfs/dbraw/zinc/29/01/68/500290168.db2.gz WFDBEUMCWQOURP-KAOXLYBCSA-N 3 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721866 500290169 /nfs/dbraw/zinc/29/01/69/500290169.db2.gz WFDBEUMCWQOURP-KAOXLYBCSA-N 2 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721866 500290171 /nfs/dbraw/zinc/29/01/71/500290171.db2.gz WFDBEUMCWQOURP-KAOXLYBCSA-N 2 1 355.570 3.451 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792104 500298484 /nfs/dbraw/zinc/29/84/84/500298484.db2.gz WYZUZRPKHIFNOZ-BLLLJJGKSA-N 2 1 353.297 3.348 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@H]([NH3+])c2ccccc2CC)C1 ZINC000418643132 500300048 /nfs/dbraw/zinc/30/00/48/500300048.db2.gz BEQALWAUVALZOU-HKUYNNGSSA-N 2 1 369.513 3.054 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]3CCCCN3)CC2)c1 ZINC000422812481 500301498 /nfs/dbraw/zinc/30/14/98/500301498.db2.gz QKYINDBXCGCPME-UNMCSNQZSA-N 2 1 358.574 3.017 20 0 FGADMP FC(F)Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422815170 500302170 /nfs/dbraw/zinc/30/21/70/500302170.db2.gz XDGNQBSWEUKANJ-SOUVJXGZSA-N 2 1 360.832 3.188 20 0 FGADMP N[C@H]1CCCCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817993 500302209 /nfs/dbraw/zinc/30/22/09/500302209.db2.gz JBMWALVUYQLAEJ-VXKWHMMOSA-N 2 1 359.558 3.307 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422831668 500303056 /nfs/dbraw/zinc/30/30/56/500303056.db2.gz XBSNSVIBDBTABB-QHAWAJNXSA-N 2 1 374.525 3.263 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422852787 500305800 /nfs/dbraw/zinc/30/58/00/500305800.db2.gz BHVSGWWIFCXLHI-LNLFQRSKSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886521 500310971 /nfs/dbraw/zinc/31/09/71/500310971.db2.gz WTMVVDQJORUJQY-KAGYGMCKSA-N 3 1 357.542 3.344 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418716477 500311745 /nfs/dbraw/zinc/31/17/45/500311745.db2.gz ZCRWSJUWVTZYFY-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CN(C)[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892876 500311794 /nfs/dbraw/zinc/31/17/94/500311794.db2.gz NZWFDQWLUXIRRP-VWPQPMDRSA-N 2 1 357.542 3.342 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422895620 500312496 /nfs/dbraw/zinc/31/24/96/500312496.db2.gz WJPBAXPNNCMMOU-NJDAHSKKSA-N 2 1 359.558 3.418 20 0 FGADMP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@@H](C)[NH3+])CC3)cs2)cc1 ZINC000430965903 500314266 /nfs/dbraw/zinc/31/42/66/500314266.db2.gz LVNABRZQACGAIZ-OAHLLOKOSA-N 2 1 372.538 3.192 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CCC(C[NH3+])CC3)CC2)cs1 ZINC000422913613 500316486 /nfs/dbraw/zinc/31/64/86/500316486.db2.gz QLYSCOYELIZOKD-UHFFFAOYSA-N 3 1 350.576 3.025 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000418750128 500317824 /nfs/dbraw/zinc/31/78/24/500317824.db2.gz NNZRQVQOLIBXMN-GIVPXCGWSA-N 2 1 372.557 3.213 20 0 FGADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc(OC2CCCCC2)n1 ZINC000422971152 500325634 /nfs/dbraw/zinc/32/56/34/500325634.db2.gz IACVTYHDAVOZQI-AQNXPRMDSA-N 2 1 359.514 3.040 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422988642 500327604 /nfs/dbraw/zinc/32/76/04/500327604.db2.gz JPDOUFZPWSATSD-QWHCGFSZSA-N 2 1 353.388 3.015 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422988396 500327861 /nfs/dbraw/zinc/32/78/61/500327861.db2.gz IYOPZFOQBVIIMD-XJKSGUPXSA-N 2 1 353.388 3.027 20 0 FGADMP C[C@@H]([NH2+]CCCOc1ncc(C(F)(F)F)cc1Cl)[C@H]1CCC[NH2+]1 ZINC000423013718 500331197 /nfs/dbraw/zinc/33/11/97/500331197.db2.gz NKBIIZYDSLGFHR-ZWNOBZJWSA-N 2 1 351.800 3.253 20 0 FGADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025136 500332662 /nfs/dbraw/zinc/33/26/62/500332662.db2.gz KTJMEJQFMIKPSM-JMUQELJHSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025136 500332663 /nfs/dbraw/zinc/33/26/63/500332663.db2.gz KTJMEJQFMIKPSM-JMUQELJHSA-N 2 1 365.521 3.352 20 0 FGADMP CCC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431096116 500335360 /nfs/dbraw/zinc/33/53/60/500335360.db2.gz IJWWNKWVTAAKCB-UHFFFAOYSA-N 2 1 372.340 3.416 20 0 FGADMP CCC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C1CC[NH2+]CC1 ZINC000431096116 500335361 /nfs/dbraw/zinc/33/53/61/500335361.db2.gz IJWWNKWVTAAKCB-UHFFFAOYSA-N 2 1 372.340 3.416 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050215 500335623 /nfs/dbraw/zinc/33/56/23/500335623.db2.gz YKRXFWOMJDSXPX-ABSDTBQOSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050215 500335626 /nfs/dbraw/zinc/33/56/26/500335626.db2.gz YKRXFWOMJDSXPX-ABSDTBQOSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050215 500335628 /nfs/dbraw/zinc/33/56/28/500335628.db2.gz YKRXFWOMJDSXPX-ABSDTBQOSA-N 2 1 352.526 3.410 20 0 FGADMP Brc1ccc(Br)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000423052239 500335765 /nfs/dbraw/zinc/33/57/65/500335765.db2.gz PHEPGPSZZTWNLW-GFCCVEGCSA-N 2 1 362.109 3.443 20 0 FGADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051240 500335864 /nfs/dbraw/zinc/33/58/64/500335864.db2.gz MSYGQTWXISXGHZ-TVQRCGJNSA-N 2 1 362.109 3.429 20 0 FGADMP c1ccc(COCCC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423053656 500336295 /nfs/dbraw/zinc/33/62/95/500336295.db2.gz SEEWAAODZIETBH-NJYVYQBISA-N 2 1 358.526 3.120 20 0 FGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423161488 500349916 /nfs/dbraw/zinc/34/99/16/500349916.db2.gz RZRRKDWKCVTXDO-CRAIPNDOSA-N 2 1 363.383 3.446 20 0 FGADMP C[C@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@H]1CCCC[NH2+]1 ZINC000423158741 500350101 /nfs/dbraw/zinc/35/01/01/500350101.db2.gz XDYNSIKSKMGUNH-DHSIGJKJSA-N 2 1 360.452 3.263 20 0 FGADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423181395 500352833 /nfs/dbraw/zinc/35/28/33/500352833.db2.gz CKMASUHUENTHLN-UWJYYQICSA-N 2 1 357.473 3.458 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H](C)[C@H]1C ZINC000419378549 500359461 /nfs/dbraw/zinc/35/94/61/500359461.db2.gz VUNAFDSGINCCRM-NCXUSEDFSA-N 2 1 357.542 3.132 20 0 FGADMP C[C@H](C[NH3+])C[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423302938 500362706 /nfs/dbraw/zinc/36/27/06/500362706.db2.gz ICKKKJUKKJKERH-FZKQIMNGSA-N 2 1 366.914 3.017 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314766 500363577 /nfs/dbraw/zinc/36/35/77/500363577.db2.gz HRRHUIKZNRWAQX-FOIQADDNSA-N 2 1 350.466 3.301 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000423362379 500367293 /nfs/dbraw/zinc/36/72/93/500367293.db2.gz SXHZLCOEDJCDKC-MJGOQNOKSA-N 2 1 351.494 3.001 20 0 FGADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(C(=O)N(C)C)cc1 ZINC000423528012 500382369 /nfs/dbraw/zinc/38/23/69/500382369.db2.gz NHYWPVSBZUHYGE-SAFAPUATSA-N 2 1 355.526 3.193 20 0 FGADMP C[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(OCC[NH+](C)C)c1 ZINC000423529641 500383324 /nfs/dbraw/zinc/38/33/24/500383324.db2.gz QEKCWMINWKDTQD-NKZGEROYSA-N 3 1 371.569 3.431 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562460 500392199 /nfs/dbraw/zinc/39/21/99/500392199.db2.gz WYQDFRZATFVNCN-WOJBJXKFSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423769511 500400363 /nfs/dbraw/zinc/40/03/63/500400363.db2.gz CJXZIJUDZSPSBZ-QMMLZNLJSA-N 2 1 365.521 3.349 20 0 FGADMP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000427598042 500410229 /nfs/dbraw/zinc/41/02/29/500410229.db2.gz AUMSTUHIVSQCAA-UWJYYQICSA-N 2 1 351.494 3.046 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731667 500416551 /nfs/dbraw/zinc/41/65/51/500416551.db2.gz JIYKHFXOKXJRLK-WOJBJXKFSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423892534 500416729 /nfs/dbraw/zinc/41/67/29/500416729.db2.gz CBGFGNIWOPQCEJ-XBZUYWNMSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911266 500418672 /nfs/dbraw/zinc/41/86/72/500418672.db2.gz VJSVMIJIACYPIQ-JAXLGGSGSA-N 2 1 355.526 3.032 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000427689895 500421344 /nfs/dbraw/zinc/42/13/44/500421344.db2.gz RFTTZVMCWSLNLX-DOTOQJQBSA-N 2 1 371.447 3.304 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000431776569 500423547 /nfs/dbraw/zinc/42/35/47/500423547.db2.gz QZZALDXAVBXIMT-JOCHJYFZSA-N 2 1 371.569 3.418 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000431776569 500423548 /nfs/dbraw/zinc/42/35/48/500423548.db2.gz QZZALDXAVBXIMT-JOCHJYFZSA-N 2 1 371.569 3.418 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000431776569 500423550 /nfs/dbraw/zinc/42/35/50/500423550.db2.gz QZZALDXAVBXIMT-JOCHJYFZSA-N 2 1 371.569 3.418 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H](CC[NH3+])C3)c2c1C ZINC000420249741 500429087 /nfs/dbraw/zinc/42/90/87/500429087.db2.gz YPZSXKUUODGBSQ-INIZCTEOSA-N 2 1 373.570 3.469 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000431845526 500433167 /nfs/dbraw/zinc/43/31/67/500433167.db2.gz OVGRWIWGKYZVMO-QMMLZNLJSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845526 500433169 /nfs/dbraw/zinc/43/31/69/500433169.db2.gz OVGRWIWGKYZVMO-QMMLZNLJSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000431845526 500433172 /nfs/dbraw/zinc/43/31/72/500433172.db2.gz OVGRWIWGKYZVMO-QMMLZNLJSA-N 2 1 359.558 3.259 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420295021 500435704 /nfs/dbraw/zinc/43/57/04/500435704.db2.gz BUBDXPDCJUEEHC-UTKZUKDTSA-N 2 1 351.494 3.034 20 0 FGADMP C[N@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC(C)(C)C[NH3+] ZINC000420295048 500435730 /nfs/dbraw/zinc/43/57/30/500435730.db2.gz UOJZJNWKICYVCM-UHFFFAOYSA-N 2 1 363.303 3.323 20 0 FGADMP C[N@@H+](Cc1ccnc(-c2ccc(Br)cc2)n1)CC(C)(C)C[NH3+] ZINC000420295048 500435731 /nfs/dbraw/zinc/43/57/31/500435731.db2.gz UOJZJNWKICYVCM-UHFFFAOYSA-N 2 1 363.303 3.323 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1 ZINC000420312755 500439384 /nfs/dbraw/zinc/43/93/84/500439384.db2.gz OVRMFLGHALPRJQ-BLLLJJGKSA-N 2 1 356.297 3.160 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CCC2)c1 ZINC000420314229 500439828 /nfs/dbraw/zinc/43/98/28/500439828.db2.gz VJLJOMZQQMSJFZ-SESVDKBCSA-N 2 1 358.526 3.441 20 0 FGADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420319975 500440509 /nfs/dbraw/zinc/44/05/09/500440509.db2.gz PUEKPSJIGNHHDJ-PMACEKPBSA-N 2 1 359.539 3.307 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330587 500442761 /nfs/dbraw/zinc/44/27/61/500442761.db2.gz QEZQHISFTCOWAA-JTDSTZFVSA-N 2 1 361.917 3.157 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420337869 500443854 /nfs/dbraw/zinc/44/38/54/500443854.db2.gz KFOCBANVGPWZKX-DBVUQKKJSA-N 2 1 357.542 3.460 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(CC[NH2+]3)CC2)c1 ZINC000424050853 500444076 /nfs/dbraw/zinc/44/40/76/500444076.db2.gz GGGJESGOLVYUAT-UHFFFAOYSA-N 2 1 363.505 3.287 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420337948 500444174 /nfs/dbraw/zinc/44/41/74/500444174.db2.gz XLOPQOAHUQJNPL-UKRRQHHQSA-N 2 1 358.404 3.334 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420336138 500444296 /nfs/dbraw/zinc/44/42/96/500444296.db2.gz IOAWDZRWGBSNLX-LRDDRELGSA-N 2 1 353.869 3.270 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346935 500446089 /nfs/dbraw/zinc/44/60/89/500446089.db2.gz ZMPMSLODWYFDEN-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420359098 500447120 /nfs/dbraw/zinc/44/71/20/500447120.db2.gz FVCSPBGEROKFLX-HMFYCAOWSA-N 2 1 365.521 3.258 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1)C(C)C ZINC000424086519 500450711 /nfs/dbraw/zinc/45/07/11/500450711.db2.gz ZHNGIJASGABCGK-FQEVSTJZSA-N 2 1 351.494 3.447 20 0 FGADMP O=C(c1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411104 500457325 /nfs/dbraw/zinc/45/73/25/500457325.db2.gz YEVFKWUAPSRXOX-RTWAWAEBSA-N 2 1 355.526 3.277 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411104 500457328 /nfs/dbraw/zinc/45/73/28/500457328.db2.gz YEVFKWUAPSRXOX-RTWAWAEBSA-N 2 1 355.526 3.277 20 0 FGADMP O=C(c1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411105 500457503 /nfs/dbraw/zinc/45/75/03/500457503.db2.gz YEVFKWUAPSRXOX-SFTDATJTSA-N 2 1 355.526 3.277 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411105 500457504 /nfs/dbraw/zinc/45/75/04/500457504.db2.gz YEVFKWUAPSRXOX-SFTDATJTSA-N 2 1 355.526 3.277 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)cc1)C1CC1 ZINC000424248050 500475021 /nfs/dbraw/zinc/47/50/21/500475021.db2.gz WYOURSWSKLSYBJ-QGZVFWFLSA-N 2 1 355.526 3.275 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285184 500480979 /nfs/dbraw/zinc/48/09/79/500480979.db2.gz FLWDPFWLQIBFJT-CQSZACIVSA-N 2 1 369.431 3.498 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cc3c(c(Br)c1)OCO3)CC[NH2+]CC2 ZINC000424292908 500482607 /nfs/dbraw/zinc/48/26/07/500482607.db2.gz ORZBXMARVZDHQP-LBPRGKRZSA-N 2 1 367.287 3.142 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CC[C@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298987 500483099 /nfs/dbraw/zinc/48/30/99/500483099.db2.gz VENKZJICLSBITB-IRXDYDNUSA-N 2 1 373.566 3.368 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(C(=O)N3CCCCC3)c1)CC[NH2+]CC2 ZINC000424298226 500483473 /nfs/dbraw/zinc/48/34/73/500483473.db2.gz UEHCIJAUUGKISK-GOSISDBHSA-N 2 1 355.526 3.277 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)c(I)c1 ZINC000424370917 500493198 /nfs/dbraw/zinc/49/31/98/500493198.db2.gz FCKZTCWUSWLVKO-OWYVNGRQSA-N 2 1 362.230 3.351 20 0 FGADMP COc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000432353237 500503624 /nfs/dbraw/zinc/50/36/24/500503624.db2.gz JGOISCRXRXKUKH-AWEZNQCLSA-N 2 1 371.319 3.048 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432364354 500505733 /nfs/dbraw/zinc/50/57/33/500505733.db2.gz HVHKXCLIAHNSFR-MRXNPFEDSA-N 2 1 374.504 3.219 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432364354 500505736 /nfs/dbraw/zinc/50/57/36/500505736.db2.gz HVHKXCLIAHNSFR-MRXNPFEDSA-N 2 1 374.504 3.219 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000432369524 500505975 /nfs/dbraw/zinc/50/59/75/500505975.db2.gz WDECULXNQHKKSW-ZDUSSCGKSA-N 2 1 361.349 3.410 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)sc1Br ZINC000432369524 500505978 /nfs/dbraw/zinc/50/59/78/500505978.db2.gz WDECULXNQHKKSW-ZDUSSCGKSA-N 2 1 361.349 3.410 20 0 FGADMP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000428462381 500513617 /nfs/dbraw/zinc/51/36/17/500513617.db2.gz SVDBSEJMRWDDMZ-SSGKUCQKSA-N 2 1 372.553 3.056 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1COc2ccccc21 ZINC000420912898 500528629 /nfs/dbraw/zinc/52/86/29/500528629.db2.gz AEYAOWADPKKBLP-LAUBAEHRSA-N 2 1 352.478 3.173 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000420913302 500528979 /nfs/dbraw/zinc/52/89/79/500528979.db2.gz IXSYSLKROPBEJE-QFIPXVFZSA-N 2 1 358.526 3.442 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000420913302 500528982 /nfs/dbraw/zinc/52/89/82/500528982.db2.gz IXSYSLKROPBEJE-QFIPXVFZSA-N 2 1 358.526 3.442 20 0 FGADMP OCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000420915941 500529467 /nfs/dbraw/zinc/52/94/67/500529467.db2.gz NGUNXRCKISKSMN-QHCPKHFHSA-N 2 1 366.505 3.001 20 0 FGADMP OCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCc2ccccc21 ZINC000420915941 500529470 /nfs/dbraw/zinc/52/94/70/500529470.db2.gz NGUNXRCKISKSMN-QHCPKHFHSA-N 2 1 366.505 3.001 20 0 FGADMP c1ccc([C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]2CCOC2)cc1 ZINC000420952528 500539457 /nfs/dbraw/zinc/53/94/57/500539457.db2.gz UKNMUWLSOCVVCT-DHIUTWEWSA-N 2 1 366.505 3.386 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000421028206 500558956 /nfs/dbraw/zinc/55/89/56/500558956.db2.gz WHEVKJGBBZHJBU-FQEVSTJZSA-N 2 1 357.542 3.244 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3ccc(F)cc3s2)C[C@H](C)O1 ZINC000428850508 500565749 /nfs/dbraw/zinc/56/57/49/500565749.db2.gz OCLDJHXICUXYBE-OKILXGFUSA-N 2 1 351.491 3.414 20 0 FGADMP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000428858933 500566907 /nfs/dbraw/zinc/56/69/07/500566907.db2.gz GRQJGSWAUROEMV-KDURUIRLSA-N 2 1 360.542 3.450 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000437092058 500601429 /nfs/dbraw/zinc/60/14/29/500601429.db2.gz YPHWWENMHOCMFY-ZVDOUQERSA-N 2 1 359.558 3.022 20 0 FGADMP CCc1ccc([C@@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433048636 500613686 /nfs/dbraw/zinc/61/36/86/500613686.db2.gz XVOWFZPYECZDIW-HXUWFJFHSA-N 2 1 357.542 3.027 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000447532028 500618600 /nfs/dbraw/zinc/61/86/00/500618600.db2.gz UIFTXHHYZHQSED-FQEVSTJZSA-N 2 1 358.482 3.404 20 0 FGADMP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000433128010 500631652 /nfs/dbraw/zinc/63/16/52/500631652.db2.gz VHRXVPSOXIFYIA-QGZVFWFLSA-N 2 1 371.447 3.017 20 0 FGADMP COC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(C(F)(F)F)c1 ZINC000442876088 500637721 /nfs/dbraw/zinc/63/77/21/500637721.db2.gz QIZNDSPBYHBTHX-QGZVFWFLSA-N 2 1 373.463 3.009 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C1 ZINC000442920386 500647215 /nfs/dbraw/zinc/64/72/15/500647215.db2.gz LFHGFDDGQUJHFY-CQSZACIVSA-N 2 1 363.303 3.196 20 0 FGADMP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[N@H+](C)Cc3ccccc3)cccc21 ZINC000447723080 500653188 /nfs/dbraw/zinc/65/31/88/500653188.db2.gz MUYFLGLTZRYHRZ-LJQANCHMSA-N 2 1 353.466 3.142 20 0 FGADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1Br ZINC000447935555 500692484 /nfs/dbraw/zinc/69/24/84/500692484.db2.gz HXKWEEPZCUWSDV-ZDUSSCGKSA-N 2 1 357.340 3.235 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000433564525 500713142 /nfs/dbraw/zinc/71/31/42/500713142.db2.gz PXPGBGNGQXIQSN-RTWAWAEBSA-N 2 1 370.541 3.140 20 0 FGADMP COCC[N@H+](C)CCCNc1cc[nH+]c2c(Br)cccc12 ZINC000443435269 500724249 /nfs/dbraw/zinc/72/42/49/500724249.db2.gz ZDUKYADBIOKZGH-UHFFFAOYSA-N 2 1 352.276 3.378 20 0 FGADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2c(Br)cccc12 ZINC000443435269 500724250 /nfs/dbraw/zinc/72/42/50/500724250.db2.gz ZDUKYADBIOKZGH-UHFFFAOYSA-N 2 1 352.276 3.378 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000437994912 500726277 /nfs/dbraw/zinc/72/62/77/500726277.db2.gz CTTGASZMHAHIMO-FXAWDEMLSA-N 2 1 369.513 3.059 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000437994912 500726278 /nfs/dbraw/zinc/72/62/78/500726278.db2.gz CTTGASZMHAHIMO-FXAWDEMLSA-N 2 1 369.513 3.059 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664870 506219012 /nfs/dbraw/zinc/21/90/12/506219012.db2.gz LJPKKGIINCOKLR-WOIUINJBSA-N 2 1 371.569 3.271 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000434445436 500844186 /nfs/dbraw/zinc/84/41/86/500844186.db2.gz OESCNDLBYMBEJB-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000434445436 500844187 /nfs/dbraw/zinc/84/41/87/500844187.db2.gz OESCNDLBYMBEJB-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000434445436 500844189 /nfs/dbraw/zinc/84/41/89/500844189.db2.gz OESCNDLBYMBEJB-PZJWPPBQSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCCC23CCC3)CC1 ZINC000444779782 500898332 /nfs/dbraw/zinc/89/83/32/500898332.db2.gz LQXHIXHLDPOIDY-UHFFFAOYSA-N 2 1 355.526 3.048 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCCC23CCC3)CC1 ZINC000444779782 500898335 /nfs/dbraw/zinc/89/83/35/500898335.db2.gz LQXHIXHLDPOIDY-UHFFFAOYSA-N 2 1 355.526 3.048 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCCC23CCC3)CC1 ZINC000444779782 500898337 /nfs/dbraw/zinc/89/83/37/500898337.db2.gz LQXHIXHLDPOIDY-UHFFFAOYSA-N 2 1 355.526 3.048 20 0 FGADMP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc2ccccc21 ZINC000449022863 500901079 /nfs/dbraw/zinc/90/10/79/500901079.db2.gz LEPJCWCNAHGIPS-NRFANRHFSA-N 2 1 367.537 3.450 20 0 FGADMP COc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc2ccccc21 ZINC000449022863 500901080 /nfs/dbraw/zinc/90/10/80/500901080.db2.gz LEPJCWCNAHGIPS-NRFANRHFSA-N 2 1 367.537 3.450 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449047543 500910909 /nfs/dbraw/zinc/91/09/09/500910909.db2.gz QXDZAERUHHJIHD-RBUKOAKNSA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449047543 500910910 /nfs/dbraw/zinc/91/09/10/500910910.db2.gz QXDZAERUHHJIHD-RBUKOAKNSA-N 2 1 359.514 3.330 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc2ccccc21 ZINC000449155342 500936760 /nfs/dbraw/zinc/93/67/60/500936760.db2.gz BFGNPHGJYSSQTO-QGZVFWFLSA-N 2 1 354.494 3.439 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439965193 500960865 /nfs/dbraw/zinc/96/08/65/500960865.db2.gz ZUDYZLIZKOXDSW-RTWAWAEBSA-N 2 1 355.526 3.174 20 0 FGADMP CCO[C@@H]1C[C@@](CO)([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449267440 500962008 /nfs/dbraw/zinc/96/20/08/500962008.db2.gz ZJWXLXMSOUITJF-ZEYPLWLESA-N 2 1 374.569 3.238 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435376741 500963127 /nfs/dbraw/zinc/96/31/27/500963127.db2.gz UJFLWPHYUQKOTA-RRFJBIMHSA-N 2 1 358.404 3.196 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000435378884 500963621 /nfs/dbraw/zinc/96/36/21/500963621.db2.gz ABWOKUYHDWZEEY-ORYQWCPZSA-N 2 1 367.493 3.228 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000435380240 500963776 /nfs/dbraw/zinc/96/37/76/500963776.db2.gz QFYTXNDEBADGJJ-VDGAXYAQSA-N 2 1 368.525 3.483 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435387842 500965794 /nfs/dbraw/zinc/96/57/94/500965794.db2.gz CNFDXSDOUJXDOJ-QGZVFWFLSA-N 2 1 356.466 3.063 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435387842 500965795 /nfs/dbraw/zinc/96/57/95/500965795.db2.gz CNFDXSDOUJXDOJ-QGZVFWFLSA-N 2 1 356.466 3.063 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435387666 500965880 /nfs/dbraw/zinc/96/58/80/500965880.db2.gz AYEUMGCDEYNJDG-JRGCBEDISA-N 2 1 359.477 3.103 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000449291857 500968846 /nfs/dbraw/zinc/96/88/46/500968846.db2.gz OCRXBWSOGUIBBL-QGZVFWFLSA-N 2 1 366.509 3.225 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330231 500979262 /nfs/dbraw/zinc/97/92/62/500979262.db2.gz KOCGIISGWVWGQM-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(I)cc1 ZINC000449330231 500979266 /nfs/dbraw/zinc/97/92/66/500979266.db2.gz KOCGIISGWVWGQM-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(I)cc1 ZINC000449330231 500979268 /nfs/dbraw/zinc/97/92/68/500979268.db2.gz KOCGIISGWVWGQM-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(I)cc1 ZINC000449330231 500979269 /nfs/dbraw/zinc/97/92/69/500979269.db2.gz KOCGIISGWVWGQM-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449416408 500998677 /nfs/dbraw/zinc/99/86/77/500998677.db2.gz TYOJFLJASIYWAX-RTWAWAEBSA-N 2 1 358.526 3.405 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCCC1 ZINC000435690068 501012693 /nfs/dbraw/zinc/01/26/93/501012693.db2.gz BBMGZHOOYZIJTP-GOSISDBHSA-N 2 1 361.555 3.141 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NC1CCCCC1 ZINC000435690068 501012697 /nfs/dbraw/zinc/01/26/97/501012697.db2.gz BBMGZHOOYZIJTP-GOSISDBHSA-N 2 1 361.555 3.141 20 0 FGADMP Cc1cccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435693683 501013325 /nfs/dbraw/zinc/01/33/25/501013325.db2.gz JVRLYXSACXKCAB-GOSISDBHSA-N 2 1 357.523 3.475 20 0 FGADMP Cc1cccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435693683 501013328 /nfs/dbraw/zinc/01/33/28/501013328.db2.gz JVRLYXSACXKCAB-GOSISDBHSA-N 2 1 357.523 3.475 20 0 FGADMP CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)C ZINC000449511518 501022058 /nfs/dbraw/zinc/02/20/58/501022058.db2.gz NNBSRDBKNDEPNU-KXBFYZLASA-N 2 1 353.576 3.288 20 0 FGADMP CC(C)[C@H](CO)[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)C(C)C ZINC000449511518 501022059 /nfs/dbraw/zinc/02/20/59/501022059.db2.gz NNBSRDBKNDEPNU-KXBFYZLASA-N 2 1 353.576 3.288 20 0 FGADMP COCC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(C(F)(F)F)c1 ZINC000449559060 501033816 /nfs/dbraw/zinc/03/38/16/501033816.db2.gz XQTMNJUEGSLCDD-GOSISDBHSA-N 2 1 374.447 3.483 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445846264 501040257 /nfs/dbraw/zinc/04/02/57/501040257.db2.gz GHBVIGFSOUMDTL-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2CN(CC(F)(F)F)C[C@H]2c2ccccc2)CC1 ZINC000449758075 501077432 /nfs/dbraw/zinc/07/74/32/501077432.db2.gz UTJCUEOXZIGSFW-ZWKOTPCHSA-N 2 1 355.448 3.091 20 0 FGADMP Cn1ccnc1[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449772263 501082695 /nfs/dbraw/zinc/08/26/95/501082695.db2.gz KSOHLMFRTFPGRH-WOJBJXKFSA-N 2 1 370.541 3.388 20 0 FGADMP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449835395 501101589 /nfs/dbraw/zinc/10/15/89/501101589.db2.gz PMAQEJLLIYCIEA-FQEVSTJZSA-N 2 1 373.541 3.040 20 0 FGADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450422680 501118295 /nfs/dbraw/zinc/11/82/95/501118295.db2.gz VPEQNDIKYFYMQK-KRWDZBQOSA-N 2 1 352.526 3.402 20 0 FGADMP CCc1ccc2[nH+]ccc(N3CC[N@H+](C4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000450422680 501118299 /nfs/dbraw/zinc/11/82/99/501118299.db2.gz VPEQNDIKYFYMQK-KRWDZBQOSA-N 2 1 352.526 3.402 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(C(F)(F)F)ccc2Cl)CC1(C)C ZINC000441386782 501131301 /nfs/dbraw/zinc/13/13/01/501131301.db2.gz VCBUBSNXHTWWPR-UHFFFAOYSA-N 2 1 363.855 3.474 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392181 501132518 /nfs/dbraw/zinc/13/25/18/501132518.db2.gz IOVNDHKGRSWNIZ-IFXJQAMLSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392181 501132521 /nfs/dbraw/zinc/13/25/21/501132521.db2.gz IOVNDHKGRSWNIZ-IFXJQAMLSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392181 501132522 /nfs/dbraw/zinc/13/25/22/501132522.db2.gz IOVNDHKGRSWNIZ-IFXJQAMLSA-N 2 1 363.452 3.242 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1cc(F)cc(F)c1 ZINC000441392181 501132525 /nfs/dbraw/zinc/13/25/25/501132525.db2.gz IOVNDHKGRSWNIZ-IFXJQAMLSA-N 2 1 363.452 3.242 20 0 FGADMP CCc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000450542002 501149679 /nfs/dbraw/zinc/14/96/79/501149679.db2.gz GCCRXNUJJFRAMC-FQEVSTJZSA-N 2 1 365.521 3.407 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C2CCCC2)cc1 ZINC000446818268 501168032 /nfs/dbraw/zinc/16/80/32/501168032.db2.gz MURFKZOSXBINEK-RTWAWAEBSA-N 2 1 357.542 3.403 20 0 FGADMP c1c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)nnn1CC1CC1 ZINC000450652104 501177506 /nfs/dbraw/zinc/17/75/06/501177506.db2.gz TZJZUQKCSFAWFK-UHFFFAOYSA-N 2 1 365.525 3.176 20 0 FGADMP c1cn(CCc2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000450262412 501221883 /nfs/dbraw/zinc/22/18/83/501221883.db2.gz NGAXKGAECYDHPU-UHFFFAOYSA-N 2 1 352.526 3.434 20 0 FGADMP FC1(F)CC[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980831 501236513 /nfs/dbraw/zinc/23/65/13/501236513.db2.gz GSTODIWLSJWQMV-WOJBJXKFSA-N 2 1 363.496 3.314 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000582475147 506242854 /nfs/dbraw/zinc/24/28/54/506242854.db2.gz ILBUFERDQQYCNA-UHFFFAOYSA-N 2 1 357.542 3.014 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000582475147 506242859 /nfs/dbraw/zinc/24/28/59/506242859.db2.gz ILBUFERDQQYCNA-UHFFFAOYSA-N 2 1 357.542 3.014 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000582475147 506242867 /nfs/dbraw/zinc/24/28/67/506242867.db2.gz ILBUFERDQQYCNA-UHFFFAOYSA-N 2 1 357.542 3.014 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453067545 501261984 /nfs/dbraw/zinc/26/19/84/501261984.db2.gz WUTCOPCNUQAXCM-JOCHJYFZSA-N 2 1 371.525 3.016 20 0 FGADMP COCCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453077056 501263987 /nfs/dbraw/zinc/26/39/87/501263987.db2.gz VYYQYZNLCGTBRO-DNVJHFABSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453077056 501263989 /nfs/dbraw/zinc/26/39/89/501263989.db2.gz VYYQYZNLCGTBRO-DNVJHFABSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453077056 501263992 /nfs/dbraw/zinc/26/39/92/501263992.db2.gz VYYQYZNLCGTBRO-DNVJHFABSA-N 2 1 371.569 3.130 20 0 FGADMP CCC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCC1 ZINC000453108007 501271004 /nfs/dbraw/zinc/27/10/04/501271004.db2.gz JZKDOEKQBDLUQQ-LEWJYISDSA-N 2 1 357.542 3.442 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195344 501288521 /nfs/dbraw/zinc/28/85/21/501288521.db2.gz JNTMFTKKPMCOQG-DSKINZAPSA-N 2 1 366.505 3.499 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453234863 501295570 /nfs/dbraw/zinc/29/55/70/501295570.db2.gz XECXJBMXLVESJT-KSEOMHKRSA-N 2 1 350.510 3.360 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540902 501317461 /nfs/dbraw/zinc/31/74/61/501317461.db2.gz XVTSFAPSTTZVGI-MJGOQNOKSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540902 501317463 /nfs/dbraw/zinc/31/74/63/501317463.db2.gz XVTSFAPSTTZVGI-MJGOQNOKSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540902 501317465 /nfs/dbraw/zinc/31/74/65/501317465.db2.gz XVTSFAPSTTZVGI-MJGOQNOKSA-N 2 1 361.505 3.153 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453445320 501333422 /nfs/dbraw/zinc/33/34/22/501333422.db2.gz OLQZKOKTHBMDPS-QRFRQXIXSA-N 2 1 366.509 3.217 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453445320 501333425 /nfs/dbraw/zinc/33/34/25/501333425.db2.gz OLQZKOKTHBMDPS-QRFRQXIXSA-N 2 1 366.509 3.217 20 0 FGADMP C[C@@H]1CC=C(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000455901996 501410986 /nfs/dbraw/zinc/41/09/86/501410986.db2.gz PDYBXIUCRNBMQG-GOSISDBHSA-N 2 1 361.574 3.388 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000455949737 501424019 /nfs/dbraw/zinc/42/40/19/501424019.db2.gz YYNUGHKCIOZBIV-UZLBHIALSA-N 2 1 358.530 3.431 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000458535128 501468065 /nfs/dbraw/zinc/46/80/65/501468065.db2.gz PMBDCQMKXLJXOL-VQIMIIECSA-N 2 1 369.513 3.367 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)[NH2+][C@H](C)c1ccccc1 ZINC000458555122 501473288 /nfs/dbraw/zinc/47/32/88/501473288.db2.gz LZPFAAHULZYSNT-GFOJFJKKSA-N 2 1 372.557 3.097 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000611686672 506256210 /nfs/dbraw/zinc/25/62/10/506256210.db2.gz DRHOTBJQLMEKGL-SFHVURJKSA-N 2 1 368.953 3.172 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000458625456 501492533 /nfs/dbraw/zinc/49/25/33/501492533.db2.gz DYRWRWVZZQPRIU-IRXDYDNUSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454358540 501522015 /nfs/dbraw/zinc/52/20/15/501522015.db2.gz GRXINQMSPZZSHK-TZIWHRDSSA-N 2 1 372.557 3.387 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000459094131 501592777 /nfs/dbraw/zinc/59/27/77/501592777.db2.gz GQOMXOKORWRABM-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680696 501608226 /nfs/dbraw/zinc/60/82/26/501608226.db2.gz ZDSJNNLEZFRWKL-RTBURBONSA-N 2 1 374.573 3.126 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459317988 501629533 /nfs/dbraw/zinc/62/95/33/501629533.db2.gz QSXRZILWSSAUBP-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP COCc1cc(CN2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)no1 ZINC000459351743 501637329 /nfs/dbraw/zinc/63/73/29/501637329.db2.gz KATSHHSDZDAOPV-UHFFFAOYSA-N 2 1 355.482 3.309 20 0 FGADMP CC[N@@H+](CCNC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1)C(C)C ZINC000588304456 506265418 /nfs/dbraw/zinc/26/54/18/506265418.db2.gz VRRPBOCJLLIVFG-UHFFFAOYSA-N 2 1 368.953 3.144 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(Br)c1 ZINC000459426299 501651873 /nfs/dbraw/zinc/65/18/73/501651873.db2.gz NTUPSBZHDNUNBC-CYBMUJFWSA-N 2 1 353.304 3.433 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000459738328 501706613 /nfs/dbraw/zinc/70/66/13/501706613.db2.gz RQKKARYZFHSBRC-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000598994261 506268673 /nfs/dbraw/zinc/26/86/73/506268673.db2.gz HPIRWXGBKWDKGL-AWEZNQCLSA-N 2 1 358.267 3.113 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(OCc3ccccc3)C2)[C@@H](C)C1 ZINC000463572083 501764994 /nfs/dbraw/zinc/76/49/94/501764994.db2.gz XFFZWWUWNHZZGB-FTWXPCQCSA-N 2 1 360.542 3.461 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000467353860 501775827 /nfs/dbraw/zinc/77/58/27/501775827.db2.gz BDOGAUCHSSZOBQ-UARRHKHWSA-N 2 1 364.533 3.399 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300183 501782412 /nfs/dbraw/zinc/78/24/12/501782412.db2.gz XRSZIZZAUHZXBJ-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCCC1 ZINC000474300183 501782417 /nfs/dbraw/zinc/78/24/17/501782417.db2.gz XRSZIZZAUHZXBJ-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1I ZINC000467388542 501784294 /nfs/dbraw/zinc/78/42/94/501784294.db2.gz LWVXYWJAVGJSNH-JSGCOSHPSA-N 2 1 358.267 3.172 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378493 501808797 /nfs/dbraw/zinc/80/87/97/501808797.db2.gz CIHPSSLPOCSCEB-IRLDBZIGSA-N 2 1 355.526 3.228 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1c1ccccc1 ZINC000460400618 501814860 /nfs/dbraw/zinc/81/48/60/501814860.db2.gz LIZFGNZKULEANY-NQSCKRDGSA-N 2 1 351.494 3.099 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000460400780 501816019 /nfs/dbraw/zinc/81/60/19/501816019.db2.gz LUNVLXKXCOWLIH-KRWDZBQOSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1C[NH+](CCCCC[N@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470921801 501855794 /nfs/dbraw/zinc/85/57/94/501855794.db2.gz CRZRDYQMRZAGSM-JWWGGVBKSA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470921801 501855797 /nfs/dbraw/zinc/85/57/97/501855797.db2.gz CRZRDYQMRZAGSM-JWWGGVBKSA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@@H](C3CC3)O[C@@H](C)C2)C[C@@H](C2CC2)O1 ZINC000470921801 501855800 /nfs/dbraw/zinc/85/58/00/501855800.db2.gz CRZRDYQMRZAGSM-JWWGGVBKSA-N 2 1 350.547 3.155 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042040 501863993 /nfs/dbraw/zinc/86/39/93/501863993.db2.gz PJQLHGFVYKUPBO-UYAOXDASSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042040 501863994 /nfs/dbraw/zinc/86/39/94/501863994.db2.gz PJQLHGFVYKUPBO-UYAOXDASSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042040 501863995 /nfs/dbraw/zinc/86/39/95/501863995.db2.gz PJQLHGFVYKUPBO-UYAOXDASSA-N 2 1 362.558 3.388 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000478042040 501863996 /nfs/dbraw/zinc/86/39/96/501863996.db2.gz PJQLHGFVYKUPBO-UYAOXDASSA-N 2 1 362.558 3.388 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CC1 ZINC000464092330 501897425 /nfs/dbraw/zinc/89/74/25/501897425.db2.gz BAXOIDYZWHLCPK-UXHICEINSA-N 2 1 357.542 3.101 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(-c2ccccc2Cl)n1 ZINC000467999176 501925403 /nfs/dbraw/zinc/92/54/03/501925403.db2.gz XOGBXZNMHUPVFL-CQSZACIVSA-N 2 1 355.873 3.289 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000468018675 501931807 /nfs/dbraw/zinc/93/18/07/501931807.db2.gz ACBYEWGZGNPFRS-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP Cn1c2cc(Br)ccc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000485822633 501950822 /nfs/dbraw/zinc/95/08/22/501950822.db2.gz XHTCNFUSNIKLGT-UHFFFAOYSA-N 2 1 365.319 3.109 20 0 FGADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCCC1 ZINC000468152529 501974792 /nfs/dbraw/zinc/97/47/92/501974792.db2.gz JKQTXMBKMJPISO-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000482138569 501986558 /nfs/dbraw/zinc/98/65/58/501986558.db2.gz CLHSDNUQPWQXCZ-IMFGXOCKSA-N 2 1 363.521 3.321 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(C)nn1C ZINC000461098628 502012708 /nfs/dbraw/zinc/01/27/08/502012708.db2.gz PKWRGFIDJGNHJT-HLAWJBBLSA-N 2 1 368.525 3.127 20 0 FGADMP COc1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(C)nn1C ZINC000461098628 502012713 /nfs/dbraw/zinc/01/27/13/502012713.db2.gz PKWRGFIDJGNHJT-HLAWJBBLSA-N 2 1 368.525 3.127 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000471413646 502018406 /nfs/dbraw/zinc/01/84/06/502018406.db2.gz ZMNREKVECPQCHI-UHFFFAOYSA-N 2 1 357.542 3.063 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468416442 502053393 /nfs/dbraw/zinc/05/33/93/502053393.db2.gz ILFDQWPRKAHHRE-QYZOEREBSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000468430294 502056643 /nfs/dbraw/zinc/05/66/43/502056643.db2.gz SYUSKJOTAWIJSZ-QRVBRYPASA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000468430294 502056647 /nfs/dbraw/zinc/05/66/47/502056647.db2.gz SYUSKJOTAWIJSZ-QRVBRYPASA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475098628 502058196 /nfs/dbraw/zinc/05/81/96/502058196.db2.gz TZPNJRXJOSOZKB-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475098628 502058199 /nfs/dbraw/zinc/05/81/99/502058199.db2.gz TZPNJRXJOSOZKB-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475098628 502058201 /nfs/dbraw/zinc/05/82/01/502058201.db2.gz TZPNJRXJOSOZKB-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113241 502064207 /nfs/dbraw/zinc/06/42/07/502064207.db2.gz GBCLQSHWRBYMAO-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475113241 502064211 /nfs/dbraw/zinc/06/42/11/502064211.db2.gz GBCLQSHWRBYMAO-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475113241 502064213 /nfs/dbraw/zinc/06/42/13/502064213.db2.gz GBCLQSHWRBYMAO-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc12 ZINC000482560207 502111307 /nfs/dbraw/zinc/11/13/07/502111307.db2.gz ZTBWQZMULPMCNV-IAGOWNOFSA-N 2 1 369.509 3.086 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000461467447 502124506 /nfs/dbraw/zinc/12/45/06/502124506.db2.gz PFHZFRYSJQXRIZ-LJQANCHMSA-N 2 1 366.509 3.180 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000461467447 502124509 /nfs/dbraw/zinc/12/45/09/502124509.db2.gz PFHZFRYSJQXRIZ-LJQANCHMSA-N 2 1 366.509 3.180 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@@H](C)C1 ZINC000482620581 502128101 /nfs/dbraw/zinc/12/81/01/502128101.db2.gz UHVXGGCCMTVVBD-QFBILLFUSA-N 2 1 352.494 3.451 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@@H](C)C1 ZINC000482620581 502128107 /nfs/dbraw/zinc/12/81/07/502128107.db2.gz UHVXGGCCMTVVBD-QFBILLFUSA-N 2 1 352.494 3.451 20 0 FGADMP C[C@@H](C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1)[NH+]1CCCCCC1 ZINC000468716221 502157964 /nfs/dbraw/zinc/15/79/64/502157964.db2.gz UMAWGFZAOGDFTR-IBGZPJMESA-N 2 1 369.553 3.300 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000461714708 502177472 /nfs/dbraw/zinc/17/74/72/502177472.db2.gz JLFKHONCDSYBEW-GOSISDBHSA-N 2 1 360.546 3.119 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672256 502227373 /nfs/dbraw/zinc/22/73/73/502227373.db2.gz CBLRVOOXMKNPCK-WIYYLYMNSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672256 502227379 /nfs/dbraw/zinc/22/73/79/502227379.db2.gz CBLRVOOXMKNPCK-WIYYLYMNSA-N 2 1 367.468 3.280 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472195880 502266348 /nfs/dbraw/zinc/26/63/48/502266348.db2.gz VWJPWFLBMIUZNX-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727569 502268414 /nfs/dbraw/zinc/26/84/14/502268414.db2.gz FKYHVRFWHBNEAI-NZQKXSOJSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727569 502268416 /nfs/dbraw/zinc/26/84/16/502268416.db2.gz FKYHVRFWHBNEAI-NZQKXSOJSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727569 502268420 /nfs/dbraw/zinc/26/84/20/502268420.db2.gz FKYHVRFWHBNEAI-NZQKXSOJSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1 ZINC000462012474 502273162 /nfs/dbraw/zinc/27/31/62/502273162.db2.gz IIJWGFRVTFOOFX-MRXNPFEDSA-N 2 1 370.497 3.130 20 0 FGADMP C[NH+](C)[C@@]1(CNc2cc[nH+]c3ccc(Br)cc23)CCSC1 ZINC000479494553 502276544 /nfs/dbraw/zinc/27/65/44/502276544.db2.gz CKOXIWXWCUXXQQ-MRXNPFEDSA-N 2 1 366.328 3.268 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265430 502289667 /nfs/dbraw/zinc/28/96/67/502289667.db2.gz NNCQKYPNZFADMI-GJZGRUSLSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nc(-c3cccs3)no2)C1 ZINC000472265430 502289672 /nfs/dbraw/zinc/28/96/72/502289672.db2.gz NNCQKYPNZFADMI-GJZGRUSLSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267296 502291119 /nfs/dbraw/zinc/29/11/19/502291119.db2.gz DVLJDWBDSLQVBC-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267296 502291123 /nfs/dbraw/zinc/29/11/23/502291123.db2.gz DVLJDWBDSLQVBC-RBUKOAKNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282504 502298750 /nfs/dbraw/zinc/29/87/50/502298750.db2.gz XMTOVJSISCLOEC-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282504 502298755 /nfs/dbraw/zinc/29/87/55/502298755.db2.gz XMTOVJSISCLOEC-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000486910455 502300482 /nfs/dbraw/zinc/30/04/82/502300482.db2.gz HYKRGKUYFRIWFK-RXVVDRJESA-N 2 1 357.542 3.135 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000462115147 502311637 /nfs/dbraw/zinc/31/16/37/502311637.db2.gz DASLLTQQZXSXHE-RTWAWAEBSA-N 2 1 356.897 3.034 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115147 502311644 /nfs/dbraw/zinc/31/16/44/502311644.db2.gz DASLLTQQZXSXHE-RTWAWAEBSA-N 2 1 356.897 3.034 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465747427 502369162 /nfs/dbraw/zinc/36/91/62/502369162.db2.gz FNMFPTHAPVCNMN-CEXWTWQISA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465747427 502369165 /nfs/dbraw/zinc/36/91/65/502369165.db2.gz FNMFPTHAPVCNMN-CEXWTWQISA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465747427 502369167 /nfs/dbraw/zinc/36/91/67/502369167.db2.gz FNMFPTHAPVCNMN-CEXWTWQISA-N 2 1 366.594 3.259 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000465756192 502372399 /nfs/dbraw/zinc/37/23/99/502372399.db2.gz MOZODTOJJTYCKY-PXNSSMCTSA-N 2 1 369.513 3.106 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000465756192 502372401 /nfs/dbraw/zinc/37/24/01/502372401.db2.gz MOZODTOJJTYCKY-PXNSSMCTSA-N 2 1 369.513 3.106 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000472600101 502398272 /nfs/dbraw/zinc/39/82/72/502398272.db2.gz XKQWHIVLAIFJEV-UXHICEINSA-N 2 1 353.595 3.318 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000465910798 502424606 /nfs/dbraw/zinc/42/46/06/502424606.db2.gz ONOLGRUPURGMMJ-UYAOXDASSA-N 2 1 372.557 3.434 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000465929284 502430293 /nfs/dbraw/zinc/43/02/93/502430293.db2.gz DUZMLTSHIIKTIV-RXVVDRJESA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[NH+](C)C ZINC000483558510 502431661 /nfs/dbraw/zinc/43/16/61/502431661.db2.gz JIGPKKFTJBXAHI-QHAWAJNXSA-N 2 1 357.542 3.086 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483580850 502436111 /nfs/dbraw/zinc/43/61/11/502436111.db2.gz HYJDZQXELXHYAT-KIZRIRGWSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483580850 502436116 /nfs/dbraw/zinc/43/61/16/502436116.db2.gz HYJDZQXELXHYAT-KIZRIRGWSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483580850 502436125 /nfs/dbraw/zinc/43/61/25/502436125.db2.gz HYJDZQXELXHYAT-KIZRIRGWSA-N 2 1 369.553 3.372 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)C[C@H]1C ZINC000483682954 502462143 /nfs/dbraw/zinc/46/21/43/502462143.db2.gz LDBCEFXRVZMFJB-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000480095814 502470607 /nfs/dbraw/zinc/47/06/07/502470607.db2.gz SRAKINJDZCCVSM-UHFFFAOYSA-N 2 1 354.454 3.006 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000472982122 502490868 /nfs/dbraw/zinc/49/08/68/502490868.db2.gz ASYPZFMVXXDUAD-IBGZPJMESA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000582594246 506316595 /nfs/dbraw/zinc/31/65/95/506316595.db2.gz FIFRSQKSICRXIE-INIZCTEOSA-N 2 1 358.530 3.354 20 0 FGADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191337 502496536 /nfs/dbraw/zinc/49/65/36/502496536.db2.gz OHFPYUPCYSNKRQ-KBPBESRZSA-N 2 1 365.424 3.036 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)[NH+]1CCCC1 ZINC000476481373 502500821 /nfs/dbraw/zinc/50/08/21/502500821.db2.gz BODOURAOCDYODV-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480218228 502505794 /nfs/dbraw/zinc/50/57/94/502505794.db2.gz OMRPNQSFWLCOKS-HNNXBMFYSA-N 2 1 371.447 3.285 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000476533799 502515891 /nfs/dbraw/zinc/51/58/91/502515891.db2.gz KYAKMFNSBXKGOO-KRWDZBQOSA-N 2 1 367.578 3.083 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@H](C)C1 ZINC000480263885 502517504 /nfs/dbraw/zinc/51/75/04/502517504.db2.gz ZKKQAIVRQUVSEQ-DENIHFKCSA-N 2 1 370.541 3.158 20 0 FGADMP CCOc1c(Br)cc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000469833471 502561165 /nfs/dbraw/zinc/56/11/65/502561165.db2.gz ZEEBBFALZPBFNZ-UHFFFAOYSA-N 2 1 357.292 3.027 20 0 FGADMP CN(CC[N@@H+](C)CCc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000488124841 502635119 /nfs/dbraw/zinc/63/51/19/502635119.db2.gz LAWUKTKKLSJEPT-UHFFFAOYSA-N 2 1 358.357 3.494 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)cc1 ZINC000480725582 502653710 /nfs/dbraw/zinc/65/37/10/502653710.db2.gz YPNZTPULAKUQPO-CTNGQTDRSA-N 2 1 357.542 3.369 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000477034351 502654894 /nfs/dbraw/zinc/65/48/94/502654894.db2.gz OYVOLGKCENBOPC-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000477034351 502654900 /nfs/dbraw/zinc/65/49/00/502654900.db2.gz OYVOLGKCENBOPC-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034351 502654907 /nfs/dbraw/zinc/65/49/07/502654907.db2.gz OYVOLGKCENBOPC-OAQYLSRUSA-N 2 1 369.553 3.376 20 0 FGADMP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000480799558 502675073 /nfs/dbraw/zinc/67/50/73/502675073.db2.gz QLIZZPTYNNCVKL-OAQYLSRUSA-N 2 1 369.553 3.028 20 0 FGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000480799558 502675076 /nfs/dbraw/zinc/67/50/76/502675076.db2.gz QLIZZPTYNNCVKL-OAQYLSRUSA-N 2 1 369.553 3.028 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000484613979 502683206 /nfs/dbraw/zinc/68/32/06/502683206.db2.gz CEMQYOAQUMDBAQ-XMTFNYHQSA-N 2 1 364.534 3.128 20 0 FGADMP OC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000463078023 502686251 /nfs/dbraw/zinc/68/62/51/502686251.db2.gz NMDIXLXKKPVLQZ-NRFANRHFSA-N 2 1 370.512 3.273 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000582620054 506328547 /nfs/dbraw/zinc/32/85/47/506328547.db2.gz YZGINQQOHMKFEV-QGZVFWFLSA-N 2 1 358.530 3.396 20 0 FGADMP FC(F)(F)c1cncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000463101352 502695503 /nfs/dbraw/zinc/69/55/03/502695503.db2.gz GARGCCBNHUWZJO-UHFFFAOYSA-N 2 1 357.420 3.177 20 0 FGADMP CC[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000480920724 502705543 /nfs/dbraw/zinc/70/55/43/502705543.db2.gz KHXCHEYTWZDMRQ-NHCUHLMSSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000480920724 502705551 /nfs/dbraw/zinc/70/55/51/502705551.db2.gz KHXCHEYTWZDMRQ-NHCUHLMSSA-N 2 1 357.542 3.204 20 0 FGADMP CC[C@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000480920724 502705555 /nfs/dbraw/zinc/70/55/55/502705555.db2.gz KHXCHEYTWZDMRQ-NHCUHLMSSA-N 2 1 357.542 3.204 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CS1 ZINC000488408809 502707090 /nfs/dbraw/zinc/70/70/90/502707090.db2.gz ICQYENLIFLFXMP-WCIQWLHISA-N 2 1 362.583 3.379 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CS1 ZINC000488408809 502707094 /nfs/dbraw/zinc/70/70/94/502707094.db2.gz ICQYENLIFLFXMP-WCIQWLHISA-N 2 1 362.583 3.379 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000477217984 502710906 /nfs/dbraw/zinc/71/09/06/502710906.db2.gz FBXPORQPMFHYHQ-OAQYLSRUSA-N 2 1 374.573 3.067 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2OC(F)(F)F)[C@H](C)C1 ZINC000470258914 502718607 /nfs/dbraw/zinc/71/86/07/502718607.db2.gz UHHDCDRTKQQGIO-VYDXJSESSA-N 2 1 374.447 3.056 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000488470838 502724595 /nfs/dbraw/zinc/72/45/95/502724595.db2.gz WPJBNPQAOBERRS-PCCBWWKXSA-N 2 1 369.553 3.183 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488498439 502732658 /nfs/dbraw/zinc/73/26/58/502732658.db2.gz HAURIDJMSXZNSM-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488498439 502732664 /nfs/dbraw/zinc/73/26/64/502732664.db2.gz HAURIDJMSXZNSM-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)c1 ZINC000488498439 502732666 /nfs/dbraw/zinc/73/26/66/502732666.db2.gz HAURIDJMSXZNSM-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463246999 502735433 /nfs/dbraw/zinc/73/54/33/502735433.db2.gz LURODVKIDVLWOE-FKVLARQCSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463246999 502735439 /nfs/dbraw/zinc/73/54/39/502735439.db2.gz LURODVKIDVLWOE-FKVLARQCSA-N 2 1 369.553 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000481033793 502735703 /nfs/dbraw/zinc/73/57/03/502735703.db2.gz HVDXLFVPOVCXEY-WOZUAGRISA-N 2 1 367.622 3.470 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000481033793 502735709 /nfs/dbraw/zinc/73/57/09/502735709.db2.gz HVDXLFVPOVCXEY-WOZUAGRISA-N 2 1 367.622 3.470 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C)C1 ZINC000481033793 502735714 /nfs/dbraw/zinc/73/57/14/502735714.db2.gz HVDXLFVPOVCXEY-WOZUAGRISA-N 2 1 367.622 3.470 20 0 FGADMP Clc1ccccc1C[NH+]1CCC(Nc2c[nH+]ccc2-n2ccnn2)CC1 ZINC000463249730 502736945 /nfs/dbraw/zinc/73/69/45/502736945.db2.gz GWVOBUBNMNEBDO-UHFFFAOYSA-N 2 1 368.872 3.392 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000463262979 502740363 /nfs/dbraw/zinc/74/03/63/502740363.db2.gz BNNFLENKJAGAKG-IZZBFERCSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000463262979 502740366 /nfs/dbraw/zinc/74/03/66/502740366.db2.gz BNNFLENKJAGAKG-IZZBFERCSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000463262979 502740371 /nfs/dbraw/zinc/74/03/71/502740371.db2.gz BNNFLENKJAGAKG-IZZBFERCSA-N 2 1 372.557 3.021 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000463270299 502742046 /nfs/dbraw/zinc/74/20/46/502742046.db2.gz FZDFAIQALYXMBS-RJJVWVDVSA-N 2 1 360.542 3.195 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1(C)C ZINC000463270299 502742050 /nfs/dbraw/zinc/74/20/50/502742050.db2.gz FZDFAIQALYXMBS-RJJVWVDVSA-N 2 1 360.542 3.195 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558964 502750907 /nfs/dbraw/zinc/75/09/07/502750907.db2.gz MYPUKZPMZAWSLN-CTAFRAEOSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558964 502750912 /nfs/dbraw/zinc/75/09/12/502750912.db2.gz MYPUKZPMZAWSLN-CTAFRAEOSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558964 502750917 /nfs/dbraw/zinc/75/09/17/502750917.db2.gz MYPUKZPMZAWSLN-CTAFRAEOSA-N 2 1 372.557 3.021 20 0 FGADMP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474009943 502778151 /nfs/dbraw/zinc/77/81/51/502778151.db2.gz MPFPNZHFLJNAFV-QWFCFKBJSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938414 502782480 /nfs/dbraw/zinc/78/24/80/502782480.db2.gz QGTIKRSRENNACT-VOAKCMCISA-N 2 1 358.313 3.228 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938414 502782486 /nfs/dbraw/zinc/78/24/86/502782486.db2.gz QGTIKRSRENNACT-VOAKCMCISA-N 2 1 358.313 3.228 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000470465261 502785565 /nfs/dbraw/zinc/78/55/65/502785565.db2.gz BLPRZEGRFRZDBG-UHFFFAOYSA-N 2 1 374.573 3.065 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997409 502795563 /nfs/dbraw/zinc/79/55/63/502795563.db2.gz SMGUXMPECIZDKT-WMZOPIPTSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997409 502795566 /nfs/dbraw/zinc/79/55/66/502795566.db2.gz SMGUXMPECIZDKT-WMZOPIPTSA-N 2 1 361.505 3.156 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000470501150 502796936 /nfs/dbraw/zinc/79/69/36/502796936.db2.gz UDXKCOOTGPBVET-UHFFFAOYSA-N 2 1 374.573 3.413 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000513012297 502830494 /nfs/dbraw/zinc/83/04/94/502830494.db2.gz SDWJUJWZWXGFMH-ZDUSSCGKSA-N 2 1 371.319 3.375 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000513012297 502830495 /nfs/dbraw/zinc/83/04/95/502830495.db2.gz SDWJUJWZWXGFMH-ZDUSSCGKSA-N 2 1 371.319 3.375 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495667503 502856631 /nfs/dbraw/zinc/85/66/31/502856631.db2.gz HQZHSZMCJFDGKM-RTWAWAEBSA-N 2 1 373.516 3.171 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000495667503 502856637 /nfs/dbraw/zinc/85/66/37/502856637.db2.gz HQZHSZMCJFDGKM-RTWAWAEBSA-N 2 1 373.516 3.171 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513233989 502885828 /nfs/dbraw/zinc/88/58/28/502885828.db2.gz QQEAQMXSTMVLKX-UGKGYDQZSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCCOCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513233989 502885829 /nfs/dbraw/zinc/88/58/29/502885829.db2.gz QQEAQMXSTMVLKX-UGKGYDQZSA-N 2 1 360.542 3.462 20 0 FGADMP Cc1cc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nc(-c2ccncc2)n1 ZINC000489205753 502900562 /nfs/dbraw/zinc/90/05/62/502900562.db2.gz MTSMLXWRIGWIKL-FQEVSTJZSA-N 2 1 359.477 3.345 20 0 FGADMP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501023694 502914409 /nfs/dbraw/zinc/91/44/09/502914409.db2.gz UNBIUPMITFQCBF-GHTZIAJQSA-N 2 1 372.557 3.267 20 0 FGADMP C[C@@H](C(=O)NCC1CCCCC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027683 502916195 /nfs/dbraw/zinc/91/61/95/502916195.db2.gz KYIIUIBTDOWHRO-SFHVURJKSA-N 2 1 372.557 3.315 20 0 FGADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501045741 502920556 /nfs/dbraw/zinc/92/05/56/502920556.db2.gz KBWCCCIKFCHWMX-HNNXBMFYSA-N 2 1 357.454 3.371 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000501045898 502920930 /nfs/dbraw/zinc/92/09/30/502920930.db2.gz OFXPEQHMUJEIJR-WOJBJXKFSA-N 2 1 360.546 3.161 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054759 502922936 /nfs/dbraw/zinc/92/29/36/502922936.db2.gz VBGWNIADWICTEV-LVCYWYKZSA-N 2 1 372.557 3.313 20 0 FGADMP COc1ccc(OCC[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000501055434 502923677 /nfs/dbraw/zinc/92/36/77/502923677.db2.gz SKVFIYJHYAZIFG-UHFFFAOYSA-N 2 1 355.482 3.317 20 0 FGADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccco1 ZINC000509586531 502942005 /nfs/dbraw/zinc/94/20/05/502942005.db2.gz HIWVRARCKIFJFS-SJORKVTESA-N 2 1 364.534 3.130 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505629243 502953834 /nfs/dbraw/zinc/95/38/34/502953834.db2.gz FBLAQOUXYKTJOL-WMQCIHAUSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@H+]1Cc1ccccc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000505629243 502953837 /nfs/dbraw/zinc/95/38/37/502953837.db2.gz FBLAQOUXYKTJOL-WMQCIHAUSA-N 2 1 351.494 3.069 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000513613919 502980672 /nfs/dbraw/zinc/98/06/72/502980672.db2.gz UXXYXFZUJVTATP-YADHBBJMSA-N 2 1 365.521 3.356 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000489632199 503002049 /nfs/dbraw/zinc/00/20/49/503002049.db2.gz GILHMELCEWYPKT-QFIPXVFZSA-N 2 1 368.521 3.270 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000501519631 503027382 /nfs/dbraw/zinc/02/73/82/503027382.db2.gz BPVSJYLCMIYPJH-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000501519631 503027384 /nfs/dbraw/zinc/02/73/84/503027384.db2.gz BPVSJYLCMIYPJH-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501547174 503034800 /nfs/dbraw/zinc/03/48/00/503034800.db2.gz SIAZZKRZAAWTIZ-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000501550991 503035276 /nfs/dbraw/zinc/03/52/76/503035276.db2.gz MEBHAPUNWUHKNE-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000513891913 503043101 /nfs/dbraw/zinc/04/31/01/503043101.db2.gz OIMWWKVVQYEIRD-QGZVFWFLSA-N 2 1 357.498 3.370 20 0 FGADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1cc2ccccc2o1 ZINC000513891913 503043105 /nfs/dbraw/zinc/04/31/05/503043105.db2.gz OIMWWKVVQYEIRD-QGZVFWFLSA-N 2 1 357.498 3.370 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000513891555 503043234 /nfs/dbraw/zinc/04/32/34/503043234.db2.gz ITOIZZQYKRYKHR-SVFBPWRDSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@]1(c2ccccc2)CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000510097995 503048734 /nfs/dbraw/zinc/04/87/34/503048734.db2.gz HYJWIUNRLDXHIN-QHCPKHFHSA-N 2 1 369.553 3.173 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000501619031 503050835 /nfs/dbraw/zinc/05/08/35/503050835.db2.gz PBGGMSZJRLAMBV-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000514017220 503069859 /nfs/dbraw/zinc/06/98/59/503069859.db2.gz FLPIRIAVODWVMG-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP CCCC[N@@H+](C)CC1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000510264050 503081259 /nfs/dbraw/zinc/08/12/59/503081259.db2.gz KHIQBWNHCSBDCX-IBGZPJMESA-N 2 1 350.478 3.484 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(CCC[NH3+])CC3CCCC3)sc2C1 ZINC000489985880 503082632 /nfs/dbraw/zinc/08/26/32/503082632.db2.gz CKKJRSJBANPSRU-UHFFFAOYSA-N 3 1 350.576 3.251 20 0 FGADMP CC(C)N1CCc2nc(CN(CCC[NH3+])CC3CCCC3)sc2C1 ZINC000489985880 503082637 /nfs/dbraw/zinc/08/26/37/503082637.db2.gz CKKJRSJBANPSRU-UHFFFAOYSA-N 3 1 350.576 3.251 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489986537 503082882 /nfs/dbraw/zinc/08/28/82/503082882.db2.gz FJHGSOMKVKJNCY-QFIPXVFZSA-N 2 1 352.526 3.432 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000489986537 503082883 /nfs/dbraw/zinc/08/28/83/503082883.db2.gz FJHGSOMKVKJNCY-QFIPXVFZSA-N 2 1 352.526 3.432 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514098154 503087175 /nfs/dbraw/zinc/08/71/75/503087175.db2.gz DRQKDGOYCSJGIU-NJDAHSKKSA-N 3 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514098154 503087178 /nfs/dbraw/zinc/08/71/78/503087178.db2.gz DRQKDGOYCSJGIU-NJDAHSKKSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000514098154 503087180 /nfs/dbraw/zinc/08/71/80/503087180.db2.gz DRQKDGOYCSJGIU-NJDAHSKKSA-N 2 1 359.558 3.370 20 0 FGADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1ccc2c(c1)OCCO2)CC1CCCC1 ZINC000490010857 503089544 /nfs/dbraw/zinc/08/95/44/503089544.db2.gz DCZSMHCCTLVAOQ-UHFFFAOYSA-N 2 1 370.497 3.189 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326652 503092992 /nfs/dbraw/zinc/09/29/92/503092992.db2.gz ZCTVTVVIRJDRJX-KOUHRCEDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326652 503092996 /nfs/dbraw/zinc/09/29/96/503092996.db2.gz ZCTVTVVIRJDRJX-KOUHRCEDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326652 503092998 /nfs/dbraw/zinc/09/29/98/503092998.db2.gz ZCTVTVVIRJDRJX-KOUHRCEDSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846881 503093388 /nfs/dbraw/zinc/09/33/88/503093388.db2.gz AZHPHKYHROTULX-TZIWHRDSSA-N 2 1 372.557 3.387 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221439 503117024 /nfs/dbraw/zinc/11/70/24/503117024.db2.gz HTZHGIOVNRYSNF-CTNGQTDRSA-N 2 1 372.557 3.163 20 0 FGADMP CCN(C)[C@H](C(=O)NCc1ccc(N(CC)CC)nc1)c1ccccc1 ZINC000490156902 503119483 /nfs/dbraw/zinc/11/94/83/503119483.db2.gz XKYNNEGPNZDEAA-FQEVSTJZSA-N 2 1 354.498 3.237 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)cc1 ZINC000498250032 503141946 /nfs/dbraw/zinc/14/19/46/503141946.db2.gz HAEBJCZSHOFTNR-MSOLQXFVSA-N 2 1 360.546 3.153 20 0 FGADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000514636619 503154934 /nfs/dbraw/zinc/15/49/34/503154934.db2.gz AUUGJGLYCCPVNS-AZUAARDMSA-N 2 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000514636619 503154938 /nfs/dbraw/zinc/15/49/38/503154938.db2.gz AUUGJGLYCCPVNS-AZUAARDMSA-N 2 1 361.599 3.314 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000510872219 503207496 /nfs/dbraw/zinc/20/74/96/503207496.db2.gz LJSOVUQNUBKKLQ-XDJHFCHBSA-N 2 1 359.558 3.100 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000490988242 503256420 /nfs/dbraw/zinc/25/64/20/503256420.db2.gz LIBDDYRVPLBOEG-FQEVSTJZSA-N 2 1 360.546 3.163 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000490999570 503257845 /nfs/dbraw/zinc/25/78/45/503257845.db2.gz KUIXVLAGYQSYRK-HXUWFJFHSA-N 2 1 360.546 3.072 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)COc3ccccc3F)C2)CC1 ZINC000498858425 503277007 /nfs/dbraw/zinc/27/70/07/503277007.db2.gz UNGGFHHVKHKSPQ-RBUKOAKNSA-N 2 1 364.505 3.009 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)COc3ccccc3F)C2)CC1 ZINC000498858425 503277015 /nfs/dbraw/zinc/27/70/15/503277015.db2.gz UNGGFHHVKHKSPQ-RBUKOAKNSA-N 2 1 364.505 3.009 20 0 FGADMP COC(=O)c1ccc(F)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000511215644 503281490 /nfs/dbraw/zinc/28/14/90/503281490.db2.gz IPIFUFIXFJZARA-UHFFFAOYSA-N 2 1 371.456 3.356 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000502823041 503282068 /nfs/dbraw/zinc/28/20/68/503282068.db2.gz DMJJUCUAONOBKA-DLBZAZTESA-N 2 1 366.575 3.162 20 0 FGADMP C[N@H+]1CCC[C@@H](CNCc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243222 503285449 /nfs/dbraw/zinc/28/54/49/503285449.db2.gz OWUNVAWFZJJZMG-MGPUTAFESA-N 2 1 371.506 3.252 20 0 FGADMP CN1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243222 503285451 /nfs/dbraw/zinc/28/54/51/503285451.db2.gz OWUNVAWFZJJZMG-MGPUTAFESA-N 2 1 371.506 3.252 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243222 503285456 /nfs/dbraw/zinc/28/54/56/503285456.db2.gz OWUNVAWFZJJZMG-MGPUTAFESA-N 2 1 371.506 3.252 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)[C@@H]1c1cccs1 ZINC000511243222 503285459 /nfs/dbraw/zinc/28/54/59/503285459.db2.gz OWUNVAWFZJJZMG-MGPUTAFESA-N 2 1 371.506 3.252 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000507415172 503295895 /nfs/dbraw/zinc/29/58/95/503295895.db2.gz UCYRSCISSPFLMV-MOPGFXCFSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000502884861 503298351 /nfs/dbraw/zinc/29/83/51/503298351.db2.gz LGFQYABUHHPAMP-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000502884861 503298354 /nfs/dbraw/zinc/29/83/54/503298354.db2.gz LGFQYABUHHPAMP-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000502884861 503298359 /nfs/dbraw/zinc/29/83/59/503298359.db2.gz LGFQYABUHHPAMP-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000502884860 503298562 /nfs/dbraw/zinc/29/85/62/503298562.db2.gz LGFQYABUHHPAMP-DYXWJJEUSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000502884860 503298567 /nfs/dbraw/zinc/29/85/67/503298567.db2.gz LGFQYABUHHPAMP-DYXWJJEUSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000502884860 503298572 /nfs/dbraw/zinc/29/85/72/503298572.db2.gz LGFQYABUHHPAMP-DYXWJJEUSA-N 2 1 357.542 3.372 20 0 FGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507464382 503303146 /nfs/dbraw/zinc/30/31/46/503303146.db2.gz XJSUNZIUIIRRQA-PCCBWWKXSA-N 2 1 350.510 3.302 20 0 FGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515301585 503309529 /nfs/dbraw/zinc/30/95/29/503309529.db2.gz NFTTVHACOBNNCQ-RTWAWAEBSA-N 2 1 351.494 3.022 20 0 FGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515301585 503309533 /nfs/dbraw/zinc/30/95/33/503309533.db2.gz NFTTVHACOBNNCQ-RTWAWAEBSA-N 2 1 351.494 3.022 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc2c1CCCC2 ZINC000499506867 503420868 /nfs/dbraw/zinc/42/08/68/503420868.db2.gz HOGHRCLEMTZXNI-INIZCTEOSA-N 2 1 363.571 3.115 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000508089926 503428768 /nfs/dbraw/zinc/42/87/68/503428768.db2.gz QMESFRUXLCPLIE-LJQANCHMSA-N 2 1 370.541 3.273 20 0 FGADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C1 ZINC000512061090 503446928 /nfs/dbraw/zinc/44/69/28/503446928.db2.gz XAXOTYCSEKGXPX-INIZCTEOSA-N 2 1 362.518 3.411 20 0 FGADMP CCc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)cn1 ZINC000512086806 503454214 /nfs/dbraw/zinc/45/42/14/503454214.db2.gz HBMXDYLBHIEMCG-UHFFFAOYSA-N 2 1 352.526 3.071 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCCNc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000588896571 506373248 /nfs/dbraw/zinc/37/32/48/506373248.db2.gz LNSILSHIDUNBPF-UHFFFAOYSA-N 2 1 364.497 3.232 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000508256262 503464470 /nfs/dbraw/zinc/46/44/70/503464470.db2.gz HAVBASKCAYAIEQ-VUHHOQONSA-N 2 1 371.569 3.338 20 0 FGADMP COCc1ccccc1/C=C(/C)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000508256262 503464474 /nfs/dbraw/zinc/46/44/74/503464474.db2.gz HAVBASKCAYAIEQ-VUHHOQONSA-N 2 1 371.569 3.338 20 0 FGADMP c1ccc(COC2CC([NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000493961194 503466178 /nfs/dbraw/zinc/46/61/78/503466178.db2.gz OZJYTIMXZYRAHE-UHFFFAOYSA-N 2 1 366.505 3.356 20 0 FGADMP C[C@H]1CCCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000512186138 503480284 /nfs/dbraw/zinc/48/02/84/503480284.db2.gz SYIRHVJOAVNNMI-KRWDZBQOSA-N 2 1 361.555 3.438 20 0 FGADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494266734 503516348 /nfs/dbraw/zinc/51/63/48/503516348.db2.gz AMTJSQFBWIBHAH-OALUTQOASA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494266734 503516352 /nfs/dbraw/zinc/51/63/52/503516352.db2.gz AMTJSQFBWIBHAH-OALUTQOASA-N 2 1 361.917 3.220 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCC2)c1)[N@H+]1CCC[C@H](C)C1 ZINC000500102736 503554514 /nfs/dbraw/zinc/55/45/14/503554514.db2.gz FSVVDRBVNAJEMV-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCN(c2ccccc2CNC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000494580894 503568381 /nfs/dbraw/zinc/56/83/81/503568381.db2.gz SMYDPPOEAGSPJL-UHFFFAOYSA-N 2 1 358.574 3.227 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC(C)=C[C@@H](C)C3)CC2)CC1 ZINC000516692445 503570779 /nfs/dbraw/zinc/57/07/79/503570779.db2.gz QIZAQBOILWJLQW-WIYYLYMNSA-N 2 1 361.574 3.245 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C(C)C ZINC000504427634 503573279 /nfs/dbraw/zinc/57/32/79/503573279.db2.gz SGZYIRRLOFIXKV-IBGZPJMESA-N 2 1 352.567 3.011 20 0 FGADMP CCCNC(=O)[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000512536474 503579016 /nfs/dbraw/zinc/57/90/16/503579016.db2.gz IXFVFFNEOUMUJF-FQEVSTJZSA-N 2 1 359.558 3.383 20 0 FGADMP CCCNC(=O)[C@H]1CCC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000512536474 503579022 /nfs/dbraw/zinc/57/90/22/503579022.db2.gz IXFVFFNEOUMUJF-FQEVSTJZSA-N 2 1 359.558 3.383 20 0 FGADMP CCCNC(=O)[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000512536474 503579026 /nfs/dbraw/zinc/57/90/26/503579026.db2.gz IXFVFFNEOUMUJF-FQEVSTJZSA-N 2 1 359.558 3.383 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)Cc1ccccc1 ZINC000512613475 503595303 /nfs/dbraw/zinc/59/53/03/503595303.db2.gz RUOQMTKDVMHWNU-NEWJYFPISA-N 2 1 364.533 3.480 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508903129 503595432 /nfs/dbraw/zinc/59/54/32/503595432.db2.gz FHMKEGSXVSPATK-SXLOBPIMSA-N 2 1 360.546 3.194 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625915 503597650 /nfs/dbraw/zinc/59/76/50/503597650.db2.gz QWRFTLFFIBWKGQ-MBDNFAEBSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625915 503597654 /nfs/dbraw/zinc/59/76/54/503597654.db2.gz QWRFTLFFIBWKGQ-MBDNFAEBSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000512625915 503597655 /nfs/dbraw/zinc/59/76/55/503597655.db2.gz QWRFTLFFIBWKGQ-MBDNFAEBSA-N 2 1 373.610 3.314 20 0 FGADMP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512637198 503600444 /nfs/dbraw/zinc/60/04/44/503600444.db2.gz SMWWXZIEEAUFAU-FGTMMUONSA-N 2 1 356.432 3.456 20 0 FGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000512640995 503601478 /nfs/dbraw/zinc/60/14/78/503601478.db2.gz CEDDINIBMKUAIA-WOZUAGRISA-N 2 1 350.510 3.157 20 0 FGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@@H]1C ZINC000512673585 503609230 /nfs/dbraw/zinc/60/92/30/503609230.db2.gz RHLUEXBYSPLZFO-DGQTTZFYSA-N 2 1 357.542 3.298 20 0 FGADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)cc2I)C1 ZINC000516981018 503637006 /nfs/dbraw/zinc/63/70/06/503637006.db2.gz HDYLRXVKUCVNPT-RYUDHWBXSA-N 2 1 364.658 3.304 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCCC[NH+]2CC(C)C)[C@@H](C)C1 ZINC000540147203 503688878 /nfs/dbraw/zinc/68/88/78/503688878.db2.gz QNDKPEBAKCIPDC-HBMCJLEFSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCCC[N@@H+]2CC(C)C)[C@@H](C)C1 ZINC000540147203 503688882 /nfs/dbraw/zinc/68/88/82/503688882.db2.gz QNDKPEBAKCIPDC-HBMCJLEFSA-N 2 1 353.595 3.224 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCCC[N@H+]2CC(C)C)[C@@H](C)C1 ZINC000540147203 503688888 /nfs/dbraw/zinc/68/88/88/503688888.db2.gz QNDKPEBAKCIPDC-HBMCJLEFSA-N 2 1 353.595 3.224 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1)CC(C)C ZINC000517263752 503698226 /nfs/dbraw/zinc/69/82/26/503698226.db2.gz XDOHHPKFDBGDDF-UHFFFAOYSA-N 2 1 362.562 3.297 20 0 FGADMP CC(C)[C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000529801051 503704141 /nfs/dbraw/zinc/70/41/41/503704141.db2.gz MAMQTNAJSXJIHP-JOCHJYFZSA-N 2 1 371.569 3.476 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000536837370 503737551 /nfs/dbraw/zinc/73/75/51/503737551.db2.gz GASFTHGYJLSRTR-IEBWSBKVSA-N 2 1 372.513 3.006 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc(F)c(F)cc2F)c2cccs2)CC1 ZINC000540482786 503784996 /nfs/dbraw/zinc/78/49/96/503784996.db2.gz ZAZHQKAZKCRHAE-KRWDZBQOSA-N 2 1 369.456 3.244 20 0 FGADMP CC[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000533287209 503791807 /nfs/dbraw/zinc/79/18/07/503791807.db2.gz WVPKABYWGXWRTP-FPOVZHCZSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](CCc1ccccc1)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000540505934 503797376 /nfs/dbraw/zinc/79/73/76/503797376.db2.gz OLRQJGGRTNTFAQ-HXUWFJFHSA-N 2 1 371.569 3.131 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000517655388 503798436 /nfs/dbraw/zinc/79/84/36/503798436.db2.gz JNWLQZYZKBOMCD-GOSISDBHSA-N 2 1 367.428 3.153 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000517655388 503798440 /nfs/dbraw/zinc/79/84/40/503798440.db2.gz JNWLQZYZKBOMCD-GOSISDBHSA-N 2 1 367.428 3.153 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1ccn(C)n1)c1ccc(Cl)cc1 ZINC000543597211 503825217 /nfs/dbraw/zinc/82/52/17/503825217.db2.gz ZZFOHVDTZBFHSA-IEBWSBKVSA-N 2 1 364.921 3.109 20 0 FGADMP C[C@@H](NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431530 503842315 /nfs/dbraw/zinc/84/23/15/503842315.db2.gz OTNWQZPBVWXQST-ZIAGYGMSSA-N 2 1 372.340 3.444 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc3cc[nH]c3c2)c2cccs2)CC1 ZINC000527629758 503866320 /nfs/dbraw/zinc/86/63/20/503866320.db2.gz QJOPJVJJMNDABI-IBGZPJMESA-N 2 1 354.523 3.308 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(Cl)cc1Br ZINC000527654207 503877624 /nfs/dbraw/zinc/87/76/24/503877624.db2.gz RVHSJVDSTXCXGJ-SNVBAGLBSA-N 2 1 357.683 3.428 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2cc(OC)cc(C(F)(F)F)c2)CC1 ZINC000527652896 503877682 /nfs/dbraw/zinc/87/76/82/503877682.db2.gz MVBBCFOCJPHDSO-UHFFFAOYSA-N 2 1 360.420 3.305 20 0 FGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000530216433 503880559 /nfs/dbraw/zinc/88/05/59/503880559.db2.gz BKYYNXWEDPUAGO-VXKWHMMOSA-N 2 1 371.500 3.423 20 0 FGADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000530216433 503880565 /nfs/dbraw/zinc/88/05/65/503880565.db2.gz BKYYNXWEDPUAGO-VXKWHMMOSA-N 2 1 371.500 3.423 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530216899 503880821 /nfs/dbraw/zinc/88/08/21/503880821.db2.gz DGVGHUYETHSAGD-SWLSCSKDSA-N 2 1 366.303 3.040 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530221537 503881613 /nfs/dbraw/zinc/88/16/13/503881613.db2.gz GEDXJXKGXMHENA-CQSZACIVSA-N 2 1 353.869 3.129 20 0 FGADMP FC(F)(F)[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)n1cccn1 ZINC000527739556 503921987 /nfs/dbraw/zinc/92/19/87/503921987.db2.gz VXKSHSCEZNHXHU-GOSISDBHSA-N 2 1 366.431 3.283 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nc3ccc(OC)nc3[nH]2)CC1 ZINC000546930227 503929187 /nfs/dbraw/zinc/92/91/87/503929187.db2.gz CSLUXSRORVLQMD-UHFFFAOYSA-N 2 1 359.518 3.301 20 0 FGADMP C[C@@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000518438961 503984918 /nfs/dbraw/zinc/98/49/18/503984918.db2.gz SCBXNVRNLBNFKU-OTWHNJEPSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000518438961 503984925 /nfs/dbraw/zinc/98/49/25/503984925.db2.gz SCBXNVRNLBNFKU-OTWHNJEPSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000518438961 503984932 /nfs/dbraw/zinc/98/49/32/503984932.db2.gz SCBXNVRNLBNFKU-OTWHNJEPSA-N 2 1 360.546 3.069 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000537647420 503990678 /nfs/dbraw/zinc/99/06/78/503990678.db2.gz LAWBKTUKQZZPBU-OAQYLSRUSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+](CC)CC)C2)CC1 ZINC000537647420 503990674 /nfs/dbraw/zinc/99/06/74/503990674.db2.gz LAWBKTUKQZZPBU-OAQYLSRUSA-N 3 1 372.601 3.382 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC(C)(C)C1 ZINC000544116282 504012505 /nfs/dbraw/zinc/01/25/05/504012505.db2.gz CTLIERGDGKZHLS-SFHVURJKSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000530576319 504015007 /nfs/dbraw/zinc/01/50/07/504015007.db2.gz MTEOKSNBWUGKBO-IBGZPJMESA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000530576319 504015012 /nfs/dbraw/zinc/01/50/12/504015012.db2.gz MTEOKSNBWUGKBO-IBGZPJMESA-N 2 1 365.521 3.288 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351286 504101852 /nfs/dbraw/zinc/10/18/52/504101852.db2.gz XWQITUZRBBFNBU-JYJNAYRXSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351286 504101856 /nfs/dbraw/zinc/10/18/56/504101856.db2.gz XWQITUZRBBFNBU-JYJNAYRXSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351286 504101860 /nfs/dbraw/zinc/10/18/60/504101860.db2.gz XWQITUZRBBFNBU-JYJNAYRXSA-N 2 1 374.447 3.250 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000544361220 504102810 /nfs/dbraw/zinc/10/28/10/504102810.db2.gz UZOLHRKPAQUPGT-FGTMMUONSA-N 2 1 362.514 3.257 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000544361220 504102814 /nfs/dbraw/zinc/10/28/14/504102814.db2.gz UZOLHRKPAQUPGT-FGTMMUONSA-N 2 1 362.514 3.257 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000544377017 504108305 /nfs/dbraw/zinc/10/83/05/504108305.db2.gz HODUNZYLUMACKD-XOKHGSTOSA-N 2 1 351.922 3.368 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000544377017 504108309 /nfs/dbraw/zinc/10/83/09/504108309.db2.gz HODUNZYLUMACKD-XOKHGSTOSA-N 2 1 351.922 3.368 20 0 FGADMP COc1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc(OC)c1OC ZINC000534346977 504118197 /nfs/dbraw/zinc/11/81/97/504118197.db2.gz KQEVNIOPQTZQDY-UHFFFAOYSA-N 2 1 350.503 3.265 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000530904941 504125032 /nfs/dbraw/zinc/12/50/32/504125032.db2.gz SROVAUUZNOTIST-DNVCBOLYSA-N 2 1 354.922 3.195 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000530904941 504125038 /nfs/dbraw/zinc/12/50/38/504125038.db2.gz SROVAUUZNOTIST-DNVCBOLYSA-N 2 1 354.922 3.195 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507889 504130527 /nfs/dbraw/zinc/13/05/27/504130527.db2.gz DJWPEVCTUVGVFM-VOFPXKNKSA-N 2 1 358.526 3.213 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@]12CCCO2 ZINC000547507887 504130763 /nfs/dbraw/zinc/13/07/63/504130763.db2.gz DJWPEVCTUVGVFM-KHSAKVFQSA-N 2 1 358.526 3.213 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cc1)C1CC1 ZINC000534409053 504134069 /nfs/dbraw/zinc/13/40/69/504134069.db2.gz LBYUHHQSUXSPOS-NRFANRHFSA-N 2 1 369.553 3.475 20 0 FGADMP CCOC(=O)c1sc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)nc1C ZINC000544518796 504160440 /nfs/dbraw/zinc/16/04/40/504160440.db2.gz JDIOXUSHOIVBLF-CYBMUJFWSA-N 2 1 350.488 3.264 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCC[N@H+](C)C2CCCC2)[NH+]2CCCC2)cc1 ZINC000519209684 504164610 /nfs/dbraw/zinc/16/46/10/504164610.db2.gz YDUOQHARCRKYSV-OAQYLSRUSA-N 2 1 372.557 3.306 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2ccccn2)CC1 ZINC000541545742 504171510 /nfs/dbraw/zinc/17/15/10/504171510.db2.gz PDAXCWHQAFXALL-QFIPXVFZSA-N 2 1 370.516 3.173 20 0 FGADMP CC(C)(C)[C@H]1CC[N@@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@H]1O ZINC000541618156 504202352 /nfs/dbraw/zinc/20/23/52/504202352.db2.gz LBLAHZOBHIZDRE-IYWMVGAKSA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@H]1O ZINC000541618156 504202355 /nfs/dbraw/zinc/20/23/55/504202355.db2.gz LBLAHZOBHIZDRE-IYWMVGAKSA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@H]1O ZINC000541618156 504202364 /nfs/dbraw/zinc/20/23/64/504202364.db2.gz LBLAHZOBHIZDRE-IYWMVGAKSA-N 2 1 368.606 3.224 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000531142569 504204212 /nfs/dbraw/zinc/20/42/12/504204212.db2.gz PQYQNOOSNCBQPT-OAHLLOKOSA-N 2 1 374.481 3.438 20 0 FGADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000519620776 504276182 /nfs/dbraw/zinc/27/61/82/504276182.db2.gz FEWXOTYZJNRGNA-GOSISDBHSA-N 2 1 354.922 3.028 20 0 FGADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000519620776 504276188 /nfs/dbraw/zinc/27/61/88/504276188.db2.gz FEWXOTYZJNRGNA-GOSISDBHSA-N 2 1 354.922 3.028 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381926 504287213 /nfs/dbraw/zinc/28/72/13/504287213.db2.gz FPNFHVJDHDKZKQ-XBZUYWNMSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381926 504287231 /nfs/dbraw/zinc/28/72/31/504287231.db2.gz FPNFHVJDHDKZKQ-XBZUYWNMSA-N 2 1 360.542 3.246 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)C[C@H]1C ZINC000531381926 504287239 /nfs/dbraw/zinc/28/72/39/504287239.db2.gz FPNFHVJDHDKZKQ-XBZUYWNMSA-N 2 1 360.542 3.246 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000531485309 504325218 /nfs/dbraw/zinc/32/52/18/504325218.db2.gz TYWIWWYJAQUWGL-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000531485309 504325222 /nfs/dbraw/zinc/32/52/22/504325222.db2.gz TYWIWWYJAQUWGL-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000531485309 504325227 /nfs/dbraw/zinc/32/52/27/504325227.db2.gz TYWIWWYJAQUWGL-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156426 504350628 /nfs/dbraw/zinc/35/06/28/504350628.db2.gz ILUGMSKRNYBQJD-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000548162331 504353131 /nfs/dbraw/zinc/35/31/31/504353131.db2.gz YTJOLYUNEQPSLK-RHSMWYFYSA-N 2 1 364.946 3.436 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21)C1CC[NH+](C)CC1 ZINC000538792584 504372909 /nfs/dbraw/zinc/37/29/09/504372909.db2.gz ZPKOXRAMXWCHNQ-UGKGYDQZSA-N 2 1 357.542 3.218 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)CC2 ZINC000531677274 504390116 /nfs/dbraw/zinc/39/01/16/504390116.db2.gz DJBDWKHXOHJVLO-WOJBJXKFSA-N 2 1 371.550 3.322 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725722 504405310 /nfs/dbraw/zinc/40/53/10/504405310.db2.gz VIRATTFJHCWLPB-DVOMOZLQSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725722 504405312 /nfs/dbraw/zinc/40/53/12/504405312.db2.gz VIRATTFJHCWLPB-DVOMOZLQSA-N 2 1 368.319 3.239 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@@H]1c1cccs1 ZINC000531724409 504405457 /nfs/dbraw/zinc/40/54/57/504405457.db2.gz OSHKVLIGGFWAQX-OXJNMPFZSA-N 2 1 371.554 3.180 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@@H]1c1cccs1 ZINC000531724409 504405459 /nfs/dbraw/zinc/40/54/59/504405459.db2.gz OSHKVLIGGFWAQX-OXJNMPFZSA-N 2 1 371.554 3.180 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3ccsc3n2)CC1)CC1CC1 ZINC000538950019 504427275 /nfs/dbraw/zinc/42/72/75/504427275.db2.gz MDZGMSSVXZSXHK-UHFFFAOYSA-N 2 1 374.554 3.090 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000531804755 504430341 /nfs/dbraw/zinc/43/03/41/504430341.db2.gz SKEPVQTWRMATBC-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804755 504430344 /nfs/dbraw/zinc/43/03/44/504430344.db2.gz SKEPVQTWRMATBC-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804755 504430348 /nfs/dbraw/zinc/43/03/48/504430348.db2.gz SKEPVQTWRMATBC-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)(C)C ZINC000535426965 504433223 /nfs/dbraw/zinc/43/32/23/504433223.db2.gz HMRLSSATMACOPL-FHWLQOOXSA-N 2 1 360.546 3.097 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)CC[NH+](C)C3CCCCC3)sc2C1 ZINC000545309320 504438579 /nfs/dbraw/zinc/43/85/79/504438579.db2.gz QDDSVCFGKWQLLA-UHFFFAOYSA-N 2 1 350.532 3.114 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)CC[NH+](C)C3CCCCC3)sc2C1 ZINC000545309320 504438586 /nfs/dbraw/zinc/43/85/86/504438586.db2.gz QDDSVCFGKWQLLA-UHFFFAOYSA-N 2 1 350.532 3.114 20 0 FGADMP CC[NH+]1CCc2nc(NC(=O)CC[N@H+](C)C3CCCCC3)sc2C1 ZINC000545309320 504438590 /nfs/dbraw/zinc/43/85/90/504438590.db2.gz QDDSVCFGKWQLLA-UHFFFAOYSA-N 2 1 350.532 3.114 20 0 FGADMP CC[NH+]1CCc2nc(NC(=O)CC[N@@H+](C)C3CCCCC3)sc2C1 ZINC000545309320 504438595 /nfs/dbraw/zinc/43/85/95/504438595.db2.gz QDDSVCFGKWQLLA-UHFFFAOYSA-N 2 1 350.532 3.114 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1)CC(C)C ZINC000539176179 504492455 /nfs/dbraw/zinc/49/24/55/504492455.db2.gz MZAPFBPBGYGBBQ-GOSISDBHSA-N 2 1 354.583 3.116 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@H]2CNC(=O)Nc2c(C)ccnc2C)cc1 ZINC000529095635 504534114 /nfs/dbraw/zinc/53/41/14/504534114.db2.gz VUBPGMYURWCJHG-KRWDZBQOSA-N 2 1 354.454 3.103 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1C[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000548721187 504540800 /nfs/dbraw/zinc/54/08/00/504540800.db2.gz XUOILJHXAYRPDW-UHFFFAOYSA-N 2 1 373.541 3.236 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807536 504550366 /nfs/dbraw/zinc/55/03/66/504550366.db2.gz QEMIJZUTJWGAGR-QRVBRYPASA-N 2 1 374.916 3.414 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000535807536 504550374 /nfs/dbraw/zinc/55/03/74/504550374.db2.gz QEMIJZUTJWGAGR-QRVBRYPASA-N 2 1 374.916 3.414 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000539408031 504562099 /nfs/dbraw/zinc/56/20/99/504562099.db2.gz RPFQJSPGMZMWBI-QGZVFWFLSA-N 2 1 362.543 3.081 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532191753 504568555 /nfs/dbraw/zinc/56/85/55/504568555.db2.gz QDIYQXNIIKZQRX-MNEFBYGVSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC000542682646 504574473 /nfs/dbraw/zinc/57/44/73/504574473.db2.gz HHQMUWDXXLYUAN-HRAATJIYSA-N 2 1 355.526 3.105 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)[NH+](C)C)cc1 ZINC000520854018 504597733 /nfs/dbraw/zinc/59/77/33/504597733.db2.gz TYDJUYDFHPIALB-FGZHOGPDSA-N 2 1 365.521 3.379 20 0 FGADMP COC(=O)c1occc1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539528798 504599434 /nfs/dbraw/zinc/59/94/34/504599434.db2.gz RHGUQWBLNGANOE-AEFFLSMTSA-N 2 1 356.466 3.457 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000520893001 504604826 /nfs/dbraw/zinc/60/48/26/504604826.db2.gz NBSQOIMSZIALCA-JROBLHLSSA-N 2 1 372.553 3.380 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000520893001 504604832 /nfs/dbraw/zinc/60/48/32/504604832.db2.gz NBSQOIMSZIALCA-JROBLHLSSA-N 2 1 372.553 3.380 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000542811932 504620005 /nfs/dbraw/zinc/62/00/05/504620005.db2.gz XFFKQRJHOQREDF-UVUJQTEASA-N 2 1 366.505 3.229 20 0 FGADMP COc1ccccc1[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000542811932 504620012 /nfs/dbraw/zinc/62/00/12/504620012.db2.gz XFFKQRJHOQREDF-UVUJQTEASA-N 2 1 366.505 3.229 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1)CC(C)C ZINC000529358443 504644391 /nfs/dbraw/zinc/64/43/91/504644391.db2.gz SRNWBRYCPHKVBN-IBGZPJMESA-N 2 1 364.578 3.061 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(O)c3nc(C)ccc23)C1 ZINC000549136946 504698576 /nfs/dbraw/zinc/69/85/76/504698576.db2.gz ACMUNULPXJWLLA-SFHVURJKSA-N 2 1 357.498 3.182 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000539825206 504706407 /nfs/dbraw/zinc/70/64/07/504706407.db2.gz NTPRGUSKPRLQCB-FXAWDEMLSA-N 2 1 355.526 3.453 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529535592 504720032 /nfs/dbraw/zinc/72/00/32/504720032.db2.gz YNESJEQGSIREPI-INIZCTEOSA-N 2 1 351.485 3.348 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236042 504733718 /nfs/dbraw/zinc/73/37/18/504733718.db2.gz VFRHGIXKXWNWPT-QGQQZZQASA-N 2 1 350.506 3.405 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236042 504733723 /nfs/dbraw/zinc/73/37/23/504733723.db2.gz VFRHGIXKXWNWPT-QGQQZZQASA-N 2 1 350.506 3.405 20 0 FGADMP Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000549244986 504736516 /nfs/dbraw/zinc/73/65/16/504736516.db2.gz MDJUUYWSTPGVGA-HXUWFJFHSA-N 2 1 351.494 3.153 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)cc1 ZINC000521441324 504738801 /nfs/dbraw/zinc/73/88/01/504738801.db2.gz KWMWLSSETAMOID-IAGOWNOFSA-N 2 1 367.493 3.268 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1C ZINC000521511952 504750248 /nfs/dbraw/zinc/75/02/48/504750248.db2.gz HFKUTABJUVVADF-PKOBYXMFSA-N 2 1 369.509 3.202 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000536551230 504759612 /nfs/dbraw/zinc/75/96/12/504759612.db2.gz DQMRIZYTGRMVSE-FQEVSTJZSA-N 2 1 366.509 3.302 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000549261199 504776327 /nfs/dbraw/zinc/77/63/27/504776327.db2.gz JTEOQUNDJLJHJD-RTWAWAEBSA-N 2 1 374.569 3.302 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000556053786 504788325 /nfs/dbraw/zinc/78/83/25/504788325.db2.gz XTZTURCEXPBQLX-FGZHOGPDSA-N 2 1 371.569 3.447 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@@H]1c1ccccc1 ZINC000556053786 504788326 /nfs/dbraw/zinc/78/83/26/504788326.db2.gz XTZTURCEXPBQLX-FGZHOGPDSA-N 2 1 371.569 3.447 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000556104791 504797581 /nfs/dbraw/zinc/79/75/81/504797581.db2.gz LDJHIQACLMXXKT-DXBBTUNJSA-N 2 1 357.542 3.055 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2N2CCOCC2)C[C@@H]1c1ccccc1 ZINC000556104791 504797584 /nfs/dbraw/zinc/79/75/84/504797584.db2.gz LDJHIQACLMXXKT-DXBBTUNJSA-N 2 1 357.542 3.055 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000559269085 504814542 /nfs/dbraw/zinc/81/45/42/504814542.db2.gz VVFRHPKLMUEFPD-QGZVFWFLSA-N 2 1 361.555 3.438 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC000556243330 504827017 /nfs/dbraw/zinc/82/70/17/504827017.db2.gz BOZMGUBCYKWUEV-AYWYSENESA-N 2 1 353.514 3.120 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000549762655 504890653 /nfs/dbraw/zinc/89/06/53/504890653.db2.gz CFYRIOMFELFONJ-HKBOAZHASA-N 2 1 357.542 3.371 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2Cl)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000565475016 504898043 /nfs/dbraw/zinc/89/80/43/504898043.db2.gz HYJQEFIXXORBJB-ZOWXZIJZSA-N 2 1 356.297 3.076 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H]1c1ccccc1 ZINC000559737450 504919112 /nfs/dbraw/zinc/91/91/12/504919112.db2.gz WUCVHCJNVLNJLU-WOJBJXKFSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C[C@@H]1c1ccccc1 ZINC000559737450 504919115 /nfs/dbraw/zinc/91/91/15/504919115.db2.gz WUCVHCJNVLNJLU-WOJBJXKFSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000559742112 504919677 /nfs/dbraw/zinc/91/96/77/504919677.db2.gz SRPSGQTZACPQPL-JTHBVZDNSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000559742112 504919678 /nfs/dbraw/zinc/91/96/78/504919678.db2.gz SRPSGQTZACPQPL-JTHBVZDNSA-N 2 1 364.537 3.471 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000559794578 504929083 /nfs/dbraw/zinc/92/90/83/504929083.db2.gz ZBHHDVHFMMMWGZ-JOCHJYFZSA-N 2 1 358.574 3.283 20 0 FGADMP O=C(NCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000562748069 504931748 /nfs/dbraw/zinc/93/17/48/504931748.db2.gz JTKGPVDUCRNMEB-LPHOPBHVSA-N 2 1 357.885 3.153 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3C=CCCCCC3)CC2)C[C@@H](C)O1 ZINC000549928611 504937038 /nfs/dbraw/zinc/93/70/38/504937038.db2.gz VQEXTNQUXPZQDT-VAMGGRTRSA-N 2 1 350.547 3.466 20 0 FGADMP CC[C@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@@H+](C)Cc1ccccc1 ZINC000550130622 504974165 /nfs/dbraw/zinc/97/41/65/504974165.db2.gz CCHMMVNVJNIOEE-HXUWFJFHSA-N 2 1 357.498 3.080 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000550238605 504999409 /nfs/dbraw/zinc/99/94/09/504999409.db2.gz KOOAKWSHCHPWGF-NZQKXSOJSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000550238605 504999414 /nfs/dbraw/zinc/99/94/14/504999414.db2.gz KOOAKWSHCHPWGF-NZQKXSOJSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238605 504999419 /nfs/dbraw/zinc/99/94/19/504999419.db2.gz KOOAKWSHCHPWGF-NZQKXSOJSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000550238605 504999423 /nfs/dbraw/zinc/99/94/23/504999423.db2.gz KOOAKWSHCHPWGF-NZQKXSOJSA-N 2 1 374.569 3.450 20 0 FGADMP FC(F)(F)CN1CC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120113 505052777 /nfs/dbraw/zinc/05/27/77/505052777.db2.gz RVGBHRWABMLBSN-ZWKOTPCHSA-N 2 1 367.459 3.410 20 0 FGADMP FC(F)(F)CN1CC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120113 505052781 /nfs/dbraw/zinc/05/27/81/505052781.db2.gz RVGBHRWABMLBSN-ZWKOTPCHSA-N 2 1 367.459 3.410 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550621730 505075100 /nfs/dbraw/zinc/07/51/00/505075100.db2.gz FKJDPWRONCTAAP-LEWJYISDSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550621730 505075103 /nfs/dbraw/zinc/07/51/03/505075103.db2.gz FKJDPWRONCTAAP-LEWJYISDSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)C[C@@H]1c1ccccc1 ZINC000550678521 505083564 /nfs/dbraw/zinc/08/35/64/505083564.db2.gz HKNYSYWPIMENOA-NLWGTHIKSA-N 2 1 354.473 3.225 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)C[C@@H]1c1ccccc1 ZINC000550678521 505083567 /nfs/dbraw/zinc/08/35/67/505083567.db2.gz HKNYSYWPIMENOA-NLWGTHIKSA-N 2 1 354.473 3.225 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)C[C@H]1c1ccccc1 ZINC000550678522 505083970 /nfs/dbraw/zinc/08/39/70/505083970.db2.gz HKNYSYWPIMENOA-NSHGMRRFSA-N 2 1 354.473 3.225 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)C[C@H]1c1ccccc1 ZINC000550678522 505083974 /nfs/dbraw/zinc/08/39/74/505083974.db2.gz HKNYSYWPIMENOA-NSHGMRRFSA-N 2 1 354.473 3.225 20 0 FGADMP Cc1ccccc1C([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1C ZINC000563266613 505091709 /nfs/dbraw/zinc/09/17/09/505091709.db2.gz ZLPWKGZNEGNMOY-UHFFFAOYSA-N 2 1 365.521 3.147 20 0 FGADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132272 505101217 /nfs/dbraw/zinc/10/12/17/505101217.db2.gz NSZSRIKIAXLKIW-PGRDOPGGSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132272 505101222 /nfs/dbraw/zinc/10/12/22/505101222.db2.gz NSZSRIKIAXLKIW-PGRDOPGGSA-N 2 1 370.541 3.047 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795576 505102668 /nfs/dbraw/zinc/10/26/68/505102668.db2.gz HZBKYTBDDLSNLB-ACRUOGEOSA-N 2 1 367.541 3.122 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)n(C)n1 ZINC000550795576 505102673 /nfs/dbraw/zinc/10/26/73/505102673.db2.gz HZBKYTBDDLSNLB-ACRUOGEOSA-N 2 1 367.541 3.122 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528237 505115627 /nfs/dbraw/zinc/11/56/27/505115627.db2.gz OGWGOBDBGJONRX-CIAFKFPVSA-N 2 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528237 505115632 /nfs/dbraw/zinc/11/56/32/505115632.db2.gz OGWGOBDBGJONRX-CIAFKFPVSA-N 3 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528237 505115635 /nfs/dbraw/zinc/11/56/35/505115635.db2.gz OGWGOBDBGJONRX-CIAFKFPVSA-N 3 1 359.558 3.158 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252188 505125375 /nfs/dbraw/zinc/12/53/75/505125375.db2.gz GXNGDLMZCCGBQT-KSZLIROESA-N 2 1 364.534 3.273 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3nc(C4CC4)cs3)CC2)CC1 ZINC000557492785 505149563 /nfs/dbraw/zinc/14/95/63/505149563.db2.gz VBAKVNKFDVGTRS-UHFFFAOYSA-N 2 1 362.543 3.155 20 0 FGADMP c1cc2c(c([C@H]3CCC[N@@H+]3Cc3ccc4c(c3)C[NH2+]CC4)c1)OCCO2 ZINC000566351796 505150254 /nfs/dbraw/zinc/15/02/54/505150254.db2.gz DKRXFKKOYAAFAG-HXUWFJFHSA-N 2 1 350.462 3.441 20 0 FGADMP Cc1cc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)cc(N2CCCC2)[nH+]1 ZINC000563489060 505154004 /nfs/dbraw/zinc/15/40/04/505154004.db2.gz QFOYPVRPNSKAQM-UHFFFAOYSA-N 2 1 373.545 3.054 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641497 505190743 /nfs/dbraw/zinc/19/07/43/505190743.db2.gz TYUZBFXQRLALAN-RBBKRZOGSA-N 2 1 357.542 3.231 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)N[C@@H](c1ccccc1)C1CCCCC1 ZINC000563673513 505207268 /nfs/dbraw/zinc/20/72/68/505207268.db2.gz QZJGDOKKMJLKIR-CTNGQTDRSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000563690896 505213125 /nfs/dbraw/zinc/21/31/25/505213125.db2.gz DQMUFXKAYSJGQZ-XLIONFOSSA-N 2 1 372.557 3.391 20 0 FGADMP Cc1ccc(NCCCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH+]c1 ZINC000563775435 505234747 /nfs/dbraw/zinc/23/47/47/505234747.db2.gz SFJOEJARCGCGDK-UHFFFAOYSA-N 2 1 366.509 3.030 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242489 /nfs/dbraw/zinc/24/24/89/505242489.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@]1(CO)CCC[N@@H+]([C@H](C)CC[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242493 /nfs/dbraw/zinc/24/24/93/505242493.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 2 1 368.606 3.226 20 0 FGADMP CC(C)[C@]1(CO)CCC[N@H+]([C@H](C)CC[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000561070173 505242498 /nfs/dbraw/zinc/24/24/98/505242498.db2.gz NEPSHCSPLDLBCQ-BHIFYINESA-N 2 1 368.606 3.226 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014078 505285186 /nfs/dbraw/zinc/28/51/86/505285186.db2.gz VBYNSCQHFRCXBW-WFXMLNOXSA-N 2 1 355.526 3.085 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000558058196 505297875 /nfs/dbraw/zinc/29/78/75/505297875.db2.gz ZNSULUONXJSZSZ-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282980 505304675 /nfs/dbraw/zinc/30/46/75/505304675.db2.gz LFDPLERPCYMFDW-OFNKIYASSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000554959506 505311555 /nfs/dbraw/zinc/31/15/55/505311555.db2.gz GHEBRYZWPJGGKY-RTWAWAEBSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000554959506 505311557 /nfs/dbraw/zinc/31/15/57/505311557.db2.gz GHEBRYZWPJGGKY-RTWAWAEBSA-N 2 1 363.505 3.469 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)Nc1ccccc1 ZINC000554959506 505311558 /nfs/dbraw/zinc/31/15/58/505311558.db2.gz GHEBRYZWPJGGKY-RTWAWAEBSA-N 2 1 363.505 3.469 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803021 505312310 /nfs/dbraw/zinc/31/23/10/505312310.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H](N(C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803021 505312313 /nfs/dbraw/zinc/31/23/13/505312313.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H](N(C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803021 505312319 /nfs/dbraw/zinc/31/23/19/505312319.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803021 505312320 /nfs/dbraw/zinc/31/23/20/505312320.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803021 505312325 /nfs/dbraw/zinc/31/23/25/505312325.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803021 505312327 /nfs/dbraw/zinc/31/23/27/505312327.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803021 505312332 /nfs/dbraw/zinc/31/23/32/505312332.db2.gz DEPXWZGIGYNDAC-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001026 505334640 /nfs/dbraw/zinc/33/46/40/505334640.db2.gz DFKXZGGIXDLCEO-TZIWHRDSSA-N 2 1 369.553 3.422 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3ccc(C)s3)CC2)CC1 ZINC000567122026 505369677 /nfs/dbraw/zinc/36/96/77/505369677.db2.gz YWSWYGJDBQLPDY-UHFFFAOYSA-N 2 1 363.571 3.211 20 0 FGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)n1 ZINC000552034771 505376913 /nfs/dbraw/zinc/37/69/13/505376913.db2.gz WLVWKKBLYYTZPN-QRVBRYPASA-N 2 1 354.498 3.304 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057270 505384223 /nfs/dbraw/zinc/38/42/23/505384223.db2.gz MJODSTSKHHJPOR-WMZOPIPTSA-N 2 1 365.477 3.190 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555233285 505386244 /nfs/dbraw/zinc/38/62/44/505386244.db2.gz UFNHQKYIRRECKN-LZACKZIFSA-N 2 1 363.933 3.368 20 0 FGADMP c1cc(C[N@H+]2CCOC3(CCOCC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000567219437 505398741 /nfs/dbraw/zinc/39/87/41/505398741.db2.gz SHNHEVOBQHTISV-UHFFFAOYSA-N 2 1 358.526 3.444 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000561654642 505401731 /nfs/dbraw/zinc/40/17/31/505401731.db2.gz AIFQGYZPFHTYIL-LJQANCHMSA-N 2 1 374.529 3.170 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCCC1 ZINC000567324705 505428687 /nfs/dbraw/zinc/42/86/87/505428687.db2.gz ZXRGIDFUYYNLAN-AQNXPRMDSA-N 2 1 355.526 3.065 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000564500163 505434971 /nfs/dbraw/zinc/43/49/71/505434971.db2.gz STUFUXUEUAFOSP-PMACEKPBSA-N 2 1 368.525 3.347 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000564500163 505434974 /nfs/dbraw/zinc/43/49/74/505434974.db2.gz STUFUXUEUAFOSP-PMACEKPBSA-N 2 1 368.525 3.347 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000564548890 505449675 /nfs/dbraw/zinc/44/96/75/505449675.db2.gz XWCMMTIQSZOSOZ-UHFFFAOYSA-N 2 1 352.482 3.322 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000555539557 505451146 /nfs/dbraw/zinc/45/11/46/505451146.db2.gz MAAJJHSRJORTFA-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555539557 505451148 /nfs/dbraw/zinc/45/11/48/505451148.db2.gz MAAJJHSRJORTFA-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555539557 505451151 /nfs/dbraw/zinc/45/11/51/505451151.db2.gz MAAJJHSRJORTFA-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000562083489 505513533 /nfs/dbraw/zinc/51/35/33/505513533.db2.gz XDYXLJAXIOXCOI-SFHVURJKSA-N 2 1 355.482 3.193 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642376 505522514 /nfs/dbraw/zinc/52/25/14/505522514.db2.gz QPJUXBVJCADJQV-XGRCMKMKSA-N 2 1 351.494 3.142 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(CN[C@H]3C[C@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642376 505522517 /nfs/dbraw/zinc/52/25/17/505522517.db2.gz QPJUXBVJCADJQV-XGRCMKMKSA-N 2 1 351.494 3.142 20 0 FGADMP CC(C)N1CC[C@@H]([NH2+]CCCc2c[nH+]cn2C)[C@H]1c1ccc(F)c(F)c1 ZINC000567748010 505555548 /nfs/dbraw/zinc/55/55/48/505555548.db2.gz HKVWTDHBGGNMIA-WOJBJXKFSA-N 2 1 362.468 3.445 20 0 FGADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935239 505561327 /nfs/dbraw/zinc/56/13/27/505561327.db2.gz SQRHEKGSKYCDOO-WNYOCNMUSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935239 505561330 /nfs/dbraw/zinc/56/13/30/505561330.db2.gz SQRHEKGSKYCDOO-WNYOCNMUSA-N 2 1 363.933 3.227 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccccc2)cc1OC ZINC000567870481 505569428 /nfs/dbraw/zinc/56/94/28/505569428.db2.gz DFDMABOFUSPJGB-HKUYNNGSSA-N 2 1 352.478 3.412 20 0 FGADMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167796 506450501 /nfs/dbraw/zinc/45/05/01/506450501.db2.gz SZLSCSCIUCCVLW-SFTDATJTSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1cccc2ccccc21 ZINC000582905858 506482774 /nfs/dbraw/zinc/48/27/74/506482774.db2.gz UKSIZDPLBXGLNA-YHEJVBIMSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000582972060 506516315 /nfs/dbraw/zinc/51/63/15/506516315.db2.gz CEQGPLHYQQVOGQ-UWJYYQICSA-N 2 1 351.494 3.270 20 0 FGADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC(F)F ZINC000603517182 506540366 /nfs/dbraw/zinc/54/03/66/506540366.db2.gz HTJRKOJEMZZUDL-INIZCTEOSA-N 2 1 370.440 3.030 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1CC[NH3+] ZINC000583211170 506652366 /nfs/dbraw/zinc/65/23/66/506652366.db2.gz SOMFTNGFXDZTBS-FQEVSTJZSA-N 2 1 365.521 3.172 20 0 FGADMP CCCn1ccc(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000583290406 506699005 /nfs/dbraw/zinc/69/90/05/506699005.db2.gz UXRZZRVJTWXKJO-QHCPKHFHSA-N 2 1 366.553 3.290 20 0 FGADMP CCCn1ccc(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000583290406 506699011 /nfs/dbraw/zinc/69/90/11/506699011.db2.gz UXRZZRVJTWXKJO-QHCPKHFHSA-N 2 1 366.553 3.290 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000604115724 506720122 /nfs/dbraw/zinc/72/01/22/506720122.db2.gz JCWUDLJKIVDPMY-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000604115724 506720123 /nfs/dbraw/zinc/72/01/23/506720123.db2.gz JCWUDLJKIVDPMY-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000604115724 506720125 /nfs/dbraw/zinc/72/01/25/506720125.db2.gz JCWUDLJKIVDPMY-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000583508319 506819403 /nfs/dbraw/zinc/81/94/03/506819403.db2.gz HMMPYGKDQJZCLU-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP COC(=O)c1ccc(Cl)c(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000597255330 506864359 /nfs/dbraw/zinc/86/43/59/506864359.db2.gz HYOFCYJBUZXXNT-OAHLLOKOSA-N 2 1 350.890 3.338 20 0 FGADMP C[N@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017270 506865841 /nfs/dbraw/zinc/86/58/41/506865841.db2.gz IMJSXJSBVZHKOT-FGZHOGPDSA-N 2 1 363.505 3.169 20 0 FGADMP C[N@@H+]1Cc2ccccc2[C@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613017270 506865845 /nfs/dbraw/zinc/86/58/45/506865845.db2.gz IMJSXJSBVZHKOT-FGZHOGPDSA-N 2 1 363.505 3.169 20 0 FGADMP C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000604784936 506943037 /nfs/dbraw/zinc/94/30/37/506943037.db2.gz HTRIHBKJLMCYFF-IEBWSBKVSA-N 2 1 362.562 3.173 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000604784939 506943120 /nfs/dbraw/zinc/94/31/20/506943120.db2.gz HTRIHBKJLMCYFF-MJGOQNOKSA-N 2 1 362.562 3.173 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000590786630 506955845 /nfs/dbraw/zinc/95/58/45/506955845.db2.gz JMSUIXBISSFAQM-GOSISDBHSA-N 2 1 357.542 3.407 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000583785456 506971588 /nfs/dbraw/zinc/97/15/88/506971588.db2.gz DAAZPJDKKRATGE-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096777 507113848 /nfs/dbraw/zinc/11/38/48/507113848.db2.gz AQQINWWLHBWVNE-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000591096777 507113851 /nfs/dbraw/zinc/11/38/51/507113851.db2.gz AQQINWWLHBWVNE-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000591152297 507134309 /nfs/dbraw/zinc/13/43/09/507134309.db2.gz JOZSUVVZZDNSOQ-RTWAWAEBSA-N 2 1 357.542 3.450 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ncco4)cc3F)C2)CC1 ZINC000584099403 507152510 /nfs/dbraw/zinc/15/25/10/507152510.db2.gz AIRGHZAXHIEPSX-LJQANCHMSA-N 2 1 372.488 3.081 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1cccc(Cl)c1 ZINC000600925190 507182740 /nfs/dbraw/zinc/18/27/40/507182740.db2.gz MPCLKARXFGZJKB-QGZVFWFLSA-N 2 1 351.922 3.323 20 0 FGADMP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584161086 507187692 /nfs/dbraw/zinc/18/76/92/507187692.db2.gz UZBWISOXEATHFK-LJQANCHMSA-N 2 1 364.493 3.118 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000584200530 507209018 /nfs/dbraw/zinc/20/90/18/507209018.db2.gz CIZOUZZVQRXZST-RDJZCZTQSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000584200530 507209023 /nfs/dbraw/zinc/20/90/23/507209023.db2.gz CIZOUZZVQRXZST-RDJZCZTQSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000584200530 507209032 /nfs/dbraw/zinc/20/90/32/507209032.db2.gz CIZOUZZVQRXZST-RDJZCZTQSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000584200530 507209037 /nfs/dbraw/zinc/20/90/37/507209037.db2.gz CIZOUZZVQRXZST-RDJZCZTQSA-N 2 1 369.347 3.157 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594870343 507301373 /nfs/dbraw/zinc/30/13/73/507301373.db2.gz ZBZYTGILJNADFI-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594870343 507301378 /nfs/dbraw/zinc/30/13/78/507301378.db2.gz ZBZYTGILJNADFI-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594870343 507301389 /nfs/dbraw/zinc/30/13/89/507301389.db2.gz ZBZYTGILJNADFI-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601346389 507341313 /nfs/dbraw/zinc/34/13/13/507341313.db2.gz DUHAZQNJPOGUPX-FQEVSTJZSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3CCCC[N@H+]3C)ccc21 ZINC000606359978 507373112 /nfs/dbraw/zinc/37/31/12/507373112.db2.gz CZHJXUOMYRHWEV-HXUWFJFHSA-N 2 1 356.514 3.406 20 0 FGADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606377302 507382040 /nfs/dbraw/zinc/38/20/40/507382040.db2.gz RFVATLJAERYNIF-MBOZVWFJSA-N 2 1 359.514 3.109 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000606377302 507382045 /nfs/dbraw/zinc/38/20/45/507382045.db2.gz RFVATLJAERYNIF-MBOZVWFJSA-N 2 1 359.514 3.109 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@H]21 ZINC000584720121 507471087 /nfs/dbraw/zinc/47/10/87/507471087.db2.gz GBDPWMDOBGAFSX-NJDAHSKKSA-N 2 1 363.505 3.275 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3ccccc3Cc3ccccc3)C[C@H]21 ZINC000584720121 507471098 /nfs/dbraw/zinc/47/10/98/507471098.db2.gz GBDPWMDOBGAFSX-NJDAHSKKSA-N 2 1 363.505 3.275 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000595571743 507567745 /nfs/dbraw/zinc/56/77/45/507567745.db2.gz BWLOOTFQRRYBLT-WOJBJXKFSA-N 2 1 357.542 3.292 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC[NH+]2Cc3ccccc3C2)C1 ZINC000586855587 507693849 /nfs/dbraw/zinc/69/38/49/507693849.db2.gz YGNIDINCNFIXJK-ROUUACIJSA-N 2 1 372.557 3.058 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000602441495 507713041 /nfs/dbraw/zinc/71/30/41/507713041.db2.gz XSTIQSFRLKXCSJ-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP c1ccc(CC[N@@H+]2CC[C@@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000542764789 517724398 /nfs/dbraw/zinc/72/43/98/517724398.db2.gz RCJBJXSHZNZCPY-FQEVSTJZSA-N 2 1 365.525 3.443 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)cc1 ZINC000542764789 517724408 /nfs/dbraw/zinc/72/44/08/517724408.db2.gz RCJBJXSHZNZCPY-FQEVSTJZSA-N 2 1 365.525 3.443 20 0 FGADMP Cc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)cc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101234 562498364 /nfs/dbraw/zinc/49/83/64/562498364.db2.gz KTTODMAIWOBOQQ-RTBURBONSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@H]2CC[NH+](C(C)C)C2)cc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000533101234 562498365 /nfs/dbraw/zinc/49/83/65/562498365.db2.gz KTTODMAIWOBOQQ-RTBURBONSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@H]2CC[NH+](C(C)C)C2)cc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000533101234 562498366 /nfs/dbraw/zinc/49/83/66/562498366.db2.gz KTTODMAIWOBOQQ-RTBURBONSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@H]2CC[NH+](C(C)C)C2)cc(NC[C@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000533101234 562498371 /nfs/dbraw/zinc/49/83/71/562498371.db2.gz KTTODMAIWOBOQQ-RTBURBONSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@H]2CC[NH+](C(C)C)C2)cc(NC[C@H]2CC[N@H+](C(C)C)C2)n1 ZINC000533101234 562498372 /nfs/dbraw/zinc/49/83/72/562498372.db2.gz KTTODMAIWOBOQQ-RTBURBONSA-N 2 1 374.577 3.069 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCOC[C@H](C2CCC2)C1 ZINC000644842986 568181303 /nfs/dbraw/zinc/18/13/03/568181303.db2.gz HHFHTKHRYQKBFM-OAQYLSRUSA-N 2 1 358.526 3.410 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945774 608501717 /nfs/dbraw/zinc/50/17/17/608501717.db2.gz FLMDKWZZLDJQHP-UZLBHIALSA-N 2 1 368.529 3.346 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=S)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000044133036 695803620 /nfs/dbraw/zinc/80/36/20/695803620.db2.gz GIVRLNFZFLZVIP-IBGZPJMESA-N 2 1 360.571 3.443 20 0 FGADMP Clc1nn(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c2ccccc12 ZINC000093912136 700456414 /nfs/dbraw/zinc/45/64/14/700456414.db2.gz UEEKDFQIBQTUIB-UHFFFAOYSA-N 2 1 362.905 3.224 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000128192277 700772187 /nfs/dbraw/zinc/77/21/87/700772187.db2.gz SBRBOWCGLSKDOW-HIFRSBDPSA-N 2 1 371.497 3.239 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000180344636 705735984 /nfs/dbraw/zinc/73/59/84/705735984.db2.gz GEHJFWCBNPPORL-GVDBMIGSSA-N 2 1 351.535 3.238 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195175191 713547964 /nfs/dbraw/zinc/54/79/64/713547964.db2.gz MMHOTVFDRAABDQ-PXNSSMCTSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000195185650 713548522 /nfs/dbraw/zinc/54/85/22/713548522.db2.gz WSNGCTCCBWLHNR-XLIONFOSSA-N 2 1 353.551 3.488 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993972 713645127 /nfs/dbraw/zinc/64/51/27/713645127.db2.gz JTHSWZXYSMUMPX-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993972 713645130 /nfs/dbraw/zinc/64/51/30/713645130.db2.gz JTHSWZXYSMUMPX-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP Cc1cc(Br)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000641789438 717930541 /nfs/dbraw/zinc/93/05/41/717930541.db2.gz PQOZAGAQZCUPGV-CQSZACIVSA-N 2 1 355.320 3.255 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000521682875 714141554 /nfs/dbraw/zinc/14/15/54/714141554.db2.gz KTALOEUSAXZOSZ-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920114 714471032 /nfs/dbraw/zinc/47/10/32/714471032.db2.gz BMMLTEHRQNYOJX-MISYRCLQSA-N 2 1 361.917 3.478 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003840 714620775 /nfs/dbraw/zinc/62/07/75/714620775.db2.gz GGABNXNTPDEOQH-PBHICJAKSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003840 714620776 /nfs/dbraw/zinc/62/07/76/714620776.db2.gz GGABNXNTPDEOQH-PBHICJAKSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc2cccc(F)c12 ZINC000617503996 714662864 /nfs/dbraw/zinc/66/28/64/714662864.db2.gz DQNLKNMZHDMEFM-ZDUSSCGKSA-N 2 1 365.518 3.351 20 0 FGADMP Cc1c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc2cccc(F)c12 ZINC000617503996 714662866 /nfs/dbraw/zinc/66/28/66/714662866.db2.gz DQNLKNMZHDMEFM-ZDUSSCGKSA-N 2 1 365.518 3.351 20 0 FGADMP CCOc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OCC(F)(F)F ZINC000623086402 715162353 /nfs/dbraw/zinc/16/23/53/715162353.db2.gz OHJURFFFYUTSLK-UHFFFAOYSA-N 2 1 357.376 3.092 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1(C)C ZINC000623347615 715315920 /nfs/dbraw/zinc/31/59/20/715315920.db2.gz GAWPEOLFFCIQBC-APWZRJJASA-N 2 1 365.949 3.176 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000623655915 715379989 /nfs/dbraw/zinc/37/99/89/715379989.db2.gz IORZRGYAOMFZQT-HNNXBMFYSA-N 2 1 360.420 3.458 20 0 FGADMP Cc1csc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000623861467 715417320 /nfs/dbraw/zinc/41/73/20/715417320.db2.gz YYEVPUSFKJSPSK-HKUYNNGSSA-N 2 1 358.555 3.481 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@H]2CCC[C@@H]21 ZINC000624119910 715476612 /nfs/dbraw/zinc/47/66/12/715476612.db2.gz MDPCWBKNHQTFMF-ZRNYENFQSA-N 2 1 363.933 3.008 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132020 724394154 /nfs/dbraw/zinc/39/41/54/724394154.db2.gz XCTANHWIWKUYQI-QZTJIDSGSA-N 2 1 353.551 3.344 20 0 FGADMP FC1(F)CCC[NH+](CC2(C[N@H+]3CCCC(F)(F)CC3)COC2)CC1 ZINC000625770721 715787365 /nfs/dbraw/zinc/78/73/65/715787365.db2.gz PRCZBLRJTJZFGU-UHFFFAOYSA-N 2 1 352.416 3.245 20 0 FGADMP FC1(F)CCC[NH+](CC2(C[N@@H+]3CCCC(F)(F)CC3)COC2)CC1 ZINC000625770721 715787371 /nfs/dbraw/zinc/78/73/71/715787371.db2.gz PRCZBLRJTJZFGU-UHFFFAOYSA-N 2 1 352.416 3.245 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC000635188611 717152536 /nfs/dbraw/zinc/15/25/36/717152536.db2.gz OPMBENSRBNNCEF-YJBOKZPZSA-N 2 1 351.922 3.181 20 0 FGADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635452732 717171875 /nfs/dbraw/zinc/17/18/75/717171875.db2.gz IPSJNQCYQDTOCG-IBGZPJMESA-N 2 1 361.555 3.093 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000635603521 717180905 /nfs/dbraw/zinc/18/09/05/717180905.db2.gz PJTLHUFEGIRQMZ-YJBOKZPZSA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000635603521 717180909 /nfs/dbraw/zinc/18/09/09/717180909.db2.gz PJTLHUFEGIRQMZ-YJBOKZPZSA-N 2 1 360.527 3.267 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765535 717192920 /nfs/dbraw/zinc/19/29/20/717192920.db2.gz DRUCEOWGYLMXBU-IXDGSTSKSA-N 2 1 367.896 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765535 717192924 /nfs/dbraw/zinc/19/29/24/717192924.db2.gz DRUCEOWGYLMXBU-IXDGSTSKSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765535 717192928 /nfs/dbraw/zinc/19/29/28/717192928.db2.gz DRUCEOWGYLMXBU-IXDGSTSKSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765535 717192931 /nfs/dbraw/zinc/19/29/31/717192931.db2.gz DRUCEOWGYLMXBU-IXDGSTSKSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000636280630 717256178 /nfs/dbraw/zinc/25/61/78/717256178.db2.gz DYSVIAKEXSFTEA-MLGOLLRUSA-N 2 1 358.313 3.054 20 0 FGADMP Cc1nc(C)c(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000638030222 717402307 /nfs/dbraw/zinc/40/23/07/717402307.db2.gz CSJVTXCVCXFQGV-UHFFFAOYSA-N 2 1 358.511 3.082 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177619 717416916 /nfs/dbraw/zinc/41/69/16/717416916.db2.gz CYYLKDIIJMOWFI-KZNAEPCWSA-N 2 1 356.432 3.475 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1CC(F)(F)F ZINC000638177619 717416920 /nfs/dbraw/zinc/41/69/20/717416920.db2.gz CYYLKDIIJMOWFI-KZNAEPCWSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@@H+](C)C3CCOCC3)c2)CS1 ZINC000638508971 717453401 /nfs/dbraw/zinc/45/34/01/717453401.db2.gz PUBRKCFDCCWNLM-AEFFLSMTSA-N 2 1 364.555 3.160 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)CC1 ZINC000639759796 717598809 /nfs/dbraw/zinc/59/88/09/717598809.db2.gz JUMMVJGNENHCGB-UHFFFAOYSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC2(CC[N@H+](Cc3noc(-c4c(F)cccc4Cl)n3)C2)CC1 ZINC000639756633 717599281 /nfs/dbraw/zinc/59/92/81/717599281.db2.gz ZRYANYOSWIJXHT-UHFFFAOYSA-N 2 1 364.852 3.447 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](Cc3noc(-c4c(F)cccc4Cl)n3)C2)CC1 ZINC000639756633 717599285 /nfs/dbraw/zinc/59/92/85/717599285.db2.gz ZRYANYOSWIJXHT-UHFFFAOYSA-N 2 1 364.852 3.447 20 0 FGADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000644569544 718126736 /nfs/dbraw/zinc/12/67/36/718126736.db2.gz WXDQAYWZUSOICZ-HNNXBMFYSA-N 2 1 368.319 3.242 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1 ZINC000647330765 718350249 /nfs/dbraw/zinc/35/02/49/718350249.db2.gz NXGBYRTVKLGYFD-QGZVFWFLSA-N 2 1 360.420 3.471 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901192 718385253 /nfs/dbraw/zinc/38/52/53/718385253.db2.gz KQFAPMRUPNOASB-GOEBONIOSA-N 2 1 365.905 3.141 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902059 718385410 /nfs/dbraw/zinc/38/54/10/718385410.db2.gz ZIHIJOCKJJSPPF-BBRMVZONSA-N 2 1 353.869 3.272 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975894 718390877 /nfs/dbraw/zinc/39/08/77/718390877.db2.gz HJDHEIDFNULEOV-KFWWJZLASA-N 2 1 351.441 3.003 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975277 718390928 /nfs/dbraw/zinc/39/09/28/718390928.db2.gz UNVXOSCAAWXEFU-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975277 718390931 /nfs/dbraw/zinc/39/09/31/718390931.db2.gz UNVXOSCAAWXEFU-KBPBESRZSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975699 718391008 /nfs/dbraw/zinc/39/10/08/718391008.db2.gz DTGHEKICNJICFB-QLFBSQMISA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975699 718391011 /nfs/dbraw/zinc/39/10/11/718391011.db2.gz DTGHEKICNJICFB-QLFBSQMISA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975895 718391121 /nfs/dbraw/zinc/39/11/21/718391121.db2.gz HJDHEIDFNULEOV-QLFBSQMISA-N 2 1 351.441 3.003 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647988415 718392855 /nfs/dbraw/zinc/39/28/55/718392855.db2.gz GTUYUACZXAJKMD-MRXNPFEDSA-N 2 1 355.448 3.211 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648563948 718436720 /nfs/dbraw/zinc/43/67/20/718436720.db2.gz KKRZEWWWLKRNKX-UHFFFAOYSA-N 2 1 358.829 3.207 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000649347433 718506256 /nfs/dbraw/zinc/50/62/56/718506256.db2.gz WYSPCIWDEGADAR-KXBFYZLASA-N 2 1 359.901 3.367 20 0 FGADMP C[N@H+]1CCC[C@@H](NC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000650417879 718675469 /nfs/dbraw/zinc/67/54/69/718675469.db2.gz GBRIBWUUWJEVHF-QGZVFWFLSA-N 2 1 362.543 3.090 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(Br)cs3)C2)C1 ZINC000650705269 718716555 /nfs/dbraw/zinc/71/65/55/718716555.db2.gz ASOBALZSUJJYDI-NJZAAPMLSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)cc3)C2)C1 ZINC000650705470 718716840 /nfs/dbraw/zinc/71/68/40/718716840.db2.gz ICAHVLJCADIVBY-UAGQMJEPSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2Br)C1 ZINC000650724058 718721287 /nfs/dbraw/zinc/72/12/87/718721287.db2.gz XRODLVOULKHDRA-OIISXLGYSA-N 2 1 371.294 3.449 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347148 718934928 /nfs/dbraw/zinc/93/49/28/718934928.db2.gz STRSJUAKJAHHOF-ZOBUZTSGSA-N 2 1 361.511 3.430 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000652350832 718935310 /nfs/dbraw/zinc/93/53/10/718935310.db2.gz MKQQWTQGTNYSDO-VBHSOAQHSA-N 2 1 370.324 3.231 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000652350832 718935312 /nfs/dbraw/zinc/93/53/12/718935312.db2.gz MKQQWTQGTNYSDO-VBHSOAQHSA-N 2 1 370.324 3.231 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154587 719018639 /nfs/dbraw/zinc/01/86/39/719018639.db2.gz VWTCPNKZKAUUCA-CLOTWAHHSA-N 2 1 367.896 3.248 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154587 719018641 /nfs/dbraw/zinc/01/86/41/719018641.db2.gz VWTCPNKZKAUUCA-CLOTWAHHSA-N 2 1 367.896 3.248 20 0 FGADMP Cc1nc(-c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2)cs1 ZINC000655700063 719326673 /nfs/dbraw/zinc/32/66/73/719326673.db2.gz COOCLZOISCJJOQ-LJQANCHMSA-N 2 1 357.523 3.461 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccc(Cl)cc1 ZINC000655718389 719329327 /nfs/dbraw/zinc/32/93/27/719329327.db2.gz MXLJIQINKOJFSZ-KXBFYZLASA-N 2 1 352.906 3.340 20 0 FGADMP Clc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)cc1 ZINC000655739144 719332398 /nfs/dbraw/zinc/33/23/98/719332398.db2.gz XSVASZJCAJCHAL-ICSRJNTNSA-N 2 1 363.933 3.152 20 0 FGADMP Brc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655772243 719337635 /nfs/dbraw/zinc/33/76/35/719337635.db2.gz DRSNANBHTOBGBT-KROLTMCQSA-N 2 1 365.315 3.305 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccs1 ZINC000656551350 719407323 /nfs/dbraw/zinc/40/73/23/719407323.db2.gz JPMIUHMDLYHVFJ-RDJZCZTQSA-N 2 1 364.559 3.057 20 0 FGADMP Cc1nn2c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c(C(C)C)nc2s1 ZINC000656783077 719470484 /nfs/dbraw/zinc/47/04/84/719470484.db2.gz NUHPGDDRLGUTEE-MRXNPFEDSA-N 2 1 361.559 3.434 20 0 FGADMP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659946031 719961876 /nfs/dbraw/zinc/96/18/76/719961876.db2.gz YUNFUIZFOXQARZ-QFBILLFUSA-N 2 1 359.539 3.440 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281738 720409449 /nfs/dbraw/zinc/40/94/49/720409449.db2.gz ZTQRLDIOLPALAA-RYUDHWBXSA-N 2 1 357.317 3.169 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292654 720411099 /nfs/dbraw/zinc/41/10/99/720411099.db2.gz HCIJXXXCDSDJSJ-AWEZNQCLSA-N 2 1 368.319 3.064 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292654 720411101 /nfs/dbraw/zinc/41/11/01/720411101.db2.gz HCIJXXXCDSDJSJ-AWEZNQCLSA-N 2 1 368.319 3.064 20 0 FGADMP O=c1[nH]c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000662295799 720411464 /nfs/dbraw/zinc/41/14/64/720411464.db2.gz UOTKGWQQBJQKSH-AWEZNQCLSA-N 2 1 360.889 3.200 20 0 FGADMP O=c1[nH]c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2cc(Cl)ccc21 ZINC000662295799 720411468 /nfs/dbraw/zinc/41/14/68/720411468.db2.gz UOTKGWQQBJQKSH-AWEZNQCLSA-N 2 1 360.889 3.200 20 0 FGADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000662295596 720411630 /nfs/dbraw/zinc/41/16/30/720411630.db2.gz VPORJPYORIBULJ-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297844 720412099 /nfs/dbraw/zinc/41/20/99/720412099.db2.gz SKMOOHUSCAVTJH-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297844 720412100 /nfs/dbraw/zinc/41/21/00/720412100.db2.gz SKMOOHUSCAVTJH-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662431065 720427673 /nfs/dbraw/zinc/42/76/73/720427673.db2.gz YMTTYQBSAFXHPA-MRXNPFEDSA-N 2 1 358.313 3.102 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459539 720430881 /nfs/dbraw/zinc/43/08/81/720430881.db2.gz IYUGTOIUWBDYBU-HOTGVXAUSA-N 2 1 361.555 3.120 20 0 FGADMP C[C@@H](CCNC(=O)c1cc2c(s1)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000662485196 720433663 /nfs/dbraw/zinc/43/36/63/720433663.db2.gz DPXREKHJGVSONQ-HNNXBMFYSA-N 2 1 357.523 3.034 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662564668 720441860 /nfs/dbraw/zinc/44/18/60/720441860.db2.gz SPIHJSHYGCGENU-XHBSWPGZSA-N 2 1 358.313 3.135 20 0 FGADMP CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663451458 720516269 /nfs/dbraw/zinc/51/62/69/720516269.db2.gz ROINEKKUYBCIMN-IAGOWNOFSA-N 2 1 364.559 3.011 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554068 720784872 /nfs/dbraw/zinc/78/48/72/720784872.db2.gz FFMJEZXRDYNJCX-SJORKVTESA-N 2 1 366.937 3.115 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667564518 721129261 /nfs/dbraw/zinc/12/92/61/721129261.db2.gz OLTXEYAJGKEMMO-CALCHBBNSA-N 2 1 358.555 3.287 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667564518 721129264 /nfs/dbraw/zinc/12/92/64/721129264.db2.gz OLTXEYAJGKEMMO-CALCHBBNSA-N 2 1 358.555 3.287 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC(C)([NH3+])CC1)c1ccc(Cl)cc1 ZINC000669583613 721468859 /nfs/dbraw/zinc/46/88/59/721468859.db2.gz HEEUQYJXUNIOEX-KRWDZBQOSA-N 2 1 366.937 3.246 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000674047990 721681138 /nfs/dbraw/zinc/68/11/38/721681138.db2.gz VUETZEACXXSLGT-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000674047990 721681140 /nfs/dbraw/zinc/68/11/40/721681140.db2.gz VUETZEACXXSLGT-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047990 721681141 /nfs/dbraw/zinc/68/11/41/721681141.db2.gz VUETZEACXXSLGT-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047990 721681143 /nfs/dbraw/zinc/68/11/43/721681143.db2.gz VUETZEACXXSLGT-HZSPNIEDSA-N 2 1 361.313 3.148 20 0 FGADMP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000675637313 721764337 /nfs/dbraw/zinc/76/43/37/721764337.db2.gz LOLUGXNKOSBHHG-MRXNPFEDSA-N 2 1 363.571 3.286 20 0 FGADMP CN(C(=O)c1ccc(C(C)(C)C)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000675637313 721764341 /nfs/dbraw/zinc/76/43/41/721764341.db2.gz LOLUGXNKOSBHHG-MRXNPFEDSA-N 2 1 363.571 3.286 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000675821892 721776118 /nfs/dbraw/zinc/77/61/18/721776118.db2.gz OWVVMLYLHHAPKY-APWZRJJASA-N 2 1 363.933 3.285 20 0 FGADMP Cc1nc([C@H](C)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000676489017 721808934 /nfs/dbraw/zinc/80/89/34/721808934.db2.gz GWCZHTRXTQNMRT-HNNXBMFYSA-N 2 1 359.543 3.018 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000677237453 721874584 /nfs/dbraw/zinc/87/45/84/721874584.db2.gz ILCHYNMUTNTGCT-SQNIBIBYSA-N 2 1 361.555 3.018 20 0 FGADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)N1CCc2sccc2C1 ZINC000677237453 721874586 /nfs/dbraw/zinc/87/45/86/721874586.db2.gz ILCHYNMUTNTGCT-SQNIBIBYSA-N 2 1 361.555 3.018 20 0 FGADMP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000677242021 721876268 /nfs/dbraw/zinc/87/62/68/721876268.db2.gz WFGBJSPQODZEJD-PMPSAXMXSA-N 2 1 351.441 3.083 20 0 FGADMP CC(C)(C)c1nn(-c2ccccc2Cl)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343119 721953045 /nfs/dbraw/zinc/95/30/45/721953045.db2.gz MQJPWJFMAKIXNO-GJZGRUSLSA-N 2 1 358.917 3.474 20 0 FGADMP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000681393344 722202959 /nfs/dbraw/zinc/20/29/59/722202959.db2.gz VMHJDDKTFHDKBD-UHFFFAOYSA-N 2 1 370.335 3.419 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]cc2Br)CC1 ZINC000681393344 722202961 /nfs/dbraw/zinc/20/29/61/722202961.db2.gz VMHJDDKTFHDKBD-UHFFFAOYSA-N 2 1 370.335 3.419 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709486861 722413194 /nfs/dbraw/zinc/41/31/94/722413194.db2.gz NWJIFFHXSJMTOS-FJIDUMEYSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000790748936 723173044 /nfs/dbraw/zinc/17/30/44/723173044.db2.gz RSYCUQSKSSUSCO-AWEZNQCLSA-N 2 1 374.497 3.456 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1([NH+](C)C)CCCCC1 ZINC000764594282 723428275 /nfs/dbraw/zinc/42/82/75/723428275.db2.gz NBYGKYVNRUZKNM-AWEZNQCLSA-N 2 1 352.910 3.306 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)[C@@H](C)C1 ZINC000765259995 723499283 /nfs/dbraw/zinc/49/92/83/723499283.db2.gz QDAGHBSLWZCJCA-ZYSHUDEJSA-N 2 1 354.922 3.100 20 0 FGADMP CN(CC[N@H+](C)Cc1cc2ccccc2c(Cl)n1)C1CC[NH+](C)CC1 ZINC000794562201 723531268 /nfs/dbraw/zinc/53/12/68/723531268.db2.gz ZUAKWACWGKQSKP-UHFFFAOYSA-N 2 1 360.933 3.346 20 0 FGADMP CN(CC[N@@H+](C)Cc1cc2ccccc2c(Cl)n1)C1CC[NH+](C)CC1 ZINC000794562201 723531270 /nfs/dbraw/zinc/53/12/70/723531270.db2.gz ZUAKWACWGKQSKP-UHFFFAOYSA-N 2 1 360.933 3.346 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C ZINC000766250300 723564593 /nfs/dbraw/zinc/56/45/93/723564593.db2.gz KUCZVPDUPXMOAM-KXBFYZLASA-N 2 1 350.507 3.255 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000796947185 723660436 /nfs/dbraw/zinc/66/04/36/723660436.db2.gz IXFSCVZLNQQOFE-OWSLCNJRSA-N 2 1 351.535 3.238 20 0 FGADMP Brc1ccoc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000769506280 723688007 /nfs/dbraw/zinc/68/80/07/723688007.db2.gz QWUVLOOOGZQZIB-UHFFFAOYSA-N 2 1 357.292 3.119 20 0 FGADMP C[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000797981649 723894943 /nfs/dbraw/zinc/89/49/43/723894943.db2.gz SDEZEVVVBYUREZ-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799176901 723995250 /nfs/dbraw/zinc/99/52/50/723995250.db2.gz FJPPDFCUSABZON-INIZCTEOSA-N 2 1 363.933 3.153 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CCS2 ZINC000786581039 724990080 /nfs/dbraw/zinc/99/00/80/724990080.db2.gz RWLRXXZVZMXTSL-PKOBYXMFSA-N 2 1 362.539 3.465 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000812715597 726806105 /nfs/dbraw/zinc/80/61/05/726806105.db2.gz LVKOVNWZAFCECO-QAPCUYQASA-N 2 1 351.535 3.238 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000812720100 726806587 /nfs/dbraw/zinc/80/65/87/726806587.db2.gz YSMHHPPCXGAXQY-KZNAEPCWSA-N 2 1 353.551 3.344 20 0 FGADMP C[N@@H+](CCCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1CC1 ZINC000819362751 727371126 /nfs/dbraw/zinc/37/11/26/727371126.db2.gz RDAGLRXDIDYRBD-KRWDZBQOSA-N 2 1 373.310 3.260 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@H](O)CC(F)(F)F)cc2)CC1 ZINC000819443752 727375912 /nfs/dbraw/zinc/37/59/12/727375912.db2.gz BUMOPQDLWKEODP-QGZVFWFLSA-N 2 1 359.436 3.190 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000820821819 729034607 /nfs/dbraw/zinc/03/46/07/729034607.db2.gz KFJAKADNFPWTFQ-ZDUSSCGKSA-N 2 1 374.501 3.395 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(SC(F)F)c1 ZINC000820821819 729034612 /nfs/dbraw/zinc/03/46/12/729034612.db2.gz KFJAKADNFPWTFQ-ZDUSSCGKSA-N 2 1 374.501 3.395 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822463649 729177713 /nfs/dbraw/zinc/17/77/13/729177713.db2.gz HRAFATYBOMXLRI-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823394992 729275619 /nfs/dbraw/zinc/27/56/19/729275619.db2.gz ICCVIHDCTCGUIF-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)CC1 ZINC000823394992 729275620 /nfs/dbraw/zinc/27/56/20/729275620.db2.gz ICCVIHDCTCGUIF-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823614230 729292498 /nfs/dbraw/zinc/29/24/98/729292498.db2.gz PCHNNMNDIPLLQS-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000823818569 729306604 /nfs/dbraw/zinc/30/66/04/729306604.db2.gz IDKUGTHSHPXXQS-MSOLQXFVSA-N 2 1 355.567 3.493 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000824993115 729367107 /nfs/dbraw/zinc/36/71/07/729367107.db2.gz NUEOFTYUUZFXDX-OKZBNKHCSA-N 2 1 351.535 3.383 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827104019 729424396 /nfs/dbraw/zinc/42/43/96/729424396.db2.gz UHWNERIQLPKQDS-RHSMWYFYSA-N 2 1 366.937 3.062 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828049291 729439228 /nfs/dbraw/zinc/43/92/28/729439228.db2.gz QPIFBAHEGVMNIG-SJORKVTESA-N 2 1 366.937 3.204 20 0 FGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508754 729808442 /nfs/dbraw/zinc/80/84/42/729808442.db2.gz QGJVHUTVIFZPAZ-NXHRZFHOSA-N 2 1 351.535 3.238 20 0 FGADMP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccccc1SC(F)F ZINC000843386765 730612492 /nfs/dbraw/zinc/61/24/92/730612492.db2.gz NHYLYSMGDTVLFP-UHFFFAOYSA-N 2 1 355.454 3.015 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398032 730614414 /nfs/dbraw/zinc/61/44/14/730614414.db2.gz RWMWMVAUXHXNBE-INMHGKMJSA-N 2 1 350.507 3.063 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1F)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000844925837 730790349 /nfs/dbraw/zinc/79/03/49/730790349.db2.gz VNHSCIOZQVEQGG-LLVKDONJSA-N 2 1 372.412 3.132 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2ccccc2s1 ZINC000848533116 731176637 /nfs/dbraw/zinc/17/66/37/731176637.db2.gz OEHLUNZXWKESHR-QZTJIDSGSA-N 2 1 360.523 3.168 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1nc2cc(Cl)ccc2s1 ZINC000849057681 731225028 /nfs/dbraw/zinc/22/50/28/731225028.db2.gz IYUAPWFOJAVVHO-ZDUSSCGKSA-N 2 1 365.934 3.090 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000849078022 731226781 /nfs/dbraw/zinc/22/67/81/731226781.db2.gz FIEGNNUIQWFIRQ-NSHDSACASA-N 2 1 364.362 3.082 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853084190 731662243 /nfs/dbraw/zinc/66/22/43/731662243.db2.gz AXXUQMXKUFEAEY-QGZVFWFLSA-N 2 1 351.535 3.098 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[C@@H]3SCCS[C@H]23)cc1 ZINC000854225033 731806199 /nfs/dbraw/zinc/80/61/99/731806199.db2.gz VFRLDIHXZUHUQK-FLXSYLCISA-N 2 1 352.544 3.240 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590887 732039306 /nfs/dbraw/zinc/03/93/06/732039306.db2.gz DFGGDQQMXQIMST-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590887 732039312 /nfs/dbraw/zinc/03/93/12/732039312.db2.gz DFGGDQQMXQIMST-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590887 732039317 /nfs/dbraw/zinc/03/93/17/732039317.db2.gz DFGGDQQMXQIMST-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590887 732039321 /nfs/dbraw/zinc/03/93/21/732039321.db2.gz DFGGDQQMXQIMST-SFHVURJKSA-N 2 1 360.889 3.235 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cscn3)C2)ccn1 ZINC000856604279 732040689 /nfs/dbraw/zinc/04/06/89/732040689.db2.gz LPJQHCOQBGRIST-LJQANCHMSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cscn3)C2)ccn1 ZINC000856604279 732040691 /nfs/dbraw/zinc/04/06/91/732040691.db2.gz LPJQHCOQBGRIST-LJQANCHMSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cscn3)C2)ccn1 ZINC000856604279 732040694 /nfs/dbraw/zinc/04/06/94/732040694.db2.gz LPJQHCOQBGRIST-LJQANCHMSA-N 2 1 360.527 3.074 20 0 FGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858089122 732179235 /nfs/dbraw/zinc/17/92/35/732179235.db2.gz GLMQUNMLXMVAOX-UHFFFAOYSA-N 2 1 365.319 3.314 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490993 732220078 /nfs/dbraw/zinc/22/00/78/732220078.db2.gz UTUVXMJTPJYWRN-ZIAGYGMSSA-N 2 1 360.470 3.065 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490993 732220085 /nfs/dbraw/zinc/22/00/85/732220085.db2.gz UTUVXMJTPJYWRN-ZIAGYGMSSA-N 2 1 360.470 3.065 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2Cl)cc1 ZINC000859214147 732290768 /nfs/dbraw/zinc/29/07/68/732290768.db2.gz MSRAWVZDXQXXHG-GOSISDBHSA-N 2 1 362.901 3.273 20 0 FGADMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC[Si](C)(C)CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000859268959 732301142 /nfs/dbraw/zinc/30/11/42/732301142.db2.gz RIRKYXBESOHXRK-YFYQMDMQSA-N 2 1 370.654 3.162 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034695 732437679 /nfs/dbraw/zinc/43/76/79/732437679.db2.gz RPTQYMJHWFXUEN-FFZOFVMBSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034695 732437682 /nfs/dbraw/zinc/43/76/82/732437682.db2.gz RPTQYMJHWFXUEN-FFZOFVMBSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034695 732437684 /nfs/dbraw/zinc/43/76/84/732437684.db2.gz RPTQYMJHWFXUEN-FFZOFVMBSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@H](c1ccccc1Br)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590736 733371388 /nfs/dbraw/zinc/37/13/88/733371388.db2.gz UXGCUBMEMQEJOX-OAHLLOKOSA-N 2 1 366.347 3.222 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911020 733901449 /nfs/dbraw/zinc/90/14/49/733901449.db2.gz PYUJYBWPUIILRG-ADOMEBDSSA-N 2 1 367.896 3.106 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)C1 ZINC000872025760 735578045 /nfs/dbraw/zinc/57/80/45/735578045.db2.gz SPABTKCTRWWJGC-KYJSFNMBSA-N 2 1 367.331 3.458 20 0 FGADMP CCS[C@@H](C)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872176313 735600221 /nfs/dbraw/zinc/60/02/21/735600221.db2.gz SFHUVQPDBXYPTD-HNNXBMFYSA-N 2 1 360.527 3.420 20 0 FGADMP C[NH+]1CCN(CCCC[NH2+]Cc2cccc(Cl)c2Br)CC1 ZINC000873012121 735709726 /nfs/dbraw/zinc/70/97/26/735709726.db2.gz NGPXXLSRXGKVNO-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP COCCOCC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccccc1 ZINC000873207057 735737854 /nfs/dbraw/zinc/73/78/54/735737854.db2.gz IIOOHWSOASGBKH-UHFFFAOYSA-N 2 1 360.523 3.059 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(Cl)nn3)CC2)cs1 ZINC000877039465 736178762 /nfs/dbraw/zinc/17/87/62/736178762.db2.gz GQNDPNILGZYZFR-UHFFFAOYSA-N 2 1 365.934 3.151 20 0 FGADMP C[S@@](=O)CCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877051993 736181209 /nfs/dbraw/zinc/18/12/09/736181209.db2.gz QCRVPECTDCKQMU-GBXCKJPGSA-N 2 1 350.572 3.283 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3cc(Cl)cc4cccnc43)CC2)CC1 ZINC000877747395 736713337 /nfs/dbraw/zinc/71/33/37/736713337.db2.gz JTXFMIGONADZOQ-UHFFFAOYSA-N 2 1 358.917 3.100 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018393 736758950 /nfs/dbraw/zinc/75/89/50/736758950.db2.gz VTKNJJMWHWEAMZ-PMACEKPBSA-N 2 1 350.547 3.016 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411586 736828090 /nfs/dbraw/zinc/82/80/90/736828090.db2.gz LVMDSQILNXDVMU-NLWGTHIKSA-N 2 1 350.547 3.205 20 0 FGADMP CC[NH+]1CCC(N2CCCN(Cc3ccc(C)c(Cl)n3)CC2)CC1 ZINC000878722501 736911136 /nfs/dbraw/zinc/91/11/36/736911136.db2.gz WINXJOKFFBZOKJ-UHFFFAOYSA-N 2 1 350.938 3.035 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878721227 736911188 /nfs/dbraw/zinc/91/11/88/736911188.db2.gz FLXDEPDFFPJPHQ-GOSISDBHSA-N 2 1 351.579 3.072 20 0 FGADMP CCN(C)Cc1cc(O[C@H]2CCN(Cc3scnc3Cl)C2)ccn1 ZINC000879019039 736946732 /nfs/dbraw/zinc/94/67/32/736946732.db2.gz MWEQHHINZRDDPH-HNNXBMFYSA-N 2 1 366.918 3.297 20 0 FGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000880254835 737142596 /nfs/dbraw/zinc/14/25/96/737142596.db2.gz PIWGXJZDIGCKFY-LJQANCHMSA-N 2 1 350.547 3.303 20 0 FGADMP O=c1oc2ccc(C[NH2+]C[C@@H]3CCC[N@H+](Cc4cccs4)C3)cc2o1 ZINC000882944516 737505414 /nfs/dbraw/zinc/50/54/14/737505414.db2.gz KJSCDVNIIORUGC-HNNXBMFYSA-N 2 1 358.463 3.449 20 0 FGADMP O=c1oc2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](Cc4cccs4)C3)cc2o1 ZINC000882944516 737505417 /nfs/dbraw/zinc/50/54/17/737505417.db2.gz KJSCDVNIIORUGC-HNNXBMFYSA-N 2 1 358.463 3.449 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[C@@H]1c1cccs1 ZINC000885999299 739208450 /nfs/dbraw/zinc/20/84/50/739208450.db2.gz HCHCTEGRDNQVQC-ZHALLVOQSA-N 2 1 364.555 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[C@@H]1c1cccs1 ZINC000885999299 739208452 /nfs/dbraw/zinc/20/84/52/739208452.db2.gz HCHCTEGRDNQVQC-ZHALLVOQSA-N 2 1 364.555 3.449 20 0 FGADMP C(CC[NH+]1CC[C@@H]([C@@H]2CCCO2)C1)CC[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886821425 739306245 /nfs/dbraw/zinc/30/62/45/739306245.db2.gz BXNWIMKDBQGJDK-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821425 739306252 /nfs/dbraw/zinc/30/62/52/739306252.db2.gz BXNWIMKDBQGJDK-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]([C@@H]2CCCO2)C1)CC[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886821425 739306258 /nfs/dbraw/zinc/30/62/58/739306258.db2.gz BXNWIMKDBQGJDK-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000892516872 740011007 /nfs/dbraw/zinc/01/10/07/740011007.db2.gz QBKPOVNMTUJXFN-RBSFLKMASA-N 2 1 352.441 3.217 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000892584495 740019857 /nfs/dbraw/zinc/01/98/57/740019857.db2.gz KXIPLUOAMNSSQT-OKZBNKHCSA-N 2 1 353.551 3.391 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045775 742230882 /nfs/dbraw/zinc/23/08/82/742230882.db2.gz RLXXLBLLEBGOSK-KFWWJZLASA-N 2 1 363.493 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045775 742230885 /nfs/dbraw/zinc/23/08/85/742230885.db2.gz RLXXLBLLEBGOSK-KFWWJZLASA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045775 742230887 /nfs/dbraw/zinc/23/08/87/742230887.db2.gz RLXXLBLLEBGOSK-KFWWJZLASA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045775 742230888 /nfs/dbraw/zinc/23/08/88/742230888.db2.gz RLXXLBLLEBGOSK-KFWWJZLASA-N 2 1 363.493 3.340 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045777 742230996 /nfs/dbraw/zinc/23/09/96/742230996.db2.gz RLXXLBLLEBGOSK-KKUMJFAQSA-N 2 1 363.493 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045777 742230999 /nfs/dbraw/zinc/23/09/99/742230999.db2.gz RLXXLBLLEBGOSK-KKUMJFAQSA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045777 742231001 /nfs/dbraw/zinc/23/10/01/742231001.db2.gz RLXXLBLLEBGOSK-KKUMJFAQSA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000894045777 742231002 /nfs/dbraw/zinc/23/10/02/742231002.db2.gz RLXXLBLLEBGOSK-KKUMJFAQSA-N 2 1 363.493 3.340 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C(F)(F)F)c1 ZINC000894174078 742248904 /nfs/dbraw/zinc/24/89/04/742248904.db2.gz TZVSILHYKGKCNW-GFCCVEGCSA-N 2 1 356.388 3.066 20 0 FGADMP FC(F)(F)Oc1ccc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c2c1 ZINC000899874662 743021628 /nfs/dbraw/zinc/02/16/28/743021628.db2.gz HWPYKTPIZHUFIF-UHFFFAOYSA-N 2 1 355.360 3.268 20 0 FGADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900435545 743112200 /nfs/dbraw/zinc/11/22/00/743112200.db2.gz PKNBIYCNCFPYPY-IEBWSBKVSA-N 2 1 361.555 3.093 20 0 FGADMP Cc1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1Br ZINC000902611379 743762634 /nfs/dbraw/zinc/76/26/34/743762634.db2.gz BWZJRVAXFUVEJN-AGUYFDCRSA-N 2 1 367.291 3.024 20 0 FGADMP Cc1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cnc1Br ZINC000902611379 743762640 /nfs/dbraw/zinc/76/26/40/743762640.db2.gz BWZJRVAXFUVEJN-AGUYFDCRSA-N 2 1 367.291 3.024 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)ccc1Br ZINC000902621334 743763528 /nfs/dbraw/zinc/76/35/28/743763528.db2.gz FTONBBNRFYDPIL-UHFFFAOYSA-N 2 1 373.092 3.277 20 0 FGADMP COC(=O)c1ccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1 ZINC000903500226 743856327 /nfs/dbraw/zinc/85/63/27/743856327.db2.gz WVFWQDOWEYATKA-CZUORRHYSA-N 2 1 359.495 3.013 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)nc1C ZINC000903781965 743883384 /nfs/dbraw/zinc/88/33/84/743883384.db2.gz YFYWTBJZFGCBRR-OAHLLOKOSA-N 2 1 365.543 3.197 20 0 FGADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878498 743892706 /nfs/dbraw/zinc/89/27/06/743892706.db2.gz WGQQNMRPKQEWCT-GJZGRUSLSA-N 2 1 357.527 3.149 20 0 FGADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878498 743892709 /nfs/dbraw/zinc/89/27/09/743892709.db2.gz WGQQNMRPKQEWCT-GJZGRUSLSA-N 2 1 357.527 3.149 20 0 FGADMP O=C(Nc1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2)C(F)(F)F ZINC000903933610 743900290 /nfs/dbraw/zinc/90/02/90/743900290.db2.gz SYLWXPKTCOUIGE-PHTAMDTFSA-N 2 1 353.388 3.034 20 0 FGADMP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756949 762159623 /nfs/dbraw/zinc/15/96/23/762159623.db2.gz NNUOFPLKLHVQAE-KBAYOESNSA-N 2 1 363.571 3.113 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756949 762159627 /nfs/dbraw/zinc/15/96/27/762159627.db2.gz NNUOFPLKLHVQAE-KBAYOESNSA-N 2 1 363.571 3.113 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C(C)(C)C2)cs1 ZINC000940756949 762159633 /nfs/dbraw/zinc/15/96/33/762159633.db2.gz NNUOFPLKLHVQAE-KBAYOESNSA-N 2 1 363.571 3.113 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000918122719 758305336 /nfs/dbraw/zinc/30/53/36/758305336.db2.gz VLGLFDXIZFVFQM-MAUKXSAKSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921608946 758756061 /nfs/dbraw/zinc/75/60/61/758756061.db2.gz WOCASVALYIUEFM-UHFFFAOYSA-N 2 1 351.292 3.302 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921608946 758756066 /nfs/dbraw/zinc/75/60/66/758756066.db2.gz WOCASVALYIUEFM-UHFFFAOYSA-N 2 1 351.292 3.302 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921685715 758770480 /nfs/dbraw/zinc/77/04/80/758770480.db2.gz KVZSUXGYUXCOHE-HYVNUMGLSA-N 2 1 350.507 3.111 20 0 FGADMP CSCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000921979053 758832526 /nfs/dbraw/zinc/83/25/26/758832526.db2.gz BPNOKZVXROKQET-NRFANRHFSA-N 2 1 356.535 3.406 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386759 758909345 /nfs/dbraw/zinc/90/93/45/758909345.db2.gz IHGWDKNHIQNPEE-YFHUEUNASA-N 2 1 374.497 3.305 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)c(F)c3)C2)[C@@H]1C(C)C ZINC000922395340 758913819 /nfs/dbraw/zinc/91/38/19/758913819.db2.gz VMRVIQOTTLAANZ-ZAWLATJESA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@@H]1C(C)C ZINC000922393944 758913915 /nfs/dbraw/zinc/91/39/15/758913915.db2.gz NZUFPCJHLQTGJL-IZBJGVDFSA-N 2 1 365.587 3.301 20 0 FGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl)C1CCCCC1 ZINC000923372912 759106973 /nfs/dbraw/zinc/10/69/73/759106973.db2.gz KIFUAURFWWSCJB-ZBFHGGJFSA-N 2 1 361.313 3.230 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@H]1C[NH3+] ZINC000923496374 759132463 /nfs/dbraw/zinc/13/24/63/759132463.db2.gz BPBWOQLDKYCFLX-YPMHNXCESA-N 2 1 354.376 3.172 20 0 FGADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923501936 759133552 /nfs/dbraw/zinc/13/35/52/759133552.db2.gz XGUQEUOWDMVDER-PMPSAXMXSA-N 2 1 364.559 3.114 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)C1 ZINC000924688997 759372334 /nfs/dbraw/zinc/37/23/34/759372334.db2.gz WDVIETMTJWTWRQ-WWDZGPRUSA-N 2 1 353.551 3.391 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964159 759424615 /nfs/dbraw/zinc/42/46/15/759424615.db2.gz JKMHVSQVSQPWHF-VXGBXAGGSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964159 759424621 /nfs/dbraw/zinc/42/46/21/759424621.db2.gz JKMHVSQVSQPWHF-VXGBXAGGSA-N 2 1 363.449 3.005 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000925012944 759431356 /nfs/dbraw/zinc/43/13/56/759431356.db2.gz XZHOPQKFRUWQBH-MRXNPFEDSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3c(Cl)ccnc32)ccn1 ZINC000925656382 759518722 /nfs/dbraw/zinc/51/87/22/759518722.db2.gz ZUJNZWUUMCSWLH-QGZVFWFLSA-N 2 1 360.889 3.238 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925786660 759539554 /nfs/dbraw/zinc/53/95/54/759539554.db2.gz XRSGIWGTNYGWBX-DZGCQCFKSA-N 2 1 354.445 3.112 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)[C@H]1C(C)C ZINC000926881106 759837158 /nfs/dbraw/zinc/83/71/58/759837158.db2.gz SPHUJNBLWXGACN-PNDFQMOFSA-N 2 1 363.933 3.182 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927039504 759880951 /nfs/dbraw/zinc/88/09/51/759880951.db2.gz UPRIPBYDIBUVFQ-QEMIJWRASA-N 3 1 351.579 3.120 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]C2CCC(C)([NH+]3CCC3)CC2)[C@@H](C)C1 ZINC000927039504 759880960 /nfs/dbraw/zinc/88/09/60/759880960.db2.gz UPRIPBYDIBUVFQ-QEMIJWRASA-N 2 1 351.579 3.120 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848036 760469926 /nfs/dbraw/zinc/46/99/26/760469926.db2.gz OWHPNQSHPYIRBY-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848036 760469933 /nfs/dbraw/zinc/46/99/33/760469933.db2.gz OWHPNQSHPYIRBY-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H]3CC[C@H](NC(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000929848036 760469937 /nfs/dbraw/zinc/46/99/37/760469937.db2.gz OWHPNQSHPYIRBY-OWSLCNJRSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931441840 760863007 /nfs/dbraw/zinc/86/30/07/760863007.db2.gz ZOMGCMPRXFQGQI-OLZOCXBDSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931441840 760863021 /nfs/dbraw/zinc/86/30/21/760863021.db2.gz ZOMGCMPRXFQGQI-OLZOCXBDSA-N 2 1 356.297 3.206 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)C[C@@H]2C1 ZINC000931441840 760863033 /nfs/dbraw/zinc/86/30/33/760863033.db2.gz ZOMGCMPRXFQGQI-OLZOCXBDSA-N 2 1 356.297 3.206 20 0 FGADMP C[C@@H](c1ncc(-c2ccc(Cl)cc2)o1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931483002 760873303 /nfs/dbraw/zinc/87/33/03/760873303.db2.gz UBWSBUOKVBEZBZ-AWEZNQCLSA-N 2 1 363.889 3.445 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000932209294 761088231 /nfs/dbraw/zinc/08/82/31/761088231.db2.gz VFDXUQRSNOHKCR-OAHLLOKOSA-N 2 1 350.260 3.458 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932708145 761225188 /nfs/dbraw/zinc/22/51/88/761225188.db2.gz MUJXHHBGMOPBKS-RDJZCZTQSA-N 2 1 350.507 3.064 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](CNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000932708145 761225193 /nfs/dbraw/zinc/22/51/93/761225193.db2.gz MUJXHHBGMOPBKS-RDJZCZTQSA-N 2 1 350.507 3.064 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000960642571 762736611 /nfs/dbraw/zinc/73/66/11/762736611.db2.gz QZJQIWXDQNVAJA-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000960642571 762736617 /nfs/dbraw/zinc/73/66/17/762736617.db2.gz QZJQIWXDQNVAJA-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000960642571 762736621 /nfs/dbraw/zinc/73/66/21/762736621.db2.gz QZJQIWXDQNVAJA-AYOQOUSVSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3sccc3Cl)CC2(C)C)CC[N@@H+]1C ZINC000974604714 763035108 /nfs/dbraw/zinc/03/51/08/763035108.db2.gz JUAQYANXYKYNBZ-XJKCOSOUSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3sccc3Cl)CC2(C)C)CC[N@H+]1C ZINC000974604714 763035115 /nfs/dbraw/zinc/03/51/15/763035115.db2.gz JUAQYANXYKYNBZ-XJKCOSOUSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3sccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974604714 763035127 /nfs/dbraw/zinc/03/51/27/763035127.db2.gz JUAQYANXYKYNBZ-XJKCOSOUSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3sccc3Cl)CC2(C)C)CC[NH+]1C ZINC000974604714 763035131 /nfs/dbraw/zinc/03/51/31/763035131.db2.gz JUAQYANXYKYNBZ-XJKCOSOUSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC000997793719 765083963 /nfs/dbraw/zinc/08/39/63/765083963.db2.gz UUSMEAIRTVQDFH-RBUKOAKNSA-N 2 1 363.571 3.115 20 0 FGADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002859688 765348633 /nfs/dbraw/zinc/34/86/33/765348633.db2.gz DDZQEOFUOBZLKZ-IIDMSEBBSA-N 2 1 363.933 3.322 20 0 FGADMP Cc1cc(C[NH+](C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)cs1 ZINC001017132550 765830646 /nfs/dbraw/zinc/83/06/46/765830646.db2.gz LGIQWHIYDYNBDK-ZIFCJYIRSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(C[N@@H+](C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001017132550 765830655 /nfs/dbraw/zinc/83/06/55/765830655.db2.gz LGIQWHIYDYNBDK-ZIFCJYIRSA-N 2 1 363.571 3.067 20 0 FGADMP Cc1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cs1 ZINC001017132550 765830661 /nfs/dbraw/zinc/83/06/61/765830661.db2.gz LGIQWHIYDYNBDK-ZIFCJYIRSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]Cc3ccsc3)CC2)CC[N@H+]1C ZINC001029101924 766142043 /nfs/dbraw/zinc/14/20/43/766142043.db2.gz QZCUNMMMLKSQCS-AYOQOUSVSA-N 2 1 363.571 3.195 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001034647583 766243636 /nfs/dbraw/zinc/24/36/36/766243636.db2.gz MNKNOEOGAJYCOX-IXYNUQLISA-N 2 1 369.962 3.259 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001045781341 766572858 /nfs/dbraw/zinc/57/28/58/766572858.db2.gz HKSMGBYMFWYHFU-YDZRNGNQSA-N 2 1 361.555 3.044 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046329807 766584436 /nfs/dbraw/zinc/58/44/36/766584436.db2.gz RZCSLKPIEROARP-QINHECLXSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329807 766584442 /nfs/dbraw/zinc/58/44/42/766584442.db2.gz RZCSLKPIEROARP-QINHECLXSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046329807 766584448 /nfs/dbraw/zinc/58/44/48/766584448.db2.gz RZCSLKPIEROARP-QINHECLXSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C3CC[NH+](C/C=C\Cl)CC3)C2)CC[N@H+]1C ZINC001047243191 766632482 /nfs/dbraw/zinc/63/24/82/766632482.db2.gz XLTMUDFBSUNZER-PIDDPAKVSA-N 2 1 367.965 3.030 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C2CCCCCC2)c1 ZINC000048778142 257344172 /nfs/dbraw/zinc/34/41/72/257344172.db2.gz NIPPOOUMTGEQKI-UHFFFAOYSA-N 2 1 359.514 3.160 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000333449596 257388498 /nfs/dbraw/zinc/38/84/98/257388498.db2.gz NIBSIVINCLBRAO-SFHVURJKSA-N 2 1 359.518 3.096 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC(c2cnc[nH]2)CC1 ZINC000333449596 257388500 /nfs/dbraw/zinc/38/85/00/257388500.db2.gz NIBSIVINCLBRAO-SFHVURJKSA-N 2 1 359.518 3.096 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CCC[C@H](C[NH3+])C3)c2)cc1 ZINC000570801399 505584226 /nfs/dbraw/zinc/58/42/26/505584226.db2.gz NKLBNYCVPOTWLV-QGZVFWFLSA-N 2 1 353.466 3.118 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651575 505587612 /nfs/dbraw/zinc/58/76/12/505587612.db2.gz KPPBWUZYQLRUJQ-FPOVZHCZSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573651575 505587615 /nfs/dbraw/zinc/58/76/15/505587615.db2.gz KPPBWUZYQLRUJQ-FPOVZHCZSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573651575 505587618 /nfs/dbraw/zinc/58/76/18/505587618.db2.gz KPPBWUZYQLRUJQ-FPOVZHCZSA-N 2 1 374.573 3.318 20 0 FGADMP CCC[N@H+](Cc1snnc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000576827743 505604155 /nfs/dbraw/zinc/60/41/55/505604155.db2.gz ZVJKBUDUCQPWJA-UHFFFAOYSA-N 2 1 360.531 3.134 20 0 FGADMP CCC[N@@H+](Cc1snnc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000576827743 505604160 /nfs/dbraw/zinc/60/41/60/505604160.db2.gz ZVJKBUDUCQPWJA-UHFFFAOYSA-N 2 1 360.531 3.134 20 0 FGADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000568050919 505604207 /nfs/dbraw/zinc/60/42/07/505604207.db2.gz NBHZTTYOXABLQA-PIGZYNQJSA-N 2 1 353.919 3.393 20 0 FGADMP O=C1CCCN1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000579732986 505610374 /nfs/dbraw/zinc/61/03/74/505610374.db2.gz FZRKORZDMSPENP-YADHBBJMSA-N 2 1 369.553 3.217 20 0 FGADMP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)CC1 ZINC000576857304 505611111 /nfs/dbraw/zinc/61/11/11/505611111.db2.gz ZLMLUYIHRZXRBP-UHFFFAOYSA-N 2 1 372.456 3.312 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000579746313 505611677 /nfs/dbraw/zinc/61/16/77/505611677.db2.gz OCLJPIBLZNSBMI-PGRDOPGGSA-N 2 1 365.521 3.041 20 0 FGADMP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000579768694 505616241 /nfs/dbraw/zinc/61/62/41/505616241.db2.gz QIANEGNXBUTBGC-XLIONFOSSA-N 2 1 355.526 3.156 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836231 505630071 /nfs/dbraw/zinc/63/00/71/505630071.db2.gz GCNYOUIIYGKHGW-LEWJYISDSA-N 2 1 362.521 3.429 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C3(CC3)C1)C2 ZINC000579836231 505630075 /nfs/dbraw/zinc/63/00/75/505630075.db2.gz GCNYOUIIYGKHGW-LEWJYISDSA-N 2 1 362.521 3.429 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000571007027 505631192 /nfs/dbraw/zinc/63/11/92/505631192.db2.gz UQBGKMVKMGWUPT-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000571007027 505631196 /nfs/dbraw/zinc/63/11/96/505631196.db2.gz UQBGKMVKMGWUPT-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP Clc1ccc([C@@H](C2CCOCC2)N2CCN(Cc3ncc[nH]3)CC2)cc1 ZINC000579854917 505633453 /nfs/dbraw/zinc/63/34/53/505633453.db2.gz PCDATUBCMXXLJU-FQEVSTJZSA-N 2 1 374.916 3.349 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC(C)C)nc3)CC2)CC1 ZINC000568194760 505641246 /nfs/dbraw/zinc/64/12/46/505641246.db2.gz RZEUHJXJGJUUOJ-UHFFFAOYSA-N 2 1 374.529 3.004 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000579946938 505650863 /nfs/dbraw/zinc/65/08/63/505650863.db2.gz HUVGXHYILICZDB-XJKSGUPXSA-N 2 1 355.404 3.040 20 0 FGADMP O=C([C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000573917776 505651078 /nfs/dbraw/zinc/65/10/78/505651078.db2.gz FWSKWVAMQFPDNU-PGRDOPGGSA-N 2 1 370.541 3.095 20 0 FGADMP CC1(C)CCC(CNC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000579957898 505653203 /nfs/dbraw/zinc/65/32/03/505653203.db2.gz KEZICEMNTIAMMB-FQEVSTJZSA-N 2 1 368.525 3.134 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)n1 ZINC000580034616 505666173 /nfs/dbraw/zinc/66/61/73/505666173.db2.gz ODTKALIAZUCSIG-KRWDZBQOSA-N 2 1 364.449 3.191 20 0 FGADMP CCc1ccc(NC(=O)C[NH+]2CCC(OCC[NH+](CC)CC)CC2)cc1 ZINC000080746959 493771768 /nfs/dbraw/zinc/77/17/68/493771768.db2.gz GGXKABHPNZHFLZ-UHFFFAOYSA-N 2 1 361.530 3.010 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000068200170 493777398 /nfs/dbraw/zinc/77/73/98/493777398.db2.gz LJHLLUSIWITZMV-GOSISDBHSA-N 2 1 361.505 3.027 20 0 FGADMP CN(C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1)c1ccccc1 ZINC000057843682 493806971 /nfs/dbraw/zinc/80/69/71/493806971.db2.gz LSQWBTXCMZBFDW-UHFFFAOYSA-N 2 1 365.521 3.493 20 0 FGADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109827 493824491 /nfs/dbraw/zinc/82/44/91/493824491.db2.gz MVRQOGKMISZCTP-IBGZPJMESA-N 2 1 361.489 3.482 20 0 FGADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109827 493824498 /nfs/dbraw/zinc/82/44/98/493824498.db2.gz MVRQOGKMISZCTP-IBGZPJMESA-N 2 1 361.489 3.482 20 0 FGADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109827 493824502 /nfs/dbraw/zinc/82/45/02/493824502.db2.gz MVRQOGKMISZCTP-IBGZPJMESA-N 2 1 361.489 3.482 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109782 493825045 /nfs/dbraw/zinc/82/50/45/493825045.db2.gz NSCDVPQRLVXZPM-CTNGQTDRSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109782 493825050 /nfs/dbraw/zinc/82/50/50/493825050.db2.gz NSCDVPQRLVXZPM-CTNGQTDRSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109782 493825053 /nfs/dbraw/zinc/82/50/53/493825053.db2.gz NSCDVPQRLVXZPM-CTNGQTDRSA-N 2 1 372.484 3.019 20 0 FGADMP C[C@@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000068887155 493889665 /nfs/dbraw/zinc/88/96/65/493889665.db2.gz SGKVCCIUQJIBEK-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000030640134 493901998 /nfs/dbraw/zinc/90/19/98/493901998.db2.gz DZHJDEKWMQQFCI-UHFFFAOYSA-N 2 1 372.513 3.068 20 0 FGADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000030640134 493902001 /nfs/dbraw/zinc/90/20/01/493902001.db2.gz DZHJDEKWMQQFCI-UHFFFAOYSA-N 2 1 372.513 3.068 20 0 FGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2o1 ZINC000081635650 493934957 /nfs/dbraw/zinc/93/49/57/493934957.db2.gz NACVOZOKFMGEMU-KRWDZBQOSA-N 2 1 356.466 3.383 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc2o1 ZINC000081635650 493934961 /nfs/dbraw/zinc/93/49/61/493934961.db2.gz NACVOZOKFMGEMU-KRWDZBQOSA-N 2 1 356.466 3.383 20 0 FGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc2o1 ZINC000081635650 493934963 /nfs/dbraw/zinc/93/49/63/493934963.db2.gz NACVOZOKFMGEMU-KRWDZBQOSA-N 2 1 356.466 3.383 20 0 FGADMP COC(=O)c1cc2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc2o1 ZINC000081635650 493934967 /nfs/dbraw/zinc/93/49/67/493934967.db2.gz NACVOZOKFMGEMU-KRWDZBQOSA-N 2 1 356.466 3.383 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000060580665 493946306 /nfs/dbraw/zinc/94/63/06/493946306.db2.gz DHIBBQNLZCFYQO-LEWJYISDSA-N 2 1 369.484 3.209 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000051123370 493950159 /nfs/dbraw/zinc/95/01/59/493950159.db2.gz HTYHEAJNJDFTJF-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000051123370 493950160 /nfs/dbraw/zinc/95/01/60/493950160.db2.gz HTYHEAJNJDFTJF-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC000051123370 493950162 /nfs/dbraw/zinc/95/01/62/493950162.db2.gz HTYHEAJNJDFTJF-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)CC1 ZINC000051123370 493950163 /nfs/dbraw/zinc/95/01/63/493950163.db2.gz HTYHEAJNJDFTJF-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000060894185 493957713 /nfs/dbraw/zinc/95/77/13/493957713.db2.gz PXHUUFLBIXPFJE-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000069732949 494004228 /nfs/dbraw/zinc/00/42/28/494004228.db2.gz AASPIMZOOKWPPU-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000062426915 494012271 /nfs/dbraw/zinc/01/22/71/494012271.db2.gz ZPCOHUCGVBUEOF-SFHVURJKSA-N 2 1 369.509 3.489 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000062426915 494012272 /nfs/dbraw/zinc/01/22/72/494012272.db2.gz ZPCOHUCGVBUEOF-SFHVURJKSA-N 2 1 369.509 3.489 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C(C)C)CC1 ZINC000063619116 494070963 /nfs/dbraw/zinc/07/09/63/494070963.db2.gz BISZOFXGQYYJPP-OAQYLSRUSA-N 2 1 357.542 3.196 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063652125 494074647 /nfs/dbraw/zinc/07/46/47/494074647.db2.gz XRIYTWKQNQXVTO-QGZVFWFLSA-N 2 1 374.447 3.250 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc(C(F)(F)F)c2)CC1 ZINC000063652125 494074651 /nfs/dbraw/zinc/07/46/51/494074651.db2.gz XRIYTWKQNQXVTO-QGZVFWFLSA-N 2 1 374.447 3.250 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000085388352 494119297 /nfs/dbraw/zinc/11/92/97/494119297.db2.gz OWKCAFFNQPLXPC-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000085389954 494119423 /nfs/dbraw/zinc/11/94/23/494119423.db2.gz IOCZNUSWXBBTRK-PXNSSMCTSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000085389954 494119426 /nfs/dbraw/zinc/11/94/26/494119426.db2.gz IOCZNUSWXBBTRK-PXNSSMCTSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085389954 494119428 /nfs/dbraw/zinc/11/94/28/494119428.db2.gz IOCZNUSWXBBTRK-PXNSSMCTSA-N 2 1 360.546 3.008 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000072055263 494121607 /nfs/dbraw/zinc/12/16/07/494121607.db2.gz HKIPDKMYBDVWQX-ROUUACIJSA-N 2 1 365.949 3.209 20 0 FGADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000574133207 505701290 /nfs/dbraw/zinc/70/12/90/505701290.db2.gz YCBWQOHZYVFZCV-QUCCMNQESA-N 2 1 367.497 3.437 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000086368098 494150104 /nfs/dbraw/zinc/15/01/04/494150104.db2.gz UTVWXGWJFGVPDI-RYGJVYDSSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000086368098 494150114 /nfs/dbraw/zinc/15/01/14/494150114.db2.gz UTVWXGWJFGVPDI-RYGJVYDSSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000086393633 494151506 /nfs/dbraw/zinc/15/15/06/494151506.db2.gz GIGWGMXOIXSEND-CABCVRRESA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000086393633 494151509 /nfs/dbraw/zinc/15/15/09/494151509.db2.gz GIGWGMXOIXSEND-CABCVRRESA-N 2 1 355.486 3.024 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065992632 494266768 /nfs/dbraw/zinc/26/67/68/494266768.db2.gz IFPRFIHQLZRTNN-RBUKOAKNSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860071 494268556 /nfs/dbraw/zinc/26/85/56/494268556.db2.gz WDNLSUNIGTVVHE-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860071 494268562 /nfs/dbraw/zinc/26/85/62/494268562.db2.gz WDNLSUNIGTVVHE-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)C1 ZINC000072860071 494268566 /nfs/dbraw/zinc/26/85/66/494268566.db2.gz WDNLSUNIGTVVHE-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861041 494269184 /nfs/dbraw/zinc/26/91/84/494269184.db2.gz DKIDOZWWHYCDIR-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861041 494269188 /nfs/dbraw/zinc/26/91/88/494269188.db2.gz DKIDOZWWHYCDIR-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Br)C1 ZINC000072861041 494269194 /nfs/dbraw/zinc/26/91/94/494269194.db2.gz DKIDOZWWHYCDIR-AWEZNQCLSA-N 2 1 368.319 3.051 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000078484786 494305447 /nfs/dbraw/zinc/30/54/47/494305447.db2.gz DXGUMXTVRLADGX-RTBURBONSA-N 2 1 372.513 3.265 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524410 494313349 /nfs/dbraw/zinc/31/33/49/494313349.db2.gz NASRNYFDTGYXDJ-UYAOXDASSA-N 2 1 366.594 3.307 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073628287 494404116 /nfs/dbraw/zinc/40/41/16/494404116.db2.gz MABRBKLUDOJNHX-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073639918 494405537 /nfs/dbraw/zinc/40/55/37/494405537.db2.gz LFBLSZPQYDYEHY-NRFANRHFSA-N 2 1 372.557 3.017 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccn2)CC1 ZINC000073639918 494405543 /nfs/dbraw/zinc/40/55/43/494405543.db2.gz LFBLSZPQYDYEHY-NRFANRHFSA-N 2 1 372.557 3.017 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccn2)CC1 ZINC000073639918 494405545 /nfs/dbraw/zinc/40/55/45/494405545.db2.gz LFBLSZPQYDYEHY-NRFANRHFSA-N 2 1 372.557 3.017 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccn2)CC1 ZINC000073639918 494405551 /nfs/dbraw/zinc/40/55/51/494405551.db2.gz LFBLSZPQYDYEHY-NRFANRHFSA-N 2 1 372.557 3.017 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677696 494412348 /nfs/dbraw/zinc/41/23/48/494412348.db2.gz PUABNNMMRCUNLF-HSALFYBXSA-N 2 1 366.594 3.118 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677696 494412351 /nfs/dbraw/zinc/41/23/51/494412351.db2.gz PUABNNMMRCUNLF-HSALFYBXSA-N 2 1 366.594 3.118 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000073677696 494412354 /nfs/dbraw/zinc/41/23/54/494412354.db2.gz PUABNNMMRCUNLF-HSALFYBXSA-N 2 1 366.594 3.118 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000079197803 494418161 /nfs/dbraw/zinc/41/81/61/494418161.db2.gz VMWOWHGOWJRTIP-IRXDYDNUSA-N 2 1 366.575 3.305 20 0 FGADMP CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1cccs1 ZINC000073795129 494430024 /nfs/dbraw/zinc/43/00/24/494430024.db2.gz IPAVSIAYXVNTDI-DLBZAZTESA-N 2 1 366.575 3.257 20 0 FGADMP C[C@H]1CO[C@@H](c2noc(C34CCCN3CCC4)n2)CN1Cc1ccccc1 ZINC000571389323 505721849 /nfs/dbraw/zinc/72/18/49/505721849.db2.gz HBHJOVAIIZQAKJ-FUHWJXTLSA-N 2 1 368.481 3.117 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090525009 494478432 /nfs/dbraw/zinc/47/84/32/494478432.db2.gz TZVXUJODYOVBTB-XPGWFJOJSA-N 2 1 362.514 3.122 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000090586109 494484325 /nfs/dbraw/zinc/48/43/25/494484325.db2.gz MKRGTYHINPVOSF-JKSUJKDBSA-N 2 1 366.937 3.410 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079610318 494492490 /nfs/dbraw/zinc/49/24/90/494492490.db2.gz VYEPLRMAIZAUMI-KDURUIRLSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079610318 494492494 /nfs/dbraw/zinc/49/24/94/494492494.db2.gz VYEPLRMAIZAUMI-KDURUIRLSA-N 2 1 366.594 3.116 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000079610318 494492497 /nfs/dbraw/zinc/49/24/97/494492497.db2.gz VYEPLRMAIZAUMI-KDURUIRLSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523311 494520025 /nfs/dbraw/zinc/52/00/25/494520025.db2.gz FTKQWMDWZJRNSL-ZDUSSCGKSA-N 2 1 355.885 3.470 20 0 FGADMP C[C@@H](CNC(=O)c1oc2ccccc2c1C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000074470493 494544023 /nfs/dbraw/zinc/54/40/23/494544023.db2.gz MQEJONUNXYKZGD-HOTGVXAUSA-N 2 1 357.498 3.487 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000056786427 494562685 /nfs/dbraw/zinc/56/26/85/494562685.db2.gz SBNPLMSDPSUKCB-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000056786427 494562689 /nfs/dbraw/zinc/56/26/89/494562689.db2.gz SBNPLMSDPSUKCB-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000056786427 494562692 /nfs/dbraw/zinc/56/26/92/494562692.db2.gz SBNPLMSDPSUKCB-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247014 505728986 /nfs/dbraw/zinc/72/89/86/505728986.db2.gz FRRGJGMCHKOYMN-CTNGQTDRSA-N 2 1 363.505 3.345 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247014 505728989 /nfs/dbraw/zinc/72/89/89/505728989.db2.gz FRRGJGMCHKOYMN-CTNGQTDRSA-N 2 1 363.505 3.345 20 0 FGADMP C[NH+](Cc1ccc(C[N@@H+](C)C[C@@H]2CCCOC2)cc1)C[C@@H]1CCCOC1 ZINC000107688595 494584312 /nfs/dbraw/zinc/58/43/12/494584312.db2.gz MTWWFCJCTMITPD-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000126010834 494606091 /nfs/dbraw/zinc/60/60/91/494606091.db2.gz VSQTXPFAVZOXCB-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000126010834 494606101 /nfs/dbraw/zinc/60/61/01/494606101.db2.gz VSQTXPFAVZOXCB-GOSISDBHSA-N 2 1 355.486 3.026 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000115789937 494623821 /nfs/dbraw/zinc/62/38/21/494623821.db2.gz ZYAFQMTZGQVVAO-NRFANRHFSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074852319 494624179 /nfs/dbraw/zinc/62/41/79/494624179.db2.gz OXMLRBHRQNJZOQ-AZUAARDMSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074852319 494624182 /nfs/dbraw/zinc/62/41/82/494624182.db2.gz OXMLRBHRQNJZOQ-AZUAARDMSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074852319 494624190 /nfs/dbraw/zinc/62/41/90/494624190.db2.gz OXMLRBHRQNJZOQ-AZUAARDMSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000074868807 494630528 /nfs/dbraw/zinc/63/05/28/494630528.db2.gz LEARJLVFKGHMBZ-OAQYLSRUSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000074868807 494630536 /nfs/dbraw/zinc/63/05/36/494630536.db2.gz LEARJLVFKGHMBZ-OAQYLSRUSA-N 2 1 372.557 3.012 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000074868807 494630538 /nfs/dbraw/zinc/63/05/38/494630538.db2.gz LEARJLVFKGHMBZ-OAQYLSRUSA-N 2 1 372.557 3.012 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000092587802 494679370 /nfs/dbraw/zinc/67/93/70/494679370.db2.gz UWHNXLAQZJNMGI-OAQYLSRUSA-N 2 1 371.569 3.467 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000092587802 494679382 /nfs/dbraw/zinc/67/93/82/494679382.db2.gz UWHNXLAQZJNMGI-OAQYLSRUSA-N 2 1 371.569 3.467 20 0 FGADMP COc1cc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000092644980 494693404 /nfs/dbraw/zinc/69/34/04/494693404.db2.gz KYUJXPWQJJCAOP-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP COc1cc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc(OC)c1 ZINC000092644980 494693410 /nfs/dbraw/zinc/69/34/10/494693410.db2.gz KYUJXPWQJJCAOP-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCC[C@@H]21 ZINC000580340623 505736587 /nfs/dbraw/zinc/73/65/87/505736587.db2.gz VLJPTCBURZVZDZ-IKGGRYGDSA-N 2 1 360.889 3.395 20 0 FGADMP O[C@H](COCc1ccccc1Cl)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000121363179 494720856 /nfs/dbraw/zinc/72/08/56/494720856.db2.gz HNHDSTBFQNIDTJ-IBGZPJMESA-N 2 1 366.933 3.214 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000108500161 494725485 /nfs/dbraw/zinc/72/54/85/494725485.db2.gz LYEPJPUEPBJRPG-SFHVURJKSA-N 2 1 374.529 3.013 20 0 FGADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)NCc1ccc(C[NH+]3CCCC3)cc1)C2 ZINC000075315138 494725913 /nfs/dbraw/zinc/72/59/13/494725913.db2.gz SNGZQNYKDKWTTH-SEJPIABJSA-N 2 1 370.541 3.097 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000092821488 494763136 /nfs/dbraw/zinc/76/31/36/494763136.db2.gz XJDVSXFQBGOMBT-UHFFFAOYSA-N 2 1 366.509 3.180 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821459 494764054 /nfs/dbraw/zinc/76/40/54/494764054.db2.gz QNWRXXFIHCVTER-ROUUACIJSA-N 2 1 360.546 3.313 20 0 FGADMP CC(C)Cc1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821207 494764382 /nfs/dbraw/zinc/76/43/82/494764382.db2.gz SZZBCCVLDRKJIO-UHFFFAOYSA-N 2 1 357.502 3.402 20 0 FGADMP CC(C)Cc1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821207 494764388 /nfs/dbraw/zinc/76/43/88/494764388.db2.gz SZZBCCVLDRKJIO-UHFFFAOYSA-N 2 1 357.502 3.402 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)Nc1ccccc1 ZINC000092821651 494764671 /nfs/dbraw/zinc/76/46/71/494764671.db2.gz OMUQQMUUSVVVPV-UHFFFAOYSA-N 2 1 352.482 3.259 20 0 FGADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c[nH]1 ZINC000093006837 494806279 /nfs/dbraw/zinc/80/62/79/494806279.db2.gz XMCNDGVDDXQWJD-UHFFFAOYSA-N 2 1 355.482 3.145 20 0 FGADMP Cc1ccc(-c2cnc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)o2)cc1 ZINC000075639557 494807939 /nfs/dbraw/zinc/80/79/39/494807939.db2.gz YECCFTCURDOQJG-UHFFFAOYSA-N 2 1 355.482 3.194 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000122035453 494913184 /nfs/dbraw/zinc/91/31/84/494913184.db2.gz AYWLUWGAUSDAFF-QGZVFWFLSA-N 2 1 371.529 3.352 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742180 494915890 /nfs/dbraw/zinc/91/58/90/494915890.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 2 1 372.601 3.382 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742180 494915892 /nfs/dbraw/zinc/91/58/92/494915892.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742180 494915894 /nfs/dbraw/zinc/91/58/94/494915894.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742180 494915895 /nfs/dbraw/zinc/91/58/95/494915895.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2N2CC[NH+](CCC)CC2)C1 ZINC000093742180 494915898 /nfs/dbraw/zinc/91/58/98/494915898.db2.gz ZIIKFGIZBURVPM-NRFANRHFSA-N 3 1 372.601 3.382 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000122148790 494931613 /nfs/dbraw/zinc/93/16/13/494931613.db2.gz DQUSJNONHGQDTP-UHFFFAOYSA-N 2 1 371.525 3.099 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000127370232 494935545 /nfs/dbraw/zinc/93/55/45/494935545.db2.gz MLXTTWLSSZSKBS-ROUUACIJSA-N 2 1 354.583 3.020 20 0 FGADMP CCc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000110545154 494987975 /nfs/dbraw/zinc/98/79/75/494987975.db2.gz YIHPFUXPRZYVTP-ROUUACIJSA-N 2 1 373.541 3.009 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297785 494996872 /nfs/dbraw/zinc/99/68/72/494996872.db2.gz VKKMMPKAKFOQOG-IBGZPJMESA-N 3 1 358.574 3.039 20 0 FGADMP CCC[N@@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297785 494996876 /nfs/dbraw/zinc/99/68/76/494996876.db2.gz VKKMMPKAKFOQOG-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133297785 494996882 /nfs/dbraw/zinc/99/68/82/494996882.db2.gz VKKMMPKAKFOQOG-IBGZPJMESA-N 2 1 358.574 3.039 20 0 FGADMP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000111108041 495040414 /nfs/dbraw/zinc/04/04/14/495040414.db2.gz YYLPEAUYOQNSQI-HXUWFJFHSA-N 2 1 355.482 3.259 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000128146559 495052408 /nfs/dbraw/zinc/05/24/08/495052408.db2.gz SORUVBLNCOCWBS-GOSISDBHSA-N 2 1 359.449 3.007 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)cc2)C1 ZINC000128146559 495052412 /nfs/dbraw/zinc/05/24/12/495052412.db2.gz SORUVBLNCOCWBS-GOSISDBHSA-N 2 1 359.449 3.007 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)[nH+]1 ZINC000128238145 495065676 /nfs/dbraw/zinc/06/56/76/495065676.db2.gz FYBMSZKCDMELMY-MRXNPFEDSA-N 2 1 373.522 3.113 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)s1 ZINC000128287148 495073850 /nfs/dbraw/zinc/07/38/50/495073850.db2.gz HMQDSAHUPXSKLQ-CYBMUJFWSA-N 2 1 360.365 3.189 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000123318327 495113682 /nfs/dbraw/zinc/11/36/82/495113682.db2.gz PCJUIIHNUYSMAK-NRFANRHFSA-N 2 1 367.493 3.026 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000123318327 495113684 /nfs/dbraw/zinc/11/36/84/495113684.db2.gz PCJUIIHNUYSMAK-NRFANRHFSA-N 2 1 367.493 3.026 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000134155985 495114106 /nfs/dbraw/zinc/11/41/06/495114106.db2.gz DLOZPXCRIFPBOA-UHFFFAOYSA-N 2 1 355.530 3.426 20 0 FGADMP C[C@@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570244 495193459 /nfs/dbraw/zinc/19/34/59/495193459.db2.gz QOMPEDAKZGBBMK-QUCCMNQESA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(F)ccc3F)cn2)CC1 ZINC000112529224 495201206 /nfs/dbraw/zinc/20/12/06/495201206.db2.gz JGIDADIGSNOCTB-OAHLLOKOSA-N 2 1 360.452 3.353 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COCc2ccco2)CC1 ZINC000103228005 495205873 /nfs/dbraw/zinc/20/58/73/495205873.db2.gz MSMYGYJBIQIPOA-OAQYLSRUSA-N 2 1 372.509 3.001 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134888958 495216471 /nfs/dbraw/zinc/21/64/71/495216471.db2.gz CGIFGKQXOYPLJX-NQIIRXRSSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134888958 495216474 /nfs/dbraw/zinc/21/64/74/495216474.db2.gz CGIFGKQXOYPLJX-NQIIRXRSSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134888958 495216478 /nfs/dbraw/zinc/21/64/78/495216478.db2.gz CGIFGKQXOYPLJX-NQIIRXRSSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134888958 495216482 /nfs/dbraw/zinc/21/64/82/495216482.db2.gz CGIFGKQXOYPLJX-NQIIRXRSSA-N 2 1 369.509 3.167 20 0 FGADMP C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C[C@@H]1n1ccnc1 ZINC000129411348 495241903 /nfs/dbraw/zinc/24/19/03/495241903.db2.gz UBCRRJPCHVOGET-OLMNPRSZSA-N 2 1 367.415 3.388 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000129420349 495243632 /nfs/dbraw/zinc/24/36/32/495243632.db2.gz JYSBZTARXRTYLB-KBWCOIMZSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129443178 495246011 /nfs/dbraw/zinc/24/60/11/495246011.db2.gz NGAUTFLNDVOVQC-GOSISDBHSA-N 2 1 364.578 3.347 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577647424 505770025 /nfs/dbraw/zinc/77/00/25/505770025.db2.gz NUFVKICSYQTQBW-AVRDEDQJSA-N 2 1 365.521 3.184 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C)C1 ZINC000129469167 495249434 /nfs/dbraw/zinc/24/94/34/495249434.db2.gz FAFBCAOIQBRRSL-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CSCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000119898427 495264447 /nfs/dbraw/zinc/26/44/47/495264447.db2.gz MWSRCOMLZUHCPZ-MRXNPFEDSA-N 2 1 358.515 3.098 20 0 FGADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000124403831 495281646 /nfs/dbraw/zinc/28/16/46/495281646.db2.gz BHKYVUBAEZZKFH-IBGZPJMESA-N 2 1 363.546 3.018 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CCOCC2)cc1 ZINC000120098052 495306966 /nfs/dbraw/zinc/30/69/66/495306966.db2.gz HZEUACGLYUJYGI-UWJYYQICSA-N 2 1 356.514 3.188 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105113089 495337735 /nfs/dbraw/zinc/33/77/35/495337735.db2.gz VPWDWVUMKXYYLH-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136070540 495354346 /nfs/dbraw/zinc/35/43/46/495354346.db2.gz GKSOPWKKSMJXDT-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000136070540 495354348 /nfs/dbraw/zinc/35/43/48/495354348.db2.gz GKSOPWKKSMJXDT-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP CCOc1ccc([C@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114454024 495376008 /nfs/dbraw/zinc/37/60/08/495376008.db2.gz VNZMUKMKBKGAKD-OAQYLSRUSA-N 2 1 373.541 3.211 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000571653305 505783544 /nfs/dbraw/zinc/78/35/44/505783544.db2.gz DYRCLRRNJDTMLA-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000130691584 495430572 /nfs/dbraw/zinc/43/05/72/495430572.db2.gz SJWAGZUPMLJDHW-LJQANCHMSA-N 2 1 372.488 3.091 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000130691584 495430577 /nfs/dbraw/zinc/43/05/77/495430577.db2.gz SJWAGZUPMLJDHW-LJQANCHMSA-N 2 1 372.488 3.091 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000137482653 495442888 /nfs/dbraw/zinc/44/28/88/495442888.db2.gz DYNRKIAFEIYFLX-DYESRHJHSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000120768966 495454067 /nfs/dbraw/zinc/45/40/67/495454067.db2.gz GPTRAGKXEDDYNA-AWEZNQCLSA-N 2 1 357.340 3.278 20 0 FGADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000106486506 495458775 /nfs/dbraw/zinc/45/87/75/495458775.db2.gz GLOOYSJPYXHUFO-OAHLLOKOSA-N 2 1 370.522 3.282 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000130902850 495463750 /nfs/dbraw/zinc/46/37/50/495463750.db2.gz WGPOZFVBWYLUJD-OAQYLSRUSA-N 2 1 369.553 3.303 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125756064 495493786 /nfs/dbraw/zinc/49/37/86/495493786.db2.gz ZNJXHCQOZZJWIG-CRAIPNDOSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125756064 495493792 /nfs/dbraw/zinc/49/37/92/495493792.db2.gz ZNJXHCQOZZJWIG-CRAIPNDOSA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125756064 495493794 /nfs/dbraw/zinc/49/37/94/495493794.db2.gz ZNJXHCQOZZJWIG-CRAIPNDOSA-N 2 1 351.922 3.008 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCC(=O)Nc3ccc(C)cn3)C1)CCCC2 ZINC000574509019 505788287 /nfs/dbraw/zinc/78/82/87/505788287.db2.gz WODRSOBQVGIADW-QGZVFWFLSA-N 2 1 367.497 3.049 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCC(=O)Nc3ccc(C)cn3)C1)CCCC2 ZINC000574509019 505788290 /nfs/dbraw/zinc/78/82/90/505788290.db2.gz WODRSOBQVGIADW-QGZVFWFLSA-N 2 1 367.497 3.049 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000144362518 495543816 /nfs/dbraw/zinc/54/38/16/495543816.db2.gz UFJMREJGHLRRBR-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000158692884 495570102 /nfs/dbraw/zinc/57/01/02/495570102.db2.gz ALYCAYYTNRNZJU-FQEVSTJZSA-N 2 1 352.526 3.330 20 0 FGADMP CCC[C@@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351796 495588852 /nfs/dbraw/zinc/58/88/52/495588852.db2.gz YHNJOSVIDFRACM-SLYNCCJLSA-N 2 1 372.557 3.466 20 0 FGADMP CCC[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000154351796 495588858 /nfs/dbraw/zinc/58/88/58/495588858.db2.gz YHNJOSVIDFRACM-SLYNCCJLSA-N 2 1 372.557 3.466 20 0 FGADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)cn1C ZINC000571687928 505791180 /nfs/dbraw/zinc/79/11/80/505791180.db2.gz SYTGVOBSJAGHTE-QGZVFWFLSA-N 2 1 366.465 3.134 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(Cl)ccc2OC)CC1 ZINC000154531948 495644597 /nfs/dbraw/zinc/64/45/97/495644597.db2.gz FKEDSLITWYCXRX-MRXNPFEDSA-N 2 1 353.938 3.417 20 0 FGADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000185631637 495653843 /nfs/dbraw/zinc/65/38/43/495653843.db2.gz KEQKMWZYKKRJGZ-VQIMIIECSA-N 2 1 361.555 3.294 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185698081 495685558 /nfs/dbraw/zinc/68/55/58/495685558.db2.gz WJNUROYGDJCDKT-ULQDDVLXSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185698081 495685561 /nfs/dbraw/zinc/68/55/61/495685561.db2.gz WJNUROYGDJCDKT-ULQDDVLXSA-N 2 1 359.514 3.265 20 0 FGADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872518 495726575 /nfs/dbraw/zinc/72/65/75/495726575.db2.gz CFXBQUOITLTJAQ-MJGOQNOKSA-N 2 1 366.933 3.025 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000151130730 495747290 /nfs/dbraw/zinc/74/72/90/495747290.db2.gz ACXAOCQADVOTQX-ZWKOTPCHSA-N 2 1 356.514 3.323 20 0 FGADMP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)cc1C ZINC000182902183 495748834 /nfs/dbraw/zinc/74/88/34/495748834.db2.gz NBNGGXHKKFLZQK-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1ccc(OCCC[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182902183 495748840 /nfs/dbraw/zinc/74/88/40/495748840.db2.gz NBNGGXHKKFLZQK-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182902183 495748848 /nfs/dbraw/zinc/74/88/48/495748848.db2.gz NBNGGXHKKFLZQK-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP C[C@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182954981 495773551 /nfs/dbraw/zinc/77/35/51/495773551.db2.gz JTTVTXHLCZYAPT-ROUUACIJSA-N 2 1 364.578 3.251 20 0 FGADMP C[N@@H+](CCCOc1cccc(C(F)(F)F)c1)CCCN1CC[NH+](C)CC1 ZINC000182968770 495779971 /nfs/dbraw/zinc/77/99/71/495779971.db2.gz AZSLCJADXBQQNC-UHFFFAOYSA-N 2 1 373.463 3.044 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2cccs2)cc1 ZINC000183151860 495856861 /nfs/dbraw/zinc/85/68/61/495856861.db2.gz ZDESEFZOISDIDT-CQSZACIVSA-N 2 1 354.479 3.209 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000174208611 495863976 /nfs/dbraw/zinc/86/39/76/495863976.db2.gz QRHMQEYLJFRVBS-ICSRJNTNSA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000174208611 495863981 /nfs/dbraw/zinc/86/39/81/495863981.db2.gz QRHMQEYLJFRVBS-ICSRJNTNSA-N 2 1 356.510 3.243 20 0 FGADMP CCN(CC)C(=O)[C@@H](C)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000580677072 505811306 /nfs/dbraw/zinc/81/13/06/505811306.db2.gz OAQSQQPHOQRUCH-IAGOWNOFSA-N 2 1 351.560 3.067 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000174350714 495922959 /nfs/dbraw/zinc/92/29/59/495922959.db2.gz DNEVKNLTYYXNMQ-GFCCVEGCSA-N 2 1 362.275 3.028 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000177259385 495998137 /nfs/dbraw/zinc/99/81/37/495998137.db2.gz ULCHDVPSLNMVGQ-SFHVURJKSA-N 2 1 369.553 3.347 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](C2CCCCC2)CC1)[N@H+]1CCc2ccccc2C1 ZINC000177259385 495998143 /nfs/dbraw/zinc/99/81/43/495998143.db2.gz ULCHDVPSLNMVGQ-SFHVURJKSA-N 2 1 369.553 3.347 20 0 FGADMP C[N@@H+](CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1 ZINC000177424847 496057397 /nfs/dbraw/zinc/05/73/97/496057397.db2.gz ORWPIWCHIRTDND-UHFFFAOYSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)C[C@@H](C)O1 ZINC000177487156 496081868 /nfs/dbraw/zinc/08/18/68/496081868.db2.gz NCYIDWPTVOCXJK-HZPDHXFCSA-N 2 1 374.485 3.041 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177511261 496092253 /nfs/dbraw/zinc/09/22/53/496092253.db2.gz XVUPBLWEEDJOPT-LJQANCHMSA-N 2 1 364.578 3.347 20 0 FGADMP CN(CC(=O)N[C@H](c1cccs1)C(C)(C)C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152369230 496130596 /nfs/dbraw/zinc/13/05/96/496130596.db2.gz XTPPTUUKSNZLKB-CRAIPNDOSA-N 2 1 351.560 3.225 20 0 FGADMP C[NH+](C)C[C@H]1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000174851783 496134447 /nfs/dbraw/zinc/13/44/47/496134447.db2.gz CUDIBAYRPVOELJ-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c4c[nH]nc43)CC2)CC1 ZINC000580731743 505825323 /nfs/dbraw/zinc/82/53/23/505825323.db2.gz VHJJRHYGAULELE-UHFFFAOYSA-N 2 1 369.513 3.006 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000156039865 496140715 /nfs/dbraw/zinc/14/07/15/496140715.db2.gz CBAKBNYPJVWICS-SFHVURJKSA-N 2 1 371.550 3.452 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000174890732 496150888 /nfs/dbraw/zinc/15/08/88/496150888.db2.gz CYEDSAQDAFPJQG-LNLFQRSKSA-N 2 1 360.546 3.240 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC3CC3)CC3CCC3)CC2)CC1 ZINC000568999970 505827643 /nfs/dbraw/zinc/82/76/43/505827643.db2.gz HROCCAZIEWBCTD-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000161602814 496206409 /nfs/dbraw/zinc/20/64/09/496206409.db2.gz HZQOIKDWPQANJQ-NRFANRHFSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000161602814 496206416 /nfs/dbraw/zinc/20/64/16/496206416.db2.gz HZQOIKDWPQANJQ-NRFANRHFSA-N 2 1 372.557 3.341 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000177866088 496230371 /nfs/dbraw/zinc/23/03/71/496230371.db2.gz VBOOAUKAYIRTFU-MSOLQXFVSA-N 2 1 374.529 3.026 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@H](C)C1 ZINC000152778841 496255108 /nfs/dbraw/zinc/25/51/08/496255108.db2.gz UHVXGGCCMTVVBD-APWZRJJASA-N 2 1 352.494 3.451 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@H](C)C1 ZINC000152778841 496255114 /nfs/dbraw/zinc/25/51/14/496255114.db2.gz UHVXGGCCMTVVBD-APWZRJJASA-N 2 1 352.494 3.451 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768825 505834118 /nfs/dbraw/zinc/83/41/18/505834118.db2.gz ABZZQTWWBKRDOT-FUHIMQAGSA-N 2 1 360.523 3.161 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768825 505834123 /nfs/dbraw/zinc/83/41/23/505834123.db2.gz ABZZQTWWBKRDOT-FUHIMQAGSA-N 2 1 360.523 3.161 20 0 FGADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175272094 496316611 /nfs/dbraw/zinc/31/66/11/496316611.db2.gz ZIVGHUBOVUOKPU-KYHREEPGSA-N 2 1 357.542 3.417 20 0 FGADMP C[C@@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914565 496363199 /nfs/dbraw/zinc/36/31/99/496363199.db2.gz YBFZWQPYUDGUIM-PXNSSMCTSA-N 2 1 369.509 3.088 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)[C@@H](c2ccccc2)C1 ZINC000181478307 496413222 /nfs/dbraw/zinc/41/32/22/496413222.db2.gz NHFWUEMQXFIWAL-CBPXPLCBSA-N 2 1 371.569 3.158 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175571404 496447727 /nfs/dbraw/zinc/44/77/27/496447727.db2.gz GHEPVJYECDQMIE-CQSZACIVSA-N 2 1 354.454 3.065 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000187479080 496458276 /nfs/dbraw/zinc/45/82/76/496458276.db2.gz SKEMTKJDIKWQNS-JBACZVJFSA-N 2 1 374.573 3.267 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632745 496473565 /nfs/dbraw/zinc/47/35/65/496473565.db2.gz QPMXMEOFRVVTHF-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000175641991 496479190 /nfs/dbraw/zinc/47/91/90/496479190.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000175641991 496479194 /nfs/dbraw/zinc/47/91/94/496479194.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000175641991 496479199 /nfs/dbraw/zinc/47/91/99/496479199.db2.gz QNTQDWKCCSDOGA-YXYSEUPNSA-N 2 1 372.557 3.164 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000163219057 496482916 /nfs/dbraw/zinc/48/29/16/496482916.db2.gz YBIPIFXPPOPZTN-PXNSSMCTSA-N 2 1 356.514 3.229 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000157480404 496484955 /nfs/dbraw/zinc/48/49/55/496484955.db2.gz WYLUYFDGAXTQMO-PXNSSMCTSA-N 2 1 371.529 3.210 20 0 FGADMP COc1cccc2cc([C@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)oc21 ZINC000181697696 496508050 /nfs/dbraw/zinc/50/80/50/496508050.db2.gz UNFXIZIXYCQJEZ-INIZCTEOSA-N 2 1 359.514 3.366 20 0 FGADMP Cc1cc(N2CCC([NH2+]CC3=Cc4ccccc4OC3)CC2)nc(C)[nH+]1 ZINC000178615512 496516922 /nfs/dbraw/zinc/51/69/22/496516922.db2.gz BNYJOPRJADLWOF-UHFFFAOYSA-N 2 1 350.466 3.128 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)Nc1ccccc1 ZINC000184752623 496518076 /nfs/dbraw/zinc/51/80/76/496518076.db2.gz NABIZYQKTRHTBI-ROUUACIJSA-N 2 1 351.494 3.371 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000187702783 496539919 /nfs/dbraw/zinc/53/99/19/496539919.db2.gz TWTMKMLHFXAWKW-MRXNPFEDSA-N 2 1 352.544 3.205 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163992340 496578249 /nfs/dbraw/zinc/57/82/49/496578249.db2.gz ZVYUVECWRQDOIV-KRWDZBQOSA-N 2 1 371.447 3.113 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000163992340 496578254 /nfs/dbraw/zinc/57/82/54/496578254.db2.gz ZVYUVECWRQDOIV-KRWDZBQOSA-N 2 1 371.447 3.113 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc2)C1 ZINC000164573449 496620965 /nfs/dbraw/zinc/62/09/65/496620965.db2.gz XSUYUZRBGBRFBJ-UTKZUKDTSA-N 2 1 351.494 3.427 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@@H]1c1cccs1 ZINC000164978330 496642302 /nfs/dbraw/zinc/64/23/02/496642302.db2.gz WDRPVRMQRNQKDD-RDTXWAMCSA-N 2 1 357.514 3.450 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@@H]1c1cccs1 ZINC000164978330 496642305 /nfs/dbraw/zinc/64/23/05/496642305.db2.gz WDRPVRMQRNQKDD-RDTXWAMCSA-N 2 1 357.514 3.450 20 0 FGADMP CCc1cccc(OCC[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)c1 ZINC000154021424 496657620 /nfs/dbraw/zinc/65/76/20/496657620.db2.gz KLOHXVFVMBHYIE-WOJBJXKFSA-N 2 1 359.558 3.118 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1F ZINC000166032151 496676950 /nfs/dbraw/zinc/67/69/50/496676950.db2.gz WEXQXQMSTDRUNX-WMZOPIPTSA-N 2 1 358.461 3.234 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414090 496682417 /nfs/dbraw/zinc/68/24/17/496682417.db2.gz XWQOPLREEPZNLB-YZGWKJHDSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000166690058 496691324 /nfs/dbraw/zinc/69/13/24/496691324.db2.gz YSAWDRCLXLOQGK-IAGOWNOFSA-N 2 1 361.555 3.200 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)c1ccco1 ZINC000188172812 496708291 /nfs/dbraw/zinc/70/82/91/496708291.db2.gz ZTFMCFOFLRQHOX-KRWDZBQOSA-N 2 1 364.534 3.226 20 0 FGADMP CCc1nc2c(s1)[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)CCC2 ZINC000158484238 496711487 /nfs/dbraw/zinc/71/14/87/496711487.db2.gz YLBNVSSBHSMMKR-INIZCTEOSA-N 2 1 371.554 3.020 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)c1 ZINC000580887796 505861581 /nfs/dbraw/zinc/86/15/81/505861581.db2.gz PKFCTFQYHQWJOI-NRFANRHFSA-N 2 1 356.510 3.365 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273157 496724414 /nfs/dbraw/zinc/72/44/14/496724414.db2.gz GBSTXZGQISLZAM-PXNSSMCTSA-N 2 1 353.510 3.170 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000571986536 505862235 /nfs/dbraw/zinc/86/22/35/505862235.db2.gz WNQJDNQGJUKIEZ-DENIHFKCSA-N 2 1 373.541 3.275 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000268560201 496735350 /nfs/dbraw/zinc/73/53/50/496735350.db2.gz OUUSQDNQBZIMAP-LJQANCHMSA-N 2 1 362.493 3.286 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NCc2nc(C)c3ccccc3n2)[C@@H](C)C1 ZINC000246978651 496741802 /nfs/dbraw/zinc/74/18/02/496741802.db2.gz JXDCXTUBSNIXME-QFBILLFUSA-N 2 1 356.514 3.165 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)c1 ZINC000246988184 496743618 /nfs/dbraw/zinc/74/36/18/496743618.db2.gz KBGVYCRPIOJRKW-FUPPJEDESA-N 3 1 372.601 3.216 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)c1 ZINC000246988184 496743622 /nfs/dbraw/zinc/74/36/22/496743622.db2.gz KBGVYCRPIOJRKW-FUPPJEDESA-N 2 1 372.601 3.216 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000277401825 496760915 /nfs/dbraw/zinc/76/09/15/496760915.db2.gz ZNJSNCGQROLQAB-QGZVFWFLSA-N 2 1 370.497 3.079 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000277401825 496760919 /nfs/dbraw/zinc/76/09/19/496760919.db2.gz ZNJSNCGQROLQAB-QGZVFWFLSA-N 2 1 370.497 3.079 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194946178 496770452 /nfs/dbraw/zinc/77/04/52/496770452.db2.gz OTBRDKPCHZNMFS-IBGZPJMESA-N 2 1 357.542 3.278 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000191478446 496776903 /nfs/dbraw/zinc/77/69/03/496776903.db2.gz GAMKRDUBQVVUJD-SFHVURJKSA-N 2 1 356.470 3.183 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000191478446 496776907 /nfs/dbraw/zinc/77/69/07/496776907.db2.gz GAMKRDUBQVVUJD-SFHVURJKSA-N 2 1 356.470 3.183 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822933 496795312 /nfs/dbraw/zinc/79/53/12/496795312.db2.gz IAROOUYYSWSNIM-IAGOWNOFSA-N 2 1 350.503 3.103 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268855044 496804036 /nfs/dbraw/zinc/80/40/36/496804036.db2.gz LFJRXCALAIYCQC-ZDUSSCGKSA-N 2 1 372.481 3.208 20 0 FGADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1OCC(=O)N(C)C ZINC000268856821 496805362 /nfs/dbraw/zinc/80/53/62/496805362.db2.gz ISBSLDAPTJPBGH-LPHOPBHVSA-N 2 1 372.513 3.036 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000247313278 496831193 /nfs/dbraw/zinc/83/11/93/496831193.db2.gz KECHYYFNYGUTMM-SJLPKXTDSA-N 2 1 366.575 3.114 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)c1 ZINC000572009624 505868802 /nfs/dbraw/zinc/86/88/02/505868802.db2.gz LWXFUXLYLSMOMU-ZWKOTPCHSA-N 2 1 367.497 3.128 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335784 496837817 /nfs/dbraw/zinc/83/78/17/496837817.db2.gz NELHAWVUPSXVPB-STEAMIEHSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335784 496837821 /nfs/dbraw/zinc/83/78/21/496837821.db2.gz NELHAWVUPSXVPB-STEAMIEHSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335784 496837835 /nfs/dbraw/zinc/83/78/35/496837835.db2.gz NELHAWVUPSXVPB-STEAMIEHSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000269068072 496863472 /nfs/dbraw/zinc/86/34/72/496863472.db2.gz LXOQDNUWQOPXJV-QEJZJMRPSA-N 2 1 360.470 3.206 20 0 FGADMP C[C@H](NC(=O)CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000247483800 496870437 /nfs/dbraw/zinc/87/04/37/496870437.db2.gz KJXXTEAGOPMMIK-PZJWPPBQSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000247549207 496885484 /nfs/dbraw/zinc/88/54/84/496885484.db2.gz PUANUEVKSYMWRN-CZTZKLFOSA-N 2 1 360.542 3.105 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000247549207 496885491 /nfs/dbraw/zinc/88/54/91/496885491.db2.gz PUANUEVKSYMWRN-CZTZKLFOSA-N 2 1 360.542 3.105 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2c(Cl)cccc21 ZINC000247970505 496935945 /nfs/dbraw/zinc/93/59/45/496935945.db2.gz HGXZRJZXPYLKEG-MAUKXSAKSA-N 2 1 352.906 3.380 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(OC)ccc2OC)[C@H](C)C1 ZINC000247976708 496937385 /nfs/dbraw/zinc/93/73/85/496937385.db2.gz KZTAYNLAKUVWIF-HLIPFELVSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)[C@H](C)C1 ZINC000247976708 496937388 /nfs/dbraw/zinc/93/73/88/496937388.db2.gz KZTAYNLAKUVWIF-HLIPFELVSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@H]1C ZINC000248393281 496993188 /nfs/dbraw/zinc/99/31/88/496993188.db2.gz DUXNTEYVVVQZSM-LVCYWYKZSA-N 2 1 373.541 3.262 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C2CC2)C1 ZINC000248436059 497009799 /nfs/dbraw/zinc/00/97/99/497009799.db2.gz GDJLOJCLNFIAOA-DHIUTWEWSA-N 2 1 350.506 3.364 20 0 FGADMP COc1ccc(C)cc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248445405 497013938 /nfs/dbraw/zinc/01/39/38/497013938.db2.gz MKSAHVGGHYTLSY-FXAWDEMLSA-N 2 1 354.494 3.421 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)s1 ZINC000248449975 497015372 /nfs/dbraw/zinc/01/53/72/497015372.db2.gz OWLNFDXVJPWQED-KBXCAEBGSA-N 2 1 359.539 3.431 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248451785 497015908 /nfs/dbraw/zinc/01/59/08/497015908.db2.gz JGIUAJALIGZXNM-HZPDHXFCSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000248451785 497015914 /nfs/dbraw/zinc/01/59/14/497015914.db2.gz JGIUAJALIGZXNM-HZPDHXFCSA-N 2 1 374.447 3.109 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248546714 497035579 /nfs/dbraw/zinc/03/55/79/497035579.db2.gz DXRHALSWTMDFSY-ULQDDVLXSA-N 2 1 361.534 3.034 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248546714 497035582 /nfs/dbraw/zinc/03/55/82/497035582.db2.gz DXRHALSWTMDFSY-ULQDDVLXSA-N 2 1 361.534 3.034 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248707255 497083792 /nfs/dbraw/zinc/08/37/92/497083792.db2.gz AZDPPZKOIIREEC-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248707255 497083797 /nfs/dbraw/zinc/08/37/97/497083797.db2.gz AZDPPZKOIIREEC-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248707255 497083801 /nfs/dbraw/zinc/08/38/01/497083801.db2.gz AZDPPZKOIIREEC-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000226557650 497083850 /nfs/dbraw/zinc/08/38/50/497083850.db2.gz XQBPVHDRDDOCLM-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248710352 497084538 /nfs/dbraw/zinc/08/45/38/497084538.db2.gz PYVQPXFXAMSZML-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248719186 497086560 /nfs/dbraw/zinc/08/65/60/497086560.db2.gz SDUGTPCSAKQQCL-FUHWJXTLSA-N 2 1 366.575 3.114 20 0 FGADMP CC(C)N1CCC[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1=O ZINC000248735025 497092540 /nfs/dbraw/zinc/09/25/40/497092540.db2.gz KQGDYCXSPFXYKB-IZZBFERCSA-N 2 1 357.542 3.132 20 0 FGADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000278390119 497098348 /nfs/dbraw/zinc/09/83/48/497098348.db2.gz ITUBEMIFWIHMPM-PZJWPPBQSA-N 2 1 353.510 3.004 20 0 FGADMP CCN(C)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000248900340 497130462 /nfs/dbraw/zinc/13/04/62/497130462.db2.gz VEGPYDOAYJCLEJ-OAQYLSRUSA-N 2 1 352.526 3.492 20 0 FGADMP CCN(C)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cn1 ZINC000248900340 497130463 /nfs/dbraw/zinc/13/04/63/497130463.db2.gz VEGPYDOAYJCLEJ-OAQYLSRUSA-N 2 1 352.526 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000248900340 497130464 /nfs/dbraw/zinc/13/04/64/497130464.db2.gz VEGPYDOAYJCLEJ-OAQYLSRUSA-N 2 1 352.526 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000248900340 497130465 /nfs/dbraw/zinc/13/04/65/497130465.db2.gz VEGPYDOAYJCLEJ-OAQYLSRUSA-N 2 1 352.526 3.492 20 0 FGADMP Cn1c2ccc(C[NH2+]C3CC[NH+](CC4CCCC4)CC3)cc2sc1=O ZINC000192519451 497138234 /nfs/dbraw/zinc/13/82/34/497138234.db2.gz VKGYLSBGJGXKQC-UHFFFAOYSA-N 2 1 359.539 3.344 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000249024567 497151508 /nfs/dbraw/zinc/15/15/08/497151508.db2.gz RFRHOUCZLYPLLU-HLAWJBBLSA-N 2 1 374.573 3.125 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000249059419 497156461 /nfs/dbraw/zinc/15/64/61/497156461.db2.gz PAKILKUYEVJOKF-DSKINZAPSA-N 2 1 360.542 3.279 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000189563610 497163640 /nfs/dbraw/zinc/16/36/40/497163640.db2.gz MRXVUFSKMSLAFK-SEJPIABJSA-N 2 1 372.557 3.165 20 0 FGADMP CCN1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000236919344 497168542 /nfs/dbraw/zinc/16/85/42/497168542.db2.gz ZYGZSBVRSAMEMV-UHFFFAOYSA-N 2 1 369.303 3.184 20 0 FGADMP CC[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000236919344 497168547 /nfs/dbraw/zinc/16/85/47/497168547.db2.gz ZYGZSBVRSAMEMV-UHFFFAOYSA-N 2 1 369.303 3.184 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192684971 497184723 /nfs/dbraw/zinc/18/47/23/497184723.db2.gz IGSTZVAKJPVUEE-XLIONFOSSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192684959 497184959 /nfs/dbraw/zinc/18/49/59/497184959.db2.gz IGSTZVAKJPVUEE-FXAWDEMLSA-N 2 1 355.526 3.030 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237192960 497203362 /nfs/dbraw/zinc/20/33/62/497203362.db2.gz SJVGBQJHNARPBY-OAQYLSRUSA-N 2 1 351.494 3.057 20 0 FGADMP C[C@@H](CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237345436 497222807 /nfs/dbraw/zinc/22/28/07/497222807.db2.gz GRAXTFOPDHNSQV-IBGZPJMESA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccc(O)c1 ZINC000249584894 497225494 /nfs/dbraw/zinc/22/54/94/497225494.db2.gz OCSPEMRDEAJQHJ-AVRDEDQJSA-N 2 1 353.510 3.422 20 0 FGADMP CCc1ccc([C@@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC000192845918 497228137 /nfs/dbraw/zinc/22/81/37/497228137.db2.gz YLYFDCGMINTVQW-QFIPXVFZSA-N 2 1 359.558 3.038 20 0 FGADMP CCc1ccc([C@@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC000192845918 497228141 /nfs/dbraw/zinc/22/81/41/497228141.db2.gz YLYFDCGMINTVQW-QFIPXVFZSA-N 2 1 359.558 3.038 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000189760996 497234842 /nfs/dbraw/zinc/23/48/42/497234842.db2.gz SDUGTPCSAKQQCL-AEFFLSMTSA-N 2 1 366.575 3.114 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237444057 497238216 /nfs/dbraw/zinc/23/82/16/497238216.db2.gz VSJBNBJQPBCWBE-RCZSKKKRSA-N 2 1 365.521 3.003 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4ccncc4)CC3)C2)cc1 ZINC000192926901 497248146 /nfs/dbraw/zinc/24/81/46/497248146.db2.gz YLUQSTKJLNDUCM-QFIPXVFZSA-N 2 1 364.537 3.158 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291330 497265301 /nfs/dbraw/zinc/26/53/01/497265301.db2.gz SQVCAGFEOFZCAY-LEWJYISDSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000250291330 497265307 /nfs/dbraw/zinc/26/53/07/497265307.db2.gz SQVCAGFEOFZCAY-LEWJYISDSA-N 2 1 360.542 3.179 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000250777467 497269872 /nfs/dbraw/zinc/26/98/72/497269872.db2.gz VPBBOICFRQISAP-RTWAWAEBSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000250777467 497269877 /nfs/dbraw/zinc/26/98/77/497269877.db2.gz VPBBOICFRQISAP-RTWAWAEBSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000250777467 497269883 /nfs/dbraw/zinc/26/98/83/497269883.db2.gz VPBBOICFRQISAP-RTWAWAEBSA-N 2 1 357.542 3.420 20 0 FGADMP COc1ccccc1/C=C/C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000271185923 497284277 /nfs/dbraw/zinc/28/42/77/497284277.db2.gz DQLDLHOEJLLMMQ-SOFGYWHQSA-N 2 1 357.542 3.199 20 0 FGADMP Cc1ccoc1C[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000266230996 497285039 /nfs/dbraw/zinc/28/50/39/497285039.db2.gz UOSNNUQOPIUXFG-UHFFFAOYSA-N 2 1 358.482 3.367 20 0 FGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)c2C1 ZINC000278993629 497294440 /nfs/dbraw/zinc/29/44/40/497294440.db2.gz LHWFORZUPXGUKL-HNNXBMFYSA-N 2 1 367.497 3.101 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCNc3ccccc32)C1 ZINC000193277518 497339307 /nfs/dbraw/zinc/33/93/07/497339307.db2.gz CRVOGKNFAADTKN-UGKGYDQZSA-N 2 1 351.494 3.290 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000271426014 497345538 /nfs/dbraw/zinc/34/55/38/497345538.db2.gz AGUNTRRCXAJDAZ-GIVPXCGWSA-N 2 1 350.510 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCN(c2ccccn2)C1 ZINC000271426014 497345543 /nfs/dbraw/zinc/34/55/43/497345543.db2.gz AGUNTRRCXAJDAZ-GIVPXCGWSA-N 2 1 350.510 3.161 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000279212716 497369234 /nfs/dbraw/zinc/36/92/34/497369234.db2.gz YIBFROMDEBBCAO-UZLBHIALSA-N 2 1 352.482 3.040 20 0 FGADMP C[C@H](C(=O)NCC1CC[NH+](Cc2cccs2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245200994 497375762 /nfs/dbraw/zinc/37/57/62/497375762.db2.gz DUGSFWFELXPHPR-IXDOHACOSA-N 2 1 363.571 3.338 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275634746 497388818 /nfs/dbraw/zinc/38/88/18/497388818.db2.gz SOQJGFDZTQLUAH-JKSUJKDBSA-N 2 1 374.916 3.126 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000578285217 505904379 /nfs/dbraw/zinc/90/43/79/505904379.db2.gz ZNYURRZWQLKKTG-CEMLEFRQSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000578285217 505904382 /nfs/dbraw/zinc/90/43/82/505904382.db2.gz ZNYURRZWQLKKTG-CEMLEFRQSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000578285217 505904386 /nfs/dbraw/zinc/90/43/86/505904386.db2.gz ZNYURRZWQLKKTG-CEMLEFRQSA-N 2 1 371.569 3.474 20 0 FGADMP CC(C)N(C(=O)[C@@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C(C)C ZINC000578285217 505904390 /nfs/dbraw/zinc/90/43/90/505904390.db2.gz ZNYURRZWQLKKTG-CEMLEFRQSA-N 2 1 371.569 3.474 20 0 FGADMP C[C@H](C(=O)N1CCC(C)CC1)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245443324 497410351 /nfs/dbraw/zinc/41/03/51/497410351.db2.gz IRDQWBANJOLTSI-TZIWHRDSSA-N 2 1 357.542 3.087 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C1 ZINC000245450953 497414622 /nfs/dbraw/zinc/41/46/22/497414622.db2.gz PBGIHKHRNBQCLJ-HZPDHXFCSA-N 2 1 351.922 3.133 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000279472351 497448437 /nfs/dbraw/zinc/44/84/37/497448437.db2.gz KCMCMMDQSAECRX-WTOYTKOKSA-N 2 1 354.494 3.119 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(Br)c1O ZINC000266989677 497462885 /nfs/dbraw/zinc/46/28/85/497462885.db2.gz XKOOMIKEXRGFNH-UHFFFAOYSA-N 2 1 369.303 3.270 20 0 FGADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccc3c[nH]nc3c2)C1 ZINC000190456582 497485697 /nfs/dbraw/zinc/48/56/97/497485697.db2.gz XEYFURRSOVBCRY-MRXNPFEDSA-N 2 1 355.511 3.282 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261992468 497489077 /nfs/dbraw/zinc/48/90/77/497489077.db2.gz SMLSYUNUVOPCOD-HOTGVXAUSA-N 2 1 366.347 3.127 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000262022944 497493845 /nfs/dbraw/zinc/49/38/45/497493845.db2.gz YJUQVLHEXZUSDI-OAQYLSRUSA-N 2 1 371.550 3.275 20 0 FGADMP c1ccc(Sc2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000262123458 497512427 /nfs/dbraw/zinc/51/24/27/497512427.db2.gz MMVIJPUXDWFDGN-LJQANCHMSA-N 2 1 353.535 3.317 20 0 FGADMP c1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000262130416 497513518 /nfs/dbraw/zinc/51/35/18/497513518.db2.gz YCHMABSBOTVTCP-JOCHJYFZSA-N 2 1 359.477 3.120 20 0 FGADMP c1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000262130416 497513521 /nfs/dbraw/zinc/51/35/21/497513521.db2.gz YCHMABSBOTVTCP-JOCHJYFZSA-N 2 1 359.477 3.120 20 0 FGADMP OCCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245716367 497513536 /nfs/dbraw/zinc/51/35/36/497513536.db2.gz ODOBDSZLFMRUPY-DKUWSORSSA-N 2 1 366.505 3.343 20 0 FGADMP OCCOc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245716367 497513541 /nfs/dbraw/zinc/51/35/41/497513541.db2.gz ODOBDSZLFMRUPY-DKUWSORSSA-N 2 1 366.505 3.343 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@@H]2CCOC2)C3)cc1 ZINC000245717295 497513921 /nfs/dbraw/zinc/51/39/21/497513921.db2.gz OFAUYXBMWHFLRH-KJJMTIBFSA-N 2 1 358.526 3.215 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000276279231 497534620 /nfs/dbraw/zinc/53/46/20/497534620.db2.gz UABAXDJNDMIXRY-MDASCCDHSA-N 2 1 372.912 3.239 20 0 FGADMP COCC1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]CC1 ZINC000262432447 497556083 /nfs/dbraw/zinc/55/60/83/497556083.db2.gz WTHITUKNFWQRSJ-KRWDZBQOSA-N 2 1 359.514 3.016 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000279843374 497560778 /nfs/dbraw/zinc/56/07/78/497560778.db2.gz ZYIZFKDKBXDIJA-KKSFZXQISA-N 2 1 354.498 3.428 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(-n2cncn2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272209562 497565226 /nfs/dbraw/zinc/56/52/26/497565226.db2.gz PXQPGIXQFQDDOF-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000245906879 497566835 /nfs/dbraw/zinc/56/68/35/497566835.db2.gz IISXKCWFAUOIPJ-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](Cc1ccccc1C[N@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245906879 497566838 /nfs/dbraw/zinc/56/68/38/497566838.db2.gz IISXKCWFAUOIPJ-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP C[NH+](Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245906879 497566839 /nfs/dbraw/zinc/56/68/39/497566839.db2.gz IISXKCWFAUOIPJ-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)CC2)oc1C ZINC000245915413 497570407 /nfs/dbraw/zinc/57/04/07/497570407.db2.gz PYJRQFYIOCFXEB-MISYRCLQSA-N 2 1 361.530 3.297 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267535732 497574291 /nfs/dbraw/zinc/57/42/91/497574291.db2.gz VNKNZYPAFIWCAM-FXAWDEMLSA-N 2 1 372.534 3.233 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267535732 497574294 /nfs/dbraw/zinc/57/42/94/497574294.db2.gz VNKNZYPAFIWCAM-FXAWDEMLSA-N 2 1 372.534 3.233 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000246140243 497634495 /nfs/dbraw/zinc/63/44/95/497634495.db2.gz BVPHLAZSXDOSIV-QFUCXCTJSA-N 2 1 370.541 3.056 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000262870857 497643547 /nfs/dbraw/zinc/64/35/47/497643547.db2.gz MHQWAUSXDJMSLW-FDDCHVKYSA-N 2 1 365.521 3.409 20 0 FGADMP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)C(C)C ZINC000194406869 497656240 /nfs/dbraw/zinc/65/62/40/497656240.db2.gz RBDFTLZRRPLLGS-LJQANCHMSA-N 2 1 359.558 3.442 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)c1 ZINC000268020489 497660467 /nfs/dbraw/zinc/66/04/67/497660467.db2.gz VOMFKHWMPTWPLD-UHFFFAOYSA-N 2 1 372.513 3.005 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000246210453 497661553 /nfs/dbraw/zinc/66/15/53/497661553.db2.gz KGJRGJSBMDDPDA-IFMALSPDSA-N 2 1 371.569 3.132 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000246283238 497683747 /nfs/dbraw/zinc/68/37/47/497683747.db2.gz CHHSSNKOXHKRAH-WOJBJXKFSA-N 2 1 364.578 3.158 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000246392177 497718300 /nfs/dbraw/zinc/71/83/00/497718300.db2.gz JEQVRXKEUOBWSA-HSALFYBXSA-N 2 1 366.594 3.115 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246397983 497720763 /nfs/dbraw/zinc/72/07/63/497720763.db2.gz JTRWKLKAUBCCDC-ZJOUEHCJSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246397983 497720770 /nfs/dbraw/zinc/72/07/70/497720770.db2.gz JTRWKLKAUBCCDC-ZJOUEHCJSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000246397983 497720775 /nfs/dbraw/zinc/72/07/75/497720775.db2.gz JTRWKLKAUBCCDC-ZJOUEHCJSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237867 497739680 /nfs/dbraw/zinc/73/96/80/497739680.db2.gz OGSZMGDNABTYGQ-AZUAARDMSA-N 2 1 363.933 3.282 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237867 497739685 /nfs/dbraw/zinc/73/96/85/497739685.db2.gz OGSZMGDNABTYGQ-AZUAARDMSA-N 2 1 363.933 3.282 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000246520460 497761215 /nfs/dbraw/zinc/76/12/15/497761215.db2.gz XIUARTCRGLFKJX-LEWJYISDSA-N 2 1 372.557 3.339 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000268522568 497772652 /nfs/dbraw/zinc/77/26/52/497772652.db2.gz UZAZOXSGKNEOOU-UHFFFAOYSA-N 2 1 351.376 3.277 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1ccccc1F ZINC000246566573 497776943 /nfs/dbraw/zinc/77/69/43/497776943.db2.gz LJQZWNZCYLIHBX-QFBILLFUSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@H](NC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1=CC[N@@H+](C)CC1 ZINC000272995204 497780660 /nfs/dbraw/zinc/78/06/60/497780660.db2.gz QPHYZUMAMRAXIV-SFHVURJKSA-N 2 1 370.541 3.487 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000246579363 497780720 /nfs/dbraw/zinc/78/07/20/497780720.db2.gz SBBPGSYGNYDTRT-IFMALSPDSA-N 2 1 365.521 3.447 20 0 FGADMP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000246642203 497793306 /nfs/dbraw/zinc/79/33/06/497793306.db2.gz KWEAVQBQIPMYGR-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@@H]2OCCC[C@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246642203 497793311 /nfs/dbraw/zinc/79/33/11/497793311.db2.gz KWEAVQBQIPMYGR-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@@H]2OCCC[C@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246642203 497793316 /nfs/dbraw/zinc/79/33/16/497793316.db2.gz KWEAVQBQIPMYGR-WOZUAGRISA-N 2 1 350.547 3.159 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246717835 497803841 /nfs/dbraw/zinc/80/38/41/497803841.db2.gz UQYFJQSNYSKUGF-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000572272315 505930534 /nfs/dbraw/zinc/93/05/34/505930534.db2.gz DLWCWDWCNSTJDN-PWRODBHTSA-N 2 1 368.525 3.242 20 0 FGADMP Cc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000246747676 497807502 /nfs/dbraw/zinc/80/75/02/497807502.db2.gz NBHAVKTXEXBRHH-UONOGXRCSA-N 2 1 368.319 3.111 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+]1CCCC1 ZINC000246825962 497814129 /nfs/dbraw/zinc/81/41/29/497814129.db2.gz JYBYHTBUWHCISD-UFYCRDLUSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000246860780 497817371 /nfs/dbraw/zinc/81/73/71/497817371.db2.gz CHUWHZFMXMZTSX-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000246860780 497817372 /nfs/dbraw/zinc/81/73/72/497817372.db2.gz CHUWHZFMXMZTSX-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000246860780 497817373 /nfs/dbraw/zinc/81/73/73/497817373.db2.gz CHUWHZFMXMZTSX-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000569452760 505939242 /nfs/dbraw/zinc/93/92/42/505939242.db2.gz QVPRCIXSNYFZHA-LEWJYISDSA-N 2 1 365.521 3.493 20 0 FGADMP CC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)c1ccc(C)cc1 ZINC000364279995 497877156 /nfs/dbraw/zinc/87/71/56/497877156.db2.gz GVNZFLMTTHUNRF-SFTDATJTSA-N 2 1 372.557 3.256 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(-c2ccccc2)nc1C ZINC000578470371 505947141 /nfs/dbraw/zinc/94/71/41/505947141.db2.gz BVCKQKHOJLCFPA-JOCHJYFZSA-N 2 1 369.557 3.029 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC([NH+](C)C)CC3)c2c1C ZINC000301087690 497946588 /nfs/dbraw/zinc/94/65/88/497946588.db2.gz NHZMNBYPYUAMLW-UHFFFAOYSA-N 2 1 373.570 3.434 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000581299455 505955374 /nfs/dbraw/zinc/95/53/74/505955374.db2.gz QPMPSAGUDVNGQX-QGZVFWFLSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H]1C[N@H+](CCCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H](C)O1 ZINC000575319208 505960846 /nfs/dbraw/zinc/96/08/46/505960846.db2.gz MAXGZFSQNAWQEM-NSHGMRRFSA-N 2 1 367.578 3.070 20 0 FGADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000578561371 505967896 /nfs/dbraw/zinc/96/78/96/505967896.db2.gz AFOHLLHWQXSTMQ-WWDZGPRUSA-N 2 1 371.525 3.304 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1 ZINC000578561371 505967900 /nfs/dbraw/zinc/96/79/00/505967900.db2.gz AFOHLLHWQXSTMQ-WWDZGPRUSA-N 2 1 371.525 3.304 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000572483603 505979923 /nfs/dbraw/zinc/97/99/23/505979923.db2.gz HJHSAIPQGXFNER-HSQYWUDLSA-N 2 1 365.521 3.339 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364767641 498133601 /nfs/dbraw/zinc/13/36/01/498133601.db2.gz BOSMWSVQTVGLSK-JRGCBEDISA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285616823 498148263 /nfs/dbraw/zinc/14/82/63/498148263.db2.gz JMAGRZWBBMDALH-HKJQZYRSSA-N 2 1 357.542 3.180 20 0 FGADMP COCc1noc([C@H](C)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000364877295 498188129 /nfs/dbraw/zinc/18/81/29/498188129.db2.gz FDFVDHYTMSBVAO-KRWDZBQOSA-N 2 1 370.497 3.265 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686285 505993706 /nfs/dbraw/zinc/99/37/06/505993706.db2.gz JNERRXKQMJFYOE-ZFWWWQNUSA-N 2 1 361.313 3.055 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950714 498207620 /nfs/dbraw/zinc/20/76/20/498207620.db2.gz KPRYCIAWUBAILO-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950714 498207625 /nfs/dbraw/zinc/20/76/25/498207625.db2.gz KPRYCIAWUBAILO-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)C1 ZINC000292950714 498207631 /nfs/dbraw/zinc/20/76/31/498207631.db2.gz KPRYCIAWUBAILO-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000581486897 505999604 /nfs/dbraw/zinc/99/96/04/505999604.db2.gz INBXPRHVAXFWSU-CRAIPNDOSA-N 2 1 371.447 3.334 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000285906160 498237590 /nfs/dbraw/zinc/23/75/90/498237590.db2.gz CXRVKNIDWOXEPH-ZOBUZTSGSA-N 2 1 368.543 3.322 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000285906160 498237594 /nfs/dbraw/zinc/23/75/94/498237594.db2.gz CXRVKNIDWOXEPH-ZOBUZTSGSA-N 2 1 368.543 3.322 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)c2cc1OCC ZINC000301743709 498248432 /nfs/dbraw/zinc/24/84/32/498248432.db2.gz GDCXEKWZBQZGDU-VLIAUNLRSA-N 2 1 359.470 3.163 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)c2cc1OCC ZINC000301743709 498248434 /nfs/dbraw/zinc/24/84/34/498248434.db2.gz GDCXEKWZBQZGDU-VLIAUNLRSA-N 2 1 359.470 3.163 20 0 FGADMP CC(C)n1ncnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000365013563 498254679 /nfs/dbraw/zinc/25/46/79/498254679.db2.gz AJDCYURRKQJRRV-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP CC(C)n1ncnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000365013563 498254684 /nfs/dbraw/zinc/25/46/84/498254684.db2.gz AJDCYURRKQJRRV-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP CC[C@@H](C)[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000360465219 498277555 /nfs/dbraw/zinc/27/75/55/498277555.db2.gz DUTNKECNBNFHJD-QZTJIDSGSA-N 2 1 351.579 3.323 20 0 FGADMP c1c[nH]c([C@@H](NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)c2ccncc2)n1 ZINC000365062837 498279150 /nfs/dbraw/zinc/27/91/50/498279150.db2.gz APHVFIKPSXKFLE-SFTDATJTSA-N 2 1 361.493 3.191 20 0 FGADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000578745249 506011269 /nfs/dbraw/zinc/01/12/69/506011269.db2.gz LSRGCDKXTLJGSH-DOMZBBRYSA-N 2 1 370.324 3.072 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289799201 498298686 /nfs/dbraw/zinc/29/86/86/498298686.db2.gz SFKRKEFFPMAKGP-HZEGPAAWSA-N 2 1 368.525 3.233 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790456 498308626 /nfs/dbraw/zinc/30/86/26/498308626.db2.gz GZVORPGPMSSBFW-HJNYFJLDSA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790456 498308633 /nfs/dbraw/zinc/30/86/33/498308633.db2.gz GZVORPGPMSSBFW-HJNYFJLDSA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000360790456 498308637 /nfs/dbraw/zinc/30/86/37/498308637.db2.gz GZVORPGPMSSBFW-HJNYFJLDSA-N 2 1 359.477 3.002 20 0 FGADMP COC[C@H]([NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000361035434 498335786 /nfs/dbraw/zinc/33/57/86/498335786.db2.gz ZOFFYMOEBZRKIJ-FCNFAXOHSA-N 2 1 368.468 3.131 20 0 FGADMP C[C@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365204407 498350070 /nfs/dbraw/zinc/35/00/70/498350070.db2.gz QGVUVHCIPMVWSW-GHTZIAJQSA-N 2 1 358.526 3.420 20 0 FGADMP CC(C)c1nccn1CCC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000361187858 498358365 /nfs/dbraw/zinc/35/83/65/498358365.db2.gz BJJAVZBLODZCCT-PKOBYXMFSA-N 2 1 358.461 3.097 20 0 FGADMP Fc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccc(F)cn2)CC3)nc1 ZINC000365295492 498391875 /nfs/dbraw/zinc/39/18/75/498391875.db2.gz XTSCEHJJQCCTAM-UHFFFAOYSA-N 2 1 358.436 3.243 20 0 FGADMP COc1cccc(OC)c1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000286458931 498404894 /nfs/dbraw/zinc/40/48/94/498404894.db2.gz KFIMBYQGDHNHQO-UHFFFAOYSA-N 2 1 373.497 3.310 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000569846273 506029668 /nfs/dbraw/zinc/02/96/68/506029668.db2.gz HQDQXWGNNBYNQP-OALUTQOASA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000297344676 498413835 /nfs/dbraw/zinc/41/38/35/498413835.db2.gz HLTLKEBMBVPYET-QFIPXVFZSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000297344676 498413842 /nfs/dbraw/zinc/41/38/42/498413842.db2.gz HLTLKEBMBVPYET-QFIPXVFZSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000297344676 498413848 /nfs/dbraw/zinc/41/38/48/498413848.db2.gz HLTLKEBMBVPYET-QFIPXVFZSA-N 2 1 372.557 3.154 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000365411539 498453709 /nfs/dbraw/zinc/45/37/09/498453709.db2.gz CUXFWJDPGBMCNT-UHFFFAOYSA-N 2 1 370.888 3.109 20 0 FGADMP Cc1ccc(-c2ncc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)s2)cc1 ZINC000282305223 498459816 /nfs/dbraw/zinc/45/98/16/498459816.db2.gz KBAIUPKMSQMSSF-UHFFFAOYSA-N 2 1 358.555 3.234 20 0 FGADMP Cc1cc([C@H](C)NCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)oc1C ZINC000282390664 498491761 /nfs/dbraw/zinc/49/17/61/498491761.db2.gz XLBITBNXJZNUQI-OXJNMPFZSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)oc1C ZINC000282390664 498491767 /nfs/dbraw/zinc/49/17/67/498491767.db2.gz XLBITBNXJZNUQI-OXJNMPFZSA-N 2 1 369.509 3.445 20 0 FGADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)oc1C ZINC000282390664 498491774 /nfs/dbraw/zinc/49/17/74/498491774.db2.gz XLBITBNXJZNUQI-OXJNMPFZSA-N 2 1 369.509 3.445 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335507 498512830 /nfs/dbraw/zinc/51/28/30/498512830.db2.gz FBDZYOMZGGRSLI-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335507 498512836 /nfs/dbraw/zinc/51/28/36/498512836.db2.gz FBDZYOMZGGRSLI-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335507 498512841 /nfs/dbraw/zinc/51/28/41/498512841.db2.gz FBDZYOMZGGRSLI-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335507 498512848 /nfs/dbraw/zinc/51/28/48/498512848.db2.gz FBDZYOMZGGRSLI-FXAWDEMLSA-N 2 1 369.509 3.441 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000362420327 498514112 /nfs/dbraw/zinc/51/41/12/498514112.db2.gz WTTHSICGYCRYIO-KRWDZBQOSA-N 2 1 355.448 3.165 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294010462 498561570 /nfs/dbraw/zinc/56/15/70/498561570.db2.gz DGNASMKUQPDUQG-JKSUJKDBSA-N 2 1 354.454 3.143 20 0 FGADMP C=Cn1cc(C[N@@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cn1 ZINC000290490953 498572025 /nfs/dbraw/zinc/57/20/25/498572025.db2.gz OPTPTAMCNZHKQA-UHFFFAOYSA-N 2 1 369.513 3.100 20 0 FGADMP C=Cn1cc(C[N@H+](C)C2CCN(Cc3[nH+]cc(C)c(OC)c3C)CC2)cn1 ZINC000290490953 498572034 /nfs/dbraw/zinc/57/20/34/498572034.db2.gz OPTPTAMCNZHKQA-UHFFFAOYSA-N 2 1 369.513 3.100 20 0 FGADMP C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282592202 498573171 /nfs/dbraw/zinc/57/31/71/498573171.db2.gz LUQOXBJIMKWFBO-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH+]4CCC3CC4)c2c1C ZINC000302787111 498575082 /nfs/dbraw/zinc/57/50/82/498575082.db2.gz WQADFGCCIZBNDM-UHFFFAOYSA-N 2 1 371.554 3.188 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC000290549565 498592692 /nfs/dbraw/zinc/59/26/92/498592692.db2.gz PXSYYSXJFVGNBT-QGZVFWFLSA-N 2 1 374.554 3.186 20 0 FGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037206 506060813 /nfs/dbraw/zinc/06/08/13/506060813.db2.gz RTKSIDQTRBGNFQ-PKOBYXMFSA-N 2 1 363.933 3.282 20 0 FGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000576037206 506060815 /nfs/dbraw/zinc/06/08/15/506060815.db2.gz RTKSIDQTRBGNFQ-PKOBYXMFSA-N 2 1 363.933 3.282 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cn4c(cccc4C)n3)CC2)nc(C)[nH+]1 ZINC000363044270 498620668 /nfs/dbraw/zinc/62/06/68/498620668.db2.gz NWHGZCBMRBJQQH-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cn4c(cccc4C)n3)CC2)nc(C)[nH+]1 ZINC000363044270 498620675 /nfs/dbraw/zinc/62/06/75/498620675.db2.gz NWHGZCBMRBJQQH-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP Cc1nccn1CCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000290620614 498621738 /nfs/dbraw/zinc/62/17/38/498621738.db2.gz XGENPKMSDUXWOA-UHFFFAOYSA-N 3 1 369.557 3.244 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000302959683 498634142 /nfs/dbraw/zinc/63/41/42/498634142.db2.gz FUVKUXWZVYJIGW-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000303027041 498641714 /nfs/dbraw/zinc/64/17/14/498641714.db2.gz SMBDCPJETQYRGQ-DYXWJJEUSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064437 498644400 /nfs/dbraw/zinc/64/44/00/498644400.db2.gz YKNSLHFGPCKUPE-FPOVZHCZSA-N 2 1 357.542 3.137 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c2cccs2)CC1 ZINC000572856870 506069472 /nfs/dbraw/zinc/06/94/72/506069472.db2.gz YFZGLJFMZMILAV-UFYCRDLUSA-N 2 1 355.551 3.430 20 0 FGADMP C[C@@H]1CCC[C@H](NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000363172061 498685704 /nfs/dbraw/zinc/68/57/04/498685704.db2.gz HIILTHGJNSLGGU-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1O ZINC000290819170 498689031 /nfs/dbraw/zinc/68/90/31/498689031.db2.gz WWKDBELBKWNXEQ-OXJNMPFZSA-N 2 1 370.493 3.208 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290836852 498695315 /nfs/dbraw/zinc/69/53/15/498695315.db2.gz IMEAZPUKICWKQM-MRXNPFEDSA-N 2 1 366.292 3.245 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccnc(Cl)c2Cl)C1 ZINC000290836852 498695317 /nfs/dbraw/zinc/69/53/17/498695317.db2.gz IMEAZPUKICWKQM-MRXNPFEDSA-N 2 1 366.292 3.245 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)[C@H]1c1cccc(Cl)c1 ZINC000365967034 498716592 /nfs/dbraw/zinc/71/65/92/498716592.db2.gz GASHZTWOVBCMDM-YLJYHZDGSA-N 2 1 363.933 3.181 20 0 FGADMP FC(F)(F)c1cnc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000298424619 498767194 /nfs/dbraw/zinc/76/71/94/498767194.db2.gz MTWKGRVLQNVIFI-UHFFFAOYSA-N 2 1 363.811 3.349 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC ZINC000314387557 498775088 /nfs/dbraw/zinc/77/50/88/498775088.db2.gz RRKLCAFHZPTTJA-GFCCVEGCSA-N 2 1 359.308 3.144 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1(C)C ZINC000294714155 498780622 /nfs/dbraw/zinc/78/06/22/498780622.db2.gz CAXOSLFKBLDQHJ-OAQYLSRUSA-N 2 1 359.558 3.464 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363373021 498785340 /nfs/dbraw/zinc/78/53/40/498785340.db2.gz AVUHHLGMTBOTGS-NHCUHLMSSA-N 2 1 370.541 3.463 20 0 FGADMP FC(F)(F)Oc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000298560865 498813598 /nfs/dbraw/zinc/81/35/98/498813598.db2.gz VYLYFUYUHBLAGU-OAHLLOKOSA-N 2 1 369.431 3.380 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)Oc1ccccc1F ZINC000366212148 498826470 /nfs/dbraw/zinc/82/64/70/498826470.db2.gz UKNHSOXZBXVJIJ-DODZYUBVSA-N 2 1 350.478 3.072 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000366260544 498848055 /nfs/dbraw/zinc/84/80/55/498848055.db2.gz RXYGZOYFNZZZPH-DLBZAZTESA-N 2 1 361.917 3.161 20 0 FGADMP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C)[C@@H]3c3cccs3)cc2sc1=O ZINC000366275130 498852961 /nfs/dbraw/zinc/85/29/61/498852961.db2.gz ARPZSJMBIVNUHC-KDOFPFPSSA-N 2 1 373.547 3.444 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(F)ccc(C2OCCO2)c1Cl ZINC000291238744 498857719 /nfs/dbraw/zinc/85/77/19/498857719.db2.gz UUQGXAFDIVVRAM-UHFFFAOYSA-N 2 1 353.825 3.209 20 0 FGADMP COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC(F)F ZINC000581971262 506102588 /nfs/dbraw/zinc/10/25/88/506102588.db2.gz OOJXTJMCAFDIEL-HNNXBMFYSA-N 2 1 354.441 3.460 20 0 FGADMP CCc1cccc(N(C)C(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)c1 ZINC000579141639 506103269 /nfs/dbraw/zinc/10/32/69/506103269.db2.gz NDRLLRMQFRFQRI-UHFFFAOYSA-N 2 1 357.542 3.408 20 0 FGADMP CCc1noc(C)c1CN(C)C[C@@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1 ZINC000328643575 498887198 /nfs/dbraw/zinc/88/71/98/498887198.db2.gz RLALQUWFLSZHBA-OXJNMPFZSA-N 2 1 359.518 3.184 20 0 FGADMP CCc1noc(C)c1C[N@@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000328643575 498887203 /nfs/dbraw/zinc/88/72/03/498887203.db2.gz RLALQUWFLSZHBA-OXJNMPFZSA-N 2 1 359.518 3.184 20 0 FGADMP CCc1noc(C)c1C[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000328643575 498887205 /nfs/dbraw/zinc/88/72/05/498887205.db2.gz RLALQUWFLSZHBA-OXJNMPFZSA-N 2 1 359.518 3.184 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1=O ZINC000295036680 498888795 /nfs/dbraw/zinc/88/87/95/498888795.db2.gz PCFMZLVQKKCNOS-TTYHFUOFSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1=O ZINC000295036680 498888803 /nfs/dbraw/zinc/88/88/03/498888803.db2.gz PCFMZLVQKKCNOS-TTYHFUOFSA-N 2 1 359.489 3.094 20 0 FGADMP C[C@H](NCc1ncc(C(F)(F)F)cn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295040314 498889178 /nfs/dbraw/zinc/88/91/78/498889178.db2.gz ORURJRCVTKOSTA-GOEBONIOSA-N 2 1 364.415 3.496 20 0 FGADMP CC(C)(CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000581991702 506108149 /nfs/dbraw/zinc/10/81/49/506108149.db2.gz YBYHNVGQXVNMCF-UHFFFAOYSA-N 2 1 364.493 3.248 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000363673541 498936054 /nfs/dbraw/zinc/93/60/54/498936054.db2.gz PXTRQMBHXUTKIB-IKGGRYGDSA-N 2 1 362.518 3.119 20 0 FGADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000579227542 506125082 /nfs/dbraw/zinc/12/50/82/506125082.db2.gz OMRACEABNXDNCQ-CQSZACIVSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(c1ccc2nccn2c1)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288413534 499018663 /nfs/dbraw/zinc/01/86/63/499018663.db2.gz NMPIDQYDFGPYHF-JOCHJYFZSA-N 2 1 360.461 3.073 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000333889336 499094076 /nfs/dbraw/zinc/09/40/76/499094076.db2.gz WSYFIBDMKSPORN-GXTWGEPZSA-N 2 1 363.449 3.189 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3CC[NH+](C)CC3)cc2)C1 ZINC000291902660 499097754 /nfs/dbraw/zinc/09/77/54/499097754.db2.gz KDOADNIZHRYSQC-QGZVFWFLSA-N 2 1 359.514 3.078 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000364046343 499098430 /nfs/dbraw/zinc/09/84/30/499098430.db2.gz BZKMIGMDQHFWQF-NMLACTOBSA-N 2 1 366.933 3.027 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+][C@H]3CCCC34CCOCC4)CC2)CC1 ZINC000367091645 499147436 /nfs/dbraw/zinc/14/74/36/499147436.db2.gz ANDJREKBIHLPJE-NRFANRHFSA-N 3 1 363.590 3.122 20 0 FGADMP COCCCn1nccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000367222478 499163931 /nfs/dbraw/zinc/16/39/31/499163931.db2.gz AWIGTKSIYPDXAF-NRFANRHFSA-N 2 1 370.541 3.310 20 0 FGADMP COCCCn1nccc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000367222478 499163933 /nfs/dbraw/zinc/16/39/33/499163933.db2.gz AWIGTKSIYPDXAF-NRFANRHFSA-N 2 1 370.541 3.310 20 0 FGADMP C[N@@H+](CCOCC(F)(F)C(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372720172 499165930 /nfs/dbraw/zinc/16/59/30/499165930.db2.gz ACTNOZSEMXXEHF-UHFFFAOYSA-N 2 1 363.399 3.147 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000367259982 499169644 /nfs/dbraw/zinc/16/96/44/499169644.db2.gz YXAWBNHMPFLAAV-OAQYLSRUSA-N 2 1 363.590 3.469 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000367295288 499175233 /nfs/dbraw/zinc/17/52/33/499175233.db2.gz IWFYTSULHVKLAF-SFHVURJKSA-N 2 1 370.541 3.476 20 0 FGADMP CCC[C@@]1(CO)CC[NH+](CCCCC[N@@H+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367369953 499189657 /nfs/dbraw/zinc/18/96/57/499189657.db2.gz JJAKQVMIRVQXIE-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CCC[C@@]1(CO)CC[N@@H+](CCCCC[NH+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367369953 499189658 /nfs/dbraw/zinc/18/96/58/499189658.db2.gz JJAKQVMIRVQXIE-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CCC[C@@]1(CO)CC[N@H+](CCCCC[NH+]2CC[C@@](CO)(CCC)C2)C1 ZINC000367369953 499189661 /nfs/dbraw/zinc/18/96/61/499189661.db2.gz JJAKQVMIRVQXIE-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CCC(CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370263904 499203588 /nfs/dbraw/zinc/20/35/88/499203588.db2.gz CKGMNEJBIWYBQJ-UHFFFAOYSA-N 2 1 352.567 3.013 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000367620104 499218677 /nfs/dbraw/zinc/21/86/77/499218677.db2.gz PZYIAVMCNLAVFS-NUUXYWTLSA-N 2 1 351.535 3.285 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000370653957 499240263 /nfs/dbraw/zinc/24/02/63/499240263.db2.gz VPXXYVDYUXRXPX-ZTNFWEORSA-N 2 1 359.489 3.329 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368025674 499256668 /nfs/dbraw/zinc/25/66/68/499256668.db2.gz XWQXAEBGYBRNFO-MBPVOVBZSA-N 2 1 371.525 3.058 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000368051892 499259939 /nfs/dbraw/zinc/25/99/39/499259939.db2.gz QTWIOJNNTBVDJH-HNNXBMFYSA-N 2 1 373.513 3.195 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(CSC(F)F)o3)C2)CC1 ZINC000368051892 499259940 /nfs/dbraw/zinc/25/99/40/499259940.db2.gz QTWIOJNNTBVDJH-HNNXBMFYSA-N 2 1 373.513 3.195 20 0 FGADMP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000368101820 499264129 /nfs/dbraw/zinc/26/41/29/499264129.db2.gz LQYAVKQBNLCZCD-MUGJNUQGSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000368101820 499264130 /nfs/dbraw/zinc/26/41/30/499264130.db2.gz LQYAVKQBNLCZCD-MUGJNUQGSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000368101820 499264132 /nfs/dbraw/zinc/26/41/32/499264132.db2.gz LQYAVKQBNLCZCD-MUGJNUQGSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)CC2 ZINC000368101821 499264281 /nfs/dbraw/zinc/26/42/81/499264281.db2.gz LQYAVKQBNLCZCD-NMLBUPMWSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000368101821 499264282 /nfs/dbraw/zinc/26/42/82/499264282.db2.gz LQYAVKQBNLCZCD-NMLBUPMWSA-N 2 1 350.510 3.157 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000368101821 499264284 /nfs/dbraw/zinc/26/42/84/499264284.db2.gz LQYAVKQBNLCZCD-NMLBUPMWSA-N 2 1 350.510 3.157 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(F)cc1 ZINC000368165085 499270579 /nfs/dbraw/zinc/27/05/79/499270579.db2.gz ONZYVNXVNICSGM-UXHICEINSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(F)cc1 ZINC000368165085 499270580 /nfs/dbraw/zinc/27/05/80/499270580.db2.gz ONZYVNXVNICSGM-UXHICEINSA-N 2 1 355.457 3.063 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000573199285 506141662 /nfs/dbraw/zinc/14/16/62/506141662.db2.gz SCQGGGNTUOKMSV-ABSDTBQOSA-N 2 1 368.949 3.489 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371034106 499282250 /nfs/dbraw/zinc/28/22/50/499282250.db2.gz MVALZRUUJKABLY-AZUAARDMSA-N 2 1 364.578 3.014 20 0 FGADMP CCN(C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)[C@H](C)C(C)C ZINC000371079936 499286852 /nfs/dbraw/zinc/28/68/52/499286852.db2.gz ZVIJXXLFUZFHSD-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371082308 499287121 /nfs/dbraw/zinc/28/71/21/499287121.db2.gz VXGDIMPIHYYNBY-LJQANCHMSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C=C(C3CC3)C3CC3)CC2)CC1 ZINC000371095023 499288163 /nfs/dbraw/zinc/28/81/63/499288163.db2.gz SRQPLGYGYLXHJG-UHFFFAOYSA-N 2 1 359.558 3.045 20 0 FGADMP CC1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000368380950 499290658 /nfs/dbraw/zinc/29/06/58/499290658.db2.gz QREJAFOLQBYEKQ-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Cl)nc3)CC2)CC1 ZINC000371158478 499294578 /nfs/dbraw/zinc/29/45/78/499294578.db2.gz UCNVIUZBTIBGKV-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000368473534 499299446 /nfs/dbraw/zinc/29/94/46/499299446.db2.gz ICRFCYVCSQKGFN-MSOLQXFVSA-N 2 1 357.498 3.114 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000582130079 506140366 /nfs/dbraw/zinc/14/03/66/506140366.db2.gz PPTDQKWRETWOCO-ROUUACIJSA-N 2 1 350.869 3.180 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@H]43)cc2)n1 ZINC000371291878 499306351 /nfs/dbraw/zinc/30/63/51/499306351.db2.gz ADWJNWRLBPFBPF-BHDDXSALSA-N 2 1 368.525 3.173 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@H]43)cc2)n1 ZINC000371291881 499306362 /nfs/dbraw/zinc/30/63/62/499306362.db2.gz ADWJNWRLBPFBPF-YPAWHYETSA-N 2 1 368.525 3.173 20 0 FGADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000371296210 499307037 /nfs/dbraw/zinc/30/70/37/499307037.db2.gz XRTDATUJWXJMJZ-NLWGTHIKSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1OCC ZINC000371296210 499307039 /nfs/dbraw/zinc/30/70/39/499307039.db2.gz XRTDATUJWXJMJZ-NLWGTHIKSA-N 2 1 362.514 3.168 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371302990 499307730 /nfs/dbraw/zinc/30/77/30/499307730.db2.gz LXUAVRRDRQQFBO-SFTDATJTSA-N 2 1 359.558 3.030 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000368784605 499332382 /nfs/dbraw/zinc/33/23/82/499332382.db2.gz OGPSSMIFCAJQRO-HNNXBMFYSA-N 2 1 369.962 3.214 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369047787 499360337 /nfs/dbraw/zinc/36/03/37/499360337.db2.gz LMXVPFQTIIQNEV-QFIPXVFZSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1OC ZINC000371900338 499376578 /nfs/dbraw/zinc/37/65/78/499376578.db2.gz XKFLHEWGNZOPAZ-UHFFFAOYSA-N 2 1 355.482 3.447 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000369547578 499415537 /nfs/dbraw/zinc/41/55/37/499415537.db2.gz GEOWNMHUESTXSW-WDSOQIARSA-N 2 1 357.523 3.160 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccccc1 ZINC000369547578 499415538 /nfs/dbraw/zinc/41/55/38/499415538.db2.gz GEOWNMHUESTXSW-WDSOQIARSA-N 2 1 357.523 3.160 20 0 FGADMP C[N@H+]1Cc2ccccc2[C@@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000372297661 499417621 /nfs/dbraw/zinc/41/76/21/499417621.db2.gz JKWUQKYHHAZKJF-QFIPXVFZSA-N 2 1 363.505 3.202 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000372310153 499419534 /nfs/dbraw/zinc/41/95/34/499419534.db2.gz AXAQFTORNYZAHF-UHFFFAOYSA-N 2 1 367.419 3.208 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000372310153 499419535 /nfs/dbraw/zinc/41/95/35/499419535.db2.gz AXAQFTORNYZAHF-UHFFFAOYSA-N 2 1 367.419 3.208 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581251 499422005 /nfs/dbraw/zinc/42/20/05/499422005.db2.gz ZWACUUZPHRATMH-IRXDYDNUSA-N 2 1 360.546 3.122 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)C1 ZINC000369581251 499422006 /nfs/dbraw/zinc/42/20/06/499422006.db2.gz ZWACUUZPHRATMH-IRXDYDNUSA-N 2 1 360.546 3.122 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373395867 499467323 /nfs/dbraw/zinc/46/73/23/499467323.db2.gz RETZRTBJIDQUEM-UHFFFAOYSA-N 2 1 364.497 3.007 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448436 499470360 /nfs/dbraw/zinc/47/03/60/499470360.db2.gz LEUAFKXRJNTWNL-YSIASYRMSA-N 2 1 368.500 3.300 20 0 FGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@H]4CCCO4)C[C@@H]3C)c[nH]c21 ZINC000378185920 499488538 /nfs/dbraw/zinc/48/85/38/499488538.db2.gz VCGNSILVAFIDIT-FBBABVLZSA-N 2 1 355.526 3.498 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000378201309 499489760 /nfs/dbraw/zinc/48/97/60/499489760.db2.gz NMGXDTJEBAAMRC-FUHWJXTLSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@H]1[N@@H+](C/C=C/C[NH+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375241969 499498385 /nfs/dbraw/zinc/49/83/85/499498385.db2.gz MJTGNJQSKMJLDW-IGVYDEPUSA-N 2 1 362.558 3.325 20 0 FGADMP C[C@H]1[NH+](C/C=C/C[N@@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375241969 499498386 /nfs/dbraw/zinc/49/83/86/499498386.db2.gz MJTGNJQSKMJLDW-IGVYDEPUSA-N 2 1 362.558 3.325 20 0 FGADMP C[C@H]1[NH+](C/C=C/C[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375241969 499498387 /nfs/dbraw/zinc/49/83/87/499498387.db2.gz MJTGNJQSKMJLDW-IGVYDEPUSA-N 2 1 362.558 3.325 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NCc1[nH+]c(C)n2c1CCCC2)c1ccccc1 ZINC000378320959 499501593 /nfs/dbraw/zinc/50/15/93/499501593.db2.gz ZFUZJVNPTKCCCR-HXUWFJFHSA-N 2 1 354.498 3.227 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378339141 499503602 /nfs/dbraw/zinc/50/36/02/499503602.db2.gz DQRFIGRWRKBDJP-SIKLNZKXSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378339141 499503604 /nfs/dbraw/zinc/50/36/04/499503604.db2.gz DQRFIGRWRKBDJP-SIKLNZKXSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000379622628 499542241 /nfs/dbraw/zinc/54/22/41/499542241.db2.gz GYVHAXRMWVBKMW-YZGWKJHDSA-N 2 1 374.550 3.268 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000379622628 499542242 /nfs/dbraw/zinc/54/22/42/499542242.db2.gz GYVHAXRMWVBKMW-YZGWKJHDSA-N 2 1 374.550 3.268 20 0 FGADMP COc1cc(OC)c(OC)cc1CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000380101227 499543380 /nfs/dbraw/zinc/54/33/80/499543380.db2.gz NEGRRBADIIKKBR-APWZRJJASA-N 2 1 370.493 3.465 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460990 499543620 /nfs/dbraw/zinc/54/36/20/499543620.db2.gz PDHDXLZUJRPUNR-VQIMIIECSA-N 2 1 369.509 3.120 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000382721998 499546123 /nfs/dbraw/zinc/54/61/23/499546123.db2.gz NWWDWHFVMMFCJB-RXVVDRJESA-N 2 1 351.494 3.200 20 0 FGADMP CCOc1cc(C[NH+]2CCC(C[NH+](C)C)CC2)cc(Br)c1O ZINC000388448835 499550639 /nfs/dbraw/zinc/55/06/39/499550639.db2.gz IJZRHUQWZUSUMF-UHFFFAOYSA-N 2 1 371.319 3.327 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375814140 499558120 /nfs/dbraw/zinc/55/81/20/499558120.db2.gz KUOXUVPYUQDBLO-CRAIPNDOSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000375814140 499558121 /nfs/dbraw/zinc/55/81/21/499558121.db2.gz KUOXUVPYUQDBLO-CRAIPNDOSA-N 2 1 371.447 3.043 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397959356 499565062 /nfs/dbraw/zinc/56/50/62/499565062.db2.gz DCWQVHBKICWDCE-CEMLEFRQSA-N 2 1 368.521 3.235 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057033 499565953 /nfs/dbraw/zinc/56/59/53/499565953.db2.gz ATYFRFMNDCNMAA-GHTZIAJQSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NC1CCCCCC1 ZINC000398057033 499565955 /nfs/dbraw/zinc/56/59/55/499565955.db2.gz ATYFRFMNDCNMAA-GHTZIAJQSA-N 2 1 357.542 3.326 20 0 FGADMP O=C([C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1)N1CCCC1 ZINC000376002817 499575436 /nfs/dbraw/zinc/57/54/36/499575436.db2.gz FTGWBPLOMHWIAC-IRLDBZIGSA-N 2 1 369.553 3.074 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000376584143 499620564 /nfs/dbraw/zinc/62/05/64/499620564.db2.gz LXIFLVRLEFVCQB-BNCGXOKJSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468068 499693790 /nfs/dbraw/zinc/69/37/90/499693790.db2.gz LTBGXTHBIUPICS-XMSQKQJNSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468066 499693880 /nfs/dbraw/zinc/69/38/80/499693880.db2.gz LTBGXTHBIUPICS-GCJKJVERSA-N 2 1 369.553 3.230 20 0 FGADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626250 499712302 /nfs/dbraw/zinc/71/23/02/499712302.db2.gz MJMPTUFSSLTXEP-MRXNPFEDSA-N 2 1 371.447 3.027 20 0 FGADMP COCCOc1ccccc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377694185 499721178 /nfs/dbraw/zinc/72/11/78/499721178.db2.gz KRRTXYFQYMACFI-UHFFFAOYSA-N 2 1 355.482 3.208 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000377705219 499723132 /nfs/dbraw/zinc/72/31/32/499723132.db2.gz RXWHVOFMZLENCT-INIZCTEOSA-N 2 1 360.527 3.005 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000377705219 499723134 /nfs/dbraw/zinc/72/31/34/499723134.db2.gz RXWHVOFMZLENCT-INIZCTEOSA-N 2 1 360.527 3.005 20 0 FGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415316 499737488 /nfs/dbraw/zinc/73/74/88/499737488.db2.gz MVJSFGRJQSBJFB-PGRDOPGGSA-N 2 1 352.526 3.001 20 0 FGADMP Cc1ccc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1 ZINC000411415316 499737489 /nfs/dbraw/zinc/73/74/89/499737489.db2.gz MVJSFGRJQSBJFB-PGRDOPGGSA-N 2 1 352.526 3.001 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1 ZINC000411474795 499745342 /nfs/dbraw/zinc/74/53/42/499745342.db2.gz MCNFGHXTNCTLPK-OAHLLOKOSA-N 2 1 352.438 3.083 20 0 FGADMP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000377908164 499747255 /nfs/dbraw/zinc/74/72/55/499747255.db2.gz RMJNUNGLSLCDLV-YHELAOLJSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000377908164 499747258 /nfs/dbraw/zinc/74/72/58/499747258.db2.gz RMJNUNGLSLCDLV-YHELAOLJSA-N 2 1 357.542 3.401 20 0 FGADMP CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000377908164 499747259 /nfs/dbraw/zinc/74/72/59/499747259.db2.gz RMJNUNGLSLCDLV-YHELAOLJSA-N 2 1 357.542 3.401 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000579369719 506158144 /nfs/dbraw/zinc/15/81/44/506158144.db2.gz LALMCPXGOFTNPP-SJORKVTESA-N 2 1 354.281 3.250 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000579369719 506158145 /nfs/dbraw/zinc/15/81/45/506158145.db2.gz LALMCPXGOFTNPP-SJORKVTESA-N 2 1 354.281 3.250 20 0 FGADMP C[C@@H](C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2ccccc2o1 ZINC000377988425 499753903 /nfs/dbraw/zinc/75/39/03/499753903.db2.gz CDTZOKYZMHQMFQ-VQIMIIECSA-N 2 1 369.509 3.163 20 0 FGADMP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000377992437 499754106 /nfs/dbraw/zinc/75/41/06/499754106.db2.gz HIKJMJYWOYIQRR-LJQANCHMSA-N 2 1 368.481 3.264 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000582208193 506158509 /nfs/dbraw/zinc/15/85/09/506158509.db2.gz LACNJFFSJQAPLO-DQVLVPHSSA-N 2 1 357.542 3.137 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414198926 499767954 /nfs/dbraw/zinc/76/79/54/499767954.db2.gz XADVQTYTXACEKI-DLBZAZTESA-N 2 1 350.503 3.103 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1ccc(F)cc1 ZINC000414294441 499775163 /nfs/dbraw/zinc/77/51/63/499775163.db2.gz QCGWPUPVBUZUGQ-DWQJTFDBSA-N 2 1 368.496 3.402 20 0 FGADMP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)n1C ZINC000414356646 499780203 /nfs/dbraw/zinc/78/02/03/499780203.db2.gz FVXAGCGRCFWEBY-UHFFFAOYSA-N 2 1 367.497 3.001 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000414393511 499785858 /nfs/dbraw/zinc/78/58/58/499785858.db2.gz DNNYSPPMBOWNIW-CEWLAPEOSA-N 2 1 372.488 3.003 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000414393511 499785859 /nfs/dbraw/zinc/78/58/59/499785859.db2.gz DNNYSPPMBOWNIW-CEWLAPEOSA-N 2 1 372.488 3.003 20 0 FGADMP CS(=O)(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411790904 499791264 /nfs/dbraw/zinc/79/12/64/499791264.db2.gz PCUPOZVRCUKLFP-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411790904 499791265 /nfs/dbraw/zinc/79/12/65/499791265.db2.gz PCUPOZVRCUKLFP-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000414521349 499802629 /nfs/dbraw/zinc/80/26/29/499802629.db2.gz BPINCMFADBFLJM-BTOANGARSA-N 2 1 351.494 3.222 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C\c1ccncc1 ZINC000414521349 499802630 /nfs/dbraw/zinc/80/26/30/499802630.db2.gz BPINCMFADBFLJM-BTOANGARSA-N 2 1 351.494 3.222 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)C[C@@H]1C ZINC000412043269 499816192 /nfs/dbraw/zinc/81/61/92/499816192.db2.gz NHZKGDCHQMCGDC-ZWKOTPCHSA-N 2 1 357.542 3.276 20 0 FGADMP CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732577 499824098 /nfs/dbraw/zinc/82/40/98/499824098.db2.gz CTOPMMZSNRPOPJ-GJZGRUSLSA-N 2 1 371.447 3.286 20 0 FGADMP C[C@@H]1c2c(Cl)cc(Cl)cc2CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414760443 499827470 /nfs/dbraw/zinc/82/74/70/499827470.db2.gz YTVDWBWGFPFBDI-CHWSQXEVSA-N 2 1 370.324 3.110 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+](C)C4CC([NH3+])C4)cc3)nc12 ZINC000414769148 499828774 /nfs/dbraw/zinc/82/87/74/499828774.db2.gz JOCSBNCQWFKRMN-UHFFFAOYSA-N 2 1 350.466 3.143 20 0 FGADMP c1ccc(COc2ccccc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414778910 499830139 /nfs/dbraw/zinc/83/01/39/499830139.db2.gz JOFAFAJWUPXKPW-MOPGFXCFSA-N 2 1 351.494 3.482 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780317 499830557 /nfs/dbraw/zinc/83/05/57/499830557.db2.gz LIHGHHSCXSBPND-LSDHHAIUSA-N 2 1 353.304 3.279 20 0 FGADMP COc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+]CC(C)(C)[NH3+])cc1 ZINC000414799295 499832500 /nfs/dbraw/zinc/83/25/00/499832500.db2.gz GQEHVANCBSXZSY-UHFFFAOYSA-N 2 1 364.493 3.434 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819037 499834292 /nfs/dbraw/zinc/83/42/92/499834292.db2.gz XQNHUGJCZLCTNI-IUODEOHRSA-N 2 1 356.308 3.273 20 0 FGADMP C[C@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414859170 499838477 /nfs/dbraw/zinc/83/84/77/499838477.db2.gz SVNILVUHJYIWHQ-ZFWWWQNUSA-N 2 1 363.303 3.113 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CNCC[C@@H]2c2ccc(OC)cc2)ccc1OC ZINC000414884997 499841232 /nfs/dbraw/zinc/84/12/32/499841232.db2.gz OTTUPRCTFGRGGO-UXHICEINSA-N 2 1 370.493 3.338 20 0 FGADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]Cc2cc(OC)c(OC)cc2C)cc1 ZINC000414884944 499841341 /nfs/dbraw/zinc/84/13/41/499841341.db2.gz OOTNNQZAUDVATE-PMACEKPBSA-N 2 1 370.493 3.256 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000414906431 499843553 /nfs/dbraw/zinc/84/35/53/499843553.db2.gz PPJJXOMWPADKIA-RDJZCZTQSA-N 2 1 355.486 3.256 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2CCC([NH3+])CC2)c1 ZINC000414907225 499843634 /nfs/dbraw/zinc/84/36/34/499843634.db2.gz MVIXVYAVTUIYKM-UHFFFAOYSA-N 2 1 355.486 3.446 20 0 FGADMP C[NH2+][C@H]1CCCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000414913861 499844214 /nfs/dbraw/zinc/84/42/14/499844214.db2.gz XGXCRSQKWWNICA-SFHVURJKSA-N 2 1 355.486 3.271 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(OC)c1OCc1ccccc1 ZINC000414939831 499846622 /nfs/dbraw/zinc/84/66/22/499846622.db2.gz JWGLVYUUPUYJEB-VQIMIIECSA-N 2 1 370.493 3.370 20 0 FGADMP CCCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414939858 499846676 /nfs/dbraw/zinc/84/66/76/499846676.db2.gz BEESGAWKRPNWGH-OCCSQVGLSA-N 2 1 371.319 3.477 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414993451 499852726 /nfs/dbraw/zinc/85/27/26/499852726.db2.gz CIWDXYXEEJKLSC-PWSUYJOCSA-N 2 1 365.237 3.354 20 0 FGADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000415084697 499861999 /nfs/dbraw/zinc/86/19/99/499861999.db2.gz HIYLMMJHLUIFHO-RTWAWAEBSA-N 2 1 369.484 3.245 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)s3)CC2)C1 ZINC000415129043 499867631 /nfs/dbraw/zinc/86/76/31/499867631.db2.gz UDPOPIRIKQWFGQ-TZMCWYRMSA-N 2 1 359.333 3.229 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000415201387 499876531 /nfs/dbraw/zinc/87/65/31/499876531.db2.gz KOXQAMDGNSJJPC-ICSRJNTNSA-N 2 1 355.526 3.126 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)c1 ZINC000415917879 499928289 /nfs/dbraw/zinc/92/82/89/499928289.db2.gz JTRBXJZDWFTEDG-OXJNMPFZSA-N 2 1 352.482 3.363 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415967335 499935106 /nfs/dbraw/zinc/93/51/06/499935106.db2.gz HRIXXRQMULVUIT-GFCCVEGCSA-N 2 1 360.424 3.406 20 0 FGADMP CN(C(=O)Nc1ccc(C[NH3+])cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000415980237 499936760 /nfs/dbraw/zinc/93/67/60/499936760.db2.gz SDBNIXYTUBCUFF-FQEVSTJZSA-N 2 1 352.482 3.274 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000416121642 499950273 /nfs/dbraw/zinc/95/02/73/499950273.db2.gz HFALVTUXYJWECH-UXHICEINSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@@H](CCNC(=O)NCC1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000428904667 499956103 /nfs/dbraw/zinc/95/61/03/499956103.db2.gz ICNXKCLGMXSJTK-SFHVURJKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000428957123 499968425 /nfs/dbraw/zinc/96/84/25/499968425.db2.gz ZVUZTYTZIHPETR-ZHALLVOQSA-N 2 1 360.546 3.097 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000416215883 499983861 /nfs/dbraw/zinc/98/38/61/499983861.db2.gz PICOTBOZDHMCMF-UHFFFAOYSA-N 2 1 351.494 3.178 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000429098859 500002887 /nfs/dbraw/zinc/00/28/87/500002887.db2.gz QDRVSOUIEKUNSO-LMNJBCLMSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000429098859 500002891 /nfs/dbraw/zinc/00/28/91/500002891.db2.gz QDRVSOUIEKUNSO-LMNJBCLMSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000429098859 500002894 /nfs/dbraw/zinc/00/28/94/500002894.db2.gz QDRVSOUIEKUNSO-LMNJBCLMSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417238297 500014494 /nfs/dbraw/zinc/01/44/94/500014494.db2.gz LEALSKUWRQLMSC-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccsc1 ZINC000421371184 500029623 /nfs/dbraw/zinc/02/96/23/500029623.db2.gz KMJUMJCGHPOWCF-MRXNPFEDSA-N 2 1 359.543 3.262 20 0 FGADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H](C)c1ccsc1 ZINC000421371184 500029625 /nfs/dbraw/zinc/02/96/25/500029625.db2.gz KMJUMJCGHPOWCF-MRXNPFEDSA-N 2 1 359.543 3.262 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421383833 500033386 /nfs/dbraw/zinc/03/33/86/500033386.db2.gz LYOATLOPRDSEDE-DOTOQJQBSA-N 2 1 370.497 3.375 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)c1 ZINC000417406580 500063987 /nfs/dbraw/zinc/06/39/87/500063987.db2.gz RQLATVLHMJURFP-NRFANRHFSA-N 2 1 368.525 3.418 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425353299 500082330 /nfs/dbraw/zinc/08/23/30/500082330.db2.gz QFQFODLXSZYUPW-NZQKXSOJSA-N 2 1 373.504 3.282 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486926 500086252 /nfs/dbraw/zinc/08/62/52/500086252.db2.gz HHDPZDGRLIHYFG-YWZLYKJASA-N 2 1 355.457 3.126 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000429486926 500086254 /nfs/dbraw/zinc/08/62/54/500086254.db2.gz HHDPZDGRLIHYFG-YWZLYKJASA-N 2 1 355.457 3.126 20 0 FGADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000425463824 500113769 /nfs/dbraw/zinc/11/37/69/500113769.db2.gz YPQIGLCWDWMJIS-XZOQPEGZSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000425463824 500113775 /nfs/dbraw/zinc/11/37/75/500113775.db2.gz YPQIGLCWDWMJIS-XZOQPEGZSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000425463824 500113779 /nfs/dbraw/zinc/11/37/79/500113779.db2.gz YPQIGLCWDWMJIS-XZOQPEGZSA-N 2 1 350.506 3.188 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417675165 500146161 /nfs/dbraw/zinc/14/61/61/500146161.db2.gz BHCQVJGYOVLRNP-YLJYHZDGSA-N 2 1 374.573 3.276 20 0 FGADMP COc1ccc([C@@H]([NH2+]CC2CCN(CC[NH+](C)C)CC2)C(C)C)c(F)c1 ZINC000421826835 500161207 /nfs/dbraw/zinc/16/12/07/500161207.db2.gz UWDSHXWBISCUBI-NRFANRHFSA-N 2 1 365.537 3.395 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417744476 500162420 /nfs/dbraw/zinc/16/24/20/500162420.db2.gz YOLKOBXXSMCXLX-HXUWFJFHSA-N 2 1 365.481 3.124 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C1CC[NH2+]CC1 ZINC000416965684 500168245 /nfs/dbraw/zinc/16/82/45/500168245.db2.gz DKLLPGTURIBSNK-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000416969166 500169240 /nfs/dbraw/zinc/16/92/40/500169240.db2.gz KIBQNYVLVUSNOD-ZWKOTPCHSA-N 2 1 360.546 3.235 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000416969293 500169322 /nfs/dbraw/zinc/16/93/22/500169322.db2.gz BISSMSGZGIHBDI-DZIBYMRMSA-N 2 1 358.530 3.130 20 0 FGADMP C[C@H](CCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416984447 500174745 /nfs/dbraw/zinc/17/47/45/500174745.db2.gz HFKQBCIMACPELC-FGTMMUONSA-N 2 1 360.546 3.091 20 0 FGADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416989117 500176980 /nfs/dbraw/zinc/17/69/80/500176980.db2.gz AGDRJTXJNAAWEI-UEXGIBASSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)C1 ZINC000416992894 500178281 /nfs/dbraw/zinc/17/82/81/500178281.db2.gz PMWHFPLEOWHRKS-SVMVAKDDSA-N 2 1 372.557 3.045 20 0 FGADMP CCCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000417833824 500180683 /nfs/dbraw/zinc/18/06/83/500180683.db2.gz UWGMTOLRNMWWAW-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000417850388 500183676 /nfs/dbraw/zinc/18/36/76/500183676.db2.gz FANQKBGQGRIFQZ-QRWLVFNGSA-N 2 1 369.513 3.449 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1 ZINC000417850302 500183686 /nfs/dbraw/zinc/18/36/86/500183686.db2.gz DWQLXQHCBLHFKX-ZRGWGRIASA-N 2 1 355.486 3.153 20 0 FGADMP CCCN(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@H]1CC[NH2+]C1 ZINC000417852233 500184525 /nfs/dbraw/zinc/18/45/25/500184525.db2.gz GYXDICIKJAFEGA-KXBFYZLASA-N 2 1 355.486 3.025 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH2+]C)C2)c1 ZINC000417868713 500188382 /nfs/dbraw/zinc/18/83/82/500188382.db2.gz CXOXKGDTBMNQJH-OAQYLSRUSA-N 2 1 374.573 3.450 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417933594 500200333 /nfs/dbraw/zinc/20/03/33/500200333.db2.gz XYRPJSIMCFQZDK-PKOBYXMFSA-N 2 1 360.546 3.104 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940713 500201908 /nfs/dbraw/zinc/20/19/08/500201908.db2.gz LRTSNGFYKRPLDM-CWBXHPNXSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417940713 500201911 /nfs/dbraw/zinc/20/19/11/500201911.db2.gz LRTSNGFYKRPLDM-CWBXHPNXSA-N 2 1 350.506 3.263 20 0 FGADMP C[C@H](NC(=O)N[C@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417989796 500210658 /nfs/dbraw/zinc/21/06/58/500210658.db2.gz JSGCYXFEAAASHM-HFSMHLIXSA-N 2 1 372.557 3.419 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418008617 500213520 /nfs/dbraw/zinc/21/35/20/500213520.db2.gz RLJXGGBABNBWBB-JKSUJKDBSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418008617 500213522 /nfs/dbraw/zinc/21/35/22/500213522.db2.gz RLJXGGBABNBWBB-JKSUJKDBSA-N 2 1 370.900 3.039 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000418037904 500218147 /nfs/dbraw/zinc/21/81/47/500218147.db2.gz DQIYIWCQGFPZAN-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP CCCN(C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418045550 500219875 /nfs/dbraw/zinc/21/98/75/500219875.db2.gz ONSZVIIZVWPNRE-JOCHJYFZSA-N 2 1 372.557 3.215 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418046185 500220682 /nfs/dbraw/zinc/22/06/82/500220682.db2.gz PYWGWQBNRDBZIS-TZIWHRDSSA-N 2 1 360.546 3.056 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3COc4ccccc4C3)CC2)oc1C ZINC000573378681 506183696 /nfs/dbraw/zinc/18/36/96/506183696.db2.gz SDFBNTZDCKKEII-LJQANCHMSA-N 2 1 355.482 3.097 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427359 500239343 /nfs/dbraw/zinc/23/93/43/500239343.db2.gz PLQHUBZTBBJVFJ-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000430427359 500239344 /nfs/dbraw/zinc/23/93/44/500239344.db2.gz PLQHUBZTBBJVFJ-VQTJNVASSA-N 2 1 361.505 3.123 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179579 500243318 /nfs/dbraw/zinc/24/33/18/500243318.db2.gz JNJGACBGSKTACB-MAUKXSAKSA-N 2 1 366.937 3.022 20 0 FGADMP CCCN(C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000418227715 500252923 /nfs/dbraw/zinc/25/29/23/500252923.db2.gz AMPSGUQIPPEUNE-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1ccc(-c2noc([C@@H](C)[NH+]3CCC(OCCC[NH3+])CC3)n2)cc1F ZINC000430555973 500253579 /nfs/dbraw/zinc/25/35/79/500253579.db2.gz JZSSZPUTWKHCSG-CQSZACIVSA-N 2 1 362.449 3.075 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418240131 500254138 /nfs/dbraw/zinc/25/41/38/500254138.db2.gz PHHDGFZHKFWIPF-VQTJNVASSA-N 2 1 360.546 3.105 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418240132 500254454 /nfs/dbraw/zinc/25/44/54/500254454.db2.gz PHHDGFZHKFWIPF-WOJBJXKFSA-N 2 1 360.546 3.105 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418379464 500269940 /nfs/dbraw/zinc/26/99/40/500269940.db2.gz KNCYDHCBICJOFN-HBFSDRIKSA-N 2 1 364.578 3.190 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426416804 500271229 /nfs/dbraw/zinc/27/12/29/500271229.db2.gz MCSVTFGASJIMKN-UHFFFAOYSA-N 2 1 351.579 3.469 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000430696589 500271592 /nfs/dbraw/zinc/27/15/92/500271592.db2.gz QHGHAKBERZEPDZ-SFHVURJKSA-N 2 1 370.541 3.375 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418443624 500277026 /nfs/dbraw/zinc/27/70/26/500277026.db2.gz VKNICXKJGXVSKS-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418503849 500285779 /nfs/dbraw/zinc/28/57/79/500285779.db2.gz ZUCJJLGKTPIHPI-UTKZUKDTSA-N 2 1 368.525 3.213 20 0 FGADMP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000418512980 500286695 /nfs/dbraw/zinc/28/66/95/500286695.db2.gz FOMPYCRHWDAWDO-SYYKKAFVSA-N 2 1 372.557 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719923 500289029 /nfs/dbraw/zinc/28/90/29/500289029.db2.gz RQDAAQSGHGNCLW-CLAROIROSA-N 2 1 359.558 3.206 20 0 FGADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422734522 500291495 /nfs/dbraw/zinc/29/14/95/500291495.db2.gz TYSFNTAMXZZPDZ-NQIIRXRSSA-N 2 1 359.558 3.308 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422758142 500294288 /nfs/dbraw/zinc/29/42/88/500294288.db2.gz NOLMECKWILWVEQ-CBPXPLCBSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000422792105 500298494 /nfs/dbraw/zinc/29/84/94/500298494.db2.gz WYZUZRPKHIFNOZ-LRDDRELGSA-N 2 1 353.297 3.348 20 0 FGADMP CCOc1c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)nn1CC(C)C ZINC000582328231 506187907 /nfs/dbraw/zinc/18/79/07/506187907.db2.gz QLTZMXIPZGCBEC-IBGZPJMESA-N 2 1 362.562 3.410 20 0 FGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422825532 500302472 /nfs/dbraw/zinc/30/24/72/500302472.db2.gz JPEYWACSESHSPP-OWCLPIDISA-N 2 1 357.420 3.423 20 0 FGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422825530 500302860 /nfs/dbraw/zinc/30/28/60/500302860.db2.gz JPEYWACSESHSPP-HRCADAONSA-N 2 1 357.420 3.423 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418687124 500308132 /nfs/dbraw/zinc/30/81/32/500308132.db2.gz CXTFGUFISOGVSY-MRXNPFEDSA-N 2 1 366.937 3.075 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418687124 500308135 /nfs/dbraw/zinc/30/81/35/500308135.db2.gz CXTFGUFISOGVSY-MRXNPFEDSA-N 2 1 366.937 3.075 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874443 500308840 /nfs/dbraw/zinc/30/88/40/500308840.db2.gz CYKHHVPDBSTDMA-UZKOGDIHSA-N 3 1 357.542 3.487 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886522 500310749 /nfs/dbraw/zinc/31/07/49/500310749.db2.gz WTMVVDQJORUJQY-SYYKKAFVSA-N 3 1 357.542 3.344 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000430966428 500314246 /nfs/dbraw/zinc/31/42/46/500314246.db2.gz OSVPDWFHBMZDOI-SJLPKXTDSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000423005955 500330258 /nfs/dbraw/zinc/33/02/58/500330258.db2.gz TVNDWDAGKCNPDK-OOWPADAASA-N 3 1 371.569 3.034 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050216 500335830 /nfs/dbraw/zinc/33/58/30/500335830.db2.gz YKRXFWOMJDSXPX-FUHIMQAGSA-N 3 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423050216 500335832 /nfs/dbraw/zinc/33/58/32/500335832.db2.gz YKRXFWOMJDSXPX-FUHIMQAGSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423050216 500335833 /nfs/dbraw/zinc/33/58/33/500335833.db2.gz YKRXFWOMJDSXPX-FUHIMQAGSA-N 2 1 352.526 3.410 20 0 FGADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077521 500339294 /nfs/dbraw/zinc/33/92/94/500339294.db2.gz UDGUVRMWHIJCGZ-IOMROCGXSA-N 2 1 353.535 3.338 20 0 FGADMP [NH3+][C@@H]1C[C@@H](NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077521 500339298 /nfs/dbraw/zinc/33/92/98/500339298.db2.gz UDGUVRMWHIJCGZ-IOMROCGXSA-N 2 1 353.535 3.338 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980428 500340769 /nfs/dbraw/zinc/34/07/69/500340769.db2.gz AHKNERIMXUDEEC-QFUCXCTJSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980428 500340771 /nfs/dbraw/zinc/34/07/71/500340771.db2.gz AHKNERIMXUDEEC-QFUCXCTJSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980428 500340773 /nfs/dbraw/zinc/34/07/73/500340773.db2.gz AHKNERIMXUDEEC-QFUCXCTJSA-N 2 1 355.526 3.030 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NCCn2cc[nH+]c2C)[NH+](CC)CC)cc1 ZINC000431284960 500358387 /nfs/dbraw/zinc/35/83/87/500358387.db2.gz SEPOCMMPHCTAFX-HXUWFJFHSA-N 2 1 371.529 3.136 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCCC2)cc1OC ZINC000423260425 500359483 /nfs/dbraw/zinc/35/94/83/500359483.db2.gz HKRGCBCFDHGQKZ-CRAIPNDOSA-N 2 1 350.503 3.279 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275911 500376725 /nfs/dbraw/zinc/37/67/25/500376725.db2.gz VEEMTODHOQMPIP-MSOLQXFVSA-N 2 1 359.514 3.126 20 0 FGADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423461911 500376805 /nfs/dbraw/zinc/37/68/05/500376805.db2.gz OPWODRWVLSVYKX-JKOLBHCTSA-N 2 1 353.554 3.393 20 0 FGADMP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423491631 500378716 /nfs/dbraw/zinc/37/87/16/500378716.db2.gz KBBGHYOUPGTIDC-ABAIWWIYSA-N 2 1 359.695 3.058 20 0 FGADMP CC[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000423551552 500384460 /nfs/dbraw/zinc/38/44/60/500384460.db2.gz GCJMLBDCEIMVHA-LJQANCHMSA-N 2 1 356.489 3.255 20 0 FGADMP COc1ccc([C@H](C)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c(F)c1 ZINC000423579069 500386424 /nfs/dbraw/zinc/38/64/24/500386424.db2.gz VQIXEQHWDGMVNS-KRWDZBQOSA-N 2 1 371.500 3.478 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431622983 500399961 /nfs/dbraw/zinc/39/99/61/500399961.db2.gz RIZQFENIHLBSKF-QFIPXVFZSA-N 2 1 365.521 3.332 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805051 500403128 /nfs/dbraw/zinc/40/31/28/500403128.db2.gz CPOCXTWACUZKAE-JKSUJKDBSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423805051 500403131 /nfs/dbraw/zinc/40/31/31/500403131.db2.gz CPOCXTWACUZKAE-JKSUJKDBSA-N 2 1 353.869 3.001 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431656393 500404414 /nfs/dbraw/zinc/40/44/14/500404414.db2.gz YBUQLKNAIWYAHF-OAQYLSRUSA-N 2 1 351.494 3.024 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910738 500418236 /nfs/dbraw/zinc/41/82/36/500418236.db2.gz VERFXEGEKXWINU-RLLQIKCJSA-N 2 1 357.542 3.182 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000427697027 500421917 /nfs/dbraw/zinc/42/19/17/500421917.db2.gz LLZLAMNZKKRGHL-KRWDZBQOSA-N 2 1 370.463 3.095 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420310394 500439130 /nfs/dbraw/zinc/43/91/30/500439130.db2.gz FYYQRQBBYBMQEX-IKGGRYGDSA-N 2 1 353.466 3.475 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420310394 500439132 /nfs/dbraw/zinc/43/91/32/500439132.db2.gz FYYQRQBBYBMQEX-IKGGRYGDSA-N 2 1 353.466 3.475 20 0 FGADMP CCC[N@H+]([C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH2+]CC1 ZINC000420312492 500439427 /nfs/dbraw/zinc/43/94/27/500439427.db2.gz HWDBRBLCSIIQRR-KRWDZBQOSA-N 2 1 353.869 3.048 20 0 FGADMP CCC[N@@H+]([C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)C1CC[NH2+]CC1 ZINC000420312492 500439428 /nfs/dbraw/zinc/43/94/28/500439428.db2.gz HWDBRBLCSIIQRR-KRWDZBQOSA-N 2 1 353.869 3.048 20 0 FGADMP C[C@H](c1cccc(Br)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328394 500442272 /nfs/dbraw/zinc/44/22/72/500442272.db2.gz MJHTXSGDJJKYEW-UKRRQHHQSA-N 2 1 353.304 3.197 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332523 500443148 /nfs/dbraw/zinc/44/31/48/500443148.db2.gz DCQCFLMNFCMKGG-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1Cl ZINC000420332523 500443151 /nfs/dbraw/zinc/44/31/51/500443151.db2.gz DCQCFLMNFCMKGG-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420336141 500444046 /nfs/dbraw/zinc/44/40/46/500444046.db2.gz IOAWDZRWGBSNLX-MLGOLLRUSA-N 2 1 353.869 3.270 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420344270 500445748 /nfs/dbraw/zinc/44/57/48/500445748.db2.gz SJOISRKNTJAWFA-KCLUMXDGSA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420363535 500447822 /nfs/dbraw/zinc/44/78/22/500447822.db2.gz NYPHLNAFVXVIMS-PKOBYXMFSA-N 2 1 359.539 3.307 20 0 FGADMP Cc1ccc(CCC2CCN(C(=O)C[NH2+][C@H]3CC[NH2+]CC3(C)C)CC2)cc1 ZINC000420372002 500449335 /nfs/dbraw/zinc/44/93/35/500449335.db2.gz XKVXPSLMEGPZCU-NRFANRHFSA-N 2 1 371.569 3.144 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000420377401 500451012 /nfs/dbraw/zinc/45/10/12/500451012.db2.gz KXKRZPDKBADDEK-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1F ZINC000420377225 500451223 /nfs/dbraw/zinc/45/12/23/500451223.db2.gz PMXPPIQIJNWHTC-HXUWFJFHSA-N 2 1 358.461 3.192 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420412617 500457222 /nfs/dbraw/zinc/45/72/22/500457222.db2.gz ZKABXZGEXWUQLG-STZQEDGTSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420412617 500457224 /nfs/dbraw/zinc/45/72/24/500457224.db2.gz ZKABXZGEXWUQLG-STZQEDGTSA-N 2 1 369.553 3.278 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420415288 500457496 /nfs/dbraw/zinc/45/74/96/500457496.db2.gz VARZDKFFGSCMGQ-QZTJIDSGSA-N 2 1 362.537 3.008 20 0 FGADMP O=C(c1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411102 500457631 /nfs/dbraw/zinc/45/76/31/500457631.db2.gz YEVFKWUAPSRXOX-LEWJYISDSA-N 2 1 355.526 3.277 20 0 FGADMP O=C(c1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1)N1CCCCC1 ZINC000420411102 500457635 /nfs/dbraw/zinc/45/76/35/500457635.db2.gz YEVFKWUAPSRXOX-LEWJYISDSA-N 2 1 355.526 3.277 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000428029599 500459842 /nfs/dbraw/zinc/45/98/42/500459842.db2.gz DYBXMCBUBKNJDH-WFXMLNOXSA-N 2 1 369.534 3.028 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)N[C@H](c1cccs1)c1ccccc1 ZINC000428029599 500459843 /nfs/dbraw/zinc/45/98/43/500459843.db2.gz DYBXMCBUBKNJDH-WFXMLNOXSA-N 2 1 369.534 3.028 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288088 500481769 /nfs/dbraw/zinc/48/17/69/500481769.db2.gz KCTRYLXNUUNCGL-ROUUACIJSA-N 2 1 365.521 3.481 20 0 FGADMP COc1ccnc(N2CCN(C[C@@H](OC(C)C)c3ccccc3)CC2)c1 ZINC000428211731 500482431 /nfs/dbraw/zinc/48/24/31/500482431.db2.gz XYUZWUXEEXJKQA-HXUWFJFHSA-N 2 1 355.482 3.379 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420798393 500504004 /nfs/dbraw/zinc/50/40/04/500504004.db2.gz XGLNQJICKIAVPQ-AOCRQIFASA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800754 500504540 /nfs/dbraw/zinc/50/45/40/500504540.db2.gz JRYAQFGDCQWWMM-RLHVNXBHSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](CC1CCOCC1)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442077 500510847 /nfs/dbraw/zinc/51/08/47/500510847.db2.gz ZAIVUJOLRYGSBP-KNQAVFIVSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC1CCOCC1)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428442077 500510848 /nfs/dbraw/zinc/51/08/48/500510848.db2.gz ZAIVUJOLRYGSBP-KNQAVFIVSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428442077 500510849 /nfs/dbraw/zinc/51/08/49/500510849.db2.gz ZAIVUJOLRYGSBP-KNQAVFIVSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC1CCOCC1)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428442077 500510851 /nfs/dbraw/zinc/51/08/51/500510851.db2.gz ZAIVUJOLRYGSBP-KNQAVFIVSA-N 2 1 360.542 3.008 20 0 FGADMP CC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(OC)c(OC)c1 ZINC000432425104 500514640 /nfs/dbraw/zinc/51/46/40/500514640.db2.gz LBGFXSFZKZABIV-AEFFLSMTSA-N 2 1 350.503 3.245 20 0 FGADMP C[C@@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542875 500523253 /nfs/dbraw/zinc/52/32/53/500523253.db2.gz FKFXJGZXKHXFAX-DENIHFKCSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542875 500523256 /nfs/dbraw/zinc/52/32/56/500523256.db2.gz FKFXJGZXKHXFAX-DENIHFKCSA-N 2 1 360.542 3.320 20 0 FGADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964568 500542426 /nfs/dbraw/zinc/54/24/26/500542426.db2.gz NTTDSDVCOLOKQW-RJGXRXQPSA-N 2 1 372.553 3.424 20 0 FGADMP O[C@@H]1CCCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964568 500542428 /nfs/dbraw/zinc/54/24/28/500542428.db2.gz NTTDSDVCOLOKQW-RJGXRXQPSA-N 2 1 372.553 3.424 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964565 500542702 /nfs/dbraw/zinc/54/27/02/500542702.db2.gz NTTDSDVCOLOKQW-DNVJHFABSA-N 2 1 372.553 3.424 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964565 500542703 /nfs/dbraw/zinc/54/27/03/500542703.db2.gz NTTDSDVCOLOKQW-DNVJHFABSA-N 2 1 372.553 3.424 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964571 500542746 /nfs/dbraw/zinc/54/27/46/500542746.db2.gz NTTDSDVCOLOKQW-XPWALMASSA-N 2 1 372.553 3.424 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964571 500542748 /nfs/dbraw/zinc/54/27/48/500542748.db2.gz NTTDSDVCOLOKQW-XPWALMASSA-N 2 1 372.553 3.424 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)CC1 ZINC000428699571 500545524 /nfs/dbraw/zinc/54/55/24/500545524.db2.gz KLQKWPYBBARMIX-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC1 ZINC000428699571 500545527 /nfs/dbraw/zinc/54/55/27/500545527.db2.gz KLQKWPYBBARMIX-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC1 ZINC000428699571 500545530 /nfs/dbraw/zinc/54/55/30/500545530.db2.gz KLQKWPYBBARMIX-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCC(=O)c3ccccc3)CC2)CC1 ZINC000420975878 500545780 /nfs/dbraw/zinc/54/57/80/500545780.db2.gz GFRNPNJGRTVSHZ-UHFFFAOYSA-N 2 1 357.542 3.142 20 0 FGADMP CC(C)(C)OC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420981709 500547647 /nfs/dbraw/zinc/54/76/47/500547647.db2.gz YUKBVLJGGHXBPF-QFIPXVFZSA-N 2 1 374.525 3.073 20 0 FGADMP CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420981709 500547649 /nfs/dbraw/zinc/54/76/49/500547649.db2.gz YUKBVLJGGHXBPF-QFIPXVFZSA-N 2 1 374.525 3.073 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)CC1 ZINC000432781781 500562873 /nfs/dbraw/zinc/56/28/73/500562873.db2.gz PTMPCTVGGPFARD-RBUKOAKNSA-N 2 1 371.569 3.444 20 0 FGADMP C[N@@H+](CCC1CCOCC1)[C@H]1CCC[NH+](CCC2CCOCC2)CC1 ZINC000432785225 500563439 /nfs/dbraw/zinc/56/34/39/500563439.db2.gz SDUHHBZYQNESPN-NRFANRHFSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC1CCOCC1)[C@H]1CCC[N@H+](CCC2CCOCC2)CC1 ZINC000432785225 500563442 /nfs/dbraw/zinc/56/34/42/500563442.db2.gz SDUHHBZYQNESPN-NRFANRHFSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC1CCOCC1)[C@H]1CCC[N@@H+](CCC2CCOCC2)CC1 ZINC000432785225 500563445 /nfs/dbraw/zinc/56/34/45/500563445.db2.gz SDUHHBZYQNESPN-NRFANRHFSA-N 2 1 352.563 3.406 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000447435407 500605610 /nfs/dbraw/zinc/60/56/10/500605610.db2.gz OHQBWXRNPGSVGZ-VGSWGCGISA-N 2 1 367.493 3.220 20 0 FGADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528252 500618165 /nfs/dbraw/zinc/61/81/65/500618165.db2.gz IGTYNURTHLBQNE-NHCUHLMSSA-N 2 1 357.542 3.403 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000442749055 500619803 /nfs/dbraw/zinc/61/98/03/500619803.db2.gz NMQSUVKUNUZVGX-RBUKOAKNSA-N 2 1 370.497 3.334 20 0 FGADMP OCCOc1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000447578873 500628351 /nfs/dbraw/zinc/62/83/51/500628351.db2.gz HXTSDWKXZCCHQS-KOUNCHBCSA-N 2 1 366.505 3.343 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1(C)C ZINC000442866929 500636086 /nfs/dbraw/zinc/63/60/86/500636086.db2.gz JPFANJZJAZTDKS-MRXNPFEDSA-N 2 1 370.463 3.093 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1Br ZINC000442869535 500637053 /nfs/dbraw/zinc/63/70/53/500637053.db2.gz BOPPAJLUGFTCHP-CQSZACIVSA-N 2 1 354.336 3.126 20 0 FGADMP CCCCCNC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433179728 500640124 /nfs/dbraw/zinc/64/01/24/500640124.db2.gz WWLOKBVBQUBKFM-UHFFFAOYSA-N 2 1 357.542 3.281 20 0 FGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)C[N@H+](C)Cc3ccccc3)cccc21 ZINC000447723079 500653041 /nfs/dbraw/zinc/65/30/41/500653041.db2.gz MUYFLGLTZRYHRZ-IBGZPJMESA-N 2 1 353.466 3.142 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058421 500670385 /nfs/dbraw/zinc/67/03/85/500670385.db2.gz AAGVMXLENZXTAZ-CYBMUJFWSA-N 2 1 358.313 3.013 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061200 500671505 /nfs/dbraw/zinc/67/15/05/500671505.db2.gz RDLHVWLPSWMXCB-KBPBESRZSA-N 2 1 353.894 3.045 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447966828 500697704 /nfs/dbraw/zinc/69/77/04/500697704.db2.gz LDOHNGADPUTPAA-HXUWFJFHSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000447966828 500697708 /nfs/dbraw/zinc/69/77/08/500697708.db2.gz LDOHNGADPUTPAA-HXUWFJFHSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000447966828 500697711 /nfs/dbraw/zinc/69/77/11/500697711.db2.gz LDOHNGADPUTPAA-HXUWFJFHSA-N 2 1 374.573 3.446 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@H+]1C1CC1 ZINC000443275578 500703002 /nfs/dbraw/zinc/70/30/02/500703002.db2.gz PVJFGJMJYSSFJJ-OYWYANMWSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275578 500703005 /nfs/dbraw/zinc/70/30/05/500703005.db2.gz PVJFGJMJYSSFJJ-OYWYANMWSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275578 500703007 /nfs/dbraw/zinc/70/30/07/500703007.db2.gz PVJFGJMJYSSFJJ-OYWYANMWSA-N 2 1 367.537 3.030 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cn2)CC1 ZINC000438084673 500735381 /nfs/dbraw/zinc/73/53/81/500735381.db2.gz ZMISMDPYNOVTEC-UHFFFAOYSA-N 2 1 362.880 3.306 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159870 500748024 /nfs/dbraw/zinc/74/80/24/500748024.db2.gz UMDBZKIEPNYZOT-ICSRJNTNSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438159870 500748028 /nfs/dbraw/zinc/74/80/28/500748028.db2.gz UMDBZKIEPNYZOT-ICSRJNTNSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438159870 500748030 /nfs/dbraw/zinc/74/80/30/500748030.db2.gz UMDBZKIEPNYZOT-ICSRJNTNSA-N 2 1 364.578 3.157 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438165212 500749184 /nfs/dbraw/zinc/74/91/84/500749184.db2.gz ZZSOHLWDHKJKGK-HXUWFJFHSA-N 2 1 364.578 3.347 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000570710425 506214827 /nfs/dbraw/zinc/21/48/27/506214827.db2.gz ZTLIRGDSUWHROT-SJORKVTESA-N 2 1 354.922 3.098 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433940278 500768599 /nfs/dbraw/zinc/76/85/99/500768599.db2.gz KQCJJHVFCYFDLG-SFTDATJTSA-N 2 1 370.541 3.140 20 0 FGADMP CC(C)[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000438475995 500789851 /nfs/dbraw/zinc/78/98/51/500789851.db2.gz DRBACFPYSVFTQC-GOSISDBHSA-N 2 1 361.555 3.152 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000434352891 500831189 /nfs/dbraw/zinc/83/11/89/500831189.db2.gz QIBIBWPGDHKINS-OAQYLSRUSA-N 2 1 372.557 3.085 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000434689658 500880127 /nfs/dbraw/zinc/88/01/27/500880127.db2.gz XFJVYXOMXVHGLQ-LJQANCHMSA-N 2 1 353.510 3.275 20 0 FGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000434782001 500893915 /nfs/dbraw/zinc/89/39/15/500893915.db2.gz HKEYJDSHSNYJRA-AHRSYUTCSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@@H](C[NH2+]CCC[N@@H+](C)Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000449068507 500916491 /nfs/dbraw/zinc/91/64/91/500916491.db2.gz STDYNCCOCYPACC-SFHVURJKSA-N 2 1 374.550 3.305 20 0 FGADMP C[C@@H](C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080919 500919636 /nfs/dbraw/zinc/91/96/36/500919636.db2.gz AHCRFIXMHROQHN-KSZLIROESA-N 2 1 366.571 3.151 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000449082219 500920405 /nfs/dbraw/zinc/92/04/05/500920405.db2.gz LNWFBYLVQMUTOQ-CALCHBBNSA-N 2 1 354.498 3.253 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)n1 ZINC000449082219 500920406 /nfs/dbraw/zinc/92/04/06/500920406.db2.gz LNWFBYLVQMUTOQ-CALCHBBNSA-N 2 1 354.498 3.253 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000449083457 500921137 /nfs/dbraw/zinc/92/11/37/500921137.db2.gz BSXDIKAGNUWFDS-RBUKOAKNSA-N 2 1 357.542 3.073 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(=O)N1CCCCC1 ZINC000449083456 500921181 /nfs/dbraw/zinc/92/11/81/500921181.db2.gz BSXDIKAGNUWFDS-OALUTQOASA-N 2 1 357.542 3.073 20 0 FGADMP COc1cc(F)cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c1 ZINC000449096407 500924521 /nfs/dbraw/zinc/92/45/21/500924521.db2.gz HJGZDELLCNINLX-MRXNPFEDSA-N 2 1 358.457 3.345 20 0 FGADMP COc1cc(F)cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c1 ZINC000449096407 500924522 /nfs/dbraw/zinc/92/45/22/500924522.db2.gz HJGZDELLCNINLX-MRXNPFEDSA-N 2 1 358.457 3.345 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000607686992 506224651 /nfs/dbraw/zinc/22/46/51/506224651.db2.gz PPZPKNTXTLLKAF-MOPGFXCFSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000607686992 506224655 /nfs/dbraw/zinc/22/46/55/506224655.db2.gz PPZPKNTXTLLKAF-MOPGFXCFSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000607686992 506224659 /nfs/dbraw/zinc/22/46/59/506224659.db2.gz PPZPKNTXTLLKAF-MOPGFXCFSA-N 2 1 373.541 3.106 20 0 FGADMP COCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449114697 500928221 /nfs/dbraw/zinc/92/82/21/500928221.db2.gz DQGLEKAJMMRREW-LJQANCHMSA-N 2 1 353.595 3.366 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145483 500934348 /nfs/dbraw/zinc/93/43/48/500934348.db2.gz LKQHEMSJLBPTMY-NHCUHLMSSA-N 2 1 357.542 3.442 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(I)cc1 ZINC000449164104 500938208 /nfs/dbraw/zinc/93/82/08/500938208.db2.gz OSPSCYFJMGTWAD-UHFFFAOYSA-N 2 1 369.250 3.366 20 0 FGADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000439839153 500944572 /nfs/dbraw/zinc/94/45/72/500944572.db2.gz VBHSGIZKCSEPMP-NRFANRHFSA-N 2 1 373.541 3.040 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203610 500947084 /nfs/dbraw/zinc/94/70/84/500947084.db2.gz HMENSNWPWXEHGO-ZWKOTPCHSA-N 2 1 366.571 3.151 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000449204664 500947597 /nfs/dbraw/zinc/94/75/97/500947597.db2.gz JYQLMIZLDOLSAK-JLSDUUJJSA-N 2 1 358.448 3.373 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)c2)cc1 ZINC000435370231 500961178 /nfs/dbraw/zinc/96/11/78/500961178.db2.gz IBIYOHVLUZOXSH-QAPCUYQASA-N 2 1 353.466 3.117 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@@H]1CCC[NH2+]1 ZINC000435375364 500962582 /nfs/dbraw/zinc/96/25/82/500962582.db2.gz UPDDRQXGOURUPM-XLIONFOSSA-N 2 1 367.493 3.027 20 0 FGADMP COc1ccc([C@H](C)C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435432066 500974820 /nfs/dbraw/zinc/97/48/20/500974820.db2.gz LJUTZNVMFRIMJH-XLIONFOSSA-N 2 1 368.525 3.177 20 0 FGADMP Cc1cc(C)c(C[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435435968 500976337 /nfs/dbraw/zinc/97/63/37/500976337.db2.gz CUOIOIGJPXUPKD-FQEVSTJZSA-N 2 1 352.526 3.490 20 0 FGADMP Cc1cc(C)c(C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1C ZINC000435435968 500976338 /nfs/dbraw/zinc/97/63/38/500976338.db2.gz CUOIOIGJPXUPKD-FQEVSTJZSA-N 2 1 352.526 3.490 20 0 FGADMP Cc1cccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1F ZINC000449325637 500978036 /nfs/dbraw/zinc/97/80/36/500978036.db2.gz OHEZDGQRGWTHQP-QZTJIDSGSA-N 2 1 364.505 3.224 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000440171719 500983795 /nfs/dbraw/zinc/98/37/95/500983795.db2.gz BJIBQKZUIBXWJW-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000440171719 500983799 /nfs/dbraw/zinc/98/37/99/500983799.db2.gz BJIBQKZUIBXWJW-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000440171719 500983802 /nfs/dbraw/zinc/98/38/02/500983802.db2.gz BJIBQKZUIBXWJW-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435625095 501004200 /nfs/dbraw/zinc/00/42/00/501004200.db2.gz KJFCZXQARSBLMW-OAHLLOKOSA-N 2 1 372.340 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435625095 501004203 /nfs/dbraw/zinc/00/42/03/501004203.db2.gz KJFCZXQARSBLMW-OAHLLOKOSA-N 2 1 372.340 3.416 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494576 501017713 /nfs/dbraw/zinc/01/77/13/501017713.db2.gz GXBYLOYJBCYAMF-REWPJTCUSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494576 501017716 /nfs/dbraw/zinc/01/77/16/501017716.db2.gz GXBYLOYJBCYAMF-REWPJTCUSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494576 501017719 /nfs/dbraw/zinc/01/77/19/501017719.db2.gz GXBYLOYJBCYAMF-REWPJTCUSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000449494576 501017722 /nfs/dbraw/zinc/01/77/22/501017722.db2.gz GXBYLOYJBCYAMF-REWPJTCUSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497479 501018763 /nfs/dbraw/zinc/01/87/63/501018763.db2.gz KMNWIHUOTRKDFL-HXUWFJFHSA-N 2 1 351.579 3.181 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497479 501018765 /nfs/dbraw/zinc/01/87/65/501018765.db2.gz KMNWIHUOTRKDFL-HXUWFJFHSA-N 2 1 351.579 3.181 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497479 501018768 /nfs/dbraw/zinc/01/87/68/501018768.db2.gz KMNWIHUOTRKDFL-HXUWFJFHSA-N 2 1 351.579 3.181 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC(C(C)C)C(C)C)C2)CC1 ZINC000449497479 501018770 /nfs/dbraw/zinc/01/87/70/501018770.db2.gz KMNWIHUOTRKDFL-HXUWFJFHSA-N 2 1 351.579 3.181 20 0 FGADMP Cn1nccc1[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449581999 501037770 /nfs/dbraw/zinc/03/77/70/501037770.db2.gz DAYPHODWHFEADI-CTNGQTDRSA-N 2 1 370.541 3.388 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCC3)cc2)C1 ZINC000445859036 501042631 /nfs/dbraw/zinc/04/26/31/501042631.db2.gz HQVWXXWEXZTGBK-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP CCCc1ncc(C[NH2+]Cc2ccccc2N2CC[NH+](CCC)CC2)o1 ZINC000449612207 501043881 /nfs/dbraw/zinc/04/38/81/501043881.db2.gz KMPFXFIVTFBMRG-UHFFFAOYSA-N 2 1 356.514 3.449 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]n1 ZINC000440811173 501051251 /nfs/dbraw/zinc/05/12/51/501051251.db2.gz XJYAEPHUIIETMI-HNNXBMFYSA-N 2 1 352.404 3.083 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]n1 ZINC000440811173 501051254 /nfs/dbraw/zinc/05/12/54/501051254.db2.gz XJYAEPHUIIETMI-HNNXBMFYSA-N 2 1 352.404 3.083 20 0 FGADMP Fc1cccc2[nH]c(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)cc21 ZINC000436268156 501098639 /nfs/dbraw/zinc/09/86/39/501098639.db2.gz SXTHIHUJFZKHDI-UHFFFAOYSA-N 2 1 353.441 3.429 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000441382158 501130434 /nfs/dbraw/zinc/13/04/34/501130434.db2.gz NKEROCDJCOCAJY-AZUAARDMSA-N 2 1 372.557 3.165 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)NCc1ccccc1Cl ZINC000441449870 501141332 /nfs/dbraw/zinc/14/13/32/501141332.db2.gz RMOPWVHNLPDELE-KRWDZBQOSA-N 2 1 363.933 3.154 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450649799 501177090 /nfs/dbraw/zinc/17/70/90/501177090.db2.gz MFIDUPNFZVAHHP-IXDOHACOSA-N 2 1 360.489 3.012 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450649799 501177091 /nfs/dbraw/zinc/17/70/91/501177091.db2.gz MFIDUPNFZVAHHP-IXDOHACOSA-N 2 1 360.489 3.012 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@@H]2CCCOC2)ccc1F)[C@H]1CCCOC1 ZINC000450978431 501236574 /nfs/dbraw/zinc/23/65/74/501236574.db2.gz MCXFUSWGILIYGW-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@H]2CCCOC2)c1)[C@@H]1CCCOC1 ZINC000450978431 501236575 /nfs/dbraw/zinc/23/65/75/501236575.db2.gz MCXFUSWGILIYGW-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCCOC2)c1)[C@@H]1CCCOC1 ZINC000450978431 501236576 /nfs/dbraw/zinc/23/65/76/501236576.db2.gz MCXFUSWGILIYGW-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[C@H]1C[C@@H](NCc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c2nccn21 ZINC000453078439 501264194 /nfs/dbraw/zinc/26/41/94/501264194.db2.gz GDXNOXGVRNQLOT-MIALQEHNSA-N 2 1 354.498 3.288 20 0 FGADMP C[C@H]1C[C@@H](NCc2ccccc2CN2C[C@@H](C)O[C@@H](C)C2)c2nccn21 ZINC000453078439 501264197 /nfs/dbraw/zinc/26/41/97/501264197.db2.gz GDXNOXGVRNQLOT-MIALQEHNSA-N 2 1 354.498 3.288 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453102647 501269698 /nfs/dbraw/zinc/26/96/98/501269698.db2.gz YGHNIJOYGVXTMB-FDTLVRFQSA-N 2 1 369.553 3.467 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCC3)c2)C1 ZINC000453109352 501271104 /nfs/dbraw/zinc/27/11/04/501271104.db2.gz MHVYLSILEQZIHO-RTWAWAEBSA-N 2 1 355.526 3.052 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453126755 501274746 /nfs/dbraw/zinc/27/47/46/501274746.db2.gz KTQMVNCRTFDGET-SSGKUCQKSA-N 3 1 373.585 3.376 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453126755 501274748 /nfs/dbraw/zinc/27/47/48/501274748.db2.gz KTQMVNCRTFDGET-SSGKUCQKSA-N 2 1 373.585 3.376 20 0 FGADMP CN1CCO[C@H]([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420158 501327978 /nfs/dbraw/zinc/32/79/78/501327978.db2.gz ZJSCITQISRNFCX-VQTJNVASSA-N 2 1 365.949 3.176 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329465 /nfs/dbraw/zinc/32/94/65/501329465.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329468 /nfs/dbraw/zinc/32/94/68/501329468.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451578753 501329471 /nfs/dbraw/zinc/32/94/71/501329471.db2.gz XMFRYLPFQOCPOO-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000582481199 506246673 /nfs/dbraw/zinc/24/66/73/506246673.db2.gz IHVNILFLKWBFFZ-AEFFLSMTSA-N 2 1 354.922 3.324 20 0 FGADMP C[N@@H+](CCCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC000455613516 501347644 /nfs/dbraw/zinc/34/76/44/501347644.db2.gz NHUROVRVHLQNEM-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134067 501377492 /nfs/dbraw/zinc/37/74/92/501377492.db2.gz HSSYSTILSKRQMI-NHCUHLMSSA-N 2 1 372.557 3.256 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)c1ccco1 ZINC000455880897 501405737 /nfs/dbraw/zinc/40/57/37/501405737.db2.gz SKEGMUFCEVCFQD-ROUUACIJSA-N 2 1 356.470 3.253 20 0 FGADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451977195 501412054 /nfs/dbraw/zinc/41/20/54/501412054.db2.gz ZYOLDKQWRMRQOE-FQEVSTJZSA-N 2 1 359.489 3.014 20 0 FGADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451977195 501412057 /nfs/dbraw/zinc/41/20/57/501412057.db2.gz ZYOLDKQWRMRQOE-FQEVSTJZSA-N 2 1 359.489 3.014 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000452160166 501448337 /nfs/dbraw/zinc/44/83/37/501448337.db2.gz BWYPDTBKHUIVTR-PKOBYXMFSA-N 2 1 363.571 3.392 20 0 FGADMP C[C@H](CCNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000458511114 501462589 /nfs/dbraw/zinc/46/25/89/501462589.db2.gz POSJCZLIPHGLAD-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000458511114 501462591 /nfs/dbraw/zinc/46/25/91/501462591.db2.gz POSJCZLIPHGLAD-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000458511114 501462595 /nfs/dbraw/zinc/46/25/95/501462595.db2.gz POSJCZLIPHGLAD-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000456346207 501505341 /nfs/dbraw/zinc/50/53/41/501505341.db2.gz SMZDQTQACYUHRV-QGZVFWFLSA-N 2 1 371.550 3.404 20 0 FGADMP C[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000456346207 501505342 /nfs/dbraw/zinc/50/53/42/501505342.db2.gz SMZDQTQACYUHRV-QGZVFWFLSA-N 2 1 371.550 3.404 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)[NH+](C)C ZINC000458788392 501531898 /nfs/dbraw/zinc/53/18/98/501531898.db2.gz YCBHJNPITLCBCS-GGPKGHCWSA-N 2 1 360.546 3.110 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000458793581 501532724 /nfs/dbraw/zinc/53/27/24/501532724.db2.gz NNMHKNFPPWXSDI-CTNGQTDRSA-N 2 1 374.573 3.225 20 0 FGADMP CN(C(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458860461 501547184 /nfs/dbraw/zinc/54/71/84/501547184.db2.gz VRMYRYJEEOJVSG-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981241 501570449 /nfs/dbraw/zinc/57/04/49/501570449.db2.gz TVOYEKFNXKUXSO-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458981241 501570452 /nfs/dbraw/zinc/57/04/52/501570452.db2.gz TVOYEKFNXKUXSO-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458981241 501570454 /nfs/dbraw/zinc/57/04/54/501570454.db2.gz TVOYEKFNXKUXSO-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CN(c2ccccc2C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000459342915 501635568 /nfs/dbraw/zinc/63/55/68/501635568.db2.gz YJHFEHLVJSFNGM-SFHVURJKSA-N 2 1 368.525 3.100 20 0 FGADMP FC(F)Oc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459417718 501650618 /nfs/dbraw/zinc/65/06/18/501650618.db2.gz UPIMEUXTUMOANT-HNNXBMFYSA-N 2 1 351.441 3.083 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454960854 501662021 /nfs/dbraw/zinc/66/20/21/501662021.db2.gz MLUBABZHHYVHMN-FPOVZHCZSA-N 2 1 372.557 3.215 20 0 FGADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OCc1cccnc1 ZINC000459736672 501706166 /nfs/dbraw/zinc/70/61/66/501706166.db2.gz QJVGJTYKFGZDEO-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc(I)c2)C1 ZINC000598994262 506268837 /nfs/dbraw/zinc/26/88/37/506268837.db2.gz HPIRWXGBKWDKGL-CQSZACIVSA-N 2 1 358.267 3.113 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000459764053 501710621 /nfs/dbraw/zinc/71/06/21/501710621.db2.gz WNIQZMUJYBRLEN-QIJUGHKUSA-N 2 1 368.521 3.271 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000477615097 501738187 /nfs/dbraw/zinc/73/81/87/501738187.db2.gz ZKRDHJNCSDGWRP-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234106 501764761 /nfs/dbraw/zinc/76/47/61/501764761.db2.gz IYRPTQFRKJJTLF-MYGLTJDJSA-N 2 1 369.553 3.278 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000481424120 501771961 /nfs/dbraw/zinc/77/19/61/501771961.db2.gz OEVFUIYVFMSOJF-ZWKOTPCHSA-N 2 1 358.530 3.222 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(C)c2)[C@@H](C)C1 ZINC000467373662 501780070 /nfs/dbraw/zinc/78/00/70/501780070.db2.gz OOSIDGJZQXEOPN-XJKSGUPXSA-N 2 1 372.294 3.420 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000467378236 501781682 /nfs/dbraw/zinc/78/16/82/501781682.db2.gz UJGXDGOBWAZJLG-QAPCUYQASA-N 2 1 358.448 3.463 20 0 FGADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1I ZINC000467388543 501784061 /nfs/dbraw/zinc/78/40/61/501784061.db2.gz LWVXYWJAVGJSNH-OCCSQVGLSA-N 2 1 358.267 3.172 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000477856317 501810218 /nfs/dbraw/zinc/81/02/18/501810218.db2.gz QBZUUCMSNFPNRN-JJRVBVJISA-N 2 1 373.522 3.415 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3Cl)C2)CC1 ZINC000474424542 501831002 /nfs/dbraw/zinc/83/10/02/501831002.db2.gz GRSBCHUMYUOVJX-INIZCTEOSA-N 2 1 372.340 3.273 20 0 FGADMP C[C@H](C(=O)NC1CCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485493224 501837035 /nfs/dbraw/zinc/83/70/35/501837035.db2.gz SEUPCXUDUCSRBO-LJQANCHMSA-N 2 1 369.553 3.422 20 0 FGADMP O[C@@]1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000481664188 501843424 /nfs/dbraw/zinc/84/34/24/501843424.db2.gz WJAIYBHJCINBIJ-FCHUYYIVSA-N 2 1 351.494 3.149 20 0 FGADMP O[C@@]1(C[NH2+][C@H](c2cccnc2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000481664188 501843426 /nfs/dbraw/zinc/84/34/26/501843426.db2.gz WJAIYBHJCINBIJ-FCHUYYIVSA-N 2 1 351.494 3.149 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000477973175 501844024 /nfs/dbraw/zinc/84/40/24/501844024.db2.gz XQZZQTVVDPSSIN-CBNMVNINSA-N 2 1 373.516 3.313 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000477973175 501844034 /nfs/dbraw/zinc/84/40/34/501844034.db2.gz XQZZQTVVDPSSIN-CBNMVNINSA-N 2 1 373.516 3.313 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000467700771 501848588 /nfs/dbraw/zinc/84/85/88/501848588.db2.gz NRGREKKMLXDYJP-GIVPXCGWSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700771 501848593 /nfs/dbraw/zinc/84/85/93/501848593.db2.gz NRGREKKMLXDYJP-GIVPXCGWSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700771 501848595 /nfs/dbraw/zinc/84/85/95/501848595.db2.gz NRGREKKMLXDYJP-GIVPXCGWSA-N 2 1 369.553 3.420 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000478015645 501853776 /nfs/dbraw/zinc/85/37/76/501853776.db2.gz KGYGWGUVVRHUBU-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000467843312 501889295 /nfs/dbraw/zinc/88/92/95/501889295.db2.gz WDDIOBCYWVJRFS-KRWDZBQOSA-N 2 1 370.493 3.387 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000478148414 501893550 /nfs/dbraw/zinc/89/35/50/501893550.db2.gz YPXNLFJMOPRJCP-HOJAQTOUSA-N 2 1 362.562 3.048 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccc(F)cc1 ZINC000474629627 501900342 /nfs/dbraw/zinc/90/03/42/501900342.db2.gz NBOIHDDYNPQOMT-BPJPHKDRSA-N 2 1 361.505 3.104 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000468018781 501931070 /nfs/dbraw/zinc/93/10/70/501931070.db2.gz BKFFWCVILANQLB-UXPWSPDFSA-N 2 1 362.514 3.245 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000468018781 501931073 /nfs/dbraw/zinc/93/10/73/501931073.db2.gz BKFFWCVILANQLB-UXPWSPDFSA-N 2 1 362.514 3.245 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000474802462 501958155 /nfs/dbraw/zinc/95/81/55/501958155.db2.gz RCIVQZGHBDOOHO-OHNKGQGDSA-N 2 1 358.526 3.464 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H]1C ZINC000474802462 501958159 /nfs/dbraw/zinc/95/81/59/501958159.db2.gz RCIVQZGHBDOOHO-OHNKGQGDSA-N 2 1 358.526 3.464 20 0 FGADMP CC(C)[C@H]1OCCC[C@@H]1Nc1nc(N2CCC([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000485863281 501965682 /nfs/dbraw/zinc/96/56/82/501965682.db2.gz NJVUOQLBLQCTRY-AZUAARDMSA-N 2 1 373.545 3.157 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000482122839 501980896 /nfs/dbraw/zinc/98/08/96/501980896.db2.gz GCCIDCQNBUMXJX-FXAWDEMLSA-N 2 1 374.529 3.074 20 0 FGADMP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@@H]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486027834 502023645 /nfs/dbraw/zinc/02/36/45/502023645.db2.gz KVWMDCVJWASXMJ-SESVDKBCSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027834 502023651 /nfs/dbraw/zinc/02/36/51/502023651.db2.gz KVWMDCVJWASXMJ-SESVDKBCSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027834 502023654 /nfs/dbraw/zinc/02/36/54/502023654.db2.gz KVWMDCVJWASXMJ-SESVDKBCSA-N 2 1 357.542 3.087 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000475021487 502023787 /nfs/dbraw/zinc/02/37/87/502023787.db2.gz DBICNZDEUCNKTM-MOPGFXCFSA-N 2 1 357.523 3.304 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccsc1)c1ccccc1 ZINC000475021487 502023790 /nfs/dbraw/zinc/02/37/90/502023790.db2.gz DBICNZDEUCNKTM-MOPGFXCFSA-N 2 1 357.523 3.304 20 0 FGADMP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000482268726 502025419 /nfs/dbraw/zinc/02/54/19/502025419.db2.gz ZQXNSHQHFCGKQY-CQSZACIVSA-N 2 1 370.419 3.237 20 0 FGADMP C[C@H](CCNC(=O)C[N@H+](C)Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000471466827 502036398 /nfs/dbraw/zinc/03/63/98/502036398.db2.gz YGLVNVADHFROBQ-LJQANCHMSA-N 2 1 353.510 3.145 20 0 FGADMP C[C@H](CCNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000471466827 502036401 /nfs/dbraw/zinc/03/64/01/502036401.db2.gz YGLVNVADHFROBQ-LJQANCHMSA-N 2 1 353.510 3.145 20 0 FGADMP C[C@H](CCNC(=O)C[NH+](C)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000471466827 502036405 /nfs/dbraw/zinc/03/64/05/502036405.db2.gz YGLVNVADHFROBQ-LJQANCHMSA-N 2 1 353.510 3.145 20 0 FGADMP C[C@H](CCNC(=O)C[NH+](C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000471466827 502036409 /nfs/dbraw/zinc/03/64/09/502036409.db2.gz YGLVNVADHFROBQ-LJQANCHMSA-N 2 1 353.510 3.145 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093620 502054833 /nfs/dbraw/zinc/05/48/33/502054833.db2.gz HAKRZJBRYPTNDV-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475093620 502054840 /nfs/dbraw/zinc/05/48/40/502054840.db2.gz HAKRZJBRYPTNDV-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475093620 502054847 /nfs/dbraw/zinc/05/48/47/502054847.db2.gz HAKRZJBRYPTNDV-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475097821 502057219 /nfs/dbraw/zinc/05/72/19/502057219.db2.gz QYHPKFPBBMUYHE-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C2 ZINC000475107762 502062830 /nfs/dbraw/zinc/06/28/30/502062830.db2.gz GVDAQRWDBZTFIH-VWKPWSFCSA-N 2 1 360.546 3.265 20 0 FGADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000482454616 502073813 /nfs/dbraw/zinc/07/38/13/502073813.db2.gz MMHTZANGKNKTGX-IBGZPJMESA-N 2 1 365.949 3.051 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)CC1 ZINC000475151852 502082590 /nfs/dbraw/zinc/08/25/90/502082590.db2.gz SGCZSMAMLYMHPR-PZJWPPBQSA-N 2 1 357.542 3.198 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000478841929 502102094 /nfs/dbraw/zinc/10/20/94/502102094.db2.gz RYYSGKVIBNENOY-FQEVSTJZSA-N 2 1 360.546 3.200 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000478841929 502102098 /nfs/dbraw/zinc/10/20/98/502102098.db2.gz RYYSGKVIBNENOY-FQEVSTJZSA-N 2 1 360.546 3.200 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000478841929 502102101 /nfs/dbraw/zinc/10/21/01/502102101.db2.gz RYYSGKVIBNENOY-FQEVSTJZSA-N 2 1 360.546 3.200 20 0 FGADMP COC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000482569494 502112912 /nfs/dbraw/zinc/11/29/12/502112912.db2.gz VWXUGQGUWBAJIP-GOSISDBHSA-N 2 1 373.463 3.010 20 0 FGADMP CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475369192 502151294 /nfs/dbraw/zinc/15/12/94/502151294.db2.gz NUBSKQQSPXRYOA-IBGZPJMESA-N 2 1 351.560 3.283 20 0 FGADMP CC(C)C[C@]1(CO)CCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475369192 502151298 /nfs/dbraw/zinc/15/12/98/502151298.db2.gz NUBSKQQSPXRYOA-IBGZPJMESA-N 2 1 351.560 3.283 20 0 FGADMP CC(C)C[C@]1(CO)CCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000475369192 502151300 /nfs/dbraw/zinc/15/13/00/502151300.db2.gz NUBSKQQSPXRYOA-IBGZPJMESA-N 2 1 351.560 3.283 20 0 FGADMP CC(C)C[C@]1(CO)CCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000475369192 502151303 /nfs/dbraw/zinc/15/13/03/502151303.db2.gz NUBSKQQSPXRYOA-IBGZPJMESA-N 2 1 351.560 3.283 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOC(C)(C)C2)CCCCC1 ZINC000482725272 502162789 /nfs/dbraw/zinc/16/27/89/502162789.db2.gz VGLYHMYRHLMZEU-QYZOEREBSA-N 2 1 351.579 3.118 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000475495423 502190399 /nfs/dbraw/zinc/19/03/99/502190399.db2.gz DYXQTYLJWJKCKD-NRFANRHFSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000475495423 502190404 /nfs/dbraw/zinc/19/04/04/502190404.db2.gz DYXQTYLJWJKCKD-NRFANRHFSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)CCCO2 ZINC000482872808 502203870 /nfs/dbraw/zinc/20/38/70/502203870.db2.gz DABHSUHUJHWFFD-FQEVSTJZSA-N 2 1 373.541 3.049 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000465221495 502219225 /nfs/dbraw/zinc/21/92/25/502219225.db2.gz PWRDVOYMIUGVBC-FPOVZHCZSA-N 2 1 374.573 3.129 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472117546 502238748 /nfs/dbraw/zinc/23/87/48/502238748.db2.gz JWUOJAAEOCUXLQ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730877 502268192 /nfs/dbraw/zinc/26/81/92/502268192.db2.gz SNVQTGIRMWRQCV-JOCHJYFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730877 502268196 /nfs/dbraw/zinc/26/81/96/502268196.db2.gz SNVQTGIRMWRQCV-JOCHJYFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730877 502268198 /nfs/dbraw/zinc/26/81/98/502268198.db2.gz SNVQTGIRMWRQCV-JOCHJYFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000462015523 502275833 /nfs/dbraw/zinc/27/58/33/502275833.db2.gz QABUDIRPPLPJRE-HSALFYBXSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000462015523 502275835 /nfs/dbraw/zinc/27/58/35/502275835.db2.gz QABUDIRPPLPJRE-HSALFYBXSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000462015523 502275837 /nfs/dbraw/zinc/27/58/37/502275837.db2.gz QABUDIRPPLPJRE-HSALFYBXSA-N 2 1 366.594 3.403 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517913 502284825 /nfs/dbraw/zinc/28/48/25/502284825.db2.gz CLVMMBQCZFFKGS-IBGZPJMESA-N 2 1 364.578 3.205 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517913 502284828 /nfs/dbraw/zinc/28/48/28/502284828.db2.gz CLVMMBQCZFFKGS-IBGZPJMESA-N 2 1 364.578 3.205 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517913 502284832 /nfs/dbraw/zinc/28/48/32/502284832.db2.gz CLVMMBQCZFFKGS-IBGZPJMESA-N 2 1 364.578 3.205 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000472260562 502288478 /nfs/dbraw/zinc/28/84/78/502288478.db2.gz IHYKKWPVESTOSX-GOSISDBHSA-N 2 1 361.530 3.181 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2C(C)C)C1 ZINC000472260562 502288483 /nfs/dbraw/zinc/28/84/83/502288483.db2.gz IHYKKWPVESTOSX-GOSISDBHSA-N 2 1 361.530 3.181 20 0 FGADMP CC(C)[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCC(C)CC1 ZINC000465530140 502290948 /nfs/dbraw/zinc/29/09/48/502290948.db2.gz NBOOMRGRESOYFQ-VQTJNVASSA-N 2 1 366.594 3.259 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000465545169 502300645 /nfs/dbraw/zinc/30/06/45/502300645.db2.gz BMIPOEZOIPBTCY-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000465545169 502300649 /nfs/dbraw/zinc/30/06/49/502300649.db2.gz BMIPOEZOIPBTCY-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000465545169 502300654 /nfs/dbraw/zinc/30/06/54/502300654.db2.gz BMIPOEZOIPBTCY-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000462117957 502313143 /nfs/dbraw/zinc/31/31/43/502313143.db2.gz NAMFEVBKXAMNQT-HNNXBMFYSA-N 2 1 357.420 3.238 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462140186 502321477 /nfs/dbraw/zinc/32/14/77/502321477.db2.gz LNAJUYRURKZBEP-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000479698183 502348997 /nfs/dbraw/zinc/34/89/97/502348997.db2.gz CFAVDGLOQHMYPU-IBGZPJMESA-N 2 1 358.530 3.218 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465692838 502349046 /nfs/dbraw/zinc/34/90/46/502349046.db2.gz KKJVUXRQPXMTJE-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465692838 502349049 /nfs/dbraw/zinc/34/90/49/502349049.db2.gz KKJVUXRQPXMTJE-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@@H+]1CC[C@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@@H]1C ZINC000462270790 502375525 /nfs/dbraw/zinc/37/55/25/502375525.db2.gz VTYXDKJIQJNVGY-HKUYNNGSSA-N 2 1 373.545 3.004 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@@H]1C ZINC000462270790 502375527 /nfs/dbraw/zinc/37/55/27/502375527.db2.gz VTYXDKJIQJNVGY-HKUYNNGSSA-N 2 1 373.545 3.004 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465773199 502379786 /nfs/dbraw/zinc/37/97/86/502379786.db2.gz YTSKRIUWWONLNO-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465773197 502379798 /nfs/dbraw/zinc/37/97/98/502379798.db2.gz YTSKRIUWWONLNO-OALUTQOASA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000469367181 502389117 /nfs/dbraw/zinc/38/91/17/502389117.db2.gz KDEMDXBXZUGKJU-RTBURBONSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[NH+](CC)CC ZINC000469370573 502389745 /nfs/dbraw/zinc/38/97/45/502389745.db2.gz BNOHPJLKVCXXAK-NRFANRHFSA-N 2 1 359.558 3.477 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)C1 ZINC000465809769 502391650 /nfs/dbraw/zinc/39/16/50/502391650.db2.gz JTSMRUPBZRBSNS-ZWKOTPCHSA-N 2 1 364.534 3.036 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000465864215 502407057 /nfs/dbraw/zinc/40/70/57/502407057.db2.gz CMAROHBQTMJSTI-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000465864215 502407061 /nfs/dbraw/zinc/40/70/61/502407061.db2.gz CMAROHBQTMJSTI-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000465864215 502407065 /nfs/dbraw/zinc/40/70/65/502407065.db2.gz CMAROHBQTMJSTI-MOPGFXCFSA-N 2 1 352.567 3.157 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000487275855 502407178 /nfs/dbraw/zinc/40/71/78/502407178.db2.gz ZPUHNMNZOFJBGS-NRFANRHFSA-N 2 1 367.493 3.453 20 0 FGADMP CCN(C)[C@H](C(=O)N1CCC(Oc2ccncc2C)CC1)c1ccccc1 ZINC000487275855 502407181 /nfs/dbraw/zinc/40/71/81/502407181.db2.gz ZPUHNMNZOFJBGS-NRFANRHFSA-N 2 1 367.493 3.453 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000469434693 502415288 /nfs/dbraw/zinc/41/52/88/502415288.db2.gz SFBDUMWTKQPBQX-HBMCJLEFSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000469434693 502415296 /nfs/dbraw/zinc/41/52/96/502415296.db2.gz SFBDUMWTKQPBQX-HBMCJLEFSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000469434693 502415303 /nfs/dbraw/zinc/41/53/03/502415303.db2.gz SFBDUMWTKQPBQX-HBMCJLEFSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000469438428 502418713 /nfs/dbraw/zinc/41/87/13/502418713.db2.gz KLLJGCKAQUXSHU-ACRUOGEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000469438428 502418717 /nfs/dbraw/zinc/41/87/17/502418717.db2.gz KLLJGCKAQUXSHU-ACRUOGEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000469438428 502418723 /nfs/dbraw/zinc/41/87/23/502418723.db2.gz KLLJGCKAQUXSHU-ACRUOGEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC2CC[NH+](CC)CC2)C1 ZINC000465895853 502419379 /nfs/dbraw/zinc/41/93/79/502419379.db2.gz VZQMWADYUGNQKU-GOSISDBHSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000469441305 502420061 /nfs/dbraw/zinc/42/00/61/502420061.db2.gz TUJFUAWBWZQXPD-CUWPLCDZSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000469441305 502420064 /nfs/dbraw/zinc/42/00/64/502420064.db2.gz TUJFUAWBWZQXPD-CUWPLCDZSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000469441305 502420066 /nfs/dbraw/zinc/42/00/66/502420066.db2.gz TUJFUAWBWZQXPD-CUWPLCDZSA-N 2 1 372.557 3.067 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000465910797 502424497 /nfs/dbraw/zinc/42/44/97/502424497.db2.gz ONOLGRUPURGMMJ-QUCCMNQESA-N 2 1 372.557 3.434 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC([NH+]2CCc3ccccc3C2)CC1 ZINC000483704481 502468992 /nfs/dbraw/zinc/46/89/92/502468992.db2.gz DNLBNAXBQVNJFL-NRFANRHFSA-N 2 1 369.553 3.300 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC([N@@H+]2CCc3ccccc3C2)CC1 ZINC000483704481 502468998 /nfs/dbraw/zinc/46/89/98/502468998.db2.gz DNLBNAXBQVNJFL-NRFANRHFSA-N 2 1 369.553 3.300 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000483704481 502469005 /nfs/dbraw/zinc/46/90/05/502469005.db2.gz DNLBNAXBQVNJFL-NRFANRHFSA-N 2 1 369.553 3.300 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)c1 ZINC000483744855 502481537 /nfs/dbraw/zinc/48/15/37/502481537.db2.gz KPYUCHXNEAXQHG-PXNSSMCTSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000483744855 502481543 /nfs/dbraw/zinc/48/15/43/502481543.db2.gz KPYUCHXNEAXQHG-PXNSSMCTSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)c1 ZINC000483744855 502481545 /nfs/dbraw/zinc/48/15/45/502481545.db2.gz KPYUCHXNEAXQHG-PXNSSMCTSA-N 2 1 360.546 3.153 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483753182 502483626 /nfs/dbraw/zinc/48/36/26/502483626.db2.gz YOAQIMOWQNDKTJ-KURKYZTESA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483753182 502483629 /nfs/dbraw/zinc/48/36/29/502483629.db2.gz YOAQIMOWQNDKTJ-KURKYZTESA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000483753182 502483634 /nfs/dbraw/zinc/48/36/34/502483634.db2.gz YOAQIMOWQNDKTJ-KURKYZTESA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc4c(c3)OCO4)no2)CC1 ZINC000588709556 506317134 /nfs/dbraw/zinc/31/71/34/506317134.db2.gz ZKHSCKJIUKZPHW-UHFFFAOYSA-N 2 1 372.469 3.019 20 0 FGADMP CCn1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c2ccccc21 ZINC000473130780 502524231 /nfs/dbraw/zinc/52/42/31/502524231.db2.gz DJBWMNIKGKMSBC-HDICACEKSA-N 2 1 370.541 3.377 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000487863278 502550950 /nfs/dbraw/zinc/55/09/50/502550950.db2.gz VWAWAXNLTGZLAF-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000469861928 502572021 /nfs/dbraw/zinc/57/20/21/502572021.db2.gz LTBJHQGPEPYVPH-TZMCWYRMSA-N 2 1 363.303 3.112 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000469863327 502573752 /nfs/dbraw/zinc/57/37/52/502573752.db2.gz QKNPUZLIGKPICN-CQSZACIVSA-N 2 1 357.292 3.026 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Br)c2c(c1)OCCO2 ZINC000469863327 502573756 /nfs/dbraw/zinc/57/37/56/502573756.db2.gz QKNPUZLIGKPICN-CQSZACIVSA-N 2 1 357.292 3.026 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000484145469 502583514 /nfs/dbraw/zinc/58/35/14/502583514.db2.gz SAJPSGZHDDKJTB-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000462812468 502583983 /nfs/dbraw/zinc/58/39/83/502583983.db2.gz NYQZWCGAEGIASI-DUXKGJEZSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812468 502583990 /nfs/dbraw/zinc/58/39/90/502583990.db2.gz NYQZWCGAEGIASI-DUXKGJEZSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000462812468 502583995 /nfs/dbraw/zinc/58/39/95/502583995.db2.gz NYQZWCGAEGIASI-DUXKGJEZSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466517908 502594883 /nfs/dbraw/zinc/59/48/83/502594883.db2.gz KUPPLPOYCVNPCD-GHTZIAJQSA-N 2 1 372.557 3.261 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584088 502610551 /nfs/dbraw/zinc/61/05/51/502610551.db2.gz PEAYUQUYJWZNDX-ONTIZHBOSA-N 2 1 359.558 3.158 20 0 FGADMP Cc1cccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000480612366 502620975 /nfs/dbraw/zinc/62/09/75/502620975.db2.gz RKYHRJKRMQOQOH-GOSISDBHSA-N 2 1 351.494 3.233 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(CN[C@@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000480615492 502621837 /nfs/dbraw/zinc/62/18/37/502621837.db2.gz WGGAQMBAVFDFFN-XMSQKQJNSA-N 2 1 365.521 3.355 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000480615492 502621844 /nfs/dbraw/zinc/62/18/44/502621844.db2.gz WGGAQMBAVFDFFN-XMSQKQJNSA-N 2 1 365.521 3.355 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000480771663 502666087 /nfs/dbraw/zinc/66/60/87/502666087.db2.gz OQPLXZHOUVFAQI-PKOBYXMFSA-N 2 1 352.494 3.418 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000466812702 502690732 /nfs/dbraw/zinc/69/07/32/502690732.db2.gz CMMWGVPMIYYOSU-HXUWFJFHSA-N 2 1 362.514 3.032 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463126671 502701878 /nfs/dbraw/zinc/70/18/78/502701878.db2.gz KBNDTZRKGVJLDZ-GCJKJVERSA-N 2 1 365.521 3.231 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463126671 502701885 /nfs/dbraw/zinc/70/18/85/502701885.db2.gz KBNDTZRKGVJLDZ-GCJKJVERSA-N 2 1 365.521 3.231 20 0 FGADMP CSc1cc2c(cc1C[NH2+]CC(C)(C)C[NH+]1CCCC1)OCCO2 ZINC000480915765 502704242 /nfs/dbraw/zinc/70/42/42/502704242.db2.gz UGFSQQNNMPQEQO-UHFFFAOYSA-N 2 1 350.528 3.391 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CS[C@@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420495 502711142 /nfs/dbraw/zinc/71/11/42/502711142.db2.gz WIJNITZAIGQTRB-WOJBJXKFSA-N 2 1 361.599 3.444 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2cccc(Br)c21 ZINC000481056072 502742512 /nfs/dbraw/zinc/74/25/12/502742512.db2.gz VHJDUYOWWHXDMM-DVOMOZLQSA-N 2 1 353.304 3.044 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000477397680 502764027 /nfs/dbraw/zinc/76/40/27/502764027.db2.gz XUELHJHPYCZBDW-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+](CC)CC ZINC000484938889 502782657 /nfs/dbraw/zinc/78/26/57/502782657.db2.gz MIZGURGIWKVIAX-NJDAHSKKSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962112 502787537 /nfs/dbraw/zinc/78/75/37/502787537.db2.gz LFHORRUKMJUAJF-KLHJMIIUSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000484962112 502787542 /nfs/dbraw/zinc/78/75/42/502787542.db2.gz LFHORRUKMJUAJF-KLHJMIIUSA-N 2 1 371.912 3.215 20 0 FGADMP CC[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)CC1CC1 ZINC000484970391 502790031 /nfs/dbraw/zinc/79/00/31/502790031.db2.gz JUCLXSXARJAPBC-UHFFFAOYSA-N 2 1 365.521 3.216 20 0 FGADMP CC[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)CC1CC1 ZINC000484970391 502790038 /nfs/dbraw/zinc/79/00/38/502790038.db2.gz JUCLXSXARJAPBC-UHFFFAOYSA-N 2 1 365.521 3.216 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)CC[N@H+]2C2CC2)c1 ZINC000495407430 502835218 /nfs/dbraw/zinc/83/52/18/502835218.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407430 502835221 /nfs/dbraw/zinc/83/52/21/502835221.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407430 502835224 /nfs/dbraw/zinc/83/52/24/502835224.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407430 502835228 /nfs/dbraw/zinc/83/52/28/502835228.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCN2C2CC2)c1 ZINC000495407430 502835232 /nfs/dbraw/zinc/83/52/32/502835232.db2.gz IPSOXCJFLKZCQP-JHMKDJTOSA-N 2 1 355.526 3.189 20 0 FGADMP C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000500817378 502870324 /nfs/dbraw/zinc/87/03/24/502870324.db2.gz KSYOSYSOFRBRGS-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000501068830 502927333 /nfs/dbraw/zinc/92/73/33/502927333.db2.gz NDRYKEZYMHIBSV-UHFFFAOYSA-N 2 1 372.557 3.411 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000509591697 502943397 /nfs/dbraw/zinc/94/33/97/502943397.db2.gz RABBCQQMMROROT-FJIDUMEYSA-N 2 1 364.534 3.081 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602040 502945999 /nfs/dbraw/zinc/94/59/99/502945999.db2.gz JYTBGJPPUJEAEV-UNMCSNQZSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602040 502946003 /nfs/dbraw/zinc/94/60/03/502946003.db2.gz JYTBGJPPUJEAEV-UNMCSNQZSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602040 502946006 /nfs/dbraw/zinc/94/60/06/502946006.db2.gz JYTBGJPPUJEAEV-UNMCSNQZSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602040 502946016 /nfs/dbraw/zinc/94/60/16/502946016.db2.gz JYTBGJPPUJEAEV-UNMCSNQZSA-N 2 1 373.516 3.125 20 0 FGADMP O[C@H](C[NH2+][C@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000513466476 502946798 /nfs/dbraw/zinc/94/67/98/502946798.db2.gz GIHRXSMRGIAZRK-HIFRSBDPSA-N 2 1 371.344 3.032 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccsc1 ZINC000501149872 502949604 /nfs/dbraw/zinc/94/96/04/502949604.db2.gz IFJZANOMJFIRAI-FGTMMUONSA-N 2 1 364.559 3.057 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000513613917 502980458 /nfs/dbraw/zinc/98/04/58/502980458.db2.gz UXXYXFZUJVTATP-VXKWHMMOSA-N 2 1 365.521 3.356 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCc1ccc(C)cc1 ZINC000505804183 502989009 /nfs/dbraw/zinc/98/90/09/502989009.db2.gz ZXYORYODCLBXMQ-NRFANRHFSA-N 2 1 359.558 3.192 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000497566397 502990244 /nfs/dbraw/zinc/99/02/44/502990244.db2.gz RRKZEYNWRDWOJQ-HXUWFJFHSA-N 2 1 364.578 3.205 20 0 FGADMP Cn1nnc2cc(C[NH+]3CCC(C[N@@H+](C)Cc4ccccc4)CC3)ccc21 ZINC000513753427 503016549 /nfs/dbraw/zinc/01/65/49/503016549.db2.gz CPTVODOZILMBCG-UHFFFAOYSA-N 2 1 363.509 3.312 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000501518338 503027932 /nfs/dbraw/zinc/02/79/32/503027932.db2.gz RXXIAXXPRXZYSL-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000497736951 503029080 /nfs/dbraw/zinc/02/90/80/503029080.db2.gz WSJJUCKSEUWQSN-KRWDZBQOSA-N 2 1 355.526 3.012 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000497736951 503029084 /nfs/dbraw/zinc/02/90/84/503029084.db2.gz WSJJUCKSEUWQSN-KRWDZBQOSA-N 2 1 355.526 3.012 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H]3CCn4cc[nH+]c4C3)c2cc1OCC ZINC000489944089 503072214 /nfs/dbraw/zinc/07/22/14/503072214.db2.gz JNDXDTJZHVSUFX-CQSZACIVSA-N 2 1 352.438 3.078 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2-c2ccnn2C)C[C@H](C)O1 ZINC000510275526 503083139 /nfs/dbraw/zinc/08/31/39/503083139.db2.gz ZQGRPMULTURATI-HDICACEKSA-N 2 1 356.514 3.066 20 0 FGADMP COCCOCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514099999 503088258 /nfs/dbraw/zinc/08/82/58/503088258.db2.gz SKBOSXXRPRDNAY-BHDDXSALSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000514122757 503093482 /nfs/dbraw/zinc/09/34/82/503093482.db2.gz NRJWLGBBIKMABX-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000514122757 503093485 /nfs/dbraw/zinc/09/34/85/503093485.db2.gz NRJWLGBBIKMABX-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000514122757 503093487 /nfs/dbraw/zinc/09/34/87/503093487.db2.gz NRJWLGBBIKMABX-ZRNYENFQSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126584 503094520 /nfs/dbraw/zinc/09/45/20/503094520.db2.gz JVBWSLNJGKQUGJ-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000514126584 503094521 /nfs/dbraw/zinc/09/45/21/503094521.db2.gz JVBWSLNJGKQUGJ-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000514126584 503094524 /nfs/dbraw/zinc/09/45/24/503094524.db2.gz JVBWSLNJGKQUGJ-QRVBRYPASA-N 2 1 352.567 3.061 20 0 FGADMP Cc1ccc(C)c([C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2ccccc2)c1 ZINC000514221019 503116974 /nfs/dbraw/zinc/11/69/74/503116974.db2.gz FFWOGKDEEFYDTM-QHCPKHFHSA-N 2 1 365.521 3.147 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000514225774 503117386 /nfs/dbraw/zinc/11/73/86/503117386.db2.gz PKDSGGAYYRXHRM-RCCFBDPRSA-N 2 1 364.534 3.082 20 0 FGADMP Cc1ccccc1OC[C@H](O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471149 503121171 /nfs/dbraw/zinc/12/11/71/503121171.db2.gz CBJYYBNOOPWUOI-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471149 503121174 /nfs/dbraw/zinc/12/11/74/503121174.db2.gz CBJYYBNOOPWUOI-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506471149 503121179 /nfs/dbraw/zinc/12/11/79/503121179.db2.gz CBJYYBNOOPWUOI-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471149 503121181 /nfs/dbraw/zinc/12/11/81/503121181.db2.gz CBJYYBNOOPWUOI-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506471149 503121187 /nfs/dbraw/zinc/12/11/87/503121187.db2.gz CBJYYBNOOPWUOI-QHAWAJNXSA-N 2 1 360.542 3.321 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCCC[C@H]2/C=C\c2cccs2)CC1 ZINC000514238938 503122409 /nfs/dbraw/zinc/12/24/09/503122409.db2.gz ITMSLDAIHCOIQR-GIFJBRJJSA-N 2 1 361.555 3.170 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCCC[C@H]2/C=C\c2cccs2)CC1 ZINC000514238938 503122412 /nfs/dbraw/zinc/12/24/12/503122412.db2.gz ITMSLDAIHCOIQR-GIFJBRJJSA-N 2 1 361.555 3.170 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000498249938 503141911 /nfs/dbraw/zinc/14/19/11/503141911.db2.gz GOPNMQMSSVYKQN-QZTJIDSGSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000514664821 503161398 /nfs/dbraw/zinc/16/13/98/503161398.db2.gz WJDIGFZJSSWVMM-INWMFGNUSA-N 2 1 362.499 3.077 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCCC23CCOCC3)[C@@H](c2ccccc2)C1 ZINC000502249692 503169493 /nfs/dbraw/zinc/16/94/93/503169493.db2.gz OEZVXGGLWNOFBE-FGZHOGPDSA-N 2 1 371.569 3.304 20 0 FGADMP C[C@@H](CCc1c(F)cccc1F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000510735732 503181717 /nfs/dbraw/zinc/18/17/17/503181717.db2.gz OVDRXRQKSNOEJH-INIZCTEOSA-N 2 1 353.501 3.149 20 0 FGADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000498414387 503182487 /nfs/dbraw/zinc/18/24/87/503182487.db2.gz PHJKYHAKCNKFSS-AJYUKVHDSA-N 2 1 362.518 3.023 20 0 FGADMP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000502682028 503251230 /nfs/dbraw/zinc/25/12/30/503251230.db2.gz GPEZIIJKTQJJMX-CBQOVEMMSA-N 2 1 371.525 3.016 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848437 503275590 /nfs/dbraw/zinc/27/55/90/503275590.db2.gz DBCXQSUIXXRZFQ-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000498848437 503275595 /nfs/dbraw/zinc/27/55/95/503275595.db2.gz DBCXQSUIXXRZFQ-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000502810668 503278612 /nfs/dbraw/zinc/27/86/12/503278612.db2.gz APJGUXZIGRZVHA-QGZVFWFLSA-N 2 1 369.513 3.154 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000502860123 503291713 /nfs/dbraw/zinc/29/17/13/503291713.db2.gz LKIHXCGWHSEMLQ-LJQANCHMSA-N 2 1 366.594 3.262 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000498917846 503293120 /nfs/dbraw/zinc/29/31/20/503293120.db2.gz IHBWGIMBYBMSLD-SOLBZPMBSA-N 2 1 351.560 3.414 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc3c(c2)CCCC3)C1 ZINC000491293496 503294790 /nfs/dbraw/zinc/29/47/90/503294790.db2.gz FCSKZZOJLFFETD-QHCPKHFHSA-N 2 1 350.506 3.422 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502886633 503298675 /nfs/dbraw/zinc/29/86/75/503298675.db2.gz HNKYVIQLONEWGY-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H](C[NH2+]Cc1ccc(OC(F)F)c(Br)c1)C[NH+](C)C ZINC000491597111 503323019 /nfs/dbraw/zinc/32/30/19/503323019.db2.gz RGLKLRPCVJNUPL-SNVBAGLBSA-N 2 1 351.235 3.338 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000503093944 503344847 /nfs/dbraw/zinc/34/48/47/503344847.db2.gz ZSDJFZLYXKNKOR-SESVDKBCSA-N 2 1 372.557 3.386 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000503226982 503372010 /nfs/dbraw/zinc/37/20/10/503372010.db2.gz UJXXVQCQEMRORZ-OKZBNKHCSA-N 2 1 351.922 3.368 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000503226982 503372011 /nfs/dbraw/zinc/37/20/11/503372011.db2.gz UJXXVQCQEMRORZ-OKZBNKHCSA-N 2 1 351.922 3.368 20 0 FGADMP Fc1cccc(-c2noc([C@@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623098 503376034 /nfs/dbraw/zinc/37/60/34/503376034.db2.gz WRPDZOVSCUCPPS-NVXWUHKLSA-N 2 1 358.461 3.445 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000515843972 503410101 /nfs/dbraw/zinc/41/01/01/503410101.db2.gz HIHTYSUIBLIMAY-GOSISDBHSA-N 2 1 369.534 3.265 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1cccs1 ZINC000515843972 503410106 /nfs/dbraw/zinc/41/01/06/503410106.db2.gz HIHTYSUIBLIMAY-GOSISDBHSA-N 2 1 369.534 3.265 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000511917197 503414700 /nfs/dbraw/zinc/41/47/00/503414700.db2.gz SMKPRQUZZBUVGI-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[C@H](NCc2ncc(C[NH+](C)C)s2)CC[N@@H+]1Cc1ccccc1 ZINC000511995570 503431028 /nfs/dbraw/zinc/43/10/28/503431028.db2.gz AQYHYZNCIDWRLG-FUHWJXTLSA-N 2 1 358.555 3.347 20 0 FGADMP C[C@H]1C[C@H](NCc2ncc(C[NH+](C)C)s2)CC[N@H+]1Cc1ccccc1 ZINC000511995570 503431032 /nfs/dbraw/zinc/43/10/32/503431032.db2.gz AQYHYZNCIDWRLG-FUHWJXTLSA-N 2 1 358.555 3.347 20 0 FGADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000516045999 503437297 /nfs/dbraw/zinc/43/72/97/503437297.db2.gz GEUNPIUILIMTFZ-OKZBNKHCSA-N 2 1 370.946 3.014 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2nc(-c3ccncc3)cs2)s1 ZINC000512056532 503446075 /nfs/dbraw/zinc/44/60/75/503446075.db2.gz GZJQVLDXJITOJT-UHFFFAOYSA-N 2 1 359.524 3.056 20 0 FGADMP CCc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCN(CC)CC2)cn1 ZINC000512087111 503454152 /nfs/dbraw/zinc/45/41/52/503454152.db2.gz IHJGYIUWMYHUEC-UHFFFAOYSA-N 2 1 352.526 3.071 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165055 503460016 /nfs/dbraw/zinc/46/00/16/503460016.db2.gz SZFWDQPLZDDHOY-WIYYLYMNSA-N 2 1 372.557 3.434 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199875 503468995 /nfs/dbraw/zinc/46/89/95/503468995.db2.gz XSCOTVVIOLKSNP-BBRMVZONSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199875 503468999 /nfs/dbraw/zinc/46/89/99/503468999.db2.gz XSCOTVVIOLKSNP-BBRMVZONSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199875 503469002 /nfs/dbraw/zinc/46/90/02/503469002.db2.gz XSCOTVVIOLKSNP-BBRMVZONSA-N 2 1 372.294 3.453 20 0 FGADMP Cc1c2cccc(C)c2oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000516207879 503470805 /nfs/dbraw/zinc/47/08/05/503470805.db2.gz XCDHYXAQSJNSGZ-UHFFFAOYSA-N 2 1 364.449 3.449 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000493997547 503472775 /nfs/dbraw/zinc/47/27/75/503472775.db2.gz ADCCYHNPEJXDDB-UIFIKXQLSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000493997547 503472780 /nfs/dbraw/zinc/47/27/80/503472780.db2.gz ADCCYHNPEJXDDB-UIFIKXQLSA-N 2 1 351.494 3.069 20 0 FGADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092709 503486818 /nfs/dbraw/zinc/48/68/18/503486818.db2.gz RHMADVXKOJFCGV-IPMKNSEASA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494092709 503486820 /nfs/dbraw/zinc/48/68/20/503486820.db2.gz RHMADVXKOJFCGV-IPMKNSEASA-N 2 1 367.484 3.191 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(CC(F)(F)F)C(C)C)CC1 ZINC000512261444 503501378 /nfs/dbraw/zinc/50/13/78/503501378.db2.gz BCGGAHVJTRJDRM-UHFFFAOYSA-N 2 1 365.484 3.230 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(CC(F)(F)F)C(C)C)CC1 ZINC000512261444 503501382 /nfs/dbraw/zinc/50/13/82/503501382.db2.gz BCGGAHVJTRJDRM-UHFFFAOYSA-N 2 1 365.484 3.230 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441926 503512944 /nfs/dbraw/zinc/51/29/44/503512944.db2.gz HGTAHUJECYYYJL-IUODEOHRSA-N 2 1 350.304 3.403 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000516488609 503519185 /nfs/dbraw/zinc/51/91/85/503519185.db2.gz YAEDAAPEXXFKCT-PMPSAXMXSA-N 2 1 358.511 3.023 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@H](c2nccn2C)C1 ZINC000516488609 503519191 /nfs/dbraw/zinc/51/91/91/503519191.db2.gz YAEDAAPEXXFKCT-PMPSAXMXSA-N 2 1 358.511 3.023 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)[C@H](C)C(=O)N3CCCCC3)C2)s1 ZINC000516574247 503540514 /nfs/dbraw/zinc/54/05/14/503540514.db2.gz MKLZEZKJZVPNPA-MSOLQXFVSA-N 2 1 363.571 3.211 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCC[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423676 503545979 /nfs/dbraw/zinc/54/59/79/503545979.db2.gz JBSHAEHWHNHCDT-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423676 503545982 /nfs/dbraw/zinc/54/59/82/503545982.db2.gz JBSHAEHWHNHCDT-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423676 503545988 /nfs/dbraw/zinc/54/59/88/503545988.db2.gz JBSHAEHWHNHCDT-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702261 503547136 /nfs/dbraw/zinc/54/71/36/503547136.db2.gz VZWYJLQFLBFPFO-YMPZKCBVSA-N 2 1 373.585 3.234 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(=O)n1C ZINC000494530773 503558691 /nfs/dbraw/zinc/55/86/91/503558691.db2.gz XYAAGJGSRIYARZ-FDFHNCONSA-N 2 1 365.521 3.084 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000516683461 503567901 /nfs/dbraw/zinc/56/79/01/503567901.db2.gz JHDCUKZYSAIJLO-QRVBRYPASA-N 2 1 366.594 3.115 20 0 FGADMP C/C=C/c1ccc(OC[C@@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543065 503580051 /nfs/dbraw/zinc/58/00/51/503580051.db2.gz YXOAXMKONUTDEG-BVFYMXLQSA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C/c1ccc(OC[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000512543065 503580054 /nfs/dbraw/zinc/58/00/54/503580054.db2.gz YXOAXMKONUTDEG-BVFYMXLQSA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C/c1ccc(OC[C@@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000512543065 503580059 /nfs/dbraw/zinc/58/00/59/503580059.db2.gz YXOAXMKONUTDEG-BVFYMXLQSA-N 2 1 374.525 3.025 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000512811033 503637733 /nfs/dbraw/zinc/63/77/33/503637733.db2.gz BBMINLKYWHQKED-UHFFFAOYSA-N 2 1 370.537 3.442 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025132 503646889 /nfs/dbraw/zinc/64/68/89/503646889.db2.gz JEYCXCIWIUASOJ-UGKGYDQZSA-N 2 1 368.521 3.415 20 0 FGADMP Cc1ccc(-c2ncc(C[N@H+](C)CCCN(C)CC[NH+](C)C)s2)cc1 ZINC000517058125 503651505 /nfs/dbraw/zinc/65/15/05/503651505.db2.gz BITMIPGXHJGQAA-UHFFFAOYSA-N 2 1 360.571 3.434 20 0 FGADMP CCOc1c(Cl)cccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000495078322 503661903 /nfs/dbraw/zinc/66/19/03/503661903.db2.gz IXVLKHXQVCGPBK-UHFFFAOYSA-N 2 1 352.906 3.283 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659353 503665950 /nfs/dbraw/zinc/66/59/50/503665950.db2.gz YACMIPXDXYHNKR-CRAIPNDOSA-N 2 1 370.497 3.153 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659353 503665957 /nfs/dbraw/zinc/66/59/57/503665957.db2.gz YACMIPXDXYHNKR-CRAIPNDOSA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659353 503665962 /nfs/dbraw/zinc/66/59/62/503665962.db2.gz YACMIPXDXYHNKR-CRAIPNDOSA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C ZINC000536659353 503665969 /nfs/dbraw/zinc/66/59/69/503665969.db2.gz YACMIPXDXYHNKR-CRAIPNDOSA-N 2 1 370.497 3.153 20 0 FGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC000529703118 503667104 /nfs/dbraw/zinc/66/71/04/503667104.db2.gz WAXMGJHFXCLDAT-OAQYLSRUSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666707 503669324 /nfs/dbraw/zinc/66/93/24/503669324.db2.gz RTWUOPKHAQEDGO-RXVVDRJESA-N 2 1 371.569 3.248 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666707 503669327 /nfs/dbraw/zinc/66/93/27/503669327.db2.gz RTWUOPKHAQEDGO-RXVVDRJESA-N 2 1 371.569 3.248 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000495108951 503670294 /nfs/dbraw/zinc/67/02/94/503670294.db2.gz NNQJFHQEYZOHNB-IFMALSPDSA-N 2 1 352.526 3.383 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000495108951 503670300 /nfs/dbraw/zinc/67/03/00/503670300.db2.gz NNQJFHQEYZOHNB-IFMALSPDSA-N 2 1 352.526 3.383 20 0 FGADMP CC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CCN(c2cc[nH+]cc2)CC1 ZINC000529713981 503671974 /nfs/dbraw/zinc/67/19/74/503671974.db2.gz CALMUVOUUWQEGB-FQEVSTJZSA-N 2 1 370.541 3.211 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000536696332 503685007 /nfs/dbraw/zinc/68/50/07/503685007.db2.gz IQRCYVZJFPGLAP-OAQYLSRUSA-N 2 1 370.541 3.422 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000540146764 503688675 /nfs/dbraw/zinc/68/86/75/503688675.db2.gz KZFURICYIWOBRP-NNWRFLSQSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000540146764 503688681 /nfs/dbraw/zinc/68/86/81/503688681.db2.gz KZFURICYIWOBRP-NNWRFLSQSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000540146764 503688689 /nfs/dbraw/zinc/68/86/89/503688689.db2.gz KZFURICYIWOBRP-NNWRFLSQSA-N 2 1 358.574 3.392 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CC(=O)Nc2c(C)n[nH]c2C)CC1)CC(C)C ZINC000540196732 503704033 /nfs/dbraw/zinc/70/40/33/503704033.db2.gz SIEXZUHZUBXBOA-UHFFFAOYSA-N 2 1 363.550 3.045 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)Nc2c(C)n[nH]c2C)CC1)CC(C)C ZINC000540196732 503704041 /nfs/dbraw/zinc/70/40/41/503704041.db2.gz SIEXZUHZUBXBOA-UHFFFAOYSA-N 2 1 363.550 3.045 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000543287679 503711698 /nfs/dbraw/zinc/71/16/98/503711698.db2.gz KGQJJJPIYZALFT-MOPGFXCFSA-N 2 1 370.541 3.190 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299870 503716425 /nfs/dbraw/zinc/71/64/25/503716425.db2.gz FBGQNBITVBAZAK-SBHAEUEKSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245588 503723177 /nfs/dbraw/zinc/72/31/77/503723177.db2.gz YMUIHXZOHGEADV-FGTMMUONSA-N 2 1 364.505 3.477 20 0 FGADMP C[C@H](c1ccc(F)cc1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245588 503723180 /nfs/dbraw/zinc/72/31/80/503723180.db2.gz YMUIHXZOHGEADV-FGTMMUONSA-N 2 1 364.505 3.477 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CCC[C@H]2C2CC2)c1 ZINC000540258647 503727105 /nfs/dbraw/zinc/72/71/05/503727105.db2.gz IUCMXEBGSVQPSS-SFTDATJTSA-N 2 1 371.525 3.016 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000517472216 503751683 /nfs/dbraw/zinc/75/16/83/503751683.db2.gz WMQNOAPXHSJQIJ-IBGZPJMESA-N 2 1 358.530 3.178 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000543394234 503752280 /nfs/dbraw/zinc/75/22/80/503752280.db2.gz SYBJFIKWXJPSHW-UHFFFAOYSA-N 2 1 356.470 3.129 20 0 FGADMP CS[C@H](C)CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536908881 503758740 /nfs/dbraw/zinc/75/87/40/503758740.db2.gz HRSGXQBGGBIUGP-QGZVFWFLSA-N 2 1 369.619 3.173 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000517523949 503763942 /nfs/dbraw/zinc/76/39/42/503763942.db2.gz XURHYKQIJKSKNR-UHFFFAOYSA-N 2 1 364.287 3.021 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000517555933 503770384 /nfs/dbraw/zinc/77/03/84/503770384.db2.gz BUMLIELAFIRKMR-OIBXWCBGSA-N 2 1 352.522 3.480 20 0 FGADMP CN(CC[N@@H+](C)CCSc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000537019676 503778154 /nfs/dbraw/zinc/77/81/54/503778154.db2.gz LFTOUPVFBFUSHW-UHFFFAOYSA-N 2 1 355.979 3.390 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000517593264 503780709 /nfs/dbraw/zinc/78/07/09/503780709.db2.gz MEQMOPRQXGKARL-HOTGVXAUSA-N 2 1 366.575 3.161 20 0 FGADMP CCC1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000517607694 503784281 /nfs/dbraw/zinc/78/42/81/503784281.db2.gz ZHVZFTNGLLZBKG-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000533278601 503788065 /nfs/dbraw/zinc/78/80/65/503788065.db2.gz NJJRPDWBVDJKDP-OALUTQOASA-N 2 1 373.541 3.063 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000530026497 503800585 /nfs/dbraw/zinc/80/05/85/503800585.db2.gz JEYFMXZGNAGJEG-OAQYLSRUSA-N 2 1 355.526 3.419 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@H]3CCCOCC3)cc2)C[C@H]1C ZINC000546606317 503805968 /nfs/dbraw/zinc/80/59/68/503805968.db2.gz WSOJMKNHJXKCEB-ZVDOUQERSA-N 2 1 360.542 3.354 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000517705674 503813156 /nfs/dbraw/zinc/81/31/56/503813156.db2.gz SNQCYQWIOZTPNA-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000517705674 503813163 /nfs/dbraw/zinc/81/31/63/503813163.db2.gz SNQCYQWIOZTPNA-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000517705674 503813169 /nfs/dbraw/zinc/81/31/69/503813169.db2.gz SNQCYQWIOZTPNA-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000517705674 503813174 /nfs/dbraw/zinc/81/31/74/503813174.db2.gz SNQCYQWIOZTPNA-VAMGGRTRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)C2 ZINC000527512441 503819047 /nfs/dbraw/zinc/81/90/47/503819047.db2.gz HTWTYYPUQSTNEL-YLJYHZDGSA-N 2 1 366.509 3.153 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000527635107 503869625 /nfs/dbraw/zinc/86/96/25/503869625.db2.gz IDODZZYUPOFZCN-IFMALSPDSA-N 2 1 371.569 3.333 20 0 FGADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833097 503909294 /nfs/dbraw/zinc/90/92/94/503909294.db2.gz JYRGHSOROHGHQG-PKOBYXMFSA-N 2 1 358.530 3.172 20 0 FGADMP Cc1ccc(N[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000540833097 503909297 /nfs/dbraw/zinc/90/92/97/503909297.db2.gz JYRGHSOROHGHQG-PKOBYXMFSA-N 2 1 358.530 3.172 20 0 FGADMP C[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)COc2ccccc2O1 ZINC000527736555 503921340 /nfs/dbraw/zinc/92/13/40/503921340.db2.gz RVKVXLMIYZVUHN-JOCHJYFZSA-N 2 1 352.478 3.471 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCCC[C@H]12 ZINC000541112257 504012377 /nfs/dbraw/zinc/01/23/77/504012377.db2.gz XXQGPLSPYZDHIP-QIJUGHKUSA-N 2 1 369.553 3.409 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000541176452 504032485 /nfs/dbraw/zinc/03/24/85/504032485.db2.gz CAGGGPQRTNCIFJ-GHTZIAJQSA-N 2 1 370.541 3.314 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C/C=C/c2ccccc2F)CC1 ZINC000530685049 504052878 /nfs/dbraw/zinc/05/28/78/504052878.db2.gz XZGKBEVCWLPIQG-GQCTYLIASA-N 2 1 354.429 3.015 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000534220798 504075064 /nfs/dbraw/zinc/07/50/64/504075064.db2.gz SFZWEKFPQWSENA-GOSISDBHSA-N 2 1 366.465 3.222 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000534220798 504075067 /nfs/dbraw/zinc/07/50/67/504075067.db2.gz SFZWEKFPQWSENA-GOSISDBHSA-N 2 1 366.465 3.222 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H](c2cncc(F)c2)C2CC2)c2cccs2)CC1 ZINC000547394270 504089336 /nfs/dbraw/zinc/08/93/36/504089336.db2.gz LROJOJUNOGSVAR-QUCCMNQESA-N 2 1 374.529 3.312 20 0 FGADMP COc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000538098106 504133359 /nfs/dbraw/zinc/13/33/59/504133359.db2.gz AMIBHMKXAGCKQX-NQIIRXRSSA-N 2 1 373.541 3.104 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1)C1CC1 ZINC000534409054 504134614 /nfs/dbraw/zinc/13/46/14/504134614.db2.gz LBYUHHQSUXSPOS-OAQYLSRUSA-N 2 1 369.553 3.475 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538196417 504158850 /nfs/dbraw/zinc/15/88/50/504158850.db2.gz GDQJNQSHKNHCKT-UYAOXDASSA-N 2 1 372.557 3.023 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000541560933 504175692 /nfs/dbraw/zinc/17/56/92/504175692.db2.gz WNLXZYONASWCOH-HLNWXESRSA-N 2 1 359.558 3.426 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000541591208 504191081 /nfs/dbraw/zinc/19/10/81/504191081.db2.gz UWRVUIQVDDZFNC-GOSISDBHSA-N 2 1 368.949 3.440 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000519451445 504223904 /nfs/dbraw/zinc/22/39/04/504223904.db2.gz AUOQBHJRGCXOPA-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476294 504228920 /nfs/dbraw/zinc/22/89/20/504228920.db2.gz FBXVZQDNYZNILQ-DUXKGJEZSA-N 2 1 351.494 3.241 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476294 504228924 /nfs/dbraw/zinc/22/89/24/504228924.db2.gz FBXVZQDNYZNILQ-DUXKGJEZSA-N 2 1 351.494 3.241 20 0 FGADMP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481162 504230427 /nfs/dbraw/zinc/23/04/27/504230427.db2.gz DIOGDXRUSLZSAG-NQIIRXRSSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481162 504230431 /nfs/dbraw/zinc/23/04/31/504230431.db2.gz DIOGDXRUSLZSAG-NQIIRXRSSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000519481162 504230435 /nfs/dbraw/zinc/23/04/35/504230435.db2.gz DIOGDXRUSLZSAG-NQIIRXRSSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000519481162 504230438 /nfs/dbraw/zinc/23/04/38/504230438.db2.gz DIOGDXRUSLZSAG-NQIIRXRSSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481161 504230555 /nfs/dbraw/zinc/23/05/55/504230555.db2.gz DIOGDXRUSLZSAG-GHTZIAJQSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481161 504230557 /nfs/dbraw/zinc/23/05/57/504230557.db2.gz DIOGDXRUSLZSAG-GHTZIAJQSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000519481161 504230560 /nfs/dbraw/zinc/23/05/60/504230560.db2.gz DIOGDXRUSLZSAG-GHTZIAJQSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000519481161 504230563 /nfs/dbraw/zinc/23/05/63/504230563.db2.gz DIOGDXRUSLZSAG-GHTZIAJQSA-N 2 1 372.557 3.003 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)c3ccn(C)n3)CC2)cs1 ZINC000541735391 504238186 /nfs/dbraw/zinc/23/81/86/504238186.db2.gz YCWKCHBEVBGFCU-KRWDZBQOSA-N 2 1 361.559 3.392 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000531246352 504241716 /nfs/dbraw/zinc/24/17/16/504241716.db2.gz QBXPCVGZZPYFAB-RBUKOAKNSA-N 2 1 360.546 3.023 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000519571460 504257608 /nfs/dbraw/zinc/25/76/08/504257608.db2.gz QNUVHAPCVSKBKD-WIYYLYMNSA-N 2 1 374.573 3.217 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000519676053 504297900 /nfs/dbraw/zinc/29/79/00/504297900.db2.gz AXXDFXMHNGJWIA-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528652071 504314336 /nfs/dbraw/zinc/31/43/36/504314336.db2.gz RYZFEAMOIKQBSE-ZHHKINOHSA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528652071 504314340 /nfs/dbraw/zinc/31/43/40/504314340.db2.gz RYZFEAMOIKQBSE-ZHHKINOHSA-N 2 1 371.569 3.476 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528652071 504314343 /nfs/dbraw/zinc/31/43/43/504314343.db2.gz RYZFEAMOIKQBSE-ZHHKINOHSA-N 2 1 371.569 3.476 20 0 FGADMP CC1(C)[C@@H](c2cccc(F)c2)CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528764076 504369840 /nfs/dbraw/zinc/36/98/40/504369840.db2.gz CKYFQTAKXKMJDV-HXUWFJFHSA-N 2 1 373.516 3.137 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796304 504374439 /nfs/dbraw/zinc/37/44/39/504374439.db2.gz ZGGOHLVLIJTINI-HYVNUMGLSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796304 504374443 /nfs/dbraw/zinc/37/44/43/504374443.db2.gz ZGGOHLVLIJTINI-HYVNUMGLSA-N 2 1 358.404 3.269 20 0 FGADMP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1OC ZINC000519907068 504380305 /nfs/dbraw/zinc/38/03/05/504380305.db2.gz IPLOFDYZHKLKAX-KRWDZBQOSA-N 2 1 373.541 3.211 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1OC ZINC000519907068 504380306 /nfs/dbraw/zinc/38/03/06/504380306.db2.gz IPLOFDYZHKLKAX-KRWDZBQOSA-N 2 1 373.541 3.211 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000528808537 504393279 /nfs/dbraw/zinc/39/32/79/504393279.db2.gz OUVQEFMJNDLYSK-LSBZLQRGSA-N 2 1 361.917 3.046 20 0 FGADMP O[C@H](C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1)C[NH+]1CCCC1 ZINC000531701900 504396798 /nfs/dbraw/zinc/39/67/98/504396798.db2.gz MJHUBMIILGNUPE-NHCUHLMSSA-N 2 1 360.448 3.295 20 0 FGADMP COc1cccc(C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000531701760 504397231 /nfs/dbraw/zinc/39/72/31/504397231.db2.gz PTFZOYFCJSZIAD-IRLDBZIGSA-N 2 1 354.494 3.025 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725008 504405107 /nfs/dbraw/zinc/40/51/07/504405107.db2.gz SOWNBKZHRXKNEW-WWGRRREGSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725008 504405110 /nfs/dbraw/zinc/40/51/10/504405110.db2.gz SOWNBKZHRXKNEW-WWGRRREGSA-N 2 1 357.420 3.495 20 0 FGADMP CC[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000520122604 504416110 /nfs/dbraw/zinc/41/61/10/504416110.db2.gz DCVAVULKGOMZHC-YADHBBJMSA-N 2 1 365.521 3.242 20 0 FGADMP CC[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000520122604 504416117 /nfs/dbraw/zinc/41/61/17/504416117.db2.gz DCVAVULKGOMZHC-YADHBBJMSA-N 2 1 365.521 3.242 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000520200335 504433838 /nfs/dbraw/zinc/43/38/38/504433838.db2.gz MKIHXSCRQHZAIJ-OALUTQOASA-N 2 1 366.594 3.260 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CC1 ZINC000520318102 504465038 /nfs/dbraw/zinc/46/50/38/504465038.db2.gz ODAKIEGHJIVMEE-IRXDYDNUSA-N 2 1 370.884 3.229 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1[C@H]1C[C@@H]1c1ccccc1 ZINC000539085966 504468477 /nfs/dbraw/zinc/46/84/77/504468477.db2.gz AUNPHWYKJJVTEC-NNWRFLSQSA-N 2 1 367.537 3.140 20 0 FGADMP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CCC1 ZINC000535581892 504477408 /nfs/dbraw/zinc/47/74/08/504477408.db2.gz BGHIPSKCCVMEBE-LJQANCHMSA-N 2 1 363.933 3.325 20 0 FGADMP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CCC1 ZINC000535581892 504477415 /nfs/dbraw/zinc/47/74/15/504477415.db2.gz BGHIPSKCCVMEBE-LJQANCHMSA-N 2 1 363.933 3.325 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996426 504487676 /nfs/dbraw/zinc/48/76/76/504487676.db2.gz OVXWYMQXHUGRKO-KXBFYZLASA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996426 504487681 /nfs/dbraw/zinc/48/76/81/504487681.db2.gz OVXWYMQXHUGRKO-KXBFYZLASA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000528996426 504487684 /nfs/dbraw/zinc/48/76/84/504487684.db2.gz OVXWYMQXHUGRKO-KXBFYZLASA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000528996426 504487690 /nfs/dbraw/zinc/48/76/90/504487690.db2.gz OVXWYMQXHUGRKO-KXBFYZLASA-N 2 1 361.917 3.071 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000520427070 504496920 /nfs/dbraw/zinc/49/69/20/504496920.db2.gz ZVSGZDNORKKLCH-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP NC(=O)[C@H](c1ccccc1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535673537 504503726 /nfs/dbraw/zinc/50/37/26/504503726.db2.gz AMVOGJKBAZGKQH-NRFANRHFSA-N 2 1 363.505 3.201 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3c2cccc3F)c2cccs2)CC1 ZINC000532187798 504566966 /nfs/dbraw/zinc/56/69/66/504566966.db2.gz FPOBLEQCRQWWHQ-RTBURBONSA-N 2 1 359.514 3.453 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000532214245 504575246 /nfs/dbraw/zinc/57/52/46/504575246.db2.gz ARPDSLFWYQDBEE-PMACEKPBSA-N 2 1 370.566 3.407 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532446880 504654520 /nfs/dbraw/zinc/65/45/20/504654520.db2.gz MTLTYWXETAGPGI-AYOQOUSVSA-N 2 1 363.933 3.293 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](CC(C)C)C2CC2)CC1 ZINC000532493938 504669448 /nfs/dbraw/zinc/66/94/48/504669448.db2.gz UFAMISOLVJBYIM-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)C23CC4CC(CC(C4)C2)C3)C1 ZINC000532568400 504695011 /nfs/dbraw/zinc/69/50/11/504695011.db2.gz KTPGLTKWHKAGOZ-QPCUBCJCSA-N 2 1 362.558 3.205 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137512 504698873 /nfs/dbraw/zinc/69/88/73/504698873.db2.gz UOXGJSFIGGKZRQ-MOPGFXCFSA-N 2 1 354.922 3.460 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H](C[NH+](C)C)C1 ZINC000549175937 504713848 /nfs/dbraw/zinc/71/38/48/504713848.db2.gz LMJRLOMMYGPNRT-MRXNPFEDSA-N 2 1 355.482 3.416 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486018 504746048 /nfs/dbraw/zinc/74/60/48/504746048.db2.gz HHJHZWGTKBFCRJ-CTNGQTDRSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H]3CCc4ccccc43)CC2)CC1 ZINC000552917755 504787195 /nfs/dbraw/zinc/78/71/95/504787195.db2.gz ITXGGDQIAPNTEB-JOCHJYFZSA-N 2 1 369.553 3.329 20 0 FGADMP CCn1nccc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348765 504797677 /nfs/dbraw/zinc/79/76/77/504797677.db2.gz NHBYSFMUYAVYSC-UNMCSNQZSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000549348765 504797682 /nfs/dbraw/zinc/79/76/82/504797682.db2.gz NHBYSFMUYAVYSC-UNMCSNQZSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000549348765 504797685 /nfs/dbraw/zinc/79/76/85/504797685.db2.gz NHBYSFMUYAVYSC-UNMCSNQZSA-N 2 1 352.526 3.432 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000549348765 504797689 /nfs/dbraw/zinc/79/76/89/504797689.db2.gz NHBYSFMUYAVYSC-UNMCSNQZSA-N 2 1 352.526 3.432 20 0 FGADMP Cc1nocc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326972 504835325 /nfs/dbraw/zinc/83/53/25/504835325.db2.gz UXRHSBHZAYUUAV-HXUWFJFHSA-N 2 1 355.482 3.001 20 0 FGADMP Cc1nocc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000559326972 504835327 /nfs/dbraw/zinc/83/53/27/504835327.db2.gz UXRHSBHZAYUUAV-HXUWFJFHSA-N 2 1 355.482 3.001 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000553169928 504842650 /nfs/dbraw/zinc/84/26/50/504842650.db2.gz IPCRZVVUHGMTHP-GIVPXCGWSA-N 2 1 355.526 3.126 20 0 FGADMP O=C(C[N@H+]1CC[C@H](CC2CC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000559410798 504855724 /nfs/dbraw/zinc/85/57/24/504855724.db2.gz IMHZBVNDODHGCL-OAQYLSRUSA-N 2 1 355.526 3.021 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000565366308 504866910 /nfs/dbraw/zinc/86/69/10/504866910.db2.gz ARXIQYQRZYBOOC-HZEGPAAWSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000565395757 504874183 /nfs/dbraw/zinc/87/41/83/504874183.db2.gz HYFWPWCBIKTNPH-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000565395757 504874187 /nfs/dbraw/zinc/87/41/87/504874187.db2.gz HYFWPWCBIKTNPH-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351288 504891354 /nfs/dbraw/zinc/89/13/54/504891354.db2.gz HJXXDBHOESASQK-TZIWHRDSSA-N 2 1 369.484 3.067 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559741801 504920386 /nfs/dbraw/zinc/92/03/86/504920386.db2.gz WTMVUWYDOONUHS-BVYCBKJFSA-N 2 1 356.485 3.402 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559741801 504920392 /nfs/dbraw/zinc/92/03/92/504920392.db2.gz WTMVUWYDOONUHS-BVYCBKJFSA-N 2 1 356.485 3.402 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559743769 504920962 /nfs/dbraw/zinc/92/09/62/504920962.db2.gz UTVDMPDNXGCALB-SFTDATJTSA-N 2 1 357.542 3.449 20 0 FGADMP CC(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000559743769 504920965 /nfs/dbraw/zinc/92/09/65/504920965.db2.gz UTVDMPDNXGCALB-SFTDATJTSA-N 2 1 357.542 3.449 20 0 FGADMP CCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc1 ZINC000549866112 504921859 /nfs/dbraw/zinc/92/18/59/504921859.db2.gz MKDQVNRQSBPARN-UHFFFAOYSA-N 2 1 358.574 3.272 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559767050 504924666 /nfs/dbraw/zinc/92/46/66/504924666.db2.gz NIPVZZPUUVZRIX-AZUAARDMSA-N 2 1 350.934 3.488 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+]1CCC(C)(C)C1 ZINC000553497587 504932398 /nfs/dbraw/zinc/93/23/98/504932398.db2.gz DSNYYTQECHDNCC-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000553497587 504932403 /nfs/dbraw/zinc/93/24/03/504932403.db2.gz DSNYYTQECHDNCC-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000553497587 504932407 /nfs/dbraw/zinc/93/24/07/504932407.db2.gz DSNYYTQECHDNCC-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3C=CCCCCC3)CC2)C[C@@H](C)O1 ZINC000549928609 504937269 /nfs/dbraw/zinc/93/72/69/504937269.db2.gz VQEXTNQUXPZQDT-AQNXPRMDSA-N 2 1 350.547 3.466 20 0 FGADMP C[C@@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCC[N@H+]1Cc1ccccc1 ZINC000562772533 504940195 /nfs/dbraw/zinc/94/01/95/504940195.db2.gz GHPDIABZNOXQRX-QFIPXVFZSA-N 2 1 364.493 3.466 20 0 FGADMP CC[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000550128115 504972925 /nfs/dbraw/zinc/97/29/25/504972925.db2.gz YJWSTJTYIUAJGZ-VXKWHMMOSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128115 504972927 /nfs/dbraw/zinc/97/29/27/504972927.db2.gz YJWSTJTYIUAJGZ-VXKWHMMOSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128115 504972931 /nfs/dbraw/zinc/97/29/31/504972931.db2.gz YJWSTJTYIUAJGZ-VXKWHMMOSA-N 2 1 365.521 3.288 20 0 FGADMP COc1ccc2oc(C[NH2+]Cc3ccncc3OCC[NH+](C)C)cc2c1 ZINC000562890704 504977704 /nfs/dbraw/zinc/97/77/04/504977704.db2.gz AAJDKYYQJPOECO-UHFFFAOYSA-N 2 1 355.438 3.067 20 0 FGADMP C[C@@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556832974 504989329 /nfs/dbraw/zinc/98/93/29/504989329.db2.gz NYUSEJZVEBFLCZ-KSZLIROESA-N 2 1 366.509 3.145 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000565833081 505001345 /nfs/dbraw/zinc/00/13/45/505001345.db2.gz KMDBPPAQGHTKAH-VXKWHMMOSA-N 2 1 350.506 3.377 20 0 FGADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccccc1 ZINC000565833081 505001348 /nfs/dbraw/zinc/00/13/48/505001348.db2.gz KMDBPPAQGHTKAH-VXKWHMMOSA-N 2 1 350.506 3.377 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987325 505010725 /nfs/dbraw/zinc/01/07/25/505010725.db2.gz GTMBCVTXSZYRSR-PGRDOPGGSA-N 2 1 366.505 3.167 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556909922 505014884 /nfs/dbraw/zinc/01/48/84/505014884.db2.gz MVZBEXHCKFLOOO-DOIPELPJSA-N 2 1 350.510 3.371 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000556909922 505014888 /nfs/dbraw/zinc/01/48/88/505014888.db2.gz MVZBEXHCKFLOOO-DOIPELPJSA-N 2 1 350.510 3.371 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1N(C)C ZINC000556938374 505024182 /nfs/dbraw/zinc/02/41/82/505024182.db2.gz POUXUEVFROCDRN-FXAWDEMLSA-N 2 1 372.582 3.453 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917897 505026197 /nfs/dbraw/zinc/02/61/97/505026197.db2.gz STNUCDRWWKZETB-KBPBESRZSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917897 505026201 /nfs/dbraw/zinc/02/62/01/505026201.db2.gz STNUCDRWWKZETB-KBPBESRZSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917897 505026206 /nfs/dbraw/zinc/02/62/06/505026206.db2.gz STNUCDRWWKZETB-KBPBESRZSA-N 2 1 350.450 3.124 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nsc2ccc(C)cc21 ZINC000550387849 505031654 /nfs/dbraw/zinc/03/16/54/505031654.db2.gz USWDGOCQXQEHRB-INIZCTEOSA-N 2 1 374.554 3.093 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000556967599 505033466 /nfs/dbraw/zinc/03/34/66/505033466.db2.gz MTQWMHVEBWOXGJ-XZOQPEGZSA-N 2 1 369.553 3.362 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)CC1 ZINC000556967599 505033470 /nfs/dbraw/zinc/03/34/70/505033470.db2.gz MTQWMHVEBWOXGJ-XZOQPEGZSA-N 2 1 369.553 3.362 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135149 505057546 /nfs/dbraw/zinc/05/75/46/505057546.db2.gz HTFGTUXNZVENKK-CVEARBPZSA-N 2 1 372.431 3.458 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Oc3ccccc3)cc2)CC[N@H+]1C ZINC000566063610 505069944 /nfs/dbraw/zinc/06/99/44/505069944.db2.gz DUPKJRPKNOKMBW-QRVBRYPASA-N 2 1 370.493 3.291 20 0 FGADMP CCC[N@H+](C[C@H]1CCCC[C@@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218071 505078834 /nfs/dbraw/zinc/07/88/34/505078834.db2.gz VSXKKGNYWMHPQD-QUCCMNQESA-N 2 1 360.546 3.325 20 0 FGADMP CCC[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218071 505078838 /nfs/dbraw/zinc/07/88/38/505078838.db2.gz VSXKKGNYWMHPQD-QUCCMNQESA-N 2 1 360.546 3.325 20 0 FGADMP O[C@@H]1C[C@@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000557272595 505102840 /nfs/dbraw/zinc/10/28/40/505102840.db2.gz BHZVYALTZFRRTD-XZOQPEGZSA-N 2 1 371.569 3.009 20 0 FGADMP O[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000557272595 505102845 /nfs/dbraw/zinc/10/28/45/505102845.db2.gz BHZVYALTZFRRTD-XZOQPEGZSA-N 2 1 371.569 3.009 20 0 FGADMP C[N@H+]1CC[C@H](N[C@H]2CC(=O)N(c3ccccc3F)C2)C[C@@H]1c1ccccc1 ZINC000550823217 505109478 /nfs/dbraw/zinc/10/94/78/505109478.db2.gz JYCYAPXQJGRNON-BBTUJRGHSA-N 2 1 367.468 3.356 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000550830902 505111004 /nfs/dbraw/zinc/11/10/04/505111004.db2.gz LRANWQWCCWORNA-VXSCBNMQSA-N 2 1 371.569 3.429 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000550837493 505112388 /nfs/dbraw/zinc/11/23/88/505112388.db2.gz YOCHGRWDPQHJBA-ZIBCJSCZSA-N 2 1 357.542 3.324 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CCO)C2CCOCC2)CC1 ZINC000560548011 505122992 /nfs/dbraw/zinc/12/29/92/505122992.db2.gz BVUBFBBPMOFFSE-LZBANZJXSA-N 2 1 360.542 3.197 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccnc3OC(C)C)CC2)CC1 ZINC000563377082 505125824 /nfs/dbraw/zinc/12/58/24/505125824.db2.gz MPVKHTYYVVPMGF-UHFFFAOYSA-N 2 1 374.529 3.004 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419539 505129642 /nfs/dbraw/zinc/12/96/42/505129642.db2.gz MMMHXKGDLLUOIA-FPOVZHCZSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557419539 505129645 /nfs/dbraw/zinc/12/96/45/505129645.db2.gz MMMHXKGDLLUOIA-FPOVZHCZSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557419539 505129646 /nfs/dbraw/zinc/12/96/46/505129646.db2.gz MMMHXKGDLLUOIA-FPOVZHCZSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460187 505140922 /nfs/dbraw/zinc/14/09/22/505140922.db2.gz UAYLCCBDSJEBIY-SCTDSRPQSA-N 2 1 355.482 3.100 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460187 505140925 /nfs/dbraw/zinc/14/09/25/505140925.db2.gz UAYLCCBDSJEBIY-SCTDSRPQSA-N 2 1 355.482 3.100 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551050140 505148303 /nfs/dbraw/zinc/14/83/03/505148303.db2.gz FSCDXQWLVWYBMM-MHTWAQMVSA-N 2 1 357.542 3.495 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551050140 505148304 /nfs/dbraw/zinc/14/83/04/505148304.db2.gz FSCDXQWLVWYBMM-MHTWAQMVSA-N 2 1 357.542 3.495 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000554386829 505162622 /nfs/dbraw/zinc/16/26/22/505162622.db2.gz GXMKMVMZFOMQGD-GOSISDBHSA-N 2 1 370.522 3.438 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CC3Cc4ccccc4C3)c2)CCO1 ZINC000557548697 505164370 /nfs/dbraw/zinc/16/43/70/505164370.db2.gz SCJYEGYNGNNPJJ-GOSISDBHSA-N 2 1 350.506 3.412 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3Cc4ccccc4C3)c2)CCO1 ZINC000557548697 505164374 /nfs/dbraw/zinc/16/43/74/505164374.db2.gz SCJYEGYNGNNPJJ-GOSISDBHSA-N 2 1 350.506 3.412 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557563430 505168899 /nfs/dbraw/zinc/16/88/99/505168899.db2.gz MUCOCFCKHIZUKB-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557563430 505168902 /nfs/dbraw/zinc/16/89/02/505168902.db2.gz MUCOCFCKHIZUKB-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557563430 505168905 /nfs/dbraw/zinc/16/89/05/505168905.db2.gz MUCOCFCKHIZUKB-ICSRJNTNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000563581354 505183282 /nfs/dbraw/zinc/18/32/82/505183282.db2.gz OSXGBGGJAXTGDT-DFGXFYAUSA-N 2 1 364.559 3.042 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000563618654 505194246 /nfs/dbraw/zinc/19/42/46/505194246.db2.gz ZOFZWFWICAFZME-ZWKOTPCHSA-N 2 1 368.949 3.346 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667927 505205478 /nfs/dbraw/zinc/20/54/78/505205478.db2.gz XPUVHELGCLNZPH-FUHWJXTLSA-N 2 1 355.482 3.017 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccn(-c4ccc(Cl)cc4)n3)CC2)C1 ZINC000563669530 505206482 /nfs/dbraw/zinc/20/64/82/505206482.db2.gz GWUNKLJDZNPPAI-XLIONFOSSA-N 2 1 374.916 3.244 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557853185 505245992 /nfs/dbraw/zinc/24/59/92/505245992.db2.gz YFOISFJQUJZIKA-IPMKNSEASA-N 2 1 364.578 3.155 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNCc2ccc(C(=O)OC)cc2Br)C1 ZINC000551547678 505250275 /nfs/dbraw/zinc/25/02/75/505250275.db2.gz SYPBZNJTLCWDGW-ZDUSSCGKSA-N 2 1 369.303 3.057 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2c(F)cccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000563827618 505250602 /nfs/dbraw/zinc/25/06/02/505250602.db2.gz DTSYLZLVYXKSQW-WXRFYESLSA-N 2 1 354.897 3.093 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000563896815 505269421 /nfs/dbraw/zinc/26/94/21/505269421.db2.gz IAOTWBOWBZYWCE-NRFANRHFSA-N 2 1 357.542 3.318 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000551805565 505313113 /nfs/dbraw/zinc/31/31/13/505313113.db2.gz VFELRUHEKLPCLV-TZYHBYERSA-N 2 1 367.537 3.408 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000551805565 505313114 /nfs/dbraw/zinc/31/31/14/505313114.db2.gz VFELRUHEKLPCLV-TZYHBYERSA-N 2 1 367.537 3.408 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000551806645 505314344 /nfs/dbraw/zinc/31/43/44/505314344.db2.gz UWIKGVQIAUQORM-JTHBVZDNSA-N 2 1 367.537 3.205 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000551806643 505314436 /nfs/dbraw/zinc/31/44/36/505314436.db2.gz UWIKGVQIAUQORM-GGAORHGYSA-N 2 1 367.537 3.205 20 0 FGADMP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252370 505344774 /nfs/dbraw/zinc/34/47/74/505344774.db2.gz LCGVDDOCYLVFNR-VXKWHMMOSA-N 2 1 355.501 3.335 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)c1ccccc1 ZINC000561459956 505351433 /nfs/dbraw/zinc/35/14/33/505351433.db2.gz TURUHXKOBSTQHY-FQEVSTJZSA-N 2 1 357.498 3.253 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)c1ccccc1 ZINC000561459956 505351437 /nfs/dbraw/zinc/35/14/37/505351437.db2.gz TURUHXKOBSTQHY-FQEVSTJZSA-N 2 1 357.498 3.253 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)c1ccccc1 ZINC000561459956 505351440 /nfs/dbraw/zinc/35/14/40/505351440.db2.gz TURUHXKOBSTQHY-FQEVSTJZSA-N 2 1 357.498 3.253 20 0 FGADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000561506532 505363333 /nfs/dbraw/zinc/36/33/33/505363333.db2.gz ZMDNCHZRCRSAHD-ZSYWTGECSA-N 2 1 364.578 3.011 20 0 FGADMP Clc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCCO2 ZINC000564372609 505398962 /nfs/dbraw/zinc/39/89/62/505398962.db2.gz QNEJGGGACVZIDO-UHFFFAOYSA-N 2 1 350.890 3.419 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(Cl)c1OC ZINC000567223694 505399561 /nfs/dbraw/zinc/39/95/61/505399561.db2.gz UVBSTLFQXXJXTB-OAGGEKHMSA-N 2 1 352.906 3.362 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000567223066 505400043 /nfs/dbraw/zinc/40/00/43/505400043.db2.gz XWUYOCUTCYYUPZ-FQEVSTJZSA-N 2 1 360.546 3.228 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2conc2Cc2ccccc2)C[C@H](C)O1 ZINC000555530027 505447096 /nfs/dbraw/zinc/44/70/96/505447096.db2.gz JSWZCJOOXKIIHS-HDICACEKSA-N 2 1 357.498 3.244 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccc2ccccc21 ZINC000567386874 505448231 /nfs/dbraw/zinc/44/82/31/505448231.db2.gz LKGLIEQXQBOPSW-QGZVKYPTSA-N 2 1 365.521 3.337 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(NC(=O)CC[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000555546733 505452977 /nfs/dbraw/zinc/45/29/77/505452977.db2.gz FOFRUQFGZWYRJX-IBGZPJMESA-N 2 1 372.557 3.027 20 0 FGADMP CC[C@@H](C(=O)NCC[NH+]1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000555549132 505454071 /nfs/dbraw/zinc/45/40/71/505454071.db2.gz XZCRSKXGNCDJRI-QFIPXVFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[C@@H](C(=O)NCC[NH+]1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000555549132 505454073 /nfs/dbraw/zinc/45/40/73/505454073.db2.gz XZCRSKXGNCDJRI-QFIPXVFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000555549132 505454075 /nfs/dbraw/zinc/45/40/75/505454075.db2.gz XZCRSKXGNCDJRI-QFIPXVFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[C@@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000555549132 505454077 /nfs/dbraw/zinc/45/40/77/505454077.db2.gz XZCRSKXGNCDJRI-QFIPXVFZSA-N 2 1 365.521 3.072 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000567410586 505454864 /nfs/dbraw/zinc/45/48/64/505454864.db2.gz XDJVCJDKXICNTF-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000567410586 505454866 /nfs/dbraw/zinc/45/48/66/505454866.db2.gz XDJVCJDKXICNTF-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000567410586 505454868 /nfs/dbraw/zinc/45/48/68/505454868.db2.gz XDJVCJDKXICNTF-ZVDOUQERSA-N 2 1 374.573 3.317 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(C)(F)F)cc2)CC1 ZINC000567444495 505464453 /nfs/dbraw/zinc/46/44/53/505464453.db2.gz XIPQJVVFPKXJMC-UHFFFAOYSA-N 2 1 360.408 3.197 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000555598433 505469287 /nfs/dbraw/zinc/46/92/87/505469287.db2.gz UARKHYRBWWTCJB-NJNPRVFISA-N 2 1 357.542 3.232 20 0 FGADMP COC(=O)c1cc(CNC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cn1C ZINC000561949291 505475593 /nfs/dbraw/zinc/47/55/93/505475593.db2.gz RIFSNVUBVJEMSV-FQEVSTJZSA-N 2 1 355.482 3.047 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000555697067 505492583 /nfs/dbraw/zinc/49/25/83/505492583.db2.gz ROMZVGYONURQFT-WIYYLYMNSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546557 505494695 /nfs/dbraw/zinc/49/46/95/505494695.db2.gz VJWQICRNKUCMBX-HKUYNNGSSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546557 505494700 /nfs/dbraw/zinc/49/47/00/505494700.db2.gz VJWQICRNKUCMBX-HKUYNNGSSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546557 505494706 /nfs/dbraw/zinc/49/47/06/505494706.db2.gz VJWQICRNKUCMBX-HKUYNNGSSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546557 505494709 /nfs/dbraw/zinc/49/47/09/505494709.db2.gz VJWQICRNKUCMBX-HKUYNNGSSA-N 2 1 363.571 3.210 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040310 505498889 /nfs/dbraw/zinc/49/88/89/505498889.db2.gz ZBQGHISZNVLIAM-HOCLYGCPSA-N 2 1 364.452 3.110 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@H]21 ZINC000564728493 505504630 /nfs/dbraw/zinc/50/46/30/505504630.db2.gz BLPIOGNIOLNHQZ-NWANDNLSSA-N 2 1 366.387 3.315 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc(-c4cccc(C(F)(F)F)c4)no3)C[C@H]21 ZINC000564728493 505504634 /nfs/dbraw/zinc/50/46/34/505504634.db2.gz BLPIOGNIOLNHQZ-NWANDNLSSA-N 2 1 366.387 3.315 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]CC2Cc3ccccc3C2)c2cccs2)CC1 ZINC000562201083 505538459 /nfs/dbraw/zinc/53/84/59/505538459.db2.gz AOBQMWYRSRXXQF-HXUWFJFHSA-N 2 1 355.551 3.041 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000567731121 505551900 /nfs/dbraw/zinc/55/19/00/505551900.db2.gz CRZQUJBKABELLU-VAMGGRTRSA-N 2 1 373.541 3.113 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000567731121 505551901 /nfs/dbraw/zinc/55/19/01/505551901.db2.gz CRZQUJBKABELLU-VAMGGRTRSA-N 2 1 373.541 3.113 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000564993310 505566241 /nfs/dbraw/zinc/56/62/41/505566241.db2.gz SHQJHTKSGAMLOL-GNXKAVGDSA-N 2 1 369.553 3.407 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324518 506413649 /nfs/dbraw/zinc/41/36/49/506413649.db2.gz ZTMVHRXTRFBCQY-AVRDEDQJSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)[NH+](C)C)cc1 ZINC000599324518 506413656 /nfs/dbraw/zinc/41/36/56/506413656.db2.gz ZTMVHRXTRFBCQY-AVRDEDQJSA-N 2 1 365.521 3.161 20 0 FGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596649166 506509637 /nfs/dbraw/zinc/50/96/37/506509637.db2.gz CCZMBULWJIPETG-RNCFNFMXSA-N 2 1 364.658 3.162 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000582958699 506510491 /nfs/dbraw/zinc/51/04/91/506510491.db2.gz SFFMGTZKZASVOS-IMJJTQAJSA-N 2 1 355.404 3.060 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000583197693 506645107 /nfs/dbraw/zinc/64/51/07/506645107.db2.gz COBRWHNJIZWGIX-GLOJMNGXSA-N 2 1 369.553 3.311 20 0 FGADMP CC[N@@H+](CC(=O)Nc1cc(F)ccc1F)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999455 506701721 /nfs/dbraw/zinc/70/17/21/506701721.db2.gz JNBDEFORRVCGSH-UHFFFAOYSA-N 2 1 361.436 3.487 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000604631948 506896831 /nfs/dbraw/zinc/89/68/31/506896831.db2.gz JQOVXGNYXADFKW-IBGZPJMESA-N 2 1 364.578 3.158 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000594288801 507064628 /nfs/dbraw/zinc/06/46/28/507064628.db2.gz VOXAWLXOIUFPFO-FQEVSTJZSA-N 2 1 364.578 3.301 20 0 FGADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2o1 ZINC000600720223 507081836 /nfs/dbraw/zinc/08/18/36/507081836.db2.gz GAPNIZMNPKOCEP-KGLIPLIRSA-N 2 1 370.371 3.179 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C(F)(F)F)[C@H](C[NH3+])C3)ccc2o1 ZINC000600720223 507081843 /nfs/dbraw/zinc/08/18/43/507081843.db2.gz GAPNIZMNPKOCEP-KGLIPLIRSA-N 2 1 370.371 3.179 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104389 507117435 /nfs/dbraw/zinc/11/74/35/507117435.db2.gz DGKZBFQLMSWMCV-PKOBYXMFSA-N 2 1 373.472 3.050 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104389 507117440 /nfs/dbraw/zinc/11/74/40/507117440.db2.gz DGKZBFQLMSWMCV-PKOBYXMFSA-N 2 1 373.472 3.050 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000584061976 507132348 /nfs/dbraw/zinc/13/23/48/507132348.db2.gz AMJJBUANNYCXNJ-HXUWFJFHSA-N 2 1 369.509 3.082 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584061976 507132353 /nfs/dbraw/zinc/13/23/53/507132353.db2.gz AMJJBUANNYCXNJ-HXUWFJFHSA-N 2 1 369.509 3.082 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000584061976 507132356 /nfs/dbraw/zinc/13/23/56/507132356.db2.gz AMJJBUANNYCXNJ-HXUWFJFHSA-N 2 1 369.509 3.082 20 0 FGADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154645 507135754 /nfs/dbraw/zinc/13/57/54/507135754.db2.gz QPWIYKBCSWMTGB-SESVDKBCSA-N 2 1 357.542 3.449 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859698 507150355 /nfs/dbraw/zinc/15/03/55/507150355.db2.gz MXYFRQOYDNIDMX-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859698 507150363 /nfs/dbraw/zinc/15/03/63/507150363.db2.gz MXYFRQOYDNIDMX-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859698 507150370 /nfs/dbraw/zinc/15/03/70/507150370.db2.gz MXYFRQOYDNIDMX-LEWJYISDSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000605340119 507153022 /nfs/dbraw/zinc/15/30/22/507153022.db2.gz MHXDUAYNMQJGAH-OALUTQOASA-N 2 1 374.529 3.156 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000605339825 507153749 /nfs/dbraw/zinc/15/37/49/507153749.db2.gz QMJCUSWCLSNLCC-PMACEKPBSA-N 2 1 374.529 3.156 20 0 FGADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000594516833 507166164 /nfs/dbraw/zinc/16/61/64/507166164.db2.gz FYWBTGJDQXDDSM-PKOBYXMFSA-N 2 1 368.562 3.223 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000613662818 507206059 /nfs/dbraw/zinc/20/60/59/507206059.db2.gz HXTWERPGBXQANF-QXAKKESOSA-N 2 1 358.530 3.092 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594734550 507259611 /nfs/dbraw/zinc/25/96/11/507259611.db2.gz AYCVBVNWGGDZBU-MRXNPFEDSA-N 2 1 350.890 3.338 20 0 FGADMP CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000591473427 507264149 /nfs/dbraw/zinc/26/41/49/507264149.db2.gz UJEZFDDLYTXJCC-IBGZPJMESA-N 2 1 374.525 3.074 20 0 FGADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000591473427 507264159 /nfs/dbraw/zinc/26/41/59/507264159.db2.gz UJEZFDDLYTXJCC-IBGZPJMESA-N 2 1 374.525 3.074 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000605963992 507313403 /nfs/dbraw/zinc/31/34/03/507313403.db2.gz VVMCJQWDZSREDM-PMACEKPBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000605963992 507313410 /nfs/dbraw/zinc/31/34/10/507313410.db2.gz VVMCJQWDZSREDM-PMACEKPBSA-N 2 1 372.557 3.023 20 0 FGADMP COC(=O)CC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000591656129 507324608 /nfs/dbraw/zinc/32/46/08/507324608.db2.gz KTELFVMBLCATCA-SSXNTNPLSA-N 2 1 356.510 3.218 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584409187 507329797 /nfs/dbraw/zinc/32/97/97/507329797.db2.gz AZNBISYRSQVEJZ-SFHLNBCPSA-N 2 1 369.553 3.467 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584409187 507329804 /nfs/dbraw/zinc/32/98/04/507329804.db2.gz AZNBISYRSQVEJZ-SFHLNBCPSA-N 2 1 369.553 3.467 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000584437553 507342035 /nfs/dbraw/zinc/34/20/35/507342035.db2.gz NCWLLVYDLUUXST-HAGHYFMRSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000584437553 507342037 /nfs/dbraw/zinc/34/20/37/507342037.db2.gz NCWLLVYDLUUXST-HAGHYFMRSA-N 2 1 352.563 3.403 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000594999267 507348266 /nfs/dbraw/zinc/34/82/66/507348266.db2.gz BTVAMWYISFXQQY-IBGZPJMESA-N 2 1 367.493 3.193 20 0 FGADMP CC(C)C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(=O)OC(C)(C)C ZINC000595095468 507387874 /nfs/dbraw/zinc/38/78/74/507387874.db2.gz PAUVPFMGJCLQTP-PKOBYXMFSA-N 2 1 368.562 3.223 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(I)cc2)[C@@H](C)C1 ZINC000595095623 507390494 /nfs/dbraw/zinc/39/04/94/507390494.db2.gz RTPXMXSJFHAOLX-BBRMVZONSA-N 2 1 372.294 3.154 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000595151516 507413182 /nfs/dbraw/zinc/41/31/82/507413182.db2.gz NUMYRSSEERFMAI-SFHVURJKSA-N 2 1 367.541 3.479 20 0 FGADMP O=C(Nc1ccc2nccn2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000606581227 507449266 /nfs/dbraw/zinc/44/92/66/507449266.db2.gz VOAYZBRCZAFFDB-UHFFFAOYSA-N 2 1 355.486 3.454 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690474 507482138 /nfs/dbraw/zinc/48/21/38/507482138.db2.gz AGGKCXBKGCXQRN-NHCUHLMSSA-N 2 1 372.557 3.195 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606903158 507549436 /nfs/dbraw/zinc/54/94/36/507549436.db2.gz ILFRXGRWBJAWPW-FPOVZHCZSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000606903158 507549439 /nfs/dbraw/zinc/54/94/39/507549439.db2.gz ILFRXGRWBJAWPW-FPOVZHCZSA-N 2 1 374.569 3.450 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123790 507620474 /nfs/dbraw/zinc/62/04/74/507620474.db2.gz PARSLYJUILRARC-GIVPXCGWSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123790 507620483 /nfs/dbraw/zinc/62/04/83/507620483.db2.gz PARSLYJUILRARC-GIVPXCGWSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123790 507620490 /nfs/dbraw/zinc/62/04/90/507620490.db2.gz PARSLYJUILRARC-GIVPXCGWSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[NH+](C)C1CCCC1 ZINC000607180524 507647338 /nfs/dbraw/zinc/64/73/38/507647338.db2.gz ZFBYBCTUAUCDBG-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[N@H+](C)C1CCCC1 ZINC000607180524 507647349 /nfs/dbraw/zinc/64/73/49/507647349.db2.gz ZFBYBCTUAUCDBG-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000607180524 507647354 /nfs/dbraw/zinc/64/73/54/507647354.db2.gz ZFBYBCTUAUCDBG-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000607284611 507679969 /nfs/dbraw/zinc/67/99/69/507679969.db2.gz ILWHDROGGIVKID-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000607284611 507679974 /nfs/dbraw/zinc/67/99/74/507679974.db2.gz ILWHDROGGIVKID-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000607284611 507679980 /nfs/dbraw/zinc/67/99/80/507679980.db2.gz ILWHDROGGIVKID-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384383 507716142 /nfs/dbraw/zinc/71/61/42/507716142.db2.gz CVIURDQDFLAEPA-DYESRHJHSA-N 2 1 351.494 3.314 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCNc4cnccn4)[C@H]3C2)cc1 ZINC000513662395 516709714 /nfs/dbraw/zinc/70/97/14/516709714.db2.gz VDCFAZCNGKFTBE-PCCBWWKXSA-N 2 1 365.525 3.169 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669117921 568038382 /nfs/dbraw/zinc/03/83/82/568038382.db2.gz WWOYBJMHMNRKKA-XLIONFOSSA-N 2 1 358.530 3.002 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000669125146 568086085 /nfs/dbraw/zinc/08/60/85/568086085.db2.gz OSIGYYJIDVMQRW-DBXWQHBBSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820706393 606915146 /nfs/dbraw/zinc/91/51/46/606915146.db2.gz ZQFCEABWNJIDNZ-QGZVFWFLSA-N 2 1 368.529 3.343 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000047883522 695870204 /nfs/dbraw/zinc/87/02/04/695870204.db2.gz DPMNBVKLOJNHIC-SFHVURJKSA-N 2 1 366.937 3.115 20 0 FGADMP CCC[N@H+]1CC[C@H](CNCc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000103170177 700482538 /nfs/dbraw/zinc/48/25/38/700482538.db2.gz FOTOSGHWXPYOQF-CQSZACIVSA-N 2 1 359.495 3.360 20 0 FGADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc(C)c1OC(F)F ZINC000105477038 700501399 /nfs/dbraw/zinc/50/13/99/700501399.db2.gz KYIDRQRTKTWQGW-UHFFFAOYSA-N 2 1 355.473 3.022 20 0 FGADMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)CCC1 ZINC000155607404 705084503 /nfs/dbraw/zinc/08/45/03/705084503.db2.gz PUNCLDIGPLVPIF-PBHICJAKSA-N 2 1 367.896 3.072 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158130005 705174116 /nfs/dbraw/zinc/17/41/16/705174116.db2.gz POIGLDIGEUICBT-JKSUJKDBSA-N 2 1 351.922 3.169 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158130005 705174121 /nfs/dbraw/zinc/17/41/21/705174121.db2.gz POIGLDIGEUICBT-JKSUJKDBSA-N 2 1 351.922 3.169 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760806 705198556 /nfs/dbraw/zinc/19/85/56/705198556.db2.gz JTHSWZXYSMUMPX-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760806 705198560 /nfs/dbraw/zinc/19/85/60/705198560.db2.gz JTHSWZXYSMUMPX-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000158760806 705198565 /nfs/dbraw/zinc/19/85/65/705198565.db2.gz JTHSWZXYSMUMPX-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3CC[NH+](C)CC3)CC2)cs1 ZINC000161796947 705282917 /nfs/dbraw/zinc/28/29/17/705282917.db2.gz LUMMWVKUVMZTIK-MRXNPFEDSA-N 3 1 364.603 3.237 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccccc1Br ZINC000166776935 705346151 /nfs/dbraw/zinc/34/61/51/705346151.db2.gz QBVWMGJPTLMJCL-RBSFLKMASA-N 2 1 353.304 3.433 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000183686206 705897679 /nfs/dbraw/zinc/89/76/79/705897679.db2.gz LMMAXFSRQLQVRX-CRAIPNDOSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@H](C)C1 ZINC000192801008 712873826 /nfs/dbraw/zinc/87/38/26/712873826.db2.gz NRSGOUXWCSXVNN-CHWSQXEVSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)[C@H](C)C1 ZINC000192801008 712873829 /nfs/dbraw/zinc/87/38/29/712873829.db2.gz NRSGOUXWCSXVNN-CHWSQXEVSA-N 2 1 353.388 3.145 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(SC(F)F)cc2)CC1 ZINC000261988510 713716713 /nfs/dbraw/zinc/71/67/13/713716713.db2.gz KZCIJMQSGXLJNH-UHFFFAOYSA-N 2 1 357.470 3.261 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000301466949 713782082 /nfs/dbraw/zinc/78/20/82/713782082.db2.gz XOJCDSLMPIYTCX-BZSNNMDCSA-N 2 1 353.551 3.390 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000378880084 713974973 /nfs/dbraw/zinc/97/49/73/713974973.db2.gz FNDONFDFYIPEKH-XSLAGTTESA-N 2 1 351.535 3.286 20 0 FGADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000419003681 714010649 /nfs/dbraw/zinc/01/06/49/714010649.db2.gz NMRHDUAWZWMZGO-STQMWFEESA-N 2 1 353.388 3.145 20 0 FGADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000419003681 714010652 /nfs/dbraw/zinc/01/06/52/714010652.db2.gz NMRHDUAWZWMZGO-STQMWFEESA-N 2 1 353.388 3.145 20 0 FGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O)C(C)(C)C ZINC000523518758 714238684 /nfs/dbraw/zinc/23/86/84/714238684.db2.gz QGLCGKWYPDYAIB-IAGOWNOFSA-N 2 1 351.922 3.401 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[N@H+](C(C)C)C1)c1ccsc1 ZINC000523812589 714254076 /nfs/dbraw/zinc/25/40/76/714254076.db2.gz MFWIVYLLIIEXDK-AEFFLSMTSA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1C ZINC000530901871 714425047 /nfs/dbraw/zinc/42/50/47/714425047.db2.gz DZWJKAJWTVTISL-MNEFBYGVSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)C[C@H]1C ZINC000530901871 714425048 /nfs/dbraw/zinc/42/50/48/714425048.db2.gz DZWJKAJWTVTISL-MNEFBYGVSA-N 2 1 354.922 3.022 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995444 714619344 /nfs/dbraw/zinc/61/93/44/714619344.db2.gz ROFCSOKHGXOAIT-WMLDXEAASA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995444 714619347 /nfs/dbraw/zinc/61/93/47/714619347.db2.gz ROFCSOKHGXOAIT-WMLDXEAASA-N 2 1 351.922 3.179 20 0 FGADMP Brc1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)[C@H]2CCCO2)cc1 ZINC000643521273 718037703 /nfs/dbraw/zinc/03/77/03/718037703.db2.gz HWUHSLPEYGIMIP-BRWVUGGUSA-N 2 1 353.304 3.401 20 0 FGADMP Cc1cc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ncc1Br ZINC000623424821 715333664 /nfs/dbraw/zinc/33/36/64/715333664.db2.gz GIRYIDQGCQTGJN-GASCZTMLSA-N 2 1 370.335 3.132 20 0 FGADMP C[N@H+]1CC[C@H](N[C@@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488153 715346480 /nfs/dbraw/zinc/34/64/80/715346480.db2.gz JVGHGRZQOZDABX-BBRMVZONSA-N 2 1 355.320 3.335 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1(C)C ZINC000623513043 715351690 /nfs/dbraw/zinc/35/16/90/715351690.db2.gz GWTKIBCJAUFLNK-KRWDZBQOSA-N 2 1 351.922 3.139 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1(C)C ZINC000623513043 715351696 /nfs/dbraw/zinc/35/16/96/715351696.db2.gz GWTKIBCJAUFLNK-KRWDZBQOSA-N 2 1 351.922 3.139 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326737 715512285 /nfs/dbraw/zinc/51/22/85/715512285.db2.gz SSHLHTLAEQXLSN-IPMKNSEASA-N 2 1 351.485 3.074 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629560090 716307503 /nfs/dbraw/zinc/30/75/03/716307503.db2.gz CSNOAPSMJVKVLP-CMPLNLGQSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629560090 716307514 /nfs/dbraw/zinc/30/75/14/716307514.db2.gz CSNOAPSMJVKVLP-CMPLNLGQSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1C(F)(F)F ZINC000629564223 716308853 /nfs/dbraw/zinc/30/88/53/716308853.db2.gz RZWCWALIMANXFZ-RYUDHWBXSA-N 2 1 366.330 3.010 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1C(F)(F)F ZINC000629564223 716308864 /nfs/dbraw/zinc/30/88/64/716308864.db2.gz RZWCWALIMANXFZ-RYUDHWBXSA-N 2 1 366.330 3.010 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1C(F)(F)F ZINC000629565060 716309471 /nfs/dbraw/zinc/30/94/71/716309471.db2.gz USKHWLWCXLNGCL-BXUZGUMPSA-N 2 1 363.811 3.128 20 0 FGADMP COCCCOc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656626 716331652 /nfs/dbraw/zinc/33/16/52/716331652.db2.gz PULVBVZQTRTTEZ-DOTOQJQBSA-N 2 1 360.420 3.061 20 0 FGADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656626 716331659 /nfs/dbraw/zinc/33/16/59/716331659.db2.gz PULVBVZQTRTTEZ-DOTOQJQBSA-N 2 1 360.420 3.061 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1Cl ZINC000635188608 717152541 /nfs/dbraw/zinc/15/25/41/717152541.db2.gz OPMBENSRBNNCEF-CRAIPNDOSA-N 2 1 351.922 3.181 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757976 717598878 /nfs/dbraw/zinc/59/88/78/717598878.db2.gz NTNNTMQISYGPIN-UHFFFAOYSA-N 2 1 365.905 3.013 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757976 717598883 /nfs/dbraw/zinc/59/88/83/717598883.db2.gz NTNNTMQISYGPIN-UHFFFAOYSA-N 2 1 365.905 3.013 20 0 FGADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000639756959 717598967 /nfs/dbraw/zinc/59/89/67/717598967.db2.gz AWVIJUSCAZTXLM-UHFFFAOYSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3cc(Cl)ccc3Cl)C2)CC1 ZINC000639756959 717598973 /nfs/dbraw/zinc/59/89/73/717598973.db2.gz AWVIJUSCAZTXLM-UHFFFAOYSA-N 2 1 356.297 3.350 20 0 FGADMP C[C@@H](OC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759801 717599668 /nfs/dbraw/zinc/59/96/68/717599668.db2.gz JWLRXZDDVAMEPZ-VQIMIIECSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640989575 717842081 /nfs/dbraw/zinc/84/20/81/717842081.db2.gz DYQTTWHDTWASPP-GFCCVEGCSA-N 2 1 368.312 3.160 20 0 FGADMP O=C(CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Nc1cccc(C(F)(F)F)c1 ZINC000644531806 718120077 /nfs/dbraw/zinc/12/00/77/718120077.db2.gz OXIOPQJIOYBYEM-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP CCCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000645339365 718203686 /nfs/dbraw/zinc/20/36/86/718203686.db2.gz PXBTYXYDUACRNY-MSOLQXFVSA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295118 718276044 /nfs/dbraw/zinc/27/60/44/718276044.db2.gz VVDSNSDVTCTNIF-XVGQJIODSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295118 718276045 /nfs/dbraw/zinc/27/60/45/718276045.db2.gz VVDSNSDVTCTNIF-XVGQJIODSA-N 2 1 367.896 3.119 20 0 FGADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235885 718341699 /nfs/dbraw/zinc/34/16/99/718341699.db2.gz JBTDDCMWHBSONU-UXLLHSPISA-N 2 1 358.404 3.225 20 0 FGADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235885 718341701 /nfs/dbraw/zinc/34/17/01/718341701.db2.gz JBTDDCMWHBSONU-UXLLHSPISA-N 2 1 358.404 3.225 20 0 FGADMP FC(F)Oc1ccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988535 718392991 /nfs/dbraw/zinc/39/29/91/718392991.db2.gz YVKYOAPVVDOZCB-GOSISDBHSA-N 2 1 354.441 3.441 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648161494 718402291 /nfs/dbraw/zinc/40/22/91/718402291.db2.gz CPAKHHZFZBHXEY-GUYCJALGSA-N 2 1 355.885 3.106 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3Br)C2)C1 ZINC000650705716 718717090 /nfs/dbraw/zinc/71/70/90/718717090.db2.gz STXRKIDVAWZLNX-BFYDXBDKSA-N 2 1 353.304 3.167 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722813 718720672 /nfs/dbraw/zinc/72/06/72/718720672.db2.gz BTPRSTYSBYDQJM-FRFSOERESA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725291 718721149 /nfs/dbraw/zinc/72/11/49/718721149.db2.gz XQGSKZXEDANDLL-IIAWOOMASA-N 2 1 369.303 3.016 20 0 FGADMP COC[C@@H](CC(C)(C)C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000651666972 718848380 /nfs/dbraw/zinc/84/83/80/718848380.db2.gz UAALMPNSMLGKMA-SJORKVTESA-N 2 1 353.576 3.077 20 0 FGADMP COC[C@H](CC(C)(C)C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000651666971 718848495 /nfs/dbraw/zinc/84/84/95/718848495.db2.gz UAALMPNSMLGKMA-IRXDYDNUSA-N 2 1 353.576 3.077 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](CC)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000652143235 718916640 /nfs/dbraw/zinc/91/66/40/718916640.db2.gz SRSMCZBIZFEJKX-DOTOQJQBSA-N 2 1 350.503 3.485 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348512 718935160 /nfs/dbraw/zinc/93/51/60/718935160.db2.gz GZLYHGVSGLYRSQ-FCEWJHQRSA-N 2 1 350.528 3.006 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000652354443 718936432 /nfs/dbraw/zinc/93/64/32/718936432.db2.gz YRIMNLNEYHOFDN-CZUORRHYSA-N 2 1 368.319 3.227 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154588 719018480 /nfs/dbraw/zinc/01/84/80/719018480.db2.gz VWTCPNKZKAUUCA-JTZSMWBOSA-N 2 1 367.896 3.248 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000653154588 719018483 /nfs/dbraw/zinc/01/84/83/719018483.db2.gz VWTCPNKZKAUUCA-JTZSMWBOSA-N 2 1 367.896 3.248 20 0 FGADMP COc1ccc(Br)cc1C1([NH2+]CCCc2c[nH+]cn2C)CC1 ZINC000653776315 719089565 /nfs/dbraw/zinc/08/95/65/719089565.db2.gz ZNSBHAQCJHSEQZ-UHFFFAOYSA-N 2 1 364.287 3.403 20 0 FGADMP CC[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1F ZINC000655717899 719329265 /nfs/dbraw/zinc/32/92/65/719329265.db2.gz FTGSHDDFMKBUOA-MSOLQXFVSA-N 2 1 350.478 3.216 20 0 FGADMP C(CCCC[NH+]1C[C@H]2CC[C@@H](C1)O2)CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000781898466 724608858 /nfs/dbraw/zinc/60/88/58/724608858.db2.gz LIFDVWGLNICLOU-FXELSEDVSA-N 2 1 350.547 3.444 20 0 FGADMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000781903692 724609971 /nfs/dbraw/zinc/60/99/71/724609971.db2.gz HEWCMBNPTUCJKV-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657860389 719722413 /nfs/dbraw/zinc/72/24/13/719722413.db2.gz GRJJWXHHVZNKMI-OALUTQOASA-N 2 1 366.571 3.381 20 0 FGADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657860389 719722417 /nfs/dbraw/zinc/72/24/17/719722417.db2.gz GRJJWXHHVZNKMI-OALUTQOASA-N 2 1 366.571 3.381 20 0 FGADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657875921 719724475 /nfs/dbraw/zinc/72/44/75/719724475.db2.gz JLGBEVJBZCNSKH-GOSISDBHSA-N 2 1 365.949 3.193 20 0 FGADMP C[C@@H]1CN(CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C[C@H](C)O1 ZINC000660007124 719971121 /nfs/dbraw/zinc/97/11/21/719971121.db2.gz HFRZQOYEGWPHRA-AQNXPRMDSA-N 2 1 351.579 3.072 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccsc1 ZINC000660338946 720032936 /nfs/dbraw/zinc/03/29/36/720032936.db2.gz NSTJUPUPRLRRHR-DLBZAZTESA-N 2 1 366.575 3.303 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505141 720266663 /nfs/dbraw/zinc/26/66/63/720266663.db2.gz KFXWSLJLWXMHQK-IAGOWNOFSA-N 2 1 366.937 3.115 20 0 FGADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCSc3ccccc3Cl)CC2)C1 ZINC000662157760 720384859 /nfs/dbraw/zinc/38/48/59/720384859.db2.gz QGOSUMYBRYYTKD-INIZCTEOSA-N 2 1 354.947 3.353 20 0 FGADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCSc3ccccc3Cl)CC2)C1 ZINC000662157760 720384862 /nfs/dbraw/zinc/38/48/62/720384862.db2.gz QGOSUMYBRYYTKD-INIZCTEOSA-N 2 1 354.947 3.353 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284212 720410074 /nfs/dbraw/zinc/41/00/74/720410074.db2.gz GDZMNCSZPLFJHM-XPKDYRNWSA-N 2 1 358.404 3.145 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1Cl ZINC000662336412 720416587 /nfs/dbraw/zinc/41/65/87/720416587.db2.gz BRSRGEGQJPGZJL-PVUWLOKVSA-N 2 1 370.324 3.245 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662475874 720432653 /nfs/dbraw/zinc/43/26/53/720432653.db2.gz IXVZSZZNTXCWIJ-KRWDZBQOSA-N 2 1 372.340 3.492 20 0 FGADMP C[C@@](O)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368263 720506451 /nfs/dbraw/zinc/50/64/51/720506451.db2.gz CFJSLHOCCHPZSP-IAGOWNOFSA-N 2 1 356.432 3.192 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000663450622 720515922 /nfs/dbraw/zinc/51/59/22/720515922.db2.gz KGEHIUPHVINNFJ-HOTGVXAUSA-N 2 1 364.559 3.057 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000664627182 720668019 /nfs/dbraw/zinc/66/80/19/720668019.db2.gz USOBDLMDXVLSQW-SJORKVTESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664627182 720668021 /nfs/dbraw/zinc/66/80/21/720668021.db2.gz USOBDLMDXVLSQW-SJORKVTESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000664627182 720668024 /nfs/dbraw/zinc/66/80/24/720668024.db2.gz USOBDLMDXVLSQW-SJORKVTESA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000665639338 720794470 /nfs/dbraw/zinc/79/44/70/720794470.db2.gz VKIJZBZXGZTNTO-HOTGVXAUSA-N 2 1 368.953 3.314 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)[C@@H](C)c1cccc(Cl)c1 ZINC000665639338 720794477 /nfs/dbraw/zinc/79/44/77/720794477.db2.gz VKIJZBZXGZTNTO-HOTGVXAUSA-N 2 1 368.953 3.314 20 0 FGADMP Brc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000666341677 720920199 /nfs/dbraw/zinc/92/01/99/720920199.db2.gz VKGXPBYAAAGLFB-SFHVURJKSA-N 2 1 367.331 3.225 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cnc12 ZINC000666996785 721011356 /nfs/dbraw/zinc/01/13/56/721011356.db2.gz FTEZUWHYDJFMPV-CQSZACIVSA-N 2 1 363.303 3.170 20 0 FGADMP CN(C)c1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164792236 721494645 /nfs/dbraw/zinc/49/46/45/721494645.db2.gz KZPBBOXDKBZVQQ-UHFFFAOYSA-N 2 1 365.525 3.424 20 0 FGADMP CC(C)[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000671125904 721568679 /nfs/dbraw/zinc/56/86/79/721568679.db2.gz JYKCJGBZNBHAAP-ROUUACIJSA-N 2 1 358.448 3.231 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671761354 721612646 /nfs/dbraw/zinc/61/26/46/721612646.db2.gz XCYKEEKYHBJRCR-XHSDSOJGSA-N 2 1 353.304 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672620772 721639390 /nfs/dbraw/zinc/63/93/90/721639390.db2.gz RNUDOZGSMZTFND-KPFFTGBYSA-N 2 1 368.949 3.143 20 0 FGADMP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1N ZINC001164908944 721722197 /nfs/dbraw/zinc/72/21/97/721722197.db2.gz ZUNIWZQXVXVYKD-IBGZPJMESA-N 2 1 373.451 3.105 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](CC)C[NH+]2CCCC2)CC1 ZINC000675193386 721737163 /nfs/dbraw/zinc/73/71/63/721737163.db2.gz GXGOZEJAVNUGSY-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000678343254 721953345 /nfs/dbraw/zinc/95/33/45/721953345.db2.gz OBSMPGJGDLDVLN-HZPDHXFCSA-N 2 1 350.491 3.252 20 0 FGADMP CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000682166416 722239996 /nfs/dbraw/zinc/23/99/96/722239996.db2.gz GXVQSXVEENCIEX-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000682646811 722260405 /nfs/dbraw/zinc/26/04/05/722260405.db2.gz GILVWSMEKIDLMW-IAGOWNOFSA-N 2 1 364.287 3.235 20 0 FGADMP Cc1nc2ccc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc2s1 ZINC000685457355 722385859 /nfs/dbraw/zinc/38/58/59/722385859.db2.gz BFIJZDWHYCKMGQ-GOSISDBHSA-N 2 1 358.555 3.205 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)c1cccs1 ZINC000726489988 722435550 /nfs/dbraw/zinc/43/55/50/722435550.db2.gz GTNFNKYGKMAGJJ-CVEARBPZSA-N 2 1 368.616 3.032 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000727469576 722444895 /nfs/dbraw/zinc/44/48/95/722444895.db2.gz ZMSSIPVBUDOZHH-SFHVURJKSA-N 2 1 353.551 3.345 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc(Cl)c1 ZINC000758459532 722990154 /nfs/dbraw/zinc/99/01/54/722990154.db2.gz AMKRVPFQPKMUJQ-UHFFFAOYSA-N 2 1 350.938 3.368 20 0 FGADMP CC(C)(C)SCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796384827 723635679 /nfs/dbraw/zinc/63/56/79/723635679.db2.gz PNNLVJAPLAJNMA-HXUWFJFHSA-N 2 1 361.599 3.410 20 0 FGADMP CC(C)(C)OC(=O)NCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000774876706 723937370 /nfs/dbraw/zinc/93/73/70/723937370.db2.gz REUAWPHWJUIUNR-GOSISDBHSA-N 2 1 353.551 3.489 20 0 FGADMP CC(C)(C)OC(=O)NCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000774876706 723937372 /nfs/dbraw/zinc/93/73/72/723937372.db2.gz REUAWPHWJUIUNR-GOSISDBHSA-N 2 1 353.551 3.489 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177053 723995309 /nfs/dbraw/zinc/99/53/09/723995309.db2.gz JFOFBYZVXVMWSS-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983876 724379296 /nfs/dbraw/zinc/37/92/96/724379296.db2.gz ABEHODXRPQAESL-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983876 724379304 /nfs/dbraw/zinc/37/93/04/724379304.db2.gz ABEHODXRPQAESL-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP CC[NH+]1CCC(CC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000809622874 725253104 /nfs/dbraw/zinc/25/31/04/725253104.db2.gz NGNOUICQVFFXFC-UHFFFAOYSA-N 2 1 365.319 3.308 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465275 725309244 /nfs/dbraw/zinc/30/92/44/725309244.db2.gz KWAIOOIRIFTGBN-LPHOPBHVSA-N 2 1 369.912 3.271 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812735900 726806880 /nfs/dbraw/zinc/80/68/80/726806880.db2.gz VQPTUUCMGZLCSU-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812735900 726806883 /nfs/dbraw/zinc/80/68/83/726806883.db2.gz VQPTUUCMGZLCSU-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053310 727027207 /nfs/dbraw/zinc/02/72/07/727027207.db2.gz PBRRYADYTGDRHF-CXAGYDPISA-N 2 1 373.310 3.069 20 0 FGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053310 727027212 /nfs/dbraw/zinc/02/72/12/727027212.db2.gz PBRRYADYTGDRHF-CXAGYDPISA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053310 727027218 /nfs/dbraw/zinc/02/72/18/727027218.db2.gz PBRRYADYTGDRHF-CXAGYDPISA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@@](C)(O)c1ccc(Br)cc1F ZINC000815053310 727027221 /nfs/dbraw/zinc/02/72/21/727027221.db2.gz PBRRYADYTGDRHF-CXAGYDPISA-N 2 1 373.310 3.069 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818966279 727331618 /nfs/dbraw/zinc/33/16/18/727331618.db2.gz PSNLMYYMTQJECD-BZNIZROVSA-N 2 1 370.266 3.052 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080489 727345638 /nfs/dbraw/zinc/34/56/38/727345638.db2.gz GJKOHGCLQJNOSI-BPQIPLTHSA-N 2 1 356.432 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080489 727345641 /nfs/dbraw/zinc/34/56/41/727345641.db2.gz GJKOHGCLQJNOSI-BPQIPLTHSA-N 2 1 356.432 3.449 20 0 FGADMP Cc1cc(N2CCC([NH2+]C[C@H](O)c3ccccc3Cl)CC2)nc(C)[nH+]1 ZINC000819136989 727351315 /nfs/dbraw/zinc/35/13/15/727351315.db2.gz SEQJETVEAXBQFK-SFHVURJKSA-N 2 1 360.889 3.039 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000819181791 727355471 /nfs/dbraw/zinc/35/54/71/727355471.db2.gz BAWMKILPXJPTKS-MAUKXSAKSA-N 2 1 369.347 3.440 20 0 FGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882594 729228209 /nfs/dbraw/zinc/22/82/09/729228209.db2.gz KQTJZSBVYPHDQA-SJORKVTESA-N 2 1 357.325 3.139 20 0 FGADMP C[N@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882594 729228213 /nfs/dbraw/zinc/22/82/13/729228213.db2.gz KQTJZSBVYPHDQA-SJORKVTESA-N 2 1 357.325 3.139 20 0 FGADMP C[N@@H+](CC[C@@H]1CC1(Cl)Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882594 729228219 /nfs/dbraw/zinc/22/82/19/729228219.db2.gz KQTJZSBVYPHDQA-SJORKVTESA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000822882594 729228223 /nfs/dbraw/zinc/22/82/23/729228223.db2.gz KQTJZSBVYPHDQA-SJORKVTESA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@@H]1CC1(Cl)Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000822882594 729228226 /nfs/dbraw/zinc/22/82/26/729228226.db2.gz KQTJZSBVYPHDQA-SJORKVTESA-N 2 1 357.325 3.139 20 0 FGADMP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000823818570 729306595 /nfs/dbraw/zinc/30/65/95/729306595.db2.gz IDKUGTHSHPXXQS-QZTJIDSGSA-N 2 1 355.567 3.493 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428555 729337667 /nfs/dbraw/zinc/33/76/67/729337667.db2.gz TXBRQKUDCBQSPK-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)CCN1C(=O)OC(C)(C)C ZINC000824428555 729337668 /nfs/dbraw/zinc/33/76/68/729337668.db2.gz TXBRQKUDCBQSPK-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000824993116 729367043 /nfs/dbraw/zinc/36/70/43/729367043.db2.gz NUEOFTYUUZFXDX-SQNIBIBYSA-N 2 1 351.535 3.383 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000824993113 729367189 /nfs/dbraw/zinc/36/71/89/729367189.db2.gz NUEOFTYUUZFXDX-BZSNNMDCSA-N 2 1 351.535 3.383 20 0 FGADMP CC1(C)[C@H](O)CC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CC[C@H](O)C2(C)C)c1 ZINC000829973736 729526833 /nfs/dbraw/zinc/52/68/33/729526833.db2.gz KJTLKZSUHGFASP-HDICACEKSA-N 2 1 366.933 3.030 20 0 FGADMP CC1(C)[C@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973736 729526836 /nfs/dbraw/zinc/52/68/36/729526836.db2.gz KJTLKZSUHGFASP-HDICACEKSA-N 2 1 366.933 3.030 20 0 FGADMP CC1(C)[C@H](O)CC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973736 729526843 /nfs/dbraw/zinc/52/68/43/729526843.db2.gz KJTLKZSUHGFASP-HDICACEKSA-N 2 1 366.933 3.030 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1ccccc1Br ZINC000832679776 729727037 /nfs/dbraw/zinc/72/70/37/729727037.db2.gz JYPWEMNJGACDTP-QGZVFWFLSA-N 2 1 355.320 3.290 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)c1ccccc1Br ZINC000832679776 729727043 /nfs/dbraw/zinc/72/70/43/729727043.db2.gz JYPWEMNJGACDTP-QGZVFWFLSA-N 2 1 355.320 3.290 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566848 729815019 /nfs/dbraw/zinc/81/50/19/729815019.db2.gz TZSOQRRCVJNVTH-YQQAZPJKSA-N 2 1 350.507 3.205 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841057715 730206844 /nfs/dbraw/zinc/20/68/44/730206844.db2.gz MIBRMRHLKRZBPF-HZPDHXFCSA-N 2 1 350.869 3.392 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843058978 730574949 /nfs/dbraw/zinc/57/49/49/730574949.db2.gz BDKHQAJVCSKSJY-QXAKKESOSA-N 2 1 358.917 3.452 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000843058978 730574955 /nfs/dbraw/zinc/57/49/55/730574955.db2.gz BDKHQAJVCSKSJY-QXAKKESOSA-N 2 1 358.917 3.452 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000843353588 730609873 /nfs/dbraw/zinc/60/98/73/730609873.db2.gz CPUMGQWWMRIEAA-LMWSTFAQSA-N 2 1 358.313 3.372 20 0 FGADMP C[N@@H+](CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)C1CCC([NH3+])CC1 ZINC000843355556 730609956 /nfs/dbraw/zinc/60/99/56/730609956.db2.gz VNUDQROXMLPBAM-UHFFFAOYSA-N 2 1 362.474 3.089 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000849349508 731251126 /nfs/dbraw/zinc/25/11/26/731251126.db2.gz BSGUEFXZAKENSL-LBPRGKRZSA-N 2 1 364.843 3.304 20 0 FGADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1Cl ZINC000849349508 731251128 /nfs/dbraw/zinc/25/11/28/731251128.db2.gz BSGUEFXZAKENSL-LBPRGKRZSA-N 2 1 364.843 3.304 20 0 FGADMP CCOC(=O)NC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000850456626 731358865 /nfs/dbraw/zinc/35/88/65/731358865.db2.gz ASXFINDMZTWGOE-KNXWPPODSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]12OCCC[C@H]1C2(F)F ZINC000850534303 731370033 /nfs/dbraw/zinc/37/00/33/731370033.db2.gz LJASAKXJZBJTKH-LULLPPNCSA-N 2 1 350.453 3.301 20 0 FGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1ccc(Cl)nc1 ZINC000851865149 731511780 /nfs/dbraw/zinc/51/17/80/731511780.db2.gz ROGVDCYSYVGJRG-UHFFFAOYSA-N 2 1 364.921 3.262 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590886 732039992 /nfs/dbraw/zinc/03/99/92/732039992.db2.gz DFGGDQQMXQIMST-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590886 732039997 /nfs/dbraw/zinc/03/99/97/732039997.db2.gz DFGGDQQMXQIMST-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590886 732040001 /nfs/dbraw/zinc/04/00/01/732040001.db2.gz DFGGDQQMXQIMST-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](Cc3ccnc(Cl)c3)C2)ccn1 ZINC000856590886 732040008 /nfs/dbraw/zinc/04/00/08/732040008.db2.gz DFGGDQQMXQIMST-GOSISDBHSA-N 2 1 360.889 3.235 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119583 732182420 /nfs/dbraw/zinc/18/24/20/732182420.db2.gz PISIPXVCVHODFH-GVDBMIGSSA-N 2 1 353.551 3.484 20 0 FGADMP Cc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(Br)cc1F ZINC000858133269 732183928 /nfs/dbraw/zinc/18/39/28/732183928.db2.gz MSMYVIXUMGCBIR-HNNXBMFYSA-N 2 1 373.310 3.223 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858183356 732190285 /nfs/dbraw/zinc/19/02/85/732190285.db2.gz CTHPKMVGLSJHCX-ARFHVFGLSA-N 2 1 351.535 3.285 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000872149518 735595839 /nfs/dbraw/zinc/59/58/39/735595839.db2.gz NWSBXSHYGJTVNL-PWSUYJOCSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)C[C@@H]1C(F)(F)F ZINC000872149518 735595840 /nfs/dbraw/zinc/59/58/40/735595840.db2.gz NWSBXSHYGJTVNL-PWSUYJOCSA-N 2 1 356.310 3.153 20 0 FGADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(C(C)C)n(C)c1=S ZINC000872743401 735670088 /nfs/dbraw/zinc/67/00/88/735670088.db2.gz BMLHLCRNOVTREV-UHFFFAOYSA-N 2 1 353.580 3.332 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(C(C)C)n(C)c1=S ZINC000872743401 735670092 /nfs/dbraw/zinc/67/00/92/735670092.db2.gz BMLHLCRNOVTREV-UHFFFAOYSA-N 2 1 353.580 3.332 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740286 736712351 /nfs/dbraw/zinc/71/23/51/736712351.db2.gz JXAQZTAHEVKAHM-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740286 736712353 /nfs/dbraw/zinc/71/23/53/736712353.db2.gz JXAQZTAHEVKAHM-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740286 736712355 /nfs/dbraw/zinc/71/23/55/736712355.db2.gz JXAQZTAHEVKAHM-KURKYZTESA-N 2 1 351.535 3.050 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCOC(F)(F)F)CC2)CC1 ZINC000878174498 736784515 /nfs/dbraw/zinc/78/45/15/736784515.db2.gz QDKVSNFPQLUSEM-UHFFFAOYSA-N 2 1 365.484 3.041 20 0 FGADMP C[N@H+](CCCOC(F)(F)F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174498 736784519 /nfs/dbraw/zinc/78/45/19/736784519.db2.gz QDKVSNFPQLUSEM-UHFFFAOYSA-N 3 1 365.484 3.041 20 0 FGADMP C[N@@H+](CCCOC(F)(F)F)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878174498 736784522 /nfs/dbraw/zinc/78/45/22/736784522.db2.gz QDKVSNFPQLUSEM-UHFFFAOYSA-N 3 1 365.484 3.041 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000883360026 737557933 /nfs/dbraw/zinc/55/79/33/737557933.db2.gz SGUIPXZJWHRPLV-YUELXQCFSA-N 2 1 366.374 3.188 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000883360026 737557939 /nfs/dbraw/zinc/55/79/39/737557939.db2.gz SGUIPXZJWHRPLV-YUELXQCFSA-N 2 1 366.374 3.188 20 0 FGADMP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000884203134 737642588 /nfs/dbraw/zinc/64/25/88/737642588.db2.gz POVKDZPZRBNOQG-DOTOQJQBSA-N 2 1 351.560 3.086 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2C(F)(F)F)CC1 ZINC000884206224 737642960 /nfs/dbraw/zinc/64/29/60/737642960.db2.gz PGNXFBDTQOBMCC-MRXNPFEDSA-N 2 1 357.420 3.086 20 0 FGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000884226547 737644932 /nfs/dbraw/zinc/64/49/32/737644932.db2.gz WGHBRFDJRBJJMI-PVAVHDDUSA-N 2 1 351.560 3.257 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000891596622 739919325 /nfs/dbraw/zinc/91/93/25/739919325.db2.gz DOUVYEREMGIGHH-JFIYKMOQSA-N 2 1 364.559 3.044 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000892516812 740011120 /nfs/dbraw/zinc/01/11/20/740011120.db2.gz ODCGVDSQKRXLGX-UHFFFAOYSA-N 2 1 356.308 3.227 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000892516812 740011126 /nfs/dbraw/zinc/01/11/26/740011126.db2.gz ODCGVDSQKRXLGX-UHFFFAOYSA-N 2 1 356.308 3.227 20 0 FGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892744678 740040059 /nfs/dbraw/zinc/04/00/59/740040059.db2.gz CKONOOPQZWIFLK-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2NC(C)=O)C1 ZINC000892744678 740040061 /nfs/dbraw/zinc/04/00/61/740040061.db2.gz CKONOOPQZWIFLK-AWEZNQCLSA-N 2 1 368.319 3.229 20 0 FGADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000893209589 742124748 /nfs/dbraw/zinc/12/47/48/742124748.db2.gz LIBLQPIGLKCNRT-OJDXAPKPSA-N 2 1 351.897 3.439 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc(O)cc(Cl)c1 ZINC000893487247 742160925 /nfs/dbraw/zinc/16/09/25/742160925.db2.gz LNJIZFJWJPPMDV-LJQANCHMSA-N 2 1 360.885 3.292 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c3c(nn2C)CCSC3)CC1 ZINC000893940161 742216771 /nfs/dbraw/zinc/21/67/71/742216771.db2.gz JZIHNHQWBDHQPI-UHFFFAOYSA-N 2 1 350.576 3.153 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894375515 742274783 /nfs/dbraw/zinc/27/47/83/742274783.db2.gz LXINJQARSNLZRT-UHFFFAOYSA-N 2 1 352.935 3.067 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC([NH2+]C3CCC3)CC2)C1 ZINC000897981184 742730262 /nfs/dbraw/zinc/73/02/62/742730262.db2.gz JRXKAMBLBXMCCJ-HXUWFJFHSA-N 2 1 351.535 3.240 20 0 FGADMP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC000900435544 743112316 /nfs/dbraw/zinc/11/23/16/743112316.db2.gz PKNBIYCNCFPYPY-HKUYNNGSSA-N 2 1 361.555 3.093 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902744674 743772190 /nfs/dbraw/zinc/77/21/90/743772190.db2.gz FCVCAGLUKBNEHM-OAHLLOKOSA-N 2 1 358.452 3.169 20 0 FGADMP [NH3+]CC1([C@H]2CCCC[N@H+]2CCC(=O)N2CCc3sccc3C2)CCC1 ZINC000903813828 743885698 /nfs/dbraw/zinc/88/56/98/743885698.db2.gz IVLSDRXGBXUWFK-GOSISDBHSA-N 2 1 361.555 3.006 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878500 743892475 /nfs/dbraw/zinc/89/24/75/743892475.db2.gz WGQQNMRPKQEWCT-LSDHHAIUSA-N 2 1 357.527 3.149 20 0 FGADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@@H](C)c2nc3ccccc3s2)cnn1C ZINC000903878500 743892479 /nfs/dbraw/zinc/89/24/79/743892479.db2.gz WGQQNMRPKQEWCT-LSDHHAIUSA-N 2 1 357.527 3.149 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCc2ccc(Cl)cc21 ZINC000903932830 743900346 /nfs/dbraw/zinc/90/03/46/743900346.db2.gz WECAQIZCLFNTDQ-RHSMWYFYSA-N 2 1 359.905 3.018 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000904406172 743952696 /nfs/dbraw/zinc/95/26/96/743952696.db2.gz SROIGNXWHBAQTF-HNNXBMFYSA-N 2 1 352.404 3.121 20 0 FGADMP Cn1c(Cl)nc(Cl)c1C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000904459263 743956685 /nfs/dbraw/zinc/95/66/85/743956685.db2.gz QGHVXNQFJOYDNV-UHFFFAOYSA-N 2 1 353.297 3.219 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2C[NH3+])[C@H]1c1cccs1 ZINC000904655138 743966463 /nfs/dbraw/zinc/96/64/63/743966463.db2.gz QEXSQKGUOHHMRV-YJBOKZPZSA-N 2 1 358.511 3.411 20 0 FGADMP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000906457628 744134361 /nfs/dbraw/zinc/13/43/61/744134361.db2.gz VWNDQXHOKHLAPD-SFHVURJKSA-N 2 1 361.555 3.296 20 0 FGADMP CCC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000906457628 744134363 /nfs/dbraw/zinc/13/43/63/744134363.db2.gz VWNDQXHOKHLAPD-SFHVURJKSA-N 2 1 361.555 3.296 20 0 FGADMP Cc1cc(C)cc(NC(=S)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000919718979 758466360 /nfs/dbraw/zinc/46/63/60/758466360.db2.gz MRMWDJVDSRPHIS-UHFFFAOYSA-N 2 1 355.511 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2csc(-c3ccn(C)n3)n2)C1 ZINC000921541349 758739093 /nfs/dbraw/zinc/73/90/93/758739093.db2.gz LBTOXINQKAXQKM-IYBDPMFKSA-N 2 1 361.559 3.391 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385294 758909337 /nfs/dbraw/zinc/90/93/37/758909337.db2.gz ADXWLKUOVHNEMK-WCVJEAGWSA-N 2 1 373.360 3.080 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)s1 ZINC000923033149 759053823 /nfs/dbraw/zinc/05/38/23/759053823.db2.gz COWDTHXSHWUODF-CVEARBPZSA-N 2 1 367.559 3.047 20 0 FGADMP CCCCCC[C@H](O)C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344748 759103916 /nfs/dbraw/zinc/10/39/16/759103916.db2.gz CYSDEWDJVXDARX-DLBZAZTESA-N 2 1 351.560 3.419 20 0 FGADMP CCCCCC[C@H](O)C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000923344748 759103919 /nfs/dbraw/zinc/10/39/19/759103919.db2.gz CYSDEWDJVXDARX-DLBZAZTESA-N 2 1 351.560 3.419 20 0 FGADMP [NH3+]CC[C@H]1CC[N@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000923484778 759129092 /nfs/dbraw/zinc/12/90/92/759129092.db2.gz MSDUDJLDZHBXSO-ZDUSSCGKSA-N 2 1 354.479 3.235 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2nc(=O)c3cc(-c4ccccc4)sc3[nH]2)C1 ZINC000923484778 759129099 /nfs/dbraw/zinc/12/90/99/759129099.db2.gz MSDUDJLDZHBXSO-ZDUSSCGKSA-N 2 1 354.479 3.235 20 0 FGADMP C[C@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496373 759132431 /nfs/dbraw/zinc/13/24/31/759132431.db2.gz BPBWOQLDKYCFLX-WCQYABFASA-N 2 1 354.376 3.172 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CCCC2)CC1 ZINC000925000760 759430581 /nfs/dbraw/zinc/43/05/81/759430581.db2.gz VHHBZLJVDFUPKI-QUCCMNQESA-N 2 1 350.547 3.205 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[NH2+]C34CCCC4)CC2)cs1 ZINC000925573832 759507066 /nfs/dbraw/zinc/50/70/66/759507066.db2.gz PYQYJNLSFCKTCW-SFHVURJKSA-N 3 1 362.587 3.182 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(Cl)Cl)CC[N@@H+]1C ZINC000968863899 762843504 /nfs/dbraw/zinc/84/35/04/762843504.db2.gz MDCUUMKWVOSOBC-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[NH+]2CC=C(Cl)Cl)CC[N@H+]1C ZINC000968863899 762843507 /nfs/dbraw/zinc/84/35/07/762843507.db2.gz MDCUUMKWVOSOBC-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@@H+]2CC=C(Cl)Cl)CC[NH+]1C ZINC000968863899 762843515 /nfs/dbraw/zinc/84/35/15/762843515.db2.gz MDCUUMKWVOSOBC-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCCC[N@H+]2CC=C(Cl)Cl)CC[NH+]1C ZINC000968863899 762843522 /nfs/dbraw/zinc/84/35/22/762843522.db2.gz MDCUUMKWVOSOBC-QLFBSQMISA-N 2 1 362.345 3.006 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000969689610 762859585 /nfs/dbraw/zinc/85/95/85/762859585.db2.gz JWKHHOWMADPUOI-MDASCCDHSA-N 2 1 363.933 3.007 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000969689610 762859595 /nfs/dbraw/zinc/85/95/95/762859595.db2.gz JWKHHOWMADPUOI-MDASCCDHSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(Cl)cc3)C(C)(C)C2)CC[N@H+]1C ZINC000995833686 764971774 /nfs/dbraw/zinc/97/17/74/764971774.db2.gz RMJUIMLWGAZTDY-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001001419493 765287382 /nfs/dbraw/zinc/28/73/82/765287382.db2.gz WCGSKEURVKVORE-UKRRQHHQSA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC001020172165 765866050 /nfs/dbraw/zinc/86/60/50/765866050.db2.gz OWNUECBKXPULQU-NMFUWQPSSA-N 2 1 370.324 3.070 20 0 FGADMP Cc1cc(C[NH+]2CCC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377401 766035743 /nfs/dbraw/zinc/03/57/43/766035743.db2.gz KSFCRDDMFPYXHP-SZVBFZGTSA-N 2 1 363.571 3.033 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377401 766035752 /nfs/dbraw/zinc/03/57/52/766035752.db2.gz KSFCRDDMFPYXHP-SZVBFZGTSA-N 2 1 363.571 3.033 20 0 FGADMP Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(C)s1 ZINC001023377401 766035759 /nfs/dbraw/zinc/03/57/59/766035759.db2.gz KSFCRDDMFPYXHP-SZVBFZGTSA-N 2 1 363.571 3.033 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001024447101 766052933 /nfs/dbraw/zinc/05/29/33/766052933.db2.gz QMEFHBIHQQOWAS-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001024447101 766052937 /nfs/dbraw/zinc/05/29/37/766052937.db2.gz QMEFHBIHQQOWAS-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001024447101 766052948 /nfs/dbraw/zinc/05/29/48/766052948.db2.gz QMEFHBIHQQOWAS-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001024447101 766052956 /nfs/dbraw/zinc/05/29/56/766052956.db2.gz QMEFHBIHQQOWAS-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2sccc2Cl)CC[N@H+]1C ZINC001034940898 766250323 /nfs/dbraw/zinc/25/03/23/766250323.db2.gz GMHWETBCWYAKJP-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001045044570 766505627 /nfs/dbraw/zinc/50/56/27/766505627.db2.gz NTCPDXDITPOHCD-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000248756666 257369754 /nfs/dbraw/zinc/36/97/54/257369754.db2.gz WNXHEKCSQITCGK-KSSFIOAISA-N 2 1 358.511 3.022 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000579608437 505586159 /nfs/dbraw/zinc/58/61/59/505586159.db2.gz TVJQOYADZLODPL-ZMSDIMECSA-N 2 1 366.465 3.222 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000579608437 505586162 /nfs/dbraw/zinc/58/61/62/505586162.db2.gz TVJQOYADZLODPL-ZMSDIMECSA-N 2 1 366.465 3.222 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000576748905 505584998 /nfs/dbraw/zinc/58/49/98/505584998.db2.gz FCXBOPJSAQBAHA-OAQYLSRUSA-N 2 1 359.477 3.213 20 0 FGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1OC ZINC000567990677 505591504 /nfs/dbraw/zinc/59/15/04/505591504.db2.gz VZNWKOIBRKLZEZ-JQFCIGGWSA-N 2 1 373.522 3.387 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1OC ZINC000567990677 505591505 /nfs/dbraw/zinc/59/15/05/505591505.db2.gz VZNWKOIBRKLZEZ-JQFCIGGWSA-N 2 1 373.522 3.387 20 0 FGADMP CCOc1cccc(Cl)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000568168703 505633671 /nfs/dbraw/zinc/63/36/71/505633671.db2.gz OSFUMBKEEVAHOU-UHFFFAOYSA-N 2 1 352.906 3.283 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648834 494107816 /nfs/dbraw/zinc/10/78/16/494107816.db2.gz DXOQNZZFPJXIBM-OLZOCXBDSA-N 2 1 370.278 3.426 20 0 FGADMP CC[C@@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000571102277 505654301 /nfs/dbraw/zinc/65/43/01/505654301.db2.gz JTESURPBZQQQSK-NRFANRHFSA-N 2 1 371.569 3.320 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573980777 505665948 /nfs/dbraw/zinc/66/59/48/505665948.db2.gz ZBNRHEPSPXASPR-PMACEKPBSA-N 2 1 367.493 3.055 20 0 FGADMP C[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Cl ZINC000047968447 493767255 /nfs/dbraw/zinc/76/72/55/493767255.db2.gz RKYPUCAEXZWQEG-INIZCTEOSA-N 2 1 363.933 3.325 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C)c1ccccc1 ZINC000057825930 493804030 /nfs/dbraw/zinc/80/40/30/493804030.db2.gz IWSVJCIMYVBIEY-PMACEKPBSA-N 2 1 357.473 3.238 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000068374898 493805828 /nfs/dbraw/zinc/80/58/28/493805828.db2.gz SUUGCZKQWGFLEL-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)c2cc1C ZINC000568384031 505681820 /nfs/dbraw/zinc/68/18/20/505681820.db2.gz SQSSIVWUASSDPV-VQTJNVASSA-N 2 1 372.557 3.258 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012530 493812361 /nfs/dbraw/zinc/81/23/61/493812361.db2.gz UERBNWVXVWEJHH-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012530 493812363 /nfs/dbraw/zinc/81/23/63/493812363.db2.gz UERBNWVXVWEJHH-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012530 493812369 /nfs/dbraw/zinc/81/23/69/493812369.db2.gz UERBNWVXVWEJHH-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000081012530 493812371 /nfs/dbraw/zinc/81/23/71/493812371.db2.gz UERBNWVXVWEJHH-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000081290843 493862234 /nfs/dbraw/zinc/86/22/34/493862234.db2.gz PQSRQEHKINKBSF-OAQYLSRUSA-N 2 1 355.526 3.277 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571009 493918907 /nfs/dbraw/zinc/91/89/07/493918907.db2.gz XZWUHUPAXCQJNU-WBVHZDCISA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571009 493918911 /nfs/dbraw/zinc/91/89/11/493918911.db2.gz XZWUHUPAXCQJNU-WBVHZDCISA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571009 493918916 /nfs/dbraw/zinc/91/89/16/493918916.db2.gz XZWUHUPAXCQJNU-WBVHZDCISA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000081571009 493918920 /nfs/dbraw/zinc/91/89/20/493918920.db2.gz XZWUHUPAXCQJNU-WBVHZDCISA-N 2 1 374.447 3.109 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682704 493950107 /nfs/dbraw/zinc/95/01/07/493950107.db2.gz YJEXMBURILKTEB-UHFFFAOYSA-N 2 1 361.511 3.256 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2CCCCC2)CC1 ZINC000051128209 493950349 /nfs/dbraw/zinc/95/03/49/493950349.db2.gz JSIAKQIBGLYURZ-UHFFFAOYSA-N 2 1 357.542 3.340 20 0 FGADMP CC(C)c1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958907 493994240 /nfs/dbraw/zinc/99/42/40/493994240.db2.gz XHXMTAAQKMJCLL-GOSISDBHSA-N 2 1 373.541 3.181 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000076983333 494002130 /nfs/dbraw/zinc/00/21/30/494002130.db2.gz FHSMCTVWENOIOT-FQEVSTJZSA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000062364844 494011257 /nfs/dbraw/zinc/01/12/57/494011257.db2.gz IVLWRZHQKIBBAK-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP CC(C)C[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000062364844 494011259 /nfs/dbraw/zinc/01/12/59/494011259.db2.gz IVLWRZHQKIBBAK-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000571300789 505702354 /nfs/dbraw/zinc/70/23/54/505702354.db2.gz SWTSIFYDGIYZRY-AVRDEDQJSA-N 2 1 372.557 3.107 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000086284563 494147713 /nfs/dbraw/zinc/14/77/13/494147713.db2.gz BURLAVNDDHRDLF-WMZOPIPTSA-N 2 1 369.513 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000086284563 494147718 /nfs/dbraw/zinc/14/77/18/494147718.db2.gz BURLAVNDDHRDLF-WMZOPIPTSA-N 2 1 369.513 3.271 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086364655 494150503 /nfs/dbraw/zinc/15/05/03/494150503.db2.gz AUIRJYFMVOXOJL-CVEARBPZSA-N 2 1 357.502 3.271 20 0 FGADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086423909 494153565 /nfs/dbraw/zinc/15/35/65/494153565.db2.gz CLBDFNVJSGNZME-HNAYVOBHSA-N 2 1 355.486 3.025 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086423909 494153568 /nfs/dbraw/zinc/15/35/68/494153568.db2.gz CLBDFNVJSGNZME-HNAYVOBHSA-N 2 1 355.486 3.025 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000072810461 494255541 /nfs/dbraw/zinc/25/55/41/494255541.db2.gz DXWWCLVJWKLSIF-SVFBPWRDSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000072810461 494255547 /nfs/dbraw/zinc/25/55/47/494255547.db2.gz DXWWCLVJWKLSIF-SVFBPWRDSA-N 2 1 357.542 3.402 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccn(C(C)C)n2)CC1 ZINC000088727577 494256562 /nfs/dbraw/zinc/25/65/62/494256562.db2.gz TXZIBCPBSUBNRC-UHFFFAOYSA-N 2 1 355.530 3.286 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)[C@H]2CCCc3ccccc32)CC1 ZINC000089116924 494267598 /nfs/dbraw/zinc/26/75/98/494267598.db2.gz YAOFHPMDYDKFQH-NRFANRHFSA-N 2 1 355.526 3.129 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868310 494271807 /nfs/dbraw/zinc/27/18/07/494271807.db2.gz ACRRAHNSKHPBMW-HXUWFJFHSA-N 2 1 352.478 3.412 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072868310 494271811 /nfs/dbraw/zinc/27/18/11/494271811.db2.gz ACRRAHNSKHPBMW-HXUWFJFHSA-N 2 1 352.478 3.412 20 0 FGADMP C[NH+](Cc1ccc2c(c1)OCCO2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000072868310 494271817 /nfs/dbraw/zinc/27/18/17/494271817.db2.gz ACRRAHNSKHPBMW-HXUWFJFHSA-N 2 1 352.478 3.412 20 0 FGADMP C[NH+](Cc1ccc2c(c1)OCCO2)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072868310 494271819 /nfs/dbraw/zinc/27/18/19/494271819.db2.gz ACRRAHNSKHPBMW-HXUWFJFHSA-N 2 1 352.478 3.412 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000066047487 494273633 /nfs/dbraw/zinc/27/36/33/494273633.db2.gz HCBNTWRFOWOWIE-OAQYLSRUSA-N 2 1 369.484 3.209 20 0 FGADMP C[C@H](CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C[NH+]1CCCC1 ZINC000073204674 494336839 /nfs/dbraw/zinc/33/68/39/494336839.db2.gz NHDDEAUYBFXYCZ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1CCc2sccc2C1 ZINC000044276701 494346766 /nfs/dbraw/zinc/34/67/66/494346766.db2.gz IYQCFDFMANFOTN-OAHLLOKOSA-N 2 1 372.538 3.378 20 0 FGADMP C[C@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+]1CCc2sccc2C1 ZINC000044276701 494346769 /nfs/dbraw/zinc/34/67/69/494346769.db2.gz IYQCFDFMANFOTN-OAHLLOKOSA-N 2 1 372.538 3.378 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccc(F)cc3)CC2)CC1 ZINC000066568237 494357108 /nfs/dbraw/zinc/35/71/08/494357108.db2.gz FUFMGUOPPMRTBB-QGZVFWFLSA-N 2 1 361.505 3.153 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000078799680 494363673 /nfs/dbraw/zinc/36/36/73/494363673.db2.gz VPBBOICFRQISAP-LEWJYISDSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000078799680 494363676 /nfs/dbraw/zinc/36/36/76/494363676.db2.gz VPBBOICFRQISAP-LEWJYISDSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000078799680 494363680 /nfs/dbraw/zinc/36/36/80/494363680.db2.gz VPBBOICFRQISAP-LEWJYISDSA-N 2 1 357.542 3.420 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000073550690 494388560 /nfs/dbraw/zinc/38/85/60/494388560.db2.gz PSUQBRWAYOFZMX-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000045121400 494399787 /nfs/dbraw/zinc/39/97/87/494399787.db2.gz FNNDOEUZABPXPH-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089934454 494405280 /nfs/dbraw/zinc/40/52/80/494405280.db2.gz HNPOQOOZFOURHB-ZWKOTPCHSA-N 2 1 366.937 3.067 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000089934454 494405283 /nfs/dbraw/zinc/40/52/83/494405283.db2.gz HNPOQOOZFOURHB-ZWKOTPCHSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000079197800 494417759 /nfs/dbraw/zinc/41/77/59/494417759.db2.gz VMWOWHGOWJRTIP-SJORKVTESA-N 2 1 366.575 3.305 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000073724190 494418768 /nfs/dbraw/zinc/41/87/68/494418768.db2.gz OYTDKOGARWWMNC-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000073911040 494447618 /nfs/dbraw/zinc/44/76/18/494447618.db2.gz FWYHEHMBNXDCPI-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000073988931 494462039 /nfs/dbraw/zinc/46/20/39/494462039.db2.gz LDRXNVJRZRBUEP-QIJUGHKUSA-N 2 1 369.553 3.025 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1 ZINC000079612646 494493102 /nfs/dbraw/zinc/49/31/02/494493102.db2.gz ACIWGULFDWGIEP-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000079620881 494495466 /nfs/dbraw/zinc/49/54/66/494495466.db2.gz PVIGIHUISRBZPE-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000090803060 494497656 /nfs/dbraw/zinc/49/76/56/494497656.db2.gz WMRGAIJNTJMUDN-HLAWJBBLSA-N 2 1 350.510 3.303 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000090803060 494497660 /nfs/dbraw/zinc/49/76/60/494497660.db2.gz WMRGAIJNTJMUDN-HLAWJBBLSA-N 2 1 350.510 3.303 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000568570161 505724715 /nfs/dbraw/zinc/72/47/15/505724715.db2.gz OBNBHHJTCMNGBC-QHCPKHFHSA-N 2 1 368.521 3.415 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000074490527 494546152 /nfs/dbraw/zinc/54/61/52/494546152.db2.gz AECFSITVEWGELE-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000074490527 494546157 /nfs/dbraw/zinc/54/61/57/494546157.db2.gz AECFSITVEWGELE-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000074490527 494546163 /nfs/dbraw/zinc/54/61/63/494546163.db2.gz AECFSITVEWGELE-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000079912006 494548350 /nfs/dbraw/zinc/54/83/50/494548350.db2.gz GJMTZOIQNDHUDK-UHFFFAOYSA-N 2 1 366.594 3.262 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2)n1 ZINC000067693060 494613305 /nfs/dbraw/zinc/61/33/05/494613305.db2.gz JAPXIVAEISOBTD-OAHLLOKOSA-N 2 1 364.415 3.465 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000126079403 494630000 /nfs/dbraw/zinc/63/00/00/494630000.db2.gz OJNCVEWMVFFKLR-APWZRJJASA-N 2 1 351.485 3.359 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(F)F)CC2)CC[N@H+]1Cc1ccccc1 ZINC000126079403 494630004 /nfs/dbraw/zinc/63/00/04/494630004.db2.gz OJNCVEWMVFFKLR-APWZRJJASA-N 2 1 351.485 3.359 20 0 FGADMP O=C(c1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1)N1CCCCC1 ZINC000131700713 494703217 /nfs/dbraw/zinc/70/32/17/494703217.db2.gz LYBLICXAGOUAPD-OAQYLSRUSA-N 2 1 365.477 3.361 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000126306793 494703821 /nfs/dbraw/zinc/70/38/21/494703821.db2.gz JAUIEXWAWRKUJW-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000126306793 494703828 /nfs/dbraw/zinc/70/38/28/494703828.db2.gz JAUIEXWAWRKUJW-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000126306793 494703835 /nfs/dbraw/zinc/70/38/35/494703835.db2.gz JAUIEXWAWRKUJW-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619725 505738431 /nfs/dbraw/zinc/73/84/31/505738431.db2.gz GHYVVWLTSIJYMS-SIKLNZKXSA-N 2 1 368.521 3.415 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nnc(-c2ccco2)o1 ZINC000092821627 494764152 /nfs/dbraw/zinc/76/41/52/494764152.db2.gz RGEXGQAAGOJECA-UHFFFAOYSA-N 2 1 367.453 3.463 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000092821328 494764871 /nfs/dbraw/zinc/76/48/71/494764871.db2.gz ODTFDRQWCPNALE-UHFFFAOYSA-N 2 1 357.454 3.200 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000108884389 494798848 /nfs/dbraw/zinc/79/88/48/494798848.db2.gz IIWHGTLRNUCEDO-GOSISDBHSA-N 2 1 352.567 3.203 20 0 FGADMP CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484363 505743759 /nfs/dbraw/zinc/74/37/59/505743759.db2.gz QXAYZSLSKVOOIK-RXVVDRJESA-N 2 1 374.573 3.181 20 0 FGADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)CCCC[NH+](C)C ZINC000571484363 505743762 /nfs/dbraw/zinc/74/37/62/505743762.db2.gz QXAYZSLSKVOOIK-RXVVDRJESA-N 2 1 374.573 3.181 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000568625187 505739943 /nfs/dbraw/zinc/73/99/43/505739943.db2.gz WKMNROCTTPNHIT-GOSISDBHSA-N 2 1 367.484 3.070 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126732833 494827739 /nfs/dbraw/zinc/82/77/39/494827739.db2.gz UYDXSVUIAFBCHF-IRLDBZIGSA-N 2 1 367.537 3.371 20 0 FGADMP COc1cccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc(C)[nH+]c12 ZINC000126733050 494828212 /nfs/dbraw/zinc/82/82/12/494828212.db2.gz CCGXGSGMZWLDDK-MRXNPFEDSA-N 2 1 355.482 3.465 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)CC1 ZINC000093141720 494834499 /nfs/dbraw/zinc/83/44/99/494834499.db2.gz LYDDRDIYEVRDDL-VXKWHMMOSA-N 2 1 369.553 3.056 20 0 FGADMP O=S(=O)(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000121693770 494839602 /nfs/dbraw/zinc/83/96/02/494839602.db2.gz FBHWQBLBXKEHLK-UHFFFAOYSA-N 2 1 364.555 3.048 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000577529618 505745929 /nfs/dbraw/zinc/74/59/29/505745929.db2.gz VVKKRZINDWQVQI-VLCRHTCISA-N 2 1 365.521 3.316 20 0 FGADMP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1OC(F)F ZINC000121782410 494858670 /nfs/dbraw/zinc/85/86/70/494858670.db2.gz UAWPZMZUARKKFY-UHFFFAOYSA-N 2 1 365.424 3.485 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(C2CCCCC2)s1 ZINC000577542721 505748174 /nfs/dbraw/zinc/74/81/74/505748174.db2.gz FTXZVCHDBGGILK-UHFFFAOYSA-N 2 1 350.576 3.260 20 0 FGADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000093704873 494913343 /nfs/dbraw/zinc/91/33/43/494913343.db2.gz CWIZUPGZFDFRPK-OAQYLSRUSA-N 2 1 365.525 3.182 20 0 FGADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000093704873 494913347 /nfs/dbraw/zinc/91/33/47/494913347.db2.gz CWIZUPGZFDFRPK-OAQYLSRUSA-N 2 1 365.525 3.182 20 0 FGADMP CCn1c2ccccc2nc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735208 494915402 /nfs/dbraw/zinc/91/54/02/494915402.db2.gz AFYOOLQRASYORE-UHFFFAOYSA-N 2 1 356.514 3.133 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132752344 494918661 /nfs/dbraw/zinc/91/86/61/494918661.db2.gz NLGVWEHQFIQTLB-DENIHFKCSA-N 2 1 359.558 3.382 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000093844524 494926961 /nfs/dbraw/zinc/92/69/61/494926961.db2.gz MFPBIJNITWSYGM-QGZVFWFLSA-N 2 1 360.546 3.193 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(C(=O)N(C)C)[nH]2)CC1 ZINC000093844524 494926965 /nfs/dbraw/zinc/92/69/65/494926965.db2.gz MFPBIJNITWSYGM-QGZVFWFLSA-N 2 1 360.546 3.193 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000109924905 494933583 /nfs/dbraw/zinc/93/35/83/494933583.db2.gz QYDFIGSELPWSMA-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1N(C)C ZINC000093942790 494937403 /nfs/dbraw/zinc/93/74/03/494937403.db2.gz FVWPAPUJIAOQOQ-LJQANCHMSA-N 2 1 366.553 3.351 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)[NH+](C)C)cc1 ZINC000127941505 495020452 /nfs/dbraw/zinc/02/04/52/495020452.db2.gz BOJUBRVKZALGFH-WMQCIHAUSA-N 2 1 374.573 3.223 20 0 FGADMP CC1CC[NH+](CCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000097160300 495026199 /nfs/dbraw/zinc/02/61/99/495026199.db2.gz VVQZZVRWSWNRJB-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000118770735 495033381 /nfs/dbraw/zinc/03/33/81/495033381.db2.gz GPEZHSOMASNLDT-LJQANCHMSA-N 2 1 354.498 3.177 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000118770735 495033384 /nfs/dbraw/zinc/03/33/84/495033384.db2.gz GPEZHSOMASNLDT-LJQANCHMSA-N 2 1 354.498 3.177 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000111231500 495051885 /nfs/dbraw/zinc/05/18/85/495051885.db2.gz LOSMZTBZUSBKOT-JOCHJYFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc3ccccc3c2)CC1 ZINC000111231500 495051887 /nfs/dbraw/zinc/05/18/87/495051887.db2.gz LOSMZTBZUSBKOT-JOCHJYFZSA-N 2 1 367.537 3.321 20 0 FGADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)c1 ZINC000133742938 495055227 /nfs/dbraw/zinc/05/52/27/495055227.db2.gz JZSXXRSHBIFXOC-OAQYLSRUSA-N 2 1 357.542 3.429 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C)C1 ZINC000128333946 495081167 /nfs/dbraw/zinc/08/11/67/495081167.db2.gz MTTVVBYDNGVZKK-GIVPXCGWSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@H](CNC(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000111505148 495083418 /nfs/dbraw/zinc/08/34/18/495083418.db2.gz ZHLZNQIFFKUGKY-SJLPKXTDSA-N 2 1 374.554 3.171 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000128364806 495085816 /nfs/dbraw/zinc/08/58/16/495085816.db2.gz BMJHUNASDHWWHL-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000128364806 495085818 /nfs/dbraw/zinc/08/58/18/495085818.db2.gz BMJHUNASDHWWHL-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@H](C)C1 ZINC000128364806 495085819 /nfs/dbraw/zinc/08/58/19/495085819.db2.gz BMJHUNASDHWWHL-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP [NH3+][C@H](CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000577593022 505760537 /nfs/dbraw/zinc/76/05/37/505760537.db2.gz KHQUBDJUDZSWFP-MOPGFXCFSA-N 2 1 357.885 3.293 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000123220089 495098914 /nfs/dbraw/zinc/09/89/14/495098914.db2.gz DERQEOMBDBCKLP-OXJNMPFZSA-N 2 1 367.497 3.121 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1SC ZINC000128523262 495110691 /nfs/dbraw/zinc/11/06/91/495110691.db2.gz FLOWDBDMYGJFQO-INIZCTEOSA-N 2 1 351.560 3.095 20 0 FGADMP COc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000577600862 505761800 /nfs/dbraw/zinc/76/18/00/505761800.db2.gz SZNWNBDTSWWYQI-CJNGLKHVSA-N 2 1 350.409 3.345 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000128668715 495132586 /nfs/dbraw/zinc/13/25/86/495132586.db2.gz MZWJIYKKWFXIRS-OAHLLOKOSA-N 2 1 359.436 3.263 20 0 FGADMP Cc1nc(NC(=O)[C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)sc1C ZINC000123518634 495145402 /nfs/dbraw/zinc/14/54/02/495145402.db2.gz BFADKCSMXBJHNN-AWEZNQCLSA-N 2 1 352.548 3.141 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000112455685 495194455 /nfs/dbraw/zinc/19/44/55/495194455.db2.gz MEYNGIUHYSIJLJ-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000112455685 495194457 /nfs/dbraw/zinc/19/44/57/495194457.db2.gz MEYNGIUHYSIJLJ-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000112455685 495194459 /nfs/dbraw/zinc/19/44/59/495194459.db2.gz MEYNGIUHYSIJLJ-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000119617243 495202386 /nfs/dbraw/zinc/20/23/86/495202386.db2.gz HCBZXJPHRKZOSH-UNMCSNQZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119617243 495202390 /nfs/dbraw/zinc/20/23/90/495202390.db2.gz HCBZXJPHRKZOSH-UNMCSNQZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000119617243 495202392 /nfs/dbraw/zinc/20/23/92/495202392.db2.gz HCBZXJPHRKZOSH-UNMCSNQZSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+]1CCC(CCNC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000103320976 495220074 /nfs/dbraw/zinc/22/00/74/495220074.db2.gz SPKXDSWZKLKLBQ-UHFFFAOYSA-N 2 1 364.578 3.016 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119760198 495235026 /nfs/dbraw/zinc/23/50/26/495235026.db2.gz SBBPGSYGNYDTRT-UNMCSNQZSA-N 2 1 365.521 3.447 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000119883039 495261708 /nfs/dbraw/zinc/26/17/08/495261708.db2.gz AYNPHKJFNJYFFO-HXUWFJFHSA-N 2 1 369.513 3.060 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129571353 495263990 /nfs/dbraw/zinc/26/39/90/495263990.db2.gz DTBGMHUSOJUVBT-DENIHFKCSA-N 2 1 370.541 3.141 20 0 FGADMP COC[C@H]1CCC[NH+](Cc2cccc(C[N@@H+]3CCC[C@H](COC)C3)c2)C1 ZINC000112990930 495265200 /nfs/dbraw/zinc/26/52/00/495265200.db2.gz BKWDPQFNPSQRBV-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000568760263 505772392 /nfs/dbraw/zinc/77/23/92/505772392.db2.gz QEMXHTRSMBCABY-PXNSSMCTSA-N 2 1 351.494 3.176 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)CC1 ZINC000113504116 495307684 /nfs/dbraw/zinc/30/76/84/495307684.db2.gz NGJBYBIZWUOTNR-FQEVSTJZSA-N 2 1 366.509 3.086 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124717935 495332521 /nfs/dbraw/zinc/33/25/21/495332521.db2.gz HOFIBEICRORXTJ-IRLDBZIGSA-N 2 1 371.569 3.367 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000130101948 495341445 /nfs/dbraw/zinc/34/14/45/495341445.db2.gz MQYKQASGIQEULF-UHFFFAOYSA-N 2 1 371.456 3.356 20 0 FGADMP CC(C)CN(C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000130103606 495342136 /nfs/dbraw/zinc/34/21/36/495342136.db2.gz WTDWFGGHFISNKT-UHFFFAOYSA-N 2 1 360.546 3.123 20 0 FGADMP CCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000130443352 495392462 /nfs/dbraw/zinc/39/24/62/495392462.db2.gz UEAGSVZOKQOBDS-INIZCTEOSA-N 2 1 360.477 3.262 20 0 FGADMP CCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)[C@@H](C)c1ccc(F)cc1 ZINC000130443352 495392465 /nfs/dbraw/zinc/39/24/65/495392465.db2.gz UEAGSVZOKQOBDS-INIZCTEOSA-N 2 1 360.477 3.262 20 0 FGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000125552121 495461756 /nfs/dbraw/zinc/46/17/56/495461756.db2.gz AASBVLFWDSJWJD-AWEZNQCLSA-N 2 1 365.399 3.412 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000130910127 495464731 /nfs/dbraw/zinc/46/47/31/495464731.db2.gz AVCBMFKXXFJFRC-PZJWPPBQSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC000130910127 495464735 /nfs/dbraw/zinc/46/47/35/495464735.db2.gz AVCBMFKXXFJFRC-PZJWPPBQSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000130910127 495464740 /nfs/dbraw/zinc/46/47/40/495464740.db2.gz AVCBMFKXXFJFRC-PZJWPPBQSA-N 2 1 372.557 3.053 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000130910127 495464742 /nfs/dbraw/zinc/46/47/42/495464742.db2.gz AVCBMFKXXFJFRC-PZJWPPBQSA-N 2 1 372.557 3.053 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)C[C@H]1c1ccccc1 ZINC000577748463 505785068 /nfs/dbraw/zinc/78/50/68/505785068.db2.gz ZATDCJVMILXAKP-MHTWAQMVSA-N 2 1 355.526 3.345 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](N3CCCC3=O)C2)C[C@H]1c1ccccc1 ZINC000577748463 505785070 /nfs/dbraw/zinc/78/50/70/505785070.db2.gz ZATDCJVMILXAKP-MHTWAQMVSA-N 2 1 355.526 3.345 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125709538 495486678 /nfs/dbraw/zinc/48/66/78/495486678.db2.gz HEZZXTKEGBKLEW-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](CO)c1cccc(Br)c1 ZINC000125709538 495486681 /nfs/dbraw/zinc/48/66/81/495486681.db2.gz HEZZXTKEGBKLEW-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371363 495526104 /nfs/dbraw/zinc/52/61/04/495526104.db2.gz YYWKMLARJQVTSU-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(I)cc2)CC[N@H+]1C ZINC000173525201 495573242 /nfs/dbraw/zinc/57/32/42/495573242.db2.gz ZXSGEFCFMHSWKM-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525201 495573249 /nfs/dbraw/zinc/57/32/49/495573249.db2.gz ZXSGEFCFMHSWKM-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525201 495573255 /nfs/dbraw/zinc/57/32/55/495573255.db2.gz ZXSGEFCFMHSWKM-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000173525201 495573238 /nfs/dbraw/zinc/57/32/38/495573238.db2.gz ZXSGEFCFMHSWKM-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP CCCc1ccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000154320274 495579878 /nfs/dbraw/zinc/57/98/78/495579878.db2.gz ROWJUSNRSNDEPQ-WCRBZPEASA-N 2 1 355.526 3.022 20 0 FGADMP COc1cccc([C@H](C)N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000179422512 495585176 /nfs/dbraw/zinc/58/51/76/495585176.db2.gz IIMJWRQDJRQHHY-SFHVURJKSA-N 2 1 356.514 3.359 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185481652 495593256 /nfs/dbraw/zinc/59/32/56/495593256.db2.gz WERHQQSXTPTLBP-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182575411 495622630 /nfs/dbraw/zinc/62/26/30/495622630.db2.gz PTWXBUUHRQSWDT-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000158993615 495632683 /nfs/dbraw/zinc/63/26/83/495632683.db2.gz MXKNCLVKJCDSDQ-NRFANRHFSA-N 2 1 367.537 3.321 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000158993615 495632689 /nfs/dbraw/zinc/63/26/89/495632689.db2.gz MXKNCLVKJCDSDQ-NRFANRHFSA-N 2 1 367.537 3.321 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(-c2ccncc2)c1 ZINC000158997477 495634568 /nfs/dbraw/zinc/63/45/68/495634568.db2.gz SQPTXROXMNOTCJ-AVRDEDQJSA-N 2 1 353.510 3.492 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159011954 495636405 /nfs/dbraw/zinc/63/64/05/495636405.db2.gz YQCJCWISPZHLJX-QUCCMNQESA-N 2 1 354.498 3.203 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000159011954 495636411 /nfs/dbraw/zinc/63/64/11/495636411.db2.gz YQCJCWISPZHLJX-QUCCMNQESA-N 2 1 354.498 3.203 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185665043 495669949 /nfs/dbraw/zinc/66/99/49/495669949.db2.gz GYOBFZIRXMDZLQ-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)ccc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185665043 495669954 /nfs/dbraw/zinc/66/99/54/495669954.db2.gz GYOBFZIRXMDZLQ-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669356 495670875 /nfs/dbraw/zinc/67/08/75/495670875.db2.gz RVJCXIGNFOXPOK-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669356 495670876 /nfs/dbraw/zinc/67/08/76/495670876.db2.gz RVJCXIGNFOXPOK-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000182733667 495681364 /nfs/dbraw/zinc/68/13/64/495681364.db2.gz UABZDYJAGRRVQA-HNNXBMFYSA-N 2 1 352.548 3.304 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717996 495695789 /nfs/dbraw/zinc/69/57/89/495695789.db2.gz HOIGIKVCODXMDY-RBUKOAKNSA-N 2 1 351.579 3.370 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717996 495695793 /nfs/dbraw/zinc/69/57/93/495695793.db2.gz HOIGIKVCODXMDY-RBUKOAKNSA-N 2 1 351.579 3.370 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000159261146 495696327 /nfs/dbraw/zinc/69/63/27/495696327.db2.gz UNIIHZGBKVVNLS-CYBMUJFWSA-N 2 1 368.319 3.240 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185735016 495702353 /nfs/dbraw/zinc/70/23/53/495702353.db2.gz WELCGGRTYVMQNK-WSTZPKSXSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccc(CNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185735016 495702360 /nfs/dbraw/zinc/70/23/60/495702360.db2.gz WELCGGRTYVMQNK-WSTZPKSXSA-N 2 1 357.542 3.242 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823545 495708822 /nfs/dbraw/zinc/70/88/22/495708822.db2.gz IVMUIYNJFYANIB-BPQIPLTHSA-N 2 1 366.575 3.255 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000151096347 495737120 /nfs/dbraw/zinc/73/71/20/495737120.db2.gz FMBFOQJFECITDQ-MRXNPFEDSA-N 2 1 363.933 3.266 20 0 FGADMP Cc1ccc(OCCC[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)cc1C ZINC000182902165 495749108 /nfs/dbraw/zinc/74/91/08/495749108.db2.gz NBNGGXHKKFLZQK-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1ccc(OCCC[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182902165 495749116 /nfs/dbraw/zinc/74/91/16/495749116.db2.gz NBNGGXHKKFLZQK-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1ccc(OCCC[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000182902165 495749124 /nfs/dbraw/zinc/74/91/24/495749124.db2.gz NBNGGXHKKFLZQK-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc2ccccc21 ZINC000574565643 505803314 /nfs/dbraw/zinc/80/33/14/505803314.db2.gz ZGTZFNTWSQSKRW-QFBILLFUSA-N 2 1 353.466 3.010 20 0 FGADMP Cc1[nH]nc2ncc(C[N@@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000580658367 505807360 /nfs/dbraw/zinc/80/73/60/505807360.db2.gz DYYFBZGXPJNJGM-VQTJNVASSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@@H]4CC[NH+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000580658367 505807362 /nfs/dbraw/zinc/80/73/62/505807362.db2.gz DYYFBZGXPJNJGM-VQTJNVASSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@@H]4CC[N@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000580658367 505807366 /nfs/dbraw/zinc/80/73/66/505807366.db2.gz DYYFBZGXPJNJGM-VQTJNVASSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)cc12 ZINC000580658367 505807371 /nfs/dbraw/zinc/80/73/71/505807371.db2.gz DYYFBZGXPJNJGM-VQTJNVASSA-N 2 1 361.493 3.220 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccccc2)c2ccccn2)CC1 ZINC000180110217 495861271 /nfs/dbraw/zinc/86/12/71/495861271.db2.gz DSROGKUMTHBUQS-QFIPXVFZSA-N 2 1 352.526 3.178 20 0 FGADMP CN(C)C(=O)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCC1 ZINC000180139302 495875619 /nfs/dbraw/zinc/87/56/19/495875619.db2.gz TZFNQVFFTZZDIZ-SEJPIABJSA-N 2 1 369.553 3.420 20 0 FGADMP CC1(C)CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000174282799 495894177 /nfs/dbraw/zinc/89/41/77/495894177.db2.gz HZWMFWPXSWRDFB-UHFFFAOYSA-N 2 1 373.541 3.406 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177035327 495894790 /nfs/dbraw/zinc/89/47/90/495894790.db2.gz XHRIIOYZKGPJEU-ZWOKBUDYSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177035327 495894794 /nfs/dbraw/zinc/89/47/94/495894794.db2.gz XHRIIOYZKGPJEU-ZWOKBUDYSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000177035327 495894800 /nfs/dbraw/zinc/89/48/00/495894800.db2.gz XHRIIOYZKGPJEU-ZWOKBUDYSA-N 2 1 368.949 3.442 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000571768759 505810709 /nfs/dbraw/zinc/81/07/09/505810709.db2.gz NNUZOZQFEOXFIH-BHIFYINESA-N 2 1 371.569 3.429 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000180193529 495899927 /nfs/dbraw/zinc/89/99/27/495899927.db2.gz YXKPMZKXLQAVKG-NJYVYQBISA-N 2 1 351.494 3.241 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000180193529 495899933 /nfs/dbraw/zinc/89/99/33/495899933.db2.gz YXKPMZKXLQAVKG-NJYVYQBISA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000180193529 495899936 /nfs/dbraw/zinc/89/99/36/495899936.db2.gz YXKPMZKXLQAVKG-NJYVYQBISA-N 2 1 351.494 3.241 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccccc1 ZINC000180193529 495899940 /nfs/dbraw/zinc/89/99/40/495899940.db2.gz YXKPMZKXLQAVKG-NJYVYQBISA-N 2 1 351.494 3.241 20 0 FGADMP CCN(CC)C(=O)[C@H](C)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000580677073 505811285 /nfs/dbraw/zinc/81/12/85/505811285.db2.gz OAQSQQPHOQRUCH-IRXDYDNUSA-N 2 1 351.560 3.067 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000174453613 495965701 /nfs/dbraw/zinc/96/57/01/495965701.db2.gz ZHWAWQLSNMQIHH-HMXCVIKNSA-N 2 1 372.557 3.256 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000183407520 495970669 /nfs/dbraw/zinc/97/06/69/495970669.db2.gz YJLBQGMZHSUTCA-UHFFFAOYSA-N 2 1 356.470 3.121 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2F)cc1 ZINC000183672103 496072558 /nfs/dbraw/zinc/07/25/58/496072558.db2.gz OGBRMSXEYGPPJP-HNAYVOBHSA-N 2 1 369.440 3.410 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000177473753 496076064 /nfs/dbraw/zinc/07/60/64/496076064.db2.gz KUEMRGBUEXXROX-STZQEDGTSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000177473753 496076069 /nfs/dbraw/zinc/07/60/69/496076069.db2.gz KUEMRGBUEXXROX-STZQEDGTSA-N 2 1 365.521 3.459 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)CCC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000155985373 496125849 /nfs/dbraw/zinc/12/58/49/496125849.db2.gz XEOFXNLOWHFYKB-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP Cc1c([C@H](C)NC[C@H]2CC[N@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367843 496128972 /nfs/dbraw/zinc/12/89/72/496128972.db2.gz BUBIHEYTDNNRLP-DZGCQCFKSA-N 2 1 359.905 3.364 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c2ccccc2n1 ZINC000174899145 496154752 /nfs/dbraw/zinc/15/47/52/496154752.db2.gz IQTVMFDDIKKGSB-HXUWFJFHSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000174899145 496154757 /nfs/dbraw/zinc/15/47/57/496154757.db2.gz IQTVMFDDIKKGSB-HXUWFJFHSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000174899145 496154761 /nfs/dbraw/zinc/15/47/61/496154761.db2.gz IQTVMFDDIKKGSB-HXUWFJFHSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c2ccccc2n1 ZINC000174899124 496155221 /nfs/dbraw/zinc/15/52/21/496155221.db2.gz IQTVMFDDIKKGSB-FQEVSTJZSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000174899124 496155225 /nfs/dbraw/zinc/15/52/25/496155225.db2.gz IQTVMFDDIKKGSB-FQEVSTJZSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c2ccccc2n1 ZINC000174899124 496155229 /nfs/dbraw/zinc/15/52/29/496155229.db2.gz IQTVMFDDIKKGSB-FQEVSTJZSA-N 2 1 352.526 3.145 20 0 FGADMP O=C(NCc1ccccc1-n1ccnc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177693009 496161224 /nfs/dbraw/zinc/16/12/24/496161224.db2.gz JXCCVACHCHWOHB-SFHVURJKSA-N 2 1 352.482 3.143 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000152563181 496189439 /nfs/dbraw/zinc/18/94/39/496189439.db2.gz HIKHTSWOWMNXTQ-FOIQADDNSA-N 2 1 369.440 3.410 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000569006629 505828624 /nfs/dbraw/zinc/82/86/24/505828624.db2.gz CFGIJDPSFHIGSP-QGZVFWFLSA-N 2 1 361.555 3.438 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000569006629 505828626 /nfs/dbraw/zinc/82/86/26/505828626.db2.gz CFGIJDPSFHIGSP-QGZVFWFLSA-N 2 1 361.555 3.438 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000580754788 505829678 /nfs/dbraw/zinc/82/96/78/505829678.db2.gz HUFSCMHJRISOLK-CVAIRZPRSA-N 2 1 365.481 3.485 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)c3cnn(C)c3)CC2)cs1 ZINC000161766794 496234152 /nfs/dbraw/zinc/23/41/52/496234152.db2.gz OYSDPJVLJHDLBY-SFHVURJKSA-N 2 1 361.559 3.392 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000177877111 496235143 /nfs/dbraw/zinc/23/51/43/496235143.db2.gz XMJLPUOTAWLATB-ROUUACIJSA-N 2 1 360.546 3.099 20 0 FGADMP COC(=O)c1ccccc1CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101942 496294547 /nfs/dbraw/zinc/29/45/47/496294547.db2.gz VQKDUZZFHVDPQS-HXUWFJFHSA-N 2 1 366.505 3.470 20 0 FGADMP COC(=O)c1ccccc1CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187101942 496294554 /nfs/dbraw/zinc/29/45/54/496294554.db2.gz VQKDUZZFHVDPQS-HXUWFJFHSA-N 2 1 366.505 3.470 20 0 FGADMP COC(=O)c1ccccc1CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187101942 496294560 /nfs/dbraw/zinc/29/45/60/496294560.db2.gz VQKDUZZFHVDPQS-HXUWFJFHSA-N 2 1 366.505 3.470 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000178037161 496299479 /nfs/dbraw/zinc/29/94/79/496299479.db2.gz JDNTTXLCCXIYMW-RDJZCZTQSA-N 2 1 374.447 3.371 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000156641019 496300548 /nfs/dbraw/zinc/30/05/48/496300548.db2.gz RUWDVHWIYFWMRZ-HKUYNNGSSA-N 2 1 354.498 3.033 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000156641019 496300551 /nfs/dbraw/zinc/30/05/51/496300551.db2.gz RUWDVHWIYFWMRZ-HKUYNNGSSA-N 2 1 354.498 3.033 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000153112579 496357697 /nfs/dbraw/zinc/35/76/97/496357697.db2.gz KQGZSMLJOJFICC-UHFFFAOYSA-N 2 1 353.510 3.389 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000175401154 496374716 /nfs/dbraw/zinc/37/47/16/496374716.db2.gz JAYKHIMSBHRMOG-FQEVSTJZSA-N 2 1 360.546 3.153 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000178330780 496414536 /nfs/dbraw/zinc/41/45/36/496414536.db2.gz OCXCZTFLWSUDJF-UTKZUKDTSA-N 2 1 356.514 3.188 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162871101 496425836 /nfs/dbraw/zinc/42/58/36/496425836.db2.gz ZDYYCRPQQFEWFB-UTKZUKDTSA-N 2 1 350.510 3.074 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000162871101 496425840 /nfs/dbraw/zinc/42/58/40/496425840.db2.gz ZDYYCRPQQFEWFB-UTKZUKDTSA-N 2 1 350.510 3.074 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000578023067 505843706 /nfs/dbraw/zinc/84/37/06/505843706.db2.gz NXZGUXORNLEPFB-KRWDZBQOSA-N 2 1 351.922 3.181 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1)c1ccccc1 ZINC000184566576 496442572 /nfs/dbraw/zinc/44/25/72/496442572.db2.gz YVTVJQATZMHCEW-RTWAWAEBSA-N 2 1 351.494 3.243 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)c2)CCO1 ZINC000181572938 496450933 /nfs/dbraw/zinc/45/09/33/496450933.db2.gz SVNTYSBTRJVTHF-RCOXNQKVSA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)c2)CCO1 ZINC000181572938 496450938 /nfs/dbraw/zinc/45/09/38/496450938.db2.gz SVNTYSBTRJVTHF-RCOXNQKVSA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000175641935 496478924 /nfs/dbraw/zinc/47/89/24/496478924.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000175641935 496478925 /nfs/dbraw/zinc/47/89/25/496478925.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000175641935 496478928 /nfs/dbraw/zinc/47/89/28/496478928.db2.gz QNTQDWKCCSDOGA-VURPSTOHSA-N 2 1 372.557 3.164 20 0 FGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(Br)c1 ZINC000178522584 496485763 /nfs/dbraw/zinc/48/57/63/496485763.db2.gz LVPDCDOHULGDCN-QGZVFWFLSA-N 2 1 355.320 3.337 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000157524936 496495206 /nfs/dbraw/zinc/49/52/06/496495206.db2.gz AMSGLPGLBQORCK-NRFANRHFSA-N 2 1 374.573 3.306 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153603027 496514522 /nfs/dbraw/zinc/51/45/22/496514522.db2.gz IWXMGZYSTAQFTE-IFMALSPDSA-N 2 1 374.569 3.461 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1Cn1cccn1 ZINC000178704864 496546100 /nfs/dbraw/zinc/54/61/00/496546100.db2.gz XFPPTUUOAKAOHX-IRXDYDNUSA-N 2 1 367.497 3.432 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175791511 496546743 /nfs/dbraw/zinc/54/67/43/496546743.db2.gz CJEIGVKUGIBPTN-UHFFFAOYSA-N 2 1 364.559 3.089 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000175791511 496546749 /nfs/dbraw/zinc/54/67/49/496546749.db2.gz CJEIGVKUGIBPTN-UHFFFAOYSA-N 2 1 364.559 3.089 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000175812933 496556230 /nfs/dbraw/zinc/55/62/30/496556230.db2.gz QFKLYDZZVYXTLM-CALCHBBNSA-N 2 1 363.550 3.027 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000175812933 496556234 /nfs/dbraw/zinc/55/62/34/496556234.db2.gz QFKLYDZZVYXTLM-CALCHBBNSA-N 2 1 363.550 3.027 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000153723714 496558601 /nfs/dbraw/zinc/55/86/01/496558601.db2.gz HTOBUSBXUWOIII-CYBMUJFWSA-N 2 1 359.308 3.077 20 0 FGADMP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000178759390 496561772 /nfs/dbraw/zinc/56/17/72/496561772.db2.gz HTDHCZSPANWMPK-ZDUSSCGKSA-N 2 1 372.340 3.444 20 0 FGADMP Cc1cc(C)n2c(C[NH2+]Cc3cccc(C[N@H+](C)C(C)C)c3)cnc2n1 ZINC000178884842 496605004 /nfs/dbraw/zinc/60/50/04/496605004.db2.gz JSJPVOMLGLIICP-UHFFFAOYSA-N 2 1 351.498 3.476 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000181945536 496608208 /nfs/dbraw/zinc/60/82/08/496608208.db2.gz LOOFSHDIAWQFCW-INIZCTEOSA-N 2 1 374.447 3.251 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000153902058 496617603 /nfs/dbraw/zinc/61/76/03/496617603.db2.gz IEQHTYGBRBISSC-IRXDYDNUSA-N 2 1 367.484 3.278 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000165427613 496658656 /nfs/dbraw/zinc/65/86/56/496658656.db2.gz MTTDMRAIXHCCII-WBVHZDCISA-N 2 1 371.481 3.321 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000165427613 496658657 /nfs/dbraw/zinc/65/86/57/496658657.db2.gz MTTDMRAIXHCCII-WBVHZDCISA-N 2 1 371.481 3.321 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260512 496663302 /nfs/dbraw/zinc/66/33/02/496663302.db2.gz ZGSBATQOVPGBDV-DLBZAZTESA-N 2 1 364.555 3.395 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(CC)cc2)[NH+](C)C)C1 ZINC000173412013 496680918 /nfs/dbraw/zinc/68/09/18/496680918.db2.gz LFTWXNQNACBLTM-CTNGQTDRSA-N 2 1 374.573 3.225 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)cc2c(OC)c1 ZINC000166342838 496685055 /nfs/dbraw/zinc/68/50/55/496685055.db2.gz PRQKYXAOBLFQNG-CLCXKQKWSA-N 2 1 359.514 3.436 20 0 FGADMP COc1cc(CNC[C@H]2CCC[N@@H+]2C)cc(OC)c1OCc1ccccc1 ZINC000166380355 496685341 /nfs/dbraw/zinc/68/53/41/496685341.db2.gz NYJYAJHHHFJODY-LJQANCHMSA-N 2 1 370.493 3.467 20 0 FGADMP COc1cc(CNC[C@H]2CCC[N@H+]2C)cc(OC)c1OCc1ccccc1 ZINC000166380355 496685346 /nfs/dbraw/zinc/68/53/46/496685346.db2.gz NYJYAJHHHFJODY-LJQANCHMSA-N 2 1 370.493 3.467 20 0 FGADMP Brc1ccc(N2CC[C@@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166481681 496687707 /nfs/dbraw/zinc/68/77/07/496687707.db2.gz FKZLFSGRAOKMEU-JFIYKMOQSA-N 2 1 364.331 3.244 20 0 FGADMP C[C@@H](CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000167308240 496699907 /nfs/dbraw/zinc/69/99/07/496699907.db2.gz MORPGMHUCYPVBE-SIKLNZKXSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000168706542 496711840 /nfs/dbraw/zinc/71/18/40/496711840.db2.gz ZVZSKLIPLNJNEK-VCOUNFBDSA-N 2 1 365.521 3.303 20 0 FGADMP Cc1cc2cc([C@@H](C)[NH2+]CCCCN3CC[NH+](CCO)CC3)oc2cc1C ZINC000168899856 496712914 /nfs/dbraw/zinc/71/29/14/496712914.db2.gz VQDAQXBITPSCCY-LJQANCHMSA-N 2 1 373.541 3.090 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@@H](C)N1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000179252199 496721222 /nfs/dbraw/zinc/72/12/22/496721222.db2.gz FTLHDMJOXUNGSX-RTBURBONSA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000273192680 496735993 /nfs/dbraw/zinc/73/59/93/496735993.db2.gz JGVBKFXQAFSCPZ-GOSISDBHSA-N 2 1 357.542 3.409 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000263928717 496765122 /nfs/dbraw/zinc/76/51/22/496765122.db2.gz WXFDSMSWZJVTEY-UHFFFAOYSA-N 2 1 357.502 3.094 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)[C@H](C)C1 ZINC000247067415 496769612 /nfs/dbraw/zinc/76/96/12/496769612.db2.gz OCVHOGCYVIKHJA-HLIPFELVSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(OC)cc2OC)[C@H](C)C1 ZINC000247067415 496769613 /nfs/dbraw/zinc/76/96/13/496769613.db2.gz OCVHOGCYVIKHJA-HLIPFELVSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268778393 496782334 /nfs/dbraw/zinc/78/23/34/496782334.db2.gz SHUJMHGTLLFGLW-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268778393 496782335 /nfs/dbraw/zinc/78/23/35/496782335.db2.gz SHUJMHGTLLFGLW-WIYYLYMNSA-N 2 1 361.493 3.410 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000191494080 496783356 /nfs/dbraw/zinc/78/33/56/496783356.db2.gz VMIWEHPTHURUPY-SFHVURJKSA-N 2 1 358.461 3.102 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccccc2F)C1=O ZINC000191494080 496783360 /nfs/dbraw/zinc/78/33/60/496783360.db2.gz VMIWEHPTHURUPY-SFHVURJKSA-N 2 1 358.461 3.102 20 0 FGADMP CCC[NH+](CCC)CCC[NH2+][C@H](C)c1ccc(S(C)(=O)=O)c(OC)c1 ZINC000268799725 496789802 /nfs/dbraw/zinc/78/98/02/496789802.db2.gz AAFWLDPGPDTRIR-MRXNPFEDSA-N 2 1 370.559 3.261 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)s1 ZINC000268811161 496791889 /nfs/dbraw/zinc/79/18/89/496791889.db2.gz KVARXCAJBKFXDS-MRXNPFEDSA-N 2 1 357.523 3.295 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)cc1 ZINC000268856248 496805234 /nfs/dbraw/zinc/80/52/34/496805234.db2.gz CQFUOSKDLXQHMB-SNRMKQJTSA-N 2 1 354.498 3.478 20 0 FGADMP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268864706 496808438 /nfs/dbraw/zinc/80/84/38/496808438.db2.gz CKBHXISYENVKFX-FQEVSTJZSA-N 2 1 351.494 3.461 20 0 FGADMP Cc1noc(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894728 496817573 /nfs/dbraw/zinc/81/75/73/496817573.db2.gz NWZOTWOZSZFCNS-PMACEKPBSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894728 496817576 /nfs/dbraw/zinc/81/75/76/496817576.db2.gz NWZOTWOZSZFCNS-PMACEKPBSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000268894728 496817579 /nfs/dbraw/zinc/81/75/79/496817579.db2.gz NWZOTWOZSZFCNS-PMACEKPBSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000268894728 496817582 /nfs/dbraw/zinc/81/75/82/496817582.db2.gz NWZOTWOZSZFCNS-PMACEKPBSA-N 2 1 354.498 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)CSCc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000247259794 496817991 /nfs/dbraw/zinc/81/79/91/496817991.db2.gz DYTIBYFCRNYHIX-WMZOPIPTSA-N 2 1 374.554 3.065 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000247432347 496858271 /nfs/dbraw/zinc/85/82/71/496858271.db2.gz WQEBATIQTAYKMR-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247432347 496858274 /nfs/dbraw/zinc/85/82/74/496858274.db2.gz WQEBATIQTAYKMR-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000247432347 496858280 /nfs/dbraw/zinc/85/82/80/496858280.db2.gz WQEBATIQTAYKMR-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000247540631 496884867 /nfs/dbraw/zinc/88/48/67/496884867.db2.gz QRNSCYZFTOJYIY-OALUTQOASA-N 2 1 360.546 3.051 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C(C)(C)C ZINC000247540631 496884869 /nfs/dbraw/zinc/88/48/69/496884869.db2.gz QRNSCYZFTOJYIY-OALUTQOASA-N 2 1 360.546 3.051 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247963800 496933304 /nfs/dbraw/zinc/93/33/04/496933304.db2.gz GNSSHKRLNBSDGV-NRSPTQNISA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247963800 496933309 /nfs/dbraw/zinc/93/33/09/496933309.db2.gz GNSSHKRLNBSDGV-NRSPTQNISA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247963800 496933314 /nfs/dbraw/zinc/93/33/14/496933314.db2.gz GNSSHKRLNBSDGV-NRSPTQNISA-N 2 1 357.542 3.228 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247963800 496933316 /nfs/dbraw/zinc/93/33/16/496933316.db2.gz GNSSHKRLNBSDGV-NRSPTQNISA-N 2 1 357.542 3.228 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cn(-c3ccccc3)nn2)[C@H](C)C1 ZINC000247983201 496938704 /nfs/dbraw/zinc/93/87/04/496938704.db2.gz IOYMEMILIGUQJI-GGPKGHCWSA-N 2 1 371.529 3.055 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000248058400 496948748 /nfs/dbraw/zinc/94/87/48/496948748.db2.gz ORJBFWMSXFFIND-HKBOAZHASA-N 2 1 370.541 3.092 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248177950 496969052 /nfs/dbraw/zinc/96/90/52/496969052.db2.gz VWRHHWWORKBIEA-PZBISTMVSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248177950 496969057 /nfs/dbraw/zinc/96/90/57/496969057.db2.gz VWRHHWWORKBIEA-PZBISTMVSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248177950 496969063 /nfs/dbraw/zinc/96/90/63/496969063.db2.gz VWRHHWWORKBIEA-PZBISTMVSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248177950 496969068 /nfs/dbraw/zinc/96/90/68/496969068.db2.gz VWRHHWWORKBIEA-PZBISTMVSA-N 2 1 357.542 3.231 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000248397331 496993898 /nfs/dbraw/zinc/99/38/98/496993898.db2.gz HYDIJNPXJDXMFD-AFXVXQJMSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000248407638 496999337 /nfs/dbraw/zinc/99/93/37/496999337.db2.gz UOFSFQPHQXNTHU-QYZOEREBSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248543551 497033774 /nfs/dbraw/zinc/03/37/74/497033774.db2.gz CNXCTTLTEWITGR-SVFBPWRDSA-N 2 1 360.542 3.286 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000248734393 497093266 /nfs/dbraw/zinc/09/32/66/497093266.db2.gz NFVWWGKRWGRTNT-LPHOPBHVSA-N 2 1 361.555 3.122 20 0 FGADMP CCC[N@H+](Cc1cc(Br)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000228494381 497095049 /nfs/dbraw/zinc/09/50/49/497095049.db2.gz GVCFBGFKWMJMNT-UHFFFAOYSA-N 2 1 353.304 3.348 20 0 FGADMP CCC[N@@H+](Cc1cc(Br)cc2c1OCC2)C1CC[NH2+]CC1 ZINC000228494381 497095055 /nfs/dbraw/zinc/09/50/55/497095055.db2.gz GVCFBGFKWMJMNT-UHFFFAOYSA-N 2 1 353.304 3.348 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(Cl)c(N)c(Cl)c1 ZINC000270414762 497123001 /nfs/dbraw/zinc/12/30/01/497123001.db2.gz CVFKPYUJDXQPDA-GXTWGEPZSA-N 2 1 360.329 3.463 20 0 FGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278497588 497135183 /nfs/dbraw/zinc/13/51/83/497135183.db2.gz LJLVUAVHGOEPOI-QZTJIDSGSA-N 2 1 361.530 3.057 20 0 FGADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278497588 497135191 /nfs/dbraw/zinc/13/51/91/497135191.db2.gz LJLVUAVHGOEPOI-QZTJIDSGSA-N 2 1 361.530 3.057 20 0 FGADMP Cc1cnccc1OC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000278517729 497141052 /nfs/dbraw/zinc/14/10/52/497141052.db2.gz FSJNFEGRQQEYCX-SFHVURJKSA-N 2 1 371.525 3.414 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000278517729 497141059 /nfs/dbraw/zinc/14/10/59/497141059.db2.gz FSJNFEGRQQEYCX-SFHVURJKSA-N 2 1 371.525 3.414 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000278517729 497141068 /nfs/dbraw/zinc/14/10/68/497141068.db2.gz FSJNFEGRQQEYCX-SFHVURJKSA-N 2 1 371.525 3.414 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000248974381 497143298 /nfs/dbraw/zinc/14/32/98/497143298.db2.gz HHBAEKFGIDIMMO-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000192778474 497211905 /nfs/dbraw/zinc/21/19/05/497211905.db2.gz YSJNABXWLKXKMZ-SEJPIABJSA-N 3 1 357.542 3.122 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)N4C)CC2)cc1 ZINC000192778474 497211909 /nfs/dbraw/zinc/21/19/09/497211909.db2.gz YSJNABXWLKXKMZ-SEJPIABJSA-N 2 1 357.542 3.122 20 0 FGADMP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237269628 497213660 /nfs/dbraw/zinc/21/36/60/497213660.db2.gz LWCJBEPKTDCGGA-RTWAWAEBSA-N 2 1 351.494 3.200 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215377 /nfs/dbraw/zinc/21/53/77/497215377.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215379 /nfs/dbraw/zinc/21/53/79/497215379.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515456 497215380 /nfs/dbraw/zinc/21/53/80/497215380.db2.gz QMVNWTBWVSEIIW-FUHIMQAGSA-N 2 1 351.535 3.050 20 0 FGADMP CCc1ccc([C@H]2C[N@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC000192845926 497228224 /nfs/dbraw/zinc/22/82/24/497228224.db2.gz YLYFDCGMINTVQW-JOCHJYFZSA-N 2 1 359.558 3.038 20 0 FGADMP CCc1ccc([C@H]2C[N@@H+](CCCN3CC[NH+](C(C)C)CC3)CCO2)cc1 ZINC000192845926 497228225 /nfs/dbraw/zinc/22/82/25/497228225.db2.gz YLYFDCGMINTVQW-JOCHJYFZSA-N 2 1 359.558 3.038 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C[NH3+])c2ccccc2)C1 ZINC000237472457 497242521 /nfs/dbraw/zinc/24/25/21/497242521.db2.gz JNOALMZWHSKYBZ-GCJKJVERSA-N 2 1 365.521 3.277 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000249759870 497244384 /nfs/dbraw/zinc/24/43/84/497244384.db2.gz FXWKIGPZYNSPGJ-OALUTQOASA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1-n1cncn1 ZINC000192924061 497247650 /nfs/dbraw/zinc/24/76/50/497247650.db2.gz OVBUNKMTJZDBAA-OAQYLSRUSA-N 2 1 361.493 3.187 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2cccnc2)n1 ZINC000192932285 497250483 /nfs/dbraw/zinc/25/04/83/497250483.db2.gz PPIVNXDJUPEKDD-IBGZPJMESA-N 2 1 361.493 3.094 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250292262 497265055 /nfs/dbraw/zinc/26/50/55/497265055.db2.gz UYABDRQOUVHPIA-SFTDATJTSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000250292262 497265056 /nfs/dbraw/zinc/26/50/56/497265056.db2.gz UYABDRQOUVHPIA-SFTDATJTSA-N 2 1 360.542 3.179 20 0 FGADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000237939035 497316964 /nfs/dbraw/zinc/31/69/64/497316964.db2.gz AGANJRYKJXTELD-SFTDATJTSA-N 2 1 351.494 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000275423348 497321071 /nfs/dbraw/zinc/32/10/71/497321071.db2.gz DRZUUWFXSGDAFR-KDXIVRHGSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000275423348 497321077 /nfs/dbraw/zinc/32/10/77/497321077.db2.gz DRZUUWFXSGDAFR-KDXIVRHGSA-N 2 1 368.525 3.283 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)CC1 ZINC000279111536 497337683 /nfs/dbraw/zinc/33/76/83/497337683.db2.gz CAXLXSIFYPBEJK-RXVVDRJESA-N 2 1 357.542 3.265 20 0 FGADMP O=C(C1CC[NH2+]CC1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000238109087 497340310 /nfs/dbraw/zinc/34/03/10/497340310.db2.gz WIUBOWIKFWMUIW-UHFFFAOYSA-N 2 1 355.526 3.033 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000245404883 497389649 /nfs/dbraw/zinc/38/96/49/497389649.db2.gz QWVZSPWGAPWKJM-RTBURBONSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550162 497411401 /nfs/dbraw/zinc/41/14/01/497411401.db2.gz CBJZRYVRKBAFKE-WMLDXEAASA-N 2 1 355.320 3.193 20 0 FGADMP CCCC[C@@H](C(=O)Nc1cc(C)on1)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245447316 497413089 /nfs/dbraw/zinc/41/30/89/497413089.db2.gz LZHPKHLVKXJNKL-SJORKVTESA-N 2 1 350.507 3.287 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245466353 497420308 /nfs/dbraw/zinc/42/03/08/497420308.db2.gz RDIKAWWXRGUYSO-LNLFQRSKSA-N 2 1 364.530 3.491 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2nccnc2C)cc1OC ZINC000275829785 497442283 /nfs/dbraw/zinc/44/22/83/497442283.db2.gz HPCDKRPGMYDUSB-KRWDZBQOSA-N 2 1 372.513 3.365 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[NH+]2CCC(C)CC2)[nH+]c1 ZINC000193741277 497464427 /nfs/dbraw/zinc/46/44/27/497464427.db2.gz CUJCGYWSACNIIT-UHFFFAOYSA-N 2 1 361.534 3.003 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000572181065 505908597 /nfs/dbraw/zinc/90/85/97/505908597.db2.gz KMHNXCYJFMBKAF-NJAFHUGGSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000572181065 505908600 /nfs/dbraw/zinc/90/86/00/505908600.db2.gz KMHNXCYJFMBKAF-NJAFHUGGSA-N 2 1 355.448 3.266 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000245607341 497471479 /nfs/dbraw/zinc/47/14/79/497471479.db2.gz APLNWQAHUUAZEA-GIVPXCGWSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000245607341 497471486 /nfs/dbraw/zinc/47/14/86/497471486.db2.gz APLNWQAHUUAZEA-GIVPXCGWSA-N 2 1 372.557 3.099 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245666860 497493420 /nfs/dbraw/zinc/49/34/20/497493420.db2.gz GTIHSRJLZIYHEP-WKCHPHFGSA-N 2 1 352.526 3.365 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000245665320 497493973 /nfs/dbraw/zinc/49/39/73/497493973.db2.gz QWTPADNXIWIOFR-GIVPXCGWSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000245665320 497493980 /nfs/dbraw/zinc/49/39/80/497493980.db2.gz QWTPADNXIWIOFR-GIVPXCGWSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000245665320 497493987 /nfs/dbraw/zinc/49/39/87/497493987.db2.gz QWTPADNXIWIOFR-GIVPXCGWSA-N 2 1 372.557 3.386 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000262133718 497513270 /nfs/dbraw/zinc/51/32/70/497513270.db2.gz NIFPJJNSWDWYIC-WIYYLYMNSA-N 2 1 371.550 3.481 20 0 FGADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000262133718 497513275 /nfs/dbraw/zinc/51/32/75/497513275.db2.gz NIFPJJNSWDWYIC-WIYYLYMNSA-N 2 1 371.550 3.481 20 0 FGADMP c1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000262130420 497513744 /nfs/dbraw/zinc/51/37/44/497513744.db2.gz YCHMABSBOTVTCP-QFIPXVFZSA-N 2 1 359.477 3.120 20 0 FGADMP c1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1-c1ccccc1 ZINC000262130420 497513749 /nfs/dbraw/zinc/51/37/49/497513749.db2.gz YCHMABSBOTVTCP-QFIPXVFZSA-N 2 1 359.477 3.120 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2ccc(OC)cn2)CC1 ZINC000272032616 497518572 /nfs/dbraw/zinc/51/85/72/497518572.db2.gz NCCVEQKMUHQSEB-MRXNPFEDSA-N 2 1 372.488 3.222 20 0 FGADMP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)N1CCCCC1 ZINC000245729667 497519180 /nfs/dbraw/zinc/51/91/80/497519180.db2.gz QATBLEYKBBPXBP-WKCHPHFGSA-N 2 1 355.526 3.174 20 0 FGADMP CC(C)(CNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000193929497 497523183 /nfs/dbraw/zinc/52/31/83/497523183.db2.gz MUEMOBOMZWSZJJ-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000193993362 497542110 /nfs/dbraw/zinc/54/21/10/497542110.db2.gz ZBLFRNHDZXFULR-BRKWEVRTSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000193993362 497542116 /nfs/dbraw/zinc/54/21/16/497542116.db2.gz ZBLFRNHDZXFULR-BRKWEVRTSA-N 2 1 370.537 3.345 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000279860024 497567144 /nfs/dbraw/zinc/56/71/44/497567144.db2.gz SMWJTAVAQBOAOX-BXXSPATCSA-N 2 1 369.553 3.135 20 0 FGADMP C[NH+](Cc1cccc(C[N@@H+](C)C[C@H]2CCCOC2)c1)C[C@H]1CCCOC1 ZINC000245929560 497574775 /nfs/dbraw/zinc/57/47/75/497574775.db2.gz PLUHKUWFODIWDR-FGZHOGPDSA-N 2 1 360.542 3.403 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000245956530 497583078 /nfs/dbraw/zinc/58/30/78/497583078.db2.gz CSBVSOOTKDMKFD-SFHVURJKSA-N 2 1 366.347 3.054 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)c2)CCO1 ZINC000245966531 497586096 /nfs/dbraw/zinc/58/60/96/497586096.db2.gz ZBLFRNHDZXFULR-CIQXWFTPSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)c2)CCO1 ZINC000245966531 497586102 /nfs/dbraw/zinc/58/61/02/497586102.db2.gz ZBLFRNHDZXFULR-CIQXWFTPSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000581132703 505917178 /nfs/dbraw/zinc/91/71/78/505917178.db2.gz MMNKSXQFBSXUPF-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)N2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)on1 ZINC000246070395 497611384 /nfs/dbraw/zinc/61/13/84/497611384.db2.gz SDJQMPJDGOLSLT-IAGOWNOFSA-N 2 1 362.518 3.287 20 0 FGADMP C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000246109650 497625224 /nfs/dbraw/zinc/62/52/24/497625224.db2.gz DRKNUCIIBSJANS-ROUUACIJSA-N 2 1 357.542 3.016 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272463097 497635106 /nfs/dbraw/zinc/63/51/06/497635106.db2.gz KPEAEMZLYSJHTE-UWJYYQICSA-N 2 1 351.494 3.046 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851595 497637064 /nfs/dbraw/zinc/63/70/64/497637064.db2.gz KDBVEYOSGONOHG-WZONZLPQSA-N 2 1 365.521 3.409 20 0 FGADMP C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529236 497652900 /nfs/dbraw/zinc/65/29/00/497652900.db2.gz AIIJNQRUSDOVKH-IEBWSBKVSA-N 2 1 369.484 3.056 20 0 FGADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)ccc1C ZINC000194413513 497658307 /nfs/dbraw/zinc/65/83/07/497658307.db2.gz DFIYUSFICFEIFI-NRFANRHFSA-N 2 1 354.494 3.250 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000272667993 497696456 /nfs/dbraw/zinc/69/64/56/497696456.db2.gz JNYLBXPIINAFQZ-XUVXKRRUSA-N 2 1 354.498 3.201 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000272667983 497696951 /nfs/dbraw/zinc/69/69/51/497696951.db2.gz JNYLBXPIINAFQZ-SLFFLAALSA-N 2 1 354.498 3.201 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246329921 497697735 /nfs/dbraw/zinc/69/77/35/497697735.db2.gz FZTXDPKCEJXGJP-IAGOWNOFSA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000246329921 497697737 /nfs/dbraw/zinc/69/77/37/497697737.db2.gz FZTXDPKCEJXGJP-IAGOWNOFSA-N 2 1 352.544 3.109 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272672766 497697803 /nfs/dbraw/zinc/69/78/03/497697803.db2.gz PYJKHURBSPSPKH-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c2)n1 ZINC000276979256 497706126 /nfs/dbraw/zinc/70/61/26/497706126.db2.gz YZMJPLWHCCUQKN-CJNGLKHVSA-N 2 1 359.495 3.169 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000246380750 497714906 /nfs/dbraw/zinc/71/49/06/497714906.db2.gz HPDCILBTUXGVRD-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246393464 497719242 /nfs/dbraw/zinc/71/92/42/497719242.db2.gz SNLXBRZIFHLUJZ-QCFAMHMHSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246393464 497719244 /nfs/dbraw/zinc/71/92/44/497719244.db2.gz SNLXBRZIFHLUJZ-QCFAMHMHSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246393464 497719248 /nfs/dbraw/zinc/71/92/48/497719248.db2.gz SNLXBRZIFHLUJZ-QCFAMHMHSA-N 2 1 372.557 3.021 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000246422784 497729952 /nfs/dbraw/zinc/72/99/52/497729952.db2.gz NHQUTAGPMZUQAA-IAOVAPTHSA-N 2 1 351.560 3.432 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263281777 497748483 /nfs/dbraw/zinc/74/84/83/497748483.db2.gz UJSBWRCTYZCJTD-PIPMEXSNSA-N 2 1 357.542 3.442 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCC[C@@H](CC)C2)C1 ZINC000246505999 497756952 /nfs/dbraw/zinc/75/69/52/497756952.db2.gz WVNCGYIYXICDHO-RTBURBONSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](CC)C2)C1 ZINC000246505999 497756959 /nfs/dbraw/zinc/75/69/59/497756959.db2.gz WVNCGYIYXICDHO-RTBURBONSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)C1 ZINC000246505999 497756962 /nfs/dbraw/zinc/75/69/62/497756962.db2.gz WVNCGYIYXICDHO-RTBURBONSA-N 2 1 366.594 3.260 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000194772529 497765947 /nfs/dbraw/zinc/76/59/47/497765947.db2.gz JHCWAAOMSIDZBY-UHFFFAOYSA-N 2 1 351.494 3.144 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229251 497783524 /nfs/dbraw/zinc/78/35/24/497783524.db2.gz OPARCIWBONVAAF-ZYSHUDEJSA-N 2 1 354.922 3.195 20 0 FGADMP CCOc1cc(C[NH2+]CCn2cc[nH+]c2C)ccc1OCC(F)(F)F ZINC000263711822 497810472 /nfs/dbraw/zinc/81/04/72/497810472.db2.gz ULVZKQQTYDOPJM-UHFFFAOYSA-N 2 1 357.376 3.321 20 0 FGADMP Cc1ccc(-c2noc(CCC[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)n2)cc1F ZINC000292057327 497859511 /nfs/dbraw/zinc/85/95/11/497859511.db2.gz CFIZLBFXDKGTPW-FQEVSTJZSA-N 2 1 358.461 3.144 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292057327 497859520 /nfs/dbraw/zinc/85/95/20/497859520.db2.gz CFIZLBFXDKGTPW-FQEVSTJZSA-N 2 1 358.461 3.144 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)n2)cc1F ZINC000292057327 497859528 /nfs/dbraw/zinc/85/95/28/497859528.db2.gz CFIZLBFXDKGTPW-FQEVSTJZSA-N 2 1 358.461 3.144 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1 ZINC000280706871 497866882 /nfs/dbraw/zinc/86/68/82/497866882.db2.gz AZRHURXSRPJDBL-UHFFFAOYSA-N 2 1 351.494 3.318 20 0 FGADMP CC(C)(C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000569452768 505939579 /nfs/dbraw/zinc/93/95/79/505939579.db2.gz QVPRCIXSNYFZHA-RTWAWAEBSA-N 2 1 365.521 3.493 20 0 FGADMP COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000578441801 505940871 /nfs/dbraw/zinc/94/08/71/505940871.db2.gz BSADHCLRHPUKRS-UYAOXDASSA-N 2 1 373.541 3.246 20 0 FGADMP C[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000364292291 497884161 /nfs/dbraw/zinc/88/41/61/497884161.db2.gz QLXZTYSDOIRVKM-SFHVURJKSA-N 2 1 357.542 3.103 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119685 497887119 /nfs/dbraw/zinc/88/71/19/497887119.db2.gz KDLABJAYYHXNRH-QGZVFWFLSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119685 497887127 /nfs/dbraw/zinc/88/71/27/497887127.db2.gz KDLABJAYYHXNRH-QGZVFWFLSA-N 2 1 355.404 3.062 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000292119685 497887132 /nfs/dbraw/zinc/88/71/32/497887132.db2.gz KDLABJAYYHXNRH-QGZVFWFLSA-N 2 1 355.404 3.062 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000280771753 497893204 /nfs/dbraw/zinc/89/32/04/497893204.db2.gz FDZYGPUQLYIALU-ZIFCJYIRSA-N 2 1 364.530 3.022 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H]1C ZINC000280813134 497908142 /nfs/dbraw/zinc/90/81/42/497908142.db2.gz IHTHUBXBHBAHEC-PBASOCQRSA-N 2 1 358.526 3.118 20 0 FGADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000575243584 505950104 /nfs/dbraw/zinc/95/01/04/505950104.db2.gz OTXOCNJJJYDMNV-KAOXLYBCSA-N 2 1 365.521 3.400 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Cc1ccc(F)cc1 ZINC000578486971 505951704 /nfs/dbraw/zinc/95/17/04/505951704.db2.gz COBZFXPPRNDUCB-QFIPXVFZSA-N 2 1 356.485 3.026 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506753 505956707 /nfs/dbraw/zinc/95/67/07/505956707.db2.gz XNRDGKCINGLHOT-AZUAARDMSA-N 2 1 357.542 3.326 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578506753 505956708 /nfs/dbraw/zinc/95/67/08/505956708.db2.gz XNRDGKCINGLHOT-AZUAARDMSA-N 2 1 357.542 3.326 20 0 FGADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c(OC)c1 ZINC000572410162 505962190 /nfs/dbraw/zinc/96/21/90/505962190.db2.gz QCGOBTTXOPDDEY-KKXDTOCCSA-N 2 1 373.522 3.387 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c(OC)c1 ZINC000572410162 505962195 /nfs/dbraw/zinc/96/21/95/505962195.db2.gz QCGOBTTXOPDDEY-KKXDTOCCSA-N 2 1 373.522 3.387 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@H]2C[N@@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350362683 498087970 /nfs/dbraw/zinc/08/79/70/498087970.db2.gz VQXPSJZBLJPLTP-APWZRJJASA-N 2 1 350.507 3.050 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@H]2C[N@H+]3CCC[C@@]3(C)CO2)no1 ZINC000350362683 498087975 /nfs/dbraw/zinc/08/79/75/498087975.db2.gz VQXPSJZBLJPLTP-APWZRJJASA-N 2 1 350.507 3.050 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@@H]2C[N@@H+]3CCC[C@]3(C)CO2)no1 ZINC000350362685 498088096 /nfs/dbraw/zinc/08/80/96/498088096.db2.gz VQXPSJZBLJPLTP-QFBILLFUSA-N 2 1 350.507 3.050 20 0 FGADMP CCC[NH+](CCC)CCCc1nc([C@@H]2C[N@H+]3CCC[C@]3(C)CO2)no1 ZINC000350362685 498088100 /nfs/dbraw/zinc/08/81/00/498088100.db2.gz VQXPSJZBLJPLTP-QFBILLFUSA-N 2 1 350.507 3.050 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC12CCOCC2 ZINC000578627936 505984612 /nfs/dbraw/zinc/98/46/12/505984612.db2.gz PYIKMAOHSCKJCO-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Cl)cc3)o2)CC12CCOCC2 ZINC000578627936 505984613 /nfs/dbraw/zinc/98/46/13/505984613.db2.gz PYIKMAOHSCKJCO-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285582339 498136725 /nfs/dbraw/zinc/13/67/25/498136725.db2.gz UBSVTPYKIGYBMB-VFSICIBPSA-N 2 1 372.431 3.002 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285582339 498136729 /nfs/dbraw/zinc/13/67/29/498136729.db2.gz UBSVTPYKIGYBMB-VFSICIBPSA-N 2 1 372.431 3.002 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000581422395 505985703 /nfs/dbraw/zinc/98/57/03/505985703.db2.gz CZFNJRBMMWWFCY-UHFFFAOYSA-N 2 1 361.530 3.466 20 0 FGADMP CCOc1ccc(C(C)=O)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000292912905 498194659 /nfs/dbraw/zinc/19/46/59/498194659.db2.gz BFJSEFJKVRJNDW-WCRBZPEASA-N 2 1 374.525 3.362 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292955723 498210941 /nfs/dbraw/zinc/21/09/41/498210941.db2.gz KYFVPMHJWCMULC-OAQYLSRUSA-N 2 1 362.514 3.281 20 0 FGADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572566004 505998715 /nfs/dbraw/zinc/99/87/15/505998715.db2.gz VOFDABLFBVUQJN-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572566004 505998716 /nfs/dbraw/zinc/99/87/16/505998716.db2.gz VOFDABLFBVUQJN-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572566004 505998720 /nfs/dbraw/zinc/99/87/20/505998720.db2.gz VOFDABLFBVUQJN-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000572566004 505998723 /nfs/dbraw/zinc/99/87/23/505998723.db2.gz VOFDABLFBVUQJN-FCHUYYIVSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566006 505998967 /nfs/dbraw/zinc/99/89/67/505998967.db2.gz VOFDABLFBVUQJN-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566006 505998970 /nfs/dbraw/zinc/99/89/70/505998970.db2.gz VOFDABLFBVUQJN-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566006 505998971 /nfs/dbraw/zinc/99/89/71/505998971.db2.gz VOFDABLFBVUQJN-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000572566006 505998976 /nfs/dbraw/zinc/99/89/76/505998976.db2.gz VOFDABLFBVUQJN-VXKWHMMOSA-N 2 1 364.489 3.427 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285865531 498223924 /nfs/dbraw/zinc/22/39/24/498223924.db2.gz YPYNGUWPSCTLLJ-IXDOHACOSA-N 2 1 354.498 3.099 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000285865531 498223921 /nfs/dbraw/zinc/22/39/21/498223921.db2.gz YPYNGUWPSCTLLJ-IXDOHACOSA-N 2 1 354.498 3.099 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000359990212 498234218 /nfs/dbraw/zinc/23/42/18/498234218.db2.gz AQRXMUZPFLZBEW-HUUCEWRRSA-N 2 1 363.303 3.122 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000359990212 498234225 /nfs/dbraw/zinc/23/42/25/498234225.db2.gz AQRXMUZPFLZBEW-HUUCEWRRSA-N 2 1 363.303 3.122 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285971490 498256347 /nfs/dbraw/zinc/25/63/47/498256347.db2.gz HFEVFYYQWJHTIL-OAHLLOKOSA-N 2 1 357.498 3.465 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285990243 498260490 /nfs/dbraw/zinc/26/04/90/498260490.db2.gz GZFYWWXVFCHEGJ-UXLLHSPISA-N 2 1 357.498 3.321 20 0 FGADMP C[C@H]1C[C@@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169923 498292370 /nfs/dbraw/zinc/29/23/70/498292370.db2.gz WCQLQFOQHRCSFT-DZFGPLHGSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169923 498292378 /nfs/dbraw/zinc/29/23/78/498292378.db2.gz WCQLQFOQHRCSFT-DZFGPLHGSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@H]1C[C@@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169923 498292381 /nfs/dbraw/zinc/29/23/81/498292381.db2.gz WCQLQFOQHRCSFT-DZFGPLHGSA-N 2 1 351.494 3.246 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661594 498294106 /nfs/dbraw/zinc/29/41/06/498294106.db2.gz LEGAHGDVHCFYAU-UGKGYDQZSA-N 2 1 357.542 3.438 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000572613890 506012245 /nfs/dbraw/zinc/01/22/45/506012245.db2.gz PSZIESFALBINEF-MRXNPFEDSA-N 2 1 373.476 3.026 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000572613890 506012247 /nfs/dbraw/zinc/01/22/47/506012247.db2.gz PSZIESFALBINEF-MRXNPFEDSA-N 2 1 373.476 3.026 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000572613890 506012250 /nfs/dbraw/zinc/01/22/50/506012250.db2.gz PSZIESFALBINEF-MRXNPFEDSA-N 2 1 373.476 3.026 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778099 498308904 /nfs/dbraw/zinc/30/89/04/498308904.db2.gz UHDHJGAPOHFICH-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778099 498308907 /nfs/dbraw/zinc/30/89/07/498308907.db2.gz UHDHJGAPOHFICH-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778099 498308910 /nfs/dbraw/zinc/30/89/10/498308910.db2.gz UHDHJGAPOHFICH-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778099 498308915 /nfs/dbraw/zinc/30/89/15/498308915.db2.gz UHDHJGAPOHFICH-LSWJPFSZSA-N 2 1 373.504 3.217 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](CCCOC)c2ccc(F)cc2)CC1 ZINC000281921310 498319618 /nfs/dbraw/zinc/31/96/18/498319618.db2.gz JLNNHXLMWUTSNQ-OAQYLSRUSA-N 2 1 365.537 3.301 20 0 FGADMP Cc1nn2c(C[NH2+][C@H](C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125521 498348462 /nfs/dbraw/zinc/34/84/62/498348462.db2.gz SWOMVPRQNDWZBB-RDTXWAMCSA-N 2 1 369.538 3.408 20 0 FGADMP Cc1nn2c(C[NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125521 498348469 /nfs/dbraw/zinc/34/84/69/498348469.db2.gz SWOMVPRQNDWZBB-RDTXWAMCSA-N 2 1 369.538 3.408 20 0 FGADMP CC(C)n1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1 ZINC000293334501 498350605 /nfs/dbraw/zinc/35/06/05/498350605.db2.gz MVQVYMRHGCWOTE-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP CC(C)n1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nn1 ZINC000293334501 498350609 /nfs/dbraw/zinc/35/06/09/498350609.db2.gz MVQVYMRHGCWOTE-UHFFFAOYSA-N 2 1 353.514 3.347 20 0 FGADMP COc1ccc([C@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC[NH+]2C)cc1 ZINC000365236262 498366576 /nfs/dbraw/zinc/36/65/76/498366576.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@@H+]2C)cc1 ZINC000365236262 498366584 /nfs/dbraw/zinc/36/65/84/498366584.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@H+]2C)cc1 ZINC000365236262 498366588 /nfs/dbraw/zinc/36/65/88/498366588.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCCN2C)cc1 ZINC000365236262 498366594 /nfs/dbraw/zinc/36/65/94/498366594.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@H]2[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCCN2C)cc1 ZINC000365236262 498366601 /nfs/dbraw/zinc/36/66/01/498366601.db2.gz SLUWCCOPPPQCTL-XFMLVYLPSA-N 2 1 357.542 3.293 20 0 FGADMP c1c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc2ncccn12 ZINC000293412810 498376274 /nfs/dbraw/zinc/37/62/74/498376274.db2.gz SDFSOMQKEOZLER-UHFFFAOYSA-N 2 1 361.493 3.217 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000297253543 498378313 /nfs/dbraw/zinc/37/83/13/498378313.db2.gz VNEDOEZLEDJDBC-BGYRXZFFSA-N 2 1 357.542 3.140 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCCC(=O)c2ccccc2)CC1 ZINC000297253543 498378316 /nfs/dbraw/zinc/37/83/16/498378316.db2.gz VNEDOEZLEDJDBC-BGYRXZFFSA-N 2 1 357.542 3.140 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4nc(C5CC5)no4)C3)CC2)cc1 ZINC000293420559 498379604 /nfs/dbraw/zinc/37/96/04/498379604.db2.gz STDLITWTLHDBCP-UHFFFAOYSA-N 2 1 352.482 3.435 20 0 FGADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4nc(C5CC5)no4)C3)CC2)cc1 ZINC000293420559 498379607 /nfs/dbraw/zinc/37/96/07/498379607.db2.gz STDLITWTLHDBCP-UHFFFAOYSA-N 2 1 352.482 3.435 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)cn1 ZINC000289996961 498388455 /nfs/dbraw/zinc/38/84/55/498388455.db2.gz YSAAOLLFQLAOTI-HNNXBMFYSA-N 2 1 373.501 3.359 20 0 FGADMP Cc1[nH+]c2ccccc2c(NC[C@@]2([NH+]3CCOCC3)CCSC2)c1C ZINC000302068215 498394070 /nfs/dbraw/zinc/39/40/70/498394070.db2.gz FWELCOZWMDDURR-FQEVSTJZSA-N 2 1 357.523 3.471 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000282166559 498407795 /nfs/dbraw/zinc/40/77/95/498407795.db2.gz UUTUXBVOUGLGSA-YLJYHZDGSA-N 2 1 364.493 3.352 20 0 FGADMP CCOc1cc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc(Br)c1O ZINC000297447831 498452341 /nfs/dbraw/zinc/45/23/41/498452341.db2.gz OWOQRMYWIVDDNR-SWLSCSKDSA-N 2 1 371.319 3.325 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000290183238 498454706 /nfs/dbraw/zinc/45/47/06/498454706.db2.gz FLRDRBLMHXJJAP-SJORKVTESA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000290183238 498454710 /nfs/dbraw/zinc/45/47/10/498454710.db2.gz FLRDRBLMHXJJAP-SJORKVTESA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000290183238 498454718 /nfs/dbraw/zinc/45/47/18/498454718.db2.gz FLRDRBLMHXJJAP-SJORKVTESA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000290183238 498454723 /nfs/dbraw/zinc/45/47/23/498454723.db2.gz FLRDRBLMHXJJAP-SJORKVTESA-N 2 1 350.503 3.277 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(-c2ccncc2)s1 ZINC000575956250 506041000 /nfs/dbraw/zinc/04/10/00/506041000.db2.gz QEOYEOLZBWHHLM-GOSISDBHSA-N 2 1 373.570 3.053 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCOC1 ZINC000581681330 506043531 /nfs/dbraw/zinc/04/35/31/506043531.db2.gz KSKPQHNIMRYIBG-BDTNDASRSA-N 2 1 372.553 3.320 20 0 FGADMP C[N@H+](CCOc1ccc(F)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000362327908 498497957 /nfs/dbraw/zinc/49/79/57/498497957.db2.gz VDJUPTXGFHQXEH-UHFFFAOYSA-N 2 1 370.896 3.433 20 0 FGADMP C[N@@H+](CCOc1ccc(F)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000362327908 498497967 /nfs/dbraw/zinc/49/79/67/498497967.db2.gz VDJUPTXGFHQXEH-UHFFFAOYSA-N 2 1 370.896 3.433 20 0 FGADMP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333294 498512369 /nfs/dbraw/zinc/51/23/69/498512369.db2.gz DWTQYLYECJDUEQ-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333294 498512376 /nfs/dbraw/zinc/51/23/76/498512376.db2.gz DWTQYLYECJDUEQ-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333294 498512379 /nfs/dbraw/zinc/51/23/79/498512379.db2.gz DWTQYLYECJDUEQ-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000290333294 498512385 /nfs/dbraw/zinc/51/23/85/498512385.db2.gz DWTQYLYECJDUEQ-YLJYHZDGSA-N 2 1 369.509 3.441 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000581715221 506052014 /nfs/dbraw/zinc/05/20/14/506052014.db2.gz HGYAHHYVCARXMW-MOPGFXCFSA-N 2 1 372.557 3.189 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c1 ZINC000290456806 498559722 /nfs/dbraw/zinc/55/97/22/498559722.db2.gz WHRDZVMMPDAEMD-INIZCTEOSA-N 2 1 373.497 3.280 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000581726847 506054516 /nfs/dbraw/zinc/05/45/16/506054516.db2.gz MDYCAFNRXJJXRA-HOJAQTOUSA-N 2 1 374.912 3.114 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](Oc2ccccc2Cl)C1 ZINC000581726847 506054519 /nfs/dbraw/zinc/05/45/19/506054519.db2.gz MDYCAFNRXJJXRA-HOJAQTOUSA-N 2 1 374.912 3.114 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nn2)C1 ZINC000365626710 498564245 /nfs/dbraw/zinc/56/42/45/498564245.db2.gz JJZKTBULFMJTHZ-AWEZNQCLSA-N 2 1 356.861 3.034 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000362943294 498584849 /nfs/dbraw/zinc/58/48/49/498584849.db2.gz UESJHLLDBULTBT-RDJZCZTQSA-N 2 1 353.457 3.061 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000362943294 498584857 /nfs/dbraw/zinc/58/48/57/498584857.db2.gz UESJHLLDBULTBT-RDJZCZTQSA-N 2 1 353.457 3.061 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000572824153 506061389 /nfs/dbraw/zinc/06/13/89/506061389.db2.gz FTDXNWZDWCWJIW-SFHVURJKSA-N 2 1 372.557 3.250 20 0 FGADMP C[N@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C1CCCC1 ZINC000302874062 498610676 /nfs/dbraw/zinc/61/06/76/498610676.db2.gz BIXZCULFAQMOJV-UHFFFAOYSA-N 2 1 365.521 3.358 20 0 FGADMP C[N@@H+](CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1)C1CCCC1 ZINC000302874062 498610681 /nfs/dbraw/zinc/61/06/81/498610681.db2.gz BIXZCULFAQMOJV-UHFFFAOYSA-N 2 1 365.521 3.358 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)C3(C)CC[NH+](Cc4ccccc4)CC3)C2)C1 ZINC000294367036 498672144 /nfs/dbraw/zinc/67/21/44/498672144.db2.gz ZFOQUDANHYCVAH-HSZRJFAPSA-N 2 1 369.553 3.233 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000303485518 498680299 /nfs/dbraw/zinc/68/02/99/498680299.db2.gz QYUWGBGXRUBGHW-HXUWFJFHSA-N 2 1 374.573 3.318 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c(F)cn1 ZINC000287265598 498694728 /nfs/dbraw/zinc/69/47/28/498694728.db2.gz ARFVJIMCPYWPSX-CRAIPNDOSA-N 2 1 373.472 3.037 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c(F)cn1 ZINC000287265598 498694735 /nfs/dbraw/zinc/69/47/35/498694735.db2.gz ARFVJIMCPYWPSX-CRAIPNDOSA-N 2 1 373.472 3.037 20 0 FGADMP C[C@H]1CCC[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365911697 498696391 /nfs/dbraw/zinc/69/63/91/498696391.db2.gz LEZRCXFBKBDFCF-AZUAARDMSA-N 2 1 363.590 3.467 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000576106860 506078611 /nfs/dbraw/zinc/07/86/11/506078611.db2.gz RDPUZFBFCKGRLO-OAQYLSRUSA-N 2 1 363.505 3.203 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccccc1 ZINC000576106860 506078614 /nfs/dbraw/zinc/07/86/14/506078614.db2.gz RDPUZFBFCKGRLO-OAQYLSRUSA-N 2 1 363.505 3.203 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311817064 498753627 /nfs/dbraw/zinc/75/36/27/498753627.db2.gz MMQKTQQXAUCRFB-YLJYHZDGSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311817064 498753631 /nfs/dbraw/zinc/75/36/31/498753631.db2.gz MMQKTQQXAUCRFB-YLJYHZDGSA-N 2 1 352.478 3.458 20 0 FGADMP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902115 498757105 /nfs/dbraw/zinc/75/71/05/498757105.db2.gz FYJCGCUVUFWHDX-CTNGQTDRSA-N 2 1 351.494 3.105 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312112562 498758844 /nfs/dbraw/zinc/75/88/44/498758844.db2.gz NBVLUUDFWBNLHU-CEWLAPEOSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312112562 498758847 /nfs/dbraw/zinc/75/88/47/498758847.db2.gz NBVLUUDFWBNLHU-CEWLAPEOSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312112562 498758851 /nfs/dbraw/zinc/75/88/51/498758851.db2.gz NBVLUUDFWBNLHU-CEWLAPEOSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000312112562 498758853 /nfs/dbraw/zinc/75/88/53/498758853.db2.gz NBVLUUDFWBNLHU-CEWLAPEOSA-N 2 1 357.542 3.135 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000287468109 498767399 /nfs/dbraw/zinc/76/73/99/498767399.db2.gz MFVNMPVFKIZHFM-YASKCIBGSA-N 2 1 360.567 3.178 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000298463721 498780712 /nfs/dbraw/zinc/78/07/12/498780712.db2.gz IFNMDWVKSJBDFH-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cccc(OC)c1 ZINC000298463721 498780716 /nfs/dbraw/zinc/78/07/16/498780716.db2.gz IFNMDWVKSJBDFH-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c(F)cn1 ZINC000287551256 498795485 /nfs/dbraw/zinc/79/54/85/498795485.db2.gz FRRKUCOVNCXMGM-HNNXBMFYSA-N 2 1 373.472 3.037 20 0 FGADMP CCCN(C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000572970104 506092863 /nfs/dbraw/zinc/09/28/63/506092863.db2.gz NZDFLKAUCBDCEY-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000283196866 498813363 /nfs/dbraw/zinc/81/33/63/498813363.db2.gz RCBNUKUCEYLADM-IRFCIJBXSA-N 2 1 369.553 3.391 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)[C@H]1C ZINC000366290722 498860252 /nfs/dbraw/zinc/86/02/52/498860252.db2.gz YZZQXNXFAFEPCS-GMHRPJKWSA-N 2 1 350.528 3.308 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)[C@H]1C ZINC000366290722 498860259 /nfs/dbraw/zinc/86/02/59/498860259.db2.gz YZZQXNXFAFEPCS-GMHRPJKWSA-N 2 1 350.528 3.308 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC2(CCOCC2)[C@H]1O ZINC000283394516 498872512 /nfs/dbraw/zinc/87/25/12/498872512.db2.gz PVULMHRBIVAHGV-YJMBLLCNSA-N 2 1 372.553 3.054 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000328638189 498884863 /nfs/dbraw/zinc/88/48/63/498884863.db2.gz PBAPFSRNAVFJON-LEAZDLGRSA-N 2 1 360.546 3.366 20 0 FGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579108924 506096387 /nfs/dbraw/zinc/09/63/87/506096387.db2.gz KDCMEWDBGXTJLO-KRWDZBQOSA-N 2 1 374.916 3.021 20 0 FGADMP CCCCCCNC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363590734 498893531 /nfs/dbraw/zinc/89/35/31/498893531.db2.gz ALJFRFPDHUBGFI-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295141393 498924390 /nfs/dbraw/zinc/92/43/90/498924390.db2.gz ZUNZHBFAVKLCEF-AQXGTKIOSA-N 2 1 363.933 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000363794957 498997311 /nfs/dbraw/zinc/99/73/11/498997311.db2.gz FHIBEAMGVUETBG-GIYDNNGJSA-N 2 1 366.933 3.027 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3sc4c(c3c(N)n1)CCCC4)CC[NH2+]CC2 ZINC000333460807 499010313 /nfs/dbraw/zinc/01/03/13/499010313.db2.gz GKYIMFCPYFLNBT-CYBMUJFWSA-N 2 1 371.554 3.116 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000573140202 506127111 /nfs/dbraw/zinc/12/71/11/506127111.db2.gz FFQDPJDSPOJALA-KRWDZBQOSA-N 2 1 350.576 3.259 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000291667301 499029109 /nfs/dbraw/zinc/02/91/09/499029109.db2.gz VYHAZUFXLYYUPC-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn2ccc(Br)cc2n1 ZINC000291667301 499029113 /nfs/dbraw/zinc/02/91/13/499029113.db2.gz VYHAZUFXLYYUPC-UHFFFAOYSA-N 2 1 362.275 3.124 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3ccc(C(C)(C)O)cc3)CC2)nc(C)[nH+]1 ZINC000295498966 499035752 /nfs/dbraw/zinc/03/57/52/499035752.db2.gz SKKMCSHFPADOHQ-UHFFFAOYSA-N 2 1 354.498 3.079 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccc(Cl)cc1 ZINC000582079068 506128222 /nfs/dbraw/zinc/12/82/22/506128222.db2.gz QMCYTQKRKHQQJG-SFHVURJKSA-N 2 1 363.933 3.468 20 0 FGADMP CCOc1ccc([C@@H](O)C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cc1 ZINC000291797620 499071075 /nfs/dbraw/zinc/07/10/75/499071075.db2.gz MYVOCZXUEMOJKF-OAQYLSRUSA-N 2 1 357.498 3.426 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000333811655 499080620 /nfs/dbraw/zinc/08/06/20/499080620.db2.gz FUBJRLMZWRRITG-CHWSQXEVSA-N 2 1 363.449 3.189 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000333811700 499081213 /nfs/dbraw/zinc/08/12/13/499081213.db2.gz FUBJRLMZWRRITG-STQMWFEESA-N 2 1 363.449 3.189 20 0 FGADMP C[NH+](C)CC1(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCC1 ZINC000366842155 499091641 /nfs/dbraw/zinc/09/16/41/499091641.db2.gz AWZZKUAJACOWFJ-KRWDZBQOSA-N 2 1 358.530 3.094 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C(=O)OCc2ccccc2)[nH]1 ZINC000295792510 499102286 /nfs/dbraw/zinc/10/22/86/499102286.db2.gz SEANVDUWKWHNCT-UHFFFAOYSA-N 2 1 366.465 3.447 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)C2)CC1 ZINC000366877247 499103142 /nfs/dbraw/zinc/10/31/42/499103142.db2.gz APFMTEATBYGRNP-UHFFFAOYSA-N 2 1 360.889 3.297 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)C2)CC1 ZINC000366877247 499103145 /nfs/dbraw/zinc/10/31/45/499103145.db2.gz APFMTEATBYGRNP-UHFFFAOYSA-N 2 1 360.889 3.297 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000366943108 499119439 /nfs/dbraw/zinc/11/94/39/499119439.db2.gz JMBMRURMROHAEI-FLQRSKGTSA-N 2 1 355.526 3.076 20 0 FGADMP CN(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000367183621 499159030 /nfs/dbraw/zinc/15/90/30/499159030.db2.gz CLCILKMBCWWUBM-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000367183621 499159032 /nfs/dbraw/zinc/15/90/32/499159032.db2.gz CLCILKMBCWWUBM-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000370092188 499178868 /nfs/dbraw/zinc/17/88/68/499178868.db2.gz MBYPQQINBBOUJE-GCJKJVERSA-N 2 1 353.510 3.454 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850836 499184232 /nfs/dbraw/zinc/18/42/32/499184232.db2.gz DDXGMDDRRSGZCW-LVCYWYKZSA-N 2 1 358.530 3.250 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850836 499184234 /nfs/dbraw/zinc/18/42/34/499184234.db2.gz DDXGMDDRRSGZCW-LVCYWYKZSA-N 2 1 358.530 3.250 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1 ZINC000372850836 499184237 /nfs/dbraw/zinc/18/42/37/499184237.db2.gz DDXGMDDRRSGZCW-LVCYWYKZSA-N 2 1 358.530 3.250 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3ccncc3)cc2F)CC1(C)C ZINC000370254280 499202436 /nfs/dbraw/zinc/20/24/36/499202436.db2.gz ZINXOSGOEBUYSQ-UHFFFAOYSA-N 2 1 356.489 3.003 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291635 506137265 /nfs/dbraw/zinc/13/72/65/506137265.db2.gz YUUYCJSTWRPOGO-GOSISDBHSA-N 2 1 360.571 3.453 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000370298245 499207140 /nfs/dbraw/zinc/20/71/40/499207140.db2.gz DJCQWADJZPJXIH-IAGOWNOFSA-N 2 1 363.550 3.157 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)sc2c1 ZINC000579291636 506137569 /nfs/dbraw/zinc/13/75/69/506137569.db2.gz YUUYCJSTWRPOGO-SFHVURJKSA-N 2 1 360.571 3.453 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccccc3-n3ccnn3)CC2)[nH+]1 ZINC000367621744 499218903 /nfs/dbraw/zinc/21/89/03/499218903.db2.gz SXPHXAFZMFPMRF-KRWDZBQOSA-N 2 1 362.481 3.290 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)cc1Cl ZINC000367672337 499223579 /nfs/dbraw/zinc/22/35/79/499223579.db2.gz RKKPGUPSDSQYMH-HNNXBMFYSA-N 2 1 361.873 3.408 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000367672337 499223581 /nfs/dbraw/zinc/22/35/81/499223581.db2.gz RKKPGUPSDSQYMH-HNNXBMFYSA-N 2 1 361.873 3.408 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000367672337 499223582 /nfs/dbraw/zinc/22/35/82/499223582.db2.gz RKKPGUPSDSQYMH-HNNXBMFYSA-N 2 1 361.873 3.408 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000370670116 499242280 /nfs/dbraw/zinc/24/22/80/499242280.db2.gz WNUXBFXKSZKRQY-CEMLEFRQSA-N 2 1 372.553 3.214 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000370670944 499242511 /nfs/dbraw/zinc/24/25/11/499242511.db2.gz JVQZKIJTUHXEAT-NRFANRHFSA-N 2 1 368.500 3.078 20 0 FGADMP C[C@@H]1C[N@@H+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730542 499249195 /nfs/dbraw/zinc/24/91/95/499249195.db2.gz OYRGDLAATPHQIK-ADHNFCLRSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC000370730542 499249196 /nfs/dbraw/zinc/24/91/96/499249196.db2.gz OYRGDLAATPHQIK-ADHNFCLRSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000370730542 499249197 /nfs/dbraw/zinc/24/91/97/499249197.db2.gz OYRGDLAATPHQIK-ADHNFCLRSA-N 2 1 371.569 3.273 20 0 FGADMP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000367970827 499250700 /nfs/dbraw/zinc/25/07/00/499250700.db2.gz SMHUZEIDHWWOLX-HSZRJFAPSA-N 2 1 368.521 3.461 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000370773614 499253156 /nfs/dbraw/zinc/25/31/56/499253156.db2.gz OXGXKOXCHMHSQK-YOEHRIQHSA-N 2 1 371.447 3.332 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC23CCN(C(=O)OC(C)(C)C)CC3)[C@@H](C)C1 ZINC000368041496 499258468 /nfs/dbraw/zinc/25/84/68/499258468.db2.gz KKLISWSCVITCPN-YESZJQIVSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371034107 499282311 /nfs/dbraw/zinc/28/23/11/499282311.db2.gz MVALZRUUJKABLY-ICSRJNTNSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@@H](CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000371088639 499287595 /nfs/dbraw/zinc/28/75/95/499287595.db2.gz DKULNSWFMKBAGN-IBGZPJMESA-N 2 1 351.579 3.371 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424828 499294717 /nfs/dbraw/zinc/29/47/17/499294717.db2.gz ALLAMIWCNAYNIV-DYESRHJHSA-N 2 1 361.505 3.329 20 0 FGADMP CCCn1ncnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000368456927 499297877 /nfs/dbraw/zinc/29/78/77/499297877.db2.gz DXMKTLVKKDFSNR-UHFFFAOYSA-N 2 1 353.514 3.176 20 0 FGADMP CCCn1ncnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368456927 499297879 /nfs/dbraw/zinc/29/78/79/499297879.db2.gz DXMKTLVKKDFSNR-UHFFFAOYSA-N 2 1 353.514 3.176 20 0 FGADMP COc1ccc([C@H]2[C@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@@H+]2C)cc1 ZINC000368492518 499301656 /nfs/dbraw/zinc/30/16/56/499301656.db2.gz CVGUQNUYDHAPFB-OBMFMMATSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccc([C@H]2[C@H](C[NH2+]C3CCC(NC(C)=O)CC3)CCC[N@H+]2C)cc1 ZINC000368492518 499301657 /nfs/dbraw/zinc/30/16/57/499301657.db2.gz CVGUQNUYDHAPFB-OBMFMMATSA-N 2 1 373.541 3.115 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccncc3)CC2)[C@@H]1c1ccccc1 ZINC000371520631 499337527 /nfs/dbraw/zinc/33/75/27/499337527.db2.gz VCSVBLSFLNPOFK-GMAHTHKFSA-N 2 1 364.537 3.329 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccn3)CC2)[C@@H]1c1ccccc1 ZINC000371521046 499337577 /nfs/dbraw/zinc/33/75/77/499337577.db2.gz YQAAHMBOZOGACJ-REWPJTCUSA-N 2 1 364.537 3.329 20 0 FGADMP Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722123 499358876 /nfs/dbraw/zinc/35/88/76/499358876.db2.gz CSOQWAJVXJQZFL-UGKGYDQZSA-N 2 1 361.493 3.265 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)[C@@H]([NH3+])c1ccccc1 ZINC000372099329 499399035 /nfs/dbraw/zinc/39/90/35/499399035.db2.gz SZMMAGWYXRNEDC-IAAVTCLWSA-N 2 1 357.523 3.193 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348724 499423735 /nfs/dbraw/zinc/42/37/35/499423735.db2.gz QSRVMQPSTUMWDZ-UYAOXDASSA-N 2 1 366.509 3.219 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369661941 499433188 /nfs/dbraw/zinc/43/31/88/499433188.db2.gz PXXVBZRRLMSPHG-LJQANCHMSA-N 2 1 372.557 3.064 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768399 499441681 /nfs/dbraw/zinc/44/16/81/499441681.db2.gz WOGPSPILIFCTEG-CRAIPNDOSA-N 2 1 355.448 3.163 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cc4[nH]ccc4s3)CC2)CC1 ZINC000373502177 499473593 /nfs/dbraw/zinc/47/35/93/499473593.db2.gz LUDZKUFLZYWXMX-UHFFFAOYSA-N 2 1 374.554 3.156 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558665 499476868 /nfs/dbraw/zinc/47/68/68/499476868.db2.gz CQIXLAWLRPWUNY-JQERWDHBSA-N 2 1 374.525 3.170 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]3CCCO3)C[C@@H]1C)CC2 ZINC000373558665 499476869 /nfs/dbraw/zinc/47/68/69/499476869.db2.gz CQIXLAWLRPWUNY-JQERWDHBSA-N 2 1 374.525 3.170 20 0 FGADMP COCCn1ncc2c1[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000375197354 499494575 /nfs/dbraw/zinc/49/45/75/499494575.db2.gz LZGKVZAJISXKJK-HXUWFJFHSA-N 2 1 360.546 3.294 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)NCc2[nH+]c(C)n3c2CCCC3)cc1 ZINC000378302849 499499762 /nfs/dbraw/zinc/49/97/62/499499762.db2.gz BUUVXNQYCZPRNK-UHFFFAOYSA-N 2 1 354.498 3.300 20 0 FGADMP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(OC)c(Cl)c3)CC2)CC1 ZINC000378308935 499500373 /nfs/dbraw/zinc/50/03/73/499500373.db2.gz AQIYFIIYGZTZGE-UHFFFAOYSA-N 2 1 365.949 3.341 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC[NH+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354459 499506064 /nfs/dbraw/zinc/50/60/64/499506064.db2.gz JVUHVVKOAIJRTD-OALUTQOASA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354459 499506065 /nfs/dbraw/zinc/50/60/65/499506065.db2.gz JVUHVVKOAIJRTD-OALUTQOASA-N 2 1 373.585 3.364 20 0 FGADMP C[NH+](C[C@@H]1CC12CCN(C(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)CC2)C1CC1 ZINC000378354459 499506067 /nfs/dbraw/zinc/50/60/67/499506067.db2.gz JVUHVVKOAIJRTD-OALUTQOASA-N 2 1 373.585 3.364 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC([NH2+]C4CCCC4)CC3)C2)cc1 ZINC000375325878 499507612 /nfs/dbraw/zinc/50/76/12/499507612.db2.gz HXPIGXJFCXRUGI-HSZRJFAPSA-N 2 1 371.569 3.274 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2ccccn2)c1 ZINC000378368299 499507782 /nfs/dbraw/zinc/50/77/82/499507782.db2.gz GLPKUACTOBAUAM-CEMLEFRQSA-N 2 1 351.494 3.432 20 0 FGADMP Cc1cccc(C)c1CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378521475 499527715 /nfs/dbraw/zinc/52/77/15/499527715.db2.gz POMQFPTVRCBOHO-UHFFFAOYSA-N 2 1 371.569 3.158 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000579334916 506149279 /nfs/dbraw/zinc/14/92/79/506149279.db2.gz BAVFNXJUCSXUGF-OALUTQOASA-N 2 1 372.538 3.027 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c2ccccc2n1 ZINC000375886780 499564733 /nfs/dbraw/zinc/56/47/33/499564733.db2.gz ATXCCKFGQICUPP-HXUWFJFHSA-N 2 1 352.526 3.144 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000582176187 506151815 /nfs/dbraw/zinc/15/18/15/506151815.db2.gz GXHZWNKZUKTBAV-OAQYLSRUSA-N 2 1 356.510 3.365 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)CC1 ZINC000376417978 499607239 /nfs/dbraw/zinc/60/72/39/499607239.db2.gz WDKQGYOYHOCJMP-UHFFFAOYSA-N 2 1 367.541 3.068 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000376584142 499620688 /nfs/dbraw/zinc/62/06/88/499620688.db2.gz LXIFLVRLEFVCQB-BKNJSMIZSA-N 2 1 364.578 3.011 20 0 FGADMP CCc1cc(NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ccc1F ZINC000376642395 499625492 /nfs/dbraw/zinc/62/54/92/499625492.db2.gz BHJPDYDLRDICHG-DFNIBXOVSA-N 2 1 374.504 3.163 20 0 FGADMP CN(C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376932784 499647484 /nfs/dbraw/zinc/64/74/84/499647484.db2.gz MEOBEVUWCINRPA-BMHONFFRSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376932784 499647485 /nfs/dbraw/zinc/64/74/85/499647485.db2.gz MEOBEVUWCINRPA-BMHONFFRSA-N 2 1 362.562 3.050 20 0 FGADMP CN(C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376932784 499647486 /nfs/dbraw/zinc/64/74/86/499647486.db2.gz MEOBEVUWCINRPA-BMHONFFRSA-N 2 1 362.562 3.050 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000410358609 499657480 /nfs/dbraw/zinc/65/74/80/499657480.db2.gz JWGFVMFVINCBFI-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP [NH3+]Cc1ccc(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)cc1 ZINC000573252186 506153987 /nfs/dbraw/zinc/15/39/87/506153987.db2.gz OEFMTJYNMJNHOG-LJQANCHMSA-N 2 1 366.509 3.268 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](c4nccn4C)C3)ccc2o1 ZINC000377261236 499675000 /nfs/dbraw/zinc/67/50/00/499675000.db2.gz HZDDWPUYXBPEGN-OAHLLOKOSA-N 2 1 353.422 3.333 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+]([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307402 499678675 /nfs/dbraw/zinc/67/86/75/499678675.db2.gz IOTBCMVOHVLUNK-PXNSSMCTSA-N 2 1 353.510 3.136 20 0 FGADMP C[N@H+](Cc1cnnn1-c1ccccc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000377581277 499706813 /nfs/dbraw/zinc/70/68/13/499706813.db2.gz GKLXHELEYCNHGC-UHFFFAOYSA-N 2 1 362.481 3.011 20 0 FGADMP c1nc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)cs1 ZINC000411209139 499711631 /nfs/dbraw/zinc/71/16/31/499711631.db2.gz BJNWYZZARQIWIN-UHFFFAOYSA-N 2 1 370.566 3.447 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377626231 499712224 /nfs/dbraw/zinc/71/22/24/499712224.db2.gz MEAAAGDZOBJFSL-SIKLNZKXSA-N 2 1 357.542 3.173 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000377632571 499713367 /nfs/dbraw/zinc/71/33/67/499713367.db2.gz SZCRDIZZKMSTOA-KRWDZBQOSA-N 2 1 371.447 3.045 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377691669 499720832 /nfs/dbraw/zinc/72/08/32/499720832.db2.gz HXPNKYNTIFTDSW-OAQYLSRUSA-N 2 1 359.558 3.338 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377691669 499720834 /nfs/dbraw/zinc/72/08/34/499720834.db2.gz HXPNKYNTIFTDSW-OAQYLSRUSA-N 2 1 359.558 3.338 20 0 FGADMP C([C@H]1CCCCO1)[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC000377724772 499725369 /nfs/dbraw/zinc/72/53/69/499725369.db2.gz MWBOZUDCESZMAU-QHAWAJNXSA-N 2 1 350.547 3.303 20 0 FGADMP C([C@H]1CCCCO1)[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000377724772 499725371 /nfs/dbraw/zinc/72/53/71/499725371.db2.gz MWBOZUDCESZMAU-QHAWAJNXSA-N 2 1 350.547 3.303 20 0 FGADMP C([C@H]1CCCCO1)[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCCCO3)C2)C1 ZINC000377724772 499725372 /nfs/dbraw/zinc/72/53/72/499725372.db2.gz MWBOZUDCESZMAU-QHAWAJNXSA-N 2 1 350.547 3.303 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757844 499729482 /nfs/dbraw/zinc/72/94/82/499729482.db2.gz GFFXPUKUASDQKP-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757844 499729484 /nfs/dbraw/zinc/72/94/84/499729484.db2.gz GFFXPUKUASDQKP-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000377757844 499729485 /nfs/dbraw/zinc/72/94/85/499729485.db2.gz GFFXPUKUASDQKP-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP c1cncc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)c1 ZINC000411406128 499735814 /nfs/dbraw/zinc/73/58/14/499735814.db2.gz BLYFTGWWHHOSGV-UHFFFAOYSA-N 2 1 364.537 3.385 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)CCO2)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377895054 499746120 /nfs/dbraw/zinc/74/61/20/499746120.db2.gz AGWPIKPZTABFHQ-UHFFFAOYSA-N 2 1 351.494 3.155 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)CCO2)C1CC[NH+](CCc2ccncc2)CC1 ZINC000377895054 499746122 /nfs/dbraw/zinc/74/61/22/499746122.db2.gz AGWPIKPZTABFHQ-UHFFFAOYSA-N 2 1 351.494 3.155 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516048 499750070 /nfs/dbraw/zinc/75/00/70/499750070.db2.gz JARHQWZWLAKXBW-VNYTWHDVSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516048 499750071 /nfs/dbraw/zinc/75/00/71/499750071.db2.gz JARHQWZWLAKXBW-VNYTWHDVSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516041 499750175 /nfs/dbraw/zinc/75/01/75/499750175.db2.gz JARHQWZWLAKXBW-CTAFRAEOSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516041 499750177 /nfs/dbraw/zinc/75/01/77/499750177.db2.gz JARHQWZWLAKXBW-CTAFRAEOSA-N 2 1 361.574 3.410 20 0 FGADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@]2(CCOC2)O1 ZINC000411660116 499774138 /nfs/dbraw/zinc/77/41/38/499774138.db2.gz IRGXQIKXSXVUAE-QFIPXVFZSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(N(C)C)n1C ZINC000414289675 499774649 /nfs/dbraw/zinc/77/46/49/499774649.db2.gz RUQHSYCYSYIIHP-KRWDZBQOSA-N 2 1 355.530 3.150 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCCOC2)O1 ZINC000411674676 499776007 /nfs/dbraw/zinc/77/60/07/499776007.db2.gz IWKPIKIPJSBPBC-DENIHFKCSA-N 2 1 358.526 3.442 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCCOC2)O1 ZINC000411674676 499776008 /nfs/dbraw/zinc/77/60/08/499776008.db2.gz IWKPIKIPJSBPBC-DENIHFKCSA-N 2 1 358.526 3.442 20 0 FGADMP CCc1ncc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](CC)CC2)cn1 ZINC000414326763 499778284 /nfs/dbraw/zinc/77/82/84/499778284.db2.gz LUPWDUUIXVFWAL-MRXNPFEDSA-N 2 1 371.504 3.171 20 0 FGADMP [NH3+]C1(c2noc([C@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)CCCC1 ZINC000414631766 499815501 /nfs/dbraw/zinc/81/55/01/499815501.db2.gz XQUGXWMZYCOYRU-OAHLLOKOSA-N 2 1 362.424 3.422 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c2C)cc1 ZINC000414664823 499818437 /nfs/dbraw/zinc/81/84/37/499818437.db2.gz UDGMBDDJEQKAJC-OAQYLSRUSA-N 2 1 358.530 3.362 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c2C)cc1 ZINC000414664823 499818438 /nfs/dbraw/zinc/81/84/38/499818438.db2.gz UDGMBDDJEQKAJC-OAQYLSRUSA-N 2 1 358.530 3.362 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000414670386 499819220 /nfs/dbraw/zinc/81/92/20/499819220.db2.gz DCVLUWXHQHMWBH-SUMWQHHRSA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683487 499820516 /nfs/dbraw/zinc/82/05/16/499820516.db2.gz BGUVHNFOSZTNLF-UWJYYQICSA-N 2 1 351.494 3.174 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733429 499824422 /nfs/dbraw/zinc/82/44/22/499824422.db2.gz AWMVGQOFBAQLHX-JKIFEVAISA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC[NH2+]1 ZINC000414733429 499824423 /nfs/dbraw/zinc/82/44/23/499824423.db2.gz AWMVGQOFBAQLHX-JKIFEVAISA-N 2 1 353.304 3.211 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763806 499827959 /nfs/dbraw/zinc/82/79/59/499827959.db2.gz CNFASWXPXHUDPS-OYRHEFFESA-N 2 1 352.526 3.288 20 0 FGADMP c1cc(COc2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)ccn1 ZINC000414773219 499829263 /nfs/dbraw/zinc/82/92/63/499829263.db2.gz DDZLCMLOQIVSHG-RTWAWAEBSA-N 2 1 351.494 3.482 20 0 FGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774749 499829615 /nfs/dbraw/zinc/82/96/15/499829615.db2.gz FWMCRUZNMQABHF-UXHICEINSA-N 2 1 351.494 3.482 20 0 FGADMP Brc1ccc(-c2ncc(C[NH2+]C3CC[NH2+]CC3)s2)cc1 ZINC000414779650 499830272 /nfs/dbraw/zinc/83/02/72/499830272.db2.gz ACGOKNOBOCGCQB-UHFFFAOYSA-N 2 1 352.301 3.414 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414780311 499830530 /nfs/dbraw/zinc/83/05/30/499830530.db2.gz LIHGHHSCXSBPND-CABCVRRESA-N 2 1 353.304 3.279 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414811451 499833481 /nfs/dbraw/zinc/83/34/81/499833481.db2.gz WIOJCUAMNPAIJF-BDJLRTHQSA-N 2 1 354.285 3.181 20 0 FGADMP Clc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414886211 499841579 /nfs/dbraw/zinc/84/15/79/499841579.db2.gz VPAVBPRRRJOGAI-UHFFFAOYSA-N 2 1 355.873 3.395 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414909303 499843942 /nfs/dbraw/zinc/84/39/42/499843942.db2.gz RMQGBUPPXUIYCX-QAPCUYQASA-N 2 1 355.486 3.174 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C3(C)CC[NH2+]CC3)c2)cc1 ZINC000414930900 499845649 /nfs/dbraw/zinc/84/56/49/499845649.db2.gz BMDYNTXYLFBTBK-UHFFFAOYSA-N 2 1 353.466 3.179 20 0 FGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415037901 499856770 /nfs/dbraw/zinc/85/67/70/499856770.db2.gz LMKHWNZFKMZEOH-OIHWHRODSA-N 2 1 352.478 3.247 20 0 FGADMP Cc1ccc(-c2nn(Cc3ccccc3)cc2C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415036198 499856798 /nfs/dbraw/zinc/85/67/98/499856798.db2.gz LLUDCGWTONBTRX-SGRGSNTQSA-N 2 1 358.489 3.214 20 0 FGADMP Clc1ccccc1COc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000415044569 499857525 /nfs/dbraw/zinc/85/75/25/499857525.db2.gz SEAXNNIEHZGGHF-IBGZPJMESA-N 2 1 360.885 3.387 20 0 FGADMP O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415089740 499862427 /nfs/dbraw/zinc/86/24/27/499862427.db2.gz WRTWJFCTWDMLOE-VXKWHMMOSA-N 2 1 363.505 3.392 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)cc3F)CC2)C1 ZINC000415128607 499867383 /nfs/dbraw/zinc/86/73/83/499867383.db2.gz SMNHMIGNKXZMHL-RDJZCZTQSA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)Sc1cc(Br)ccc1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415141967 499869570 /nfs/dbraw/zinc/86/95/70/499869570.db2.gz OZWXAEXPCAXSRY-UHFFFAOYSA-N 2 1 373.360 3.235 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415884664 499924228 /nfs/dbraw/zinc/92/42/28/499924228.db2.gz QMLOZCXSACHKCW-UHFFFAOYSA-N 2 1 358.530 3.308 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415922339 499928845 /nfs/dbraw/zinc/92/88/45/499928845.db2.gz SHPSVKBQFFUTDF-UTKZUKDTSA-N 2 1 366.509 3.438 20 0 FGADMP CC[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000415973658 499936024 /nfs/dbraw/zinc/93/60/24/499936024.db2.gz JRZXQRYYNQCACA-HXUWFJFHSA-N 2 1 352.482 3.104 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415996081 499939077 /nfs/dbraw/zinc/93/90/77/499939077.db2.gz LYNIBBLNZXNYCT-SJORKVTESA-N 2 1 356.514 3.408 20 0 FGADMP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413406447 499949650 /nfs/dbraw/zinc/94/96/50/499949650.db2.gz QJNJBQILXMIQBT-KMFTYDHNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413406447 499949651 /nfs/dbraw/zinc/94/96/51/499949651.db2.gz QJNJBQILXMIQBT-KMFTYDHNSA-N 2 1 372.557 3.023 20 0 FGADMP C(=C\C[N@H+]1CCOC[C@@H](C2CCC2)C1)\C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000429033363 499989097 /nfs/dbraw/zinc/98/90/97/499989097.db2.gz FXGXBHVOWWNDLV-LJLUTMTPSA-N 2 1 362.558 3.040 20 0 FGADMP C(=C\C[N@@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000429033363 499989102 /nfs/dbraw/zinc/98/91/02/499989102.db2.gz FXGXBHVOWWNDLV-LJLUTMTPSA-N 2 1 362.558 3.040 20 0 FGADMP C(=C\C[N@H+]1CCOC[C@H](C2CCC2)C1)\C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000429033363 499989107 /nfs/dbraw/zinc/98/91/07/499989107.db2.gz FXGXBHVOWWNDLV-LJLUTMTPSA-N 2 1 362.558 3.040 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000413563054 499991870 /nfs/dbraw/zinc/99/18/70/499991870.db2.gz BADGHWVUSCGTIO-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000413563054 499991875 /nfs/dbraw/zinc/99/18/75/499991875.db2.gz BADGHWVUSCGTIO-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP CCc1nc(C(C)C)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000582254313 506169724 /nfs/dbraw/zinc/16/97/24/506169724.db2.gz YBNLIPVFZYRULR-HXUWFJFHSA-N 2 1 358.574 3.368 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000429163664 500016773 /nfs/dbraw/zinc/01/67/73/500016773.db2.gz NUWZQUSLCUGGKS-LEWJYISDSA-N 2 1 351.494 3.176 20 0 FGADMP Cc1cc(CC(C)(C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000429262418 500037220 /nfs/dbraw/zinc/03/72/20/500037220.db2.gz FNUYVWHDVLQDIZ-MRXNPFEDSA-N 2 1 369.347 3.123 20 0 FGADMP Cc1cc(CC(C)(C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000429262418 500037224 /nfs/dbraw/zinc/03/72/24/500037224.db2.gz FNUYVWHDVLQDIZ-MRXNPFEDSA-N 2 1 369.347 3.123 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H](C)[NH2+]1 ZINC000429413347 500073343 /nfs/dbraw/zinc/07/33/43/500073343.db2.gz UHZQBKIOWNUQTA-QZTJIDSGSA-N 2 1 351.494 3.141 20 0 FGADMP COC1(C[C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCC1 ZINC000429520489 500092602 /nfs/dbraw/zinc/09/26/02/500092602.db2.gz SONZZJAVRMSRSY-TZIWHRDSSA-N 2 1 359.558 3.303 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000429535420 500095416 /nfs/dbraw/zinc/09/54/16/500095416.db2.gz ICOOZKFMMGWMOQ-MRXNPFEDSA-N 2 1 357.420 3.450 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000421678890 500114131 /nfs/dbraw/zinc/11/41/31/500114131.db2.gz FGPQUMGTEVYGAI-SOAGJPPSSA-N 2 1 361.505 3.169 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000421678890 500114132 /nfs/dbraw/zinc/11/41/32/500114132.db2.gz FGPQUMGTEVYGAI-SOAGJPPSSA-N 2 1 361.505 3.169 20 0 FGADMP C[C@H]1C[NH+](CCC2CCN(CC[N@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686533 500124304 /nfs/dbraw/zinc/12/43/04/500124304.db2.gz ZPPZNSFGOQLHSZ-SFTDATJTSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@H]1C[NH+](CCC2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)C[C@H](C)O1 ZINC000429686533 500124311 /nfs/dbraw/zinc/12/43/11/500124311.db2.gz ZPPZNSFGOQLHSZ-SFTDATJTSA-N 2 1 373.585 3.330 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000416969163 500169152 /nfs/dbraw/zinc/16/91/52/500169152.db2.gz KIBQNYVLVUSNOD-QZTJIDSGSA-N 2 1 360.546 3.235 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416972368 500171337 /nfs/dbraw/zinc/17/13/37/500171337.db2.gz RRVFISJZHDCZKL-OALUTQOASA-N 2 1 372.557 3.107 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000416973191 500171724 /nfs/dbraw/zinc/17/17/24/500171724.db2.gz UIEYFDWTHKVYHE-GHTZIAJQSA-N 2 1 374.573 3.433 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000416973284 500171754 /nfs/dbraw/zinc/17/17/54/500171754.db2.gz JPUVRFIOSZNUKF-GOSISDBHSA-N 2 1 370.541 3.170 20 0 FGADMP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416983947 500174891 /nfs/dbraw/zinc/17/48/91/500174891.db2.gz GJTZTCVTGLQGLL-UEXGIBASSA-N 2 1 372.557 3.058 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000416984159 500175029 /nfs/dbraw/zinc/17/50/29/500175029.db2.gz XUABVRNATAUOFR-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[NH2+]C1CC1 ZINC000416983578 500175226 /nfs/dbraw/zinc/17/52/26/500175226.db2.gz XITSNQNXTLJVLW-KRWDZBQOSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416985552 500175706 /nfs/dbraw/zinc/17/57/06/500175706.db2.gz YOJBUPDOFZJIJT-OALUTQOASA-N 2 1 372.557 3.250 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000417856609 500185218 /nfs/dbraw/zinc/18/52/18/500185218.db2.gz MZEPSWQCMZNNKG-DNVCBOLYSA-N 2 1 357.502 3.257 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000417872089 500188031 /nfs/dbraw/zinc/18/80/31/500188031.db2.gz IIEAVLCFRRRVPY-UTKZUKDTSA-N 2 1 368.525 3.117 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000417879484 500190348 /nfs/dbraw/zinc/19/03/48/500190348.db2.gz PQEDXZRPCKQVJM-YLJYHZDGSA-N 2 1 360.546 3.187 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC(C[NH3+])CC2)c1 ZINC000417886536 500192013 /nfs/dbraw/zinc/19/20/13/500192013.db2.gz WAVPCISZIANDTK-UHFFFAOYSA-N 2 1 360.546 3.189 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417918583 500197847 /nfs/dbraw/zinc/19/78/47/500197847.db2.gz FOOQEFHSUVJQSG-HZEGPAAWSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417920684 500198231 /nfs/dbraw/zinc/19/82/31/500198231.db2.gz QRAXMYNEWGRAIW-VQTJNVASSA-N 2 1 360.546 3.276 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ccccc2C(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000417932249 500199884 /nfs/dbraw/zinc/19/98/84/500199884.db2.gz MBGUKHOQWUZWCO-YLJYHZDGSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417932249 500199885 /nfs/dbraw/zinc/19/98/85/500199885.db2.gz MBGUKHOQWUZWCO-YLJYHZDGSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000417934498 500200678 /nfs/dbraw/zinc/20/06/78/500200678.db2.gz FNFAFECGLGDHHK-SFHVURJKSA-N 2 1 353.510 3.389 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000417934498 500200680 /nfs/dbraw/zinc/20/06/80/500200680.db2.gz FNFAFECGLGDHHK-SFHVURJKSA-N 2 1 353.510 3.389 20 0 FGADMP CCOc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425944684 500215109 /nfs/dbraw/zinc/21/51/09/500215109.db2.gz NYIMNICZPGAHON-QFIPXVFZSA-N 2 1 354.494 3.154 20 0 FGADMP CCOc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000425944684 500215111 /nfs/dbraw/zinc/21/51/11/500215111.db2.gz NYIMNICZPGAHON-QFIPXVFZSA-N 2 1 354.494 3.154 20 0 FGADMP CCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000425944684 500215112 /nfs/dbraw/zinc/21/51/12/500215112.db2.gz NYIMNICZPGAHON-QFIPXVFZSA-N 2 1 354.494 3.154 20 0 FGADMP CC1=C[C@H](C)C[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260967 500217743 /nfs/dbraw/zinc/21/77/43/500217743.db2.gz IBCSBPKRLNGMRH-HKUYNNGSSA-N 2 1 355.526 3.054 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@H]3C[C@H](C)C[C@H](C)C3)CC2)CC1 ZINC000422224333 500237319 /nfs/dbraw/zinc/23/73/19/500237319.db2.gz DZEDIGVXSCOLOV-BWTSREIZSA-N 2 1 364.578 3.013 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000418151221 500238480 /nfs/dbraw/zinc/23/84/80/500238480.db2.gz FGKWSCOZKGFSFR-WOJBJXKFSA-N 2 1 372.557 3.058 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193368 500246645 /nfs/dbraw/zinc/24/66/45/500246645.db2.gz ZLXPFGAQKXAYRJ-JCGIZDLHSA-N 2 1 366.937 3.150 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418231556 500253229 /nfs/dbraw/zinc/25/32/29/500253229.db2.gz GQHBHXVGLMOLPS-RTWAWAEBSA-N 2 1 374.573 3.304 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572648 500256531 /nfs/dbraw/zinc/25/65/31/500256531.db2.gz PZQKGJMKJFVHPM-NYVOZVTQSA-N 2 1 365.521 3.146 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000430572648 500256535 /nfs/dbraw/zinc/25/65/35/500256535.db2.gz PZQKGJMKJFVHPM-NYVOZVTQSA-N 2 1 365.521 3.146 20 0 FGADMP Cc1ccc(Oc2ccccc2NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430595737 500260221 /nfs/dbraw/zinc/26/02/21/500260221.db2.gz VKJUEWJKIIBGRL-UHFFFAOYSA-N 2 1 353.466 3.397 20 0 FGADMP Cc1ccc(C)c(NC(=O)Cc2nc(C[NH+]3CCC(C[NH3+])CC3)cs2)c1 ZINC000430602476 500261125 /nfs/dbraw/zinc/26/11/25/500261125.db2.gz LJLJEGZRYNSCOK-UHFFFAOYSA-N 2 1 372.538 3.112 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430612726 500262343 /nfs/dbraw/zinc/26/23/43/500262343.db2.gz SJLKPGZOYYANAC-MRXNPFEDSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615482 500262399 /nfs/dbraw/zinc/26/23/99/500262399.db2.gz BRMWPGGDHXWHNQ-XHDPSFHLSA-N 2 1 372.282 3.119 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615482 500262401 /nfs/dbraw/zinc/26/24/01/500262401.db2.gz BRMWPGGDHXWHNQ-XHDPSFHLSA-N 2 1 372.282 3.119 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000418347542 500265727 /nfs/dbraw/zinc/26/57/27/500265727.db2.gz QNDMAYDYEPLLFJ-NQIIRXRSSA-N 2 1 372.557 3.025 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000576555147 506186035 /nfs/dbraw/zinc/18/60/35/506186035.db2.gz RBKBFOQDWYDIKI-VAMGGRTRSA-N 2 1 350.510 3.148 20 0 FGADMP CN(C)c1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000576555147 506186038 /nfs/dbraw/zinc/18/60/38/506186038.db2.gz RBKBFOQDWYDIKI-VAMGGRTRSA-N 2 1 350.510 3.148 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418409478 500273205 /nfs/dbraw/zinc/27/32/05/500273205.db2.gz AIESOVRXSNWKAR-RLLQIKCJSA-N 2 1 360.546 3.054 20 0 FGADMP CCN(C(=O)N[C@H](C[NH3+])CC(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418425231 500275044 /nfs/dbraw/zinc/27/50/44/500275044.db2.gz JEWQVWHNYQHHAO-IHPCNDPISA-N 2 1 360.546 3.227 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000430768995 500282654 /nfs/dbraw/zinc/28/26/54/500282654.db2.gz RBOBPGUYPOQYSF-FGZHOGPDSA-N 2 1 370.562 3.392 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000430768995 500282657 /nfs/dbraw/zinc/28/26/57/500282657.db2.gz RBOBPGUYPOQYSF-FGZHOGPDSA-N 2 1 370.562 3.392 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)n2)cc1F ZINC000422641646 500285400 /nfs/dbraw/zinc/28/54/00/500285400.db2.gz YETDHZWQKPNBKH-INMHGKMJSA-N 2 1 360.477 3.422 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)c1c[nH+]ccc1N ZINC000422715222 500289155 /nfs/dbraw/zinc/28/91/55/500289155.db2.gz RTNYIUOSQCAMML-OLZOCXBDSA-N 2 1 361.287 3.186 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717804 500289331 /nfs/dbraw/zinc/28/93/31/500289331.db2.gz PDZAWJOVPGVOFB-XLIONFOSSA-N 3 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717804 500289335 /nfs/dbraw/zinc/28/93/35/500289335.db2.gz PDZAWJOVPGVOFB-XLIONFOSSA-N 2 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717804 500289337 /nfs/dbraw/zinc/28/93/37/500289337.db2.gz PDZAWJOVPGVOFB-XLIONFOSSA-N 2 1 352.526 3.064 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734020 500291379 /nfs/dbraw/zinc/29/13/79/500291379.db2.gz BZALKJQPVDROFO-NQIIRXRSSA-N 2 1 359.558 3.044 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000422746929 500293730 /nfs/dbraw/zinc/29/37/30/500293730.db2.gz XOBIJLYGILMIIZ-IAGOWNOFSA-N 2 1 350.526 3.136 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418627532 500297930 /nfs/dbraw/zinc/29/79/30/500297930.db2.gz UTDKLMLWZKSZMM-NRFANRHFSA-N 2 1 372.557 3.058 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)nc1 ZINC000422793379 500298220 /nfs/dbraw/zinc/29/82/20/500298220.db2.gz YBSMXWSDMLBCOL-LEWJYISDSA-N 2 1 350.510 3.442 20 0 FGADMP COc1ccc([C@@H](NCC[N@@H+]2CCc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422811263 500301172 /nfs/dbraw/zinc/30/11/72/500301172.db2.gz VRKXEIDPBQQLKJ-XZOQPEGZSA-N 2 1 365.521 3.136 20 0 FGADMP COc1ccc([C@@H](NCC[N@H+]2CCc3ccccc3C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422811263 500301175 /nfs/dbraw/zinc/30/11/75/500301175.db2.gz VRKXEIDPBQQLKJ-XZOQPEGZSA-N 2 1 365.521 3.136 20 0 FGADMP CC[C@@H](NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422813081 500301356 /nfs/dbraw/zinc/30/13/56/500301356.db2.gz RKEHXHIXELDXSN-YADHBBJMSA-N 2 1 358.574 3.017 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840453 500303876 /nfs/dbraw/zinc/30/38/76/500303876.db2.gz SYHGLNMDXBSXHA-RDJZCZTQSA-N 3 1 358.555 3.473 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840453 500303878 /nfs/dbraw/zinc/30/38/78/500303878.db2.gz SYHGLNMDXBSXHA-RDJZCZTQSA-N 3 1 358.555 3.473 20 0 FGADMP CCOc1c(OC)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422836412 500304211 /nfs/dbraw/zinc/30/42/11/500304211.db2.gz KBCZTUHIIJWNCT-MAUKXSAKSA-N 2 1 358.482 3.151 20 0 FGADMP O=C([C@H]1CCC[N@H+]1C1CC1)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672626 500304916 /nfs/dbraw/zinc/30/49/16/500304916.db2.gz SBIROOONAGJOGC-GGAORHGYSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672626 500304919 /nfs/dbraw/zinc/30/49/19/500304919.db2.gz SBIROOONAGJOGC-GGAORHGYSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@H]1CCC[NH+]1C1CC1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672626 500304922 /nfs/dbraw/zinc/30/49/22/500304922.db2.gz SBIROOONAGJOGC-GGAORHGYSA-N 2 1 367.537 3.128 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418678509 500306696 /nfs/dbraw/zinc/30/66/96/500306696.db2.gz VPBXJQOPMRCUHH-UYAOXDASSA-N 2 1 360.546 3.058 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000418678508 500306780 /nfs/dbraw/zinc/30/67/80/500306780.db2.gz VPBXJQOPMRCUHH-QUCCMNQESA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(Oc3ccccc3)c2)CC1 ZINC000430927325 500308400 /nfs/dbraw/zinc/30/84/00/500308400.db2.gz IFXXOJFIFSCFEQ-INIZCTEOSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878224 500309463 /nfs/dbraw/zinc/30/94/63/500309463.db2.gz JPVQZBSQVBDNNW-FFUNNMLOSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878224 500309464 /nfs/dbraw/zinc/30/94/64/500309464.db2.gz JPVQZBSQVBDNNW-FFUNNMLOSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422886523 500310620 /nfs/dbraw/zinc/31/06/20/500310620.db2.gz WTMVVDQJORUJQY-UZKOGDIHSA-N 3 1 357.542 3.344 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418715875 500311687 /nfs/dbraw/zinc/31/16/87/500311687.db2.gz BPOYHTCFPUKGRB-NJDAHSKKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C(=O)N2CCCCC2)cc1 ZINC000422928466 500318263 /nfs/dbraw/zinc/31/82/63/500318263.db2.gz KQWXVYMLERXQAA-XMSQKQJNSA-N 2 1 365.521 3.361 20 0 FGADMP COc1ccc(CC[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000426787498 500320681 /nfs/dbraw/zinc/32/06/81/500320681.db2.gz FGLPDSQHJZGPHZ-KDURUIRLSA-N 2 1 360.542 3.449 20 0 FGADMP COc1ccc([C@H](CN[C@@H](C)C[C@H]2CCCCC[NH2+]2)[NH+](C)C)cc1OC ZINC000422985486 500326991 /nfs/dbraw/zinc/32/69/91/500326991.db2.gz FAQYCUQZTIEJOE-UHOSZYNNSA-N 2 1 363.546 3.207 20 0 FGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000431068902 500331295 /nfs/dbraw/zinc/33/12/95/500331295.db2.gz USDWQYUVCYSGOO-LSDHHAIUSA-N 2 1 350.507 3.213 20 0 FGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000431068902 500331297 /nfs/dbraw/zinc/33/12/97/500331297.db2.gz USDWQYUVCYSGOO-LSDHHAIUSA-N 2 1 350.507 3.213 20 0 FGADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CSCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077522 500339546 /nfs/dbraw/zinc/33/95/46/500339546.db2.gz UDGUVRMWHIJCGZ-UIFIKXQLSA-N 2 1 353.535 3.338 20 0 FGADMP [NH3+][C@@H]1C[C@H](NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077522 500339549 /nfs/dbraw/zinc/33/95/49/500339549.db2.gz UDGUVRMWHIJCGZ-UIFIKXQLSA-N 2 1 353.535 3.338 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)C[NH+]1Cc1ccccc1 ZINC000426980430 500340752 /nfs/dbraw/zinc/34/07/52/500340752.db2.gz AHKNERIMXUDEEC-YFVAEKQCSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000426980430 500340753 /nfs/dbraw/zinc/34/07/53/500340753.db2.gz AHKNERIMXUDEEC-YFVAEKQCSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CC2)C[N@H+]1Cc1ccccc1 ZINC000426980430 500340755 /nfs/dbraw/zinc/34/07/55/500340755.db2.gz AHKNERIMXUDEEC-YFVAEKQCSA-N 2 1 355.526 3.030 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)cc2)CC1 ZINC000423101495 500342420 /nfs/dbraw/zinc/34/24/20/500342420.db2.gz IYLILIVNMLWSGZ-FGZHOGPDSA-N 3 1 351.494 3.394 20 0 FGADMP CN(C)C[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103281 500342667 /nfs/dbraw/zinc/34/26/67/500342667.db2.gz GFKIXWHBBKLYJG-ONTIZHBOSA-N 2 1 369.484 3.274 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423110946 500344168 /nfs/dbraw/zinc/34/41/68/500344168.db2.gz VKXMKQNEFTYIKH-BQFCYCMXSA-N 2 1 352.544 3.442 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000419286355 500349420 /nfs/dbraw/zinc/34/94/20/500349420.db2.gz FNPJHAFYWXVRNY-MGPUTAFESA-N 2 1 359.489 3.094 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000427275563 500377017 /nfs/dbraw/zinc/37/70/17/500377017.db2.gz PQCAYPKHOXGZIW-DYXWJJEUSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423500035 500379260 /nfs/dbraw/zinc/37/92/60/500379260.db2.gz CNZCZCFNQVLMPB-HSALFYBXSA-N 2 1 354.494 3.370 20 0 FGADMP Brc1ccc2c(c1)CCCC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423494450 500379307 /nfs/dbraw/zinc/37/93/07/500379307.db2.gz SBQGUCDFFXYMCA-NVXWUHKLSA-N 2 1 353.304 3.185 20 0 FGADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OCCC ZINC000423506635 500379836 /nfs/dbraw/zinc/37/98/36/500379836.db2.gz HJTGXNMXPRWVDH-WMZOPIPTSA-N 2 1 350.503 3.293 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccsc2S1 ZINC000423506432 500379873 /nfs/dbraw/zinc/37/98/73/500379873.db2.gz IZCBDZVYRGKXGX-GIOUXUJVSA-N 2 1 351.585 3.480 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1OC(F)F ZINC000423500965 500379924 /nfs/dbraw/zinc/37/99/24/500379924.db2.gz CHHOVKGRWCHBDG-QQFBHYJXSA-N 2 1 353.457 3.155 20 0 FGADMP C[C@H](CCc1ccc(F)cc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423516315 500381416 /nfs/dbraw/zinc/38/14/16/500381416.db2.gz WMSAZUISFXYFPV-VNCLNFNDSA-N 2 1 351.485 3.092 20 0 FGADMP Fc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2cccnc2)cc1 ZINC000423521237 500381667 /nfs/dbraw/zinc/38/16/67/500381667.db2.gz SHXGCTQZKVWYNI-LZBANZJXSA-N 2 1 368.500 3.116 20 0 FGADMP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CCC[NH2+]CC1 ZINC000423598291 500387530 /nfs/dbraw/zinc/38/75/30/500387530.db2.gz PDAZTVQBXYJUAW-ZWKOTPCHSA-N 2 1 358.530 3.094 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423710047 500396535 /nfs/dbraw/zinc/39/65/35/500396535.db2.gz RHSGEBXBVREQND-KBAYOESNSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000423753279 500399462 /nfs/dbraw/zinc/39/94/62/500399462.db2.gz XDGFYTVMEJXUOT-IRLDBZIGSA-N 2 1 357.542 3.061 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000431639516 500401510 /nfs/dbraw/zinc/40/15/10/500401510.db2.gz XZIUUOHJRMIROO-LEWJYISDSA-N 2 1 351.494 3.195 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000431639516 500401512 /nfs/dbraw/zinc/40/15/12/500401512.db2.gz XZIUUOHJRMIROO-LEWJYISDSA-N 2 1 351.494 3.195 20 0 FGADMP CC(=O)NC1CCC([NH2+]CC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000427559393 500405363 /nfs/dbraw/zinc/40/53/63/500405363.db2.gz LZMNKTGQRALMQV-LDIWMBKBSA-N 2 1 357.542 3.324 20 0 FGADMP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431671971 500406517 /nfs/dbraw/zinc/40/65/17/500406517.db2.gz WKGBSLXPZAGAFK-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731666 500416486 /nfs/dbraw/zinc/41/64/86/500416486.db2.gz JIYKHFXOKXJRLK-VQTJNVASSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423892532 500416589 /nfs/dbraw/zinc/41/65/89/500416589.db2.gz CBGFGNIWOPQCEJ-KHHDVDEJSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C[N@H+]1Cc1ccccc1 ZINC000423910731 500418620 /nfs/dbraw/zinc/41/86/20/500418620.db2.gz VERFXEGEKXWINU-HOJAQTOUSA-N 2 1 357.542 3.182 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)c1 ZINC000423944833 500422297 /nfs/dbraw/zinc/42/22/97/500422297.db2.gz ABUXKKRDAMIYBW-HXUWFJFHSA-N 2 1 353.510 3.422 20 0 FGADMP [NH3+]C[C@@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000423969512 500426435 /nfs/dbraw/zinc/42/64/35/500426435.db2.gz VTIUWZZTKGWYAI-PKOBYXMFSA-N 2 1 358.530 3.127 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000423980587 500429142 /nfs/dbraw/zinc/42/91/42/500429142.db2.gz STSMQGUYONWJFE-QGZVFWFLSA-N 2 1 358.511 3.242 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)cs1)c1ccccc1 ZINC000423980587 500429143 /nfs/dbraw/zinc/42/91/43/500429143.db2.gz STSMQGUYONWJFE-QGZVFWFLSA-N 2 1 358.511 3.242 20 0 FGADMP C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000424003508 500433493 /nfs/dbraw/zinc/43/34/93/500433493.db2.gz RGXPLBMXJTYWKL-GCJKJVERSA-N 2 1 365.521 3.376 20 0 FGADMP CC(C)[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H](O)COc1cccc2ccccc21 ZINC000420303009 500437521 /nfs/dbraw/zinc/43/75/21/500437521.db2.gz KFRUBGFJNUJXOI-ICSRJNTNSA-N 2 1 356.510 3.290 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306458 500438631 /nfs/dbraw/zinc/43/86/31/500438631.db2.gz LBBTYRGJEJVCNS-OCCSQVGLSA-N 2 1 361.287 3.075 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000420316691 500440057 /nfs/dbraw/zinc/44/00/57/500440057.db2.gz MDZLZQYCXBWXJX-SFHLNBCPSA-N 2 1 359.558 3.324 20 0 FGADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431897111 500440178 /nfs/dbraw/zinc/44/01/78/500440178.db2.gz XSELLXKETKBBRT-QFIPXVFZSA-N 2 1 369.553 3.348 20 0 FGADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431897111 500440181 /nfs/dbraw/zinc/44/01/81/500440181.db2.gz XSELLXKETKBBRT-QFIPXVFZSA-N 2 1 369.553 3.348 20 0 FGADMP O=C(NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431897111 500440185 /nfs/dbraw/zinc/44/01/85/500440185.db2.gz XSELLXKETKBBRT-QFIPXVFZSA-N 2 1 369.553 3.348 20 0 FGADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)c(F)c1F ZINC000420326867 500441617 /nfs/dbraw/zinc/44/16/17/500441617.db2.gz YACXFIPYBYGMDG-CYBMUJFWSA-N 2 1 357.420 3.144 20 0 FGADMP c1ccc(-n2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335977 500443809 /nfs/dbraw/zinc/44/38/09/500443809.db2.gz VHSSSAYPZGWFNZ-ROUUACIJSA-N 2 1 350.510 3.183 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420337874 500444283 /nfs/dbraw/zinc/44/42/83/500444283.db2.gz KFOCBANVGPWZKX-FFZOFVMBSA-N 2 1 357.542 3.460 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344763 500445728 /nfs/dbraw/zinc/44/57/28/500445728.db2.gz USAWKPGUGGITET-RWMBFGLXSA-N 2 1 356.297 3.252 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427954763 500449895 /nfs/dbraw/zinc/44/98/95/500449895.db2.gz JMTJRVGBANUVMJ-BRWVUGGUSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000427954763 500449898 /nfs/dbraw/zinc/44/98/98/500449898.db2.gz JMTJRVGBANUVMJ-BRWVUGGUSA-N 2 1 355.885 3.102 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407016 500456877 /nfs/dbraw/zinc/45/68/77/500456877.db2.gz VCRHLPMDMOZEBM-CGTJXYLNSA-N 2 1 361.555 3.048 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407016 500456878 /nfs/dbraw/zinc/45/68/78/500456878.db2.gz VCRHLPMDMOZEBM-CGTJXYLNSA-N 2 1 361.555 3.048 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000573446637 506196592 /nfs/dbraw/zinc/19/65/92/506196592.db2.gz LWPBBWBCWFCKOZ-COPCDDAFSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000573446637 506196595 /nfs/dbraw/zinc/19/65/95/506196595.db2.gz LWPBBWBCWFCKOZ-COPCDDAFSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000573446637 506196599 /nfs/dbraw/zinc/19/65/99/506196599.db2.gz LWPBBWBCWFCKOZ-COPCDDAFSA-N 2 1 369.553 3.420 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038158 500461468 /nfs/dbraw/zinc/46/14/68/500461468.db2.gz WYOQHTPPLFSSQO-MJGOQNOKSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038158 500461471 /nfs/dbraw/zinc/46/14/71/500461471.db2.gz WYOQHTPPLFSSQO-MJGOQNOKSA-N 2 1 365.477 3.491 20 0 FGADMP CN(C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424307109 500484617 /nfs/dbraw/zinc/48/46/17/500484617.db2.gz WVSPZFDHBFCKFN-TZIWHRDSSA-N 2 1 355.501 3.322 20 0 FGADMP CN1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000424316252 500486050 /nfs/dbraw/zinc/48/60/50/500486050.db2.gz CVTIZESOBATEDG-MYGLTJDJSA-N 2 1 369.553 3.135 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cc(Br)cc3c1OCC3)CC[NH2+]CC2 ZINC000424386493 500494800 /nfs/dbraw/zinc/49/48/00/500494800.db2.gz XFEIOSHMWGOVLV-ZDUSSCGKSA-N 2 1 365.315 3.348 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N[C@H]1CCn2ccnc2C1 ZINC000428359288 500500317 /nfs/dbraw/zinc/50/03/17/500500317.db2.gz AMHYNIFLHDUZSY-NRFANRHFSA-N 2 1 374.488 3.017 20 0 FGADMP C[C@@H]1C[N@@H+](CCCNCC(C)(C)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000432353481 500503841 /nfs/dbraw/zinc/50/38/41/500503841.db2.gz MELAOFXNUCLJBK-HXUWFJFHSA-N 2 1 361.574 3.235 20 0 FGADMP C[C@@H]1C[NH+](CCCNCC(C)(C)C[N@H+](C)Cc2ccccc2)CCCO1 ZINC000432353481 500503842 /nfs/dbraw/zinc/50/38/42/500503842.db2.gz MELAOFXNUCLJBK-HXUWFJFHSA-N 2 1 361.574 3.235 20 0 FGADMP C[C@@H]1C[NH+](CCCNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CCCO1 ZINC000432353481 500503844 /nfs/dbraw/zinc/50/38/44/500503844.db2.gz MELAOFXNUCLJBK-HXUWFJFHSA-N 2 1 361.574 3.235 20 0 FGADMP C[C@@H]1C[N@@H+](CCCNCc2csc(-c3cccs3)n2)CCCO1 ZINC000432363067 500504881 /nfs/dbraw/zinc/50/48/81/500504881.db2.gz RXWHEWQZHWUWHV-CQSZACIVSA-N 2 1 351.541 3.462 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000424436022 500505141 /nfs/dbraw/zinc/50/51/41/500505141.db2.gz JDQQHDBZNWPGGL-UHFFFAOYSA-N 2 1 370.472 3.333 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000424436022 500505144 /nfs/dbraw/zinc/50/51/44/500505144.db2.gz JDQQHDBZNWPGGL-UHFFFAOYSA-N 2 1 370.472 3.333 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc(-c3cccs3)s2)CCCO1 ZINC000432369032 500506093 /nfs/dbraw/zinc/50/60/93/500506093.db2.gz TZILTJRNTQTJFB-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc(-c3cccs3)s2)CCCO1 ZINC000432369032 500506097 /nfs/dbraw/zinc/50/60/97/500506097.db2.gz TZILTJRNTQTJFB-AWEZNQCLSA-N 2 1 351.541 3.462 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N(C)C[C@H]3CCC[N@H+]3C)c2)CC1 ZINC000420811009 500507361 /nfs/dbraw/zinc/50/73/61/500507361.db2.gz YZSHBKFMJTWDOZ-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cccc(CN2CCOCC2)c1 ZINC000420920404 500531087 /nfs/dbraw/zinc/53/10/87/500531087.db2.gz JQGPGYZFHBFVOY-HSZRJFAPSA-N 2 1 368.521 3.208 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000428597131 500531466 /nfs/dbraw/zinc/53/14/66/500531466.db2.gz QDNBAMCRVOAOPF-FQEVSTJZSA-N 2 1 351.494 3.048 20 0 FGADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420929248 500533571 /nfs/dbraw/zinc/53/35/71/500533571.db2.gz CRTHXNBPJAIYNR-RHNCMZPLSA-N 2 1 356.432 3.373 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420929248 500533572 /nfs/dbraw/zinc/53/35/72/500533572.db2.gz CRTHXNBPJAIYNR-RHNCMZPLSA-N 2 1 356.432 3.373 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3cc(C)ccc3C)CC2)CC1 ZINC000420976378 500545184 /nfs/dbraw/zinc/54/51/84/500545184.db2.gz GXMXPWWQIYRPHW-UHFFFAOYSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cccc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000428714036 500547674 /nfs/dbraw/zinc/54/76/74/500547674.db2.gz XZMCBPCLEAEGIL-OAQYLSRUSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1cccc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000428714036 500547676 /nfs/dbraw/zinc/54/76/76/500547676.db2.gz XZMCBPCLEAEGIL-OAQYLSRUSA-N 2 1 353.510 3.154 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](CCC23CC4CC(CC(C4)C2)C3)C1)[C@H]1CCC[NH2+]1 ZINC000582400595 506202243 /nfs/dbraw/zinc/20/22/43/506202243.db2.gz OHDSWCKYGRSFPL-SPTIWXGTSA-N 2 1 373.585 3.173 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856227 500566216 /nfs/dbraw/zinc/56/62/16/500566216.db2.gz LPLNOLGAELSFEA-SESVDKBCSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856227 500566219 /nfs/dbraw/zinc/56/62/19/500566219.db2.gz LPLNOLGAELSFEA-SESVDKBCSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000428856227 500566221 /nfs/dbraw/zinc/56/62/21/500566221.db2.gz LPLNOLGAELSFEA-SESVDKBCSA-N 2 1 372.557 3.213 20 0 FGADMP [NH3+][C@H]1CCCCCC[C@@H]1c1nc(-c2ccc(C[NH+]3CCOCC3)cc2)no1 ZINC000442749053 500619501 /nfs/dbraw/zinc/61/95/01/500619501.db2.gz NMQSUVKUNUZVGX-OALUTQOASA-N 2 1 370.497 3.334 20 0 FGADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC(F)F ZINC000442877385 500638408 /nfs/dbraw/zinc/63/84/08/500638408.db2.gz TZYQAFOBFZNWHC-INIZCTEOSA-N 2 1 355.473 3.355 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCC4)CC1(C)C ZINC000442878798 500638813 /nfs/dbraw/zinc/63/88/13/500638813.db2.gz UTUQGCYGYMTLQF-HXUWFJFHSA-N 2 1 357.542 3.005 20 0 FGADMP C[C@@H]1CCCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000433185682 500641981 /nfs/dbraw/zinc/64/19/81/500641981.db2.gz BCGBPFUWLQPNJL-HXUWFJFHSA-N 2 1 369.553 3.233 20 0 FGADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+]3CCC[C@H](CC[NH3+])C3)cc2)cc1 ZINC000443070146 500674496 /nfs/dbraw/zinc/67/44/96/500674496.db2.gz KSYGFTXAUMZSOF-GOSISDBHSA-N 2 1 372.534 3.389 20 0 FGADMP Cc1ccc(S(=O)(=O)c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc2)cc1 ZINC000443070146 500674499 /nfs/dbraw/zinc/67/44/99/500674499.db2.gz KSYGFTXAUMZSOF-GOSISDBHSA-N 2 1 372.534 3.389 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000443072494 500674645 /nfs/dbraw/zinc/67/46/45/500674645.db2.gz NOBGTMINJIRYQL-STQMWFEESA-N 2 1 358.313 3.231 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000437864112 500709160 /nfs/dbraw/zinc/70/91/60/500709160.db2.gz IGGOZGWSUVTAQR-PMACEKPBSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000437864112 500709162 /nfs/dbraw/zinc/70/91/62/500709162.db2.gz IGGOZGWSUVTAQR-PMACEKPBSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000437864112 500709167 /nfs/dbraw/zinc/70/91/67/500709167.db2.gz IGGOZGWSUVTAQR-PMACEKPBSA-N 2 1 362.562 3.100 20 0 FGADMP c1ccc(OCCCC[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000438087414 500736306 /nfs/dbraw/zinc/73/63/06/500736306.db2.gz FRRIBMSDOAIJLF-UHFFFAOYSA-N 2 1 354.494 3.468 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545046 500799290 /nfs/dbraw/zinc/79/92/90/500799290.db2.gz KWCROTQOTALLEF-RTBURBONSA-N 2 1 359.514 3.248 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000438545046 500799293 /nfs/dbraw/zinc/79/92/93/500799293.db2.gz KWCROTQOTALLEF-RTBURBONSA-N 2 1 359.514 3.248 20 0 FGADMP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000588177931 506222188 /nfs/dbraw/zinc/22/21/88/506222188.db2.gz WBXBKTGGRAYNBY-KNTRCKAVSA-N 2 1 363.505 3.267 20 0 FGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664871 506219541 /nfs/dbraw/zinc/21/95/41/506219541.db2.gz LJPKKGIINCOKLR-XQBPLPMBSA-N 2 1 371.569 3.271 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000439141271 500862978 /nfs/dbraw/zinc/86/29/78/500862978.db2.gz MZKBKACGZSHWAY-SJORKVTESA-N 2 1 366.575 3.161 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434688155 500879778 /nfs/dbraw/zinc/87/97/78/500879778.db2.gz IYKYKKFUALKMEV-CALCHBBNSA-N 2 1 358.530 3.188 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccnn3C3CCCC3)CC2)C[C@H](C)O1 ZINC000449021864 500899995 /nfs/dbraw/zinc/89/99/95/500899995.db2.gz VXPWFARMHUNXCO-ROUUACIJSA-N 2 1 360.546 3.319 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccnn3C3CCCC3)CC2)C[C@@H](C)O1 ZINC000449021863 500900041 /nfs/dbraw/zinc/90/00/41/500900041.db2.gz VXPWFARMHUNXCO-QZTJIDSGSA-N 2 1 360.546 3.319 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc4cccnc4o3)CC2)CC1 ZINC000449037839 500908244 /nfs/dbraw/zinc/90/82/44/500908244.db2.gz POJSKLAUPYASGT-UHFFFAOYSA-N 2 1 370.541 3.456 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2cccnc2o1 ZINC000449037839 500908248 /nfs/dbraw/zinc/90/82/48/500908248.db2.gz POJSKLAUPYASGT-UHFFFAOYSA-N 3 1 370.541 3.456 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc2cccnc2o1 ZINC000449037839 500908252 /nfs/dbraw/zinc/90/82/52/500908252.db2.gz POJSKLAUPYASGT-UHFFFAOYSA-N 3 1 370.541 3.456 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000444872965 500914824 /nfs/dbraw/zinc/91/48/24/500914824.db2.gz HSLZDQSEPMXNLB-UHFFFAOYSA-N 2 1 372.557 3.204 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449103812 500925392 /nfs/dbraw/zinc/92/53/92/500925392.db2.gz CFCGFJNFHZHKOY-AWEZNQCLSA-N 2 1 358.267 3.113 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977752 500928715 /nfs/dbraw/zinc/92/87/15/500928715.db2.gz UFFNAEPMIKOUCZ-SFHVURJKSA-N 2 1 371.529 3.356 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[NH+](C)C1 ZINC000607686995 506225336 /nfs/dbraw/zinc/22/53/36/506225336.db2.gz PPZPKNTXTLLKAF-RTBURBONSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000607686995 506225342 /nfs/dbraw/zinc/22/53/42/506225342.db2.gz PPZPKNTXTLLKAF-RTBURBONSA-N 2 1 373.541 3.106 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000607686995 506225349 /nfs/dbraw/zinc/22/53/49/506225349.db2.gz PPZPKNTXTLLKAF-RTBURBONSA-N 2 1 373.541 3.106 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449168328 500939334 /nfs/dbraw/zinc/93/93/34/500939334.db2.gz MASZPDLEDDPKSV-ZACQAIPSSA-N 2 1 351.922 3.226 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449168328 500939338 /nfs/dbraw/zinc/93/93/38/500939338.db2.gz MASZPDLEDDPKSV-ZACQAIPSSA-N 2 1 351.922 3.226 20 0 FGADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168534 500939830 /nfs/dbraw/zinc/93/98/30/500939830.db2.gz DQSTXRZNDULIIK-QFBILLFUSA-N 2 1 364.555 3.048 20 0 FGADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168534 500939833 /nfs/dbraw/zinc/93/98/33/500939833.db2.gz DQSTXRZNDULIIK-QFBILLFUSA-N 2 1 364.555 3.048 20 0 FGADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)cn2)cc1 ZINC000449205934 500947357 /nfs/dbraw/zinc/94/73/57/500947357.db2.gz KRTJOANZFWIYID-SFHVURJKSA-N 2 1 356.514 3.339 20 0 FGADMP COc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC(C)C)C3)cn2)cc1 ZINC000449205934 500947360 /nfs/dbraw/zinc/94/73/60/500947360.db2.gz KRTJOANZFWIYID-SFHVURJKSA-N 2 1 356.514 3.339 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(Cc4ccc(C(F)(F)F)cc4)c3)C[C@H]12 ZINC000435388597 500965891 /nfs/dbraw/zinc/96/58/91/500965891.db2.gz HLVRJUMSJFQMPY-BPQIPLTHSA-N 2 1 364.415 3.119 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(-c3ccccc3F)s2)CC1(C)C ZINC000449300769 500971043 /nfs/dbraw/zinc/97/10/43/500971043.db2.gz FSLGDPFDVYEPQO-UHFFFAOYSA-N 2 1 362.518 3.065 20 0 FGADMP COCCn1cc(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)cn1 ZINC000449308036 500972253 /nfs/dbraw/zinc/97/22/53/500972253.db2.gz UEOFFVUZWVYJQR-UHFFFAOYSA-N 2 1 350.551 3.298 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OCc1cccnc1 ZINC000435438952 500977524 /nfs/dbraw/zinc/97/75/24/500977524.db2.gz RWJHIUFVYKBLQW-IBGZPJMESA-N 2 1 355.482 3.243 20 0 FGADMP CCn1ccnc1C[N@@H+](CCc1ccc(C)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435698294 501014157 /nfs/dbraw/zinc/01/41/57/501014157.db2.gz WETBGWDPDVYCCM-FQEVSTJZSA-N 2 1 352.526 3.398 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000449487084 501014970 /nfs/dbraw/zinc/01/49/70/501014970.db2.gz WPQWAZMKNOVSDM-AEFFLSMTSA-N 2 1 364.530 3.355 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500713 501019337 /nfs/dbraw/zinc/01/93/37/501019337.db2.gz NFJBIVKLQXBQEG-YPAWHYETSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500713 501019340 /nfs/dbraw/zinc/01/93/40/501019340.db2.gz NFJBIVKLQXBQEG-YPAWHYETSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500713 501019343 /nfs/dbraw/zinc/01/93/43/501019343.db2.gz NFJBIVKLQXBQEG-YPAWHYETSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500713 501019345 /nfs/dbraw/zinc/01/93/45/501019345.db2.gz NFJBIVKLQXBQEG-YPAWHYETSA-N 2 1 363.590 3.469 20 0 FGADMP OC[C@@H]([C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1)C1CC1 ZINC000449501462 501019640 /nfs/dbraw/zinc/01/96/40/501019640.db2.gz FNACVFZFPKGJGO-LHGONGGSSA-N 2 1 354.538 3.284 20 0 FGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440622686 501030272 /nfs/dbraw/zinc/03/02/72/501030272.db2.gz UNMVQLOBCWCEAQ-ZFWWWQNUSA-N 2 1 352.404 3.429 20 0 FGADMP C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440622686 501030275 /nfs/dbraw/zinc/03/02/75/501030275.db2.gz UNMVQLOBCWCEAQ-ZFWWWQNUSA-N 2 1 352.404 3.429 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445889740 501047183 /nfs/dbraw/zinc/04/71/83/501047183.db2.gz IIOZNNBYYNQBFO-OAHLLOKOSA-N 2 1 350.260 3.410 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+](C)[C@@H]1CCOc2ccc(Br)cc21 ZINC000445889740 501047185 /nfs/dbraw/zinc/04/71/85/501047185.db2.gz IIOZNNBYYNQBFO-OAHLLOKOSA-N 2 1 350.260 3.410 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)[nH]n1 ZINC000440797270 501049205 /nfs/dbraw/zinc/04/92/05/501049205.db2.gz DRXZHDRYSSKQFA-GFCCVEGCSA-N 2 1 358.433 3.492 20 0 FGADMP FC(F)(F)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH]n1 ZINC000440797270 501049207 /nfs/dbraw/zinc/04/92/07/501049207.db2.gz DRXZHDRYSSKQFA-GFCCVEGCSA-N 2 1 358.433 3.492 20 0 FGADMP O[C@]1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000436236195 501093692 /nfs/dbraw/zinc/09/36/92/501093692.db2.gz DPNGPYKESQUGAU-NRFANRHFSA-N 2 1 353.441 3.034 20 0 FGADMP O[C@]1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000436236195 501093695 /nfs/dbraw/zinc/09/36/95/501093695.db2.gz DPNGPYKESQUGAU-NRFANRHFSA-N 2 1 353.441 3.034 20 0 FGADMP Cc1ccc(Br)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000450366567 501101679 /nfs/dbraw/zinc/10/16/79/501101679.db2.gz UBCQOVOFUHIWQZ-HNNXBMFYSA-N 2 1 369.347 3.282 20 0 FGADMP Cc1ccc(Br)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000450366573 501101828 /nfs/dbraw/zinc/10/18/28/501101828.db2.gz UBCQOVOFUHIWQZ-OAHLLOKOSA-N 2 1 369.347 3.282 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@H](C(C)(C)C)CC3)cn2)CC1 ZINC000436402500 501120600 /nfs/dbraw/zinc/12/06/00/501120600.db2.gz XMAHHQUUAPQHDE-OALUTQOASA-N 2 1 359.562 3.313 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H](C(C)(C)C)CC3)cn2)CC1 ZINC000436402499 501120728 /nfs/dbraw/zinc/12/07/28/501120728.db2.gz XMAHHQUUAPQHDE-MOPGFXCFSA-N 2 1 359.562 3.313 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967735 501188131 /nfs/dbraw/zinc/18/81/31/501188131.db2.gz UHCKDRINBAXXPC-CRAIPNDOSA-N 2 1 357.523 3.375 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967735 501188134 /nfs/dbraw/zinc/18/81/34/501188134.db2.gz UHCKDRINBAXXPC-CRAIPNDOSA-N 2 1 357.523 3.375 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)cc1OC ZINC000453062021 501261108 /nfs/dbraw/zinc/26/11/08/501261108.db2.gz OQCHVBRZSFTFAE-FUHWJXTLSA-N 2 1 372.513 3.408 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453070149 501262849 /nfs/dbraw/zinc/26/28/49/501262849.db2.gz MODGQLSAEYGMBJ-WOJBJXKFSA-N 2 1 366.933 3.131 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)c2ccncn2)CC1 ZINC000453089387 501266338 /nfs/dbraw/zinc/26/63/38/501266338.db2.gz AZHXPBDBRFDUSE-HZPDHXFCSA-N 2 1 357.477 3.169 20 0 FGADMP CC(C)[C@H](C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453100210 501269127 /nfs/dbraw/zinc/26/91/27/501269127.db2.gz YGGUELSLFPPKIV-QUCCMNQESA-N 2 1 369.557 3.010 20 0 FGADMP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453148029 501279469 /nfs/dbraw/zinc/27/94/69/501279469.db2.gz QKLCQPUIWVCPOX-ADHNFCLRSA-N 2 1 371.569 3.130 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CCC1 ZINC000453153714 501280181 /nfs/dbraw/zinc/28/01/81/501280181.db2.gz RAFZBPABDQEPOL-BDTNDASRSA-N 2 1 369.553 3.326 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCOCC1 ZINC000453249683 501299326 /nfs/dbraw/zinc/29/93/26/501299326.db2.gz YNPHTFPERTYCLA-BHDDXSALSA-N 2 1 372.553 3.462 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453249682 501299483 /nfs/dbraw/zinc/29/94/83/501299483.db2.gz YNPHTFPERTYCLA-BDTNDASRSA-N 2 1 372.553 3.462 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)Nc1c(C)cc(C)nc1C)[NH+]1CCOCC1 ZINC000455473807 501312502 /nfs/dbraw/zinc/31/25/02/501312502.db2.gz JXMDGXHUSXJQFY-GOSISDBHSA-N 2 1 362.518 3.265 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366460 501321286 /nfs/dbraw/zinc/32/12/86/501321286.db2.gz SZJCSLGGJYPKGT-SIIHOXLZSA-N 2 1 360.452 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366460 501321288 /nfs/dbraw/zinc/32/12/88/501321288.db2.gz SZJCSLGGJYPKGT-SIIHOXLZSA-N 2 1 360.452 3.073 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2cc(F)cc(OC)c2)[C@H](C)C1 ZINC000453414390 501326874 /nfs/dbraw/zinc/32/68/74/501326874.db2.gz YSIZBFRXURTXOM-WWMYMODYSA-N 2 1 366.521 3.492 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)c1ccco1 ZINC000455880893 501405679 /nfs/dbraw/zinc/40/56/79/501405679.db2.gz SKEGMUFCEVCFQD-MSOLQXFVSA-N 2 1 356.470 3.253 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000455910850 501413248 /nfs/dbraw/zinc/41/32/48/501413248.db2.gz IWXVJNPMGIFUGM-OAQYLSRUSA-N 2 1 366.509 3.489 20 0 FGADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000455912457 501413871 /nfs/dbraw/zinc/41/38/71/501413871.db2.gz JOIYXPMSQZHHCK-GUXCAODWSA-N 2 1 358.530 3.477 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458519909 501464916 /nfs/dbraw/zinc/46/49/16/501464916.db2.gz WLBGTSFPDZBWPX-QUCCMNQESA-N 2 1 374.573 3.317 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000458533104 501467622 /nfs/dbraw/zinc/46/76/22/501467622.db2.gz NODDQGYFKULDKA-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)CC1 ZINC000456300335 501492109 /nfs/dbraw/zinc/49/21/09/501492109.db2.gz GUIQCICXVXCTGO-IBGZPJMESA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000458655018 501499703 /nfs/dbraw/zinc/49/97/03/501499703.db2.gz CDQPATXUPYIDEE-IRFCIJBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000454593430 501586730 /nfs/dbraw/zinc/58/67/30/501586730.db2.gz LMGMDURAWLTIFU-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593430 501586734 /nfs/dbraw/zinc/58/67/34/501586734.db2.gz LMGMDURAWLTIFU-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000454593430 501586738 /nfs/dbraw/zinc/58/67/38/501586738.db2.gz LMGMDURAWLTIFU-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1CN(c2ccccc2CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348702 501636282 /nfs/dbraw/zinc/63/62/82/501636282.db2.gz WUKJNDXWQXIVQI-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348702 501636285 /nfs/dbraw/zinc/63/62/85/501636285.db2.gz WUKJNDXWQXIVQI-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348702 501636287 /nfs/dbraw/zinc/63/62/87/501636287.db2.gz WUKJNDXWQXIVQI-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000459348702 501636290 /nfs/dbraw/zinc/63/62/90/501636290.db2.gz WUKJNDXWQXIVQI-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@H]1CN(c2ccccc2C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348702 501636291 /nfs/dbraw/zinc/63/62/91/501636291.db2.gz WUKJNDXWQXIVQI-AZUAARDMSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c2nccn21 ZINC000454824986 501637929 /nfs/dbraw/zinc/63/79/29/501637929.db2.gz SLLKGQOSZDLZPK-MNEFBYGVSA-N 2 1 367.497 3.099 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCc3cccc(Cl)c3)cc2)CC1 ZINC000459381213 501643232 /nfs/dbraw/zinc/64/32/32/501643232.db2.gz URXOIMCTFZHKQD-UHFFFAOYSA-N 2 1 371.912 3.060 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442172 501654342 /nfs/dbraw/zinc/65/43/42/501654342.db2.gz WVGNTUXGVCZFPE-FPOVZHCZSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442172 501654344 /nfs/dbraw/zinc/65/43/44/501654344.db2.gz WVGNTUXGVCZFPE-FPOVZHCZSA-N 2 1 358.913 3.355 20 0 FGADMP COc1cc(Br)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000459723932 501704137 /nfs/dbraw/zinc/70/41/37/501704137.db2.gz DJJCUDZBBGFGEK-CYBMUJFWSA-N 2 1 371.319 3.288 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729699 501705206 /nfs/dbraw/zinc/70/52/06/501705206.db2.gz DKSWALJXUABSSG-GJZGRUSLSA-N 2 1 367.921 3.387 20 0 FGADMP C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC000459766762 501711094 /nfs/dbraw/zinc/71/10/94/501711094.db2.gz XVNQWELZOQIZFU-XZOQPEGZSA-N 2 1 367.512 3.478 20 0 FGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(F)F ZINC000459784021 501713733 /nfs/dbraw/zinc/71/37/33/501713733.db2.gz NWIRFBAWOUQPRV-CQSZACIVSA-N 2 1 372.456 3.169 20 0 FGADMP CC(C)[C@H]1[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000459794912 501714497 /nfs/dbraw/zinc/71/44/97/501714497.db2.gz UYSKDYZPDLSKAG-LJQANCHMSA-N 2 1 357.546 3.019 20 0 FGADMP CC(C)[C@H]1[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)CC12CCCCC2 ZINC000459794912 501714500 /nfs/dbraw/zinc/71/45/00/501714500.db2.gz UYSKDYZPDLSKAG-LJQANCHMSA-N 2 1 357.546 3.019 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000481332310 501746391 /nfs/dbraw/zinc/74/63/91/501746391.db2.gz MTTDMRAIXHCCII-DOTOQJQBSA-N 2 1 371.481 3.321 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000481332310 501746395 /nfs/dbraw/zinc/74/63/95/501746395.db2.gz MTTDMRAIXHCCII-DOTOQJQBSA-N 2 1 371.481 3.321 20 0 FGADMP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294899 501779076 /nfs/dbraw/zinc/77/90/76/501779076.db2.gz AVIULMUUVJMJBC-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294899 501779080 /nfs/dbraw/zinc/77/90/80/501779080.db2.gz AVIULMUUVJMJBC-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294899 501779084 /nfs/dbraw/zinc/77/90/84/501779084.db2.gz AVIULMUUVJMJBC-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294899 501779088 /nfs/dbraw/zinc/77/90/88/501779088.db2.gz AVIULMUUVJMJBC-NRFANRHFSA-N 2 1 369.484 3.038 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(C)c2)[C@@H](C)C1 ZINC000467373659 501780103 /nfs/dbraw/zinc/78/01/03/501780103.db2.gz OOSIDGJZQXEOPN-BBRMVZONSA-N 2 1 372.294 3.420 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)c1ccccc1Cl ZINC000474305353 501783466 /nfs/dbraw/zinc/78/34/66/501783466.db2.gz AOVVLTKJBCGPCU-HXUWFJFHSA-N 2 1 371.912 3.061 20 0 FGADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474316797 501787613 /nfs/dbraw/zinc/78/76/13/501787613.db2.gz AWFFPCXXVFOWAG-FQEVSTJZSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(NCCC[NH+]1CCCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474316797 501787621 /nfs/dbraw/zinc/78/76/21/501787621.db2.gz AWFFPCXXVFOWAG-FQEVSTJZSA-N 2 1 361.505 3.172 20 0 FGADMP CC(C)[C@@H]1CN(Cc2ccccc2CN2CCO[C@H](C(C)C)C2)CCO1 ZINC000481497354 501791497 /nfs/dbraw/zinc/79/14/97/501791497.db2.gz QGJFTWUTEDYWKE-VXKWHMMOSA-N 2 1 360.542 3.400 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000485390533 501805945 /nfs/dbraw/zinc/80/59/45/501805945.db2.gz QYHOBWIFNCWLBX-IBGZPJMESA-N 2 1 372.557 3.156 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2C)cc1 ZINC000463741549 501808829 /nfs/dbraw/zinc/80/88/29/501808829.db2.gz LTJSCOCWZIDZRS-IBGZPJMESA-N 2 1 368.525 3.131 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000477903545 501824625 /nfs/dbraw/zinc/82/46/25/501824625.db2.gz CWTNMKFHTOGSMJ-GHTZIAJQSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000477903546 501824855 /nfs/dbraw/zinc/82/48/55/501824855.db2.gz CWTNMKFHTOGSMJ-NQIIRXRSSA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671594 501896187 /nfs/dbraw/zinc/89/61/87/501896187.db2.gz JBQPONCWVPFCHU-ZBFHGGJFSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671594 501896191 /nfs/dbraw/zinc/89/61/91/501896191.db2.gz JBQPONCWVPFCHU-ZBFHGGJFSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671594 501896197 /nfs/dbraw/zinc/89/61/97/501896197.db2.gz JBQPONCWVPFCHU-ZBFHGGJFSA-N 2 1 367.921 3.482 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468048125 501940717 /nfs/dbraw/zinc/94/07/17/501940717.db2.gz DYGIRSFIZLIXTO-AZUAARDMSA-N 2 1 372.557 3.338 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000474755913 501943406 /nfs/dbraw/zinc/94/34/06/501943406.db2.gz KPSXQDASQPNWCP-FQEVSTJZSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474755913 501943412 /nfs/dbraw/zinc/94/34/12/501943412.db2.gz KPSXQDASQPNWCP-FQEVSTJZSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000464327710 501956005 /nfs/dbraw/zinc/95/60/05/501956005.db2.gz FJLWVSDBGJMJJI-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000464327710 501956009 /nfs/dbraw/zinc/95/60/09/501956009.db2.gz FJLWVSDBGJMJJI-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000464327710 501956013 /nfs/dbraw/zinc/95/60/13/501956013.db2.gz FJLWVSDBGJMJJI-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351560 501963674 /nfs/dbraw/zinc/96/36/74/501963674.db2.gz LVRDIUVOCREOLN-VXKWHMMOSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000464351560 501963676 /nfs/dbraw/zinc/96/36/76/501963676.db2.gz LVRDIUVOCREOLN-VXKWHMMOSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000464351560 501963679 /nfs/dbraw/zinc/96/36/79/501963679.db2.gz LVRDIUVOCREOLN-VXKWHMMOSA-N 2 1 369.553 3.279 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCc1cccs1 ZINC000482132170 501984832 /nfs/dbraw/zinc/98/48/32/501984832.db2.gz ZKMOQCRAKGPEKG-SOLBZPMBSA-N 2 1 351.560 3.243 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000482136986 501985347 /nfs/dbraw/zinc/98/53/47/501985347.db2.gz QTSXRJRUJCPFON-AZUAARDMSA-N 2 1 359.514 3.318 20 0 FGADMP C[N@@H+](CCCNC(=O)CC[NH+]1CCc2ccccc2C1)Cc1ccccc1 ZINC000471400189 502012616 /nfs/dbraw/zinc/01/26/16/502012616.db2.gz VSXMGEIMCLOQEE-UHFFFAOYSA-N 2 1 365.521 3.073 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000482235307 502014844 /nfs/dbraw/zinc/01/48/44/502014844.db2.gz PZIYMENAECBSKI-AWEZNQCLSA-N 2 1 372.340 3.103 20 0 FGADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475018424 502022765 /nfs/dbraw/zinc/02/27/65/502022765.db2.gz UWNQRBIHSNGEHP-STZQEDGTSA-N 2 1 365.521 3.284 20 0 FGADMP CCN(C(=O)NCCC[NH+](CC)CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027157 502026669 /nfs/dbraw/zinc/02/66/69/502026669.db2.gz FLVNQSHWEWPZDO-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@H](CC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1)OCc1ccccc1 ZINC000475044594 502033359 /nfs/dbraw/zinc/03/33/59/502033359.db2.gz CKQCWQBVISYSOS-BHIFYINESA-N 2 1 373.585 3.472 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000468416438 502054057 /nfs/dbraw/zinc/05/40/57/502054057.db2.gz ILFDQWPRKAHHRE-GBESFXJTSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000468416438 502054061 /nfs/dbraw/zinc/05/40/61/502054061.db2.gz ILFDQWPRKAHHRE-GBESFXJTSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000468416438 502054062 /nfs/dbraw/zinc/05/40/62/502054062.db2.gz ILFDQWPRKAHHRE-GBESFXJTSA-N 2 1 357.542 3.408 20 0 FGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000468426894 502056185 /nfs/dbraw/zinc/05/61/85/502056185.db2.gz FOIGPTMWYAMBGD-HKBOAZHASA-N 2 1 357.542 3.298 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](CC)CC)c1 ZINC000478739911 502071977 /nfs/dbraw/zinc/07/19/77/502071977.db2.gz NGEBXMUXRWBOIR-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568548 502113403 /nfs/dbraw/zinc/11/34/03/502113403.db2.gz HFUURTMIQGOGEP-QAPCUYQASA-N 2 1 371.550 3.456 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871585 502132350 /nfs/dbraw/zinc/13/23/50/502132350.db2.gz HOWKIUUXGYFRCP-CVEARBPZSA-N 2 1 365.949 3.364 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831106 502147626 /nfs/dbraw/zinc/14/76/26/502147626.db2.gz KBOJVDKTBJKBKT-FGZHOGPDSA-N 2 1 365.521 3.218 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CC(=O)NCc1cccs1 ZINC000471840392 502151008 /nfs/dbraw/zinc/15/10/08/502151008.db2.gz SRZWNRKTEOSRLY-UYAOXDASSA-N 2 1 371.550 3.036 20 0 FGADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC(=O)NCc1cccs1 ZINC000471840392 502151011 /nfs/dbraw/zinc/15/10/11/502151011.db2.gz SRZWNRKTEOSRLY-UYAOXDASSA-N 2 1 371.550 3.036 20 0 FGADMP CC(C)N1CCC[C@@H]([N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864476 502201610 /nfs/dbraw/zinc/20/16/10/502201610.db2.gz HYJVOLIQWIVNNQ-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@@H]([N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1=O ZINC000482864476 502201618 /nfs/dbraw/zinc/20/16/18/502201618.db2.gz HYJVOLIQWIVNNQ-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1=O ZINC000482864476 502201626 /nfs/dbraw/zinc/20/16/26/502201626.db2.gz HYJVOLIQWIVNNQ-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)N1CCC[C@@H]([NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1=O ZINC000482864476 502201630 /nfs/dbraw/zinc/20/16/30/502201630.db2.gz HYJVOLIQWIVNNQ-GGAORHGYSA-N 2 1 369.553 3.374 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)s1 ZINC000482887118 502207625 /nfs/dbraw/zinc/20/76/25/502207625.db2.gz PGPWYXLOROWMDY-CQSZACIVSA-N 2 1 357.951 3.385 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(Br)ccc21 ZINC000482897282 502210456 /nfs/dbraw/zinc/21/04/56/502210456.db2.gz XCKMTMWJKVJZAK-FUHWJXTLSA-N 2 1 367.331 3.263 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000482969329 502231733 /nfs/dbraw/zinc/23/17/33/502231733.db2.gz DZSMKNRNOZDZEN-KRWDZBQOSA-N 2 1 351.922 3.181 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1)c1ccco1 ZINC000479353433 502232899 /nfs/dbraw/zinc/23/28/99/502232899.db2.gz TZTVYCXLMVHTGC-XLAORIBOSA-N 2 1 364.534 3.128 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000472155560 502251978 /nfs/dbraw/zinc/25/19/78/502251978.db2.gz KTAPCSWUVFMTLX-AHRSYUTCSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000472155560 502251983 /nfs/dbraw/zinc/25/19/83/502251983.db2.gz KTAPCSWUVFMTLX-AHRSYUTCSA-N 2 1 369.509 3.058 20 0 FGADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cccc(Br)c1 ZINC000479456141 502265337 /nfs/dbraw/zinc/26/53/37/502265337.db2.gz PCBOSHCTCQHIMR-IAGOWNOFSA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cccc(Br)c1 ZINC000479456141 502265339 /nfs/dbraw/zinc/26/53/39/502265339.db2.gz PCBOSHCTCQHIMR-IAGOWNOFSA-N 2 1 355.320 3.193 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc(C)sc2c1 ZINC000469043797 502275558 /nfs/dbraw/zinc/27/55/58/502275558.db2.gz STRFGHFYAULUJS-QGZVFWFLSA-N 2 1 374.554 3.093 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H](C)C1 ZINC000483147813 502291485 /nfs/dbraw/zinc/29/14/85/502291485.db2.gz SKFXCADURBXPJE-WIYYLYMNSA-N 2 1 356.514 3.099 20 0 FGADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269553 502292123 /nfs/dbraw/zinc/29/21/23/502292123.db2.gz WPRLMAANUWHMCA-PXNSSMCTSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269553 502292130 /nfs/dbraw/zinc/29/21/30/502292130.db2.gz WPRLMAANUWHMCA-PXNSSMCTSA-N 2 1 361.530 3.009 20 0 FGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000479547514 502293466 /nfs/dbraw/zinc/29/34/66/502293466.db2.gz UXQODPKPYCKKIU-RXVVDRJESA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534703 502293915 /nfs/dbraw/zinc/29/39/15/502293915.db2.gz SOHKJXFVQWXWBE-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465534703 502293922 /nfs/dbraw/zinc/29/39/22/502293922.db2.gz SOHKJXFVQWXWBE-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465534703 502293927 /nfs/dbraw/zinc/29/39/27/502293927.db2.gz SOHKJXFVQWXWBE-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465534702 502294104 /nfs/dbraw/zinc/29/41/04/502294104.db2.gz SOHKJXFVQWXWBE-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465534702 502294112 /nfs/dbraw/zinc/29/41/12/502294112.db2.gz SOHKJXFVQWXWBE-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465534702 502294118 /nfs/dbraw/zinc/29/41/18/502294118.db2.gz SOHKJXFVQWXWBE-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1 ZINC000465556788 502306835 /nfs/dbraw/zinc/30/68/35/502306835.db2.gz BOQCTSIHQCOUQT-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000465556788 502306838 /nfs/dbraw/zinc/30/68/38/502306838.db2.gz BOQCTSIHQCOUQT-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000465556788 502306843 /nfs/dbraw/zinc/30/68/43/502306843.db2.gz BOQCTSIHQCOUQT-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000465564653 502309630 /nfs/dbraw/zinc/30/96/30/502309630.db2.gz FVCOPFDVJLLUCE-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)CC(C)C ZINC000465581041 502315545 /nfs/dbraw/zinc/31/55/45/502315545.db2.gz XKIXPHIIOMIBLT-OALUTQOASA-N 2 1 354.583 3.259 20 0 FGADMP COC1(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)CCCC1 ZINC000483262855 502332502 /nfs/dbraw/zinc/33/25/02/502332502.db2.gz AUVDTCJYYYDKJS-UHFFFAOYSA-N 2 1 351.579 3.074 20 0 FGADMP COC1(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000483262855 502332506 /nfs/dbraw/zinc/33/25/06/502332506.db2.gz AUVDTCJYYYDKJS-UHFFFAOYSA-N 3 1 351.579 3.074 20 0 FGADMP COC1(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCCC1 ZINC000483262855 502332514 /nfs/dbraw/zinc/33/25/14/502332514.db2.gz AUVDTCJYYYDKJS-UHFFFAOYSA-N 3 1 351.579 3.074 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC(C)=C(C)C2)CC1 ZINC000483366410 502362669 /nfs/dbraw/zinc/36/26/69/502362669.db2.gz NGBUUFHMPVOYHF-UHFFFAOYSA-N 2 1 355.526 3.071 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC(C)=C(C)C2)CC1 ZINC000483366410 502362673 /nfs/dbraw/zinc/36/26/73/502362673.db2.gz NGBUUFHMPVOYHF-UHFFFAOYSA-N 2 1 355.526 3.071 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000479926099 502420941 /nfs/dbraw/zinc/42/09/41/502420941.db2.gz FRKLWKWWZQFUCG-NRFANRHFSA-N 2 1 352.478 3.305 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000465906562 502423317 /nfs/dbraw/zinc/42/33/17/502423317.db2.gz YIPTUHOAGNBSNE-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483561599 502431386 /nfs/dbraw/zinc/43/13/86/502431386.db2.gz NQSRSPWYICVXMQ-BHIFYINESA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483561599 502431390 /nfs/dbraw/zinc/43/13/90/502431390.db2.gz NQSRSPWYICVXMQ-BHIFYINESA-N 2 1 369.553 3.374 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483561599 502431395 /nfs/dbraw/zinc/43/13/95/502431395.db2.gz NQSRSPWYICVXMQ-BHIFYINESA-N 2 1 369.553 3.374 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000483619202 502444874 /nfs/dbraw/zinc/44/48/74/502444874.db2.gz FIPXIYYSQRXGMS-IBGZPJMESA-N 2 1 366.594 3.404 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000469520010 502449828 /nfs/dbraw/zinc/44/98/28/502449828.db2.gz BXRFTKIKCJRHCA-RBUKOAKNSA-N 2 1 369.619 3.174 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000469523062 502450590 /nfs/dbraw/zinc/45/05/90/502450590.db2.gz CNDXDKNIOKNUEF-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523062 502450593 /nfs/dbraw/zinc/45/05/93/502450593.db2.gz CNDXDKNIOKNUEF-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000469523062 502450599 /nfs/dbraw/zinc/45/05/99/502450599.db2.gz CNDXDKNIOKNUEF-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000469523062 502450603 /nfs/dbraw/zinc/45/06/03/502450603.db2.gz CNDXDKNIOKNUEF-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)C1 ZINC000469523062 502450608 /nfs/dbraw/zinc/45/06/08/502450608.db2.gz CNDXDKNIOKNUEF-FCEUIQTBSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)cc1 ZINC000466030164 502459578 /nfs/dbraw/zinc/45/95/78/502459578.db2.gz BHLMPFXXXMCVID-WIYYLYMNSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)cc1 ZINC000466030164 502459583 /nfs/dbraw/zinc/45/95/83/502459583.db2.gz BHLMPFXXXMCVID-WIYYLYMNSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1)C(C)C ZINC000483692677 502465765 /nfs/dbraw/zinc/46/57/65/502465765.db2.gz YJDFKOZTJSGADC-INIZCTEOSA-N 2 1 355.548 3.218 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000466147885 502489117 /nfs/dbraw/zinc/48/91/17/502489117.db2.gz YRJNABKCMWEDMZ-ICSRJNTNSA-N 2 1 360.546 3.067 20 0 FGADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c2cc(OC(F)F)ccc2[nH+]1 ZINC000480191340 502496718 /nfs/dbraw/zinc/49/67/18/502496718.db2.gz OHFPYUPCYSNKRQ-ZIAGYGMSSA-N 2 1 365.424 3.036 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC000483822121 502501615 /nfs/dbraw/zinc/50/16/15/502501615.db2.gz RZFOFXYPPFMIPP-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)N1CCOCC1 ZINC000480266333 502518419 /nfs/dbraw/zinc/51/84/19/502518419.db2.gz OQJAHDOEHUREOS-YMPZKCBVSA-N 2 1 373.585 3.234 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000469731560 502520970 /nfs/dbraw/zinc/52/09/70/502520970.db2.gz PPMUTMXLKRZKLY-ROUUACIJSA-N 2 1 369.509 3.401 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000469731560 502520971 /nfs/dbraw/zinc/52/09/71/502520971.db2.gz PPMUTMXLKRZKLY-ROUUACIJSA-N 2 1 369.509 3.401 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)[C@H](C)C1 ZINC000469771019 502539379 /nfs/dbraw/zinc/53/93/79/502539379.db2.gz XNCDKLSBHOOFHM-HBFSDRIKSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C(=O)Nc2cccc(C)c2)[C@H](C)C1 ZINC000469771019 502539383 /nfs/dbraw/zinc/53/93/83/502539383.db2.gz XNCDKLSBHOOFHM-HBFSDRIKSA-N 2 1 361.530 3.049 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000487826040 502541415 /nfs/dbraw/zinc/54/14/15/502541415.db2.gz WVVPHSPBSJQGHN-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000487826040 502541423 /nfs/dbraw/zinc/54/14/23/502541423.db2.gz WVVPHSPBSJQGHN-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000487826040 502541428 /nfs/dbraw/zinc/54/14/28/502541428.db2.gz WVVPHSPBSJQGHN-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000462785383 502572558 /nfs/dbraw/zinc/57/25/58/502572558.db2.gz PFMGAWDHKAMFIU-YPAWHYETSA-N 2 1 358.526 3.204 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000487965477 502582729 /nfs/dbraw/zinc/58/27/29/502582729.db2.gz TWJFUHGIZCYYSZ-MSOLQXFVSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000469884987 502583660 /nfs/dbraw/zinc/58/36/60/502583660.db2.gz RBXFLLXWEKXPNZ-ILWGZMRPSA-N 2 1 352.526 3.416 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000466517911 502595242 /nfs/dbraw/zinc/59/52/42/502595242.db2.gz KUPPLPOYCVNPCD-WIYYLYMNSA-N 2 1 372.557 3.261 20 0 FGADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)c1cccs1 ZINC000480604468 502617554 /nfs/dbraw/zinc/61/75/54/502617554.db2.gz BSUQVDLEZYOFQA-SFHVURJKSA-N 2 1 357.523 3.377 20 0 FGADMP C[N@H+](Cc1ccc(Br)c(Br)c1)C1CC[NH2+]CC1 ZINC000470015164 502631559 /nfs/dbraw/zinc/63/15/59/502631559.db2.gz LBDPRSLGBWJKIJ-UHFFFAOYSA-N 2 1 362.109 3.395 20 0 FGADMP C[N@@H+](Cc1ccc(Br)c(Br)c1)C1CC[NH2+]CC1 ZINC000470015164 502631563 /nfs/dbraw/zinc/63/15/63/502631563.db2.gz LBDPRSLGBWJKIJ-UHFFFAOYSA-N 2 1 362.109 3.395 20 0 FGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000480660261 502636126 /nfs/dbraw/zinc/63/61/26/502636126.db2.gz FMYBEXTWWRBSMK-UHFFFAOYSA-N 2 1 352.526 3.464 20 0 FGADMP CC(C)N(C)c1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cn1 ZINC000480660261 502636130 /nfs/dbraw/zinc/63/61/30/502636130.db2.gz FMYBEXTWWRBSMK-UHFFFAOYSA-N 2 1 352.526 3.464 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000480771661 502666476 /nfs/dbraw/zinc/66/64/76/502666476.db2.gz OQPLXZHOUVFAQI-IEBWSBKVSA-N 2 1 352.494 3.418 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000484591101 502678436 /nfs/dbraw/zinc/67/84/36/502678436.db2.gz NGRLZIUBTWHFDP-AJYBTWMASA-N 2 1 360.546 3.097 20 0 FGADMP C[NH+]1CCC(CNc2ncnc3cc(Cl)ccc32)([NH+]2CCCCC2)CC1 ZINC000463076461 502685296 /nfs/dbraw/zinc/68/52/96/502685296.db2.gz HGWSOWKNSMJOTN-UHFFFAOYSA-N 2 1 373.932 3.067 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2cc(C)ccc2OC)CC1 ZINC000488393409 502702503 /nfs/dbraw/zinc/70/25/03/502702503.db2.gz SRIUBYNDULZVQZ-KRWDZBQOSA-N 2 1 361.530 3.384 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000463222246 502724587 /nfs/dbraw/zinc/72/45/87/502724587.db2.gz KBARVFNBKKVACI-FQEVSTJZSA-N 2 1 365.521 3.414 20 0 FGADMP C[C@@H](c1ccccc1)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1 ZINC000463222246 502724590 /nfs/dbraw/zinc/72/45/90/502724590.db2.gz KBARVFNBKKVACI-FQEVSTJZSA-N 2 1 365.521 3.414 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C[NH+]1CCCC1 ZINC000481025076 502732173 /nfs/dbraw/zinc/73/21/73/502732173.db2.gz POXWQCVDKCBWCK-IAGOWNOFSA-N 2 1 357.523 3.234 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027760 502732662 /nfs/dbraw/zinc/73/26/62/502732662.db2.gz VKFLDEICIWXRGJ-UKRRQHHQSA-N 2 1 362.461 3.448 20 0 FGADMP CCN(C(=O)NCC[NH+](CC)CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473884242 502737195 /nfs/dbraw/zinc/73/71/95/502737195.db2.gz HLSPCGOTISQTSB-AZUAARDMSA-N 2 1 360.546 3.195 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1Cl ZINC000484791127 502740721 /nfs/dbraw/zinc/74/07/21/502740721.db2.gz NMKDZLUYAXSADX-ATLSCFEFSA-N 2 1 352.906 3.244 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907470 502773016 /nfs/dbraw/zinc/77/30/16/502773016.db2.gz OSZULBFXGWMPOE-QEORTHHSSA-N 2 1 370.324 3.326 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907470 502773020 /nfs/dbraw/zinc/77/30/20/502773020.db2.gz OSZULBFXGWMPOE-QEORTHHSSA-N 2 1 370.324 3.326 20 0 FGADMP CC[N@@H+](CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000474006781 502777284 /nfs/dbraw/zinc/77/72/84/502777284.db2.gz BZGSKCMSSFGCNS-RTBURBONSA-N 2 1 374.573 3.173 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923977 502778572 /nfs/dbraw/zinc/77/85/72/502778572.db2.gz VPBLQMKWIQFDBH-WBVHZDCISA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923977 502778576 /nfs/dbraw/zinc/77/85/76/502778576.db2.gz VPBLQMKWIQFDBH-WBVHZDCISA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923977 502778578 /nfs/dbraw/zinc/77/85/78/502778578.db2.gz VPBLQMKWIQFDBH-WBVHZDCISA-N 2 1 351.922 3.151 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195722 502874270 /nfs/dbraw/zinc/87/42/70/502874270.db2.gz GRMRHISHZWNLQR-ZWKOTPCHSA-N 2 1 356.432 3.481 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195719 502874768 /nfs/dbraw/zinc/87/47/68/502874768.db2.gz GRMRHISHZWNLQR-MSOLQXFVSA-N 2 1 356.432 3.481 20 0 FGADMP CC[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343927 502891472 /nfs/dbraw/zinc/89/14/72/502891472.db2.gz NBXXNHRFWOFVPF-CTNGQTDRSA-N 2 1 359.558 3.445 20 0 FGADMP COC(=O)[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501042991 502919934 /nfs/dbraw/zinc/91/99/34/502919934.db2.gz CYCJIOSIMMGZIH-HXUWFJFHSA-N 2 1 371.456 3.283 20 0 FGADMP COC(=O)[C@@H](c1ccc(F)cc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501042991 502919938 /nfs/dbraw/zinc/91/99/38/502919938.db2.gz CYCJIOSIMMGZIH-HXUWFJFHSA-N 2 1 371.456 3.283 20 0 FGADMP COCC[C@H]1CCCC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000509623060 502951479 /nfs/dbraw/zinc/95/14/79/502951479.db2.gz PWMLAPBMBKHICL-OAQYLSRUSA-N 2 1 359.558 3.337 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]Cc2cc(C(N)=O)cs2)C[N@H+]1Cc1ccccc1 ZINC000513500018 502954671 /nfs/dbraw/zinc/95/46/71/502954671.db2.gz KKIBCKSVZKVCOA-RDJZCZTQSA-N 2 1 357.523 3.237 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505708761 502971060 /nfs/dbraw/zinc/97/10/60/502971060.db2.gz FMSGXCBUGNPVOK-RTWAWAEBSA-N 2 1 370.541 3.099 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497509282 502975915 /nfs/dbraw/zinc/97/59/15/502975915.db2.gz WSKXTVIYCDZPCN-BZSNNMDCSA-N 2 1 353.457 3.122 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497509282 502975921 /nfs/dbraw/zinc/97/59/21/502975921.db2.gz WSKXTVIYCDZPCN-BZSNNMDCSA-N 2 1 353.457 3.122 20 0 FGADMP Clc1cccc(N2CC[NH+](CCCNc3[nH+]cnc4[nH]ccc43)CC2)c1 ZINC000501300161 502979697 /nfs/dbraw/zinc/97/96/97/502979697.db2.gz RVMZGZYIHNHEBX-UHFFFAOYSA-N 2 1 370.888 3.187 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000501388311 502999155 /nfs/dbraw/zinc/99/91/55/502999155.db2.gz UCVCAEMMOMFERP-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000501388311 502999160 /nfs/dbraw/zinc/99/91/60/502999160.db2.gz UCVCAEMMOMFERP-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000501388311 502999164 /nfs/dbraw/zinc/99/91/64/502999164.db2.gz UCVCAEMMOMFERP-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000505852459 502999556 /nfs/dbraw/zinc/99/95/56/502999556.db2.gz VTEOGGBCCCDHHG-RQWLHQTBSA-N 2 1 355.526 3.153 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2/C=C/c2ccccc2)CC1 ZINC000505852459 502999558 /nfs/dbraw/zinc/99/95/58/502999558.db2.gz VTEOGGBCCCDHHG-RQWLHQTBSA-N 2 1 355.526 3.153 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000501519633 503027461 /nfs/dbraw/zinc/02/74/61/503027461.db2.gz BPVSJYLCMIYPJH-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000501519633 503027466 /nfs/dbraw/zinc/02/74/66/503027466.db2.gz BPVSJYLCMIYPJH-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@H+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000513817015 503030170 /nfs/dbraw/zinc/03/01/70/503030170.db2.gz ZAMDEICESGDFQM-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP CCC[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000513817015 503030171 /nfs/dbraw/zinc/03/01/71/503030171.db2.gz ZAMDEICESGDFQM-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489784566 503033456 /nfs/dbraw/zinc/03/34/56/503033456.db2.gz WOAFWZVKXJHKFE-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501547736 503034574 /nfs/dbraw/zinc/03/45/74/503034574.db2.gz CXBHGJUXJMSPAY-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489785838 503034550 /nfs/dbraw/zinc/03/45/50/503034550.db2.gz ADFZVMHSGYEKJS-HMXCVIKNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830259 503044154 /nfs/dbraw/zinc/04/41/54/503044154.db2.gz KBWOYXWKNMEAFV-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@](C)(c3ccccc3)CC2)CC1 ZINC000510097546 503048748 /nfs/dbraw/zinc/04/87/48/503048748.db2.gz GUONVNQJSBZZQM-JOCHJYFZSA-N 2 1 357.542 3.031 20 0 FGADMP CC(C)c1ccc(-c2ncc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)s2)cc1 ZINC000489856996 503049411 /nfs/dbraw/zinc/04/94/11/503049411.db2.gz LUUJSQCQDIDLFY-LJQANCHMSA-N 2 1 370.566 3.413 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513936909 503051712 /nfs/dbraw/zinc/05/17/12/503051712.db2.gz AAWMRGOCYNFPCX-FCHUYYIVSA-N 2 1 365.521 3.111 20 0 FGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513936909 503051717 /nfs/dbraw/zinc/05/17/17/503051717.db2.gz AAWMRGOCYNFPCX-FCHUYYIVSA-N 2 1 365.521 3.111 20 0 FGADMP CC(C)[NH+](C)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000513936909 503051721 /nfs/dbraw/zinc/05/17/21/503051721.db2.gz AAWMRGOCYNFPCX-FCHUYYIVSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCCNc2ccccn2)C1 ZINC000514051026 503075600 /nfs/dbraw/zinc/07/56/00/503075600.db2.gz SXVOEEZIRPWATM-IEBWSBKVSA-N 2 1 367.497 3.018 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)[NH+]1CCCC1 ZINC000514083818 503083050 /nfs/dbraw/zinc/08/30/50/503083050.db2.gz MUPQVRQPIXFFNY-PBASOCQRSA-N 2 1 357.542 3.295 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000514094974 503085658 /nfs/dbraw/zinc/08/56/58/503085658.db2.gz PCFODLZTABFOAW-IXDOHACOSA-N 2 1 359.514 3.426 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000514138778 503096779 /nfs/dbraw/zinc/09/67/79/503096779.db2.gz SUUOKTNIOFYOAN-JOCHJYFZSA-N 2 1 365.521 3.114 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000514244956 503123894 /nfs/dbraw/zinc/12/38/94/503123894.db2.gz PPMBDXQPGYZPEK-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@H]1C ZINC000514244956 503123900 /nfs/dbraw/zinc/12/39/00/503123900.db2.gz PPMBDXQPGYZPEK-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@H]1C ZINC000514244956 503123905 /nfs/dbraw/zinc/12/39/05/503123905.db2.gz PPMBDXQPGYZPEK-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506490900 503125508 /nfs/dbraw/zinc/12/55/08/503125508.db2.gz YNXQHRJRUCAXBS-RTBURBONSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000506490900 503125510 /nfs/dbraw/zinc/12/55/10/503125510.db2.gz YNXQHRJRUCAXBS-RTBURBONSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000506490900 503125514 /nfs/dbraw/zinc/12/55/14/503125514.db2.gz YNXQHRJRUCAXBS-RTBURBONSA-N 2 1 374.525 3.438 20 0 FGADMP COC(=O)c1cccc(OCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000506490900 503125516 /nfs/dbraw/zinc/12/55/16/503125516.db2.gz YNXQHRJRUCAXBS-RTBURBONSA-N 2 1 374.525 3.438 20 0 FGADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000514588190 503142743 /nfs/dbraw/zinc/14/27/43/503142743.db2.gz YFQNVZYWKXQHRI-HDAAZOAOSA-N 2 1 354.498 3.377 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510687723 503172727 /nfs/dbraw/zinc/17/27/27/503172727.db2.gz PJNSVQOLMWHCGJ-AEFFLSMTSA-N 2 1 367.331 3.119 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cn1 ZINC000490858225 503237325 /nfs/dbraw/zinc/23/73/25/503237325.db2.gz LGIODXAKWGZAOK-HNNXBMFYSA-N 2 1 351.454 3.083 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000490988246 503256381 /nfs/dbraw/zinc/25/63/81/503256381.db2.gz LIBDDYRVPLBOEG-HXUWFJFHSA-N 2 1 360.546 3.163 20 0 FGADMP COc1ccc([C@H]2CCCCCN2C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1 ZINC000515048215 503259548 /nfs/dbraw/zinc/25/95/48/503259548.db2.gz BZDIQTJCFKFRCA-UXHICEINSA-N 2 1 373.541 3.117 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@H+](Cc4ccccc4)[C@H](C)C3)[C@@H]2C1 ZINC000515089195 503269377 /nfs/dbraw/zinc/26/93/77/503269377.db2.gz HKHBPJSFCWJXMA-ZNQXQWGRSA-N 2 1 369.553 3.276 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](Cc4ccccc4)[C@H](C)C3)[C@@H]2C1 ZINC000515089195 503269382 /nfs/dbraw/zinc/26/93/82/503269382.db2.gz HKHBPJSFCWJXMA-ZNQXQWGRSA-N 2 1 369.553 3.276 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H]2CCC[N@H+]2C)CCCC1)c1ccccc1 ZINC000502798886 503274529 /nfs/dbraw/zinc/27/45/29/503274529.db2.gz NWDWPEWACACHHU-IEBWSBKVSA-N 2 1 358.530 3.043 20 0 FGADMP COc1c(Br)cc(C[NH2+]CC(C)(C)[NH3+])cc1Br ZINC000515139126 503279381 /nfs/dbraw/zinc/27/93/81/503279381.db2.gz QUQGULDPGQIELM-UHFFFAOYSA-N 2 1 366.097 3.047 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@H]3C)cc2)C1 ZINC000502937581 503311182 /nfs/dbraw/zinc/31/11/82/503311182.db2.gz WBHKKVHQKZSBJM-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@H+](C)CC[C@H]3C)cc2)C1 ZINC000502937581 503311185 /nfs/dbraw/zinc/31/11/85/503311185.db2.gz WBHKKVHQKZSBJM-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)CC[C@H]3C)cc2)C1 ZINC000502937581 503311187 /nfs/dbraw/zinc/31/11/87/503311187.db2.gz WBHKKVHQKZSBJM-RBUKOAKNSA-N 2 1 372.557 3.154 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511412571 503316793 /nfs/dbraw/zinc/31/67/93/503316793.db2.gz DJUUFANDTLQGCK-ICSRJNTNSA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511412571 503316795 /nfs/dbraw/zinc/31/67/95/503316795.db2.gz DJUUFANDTLQGCK-ICSRJNTNSA-N 2 1 374.573 3.317 20 0 FGADMP CCOC[C@H]1CCC[N@H+]([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094399 503344981 /nfs/dbraw/zinc/34/49/81/503344981.db2.gz PBZRWVGYZZNGOU-HOTGVXAUSA-N 2 1 356.470 3.152 20 0 FGADMP CCOC[C@H]1CCCN([C@@H](C)C(=O)Nc2ccc(-c3c[nH]cn3)cc2)C1 ZINC000503094399 503344984 /nfs/dbraw/zinc/34/49/84/503344984.db2.gz PBZRWVGYZZNGOU-HOTGVXAUSA-N 2 1 356.470 3.152 20 0 FGADMP O[C@@H](C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000511580191 503347137 /nfs/dbraw/zinc/34/71/37/503347137.db2.gz WPJZGKJAQNRVGB-DOTOQJQBSA-N 2 1 358.404 3.083 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)N1CCCc2ccccc21 ZINC000503119560 503351289 /nfs/dbraw/zinc/35/12/89/503351289.db2.gz IIVRWNJKTQCGEE-HXUWFJFHSA-N 2 1 355.526 3.306 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000499186082 503351690 /nfs/dbraw/zinc/35/16/90/503351690.db2.gz AEQXIPWEXTXHPS-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000507757147 503361333 /nfs/dbraw/zinc/36/13/33/503361333.db2.gz IXPSZENJJULUEW-SFHVURJKSA-N 2 1 353.510 3.387 20 0 FGADMP Fc1cccc(-c2noc([C@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000515623099 503375942 /nfs/dbraw/zinc/37/59/42/503375942.db2.gz WRPDZOVSCUCPPS-RDJZCZTQSA-N 2 1 358.461 3.445 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2nccn2C)c2cccc(F)c2)C[C@@H](C)O1 ZINC000507896358 503390067 /nfs/dbraw/zinc/39/00/67/503390067.db2.gz DGRMMHVZWKHPMK-MBOZVWFJSA-N 2 1 374.504 3.128 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000499505125 503420057 /nfs/dbraw/zinc/42/00/57/503420057.db2.gz BOKPZXCGGCVBKF-FQEVSTJZSA-N 2 1 359.558 3.472 20 0 FGADMP COCC[NH2+]C1CC[NH+](CCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000516076107 503441436 /nfs/dbraw/zinc/44/14/36/503441436.db2.gz LKCOSDMBMJQYOB-UHFFFAOYSA-N 2 1 360.420 3.175 20 0 FGADMP COc1ncc(C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000499624187 503445270 /nfs/dbraw/zinc/44/52/70/503445270.db2.gz ICJZMAMRWUXYJB-IGOJGBNBSA-N 2 1 354.498 3.040 20 0 FGADMP COc1ncc(C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)c(C)n1 ZINC000499624187 503445276 /nfs/dbraw/zinc/44/52/76/503445276.db2.gz ICJZMAMRWUXYJB-IGOJGBNBSA-N 2 1 354.498 3.040 20 0 FGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000493951947 503465063 /nfs/dbraw/zinc/46/50/63/503465063.db2.gz FYTPDYFYPDVXSH-XMSQKQJNSA-N 2 1 354.494 3.385 20 0 FGADMP Cc1nc2ccc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@H+]5C)CC3)cc2s1 ZINC000516215310 503472481 /nfs/dbraw/zinc/47/24/81/503472481.db2.gz OYOGETILJZKBRJ-DFNIBXOVSA-N 2 1 370.566 3.348 20 0 FGADMP Cc1nc2ccc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)cc2s1 ZINC000516215310 503472485 /nfs/dbraw/zinc/47/24/85/503472485.db2.gz OYOGETILJZKBRJ-DFNIBXOVSA-N 2 1 370.566 3.348 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000494000583 503472844 /nfs/dbraw/zinc/47/28/44/503472844.db2.gz SLVDMWWCAAFOOY-UTKZUKDTSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000516241911 503479245 /nfs/dbraw/zinc/47/92/45/503479245.db2.gz XXYNWRGUYKAOTA-RCLSDMTESA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@@H]1c1ccccc1 ZINC000516241911 503479250 /nfs/dbraw/zinc/47/92/50/503479250.db2.gz XXYNWRGUYKAOTA-RCLSDMTESA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000516241911 503479253 /nfs/dbraw/zinc/47/92/53/503479253.db2.gz XXYNWRGUYKAOTA-RCLSDMTESA-N 2 1 372.557 3.051 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000516241911 503479257 /nfs/dbraw/zinc/47/92/57/503479257.db2.gz XXYNWRGUYKAOTA-RCLSDMTESA-N 2 1 372.557 3.051 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000503867327 503481068 /nfs/dbraw/zinc/48/10/68/503481068.db2.gz BLFOMQRSHLATHY-ACRUOGEOSA-N 2 1 373.541 3.256 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2c1C ZINC000508374078 503484385 /nfs/dbraw/zinc/48/43/85/503484385.db2.gz BVWHFHVPPVXYSZ-KGLIPLIRSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@@H](C)[N@H+](C)C[C@@H]3C)c2c1C ZINC000508374078 503484388 /nfs/dbraw/zinc/48/43/88/503484388.db2.gz BVWHFHVPPVXYSZ-KGLIPLIRSA-N 2 1 373.570 3.433 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1Cl ZINC000508459308 503497664 /nfs/dbraw/zinc/49/76/64/503497664.db2.gz UQMNSZRDKSRJKS-ZDUSSCGKSA-N 2 1 373.875 3.106 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2oc(CC)nc2C)CC1 ZINC000494359845 503531133 /nfs/dbraw/zinc/53/11/33/503531133.db2.gz SWYLWRSGNQTHDT-UHFFFAOYSA-N 2 1 356.514 3.367 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582079 503542395 /nfs/dbraw/zinc/54/23/95/503542395.db2.gz QRWFNDIBVGGVRM-DYXWJJEUSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000494458447 503545094 /nfs/dbraw/zinc/54/50/94/503545094.db2.gz SASKSWXRAFIHSN-JBYIUTFZSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505072 503553442 /nfs/dbraw/zinc/55/34/42/503553442.db2.gz JFBUONQDZYIWRO-SZXPJGKVSA-N 2 1 366.347 3.346 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869734 503583263 /nfs/dbraw/zinc/58/32/63/503583263.db2.gz YWTQARDQAIWNFM-AYWYSENESA-N 2 1 372.557 3.335 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000508875637 503584937 /nfs/dbraw/zinc/58/49/37/503584937.db2.gz BMJVTKWLJNSNJO-WANHGMNSSA-N 2 1 371.569 3.194 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508882795 503587515 /nfs/dbraw/zinc/58/75/15/503587515.db2.gz RHLGQADKOUEIBW-BNDYYXHWSA-N 2 1 372.557 3.254 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+](C)C ZINC000508902334 503595404 /nfs/dbraw/zinc/59/54/04/503595404.db2.gz WFXJRBMWYWGSDS-MMKMLUHNSA-N 2 1 372.557 3.112 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000516845776 503598516 /nfs/dbraw/zinc/59/85/16/503598516.db2.gz LGXUCABMUFEXOG-ROUUACIJSA-N 2 1 374.529 3.206 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000516845776 503598517 /nfs/dbraw/zinc/59/85/17/503598517.db2.gz LGXUCABMUFEXOG-ROUUACIJSA-N 2 1 374.529 3.206 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000512693378 503614824 /nfs/dbraw/zinc/61/48/24/503614824.db2.gz IMLLHSYCFYZEKN-RBUKOAKNSA-N 2 1 366.594 3.400 20 0 FGADMP C[N@@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2C1 ZINC000504835387 503622793 /nfs/dbraw/zinc/62/27/93/503622793.db2.gz OAVRXKOPUGBRBW-UHFFFAOYSA-N 2 1 363.505 3.377 20 0 FGADMP C[N@H+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)c2ccccc2C1 ZINC000504835387 503622797 /nfs/dbraw/zinc/62/27/97/503622797.db2.gz OAVRXKOPUGBRBW-UHFFFAOYSA-N 2 1 363.505 3.377 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nccc(C)c2c1 ZINC000509070904 503634903 /nfs/dbraw/zinc/63/49/03/503634903.db2.gz OTENDYFTJASYPU-LJQANCHMSA-N 2 1 368.525 3.031 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000517064010 503652768 /nfs/dbraw/zinc/65/27/68/503652768.db2.gz RZGLYEMDWXSXGM-HBFSDRIKSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000517064010 503652775 /nfs/dbraw/zinc/65/27/75/503652775.db2.gz RZGLYEMDWXSXGM-HBFSDRIKSA-N 2 1 360.546 3.242 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@H]1CC=CCC1 ZINC000543173329 503659203 /nfs/dbraw/zinc/65/92/03/503659203.db2.gz QZFMTFZLLCPGRK-SVFBPWRDSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CC=CCC1 ZINC000543173329 503659208 /nfs/dbraw/zinc/65/92/08/503659208.db2.gz QZFMTFZLLCPGRK-SVFBPWRDSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@H]1CC=CCC1 ZINC000543173329 503659214 /nfs/dbraw/zinc/65/92/14/503659214.db2.gz QZFMTFZLLCPGRK-SVFBPWRDSA-N 2 1 355.526 3.054 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719305 503677551 /nfs/dbraw/zinc/67/75/51/503677551.db2.gz XDDGRQMIXUHDFM-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719305 503677554 /nfs/dbraw/zinc/67/75/54/503677554.db2.gz XDDGRQMIXUHDFM-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719305 503677561 /nfs/dbraw/zinc/67/75/61/503677561.db2.gz XDDGRQMIXUHDFM-CTNGQTDRSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529721965 503680825 /nfs/dbraw/zinc/68/08/25/503680825.db2.gz FKXWEKPGAHZYMI-FQEVSTJZSA-N 2 1 370.541 3.130 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000517223016 503682154 /nfs/dbraw/zinc/68/21/54/503682154.db2.gz WAYGROMXWGRLCT-QGZVFWFLSA-N 2 1 358.555 3.488 20 0 FGADMP CCCc1nc2ccccc2n1CCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000536707008 503690184 /nfs/dbraw/zinc/69/01/84/503690184.db2.gz GKTXODXXCMHAEQ-IBGZPJMESA-N 2 1 356.514 3.178 20 0 FGADMP CCCc1nc2ccccc2n1CCC(=O)N1CCN(C)C[C@H]1C(C)C ZINC000536707008 503690189 /nfs/dbraw/zinc/69/01/89/503690189.db2.gz GKTXODXXCMHAEQ-IBGZPJMESA-N 2 1 356.514 3.178 20 0 FGADMP CC[C@@H](O)[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990411 503691612 /nfs/dbraw/zinc/69/16/12/503691612.db2.gz CVHNEGVOJJPVBD-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@@H](O)[C@@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990411 503691614 /nfs/dbraw/zinc/69/16/14/503691614.db2.gz CVHNEGVOJJPVBD-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990411 503691618 /nfs/dbraw/zinc/69/16/18/503691618.db2.gz CVHNEGVOJJPVBD-XSDIEEQYSA-N 2 1 354.579 3.408 20 0 FGADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cn1 ZINC000517382329 503730337 /nfs/dbraw/zinc/73/03/37/503730337.db2.gz WBELLXJNYUNMRG-OAQYLSRUSA-N 2 1 366.509 3.002 20 0 FGADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300945 503732698 /nfs/dbraw/zinc/73/26/98/503732698.db2.gz FIWWBDMTYBKZON-VQIMIIECSA-N 2 1 361.486 3.057 20 0 FGADMP c1coc(-c2noc(CN3C[C@@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)n2)c1 ZINC000517441835 503746483 /nfs/dbraw/zinc/74/64/83/503746483.db2.gz HNIYVKUHDMGOMW-MSOLQXFVSA-N 2 1 364.449 3.284 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1)CC(C)C ZINC000536927761 503763114 /nfs/dbraw/zinc/76/31/14/503763114.db2.gz UTOYCYXPPRVLHL-RTBURBONSA-N 2 1 351.579 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000536934869 503766010 /nfs/dbraw/zinc/76/60/10/503766010.db2.gz CQCMVTFIEMLEOZ-CALCHBBNSA-N 2 1 366.933 3.430 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000536934869 503766016 /nfs/dbraw/zinc/76/60/16/503766016.db2.gz CQCMVTFIEMLEOZ-CALCHBBNSA-N 2 1 366.933 3.430 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572604 503793615 /nfs/dbraw/zinc/79/36/15/503793615.db2.gz KPKUKXKKVOJVGR-KKSFZXQISA-N 2 1 358.457 3.122 20 0 FGADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572604 503793621 /nfs/dbraw/zinc/79/36/21/503793621.db2.gz KPKUKXKKVOJVGR-KKSFZXQISA-N 2 1 358.457 3.122 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc3c2CCCC3)CC1 ZINC000517650909 503797336 /nfs/dbraw/zinc/79/73/36/503797336.db2.gz HWZYESXEUVNMGU-UHFFFAOYSA-N 2 1 356.495 3.026 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000517732834 503821023 /nfs/dbraw/zinc/82/10/23/503821023.db2.gz QKHPBBLDLLLEHA-SFHVURJKSA-N 2 1 362.477 3.340 20 0 FGADMP COC(=O)c1coc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634403 503835966 /nfs/dbraw/zinc/83/59/66/503835966.db2.gz ZCCQXKCFWIZPEJ-WMZOPIPTSA-N 2 1 356.466 3.457 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4c(c3)ncn4C)CC2)C[C@H](C)O1 ZINC000537204299 503841675 /nfs/dbraw/zinc/84/16/75/503841675.db2.gz ISHDDWJJVRCZDO-HDICACEKSA-N 2 1 370.541 3.285 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCC34CCC4)c2)C1 ZINC000517850618 503850551 /nfs/dbraw/zinc/85/05/51/503850551.db2.gz XEABBQHVNCGREF-UXHICEINSA-N 2 1 355.526 3.196 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000543713762 503862349 /nfs/dbraw/zinc/86/23/49/503862349.db2.gz UTBKTEZWQLGFAU-UYAOXDASSA-N 2 1 366.509 3.077 20 0 FGADMP C[C@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000543712969 503863201 /nfs/dbraw/zinc/86/32/01/503863201.db2.gz HQUZKVPGVHVNLP-IBGZPJMESA-N 2 1 366.509 3.031 20 0 FGADMP CCOc1cc(CNCc2cccnc2-n2ccnc2)c(F)cc1OC ZINC000527637348 503869580 /nfs/dbraw/zinc/86/95/80/503869580.db2.gz YWIZLZPROGDHPG-UHFFFAOYSA-N 2 1 356.401 3.104 20 0 FGADMP CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000543740909 503874973 /nfs/dbraw/zinc/87/49/73/503874973.db2.gz BMQJLFAKMGRPEM-AEFFLSMTSA-N 2 1 358.555 3.345 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000533527631 503876324 /nfs/dbraw/zinc/87/63/24/503876324.db2.gz ZWRJMSGBXSFNQZ-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000533527631 503876331 /nfs/dbraw/zinc/87/63/31/503876331.db2.gz ZWRJMSGBXSFNQZ-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1CC1 ZINC000533527631 503876336 /nfs/dbraw/zinc/87/63/36/503876336.db2.gz ZWRJMSGBXSFNQZ-HDICACEKSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530220467 503882056 /nfs/dbraw/zinc/88/20/56/503882056.db2.gz OGJMEWFVSCBMRR-DOMZBBRYSA-N 2 1 366.303 3.040 20 0 FGADMP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000533560078 503888791 /nfs/dbraw/zinc/88/87/91/503888791.db2.gz SUULMIXZAUVQNH-CQSZACIVSA-N 2 1 374.435 3.244 20 0 FGADMP Fc1cc(Br)cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530241276 503889750 /nfs/dbraw/zinc/88/97/50/503889750.db2.gz PINMUDANFDVKLC-QGZVFWFLSA-N 2 1 371.294 3.179 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247623 503893211 /nfs/dbraw/zinc/89/32/11/503893211.db2.gz BBAIVIPAFFKXBX-QFIPXVFZSA-N 3 1 373.585 3.235 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247623 503893215 /nfs/dbraw/zinc/89/32/15/503893215.db2.gz BBAIVIPAFFKXBX-QFIPXVFZSA-N 2 1 373.585 3.235 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691344 503897721 /nfs/dbraw/zinc/89/77/21/503897721.db2.gz JMXNHCZBJQKSIT-YFVAEKQCSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527691344 503897724 /nfs/dbraw/zinc/89/77/24/503897724.db2.gz JMXNHCZBJQKSIT-YFVAEKQCSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527691344 503897727 /nfs/dbraw/zinc/89/77/27/503897727.db2.gz JMXNHCZBJQKSIT-YFVAEKQCSA-N 2 1 370.541 3.138 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527703652 503902705 /nfs/dbraw/zinc/90/27/05/503902705.db2.gz RKRRHVWXRPZXRL-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527703652 503902711 /nfs/dbraw/zinc/90/27/11/503902711.db2.gz RKRRHVWXRPZXRL-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000543864543 503921168 /nfs/dbraw/zinc/92/11/68/503921168.db2.gz HWFOREUMGMKYIV-HKUYNNGSSA-N 2 1 367.896 3.213 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500858 503934630 /nfs/dbraw/zinc/93/46/30/503934630.db2.gz OONQVJMPOZHOJH-JCGIZDLHSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500858 503934637 /nfs/dbraw/zinc/93/46/37/503934637.db2.gz OONQVJMPOZHOJH-JCGIZDLHSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500858 503934641 /nfs/dbraw/zinc/93/46/41/503934641.db2.gz OONQVJMPOZHOJH-JCGIZDLHSA-N 2 1 367.896 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000537500858 503934646 /nfs/dbraw/zinc/93/46/46/503934646.db2.gz OONQVJMPOZHOJH-JCGIZDLHSA-N 2 1 367.896 3.071 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000540913520 503936009 /nfs/dbraw/zinc/93/60/09/503936009.db2.gz SSNHUYWLFRSNHQ-IEBWSBKVSA-N 2 1 352.482 3.152 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COCc2ccccc2Cl)C1 ZINC000518362217 503962832 /nfs/dbraw/zinc/96/28/32/503962832.db2.gz KNSHSRYKPAAMRW-HKUYNNGSSA-N 2 1 368.949 3.175 20 0 FGADMP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1(C)C ZINC000540988591 503966163 /nfs/dbraw/zinc/96/61/63/503966163.db2.gz NVVPSNVJZIYBGS-NJDAHSKKSA-N 2 1 360.542 3.327 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3cc(F)c(Cl)cc32)CC1 ZINC000527860811 503975894 /nfs/dbraw/zinc/97/58/94/503975894.db2.gz YHYFNUFBVPPKOE-IBGZPJMESA-N 2 1 353.913 3.330 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)[C@@H]1CC12CC2 ZINC000527859862 503976150 /nfs/dbraw/zinc/97/61/50/503976150.db2.gz RMOXCCYWRYQMQR-UTKZUKDTSA-N 2 1 358.526 3.454 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000537617291 503976807 /nfs/dbraw/zinc/97/68/07/503976807.db2.gz AQESRLYSAIIXCX-DOTOQJQBSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)[C@@H](C)C2)cc1OC ZINC000537617291 503976812 /nfs/dbraw/zinc/97/68/12/503976812.db2.gz AQESRLYSAIIXCX-DOTOQJQBSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)cc1OC ZINC000537617291 503976818 /nfs/dbraw/zinc/97/68/18/503976818.db2.gz AQESRLYSAIIXCX-DOTOQJQBSA-N 2 1 350.503 3.407 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cc1OC ZINC000537617291 503976823 /nfs/dbraw/zinc/97/68/23/503976823.db2.gz AQESRLYSAIIXCX-DOTOQJQBSA-N 2 1 350.503 3.407 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438129 503984014 /nfs/dbraw/zinc/98/40/14/503984014.db2.gz MIUVVHNKIMBMAG-GHTZIAJQSA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438129 503984017 /nfs/dbraw/zinc/98/40/17/503984017.db2.gz MIUVVHNKIMBMAG-GHTZIAJQSA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438129 503984024 /nfs/dbraw/zinc/98/40/24/503984024.db2.gz MIUVVHNKIMBMAG-GHTZIAJQSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000518457683 503990375 /nfs/dbraw/zinc/99/03/75/503990375.db2.gz IWSUUKPWHKPROZ-KGVIQGDOSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000518457683 503990387 /nfs/dbraw/zinc/99/03/87/503990387.db2.gz IWSUUKPWHKPROZ-KGVIQGDOSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000518460442 503992129 /nfs/dbraw/zinc/99/21/29/503992129.db2.gz DIXSORFAXOJXJX-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000518460442 503992136 /nfs/dbraw/zinc/99/21/36/503992136.db2.gz DIXSORFAXOJXJX-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000518460442 503992139 /nfs/dbraw/zinc/99/21/39/503992139.db2.gz DIXSORFAXOJXJX-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)Oc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000537660880 503996259 /nfs/dbraw/zinc/99/62/59/503996259.db2.gz LAGQSQSYZIDXDK-UHFFFAOYSA-N 2 1 359.558 3.464 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000527915133 503997923 /nfs/dbraw/zinc/99/79/23/503997923.db2.gz MJXBAKZSOIULRT-HLAWJBBLSA-N 2 1 353.514 3.078 20 0 FGADMP CCn1nncc1C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000527915133 503997929 /nfs/dbraw/zinc/99/79/29/503997929.db2.gz MJXBAKZSOIULRT-HLAWJBBLSA-N 2 1 353.514 3.078 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527943597 504009187 /nfs/dbraw/zinc/00/91/87/504009187.db2.gz ALTUVCNHQMHUNL-BVYCBKJFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000527943597 504009195 /nfs/dbraw/zinc/00/91/95/504009195.db2.gz ALTUVCNHQMHUNL-BVYCBKJFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527943597 504009202 /nfs/dbraw/zinc/00/92/02/504009202.db2.gz ALTUVCNHQMHUNL-BVYCBKJFSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@H]1NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527943597 504009207 /nfs/dbraw/zinc/00/92/07/504009207.db2.gz ALTUVCNHQMHUNL-BVYCBKJFSA-N 2 1 356.558 3.289 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)C1 ZINC000530623929 504030047 /nfs/dbraw/zinc/03/00/47/504030047.db2.gz XYEMPYJLJQCKMD-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000530623929 504030050 /nfs/dbraw/zinc/03/00/50/504030050.db2.gz XYEMPYJLJQCKMD-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000530623929 504030053 /nfs/dbraw/zinc/03/00/53/504030053.db2.gz XYEMPYJLJQCKMD-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000530623929 504030055 /nfs/dbraw/zinc/03/00/55/504030055.db2.gz XYEMPYJLJQCKMD-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000530623929 504030059 /nfs/dbraw/zinc/03/00/59/504030059.db2.gz XYEMPYJLJQCKMD-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H]3c4ccccc4C(=O)N3C)CC2)C1 ZINC000528008090 504038383 /nfs/dbraw/zinc/03/83/83/504038383.db2.gz WIKHDQKPUSVFAS-PLMTUMEDSA-N 2 1 355.526 3.446 20 0 FGADMP COCCOc1ccc([C@@H](C)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528015428 504040320 /nfs/dbraw/zinc/04/03/20/504040320.db2.gz XKJOPUAIBMJHRA-VQIMIIECSA-N 2 1 362.514 3.388 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281084 504046711 /nfs/dbraw/zinc/04/67/11/504046711.db2.gz XISDDCADLZRXJS-KSZLIROESA-N 2 1 356.432 3.388 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281084 504046717 /nfs/dbraw/zinc/04/67/17/504046717.db2.gz XISDDCADLZRXJS-KSZLIROESA-N 2 1 356.432 3.388 20 0 FGADMP Cc1ccc(CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000530707908 504058692 /nfs/dbraw/zinc/05/86/92/504058692.db2.gz DYNDILMLHHBMCF-UHFFFAOYSA-N 2 1 358.511 3.165 20 0 FGADMP C[N@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518771137 504058654 /nfs/dbraw/zinc/05/86/54/504058654.db2.gz JVJRFSZQZORQJQ-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP C[N@@H+](CCCNC(=O)C1CCC1)[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518771137 504058658 /nfs/dbraw/zinc/05/86/58/504058658.db2.gz JVJRFSZQZORQJQ-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518771137 504058664 /nfs/dbraw/zinc/05/86/64/504058664.db2.gz JVJRFSZQZORQJQ-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](CCCNC(=O)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000518771137 504058667 /nfs/dbraw/zinc/05/86/67/504058667.db2.gz JVJRFSZQZORQJQ-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1(C)C ZINC000547320687 504060961 /nfs/dbraw/zinc/06/09/61/504060961.db2.gz CCWFFDQYFSQLFF-YTQUADARSA-N 2 1 365.587 3.218 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c2cccs2)CC1 ZINC000547394272 504089552 /nfs/dbraw/zinc/08/95/52/504089552.db2.gz LROJOJUNOGSVAR-UYAOXDASSA-N 2 1 374.529 3.312 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1)CC1CC1 ZINC000541326285 504090419 /nfs/dbraw/zinc/09/04/19/504090419.db2.gz WMDPZGOWAGXHLF-OAHLLOKOSA-N 2 1 350.507 3.111 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1)CC1CC1 ZINC000541326285 504090422 /nfs/dbraw/zinc/09/04/22/504090422.db2.gz WMDPZGOWAGXHLF-OAHLLOKOSA-N 2 1 350.507 3.111 20 0 FGADMP C[NH+](C)C(C)(C)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000530804516 504091366 /nfs/dbraw/zinc/09/13/66/504091366.db2.gz QZXPBQIKGPKDQK-UHFFFAOYSA-N 2 1 353.510 3.145 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)c1 ZINC000528150672 504093629 /nfs/dbraw/zinc/09/36/29/504093629.db2.gz SELVFBABDWTYOX-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)c1 ZINC000528150672 504093636 /nfs/dbraw/zinc/09/36/36/504093636.db2.gz SELVFBABDWTYOX-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c1 ZINC000528150672 504093640 /nfs/dbraw/zinc/09/36/40/504093640.db2.gz SELVFBABDWTYOX-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977240 504100714 /nfs/dbraw/zinc/10/07/14/504100714.db2.gz ZRNKVZPDRKHZBS-IEBWSBKVSA-N 2 1 371.550 3.368 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCNC(=O)c1cccs1 ZINC000537977240 504100720 /nfs/dbraw/zinc/10/07/20/504100720.db2.gz ZRNKVZPDRKHZBS-IEBWSBKVSA-N 2 1 371.550 3.368 20 0 FGADMP CC1(C)CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000544358574 504103005 /nfs/dbraw/zinc/10/30/05/504103005.db2.gz CZPKSCSDGSKEBA-LJQANCHMSA-N 2 1 359.514 3.016 20 0 FGADMP Cc1ccc(CC[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000538046539 504123683 /nfs/dbraw/zinc/12/36/83/504123683.db2.gz XPUNSIJDYGZVSV-PMACEKPBSA-N 2 1 360.542 3.128 20 0 FGADMP C[C@H](C[NH+]1CC[C@@H](C2CCOCC2)C1)C[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000534380915 504125940 /nfs/dbraw/zinc/12/59/40/504125940.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](C2CCOCC2)C1)C[N@@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380915 504125946 /nfs/dbraw/zinc/12/59/46/504125946.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 2 1 364.574 3.120 20 0 FGADMP C[C@@H](C[NH+]1CC[C@H](C2CCOCC2)C1)C[N@H+]1CC[C@@H](C2CCOCC2)C1 ZINC000534380915 504125950 /nfs/dbraw/zinc/12/59/50/504125950.db2.gz UKDUIEPIPNKAEV-RGPKIKJVSA-N 2 1 364.574 3.120 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000528268358 504139043 /nfs/dbraw/zinc/13/90/43/504139043.db2.gz SKTBRRKSYLXSRT-YPAWHYETSA-N 2 1 371.569 3.381 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000528268358 504139046 /nfs/dbraw/zinc/13/90/46/504139046.db2.gz SKTBRRKSYLXSRT-YPAWHYETSA-N 2 1 371.569 3.381 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000528268358 504139048 /nfs/dbraw/zinc/13/90/48/504139048.db2.gz SKTBRRKSYLXSRT-YPAWHYETSA-N 2 1 371.569 3.381 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178078 504159213 /nfs/dbraw/zinc/15/92/13/504159213.db2.gz ZBJPBWGIZONVOO-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204727 504165229 /nfs/dbraw/zinc/16/52/29/504165229.db2.gz AFLJWNWGADLKSO-ROUUACIJSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)[N@H+](C)C1CC1 ZINC000519204727 504165232 /nfs/dbraw/zinc/16/52/32/504165232.db2.gz AFLJWNWGADLKSO-ROUUACIJSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)[N@@H+](C)C1CC1 ZINC000519204727 504165234 /nfs/dbraw/zinc/16/52/34/504165234.db2.gz AFLJWNWGADLKSO-ROUUACIJSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541603697 504195036 /nfs/dbraw/zinc/19/50/36/504195036.db2.gz ULKQNGGKUFKFJP-KSGIWGQPSA-N 2 1 373.585 3.170 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1C2CC3CC(C2)CC1C3)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541603697 504195039 /nfs/dbraw/zinc/19/50/39/504195039.db2.gz ULKQNGGKUFKFJP-KSGIWGQPSA-N 2 1 373.585 3.170 20 0 FGADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000531136045 504199617 /nfs/dbraw/zinc/19/96/17/504199617.db2.gz CCFCRFLPOLGOBA-HXUWFJFHSA-N 2 1 366.509 3.302 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc(CO)ccc3F)CC2)C[C@H](C)O1 ZINC000528395360 504204408 /nfs/dbraw/zinc/20/44/08/504204408.db2.gz KIEWZLVVXPYADV-CALCHBBNSA-N 2 1 364.505 3.029 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)CC[N@@H+](C)C3CCCCC3)c2)CC1 ZINC000547736738 504205159 /nfs/dbraw/zinc/20/51/59/504205159.db2.gz KTLRRKHPBRZXMC-UHFFFAOYSA-N 2 1 372.557 3.422 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000531147519 504206929 /nfs/dbraw/zinc/20/69/29/504206929.db2.gz RYNAKEYCBIPIAN-KRWDZBQOSA-N 2 1 359.514 3.350 20 0 FGADMP Cc1ccc([C@H](CNc2cc[nH+]c(N3CCCCC3)n2)[NH+]2CCCC2)o1 ZINC000544677830 504213511 /nfs/dbraw/zinc/21/35/11/504213511.db2.gz ZGIULVUTUXYOLL-KRWDZBQOSA-N 2 1 355.486 3.039 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000544703679 504226983 /nfs/dbraw/zinc/22/69/83/504226983.db2.gz ZRZVMSVELFMITE-UHFFFAOYSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000531246353 504242129 /nfs/dbraw/zinc/24/21/29/504242129.db2.gz QBXPCVGZZPYFAB-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000528485515 504243489 /nfs/dbraw/zinc/24/34/89/504243489.db2.gz LCEHGFZGWDSIPE-BHDDXSALSA-N 2 1 371.569 3.239 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000528485515 504243497 /nfs/dbraw/zinc/24/34/97/504243497.db2.gz LCEHGFZGWDSIPE-BHDDXSALSA-N 2 1 371.569 3.239 20 0 FGADMP CC(C)C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000528485515 504243505 /nfs/dbraw/zinc/24/35/05/504243505.db2.gz LCEHGFZGWDSIPE-BHDDXSALSA-N 2 1 371.569 3.239 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539631 504245861 /nfs/dbraw/zinc/24/58/61/504245861.db2.gz CHXRJOLDUYRIHY-HKUYNNGSSA-N 2 1 369.534 3.482 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000531290711 504254264 /nfs/dbraw/zinc/25/42/64/504254264.db2.gz UKAGOIYGBRGLOC-UHFFFAOYSA-N 2 1 352.482 3.194 20 0 FGADMP Cc1cc(NC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cnc1N1CCCC[C@@H]1C ZINC000541878196 504286346 /nfs/dbraw/zinc/28/63/46/504286346.db2.gz ZYGZONUPIKSRBR-IRXDYDNUSA-N 2 1 359.518 3.232 20 0 FGADMP Cc1noc(CCC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000534963454 504295119 /nfs/dbraw/zinc/29/51/19/504295119.db2.gz BCEONEYCOVHYJY-UHFFFAOYSA-N 2 1 354.498 3.299 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000538680479 504325251 /nfs/dbraw/zinc/32/52/51/504325251.db2.gz BOVNFCATRYUANE-QGZVFWFLSA-N 2 1 366.509 3.104 20 0 FGADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c(C)s1 ZINC000531611875 504363509 /nfs/dbraw/zinc/36/35/09/504363509.db2.gz CFHSEALUQALHOE-IBGZPJMESA-N 2 1 371.550 3.352 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)c1 ZINC000519934170 504387617 /nfs/dbraw/zinc/38/76/17/504387617.db2.gz XKLSQLMGVYXMBO-QZTJIDSGSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000519934170 504387622 /nfs/dbraw/zinc/38/76/22/504387622.db2.gz XKLSQLMGVYXMBO-QZTJIDSGSA-N 2 1 360.546 3.200 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000519934170 504387627 /nfs/dbraw/zinc/38/76/27/504387627.db2.gz XKLSQLMGVYXMBO-QZTJIDSGSA-N 2 1 360.546 3.200 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000531676883 504389497 /nfs/dbraw/zinc/38/94/97/504389497.db2.gz GXIGJSJRVZAGHB-VQIMIIECSA-N 2 1 359.539 3.396 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000531689058 504393908 /nfs/dbraw/zinc/39/39/08/504393908.db2.gz HERVOJZAPVGVNQ-CQSZACIVSA-N 2 1 355.910 3.386 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725724 504405445 /nfs/dbraw/zinc/40/54/45/504405445.db2.gz VIRATTFJHCWLPB-WWGRRREGSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725724 504405448 /nfs/dbraw/zinc/40/54/48/504405448.db2.gz VIRATTFJHCWLPB-WWGRRREGSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185715 504430588 /nfs/dbraw/zinc/43/05/88/504430588.db2.gz WEASFEAPMBWHLV-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520185715 504430593 /nfs/dbraw/zinc/43/05/93/504430593.db2.gz WEASFEAPMBWHLV-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520185715 504430595 /nfs/dbraw/zinc/43/05/95/504430595.db2.gz WEASFEAPMBWHLV-DYXWJJEUSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1)C1CC1 ZINC000520226419 504440740 /nfs/dbraw/zinc/44/07/40/504440740.db2.gz QNPKFIPBRAHSMT-PMACEKPBSA-N 2 1 355.526 3.133 20 0 FGADMP CC[N@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000542358916 504461890 /nfs/dbraw/zinc/46/18/90/504461890.db2.gz LAOQHKIKLRGEFT-SFHVURJKSA-N 2 1 360.546 3.340 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C(C)C ZINC000542358916 504461895 /nfs/dbraw/zinc/46/18/95/504461895.db2.gz LAOQHKIKLRGEFT-SFHVURJKSA-N 2 1 360.546 3.340 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000520378583 504482753 /nfs/dbraw/zinc/48/27/53/504482753.db2.gz JRPRCORTCBCAJY-UXHICEINSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000520378583 504482757 /nfs/dbraw/zinc/48/27/57/504482757.db2.gz JRPRCORTCBCAJY-UXHICEINSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000520378583 504482760 /nfs/dbraw/zinc/48/27/60/504482760.db2.gz JRPRCORTCBCAJY-UXHICEINSA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000539146499 504487213 /nfs/dbraw/zinc/48/72/13/504487213.db2.gz FQCPREXQSXRARD-HOTGVXAUSA-N 2 1 366.468 3.309 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000542472394 504504412 /nfs/dbraw/zinc/50/44/12/504504412.db2.gz KUWCCXNIELXZRH-FXAWDEMLSA-N 2 1 363.452 3.396 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539295054 504521906 /nfs/dbraw/zinc/52/19/06/504521906.db2.gz JENRHOVGSVOZDK-VGSWGCGISA-N 2 1 354.542 3.470 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539295054 504521908 /nfs/dbraw/zinc/52/19/08/504521908.db2.gz JENRHOVGSVOZDK-VGSWGCGISA-N 2 1 354.542 3.470 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000539311177 504525820 /nfs/dbraw/zinc/52/58/20/504525820.db2.gz FRGHXJILUBSTAJ-QGZVFWFLSA-N 3 1 373.520 3.213 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542529460 504528221 /nfs/dbraw/zinc/52/82/21/504528221.db2.gz FFJMZWPAQYQCNE-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542529460 504528227 /nfs/dbraw/zinc/52/82/27/504528227.db2.gz FFJMZWPAQYQCNE-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749659 504529115 /nfs/dbraw/zinc/52/91/15/504529115.db2.gz DGNYETDWKVSMPM-SFHLNBCPSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749659 504529119 /nfs/dbraw/zinc/52/91/19/504529119.db2.gz DGNYETDWKVSMPM-SFHLNBCPSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000535749659 504529126 /nfs/dbraw/zinc/52/91/26/504529126.db2.gz DGNYETDWKVSMPM-SFHLNBCPSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534338 504530555 /nfs/dbraw/zinc/53/05/55/504530555.db2.gz STQABIYTYDCYDE-BJLQDIEVSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534338 504530557 /nfs/dbraw/zinc/53/05/57/504530557.db2.gz STQABIYTYDCYDE-BJLQDIEVSA-N 2 1 357.542 3.449 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](CC(C)(C)C)c3ccccc3)cn2)CC1 ZINC000532141499 504548641 /nfs/dbraw/zinc/54/86/41/504548641.db2.gz BZHIUNUKURCZTM-HXUWFJFHSA-N 2 1 367.541 3.496 20 0 FGADMP COc1ccc([C@@H](C)C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000539381632 504549109 /nfs/dbraw/zinc/54/91/09/504549109.db2.gz JNVXDXJWZXGQTP-FXAWDEMLSA-N 2 1 373.566 3.439 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756144 504574976 /nfs/dbraw/zinc/57/49/76/504574976.db2.gz FCUMQOPHXSNHJR-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756144 504574982 /nfs/dbraw/zinc/57/49/82/504574982.db2.gz FCUMQOPHXSNHJR-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756144 504574986 /nfs/dbraw/zinc/57/49/86/504574986.db2.gz FCUMQOPHXSNHJR-KURKYZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[N@H+]1CC[C@H](C(=O)N2CC(C)(C)[C@@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971094 504618411 /nfs/dbraw/zinc/61/84/11/504618411.db2.gz BUBCMRQHAKEZII-SFTDATJTSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)C1 ZINC000529290645 504621854 /nfs/dbraw/zinc/62/18/54/504621854.db2.gz UJBRJIVYRJXHGC-XLIONFOSSA-N 2 1 370.541 3.002 20 0 FGADMP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426924 504731620 /nfs/dbraw/zinc/73/16/20/504731620.db2.gz DATJKOFBLQTJNU-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426924 504731626 /nfs/dbraw/zinc/73/16/26/504731626.db2.gz DATJKOFBLQTJNU-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+](CCNCc1c(Cl)cccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000539954332 504747040 /nfs/dbraw/zinc/74/70/40/504747040.db2.gz CEHZKWHWPZLANO-UHFFFAOYSA-N 2 1 364.965 3.056 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CCCC1 ZINC000521593334 504761975 /nfs/dbraw/zinc/76/19/75/504761975.db2.gz YPSRWOBJNVCGDE-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000532842177 504766124 /nfs/dbraw/zinc/76/61/24/504766124.db2.gz HUFLRRWIPBOYFI-KRWDZBQOSA-N 2 1 362.562 3.173 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000556118991 504800387 /nfs/dbraw/zinc/80/03/87/504800387.db2.gz XAMIUZJTZVQBDU-SBHAEUEKSA-N 2 1 352.478 3.424 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)C2 ZINC000556118991 504800391 /nfs/dbraw/zinc/80/03/91/504800391.db2.gz XAMIUZJTZVQBDU-SBHAEUEKSA-N 2 1 352.478 3.424 20 0 FGADMP Cc1cnn(CCCCC[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000565144844 504807169 /nfs/dbraw/zinc/80/71/69/504807169.db2.gz FOJMLHOTRQWKBK-BGYRXZFFSA-N 2 1 362.562 3.183 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000556194594 504816931 /nfs/dbraw/zinc/81/69/31/504816931.db2.gz WDDFXFGFZJJCKA-DLBZAZTESA-N 2 1 363.303 3.071 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000556194594 504816933 /nfs/dbraw/zinc/81/69/33/504816933.db2.gz WDDFXFGFZJJCKA-DLBZAZTESA-N 2 1 363.303 3.071 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)(C)n1cncn1 ZINC000556234659 504825271 /nfs/dbraw/zinc/82/52/71/504825271.db2.gz WLKZSPBRQKQNDA-QZTJIDSGSA-N 2 1 355.530 3.423 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000556239019 504826274 /nfs/dbraw/zinc/82/62/74/504826274.db2.gz ATPPUWWIMWHZJR-IERDGZPVSA-N 2 1 373.516 3.342 20 0 FGADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1csc2c1cccc2Br ZINC000565238847 504832316 /nfs/dbraw/zinc/83/23/16/504832316.db2.gz SNMNJOMUWFNPCH-HNNXBMFYSA-N 2 1 357.317 3.066 20 0 FGADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000556570157 504906563 /nfs/dbraw/zinc/90/65/63/504906563.db2.gz CZKCWSUGBLGDMQ-FQEVSTJZSA-N 2 1 358.530 3.273 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553427145 504911774 /nfs/dbraw/zinc/91/17/74/504911774.db2.gz RIFUJKIJAPXYSG-LJQANCHMSA-N 2 1 365.521 3.137 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000553427145 504911776 /nfs/dbraw/zinc/91/17/76/504911776.db2.gz RIFUJKIJAPXYSG-LJQANCHMSA-N 2 1 365.521 3.137 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559741803 504920368 /nfs/dbraw/zinc/92/03/68/504920368.db2.gz WTMVUWYDOONUHS-NYVOZVTQSA-N 2 1 356.485 3.402 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559741803 504920374 /nfs/dbraw/zinc/92/03/74/504920374.db2.gz WTMVUWYDOONUHS-NYVOZVTQSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000562767650 504938887 /nfs/dbraw/zinc/93/88/87/504938887.db2.gz LGIBUMMJVGBOPZ-APWZRJJASA-N 2 1 364.493 3.117 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)c1ccccc1 ZINC000553528553 504941718 /nfs/dbraw/zinc/94/17/18/504941718.db2.gz QVNZDCXNFSFEMH-RXVVDRJESA-N 2 1 357.542 3.402 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550150350 504978758 /nfs/dbraw/zinc/97/87/58/504978758.db2.gz KYSMKNGDHAPFNL-SFHVURJKSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550150350 504978763 /nfs/dbraw/zinc/97/87/63/504978763.db2.gz KYSMKNGDHAPFNL-SFHVURJKSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000550150350 504978765 /nfs/dbraw/zinc/97/87/65/504978765.db2.gz KYSMKNGDHAPFNL-SFHVURJKSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000550150350 504978769 /nfs/dbraw/zinc/97/87/69/504978769.db2.gz KYSMKNGDHAPFNL-SFHVURJKSA-N 2 1 361.505 3.125 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC000556862784 504998962 /nfs/dbraw/zinc/99/89/62/504998962.db2.gz ALSVUGNJYWYESK-YYWHXJBOSA-N 2 1 363.496 3.392 20 0 FGADMP CN(C)[C@@]1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCSC1 ZINC000556870003 505000971 /nfs/dbraw/zinc/00/09/71/505000971.db2.gz BAKSWUKHEAZIPK-XVAXZDLZSA-N 3 1 361.599 3.457 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000562994211 505013147 /nfs/dbraw/zinc/01/31/47/505013147.db2.gz AQLHCYTXKCZAAY-UTKZUKDTSA-N 2 1 372.484 3.381 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000556925966 505019388 /nfs/dbraw/zinc/01/93/88/505019388.db2.gz PSPFFCCTTDAJKH-NRFANRHFSA-N 2 1 356.514 3.113 20 0 FGADMP C[C@H](CC(=O)N1CCN(Cc2cccc3ccccc32)CC1)n1ccnc1 ZINC000557027360 505047845 /nfs/dbraw/zinc/04/78/45/505047845.db2.gz PQLOBGYTWIBUKT-GOSISDBHSA-N 2 1 362.477 3.332 20 0 FGADMP CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000563122791 505053144 /nfs/dbraw/zinc/05/31/44/505053144.db2.gz DMJGFNHOZQTMLZ-YSTOQKLRSA-N 2 1 355.526 3.171 20 0 FGADMP CC(C)(C)N1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1=O ZINC000563122791 505053149 /nfs/dbraw/zinc/05/31/49/505053149.db2.gz DMJGFNHOZQTMLZ-YSTOQKLRSA-N 2 1 355.526 3.171 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000566006845 505053238 /nfs/dbraw/zinc/05/32/38/505053238.db2.gz SJDTTZWYBPDCCW-QFIPXVFZSA-N 2 1 365.521 3.162 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000566006845 505053242 /nfs/dbraw/zinc/05/32/42/505053242.db2.gz SJDTTZWYBPDCCW-QFIPXVFZSA-N 2 1 365.521 3.162 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000557179972 505085891 /nfs/dbraw/zinc/08/58/91/505085891.db2.gz SJOLZZOJXUDRMT-LLVKDONJSA-N 2 1 366.259 3.109 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCOc3ccc4c(c3)OCO4)CC2)cc1 ZINC000557254302 505099356 /nfs/dbraw/zinc/09/93/56/505099356.db2.gz ASGJIPOKICMHNO-UHFFFAOYSA-N 2 1 368.477 3.091 20 0 FGADMP C[C@H]1C[NH+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)c2)C[C@H](C)O1 ZINC000566184542 505107048 /nfs/dbraw/zinc/10/70/48/505107048.db2.gz KSVZWKMUACHYRX-YZVAWVHESA-N 2 1 371.525 3.014 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000560525940 505114507 /nfs/dbraw/zinc/11/45/07/505114507.db2.gz BGNXSYNLMYNZNP-WNRNVDISSA-N 2 1 363.933 3.390 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCSC1 ZINC000560528777 505116201 /nfs/dbraw/zinc/11/62/01/505116201.db2.gz KRZVHVRTFMGRMF-BURNTYAHSA-N 2 1 360.567 3.135 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H]2CCC[C@H]21 ZINC000560544438 505120980 /nfs/dbraw/zinc/12/09/80/505120980.db2.gz QRHPUPZTDHOHCM-XGXHKWSGSA-N 2 1 370.459 3.319 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@@H]2CCC[C@H]21 ZINC000560548167 505122980 /nfs/dbraw/zinc/12/29/80/505122980.db2.gz AIJFTHNHXIANSX-OKZBNKHCSA-N 2 1 358.461 3.271 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000557419540 505130019 /nfs/dbraw/zinc/13/00/19/505130019.db2.gz MMMHXKGDLLUOIA-PZJWPPBQSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000557419540 505130024 /nfs/dbraw/zinc/13/00/24/505130024.db2.gz MMMHXKGDLLUOIA-PZJWPPBQSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000557419540 505130030 /nfs/dbraw/zinc/13/00/30/505130030.db2.gz MMMHXKGDLLUOIA-PZJWPPBQSA-N 2 1 357.542 3.137 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000560575907 505130972 /nfs/dbraw/zinc/13/09/72/505130972.db2.gz UAKGMNAEUOYOLS-AIYVTKCESA-N 2 1 369.553 3.180 20 0 FGADMP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000557476066 505145176 /nfs/dbraw/zinc/14/51/76/505145176.db2.gz DRIHTYNRQFJBRP-UHFFFAOYSA-N 2 1 371.529 3.049 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(C(C)(C)C)s1 ZINC000557525404 505156364 /nfs/dbraw/zinc/15/63/64/505156364.db2.gz LTPKLQHOHCWXDL-INIZCTEOSA-N 2 1 352.592 3.289 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111676 505158957 /nfs/dbraw/zinc/15/89/57/505158957.db2.gz NVZBNVNLMWHLGC-NHCUHLMSSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111676 505158959 /nfs/dbraw/zinc/15/89/59/505158959.db2.gz NVZBNVNLMWHLGC-NHCUHLMSSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000551111676 505158960 /nfs/dbraw/zinc/15/89/60/505158960.db2.gz NVZBNVNLMWHLGC-NHCUHLMSSA-N 2 1 372.557 3.194 20 0 FGADMP Cc1ccc2nc(C[NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)cn2c1 ZINC000551186675 505174281 /nfs/dbraw/zinc/17/42/81/505174281.db2.gz OMGLDWJYAUITQM-UHFFFAOYSA-N 2 1 364.493 3.407 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(Cl)cc1 ZINC000563701274 505215708 /nfs/dbraw/zinc/21/57/08/505215708.db2.gz QVSPHEITDBYFQW-DMUMMCEESA-N 2 1 355.869 3.346 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597630 505217052 /nfs/dbraw/zinc/21/70/52/505217052.db2.gz OCPVNYADEVEGSK-GBESFXJTSA-N 2 1 357.542 3.123 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597630 505217055 /nfs/dbraw/zinc/21/70/55/505217055.db2.gz OCPVNYADEVEGSK-GBESFXJTSA-N 2 1 357.542 3.123 20 0 FGADMP C[C@H]1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000554597630 505217056 /nfs/dbraw/zinc/21/70/56/505217056.db2.gz OCPVNYADEVEGSK-GBESFXJTSA-N 2 1 357.542 3.123 20 0 FGADMP CC[N@H+]1CCC[C@H](CNCc2ccc(C(=O)OC)cc2Br)C1 ZINC000551547677 505250228 /nfs/dbraw/zinc/25/02/28/505250228.db2.gz SYPBZNJTLCWDGW-CYBMUJFWSA-N 2 1 369.303 3.057 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000554741827 505253545 /nfs/dbraw/zinc/25/35/45/505253545.db2.gz PHFPGCWDYBMLSX-KJWUJUMESA-N 2 1 369.553 3.134 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000557886486 505255573 /nfs/dbraw/zinc/25/55/73/505255573.db2.gz FPNNDOMIYRESTB-IYBDPMFKSA-N 2 1 350.576 3.458 20 0 FGADMP C[C@H]([NH2+]CCC(=O)NC1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554856265 505282999 /nfs/dbraw/zinc/28/29/99/505282999.db2.gz NOQJUQQNNYJOPJ-ICSRJNTNSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(N2CCC2=O)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554864810 505284471 /nfs/dbraw/zinc/28/44/71/505284471.db2.gz GLBGILBWCVFRRQ-RXVVDRJESA-N 2 1 363.505 3.424 20 0 FGADMP Cc1ccsc1C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000554868235 505285342 /nfs/dbraw/zinc/28/53/42/505285342.db2.gz GFTMQXOUNRDGKD-HXUWFJFHSA-N 2 1 355.551 3.449 20 0 FGADMP Cc1ccsc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000554868235 505285347 /nfs/dbraw/zinc/28/53/47/505285347.db2.gz GFTMQXOUNRDGKD-HXUWFJFHSA-N 2 1 355.551 3.449 20 0 FGADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000558146764 505319938 /nfs/dbraw/zinc/31/99/38/505319938.db2.gz NMAHZZYLXGDHMY-YJMBLLCNSA-N 2 1 369.553 3.106 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533891 505371561 /nfs/dbraw/zinc/37/15/61/505371561.db2.gz GXUBXQGUXMVTRB-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533891 505371566 /nfs/dbraw/zinc/37/15/66/505371566.db2.gz GXUBXQGUXMVTRB-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533891 505371569 /nfs/dbraw/zinc/37/15/69/505371569.db2.gz GXUBXQGUXMVTRB-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1sccc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552042390 505379236 /nfs/dbraw/zinc/37/92/36/505379236.db2.gz CHFAJNJFSBWFNQ-IYBDPMFKSA-N 2 1 352.544 3.147 20 0 FGADMP Cc1sccc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000552042390 505379239 /nfs/dbraw/zinc/37/92/39/505379239.db2.gz CHFAJNJFSBWFNQ-IYBDPMFKSA-N 2 1 352.544 3.147 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000567232246 505403110 /nfs/dbraw/zinc/40/31/10/505403110.db2.gz KDINXXCNNGBNMD-HBXLWWENSA-N 2 1 359.514 3.142 20 0 FGADMP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000564459322 505425533 /nfs/dbraw/zinc/42/55/33/505425533.db2.gz UWCXKRRBWCJTGI-QGZVFWFLSA-N 2 1 352.478 3.144 20 0 FGADMP Cc1ccc(NC(=O)CCCC[NH+](C)C)cc1NC(=O)C[NH+]1CCCCC1 ZINC000552232547 505435015 /nfs/dbraw/zinc/43/50/15/505435015.db2.gz RZPFKLFTMHFUJW-UHFFFAOYSA-N 2 1 374.529 3.090 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000567410584 505454252 /nfs/dbraw/zinc/45/42/52/505454252.db2.gz XDJVCJDKXICNTF-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000567410584 505454257 /nfs/dbraw/zinc/45/42/57/505454257.db2.gz XDJVCJDKXICNTF-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000567410584 505454264 /nfs/dbraw/zinc/45/42/64/505454264.db2.gz XDJVCJDKXICNTF-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1Br ZINC000555598641 505469066 /nfs/dbraw/zinc/46/90/66/505469066.db2.gz ZRZIKIVUQMVIEM-QGZVFWFLSA-N 2 1 353.304 3.375 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000564644685 505480940 /nfs/dbraw/zinc/48/09/40/505480940.db2.gz VEOQTYCTHHNPLL-QHAWAJNXSA-N 2 1 372.557 3.105 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000564718427 505502276 /nfs/dbraw/zinc/50/22/76/505502276.db2.gz DGNOLVCAGWILGB-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccc(C(F)(F)F)cc1 ZINC000564864284 505543127 /nfs/dbraw/zinc/54/31/27/505543127.db2.gz PQEIHBLJZHOBDF-DAWZGUTISA-N 2 1 356.432 3.215 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000567772993 505561777 /nfs/dbraw/zinc/56/17/77/505561777.db2.gz RGBWUYZUKGVVQT-DUXKGJEZSA-N 2 1 351.494 3.418 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000564987705 505565523 /nfs/dbraw/zinc/56/55/23/505565523.db2.gz GJQTZXXEFFQYFV-LPMPVVGESA-N 2 1 365.521 3.465 20 0 FGADMP [NH3+][C@@H]1CCC[C@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000567846697 505567748 /nfs/dbraw/zinc/56/77/48/505567748.db2.gz MYRHEVVGTHGTBP-FCHUYYIVSA-N 2 1 365.521 3.323 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599312385 506407906 /nfs/dbraw/zinc/40/79/06/506407906.db2.gz JIHFDNXNGTXPOX-DBXWQHBBSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](CCc1ccccc1F)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000608117153 506425639 /nfs/dbraw/zinc/42/56/39/506425639.db2.gz DFOOQEPTXRTQHE-MRXNPFEDSA-N 2 1 370.472 3.180 20 0 FGADMP C[NH+](C)CCCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000593263580 506501305 /nfs/dbraw/zinc/50/13/05/506501305.db2.gz AXVHOUSJLIVGGS-FQEVSTJZSA-N 2 1 355.482 3.259 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000582958700 506510519 /nfs/dbraw/zinc/51/05/19/506510519.db2.gz SFFMGTZKZASVOS-NUEKZKHPSA-N 2 1 355.404 3.060 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000612469944 506590299 /nfs/dbraw/zinc/59/02/99/506590299.db2.gz JDCTXTKDFCUUQL-FUHWJXTLSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469944 506590304 /nfs/dbraw/zinc/59/03/04/506590304.db2.gz JDCTXTKDFCUUQL-FUHWJXTLSA-N 2 1 358.530 3.018 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000612469944 506590310 /nfs/dbraw/zinc/59/03/10/506590310.db2.gz JDCTXTKDFCUUQL-FUHWJXTLSA-N 2 1 358.530 3.018 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501162 506590647 /nfs/dbraw/zinc/59/06/47/506590647.db2.gz GUAGWWFADUYXFZ-PKTZIBPZSA-N 2 1 368.521 3.018 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501162 506590652 /nfs/dbraw/zinc/59/06/52/506590652.db2.gz GUAGWWFADUYXFZ-PKTZIBPZSA-N 2 1 368.521 3.018 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501162 506590659 /nfs/dbraw/zinc/59/06/59/506590659.db2.gz GUAGWWFADUYXFZ-PKTZIBPZSA-N 2 1 368.521 3.018 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501162 506590665 /nfs/dbraw/zinc/59/06/65/506590665.db2.gz GUAGWWFADUYXFZ-PKTZIBPZSA-N 2 1 368.521 3.018 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000589639580 506614844 /nfs/dbraw/zinc/61/48/44/506614844.db2.gz OGWDVXWEQYNOCD-QFIPXVFZSA-N 2 1 363.509 3.031 20 0 FGADMP CCN(CC)[C@@H](C(=O)N1CCN(CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000603814341 506622350 /nfs/dbraw/zinc/62/23/50/506622350.db2.gz GKRQTMDLMMMFIH-QGZVFWFLSA-N 2 1 371.447 3.252 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000608634593 506641159 /nfs/dbraw/zinc/64/11/59/506641159.db2.gz QENDFSIMLWAROU-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000608634593 506641161 /nfs/dbraw/zinc/64/11/61/506641161.db2.gz QENDFSIMLWAROU-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589770609 506646257 /nfs/dbraw/zinc/64/62/57/506646257.db2.gz BJSMNKOOPULENL-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000603933888 506664001 /nfs/dbraw/zinc/66/40/01/506664001.db2.gz YQRCMNQNCNFCLO-FQEVSTJZSA-N 2 1 373.541 3.211 20 0 FGADMP COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000603933888 506664003 /nfs/dbraw/zinc/66/40/03/506664003.db2.gz YQRCMNQNCNFCLO-FQEVSTJZSA-N 2 1 373.541 3.211 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000590078971 506727997 /nfs/dbraw/zinc/72/79/97/506727997.db2.gz MJJHOAANWVNUTN-PZJWPPBQSA-N 2 1 372.557 3.387 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000604171467 506734362 /nfs/dbraw/zinc/73/43/62/506734362.db2.gz NUINIBVQJFKXDR-VQTJNVASSA-N 2 1 374.573 3.331 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1)C(C)C ZINC000597216974 506842100 /nfs/dbraw/zinc/84/21/00/506842100.db2.gz XRZVFEUKGSBDSZ-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C(C)C ZINC000597216974 506842108 /nfs/dbraw/zinc/84/21/08/506842108.db2.gz XRZVFEUKGSBDSZ-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+](CCNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C(C)C ZINC000597216974 506842116 /nfs/dbraw/zinc/84/21/16/506842116.db2.gz XRZVFEUKGSBDSZ-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc2c(c1)CCCC2 ZINC000583565150 506852812 /nfs/dbraw/zinc/85/28/12/506852812.db2.gz SJEAYWKSAJPRDV-XQTRSNPVSA-N 2 1 369.553 3.063 20 0 FGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000604773511 506938333 /nfs/dbraw/zinc/93/83/33/506938333.db2.gz RPEBXFAMNGIAST-RHSMWYFYSA-N 2 1 353.938 3.301 20 0 FGADMP Cn1cncc1CCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000583760711 506958884 /nfs/dbraw/zinc/95/88/84/506958884.db2.gz LEUFVANLAVIDRR-UHFFFAOYSA-N 2 1 357.498 3.303 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000583760711 506958889 /nfs/dbraw/zinc/95/88/89/506958889.db2.gz LEUFVANLAVIDRR-UHFFFAOYSA-N 2 1 357.498 3.303 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](CCCOc1ccccc1)C1CCOCC1 ZINC000583760711 506958895 /nfs/dbraw/zinc/95/88/95/506958895.db2.gz LEUFVANLAVIDRR-UHFFFAOYSA-N 2 1 357.498 3.303 20 0 FGADMP Cc1noc([C@H]2CCC[NH+]2CCCCC[N@H+]2CCC[C@@H]2c2nc(C)no2)n1 ZINC000583828226 506997012 /nfs/dbraw/zinc/99/70/12/506997012.db2.gz QTJBEGZVROWINZ-IAGOWNOFSA-N 2 1 374.489 3.214 20 0 FGADMP Cc1noc([C@H]2CCC[NH+]2CCCCC[N@@H+]2CCC[C@@H]2c2nc(C)no2)n1 ZINC000583828226 506997023 /nfs/dbraw/zinc/99/70/23/506997023.db2.gz QTJBEGZVROWINZ-IAGOWNOFSA-N 2 1 374.489 3.214 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C2CC2)C2CCCC2)CC1 ZINC000590925996 507030776 /nfs/dbraw/zinc/03/07/76/507030776.db2.gz JRWKRIBTENUGBN-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C2CC2)C2CCCC2)CC1 ZINC000590925996 507030784 /nfs/dbraw/zinc/03/07/84/507030784.db2.gz JRWKRIBTENUGBN-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000590925996 507030788 /nfs/dbraw/zinc/03/07/88/507030788.db2.gz JRWKRIBTENUGBN-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584002337 507098391 /nfs/dbraw/zinc/09/83/91/507098391.db2.gz VIZLGLQRLYUPPL-KBXCAEBGSA-N 2 1 351.922 3.131 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104387 507116636 /nfs/dbraw/zinc/11/66/36/507116636.db2.gz DGKZBFQLMSWMCV-IEBWSBKVSA-N 2 1 373.472 3.050 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104387 507116644 /nfs/dbraw/zinc/11/66/44/507116644.db2.gz DGKZBFQLMSWMCV-IEBWSBKVSA-N 2 1 373.472 3.050 20 0 FGADMP CCCn1c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)nc2ccccc21 ZINC000584279381 507254433 /nfs/dbraw/zinc/25/44/33/507254433.db2.gz AIYQFKQYGRGEAL-UTKZUKDTSA-N 2 1 356.514 3.165 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCCC1 ZINC000591543922 507284120 /nfs/dbraw/zinc/28/41/20/507284120.db2.gz RICHQMCFATZDFF-KRWDZBQOSA-N 2 1 364.559 3.059 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCCC1 ZINC000606208945 507349628 /nfs/dbraw/zinc/34/96/28/507349628.db2.gz SQMWYWRRZGOIMN-CEXWTWQISA-N 2 1 373.541 3.499 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[NH+]1CCCCCC1 ZINC000606208945 507349637 /nfs/dbraw/zinc/34/96/37/507349637.db2.gz SQMWYWRRZGOIMN-CEXWTWQISA-N 2 1 373.541 3.499 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000595059570 507371276 /nfs/dbraw/zinc/37/12/76/507371276.db2.gz IXEWIAVAXZCOMG-JONKECSESA-N 2 1 360.567 3.461 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000595059570 507371283 /nfs/dbraw/zinc/37/12/83/507371283.db2.gz IXEWIAVAXZCOMG-JONKECSESA-N 2 1 360.567 3.461 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000595145012 507408128 /nfs/dbraw/zinc/40/81/28/507408128.db2.gz YSASJRHVWNHLMF-ROUUACIJSA-N 2 1 353.514 3.089 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)CC(C)C ZINC000606633854 507459353 /nfs/dbraw/zinc/45/93/53/507459353.db2.gz XUPUVJSHFFRIMY-HXUWFJFHSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606640110 507463001 /nfs/dbraw/zinc/46/30/01/507463001.db2.gz GVYWGDUFYTVRHB-WOJBJXKFSA-N 2 1 364.578 3.301 20 0 FGADMP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000611257715 507585786 /nfs/dbraw/zinc/58/57/86/507585786.db2.gz BPSGNNXHMCFJHU-FAFZWHIHSA-N 2 1 366.546 3.120 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCC1 ZINC000592481436 507674417 /nfs/dbraw/zinc/67/44/17/507674417.db2.gz JQFRMGHZJMLXTM-AZUAARDMSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)[nH+]c1 ZINC000480512974 514984281 /nfs/dbraw/zinc/98/42/81/514984281.db2.gz CGNCXLCAWDQOAP-PXNSSMCTSA-N 2 1 369.513 3.183 20 0 FGADMP c1nnn(Cc2ccccc2)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000644832396 567833636 /nfs/dbraw/zinc/83/36/36/567833636.db2.gz KYYSTHBRERIOHJ-UHFFFAOYSA-N 2 1 367.541 3.414 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669117750 568033346 /nfs/dbraw/zinc/03/33/46/568033346.db2.gz FHPGJABTWLDWIY-FXAWDEMLSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000669117923 568038586 /nfs/dbraw/zinc/03/85/86/568038586.db2.gz ZMYAHALKKUMALI-KRWDZBQOSA-N 2 1 358.530 3.084 20 0 FGADMP c1ccc([C@H]2C[N@@H+](Cc3ccc(CN4CCOCC4)cc3)CCCO2)cc1 ZINC000643250185 568316066 /nfs/dbraw/zinc/31/60/66/568316066.db2.gz DSHIFCCWBSXWIQ-HSZRJFAPSA-N 2 1 366.505 3.482 20 0 FGADMP c1ccc([C@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CCCO2)cc1 ZINC000643250185 568316067 /nfs/dbraw/zinc/31/60/67/568316067.db2.gz DSHIFCCWBSXWIQ-HSZRJFAPSA-N 2 1 366.505 3.482 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585280 609325973 /nfs/dbraw/zinc/32/59/73/609325973.db2.gz PCFFCELHBNCCSO-CABCVRRESA-N 2 1 360.481 3.311 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945295 609326455 /nfs/dbraw/zinc/32/64/55/609326455.db2.gz BBNMFNBETTVZDR-CABCVRRESA-N 2 1 360.481 3.169 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824529157 609349999 /nfs/dbraw/zinc/34/99/99/609349999.db2.gz FEEDIRKUAZUDSQ-RLFYNMQTSA-N 2 1 354.502 3.170 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000105784112 700505042 /nfs/dbraw/zinc/50/50/42/700505042.db2.gz LLYPHIOCFLNXQC-HZPDHXFCSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000120819185 700660391 /nfs/dbraw/zinc/66/03/91/700660391.db2.gz HRYSCZXKMDDBHS-GOSISDBHSA-N 2 1 353.551 3.201 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000130490396 700802686 /nfs/dbraw/zinc/80/26/86/700802686.db2.gz MOBAOWGZOOHEDD-UHFFFAOYSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000130490396 700802690 /nfs/dbraw/zinc/80/26/90/700802690.db2.gz MOBAOWGZOOHEDD-UHFFFAOYSA-N 2 1 350.507 3.161 20 0 FGADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151146558 704913342 /nfs/dbraw/zinc/91/33/42/704913342.db2.gz IQJKRRUHFBXQBL-RBUKOAKNSA-N 2 1 366.933 3.168 20 0 FGADMP CN(C)C(=O)Sc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151269167 704916761 /nfs/dbraw/zinc/91/67/61/704916761.db2.gz AJKDRYGANUYUDQ-UHFFFAOYSA-N 2 1 356.495 3.178 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000182694215 705856909 /nfs/dbraw/zinc/85/69/09/705856909.db2.gz DJKSSFGODVOSEV-ZWKOTPCHSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248388468 713648634 /nfs/dbraw/zinc/64/86/34/713648634.db2.gz RDIPJGUFBXWZQJ-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000248388468 713648637 /nfs/dbraw/zinc/64/86/37/713648637.db2.gz RDIPJGUFBXWZQJ-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000248393605 713648936 /nfs/dbraw/zinc/64/89/36/713648936.db2.gz XIASADRGYGGRTD-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000248393605 713648937 /nfs/dbraw/zinc/64/89/37/713648937.db2.gz XIASADRGYGGRTD-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000385979337 713984260 /nfs/dbraw/zinc/98/42/60/713984260.db2.gz NWBRRJIRQYMPMU-ABSDTBQOSA-N 2 1 351.535 3.240 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553372 713985320 /nfs/dbraw/zinc/98/53/20/713985320.db2.gz HJZIVWUXYJKCIJ-MLHJIOFPSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000474712410 714083670 /nfs/dbraw/zinc/08/36/70/714083670.db2.gz JZZBAVRFYKFHSP-JKSUJKDBSA-N 2 1 365.949 3.364 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cccc(Cl)c1 ZINC000523484244 714236378 /nfs/dbraw/zinc/23/63/78/714236378.db2.gz CZQBHVHIRASWCM-LJQANCHMSA-N 2 1 365.949 3.147 20 0 FGADMP C[N@@H+](Cc1ccc2nc(NC(=O)C3CC[NH+](C)CC3)sc2c1)C1CC1 ZINC000617866488 714698050 /nfs/dbraw/zinc/69/80/50/714698050.db2.gz ODZFYTQTLQWNEQ-UHFFFAOYSA-N 2 1 358.511 3.171 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1Cl ZINC000618547100 714756325 /nfs/dbraw/zinc/75/63/25/714756325.db2.gz BNYFWZLJYLZQAA-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397216 715327130 /nfs/dbraw/zinc/32/71/30/715327130.db2.gz YMIRBMSNOZWDMS-IAGOWNOFSA-N 2 1 363.571 3.264 20 0 FGADMP CCC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)N1CCc2sccc2C1 ZINC000623397216 715327136 /nfs/dbraw/zinc/32/71/36/715327136.db2.gz YMIRBMSNOZWDMS-IAGOWNOFSA-N 2 1 363.571 3.264 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557206 715361025 /nfs/dbraw/zinc/36/10/25/715361025.db2.gz OEQGWLGZKSKJCY-GDBMZVCRSA-N 2 1 360.420 3.471 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CCO)c2cccc(OC(F)(F)F)c2)CC1(C)C ZINC000623557206 715361031 /nfs/dbraw/zinc/36/10/31/715361031.db2.gz OEQGWLGZKSKJCY-GDBMZVCRSA-N 2 1 360.420 3.471 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cnc12 ZINC000623657148 715380719 /nfs/dbraw/zinc/38/07/19/715380719.db2.gz KMTFRQCTBJWKDH-CQSZACIVSA-N 2 1 365.319 3.227 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)cnc12 ZINC000623657148 715380727 /nfs/dbraw/zinc/38/07/27/715380727.db2.gz KMTFRQCTBJWKDH-CQSZACIVSA-N 2 1 365.319 3.227 20 0 FGADMP C[C@@H]1C[N@@H+](CCOCC[NH+]2C[C@H](C)C(F)(F)[C@@H](C)C2)C[C@H](C)C1(F)F ZINC000625654784 715767681 /nfs/dbraw/zinc/76/76/81/715767681.db2.gz QUKODWIPQUXHOZ-YHUYYLMFSA-N 2 1 368.459 3.449 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1C(F)(F)F ZINC000629564225 716308613 /nfs/dbraw/zinc/30/86/13/716308613.db2.gz RZWCWALIMANXFZ-VXGBXAGGSA-N 2 1 366.330 3.010 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1C(F)(F)F ZINC000629564225 716308621 /nfs/dbraw/zinc/30/86/21/716308621.db2.gz RZWCWALIMANXFZ-VXGBXAGGSA-N 2 1 366.330 3.010 20 0 FGADMP COCCCOc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656628 716331276 /nfs/dbraw/zinc/33/12/76/716331276.db2.gz PULVBVZQTRTTEZ-RDJZCZTQSA-N 2 1 360.420 3.061 20 0 FGADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629656628 716331280 /nfs/dbraw/zinc/33/12/80/716331280.db2.gz PULVBVZQTRTTEZ-RDJZCZTQSA-N 2 1 360.420 3.061 20 0 FGADMP Fc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C(F)(F)F ZINC000629672127 716333218 /nfs/dbraw/zinc/33/32/18/716333218.db2.gz FJHQUAOITCZKLZ-HNNXBMFYSA-N 2 1 360.395 3.435 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)s1 ZINC000631057190 716556351 /nfs/dbraw/zinc/55/63/51/716556351.db2.gz ZEQPXDNPZHTHRK-SFHVURJKSA-N 2 1 359.539 3.334 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631057190 716556354 /nfs/dbraw/zinc/55/63/54/716556354.db2.gz ZEQPXDNPZHTHRK-SFHVURJKSA-N 2 1 359.539 3.334 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638566580 717466522 /nfs/dbraw/zinc/46/65/22/717466522.db2.gz MKKQVKGDRKQVOE-AWEZNQCLSA-N 2 1 358.452 3.448 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)C1 ZINC000638566580 717466524 /nfs/dbraw/zinc/46/65/24/717466524.db2.gz MKKQVKGDRKQVOE-AWEZNQCLSA-N 2 1 358.452 3.448 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CCc3nc(-c4ccc(Cl)cc4)no3)C2)CC1 ZINC000639758975 717599261 /nfs/dbraw/zinc/59/92/61/717599261.db2.gz YZLDJLAWMXZGNW-UHFFFAOYSA-N 2 1 360.889 3.350 20 0 FGADMP Cc1cc(OC[C@H](O)C[NH2+]C2CC[NH+](C)CC2)c(C(C)C)cc1Cl ZINC000644513476 718115997 /nfs/dbraw/zinc/11/59/97/718115997.db2.gz NZOOMXQWUZUNAU-MRXNPFEDSA-N 2 1 354.922 3.195 20 0 FGADMP CCCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000645118271 718184187 /nfs/dbraw/zinc/18/41/87/718184187.db2.gz NZKIAFUPVYDDGG-IAGOWNOFSA-N 2 1 364.559 3.011 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646294980 718276104 /nfs/dbraw/zinc/27/61/04/718276104.db2.gz GLMYOLBPHDCWJT-CSBKYJRVSA-N 2 1 367.896 3.117 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646294980 718276105 /nfs/dbraw/zinc/27/61/05/718276105.db2.gz GLMYOLBPHDCWJT-CSBKYJRVSA-N 2 1 367.896 3.117 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000647178781 718338067 /nfs/dbraw/zinc/33/80/67/718338067.db2.gz JJYAAURGPFDJAC-UHFFFAOYSA-N 2 1 356.457 3.311 20 0 FGADMP O=C(c1ccc(Cl)cc1)N1CCC[N@@H+](CCCC2CC[NH2+]CC2)CC1 ZINC000647881590 718383071 /nfs/dbraw/zinc/38/30/71/718383071.db2.gz OZSAZKPEHPJWBQ-UHFFFAOYSA-N 2 1 363.933 3.268 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647976584 718391454 /nfs/dbraw/zinc/39/14/54/718391454.db2.gz QKBZMBZDXCCNJF-ULQDDVLXSA-N 2 1 361.555 3.447 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000647986547 718392566 /nfs/dbraw/zinc/39/25/66/718392566.db2.gz GBBIYXBXJNEHJY-OLZOCXBDSA-N 2 1 364.852 3.351 20 0 FGADMP Fc1cccc(Cl)c1-c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)no1 ZINC000647986547 718392569 /nfs/dbraw/zinc/39/25/69/718392569.db2.gz GBBIYXBXJNEHJY-OLZOCXBDSA-N 2 1 364.852 3.351 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162343 718402515 /nfs/dbraw/zinc/40/25/15/718402515.db2.gz ZXEQWCBNNVNJRS-RDJZCZTQSA-N 2 1 355.885 3.248 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000648162343 718402517 /nfs/dbraw/zinc/40/25/17/718402517.db2.gz ZXEQWCBNNVNJRS-RDJZCZTQSA-N 2 1 355.885 3.248 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335723 718504901 /nfs/dbraw/zinc/50/49/01/718504901.db2.gz VAZYVDJLYMZYPS-OALUTQOASA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335723 718504905 /nfs/dbraw/zinc/50/49/05/718504905.db2.gz VAZYVDJLYMZYPS-OALUTQOASA-N 2 1 357.885 3.121 20 0 FGADMP Fc1ccccc1-c1ccc(C[NH+]2CCN(C[C@H]3CC[NH2+]C3)CC2)s1 ZINC000649411615 718512460 /nfs/dbraw/zinc/51/24/60/718512460.db2.gz LPGFCUKJDBVDJP-INIZCTEOSA-N 2 1 359.514 3.281 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706345 718717062 /nfs/dbraw/zinc/71/70/62/718717062.db2.gz IZFNDOKZXDROJL-YSVLISHTSA-N 2 1 368.905 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708242 718718243 /nfs/dbraw/zinc/71/82/43/718718243.db2.gz WETNRHRJHPKOIR-MJEQTWJJSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(Br)c2)C1 ZINC000650722652 718720490 /nfs/dbraw/zinc/72/04/90/718720490.db2.gz YRIUKKHANQJHOE-RDBSUJKOSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(Br)c2)C1 ZINC000650722652 718720494 /nfs/dbraw/zinc/72/04/94/718720494.db2.gz YRIUKKHANQJHOE-RDBSUJKOSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2Br)C1 ZINC000650722943 718720520 /nfs/dbraw/zinc/72/05/20/718720520.db2.gz DZOXIBYHZFNIKC-KBRIMQKVSA-N 2 1 369.303 3.016 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722881 718720535 /nfs/dbraw/zinc/72/05/35/718720535.db2.gz CUGXTVYAIBLHKK-KBRIMQKVSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722881 718720538 /nfs/dbraw/zinc/72/05/38/718720538.db2.gz CUGXTVYAIBLHKK-KBRIMQKVSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2sccc2Br)C1 ZINC000650723786 718721269 /nfs/dbraw/zinc/72/12/69/718721269.db2.gz UCRIPDFREITPNK-BNOWGMLFSA-N 2 1 359.333 3.371 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219724 718783604 /nfs/dbraw/zinc/78/36/04/718783604.db2.gz FWIVCQFAIYQMDD-PKOBYXMFSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219724 718783608 /nfs/dbraw/zinc/78/36/08/718783608.db2.gz FWIVCQFAIYQMDD-PKOBYXMFSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000651219724 718783613 /nfs/dbraw/zinc/78/36/13/718783613.db2.gz FWIVCQFAIYQMDD-PKOBYXMFSA-N 2 1 352.567 3.155 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676788 718849633 /nfs/dbraw/zinc/84/96/33/718849633.db2.gz NKWJMIIMTGSGKL-QGZVFWFLSA-N 2 1 353.913 3.474 20 0 FGADMP Clc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)C2)cc1 ZINC000655700345 719327220 /nfs/dbraw/zinc/32/72/20/719327220.db2.gz KQFGBZRUUYZLGD-OXJNMPFZSA-N 2 1 363.933 3.009 20 0 FGADMP Brc1ccccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655703915 719327840 /nfs/dbraw/zinc/32/78/40/719327840.db2.gz NCZYYRBBKZQRPY-KRWDZBQOSA-N 2 1 367.331 3.225 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccc(Cl)cc1 ZINC000655718388 719329194 /nfs/dbraw/zinc/32/91/94/719329194.db2.gz MXLJIQINKOJFSZ-HNAYVOBHSA-N 2 1 352.906 3.340 20 0 FGADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c(Cl)c1 ZINC000655735549 719331542 /nfs/dbraw/zinc/33/15/42/719331542.db2.gz JFMCBDGGNTYRDW-MRXNPFEDSA-N 2 1 352.881 3.354 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000657750379 719704744 /nfs/dbraw/zinc/70/47/44/719704744.db2.gz IWHPNYDHCKEWMQ-KDOFPFPSSA-N 2 1 367.331 3.396 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000657838709 719719306 /nfs/dbraw/zinc/71/93/06/719719306.db2.gz FMZILYAUZVHKDW-UHFFFAOYSA-N 2 1 351.485 3.002 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)c(Cl)c1 ZINC000657847990 719720330 /nfs/dbraw/zinc/72/03/30/719720330.db2.gz ZEUPJJANADPCRA-AAEUAGOBSA-N 2 1 361.711 3.210 20 0 FGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2cc(N)c(C)c[nH+]2)CC3)cs1 ZINC001164691528 719812473 /nfs/dbraw/zinc/81/24/73/719812473.db2.gz GDQOXQIMHQFHRA-UHFFFAOYSA-N 2 1 357.527 3.372 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCN2C[C@H](C)O[C@@H](C)C2)CC1)CC(C)C ZINC000660170098 720000731 /nfs/dbraw/zinc/00/07/31/720000731.db2.gz DMCLTGJBPVSEOY-PMACEKPBSA-N 2 1 353.595 3.176 20 0 FGADMP COc1ccccc1C[N@H+](Cc1cccs1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249367 720404767 /nfs/dbraw/zinc/40/47/67/720404767.db2.gz UKGKEZCHYNPADJ-KRWDZBQOSA-N 2 1 358.507 3.280 20 0 FGADMP Cc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281603 720409591 /nfs/dbraw/zinc/40/95/91/720409591.db2.gz YOSNHMFEGNROKB-DOTOQJQBSA-N 2 1 365.315 3.415 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282542 720409604 /nfs/dbraw/zinc/40/96/04/720409604.db2.gz BRTMECBXWNXUPK-VYDXJSESSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2OC(F)F)C1 ZINC000662282542 720409606 /nfs/dbraw/zinc/40/96/06/720409606.db2.gz BRTMECBXWNXUPK-VYDXJSESSA-N 2 1 358.404 3.288 20 0 FGADMP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662285193 720409857 /nfs/dbraw/zinc/40/98/57/720409857.db2.gz ZHFFTNQTLXHJDB-KFKAGJAMSA-N 2 1 350.528 3.148 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290628 720410458 /nfs/dbraw/zinc/41/04/58/720410458.db2.gz GSOLGHKLZWHVND-RDJZCZTQSA-N 2 1 361.555 3.447 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1c1ccccc1Cl ZINC000662291348 720410655 /nfs/dbraw/zinc/41/06/55/720410655.db2.gz FDUMFPFXEWXXBC-LPHOPBHVSA-N 2 1 361.917 3.157 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1Cl ZINC000662336409 720416681 /nfs/dbraw/zinc/41/66/81/720416681.db2.gz BRSRGEGQJPGZJL-NUTKFTJISA-N 2 1 370.324 3.245 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459541 720430864 /nfs/dbraw/zinc/43/08/64/720430864.db2.gz IYUGTOIUWBDYBU-JKSUJKDBSA-N 2 1 361.555 3.120 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000662535555 720439080 /nfs/dbraw/zinc/43/90/80/720439080.db2.gz LRMUSBMMBVUUDB-ZDUSSCGKSA-N 2 1 370.335 3.460 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684732 720452466 /nfs/dbraw/zinc/45/24/66/720452466.db2.gz HPWKYTWQLKRWIZ-LRDDRELGSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684732 720452468 /nfs/dbraw/zinc/45/24/68/720452468.db2.gz HPWKYTWQLKRWIZ-LRDDRELGSA-N 2 1 358.313 3.054 20 0 FGADMP C[C@@](O)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368262 720506384 /nfs/dbraw/zinc/50/63/84/720506384.db2.gz CFJSLHOCCHPZSP-DLBZAZTESA-N 2 1 356.432 3.192 20 0 FGADMP CCC[N@@H+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000664627179 720667514 /nfs/dbraw/zinc/66/75/14/720667514.db2.gz USOBDLMDXVLSQW-DLBZAZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000664627179 720667516 /nfs/dbraw/zinc/66/75/16/720667516.db2.gz USOBDLMDXVLSQW-DLBZAZTESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](C)CC(C)(C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000664627179 720667519 /nfs/dbraw/zinc/66/75/19/720667519.db2.gz USOBDLMDXVLSQW-DLBZAZTESA-N 2 1 352.567 3.059 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554065 720784759 /nfs/dbraw/zinc/78/47/59/720784759.db2.gz FFMJEZXRDYNJCX-DLBZAZTESA-N 2 1 366.937 3.115 20 0 FGADMP CC(C)Oc1cc[nH+]c(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1 ZINC001164857248 720969330 /nfs/dbraw/zinc/96/93/30/720969330.db2.gz FGCVPRMGOHRCLG-INIZCTEOSA-N 2 1 357.502 3.487 20 0 FGADMP Cc1cc(Br)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675239125 721741369 /nfs/dbraw/zinc/74/13/69/721741369.db2.gz FMYUSTABJAXMPS-GOSISDBHSA-N 2 1 367.331 3.491 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2ccc(F)cc2)[C@H](C)C1 ZINC000678594679 721966215 /nfs/dbraw/zinc/96/62/15/721966215.db2.gz JHBPJBMWYUBQTK-UXPWSPDFSA-N 2 1 352.494 3.240 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000702610351 722410686 /nfs/dbraw/zinc/41/06/86/722410686.db2.gz HUUHYUDNAIENJM-ROUUACIJSA-N 2 1 351.535 3.240 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908310 722412433 /nfs/dbraw/zinc/41/24/33/722412433.db2.gz QJNMMPWADTVEHI-XDNAFOTISA-N 2 1 351.535 3.094 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]([C@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000709283456 722412760 /nfs/dbraw/zinc/41/27/60/722412760.db2.gz DKBHZRPBLMCYMO-HPBDAGMYSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@](O)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(F)(F)C(F)(F)F ZINC000724115764 722420840 /nfs/dbraw/zinc/42/08/40/722420840.db2.gz NJDRXQRYJWWFDT-LSDHHAIUSA-N 2 1 366.374 3.047 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)N[C@@H](C)c1cccs1 ZINC000726489995 722435568 /nfs/dbraw/zinc/43/55/68/722435568.db2.gz GTNFNKYGKMAGJJ-JKSUJKDBSA-N 2 1 368.616 3.032 20 0 FGADMP CCCCCC[N@H+](C)CC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000732269077 722483280 /nfs/dbraw/zinc/48/32/80/722483280.db2.gz PTZMAPXZBNFYAC-INIZCTEOSA-N 2 1 351.560 3.123 20 0 FGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@H](C)[NH+]1CCc2sccc2C1 ZINC000732269077 722483281 /nfs/dbraw/zinc/48/32/81/722483281.db2.gz PTZMAPXZBNFYAC-INIZCTEOSA-N 2 1 351.560 3.123 20 0 FGADMP CCCCCC[NH+](C)CC(=O)NC[C@H](C)[N@@H+]1CCc2sccc2C1 ZINC000732269077 722483282 /nfs/dbraw/zinc/48/32/82/722483282.db2.gz PTZMAPXZBNFYAC-INIZCTEOSA-N 2 1 351.560 3.123 20 0 FGADMP CCCCCC[NH+](C)CC(=O)NC[C@H](C)[N@H+]1CCc2sccc2C1 ZINC000732269077 722483283 /nfs/dbraw/zinc/48/32/83/722483283.db2.gz PTZMAPXZBNFYAC-INIZCTEOSA-N 2 1 351.560 3.123 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000741253397 722543897 /nfs/dbraw/zinc/54/38/97/722543897.db2.gz VUXJCFRXVURJCW-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000741253397 722543898 /nfs/dbraw/zinc/54/38/98/722543898.db2.gz VUXJCFRXVURJCW-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000741253397 722543899 /nfs/dbraw/zinc/54/38/99/722543899.db2.gz VUXJCFRXVURJCW-DZGCQCFKSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1C ZINC000751010586 722790651 /nfs/dbraw/zinc/79/06/51/722790651.db2.gz ITILVLVGKVTKLX-GOSISDBHSA-N 2 1 362.587 3.348 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000760657671 723076692 /nfs/dbraw/zinc/07/66/92/723076692.db2.gz PULBGGSKLGADCZ-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000760657671 723076693 /nfs/dbraw/zinc/07/66/93/723076693.db2.gz PULBGGSKLGADCZ-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760677386 723080709 /nfs/dbraw/zinc/08/07/09/723080709.db2.gz JBNWWWCRSSNADT-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000792970964 723388275 /nfs/dbraw/zinc/38/82/75/723388275.db2.gz WOKKWYFLNMWBSR-QZTJIDSGSA-N 2 1 356.432 3.481 20 0 FGADMP FC(F)(F)c1cccc(CCCC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000792970964 723388279 /nfs/dbraw/zinc/38/82/79/723388279.db2.gz WOKKWYFLNMWBSR-QZTJIDSGSA-N 2 1 356.432 3.481 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)[C@H](C)C1 ZINC000793330602 723425930 /nfs/dbraw/zinc/42/59/30/723425930.db2.gz JWKGZRVEADMBNL-SJLPKXTDSA-N 2 1 351.535 3.264 20 0 FGADMP ClC1(Cl)C[C@H]1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381659 723635546 /nfs/dbraw/zinc/63/55/46/723635546.db2.gz FPTTUGPJCDLMNU-ROUUACIJSA-N 2 1 368.352 3.072 20 0 FGADMP ClC1(Cl)C[C@H]1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381659 723635547 /nfs/dbraw/zinc/63/55/47/723635547.db2.gz FPTTUGPJCDLMNU-ROUUACIJSA-N 2 1 368.352 3.072 20 0 FGADMP CC(C)(C)SCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796384580 723635665 /nfs/dbraw/zinc/63/56/65/723635665.db2.gz PNNLVJAPLAJNMA-FQEVSTJZSA-N 2 1 361.599 3.410 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000796694379 723650490 /nfs/dbraw/zinc/65/04/90/723650490.db2.gz IPZKRMFKPRUMLO-IBGZPJMESA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514745 723688463 /nfs/dbraw/zinc/68/84/63/723688463.db2.gz LEIWZSLKFXZJAG-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514745 723688465 /nfs/dbraw/zinc/68/84/65/723688465.db2.gz LEIWZSLKFXZJAG-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514745 723688467 /nfs/dbraw/zinc/68/84/67/723688467.db2.gz LEIWZSLKFXZJAG-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514745 723688468 /nfs/dbraw/zinc/68/84/68/723688468.db2.gz LEIWZSLKFXZJAG-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000772644899 723764700 /nfs/dbraw/zinc/76/47/00/723764700.db2.gz OTVGJLFFVIMPDT-AWEZNQCLSA-N 2 1 366.937 3.197 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000772875723 723770340 /nfs/dbraw/zinc/77/03/40/723770340.db2.gz WIAXFOZQEWAITC-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP O[C@@H](C[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21)C[NH+]1CCCC1 ZINC000775377906 723986529 /nfs/dbraw/zinc/98/65/29/723986529.db2.gz FMBJPCLQAWMJSW-YOEHRIQHSA-N 2 1 356.482 3.425 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000799178339 723995508 /nfs/dbraw/zinc/99/55/08/723995508.db2.gz UHEQMLUDHFQOAW-MRXNPFEDSA-N 2 1 363.933 3.325 20 0 FGADMP Brc1ccc2c(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000785800910 724938033 /nfs/dbraw/zinc/93/80/33/724938033.db2.gz OEGSLFHVDAGUKF-KBPBESRZSA-N 2 1 362.271 3.272 20 0 FGADMP Brc1ccc2c(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)cc[nH+]c2c1 ZINC000785800910 724938034 /nfs/dbraw/zinc/93/80/34/724938034.db2.gz OEGSLFHVDAGUKF-KBPBESRZSA-N 2 1 362.271 3.272 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1ncc(C[NH+](C)C)s1 ZINC000809581739 725249416 /nfs/dbraw/zinc/24/94/16/725249416.db2.gz OCWMGYSJNIRAHJ-KRWDZBQOSA-N 2 1 358.555 3.301 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1Cc1ncc(C[NH+](C)C)s1 ZINC000809581739 725249417 /nfs/dbraw/zinc/24/94/17/725249417.db2.gz OCWMGYSJNIRAHJ-KRWDZBQOSA-N 2 1 358.555 3.301 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596209 725250868 /nfs/dbraw/zinc/25/08/68/725250868.db2.gz WSXIBBCLJFWUSF-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596209 725250870 /nfs/dbraw/zinc/25/08/70/725250870.db2.gz WSXIBBCLJFWUSF-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@H]21 ZINC000809596209 725250871 /nfs/dbraw/zinc/25/08/71/725250871.db2.gz WSXIBBCLJFWUSF-DLBZAZTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)Cc1ccc(F)c(F)c1 ZINC000809738030 725263893 /nfs/dbraw/zinc/26/38/93/725263893.db2.gz PVANHDYIZQAUFR-UHFFFAOYSA-N 2 1 368.497 3.047 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1Br ZINC000810130736 725291320 /nfs/dbraw/zinc/29/13/20/725291320.db2.gz RWXHRCRKNWFTIO-OAHLLOKOSA-N 2 1 355.320 3.039 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548333 727174104 /nfs/dbraw/zinc/17/41/04/727174104.db2.gz DJBFVZSCZSDGLN-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548333 727174109 /nfs/dbraw/zinc/17/41/09/727174109.db2.gz DJBFVZSCZSDGLN-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817292645 727236964 /nfs/dbraw/zinc/23/69/64/727236964.db2.gz MKDTYSXHRZJJHT-ZOBUZTSGSA-N 2 1 350.507 3.063 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)[C@@H](C)C[C@@H]1C ZINC000817292645 727236967 /nfs/dbraw/zinc/23/69/67/727236967.db2.gz MKDTYSXHRZJJHT-ZOBUZTSGSA-N 2 1 350.507 3.063 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929588 727288056 /nfs/dbraw/zinc/28/80/56/727288056.db2.gz QOSTVNUSEBYNAK-DOPJRALCSA-N 2 1 363.299 3.031 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000818966282 727331730 /nfs/dbraw/zinc/33/17/30/727331730.db2.gz PSNLMYYMTQJECD-ZBEGNZNMSA-N 2 1 370.266 3.052 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984625 727334311 /nfs/dbraw/zinc/33/43/11/727334311.db2.gz JLZKGGSAJAKHNX-DYVFJYSZSA-N 2 1 373.310 3.332 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000818984349 727334365 /nfs/dbraw/zinc/33/43/65/727334365.db2.gz FIAJAFZFPSWONH-YOEHRIQHSA-N 2 1 355.320 3.193 20 0 FGADMP COCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819006993 727337214 /nfs/dbraw/zinc/33/72/14/727337214.db2.gz PKSXVJALVIBGQV-QGZVFWFLSA-N 2 1 361.313 3.117 20 0 FGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2ccccc2Br)[nH+]c1 ZINC000819129496 727350565 /nfs/dbraw/zinc/35/05/65/727350565.db2.gz KGQHQORANKMYJW-INIZCTEOSA-N 2 1 364.287 3.278 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000823671762 729297750 /nfs/dbraw/zinc/29/77/50/729297750.db2.gz VJQHFTUNFUYYJT-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@]12C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824389759 729335470 /nfs/dbraw/zinc/33/54/70/729335470.db2.gz SIFUMXWWOYJKMS-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1Cl ZINC000829443865 729480826 /nfs/dbraw/zinc/48/08/26/729480826.db2.gz IACZFLQAYQDOQD-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522431 729648828 /nfs/dbraw/zinc/64/88/28/729648828.db2.gz MGONBEUNVQKHGO-ZIFCJYIRSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831522431 729648830 /nfs/dbraw/zinc/64/88/30/729648830.db2.gz MGONBEUNVQKHGO-ZIFCJYIRSA-N 2 1 367.896 3.247 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000840810939 730177832 /nfs/dbraw/zinc/17/78/32/730177832.db2.gz WQCOSOPLNOKHIT-SQNIBIBYSA-N 2 1 353.551 3.391 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022113 730204044 /nfs/dbraw/zinc/20/40/44/730204044.db2.gz KLPNTNJKPZJRCJ-CPUCHLNUSA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022113 730204047 /nfs/dbraw/zinc/20/40/47/730204047.db2.gz KLPNTNJKPZJRCJ-CPUCHLNUSA-N 2 1 353.304 3.211 20 0 FGADMP COc1cc(Br)c(C[N@@H+](C)C2CCC([NH3+])CC2)c(OC)c1 ZINC000843056101 730574642 /nfs/dbraw/zinc/57/46/42/730574642.db2.gz ZDAASLDCVQHRAS-UHFFFAOYSA-N 2 1 357.292 3.168 20 0 FGADMP Brc1ccsc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000883288241 737547350 /nfs/dbraw/zinc/54/73/50/737547350.db2.gz XDDGNQHMPIFVKJ-CQSZACIVSA-N 2 1 373.360 3.286 20 0 FGADMP CC(C)[C@@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000845921518 730909642 /nfs/dbraw/zinc/90/96/42/730909642.db2.gz OHMYKAXKGZPARC-DAWZGUTISA-N 2 1 353.551 3.390 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000846200734 730936167 /nfs/dbraw/zinc/93/61/67/730936167.db2.gz ULVQDQMOCCJHDE-ULQDDVLXSA-N 2 1 351.535 3.144 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107031 731544229 /nfs/dbraw/zinc/54/42/29/731544229.db2.gz HSCIPNVIFQTXFU-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107031 731544233 /nfs/dbraw/zinc/54/42/33/731544233.db2.gz HSCIPNVIFQTXFU-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCCCNC(=O)OC(C)(C)C)C2 ZINC000852107031 731544239 /nfs/dbraw/zinc/54/42/39/731544239.db2.gz HSCIPNVIFQTXFU-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2CC[C@@H]3SCCS[C@@H]23)cc1 ZINC000854225032 731805878 /nfs/dbraw/zinc/80/58/78/731805878.db2.gz VFRLDIHXZUHUQK-ADHGMGHFSA-N 2 1 352.544 3.240 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(SC(F)F)cc1 ZINC000855346235 731920541 /nfs/dbraw/zinc/92/05/41/731920541.db2.gz SNZMCBRPHSLFPW-ZDUSSCGKSA-N 2 1 359.486 3.003 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(SC(F)F)cc1 ZINC000855346235 731920543 /nfs/dbraw/zinc/92/05/43/731920543.db2.gz SNZMCBRPHSLFPW-ZDUSSCGKSA-N 2 1 359.486 3.003 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4cn[nH]c43)CC2)cs1 ZINC000857854890 732163515 /nfs/dbraw/zinc/16/35/15/732163515.db2.gz RTTIVWZSNXDJTR-KRWDZBQOSA-N 2 1 359.543 3.308 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490779 732220259 /nfs/dbraw/zinc/22/02/59/732220259.db2.gz OHNQKNNUDKJFGT-KZNAEPCWSA-N 2 1 353.551 3.344 20 0 FGADMP CC[N@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997738 732430117 /nfs/dbraw/zinc/43/01/17/732430117.db2.gz QGKVHFDAWCIFDA-UHFFFAOYSA-N 2 1 360.889 3.257 20 0 FGADMP CC[N@@H+](CC(=O)Nc1ccc(Cl)nc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859997738 732430120 /nfs/dbraw/zinc/43/01/20/732430120.db2.gz QGKVHFDAWCIFDA-UHFFFAOYSA-N 2 1 360.889 3.257 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)(F)F ZINC000865406297 733192697 /nfs/dbraw/zinc/19/26/97/733192697.db2.gz OUZSUKDJQJGHIV-ZDUSSCGKSA-N 2 1 365.440 3.049 20 0 FGADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000865818558 733274820 /nfs/dbraw/zinc/27/48/20/733274820.db2.gz CEBWLRMNXCWTDO-WBVHZDCISA-N 2 1 353.551 3.484 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872035296 735580189 /nfs/dbraw/zinc/58/01/89/735580189.db2.gz LODUDFDKYDGEHP-UWWQBHOKSA-N 2 1 367.331 3.458 20 0 FGADMP Cc1sc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1Br ZINC000873080885 735718121 /nfs/dbraw/zinc/71/81/21/735718121.db2.gz VICJXVLGTXMIFU-HZPDHXFCSA-N 2 1 373.360 3.286 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000876595909 736118854 /nfs/dbraw/zinc/11/88/54/736118854.db2.gz BOTNISSTNDAZLC-CQSZACIVSA-N 2 1 369.303 3.009 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Br ZINC000876595909 736118858 /nfs/dbraw/zinc/11/88/58/736118858.db2.gz BOTNISSTNDAZLC-CQSZACIVSA-N 2 1 369.303 3.009 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000876595909 736118859 /nfs/dbraw/zinc/11/88/59/736118859.db2.gz BOTNISSTNDAZLC-CQSZACIVSA-N 2 1 369.303 3.009 20 0 FGADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000876595909 736118863 /nfs/dbraw/zinc/11/88/63/736118863.db2.gz BOTNISSTNDAZLC-CQSZACIVSA-N 2 1 369.303 3.009 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC(C)([NH+]3CCC3)CC2)cc1Cl ZINC000880475499 737178818 /nfs/dbraw/zinc/17/88/18/737178818.db2.gz YHESQOKVXNODJS-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886636085 739277920 /nfs/dbraw/zinc/27/79/20/739277920.db2.gz FWOAIFTYBMEPGV-JONKECSESA-N 2 1 360.567 3.319 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000886774880 739296713 /nfs/dbraw/zinc/29/67/13/739296713.db2.gz XHMYVLDSNRUOSX-UFYCRDLUSA-N 2 1 352.563 3.452 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@@H](C(F)(F)F)C2)C1 ZINC000892668124 740029308 /nfs/dbraw/zinc/02/93/08/740029308.db2.gz HFTBRSACZNTBAL-WCVJEAGWSA-N 2 1 364.452 3.218 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cc3c(cccc3O)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000894076960 742235239 /nfs/dbraw/zinc/23/52/39/742235239.db2.gz REYFHSSWWLMLOM-CRAIPNDOSA-N 2 1 359.539 3.065 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000894457374 742285773 /nfs/dbraw/zinc/28/57/73/742285773.db2.gz AKATWQONTCDTOD-AWEZNQCLSA-N 2 1 368.319 3.227 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000894457374 742285776 /nfs/dbraw/zinc/28/57/76/742285776.db2.gz AKATWQONTCDTOD-AWEZNQCLSA-N 2 1 368.319 3.227 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000894457374 742285781 /nfs/dbraw/zinc/28/57/81/742285781.db2.gz AKATWQONTCDTOD-AWEZNQCLSA-N 2 1 368.319 3.227 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(CCCOC)CCC3)CC2)CC1 ZINC000894978912 742359380 /nfs/dbraw/zinc/35/93/80/742359380.db2.gz QFYFLVIHVKXYPC-UHFFFAOYSA-N 2 1 351.579 3.075 20 0 FGADMP Cc1csc(C[C@@H]2CCC[N@@H+](Cc3ccnn3-c3ccncc3)C2)n1 ZINC000895822012 742457553 /nfs/dbraw/zinc/45/75/53/742457553.db2.gz MEUMARKLFBYAOA-INIZCTEOSA-N 2 1 353.495 3.487 20 0 FGADMP Fc1ccc([C@H]2C[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c(F)c1 ZINC000897881739 742723669 /nfs/dbraw/zinc/72/36/69/742723669.db2.gz BXOSPXPXSROCGB-ZTFGCOKTSA-N 2 1 350.453 3.444 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H](c2ccccn2)C2CC2)c2cccs2)CC1 ZINC000903055288 743800208 /nfs/dbraw/zinc/80/02/08/743800208.db2.gz BBULYXJXDDOBCM-QUCCMNQESA-N 2 1 356.539 3.173 20 0 FGADMP FC(F)(F)c1ccc(OCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)nc1 ZINC000903123713 743809811 /nfs/dbraw/zinc/80/98/11/743809811.db2.gz FDZMRCNOTFJOMN-VHRNVKJDSA-N 2 1 355.404 3.227 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460832 743853161 /nfs/dbraw/zinc/85/31/61/743853161.db2.gz JOXUAFRSLZWDQU-FVVUREQNSA-N 2 1 350.453 3.396 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130989 743995119 /nfs/dbraw/zinc/99/51/19/743995119.db2.gz BJXVRTRHIACXNV-AOIWGVFYSA-N 2 1 366.571 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130989 743995121 /nfs/dbraw/zinc/99/51/21/743995121.db2.gz BJXVRTRHIACXNV-AOIWGVFYSA-N 2 1 366.571 3.167 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921774714 758792182 /nfs/dbraw/zinc/79/21/82/758792182.db2.gz LLUJXXCEKNPYQP-DLBZAZTESA-N 2 1 350.507 3.255 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382569 759108941 /nfs/dbraw/zinc/10/89/41/759108941.db2.gz CXKLHDQCDRYLIX-ZBFHGGJFSA-N 2 1 356.432 3.073 20 0 FGADMP C[C@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382345 759109121 /nfs/dbraw/zinc/10/91/21/759109121.db2.gz CGEUVJZCZXVJAI-WMLDXEAASA-N 2 1 356.432 3.073 20 0 FGADMP C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923501935 759133239 /nfs/dbraw/zinc/13/32/39/759133239.db2.gz XGUQEUOWDMVDER-OWCLPIDISA-N 2 1 364.559 3.114 20 0 FGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000924845644 759404027 /nfs/dbraw/zinc/40/40/27/759404027.db2.gz GFNLIEIZICJDEA-INIZCTEOSA-N 2 1 367.559 3.219 20 0 FGADMP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000925038551 759434974 /nfs/dbraw/zinc/43/49/74/759434974.db2.gz LMRJLEVHGHBMRA-QUCCMNQESA-N 2 1 351.535 3.423 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1Cl ZINC000925651208 759517352 /nfs/dbraw/zinc/51/73/52/759517352.db2.gz YLYGVQDJSJEQNV-WBVHZDCISA-N 2 1 370.946 3.001 20 0 FGADMP C[S@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000926346289 759721288 /nfs/dbraw/zinc/72/12/88/759721288.db2.gz BLGMATUECSXVCV-PQDUECRLSA-N 2 1 360.567 3.463 20 0 FGADMP C[S@](=O)C1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000926346289 759721292 /nfs/dbraw/zinc/72/12/92/759721292.db2.gz BLGMATUECSXVCV-PQDUECRLSA-N 2 1 360.567 3.463 20 0 FGADMP C[NH+](C)CC1(O)CC[NH+](Cc2csc(-c3ccc(Cl)cc3)n2)CC1 ZINC000931486215 760873735 /nfs/dbraw/zinc/87/37/35/760873735.db2.gz OBMYKMDJNXAXHR-UHFFFAOYSA-N 2 1 365.930 3.352 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC000961854250 762753542 /nfs/dbraw/zinc/75/35/42/762753542.db2.gz CAHFQSQGQHHDBD-SOTJZCEJSA-N 2 1 363.571 3.080 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(Cl)c3)CC2(C)C)CC[N@@H+]1C ZINC000974603046 763035654 /nfs/dbraw/zinc/03/56/54/763035654.db2.gz AZVGZOKZQOIPJM-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3cccc(Cl)c3)CC2(C)C)CC[N@H+]1C ZINC000974603046 763035658 /nfs/dbraw/zinc/03/56/58/763035658.db2.gz AZVGZOKZQOIPJM-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3cccc(Cl)c3)CC2(C)C)CC[NH+]1C ZINC000974603046 763035666 /nfs/dbraw/zinc/03/56/66/763035666.db2.gz AZVGZOKZQOIPJM-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC2(C)C)CC[NH+]1C ZINC000974603046 763035672 /nfs/dbraw/zinc/03/56/72/763035672.db2.gz AZVGZOKZQOIPJM-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001005406828 765468716 /nfs/dbraw/zinc/46/87/16/765468716.db2.gz GWQHLVPXRNPHRD-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001023996148 766047225 /nfs/dbraw/zinc/04/72/25/766047225.db2.gz VGLFJBMOQVRNTM-NZSAHSFTSA-N 2 1 363.571 3.115 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2sccc2Cl)CC[N@@H+]1C ZINC001024447425 766052984 /nfs/dbraw/zinc/05/29/84/766052984.db2.gz WKACBEJOQAVHEB-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2sccc2Cl)CC[N@H+]1C ZINC001024447425 766052992 /nfs/dbraw/zinc/05/29/92/766052992.db2.gz WKACBEJOQAVHEB-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001024447425 766053001 /nfs/dbraw/zinc/05/30/01/766053001.db2.gz WKACBEJOQAVHEB-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2sccc2Cl)CC[NH+]1C ZINC001024447425 766053019 /nfs/dbraw/zinc/05/30/19/766053019.db2.gz WKACBEJOQAVHEB-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001026855540 766083428 /nfs/dbraw/zinc/08/34/28/766083428.db2.gz ISZIRKGVKHMVQV-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001027417431 766093017 /nfs/dbraw/zinc/09/30/17/766093017.db2.gz YEFVEWLTLQSSOR-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001027417431 766093019 /nfs/dbraw/zinc/09/30/19/766093019.db2.gz YEFVEWLTLQSSOR-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001027417431 766093025 /nfs/dbraw/zinc/09/30/25/766093025.db2.gz YEFVEWLTLQSSOR-IIAWOOMASA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001028553950 766124841 /nfs/dbraw/zinc/12/48/41/766124841.db2.gz RXVHENWRJXNYBA-YTQUADARSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001028553950 766124846 /nfs/dbraw/zinc/12/48/46/766124846.db2.gz RXVHENWRJXNYBA-YTQUADARSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001028553950 766124851 /nfs/dbraw/zinc/12/48/51/766124851.db2.gz RXVHENWRJXNYBA-YTQUADARSA-N 2 1 363.571 3.033 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001046329695 766584259 /nfs/dbraw/zinc/58/42/59/766584259.db2.gz CKUAXEWELLEORE-HQRMLTQVSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001046329695 766584264 /nfs/dbraw/zinc/58/42/64/766584264.db2.gz CKUAXEWELLEORE-HQRMLTQVSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001046329695 766584269 /nfs/dbraw/zinc/58/42/69/766584269.db2.gz CKUAXEWELLEORE-HQRMLTQVSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001046331230 766586071 /nfs/dbraw/zinc/58/60/71/766586071.db2.gz HNLDFECGJWOBSW-XFQXTVEOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331230 766586079 /nfs/dbraw/zinc/58/60/79/766586079.db2.gz HNLDFECGJWOBSW-XFQXTVEOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001046331230 766586087 /nfs/dbraw/zinc/58/60/87/766586087.db2.gz HNLDFECGJWOBSW-XFQXTVEOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc12 ZINC000359990211 210202266 /nfs/dbraw/zinc/20/22/66/210202266.db2.gz AQRXMUZPFLZBEW-GJZGRUSLSA-N 2 1 363.303 3.122 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc12 ZINC000359990211 210202270 /nfs/dbraw/zinc/20/22/70/210202270.db2.gz AQRXMUZPFLZBEW-GJZGRUSLSA-N 2 1 363.303 3.122 20 0 FGADMP COc1ccc(-c2noc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000047969516 257343096 /nfs/dbraw/zinc/34/30/96/257343096.db2.gz AHIWAMATPZXYMC-UHFFFAOYSA-N 2 1 356.470 3.053 20 0 FGADMP O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576755536 505587107 /nfs/dbraw/zinc/58/71/07/505587107.db2.gz OPZIBIUZRFELBQ-UEXGIBASSA-N 2 1 367.468 3.437 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccc(Cl)c3)o2)CC1 ZINC000576758641 505587461 /nfs/dbraw/zinc/58/74/61/505587461.db2.gz BAQCZKAJZNIKNB-APWZRJJASA-N 2 1 361.873 3.323 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651578 505587689 /nfs/dbraw/zinc/58/76/89/505587689.db2.gz KPPBWUZYQLRUJQ-PZJWPPBQSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573651578 505587694 /nfs/dbraw/zinc/58/76/94/505587694.db2.gz KPPBWUZYQLRUJQ-PZJWPPBQSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573651578 505587696 /nfs/dbraw/zinc/58/76/96/505587696.db2.gz KPPBWUZYQLRUJQ-PZJWPPBQSA-N 2 1 374.573 3.318 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000573696187 505598923 /nfs/dbraw/zinc/59/89/23/505598923.db2.gz JUYUGHZDIMZKCX-QFIPXVFZSA-N 2 1 371.569 3.479 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000573696187 505598928 /nfs/dbraw/zinc/59/89/28/505598928.db2.gz JUYUGHZDIMZKCX-QFIPXVFZSA-N 2 1 371.569 3.479 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000573696187 505598932 /nfs/dbraw/zinc/59/89/32/505598932.db2.gz JUYUGHZDIMZKCX-QFIPXVFZSA-N 2 1 371.569 3.479 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H](c1ccccc1)C1CCCC1 ZINC000570964357 505622106 /nfs/dbraw/zinc/62/21/06/505622106.db2.gz PXHCGIRJKRVSFQ-FUDKSRODSA-N 2 1 369.553 3.356 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836223 505629915 /nfs/dbraw/zinc/62/99/15/505629915.db2.gz FUGLWPBKPYPYCM-FCHUYYIVSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836223 505629917 /nfs/dbraw/zinc/62/99/17/505629917.db2.gz FUGLWPBKPYPYCM-FCHUYYIVSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836223 505629922 /nfs/dbraw/zinc/62/99/22/505629922.db2.gz FUGLWPBKPYPYCM-FCHUYYIVSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836223 505629924 /nfs/dbraw/zinc/62/99/24/505629924.db2.gz FUGLWPBKPYPYCM-FCHUYYIVSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836223 505629928 /nfs/dbraw/zinc/62/99/28/505629928.db2.gz FUGLWPBKPYPYCM-FCHUYYIVSA-N 3 1 371.569 3.010 20 0 FGADMP Cc1cccc2nc(CNC(=O)[C@H](c3ccc(Cl)cc3)[NH+](C)C)cn21 ZINC000579855964 505633373 /nfs/dbraw/zinc/63/33/73/505633373.db2.gz INUBEKVUDRSNAS-SFHVURJKSA-N 2 1 356.857 3.215 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCOC1 ZINC000568302480 505661851 /nfs/dbraw/zinc/66/18/51/505661851.db2.gz CGMOETLUKVLWEA-KSEOMHKRSA-N 2 1 372.553 3.320 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035804 505666789 /nfs/dbraw/zinc/66/67/89/505666789.db2.gz MSAMOSRZQBIFAG-JXFKEZNVSA-N 2 1 351.485 3.169 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000573980780 505666149 /nfs/dbraw/zinc/66/61/49/505666149.db2.gz ZBNRHEPSPXASPR-WOJBJXKFSA-N 2 1 367.493 3.055 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095513 493831624 /nfs/dbraw/zinc/83/16/24/493831624.db2.gz CBCSJPHYZLMAGG-PBHICJAKSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095513 493831625 /nfs/dbraw/zinc/83/16/25/493831625.db2.gz CBCSJPHYZLMAGG-PBHICJAKSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095513 493831626 /nfs/dbraw/zinc/83/16/26/493831626.db2.gz CBCSJPHYZLMAGG-PBHICJAKSA-N 2 1 367.921 3.339 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1O ZINC000048816623 493847506 /nfs/dbraw/zinc/84/75/06/493847506.db2.gz WZBJBXLQPDTEHH-CALCHBBNSA-N 2 1 370.493 3.300 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000081293809 493862120 /nfs/dbraw/zinc/86/21/20/493862120.db2.gz MLFNGCRMAKBBKB-JOCHJYFZSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000081290844 493862456 /nfs/dbraw/zinc/86/24/56/493862456.db2.gz PQSRQEHKINKBSF-NRFANRHFSA-N 2 1 355.526 3.277 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)C2CC2)C2CC2)CC1 ZINC000051881710 493991877 /nfs/dbraw/zinc/99/18/77/493991877.db2.gz UVALZMXQRZXKJY-GOSISDBHSA-N 2 1 369.553 3.339 20 0 FGADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958910 493993934 /nfs/dbraw/zinc/99/39/34/493993934.db2.gz XHXMTAAQKMJCLL-SFHVURJKSA-N 2 1 373.541 3.181 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000085364899 494117272 /nfs/dbraw/zinc/11/72/72/494117272.db2.gz LTQLEBMHOZIVOR-OALUTQOASA-N 2 1 374.573 3.269 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000054509979 494242236 /nfs/dbraw/zinc/24/22/36/494242236.db2.gz DDLIGDJJIOQXJY-NRFANRHFSA-N 2 1 372.557 3.204 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCc1cccs1 ZINC000072800718 494252822 /nfs/dbraw/zinc/25/28/22/494252822.db2.gz POYXEELIBIHNPG-HKUYNNGSSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800718 494252825 /nfs/dbraw/zinc/25/28/25/494252825.db2.gz POYXEELIBIHNPG-HKUYNNGSSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCc1cccs1 ZINC000072800718 494252831 /nfs/dbraw/zinc/25/28/31/494252831.db2.gz POYXEELIBIHNPG-HKUYNNGSSA-N 2 1 371.550 3.002 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000065992743 494266895 /nfs/dbraw/zinc/26/68/95/494266895.db2.gz JDWDPFKXLDLLLT-HSALFYBXSA-N 2 1 371.569 3.381 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858740 494267729 /nfs/dbraw/zinc/26/77/29/494267729.db2.gz YNODDBZYQJCDGJ-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858740 494267732 /nfs/dbraw/zinc/26/77/32/494267732.db2.gz YNODDBZYQJCDGJ-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858740 494267734 /nfs/dbraw/zinc/26/77/34/494267734.db2.gz YNODDBZYQJCDGJ-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2nc(-c3ccc(C)c(F)c3)no2)C1 ZINC000072858740 494267737 /nfs/dbraw/zinc/26/77/37/494267737.db2.gz YNODDBZYQJCDGJ-MRXNPFEDSA-N 2 1 360.477 3.390 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000043239801 494278656 /nfs/dbraw/zinc/27/86/56/494278656.db2.gz LHTZGGZSWOQVIH-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000043239801 494278662 /nfs/dbraw/zinc/27/86/62/494278662.db2.gz LHTZGGZSWOQVIH-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000043239801 494278667 /nfs/dbraw/zinc/27/86/67/494278667.db2.gz LHTZGGZSWOQVIH-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000066187774 494285816 /nfs/dbraw/zinc/28/58/16/494285816.db2.gz QHJRFBDJKPOTND-ICSRJNTNSA-N 2 1 372.557 3.338 20 0 FGADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000089393329 494298932 /nfs/dbraw/zinc/29/89/32/494298932.db2.gz RYVKJJLHCLHPIS-IBGZPJMESA-N 2 1 370.541 3.069 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000073214533 494339633 /nfs/dbraw/zinc/33/96/33/494339633.db2.gz NPXMDFNFIQYOPI-QUCCMNQESA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000079116364 494405523 /nfs/dbraw/zinc/40/55/23/494405523.db2.gz YCODHHFPRMAUCN-GOSISDBHSA-N 2 1 352.567 3.110 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000073661182 494408764 /nfs/dbraw/zinc/40/87/64/494408764.db2.gz PPEPVOIBSHZMEZ-LJQANCHMSA-N 2 1 352.567 3.157 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000073661182 494408767 /nfs/dbraw/zinc/40/87/67/494408767.db2.gz PPEPVOIBSHZMEZ-LJQANCHMSA-N 2 1 352.567 3.157 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000073661182 494408771 /nfs/dbraw/zinc/40/87/71/494408771.db2.gz PPEPVOIBSHZMEZ-LJQANCHMSA-N 2 1 352.567 3.157 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402816 505720659 /nfs/dbraw/zinc/72/06/59/505720659.db2.gz PGSHNDXKTOLDPY-UGKGYDQZSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000577402816 505720662 /nfs/dbraw/zinc/72/06/62/505720662.db2.gz PGSHNDXKTOLDPY-UGKGYDQZSA-N 2 1 365.521 3.368 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073677255 494411371 /nfs/dbraw/zinc/41/13/71/494411371.db2.gz SWASCMIOQHIRQO-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073677255 494411373 /nfs/dbraw/zinc/41/13/73/494411373.db2.gz SWASCMIOQHIRQO-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000073677255 494411377 /nfs/dbraw/zinc/41/13/77/494411377.db2.gz SWASCMIOQHIRQO-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000079221368 494422027 /nfs/dbraw/zinc/42/20/27/494422027.db2.gz AXENATINCZPQNG-TZIWHRDSSA-N 2 1 374.573 3.113 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000090010460 494428318 /nfs/dbraw/zinc/42/83/18/494428318.db2.gz JOPLKTGFZCPRTC-OAQYLSRUSA-N 2 1 357.542 3.074 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000073919030 494449194 /nfs/dbraw/zinc/44/91/94/494449194.db2.gz POAAKTTYIJRNHP-HKBOAZHASA-N 2 1 370.541 3.010 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000045789879 494462239 /nfs/dbraw/zinc/46/22/39/494462239.db2.gz KGFXSZJSAXVCSU-GOSISDBHSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000045789879 494462242 /nfs/dbraw/zinc/46/22/42/494462242.db2.gz KGFXSZJSAXVCSU-GOSISDBHSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000045789879 494462245 /nfs/dbraw/zinc/46/22/45/494462245.db2.gz KGFXSZJSAXVCSU-GOSISDBHSA-N 2 1 360.546 3.200 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000056156210 494463589 /nfs/dbraw/zinc/46/35/89/494463589.db2.gz RQJVQXYWRYOECI-DLBZAZTESA-N 2 1 370.497 3.474 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)on1 ZINC000056156210 494463592 /nfs/dbraw/zinc/46/35/92/494463592.db2.gz RQJVQXYWRYOECI-DLBZAZTESA-N 2 1 370.497 3.474 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc(F)cc1N(C)C ZINC000090524373 494478186 /nfs/dbraw/zinc/47/81/86/494478186.db2.gz UHZDOFFFKFPQQT-VMRPVKRXSA-N 2 1 363.521 3.310 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000090586410 494484376 /nfs/dbraw/zinc/48/43/76/494484376.db2.gz LDQVKMRCXPESQF-HOTGVXAUSA-N 2 1 370.534 3.248 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000090586410 494484380 /nfs/dbraw/zinc/48/43/80/494484380.db2.gz LDQVKMRCXPESQF-HOTGVXAUSA-N 2 1 370.534 3.248 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](O)Cc1ccccc1 ZINC000090653664 494491151 /nfs/dbraw/zinc/49/11/51/494491151.db2.gz KQOVGMQEBAMUIA-WZONZLPQSA-N 2 1 370.512 3.414 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090658129 494491741 /nfs/dbraw/zinc/49/17/41/494491741.db2.gz GKPDMZSHNGMYPZ-GBAJDQEWSA-N 2 1 374.569 3.268 20 0 FGADMP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090809613 494498112 /nfs/dbraw/zinc/49/81/12/494498112.db2.gz DYMHBRMCUXVGLI-HXUWFJFHSA-N 2 1 350.522 3.465 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC000074220890 494500251 /nfs/dbraw/zinc/50/02/51/494500251.db2.gz AMBDZGDIXGYRLL-NRFANRHFSA-N 2 1 371.569 3.477 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000074249371 494503900 /nfs/dbraw/zinc/50/39/00/494503900.db2.gz CIUMMJQMEFWONW-UHFFFAOYSA-N 2 1 360.477 3.126 20 0 FGADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[NH+](CC)CC ZINC000574237725 505727148 /nfs/dbraw/zinc/72/71/48/505727148.db2.gz UREYGUHRULNIOU-SJLPKXTDSA-N 2 1 351.560 3.197 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000067282516 494507737 /nfs/dbraw/zinc/50/77/37/494507737.db2.gz UWXPZGZPDURBET-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000074298041 494513107 /nfs/dbraw/zinc/51/31/07/494513107.db2.gz ULHHLPFXYAIFHH-NRFANRHFSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000056522387 494519708 /nfs/dbraw/zinc/51/97/08/494519708.db2.gz ARMGCHKGHGJCHP-UHFFFAOYSA-N 2 1 357.420 3.308 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC[C@@H](C)C1 ZINC000046368010 494521704 /nfs/dbraw/zinc/52/17/04/494521704.db2.gz OTTAHUWOYGKWJP-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000046368010 494521710 /nfs/dbraw/zinc/52/17/10/494521710.db2.gz OTTAHUWOYGKWJP-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000046368010 494521715 /nfs/dbraw/zinc/52/17/15/494521715.db2.gz OTTAHUWOYGKWJP-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000067409141 494534287 /nfs/dbraw/zinc/53/42/87/494534287.db2.gz ALSUTSUMDGYXDH-RBUKOAKNSA-N 2 1 374.573 3.400 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccsc1 ZINC000079981592 494562750 /nfs/dbraw/zinc/56/27/50/494562750.db2.gz YGCVIRKWMUYASQ-QGZVFWFLSA-N 2 1 363.531 3.025 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccc(O)c(OC)c2)CC1 ZINC000125984370 494596428 /nfs/dbraw/zinc/59/64/28/494596428.db2.gz YTUPOTFOWYPGSB-UHFFFAOYSA-N 2 1 369.509 3.175 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080164823 494619918 /nfs/dbraw/zinc/61/99/18/494619918.db2.gz PCWKGWVPBMTWJP-TZIWHRDSSA-N 2 1 374.573 3.269 20 0 FGADMP COCCCCC[N@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091708433 494654733 /nfs/dbraw/zinc/65/47/33/494654733.db2.gz IJZBBJSGOFOBJY-UHFFFAOYSA-N 2 1 363.546 3.420 20 0 FGADMP COCCCCC[N@@H+](C)C1CCN(Cc2[nH+]cc(C)c(OC)c2C)CC1 ZINC000091708433 494654743 /nfs/dbraw/zinc/65/47/43/494654743.db2.gz IJZBBJSGOFOBJY-UHFFFAOYSA-N 2 1 363.546 3.420 20 0 FGADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000074992083 494670023 /nfs/dbraw/zinc/67/00/23/494670023.db2.gz MLEFURVPYZZXHG-NHCUHLMSSA-N 2 1 357.542 3.245 20 0 FGADMP COc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc(OC)c1 ZINC000092587258 494678188 /nfs/dbraw/zinc/67/81/88/494678188.db2.gz MQTVJJRPZBGHGR-CALCHBBNSA-N 2 1 362.514 3.025 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092693453 494714830 /nfs/dbraw/zinc/71/48/30/494714830.db2.gz WLNUAMQVDOAHGG-HXUWFJFHSA-N 2 1 358.530 3.021 20 0 FGADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080610605 494745362 /nfs/dbraw/zinc/74/53/62/494745362.db2.gz BLUWDRXZEXYDIV-PKOBYXMFSA-N 2 1 359.539 3.048 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080611591 494746361 /nfs/dbraw/zinc/74/63/61/494746361.db2.gz GTWBAKDBPFSDLN-OALUTQOASA-N 2 1 373.566 3.357 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCCCN2C(C)C)CC1 ZINC000580338177 505735827 /nfs/dbraw/zinc/73/58/27/505735827.db2.gz MLGVIDDEWYLRBD-NRFANRHFSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[N@H+](C)CCCC1CCN(C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000580338177 505735830 /nfs/dbraw/zinc/73/58/30/505735830.db2.gz MLGVIDDEWYLRBD-NRFANRHFSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN(C[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000580338177 505735834 /nfs/dbraw/zinc/73/58/34/505735834.db2.gz MLGVIDDEWYLRBD-NRFANRHFSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[NH+](C)CCCC1CCN(C[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000580338177 505735838 /nfs/dbraw/zinc/73/58/38/505735838.db2.gz MLGVIDDEWYLRBD-NRFANRHFSA-N 2 1 353.595 3.320 20 0 FGADMP COCC[NH+](C)CCCC1CCN(C[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000580338177 505735841 /nfs/dbraw/zinc/73/58/41/505735841.db2.gz MLGVIDDEWYLRBD-NRFANRHFSA-N 2 1 353.595 3.320 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000047835200 494781805 /nfs/dbraw/zinc/78/18/05/494781805.db2.gz PFDTVXMFCWNBPG-UHFFFAOYSA-N 2 1 360.546 3.200 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000116817435 494857286 /nfs/dbraw/zinc/85/72/86/494857286.db2.gz XMPYLIOXYOVTQQ-INIZCTEOSA-N 2 1 353.894 3.093 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](COCC)C2)CC1 ZINC000093419172 494889994 /nfs/dbraw/zinc/88/99/94/494889994.db2.gz ZGHFMHLOYDRJSX-HXUWFJFHSA-N 2 1 359.558 3.467 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000093683894 494911415 /nfs/dbraw/zinc/91/14/15/494911415.db2.gz RCOQEMOMXIKERD-LJQANCHMSA-N 2 1 374.525 3.163 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1C ZINC000093683894 494911417 /nfs/dbraw/zinc/91/14/17/494911417.db2.gz RCOQEMOMXIKERD-LJQANCHMSA-N 2 1 374.525 3.163 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000127291503 494922962 /nfs/dbraw/zinc/92/29/62/494922962.db2.gz PEIPOFNZBMHUIU-PXNSSMCTSA-N 2 1 372.557 3.212 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000122333076 494958806 /nfs/dbraw/zinc/95/88/06/494958806.db2.gz OMSPRCKNDICELG-CEXWTWQISA-N 2 1 357.542 3.337 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514005 505751918 /nfs/dbraw/zinc/75/19/18/505751918.db2.gz MHTPPQAZZACBTH-MLDBQTBOSA-N 2 1 368.521 3.463 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(OC)c1 ZINC000122380753 494966744 /nfs/dbraw/zinc/96/67/44/494966744.db2.gz QCABJTKMWOYZCH-MRXNPFEDSA-N 2 1 358.482 3.495 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110914778 495021361 /nfs/dbraw/zinc/02/13/61/495021361.db2.gz FUJSCHYIPDRBHI-FQEVSTJZSA-N 2 1 371.569 3.477 20 0 FGADMP C[C@@H]1CSCC[NH+](Cc2cncc(C[N@@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577876 505756315 /nfs/dbraw/zinc/75/63/15/505756315.db2.gz WDPSLXRNIUBEJN-IRXDYDNUSA-N 2 1 365.612 3.451 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090114 495037999 /nfs/dbraw/zinc/03/79/99/495037999.db2.gz GSTLMSLOZUJYOX-VXKWHMMOSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+]1CCC(CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000571540475 505758068 /nfs/dbraw/zinc/75/80/68/505758068.db2.gz XASOFVAUAKGMLC-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000118874379 495051574 /nfs/dbraw/zinc/05/15/74/495051574.db2.gz UVWHIAUVRRDXLC-IBGZPJMESA-N 2 1 354.498 3.350 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cn1 ZINC000122973751 495062308 /nfs/dbraw/zinc/06/23/08/495062308.db2.gz FCTRAALMBOYOFQ-SJORKVTESA-N 2 1 371.485 3.111 20 0 FGADMP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000119061239 495082808 /nfs/dbraw/zinc/08/28/08/495082808.db2.gz MZMXLAFQDBDLKW-OAHLLOKOSA-N 2 1 360.889 3.350 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)n2)c1 ZINC000119061239 495082811 /nfs/dbraw/zinc/08/28/11/495082811.db2.gz MZMXLAFQDBDLKW-OAHLLOKOSA-N 2 1 360.889 3.350 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123342549 495117569 /nfs/dbraw/zinc/11/75/69/495117569.db2.gz ROHJTQAGZIMZLX-CQSZACIVSA-N 2 1 353.457 3.346 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000119386442 495156597 /nfs/dbraw/zinc/15/65/97/495156597.db2.gz PKVVDRNBFYQCEN-ICSRJNTNSA-N 2 1 372.557 3.069 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H](C[NH3+])C3)c2c1C ZINC000568732402 505764397 /nfs/dbraw/zinc/76/43/97/505764397.db2.gz SWNBOQRXBLLLLY-HNNXBMFYSA-N 2 1 359.543 3.079 20 0 FGADMP CC(C)[C@@H]1C[NH+](CC2(C[N@@H+]3CCS[C@@H](C(C)C)C3)COC2)CCS1 ZINC000119448276 495169402 /nfs/dbraw/zinc/16/94/02/495169402.db2.gz LMMWAAYALRYCEO-HDICACEKSA-N 2 1 372.644 3.150 20 0 FGADMP CC(C)[C@@H]1C[NH+](CC2(C[N@H+]3CCS[C@@H](C(C)C)C3)COC2)CCS1 ZINC000119448276 495169406 /nfs/dbraw/zinc/16/94/06/495169406.db2.gz LMMWAAYALRYCEO-HDICACEKSA-N 2 1 372.644 3.150 20 0 FGADMP CC(C)[C@@H]1C[N@H+](CC2(C[NH+]3CCS[C@@H](C(C)C)C3)COC2)CCS1 ZINC000119448276 495169410 /nfs/dbraw/zinc/16/94/10/495169410.db2.gz LMMWAAYALRYCEO-HDICACEKSA-N 2 1 372.644 3.150 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](CC2(C[NH+]3CCS[C@@H](C(C)C)C3)COC2)CCS1 ZINC000119448276 495169412 /nfs/dbraw/zinc/16/94/12/495169412.db2.gz LMMWAAYALRYCEO-HDICACEKSA-N 2 1 372.644 3.150 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000119629178 495205948 /nfs/dbraw/zinc/20/59/48/495205948.db2.gz XWVMPXZMLUZFNB-CBQOVEMMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000119629178 495205952 /nfs/dbraw/zinc/20/59/52/495205952.db2.gz XWVMPXZMLUZFNB-CBQOVEMMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000119629178 495205955 /nfs/dbraw/zinc/20/59/55/495205955.db2.gz XWVMPXZMLUZFNB-CBQOVEMMSA-N 2 1 372.557 3.023 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870868 495212384 /nfs/dbraw/zinc/21/23/84/495212384.db2.gz CNVBOAPGLDNYMH-YLJYHZDGSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870868 495212386 /nfs/dbraw/zinc/21/23/86/495212386.db2.gz CNVBOAPGLDNYMH-YLJYHZDGSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134870868 495212390 /nfs/dbraw/zinc/21/23/90/495212390.db2.gz CNVBOAPGLDNYMH-YLJYHZDGSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134870868 495212395 /nfs/dbraw/zinc/21/23/95/495212395.db2.gz CNVBOAPGLDNYMH-YLJYHZDGSA-N 2 1 371.525 3.363 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)on1 ZINC000112708725 495227875 /nfs/dbraw/zinc/22/78/75/495227875.db2.gz YFHLTMWWEAMXQN-KRWDZBQOSA-N 2 1 370.497 3.476 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000119759572 495235051 /nfs/dbraw/zinc/23/50/51/495235051.db2.gz YTNHMDCHKNUOHG-SFHVURJKSA-N 2 1 371.550 3.452 20 0 FGADMP CN(C(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111593 495252133 /nfs/dbraw/zinc/25/21/33/495252133.db2.gz IJYJYOPXHWDJNH-NRFANRHFSA-N 2 1 365.521 3.493 20 0 FGADMP CN(C(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111593 495252137 /nfs/dbraw/zinc/25/21/37/495252137.db2.gz IJYJYOPXHWDJNH-NRFANRHFSA-N 2 1 365.521 3.493 20 0 FGADMP CN(C(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111593 495252142 /nfs/dbraw/zinc/25/21/42/495252142.db2.gz IJYJYOPXHWDJNH-NRFANRHFSA-N 2 1 365.521 3.493 20 0 FGADMP COC[C@H]1CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@H](COC)C3)cc2)C1 ZINC000112986540 495263548 /nfs/dbraw/zinc/26/35/48/495263548.db2.gz XLWTYYBIDJJXIQ-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP O=C(C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000104676289 495296225 /nfs/dbraw/zinc/29/62/25/495296225.db2.gz VJSSWPOAXFZJDV-QFIPXVFZSA-N 2 1 367.537 3.271 20 0 FGADMP Cc1noc(C)c1CC[N@@H+](C)[C@H]1CCC[NH+](CCc2c(C)noc2C)CC1 ZINC000120066092 495300173 /nfs/dbraw/zinc/30/01/73/495300173.db2.gz IRLNKHZZTHUQJX-IBGZPJMESA-N 2 1 374.529 3.468 20 0 FGADMP Cc1noc(C)c1CC[N@H+](C)[C@H]1CCC[NH+](CCc2c(C)noc2C)CC1 ZINC000120066092 495300176 /nfs/dbraw/zinc/30/01/76/495300176.db2.gz IRLNKHZZTHUQJX-IBGZPJMESA-N 2 1 374.529 3.468 20 0 FGADMP Cc1noc(C)c1CC[NH+](C)[C@H]1CCC[N@H+](CCc2c(C)noc2C)CC1 ZINC000120066092 495300180 /nfs/dbraw/zinc/30/01/80/495300180.db2.gz IRLNKHZZTHUQJX-IBGZPJMESA-N 2 1 374.529 3.468 20 0 FGADMP Cc1noc(C)c1CC[NH+](C)[C@H]1CCC[N@@H+](CCc2c(C)noc2C)CC1 ZINC000120066092 495300183 /nfs/dbraw/zinc/30/01/83/495300183.db2.gz IRLNKHZZTHUQJX-IBGZPJMESA-N 2 1 374.529 3.468 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113591638 495318521 /nfs/dbraw/zinc/31/85/21/495318521.db2.gz BHUMMHCDNUHXEE-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000105113480 495337926 /nfs/dbraw/zinc/33/79/26/495337926.db2.gz BQABTMGOZSWRSJ-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000105113480 495337928 /nfs/dbraw/zinc/33/79/28/495337928.db2.gz BQABTMGOZSWRSJ-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000105113480 495337929 /nfs/dbraw/zinc/33/79/29/495337929.db2.gz BQABTMGOZSWRSJ-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]2C[NH2+]CCCO2)c1 ZINC000571623234 505775784 /nfs/dbraw/zinc/77/57/84/505775784.db2.gz RXPDHJBBVVXSRB-SFHVURJKSA-N 2 1 368.506 3.069 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000105274773 495351437 /nfs/dbraw/zinc/35/14/37/495351437.db2.gz GKMZGFGPPKJOGM-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105274773 495351440 /nfs/dbraw/zinc/35/14/40/495351440.db2.gz GKMZGFGPPKJOGM-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105274773 495351442 /nfs/dbraw/zinc/35/14/42/495351442.db2.gz GKMZGFGPPKJOGM-HXUWFJFHSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)c1cccs1 ZINC000125004492 495376372 /nfs/dbraw/zinc/37/63/72/495376372.db2.gz NTHHKPFQDOPRHE-INIZCTEOSA-N 2 1 373.522 3.260 20 0 FGADMP COc1cccc2c(N3CCN(C[C@@H]4CCCC[N@@H+]4C)CC3)cc(C)[nH+]c12 ZINC000125147376 495397605 /nfs/dbraw/zinc/39/76/05/495397605.db2.gz IPSWVOTWXINUPD-SFHVURJKSA-N 2 1 368.525 3.158 20 0 FGADMP COc1cccc2c(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc(C)[nH+]c12 ZINC000125147376 495397607 /nfs/dbraw/zinc/39/76/07/495397607.db2.gz IPSWVOTWXINUPD-SFHVURJKSA-N 2 1 368.525 3.158 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccccc3C)CC2)CC1 ZINC000130737609 495437733 /nfs/dbraw/zinc/43/77/33/495437733.db2.gz DMAFSQRGPNGEPX-IBGZPJMESA-N 2 1 357.542 3.322 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000130848904 495455263 /nfs/dbraw/zinc/45/52/63/495455263.db2.gz BQRJRVKVFNRXEG-IRXDYDNUSA-N 2 1 354.498 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C ZINC000130848904 495455267 /nfs/dbraw/zinc/45/52/67/495455267.db2.gz BQRJRVKVFNRXEG-IRXDYDNUSA-N 2 1 354.498 3.270 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000138157059 495456495 /nfs/dbraw/zinc/45/64/95/495456495.db2.gz IOIPPQTVQFDTQD-XVAXZDLZSA-N 2 1 372.557 3.071 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000571652966 505783738 /nfs/dbraw/zinc/78/37/38/505783738.db2.gz DILSBLQGSIDKSJ-UHFFFAOYSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000106531979 495464112 /nfs/dbraw/zinc/46/41/12/495464112.db2.gz DEFYACLYQBVQNZ-CEXWTWQISA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000106531979 495464114 /nfs/dbraw/zinc/46/41/14/495464114.db2.gz DEFYACLYQBVQNZ-CEXWTWQISA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000106531979 495464119 /nfs/dbraw/zinc/46/41/19/495464119.db2.gz DEFYACLYQBVQNZ-CEXWTWQISA-N 2 1 364.578 3.061 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106530842 495464292 /nfs/dbraw/zinc/46/42/92/495464292.db2.gz RZUMEAINVLIESG-TZIWHRDSSA-N 2 1 370.541 3.140 20 0 FGADMP O=C(NCCc1cn2ccccc2n1)[C@H]1CCCCN1Cc1ccccc1 ZINC000120915878 495484917 /nfs/dbraw/zinc/48/49/17/495484917.db2.gz PPJFREAOETUQSG-HXUWFJFHSA-N 2 1 362.477 3.048 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C2CC[NH+](CC(C)C)CC2)cc(OC)c1OC ZINC000131191902 495503772 /nfs/dbraw/zinc/50/37/72/495503772.db2.gz UIDMPNYHWSMCEZ-OAHLLOKOSA-N 2 1 350.503 3.483 20 0 FGADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(F)c(F)c3)no2)C1 ZINC000131233663 495509835 /nfs/dbraw/zinc/50/98/35/495509835.db2.gz VEBDIQVZMZUGSY-ZDUSSCGKSA-N 2 1 373.407 3.203 20 0 FGADMP C[C@@H](NC(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182362734 495534072 /nfs/dbraw/zinc/53/40/72/495534072.db2.gz NPDFUKVYEODCFC-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437386 495564010 /nfs/dbraw/zinc/56/40/10/495564010.db2.gz DYDVITPJFDFXFN-IRXDYDNUSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437386 495564014 /nfs/dbraw/zinc/56/40/14/495564014.db2.gz DYDVITPJFDFXFN-IRXDYDNUSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437386 495564017 /nfs/dbraw/zinc/56/40/17/495564017.db2.gz DYDVITPJFDFXFN-IRXDYDNUSA-N 2 1 354.922 3.052 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(C)ccc2Cl)C1 ZINC000182437386 495564020 /nfs/dbraw/zinc/56/40/20/495564020.db2.gz DYDVITPJFDFXFN-IRXDYDNUSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000173557471 495587009 /nfs/dbraw/zinc/58/70/09/495587009.db2.gz VULMOYJEQOFEDH-YLJYHZDGSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000173564632 495589976 /nfs/dbraw/zinc/58/99/76/495589976.db2.gz SDGYLWQRMLENRL-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158836175 495597150 /nfs/dbraw/zinc/59/71/50/495597150.db2.gz QKWDTPYFUFVDHF-SFHVURJKSA-N 2 1 358.592 3.176 20 0 FGADMP CC(C)S(=O)(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158836175 495597152 /nfs/dbraw/zinc/59/71/52/495597152.db2.gz QKWDTPYFUFVDHF-SFHVURJKSA-N 2 1 358.592 3.176 20 0 FGADMP Cc1csc(=O)n1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158844603 495599612 /nfs/dbraw/zinc/59/96/12/495599612.db2.gz XRGZHHMVSMCWJO-INIZCTEOSA-N 2 1 351.560 3.195 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158937257 495620101 /nfs/dbraw/zinc/62/01/01/495620101.db2.gz ZWJJSIKSZPROHZ-FYZZASKESA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)c1ccccc1 ZINC000158937257 495620106 /nfs/dbraw/zinc/62/01/06/495620106.db2.gz ZWJJSIKSZPROHZ-FYZZASKESA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000158937257 495620110 /nfs/dbraw/zinc/62/01/10/495620110.db2.gz ZWJJSIKSZPROHZ-FYZZASKESA-N 2 1 357.542 3.449 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000158937257 495620114 /nfs/dbraw/zinc/62/01/14/495620114.db2.gz ZWJJSIKSZPROHZ-FYZZASKESA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000182582356 495624540 /nfs/dbraw/zinc/62/45/40/495624540.db2.gz LUFHOZFJNFCSDO-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)c3c[nH+]ccc3N(C)C)C2)s1 ZINC000577793564 505793496 /nfs/dbraw/zinc/79/34/96/505793496.db2.gz LWKRQFZMSKIMOP-MRXNPFEDSA-N 2 1 372.538 3.112 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3c[nH+]ccc3N(C)C)C2)s1 ZINC000577793564 505793499 /nfs/dbraw/zinc/79/34/99/505793499.db2.gz LWKRQFZMSKIMOP-MRXNPFEDSA-N 2 1 372.538 3.112 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176413606 495643180 /nfs/dbraw/zinc/64/31/80/495643180.db2.gz NUJZEFVBCXWJMA-CTNGQTDRSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000176413606 495643185 /nfs/dbraw/zinc/64/31/85/495643185.db2.gz NUJZEFVBCXWJMA-CTNGQTDRSA-N 2 1 373.516 3.125 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182649954 495649975 /nfs/dbraw/zinc/64/99/75/495649975.db2.gz IGLTUUGPVUMWHE-IPMKNSEASA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182649954 495649978 /nfs/dbraw/zinc/64/99/78/495649978.db2.gz IGLTUUGPVUMWHE-IPMKNSEASA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182649954 495649985 /nfs/dbraw/zinc/64/99/85/495649985.db2.gz IGLTUUGPVUMWHE-IPMKNSEASA-N 2 1 364.578 3.203 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC2)oc1C ZINC000182653584 495650826 /nfs/dbraw/zinc/65/08/26/495650826.db2.gz YPHCWVNILFLCPG-AWEZNQCLSA-N 2 1 365.518 3.213 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3c[nH]c(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000179654480 495678283 /nfs/dbraw/zinc/67/82/83/495678283.db2.gz LUJCDYWDAPXARD-ROUUACIJSA-N 2 1 368.525 3.398 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(-c4ccccc4)[nH]3)CC2)C[C@H](C)O1 ZINC000179654480 495678291 /nfs/dbraw/zinc/67/82/91/495678291.db2.gz LUJCDYWDAPXARD-ROUUACIJSA-N 2 1 368.525 3.398 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000179677381 495687601 /nfs/dbraw/zinc/68/76/01/495687601.db2.gz IPRJEGCXPZRSSD-UHFFFAOYSA-N 2 1 372.513 3.307 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154677487 495692515 /nfs/dbraw/zinc/69/25/15/495692515.db2.gz JKMFYOLFOXIPGO-NVXWUHKLSA-N 2 1 358.448 3.273 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154677487 495692518 /nfs/dbraw/zinc/69/25/18/495692518.db2.gz JKMFYOLFOXIPGO-NVXWUHKLSA-N 2 1 358.448 3.273 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721371 495697172 /nfs/dbraw/zinc/69/71/72/495697172.db2.gz STSCYJLYUJIPJM-RDJZCZTQSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721371 495697175 /nfs/dbraw/zinc/69/71/75/495697175.db2.gz STSCYJLYUJIPJM-RDJZCZTQSA-N 2 1 363.933 3.199 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185733424 495702155 /nfs/dbraw/zinc/70/21/55/495702155.db2.gz HWUVNEYIOARJDN-QKNQBKEWSA-N 2 1 360.542 3.286 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746723 495708122 /nfs/dbraw/zinc/70/81/22/495708122.db2.gz AJHLGCQBOPYODZ-AZUAARDMSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746723 495708130 /nfs/dbraw/zinc/70/81/30/495708130.db2.gz AJHLGCQBOPYODZ-AZUAARDMSA-N 2 1 357.542 3.196 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000176584866 495709264 /nfs/dbraw/zinc/70/92/64/495709264.db2.gz LFGJGPLBHQSAKN-UXHICEINSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cnccc1NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179817411 495746449 /nfs/dbraw/zinc/74/64/49/495746449.db2.gz GGMUEBUKNAYWCM-PMACEKPBSA-N 2 1 373.545 3.191 20 0 FGADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc2ccccc21 ZINC000179966964 495803785 /nfs/dbraw/zinc/80/37/85/495803785.db2.gz AMGBKBIKJSCOGT-UHFFFAOYSA-N 2 1 361.493 3.014 20 0 FGADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)Cc1cccc2ccccc21 ZINC000179966964 495803791 /nfs/dbraw/zinc/80/37/91/495803791.db2.gz AMGBKBIKJSCOGT-UHFFFAOYSA-N 2 1 361.493 3.014 20 0 FGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3noc(-c4ccccc4)n3)CC2)C[C@H](C)O1 ZINC000171306236 495813620 /nfs/dbraw/zinc/81/36/20/495813620.db2.gz KJQKGJFEMXHCCQ-CALCHBBNSA-N 2 1 370.497 3.058 20 0 FGADMP CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000174180980 495851677 /nfs/dbraw/zinc/85/16/77/495851677.db2.gz VTTPIUKSBMAWTN-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000174180980 495851684 /nfs/dbraw/zinc/85/16/84/495851684.db2.gz VTTPIUKSBMAWTN-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP COc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccc1O ZINC000180126525 495869122 /nfs/dbraw/zinc/86/91/22/495869122.db2.gz YBZAONQNICZILC-UHFFFAOYSA-N 2 1 359.470 3.007 20 0 FGADMP O=C(NCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000180156048 495883617 /nfs/dbraw/zinc/88/36/17/495883617.db2.gz QHHRCKNQVITUSD-SEJPIABJSA-N 2 1 355.526 3.078 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](CC2CCCC2)CC1)c1ccccc1 ZINC000171480566 495894671 /nfs/dbraw/zinc/89/46/71/495894671.db2.gz FQZXVIAGGSSIPN-NRFANRHFSA-N 2 1 357.542 3.450 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000571772385 505812066 /nfs/dbraw/zinc/81/20/66/505812066.db2.gz QKVDHYHFADAGFZ-QRWLVFNGSA-N 2 1 350.466 3.074 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000177126976 495937670 /nfs/dbraw/zinc/93/76/70/495937670.db2.gz OHVASHQIHVIWIZ-CJNGLKHVSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000177126976 495937673 /nfs/dbraw/zinc/93/76/73/495937673.db2.gz OHVASHQIHVIWIZ-CJNGLKHVSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126976 495937680 /nfs/dbraw/zinc/93/76/80/495937680.db2.gz OHVASHQIHVIWIZ-CJNGLKHVSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126976 495937687 /nfs/dbraw/zinc/93/76/87/495937687.db2.gz OHVASHQIHVIWIZ-CJNGLKHVSA-N 2 1 357.420 3.449 20 0 FGADMP CN(C)C(=O)c1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404145 495944733 /nfs/dbraw/zinc/94/47/33/495944733.db2.gz XHBDVRVSISORSJ-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000174404145 495944739 /nfs/dbraw/zinc/94/47/39/495944739.db2.gz XHBDVRVSISORSJ-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000174404145 495944744 /nfs/dbraw/zinc/94/47/44/495944744.db2.gz XHBDVRVSISORSJ-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP CN(C)C(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000174404145 495944748 /nfs/dbraw/zinc/94/47/48/495944748.db2.gz XHBDVRVSISORSJ-OAQYLSRUSA-N 2 1 365.521 3.342 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174406847 495945324 /nfs/dbraw/zinc/94/53/24/495945324.db2.gz BCRQKHQDYPDZBI-QAPCUYQASA-N 2 1 352.906 3.329 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174406847 495945328 /nfs/dbraw/zinc/94/53/28/495945328.db2.gz BCRQKHQDYPDZBI-QAPCUYQASA-N 2 1 352.906 3.329 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656377 495975415 /nfs/dbraw/zinc/97/54/15/495975415.db2.gz UWJVVAYDKNFKFU-ZDUSSCGKSA-N 2 1 372.340 3.444 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cncc(F)c1 ZINC000151901506 495986810 /nfs/dbraw/zinc/98/68/10/495986810.db2.gz ISGQSWQQOZNNBI-DYESRHJHSA-N 2 1 356.489 3.250 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000155585970 496003644 /nfs/dbraw/zinc/00/36/44/496003644.db2.gz SXSATQGFVSCKNR-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000155585970 496003651 /nfs/dbraw/zinc/00/36/51/496003651.db2.gz SXSATQGFVSCKNR-UHFFFAOYSA-N 2 1 369.484 3.235 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000151993102 496016111 /nfs/dbraw/zinc/01/61/11/496016111.db2.gz UNCXBQGJXLOINB-LJQANCHMSA-N 2 1 369.513 3.054 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000177340697 496024487 /nfs/dbraw/zinc/02/44/87/496024487.db2.gz PNOPURNOBIJEFK-PMPSAXMXSA-N 2 1 373.324 3.292 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000177340697 496024492 /nfs/dbraw/zinc/02/44/92/496024492.db2.gz PNOPURNOBIJEFK-PMPSAXMXSA-N 2 1 373.324 3.292 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000177340697 496024499 /nfs/dbraw/zinc/02/44/99/496024499.db2.gz PNOPURNOBIJEFK-PMPSAXMXSA-N 2 1 373.324 3.292 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000177430468 496059218 /nfs/dbraw/zinc/05/92/18/496059218.db2.gz WAQKHHFKHNEBHZ-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000177430468 496059224 /nfs/dbraw/zinc/05/92/24/496059224.db2.gz WAQKHHFKHNEBHZ-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000571817300 505820579 /nfs/dbraw/zinc/82/05/79/505820579.db2.gz WRDWWHMSKVYYKA-NQIIRXRSSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000571817300 505820582 /nfs/dbraw/zinc/82/05/82/505820582.db2.gz WRDWWHMSKVYYKA-NQIIRXRSSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3cn4ccccc4n3)CC2)C[C@H](C)O1 ZINC000177502709 496089233 /nfs/dbraw/zinc/08/92/33/496089233.db2.gz ZQVFXDYKVMCBLW-HDICACEKSA-N 2 1 356.514 3.046 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cn4ccccc4n3)CC2)C[C@H](C)O1 ZINC000177502709 496089236 /nfs/dbraw/zinc/08/92/36/496089236.db2.gz ZQVFXDYKVMCBLW-HDICACEKSA-N 2 1 356.514 3.046 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000155892816 496098648 /nfs/dbraw/zinc/09/86/48/496098648.db2.gz XSMJBZDNJWDZJS-SFHVURJKSA-N 2 1 357.542 3.457 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156287907 496207418 /nfs/dbraw/zinc/20/74/18/496207418.db2.gz RDALGCVXFLAXPH-SBHAEUEKSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@@H]([NH2+]Cc1nncn1-c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000152647631 496214760 /nfs/dbraw/zinc/21/47/60/496214760.db2.gz SJSFIVGZYVFXTG-QGZVFWFLSA-N 2 1 365.481 3.059 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156392273 496232233 /nfs/dbraw/zinc/23/22/33/496232233.db2.gz YNNTXVQTURHYBN-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156392273 496232242 /nfs/dbraw/zinc/23/22/42/496232242.db2.gz YNNTXVQTURHYBN-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CCC(S(C)(=O)=O)CC2)cc1 ZINC000181118387 496277015 /nfs/dbraw/zinc/27/70/15/496277015.db2.gz XEZLAGDJYORXGJ-STJZUHDESA-N 2 1 361.511 3.187 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989921 505834952 /nfs/dbraw/zinc/83/49/52/505834952.db2.gz YUFVWPJIVFNMST-UNMCSNQZSA-N 2 1 354.494 3.024 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000577989921 505834957 /nfs/dbraw/zinc/83/49/57/505834957.db2.gz YUFVWPJIVFNMST-UNMCSNQZSA-N 2 1 354.494 3.024 20 0 FGADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178034342 496297592 /nfs/dbraw/zinc/29/75/92/496297592.db2.gz CELDILCCWVKBCH-GBESFXJTSA-N 2 1 361.530 3.191 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000162389723 496347180 /nfs/dbraw/zinc/34/71/80/496347180.db2.gz MEGBLNZBTIGZFW-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP c1cn(Cc2ccccc2)nc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000578004916 505839592 /nfs/dbraw/zinc/83/95/92/505839592.db2.gz MTRWXNZPTHYKQL-GGAORHGYSA-N 2 1 374.488 3.277 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000175401136 496375179 /nfs/dbraw/zinc/37/51/79/496375179.db2.gz JAYKHIMSBHRMOG-HXUWFJFHSA-N 2 1 360.546 3.153 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C2CCS(=O)(=O)CC2)cc1 ZINC000187290924 496379163 /nfs/dbraw/zinc/37/91/63/496379163.db2.gz LIATVERUHKLUNA-HUUCEWRRSA-N 2 1 361.511 3.045 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000175417704 496383060 /nfs/dbraw/zinc/38/30/60/496383060.db2.gz ICLDGKLXGCOGJN-ZWKOTPCHSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000175417704 496383065 /nfs/dbraw/zinc/38/30/65/496383065.db2.gz ICLDGKLXGCOGJN-ZWKOTPCHSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCCc2ccccc2)cc1 ZINC000181409685 496383856 /nfs/dbraw/zinc/38/38/56/496383856.db2.gz JYYGUCKBLVHOCB-QGZVFWFLSA-N 2 1 362.477 3.190 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cc2)CC1 ZINC000181518379 496429439 /nfs/dbraw/zinc/42/94/39/496429439.db2.gz YHBKBFZJWOMKQE-BDTNDASRSA-N 2 1 371.569 3.117 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)C2CCN(c3ccc(C)c[nH+]3)CC2)c1 ZINC000178421041 496450315 /nfs/dbraw/zinc/45/03/15/496450315.db2.gz XCJQAOGRTHKVKO-UHFFFAOYSA-N 2 1 352.482 3.355 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[NH+]1CCCC1 ZINC000157521326 496494211 /nfs/dbraw/zinc/49/42/11/496494211.db2.gz VVGXOVRNMYRPLJ-VQIMIIECSA-N 2 1 363.550 3.027 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)oc1C ZINC000181740226 496524797 /nfs/dbraw/zinc/52/47/97/496524797.db2.gz PYJRQFYIOCFXEB-SXLOBPIMSA-N 2 1 361.530 3.297 20 0 FGADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000178662357 496532871 /nfs/dbraw/zinc/53/28/71/496532871.db2.gz UHWZXYTYEQDNHX-ZOCIIQOWSA-N 2 1 359.901 3.395 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178699114 496544070 /nfs/dbraw/zinc/54/40/70/496544070.db2.gz GRHSQOAMIJNGDF-SJORKVTESA-N 2 1 367.497 3.491 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)c3csc(C[NH3+])n3)cc2)C1 ZINC000178697972 496544609 /nfs/dbraw/zinc/54/46/09/496544609.db2.gz FUANCRYFGMWWIL-HUUCEWRRSA-N 2 1 372.538 3.010 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000580841516 505850914 /nfs/dbraw/zinc/85/09/14/505850914.db2.gz RQJFPYIEQUROEB-WRWLIDTKSA-N 2 1 357.523 3.155 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3cc(Cl)ccc3n2C)C[C@H](C)O1 ZINC000178894961 496607698 /nfs/dbraw/zinc/60/76/98/496607698.db2.gz LNRKGHJMHOYUDZ-GASCZTMLSA-N 2 1 364.921 3.206 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2sccc2Br)C[C@H](C)O1 ZINC000185026366 496628334 /nfs/dbraw/zinc/62/83/34/496628334.db2.gz NNROJOIHYJGEQC-BETUJISGSA-N 2 1 361.349 3.490 20 0 FGADMP CC(C)[N@@H+](C[C@H](O)COc1cccc2ccccc21)CC1CC[NH2+]CC1 ZINC000178955734 496628729 /nfs/dbraw/zinc/62/87/29/496628729.db2.gz AGHLCJRZWQVKAU-FQEVSTJZSA-N 2 1 356.510 3.290 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000158193845 496647071 /nfs/dbraw/zinc/64/70/71/496647071.db2.gz ZAOOYBFBWIMFTH-BXXSPATCSA-N 2 1 350.506 3.090 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260657 496662913 /nfs/dbraw/zinc/66/29/13/496662913.db2.gz ZGSBATQOVPGBDV-IAGOWNOFSA-N 2 1 364.555 3.395 20 0 FGADMP COc1ccc([C@@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCCC2)cc1 ZINC000165969363 496674176 /nfs/dbraw/zinc/67/41/76/496674176.db2.gz FFEJLGMDGBTYBZ-TUNNFDKTSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969363 496674180 /nfs/dbraw/zinc/67/41/80/496674180.db2.gz FFEJLGMDGBTYBZ-TUNNFDKTSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccc([C@@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N2CCCCC2)cc1 ZINC000165969363 496674185 /nfs/dbraw/zinc/67/41/85/496674185.db2.gz FFEJLGMDGBTYBZ-TUNNFDKTSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000166168707 496678198 /nfs/dbraw/zinc/67/81/98/496678198.db2.gz BNRNUWXKVZSLDK-QEEYODRMSA-N 2 1 351.485 3.248 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC[NH2+]CC1 ZINC000168556640 496710560 /nfs/dbraw/zinc/71/05/60/496710560.db2.gz JAHSBJPLZVFUNX-UHFFFAOYSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000188195780 496714290 /nfs/dbraw/zinc/71/42/90/496714290.db2.gz YDANRJTYZKXVKF-MAUKXSAKSA-N 2 1 369.347 3.207 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(F)c1 ZINC000182257300 496721650 /nfs/dbraw/zinc/72/16/50/496721650.db2.gz XROAAMVOYQRXNZ-QAPCUYQASA-N 2 1 358.457 3.252 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997351 496747382 /nfs/dbraw/zinc/74/73/82/496747382.db2.gz KNYQOTRMZBPFNF-SBHAEUEKSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@H]2CC[NH+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997351 496747383 /nfs/dbraw/zinc/74/73/83/496747383.db2.gz KNYQOTRMZBPFNF-SBHAEUEKSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997351 496747384 /nfs/dbraw/zinc/74/73/84/496747384.db2.gz KNYQOTRMZBPFNF-SBHAEUEKSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)C1 ZINC000246997351 496747385 /nfs/dbraw/zinc/74/73/85/496747385.db2.gz KNYQOTRMZBPFNF-SBHAEUEKSA-N 2 1 358.574 3.392 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC(=O)Nc1ccccc1C ZINC000191425703 496758371 /nfs/dbraw/zinc/75/83/71/496758371.db2.gz LFBFAVXRGHNGSE-UHFFFAOYSA-N 2 1 374.573 3.062 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000247044792 496761805 /nfs/dbraw/zinc/76/18/05/496761805.db2.gz OLRWETGAKULMEI-IXDOHACOSA-N 2 1 350.503 3.244 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccc(F)cc2F)C2CC2)CC1 ZINC000191454199 496767562 /nfs/dbraw/zinc/76/75/62/496767562.db2.gz DNJGUOKFTADNIE-UHFFFAOYSA-N 2 1 351.485 3.345 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268765402 496779065 /nfs/dbraw/zinc/77/90/65/496779065.db2.gz PQHFYKKQDDZGIK-FXAWDEMLSA-N 2 1 359.514 3.250 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268765402 496779072 /nfs/dbraw/zinc/77/90/72/496779072.db2.gz PQHFYKKQDDZGIK-FXAWDEMLSA-N 2 1 359.514 3.250 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769706 496779906 /nfs/dbraw/zinc/77/99/06/496779906.db2.gz DNKZCIRMQAZSBA-FBBABVLZSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769706 496779912 /nfs/dbraw/zinc/77/99/12/496779912.db2.gz DNKZCIRMQAZSBA-FBBABVLZSA-N 2 1 354.494 3.371 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268773973 496781200 /nfs/dbraw/zinc/78/12/00/496781200.db2.gz MTZPEQHXXCIGDN-HMXCVIKNSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268773973 496781204 /nfs/dbraw/zinc/78/12/04/496781204.db2.gz MTZPEQHXXCIGDN-HMXCVIKNSA-N 2 1 365.525 3.088 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000247111216 496781537 /nfs/dbraw/zinc/78/15/37/496781537.db2.gz QPJLOZSZIMPIBT-OXJNMPFZSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H](C)C1 ZINC000247111216 496781540 /nfs/dbraw/zinc/78/15/40/496781540.db2.gz QPJLOZSZIMPIBT-OXJNMPFZSA-N 2 1 352.482 3.154 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779110 496782440 /nfs/dbraw/zinc/78/24/40/496782440.db2.gz OZXLWELXHALSFP-PWIZWCRZSA-N 2 1 354.498 3.277 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(OCc2nccn2C)cc1 ZINC000268779110 496782444 /nfs/dbraw/zinc/78/24/44/496782444.db2.gz OZXLWELXHALSFP-PWIZWCRZSA-N 2 1 354.498 3.277 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495198 496783042 /nfs/dbraw/zinc/78/30/42/496783042.db2.gz ZSRBVVGBLKQBJM-IBGZPJMESA-N 2 1 363.571 3.239 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(NC(N)=O)cc1 ZINC000268782515 496783733 /nfs/dbraw/zinc/78/37/33/496783733.db2.gz UNHOCCAWRWDCBU-JXFKEZNVSA-N 2 1 352.482 3.177 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793334 496787997 /nfs/dbraw/zinc/78/79/97/496787997.db2.gz NBNLKHDQMDGJEO-MJGOQNOKSA-N 2 1 369.484 3.198 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793334 496788001 /nfs/dbraw/zinc/78/80/01/496788001.db2.gz NBNLKHDQMDGJEO-MJGOQNOKSA-N 2 1 369.484 3.198 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000268793333 496788131 /nfs/dbraw/zinc/78/81/31/496788131.db2.gz NBNLKHDQMDGJEO-IEBWSBKVSA-N 2 1 369.484 3.198 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CCNC(=O)c2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000268793333 496788134 /nfs/dbraw/zinc/78/81/34/496788134.db2.gz NBNLKHDQMDGJEO-IEBWSBKVSA-N 2 1 369.484 3.198 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268795544 496788521 /nfs/dbraw/zinc/78/85/21/496788521.db2.gz HZNBJROCNLPNNV-UWJYYQICSA-N 2 1 351.494 3.046 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268795544 496788526 /nfs/dbraw/zinc/78/85/26/496788526.db2.gz HZNBJROCNLPNNV-UWJYYQICSA-N 2 1 351.494 3.046 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2ccnc2)cc1 ZINC000247145113 496791781 /nfs/dbraw/zinc/79/17/81/496791781.db2.gz WLXHGXISGTYKTE-CEXWTWQISA-N 2 1 356.514 3.412 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NCc1ccccc1C ZINC000191512129 496792416 /nfs/dbraw/zinc/79/24/16/496792416.db2.gz VWGYPSQLFDQFHS-GOSISDBHSA-N 2 1 356.514 3.171 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NCc1ccccc1C ZINC000191512129 496792421 /nfs/dbraw/zinc/79/24/21/496792421.db2.gz VWGYPSQLFDQFHS-GOSISDBHSA-N 2 1 356.514 3.171 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCS2 ZINC000191516285 496793259 /nfs/dbraw/zinc/79/32/59/496793259.db2.gz CFLKRSRXBGLMPT-BEFAXECRSA-N 2 1 362.539 3.323 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000247171114 496797656 /nfs/dbraw/zinc/79/76/56/496797656.db2.gz UQXPFHWQEXJQJQ-IAGOWNOFSA-N 2 1 367.559 3.363 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000268869761 496808943 /nfs/dbraw/zinc/80/89/43/496808943.db2.gz UWXVQOAVMASDLV-CQSZACIVSA-N 2 1 360.420 3.125 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c2cccs2)cc1 ZINC000578123137 505867592 /nfs/dbraw/zinc/86/75/92/505867592.db2.gz QRJFCIUVDDKKFI-UYAOXDASSA-N 2 1 371.550 3.240 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893103 496816271 /nfs/dbraw/zinc/81/62/71/496816271.db2.gz MBBPNXJSVCVSKW-WMLDXEAASA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000268893103 496816274 /nfs/dbraw/zinc/81/62/74/496816274.db2.gz MBBPNXJSVCVSKW-WMLDXEAASA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000268893103 496816278 /nfs/dbraw/zinc/81/62/78/496816278.db2.gz MBBPNXJSVCVSKW-WMLDXEAASA-N 2 1 365.905 3.093 20 0 FGADMP COc1cc(OC)c(OC)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247264663 496819376 /nfs/dbraw/zinc/81/93/76/496819376.db2.gz XTMLUBQDLQCXDU-MAUKXSAKSA-N 2 1 360.498 3.161 20 0 FGADMP Cc1ccc2nc(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)cn2c1 ZINC000268943129 496830698 /nfs/dbraw/zinc/83/06/98/496830698.db2.gz VUUKHBRBOWAHDR-KRWDZBQOSA-N 2 1 352.482 3.434 20 0 FGADMP CC(C)c1cccc2c1CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000191889658 496920603 /nfs/dbraw/zinc/92/06/03/496920603.db2.gz QCKFBORPPDQXPC-UHFFFAOYSA-N 2 1 357.542 3.157 20 0 FGADMP CC(C)c1cccc2c1CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000191889658 496920607 /nfs/dbraw/zinc/92/06/07/496920607.db2.gz QCKFBORPPDQXPC-UHFFFAOYSA-N 2 1 357.542 3.157 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247966795 496935046 /nfs/dbraw/zinc/93/50/46/496935046.db2.gz GXJUDMDAHQNMOX-VQIMIIECSA-N 2 1 355.482 3.136 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)o1 ZINC000247966795 496935052 /nfs/dbraw/zinc/93/50/52/496935052.db2.gz GXJUDMDAHQNMOX-VQIMIIECSA-N 2 1 355.482 3.136 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H]1c1ccccc1 ZINC000248035725 496945277 /nfs/dbraw/zinc/94/52/77/496945277.db2.gz LESCQYBXQRKXJK-SESVDKBCSA-N 2 1 355.526 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092345 497045574 /nfs/dbraw/zinc/04/55/74/497045574.db2.gz NATWBFYEUSQULC-QZTJIDSGSA-N 2 1 369.513 3.130 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cncc(Br)c1 ZINC000248624043 497061718 /nfs/dbraw/zinc/06/17/18/497061718.db2.gz OKIDPJBBCUQORG-RDTXWAMCSA-N 2 1 360.299 3.454 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248692184 497081275 /nfs/dbraw/zinc/08/12/75/497081275.db2.gz JPTCZYSPWOSGHW-ROUUACIJSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000248692184 497081279 /nfs/dbraw/zinc/08/12/79/497081279.db2.gz JPTCZYSPWOSGHW-ROUUACIJSA-N 2 1 366.937 3.068 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000248758943 497100804 /nfs/dbraw/zinc/10/08/04/497100804.db2.gz QFKSRINBYPDYKK-RTWAWAEBSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000248758943 497100805 /nfs/dbraw/zinc/10/08/05/497100805.db2.gz QFKSRINBYPDYKK-RTWAWAEBSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000248758943 497100807 /nfs/dbraw/zinc/10/08/07/497100807.db2.gz QFKSRINBYPDYKK-RTWAWAEBSA-N 2 1 369.553 3.279 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000192528673 497141011 /nfs/dbraw/zinc/14/10/11/497141011.db2.gz DJRUDMLDWULRNM-NQSCKRDGSA-N 2 1 351.494 3.030 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cc1 ZINC000278539108 497147746 /nfs/dbraw/zinc/14/77/46/497147746.db2.gz UULSCCHELWNWGY-LPHOPBHVSA-N 2 1 364.497 3.234 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000236829407 497153005 /nfs/dbraw/zinc/15/30/05/497153005.db2.gz FACSKFWZNBGWGY-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000236829407 497153008 /nfs/dbraw/zinc/15/30/08/497153008.db2.gz FACSKFWZNBGWGY-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2Br)C1 ZINC000274810821 497171428 /nfs/dbraw/zinc/17/14/28/497171428.db2.gz XUUSSMNOEGYYHC-HNNXBMFYSA-N 2 1 362.271 3.023 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2Br)C1 ZINC000274810821 497171431 /nfs/dbraw/zinc/17/14/31/497171431.db2.gz XUUSSMNOEGYYHC-HNNXBMFYSA-N 2 1 362.271 3.023 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000249377417 497195489 /nfs/dbraw/zinc/19/54/89/497195489.db2.gz YVTVJQATZMHCEW-LEWJYISDSA-N 2 1 351.494 3.243 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000237192907 497203023 /nfs/dbraw/zinc/20/30/23/497203023.db2.gz DRTLDVNCKVIPNS-JOCHJYFZSA-N 2 1 365.521 3.100 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237338381 497222348 /nfs/dbraw/zinc/22/23/48/497222348.db2.gz VRMCHCXFJAQNSI-KNQAVFIVSA-N 2 1 365.521 3.275 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000266014600 497232407 /nfs/dbraw/zinc/23/24/07/497232407.db2.gz UJSBQLHMCRVREE-NQIIRXRSSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237482744 497243179 /nfs/dbraw/zinc/24/31/79/497243179.db2.gz FDLZYWMVYUWYOJ-CSODHUTKSA-N 2 1 367.493 3.354 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237668308 497272972 /nfs/dbraw/zinc/27/29/72/497272972.db2.gz AMIZDJJPYRJJOY-LJQANCHMSA-N 2 1 357.542 3.079 20 0 FGADMP C[C@@H](C1CC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000251463670 497273354 /nfs/dbraw/zinc/27/33/54/497273354.db2.gz CYBDALPBYRHZEZ-HNAYVOBHSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@@H](C1CC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000251463670 497273356 /nfs/dbraw/zinc/27/33/56/497273356.db2.gz CYBDALPBYRHZEZ-HNAYVOBHSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237678975 497274978 /nfs/dbraw/zinc/27/49/78/497274978.db2.gz TUQBGEYCCATAHC-UWJYYQICSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ncc(Br)cc1F ZINC000278955911 497281150 /nfs/dbraw/zinc/28/11/50/497281150.db2.gz LUXNLZBIDLIGAN-QWRGUYRKSA-N 2 1 353.239 3.093 20 0 FGADMP CC(C)(O)C[NH+](Cc1ccc(C[N@H+](CC(C)(C)O)C2CC2)cc1)C1CC1 ZINC000189898228 497285777 /nfs/dbraw/zinc/28/57/77/497285777.db2.gz YITCHJXWISVNJM-UHFFFAOYSA-N 2 1 360.542 3.157 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000278993585 497295137 /nfs/dbraw/zinc/29/51/37/497295137.db2.gz QIUDNHCEGAYQBM-CHWSQXEVSA-N 2 1 351.397 3.406 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318288 /nfs/dbraw/zinc/31/82/88/497318288.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318290 /nfs/dbraw/zinc/31/82/90/497318290.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318292 /nfs/dbraw/zinc/31/82/92/497318292.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318295 /nfs/dbraw/zinc/31/82/95/497318295.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 2 1 373.585 3.234 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)[C@@H](C)C1 ZINC000252695969 497318298 /nfs/dbraw/zinc/31/82/98/497318298.db2.gz AZVFMPRMALJRAY-PABCKOPISA-N 2 1 373.585 3.234 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000237976293 497322082 /nfs/dbraw/zinc/32/20/82/497322082.db2.gz RVJGHGXITILJGS-OALUTQOASA-N 2 1 369.534 3.106 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000237976293 497322089 /nfs/dbraw/zinc/32/20/89/497322089.db2.gz RVJGHGXITILJGS-OALUTQOASA-N 2 1 369.534 3.106 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340165 /nfs/dbraw/zinc/34/01/65/497340165.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340170 /nfs/dbraw/zinc/34/01/70/497340170.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000190055704 497340176 /nfs/dbraw/zinc/34/01/76/497340176.db2.gz QMVNWTBWVSEIIW-HLIPFELVSA-N 2 1 351.535 3.050 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275634678 497389224 /nfs/dbraw/zinc/38/92/24/497389224.db2.gz SOFBXTPQUQGEQK-NRDMVMEKSA-N 2 1 368.525 3.376 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275634678 497389228 /nfs/dbraw/zinc/38/92/28/497389228.db2.gz SOFBXTPQUQGEQK-NRDMVMEKSA-N 2 1 368.525 3.376 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000245443521 497409864 /nfs/dbraw/zinc/40/98/64/497409864.db2.gz IVSCDGDWHBNLKB-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000245454470 497415475 /nfs/dbraw/zinc/41/54/75/497415475.db2.gz SAIYCMKDUDJYGW-UYAOXDASSA-N 2 1 373.566 3.438 20 0 FGADMP NC(=O)c1csc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261608271 497418483 /nfs/dbraw/zinc/41/84/83/497418483.db2.gz BOWOWINLIMKEIB-MRXNPFEDSA-N 2 1 361.536 3.053 20 0 FGADMP NC(=O)c1csc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000261608271 497418487 /nfs/dbraw/zinc/41/84/87/497418487.db2.gz BOWOWINLIMKEIB-MRXNPFEDSA-N 2 1 361.536 3.053 20 0 FGADMP C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261651675 497427542 /nfs/dbraw/zinc/42/75/42/497427542.db2.gz YIVBCEOZVSIFDL-AZUAARDMSA-N 2 1 357.542 3.313 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261758312 497446097 /nfs/dbraw/zinc/44/60/97/497446097.db2.gz FQUKMYIFAUHTDG-AZUAARDMSA-N 2 1 357.542 3.064 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n[nH]1 ZINC000275847376 497446076 /nfs/dbraw/zinc/44/60/76/497446076.db2.gz HRFMKZNVQJFCEL-RXVVDRJESA-N 2 1 367.541 3.330 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](Cc4ccccc4)[C@@H](C)C3)CC2)n[nH]1 ZINC000275847376 497446081 /nfs/dbraw/zinc/44/60/81/497446081.db2.gz HRFMKZNVQJFCEL-RXVVDRJESA-N 2 1 367.541 3.330 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271788175 497450722 /nfs/dbraw/zinc/45/07/22/497450722.db2.gz GBGUSHPXFQQGII-UHFFFAOYSA-N 2 1 369.303 3.208 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000581105214 505910111 /nfs/dbraw/zinc/91/01/11/505910111.db2.gz PRENYXAHFOVMCX-RBUKOAKNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000581105214 505910114 /nfs/dbraw/zinc/91/01/14/505910114.db2.gz PRENYXAHFOVMCX-RBUKOAKNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000581105214 505910116 /nfs/dbraw/zinc/91/01/16/505910116.db2.gz PRENYXAHFOVMCX-RBUKOAKNSA-N 2 1 360.546 3.021 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cc1 ZINC000261810183 497455145 /nfs/dbraw/zinc/45/51/45/497455145.db2.gz RMYLXBPIWRUSSO-FCHUYYIVSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000245590040 497468067 /nfs/dbraw/zinc/46/80/67/497468067.db2.gz AXPLSDPLZIVPIS-DBXWQHBBSA-N 2 1 372.557 3.336 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271851435 497469674 /nfs/dbraw/zinc/46/96/74/497469674.db2.gz TWUQOBQGJPYALC-UHFFFAOYSA-N 2 1 353.466 3.021 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000193762370 497472296 /nfs/dbraw/zinc/47/22/96/497472296.db2.gz QNUSPAGKPQBYDZ-IBGZPJMESA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271875090 497477349 /nfs/dbraw/zinc/47/73/49/497477349.db2.gz NYLYGDIWRCXBNY-ZDUSSCGKSA-N 2 1 355.404 3.274 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1cccs1 ZINC000245623161 497477511 /nfs/dbraw/zinc/47/75/11/497477511.db2.gz FRBGWIITSOFYPC-SCTDSRPQSA-N 2 1 372.538 3.095 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261951858 497481193 /nfs/dbraw/zinc/48/11/93/497481193.db2.gz GAKAXGXISDYRAS-HXUWFJFHSA-N 2 1 358.917 3.387 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261951858 497481199 /nfs/dbraw/zinc/48/11/99/497481199.db2.gz GAKAXGXISDYRAS-HXUWFJFHSA-N 2 1 358.917 3.387 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261984198 497488095 /nfs/dbraw/zinc/48/80/95/497488095.db2.gz JOPUTYPJEFOMNP-JOCHJYFZSA-N 2 1 368.525 3.499 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261984198 497488100 /nfs/dbraw/zinc/48/81/00/497488100.db2.gz JOPUTYPJEFOMNP-JOCHJYFZSA-N 2 1 368.525 3.499 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245714759 497513798 /nfs/dbraw/zinc/51/37/98/497513798.db2.gz NTWYLAXLAOPVTC-DKUWSORSSA-N 2 1 369.553 3.419 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000267314395 497523558 /nfs/dbraw/zinc/52/35/58/497523558.db2.gz CJTJLPGKZAUEFL-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000267314395 497523565 /nfs/dbraw/zinc/52/35/65/497523565.db2.gz CJTJLPGKZAUEFL-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000267314395 497523569 /nfs/dbraw/zinc/52/35/69/497523569.db2.gz CJTJLPGKZAUEFL-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP COc1ccccc1-c1ccc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000575060084 505912695 /nfs/dbraw/zinc/91/26/95/505912695.db2.gz WHIFIEQOTSTXFI-GOSISDBHSA-N 2 1 353.510 3.260 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)oc1C ZINC000194037557 497555289 /nfs/dbraw/zinc/55/52/89/497555289.db2.gz ORQHVDXJUVZNEF-YZGWKJHDSA-N 2 1 359.514 3.051 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@@H]1c1cccs1 ZINC000262447538 497557758 /nfs/dbraw/zinc/55/77/58/497557758.db2.gz VMJBUKNRWFTSIM-YNVMFWSZSA-N 2 1 361.555 3.027 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC000245884937 497560584 /nfs/dbraw/zinc/56/05/84/497560584.db2.gz ISBKHUHWDWPVJO-MJGOQNOKSA-N 2 1 357.542 3.054 20 0 FGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000279843336 497561244 /nfs/dbraw/zinc/56/12/44/497561244.db2.gz ZYIZFKDKBXDIJA-HRAATJIYSA-N 2 1 354.498 3.428 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223085 497568551 /nfs/dbraw/zinc/56/85/51/497568551.db2.gz AJHHZQPOIQGWAD-PIPMEXSNSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262671674 497595313 /nfs/dbraw/zinc/59/53/13/497595313.db2.gz OOVWUOZUNQHNRA-LQWHRVPQSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000262671674 497595317 /nfs/dbraw/zinc/59/53/17/497595317.db2.gz OOVWUOZUNQHNRA-LQWHRVPQSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262674869 497597267 /nfs/dbraw/zinc/59/72/67/497597267.db2.gz RJYKWPCILKESHN-FYKMYLNBSA-N 2 1 369.553 3.419 20 0 FGADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000246020359 497598898 /nfs/dbraw/zinc/59/88/98/497598898.db2.gz JZYYBVRUNYCNCT-KURKYZTESA-N 2 1 366.571 3.077 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000262681446 497599196 /nfs/dbraw/zinc/59/91/96/497599196.db2.gz XMSNDLVLWYYYKM-AMZGXZFVSA-N 2 1 369.553 3.455 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190785721 497602999 /nfs/dbraw/zinc/60/29/99/497602999.db2.gz JGIAWCCHFLHYHI-UHFFFAOYSA-N 2 1 353.260 3.272 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000268011170 497657901 /nfs/dbraw/zinc/65/79/01/497657901.db2.gz GUSDSNAJBTTYBV-SFHVURJKSA-N 2 1 357.523 3.377 20 0 FGADMP Clc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c(-n2cncn2)c1 ZINC000280136990 497660538 /nfs/dbraw/zinc/66/05/38/497660538.db2.gz DLROOKCWLHKDQO-UHFFFAOYSA-N 2 1 359.905 3.417 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246276138 497680663 /nfs/dbraw/zinc/68/06/63/497680663.db2.gz APNBHYNMCDBESV-CZTZKLFOSA-N 2 1 372.553 3.498 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246276138 497680667 /nfs/dbraw/zinc/68/06/67/497680667.db2.gz APNBHYNMCDBESV-CZTZKLFOSA-N 2 1 372.553 3.498 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@]12CCCO2 ZINC000272670682 497696737 /nfs/dbraw/zinc/69/67/37/497696737.db2.gz KKTQHGZBKLACHP-YPAWHYETSA-N 2 1 358.526 3.010 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341292 497700822 /nfs/dbraw/zinc/70/08/22/497700822.db2.gz DTAHULUFNHJSSE-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341292 497700826 /nfs/dbraw/zinc/70/08/26/497700826.db2.gz DTAHULUFNHJSSE-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341292 497700831 /nfs/dbraw/zinc/70/08/31/497700831.db2.gz DTAHULUFNHJSSE-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360701 497707606 /nfs/dbraw/zinc/70/76/06/497707606.db2.gz KTIBIDBFAHTEHW-GUDVDZBRSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360701 497707609 /nfs/dbraw/zinc/70/76/09/497707609.db2.gz KTIBIDBFAHTEHW-GUDVDZBRSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360701 497707614 /nfs/dbraw/zinc/70/76/14/497707614.db2.gz KTIBIDBFAHTEHW-GUDVDZBRSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2F)C1 ZINC000246360701 497707618 /nfs/dbraw/zinc/70/76/18/497707618.db2.gz KTIBIDBFAHTEHW-GUDVDZBRSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c2)C[C@@H](C)O1 ZINC000263145456 497716540 /nfs/dbraw/zinc/71/65/40/497716540.db2.gz CQXKJODTGLXXLP-DCTVWTRXSA-N 2 1 359.514 3.142 20 0 FGADMP Cc1cc(F)cc2[nH]c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc21 ZINC000569405475 505926469 /nfs/dbraw/zinc/92/64/69/505926469.db2.gz FQHJZHAEIXPDTR-UHFFFAOYSA-N 2 1 367.428 3.015 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000272854468 497745572 /nfs/dbraw/zinc/74/55/72/497745572.db2.gz IGQDMQSILKNYBH-LAUBAEHRSA-N 2 1 354.494 3.421 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC(F)(F)F)cc2)[C@H](C)C1 ZINC000246505035 497756001 /nfs/dbraw/zinc/75/60/01/497756001.db2.gz STVPRECLRXBPJN-HFTRVMKXSA-N 2 1 374.447 3.056 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000194756326 497760624 /nfs/dbraw/zinc/76/06/24/497760624.db2.gz QFKSRINBYPDYKK-LEWJYISDSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000194756326 497760627 /nfs/dbraw/zinc/76/06/27/497760627.db2.gz QFKSRINBYPDYKK-LEWJYISDSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000194756326 497760631 /nfs/dbraw/zinc/76/06/31/497760631.db2.gz QFKSRINBYPDYKK-LEWJYISDSA-N 2 1 369.553 3.279 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000277164254 497762057 /nfs/dbraw/zinc/76/20/57/497762057.db2.gz KJHVSTUVUAICGK-QGZVFWFLSA-N 2 1 372.513 3.044 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccccc1OC ZINC000277164254 497762059 /nfs/dbraw/zinc/76/20/59/497762059.db2.gz KJHVSTUVUAICGK-QGZVFWFLSA-N 2 1 372.513 3.044 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000246571371 497777663 /nfs/dbraw/zinc/77/76/63/497777663.db2.gz VAYAJJSSJCPREY-CZPGPXFGSA-N 2 1 369.553 3.180 20 0 FGADMP CC[C@H](NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000246591850 497783848 /nfs/dbraw/zinc/78/38/48/497783848.db2.gz FVEWMESERVZEFP-QGTPRVQTSA-N 2 1 351.922 3.322 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246823254 497814064 /nfs/dbraw/zinc/81/40/64/497814064.db2.gz CMJCKYBNVOAYPS-SFTDATJTSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246823254 497814065 /nfs/dbraw/zinc/81/40/65/497814065.db2.gz CMJCKYBNVOAYPS-SFTDATJTSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246823254 497814066 /nfs/dbraw/zinc/81/40/66/497814066.db2.gz CMJCKYBNVOAYPS-SFTDATJTSA-N 2 1 357.542 3.089 20 0 FGADMP c1cc(OCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000246869474 497817882 /nfs/dbraw/zinc/81/78/82/497817882.db2.gz PZBMAQYFHLXNEG-QFBILLFUSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000246869474 497817883 /nfs/dbraw/zinc/81/78/83/497817883.db2.gz PZBMAQYFHLXNEG-QFBILLFUSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCO2 ZINC000246869474 497817884 /nfs/dbraw/zinc/81/78/84/497817884.db2.gz PZBMAQYFHLXNEG-QFBILLFUSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCO2 ZINC000246869474 497817885 /nfs/dbraw/zinc/81/78/85/497817885.db2.gz PZBMAQYFHLXNEG-QFBILLFUSA-N 2 1 358.482 3.133 20 0 FGADMP C[C@H](C(=O)N1c2ccccc2C[C@@H]1C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246929371 497820675 /nfs/dbraw/zinc/82/06/75/497820675.db2.gz SYOKKSGXBONFID-DIJFTKHXSA-N 2 1 367.537 3.301 20 0 FGADMP O=C1[C@H](N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCCN1c1cccc(F)c1 ZINC000246937739 497821151 /nfs/dbraw/zinc/82/11/51/497821151.db2.gz UBFAQKSCZADJRS-TYCQWZJGSA-N 2 1 371.500 3.270 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(-c2ccco2)s1 ZINC000288587461 497838646 /nfs/dbraw/zinc/83/86/46/497838646.db2.gz OJELNRMQHJARMF-UHFFFAOYSA-N 2 1 372.494 3.418 20 0 FGADMP CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000364260244 497866096 /nfs/dbraw/zinc/86/60/96/497866096.db2.gz VCYXLQMPEWJSGX-APISQKPESA-N 2 1 355.526 3.158 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc1F ZINC000288701366 497873085 /nfs/dbraw/zinc/87/30/85/497873085.db2.gz YOHGSKAKJUDHMI-UHFFFAOYSA-N 2 1 361.461 3.240 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292093303 497874460 /nfs/dbraw/zinc/87/44/60/497874460.db2.gz HBWHEJJCDSPBOR-SUMWQHHRSA-N 2 1 355.404 3.060 20 0 FGADMP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000280824280 497912316 /nfs/dbraw/zinc/91/23/16/497912316.db2.gz KIBDGVZTYJZDEE-SFHVURJKSA-N 2 1 367.921 3.133 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC1 ZINC000364359441 497918630 /nfs/dbraw/zinc/91/86/30/497918630.db2.gz KETZYRWGWOFXHX-UHFFFAOYSA-N 2 1 366.465 3.477 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364362918 497921146 /nfs/dbraw/zinc/92/11/46/497921146.db2.gz QICZWYOUVPBKLL-FQEVSTJZSA-N 2 1 366.509 3.267 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364362918 497921152 /nfs/dbraw/zinc/92/11/52/497921152.db2.gz QICZWYOUVPBKLL-FQEVSTJZSA-N 2 1 366.509 3.267 20 0 FGADMP COCC[N@@H+](C)CC[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360913 505950273 /nfs/dbraw/zinc/95/02/73/505950273.db2.gz QWARBZLADXEMST-LAUBAEHRSA-N 2 1 369.509 3.146 20 0 FGADMP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000581320023 505960413 /nfs/dbraw/zinc/96/04/13/505960413.db2.gz QWJAXFYJIWFYHC-YLJYHZDGSA-N 2 1 357.542 3.174 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000572420582 505964937 /nfs/dbraw/zinc/96/49/37/505964937.db2.gz CZVHVEWUENMUJW-GOSISDBHSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1cc(OCC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)ccc1C(C)C ZINC000364556377 498021824 /nfs/dbraw/zinc/02/18/24/498021824.db2.gz JDALVNDTTAYOCY-HXUWFJFHSA-N 2 1 359.558 3.209 20 0 FGADMP Cc1cc(OCC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)ccc1C(C)C ZINC000364556377 498021828 /nfs/dbraw/zinc/02/18/28/498021828.db2.gz JDALVNDTTAYOCY-HXUWFJFHSA-N 2 1 359.558 3.209 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000364598421 498043127 /nfs/dbraw/zinc/04/31/27/498043127.db2.gz BKEYSGXZXWUBBH-HZPDHXFCSA-N 2 1 374.916 3.126 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000578584916 505973089 /nfs/dbraw/zinc/97/30/89/505973089.db2.gz JYOIWDLHRYOFOQ-QGZVFWFLSA-N 2 1 360.420 3.344 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000578584916 505973096 /nfs/dbraw/zinc/97/30/96/505973096.db2.gz JYOIWDLHRYOFOQ-QGZVFWFLSA-N 2 1 360.420 3.344 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000292584318 498069320 /nfs/dbraw/zinc/06/93/20/498069320.db2.gz JYJOUFHEMGVFGF-JOCHJYFZSA-N 2 1 370.541 3.275 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000364780767 498139367 /nfs/dbraw/zinc/13/93/67/498139367.db2.gz WSVGVPKFRRBBHL-PBEJRMEISA-N 2 1 350.510 3.143 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCc3c[nH+]c4n3CCCC4)ccc21 ZINC000575631591 505985975 /nfs/dbraw/zinc/98/59/75/505985975.db2.gz CJNVFEPDQZTGNX-GOSISDBHSA-N 2 1 353.470 3.090 20 0 FGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285619889 498149691 /nfs/dbraw/zinc/14/96/91/498149691.db2.gz WJFFJNJLBCJJDL-YIONKMFJSA-N 2 1 353.869 3.365 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285619889 498149684 /nfs/dbraw/zinc/14/96/84/498149684.db2.gz WJFFJNJLBCJJDL-YIONKMFJSA-N 2 1 353.869 3.365 20 0 FGADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285619889 498149698 /nfs/dbraw/zinc/14/96/98/498149698.db2.gz WJFFJNJLBCJJDL-YIONKMFJSA-N 2 1 353.869 3.365 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000364829666 498163194 /nfs/dbraw/zinc/16/31/94/498163194.db2.gz LJGQCSHCECDHOT-WIYYLYMNSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000569675636 505990443 /nfs/dbraw/zinc/99/04/43/505990443.db2.gz FUHDLLNKWXDJAF-HBFSDRIKSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000569705100 505998451 /nfs/dbraw/zinc/99/84/51/505998451.db2.gz GNZRXKRBKNAYDY-IAGOWNOFSA-N 2 1 359.514 3.160 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000569705100 505998452 /nfs/dbraw/zinc/99/84/52/505998452.db2.gz GNZRXKRBKNAYDY-IAGOWNOFSA-N 2 1 359.514 3.160 20 0 FGADMP CC(C)[C@H](C[NH2+]Cc1ccc(Sc2ccccn2)o1)N1CC[NH+](C)CC1 ZINC000293140574 498283785 /nfs/dbraw/zinc/28/37/85/498283785.db2.gz ZTFAMMQOQWAXTD-SFHVURJKSA-N 2 1 374.554 3.187 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000289775786 498287262 /nfs/dbraw/zinc/28/72/62/498287262.db2.gz ITPULBHHQBZHLP-UHFFFAOYSA-N 2 1 350.503 3.325 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000365082443 498288697 /nfs/dbraw/zinc/28/86/97/498288697.db2.gz LLHBOBTVUMVWPD-WFASDCNBSA-N 2 1 366.387 3.142 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000572607572 506010833 /nfs/dbraw/zinc/01/08/33/506010833.db2.gz BOGUGBIOVTYBHR-GOSISDBHSA-N 2 1 372.484 3.497 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000572607572 506010835 /nfs/dbraw/zinc/01/08/35/506010835.db2.gz BOGUGBIOVTYBHR-GOSISDBHSA-N 2 1 372.484 3.497 20 0 FGADMP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c2cccc(F)c2n1 ZINC000301874765 498306616 /nfs/dbraw/zinc/30/66/16/498306616.db2.gz YAKKJQFMNXICKG-JWTNVVGKSA-N 2 1 368.500 3.430 20 0 FGADMP Cc1cc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2cccc(F)c2n1 ZINC000301874765 498306621 /nfs/dbraw/zinc/30/66/21/498306621.db2.gz YAKKJQFMNXICKG-JWTNVVGKSA-N 2 1 368.500 3.430 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000569778648 506013296 /nfs/dbraw/zinc/01/32/96/506013296.db2.gz BZURHHUUPJAHDA-UHFFFAOYSA-N 2 1 371.569 3.406 20 0 FGADMP CC[NH+](CC)Cc1ccc(NC(=O)c2cc(C[NH+]3CCCC3)on2)cc1 ZINC000293213996 498308426 /nfs/dbraw/zinc/30/84/26/498308426.db2.gz JAWDDHQGIHGDDA-UHFFFAOYSA-N 2 1 356.470 3.365 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000297178010 498344902 /nfs/dbraw/zinc/34/49/02/498344902.db2.gz JNKQRFGFRJDRLT-BPIHKTFHSA-N 2 1 358.530 3.040 20 0 FGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572647140 506020090 /nfs/dbraw/zinc/02/00/90/506020090.db2.gz BUNCRJHGIPWDIR-GOSISDBHSA-N 2 1 357.523 3.156 20 0 FGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572647140 506020094 /nfs/dbraw/zinc/02/00/94/506020094.db2.gz BUNCRJHGIPWDIR-GOSISDBHSA-N 2 1 357.523 3.156 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCC[NH+]1CCCC1 ZINC000282007364 498354874 /nfs/dbraw/zinc/35/48/74/498354874.db2.gz VRYQNRRKISXXSS-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000581587770 506021691 /nfs/dbraw/zinc/02/16/91/506021691.db2.gz QYSWTWBPFKCMEN-KRWDZBQOSA-N 2 1 356.470 3.421 20 0 FGADMP [NH3+]CC1(CC(=O)NC[C@H](c2ccccc2)[N@@H+]2CCc3sccc3C2)CC1 ZINC000575865293 506021792 /nfs/dbraw/zinc/02/17/92/506021792.db2.gz WVZNYQPOVJZGBM-GOSISDBHSA-N 2 1 369.534 3.093 20 0 FGADMP [NH3+]CC1(CC(=O)NC[C@H](c2ccccc2)[N@H+]2CCc3sccc3C2)CC1 ZINC000575865293 506021795 /nfs/dbraw/zinc/02/17/95/506021795.db2.gz WVZNYQPOVJZGBM-GOSISDBHSA-N 2 1 369.534 3.093 20 0 FGADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000302054478 498386370 /nfs/dbraw/zinc/38/63/70/498386370.db2.gz QDSWIVLPLDWBQL-FQEVSTJZSA-N 2 1 366.509 3.024 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454369 498390371 /nfs/dbraw/zinc/39/03/71/498390371.db2.gz PRAOQOVVRBTMOI-SFHVURJKSA-N 2 1 365.521 3.487 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293454369 498390373 /nfs/dbraw/zinc/39/03/73/498390373.db2.gz PRAOQOVVRBTMOI-SFHVURJKSA-N 2 1 365.521 3.487 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c(OCc2cccnc2)c1 ZINC000578831300 506030433 /nfs/dbraw/zinc/03/04/33/506030433.db2.gz AMSNXWRXTMPTIT-QGZVFWFLSA-N 2 1 355.482 3.101 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(OCc2cccnc2)c1 ZINC000578831300 506030436 /nfs/dbraw/zinc/03/04/36/506030436.db2.gz AMSNXWRXTMPTIT-QGZVFWFLSA-N 2 1 355.482 3.101 20 0 FGADMP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000361946425 498443008 /nfs/dbraw/zinc/44/30/08/498443008.db2.gz XEFNHQIVWWFQLQ-LPHOPBHVSA-N 2 1 372.538 3.106 20 0 FGADMP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423755 498444006 /nfs/dbraw/zinc/44/40/06/498444006.db2.gz AEDSJPMHMROUJH-CTNGQTDRSA-N 2 1 373.460 3.024 20 0 FGADMP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423755 498444013 /nfs/dbraw/zinc/44/40/13/498444013.db2.gz AEDSJPMHMROUJH-CTNGQTDRSA-N 2 1 373.460 3.024 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293662720 498445656 /nfs/dbraw/zinc/44/56/56/498445656.db2.gz NYKDJCYSBUHXPC-IBGZPJMESA-N 2 1 359.905 3.147 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000290168027 498449952 /nfs/dbraw/zinc/44/99/52/498449952.db2.gz MMZRKWFWFZHOKK-OAHLLOKOSA-N 2 1 351.922 3.263 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000290168027 498449959 /nfs/dbraw/zinc/44/99/59/498449959.db2.gz MMZRKWFWFZHOKK-OAHLLOKOSA-N 2 1 351.922 3.263 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000290192134 498459163 /nfs/dbraw/zinc/45/91/63/498459163.db2.gz FZKXOLVUANPPJE-XLIONFOSSA-N 2 1 370.468 3.178 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000290253000 498483363 /nfs/dbraw/zinc/48/33/63/498483363.db2.gz KAEQSPLZZRABJC-QZTJIDSGSA-N 2 1 362.514 3.279 20 0 FGADMP COCCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000282473368 498526046 /nfs/dbraw/zinc/52/60/46/498526046.db2.gz WLXMWZQAJXOMHX-WOJBJXKFSA-N 2 1 352.494 3.120 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1ncc(C2OCCO2)s1 ZINC000290369260 498527277 /nfs/dbraw/zinc/52/72/77/498527277.db2.gz NGAJGWOGELXGFG-RDJZCZTQSA-N 2 1 373.522 3.189 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+]C3CC[NH+](C4CC4)CC3)cc2c(OC)c1 ZINC000297681122 498534333 /nfs/dbraw/zinc/53/43/33/498534333.db2.gz PEHDLIBXGPMYJU-UHFFFAOYSA-N 2 1 357.498 3.334 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000290397522 498537178 /nfs/dbraw/zinc/53/71/78/498537178.db2.gz SRQBBLJPFAEGAY-QZTJIDSGSA-N 2 1 368.481 3.089 20 0 FGADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000293956453 498543037 /nfs/dbraw/zinc/54/30/37/498543037.db2.gz CDEDXPFFTPGAHN-HXUWFJFHSA-N 2 1 357.473 3.142 20 0 FGADMP COc1ccc(NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000362851676 498567217 /nfs/dbraw/zinc/56/72/17/498567217.db2.gz ODRYIZGYLZMMDV-UHFFFAOYSA-N 2 1 374.529 3.013 20 0 FGADMP CCc1cccc(NC(=O)CN(C)C2CCN(c3ccccn3)CC2)c1 ZINC000365752136 498624938 /nfs/dbraw/zinc/62/49/38/498624938.db2.gz MKOJXSZJPJMJLN-UHFFFAOYSA-N 2 1 352.482 3.183 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000365873961 498681400 /nfs/dbraw/zinc/68/14/00/498681400.db2.gz FFUHDFYJBUMTAA-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H](CNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303517341 498684754 /nfs/dbraw/zinc/68/47/54/498684754.db2.gz YHEKQZDLFMMVSL-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000303685850 498705379 /nfs/dbraw/zinc/70/53/79/498705379.db2.gz ZWZNPVUYUCHEPI-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000303685850 498705384 /nfs/dbraw/zinc/70/53/84/498705384.db2.gz ZWZNPVUYUCHEPI-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000303685850 498705388 /nfs/dbraw/zinc/70/53/88/498705388.db2.gz ZWZNPVUYUCHEPI-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1)[N@@H+](C)Cc1ccccc1 ZINC000572895573 506077703 /nfs/dbraw/zinc/07/77/03/506077703.db2.gz DAFGBPXUGSBTBR-NHCUHLMSSA-N 2 1 371.500 3.455 20 0 FGADMP CCC1(CNC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000363318228 498759038 /nfs/dbraw/zinc/75/90/38/498759038.db2.gz MOXXYOHXPUNFDN-UHFFFAOYSA-N 2 1 364.578 3.062 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646349 498760481 /nfs/dbraw/zinc/76/04/81/498760481.db2.gz KELQXAPHWQXEOM-FGZHOGPDSA-N 2 1 368.521 3.155 20 0 FGADMP CO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1(C)C ZINC000294714152 498780993 /nfs/dbraw/zinc/78/09/93/498780993.db2.gz CAXOSLFKBLDQHJ-NRFANRHFSA-N 2 1 359.558 3.464 20 0 FGADMP NC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572959899 506092679 /nfs/dbraw/zinc/09/26/79/506092679.db2.gz HRPUHQLRTOMIHT-OAQYLSRUSA-N 2 1 363.505 3.115 20 0 FGADMP NC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572959899 506092685 /nfs/dbraw/zinc/09/26/85/506092685.db2.gz HRPUHQLRTOMIHT-OAQYLSRUSA-N 2 1 363.505 3.115 20 0 FGADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581932131 506092921 /nfs/dbraw/zinc/09/29/21/506092921.db2.gz KYYBOIXUQKUUAH-LJQANCHMSA-N 2 1 371.550 3.470 20 0 FGADMP [NH3+]Cc1ccc(CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cc1 ZINC000579126389 506099364 /nfs/dbraw/zinc/09/93/64/506099364.db2.gz HOPWFYPNFBUIQD-FYYLOGMGSA-N 2 1 363.505 3.064 20 0 FGADMP C[C@@H](CC[NH2+]C1CCC(CS(C)(=O)=O)CC1)[N@@H+](C)Cc1ccccc1 ZINC000294951335 498859648 /nfs/dbraw/zinc/85/96/48/498859648.db2.gz YMTNFAVOHOILAE-KKXNLOMOSA-N 2 1 366.571 3.090 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccc(Cl)c1 ZINC000366331374 498877321 /nfs/dbraw/zinc/87/73/21/498877321.db2.gz VREHVSDIWKFYJW-IEBWSBKVSA-N 2 1 357.885 3.222 20 0 FGADMP Cn1cncc1CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366373677 498898654 /nfs/dbraw/zinc/89/86/54/498898654.db2.gz NBZBCSBEUYZYMV-UZLBHIALSA-N 2 1 374.916 3.205 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000363673545 498936804 /nfs/dbraw/zinc/93/68/04/498936804.db2.gz PXTRQMBHXUTKIB-IXDOHACOSA-N 2 1 362.518 3.119 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)[C@H]1c1cccs1 ZINC000363734580 498965898 /nfs/dbraw/zinc/96/58/98/498965898.db2.gz UVSMUUAUDBWRPG-VYDXJSESSA-N 2 1 365.543 3.340 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(CN3CCOCC3)cc2)CC1 ZINC000573103669 506120162 /nfs/dbraw/zinc/12/01/62/506120162.db2.gz NXTQAWOWLCKMRQ-UHFFFAOYSA-N 3 1 359.558 3.071 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000573103669 506120167 /nfs/dbraw/zinc/12/01/67/506120167.db2.gz NXTQAWOWLCKMRQ-UHFFFAOYSA-N 3 1 359.558 3.071 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000573103669 506120172 /nfs/dbraw/zinc/12/01/72/506120172.db2.gz NXTQAWOWLCKMRQ-UHFFFAOYSA-N 3 1 359.558 3.071 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CCN(Cc2ccccc2)CC1 ZINC000295326602 498981106 /nfs/dbraw/zinc/98/11/06/498981106.db2.gz LRFVERYEEKDNOC-UHFFFAOYSA-N 2 1 365.477 3.114 20 0 FGADMP C[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)C1CCN(Cc2ccccc2)CC1 ZINC000295326602 498981112 /nfs/dbraw/zinc/98/11/12/498981112.db2.gz LRFVERYEEKDNOC-UHFFFAOYSA-N 2 1 365.477 3.114 20 0 FGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000366580855 498987380 /nfs/dbraw/zinc/98/73/80/498987380.db2.gz LWWQKTIFZHYJRE-WMZOPIPTSA-N 2 1 359.518 3.157 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(F)c1 ZINC000576291958 506123257 /nfs/dbraw/zinc/12/32/57/506123257.db2.gz XVAAOEVRCRFBJE-SFHVURJKSA-N 2 1 355.457 3.348 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCCCC1 ZINC000579237513 506126487 /nfs/dbraw/zinc/12/64/87/506126487.db2.gz QYFHAJPBQRSZRH-FQEVSTJZSA-N 2 1 355.526 3.176 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCCCC1 ZINC000579237513 506126491 /nfs/dbraw/zinc/12/64/91/506126491.db2.gz QYFHAJPBQRSZRH-FQEVSTJZSA-N 2 1 355.526 3.176 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579239717 506127784 /nfs/dbraw/zinc/12/77/84/506127784.db2.gz IWFFBLQHSJBLIV-KNPMLCFXSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000579239717 506127786 /nfs/dbraw/zinc/12/77/86/506127786.db2.gz IWFFBLQHSJBLIV-KNPMLCFXSA-N 2 1 355.404 3.092 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)NC23CCC3)CC1 ZINC000284067605 499042743 /nfs/dbraw/zinc/04/27/43/499042743.db2.gz MZMYHUSPXLMPHB-MHJFOBGBSA-N 2 1 355.526 3.221 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)c2)CCO1 ZINC000295545261 499048154 /nfs/dbraw/zinc/04/81/54/499048154.db2.gz WQDUETVLWBKARW-SFHVURJKSA-N 2 1 368.521 3.425 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(C(C)(C)O)cc3)c2)CCO1 ZINC000295545261 499048162 /nfs/dbraw/zinc/04/81/62/499048162.db2.gz WQDUETVLWBKARW-SFHVURJKSA-N 2 1 368.521 3.425 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000284234914 499074544 /nfs/dbraw/zinc/07/45/44/499074544.db2.gz DQYQHXAFPKVKBO-IBGZPJMESA-N 2 1 352.526 3.428 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000284234914 499074548 /nfs/dbraw/zinc/07/45/48/499074548.db2.gz DQYQHXAFPKVKBO-IBGZPJMESA-N 2 1 352.526 3.428 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000366795900 499076748 /nfs/dbraw/zinc/07/67/48/499076748.db2.gz PHIBJVJEWMYJCG-WOJBJXKFSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)cc1 ZINC000366795900 499076750 /nfs/dbraw/zinc/07/67/50/499076750.db2.gz PHIBJVJEWMYJCG-WOJBJXKFSA-N 2 1 355.457 3.063 20 0 FGADMP Clc1cccc(-c2nc(C[N@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)co2)c1 ZINC000333891147 499093693 /nfs/dbraw/zinc/09/36/93/499093693.db2.gz XCSBXBUDUBGUDD-MSOLQXFVSA-N 2 1 373.884 3.195 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284359297 499094653 /nfs/dbraw/zinc/09/46/53/499094653.db2.gz NOXKMKCXVSTRCW-LJQANCHMSA-N 2 1 362.477 3.319 20 0 FGADMP Cc1ccc(OCCC[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000367027596 499136042 /nfs/dbraw/zinc/13/60/42/499136042.db2.gz GGJOUXVTUNTGMU-UNMCSNQZSA-N 2 1 359.558 3.030 20 0 FGADMP CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000367183622 499159087 /nfs/dbraw/zinc/15/90/87/499159087.db2.gz CLCILKMBCWWUBM-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000367183622 499159089 /nfs/dbraw/zinc/15/90/89/499159089.db2.gz CLCILKMBCWWUBM-HXUWFJFHSA-N 2 1 372.557 3.023 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300509 499207341 /nfs/dbraw/zinc/20/73/41/499207341.db2.gz XBCHRKOGDIARNY-LEWJYISDSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+][C@@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300509 499207342 /nfs/dbraw/zinc/20/73/42/499207342.db2.gz XBCHRKOGDIARNY-LEWJYISDSA-N 2 1 358.526 3.216 20 0 FGADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@H]21 ZINC000367592827 499215805 /nfs/dbraw/zinc/21/58/05/499215805.db2.gz GWDGOQHNUYKWSF-PZJWPPBQSA-N 2 1 370.541 3.273 20 0 FGADMP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000367606564 499216994 /nfs/dbraw/zinc/21/69/94/499216994.db2.gz KIJZCBYFNOFLAM-JSRAGOMMSA-N 2 1 368.525 3.283 20 0 FGADMP c1n[nH]c2c1[C@@H]([NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000367615201 499218221 /nfs/dbraw/zinc/21/82/21/499218221.db2.gz KIILQNPRRMEPSX-NRFANRHFSA-N 2 1 368.525 3.448 20 0 FGADMP c1n[nH]c2c1[C@H]([NH2+]CCCOC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000367615202 499218380 /nfs/dbraw/zinc/21/83/80/499218380.db2.gz KIILQNPRRMEPSX-OAQYLSRUSA-N 2 1 368.525 3.448 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577674 499232917 /nfs/dbraw/zinc/23/29/17/499232917.db2.gz KZFMAIGHTJCCIF-UEVCKROQSA-N 3 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000370577674 499232918 /nfs/dbraw/zinc/23/29/18/499232918.db2.gz KZFMAIGHTJCCIF-UEVCKROQSA-N 2 1 371.569 3.261 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]3CCCO3)C[C@@H]1C)CCCO2 ZINC000370615486 499235568 /nfs/dbraw/zinc/23/55/68/499235568.db2.gz DRQNJLMWOHTSTI-RCVZYCBYSA-N 2 1 374.525 3.388 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]3CCCO3)C[C@@H]1C)CCCO2 ZINC000370615486 499235570 /nfs/dbraw/zinc/23/55/70/499235570.db2.gz DRQNJLMWOHTSTI-RCVZYCBYSA-N 2 1 374.525 3.388 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+]C1CC[NH+](CCc3ccc(F)cc3)CC1)C2 ZINC000370670945 499242513 /nfs/dbraw/zinc/24/25/13/499242513.db2.gz JVQZKIJTUHXEAT-OAQYLSRUSA-N 2 1 368.500 3.078 20 0 FGADMP [NH3+]CCCCCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370762771 499252153 /nfs/dbraw/zinc/25/21/53/499252153.db2.gz ASONGYJZZYRGJQ-JOCHJYFZSA-N 2 1 357.542 3.410 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)CC2)[nH+]1 ZINC000370766120 499252445 /nfs/dbraw/zinc/25/24/45/499252445.db2.gz JVCBLQHWGNXHLZ-UZLBHIALSA-N 2 1 352.482 3.129 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367995220 499253134 /nfs/dbraw/zinc/25/31/34/499253134.db2.gz YDTRPUACEGBEEW-RGCFKVTRSA-N 2 1 362.489 3.301 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367995220 499253135 /nfs/dbraw/zinc/25/31/35/499253135.db2.gz YDTRPUACEGBEEW-RGCFKVTRSA-N 2 1 362.489 3.301 20 0 FGADMP COCC[C@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC[NH2+]C1 ZINC000370782567 499254152 /nfs/dbraw/zinc/25/41/52/499254152.db2.gz UOINXDXHSKTZHZ-OAQYLSRUSA-N 2 1 370.497 3.010 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368018898 499255677 /nfs/dbraw/zinc/25/56/77/499255677.db2.gz KINIQWILMPKERE-DLVXIWMQSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368018898 499255679 /nfs/dbraw/zinc/25/56/79/499255679.db2.gz KINIQWILMPKERE-DLVXIWMQSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000368029496 499257072 /nfs/dbraw/zinc/25/70/72/499257072.db2.gz JMBZTSHDVZVCBK-WBVHZDCISA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368029496 499257074 /nfs/dbraw/zinc/25/70/74/499257074.db2.gz JMBZTSHDVZVCBK-WBVHZDCISA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000368042453 499258758 /nfs/dbraw/zinc/25/87/58/499258758.db2.gz LKMMFMPRAVQFCS-ZDWTUXFCSA-N 2 1 366.509 3.033 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000368042453 499258760 /nfs/dbraw/zinc/25/87/60/499258760.db2.gz LKMMFMPRAVQFCS-ZDWTUXFCSA-N 2 1 366.509 3.033 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000582124923 506139533 /nfs/dbraw/zinc/13/95/33/506139533.db2.gz YXOYTWZEAAMAFF-GOSISDBHSA-N 2 1 355.457 3.396 20 0 FGADMP Cc1cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)sc1C ZINC000371078632 499286884 /nfs/dbraw/zinc/28/68/84/499286884.db2.gz WDSRBMMHRHITEV-UHFFFAOYSA-N 2 1 363.571 3.291 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)/C=C/c3cccs3)CC2)CC1 ZINC000371088603 499287702 /nfs/dbraw/zinc/28/77/02/499287702.db2.gz DIYNZOBBLUQCSM-SNAWJCMRSA-N 2 1 361.555 3.074 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1C ZINC000368416329 499293791 /nfs/dbraw/zinc/29/37/91/499293791.db2.gz JKLVGPLZQXDQQZ-BTHPGYMESA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1C ZINC000368416329 499293793 /nfs/dbraw/zinc/29/37/93/499293793.db2.gz JKLVGPLZQXDQQZ-BTHPGYMESA-N 2 1 373.541 3.109 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000371241529 499301444 /nfs/dbraw/zinc/30/14/44/499301444.db2.gz CRXKSABLTPNTSY-SFHLNBCPSA-N 2 1 373.516 3.028 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3cccc(-n4ccnn4)c3)CC2)[nH+]c1 ZINC000368578056 499309502 /nfs/dbraw/zinc/30/95/02/499309502.db2.gz ZAYVDOAWEGEMCY-KRWDZBQOSA-N 2 1 362.481 3.290 20 0 FGADMP Cn1cc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(-c2cccs2)n1 ZINC000371427582 499325455 /nfs/dbraw/zinc/32/54/55/499325455.db2.gz XGTDDMWXDGMGTK-UHFFFAOYSA-N 2 1 374.554 3.224 20 0 FGADMP Cn1cc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(-c2cccs2)n1 ZINC000371427582 499325456 /nfs/dbraw/zinc/32/54/56/499325456.db2.gz XGTDDMWXDGMGTK-UHFFFAOYSA-N 2 1 374.554 3.224 20 0 FGADMP OC[C@H](C[C@H](O)c1ccccc1)[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000371451676 499328156 /nfs/dbraw/zinc/32/81/56/499328156.db2.gz SORKICLKGKKIHG-VXKWHMMOSA-N 2 1 360.542 3.105 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470750 499331009 /nfs/dbraw/zinc/33/10/09/499331009.db2.gz OETLRRPYUXJXEW-HSALFYBXSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371470750 499331011 /nfs/dbraw/zinc/33/10/11/499331011.db2.gz OETLRRPYUXJXEW-HSALFYBXSA-N 2 1 354.498 3.069 20 0 FGADMP COC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001769 499355756 /nfs/dbraw/zinc/35/57/56/499355756.db2.gz QQLLRFRACXLZNF-NHCUHLMSSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001769 499355757 /nfs/dbraw/zinc/35/57/57/499355757.db2.gz QQLLRFRACXLZNF-NHCUHLMSSA-N 2 1 358.526 3.169 20 0 FGADMP COC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCOCC1 ZINC000369001769 499355759 /nfs/dbraw/zinc/35/57/59/499355759.db2.gz QQLLRFRACXLZNF-NHCUHLMSSA-N 2 1 358.526 3.169 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369200005 499376661 /nfs/dbraw/zinc/37/66/61/499376661.db2.gz CHIXCMPFTAGIRJ-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066028 499395073 /nfs/dbraw/zinc/39/50/73/499395073.db2.gz VHSRFKBZAGFBCL-NJYVYQBISA-N 3 1 351.579 3.122 20 0 FGADMP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCC[NH+]1CCCCC1 ZINC000372066028 499395074 /nfs/dbraw/zinc/39/50/74/499395074.db2.gz VHSRFKBZAGFBCL-NJYVYQBISA-N 2 1 351.579 3.122 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372234035 499411518 /nfs/dbraw/zinc/41/15/18/499411518.db2.gz RLLRKHIHLLVKBI-DYVFJYSZSA-N 2 1 369.431 3.181 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000372234035 499411520 /nfs/dbraw/zinc/41/15/20/499411520.db2.gz RLLRKHIHLLVKBI-DYVFJYSZSA-N 2 1 369.431 3.181 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000369518766 499411577 /nfs/dbraw/zinc/41/15/77/499411577.db2.gz VOEXDCIGPAFFJK-SFHVURJKSA-N 2 1 361.534 3.229 20 0 FGADMP C[C@H]1CCCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000372319818 499420399 /nfs/dbraw/zinc/42/03/99/499420399.db2.gz INFCPXQSTHTAJX-SFHVURJKSA-N 2 1 364.578 3.014 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000372369302 499425566 /nfs/dbraw/zinc/42/55/66/499425566.db2.gz MFZBQRQQNDFNCP-QGZVFWFLSA-N 2 1 372.944 3.348 20 0 FGADMP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCCCn3cc[nH+]c3C)C2)c1 ZINC000372421095 499432540 /nfs/dbraw/zinc/43/25/40/499432540.db2.gz RBPKYAFCSRGAPD-SFHVURJKSA-N 2 1 372.513 3.200 20 0 FGADMP COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)CCCCn3cc[nH+]c3C)C2)c1 ZINC000372421095 499432541 /nfs/dbraw/zinc/43/25/41/499432541.db2.gz RBPKYAFCSRGAPD-SFHVURJKSA-N 2 1 372.513 3.200 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000369680668 499435350 /nfs/dbraw/zinc/43/53/50/499435350.db2.gz WEZSCSOIDQCBPW-HNNXBMFYSA-N 2 1 355.482 3.241 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)c1ccccc1 ZINC000369783241 499443030 /nfs/dbraw/zinc/44/30/30/499443030.db2.gz IKPXASUJPSWVQN-HXUWFJFHSA-N 2 1 354.498 3.438 20 0 FGADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CS1 ZINC000372980730 499445752 /nfs/dbraw/zinc/44/57/52/499445752.db2.gz PGZAYHCFIFPWDZ-UYAOXDASSA-N 3 1 353.620 3.302 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000373258202 499460242 /nfs/dbraw/zinc/46/02/42/499460242.db2.gz GXWKUNUEFUKZMX-MRXNPFEDSA-N 2 1 350.576 3.073 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373306499 499462661 /nfs/dbraw/zinc/46/26/61/499462661.db2.gz WRILCUNUEPWYIL-WMLDXEAASA-N 2 1 362.568 3.456 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@@H]1c1cccs1 ZINC000373306499 499462662 /nfs/dbraw/zinc/46/26/62/499462662.db2.gz WRILCUNUEPWYIL-WMLDXEAASA-N 2 1 362.568 3.456 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000373387951 499466795 /nfs/dbraw/zinc/46/67/95/499466795.db2.gz MMXBMWYJHWGKHA-OAHLLOKOSA-N 2 1 361.873 3.408 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000373387951 499466796 /nfs/dbraw/zinc/46/67/96/499466796.db2.gz MMXBMWYJHWGKHA-OAHLLOKOSA-N 2 1 361.873 3.408 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000375250380 499499223 /nfs/dbraw/zinc/49/92/23/499499223.db2.gz VSCOHGUYNGZYOS-YLJYHZDGSA-N 2 1 357.542 3.134 20 0 FGADMP CC(=O)N1CCCCC[C@H]1C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000378356882 499506575 /nfs/dbraw/zinc/50/65/75/499506575.db2.gz WYODOASEALEDIW-NRFANRHFSA-N 2 1 360.546 3.475 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc(Cl)cn3)CC2)CC1 ZINC000378490827 499523813 /nfs/dbraw/zinc/52/38/13/499523813.db2.gz RJHCKIRVICJSIF-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000378568163 499532631 /nfs/dbraw/zinc/53/26/31/499532631.db2.gz JPTBJWKXWJLKLR-DLBZAZTESA-N 2 1 359.514 3.127 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614913 499537737 /nfs/dbraw/zinc/53/77/37/499537737.db2.gz FQIYGMWCFFYTPK-QMKUDKLTSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1 ZINC000378614913 499537738 /nfs/dbraw/zinc/53/77/38/499537738.db2.gz FQIYGMWCFFYTPK-QMKUDKLTSA-N 2 1 359.514 3.185 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460987 499543469 /nfs/dbraw/zinc/54/34/69/499543469.db2.gz PDHDXLZUJRPUNR-LPHOPBHVSA-N 2 1 369.509 3.120 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382682100 499545715 /nfs/dbraw/zinc/54/57/15/499545715.db2.gz CMSNYDLVGQOQIB-HXUWFJFHSA-N 2 1 365.521 3.043 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838891 499560885 /nfs/dbraw/zinc/56/08/85/499560885.db2.gz KNUHOUVIZXLCOU-SFFUCWETSA-N 2 1 351.535 3.237 20 0 FGADMP COc1ccc(C2(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)CCOCC2)cc1 ZINC000375847437 499561683 /nfs/dbraw/zinc/56/16/83/499561683.db2.gz AZMVETFYQXEDHG-HBMCJLEFSA-N 2 1 358.526 3.206 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000410355892 499657255 /nfs/dbraw/zinc/65/72/55/499657255.db2.gz AGZHTSJZLAOOGU-QZTJIDSGSA-N 2 1 359.514 3.405 20 0 FGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2c1 ZINC000377246764 499673705 /nfs/dbraw/zinc/67/37/05/499673705.db2.gz WIYXZDRHLZFZMI-WZONZLPQSA-N 2 1 367.537 3.306 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1C[C@H](C)c2ccccc21 ZINC000377563687 499704825 /nfs/dbraw/zinc/70/48/25/499704825.db2.gz MBAAAKXXRCXACN-KKSFZXQISA-N 2 1 367.541 3.209 20 0 FGADMP C[N@H+](Cc1cnc(C2CCCC2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377629008 499712780 /nfs/dbraw/zinc/71/27/80/499712780.db2.gz OZAUGNIIYFKCBA-SFHVURJKSA-N 2 1 362.587 3.401 20 0 FGADMP C[N@@H+](Cc1cnc(C2CCCC2)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377629008 499712781 /nfs/dbraw/zinc/71/27/81/499712781.db2.gz OZAUGNIIYFKCBA-SFHVURJKSA-N 2 1 362.587 3.401 20 0 FGADMP COc1ccc(O)cc1[C@H](C)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377641338 499714016 /nfs/dbraw/zinc/71/40/16/499714016.db2.gz DHNNVGKPRODSNQ-FUHWJXTLSA-N 2 1 355.482 3.359 20 0 FGADMP COc1ccc(O)cc1[C@H](C)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000377641338 499714017 /nfs/dbraw/zinc/71/40/17/499714017.db2.gz DHNNVGKPRODSNQ-FUHWJXTLSA-N 2 1 355.482 3.359 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000377670911 499717837 /nfs/dbraw/zinc/71/78/37/499717837.db2.gz OQYCXKBMXTYADS-QZTJIDSGSA-N 2 1 350.869 3.409 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000377769200 499730942 /nfs/dbraw/zinc/73/09/42/499730942.db2.gz ATIDDVDBYNIXMJ-GOSISDBHSA-N 2 1 370.522 3.256 20 0 FGADMP Brc1ccc(-c2c[nH]c(C[NH2+][C@H]3CCc4[nH]cnc4C3)n2)cc1 ZINC000377770299 499731370 /nfs/dbraw/zinc/73/13/70/499731370.db2.gz BYRSBSPUJDVUEV-ZDUSSCGKSA-N 2 1 372.270 3.209 20 0 FGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000414189750 499767227 /nfs/dbraw/zinc/76/72/27/499767227.db2.gz RHKSWWOBDGIMEG-QZTJIDSGSA-N 2 1 356.514 3.382 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]Cc3cnc(N(C)C)n3C)cc2)C1 ZINC000414277316 499773572 /nfs/dbraw/zinc/77/35/72/499773572.db2.gz AZPVTAWMNGTMHB-HDICACEKSA-N 2 1 369.557 3.254 20 0 FGADMP OC[C@]1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOc2ccccc21 ZINC000411667340 499775233 /nfs/dbraw/zinc/77/52/33/499775233.db2.gz BMDLYAXTLABNIE-HSZRJFAPSA-N 2 1 366.505 3.432 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)c1ccc(F)cc1 ZINC000414313332 499776891 /nfs/dbraw/zinc/77/68/91/499776891.db2.gz OSXOQWPOIIIYTA-PIPMEXSNSA-N 2 1 356.485 3.402 20 0 FGADMP O[C@@H]1C[C@@H]([C@@H]2CCCOC2)[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411779483 499789951 /nfs/dbraw/zinc/78/99/51/499789951.db2.gz CVSNTKMZHRGPHT-VSKRKVRLSA-N 2 1 358.526 3.034 20 0 FGADMP OC1(C[NH2+]Cc2csc(C3CC3)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000414552011 499807256 /nfs/dbraw/zinc/80/72/56/499807256.db2.gz QONCMFSRKAZJOS-UHFFFAOYSA-N 2 1 357.523 3.137 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc3ccccc32)C1 ZINC000414683486 499820134 /nfs/dbraw/zinc/82/01/34/499820134.db2.gz BGUVHNFOSZTNLF-UTKZUKDTSA-N 2 1 351.494 3.174 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2CCCc2ccccc2)C1 ZINC000414714841 499822077 /nfs/dbraw/zinc/82/20/77/499822077.db2.gz VYWYIVUEWAKVJA-LEWJYISDSA-N 2 1 357.542 3.061 20 0 FGADMP COC(=O)[C@H]1CSCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000412090039 499822176 /nfs/dbraw/zinc/82/21/76/499822176.db2.gz XQDJSRSIZZRILH-LJQANCHMSA-N 2 1 362.539 3.011 20 0 FGADMP COCC[N@H+](Cc1sccc1Br)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414756902 499827135 /nfs/dbraw/zinc/82/71/35/499827135.db2.gz ROMBADMDLPHNOI-STQMWFEESA-N 2 1 361.349 3.347 20 0 FGADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772384 499829242 /nfs/dbraw/zinc/82/92/42/499829242.db2.gz BULTVGSSFRCAEK-VQTJNVASSA-N 2 1 351.494 3.482 20 0 FGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414855896 499838300 /nfs/dbraw/zinc/83/83/00/499838300.db2.gz XUXPBVKEKWLHFQ-WFASDCNBSA-N 2 1 356.308 3.129 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000414918784 499844495 /nfs/dbraw/zinc/84/44/95/499844495.db2.gz VFHDHSIRNRBXRY-HXUWFJFHSA-N 2 1 355.486 3.257 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414920342 499844615 /nfs/dbraw/zinc/84/46/15/499844615.db2.gz ZCLFETIFQYDKKO-OAQYLSRUSA-N 2 1 355.482 3.149 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414946702 499847589 /nfs/dbraw/zinc/84/75/89/499847589.db2.gz JWBIXJBBHKOGND-BBRMVZONSA-N 2 1 371.319 3.095 20 0 FGADMP CCOc1c(Br)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414948997 499847802 /nfs/dbraw/zinc/84/78/02/499847802.db2.gz ZGEOFGRMATYTSX-UHFFFAOYSA-N 2 1 357.292 3.088 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)CC[N@H+](C2CC2)C1 ZINC000412359801 499848720 /nfs/dbraw/zinc/84/87/20/499848720.db2.gz CVFXZLWLUDQNKJ-GOSISDBHSA-N 2 1 355.526 3.229 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[NH2+]CC3(C)C)c2)cc1 ZINC000414976032 499850741 /nfs/dbraw/zinc/85/07/41/499850741.db2.gz PKWCWIQFPJWERT-FQEVSTJZSA-N 2 1 367.493 3.425 20 0 FGADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(Br)c1OC ZINC000415061248 499859676 /nfs/dbraw/zinc/85/96/76/499859676.db2.gz ZTIQGBSPAXYALB-OAHLLOKOSA-N 2 1 371.319 3.464 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(F)c1 ZINC000412557780 499863242 /nfs/dbraw/zinc/86/32/42/499863242.db2.gz JLMUWKGIPPMDLF-FQEVSTJZSA-N 2 1 355.457 3.490 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c(F)c1 ZINC000412557780 499863243 /nfs/dbraw/zinc/86/32/43/499863243.db2.gz JLMUWKGIPPMDLF-FQEVSTJZSA-N 2 1 355.457 3.490 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)c(Br)c3)CC2)C1 ZINC000415121526 499866312 /nfs/dbraw/zinc/86/63/12/499866312.db2.gz IKSUITYZVQNPBV-WMLDXEAASA-N 2 1 371.294 3.307 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCc1cccnc1 ZINC000415122875 499866489 /nfs/dbraw/zinc/86/64/89/499866489.db2.gz IUXVHCIUWYJDKC-VQIMIIECSA-N 2 1 355.482 3.086 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(Br)cc3F)CC2)C1 ZINC000415128605 499867454 /nfs/dbraw/zinc/86/74/54/499867454.db2.gz SMNHMIGNKXZMHL-DOTOQJQBSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000415131625 499868154 /nfs/dbraw/zinc/86/81/54/499868154.db2.gz ZVPGGFSTPMOCSV-DYVFJYSZSA-N 2 1 371.294 3.307 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415914028 499927529 /nfs/dbraw/zinc/92/75/29/499927529.db2.gz UBTKEYWRHSUKQO-PXNSSMCTSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415915063 499928057 /nfs/dbraw/zinc/92/80/57/499928057.db2.gz XWXDYGCUVJBZMN-LJQANCHMSA-N 2 1 366.509 3.392 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415922064 499928776 /nfs/dbraw/zinc/92/87/76/499928776.db2.gz NGVOGBYXLAVUAC-PXNSSMCTSA-N 2 1 366.509 3.438 20 0 FGADMP CC[C@@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)[N@H+]1CCc2ccccc2C1 ZINC000415927395 499929481 /nfs/dbraw/zinc/92/94/81/499929481.db2.gz FOJFLLUVINMSKZ-NRFANRHFSA-N 2 1 366.509 3.364 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415939343 499931122 /nfs/dbraw/zinc/93/11/22/499931122.db2.gz QSSDEPNRLZKUGQ-UHFFFAOYSA-N 2 1 370.497 3.186 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415943776 499931473 /nfs/dbraw/zinc/93/14/73/499931473.db2.gz MZABMAJTFAVKPJ-UTKZUKDTSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000415950291 499932304 /nfs/dbraw/zinc/93/23/04/499932304.db2.gz HLTRDLBQOLDGGU-UHFFFAOYSA-N 2 1 355.486 3.016 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415968692 499935299 /nfs/dbraw/zinc/93/52/99/499935299.db2.gz XYUDGRVFTNEWFK-LJQANCHMSA-N 2 1 352.482 3.050 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415971256 499935521 /nfs/dbraw/zinc/93/55/21/499935521.db2.gz GFTHUBPQLCQQIX-OXJNMPFZSA-N 2 1 352.482 3.320 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[N@H+]1C ZINC000415974736 499935949 /nfs/dbraw/zinc/93/59/49/499935949.db2.gz SASZXYVMFRPRGL-NHYWBVRUSA-N 2 1 358.408 3.111 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417047787 499957424 /nfs/dbraw/zinc/95/74/24/499957424.db2.gz QXXJUJYCLUAIPK-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970217 499971292 /nfs/dbraw/zinc/97/12/92/499971292.db2.gz XSEBRIBWUWCXDT-GGPKGHCWSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417103364 499973399 /nfs/dbraw/zinc/97/33/99/499973399.db2.gz DAQCPBOGDGEBGV-DYESRHJHSA-N 2 1 366.509 3.170 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429026174 499986855 /nfs/dbraw/zinc/98/68/55/499986855.db2.gz CJUMKSNBPYXTTO-DENIHFKCSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000429026174 499986859 /nfs/dbraw/zinc/98/68/59/499986859.db2.gz CJUMKSNBPYXTTO-DENIHFKCSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429026174 499986863 /nfs/dbraw/zinc/98/68/63/499986863.db2.gz CJUMKSNBPYXTTO-DENIHFKCSA-N 2 1 360.542 3.060 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000429026174 499986867 /nfs/dbraw/zinc/98/68/67/499986867.db2.gz CJUMKSNBPYXTTO-DENIHFKCSA-N 2 1 360.542 3.060 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000417221441 500008811 /nfs/dbraw/zinc/00/88/11/500008811.db2.gz OTHMAJYCLAFPDE-UHFFFAOYSA-N 2 1 370.541 3.170 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1F ZINC000417280375 500027223 /nfs/dbraw/zinc/02/72/23/500027223.db2.gz OUDGLNWQNCAFKS-GOSISDBHSA-N 2 1 373.476 3.027 20 0 FGADMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000429364312 500060157 /nfs/dbraw/zinc/06/01/57/500060157.db2.gz QSGFHQSSGWZPTE-YFVAEKQCSA-N 2 1 357.542 3.495 20 0 FGADMP CC(C)C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)[NH2+][C@H](C)c1ccccc1 ZINC000429364311 500060415 /nfs/dbraw/zinc/06/04/15/500060415.db2.gz QSGFHQSSGWZPTE-QFUCXCTJSA-N 2 1 357.542 3.495 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000417399396 500061042 /nfs/dbraw/zinc/06/10/42/500061042.db2.gz ZMZFDIBFPWYAQZ-NMLBUPMWSA-N 2 1 363.496 3.359 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000416971578 500170591 /nfs/dbraw/zinc/17/05/91/500170591.db2.gz PVYVMTRAENYAPB-ROUUACIJSA-N 2 1 360.546 3.235 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000416970980 500170621 /nfs/dbraw/zinc/17/06/21/500170621.db2.gz ONEACTANZWEXRE-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000416973286 500171358 /nfs/dbraw/zinc/17/13/58/500171358.db2.gz JPUVRFIOSZNUKF-SFHVURJKSA-N 2 1 370.541 3.170 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416972863 500171593 /nfs/dbraw/zinc/17/15/93/500171593.db2.gz IUPTYJOIABUACO-UYAOXDASSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@@H](CCNC(=O)N(CC[NH3+])Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417823250 500179165 /nfs/dbraw/zinc/17/91/65/500179165.db2.gz YHQOZQNJWOHQEX-IBGZPJMESA-N 2 1 368.525 3.068 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000417852343 500184433 /nfs/dbraw/zinc/18/44/33/500184433.db2.gz HAYZZFOGIJDYSB-YJBOKZPZSA-N 2 1 355.486 3.073 20 0 FGADMP CCCN(C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC[NH2+]CC1 ZINC000417856223 500185030 /nfs/dbraw/zinc/18/50/30/500185030.db2.gz MLKHLCQNDZSVJD-INIZCTEOSA-N 2 1 369.513 3.415 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000417023737 500186531 /nfs/dbraw/zinc/18/65/31/500186531.db2.gz WJFKWHAWCANJGJ-UYAOXDASSA-N 2 1 364.578 3.205 20 0 FGADMP COc1ccccc1-c1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000430075898 500189072 /nfs/dbraw/zinc/18/90/72/500189072.db2.gz COQVXMYFLQDSDV-UHFFFAOYSA-N 2 1 351.454 3.179 20 0 FGADMP COc1ccccc1-c1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000430075898 500189074 /nfs/dbraw/zinc/18/90/74/500189074.db2.gz COQVXMYFLQDSDV-UHFFFAOYSA-N 2 1 351.454 3.179 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000417874488 500189233 /nfs/dbraw/zinc/18/92/33/500189233.db2.gz KLRLDQJJBLNAEG-YLJYHZDGSA-N 2 1 360.546 3.187 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000417887878 500192389 /nfs/dbraw/zinc/19/23/89/500192389.db2.gz WYIOMHMCXKBMCD-JOCHJYFZSA-N 2 1 372.557 3.204 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000430128660 500197028 /nfs/dbraw/zinc/19/70/28/500197028.db2.gz YTSZJOIISIJGEJ-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)o2)cc1 ZINC000430128660 500197029 /nfs/dbraw/zinc/19/70/29/500197029.db2.gz YTSZJOIISIJGEJ-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000430128660 500197031 /nfs/dbraw/zinc/19/70/31/500197031.db2.gz YTSZJOIISIJGEJ-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)o2)cc1 ZINC000430128660 500197033 /nfs/dbraw/zinc/19/70/33/500197033.db2.gz YTSZJOIISIJGEJ-NRFANRHFSA-N 2 1 354.450 3.261 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000417933066 500199808 /nfs/dbraw/zinc/19/98/08/500199808.db2.gz XEVCJBKWVUIJKC-GIVPXCGWSA-N 2 1 372.557 3.119 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417932030 500199846 /nfs/dbraw/zinc/19/98/46/500199846.db2.gz WKYCTSXIYRBYBB-HZEGPAAWSA-N 2 1 372.557 3.104 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000417934952 500200590 /nfs/dbraw/zinc/20/05/90/500200590.db2.gz PLXOSMNWVJEJQN-KZNAEPCWSA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000417934952 500200591 /nfs/dbraw/zinc/20/05/91/500200591.db2.gz PLXOSMNWVJEJQN-KZNAEPCWSA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418009729 500213668 /nfs/dbraw/zinc/21/36/68/500213668.db2.gz SCTZEHJKSQLGIK-NQERCMRGSA-N 2 1 370.900 3.038 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418009729 500213669 /nfs/dbraw/zinc/21/36/69/500213669.db2.gz SCTZEHJKSQLGIK-NQERCMRGSA-N 2 1 370.900 3.038 20 0 FGADMP CCOc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000425944683 500214886 /nfs/dbraw/zinc/21/48/86/500214886.db2.gz NYIMNICZPGAHON-JOCHJYFZSA-N 2 1 354.494 3.154 20 0 FGADMP CCOc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000425944683 500214890 /nfs/dbraw/zinc/21/48/90/500214890.db2.gz NYIMNICZPGAHON-JOCHJYFZSA-N 2 1 354.494 3.154 20 0 FGADMP CCOc1ccc(C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC000425944683 500214892 /nfs/dbraw/zinc/21/48/92/500214892.db2.gz NYIMNICZPGAHON-JOCHJYFZSA-N 2 1 354.494 3.154 20 0 FGADMP CCn1nncc1C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000418075613 500226227 /nfs/dbraw/zinc/22/62/27/500226227.db2.gz HJWRAFHDXZSNLT-NRFANRHFSA-N 2 1 367.541 3.421 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579474974 506183573 /nfs/dbraw/zinc/18/35/73/506183573.db2.gz YXUJUPXUNIRJDY-IAOVAPTHSA-N 2 1 370.324 3.011 20 0 FGADMP C[N@@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430561362 500254850 /nfs/dbraw/zinc/25/48/50/500254850.db2.gz KPCJJEBJQJKLIY-UHFFFAOYSA-N 2 1 353.510 3.199 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H](Cc2ccc(F)cc2)[C@H]2COc3ccccc3O2)CC1 ZINC000426305049 500258814 /nfs/dbraw/zinc/25/88/14/500258814.db2.gz BEWHVSSSDAMYOH-SIKLNZKXSA-N 2 1 370.468 3.261 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000430609053 500261744 /nfs/dbraw/zinc/26/17/44/500261744.db2.gz GIXYIUCIFGBOMX-QGZVFWFLSA-N 2 1 353.466 3.478 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1)CC1CC1 ZINC000418322527 500261953 /nfs/dbraw/zinc/26/19/53/500261953.db2.gz SVOKZKBURNOSPV-UHFFFAOYSA-N 2 1 364.578 3.192 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418352017 500267179 /nfs/dbraw/zinc/26/71/79/500267179.db2.gz MBNMBNHGHBJAIF-YLJYHZDGSA-N 2 1 360.546 3.183 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418356044 500267793 /nfs/dbraw/zinc/26/77/93/500267793.db2.gz XLAWVEADUYSERN-AZUAARDMSA-N 2 1 364.578 3.062 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1)CC1CC1 ZINC000418407029 500272761 /nfs/dbraw/zinc/27/27/61/500272761.db2.gz FPBDPAFXEJOPAX-VQTJNVASSA-N 2 1 364.578 3.048 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NC(C)(C)CC[NH3+])C1CCCCC1 ZINC000422597065 500280325 /nfs/dbraw/zinc/28/03/25/500280325.db2.gz JAVQOJPFYFRTEL-UHFFFAOYSA-N 2 1 360.546 3.378 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418486908 500282569 /nfs/dbraw/zinc/28/25/69/500282569.db2.gz IZTWWVLFJWBPCD-INIZCTEOSA-N 2 1 368.481 3.163 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418488873 500282578 /nfs/dbraw/zinc/28/25/78/500282578.db2.gz KYIREYFDWVHAGK-DYESRHJHSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000430789673 500285428 /nfs/dbraw/zinc/28/54/28/500285428.db2.gz WGPREPPDZQWSJG-NRVIKUFQSA-N 2 1 371.525 3.155 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)c2)C[C@H](C)O1 ZINC000430789673 500285431 /nfs/dbraw/zinc/28/54/31/500285431.db2.gz WGPREPPDZQWSJG-NRVIKUFQSA-N 2 1 371.525 3.155 20 0 FGADMP [NH3+]C1(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CCCCC1 ZINC000422703905 500287817 /nfs/dbraw/zinc/28/78/17/500287817.db2.gz JFSJZCAWMSYLNJ-KRWDZBQOSA-N 2 1 358.530 3.271 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418550149 500290631 /nfs/dbraw/zinc/29/06/31/500290631.db2.gz TUSBAQNTXQMWRW-SYYKKAFVSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c[nH+]ccc1N ZINC000422738023 500292125 /nfs/dbraw/zinc/29/21/25/500292125.db2.gz YGVNCOHZPPAEHC-CHWSQXEVSA-N 2 1 366.387 3.322 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c[nH+]ccc1N ZINC000422738024 500292242 /nfs/dbraw/zinc/29/22/42/500292242.db2.gz YGVNCOHZPPAEHC-OLZOCXBDSA-N 2 1 366.387 3.322 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)cc1 ZINC000422782881 500297145 /nfs/dbraw/zinc/29/71/45/500297145.db2.gz NPLBVCGITZWQHM-INIZCTEOSA-N 3 1 354.498 3.066 20 0 FGADMP CCc1ccc([C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422790488 500298202 /nfs/dbraw/zinc/29/82/02/500298202.db2.gz CCAPNKWEQIOFEL-ZOCZFRKYSA-N 2 1 374.550 3.457 20 0 FGADMP OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422840511 500304052 /nfs/dbraw/zinc/30/40/52/500304052.db2.gz TVVPSJYUUIVKGU-DNVJHFABSA-N 2 1 371.569 3.044 20 0 FGADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1([NH+]2CCSCC2)CCCC1 ZINC000422853915 500305885 /nfs/dbraw/zinc/30/58/85/500305885.db2.gz ZLJAAJVEMZXKAV-OTWHNJEPSA-N 2 1 351.604 3.248 20 0 FGADMP C[NH2+]C1CC[NH+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC1 ZINC000430924150 500307763 /nfs/dbraw/zinc/30/77/63/500307763.db2.gz HQJWPPHAPXFTRE-FQEVSTJZSA-N 2 1 357.523 3.028 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000430924801 500307781 /nfs/dbraw/zinc/30/77/81/500307781.db2.gz JOBYCVKQWRLZGF-WIYYLYMNSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418689070 500308756 /nfs/dbraw/zinc/30/87/56/500308756.db2.gz UPNAKMGZXIRSNP-VAMGGRTRSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2ccc(Br)cc2)CC1 ZINC000422891658 500311692 /nfs/dbraw/zinc/31/16/92/500311692.db2.gz LGIHPAHGCFCZDJ-KDOFPFPSSA-N 2 1 366.347 3.001 20 0 FGADMP C[C@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH+]ccc1N ZINC000422927261 500317553 /nfs/dbraw/zinc/31/75/53/500317553.db2.gz YNEAEQNLKQGVIY-VIFPVBQESA-N 2 1 360.767 3.291 20 0 FGADMP CC(C)C[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)Nc1nccs1 ZINC000423015645 500330962 /nfs/dbraw/zinc/33/09/62/500330962.db2.gz LBZXEZIYYYVVOZ-XHSDSOJGSA-N 2 1 352.548 3.397 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423036791 500333638 /nfs/dbraw/zinc/33/36/38/500333638.db2.gz UUQWOMIHEJSJMC-QIJUGHKUSA-N 3 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423036791 500333642 /nfs/dbraw/zinc/33/36/42/500333642.db2.gz UUQWOMIHEJSJMC-QIJUGHKUSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000423036791 500333645 /nfs/dbraw/zinc/33/36/45/500333645.db2.gz UUQWOMIHEJSJMC-QIJUGHKUSA-N 2 1 359.558 3.044 20 0 FGADMP Fc1ccc(C2CC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1Cl ZINC000423093922 500341220 /nfs/dbraw/zinc/34/12/20/500341220.db2.gz AOWORJLWFLONBO-YRIPVTTJSA-N 2 1 352.881 3.472 20 0 FGADMP CN(C)C[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccc(F)cc1 ZINC000423103280 500342589 /nfs/dbraw/zinc/34/25/89/500342589.db2.gz GFKIXWHBBKLYJG-JAXLGGSGSA-N 2 1 369.484 3.274 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144505 500348046 /nfs/dbraw/zinc/34/80/46/500348046.db2.gz HGPIPTOWTZLDOS-RCZSKKKRSA-N 2 1 357.542 3.342 20 0 FGADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423169268 500350659 /nfs/dbraw/zinc/35/06/59/500350659.db2.gz IUBKERBGFDFPMD-KZNAEPCWSA-N 2 1 370.946 3.144 20 0 FGADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423188083 500353535 /nfs/dbraw/zinc/35/35/35/500353535.db2.gz QDQLTOZFKFUEMG-USXIJHARSA-N 2 1 353.304 3.004 20 0 FGADMP C[C@H]1[C@@H](C)[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1C ZINC000419374930 500358710 /nfs/dbraw/zinc/35/87/10/500358710.db2.gz QOWFLKQEJDWEPV-BRWVUGGUSA-N 2 1 361.555 3.150 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423316166 500363342 /nfs/dbraw/zinc/36/33/42/500363342.db2.gz YBJWQNZDYCQMRK-PGCKRBSRSA-N 3 1 353.554 3.393 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423397899 500370158 /nfs/dbraw/zinc/37/01/58/500370158.db2.gz CJMPTKGWPROVLY-BHDDXSALSA-N 3 1 371.569 3.035 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423397899 500370161 /nfs/dbraw/zinc/37/01/61/500370161.db2.gz CJMPTKGWPROVLY-BHDDXSALSA-N 2 1 371.569 3.035 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000423404992 500371194 /nfs/dbraw/zinc/37/11/94/500371194.db2.gz YOWWNYQBOZVJFZ-MISYRCLQSA-N 2 1 357.542 3.276 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423429208 500374304 /nfs/dbraw/zinc/37/43/04/500374304.db2.gz JZSKOYXEPWXYMK-WOJBJXKFSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427277639 500376808 /nfs/dbraw/zinc/37/68/08/500376808.db2.gz YNXHYJFCEGMIJQ-RTBURBONSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)C1 ZINC000427275918 500376947 /nfs/dbraw/zinc/37/69/47/500376947.db2.gz VEEMTODHOQMPIP-ZWKOTPCHSA-N 2 1 359.514 3.126 20 0 FGADMP O=C(C[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000427280798 500377458 /nfs/dbraw/zinc/37/74/58/500377458.db2.gz LVDYYSNAEOROLM-ZDUSSCGKSA-N 2 1 370.324 3.074 20 0 FGADMP CCc1ccccc1[C@H](N)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495352 500379528 /nfs/dbraw/zinc/37/95/28/500379528.db2.gz BWRQLUAMIUBLIX-RZUBCFFCSA-N 2 1 351.494 3.094 20 0 FGADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Br)cs1 ZINC000423511288 500380186 /nfs/dbraw/zinc/38/01/86/500380186.db2.gz ONQSRMKKJMBPJN-GRTSSRMGSA-N 2 1 372.376 3.378 20 0 FGADMP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000423518364 500381891 /nfs/dbraw/zinc/38/18/91/500381891.db2.gz ZQANLUVHMVCQEZ-OSIBBQKWSA-N 2 1 356.558 3.222 20 0 FGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423519371 500381905 /nfs/dbraw/zinc/38/19/05/500381905.db2.gz PSDSQBNXWPKPNO-GRERDSQWSA-N 2 1 357.542 3.323 20 0 FGADMP COc1cccc([C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558248 500391597 /nfs/dbraw/zinc/39/15/97/500391597.db2.gz RKAXBOZSVONRCM-LEWJYISDSA-N 2 1 373.541 3.211 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[C@H](C)[NH3+] ZINC000423810715 500404364 /nfs/dbraw/zinc/40/43/64/500404364.db2.gz BDCPRVHUQVCTLA-CSBKYJRVSA-N 2 1 369.912 3.208 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000423821695 500406874 /nfs/dbraw/zinc/40/68/74/500406874.db2.gz HZWJMGMYQXJGLA-KTURWCBASA-N 2 1 361.917 3.122 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)cc1 ZINC000423821695 500406877 /nfs/dbraw/zinc/40/68/77/500406877.db2.gz HZWJMGMYQXJGLA-KTURWCBASA-N 2 1 361.917 3.122 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423857454 500413116 /nfs/dbraw/zinc/41/31/16/500413116.db2.gz XUOXRUAWSXKWPX-VQTJNVASSA-N 2 1 355.526 3.019 20 0 FGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000427697108 500421654 /nfs/dbraw/zinc/42/16/54/500421654.db2.gz MFFGWABRSQLTBN-SJLPKXTDSA-N 2 1 361.555 3.017 20 0 FGADMP CC(C)[C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)[NH+]1CCCCC1 ZINC000423942236 500421946 /nfs/dbraw/zinc/42/19/46/500421946.db2.gz DRXHBROQWMJAOO-MRXNPFEDSA-N 2 1 350.532 3.059 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N(C)C3CC[NH2+]CC3)c2c1C ZINC000420140425 500422161 /nfs/dbraw/zinc/42/21/61/500422161.db2.gz QAFFOFSCWWMUFR-UHFFFAOYSA-N 2 1 359.543 3.092 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)NCC1CCCC1 ZINC000431786019 500425051 /nfs/dbraw/zinc/42/50/51/500425051.db2.gz RLSZQQYCRBKXML-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000420261126 500430088 /nfs/dbraw/zinc/43/00/88/500430088.db2.gz OUTIBERYFYIXBX-HZPDHXFCSA-N 2 1 353.466 3.074 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2Cc2ccccc2OC)cc1 ZINC000420313310 500439646 /nfs/dbraw/zinc/43/96/46/500439646.db2.gz XXSOXRVPMIDUAK-UXHICEINSA-N 2 1 354.494 3.453 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420324624 500441936 /nfs/dbraw/zinc/44/19/36/500441936.db2.gz HLAUOAOGWDZMQS-BRSBDYLESA-N 2 1 361.555 3.122 20 0 FGADMP C[N@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1(C[NH3+])CCC1 ZINC000420335553 500444253 /nfs/dbraw/zinc/44/42/53/500444253.db2.gz VFPXPADVASCBNV-IBGZPJMESA-N 2 1 357.523 3.157 20 0 FGADMP C[N@@H+](CCC(=O)N[C@H](c1cccs1)c1ccccc1)C1(C[NH3+])CCC1 ZINC000420335553 500444255 /nfs/dbraw/zinc/44/42/55/500444255.db2.gz VFPXPADVASCBNV-IBGZPJMESA-N 2 1 357.523 3.157 20 0 FGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000420368312 500449399 /nfs/dbraw/zinc/44/93/99/500449399.db2.gz NNOIRFWEPBEKBN-INIZCTEOSA-N 2 1 368.319 3.275 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000420375263 500449913 /nfs/dbraw/zinc/44/99/13/500449913.db2.gz PARYXNNPWQITPP-GFCCVEGCSA-N 2 1 354.376 3.272 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)n1 ZINC000420375263 500449916 /nfs/dbraw/zinc/44/99/16/500449916.db2.gz PARYXNNPWQITPP-GFCCVEGCSA-N 2 1 354.376 3.272 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000420379917 500451693 /nfs/dbraw/zinc/45/16/93/500451693.db2.gz BOKVQWIGHCLFSO-CEWLAPEOSA-N 2 1 355.526 3.034 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407852 500456896 /nfs/dbraw/zinc/45/68/96/500456896.db2.gz VOZMQQDRIQUFPM-NHCUHLMSSA-N 2 1 357.542 3.198 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407852 500456899 /nfs/dbraw/zinc/45/68/99/500456899.db2.gz VOZMQQDRIQUFPM-NHCUHLMSSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004230 500457457 /nfs/dbraw/zinc/45/74/57/500457457.db2.gz FTPZPVHZDVGCQH-LPHOPBHVSA-N 2 1 363.521 3.273 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004230 500457458 /nfs/dbraw/zinc/45/74/58/500457458.db2.gz FTPZPVHZDVGCQH-LPHOPBHVSA-N 2 1 363.521 3.273 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000573468774 506200581 /nfs/dbraw/zinc/20/05/81/506200581.db2.gz QUHSSQHLHBFNEX-LBPRGKRZSA-N 2 1 370.324 3.387 20 0 FGADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000424158224 500461786 /nfs/dbraw/zinc/46/17/86/500461786.db2.gz QXSPIHSQWLTDLD-HDICACEKSA-N 2 1 356.514 3.363 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288087 500481522 /nfs/dbraw/zinc/48/15/22/500481522.db2.gz KCTRYLXNUUNCGL-QZTJIDSGSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@@H](c1cccs1)C(C)(C)C)CC[NH2+]CC2 ZINC000424288631 500481589 /nfs/dbraw/zinc/48/15/89/500481589.db2.gz KUTHLVIMBUGDRL-YJBOKZPZSA-N 2 1 363.571 3.416 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295861 500482287 /nfs/dbraw/zinc/48/22/87/500482287.db2.gz RLJSHSCQSBWAFG-MSOLQXFVSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424292928 500482619 /nfs/dbraw/zinc/48/26/19/500482619.db2.gz OWIMOQLGXSCAIS-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl)CC[NH2+]CC2 ZINC000424292928 500482623 /nfs/dbraw/zinc/48/26/23/500482623.db2.gz OWIMOQLGXSCAIS-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(F)cc3Cl)nn1)CC[NH2+]CC2 ZINC000424380130 500494495 /nfs/dbraw/zinc/49/44/95/500494495.db2.gz PLEBHWXCQNGTIF-ZDUSSCGKSA-N 2 1 363.868 3.024 20 0 FGADMP C[C@H](CCNC(=O)NC1CCC([NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000420791186 500501994 /nfs/dbraw/zinc/50/19/94/500501994.db2.gz HKHBVRLYYGAUAH-QHGAOEGBSA-N 2 1 360.546 3.069 20 0 FGADMP CC[C@H](CNC(=O)Nc1cc(C)cc(C[NH3+])c1)[N@H+]1CCc2ccccc2C1 ZINC000424434268 500504582 /nfs/dbraw/zinc/50/45/82/500504582.db2.gz GEHORBLLUGJSGR-OAQYLSRUSA-N 2 1 366.509 3.412 20 0 FGADMP Cc1c([C@@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412779 500512597 /nfs/dbraw/zinc/51/25/97/500512597.db2.gz CVDFCUQXRMGURR-QZTJIDSGSA-N 2 1 371.529 3.036 20 0 FGADMP c1ccc(N2CCC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420901370 500526382 /nfs/dbraw/zinc/52/63/82/500526382.db2.gz JYRBQCGLWIFERB-UHFFFAOYSA-N 2 1 365.521 3.231 20 0 FGADMP c1ccc(N2CCC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)cc1 ZINC000420901370 500526385 /nfs/dbraw/zinc/52/63/85/500526385.db2.gz JYRBQCGLWIFERB-UHFFFAOYSA-N 2 1 365.521 3.231 20 0 FGADMP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000432521632 500526775 /nfs/dbraw/zinc/52/67/75/500526775.db2.gz ZDAOWBWKWZNQHK-UWJYYQICSA-N 2 1 351.494 3.046 20 0 FGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420922413 500530659 /nfs/dbraw/zinc/53/06/59/500530659.db2.gz NYMUDSPEPDCMGK-QHCPKHFHSA-N 2 1 368.521 3.208 20 0 FGADMP COC[C@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922413 500530664 /nfs/dbraw/zinc/53/06/64/500530664.db2.gz NYMUDSPEPDCMGK-QHCPKHFHSA-N 2 1 368.521 3.208 20 0 FGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922413 500530666 /nfs/dbraw/zinc/53/06/66/500530666.db2.gz NYMUDSPEPDCMGK-QHCPKHFHSA-N 2 1 368.521 3.208 20 0 FGADMP CCCCN(C(=O)[C@H](C)[NH+]1CCSCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000442657469 500609429 /nfs/dbraw/zinc/60/94/29/500609429.db2.gz XRRHCQSGWRJXEN-INIZCTEOSA-N 2 1 369.619 3.362 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801400 500627915 /nfs/dbraw/zinc/62/79/15/500627915.db2.gz OMSZRBDQTAHAHV-PGRDOPGGSA-N 2 1 363.505 3.424 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000442801400 500627916 /nfs/dbraw/zinc/62/79/16/500627916.db2.gz OMSZRBDQTAHAHV-PGRDOPGGSA-N 2 1 363.505 3.424 20 0 FGADMP COc1cc(Br)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(OC)c1 ZINC000442921546 500647491 /nfs/dbraw/zinc/64/74/91/500647491.db2.gz NRCXZYPPPFAFGF-GFCCVEGCSA-N 2 1 357.292 3.027 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H](CC[NH3+])C3)c2C)cc1 ZINC000442925693 500648036 /nfs/dbraw/zinc/64/80/36/500648036.db2.gz WENJHRRQSQOCAE-GOSISDBHSA-N 2 1 356.514 3.118 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000442939083 500650326 /nfs/dbraw/zinc/65/03/26/500650326.db2.gz BZIBUDYBSUOLCP-QZNHQXDQSA-N 2 1 369.553 3.137 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000442939083 500650327 /nfs/dbraw/zinc/65/03/27/500650327.db2.gz BZIBUDYBSUOLCP-QZNHQXDQSA-N 2 1 369.553 3.137 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000442939083 500650328 /nfs/dbraw/zinc/65/03/28/500650328.db2.gz BZIBUDYBSUOLCP-QZNHQXDQSA-N 2 1 369.553 3.137 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000433302217 500666643 /nfs/dbraw/zinc/66/66/43/500666643.db2.gz HWVRXQURQMIIRW-UHFFFAOYSA-N 2 1 357.542 3.476 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C1 ZINC000443061247 500671660 /nfs/dbraw/zinc/67/16/60/500671660.db2.gz UXVIPYWZLRHDAY-IBGZPJMESA-N 2 1 365.521 3.343 20 0 FGADMP C[C@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443203548 500695688 /nfs/dbraw/zinc/69/56/88/500695688.db2.gz MDKMYBDCPHBOOI-QLFBSQMISA-N 2 1 359.474 3.006 20 0 FGADMP C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000437808946 500699907 /nfs/dbraw/zinc/69/99/07/500699907.db2.gz HEHYTTIUWVWDLN-AEFFLSMTSA-N 2 1 352.567 3.059 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000437994920 500725996 /nfs/dbraw/zinc/72/59/96/500725996.db2.gz CTTGASZMHAHIMO-YLJYHZDGSA-N 2 1 369.513 3.059 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000437994920 500725999 /nfs/dbraw/zinc/72/59/99/500725999.db2.gz CTTGASZMHAHIMO-YLJYHZDGSA-N 2 1 369.513 3.059 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc4c(cccc4F)[nH]3)CC2)CC1 ZINC000438104617 500738537 /nfs/dbraw/zinc/73/85/37/500738537.db2.gz NXCJXMGNRKCQLL-UHFFFAOYSA-N 2 1 358.505 3.297 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170452 500749782 /nfs/dbraw/zinc/74/97/82/500749782.db2.gz XVEBOVNVMKCYQF-MSOLQXFVSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170452 500749785 /nfs/dbraw/zinc/74/97/85/500749785.db2.gz XVEBOVNVMKCYQF-MSOLQXFVSA-N 2 1 358.448 3.415 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C(C)(C)C[NH+](C)C ZINC000443681574 500755710 /nfs/dbraw/zinc/75/57/10/500755710.db2.gz KJNYXWMWJNWBQG-GOSISDBHSA-N 2 1 366.594 3.260 20 0 FGADMP O=C([C@@H]1CC[N@H+](C2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448449116 500761140 /nfs/dbraw/zinc/76/11/40/500761140.db2.gz PCUIHGFLEWTQNI-OPYAIIAOSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000448449116 500761141 /nfs/dbraw/zinc/76/11/41/500761141.db2.gz PCUIHGFLEWTQNI-OPYAIIAOSA-N 2 1 359.558 3.116 20 0 FGADMP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000448449116 500761142 /nfs/dbraw/zinc/76/11/42/500761142.db2.gz PCUIHGFLEWTQNI-OPYAIIAOSA-N 2 1 359.558 3.116 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000448469731 500763058 /nfs/dbraw/zinc/76/30/58/500763058.db2.gz BHPROTNIYRLXDD-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438327296 500770171 /nfs/dbraw/zinc/77/01/71/500770171.db2.gz LNUFYWKQQPZGQZ-ICSRJNTNSA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438327296 500770176 /nfs/dbraw/zinc/77/01/76/500770176.db2.gz LNUFYWKQQPZGQZ-ICSRJNTNSA-N 2 1 364.578 3.299 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438327296 500770179 /nfs/dbraw/zinc/77/01/79/500770179.db2.gz LNUFYWKQQPZGQZ-ICSRJNTNSA-N 2 1 364.578 3.299 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000438329651 500770790 /nfs/dbraw/zinc/77/07/90/500770790.db2.gz RFOTXGSTVPYVLW-RLLQIKCJSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000438329651 500770791 /nfs/dbraw/zinc/77/07/91/500770791.db2.gz RFOTXGSTVPYVLW-RLLQIKCJSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000438329651 500770793 /nfs/dbraw/zinc/77/07/93/500770793.db2.gz RFOTXGSTVPYVLW-RLLQIKCJSA-N 2 1 364.578 3.155 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329653 500770826 /nfs/dbraw/zinc/77/08/26/500770826.db2.gz RFOTXGSTVPYVLW-SXLOBPIMSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329653 500770828 /nfs/dbraw/zinc/77/08/28/500770828.db2.gz RFOTXGSTVPYVLW-SXLOBPIMSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000438329653 500770831 /nfs/dbraw/zinc/77/08/31/500770831.db2.gz RFOTXGSTVPYVLW-SXLOBPIMSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000438573076 500803627 /nfs/dbraw/zinc/80/36/27/500803627.db2.gz WBAOLQHVEZBMOC-QGZVFWFLSA-N 2 1 351.494 3.176 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000438573076 500803630 /nfs/dbraw/zinc/80/36/30/500803630.db2.gz WBAOLQHVEZBMOC-QGZVFWFLSA-N 2 1 351.494 3.176 20 0 FGADMP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000444265573 500826322 /nfs/dbraw/zinc/82/63/22/500826322.db2.gz AYEBPTJGPCZNRD-IFMALSPDSA-N 2 1 367.537 3.033 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434355648 500831045 /nfs/dbraw/zinc/83/10/45/500831045.db2.gz PBVBIUUGEYXIMQ-RBUKOAKNSA-N 2 1 374.529 3.123 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000438970635 500842327 /nfs/dbraw/zinc/84/23/27/500842327.db2.gz FLLXLHGYRONVLF-MSOLQXFVSA-N 2 1 366.575 3.161 20 0 FGADMP CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1=O ZINC000434684520 500879332 /nfs/dbraw/zinc/87/93/32/500879332.db2.gz JGQAYRXSCDCUBR-LJQANCHMSA-N 2 1 372.557 3.436 20 0 FGADMP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000434709838 500882238 /nfs/dbraw/zinc/88/22/38/500882238.db2.gz VXTTVBNNSMSLMT-LAUBAEHRSA-N 2 1 351.494 3.189 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4c(OC)c3)C2)CC1 ZINC000449023139 500901366 /nfs/dbraw/zinc/90/13/66/500901366.db2.gz NUCKCMWEXKEGPF-HXUWFJFHSA-N 2 1 353.510 3.060 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@](C)(CCc3ccccc3)C2)CC1 ZINC000434905071 500910591 /nfs/dbraw/zinc/91/05/91/500910591.db2.gz IBADZJZOISDGAH-HSZRJFAPSA-N 2 1 371.569 3.320 20 0 FGADMP CC(C)C[N@H+]1CCO[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449058823 500913837 /nfs/dbraw/zinc/91/38/37/500913837.db2.gz MHFGMWSDTDRNMP-NFBKMPQASA-N 2 1 373.585 3.028 20 0 FGADMP Ic1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000449093639 500923423 /nfs/dbraw/zinc/92/34/23/500923423.db2.gz WORJXOOKIDDBMW-UHFFFAOYSA-N 2 1 370.278 3.255 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc2[nH]ccc2cc1C ZINC000444977749 500928792 /nfs/dbraw/zinc/92/87/92/500928792.db2.gz UFFNAEPMIKOUCZ-GOSISDBHSA-N 2 1 371.529 3.356 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000435375224 500962305 /nfs/dbraw/zinc/96/23/05/500962305.db2.gz UHBXPMCCKBKREK-CVEARBPZSA-N 2 1 356.514 3.483 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435562899 500992745 /nfs/dbraw/zinc/99/27/45/500992745.db2.gz JTYXHTORWCAZIB-SOLBZPMBSA-N 2 1 361.555 3.092 20 0 FGADMP Cc1cc(NC[C@@H]2CCC[N@H+]2C2CCCCC2)nc(-c2ccncc2)n1 ZINC000435590051 500996734 /nfs/dbraw/zinc/99/67/34/500996734.db2.gz UMWGPJVWQCLHEK-IBGZPJMESA-N 2 1 351.498 3.478 20 0 FGADMP Cn1ccnc1C[N@H+](CCSc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683866 501011568 /nfs/dbraw/zinc/01/15/68/501011568.db2.gz SMHQTYVWZCXSLU-SFHVURJKSA-N 2 1 356.539 3.157 20 0 FGADMP Cn1ccnc1C[N@@H+](CCSc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683866 501011573 /nfs/dbraw/zinc/01/15/73/501011573.db2.gz SMHQTYVWZCXSLU-SFHVURJKSA-N 2 1 356.539 3.157 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000435698501 501013951 /nfs/dbraw/zinc/01/39/51/501013951.db2.gz WTMZJIOJBZPIDK-GOSISDBHSA-N 2 1 373.497 3.470 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)Nc1ccc(F)cc1 ZINC000435698501 501013954 /nfs/dbraw/zinc/01/39/54/501013954.db2.gz WTMZJIOJBZPIDK-GOSISDBHSA-N 2 1 373.497 3.470 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(CC)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000440538761 501020752 /nfs/dbraw/zinc/02/07/52/501020752.db2.gz RPOMDJASFIBYIM-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440538761 501020753 /nfs/dbraw/zinc/02/07/53/501020753.db2.gz RPOMDJASFIBYIM-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440538761 501020756 /nfs/dbraw/zinc/02/07/56/501020756.db2.gz RPOMDJASFIBYIM-LEWJYISDSA-N 2 1 357.542 3.231 20 0 FGADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000449511811 501022052 /nfs/dbraw/zinc/02/20/52/501022052.db2.gz OAXDGSYVVNKEJI-RTWAWAEBSA-N 2 1 358.526 3.405 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)c2nccn21 ZINC000449572330 501035088 /nfs/dbraw/zinc/03/50/88/501035088.db2.gz MVYQPORIIBWSIG-QFBILLFUSA-N 2 1 353.514 3.209 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449751426 501075551 /nfs/dbraw/zinc/07/55/51/501075551.db2.gz YIPDTOMPDNREFW-VAMGGRTRSA-N 2 1 351.494 3.481 20 0 FGADMP COc1cccnc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449751426 501075554 /nfs/dbraw/zinc/07/55/54/501075554.db2.gz YIPDTOMPDNREFW-VAMGGRTRSA-N 2 1 351.494 3.481 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270369 501111695 /nfs/dbraw/zinc/11/16/95/501111695.db2.gz OHYSNWTWLYLNGX-KYJSFNMBSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccccc1C(F)(F)F ZINC000441270369 501111698 /nfs/dbraw/zinc/11/16/98/501111698.db2.gz OHYSNWTWLYLNGX-KYJSFNMBSA-N 2 1 372.431 3.268 20 0 FGADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000446456430 501122394 /nfs/dbraw/zinc/12/23/94/501122394.db2.gz HWMNSZPWIJTYPD-NRFANRHFSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000446456430 501122396 /nfs/dbraw/zinc/12/23/96/501122396.db2.gz HWMNSZPWIJTYPD-NRFANRHFSA-N 2 1 373.516 3.171 20 0 FGADMP COC(=O)c1ccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c(Cl)c1 ZINC000441371933 501129017 /nfs/dbraw/zinc/12/90/17/501129017.db2.gz NQWXUCUTUOWOIG-INIZCTEOSA-N 2 1 368.905 3.312 20 0 FGADMP COC(=O)c1ccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c(Cl)c1 ZINC000441371933 501129019 /nfs/dbraw/zinc/12/90/19/501129019.db2.gz NQWXUCUTUOWOIG-INIZCTEOSA-N 2 1 368.905 3.312 20 0 FGADMP COC(=O)c1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c(Cl)c1 ZINC000441371933 501129021 /nfs/dbraw/zinc/12/90/21/501129021.db2.gz NQWXUCUTUOWOIG-INIZCTEOSA-N 2 1 368.905 3.312 20 0 FGADMP COC(=O)c1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c(Cl)c1 ZINC000441371933 501129023 /nfs/dbraw/zinc/12/90/23/501129023.db2.gz NQWXUCUTUOWOIG-INIZCTEOSA-N 2 1 368.905 3.312 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CC1(C)C ZINC000441379183 501130603 /nfs/dbraw/zinc/13/06/03/501130603.db2.gz OSDMYZPUEIZXQZ-UHFFFAOYSA-N 2 1 361.864 3.057 20 0 FGADMP Cn1cc[nH+]c1CC1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446591174 501138979 /nfs/dbraw/zinc/13/89/79/501138979.db2.gz QWPWJMRDKMEWKZ-UHFFFAOYSA-N 2 1 369.513 3.011 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1)CC1CC1 ZINC000446615489 501142248 /nfs/dbraw/zinc/14/22/48/501142248.db2.gz OGRIDLZKWBASCF-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP COc1ccc([C@H](CCn2cncn2)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000446750350 501161004 /nfs/dbraw/zinc/16/10/04/501161004.db2.gz GINSWFNGDNSHLI-RXVVDRJESA-N 2 1 371.529 3.272 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000450643786 501173589 /nfs/dbraw/zinc/17/35/89/501173589.db2.gz RGDPJDCTQFDXCJ-UHFFFAOYSA-N 2 1 368.481 3.002 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000453110476 501271166 /nfs/dbraw/zinc/27/11/66/501271166.db2.gz BMMKHWLRMGVJRB-XYJFISCASA-N 2 1 352.544 3.305 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000453110476 501271168 /nfs/dbraw/zinc/27/11/68/501271168.db2.gz BMMKHWLRMGVJRB-XYJFISCASA-N 2 1 352.544 3.305 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000457641776 501274465 /nfs/dbraw/zinc/27/44/65/501274465.db2.gz DOYGYIDJUYUWCQ-SFHVURJKSA-N 2 1 360.546 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000457648832 501277261 /nfs/dbraw/zinc/27/72/61/501277261.db2.gz KUCXWATUENZWMS-SFHVURJKSA-N 2 1 372.557 3.153 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000457648832 501277263 /nfs/dbraw/zinc/27/72/63/501277263.db2.gz KUCXWATUENZWMS-SFHVURJKSA-N 2 1 372.557 3.153 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453148068 501279351 /nfs/dbraw/zinc/27/93/51/501279351.db2.gz QRPIFLDPVXDVHJ-PCCBWWKXSA-N 2 1 365.525 3.188 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(C)nn1C ZINC000453200463 501290058 /nfs/dbraw/zinc/29/00/58/501290058.db2.gz RGFYATDBSAJJFW-NRSPTQNISA-N 2 1 368.525 3.270 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(C)nn1C ZINC000453200463 501290060 /nfs/dbraw/zinc/29/00/60/501290060.db2.gz RGFYATDBSAJJFW-NRSPTQNISA-N 2 1 368.525 3.270 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000455465173 501310051 /nfs/dbraw/zinc/31/00/51/501310051.db2.gz AMRHDKYOERSJOQ-IHWFROFDSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000457800928 501311475 /nfs/dbraw/zinc/31/14/75/501311475.db2.gz XXEGZOGKPHUUPI-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453316729 501313979 /nfs/dbraw/zinc/31/39/79/501313979.db2.gz JXRDZWHOIQOYDD-PFDCGNQRSA-N 2 1 372.553 3.318 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531829 501314618 /nfs/dbraw/zinc/31/46/18/501314618.db2.gz KLZJSSUEIVFXCO-REWPJTCUSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531829 501314621 /nfs/dbraw/zinc/31/46/21/501314621.db2.gz KLZJSSUEIVFXCO-REWPJTCUSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531829 501314623 /nfs/dbraw/zinc/31/46/23/501314623.db2.gz KLZJSSUEIVFXCO-REWPJTCUSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531829 501314626 /nfs/dbraw/zinc/31/46/26/501314626.db2.gz KLZJSSUEIVFXCO-REWPJTCUSA-N 2 1 371.569 3.274 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328115 /nfs/dbraw/zinc/32/81/15/501328115.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328118 /nfs/dbraw/zinc/32/81/18/501328118.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)c2)C[C@@H]1C ZINC000451572623 501328120 /nfs/dbraw/zinc/32/81/20/501328120.db2.gz QTKAJVSDUXXEQI-MTIDIVMFSA-N 2 1 360.542 3.400 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000455627121 501350403 /nfs/dbraw/zinc/35/04/03/501350403.db2.gz ZKOAKDIZNNUCPF-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455627121 501350406 /nfs/dbraw/zinc/35/04/06/501350406.db2.gz ZKOAKDIZNNUCPF-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCN(C(=O)NCCCC[N@@H+](C)C2CC2)CC[NH+]1Cc1ccccc1 ZINC000455627121 501350408 /nfs/dbraw/zinc/35/04/08/501350408.db2.gz ZKOAKDIZNNUCPF-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[S@](=O)C1(C[NH2+]C[C@@]2(C(C)(C)C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000602656242 506248498 /nfs/dbraw/zinc/24/84/98/506248498.db2.gz NKVODTHHBGUKGJ-CPJSRVTESA-N 2 1 362.583 3.426 20 0 FGADMP C(CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451898198 501395981 /nfs/dbraw/zinc/39/59/81/501395981.db2.gz IWGJZXXOSXKIKZ-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451898198 501395984 /nfs/dbraw/zinc/39/59/84/501395984.db2.gz IWGJZXXOSXKIKZ-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451898198 501395987 /nfs/dbraw/zinc/39/59/87/501395987.db2.gz IWGJZXXOSXKIKZ-OYRHEFFESA-N 2 1 350.547 3.162 20 0 FGADMP C(CC[NH+]1CCC[C@]2(CCOC2)C1)CC[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000451898200 501396194 /nfs/dbraw/zinc/39/61/94/501396194.db2.gz IWGJZXXOSXKIKZ-SFTDATJTSA-N 2 1 350.547 3.162 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455909085 501413027 /nfs/dbraw/zinc/41/30/27/501413027.db2.gz ILDAXIYQKVXYHC-JXXFODFXSA-N 2 1 358.530 3.477 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455915606 501414402 /nfs/dbraw/zinc/41/44/02/501414402.db2.gz KMAFVWWGJWQPAF-IBGZPJMESA-N 2 1 355.486 3.342 20 0 FGADMP CSc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000452160163 501448375 /nfs/dbraw/zinc/44/83/75/501448375.db2.gz BWYPDTBKHUIVTR-HKUYNNGSSA-N 2 1 363.571 3.392 20 0 FGADMP C[C@H](NC(=O)NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000458638178 501495348 /nfs/dbraw/zinc/49/53/48/501495348.db2.gz SUVOQNITOBGVMO-RBUKOAKNSA-N 2 1 364.578 3.205 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccc(I)cc2)CC1(C)C ZINC000598985900 506262487 /nfs/dbraw/zinc/26/24/87/506262487.db2.gz CZNXGJRBAXJGCN-OAHLLOKOSA-N 2 1 372.294 3.296 20 0 FGADMP CC[N@@H+](CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C(C)C ZINC000588291737 506263012 /nfs/dbraw/zinc/26/30/12/506263012.db2.gz UEHDPNDLVJHUCG-HXUWFJFHSA-N 2 1 360.546 3.161 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000456999061 501632960 /nfs/dbraw/zinc/63/29/60/501632960.db2.gz SJPSCVLYMGALBV-NRFANRHFSA-N 2 1 351.494 3.315 20 0 FGADMP COC(=O)c1cccnc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000459366212 501640434 /nfs/dbraw/zinc/64/04/34/501640434.db2.gz NOSAZSVKCFFGPL-QGZVFWFLSA-N 2 1 359.514 3.345 20 0 FGADMP COC(=O)c1cccnc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000459366212 501640436 /nfs/dbraw/zinc/64/04/36/501640436.db2.gz NOSAZSVKCFFGPL-QGZVFWFLSA-N 2 1 359.514 3.345 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC)CC2)[C@H]1Sc1ccccc1 ZINC000459389082 501644841 /nfs/dbraw/zinc/64/48/41/501644841.db2.gz QGACLSONVHQMIR-VAMGGRTRSA-N 2 1 364.555 3.025 20 0 FGADMP O=C(C[N@@H+]1CC2(CCCC2)[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459565165 501677741 /nfs/dbraw/zinc/67/77/41/501677741.db2.gz GEZLCAXWRVINKT-JOCHJYFZSA-N 2 1 367.537 3.347 20 0 FGADMP O=C(C[N@H+]1CC2(CCCC2)[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459565165 501677742 /nfs/dbraw/zinc/67/77/42/501677742.db2.gz GEZLCAXWRVINKT-JOCHJYFZSA-N 2 1 367.537 3.347 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490142 501709181 /nfs/dbraw/zinc/70/91/81/501709181.db2.gz SUKDEHJMGBYYMK-QAPCUYQASA-N 2 1 366.937 3.067 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490142 501709182 /nfs/dbraw/zinc/70/91/82/501709182.db2.gz SUKDEHJMGBYYMK-QAPCUYQASA-N 2 1 366.937 3.067 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000463492574 501740955 /nfs/dbraw/zinc/74/09/55/501740955.db2.gz IJZFWBHQZILGDZ-UHFFFAOYSA-N 2 1 354.498 3.092 20 0 FGADMP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498271 501793054 /nfs/dbraw/zinc/79/30/54/501793054.db2.gz RZTDBLXWRHUFNS-YADHBBJMSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000481498271 501793055 /nfs/dbraw/zinc/79/30/55/501793055.db2.gz RZTDBLXWRHUFNS-YADHBBJMSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000481498271 501793056 /nfs/dbraw/zinc/79/30/56/501793056.db2.gz RZTDBLXWRHUFNS-YADHBBJMSA-N 2 1 371.569 3.450 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000477918646 501828751 /nfs/dbraw/zinc/82/87/51/501828751.db2.gz VTSMIQJQIXQEPL-OAQYLSRUSA-N 2 1 359.558 3.080 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000477920879 501829192 /nfs/dbraw/zinc/82/91/92/501829192.db2.gz GVFRSLOZCFCUHK-OAHLLOKOSA-N 2 1 350.503 3.485 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477949520 501837788 /nfs/dbraw/zinc/83/77/88/501837788.db2.gz GBMLLGCPJDORQZ-HXUWFJFHSA-N 2 1 355.526 3.033 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000460508490 501843752 /nfs/dbraw/zinc/84/37/52/501843752.db2.gz FKSJTHVHWYUDOU-HXUWFJFHSA-N 2 1 366.594 3.262 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470896323 501845376 /nfs/dbraw/zinc/84/53/76/501845376.db2.gz FFYPNASJFNGVCI-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470896323 501845377 /nfs/dbraw/zinc/84/53/77/501845377.db2.gz FFYPNASJFNGVCI-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470896323 501845378 /nfs/dbraw/zinc/84/53/78/501845378.db2.gz FFYPNASJFNGVCI-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000478001105 501850434 /nfs/dbraw/zinc/85/04/34/501850434.db2.gz YEVYOXPYMBPCTQ-JOCHJYFZSA-N 2 1 371.569 3.479 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460647452 501885390 /nfs/dbraw/zinc/88/53/90/501885390.db2.gz HULRIERMGNHXIF-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647452 501885395 /nfs/dbraw/zinc/88/53/95/501885395.db2.gz HULRIERMGNHXIF-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647452 501885402 /nfs/dbraw/zinc/88/54/02/501885402.db2.gz HULRIERMGNHXIF-KZNAEPCWSA-N 2 1 352.567 3.059 20 0 FGADMP CN(C(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470996042 501885852 /nfs/dbraw/zinc/88/58/52/501885852.db2.gz QGMSDLQIVGZKRD-OYRHEFFESA-N 2 1 363.505 3.103 20 0 FGADMP CN(C(=O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470996042 501885860 /nfs/dbraw/zinc/88/58/60/501885860.db2.gz QGMSDLQIVGZKRD-OYRHEFFESA-N 2 1 363.505 3.103 20 0 FGADMP CN(C(=O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)c1ccccc1 ZINC000470996042 501885866 /nfs/dbraw/zinc/88/58/66/501885866.db2.gz QGMSDLQIVGZKRD-OYRHEFFESA-N 2 1 363.505 3.103 20 0 FGADMP Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000471019571 501892430 /nfs/dbraw/zinc/89/24/30/501892430.db2.gz BLHNVHPOTIFQTR-LJQANCHMSA-N 2 1 357.542 3.082 20 0 FGADMP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474613993 501893675 /nfs/dbraw/zinc/89/36/75/501893675.db2.gz VPNXMLRICPLWBP-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000474613993 501893681 /nfs/dbraw/zinc/89/36/81/501893681.db2.gz VPNXMLRICPLWBP-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474613993 501893684 /nfs/dbraw/zinc/89/36/84/501893684.db2.gz VPNXMLRICPLWBP-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474613993 501893687 /nfs/dbraw/zinc/89/36/87/501893687.db2.gz VPNXMLRICPLWBP-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP C[C@@H](CCNC(=O)N(CC[NH+](C)C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000468007417 501927954 /nfs/dbraw/zinc/92/79/54/501927954.db2.gz XMKFVGLAAPZZTC-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)c1ccc(Cl)cc1 ZINC000474708480 501928106 /nfs/dbraw/zinc/92/81/06/501928106.db2.gz LNQKXKORLHODNE-VYDXJSESSA-N 2 1 351.922 3.009 20 0 FGADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005149 501943781 /nfs/dbraw/zinc/94/37/81/501943781.db2.gz JYERDXFAHBRYAY-FUHWJXTLSA-N 2 1 367.331 3.218 20 0 FGADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005149 501943782 /nfs/dbraw/zinc/94/37/82/501943782.db2.gz JYERDXFAHBRYAY-FUHWJXTLSA-N 2 1 367.331 3.218 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005153 501944422 /nfs/dbraw/zinc/94/44/22/501944422.db2.gz JYERDXFAHBRYAY-WMZOPIPTSA-N 2 1 367.331 3.218 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005153 501944426 /nfs/dbraw/zinc/94/44/26/501944426.db2.gz JYERDXFAHBRYAY-WMZOPIPTSA-N 2 1 367.331 3.218 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000460955024 501969815 /nfs/dbraw/zinc/96/98/15/501969815.db2.gz ZIXKWCNUCCXTNU-LMDPOFIKSA-N 2 1 352.567 3.057 20 0 FGADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)c1ccccc1 ZINC000482084295 501969747 /nfs/dbraw/zinc/96/97/47/501969747.db2.gz WTGUASNVJMRGFY-WMQCIHAUSA-N 2 1 357.542 3.497 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000478412570 501974413 /nfs/dbraw/zinc/97/44/13/501974413.db2.gz DHSNPPKJQDKBGP-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113105 501978941 /nfs/dbraw/zinc/97/89/41/501978941.db2.gz XISLZEMQYICMIK-UGKGYDQZSA-N 2 1 365.521 3.193 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000482132789 501984340 /nfs/dbraw/zinc/98/43/40/501984340.db2.gz BWINZWYRKTYCQW-FUHWJXTLSA-N 2 1 363.571 3.123 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000482136991 501985691 /nfs/dbraw/zinc/98/56/91/501985691.db2.gz QTSXRJRUJCPFON-UYAOXDASSA-N 2 1 359.514 3.318 20 0 FGADMP Cc1ccccc1C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475024076 502025538 /nfs/dbraw/zinc/02/55/38/502025538.db2.gz OYWAYZWQWFVJRM-QFIPXVFZSA-N 2 1 365.521 3.379 20 0 FGADMP Cc1ccccc1C[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000475024076 502025545 /nfs/dbraw/zinc/02/55/45/502025545.db2.gz OYWAYZWQWFVJRM-QFIPXVFZSA-N 2 1 365.521 3.379 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043009 502032383 /nfs/dbraw/zinc/03/23/83/502032383.db2.gz RXQILAPMKDMHGN-CTNGQTDRSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1)c1ccccc1 ZINC000475043009 502032387 /nfs/dbraw/zinc/03/23/87/502032387.db2.gz RXQILAPMKDMHGN-CTNGQTDRSA-N 2 1 369.484 3.034 20 0 FGADMP CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475100679 502058920 /nfs/dbraw/zinc/05/89/20/502058920.db2.gz KACXEBGRGSCLHO-PMACEKPBSA-N 2 1 374.573 3.269 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H]3CCCC[C@H]3C)CC2)cc1 ZINC000475157361 502085516 /nfs/dbraw/zinc/08/55/16/502085516.db2.gz YOTIBRMZRFYRIM-CTNGQTDRSA-N 2 1 357.542 3.198 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000464810740 502101401 /nfs/dbraw/zinc/10/14/01/502101401.db2.gz KYZOGDODFZXKNY-AZUAARDMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000464810740 502101402 /nfs/dbraw/zinc/10/14/02/502101402.db2.gz KYZOGDODFZXKNY-AZUAARDMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)CC[C@H]2C)CC1 ZINC000464810740 502101407 /nfs/dbraw/zinc/10/14/07/502101407.db2.gz KYZOGDODFZXKNY-AZUAARDMSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259269 502103268 /nfs/dbraw/zinc/10/32/68/502103268.db2.gz POALNRNCOMCPDU-ATZDWAIDSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000486259269 502103269 /nfs/dbraw/zinc/10/32/69/502103269.db2.gz POALNRNCOMCPDU-ATZDWAIDSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000486259269 502103271 /nfs/dbraw/zinc/10/32/71/502103271.db2.gz POALNRNCOMCPDU-ATZDWAIDSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1C[NH+](C)C[C@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000486259269 502103272 /nfs/dbraw/zinc/10/32/72/502103272.db2.gz POALNRNCOMCPDU-ATZDWAIDSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468556870 502104906 /nfs/dbraw/zinc/10/49/06/502104906.db2.gz WXNKPDJFUFLOSJ-PGRDOPGGSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468556870 502104909 /nfs/dbraw/zinc/10/49/09/502104909.db2.gz WXNKPDJFUFLOSJ-PGRDOPGGSA-N 2 1 356.485 3.373 20 0 FGADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837355 502114002 /nfs/dbraw/zinc/11/40/02/502114002.db2.gz MVYNOKCCIMLMSL-KXBFYZLASA-N 2 1 359.514 3.104 20 0 FGADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](C3CC3)CC2)o1 ZINC000464837355 502114005 /nfs/dbraw/zinc/11/40/05/502114005.db2.gz MVYNOKCCIMLMSL-KXBFYZLASA-N 2 1 359.514 3.104 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953620 502154991 /nfs/dbraw/zinc/15/49/91/502154991.db2.gz PJBJNCQKOBNCFI-OTWHNJEPSA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953620 502154994 /nfs/dbraw/zinc/15/49/94/502154994.db2.gz PJBJNCQKOBNCFI-OTWHNJEPSA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000464953620 502154998 /nfs/dbraw/zinc/15/49/98/502154998.db2.gz PJBJNCQKOBNCFI-OTWHNJEPSA-N 2 1 366.594 3.020 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955440 502155979 /nfs/dbraw/zinc/15/59/79/502155979.db2.gz UNLPVGYBLCGONA-SFHLNBCPSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955440 502155984 /nfs/dbraw/zinc/15/59/84/502155984.db2.gz UNLPVGYBLCGONA-SFHLNBCPSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000464955440 502155987 /nfs/dbraw/zinc/15/59/87/502155987.db2.gz UNLPVGYBLCGONA-SFHLNBCPSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000471866976 502159177 /nfs/dbraw/zinc/15/91/77/502159177.db2.gz YPYYDTLXNFSDGX-ZVDOUQERSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471866976 502159181 /nfs/dbraw/zinc/15/91/81/502159181.db2.gz YPYYDTLXNFSDGX-ZVDOUQERSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471866976 502159187 /nfs/dbraw/zinc/15/91/87/502159187.db2.gz YPYYDTLXNFSDGX-ZVDOUQERSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471866974 502159556 /nfs/dbraw/zinc/15/95/56/502159556.db2.gz YPYYDTLXNFSDGX-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000468747856 502169352 /nfs/dbraw/zinc/16/93/52/502169352.db2.gz MRFRKCBYCZVZBW-NRFANRHFSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCCCC1 ZINC000468747856 502169360 /nfs/dbraw/zinc/16/93/60/502169360.db2.gz MRFRKCBYCZVZBW-NRFANRHFSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CCCCC1 ZINC000468747856 502169367 /nfs/dbraw/zinc/16/93/67/502169367.db2.gz MRFRKCBYCZVZBW-NRFANRHFSA-N 2 1 357.542 3.422 20 0 FGADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000482872744 502204418 /nfs/dbraw/zinc/20/44/18/502204418.db2.gz CLVGFCLRWNFMFR-NRFANRHFSA-N 2 1 359.558 3.176 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000468928448 502234024 /nfs/dbraw/zinc/23/40/24/502234024.db2.gz LQFJNPFVCAEPSH-PGRDOPGGSA-N 2 1 364.537 3.464 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)[C@@H](C)C1 ZINC000468928448 502234030 /nfs/dbraw/zinc/23/40/30/502234030.db2.gz LQFJNPFVCAEPSH-PGRDOPGGSA-N 2 1 364.537 3.464 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472111625 502236219 /nfs/dbraw/zinc/23/62/19/502236219.db2.gz YHNACJWEGUFLNE-ZTFGCOKTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000472111625 502236226 /nfs/dbraw/zinc/23/62/26/502236226.db2.gz YHNACJWEGUFLNE-ZTFGCOKTSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@@H](C[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1 ZINC000472126595 502241547 /nfs/dbraw/zinc/24/15/47/502241547.db2.gz RPFCRNLNUIYIRD-ROUUACIJSA-N 2 1 371.525 3.305 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150683 502248701 /nfs/dbraw/zinc/24/87/01/502248701.db2.gz FEHBUZOGQPTRJF-FKBYEOEOSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000472150683 502248707 /nfs/dbraw/zinc/24/87/07/502248707.db2.gz FEHBUZOGQPTRJF-FKBYEOEOSA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000472150683 502248714 /nfs/dbraw/zinc/24/87/14/502248714.db2.gz FEHBUZOGQPTRJF-FKBYEOEOSA-N 2 1 360.542 3.149 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000465397644 502250420 /nfs/dbraw/zinc/25/04/20/502250420.db2.gz SVJSPTMLSWNWSP-AABGKKOBSA-N 2 1 366.594 3.164 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000475731238 502268404 /nfs/dbraw/zinc/26/84/04/502268404.db2.gz DAXFCJYHWYKNQF-RLLQIKCJSA-N 2 1 371.569 3.442 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462007756 502272140 /nfs/dbraw/zinc/27/21/40/502272140.db2.gz GYVYOEMTVVTZPL-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462007756 502272146 /nfs/dbraw/zinc/27/21/46/502272146.db2.gz GYVYOEMTVVTZPL-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462007756 502272149 /nfs/dbraw/zinc/27/21/49/502272149.db2.gz GYVYOEMTVVTZPL-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000462017743 502275362 /nfs/dbraw/zinc/27/53/62/502275362.db2.gz UMTHHYCRCCMVGD-KRWDZBQOSA-N 2 1 359.514 3.139 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000465512046 502284168 /nfs/dbraw/zinc/28/41/68/502284168.db2.gz FCOLTEWXTPGHKM-OAQYLSRUSA-N 2 1 374.573 3.402 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144584 502290982 /nfs/dbraw/zinc/29/09/82/502290982.db2.gz RSUNUXFSWKDHLA-KEYYUXOJSA-N 2 1 357.420 3.094 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144584 502290988 /nfs/dbraw/zinc/29/09/88/502290988.db2.gz RSUNUXFSWKDHLA-KEYYUXOJSA-N 2 1 357.420 3.094 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144583 502291513 /nfs/dbraw/zinc/29/15/13/502291513.db2.gz RSUNUXFSWKDHLA-JKIFEVAISA-N 2 1 357.420 3.094 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144583 502291518 /nfs/dbraw/zinc/29/15/18/502291518.db2.gz RSUNUXFSWKDHLA-JKIFEVAISA-N 2 1 357.420 3.094 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281537 502296558 /nfs/dbraw/zinc/29/65/58/502296558.db2.gz UHNBYDUIPPNAGE-QUCCMNQESA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281537 502296564 /nfs/dbraw/zinc/29/65/64/502296564.db2.gz UHNBYDUIPPNAGE-QUCCMNQESA-N 2 1 361.530 3.063 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465541902 502299879 /nfs/dbraw/zinc/29/98/79/502299879.db2.gz MQWPFFYLHJITBT-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291158 502301374 /nfs/dbraw/zinc/30/13/74/502301374.db2.gz IRCMEUJCYVGFGK-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291158 502301378 /nfs/dbraw/zinc/30/13/78/502301378.db2.gz IRCMEUJCYVGFGK-OALUTQOASA-N 2 1 361.530 3.063 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472293003 502303128 /nfs/dbraw/zinc/30/31/28/502303128.db2.gz MYVVOQZRFJNMAO-PKOBYXMFSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000472293003 502303132 /nfs/dbraw/zinc/30/31/32/502303132.db2.gz MYVVOQZRFJNMAO-PKOBYXMFSA-N 2 1 361.530 3.009 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C/C=C/c2ccncc2)[C@H](c2ccccc2)C1 ZINC000486930008 502307256 /nfs/dbraw/zinc/30/72/56/502307256.db2.gz QNLVLKCLCRBZAQ-HVPBSWBLSA-N 2 1 350.510 3.063 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+]1C ZINC000487039314 502337625 /nfs/dbraw/zinc/33/76/25/502337625.db2.gz BEHJCHCQUDHNMK-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000465683794 502346178 /nfs/dbraw/zinc/34/61/78/502346178.db2.gz ABRXSLVJTFSQBZ-WERVVEIQSA-N 2 1 364.578 3.154 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1)Nc1cccc(F)c1 ZINC000479699729 502348460 /nfs/dbraw/zinc/34/84/60/502348460.db2.gz KXDMFQQAUSVHSE-QGZVFWFLSA-N 2 1 362.493 3.049 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465758090 502373995 /nfs/dbraw/zinc/37/39/95/502373995.db2.gz PDUIBSBLLFKXDL-HMXCVIKNSA-N 2 1 372.557 3.338 20 0 FGADMP CO[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C(F)(F)F ZINC000469321237 502374711 /nfs/dbraw/zinc/37/47/11/502374711.db2.gz HDHZWBJAEWDUNE-XMTFNYHQSA-N 2 1 356.432 3.454 20 0 FGADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@H]1C ZINC000462270792 502375258 /nfs/dbraw/zinc/37/52/58/502375258.db2.gz VTYXDKJIQJNVGY-IEBWSBKVSA-N 2 1 373.545 3.004 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)C[C@H]1C ZINC000462270792 502375265 /nfs/dbraw/zinc/37/52/65/502375265.db2.gz VTYXDKJIQJNVGY-IEBWSBKVSA-N 2 1 373.545 3.004 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000465768595 502378742 /nfs/dbraw/zinc/37/87/42/502378742.db2.gz CQMQSEXHWLGAMI-PZJWPPBQSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000472566584 502386148 /nfs/dbraw/zinc/38/61/48/502386148.db2.gz CYYUSYMJIPJJJV-SVFBPWRDSA-N 3 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000472566584 502386153 /nfs/dbraw/zinc/38/61/53/502386153.db2.gz CYYUSYMJIPJJJV-SVFBPWRDSA-N 3 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000472566584 502386158 /nfs/dbraw/zinc/38/61/58/502386158.db2.gz CYYUSYMJIPJJJV-SVFBPWRDSA-N 3 1 351.579 3.072 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846397 502401640 /nfs/dbraw/zinc/40/16/40/502401640.db2.gz NWIQEFGQGSRTKV-OALUTQOASA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465846397 502401647 /nfs/dbraw/zinc/40/16/47/502401647.db2.gz NWIQEFGQGSRTKV-OALUTQOASA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465846397 502401651 /nfs/dbraw/zinc/40/16/51/502401651.db2.gz NWIQEFGQGSRTKV-OALUTQOASA-N 2 1 360.546 3.023 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000469434692 502415986 /nfs/dbraw/zinc/41/59/86/502415986.db2.gz SFBDUMWTKQPBQX-ACRUOGEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000469434692 502415992 /nfs/dbraw/zinc/41/59/92/502415992.db2.gz SFBDUMWTKQPBQX-ACRUOGEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000469434692 502415996 /nfs/dbraw/zinc/41/59/96/502415996.db2.gz SFBDUMWTKQPBQX-ACRUOGEOSA-N 2 1 372.557 3.069 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1cccc(C)c1 ZINC000465953364 502439122 /nfs/dbraw/zinc/43/91/22/502439122.db2.gz ADUGBGYKXUIIEX-FPOVZHCZSA-N 2 1 374.573 3.156 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568876 502466303 /nfs/dbraw/zinc/46/63/03/502466303.db2.gz MYAUXHMDRQCBEP-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@H]1C ZINC000483699163 502467868 /nfs/dbraw/zinc/46/78/68/502467868.db2.gz ZBNDUNDKBTWDIL-DMUMMCEESA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C ZINC000483767199 502487187 /nfs/dbraw/zinc/48/71/87/502487187.db2.gz GAYRENQBBYCMKW-YZGWKJHDSA-N 2 1 360.546 3.112 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473016205 502500851 /nfs/dbraw/zinc/50/08/51/502500851.db2.gz VPUVUYCZYLQBFZ-LJQANCHMSA-N 2 1 374.573 3.318 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000588711987 506317854 /nfs/dbraw/zinc/31/78/54/506317854.db2.gz WOGUBZMVSSVAQV-HDICACEKSA-N 2 1 373.541 3.063 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000588711987 506317859 /nfs/dbraw/zinc/31/78/59/506317859.db2.gz WOGUBZMVSSVAQV-HDICACEKSA-N 2 1 373.541 3.063 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000487893869 502559003 /nfs/dbraw/zinc/55/90/03/502559003.db2.gz ILHBWKATKOBIOF-JOCHJYFZSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000469832656 502561561 /nfs/dbraw/zinc/56/15/61/502561561.db2.gz USCSYCVINAPZSP-HDAAZOAOSA-N 2 1 357.542 3.371 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000469851549 502568337 /nfs/dbraw/zinc/56/83/37/502568337.db2.gz YWERBRJLUVIZLP-TZMCWYRMSA-N 2 1 363.303 3.112 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000476752100 502578046 /nfs/dbraw/zinc/57/80/46/502578046.db2.gz CLXZKBNZNZNCNZ-YESZJQIVSA-N 2 1 361.530 3.401 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1C[NH+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000487965685 502582320 /nfs/dbraw/zinc/58/23/20/502582320.db2.gz WWBQYHOVNDEQSF-JCGIZDLHSA-N 2 1 351.922 3.037 20 0 FGADMP COc1ccc2c(c1)[C@H](N[C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000484148595 502584774 /nfs/dbraw/zinc/58/47/74/502584774.db2.gz USTDFWCCOAVALF-WWPVKYPJSA-N 2 1 366.505 3.155 20 0 FGADMP COCC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(OC(F)F)cc32)C[C@@H]1C ZINC000462824991 502588567 /nfs/dbraw/zinc/58/85/67/502588567.db2.gz FMBNOSUDZPRUTG-AWEZNQCLSA-N 2 1 365.424 3.302 20 0 FGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163885 502590228 /nfs/dbraw/zinc/59/02/28/502590228.db2.gz QOSVZUKGKWJUHS-FGZHOGPDSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163885 502590235 /nfs/dbraw/zinc/59/02/35/502590235.db2.gz QOSVZUKGKWJUHS-FGZHOGPDSA-N 2 1 354.494 3.373 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523814 502596888 /nfs/dbraw/zinc/59/68/88/502596888.db2.gz AYRCELGLBLXDLV-ZSXPUABSSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523814 502596891 /nfs/dbraw/zinc/59/68/91/502596891.db2.gz AYRCELGLBLXDLV-ZSXPUABSSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000466523814 502596895 /nfs/dbraw/zinc/59/68/95/502596895.db2.gz AYRCELGLBLXDLV-ZSXPUABSSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C[NH+]1CCCCC1 ZINC000484374615 502634338 /nfs/dbraw/zinc/63/43/38/502634338.db2.gz REWGAKFWLLUJOT-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000476978933 502640121 /nfs/dbraw/zinc/64/01/21/502640121.db2.gz HIJTWXBPTMBIEE-WBAXXEDZSA-N 2 1 369.912 3.174 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)Cc1cccc(Br)c1 ZINC000488181131 502649402 /nfs/dbraw/zinc/64/94/02/502649402.db2.gz JBMQWDJLSBVIND-UHFFFAOYSA-N 2 1 366.303 3.229 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)Cc1cccc(Br)c1 ZINC000488181131 502649410 /nfs/dbraw/zinc/64/94/10/502649410.db2.gz JBMQWDJLSBVIND-UHFFFAOYSA-N 2 1 366.303 3.229 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@H](C)C1 ZINC000480722884 502653178 /nfs/dbraw/zinc/65/31/78/502653178.db2.gz QNTGHSFYMGXOOO-HLAWJBBLSA-N 2 1 353.595 3.224 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480903344 502701180 /nfs/dbraw/zinc/70/11/80/502701180.db2.gz DFRMZIZSRKFLHZ-JOCHJYFZSA-N 2 1 365.521 3.220 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000477192579 502703854 /nfs/dbraw/zinc/70/38/54/502703854.db2.gz KJUGEVBFXZMGJP-NJDAHSKKSA-N 2 1 372.557 3.069 20 0 FGADMP CC[C@H]1C[C@H](C)C[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000466906923 502721619 /nfs/dbraw/zinc/72/16/19/502721619.db2.gz ADPIFYAHXYQWGP-RXVVDRJESA-N 2 1 357.542 3.150 20 0 FGADMP CC[C@H]1C[C@H](C)C[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000466906923 502721623 /nfs/dbraw/zinc/72/16/23/502721623.db2.gz ADPIFYAHXYQWGP-RXVVDRJESA-N 2 1 357.542 3.150 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487329 502729784 /nfs/dbraw/zinc/72/97/84/502729784.db2.gz ZIWRNIRDTCLWPM-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000470310753 502732404 /nfs/dbraw/zinc/73/24/04/502732404.db2.gz WIOCMFSNOVNSOX-ZCNNSNEGSA-N 2 1 370.541 3.071 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000463248382 502735154 /nfs/dbraw/zinc/73/51/54/502735154.db2.gz OUZJQYAHWRXOAD-QFIPXVFZSA-N 2 1 359.533 3.439 20 0 FGADMP Clc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484774104 502736510 /nfs/dbraw/zinc/73/65/10/502736510.db2.gz DWOARTXIDYKFMW-GUDVDZBRSA-N 2 1 352.906 3.246 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000463262981 502740034 /nfs/dbraw/zinc/74/00/34/502740034.db2.gz BNNFLENKJAGAKG-RMVXJAJNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000463262981 502740039 /nfs/dbraw/zinc/74/00/39/502740039.db2.gz BNNFLENKJAGAKG-RMVXJAJNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1C ZINC000463262981 502740043 /nfs/dbraw/zinc/74/00/43/502740043.db2.gz BNNFLENKJAGAKG-RMVXJAJNSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CN(C)Cc1ccccc1 ZINC000488536958 502744371 /nfs/dbraw/zinc/74/43/71/502744371.db2.gz XRWLMGDQLQMSBD-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536958 502744374 /nfs/dbraw/zinc/74/43/74/502744374.db2.gz XRWLMGDQLQMSBD-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH+](C)Cc1ccccc1 ZINC000488536958 502744378 /nfs/dbraw/zinc/74/43/78/502744378.db2.gz XRWLMGDQLQMSBD-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000488536958 502744389 /nfs/dbraw/zinc/74/43/89/502744389.db2.gz XRWLMGDQLQMSBD-KNQAVFIVSA-N 2 1 365.521 3.145 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923973 502778478 /nfs/dbraw/zinc/77/84/78/502778478.db2.gz VPBLQMKWIQFDBH-NVXWUHKLSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923973 502778481 /nfs/dbraw/zinc/77/84/81/502778481.db2.gz VPBLQMKWIQFDBH-NVXWUHKLSA-N 2 1 351.922 3.151 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)C[C@H]1C ZINC000484923973 502778483 /nfs/dbraw/zinc/77/84/83/502778483.db2.gz VPBLQMKWIQFDBH-NVXWUHKLSA-N 2 1 351.922 3.151 20 0 FGADMP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000474009941 502778501 /nfs/dbraw/zinc/77/85/01/502778501.db2.gz MPFPNZHFLJNAFV-GGPKGHCWSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[NH+]1CC=CCC1 ZINC000474031873 502784863 /nfs/dbraw/zinc/78/48/63/502784863.db2.gz ORCGPRXTGUBFGQ-IBGZPJMESA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000474031873 502784869 /nfs/dbraw/zinc/78/48/69/502784869.db2.gz ORCGPRXTGUBFGQ-IBGZPJMESA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NCC[N@@H+]1CC=CCC1 ZINC000474031873 502784872 /nfs/dbraw/zinc/78/48/72/502784872.db2.gz ORCGPRXTGUBFGQ-IBGZPJMESA-N 2 1 370.541 3.122 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)CC1 ZINC000588774124 506334518 /nfs/dbraw/zinc/33/45/18/506334518.db2.gz PVZPDXJLOHCIKE-GOSISDBHSA-N 2 1 361.505 3.028 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467144355 502800934 /nfs/dbraw/zinc/80/09/34/502800934.db2.gz ODAGAWCLOHUGJG-UHFFFAOYSA-N 2 1 354.498 3.416 20 0 FGADMP CC[NH+]1CCN(C(=O)NCc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000500875500 502884096 /nfs/dbraw/zinc/88/40/96/502884096.db2.gz LFMRNJSESNWDIC-RTBURBONSA-N 2 1 372.557 3.012 20 0 FGADMP C[C@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152632 502888887 /nfs/dbraw/zinc/88/88/87/502888887.db2.gz YHJHNQIIMZXVQX-SLFFLAALSA-N 2 1 364.578 3.014 20 0 FGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006844 502910705 /nfs/dbraw/zinc/91/07/05/502910705.db2.gz ITAKBEJFKPKUDI-UXHICEINSA-N 2 1 353.595 3.318 20 0 FGADMP C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501036830 502918020 /nfs/dbraw/zinc/91/80/20/502918020.db2.gz ZJVLWTHXVYSNHJ-UHFFFAOYSA-N 2 1 374.435 3.147 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ccc(O)cc3C2)CC1 ZINC000509532597 502927719 /nfs/dbraw/zinc/92/77/19/502927719.db2.gz LOQKIMNIFOLEIZ-UHFFFAOYSA-N 2 1 351.494 3.092 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568562 502937235 /nfs/dbraw/zinc/93/72/35/502937235.db2.gz MITDXJXSMNUFNB-WNRNVDISSA-N 2 1 364.534 3.223 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000497387552 502945356 /nfs/dbraw/zinc/94/53/56/502945356.db2.gz KNSFOGLUZZYYDY-QESAQDPVSA-N 2 1 360.542 3.491 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493905 502952097 /nfs/dbraw/zinc/95/20/97/502952097.db2.gz DLPZZRGLMZTVIQ-MJGOQNOKSA-N 2 1 368.525 3.107 20 0 FGADMP C[N@H+]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](c2ccccc2)C1 ZINC000497417606 502954056 /nfs/dbraw/zinc/95/40/56/502954056.db2.gz ODNLVOSBJUMSET-FGZHOGPDSA-N 2 1 363.505 3.110 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558978 502965892 /nfs/dbraw/zinc/96/58/92/502965892.db2.gz FPXAORRATXYQSP-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1)c1ccccc1 ZINC000513558978 502965897 /nfs/dbraw/zinc/96/58/97/502965897.db2.gz FPXAORRATXYQSP-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558978 502965902 /nfs/dbraw/zinc/96/59/02/502965902.db2.gz FPXAORRATXYQSP-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513558978 502965904 /nfs/dbraw/zinc/96/59/04/502965904.db2.gz FPXAORRATXYQSP-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP c1ccc(N2CC[NH+](CCCN3CCC[N@H+](C4CCCC4)CC3)CC2)cc1 ZINC000509697576 502969708 /nfs/dbraw/zinc/96/97/08/502969708.db2.gz KRFVIZDXCCPEDD-UHFFFAOYSA-N 2 1 370.585 3.149 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505703225 502970064 /nfs/dbraw/zinc/97/00/64/502970064.db2.gz MMASCMYCBMGPFC-MOPGFXCFSA-N 2 1 362.562 3.101 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)cc1 ZINC000505819547 502992636 /nfs/dbraw/zinc/99/26/36/502992636.db2.gz NOJHGSPRRBUWRS-UHFFFAOYSA-N 2 1 363.465 3.173 20 0 FGADMP C[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000501456298 503013448 /nfs/dbraw/zinc/01/34/48/503013448.db2.gz SXVRYZSQBZZWQT-LJQANCHMSA-N 2 1 363.933 3.468 20 0 FGADMP C[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000501456298 503013451 /nfs/dbraw/zinc/01/34/51/503013451.db2.gz SXVRYZSQBZZWQT-LJQANCHMSA-N 2 1 363.933 3.468 20 0 FGADMP Cc1[nH+]ccn1CCNC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000497707628 503020911 /nfs/dbraw/zinc/02/09/11/503020911.db2.gz ADIKKTADYIBZTN-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535669 503032326 /nfs/dbraw/zinc/03/23/26/503032326.db2.gz XARAPVSAAMPLCW-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000489785836 503034422 /nfs/dbraw/zinc/03/44/22/503034422.db2.gz ADFZVMHSGYEKJS-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1 ZINC000513882224 503041142 /nfs/dbraw/zinc/04/11/42/503041142.db2.gz DKWBOYIPUFKDQQ-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(C(F)(F)F)c1 ZINC000513882224 503041145 /nfs/dbraw/zinc/04/11/45/503041145.db2.gz DKWBOYIPUFKDQQ-UHFFFAOYSA-N 2 1 371.447 3.080 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835707 503051281 /nfs/dbraw/zinc/05/12/81/503051281.db2.gz KEEDKSPZOZTHNG-OPYAIIAOSA-N 2 1 372.557 3.302 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344554 503095888 /nfs/dbraw/zinc/09/58/88/503095888.db2.gz COARARJJRFQMCC-QUCCMNQESA-N 2 1 370.541 3.092 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000582660105 506352431 /nfs/dbraw/zinc/35/24/31/506352431.db2.gz BAAWSKTWKOMUFW-PTFNDRIASA-N 2 1 356.510 3.434 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000510551421 503142724 /nfs/dbraw/zinc/14/27/24/503142724.db2.gz UIGREECTKPXOGV-MSOLQXFVSA-N 2 1 364.578 3.203 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)CCC[NH3+])cc1 ZINC000582666284 506354496 /nfs/dbraw/zinc/35/44/96/506354496.db2.gz NVVSFPTUWQOOMM-UHFFFAOYSA-N 2 1 350.466 3.329 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000502281575 503173863 /nfs/dbraw/zinc/17/38/63/503173863.db2.gz YGDIYQWSXBZTNW-QFIPXVFZSA-N 2 1 371.569 3.263 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000506889016 503190199 /nfs/dbraw/zinc/19/01/99/503190199.db2.gz CYNJEASVTOVBCW-UHFFFAOYSA-N 2 1 354.420 3.366 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506927805 503196346 /nfs/dbraw/zinc/19/63/46/503196346.db2.gz BKYQRVBGAJVVBZ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927805 503196348 /nfs/dbraw/zinc/19/63/48/503196348.db2.gz BKYQRVBGAJVVBZ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927805 503196352 /nfs/dbraw/zinc/19/63/52/503196352.db2.gz BKYQRVBGAJVVBZ-VAMGGRTRSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000514869259 503215614 /nfs/dbraw/zinc/21/56/14/503215614.db2.gz KJLWUGGDNQRHSZ-SFHVURJKSA-N 2 1 365.521 3.350 20 0 FGADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CCCCCC1 ZINC000498605690 503224429 /nfs/dbraw/zinc/22/44/29/503224429.db2.gz JHQFUCOGDBVMCN-FQEVSTJZSA-N 2 1 357.542 3.422 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000507090688 503228151 /nfs/dbraw/zinc/22/81/51/503228151.db2.gz VDLTYOKUNBODFZ-VQTJNVASSA-N 2 1 360.546 3.061 20 0 FGADMP C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815588 503231964 /nfs/dbraw/zinc/23/19/64/503231964.db2.gz RLWGGGLXYKJTHH-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815588 503231966 /nfs/dbraw/zinc/23/19/66/503231966.db2.gz RLWGGGLXYKJTHH-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490815588 503231969 /nfs/dbraw/zinc/23/19/69/503231969.db2.gz RLWGGGLXYKJTHH-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490815588 503231972 /nfs/dbraw/zinc/23/19/72/503231972.db2.gz RLWGGGLXYKJTHH-DENIHFKCSA-N 2 1 365.521 3.145 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)[C@H]2CCCCN12 ZINC000510999104 503233152 /nfs/dbraw/zinc/23/31/52/503233152.db2.gz ORCXAENYSFCWGU-OQEHDIDLSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490962965 503252460 /nfs/dbraw/zinc/25/24/60/503252460.db2.gz WWQPTYKXKNUUGZ-CVDCTZTESA-N 2 1 351.538 3.340 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000490971089 503254345 /nfs/dbraw/zinc/25/43/45/503254345.db2.gz FDQQZKRTGUZBME-INIZCTEOSA-N 2 1 364.559 3.087 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000502806348 503277724 /nfs/dbraw/zinc/27/77/24/503277724.db2.gz CWHYLICFPLOPKU-HXUWFJFHSA-N 2 1 366.594 3.310 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000502863658 503292521 /nfs/dbraw/zinc/29/25/21/503292521.db2.gz XWWDAPBLYVGIBQ-LJQANCHMSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507464384 503303068 /nfs/dbraw/zinc/30/30/68/503303068.db2.gz XJSUNZIUIIRRQA-QHAWAJNXSA-N 2 1 350.510 3.302 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[NH+](C)CC[C@H]2C)cc1 ZINC000502912250 503306595 /nfs/dbraw/zinc/30/65/95/503306595.db2.gz LVGMTMMSRZXGAC-RBUKOAKNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@H+](C)CC[C@H]2C)cc1 ZINC000502912250 503306597 /nfs/dbraw/zinc/30/65/97/503306597.db2.gz LVGMTMMSRZXGAC-RBUKOAKNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000502912250 503306599 /nfs/dbraw/zinc/30/65/99/503306599.db2.gz LVGMTMMSRZXGAC-RBUKOAKNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@@H]3C)cc2)C1 ZINC000502937574 503311063 /nfs/dbraw/zinc/31/10/63/503311063.db2.gz WBHKKVHQKZSBJM-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@H+](C)CC[C@@H]3C)cc2)C1 ZINC000502937574 503311066 /nfs/dbraw/zinc/31/10/66/503311066.db2.gz WBHKKVHQKZSBJM-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)CC[C@@H]3C)cc2)C1 ZINC000502937574 503311068 /nfs/dbraw/zinc/31/10/68/503311068.db2.gz WBHKKVHQKZSBJM-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cc3ccccc3n(C)c2=O)C1 ZINC000491473176 503311680 /nfs/dbraw/zinc/31/16/80/503311680.db2.gz ZZFWFNLZINJLFM-LAUBAEHRSA-N 2 1 361.489 3.464 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C[C@H]1C ZINC000499088043 503331016 /nfs/dbraw/zinc/33/10/16/503331016.db2.gz CNMFPBJOPCSZNZ-IKGGRYGDSA-N 2 1 364.559 3.009 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCCCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000503064035 503339737 /nfs/dbraw/zinc/33/97/37/503339737.db2.gz PELYHAWHJJIVQM-PKOBYXMFSA-N 2 1 372.538 3.065 20 0 FGADMP C[C@H]1CCN(CC(=O)NCCCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000503064035 503339740 /nfs/dbraw/zinc/33/97/40/503339740.db2.gz PELYHAWHJJIVQM-PKOBYXMFSA-N 2 1 372.538 3.065 20 0 FGADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000507664327 503342293 /nfs/dbraw/zinc/34/22/93/503342293.db2.gz LZVDRLUYMWHDTP-LJQANCHMSA-N 2 1 361.555 3.294 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114948 503350113 /nfs/dbraw/zinc/35/01/13/503350113.db2.gz MCAJGXMJADHLSN-LJQANCHMSA-N 2 1 355.526 3.020 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114948 503350115 /nfs/dbraw/zinc/35/01/15/503350115.db2.gz MCAJGXMJADHLSN-LJQANCHMSA-N 2 1 355.526 3.020 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)N2CCCc3ccccc32)C1 ZINC000503114948 503350119 /nfs/dbraw/zinc/35/01/19/503350119.db2.gz MCAJGXMJADHLSN-LJQANCHMSA-N 2 1 355.526 3.020 20 0 FGADMP COC(=O)c1cccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000492510958 503372202 /nfs/dbraw/zinc/37/22/02/503372202.db2.gz AHVKGALECDPWCJ-UWJYYQICSA-N 2 1 352.478 3.473 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000492580724 503375404 /nfs/dbraw/zinc/37/54/04/503375404.db2.gz PJVGFCOOCZWOTB-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000492580724 503375406 /nfs/dbraw/zinc/37/54/06/503375406.db2.gz PJVGFCOOCZWOTB-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000582698069 506371475 /nfs/dbraw/zinc/37/14/75/506371475.db2.gz XUENEESLQFALDT-LJQANCHMSA-N 2 1 370.541 3.261 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000582698069 506371480 /nfs/dbraw/zinc/37/14/80/506371480.db2.gz XUENEESLQFALDT-LJQANCHMSA-N 2 1 370.541 3.261 20 0 FGADMP C[C@H](C(=O)N1CC[NH+](C2CCC2)CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000499626873 503446617 /nfs/dbraw/zinc/44/66/17/503446617.db2.gz OYYNZYMOEHMJRL-LJQANCHMSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2[nH]c3ccccc3c2Cl)CC1 ZINC000516209316 503471500 /nfs/dbraw/zinc/47/15/00/503471500.db2.gz AYCDSEZWUNCGLJ-UHFFFAOYSA-N 2 1 369.856 3.220 20 0 FGADMP C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000494000581 503472138 /nfs/dbraw/zinc/47/21/38/503472138.db2.gz SLVDMWWCAAFOOY-DYESRHJHSA-N 2 1 351.494 3.141 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2c1C ZINC000508374079 503484275 /nfs/dbraw/zinc/48/42/75/503484275.db2.gz BVWHFHVPPVXYSZ-UONOGXRCSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3C[C@H](C)[N@H+](C)C[C@H]3C)c2c1C ZINC000508374079 503484277 /nfs/dbraw/zinc/48/42/77/503484277.db2.gz BVWHFHVPPVXYSZ-UONOGXRCSA-N 2 1 373.570 3.433 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000503978547 503503112 /nfs/dbraw/zinc/50/31/12/503503112.db2.gz QONBEHLPWZWZHY-KDURUIRLSA-N 2 1 354.583 3.115 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494281138 503518735 /nfs/dbraw/zinc/51/87/35/503518735.db2.gz BTUSQEYDFKWCNE-HMFYCAOWSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494281140 503519055 /nfs/dbraw/zinc/51/90/55/503519055.db2.gz BTUSQEYDFKWCNE-KGVIQGDOSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494281140 503519057 /nfs/dbraw/zinc/51/90/57/503519057.db2.gz BTUSQEYDFKWCNE-KGVIQGDOSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494281140 503519060 /nfs/dbraw/zinc/51/90/60/503519060.db2.gz BTUSQEYDFKWCNE-KGVIQGDOSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000516560947 503536775 /nfs/dbraw/zinc/53/67/75/503536775.db2.gz XDAAPYOWTUDXJM-QWFCFKBJSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)sc1Br ZINC000512398655 503537251 /nfs/dbraw/zinc/53/72/51/503537251.db2.gz BWFZDJYPPJMADW-ZDUSSCGKSA-N 2 1 374.392 3.496 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2cccc(Br)c2)C1 ZINC000494505061 503553059 /nfs/dbraw/zinc/55/30/59/503553059.db2.gz JFBUONQDZYIWRO-AHEZYBDSSA-N 2 1 366.347 3.346 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504325288 503556268 /nfs/dbraw/zinc/55/62/68/503556268.db2.gz OUWSMFPEHXITGM-RTWAWAEBSA-N 2 1 370.541 3.099 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613477 503595890 /nfs/dbraw/zinc/59/58/90/503595890.db2.gz RUOQMTKDVMHWNU-UEQSERJNSA-N 2 1 364.533 3.480 20 0 FGADMP CC(C[NH+]1CCC[C@H](OCC2CC2)C1)C[N@H+]1CCC[C@H](OCC2CC2)C1 ZINC000494704629 503597096 /nfs/dbraw/zinc/59/70/96/503597096.db2.gz SVJFEACUVHXWEO-VXKWHMMOSA-N 2 1 364.574 3.405 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1)CC(C)C ZINC000509029864 503624380 /nfs/dbraw/zinc/62/43/80/503624380.db2.gz IVBMZBNDUHUIAY-UHFFFAOYSA-N 2 1 361.530 3.448 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@H]([NH3+])c2ccccc2C)[NH+]2CCCC2)cc1 ZINC000516967468 503633999 /nfs/dbraw/zinc/63/39/99/503633999.db2.gz ONXNEAPBLPVPKP-LEWJYISDSA-N 2 1 351.494 3.257 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000516971772 503634520 /nfs/dbraw/zinc/63/45/20/503634520.db2.gz JNMUHXLYSPHUBO-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000516971772 503634526 /nfs/dbraw/zinc/63/45/26/503634526.db2.gz JNMUHXLYSPHUBO-QIJUGHKUSA-N 2 1 365.521 3.316 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512810035 503636947 /nfs/dbraw/zinc/63/69/47/503636947.db2.gz OZMHSWLOIVHQMG-DLBZAZTESA-N 2 1 360.452 3.484 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000512810035 503636948 /nfs/dbraw/zinc/63/69/48/503636948.db2.gz OZMHSWLOIVHQMG-DLBZAZTESA-N 2 1 360.452 3.484 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000517025445 503646628 /nfs/dbraw/zinc/64/66/28/503646628.db2.gz SNTUURXGESPZRD-MSOLQXFVSA-N 2 1 366.571 3.106 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000517029834 503647944 /nfs/dbraw/zinc/64/79/44/503647944.db2.gz CWFRHVJGIUEVBI-CQSZACIVSA-N 2 1 366.431 3.414 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660016 503664509 /nfs/dbraw/zinc/66/45/09/503664509.db2.gz SHQPEUJZJKLZGG-HKUYNNGSSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660016 503664515 /nfs/dbraw/zinc/66/45/15/503664515.db2.gz SHQPEUJZJKLZGG-HKUYNNGSSA-N 2 1 362.514 3.160 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)C[C@@H]1C ZINC000536660016 503664522 /nfs/dbraw/zinc/66/45/22/503664522.db2.gz SHQPEUJZJKLZGG-HKUYNNGSSA-N 2 1 362.514 3.160 20 0 FGADMP CC[N@H+](CCC1CC[NH+](Cc2nc3ccc(OC)nc3[nH]2)CC1)CC1CC1 ZINC000546224550 503677251 /nfs/dbraw/zinc/67/72/51/503677251.db2.gz BTSAFGCWOHLIEZ-UHFFFAOYSA-N 2 1 371.529 3.301 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2nc3ccc(OC)nc3[nH]2)CC1)CC1CC1 ZINC000546224550 503677253 /nfs/dbraw/zinc/67/72/53/503677253.db2.gz BTSAFGCWOHLIEZ-UHFFFAOYSA-N 2 1 371.529 3.301 20 0 FGADMP CCCC[C@H](CC)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000546225105 503677755 /nfs/dbraw/zinc/67/77/55/503677755.db2.gz DVKATTDBFIHPDG-IBGZPJMESA-N 2 1 351.579 3.469 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000536681031 503678822 /nfs/dbraw/zinc/67/88/22/503678822.db2.gz JLTLTJORUSOTNN-FPOVZHCZSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000536681031 503678829 /nfs/dbraw/zinc/67/88/29/503678829.db2.gz JLTLTJORUSOTNN-FPOVZHCZSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000536681031 503678832 /nfs/dbraw/zinc/67/88/32/503678832.db2.gz JLTLTJORUSOTNN-FPOVZHCZSA-N 2 1 358.574 3.133 20 0 FGADMP COCC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169607 503695585 /nfs/dbraw/zinc/69/55/85/503695585.db2.gz FLBIOZKHQSXDDX-QKLQHJQFSA-N 2 1 352.494 3.382 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000527190903 503711959 /nfs/dbraw/zinc/71/19/59/503711959.db2.gz QMRCKFFGCSCNTE-INIZCTEOSA-N 2 1 352.544 3.205 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000543299872 503716370 /nfs/dbraw/zinc/71/63/70/503716370.db2.gz FBGQNBITVBAZAK-SVFBPWRDSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000543351731 503735177 /nfs/dbraw/zinc/73/51/77/503735177.db2.gz KQTIQDKGMFJJBK-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000536833990 503735668 /nfs/dbraw/zinc/73/56/68/503735668.db2.gz RWBCXJMVJHSKKA-QIJUGHKUSA-N 2 1 369.553 3.420 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CCCO2 ZINC000536846547 503737959 /nfs/dbraw/zinc/73/79/59/503737959.db2.gz PORUJNRALZZJIR-NJDAHSKKSA-N 2 1 358.526 3.485 20 0 FGADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1COc2ccccc2O1 ZINC000543396973 503753213 /nfs/dbraw/zinc/75/32/13/503753213.db2.gz SLAIRMNAHNLENJ-LJQANCHMSA-N 2 1 364.449 3.238 20 0 FGADMP Cc1cc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c2cccnc2)ccc1F ZINC000543404670 503756819 /nfs/dbraw/zinc/75/68/19/503756819.db2.gz PYYUUAJWSZDWNA-IRLDBZIGSA-N 2 1 371.500 3.445 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000517593265 503780618 /nfs/dbraw/zinc/78/06/18/503780618.db2.gz MEQMOPRQXGKARL-HZPDHXFCSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@@H](CCc1ccccc1)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000540505932 503797937 /nfs/dbraw/zinc/79/79/37/503797937.db2.gz OLRQJGGRTNTFAQ-FQEVSTJZSA-N 2 1 371.569 3.131 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)CCCC2)CC1 ZINC000540593714 503828037 /nfs/dbraw/zinc/82/80/37/503828037.db2.gz OFSPNXHCPSWRRN-ZCNNSNEGSA-N 2 1 362.558 3.347 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000533408771 503834368 /nfs/dbraw/zinc/83/43/68/503834368.db2.gz HLXLAOBRDKAEGJ-UHFFFAOYSA-N 2 1 361.574 3.124 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000533408011 503835085 /nfs/dbraw/zinc/83/50/85/503835085.db2.gz JHGQCNOWYAYSCL-UHFFFAOYSA-N 2 1 355.885 3.470 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000533408011 503835088 /nfs/dbraw/zinc/83/50/88/503835088.db2.gz JHGQCNOWYAYSCL-UHFFFAOYSA-N 2 1 355.885 3.470 20 0 FGADMP C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431519 503842719 /nfs/dbraw/zinc/84/27/19/503842719.db2.gz OTNWQZPBVWXQST-KBPBESRZSA-N 2 1 372.340 3.444 20 0 FGADMP C[N@@H+](CCC(=O)NCCC[NH+]1CCc2ccccc2C1)C1CCCCC1 ZINC000546723159 503852588 /nfs/dbraw/zinc/85/25/88/503852588.db2.gz QYGDSOLYNRNXSB-UHFFFAOYSA-N 2 1 357.542 3.206 20 0 FGADMP C[NH+](CCC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CCCCC1 ZINC000546723159 503852593 /nfs/dbraw/zinc/85/25/93/503852593.db2.gz QYGDSOLYNRNXSB-UHFFFAOYSA-N 2 1 357.542 3.206 20 0 FGADMP C[NH+](CCC(=O)NCCC[N@H+]1CCc2ccccc2C1)C1CCCCC1 ZINC000546723159 503852599 /nfs/dbraw/zinc/85/25/99/503852599.db2.gz QYGDSOLYNRNXSB-UHFFFAOYSA-N 2 1 357.542 3.206 20 0 FGADMP C[N@@H+](CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000546722573 503852885 /nfs/dbraw/zinc/85/28/85/503852885.db2.gz MHAMGFXYJZVUNT-UHFFFAOYSA-N 2 1 357.542 3.422 20 0 FGADMP C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527654393 503877771 /nfs/dbraw/zinc/87/77/71/503877771.db2.gz WDPSKLBGFKZROF-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527654393 503877774 /nfs/dbraw/zinc/87/77/74/503877774.db2.gz WDPSKLBGFKZROF-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C2CCCC2)CC1 ZINC000527654393 503877776 /nfs/dbraw/zinc/87/77/76/503877776.db2.gz WDPSKLBGFKZROF-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP CC[C@H](C)c1ccc(NC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530237022 503886857 /nfs/dbraw/zinc/88/68/57/503886857.db2.gz BDLSJGYODWLAID-LAUBAEHRSA-N 2 1 373.541 3.229 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cs2)o1 ZINC000530239511 503889236 /nfs/dbraw/zinc/88/92/36/503889236.db2.gz GNPOHZVFAMMUEQ-QGZVFWFLSA-N 2 1 361.511 3.302 20 0 FGADMP Brc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530240656 503889386 /nfs/dbraw/zinc/88/93/86/503889386.db2.gz MWQSISREHUFDKD-CQSZACIVSA-N 2 1 359.333 3.101 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC000530336528 503929821 /nfs/dbraw/zinc/92/98/21/503929821.db2.gz CVSFWOKMVFJKPB-PBHICJAKSA-N 2 1 368.905 3.295 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Cl)c2)OCO3)[C@H](C)C1 ZINC000530336528 503929826 /nfs/dbraw/zinc/92/98/26/503929826.db2.gz CVSFWOKMVFJKPB-PBHICJAKSA-N 2 1 368.905 3.295 20 0 FGADMP CC[N@@H+](CCC1CC1)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000546933039 503930304 /nfs/dbraw/zinc/93/03/04/503930304.db2.gz YHRSUVNGQRIGLW-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CCC1CC1)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000546933039 503930309 /nfs/dbraw/zinc/93/03/09/503930309.db2.gz YHRSUVNGQRIGLW-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CCC1CC1)CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1 ZINC000546933039 503930313 /nfs/dbraw/zinc/93/03/13/503930313.db2.gz YHRSUVNGQRIGLW-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(F)ccc2F)c2cccs2)CC1 ZINC000518248598 503935696 /nfs/dbraw/zinc/93/56/96/503935696.db2.gz RZDDJKFHYZJCPU-QGZVFWFLSA-N 2 1 351.466 3.105 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614849 503974715 /nfs/dbraw/zinc/97/47/15/503974715.db2.gz DUVLNNGWJNMDDA-YOEHRIQHSA-N 2 1 356.470 3.110 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614849 503974718 /nfs/dbraw/zinc/97/47/18/503974718.db2.gz DUVLNNGWJNMDDA-YOEHRIQHSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614849 503974721 /nfs/dbraw/zinc/97/47/21/503974721.db2.gz DUVLNNGWJNMDDA-YOEHRIQHSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@@H]1C ZINC000537614849 503974724 /nfs/dbraw/zinc/97/47/24/503974724.db2.gz DUVLNNGWJNMDDA-YOEHRIQHSA-N 2 1 356.470 3.110 20 0 FGADMP CC1(C)C[N@@H+](C2(CNC3CC[NH+](CC4CC4)CC3)CCCCC2)CCO1 ZINC000544035092 503981976 /nfs/dbraw/zinc/98/19/76/503981976.db2.gz XYAVUZCQIDXHDH-UHFFFAOYSA-N 2 1 363.590 3.264 20 0 FGADMP CC1(C)C[N@H+](C2(CNC3CC[NH+](CC4CC4)CC3)CCCCC2)CCO1 ZINC000544035092 503981978 /nfs/dbraw/zinc/98/19/78/503981978.db2.gz XYAVUZCQIDXHDH-UHFFFAOYSA-N 2 1 363.590 3.264 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCCN1c1cccnn1 ZINC000530619092 504029118 /nfs/dbraw/zinc/02/91/18/504029118.db2.gz XUZSEGJJTKRUIE-HXUWFJFHSA-N 2 1 367.541 3.193 20 0 FGADMP CCC[N@H+](Cc1ncc(C)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000534106484 504042046 /nfs/dbraw/zinc/04/20/46/504042046.db2.gz ARVSRIAFCUIJGG-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CCC[N@@H+](Cc1ncc(C)cn1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000534106484 504042050 /nfs/dbraw/zinc/04/20/50/504042050.db2.gz ARVSRIAFCUIJGG-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)C[C@@H]1C ZINC000530662416 504043331 /nfs/dbraw/zinc/04/33/31/504043331.db2.gz ZYHKVRVNGGRIFT-XWFZLUIHSA-N 2 1 373.541 3.067 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000530664979 504045549 /nfs/dbraw/zinc/04/55/49/504045549.db2.gz WNEPMEBTHCBEGZ-AWEZNQCLSA-N 2 1 360.454 3.050 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1)CC1CC1 ZINC000537849811 504065396 /nfs/dbraw/zinc/06/53/96/504065396.db2.gz SUVYLCOBDDJUCN-RTBURBONSA-N 2 1 363.590 3.325 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000547387771 504087300 /nfs/dbraw/zinc/08/73/00/504087300.db2.gz ZBYXPXDAJPVTEA-LEWJYISDSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000547387771 504087302 /nfs/dbraw/zinc/08/73/02/504087302.db2.gz ZBYXPXDAJPVTEA-LEWJYISDSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000547387771 504087305 /nfs/dbraw/zinc/08/73/05/504087305.db2.gz ZBYXPXDAJPVTEA-LEWJYISDSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000547387773 504087523 /nfs/dbraw/zinc/08/75/23/504087523.db2.gz ZBYXPXDAJPVTEA-RTWAWAEBSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000547387773 504087524 /nfs/dbraw/zinc/08/75/24/504087524.db2.gz ZBYXPXDAJPVTEA-RTWAWAEBSA-N 2 1 374.573 3.173 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000547387773 504087527 /nfs/dbraw/zinc/08/75/27/504087527.db2.gz ZBYXPXDAJPVTEA-RTWAWAEBSA-N 2 1 374.573 3.173 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2CCS(=O)(=O)CC2)cc1 ZINC000537950750 504093123 /nfs/dbraw/zinc/09/31/23/504093123.db2.gz KRHHREUEHRYOGK-HNNXBMFYSA-N 2 1 361.511 3.046 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863887 504111585 /nfs/dbraw/zinc/11/15/85/504111585.db2.gz NEAMWBIPNNOFBF-KNQAVFIVSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863887 504111591 /nfs/dbraw/zinc/11/15/91/504111591.db2.gz NEAMWBIPNNOFBF-KNQAVFIVSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863887 504111595 /nfs/dbraw/zinc/11/15/95/504111595.db2.gz NEAMWBIPNNOFBF-KNQAVFIVSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863887 504111600 /nfs/dbraw/zinc/11/16/00/504111600.db2.gz NEAMWBIPNNOFBF-KNQAVFIVSA-N 2 1 368.521 3.243 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000534328776 504112040 /nfs/dbraw/zinc/11/20/40/504112040.db2.gz NSYRFZBETGHDOQ-ZDUSSCGKSA-N 2 1 355.885 3.072 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895670 504122519 /nfs/dbraw/zinc/12/25/19/504122519.db2.gz YDGJEOJSSGZOKO-FQEVSTJZSA-N 2 1 357.473 3.067 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895670 504122524 /nfs/dbraw/zinc/12/25/24/504122524.db2.gz YDGJEOJSSGZOKO-FQEVSTJZSA-N 2 1 357.473 3.067 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)c1ccccc1 ZINC000530895670 504122530 /nfs/dbraw/zinc/12/25/30/504122530.db2.gz YDGJEOJSSGZOKO-FQEVSTJZSA-N 2 1 357.473 3.067 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000541534876 504167248 /nfs/dbraw/zinc/16/72/48/504167248.db2.gz ZTGLKCSAXFZDQO-QFIPXVFZSA-N 2 1 362.477 3.448 20 0 FGADMP Cc1[nH]nc2ncc(C[N@@H+]3CC[C@H](n4c(C)[nH+]c5c4CCCC5)C3)cc12 ZINC000547690921 504188167 /nfs/dbraw/zinc/18/81/67/504188167.db2.gz CBNCIWLJICKKJM-INIZCTEOSA-N 2 1 350.470 3.097 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3CC[C@H](n4c(C)[nH+]c5c4CCCC5)C3)cc12 ZINC000547690921 504188170 /nfs/dbraw/zinc/18/81/70/504188170.db2.gz CBNCIWLJICKKJM-INIZCTEOSA-N 2 1 350.470 3.097 20 0 FGADMP C[C@@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605290 504189055 /nfs/dbraw/zinc/18/90/55/504189055.db2.gz JTURZJYRSNXYJB-ZWKOTPCHSA-N 2 1 374.529 3.108 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000528369776 504192374 /nfs/dbraw/zinc/19/23/74/504192374.db2.gz VMELNZIBPVSEKY-GASCZTMLSA-N 2 1 371.447 3.422 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000528369776 504192380 /nfs/dbraw/zinc/19/23/80/504192380.db2.gz VMELNZIBPVSEKY-GASCZTMLSA-N 2 1 371.447 3.422 20 0 FGADMP CC(C)(C)[C@H]1CC[N@@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@H]1O ZINC000541618159 504201791 /nfs/dbraw/zinc/20/17/91/504201791.db2.gz LBLAHZOBHIZDRE-JVSBHGNQSA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@H]1O ZINC000541618159 504201795 /nfs/dbraw/zinc/20/17/95/504201795.db2.gz LBLAHZOBHIZDRE-JVSBHGNQSA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@H]1O ZINC000541618159 504201800 /nfs/dbraw/zinc/20/18/00/504201800.db2.gz LBLAHZOBHIZDRE-JVSBHGNQSA-N 2 1 368.606 3.224 20 0 FGADMP c1csc(C[N@H+]2CCC[C@@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)c1 ZINC000544678829 504213684 /nfs/dbraw/zinc/21/36/84/504213684.db2.gz ZNMNBTNKHGBNGE-KRWDZBQOSA-N 2 1 371.554 3.274 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@@H](CNc3cc[nH+]c(N4CCCCC4)n3)C2)c1 ZINC000544678829 504213688 /nfs/dbraw/zinc/21/36/88/504213688.db2.gz ZNMNBTNKHGBNGE-KRWDZBQOSA-N 2 1 371.554 3.274 20 0 FGADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH+](C(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000544683972 504216997 /nfs/dbraw/zinc/21/69/97/504216997.db2.gz ZEDLDVNYCWXDGQ-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683972 504217005 /nfs/dbraw/zinc/21/70/05/504217005.db2.gz ZEDLDVNYCWXDGQ-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683972 504217011 /nfs/dbraw/zinc/21/70/11/504217011.db2.gz ZEDLDVNYCWXDGQ-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)NCc2coc(S(C)(=O)=O)c2)cc1 ZINC000528437373 504224169 /nfs/dbraw/zinc/22/41/69/504224169.db2.gz JQWYXSZVMOSFDA-ZDUSSCGKSA-N 2 1 359.451 3.028 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@H](C)CC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000538388353 504230439 /nfs/dbraw/zinc/23/04/39/504230439.db2.gz XGUHXQCVOHOJKZ-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000519534725 504244968 /nfs/dbraw/zinc/24/49/68/504244968.db2.gz BDJOYLDMAVTURZ-BEFAXECRSA-N 2 1 371.550 3.337 20 0 FGADMP C[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000519534725 504244972 /nfs/dbraw/zinc/24/49/72/504244972.db2.gz BDJOYLDMAVTURZ-BEFAXECRSA-N 2 1 371.550 3.337 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H](Cc3ccccc3)C(N)=O)cc2)C1 ZINC000541799265 504257989 /nfs/dbraw/zinc/25/79/89/504257989.db2.gz TYRPQQWCWVWMSW-XMSQKQJNSA-N 2 1 365.521 3.105 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)c2c[nH+]ccc2N(C)C)c2ccccc2)CC1 ZINC000541842222 504272509 /nfs/dbraw/zinc/27/25/09/504272509.db2.gz YOXFBFBGQWUVIC-OAQYLSRUSA-N 2 1 366.509 3.351 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+](C)C ZINC000519655605 504291118 /nfs/dbraw/zinc/29/11/18/504291118.db2.gz DODSFEHKPHJNFU-KPFFTGBYSA-N 2 1 372.513 3.181 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955520 504292357 /nfs/dbraw/zinc/29/23/57/504292357.db2.gz LNZHZMVYGDATPZ-MRXNPFEDSA-N 2 1 374.451 3.095 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000534955520 504292360 /nfs/dbraw/zinc/29/23/60/504292360.db2.gz LNZHZMVYGDATPZ-MRXNPFEDSA-N 2 1 374.451 3.095 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000538649170 504314616 /nfs/dbraw/zinc/31/46/16/504314616.db2.gz CDBVKNKJRRGBOY-UHFFFAOYSA-N 2 1 366.509 3.064 20 0 FGADMP Cc1cc(CCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)s1 ZINC000531475774 504321859 /nfs/dbraw/zinc/32/18/59/504321859.db2.gz YNJYLFDHLHUNFE-UHFFFAOYSA-N 2 1 372.538 3.473 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000519797208 504342366 /nfs/dbraw/zinc/34/23/66/504342366.db2.gz RJYPAACCUJLAOM-QWFCFKBJSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000519797208 504342368 /nfs/dbraw/zinc/34/23/68/504342368.db2.gz RJYPAACCUJLAOM-QWFCFKBJSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000519797208 504342370 /nfs/dbraw/zinc/34/23/70/504342370.db2.gz RJYPAACCUJLAOM-QWFCFKBJSA-N 2 1 360.546 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)cn1 ZINC000548162333 504353215 /nfs/dbraw/zinc/35/32/15/504353215.db2.gz YTJOLYUNEQPSLK-YOEHRIQHSA-N 2 1 364.946 3.436 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@H]1c1cccs1 ZINC000531724408 504404918 /nfs/dbraw/zinc/40/49/18/504404918.db2.gz OSHKVLIGGFWAQX-JXFKEZNVSA-N 2 1 371.554 3.180 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@H]1c1cccs1 ZINC000531724408 504404926 /nfs/dbraw/zinc/40/49/26/504404926.db2.gz OSHKVLIGGFWAQX-JXFKEZNVSA-N 2 1 371.554 3.180 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338236 504406473 /nfs/dbraw/zinc/40/64/73/504406473.db2.gz ZEOYWNYGVMBKCH-RTBURBONSA-N 2 1 369.509 3.065 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)COc3ccc(C)cc3)C1)CCCC2 ZINC000548338236 504406479 /nfs/dbraw/zinc/40/64/79/504406479.db2.gz ZEOYWNYGVMBKCH-RTBURBONSA-N 2 1 369.509 3.065 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093869 504410101 /nfs/dbraw/zinc/41/01/01/504410101.db2.gz FOHGHYPITHCQSR-PKOBYXMFSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093869 504410104 /nfs/dbraw/zinc/41/01/04/504410104.db2.gz FOHGHYPITHCQSR-PKOBYXMFSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093869 504410106 /nfs/dbraw/zinc/41/01/06/504410106.db2.gz FOHGHYPITHCQSR-PKOBYXMFSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520114763 504414318 /nfs/dbraw/zinc/41/43/18/504414318.db2.gz HCQFVWKKFKCUGW-OTWHNJEPSA-N 2 1 374.573 3.304 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000520178251 504427778 /nfs/dbraw/zinc/42/77/78/504427778.db2.gz WTDLZVWEZHXCTQ-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000520178251 504427781 /nfs/dbraw/zinc/42/77/81/504427781.db2.gz WTDLZVWEZHXCTQ-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000520178251 504427787 /nfs/dbraw/zinc/42/77/87/504427787.db2.gz WTDLZVWEZHXCTQ-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cnc(C3CC3)s2)c2cccs2)CC1 ZINC000531885538 504459005 /nfs/dbraw/zinc/45/90/05/504459005.db2.gz PQEKACIPJVKPJL-MRXNPFEDSA-N 2 1 362.568 3.160 20 0 FGADMP Cc1cc(F)ccc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000548488792 504463810 /nfs/dbraw/zinc/46/38/10/504463810.db2.gz FJGHHTOSYTVZEL-ROUUACIJSA-N 2 1 364.505 3.224 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000539147289 504487053 /nfs/dbraw/zinc/48/70/53/504487053.db2.gz QDNDMJPHCOUVMZ-ZRNYENFQSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000539147289 504487055 /nfs/dbraw/zinc/48/70/55/504487055.db2.gz QDNDMJPHCOUVMZ-ZRNYENFQSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CCCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000539146502 504487364 /nfs/dbraw/zinc/48/73/64/504487364.db2.gz FQCPREXQSXRARD-IYBDPMFKSA-N 2 1 366.468 3.309 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CCCCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000539146502 504487370 /nfs/dbraw/zinc/48/73/70/504487370.db2.gz FQCPREXQSXRARD-IYBDPMFKSA-N 2 1 366.468 3.309 20 0 FGADMP C[C@H](CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542435838 504489488 /nfs/dbraw/zinc/48/94/88/504489488.db2.gz PGVXHTKMUPTWQO-CTNGQTDRSA-N 2 1 372.557 3.215 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980887 504493295 /nfs/dbraw/zinc/49/32/95/504493295.db2.gz BVDAQLRFKDGGCC-GZBFAFLISA-N 2 1 353.894 3.138 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980887 504493303 /nfs/dbraw/zinc/49/33/03/504493303.db2.gz BVDAQLRFKDGGCC-GZBFAFLISA-N 2 1 353.894 3.138 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000542478732 504506775 /nfs/dbraw/zinc/50/67/75/504506775.db2.gz OWXHLDUTDAEUMA-DENIHFKCSA-N 2 1 359.558 3.080 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000539316638 504528178 /nfs/dbraw/zinc/52/81/78/504528178.db2.gz CHVBQBQYZUEMLV-SFHVURJKSA-N 2 1 351.922 3.171 20 0 FGADMP COCCOc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1OC ZINC000535813280 504553506 /nfs/dbraw/zinc/55/35/06/504553506.db2.gz ZTKUCERLKLUZHV-UHFFFAOYSA-N 2 1 364.530 3.273 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)C1CCOCC1 ZINC000532193032 504568894 /nfs/dbraw/zinc/56/88/94/504568894.db2.gz HWYYHWBBLHREHE-QFIPXVFZSA-N 2 1 359.558 3.119 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000532214246 504575403 /nfs/dbraw/zinc/57/54/03/504575403.db2.gz ARPDSLFWYQDBEE-UXHICEINSA-N 2 1 370.566 3.407 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710977 504584110 /nfs/dbraw/zinc/58/41/10/504584110.db2.gz RUQGHUHNWAAKJY-DBXWQHBBSA-N 2 1 372.557 3.194 20 0 FGADMP C[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1cccs1 ZINC000542715950 504586242 /nfs/dbraw/zinc/58/62/42/504586242.db2.gz LGQAWUBWYVHIQJ-FOIQADDNSA-N 2 1 372.538 3.023 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1cccs1 ZINC000542715950 504586246 /nfs/dbraw/zinc/58/62/46/504586246.db2.gz LGQAWUBWYVHIQJ-FOIQADDNSA-N 2 1 372.538 3.023 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000521061072 504640775 /nfs/dbraw/zinc/64/07/75/504640775.db2.gz XCOGTOYFFWSSCH-OALUTQOASA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000521061072 504640779 /nfs/dbraw/zinc/64/07/79/504640779.db2.gz XCOGTOYFFWSSCH-OALUTQOASA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061072 504640783 /nfs/dbraw/zinc/64/07/83/504640783.db2.gz XCOGTOYFFWSSCH-OALUTQOASA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061072 504640786 /nfs/dbraw/zinc/64/07/86/504640786.db2.gz XCOGTOYFFWSSCH-OALUTQOASA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000521167216 504668360 /nfs/dbraw/zinc/66/83/60/504668360.db2.gz HCOICWPOUIJIML-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000521252972 504694733 /nfs/dbraw/zinc/69/47/33/504694733.db2.gz RQICDEDYGWSHBT-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000521252972 504694739 /nfs/dbraw/zinc/69/47/39/504694739.db2.gz RQICDEDYGWSHBT-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000521252972 504694747 /nfs/dbraw/zinc/69/47/47/504694747.db2.gz RQICDEDYGWSHBT-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000539819382 504701420 /nfs/dbraw/zinc/70/14/20/504701420.db2.gz CMCKTTLHSJYZIM-HNNXBMFYSA-N 2 1 372.465 3.146 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000539819382 504701423 /nfs/dbraw/zinc/70/14/23/504701423.db2.gz CMCKTTLHSJYZIM-HNNXBMFYSA-N 2 1 372.465 3.146 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000539849264 504716333 /nfs/dbraw/zinc/71/63/33/504716333.db2.gz QMYCNIUJNIVJNE-HNNXBMFYSA-N 2 1 360.420 3.360 20 0 FGADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000539857855 504719972 /nfs/dbraw/zinc/71/99/72/504719972.db2.gz AJNUUBXDHAHZKR-DSKINZAPSA-N 2 1 357.542 3.379 20 0 FGADMP CCCOc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cc1 ZINC000539861365 504721004 /nfs/dbraw/zinc/72/10/04/504721004.db2.gz NETNOSJCUYPHTI-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccccc3Cl)CC2)CC1 ZINC000552856707 504775537 /nfs/dbraw/zinc/77/55/37/504775537.db2.gz AEMRUEYAFHTQNQ-UHFFFAOYSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000556053787 504788336 /nfs/dbraw/zinc/78/83/36/504788336.db2.gz XTZTURCEXPBQLX-VXKWHMMOSA-N 2 1 371.569 3.447 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCCCC2)C[C@H]1c1ccccc1 ZINC000556053787 504788339 /nfs/dbraw/zinc/78/83/39/504788339.db2.gz XTZTURCEXPBQLX-VXKWHMMOSA-N 2 1 371.569 3.447 20 0 FGADMP C[N@H+]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](c2ccccc2)C1 ZINC000549343508 504796351 /nfs/dbraw/zinc/79/63/51/504796351.db2.gz CKTNHMWWZSHBIZ-FGZHOGPDSA-N 2 1 363.505 3.110 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000556194596 504816628 /nfs/dbraw/zinc/81/66/28/504816628.db2.gz WDDFXFGFZJJCKA-IRXDYDNUSA-N 2 1 363.303 3.071 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCn2cc(Br)cn2)C[C@H]1c1ccccc1 ZINC000556194596 504816631 /nfs/dbraw/zinc/81/66/31/504816631.db2.gz WDDFXFGFZJJCKA-IRXDYDNUSA-N 2 1 363.303 3.071 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000549472087 504831962 /nfs/dbraw/zinc/83/19/62/504831962.db2.gz QGTUWAKIDFKYGB-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CCN1CC[C@H]([NH2+]CCn2cc[nH+]c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549480801 504833464 /nfs/dbraw/zinc/83/34/64/504833464.db2.gz CIUDTWPMGQGRLW-FUHWJXTLSA-N 2 1 352.404 3.034 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(OC[C@@H]4CCCO4)cc3)C2)CC1 ZINC000565356105 504864412 /nfs/dbraw/zinc/86/44/12/504864412.db2.gz TYOJBJWJYZLIDO-UNMCSNQZSA-N 2 1 358.526 3.408 20 0 FGADMP Ic1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000556406606 504866032 /nfs/dbraw/zinc/86/60/32/504866032.db2.gz LYCWOYUYUWKNPC-UHFFFAOYSA-N 2 1 370.278 3.255 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497888 504889038 /nfs/dbraw/zinc/88/90/38/504889038.db2.gz QJBHFRYFEJMOPP-HJNYFJLDSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497888 504889041 /nfs/dbraw/zinc/88/90/41/504889041.db2.gz QJBHFRYFEJMOPP-HJNYFJLDSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@H]1C ZINC000556497888 504889042 /nfs/dbraw/zinc/88/90/42/504889042.db2.gz QJBHFRYFEJMOPP-HJNYFJLDSA-N 2 1 359.558 3.082 20 0 FGADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448646 504917879 /nfs/dbraw/zinc/91/78/79/504917879.db2.gz JADDPRZASXKQJB-ZGXWSNOMSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@H]1c1ccccc1 ZINC000559754197 504923069 /nfs/dbraw/zinc/92/30/69/504923069.db2.gz WQVHKPABFYDYEN-UXHICEINSA-N 2 1 367.541 3.362 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@H]1c1ccccc1 ZINC000559754197 504923071 /nfs/dbraw/zinc/92/30/71/504923071.db2.gz WQVHKPABFYDYEN-UXHICEINSA-N 2 1 367.541 3.362 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000559767056 504925064 /nfs/dbraw/zinc/92/50/64/504925064.db2.gz NIPVZZPUUVZRIX-UYAOXDASSA-N 2 1 350.934 3.488 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000553741035 504996505 /nfs/dbraw/zinc/99/65/05/504996505.db2.gz YIPLLOIXESTJOC-UHFFFAOYSA-N 2 1 369.509 3.470 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2)C[C@H](C)O1 ZINC000550327540 505023234 /nfs/dbraw/zinc/02/32/34/505023234.db2.gz DCTIFKZSTTVGHV-IYBDPMFKSA-N 2 1 364.449 3.196 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc4c[nH+]cn4c3)c2)C[C@H](C)O1 ZINC000550327540 505023236 /nfs/dbraw/zinc/02/32/36/505023236.db2.gz DCTIFKZSTTVGHV-IYBDPMFKSA-N 2 1 364.449 3.196 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)CC1 ZINC000560265082 505033375 /nfs/dbraw/zinc/03/33/75/505033375.db2.gz DGCKGDCGJUNROJ-VXKWHMMOSA-N 2 1 357.542 3.362 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000563199084 505074349 /nfs/dbraw/zinc/07/43/49/505074349.db2.gz RHZRFKBCLAKIBZ-QZTJIDSGSA-N 2 1 357.542 3.079 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000550621733 505075212 /nfs/dbraw/zinc/07/52/12/505075212.db2.gz FKJDPWRONCTAAP-RTWAWAEBSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CS(C)(=O)=O)cc2)C[C@H]1c1ccccc1 ZINC000550621733 505075213 /nfs/dbraw/zinc/07/52/13/505075213.db2.gz FKJDPWRONCTAAP-RTWAWAEBSA-N 2 1 372.534 3.156 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000563207186 505075519 /nfs/dbraw/zinc/07/55/19/505075519.db2.gz WBQXWTRAIBMTCE-DENIHFKCSA-N 2 1 371.569 3.450 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)cs1 ZINC000563214803 505077914 /nfs/dbraw/zinc/07/79/14/505077914.db2.gz AGVPQWGTHLUPLX-JQHSSLGASA-N 2 1 370.522 3.116 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2)cs1 ZINC000563214803 505077920 /nfs/dbraw/zinc/07/79/20/505077920.db2.gz AGVPQWGTHLUPLX-JQHSSLGASA-N 2 1 370.522 3.116 20 0 FGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000554072039 505081287 /nfs/dbraw/zinc/08/12/87/505081287.db2.gz OZAVCZNIJFFLEW-XUVXKRRUSA-N 2 1 357.542 3.298 20 0 FGADMP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566170686 505103562 /nfs/dbraw/zinc/10/35/62/505103562.db2.gz XQAFFPDYISTHGT-MJGOQNOKSA-N 2 1 363.571 3.374 20 0 FGADMP Cc1ccsc1C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291676 505103873 /nfs/dbraw/zinc/10/38/73/505103873.db2.gz GPBGKEXAAVFBIE-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291676 505103877 /nfs/dbraw/zinc/10/38/77/505103877.db2.gz GPBGKEXAAVFBIE-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557291676 505103880 /nfs/dbraw/zinc/10/38/80/505103880.db2.gz GPBGKEXAAVFBIE-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557291676 505103883 /nfs/dbraw/zinc/10/38/83/505103883.db2.gz GPBGKEXAAVFBIE-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291672 505104055 /nfs/dbraw/zinc/10/40/55/505104055.db2.gz GPBGKEXAAVFBIE-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291672 505104057 /nfs/dbraw/zinc/10/40/57/505104057.db2.gz GPBGKEXAAVFBIE-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557291672 505104062 /nfs/dbraw/zinc/10/40/62/505104062.db2.gz GPBGKEXAAVFBIE-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557291672 505104067 /nfs/dbraw/zinc/10/40/67/505104067.db2.gz GPBGKEXAAVFBIE-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)C[C@H]1c1ccccc1 ZINC000550819514 505108415 /nfs/dbraw/zinc/10/84/15/505108415.db2.gz QXKMRJCYCXFTJN-STWLZBDKSA-N 2 1 356.535 3.490 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)C[C@H]1c1ccccc1 ZINC000550819514 505108419 /nfs/dbraw/zinc/10/84/19/505108419.db2.gz QXKMRJCYCXFTJN-STWLZBDKSA-N 2 1 356.535 3.490 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550819513 505108756 /nfs/dbraw/zinc/10/87/56/505108756.db2.gz QXKMRJCYCXFTJN-BPYKYCOYSA-N 2 1 356.535 3.490 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550819513 505108759 /nfs/dbraw/zinc/10/87/59/505108759.db2.gz QXKMRJCYCXFTJN-BPYKYCOYSA-N 2 1 356.535 3.490 20 0 FGADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000550830901 505110702 /nfs/dbraw/zinc/11/07/02/505110702.db2.gz LRANWQWCCWORNA-JKLQHZFJSA-N 2 1 371.569 3.429 20 0 FGADMP Cc1ccnc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000560514160 505110870 /nfs/dbraw/zinc/11/08/70/505110870.db2.gz SMTDRYINHVFMTB-UGKGYDQZSA-N 2 1 352.526 3.419 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000566208351 505111840 /nfs/dbraw/zinc/11/18/40/505111840.db2.gz OPPXTJWFZBFFQT-LEWJYISDSA-N 2 1 369.553 3.278 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000560524501 505114952 /nfs/dbraw/zinc/11/49/52/505114952.db2.gz DFLANTLPYIIMKQ-PCCBWWKXSA-N 2 1 369.553 3.313 20 0 FGADMP OCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000566228653 505118808 /nfs/dbraw/zinc/11/88/08/505118808.db2.gz GTUBDGYBZQHRCL-QFIPXVFZSA-N 2 1 362.517 3.303 20 0 FGADMP OCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000566228653 505118811 /nfs/dbraw/zinc/11/88/11/505118811.db2.gz GTUBDGYBZQHRCL-QFIPXVFZSA-N 2 1 362.517 3.303 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458593 505141029 /nfs/dbraw/zinc/14/10/29/505141029.db2.gz YIWTYDHAFFIMHE-QUCCMNQESA-N 2 1 369.509 3.491 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458593 505141031 /nfs/dbraw/zinc/14/10/31/505141031.db2.gz YIWTYDHAFFIMHE-QUCCMNQESA-N 2 1 369.509 3.491 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500421 505158086 /nfs/dbraw/zinc/15/80/86/505158086.db2.gz DPDXAQUQYWBHAP-KKSFZXQISA-N 2 1 364.493 3.289 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@H]3C3CCCC3)CC2)CC1 ZINC000557564333 505169006 /nfs/dbraw/zinc/16/90/06/505169006.db2.gz HDZFEMYXHKWUCO-NRFANRHFSA-N 2 1 361.574 3.364 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000566432837 505174792 /nfs/dbraw/zinc/17/47/92/505174792.db2.gz KBDURBDDTMBUFX-QGZVFWFLSA-N 2 1 373.541 3.069 20 0 FGADMP CN(C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1Cc2ccccc2C1 ZINC000563612017 505192474 /nfs/dbraw/zinc/19/24/74/505192474.db2.gz JFIPSWJENGBBSO-QHCPKHFHSA-N 2 1 350.506 3.377 20 0 FGADMP CN(C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1Cc2ccccc2C1 ZINC000563612017 505192477 /nfs/dbraw/zinc/19/24/77/505192477.db2.gz JFIPSWJENGBBSO-QHCPKHFHSA-N 2 1 350.506 3.377 20 0 FGADMP CC(C)Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)[NH+](C)C)cc1 ZINC000554550051 505204732 /nfs/dbraw/zinc/20/47/32/505204732.db2.gz ATFMPNFADVHJFT-PZJWPPBQSA-N 2 1 374.573 3.129 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@H]1c1cccs1 ZINC000554699568 505243343 /nfs/dbraw/zinc/24/33/43/505243343.db2.gz WDRPVRMQRNQKDD-KSSFIOAISA-N 2 1 357.514 3.450 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@H]1c1cccs1 ZINC000554699568 505243347 /nfs/dbraw/zinc/24/33/47/505243347.db2.gz WDRPVRMQRNQKDD-KSSFIOAISA-N 2 1 357.514 3.450 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000554741828 505254128 /nfs/dbraw/zinc/25/41/28/505254128.db2.gz PHFPGCWDYBMLSX-PHNZBSFLSA-N 2 1 369.553 3.134 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1cnc2n1CCCC2 ZINC000551595461 505263676 /nfs/dbraw/zinc/26/36/76/505263676.db2.gz DAOITCVXESFAHP-UHFFFAOYSA-N 2 1 369.513 3.059 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551595461 505263678 /nfs/dbraw/zinc/26/36/78/505263678.db2.gz DAOITCVXESFAHP-UHFFFAOYSA-N 2 1 369.513 3.059 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000551595461 505263680 /nfs/dbraw/zinc/26/36/80/505263680.db2.gz DAOITCVXESFAHP-UHFFFAOYSA-N 2 1 369.513 3.059 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc2ccc(F)cc12 ZINC000566857023 505292450 /nfs/dbraw/zinc/29/24/50/505292450.db2.gz NBMZZOYPOGEGFM-INIZCTEOSA-N 2 1 361.461 3.060 20 0 FGADMP Cc1cc(CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564138817 505335426 /nfs/dbraw/zinc/33/54/26/505335426.db2.gz LTVQQNADPXWDHF-GOSISDBHSA-N 2 1 373.545 3.054 20 0 FGADMP Cc1cc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564138817 505335431 /nfs/dbraw/zinc/33/54/31/505335431.db2.gz LTVQQNADPXWDHF-GOSISDBHSA-N 2 1 373.545 3.054 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000567052338 505350046 /nfs/dbraw/zinc/35/00/46/505350046.db2.gz WITXPMIUXXKWQF-KBXCAEBGSA-N 2 1 364.440 3.150 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000551988317 505364134 /nfs/dbraw/zinc/36/41/34/505364134.db2.gz MNZILAPLJHLNKP-HOTGVXAUSA-N 2 1 368.481 3.295 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000558380415 505371614 /nfs/dbraw/zinc/37/16/14/505371614.db2.gz QELISQYWVSDDEB-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380415 505371618 /nfs/dbraw/zinc/37/16/18/505371618.db2.gz QELISQYWVSDDEB-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380415 505371620 /nfs/dbraw/zinc/37/16/20/505371620.db2.gz QELISQYWVSDDEB-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000555210153 505380418 /nfs/dbraw/zinc/38/04/18/505380418.db2.gz YUXKETZRRPPINN-PMACEKPBSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000555210156 505380696 /nfs/dbraw/zinc/38/06/96/505380696.db2.gz YUXKETZRRPPINN-WOJBJXKFSA-N 2 1 372.557 3.023 20 0 FGADMP c1cn2c(n1)C[C@@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000552065579 505388246 /nfs/dbraw/zinc/38/82/46/505388246.db2.gz FXGXCSFLLRWHOF-CMOCDZPBSA-N 2 1 364.537 3.478 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344367 505390268 /nfs/dbraw/zinc/39/02/68/505390268.db2.gz PZKWDFZOAWHYGJ-FUHWJXTLSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344367 505390272 /nfs/dbraw/zinc/39/02/72/505390272.db2.gz PZKWDFZOAWHYGJ-FUHWJXTLSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@@H]1C ZINC000564344367 505390275 /nfs/dbraw/zinc/39/02/75/505390275.db2.gz PZKWDFZOAWHYGJ-FUHWJXTLSA-N 2 1 359.514 3.413 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567232248 505402846 /nfs/dbraw/zinc/40/28/46/505402846.db2.gz KDINXXCNNGBNMD-WQDJSCAQSA-N 2 1 359.514 3.142 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567232248 505402849 /nfs/dbraw/zinc/40/28/49/505402849.db2.gz KDINXXCNNGBNMD-WQDJSCAQSA-N 2 1 359.514 3.142 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552245007 505440113 /nfs/dbraw/zinc/44/01/13/505440113.db2.gz QBXXLPKLOHHXCO-ACRUOGEOSA-N 2 1 352.526 3.478 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552245007 505440115 /nfs/dbraw/zinc/44/01/15/505440115.db2.gz QBXXLPKLOHHXCO-ACRUOGEOSA-N 2 1 352.526 3.478 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558096 505456965 /nfs/dbraw/zinc/45/69/65/505456965.db2.gz GEESCFMPFXLBPW-QZTJIDSGSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@H](c1ccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)cc1)[NH+]1CCOCC1 ZINC000555558096 505456970 /nfs/dbraw/zinc/45/69/70/505456970.db2.gz GEESCFMPFXLBPW-QZTJIDSGSA-N 2 1 359.514 3.283 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]Cc3ccccn3)C3(C2)CCOCC3)cc1 ZINC000555612376 505474809 /nfs/dbraw/zinc/47/48/09/505474809.db2.gz LUXPCMUMXISQGM-HXUWFJFHSA-N 2 1 351.494 3.100 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3ccccn3)C3(C2)CCOCC3)cc1 ZINC000555612376 505474810 /nfs/dbraw/zinc/47/48/10/505474810.db2.gz LUXPCMUMXISQGM-HXUWFJFHSA-N 2 1 351.494 3.100 20 0 FGADMP CCc1nc2cc(CNC(=O)NCC[N@H+](CC)C3CC3)ccc2n1C1CC1 ZINC000558793484 505494564 /nfs/dbraw/zinc/49/45/64/505494564.db2.gz MECBIVXJPXFKKV-UHFFFAOYSA-N 2 1 369.513 3.217 20 0 FGADMP CC1(C)C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000555712744 505497081 /nfs/dbraw/zinc/49/70/81/505497081.db2.gz WTFWFRHWIZGBRV-SFTDATJTSA-N 2 1 369.553 3.409 20 0 FGADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000564727808 505503764 /nfs/dbraw/zinc/50/37/64/505503764.db2.gz WGOWONBLDUYCPY-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP CN(C)C(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000564727808 505503767 /nfs/dbraw/zinc/50/37/67/505503767.db2.gz WGOWONBLDUYCPY-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc2ccccc2c1 ZINC000567699727 505541310 /nfs/dbraw/zinc/54/13/10/505541310.db2.gz ZPASFWXIUWODDQ-CBNMVNINSA-N 2 1 354.494 3.186 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]21 ZINC000564987691 505565598 /nfs/dbraw/zinc/56/55/98/505565598.db2.gz GTLLROFKNNWDGV-GKKDWNQVSA-N 2 1 368.308 3.158 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@@H]21 ZINC000564987691 505565600 /nfs/dbraw/zinc/56/56/00/505565600.db2.gz GTLLROFKNNWDGV-GKKDWNQVSA-N 2 1 368.308 3.158 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000564987741 505565772 /nfs/dbraw/zinc/56/57/72/505565772.db2.gz HWXLQXUEUYWYHN-ULAMTYHHSA-N 2 1 365.521 3.465 20 0 FGADMP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000564993308 505566179 /nfs/dbraw/zinc/56/61/79/505566179.db2.gz SHQJHTKSGAMLOL-FQOCKNPQSA-N 2 1 369.553 3.407 20 0 FGADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000567871608 505569527 /nfs/dbraw/zinc/56/95/27/505569527.db2.gz XAGLZBRQUZRFSJ-UHFFFAOYSA-N 2 1 355.873 3.272 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000589208511 506485267 /nfs/dbraw/zinc/48/52/67/506485267.db2.gz AQNXATKEUJAHMY-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000589217235 506488924 /nfs/dbraw/zinc/48/89/24/506488924.db2.gz DTADQHCYEUZDIX-QUCCMNQESA-N 2 1 360.546 3.161 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000582958697 506509229 /nfs/dbraw/zinc/50/92/29/506509229.db2.gz SFFMGTZKZASVOS-BMFZPTHFSA-N 2 1 355.404 3.060 20 0 FGADMP CCCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1OC ZINC000603517471 506539480 /nfs/dbraw/zinc/53/94/80/506539480.db2.gz YGFKQGYNMBPOKW-IBGZPJMESA-N 2 1 362.514 3.217 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593729 506568978 /nfs/dbraw/zinc/56/89/78/506568978.db2.gz XQNYUYYADBNWNN-PKOBYXMFSA-N 2 1 358.530 3.043 20 0 FGADMP CCCc1ccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000589834474 506656768 /nfs/dbraw/zinc/65/67/68/506656768.db2.gz HRVJQKQSSSBUOF-UHFFFAOYSA-N 2 1 365.521 3.317 20 0 FGADMP CC[N@@H+](CC(=O)Nc1ccc(OC)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999397 506701202 /nfs/dbraw/zinc/70/12/02/506701202.db2.gz FYHOTKKPTPJUQT-UHFFFAOYSA-N 2 1 355.482 3.217 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604176592 506737142 /nfs/dbraw/zinc/73/71/42/506737142.db2.gz COHVDJDHMZIFEE-FQEVSTJZSA-N 2 1 369.513 3.108 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118608 506785844 /nfs/dbraw/zinc/78/58/44/506785844.db2.gz PQYABLBOLHDMTF-HXUWFJFHSA-N 2 1 371.569 3.272 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000600135556 506797645 /nfs/dbraw/zinc/79/76/45/506797645.db2.gz JAKMTZDGJNSAOJ-UHFFFAOYSA-N 2 1 353.466 3.144 20 0 FGADMP COC(=O)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000600185953 506829318 /nfs/dbraw/zinc/82/93/18/506829318.db2.gz VTIXYMCERSJNJE-AVRDEDQJSA-N 2 1 366.505 3.402 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000600197594 506837905 /nfs/dbraw/zinc/83/79/05/506837905.db2.gz SABUGFIMPWVXFZ-KXBFYZLASA-N 2 1 370.497 3.375 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604815942 506953572 /nfs/dbraw/zinc/95/35/72/506953572.db2.gz BOACZZVPXSMVRJ-XDNAFOTISA-N 2 1 354.583 3.018 20 0 FGADMP Cc1ccc(C)c(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000590786945 506957240 /nfs/dbraw/zinc/95/72/40/506957240.db2.gz ZGRCTOXXJADFJL-NRFANRHFSA-N 2 1 362.558 3.404 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCC[NH+](CCc3ccccc3)C1)CC2 ZINC000613232254 506984462 /nfs/dbraw/zinc/98/44/62/506984462.db2.gz PJZTTXZEYCMSCN-NRFANRHFSA-N 2 1 369.553 3.028 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCC[N@H+](CCc3ccccc3)C1)CC2 ZINC000613232254 506984466 /nfs/dbraw/zinc/98/44/66/506984466.db2.gz PJZTTXZEYCMSCN-NRFANRHFSA-N 2 1 369.553 3.028 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCC[N@@H+](CCc3ccccc3)C1)CC2 ZINC000613232254 506984470 /nfs/dbraw/zinc/98/44/70/506984470.db2.gz PJZTTXZEYCMSCN-NRFANRHFSA-N 2 1 369.553 3.028 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831743 506998876 /nfs/dbraw/zinc/99/88/76/506998876.db2.gz CFMRAVQMOUYEJY-DENIHFKCSA-N 2 1 365.521 3.368 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000583831743 506998879 /nfs/dbraw/zinc/99/88/79/506998879.db2.gz CFMRAVQMOUYEJY-DENIHFKCSA-N 2 1 365.521 3.368 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(F)ccc2o1 ZINC000605125308 507084872 /nfs/dbraw/zinc/08/48/72/507084872.db2.gz NBFFYXZWHPIHKV-KRWDZBQOSA-N 2 1 361.461 3.060 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC/C=C\c3ccccc3)CC2)CC1 ZINC000584181189 507198933 /nfs/dbraw/zinc/19/89/33/507198933.db2.gz RBHAASPRUXWIQN-TWGQIWQCSA-N 2 1 355.526 3.012 20 0 FGADMP COC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000594616636 507214561 /nfs/dbraw/zinc/21/45/61/507214561.db2.gz VIURXCFYDXONCV-SFHVURJKSA-N 2 1 356.466 3.376 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000594616636 507214577 /nfs/dbraw/zinc/21/45/77/507214577.db2.gz VIURXCFYDXONCV-SFHVURJKSA-N 2 1 356.466 3.376 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000594616636 507214584 /nfs/dbraw/zinc/21/45/84/507214584.db2.gz VIURXCFYDXONCV-SFHVURJKSA-N 2 1 356.466 3.376 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CC[N@@H+](C)C3)c2c1C ZINC000591371460 507221441 /nfs/dbraw/zinc/22/14/41/507221441.db2.gz DRWGKMPMGGOOLW-OAHLLOKOSA-N 2 1 359.543 3.268 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H]3CC[N@H+](C)C3)c2c1C ZINC000591371460 507221453 /nfs/dbraw/zinc/22/14/53/507221453.db2.gz DRWGKMPMGGOOLW-OAHLLOKOSA-N 2 1 359.543 3.268 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000584268349 507246531 /nfs/dbraw/zinc/24/65/31/507246531.db2.gz IKXYTTSMDJHXFZ-GOSISDBHSA-N 2 1 359.514 3.414 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000584268349 507246537 /nfs/dbraw/zinc/24/65/37/507246537.db2.gz IKXYTTSMDJHXFZ-GOSISDBHSA-N 2 1 359.514 3.414 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000584268349 507246543 /nfs/dbraw/zinc/24/65/43/507246543.db2.gz IKXYTTSMDJHXFZ-GOSISDBHSA-N 2 1 359.514 3.414 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000584268349 507246547 /nfs/dbraw/zinc/24/65/47/507246547.db2.gz IKXYTTSMDJHXFZ-GOSISDBHSA-N 2 1 359.514 3.414 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000594734838 507260435 /nfs/dbraw/zinc/26/04/35/507260435.db2.gz FSVSEEZMNLNTSO-HXUWFJFHSA-N 2 1 374.525 3.067 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000591557576 507289362 /nfs/dbraw/zinc/28/93/62/507289362.db2.gz KDYGGHXGYFCQPP-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)[N@@H+](C)C1CC1 ZINC000591554112 507290187 /nfs/dbraw/zinc/29/01/87/507290187.db2.gz PITHKYITDSOJFQ-SFHVURJKSA-N 2 1 372.557 3.200 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2CCCC[C@H]2CC)CC1 ZINC000605988038 507320161 /nfs/dbraw/zinc/32/01/61/507320161.db2.gz JYKIADXACFPJSY-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)CC1 ZINC000605988038 507320163 /nfs/dbraw/zinc/32/01/63/507320163.db2.gz JYKIADXACFPJSY-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@H+]2CCCC[C@H]2CC)CC1 ZINC000605988038 507320165 /nfs/dbraw/zinc/32/01/65/507320165.db2.gz JYKIADXACFPJSY-HXUWFJFHSA-N 2 1 366.594 3.404 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000594942415 507324072 /nfs/dbraw/zinc/32/40/72/507324072.db2.gz IBUAVTMHCWFNFX-IRZCZHAHSA-N 2 1 356.510 3.074 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440385 507343837 /nfs/dbraw/zinc/34/38/37/507343837.db2.gz QCCVILLSPVPHSN-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440385 507343843 /nfs/dbraw/zinc/34/38/43/507343843.db2.gz QCCVILLSPVPHSN-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)C[C@@H]1C ZINC000584440385 507343850 /nfs/dbraw/zinc/34/38/50/507343850.db2.gz QCCVILLSPVPHSN-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000595013391 507354321 /nfs/dbraw/zinc/35/43/21/507354321.db2.gz QIINKOYKANCXJJ-HNNXBMFYSA-N 2 1 362.518 3.020 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595015366 507355962 /nfs/dbraw/zinc/35/59/62/507355962.db2.gz CQTTUJQKKRONGT-WBMJQRKESA-N 2 1 370.278 3.210 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)c1ccsc1 ZINC000606637833 507462235 /nfs/dbraw/zinc/46/22/35/507462235.db2.gz HJFJUTLSPIJWBY-MSOLQXFVSA-N 2 1 366.575 3.113 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000584857625 507543542 /nfs/dbraw/zinc/54/35/42/507543542.db2.gz QZQSDDXPRYDJBL-JKWVGCSGSA-N 2 1 373.516 3.264 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000584857625 507543545 /nfs/dbraw/zinc/54/35/45/507543545.db2.gz QZQSDDXPRYDJBL-JKWVGCSGSA-N 2 1 373.516 3.264 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000584857625 507543549 /nfs/dbraw/zinc/54/35/49/507543549.db2.gz QZQSDDXPRYDJBL-JKWVGCSGSA-N 2 1 373.516 3.264 20 0 FGADMP CN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000584857625 507543552 /nfs/dbraw/zinc/54/35/52/507543552.db2.gz QZQSDDXPRYDJBL-JKWVGCSGSA-N 2 1 373.516 3.264 20 0 FGADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc2o1 ZINC000592491900 507677960 /nfs/dbraw/zinc/67/79/60/507677960.db2.gz PYOHSSSBLYLILH-IRXDYDNUSA-N 2 1 356.466 3.431 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1C[NH+]1CC[C@H]2C[C@H]2C1 ZINC000595810975 507696907 /nfs/dbraw/zinc/69/69/07/507696907.db2.gz QSPSWEPDPOCOJV-JFRXWTBNSA-N 2 1 354.494 3.157 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CC[C@@H]3C[C@@H]3C2)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810975 507696916 /nfs/dbraw/zinc/69/69/16/507696916.db2.gz QSPSWEPDPOCOJV-JFRXWTBNSA-N 2 1 354.494 3.157 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CC[C@@H]3C[C@@H]3C2)c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810975 507696918 /nfs/dbraw/zinc/69/69/18/507696918.db2.gz QSPSWEPDPOCOJV-JFRXWTBNSA-N 2 1 354.494 3.157 20 0 FGADMP C[N@@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[NH+](C)C1 ZINC000607358490 507698658 /nfs/dbraw/zinc/69/86/58/507698658.db2.gz NLKBPERSSBANLM-RBUKOAKNSA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@H+](C)C1 ZINC000607358490 507698661 /nfs/dbraw/zinc/69/86/61/507698661.db2.gz NLKBPERSSBANLM-RBUKOAKNSA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@H]1CCC[N@@H+](C)C1 ZINC000607358490 507698667 /nfs/dbraw/zinc/69/86/67/507698667.db2.gz NLKBPERSSBANLM-RBUKOAKNSA-N 2 1 365.521 3.429 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]c1 ZINC000531011399 518098594 /nfs/dbraw/zinc/09/85/94/518098594.db2.gz RAWMSKXEPBIUOZ-HXUWFJFHSA-N 2 1 366.509 3.363 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]c1 ZINC000531011399 518098607 /nfs/dbraw/zinc/09/86/07/518098607.db2.gz RAWMSKXEPBIUOZ-HXUWFJFHSA-N 2 1 366.509 3.363 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399399 599315144 /nfs/dbraw/zinc/31/51/44/599315144.db2.gz JKYRDWCWWYAADV-JKSUJKDBSA-N 2 1 363.469 3.065 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399399 599315148 /nfs/dbraw/zinc/31/51/48/599315148.db2.gz JKYRDWCWWYAADV-JKSUJKDBSA-N 2 1 363.469 3.065 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000821623831 599448095 /nfs/dbraw/zinc/44/80/95/599448095.db2.gz UEAISOBRRVONBK-FUHWJXTLSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000821623831 599448097 /nfs/dbraw/zinc/44/80/97/599448097.db2.gz UEAISOBRRVONBK-FUHWJXTLSA-N 2 1 368.510 3.101 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824936013 608496834 /nfs/dbraw/zinc/49/68/34/608496834.db2.gz DMHRKGMDXZNHSU-HNAYVOBHSA-N 2 1 354.502 3.098 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824875215 609328328 /nfs/dbraw/zinc/32/83/28/609328328.db2.gz JRXLYMKLUDXVGM-OWCLPIDISA-N 2 1 374.508 3.415 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000179903495 705720574 /nfs/dbraw/zinc/72/05/74/705720574.db2.gz FMNORELWEPIENM-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000179903495 705720579 /nfs/dbraw/zinc/72/05/79/705720579.db2.gz FMNORELWEPIENM-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903495 705720585 /nfs/dbraw/zinc/72/05/85/705720585.db2.gz FMNORELWEPIENM-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903495 705720590 /nfs/dbraw/zinc/72/05/90/705720590.db2.gz FMNORELWEPIENM-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669249 713655839 /nfs/dbraw/zinc/65/58/39/713655839.db2.gz RGPBJNZLVJFRFH-FXAWDEMLSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669249 713655841 /nfs/dbraw/zinc/65/58/41/713655841.db2.gz RGPBJNZLVJFRFH-FXAWDEMLSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000248669249 713655843 /nfs/dbraw/zinc/65/58/43/713655843.db2.gz RGPBJNZLVJFRFH-FXAWDEMLSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C(C)(C)C1 ZINC000310677745 713800377 /nfs/dbraw/zinc/80/03/77/713800377.db2.gz QBLZSYQTZLBWFL-ULQDDVLXSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(C)CC[C@@H]3CCCC[NH+]3C)sc2C1 ZINC000374958228 713956318 /nfs/dbraw/zinc/95/63/18/713956318.db2.gz ZSVJJVGKYFEHBJ-INIZCTEOSA-N 2 1 350.576 3.216 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN(C)CC[C@@H]3CCCC[N@@H+]3C)sc2C1 ZINC000374958228 713956319 /nfs/dbraw/zinc/95/63/19/713956319.db2.gz ZSVJJVGKYFEHBJ-INIZCTEOSA-N 2 1 350.576 3.216 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN(C)CC[C@@H]3CCCC[N@H+]3C)sc2C1 ZINC000374958228 713956320 /nfs/dbraw/zinc/95/63/20/713956320.db2.gz ZSVJJVGKYFEHBJ-INIZCTEOSA-N 2 1 350.576 3.216 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000385286410 713983170 /nfs/dbraw/zinc/98/31/70/713983170.db2.gz MYJGIUSOTSWLGJ-QZTJIDSGSA-N 2 1 351.535 3.429 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCSc3c(Cl)cccc32)CC1(C)C ZINC000442878678 714030779 /nfs/dbraw/zinc/03/07/79/714030779.db2.gz UJRLIUXJQFFYMM-INIZCTEOSA-N 2 1 353.963 3.493 20 0 FGADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447837466 714037052 /nfs/dbraw/zinc/03/70/52/714037052.db2.gz UYTUDAPNYVDPHZ-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837466 714037055 /nfs/dbraw/zinc/03/70/55/714037055.db2.gz UYTUDAPNYVDPHZ-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@H]1CCCC[NH+]1CCCCC[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447837466 714037058 /nfs/dbraw/zinc/03/70/58/714037058.db2.gz UYTUDAPNYVDPHZ-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000524263706 714275864 /nfs/dbraw/zinc/27/58/64/714275864.db2.gz UWWRKDJDMOOWKD-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000524263706 714275866 /nfs/dbraw/zinc/27/58/66/714275866.db2.gz UWWRKDJDMOOWKD-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1 ZINC000524263706 714275867 /nfs/dbraw/zinc/27/58/67/714275867.db2.gz UWWRKDJDMOOWKD-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995445 714619188 /nfs/dbraw/zinc/61/91/88/714619188.db2.gz ROFCSOKHGXOAIT-YOEHRIQHSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1cccc(Cl)c1 ZINC000616995445 714619189 /nfs/dbraw/zinc/61/91/89/714619189.db2.gz ROFCSOKHGXOAIT-YOEHRIQHSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100838 714959665 /nfs/dbraw/zinc/95/96/65/714959665.db2.gz YYLFPJPSZLSPGZ-QFBILLFUSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100838 714959666 /nfs/dbraw/zinc/95/96/66/714959666.db2.gz YYLFPJPSZLSPGZ-QFBILLFUSA-N 2 1 363.933 3.181 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)ccc1OCc1cccnc1 ZINC000623086851 715162603 /nfs/dbraw/zinc/16/26/03/715162603.db2.gz NUCILGILKHAILX-UHFFFAOYSA-N 2 1 356.857 3.380 20 0 FGADMP C[N@H+]1CC[C@@H](N[C@@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488154 715346570 /nfs/dbraw/zinc/34/65/70/715346570.db2.gz JVGHGRZQOZDABX-CJNGLKHVSA-N 2 1 355.320 3.335 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507478 715350555 /nfs/dbraw/zinc/35/05/55/715350555.db2.gz MCRGLSRDUPPHBQ-WBVHZDCISA-N 2 1 369.347 3.063 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624119908 715476719 /nfs/dbraw/zinc/47/67/19/715476719.db2.gz MDPCWBKNHQTFMF-FYQPLNBISA-N 2 1 363.933 3.008 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625318672 715704473 /nfs/dbraw/zinc/70/44/73/715704473.db2.gz JHWLBLSHEFTYOF-GJZGRUSLSA-N 2 1 363.468 3.030 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000625318672 715704476 /nfs/dbraw/zinc/70/44/76/715704476.db2.gz JHWLBLSHEFTYOF-GJZGRUSLSA-N 2 1 363.468 3.030 20 0 FGADMP C[C@@H]1CC(F)(F)CCN1CC1(C[N@H+]2CCC(F)(F)C[C@H]2C)COC1 ZINC000625980210 715820654 /nfs/dbraw/zinc/82/06/54/715820654.db2.gz JBGIIYLUNFIFBE-ZIAGYGMSSA-N 2 1 352.416 3.242 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000628050531 716103295 /nfs/dbraw/zinc/10/32/95/716103295.db2.gz GHIJEAQOYNUTNJ-AWEZNQCLSA-N 2 1 365.905 3.017 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1coc2cc(Cl)ccc12 ZINC000628050531 716103299 /nfs/dbraw/zinc/10/32/99/716103299.db2.gz GHIJEAQOYNUTNJ-AWEZNQCLSA-N 2 1 365.905 3.017 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(Br)c1O ZINC000628425672 716154403 /nfs/dbraw/zinc/15/44/03/716154403.db2.gz RFZWBDMBFQBQCC-ZDUSSCGKSA-N 2 1 371.319 3.375 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(Br)c1O ZINC000628425672 716154406 /nfs/dbraw/zinc/15/44/06/716154406.db2.gz RFZWBDMBFQBQCC-ZDUSSCGKSA-N 2 1 371.319 3.375 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1C(F)(F)F ZINC000629564205 716308814 /nfs/dbraw/zinc/30/88/14/716308814.db2.gz RZWCWALIMANXFZ-NEPJUHHUSA-N 2 1 366.330 3.010 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1C(F)(F)F ZINC000629564205 716308819 /nfs/dbraw/zinc/30/88/19/716308819.db2.gz RZWCWALIMANXFZ-NEPJUHHUSA-N 2 1 366.330 3.010 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581891 716311798 /nfs/dbraw/zinc/31/17/98/716311798.db2.gz JCERFUHWUOYLOA-UKPHBRMFSA-N 2 1 365.315 3.148 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629581889 716311887 /nfs/dbraw/zinc/31/18/87/716311887.db2.gz JCERFUHWUOYLOA-FRFSOERESA-N 2 1 365.315 3.148 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000629588672 716314229 /nfs/dbraw/zinc/31/42/29/716314229.db2.gz LKNTZUDZPCISQR-GFOJFJKKSA-N 2 1 356.897 3.061 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000629588672 716314234 /nfs/dbraw/zinc/31/42/34/716314234.db2.gz LKNTZUDZPCISQR-GFOJFJKKSA-N 2 1 356.897 3.061 20 0 FGADMP Fc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc(C(F)(F)F)c1 ZINC000629672367 716333418 /nfs/dbraw/zinc/33/34/18/716333418.db2.gz IRPKBYYVFDCUJJ-KRWDZBQOSA-N 2 1 360.395 3.435 20 0 FGADMP Clc1ccc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000631655089 716654346 /nfs/dbraw/zinc/65/43/46/716654346.db2.gz VWPOROFUIDCXNT-ZCNNSNEGSA-N 2 1 364.917 3.403 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](n3cncn3)C(F)(F)F)CC2)C1 ZINC000631685801 716659760 /nfs/dbraw/zinc/65/97/60/716659760.db2.gz AIJMIHIUKRFBNT-FVQBIDKESA-N 2 1 359.440 3.014 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](n2cncn2)C(F)(F)F)CC1 ZINC000631687982 716660273 /nfs/dbraw/zinc/66/02/73/716660273.db2.gz OZDILIQVMUIRCS-FVQBIDKESA-N 2 1 359.440 3.014 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000769661604 723691625 /nfs/dbraw/zinc/69/16/25/723691625.db2.gz WLVKTUZAYJFTQZ-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000769661604 723691626 /nfs/dbraw/zinc/69/16/26/723691626.db2.gz WLVKTUZAYJFTQZ-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2([C@@H]3CCCCO3)CCC2)[C@H](C)C1 ZINC000631732067 716669828 /nfs/dbraw/zinc/66/98/28/716669828.db2.gz VNABYXDPGZFTEE-AABGKKOBSA-N 2 1 352.563 3.452 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000635454352 717171961 /nfs/dbraw/zinc/17/19/61/717171961.db2.gz WIVYFLSPXDLNDW-INIZCTEOSA-N 2 1 360.527 3.096 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000635454352 717171964 /nfs/dbraw/zinc/17/19/64/717171964.db2.gz WIVYFLSPXDLNDW-INIZCTEOSA-N 2 1 360.527 3.096 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000635578144 717179661 /nfs/dbraw/zinc/17/96/61/717179661.db2.gz SYXZBKJNPOMPLC-UHFFFAOYSA-N 2 1 364.877 3.239 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979447 717396641 /nfs/dbraw/zinc/39/66/41/717396641.db2.gz SKMMODNIACPTMM-JKSUJKDBSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979447 717396645 /nfs/dbraw/zinc/39/66/45/717396645.db2.gz SKMMODNIACPTMM-JKSUJKDBSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979447 717396648 /nfs/dbraw/zinc/39/66/48/717396648.db2.gz SKMMODNIACPTMM-JKSUJKDBSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979447 717396653 /nfs/dbraw/zinc/39/66/53/717396653.db2.gz SKMMODNIACPTMM-JKSUJKDBSA-N 2 1 353.457 3.330 20 0 FGADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638369283 717440684 /nfs/dbraw/zinc/44/06/84/717440684.db2.gz QOZPEIWMPCQTAJ-ROUUACIJSA-N 2 1 361.917 3.095 20 0 FGADMP O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638369283 717440691 /nfs/dbraw/zinc/44/06/91/717440691.db2.gz QOZPEIWMPCQTAJ-ROUUACIJSA-N 2 1 361.917 3.095 20 0 FGADMP O=c1c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447985 717448265 /nfs/dbraw/zinc/44/82/65/717448265.db2.gz QBVYOIIPGNDIOL-AWEZNQCLSA-N 2 1 367.465 3.307 20 0 FGADMP O=c1c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cccn1C(F)F ZINC000638447985 717448268 /nfs/dbraw/zinc/44/82/68/717448268.db2.gz QBVYOIIPGNDIOL-AWEZNQCLSA-N 2 1 367.465 3.307 20 0 FGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000638672475 717474652 /nfs/dbraw/zinc/47/46/52/717474652.db2.gz ZDZCTBFKDFHIPR-SCTDSRPQSA-N 2 1 352.544 3.162 20 0 FGADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000638672475 717474655 /nfs/dbraw/zinc/47/46/55/717474655.db2.gz ZDZCTBFKDFHIPR-SCTDSRPQSA-N 2 1 352.544 3.162 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC1 ZINC000638838513 717493019 /nfs/dbraw/zinc/49/30/19/717493019.db2.gz KRXLEQKPAKETSM-KRWDZBQOSA-N 2 1 352.906 3.379 20 0 FGADMP O[C@@]1(C(F)(F)F)CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000644423556 718110963 /nfs/dbraw/zinc/11/09/63/718110963.db2.gz SUCIQSIROIPZNA-MSOLQXFVSA-N 2 1 356.432 3.129 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000644584023 718128367 /nfs/dbraw/zinc/12/83/67/718128367.db2.gz KDSWICNCOHYVOR-KURKYZTESA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000644584023 718128370 /nfs/dbraw/zinc/12/83/70/718128370.db2.gz KDSWICNCOHYVOR-KURKYZTESA-N 2 1 358.448 3.438 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000644585924 718128927 /nfs/dbraw/zinc/12/89/27/718128927.db2.gz JPUNJCSHDLOOFP-RCCFBDPRSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000644585924 718128928 /nfs/dbraw/zinc/12/89/28/718128928.db2.gz JPUNJCSHDLOOFP-RCCFBDPRSA-N 2 1 358.448 3.438 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000645957100 718254758 /nfs/dbraw/zinc/25/47/58/718254758.db2.gz PFTIMNAFFDLQAE-MRXNPFEDSA-N 2 1 370.324 3.072 20 0 FGADMP c1csc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975655 718391076 /nfs/dbraw/zinc/39/10/76/718391076.db2.gz DDAIPNQFAKMEQP-HZPDHXFCSA-N 2 1 360.527 3.442 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc2cc(Cl)cnc2o1 ZINC000648585392 718438140 /nfs/dbraw/zinc/43/81/40/718438140.db2.gz VEJKMCVVYQPSSB-KRWDZBQOSA-N 2 1 364.921 3.329 20 0 FGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000648896193 718457798 /nfs/dbraw/zinc/45/77/98/718457798.db2.gz UCMFARBWANQEOF-WMLDXEAASA-N 2 1 362.905 3.469 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649295530 718502326 /nfs/dbraw/zinc/50/23/26/718502326.db2.gz UIUGGZAMVHCXSE-RVKKMQEKSA-N 2 1 351.922 3.214 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCCC[NH+](CC)C2CCCCC2)C1 ZINC000650005812 718601928 /nfs/dbraw/zinc/60/19/28/718601928.db2.gz KMWXNCBOPACLEI-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@H+](CC)C2CCCCC2)C1 ZINC000650005812 718601932 /nfs/dbraw/zinc/60/19/32/718601932.db2.gz KMWXNCBOPACLEI-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)NCCC[N@@H+](CC)C2CCCCC2)C1 ZINC000650005812 718601935 /nfs/dbraw/zinc/60/19/35/718601935.db2.gz KMWXNCBOPACLEI-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3sccc3Br)C2)C1 ZINC000650707683 718717357 /nfs/dbraw/zinc/71/73/57/718717357.db2.gz KSUCRHQELMKLDU-YRGRVCCFSA-N 2 1 359.333 3.229 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC[C@H]1CCC[NH+](CC)C1)C1CCCCC1 ZINC000650846813 718734758 /nfs/dbraw/zinc/73/47/58/718734758.db2.gz BJFXDMYKFAPXLG-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@H]1CCC[N@H+](CC)C1)C1CCCCC1 ZINC000650846813 718734761 /nfs/dbraw/zinc/73/47/61/718734761.db2.gz BJFXDMYKFAPXLG-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@H]1CCC[N@@H+](CC)C1)C1CCCCC1 ZINC000650846813 718734763 /nfs/dbraw/zinc/73/47/63/718734763.db2.gz BJFXDMYKFAPXLG-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354560 718936389 /nfs/dbraw/zinc/93/63/89/718936389.db2.gz BWFBYYMCPKPJGG-CJNGLKHVSA-N 2 1 368.319 3.227 20 0 FGADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)[C@H]1CC[NH3+] ZINC000652354559 718936459 /nfs/dbraw/zinc/93/64/59/718936459.db2.gz BWFBYYMCPKPJGG-BBRMVZONSA-N 2 1 368.319 3.227 20 0 FGADMP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164638418 719257121 /nfs/dbraw/zinc/25/71/21/719257121.db2.gz YOXAKASSDXYQFA-STQMWFEESA-N 2 1 370.875 3.185 20 0 FGADMP C[C@H]1C[N@@H+](C)[C@@H](C)CN1C(F)(F)c1cnc(Cl)c(C2=CC[NH2+]CC2)c1 ZINC001164638418 719257122 /nfs/dbraw/zinc/25/71/22/719257122.db2.gz YOXAKASSDXYQFA-STQMWFEESA-N 2 1 370.875 3.185 20 0 FGADMP Clc1cccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1Cl ZINC000655699799 719326663 /nfs/dbraw/zinc/32/66/63/719326663.db2.gz BEXYQRCALSWSGG-CQSZACIVSA-N 2 1 359.297 3.215 20 0 FGADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1ccccc1Cl ZINC000655718436 719329176 /nfs/dbraw/zinc/32/91/76/719329176.db2.gz JKRPIFULUJQNSD-IRXDYDNUSA-N 2 1 352.906 3.340 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1cccc(Cl)c1 ZINC000655728715 719330686 /nfs/dbraw/zinc/33/06/86/719330686.db2.gz AIINYMXLRGNRAU-KXBFYZLASA-N 2 1 352.906 3.340 20 0 FGADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731938 719331449 /nfs/dbraw/zinc/33/14/49/719331449.db2.gz WNDJBIHJUGZDKI-OALUTQOASA-N 2 1 352.906 3.261 20 0 FGADMP Cc1ccc(Br)cc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655758671 719335973 /nfs/dbraw/zinc/33/59/73/719335973.db2.gz WUOQUHVGASUXLV-QGZVFWFLSA-N 2 1 353.304 3.100 20 0 FGADMP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657593522 719680857 /nfs/dbraw/zinc/68/08/57/719680857.db2.gz AEBWWPJEEFTFDC-SFHVURJKSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)c1nc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657593522 719680865 /nfs/dbraw/zinc/68/08/65/719680865.db2.gz AEBWWPJEEFTFDC-SFHVURJKSA-N 2 1 359.539 3.297 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCC(F)(F)CC1 ZINC000658322421 719785175 /nfs/dbraw/zinc/78/51/75/719785175.db2.gz GWUPQIRRKCEHTK-AEFFLSMTSA-N 2 1 352.469 3.427 20 0 FGADMP C[C@H]([NH3+])c1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000659293486 719892092 /nfs/dbraw/zinc/89/20/92/719892092.db2.gz IPRRKGYYIRLALM-QMMMGPOBSA-N 2 1 366.284 3.386 20 0 FGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000660699402 720103031 /nfs/dbraw/zinc/10/30/31/720103031.db2.gz WFVYQLYJTICARS-UHFFFAOYSA-N 2 1 363.933 3.367 20 0 FGADMP Brc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281734 720409334 /nfs/dbraw/zinc/40/93/34/720409334.db2.gz ZTQRLDIOLPALAA-NEPJUHHUSA-N 2 1 357.317 3.169 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286857 720410099 /nfs/dbraw/zinc/41/00/99/720410099.db2.gz STDNGKOQSSZBKY-MJEQTWJJSA-N 2 1 358.404 3.145 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294648 720410904 /nfs/dbraw/zinc/41/09/04/720410904.db2.gz DHUJXWVPRXYDLL-KRWDZBQOSA-N 2 1 361.555 3.449 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298743 720412116 /nfs/dbraw/zinc/41/21/16/720412116.db2.gz XKHGDKVWCZJHSN-YJBOKZPZSA-N 2 1 363.933 3.056 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2c(F)cccc2Cl)[C@@H]1CCC[NH3+] ZINC000662316878 720414711 /nfs/dbraw/zinc/41/47/11/720414711.db2.gz YBDYJKQVBVASEX-RDTXWAMCSA-N 2 1 369.912 3.277 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662486961 720434114 /nfs/dbraw/zinc/43/41/14/720434114.db2.gz ZMXNUTAVKJNTST-LRDDRELGSA-N 2 1 358.313 3.197 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662510036 720436787 /nfs/dbraw/zinc/43/67/87/720436787.db2.gz BFRKBTIIEDDGEK-UCLAIMLFSA-N 2 1 351.922 3.213 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000662510036 720436788 /nfs/dbraw/zinc/43/67/88/720436788.db2.gz BFRKBTIIEDDGEK-UCLAIMLFSA-N 2 1 351.922 3.213 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c(C(C)C)nc2s1 ZINC000663346223 720503512 /nfs/dbraw/zinc/50/35/12/720503512.db2.gz QYGSVBGKXRZAMW-MRXNPFEDSA-N 2 1 361.559 3.434 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c(C(C)C)nc2s1 ZINC000663346223 720503515 /nfs/dbraw/zinc/50/35/15/720503515.db2.gz QYGSVBGKXRZAMW-MRXNPFEDSA-N 2 1 361.559 3.434 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(F)c(-c2ccsc2)n1 ZINC000664195054 720606591 /nfs/dbraw/zinc/60/65/91/720606591.db2.gz JLCQWGXAIYRTKD-ZDUSSCGKSA-N 2 1 351.495 3.028 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(F)c(-c2ccsc2)n1 ZINC000664195054 720606595 /nfs/dbraw/zinc/60/65/95/720606595.db2.gz JLCQWGXAIYRTKD-ZDUSSCGKSA-N 2 1 351.495 3.028 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000664292626 720619596 /nfs/dbraw/zinc/61/95/96/720619596.db2.gz OVAHKJNLKJZWGZ-ROUUACIJSA-N 2 1 366.937 3.068 20 0 FGADMP CCN(C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000664292627 720619879 /nfs/dbraw/zinc/61/98/79/720619879.db2.gz OVAHKJNLKJZWGZ-ZWKOTPCHSA-N 2 1 366.937 3.068 20 0 FGADMP COc1cc[nH+]c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)c1 ZINC001164842472 720662191 /nfs/dbraw/zinc/66/21/91/720662191.db2.gz RRBFBCOTJFFGGI-IBGZPJMESA-N 2 1 367.493 3.350 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000665759096 720813717 /nfs/dbraw/zinc/81/37/17/720813717.db2.gz ZJSMVAMPYNISGZ-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CC[C@H]1c1ccc(Cl)cc1 ZINC000665759096 720813740 /nfs/dbraw/zinc/81/37/40/720813740.db2.gz ZJSMVAMPYNISGZ-YJBOKZPZSA-N 2 1 366.937 3.068 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583625 721468971 /nfs/dbraw/zinc/46/89/71/721468971.db2.gz LKESMJXGPIHAHE-ZWKOTPCHSA-N 2 1 366.937 3.164 20 0 FGADMP COc1cc[nH+]c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)c1 ZINC001164793785 721490097 /nfs/dbraw/zinc/49/00/97/721490097.db2.gz WIDFYDSXQACADL-UHFFFAOYSA-N 2 1 352.482 3.366 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000672454647 721634155 /nfs/dbraw/zinc/63/41/55/721634155.db2.gz QYCIDCKSTLQFSB-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454647 721634156 /nfs/dbraw/zinc/63/41/56/721634156.db2.gz QYCIDCKSTLQFSB-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000672454647 721634158 /nfs/dbraw/zinc/63/41/58/721634158.db2.gz QYCIDCKSTLQFSB-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccccc1Br ZINC000677241517 721875891 /nfs/dbraw/zinc/87/58/91/721875891.db2.gz QBVWMGJPTLMJCL-KFWWJZLASA-N 2 1 353.304 3.433 20 0 FGADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678342842 721953066 /nfs/dbraw/zinc/95/30/66/721953066.db2.gz JGFRBJCHKLRDHM-SGMGOOAPSA-N 2 1 368.321 3.210 20 0 FGADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000678343253 721953338 /nfs/dbraw/zinc/95/33/38/721953338.db2.gz OBSMPGJGDLDVLN-HOTGVXAUSA-N 2 1 350.491 3.252 20 0 FGADMP O=C(Nc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1)c1ccc(Cl)cc1 ZINC000678343383 721953412 /nfs/dbraw/zinc/95/34/12/721953412.db2.gz RPWNLBYGRGIPQP-IAGOWNOFSA-N 2 1 355.869 3.244 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2ccc(F)cc2)[C@@H](C)C1 ZINC000678594676 721966074 /nfs/dbraw/zinc/96/60/74/721966074.db2.gz JHBPJBMWYUBQTK-FFZOFVMBSA-N 2 1 352.494 3.240 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000681368657 722201352 /nfs/dbraw/zinc/20/13/52/722201352.db2.gz AMDISFFLLBWGOH-UHFFFAOYSA-N 2 1 367.559 3.192 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000784251922 724836285 /nfs/dbraw/zinc/83/62/85/724836285.db2.gz JYPJFLBKCGHOKK-MRXNPFEDSA-N 2 1 353.304 3.043 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)c1ccc(Br)cc1)CC2 ZINC000784251922 724836286 /nfs/dbraw/zinc/83/62/86/724836286.db2.gz JYPJFLBKCGHOKK-MRXNPFEDSA-N 2 1 353.304 3.043 20 0 FGADMP CN(CCCC[NH+](C)C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000682415810 722245979 /nfs/dbraw/zinc/24/59/79/722245979.db2.gz QTQJUGXDMMKTBE-UHFFFAOYSA-N 2 1 364.559 3.041 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000700804667 722409820 /nfs/dbraw/zinc/40/98/20/722409820.db2.gz QATUSDFUSSZRHF-CSNJMZFVSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000720623444 722419465 /nfs/dbraw/zinc/41/94/65/722419465.db2.gz MBFLNOAIBGVGJB-CUHOHZIGSA-N 2 1 351.535 3.237 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@H]1C ZINC000740883988 722539138 /nfs/dbraw/zinc/53/91/38/722539138.db2.gz RGTMIWDUKXBZBI-XOKHGSTOSA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@H]1C ZINC000740883988 722539139 /nfs/dbraw/zinc/53/91/39/722539139.db2.gz RGTMIWDUKXBZBI-XOKHGSTOSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@H]1C ZINC000740883988 722539140 /nfs/dbraw/zinc/53/91/40/722539140.db2.gz RGTMIWDUKXBZBI-XOKHGSTOSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@H]1C ZINC000740883988 722539141 /nfs/dbraw/zinc/53/91/41/722539141.db2.gz RGTMIWDUKXBZBI-XOKHGSTOSA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)s1 ZINC000745735862 722590019 /nfs/dbraw/zinc/59/00/19/722590019.db2.gz KFAKVJWAEGFIRJ-IRXDYDNUSA-N 2 1 366.575 3.175 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315219 722934471 /nfs/dbraw/zinc/93/44/71/722934471.db2.gz ODJAUIRIWVWGHV-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000755047064 722949643 /nfs/dbraw/zinc/94/96/43/722949643.db2.gz DRQDVXXRERREQB-OKZBNKHCSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1)C[NH+]1CCCCC1 ZINC000765240629 723497917 /nfs/dbraw/zinc/49/79/17/723497917.db2.gz VDWHGGHOBMRCHU-GJZGRUSLSA-N 2 1 374.497 3.456 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(SC(F)F)cc1 ZINC000765798468 723541760 /nfs/dbraw/zinc/54/17/60/723541760.db2.gz SBRBOWCGLSKDOW-UKRRQHHQSA-N 2 1 371.497 3.239 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCN1C(=O)OC(C)(C)C ZINC000796358520 723634344 /nfs/dbraw/zinc/63/43/44/723634344.db2.gz GUBZQIWJWZSEMU-ZIAGYGMSSA-N 2 1 368.547 3.082 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)NCc3ccccc3Cl)C2)CC1 ZINC000799177235 723995503 /nfs/dbraw/zinc/99/55/03/723995503.db2.gz MRWBGMMJXVNGCP-UHFFFAOYSA-N 2 1 363.933 3.154 20 0 FGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000806127858 725116743 /nfs/dbraw/zinc/11/67/43/725116743.db2.gz KQBSQOCEYPXVDL-GOSISDBHSA-N 2 1 357.885 3.344 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CCC[N@H+](CC3CCCCC3)CC2)s1 ZINC000809551386 725246946 /nfs/dbraw/zinc/24/69/46/725246946.db2.gz WTYBFQQGQNBDCY-UHFFFAOYSA-N 2 1 350.576 3.293 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CCC[N@@H+](CC3CCCCC3)CC2)s1 ZINC000809551386 725246947 /nfs/dbraw/zinc/24/69/47/725246947.db2.gz WTYBFQQGQNBDCY-UHFFFAOYSA-N 2 1 350.576 3.293 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938038 725277023 /nfs/dbraw/zinc/27/70/23/725277023.db2.gz QLTWXNAKBJPRSJ-LPHOPBHVSA-N 2 1 369.912 3.271 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccccc1Cl ZINC000809938038 725277024 /nfs/dbraw/zinc/27/70/24/725277024.db2.gz QLTWXNAKBJPRSJ-LPHOPBHVSA-N 2 1 369.912 3.271 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165011 725294038 /nfs/dbraw/zinc/29/40/38/725294038.db2.gz JKVSFTYPRGUIND-YZLZLFLDSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810165011 725294039 /nfs/dbraw/zinc/29/40/39/725294039.db2.gz JKVSFTYPRGUIND-YZLZLFLDSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810165011 725294040 /nfs/dbraw/zinc/29/40/40/725294040.db2.gz JKVSFTYPRGUIND-YZLZLFLDSA-N 2 1 353.526 3.063 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143187 727044201 /nfs/dbraw/zinc/04/42/01/727044201.db2.gz GJQILTJMRZLCSZ-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143187 727044204 /nfs/dbraw/zinc/04/42/04/727044204.db2.gz GJQILTJMRZLCSZ-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143187 727044206 /nfs/dbraw/zinc/04/42/06/727044206.db2.gz GJQILTJMRZLCSZ-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143188 727044247 /nfs/dbraw/zinc/04/42/47/727044247.db2.gz GJQILTJMRZLCSZ-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143188 727044250 /nfs/dbraw/zinc/04/42/50/727044250.db2.gz GJQILTJMRZLCSZ-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143188 727044254 /nfs/dbraw/zinc/04/42/54/727044254.db2.gz GJQILTJMRZLCSZ-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641942 727183890 /nfs/dbraw/zinc/18/38/90/727183890.db2.gz KJEIJDNIQKGITC-PMACEKPBSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641942 727183892 /nfs/dbraw/zinc/18/38/92/727183892.db2.gz KJEIJDNIQKGITC-PMACEKPBSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000816641942 727183894 /nfs/dbraw/zinc/18/38/94/727183894.db2.gz KJEIJDNIQKGITC-PMACEKPBSA-N 2 1 351.535 3.051 20 0 FGADMP O[C@](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)(c1ccccc1)C(F)(F)F ZINC000817892345 727287181 /nfs/dbraw/zinc/28/71/81/727287181.db2.gz SZVBWSKKLNHOLG-WNRNVDISSA-N 2 1 356.432 3.337 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000818985705 727334684 /nfs/dbraw/zinc/33/46/84/727334684.db2.gz VDBUDTRUPLHIQU-RHSMWYFYSA-N 2 1 360.420 3.329 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820867030 729038994 /nfs/dbraw/zinc/03/89/94/729038994.db2.gz GTQVOIGFHVARMG-QLFBSQMISA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820867030 729038997 /nfs/dbraw/zinc/03/89/97/729038997.db2.gz GTQVOIGFHVARMG-QLFBSQMISA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867030 729038999 /nfs/dbraw/zinc/03/89/99/729038999.db2.gz GTQVOIGFHVARMG-QLFBSQMISA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867030 729039000 /nfs/dbraw/zinc/03/90/00/729039000.db2.gz GTQVOIGFHVARMG-QLFBSQMISA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820869962 729039475 /nfs/dbraw/zinc/03/94/75/729039475.db2.gz ZPPCGQASATWBGV-MCIONIFRSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820869962 729039478 /nfs/dbraw/zinc/03/94/78/729039478.db2.gz ZPPCGQASATWBGV-MCIONIFRSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869962 729039482 /nfs/dbraw/zinc/03/94/82/729039482.db2.gz ZPPCGQASATWBGV-MCIONIFRSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869962 729039485 /nfs/dbraw/zinc/03/94/85/729039485.db2.gz ZPPCGQASATWBGV-MCIONIFRSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436856 729280568 /nfs/dbraw/zinc/28/05/68/729280568.db2.gz DNAJRMGMOLGQFK-SJLPKXTDSA-N 2 1 353.551 3.296 20 0 FGADMP [NH3+][C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000829045949 729452933 /nfs/dbraw/zinc/45/29/33/729452933.db2.gz ZRUBMQMEEZBANU-KRWDZBQOSA-N 2 1 370.324 3.201 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509608 729647767 /nfs/dbraw/zinc/64/77/67/729647767.db2.gz FMMGZIRNXAHMPK-SJLPKXTDSA-N 2 1 355.885 3.250 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000831509608 729647772 /nfs/dbraw/zinc/64/77/72/729647772.db2.gz FMMGZIRNXAHMPK-SJLPKXTDSA-N 2 1 355.885 3.250 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566844 729814871 /nfs/dbraw/zinc/81/48/71/729814871.db2.gz TZSOQRRCVJNVTH-UXLLHSPISA-N 2 1 350.507 3.205 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(Br)cnc1Cl ZINC000842675670 730529553 /nfs/dbraw/zinc/52/95/53/730529553.db2.gz VXSTZOGWNAXCJY-SNVBAGLBSA-N 2 1 357.683 3.428 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842870781 730552287 /nfs/dbraw/zinc/55/22/87/730552287.db2.gz IEXAQLCOZOQBOT-XLAORIBOSA-N 2 1 353.551 3.340 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842870781 730552291 /nfs/dbraw/zinc/55/22/91/730552291.db2.gz IEXAQLCOZOQBOT-XLAORIBOSA-N 2 1 353.551 3.340 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843058979 730575017 /nfs/dbraw/zinc/57/50/17/730575017.db2.gz BDKHQAJVCSKSJY-UHOSZYNNSA-N 2 1 358.917 3.452 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000843058979 730575018 /nfs/dbraw/zinc/57/50/18/730575018.db2.gz BDKHQAJVCSKSJY-UHOSZYNNSA-N 2 1 358.917 3.452 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388738 730612533 /nfs/dbraw/zinc/61/25/33/730612533.db2.gz WYPFNLXNCOIRFL-KGLIPLIRSA-N 2 1 369.481 3.261 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843496245 730624716 /nfs/dbraw/zinc/62/47/16/730624716.db2.gz VVDSNSDVTCTNIF-BOFPYLFWSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000843496245 730624717 /nfs/dbraw/zinc/62/47/17/730624717.db2.gz VVDSNSDVTCTNIF-BOFPYLFWSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000845921516 730909556 /nfs/dbraw/zinc/90/95/56/730909556.db2.gz OHMYKAXKGZPARC-ABHNRTSZSA-N 2 1 353.551 3.390 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@]3(C)C[C@@]3(F)Cl)CC2)CC1 ZINC000848241278 731148499 /nfs/dbraw/zinc/14/84/99/731148499.db2.gz LULJBFGLKAKPSH-OALUTQOASA-N 2 1 373.944 3.004 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000848525378 731175117 /nfs/dbraw/zinc/17/51/17/731175117.db2.gz PDQFUZVUVOCDQB-PVAVHDDUSA-N 2 1 350.507 3.253 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1Cl ZINC000849064859 731225346 /nfs/dbraw/zinc/22/53/46/731225346.db2.gz FRTFWAJPFVWVSR-AWEZNQCLSA-N 2 1 373.328 3.361 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)cc2)C1 ZINC000850357643 731348196 /nfs/dbraw/zinc/34/81/96/731348196.db2.gz QJBAGPAXARHCPZ-RCCFBDPRSA-N 2 1 356.432 3.464 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000851629952 731479815 /nfs/dbraw/zinc/47/98/15/731479815.db2.gz DBIOZMPTOXXESJ-OZVIIMIRSA-N 2 1 358.313 3.243 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241460 731686735 /nfs/dbraw/zinc/68/67/35/731686735.db2.gz VMURLYDJISTQDW-KZNAEPCWSA-N 2 1 351.535 3.144 20 0 FGADMP CC[C@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000854147011 731798347 /nfs/dbraw/zinc/79/83/47/731798347.db2.gz PWJCRIHYXIJSBC-HNNXBMFYSA-N 2 1 363.893 3.202 20 0 FGADMP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC[Si](C)(C)CC[N@@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000859268957 732301197 /nfs/dbraw/zinc/30/11/97/732301197.db2.gz RIRKYXBESOHXRK-YFWYZSEYSA-N 2 1 370.654 3.162 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000865414326 733194652 /nfs/dbraw/zinc/19/46/52/733194652.db2.gz BFUFIZWVXLZJNF-IHRRRGAJSA-N 2 1 365.440 3.049 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)CC(F)(F)F ZINC000865414326 733194653 /nfs/dbraw/zinc/19/46/53/733194653.db2.gz BFUFIZWVXLZJNF-IHRRRGAJSA-N 2 1 365.440 3.049 20 0 FGADMP C[NH+]1CCC(N2CCC([NH2+]Cc3c(Cl)cncc3Cl)CC2)CC1 ZINC000865438737 733201537 /nfs/dbraw/zinc/20/15/37/733201537.db2.gz HBMYLSPQJNLGCS-UHFFFAOYSA-N 2 1 357.329 3.037 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449770 733203510 /nfs/dbraw/zinc/20/35/10/733203510.db2.gz FBAQDGAOHUOFPH-GJZGRUSLSA-N 2 1 363.493 3.245 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000866467777 733353874 /nfs/dbraw/zinc/35/38/74/733353874.db2.gz PZYIAVMCNLAVFS-DZVNLGKHSA-N 2 1 351.535 3.285 20 0 FGADMP Clc1ncsc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000872144977 735594596 /nfs/dbraw/zinc/59/45/96/735594596.db2.gz KDRDGBZTEQIMPJ-UHFFFAOYSA-N 2 1 365.934 3.366 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C(F)(F)F ZINC000872151064 735596457 /nfs/dbraw/zinc/59/64/57/735596457.db2.gz UFSQCCFWVYSHKE-YPMHNXCESA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C(F)(F)F ZINC000872151064 735596460 /nfs/dbraw/zinc/59/64/60/735596460.db2.gz UFSQCCFWVYSHKE-YPMHNXCESA-N 2 1 374.794 3.002 20 0 FGADMP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158491 735597247 /nfs/dbraw/zinc/59/72/47/735597247.db2.gz VPQMFBMADOQTHZ-INMHGKMJSA-N 2 1 350.507 3.287 20 0 FGADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158491 735597248 /nfs/dbraw/zinc/59/72/48/735597248.db2.gz VPQMFBMADOQTHZ-INMHGKMJSA-N 2 1 350.507 3.287 20 0 FGADMP c1[nH+]c(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)n2c1CCCC2 ZINC000873211082 735738774 /nfs/dbraw/zinc/73/87/74/735738774.db2.gz UPSDTYFYUDHZRG-UHFFFAOYSA-N 3 1 356.539 3.306 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1Br ZINC000876888170 736158023 /nfs/dbraw/zinc/15/80/23/736158023.db2.gz ANNHABSLZXTAAS-OQHXTRMZSA-N 2 1 366.303 3.005 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3c(Cl)ccc4cccnc43)CC2)CC1 ZINC000877746314 736713048 /nfs/dbraw/zinc/71/30/48/736713048.db2.gz MKCMGQZOWIMQHG-UHFFFAOYSA-N 2 1 358.917 3.100 20 0 FGADMP C([C@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050131 736763920 /nfs/dbraw/zinc/76/39/20/736763920.db2.gz QWGPZKVOKLEQGV-VQTJNVASSA-N 2 1 350.547 3.303 20 0 FGADMP CC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000879951309 737088997 /nfs/dbraw/zinc/08/89/97/737088997.db2.gz KGUSTEXINXHFND-LJQANCHMSA-N 2 1 350.547 3.303 20 0 FGADMP CCC1([NH+]2CCC2)CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000886707253 739288267 /nfs/dbraw/zinc/28/82/67/739288267.db2.gz CDHIQJLNHUIFIW-GOSISDBHSA-N 2 1 366.933 3.168 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1 ZINC000892668122 740029117 /nfs/dbraw/zinc/02/91/17/740029117.db2.gz HFTBRSACZNTBAL-KLHDSHLOSA-N 2 1 364.452 3.218 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)C[C@H]1C(F)(F)F ZINC000894454900 742285525 /nfs/dbraw/zinc/28/55/25/742285525.db2.gz BRVMVSOVWWYBPD-QKPAOTATSA-N 2 1 364.452 3.217 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903129221 743810604 /nfs/dbraw/zinc/81/06/04/743810604.db2.gz FXLXIZLYOMQIJA-NXCDMZCRSA-N 2 1 354.416 3.486 20 0 FGADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903129221 743810609 /nfs/dbraw/zinc/81/06/09/743810609.db2.gz FXLXIZLYOMQIJA-NXCDMZCRSA-N 2 1 354.416 3.486 20 0 FGADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903176451 743817991 /nfs/dbraw/zinc/81/79/91/743817991.db2.gz AHKBRGDXKRDLEO-UNPWZGGWSA-N 2 1 351.535 3.427 20 0 FGADMP FC(F)(F)[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000903180624 743818510 /nfs/dbraw/zinc/81/85/10/743818510.db2.gz GJUGQMXDPDAEDS-ZWKOTPCHSA-N 2 1 356.432 3.393 20 0 FGADMP CC(C)(C[NH3+])C1CC[NH+](CC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000903788812 743884139 /nfs/dbraw/zinc/88/41/39/743884139.db2.gz HMXLYQQNHZCZKP-UHFFFAOYSA-N 2 1 357.420 3.341 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000903843071 743887643 /nfs/dbraw/zinc/88/76/43/743887643.db2.gz BNJJVYDQDFILEJ-CQDKDKBSSA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3cccc(Br)c3)o1)C2 ZINC000903843071 743887647 /nfs/dbraw/zinc/88/76/47/743887647.db2.gz BNJJVYDQDFILEJ-CQDKDKBSSA-N 2 1 362.271 3.416 20 0 FGADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000904420474 743953855 /nfs/dbraw/zinc/95/38/55/743953855.db2.gz PSKCDYJGGQJJPO-LSDHHAIUSA-N 2 1 358.404 3.068 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000904420474 743953859 /nfs/dbraw/zinc/95/38/59/743953859.db2.gz PSKCDYJGGQJJPO-LSDHHAIUSA-N 2 1 358.404 3.068 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386204 758909114 /nfs/dbraw/zinc/90/91/14/758909114.db2.gz DHAHSJZKSZQMLX-XOUADPBQSA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4ccncc4s3)C2)[C@@H]1C(C)C ZINC000922396994 758914872 /nfs/dbraw/zinc/91/48/72/758914872.db2.gz ZXTAHDBKWYEDCP-JYBIWHBTSA-N 2 1 359.539 3.256 20 0 FGADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl)C1CCCCC1 ZINC000923372008 759106959 /nfs/dbraw/zinc/10/69/59/759106959.db2.gz DWICHGGKMVAQFR-ZBFHGGJFSA-N 2 1 361.313 3.230 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncc(-c3cccc(Br)c3)o2)C1 ZINC000923483964 759129463 /nfs/dbraw/zinc/12/94/63/759129463.db2.gz UOSRDKXFDMGCSL-LBPRGKRZSA-N 2 1 350.260 3.275 20 0 FGADMP CCOc1ccc(-c2nc(C[N@H+]3CC[C@@H](CC[NH3+])C3)cs2)cc1OC ZINC000923482966 759129510 /nfs/dbraw/zinc/12/95/10/759129510.db2.gz JYBKOZBHSPLCMJ-CQSZACIVSA-N 2 1 361.511 3.388 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000923486823 759129732 /nfs/dbraw/zinc/12/97/32/759129732.db2.gz KFOKQFUXUGHHME-JXFKEZNVSA-N 2 1 357.523 3.015 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923488337 759130613 /nfs/dbraw/zinc/13/06/13/759130613.db2.gz RZYWAAGPKFLYHP-RYUDHWBXSA-N 2 1 354.376 3.487 20 0 FGADMP FC(F)(F)Oc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)CC2 ZINC000925786590 759539795 /nfs/dbraw/zinc/53/97/95/759539795.db2.gz XANHOFIRSVPWMY-BXUZGUMPSA-N 2 1 350.331 3.407 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[N@H+]4CCCC[C@H]34)C2)CC1 ZINC000926332403 759718309 /nfs/dbraw/zinc/71/83/09/759718309.db2.gz XONOPNWTIMKCET-OPQOLIRYSA-N 2 1 359.480 3.398 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428575 760859626 /nfs/dbraw/zinc/85/96/26/760859626.db2.gz XVBCNCHDFOCROH-VHDGCEQUSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428575 760859637 /nfs/dbraw/zinc/85/96/37/760859637.db2.gz XVBCNCHDFOCROH-VHDGCEQUSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428575 760859649 /nfs/dbraw/zinc/85/96/49/760859649.db2.gz XVBCNCHDFOCROH-VHDGCEQUSA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428575 760859661 /nfs/dbraw/zinc/85/96/61/760859661.db2.gz XVBCNCHDFOCROH-VHDGCEQUSA-N 2 1 370.324 3.054 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000934610362 761675273 /nfs/dbraw/zinc/67/52/73/761675273.db2.gz ILRZQLJZCBCMAP-BZSNNMDCSA-N 2 1 351.535 3.240 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000999204456 765147286 /nfs/dbraw/zinc/14/72/86/765147286.db2.gz GCPZPPOCLKXHGD-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001022109021 765974211 /nfs/dbraw/zinc/97/42/11/765974211.db2.gz BEBISUMFGHFSFU-MJQMVNBJSA-N 2 1 363.933 3.116 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001023377778 766035956 /nfs/dbraw/zinc/03/59/56/766035956.db2.gz WEMFNQASRBKDIZ-IIAWOOMASA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001023377778 766035964 /nfs/dbraw/zinc/03/59/64/766035964.db2.gz WEMFNQASRBKDIZ-IIAWOOMASA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001023377778 766035970 /nfs/dbraw/zinc/03/59/70/766035970.db2.gz WEMFNQASRBKDIZ-IIAWOOMASA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001029742753 766150855 /nfs/dbraw/zinc/15/08/55/766150855.db2.gz YFAQAKCGXCLZOP-YTQUADARSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001029742753 766150861 /nfs/dbraw/zinc/15/08/61/766150861.db2.gz YFAQAKCGXCLZOP-YTQUADARSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[N@@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001029742753 766150866 /nfs/dbraw/zinc/15/08/66/766150866.db2.gz YFAQAKCGXCLZOP-YTQUADARSA-N 2 1 363.571 3.067 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000071935649 221388167 /nfs/dbraw/zinc/38/81/67/221388167.db2.gz OUKOMHAFQMECOQ-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567898799 505570683 /nfs/dbraw/zinc/57/06/83/505570683.db2.gz BPCCRYQEKQEUOI-KBPBESRZSA-N 2 1 366.431 3.414 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122341940 494960545 /nfs/dbraw/zinc/96/05/45/494960545.db2.gz RBHRKOTYKSPADZ-HSMVNMDESA-N 2 1 353.304 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122341940 494960546 /nfs/dbraw/zinc/96/05/46/494960546.db2.gz RBHRKOTYKSPADZ-HSMVNMDESA-N 2 1 353.304 3.202 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000536848854 503739538 /nfs/dbraw/zinc/73/95/38/503739538.db2.gz YMIRATWKUISEQZ-FHWLQOOXSA-N 2 1 370.603 3.158 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H](CC(C)(C)C)C3)CC2)CC1 ZINC000579612191 505587259 /nfs/dbraw/zinc/58/72/59/505587259.db2.gz AWOQFWJYGCUBMP-GOSISDBHSA-N 2 1 363.590 3.467 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994738 505592726 /nfs/dbraw/zinc/59/27/26/505592726.db2.gz STBBKJUNTIQCBV-INIZCTEOSA-N 2 1 365.568 3.042 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994738 505592727 /nfs/dbraw/zinc/59/27/27/505592727.db2.gz STBBKJUNTIQCBV-INIZCTEOSA-N 2 1 365.568 3.042 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994738 505592729 /nfs/dbraw/zinc/59/27/29/505592729.db2.gz STBBKJUNTIQCBV-INIZCTEOSA-N 2 1 365.568 3.042 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCn3c(C)csc3=O)C2)s1 ZINC000567994738 505592731 /nfs/dbraw/zinc/59/27/31/505592731.db2.gz STBBKJUNTIQCBV-INIZCTEOSA-N 2 1 365.568 3.042 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000567987108 505590351 /nfs/dbraw/zinc/59/03/51/505590351.db2.gz QMVKYSXQPRRSMX-FPOVZHCZSA-N 2 1 371.550 3.452 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)C1 ZINC000573712889 505602273 /nfs/dbraw/zinc/60/22/73/505602273.db2.gz FYAOKDUXZWVHCN-OAHLLOKOSA-N 2 1 353.457 3.251 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@H](C)O1 ZINC000573763783 505613767 /nfs/dbraw/zinc/61/37/67/505613767.db2.gz KFACBVSNAUFTPA-HDICACEKSA-N 2 1 371.525 3.258 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc4[nH]ccc43)CC2)C[C@H](C)O1 ZINC000573763783 505613770 /nfs/dbraw/zinc/61/37/70/505613770.db2.gz KFACBVSNAUFTPA-HDICACEKSA-N 2 1 371.525 3.258 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000579804939 505625297 /nfs/dbraw/zinc/62/52/97/505625297.db2.gz JMXPUAGHXMMTJG-QGZVFWFLSA-N 2 1 361.534 3.262 20 0 FGADMP COC(=O)CC[N@@H+](Cc1ccc(F)c(F)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573809333 505626332 /nfs/dbraw/zinc/62/63/32/505626332.db2.gz XKFFYSPXVQLZDA-UHFFFAOYSA-N 2 1 374.431 3.176 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189397 505638533 /nfs/dbraw/zinc/63/85/33/505638533.db2.gz GRLKINYXXXXFAC-FUHIMQAGSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189397 505638536 /nfs/dbraw/zinc/63/85/36/505638536.db2.gz GRLKINYXXXXFAC-FUHIMQAGSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000568189397 505638540 /nfs/dbraw/zinc/63/85/40/505638540.db2.gz GRLKINYXXXXFAC-FUHIMQAGSA-N 2 1 354.498 3.272 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000579896418 505639662 /nfs/dbraw/zinc/63/96/62/505639662.db2.gz JOATXXWUJADCCU-OAQYLSRUSA-N 2 1 372.557 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1Cc1ccccc1)Nc1cccc2c1CC[NH2+]C2 ZINC000568226361 505648117 /nfs/dbraw/zinc/64/81/17/505648117.db2.gz RDJXIXSWXCKJHI-IBGZPJMESA-N 2 1 364.493 3.118 20 0 FGADMP C[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952998 505651609 /nfs/dbraw/zinc/65/16/09/505651609.db2.gz YTEHXAMIGVMPRK-WMLDXEAASA-N 2 1 371.447 3.128 20 0 FGADMP C[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952996 505651636 /nfs/dbraw/zinc/65/16/36/505651636.db2.gz YTEHXAMIGVMPRK-PBHICJAKSA-N 2 1 371.447 3.128 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1(F)F ZINC000577063286 505656130 /nfs/dbraw/zinc/65/61/30/505656130.db2.gz DZSGKIYXDHVKIR-OKZBNKHCSA-N 2 1 350.453 3.322 20 0 FGADMP O[C@@H]1[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1(F)F ZINC000577063286 505656135 /nfs/dbraw/zinc/65/61/35/505656135.db2.gz DZSGKIYXDHVKIR-OKZBNKHCSA-N 2 1 350.453 3.322 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000577069798 505657810 /nfs/dbraw/zinc/65/78/10/505657810.db2.gz VOKNNVVCCGHWIZ-SFHVURJKSA-N 2 1 372.557 3.331 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC(C)(C)CC(C)C)CC2)CC1 ZINC000573932321 505654551 /nfs/dbraw/zinc/65/45/51/505654551.db2.gz JAMIPPWROZVOKL-UHFFFAOYSA-N 2 1 351.579 3.371 20 0 FGADMP CSC1(C[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000568333833 505668528 /nfs/dbraw/zinc/66/85/28/505668528.db2.gz MEONPBXYIWKMPZ-SFHVURJKSA-N 2 1 362.518 3.066 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000057825953 493804187 /nfs/dbraw/zinc/80/41/87/493804187.db2.gz GOCFLARBEGGXLF-LEWJYISDSA-N 2 1 369.509 3.107 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OCC(F)(F)F ZINC000568393870 505683984 /nfs/dbraw/zinc/68/39/84/505683984.db2.gz UPRGOCZULFLMPM-IYBDPMFKSA-N 2 1 372.431 3.458 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000068597366 493846317 /nfs/dbraw/zinc/84/63/17/493846317.db2.gz LJIKAKSQVCAGHE-ROUUACIJSA-N 2 1 360.546 3.200 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)ccc1F ZINC000076331537 493867124 /nfs/dbraw/zinc/86/71/24/493867124.db2.gz RHENUXIKNUIWGV-INIZCTEOSA-N 2 1 350.482 3.014 20 0 FGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000049553794 493875680 /nfs/dbraw/zinc/87/56/80/493875680.db2.gz RYNBISYBVRYCPX-LBPRGKRZSA-N 2 1 357.292 3.040 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)C3CC3)cc2)C1 ZINC000081363739 493879735 /nfs/dbraw/zinc/87/97/35/493879735.db2.gz FTFUMLCWZKJTEW-IBGZPJMESA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[N@H+](CC)C3CC3)cc2)C1 ZINC000081363739 493879737 /nfs/dbraw/zinc/87/97/37/493879737.db2.gz FTFUMLCWZKJTEW-IBGZPJMESA-N 2 1 357.542 3.475 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000081363739 493879739 /nfs/dbraw/zinc/87/97/39/493879739.db2.gz FTFUMLCWZKJTEW-IBGZPJMESA-N 2 1 357.542 3.475 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000568410663 505687805 /nfs/dbraw/zinc/68/78/05/505687805.db2.gz UUCJBQSTNLBDIS-JWTNVVGKSA-N 2 1 357.498 3.165 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000568410663 505687809 /nfs/dbraw/zinc/68/78/09/505687809.db2.gz UUCJBQSTNLBDIS-JWTNVVGKSA-N 2 1 357.498 3.165 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000059992955 493910861 /nfs/dbraw/zinc/91/08/61/493910861.db2.gz GKWQHHYEDOTEJD-HDICACEKSA-N 2 1 366.594 3.355 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc1OCc1ccncc1 ZINC000030906896 493912491 /nfs/dbraw/zinc/91/24/91/493912491.db2.gz KHJVAMDIPMASGZ-LJQANCHMSA-N 2 1 367.493 3.243 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577237229 505692541 /nfs/dbraw/zinc/69/25/41/505692541.db2.gz BWMZEGYMOXWHBJ-RRFJBIMHSA-N 2 1 365.484 3.132 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577237229 505692547 /nfs/dbraw/zinc/69/25/47/505692547.db2.gz BWMZEGYMOXWHBJ-RRFJBIMHSA-N 2 1 365.484 3.132 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000577237229 505692550 /nfs/dbraw/zinc/69/25/50/505692550.db2.gz BWMZEGYMOXWHBJ-RRFJBIMHSA-N 2 1 365.484 3.132 20 0 FGADMP Cc1cccc(NC2CC[NH+](CCC(=O)Nc3cc(N)ccc3F)CC2)[nH+]1 ZINC000083198302 494006776 /nfs/dbraw/zinc/00/67/76/494006776.db2.gz GKRCYTFMOGBDEU-UHFFFAOYSA-N 2 1 371.460 3.016 20 0 FGADMP CC(C)[NH+]1CCC([NH+](C)CCCC[N@H+](C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000077274169 494046171 /nfs/dbraw/zinc/04/61/71/494046171.db2.gz IRMHQXFJZDQPNR-UHFFFAOYSA-N 4 1 366.638 3.376 20 0 FGADMP O[C@H](CCc1ccccc1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000568450159 505696405 /nfs/dbraw/zinc/69/64/05/505696405.db2.gz LQAHWBNRYSBRNR-KMDXXIMOSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568450159 505696408 /nfs/dbraw/zinc/69/64/08/505696408.db2.gz LQAHWBNRYSBRNR-KMDXXIMOSA-N 2 1 364.533 3.434 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000568450159 505696412 /nfs/dbraw/zinc/69/64/12/505696412.db2.gz LQAHWBNRYSBRNR-KMDXXIMOSA-N 2 1 364.533 3.434 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000086393905 494151616 /nfs/dbraw/zinc/15/16/16/494151616.db2.gz KSGBKIVXKDOFML-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+](C)C2CCCC2)cc1 ZINC000086393905 494151618 /nfs/dbraw/zinc/15/16/18/494151618.db2.gz KSGBKIVXKDOFML-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000086428624 494153370 /nfs/dbraw/zinc/15/33/70/494153370.db2.gz WYQWBLJLCWZSIT-CVAIRZPRSA-N 2 1 369.513 3.414 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000054509975 494242407 /nfs/dbraw/zinc/24/24/07/494242407.db2.gz CFTLSDKGOYKJKY-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000088696102 494255183 /nfs/dbraw/zinc/25/51/83/494255183.db2.gz LBBHEXKDTLCOCY-HXUWFJFHSA-N 3 1 358.574 3.040 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000088696102 494255188 /nfs/dbraw/zinc/25/51/88/494255188.db2.gz LBBHEXKDTLCOCY-HXUWFJFHSA-N 2 1 358.574 3.040 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000088696102 494255190 /nfs/dbraw/zinc/25/51/90/494255190.db2.gz LBBHEXKDTLCOCY-HXUWFJFHSA-N 2 1 358.574 3.040 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000088719908 494256539 /nfs/dbraw/zinc/25/65/39/494256539.db2.gz KGJRGJSBMDDPDA-IRLDBZIGSA-N 2 1 371.569 3.132 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000043144376 494269802 /nfs/dbraw/zinc/26/98/02/494269802.db2.gz DMJJUCUAONOBKA-SJORKVTESA-N 2 1 366.575 3.162 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066196709 494288267 /nfs/dbraw/zinc/28/82/67/494288267.db2.gz OUCLVJFWBMGUNI-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073034068 494310179 /nfs/dbraw/zinc/31/01/79/494310179.db2.gz FWRYYLVHHPJQKZ-HKUYNNGSSA-N 2 1 363.571 3.013 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523132 494313644 /nfs/dbraw/zinc/31/36/44/494313644.db2.gz SSCZEDVZGLAYOW-UYAOXDASSA-N 2 1 360.546 3.017 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524401 494313733 /nfs/dbraw/zinc/31/37/33/494313733.db2.gz NASRNYFDTGYXDJ-ICSRJNTNSA-N 2 1 366.594 3.307 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc2nc(C)ccc2c1 ZINC000580245611 505712669 /nfs/dbraw/zinc/71/26/69/505712669.db2.gz WNMRVZRZFUTGIM-OAQYLSRUSA-N 2 1 354.542 3.391 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000089543730 494322592 /nfs/dbraw/zinc/32/25/92/494322592.db2.gz ZJERWQSOLDAMKE-MNEFBYGVSA-N 2 1 368.468 3.310 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000043860612 494325191 /nfs/dbraw/zinc/32/51/91/494325191.db2.gz IKFNBWOEVNYHDV-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)c3ccccc3F)CC2)CC1 ZINC000066568090 494356997 /nfs/dbraw/zinc/35/69/97/494356997.db2.gz OKEMRHXJLUBRBK-QGZVFWFLSA-N 2 1 361.505 3.153 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCCC[C@@H]2C)on1 ZINC000056156211 494463138 /nfs/dbraw/zinc/46/31/38/494463138.db2.gz RQJVQXYWRYOECI-IRXDYDNUSA-N 2 1 370.497 3.474 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCCC[C@@H]2C)on1 ZINC000056156211 494463143 /nfs/dbraw/zinc/46/31/43/494463143.db2.gz RQJVQXYWRYOECI-IRXDYDNUSA-N 2 1 370.497 3.474 20 0 FGADMP Clc1cccnc1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090408818 494463676 /nfs/dbraw/zinc/46/36/76/494463676.db2.gz DTUNBHNAQSDLGX-UHFFFAOYSA-N 2 1 359.901 3.411 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000090524005 494478035 /nfs/dbraw/zinc/47/80/35/494478035.db2.gz YTMAKLPQQXFEJQ-JHVJFLLYSA-N 2 1 359.514 3.064 20 0 FGADMP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168716 494491524 /nfs/dbraw/zinc/49/15/24/494491524.db2.gz PYHXKSNCKWWDDA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000074168716 494491527 /nfs/dbraw/zinc/49/15/27/494491527.db2.gz PYHXKSNCKWWDDA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000074168716 494491532 /nfs/dbraw/zinc/49/15/32/494491532.db2.gz PYHXKSNCKWWDDA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168721 494491611 /nfs/dbraw/zinc/49/16/11/494491611.db2.gz PYHXKSNCKWWDDA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000074168721 494491614 /nfs/dbraw/zinc/49/16/14/494491614.db2.gz PYHXKSNCKWWDDA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CNC(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000074168721 494491618 /nfs/dbraw/zinc/49/16/18/494491618.db2.gz PYHXKSNCKWWDDA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000568570155 505724407 /nfs/dbraw/zinc/72/44/07/505724407.db2.gz OBNBHHJTCMNGBC-HSZRJFAPSA-N 2 1 368.521 3.415 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000079709777 494512524 /nfs/dbraw/zinc/51/25/24/494512524.db2.gz CSLPNDYHOUZUIK-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C[NH+](C)Cc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000079709777 494512525 /nfs/dbraw/zinc/51/25/25/494512525.db2.gz CSLPNDYHOUZUIK-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709777 494512528 /nfs/dbraw/zinc/51/25/28/494512528.db2.gz CSLPNDYHOUZUIK-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000079709777 494512530 /nfs/dbraw/zinc/51/25/30/494512530.db2.gz CSLPNDYHOUZUIK-SIKLNZKXSA-N 2 1 365.521 3.288 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000067390369 494530416 /nfs/dbraw/zinc/53/04/16/494530416.db2.gz QWVZSPWGAPWKJM-RBUKOAKNSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588035 494679715 /nfs/dbraw/zinc/67/97/15/494679715.db2.gz ZXQCVFFNHNUERG-UYAOXDASSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588035 494679721 /nfs/dbraw/zinc/67/97/21/494679721.db2.gz ZXQCVFFNHNUERG-UYAOXDASSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588035 494679725 /nfs/dbraw/zinc/67/97/25/494679725.db2.gz ZXQCVFFNHNUERG-UYAOXDASSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588035 494679732 /nfs/dbraw/zinc/67/97/32/494679732.db2.gz ZXQCVFFNHNUERG-UYAOXDASSA-N 2 1 353.514 3.354 20 0 FGADMP CN(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000092820871 494760714 /nfs/dbraw/zinc/76/07/14/494760714.db2.gz NPBQPRUETRCDOO-UHFFFAOYSA-N 2 1 366.509 3.283 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc(Br)c(F)c1)C1CC[NH+](C)CC1 ZINC000126467565 494761269 /nfs/dbraw/zinc/76/12/69/494761269.db2.gz NOUIFPQGCORAGH-UHFFFAOYSA-N 2 1 372.326 3.046 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821342 494764347 /nfs/dbraw/zinc/76/43/47/494764347.db2.gz ZBGREGSGYIGCDO-SFHVURJKSA-N 2 1 360.546 3.315 20 0 FGADMP CC1CCC(NC(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000092821127 494764506 /nfs/dbraw/zinc/76/45/06/494764506.db2.gz DBQQBRPRYBCSDQ-UHFFFAOYSA-N 2 1 372.557 3.315 20 0 FGADMP c1cc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)ccn1 ZINC000121590601 494814080 /nfs/dbraw/zinc/81/40/80/494814080.db2.gz UBBWVAXXTDTFON-NJYVYQBISA-N 2 1 355.526 3.026 20 0 FGADMP Cn1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc2ccccc2c1=O ZINC000121794077 494861865 /nfs/dbraw/zinc/86/18/65/494861865.db2.gz RAZCUYDATWVNFP-UHFFFAOYSA-N 2 1 368.525 3.022 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]C3CCN(Cc4cccnc4)CC3)CC2)cc1 ZINC000132361100 494862540 /nfs/dbraw/zinc/86/25/40/494862540.db2.gz TVGRGCQXKDGGIT-UHFFFAOYSA-N 2 1 364.537 3.300 20 0 FGADMP C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000132552890 494891709 /nfs/dbraw/zinc/89/17/09/494891709.db2.gz GSQLUVMLTRVTMY-SFHVURJKSA-N 2 1 357.542 3.014 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)nc3ccccn32)CC1 ZINC000122103414 494923740 /nfs/dbraw/zinc/92/37/40/494923740.db2.gz WIIOLCFOGXEACZ-UHFFFAOYSA-N 2 1 358.530 3.213 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000132975976 494951487 /nfs/dbraw/zinc/95/14/87/494951487.db2.gz XMOAOUNOQCADFL-OAHLLOKOSA-N 2 1 354.450 3.307 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)o2)cc1 ZINC000132975976 494951490 /nfs/dbraw/zinc/95/14/90/494951490.db2.gz XMOAOUNOQCADFL-OAHLLOKOSA-N 2 1 354.450 3.307 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)Cc1ccco1 ZINC000571514003 505751735 /nfs/dbraw/zinc/75/17/35/505751735.db2.gz MHTPPQAZZACBTH-IZBOUPIGSA-N 2 1 368.521 3.463 20 0 FGADMP c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000122407931 494970170 /nfs/dbraw/zinc/97/01/70/494970170.db2.gz MKWBQBGDCUMVBE-VGOFRKELSA-N 2 1 370.537 3.480 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000118030551 494971617 /nfs/dbraw/zinc/97/16/17/494971617.db2.gz VUMSURXAUGAYBB-MSOLQXFVSA-N 2 1 374.529 3.076 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@H](C)C1 ZINC000127748174 494991893 /nfs/dbraw/zinc/99/18/93/494991893.db2.gz DAIZZPHYCUPGDH-GIVPXCGWSA-N 2 1 372.557 3.195 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000128265208 495069532 /nfs/dbraw/zinc/06/95/32/495069532.db2.gz IJBMSNSNMDQMIR-GOSISDBHSA-N 2 1 366.347 3.054 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000128270205 495070474 /nfs/dbraw/zinc/07/04/74/495070474.db2.gz SFJVDPKVGJDYMX-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000128411411 495092548 /nfs/dbraw/zinc/09/25/48/495092548.db2.gz JKZSOPLZLMPPKQ-IAGOWNOFSA-N 2 1 360.571 3.406 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123190335 495093841 /nfs/dbraw/zinc/09/38/41/495093841.db2.gz JEWVPEHMJFZGHK-FQEVSTJZSA-N 2 1 358.530 3.030 20 0 FGADMP COc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccc1OC(F)F ZINC000577600863 505761574 /nfs/dbraw/zinc/76/15/74/505761574.db2.gz SZNWNBDTSWWYQI-CZUORRHYSA-N 2 1 350.409 3.345 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123299948 495110982 /nfs/dbraw/zinc/11/09/82/495110982.db2.gz RGKGKSXPKNWGNH-GQIGUUNPSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123299948 495110988 /nfs/dbraw/zinc/11/09/88/495110988.db2.gz RGKGKSXPKNWGNH-GQIGUUNPSA-N 2 1 369.513 3.366 20 0 FGADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C(F)(F)F)c1 ZINC000134142355 495112265 /nfs/dbraw/zinc/11/22/65/495112265.db2.gz WHDUNEUVTVFFGN-UHFFFAOYSA-N 2 1 360.395 3.389 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](CC)C2)CC1 ZINC000111881076 495124874 /nfs/dbraw/zinc/12/48/74/495124874.db2.gz WDNWZHDBIFBVJC-SFHVURJKSA-N 2 1 366.594 3.403 20 0 FGADMP Cc1ccc2c(C[N@@H+]3CCC[C@H](Cc4nccn4C)C3)cc(=O)oc2c1 ZINC000123673482 495169468 /nfs/dbraw/zinc/16/94/68/495169468.db2.gz LKHXSNYLZFLNFT-MRXNPFEDSA-N 2 1 351.450 3.290 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1F ZINC000119565283 495192224 /nfs/dbraw/zinc/19/22/24/495192224.db2.gz ZDBRBFUDRDQCPG-GOSISDBHSA-N 2 1 352.413 3.026 20 0 FGADMP Cc1cccc(C)c1OCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119611760 495201400 /nfs/dbraw/zinc/20/14/00/495201400.db2.gz UVXDJUJCGBRUOS-CBQGHPETSA-N 2 1 371.569 3.315 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccc(F)cc1 ZINC000112545872 495204472 /nfs/dbraw/zinc/20/44/72/495204472.db2.gz UVTRNGCKCLXNOJ-UZLBHIALSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119639404 495207286 /nfs/dbraw/zinc/20/72/86/495207286.db2.gz QSHRBXDNWNHWIS-OAHLLOKOSA-N 2 1 363.933 3.293 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000124197336 495249531 /nfs/dbraw/zinc/24/95/31/495249531.db2.gz KWYAFTINXINSQT-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000124197336 495249533 /nfs/dbraw/zinc/24/95/33/495249533.db2.gz KWYAFTINXINSQT-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000124197336 495249538 /nfs/dbraw/zinc/24/95/38/495249538.db2.gz KWYAFTINXINSQT-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000580492495 505770150 /nfs/dbraw/zinc/77/01/50/505770150.db2.gz JDTSKNPNBQNCFJ-LJQANCHMSA-N 2 1 374.573 3.067 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000574425944 505770390 /nfs/dbraw/zinc/77/03/90/505770390.db2.gz DFHYRRCDSGFMDF-BMQTXXJKSA-N 2 1 372.557 3.104 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1 ZINC000129855984 495305591 /nfs/dbraw/zinc/30/55/91/495305591.db2.gz YONVODPQMDIMJT-KRWDZBQOSA-N 2 1 352.910 3.220 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105113071 495338078 /nfs/dbraw/zinc/33/80/78/495338078.db2.gz HPDCILBTUXGVRD-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571633509 505778029 /nfs/dbraw/zinc/77/80/29/505778029.db2.gz BHOAOGYQLYHRCJ-SJLPKXTDSA-N 2 1 367.896 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000571633509 505778033 /nfs/dbraw/zinc/77/80/33/505778033.db2.gz BHOAOGYQLYHRCJ-SJLPKXTDSA-N 2 1 367.896 3.248 20 0 FGADMP CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125064067 495384471 /nfs/dbraw/zinc/38/44/71/495384471.db2.gz ZDKINMSGRRFUFO-HXUWFJFHSA-N 2 1 373.541 3.406 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000114829745 495432836 /nfs/dbraw/zinc/43/28/36/495432836.db2.gz XTJYAVAIHWFAQM-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000114829745 495432840 /nfs/dbraw/zinc/43/28/40/495432840.db2.gz XTJYAVAIHWFAQM-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000114829745 495432843 /nfs/dbraw/zinc/43/28/43/495432843.db2.gz XTJYAVAIHWFAQM-SFTDATJTSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000114829743 495432893 /nfs/dbraw/zinc/43/28/93/495432893.db2.gz XTJYAVAIHWFAQM-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000114829743 495432898 /nfs/dbraw/zinc/43/28/98/495432898.db2.gz XTJYAVAIHWFAQM-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000114829743 495432901 /nfs/dbraw/zinc/43/29/01/495432901.db2.gz XTJYAVAIHWFAQM-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000130888609 495461460 /nfs/dbraw/zinc/46/14/60/495461460.db2.gz VWHSXKWMIOVNPN-GOSISDBHSA-N 2 1 362.905 3.434 20 0 FGADMP CC[C@@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000130888609 495461464 /nfs/dbraw/zinc/46/14/64/495461464.db2.gz VWHSXKWMIOVNPN-GOSISDBHSA-N 2 1 362.905 3.434 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000139782429 495483325 /nfs/dbraw/zinc/48/33/25/495483325.db2.gz MJBSHQZUABIRON-FPOVZHCZSA-N 2 1 372.557 3.161 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000125855127 495509233 /nfs/dbraw/zinc/50/92/33/495509233.db2.gz SZQFLKACANKVEJ-GJZGRUSLSA-N 2 1 356.507 3.000 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000125855127 495509235 /nfs/dbraw/zinc/50/92/35/495509235.db2.gz SZQFLKACANKVEJ-GJZGRUSLSA-N 2 1 356.507 3.000 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)N1CCSCC1 ZINC000131233489 495510475 /nfs/dbraw/zinc/51/04/75/495510475.db2.gz FMRUERWJYCJQFB-DLBZAZTESA-N 2 1 361.555 3.294 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Br)c(F)c1 ZINC000131243151 495510965 /nfs/dbraw/zinc/51/09/65/495510965.db2.gz IGMWUGVZGNVYTL-LBPRGKRZSA-N 2 1 359.283 3.086 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CS(=O)(=O)c2ccc(C)cc2)c1 ZINC000185352587 495544479 /nfs/dbraw/zinc/54/44/79/495544479.db2.gz RPPYETKRRLBZMQ-SFHVURJKSA-N 2 1 374.550 3.399 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000571678916 505788983 /nfs/dbraw/zinc/78/89/83/505788983.db2.gz BSVKYMTYOPIDBE-KRWDZBQOSA-N 2 1 361.486 3.488 20 0 FGADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000148016312 495580675 /nfs/dbraw/zinc/58/06/75/495580675.db2.gz DPOFQYFIMCXNRY-OALUTQOASA-N 2 1 357.542 3.278 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(Cc3cc4c(cc3Br)OCO4)CC[C@@H]21 ZINC000158863301 495603202 /nfs/dbraw/zinc/60/32/02/495603202.db2.gz LWTFRNXTFBIGKU-WFASDCNBSA-N 2 1 367.287 3.094 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000158903746 495612505 /nfs/dbraw/zinc/61/25/05/495612505.db2.gz BXRPETHYXBIOJO-CJNGLKHVSA-N 2 1 355.404 3.060 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000158909526 495613422 /nfs/dbraw/zinc/61/34/22/495613422.db2.gz FIDCVMPMNFEIPD-AVRDEDQJSA-N 2 1 353.510 3.492 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccccn1 ZINC000158983395 495629987 /nfs/dbraw/zinc/62/99/87/495629987.db2.gz KCZLMFAAOOKGJM-SFHVURJKSA-N 2 1 369.509 3.422 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170872474 495635206 /nfs/dbraw/zinc/63/52/06/495635206.db2.gz MAEWLPIOCPYYML-OAQYLSRUSA-N 2 1 355.526 3.163 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000170872476 495635634 /nfs/dbraw/zinc/63/56/34/495635634.db2.gz BYONFNLXPWUJLS-JOCHJYFZSA-N 2 1 369.553 3.340 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1C1CCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170872475 495636059 /nfs/dbraw/zinc/63/60/59/495636059.db2.gz MAEWLPIOCPYYML-NRFANRHFSA-N 2 1 355.526 3.163 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680066 495676777 /nfs/dbraw/zinc/67/67/77/495676777.db2.gz MJENWZQSPKOPDI-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680066 495676784 /nfs/dbraw/zinc/67/67/84/495676784.db2.gz MJENWZQSPKOPDI-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000154629232 495677058 /nfs/dbraw/zinc/67/70/58/495677058.db2.gz MPAHTIYHRDNKKW-PXNSSMCTSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680643 495677089 /nfs/dbraw/zinc/67/70/89/495677089.db2.gz BVOAFKKAHKCWBR-IRXDYDNUSA-N 2 1 360.498 3.427 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)CC1 ZINC000159188482 495680278 /nfs/dbraw/zinc/68/02/78/495680278.db2.gz IVTABBUMKGBCOY-SFHVURJKSA-N 2 1 356.514 3.083 20 0 FGADMP C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713498 495692739 /nfs/dbraw/zinc/69/27/39/495692739.db2.gz VRTWYYKGPIMGLD-LSDHHAIUSA-N 2 1 374.916 3.091 20 0 FGADMP C[C@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713498 495692743 /nfs/dbraw/zinc/69/27/43/495692743.db2.gz VRTWYYKGPIMGLD-LSDHHAIUSA-N 2 1 374.916 3.091 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725906 495698244 /nfs/dbraw/zinc/69/82/44/495698244.db2.gz WRMZMHHJCHPLFM-MOPGFXCFSA-N 2 1 369.553 3.425 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725906 495698249 /nfs/dbraw/zinc/69/82/49/495698249.db2.gz WRMZMHHJCHPLFM-MOPGFXCFSA-N 2 1 369.553 3.425 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176571813 495704227 /nfs/dbraw/zinc/70/42/27/495704227.db2.gz CLIIRWFWFGKLMN-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000151091291 495735130 /nfs/dbraw/zinc/73/51/30/495735130.db2.gz KNYQOTRMZBPFNF-SVFBPWRDSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000151091291 495735132 /nfs/dbraw/zinc/73/51/32/495735132.db2.gz KNYQOTRMZBPFNF-SVFBPWRDSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000151091291 495735141 /nfs/dbraw/zinc/73/51/41/495735141.db2.gz KNYQOTRMZBPFNF-SVFBPWRDSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000151091291 495735145 /nfs/dbraw/zinc/73/51/45/495735145.db2.gz KNYQOTRMZBPFNF-SVFBPWRDSA-N 2 1 358.574 3.392 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182874762 495737394 /nfs/dbraw/zinc/73/73/94/495737394.db2.gz GPGGGJMGDATCJS-ZWKOTPCHSA-N 2 1 364.578 3.155 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959997 495765030 /nfs/dbraw/zinc/76/50/30/495765030.db2.gz XOUBKMOVRCCLNC-SFHVURJKSA-N 2 1 373.541 3.153 20 0 FGADMP C[C@@H](NC(=O)NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182954999 495773150 /nfs/dbraw/zinc/77/31/50/495773150.db2.gz JTTVTXHLCZYAPT-MSOLQXFVSA-N 2 1 364.578 3.251 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151325819 495805852 /nfs/dbraw/zinc/80/58/52/495805852.db2.gz JALXNBKARLUSJU-DENIHFKCSA-N 2 1 370.541 3.158 20 0 FGADMP Cc1[nH]nc2ncc(C[N@@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658365 505807177 /nfs/dbraw/zinc/80/71/77/505807177.db2.gz DYYFBZGXPJNJGM-UXHICEINSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@H]4CC[NH+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658365 505807179 /nfs/dbraw/zinc/80/71/79/505807179.db2.gz DYYFBZGXPJNJGM-UXHICEINSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@H]4CC[N@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658365 505807181 /nfs/dbraw/zinc/80/71/81/505807181.db2.gz DYYFBZGXPJNJGM-UXHICEINSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)cc12 ZINC000580658365 505807183 /nfs/dbraw/zinc/80/71/83/505807183.db2.gz DYYFBZGXPJNJGM-UXHICEINSA-N 2 1 361.493 3.220 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000180167630 495889911 /nfs/dbraw/zinc/88/99/11/495889911.db2.gz HHEFVXZJJJAXOS-XCSKNGGISA-N 2 1 362.521 3.446 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnn4ccccc34)CC2)C[C@H](C)O1 ZINC000180181836 495894968 /nfs/dbraw/zinc/89/49/68/495894968.db2.gz FDVZSSCVDWOGOW-HDICACEKSA-N 2 1 356.514 3.046 20 0 FGADMP C[C@H]1[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000571772386 505812363 /nfs/dbraw/zinc/81/23/63/505812363.db2.gz QKVDHYHFADAGFZ-YWZLYKJASA-N 2 1 350.466 3.074 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000171741318 496016024 /nfs/dbraw/zinc/01/60/24/496016024.db2.gz DJOLOOVSUUEHJL-KDURUIRLSA-N 2 1 357.542 3.339 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183574558 496036537 /nfs/dbraw/zinc/03/65/37/496036537.db2.gz FWXFLYRTTFWRMI-INIZCTEOSA-N 2 1 352.482 3.103 20 0 FGADMP COc1ccccc1NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183675994 496074109 /nfs/dbraw/zinc/07/41/09/496074109.db2.gz WHGQSIYJOVULQA-HNNXBMFYSA-N 2 1 364.449 3.479 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COCc2ccco2)cc1 ZINC000183687976 496080416 /nfs/dbraw/zinc/08/04/16/496080416.db2.gz KCPKGKNIUOXMOT-HNAYVOBHSA-N 2 1 355.438 3.002 20 0 FGADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000183699487 496085937 /nfs/dbraw/zinc/08/59/37/496085937.db2.gz WYPHYENHZXQGSD-MRXNPFEDSA-N 2 1 360.498 3.296 20 0 FGADMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc(C)c1OC(F)F ZINC000171926486 496095121 /nfs/dbraw/zinc/09/51/21/496095121.db2.gz LBZLSFAKJQAUKN-UHFFFAOYSA-N 2 1 367.484 3.118 20 0 FGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000152383058 496133808 /nfs/dbraw/zinc/13/38/08/496133808.db2.gz WZVSLGXZAYABOZ-OWCLPIDISA-N 2 1 350.576 3.376 20 0 FGADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000152383058 496133812 /nfs/dbraw/zinc/13/38/12/496133812.db2.gz WZVSLGXZAYABOZ-OWCLPIDISA-N 2 1 350.576 3.376 20 0 FGADMP O=C(NCc1ccc(Cn2ccnc2)cc1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177674746 496155374 /nfs/dbraw/zinc/15/53/74/496155374.db2.gz ZVTOONCDFWTYBF-FQEVSTJZSA-N 2 1 366.509 3.202 20 0 FGADMP COCCN(CCOC)C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000577986806 505834505 /nfs/dbraw/zinc/83/45/05/505834505.db2.gz PFGKAPCWAYVZGZ-UHFFFAOYSA-N 2 1 371.525 3.102 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC2(C[NH3+])CCCCC2)cc1F ZINC000184228476 496295612 /nfs/dbraw/zinc/29/56/12/496295612.db2.gz SAVJFIKIESYUEV-UHFFFAOYSA-N 2 1 358.461 3.235 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ncc(Br)cc1F ZINC000187160237 496318492 /nfs/dbraw/zinc/31/84/92/496318492.db2.gz VHWJTJRLPONBCA-MNOVXSKESA-N 2 1 355.255 3.475 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cncc(C)c3)cc2)CC1 ZINC000184282357 496318950 /nfs/dbraw/zinc/31/89/50/496318950.db2.gz JRCBGFYTEHRHPB-IBGZPJMESA-N 2 1 352.526 3.378 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](CCCCC[NH+]2CCC([NH2+]C(C)C)CC2)CC1 ZINC000172654829 496376087 /nfs/dbraw/zinc/37/60/87/496376087.db2.gz AVYDJHHCBBXAJZ-UHFFFAOYSA-N 4 1 352.611 3.082 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000175442391 496393162 /nfs/dbraw/zinc/39/31/62/496393162.db2.gz NCULYZLRPWLRMP-UHFFFAOYSA-N 2 1 351.494 3.143 20 0 FGADMP COc1ncccc1CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000580803328 505841342 /nfs/dbraw/zinc/84/13/42/505841342.db2.gz GMFDBHBCEICSMA-UHFFFAOYSA-N 2 1 357.473 3.069 20 0 FGADMP COC(=O)[C@H](c1cccnc1)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157078220 496401368 /nfs/dbraw/zinc/40/13/68/496401368.db2.gz CTLUSEVMYQZEED-XLIONFOSSA-N 2 1 359.514 3.272 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]CCCCN2CC[NH+](CC)CC2)C12CCCCC2 ZINC000181493592 496418796 /nfs/dbraw/zinc/41/87/96/496418796.db2.gz UKLKEPALCIUXRW-UXHICEINSA-N 2 1 351.579 3.122 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000578024496 505843620 /nfs/dbraw/zinc/84/36/20/505843620.db2.gz ZMAHHLOGIAXEQN-SFHVURJKSA-N 2 1 351.922 3.133 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162930629 496434865 /nfs/dbraw/zinc/43/48/65/496434865.db2.gz WNRCFBJEIIKGFZ-OIBXWCBGSA-N 3 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162930629 496434872 /nfs/dbraw/zinc/43/48/72/496434872.db2.gz WNRCFBJEIIKGFZ-OIBXWCBGSA-N 2 1 371.569 3.261 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000184553527 496435982 /nfs/dbraw/zinc/43/59/82/496435982.db2.gz MIKRGFRPUPYCIU-NRFANRHFSA-N 2 1 374.573 3.315 20 0 FGADMP CC[C@@]1(CO)CCC[N@@H+](CCCCC[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000187547592 496485393 /nfs/dbraw/zinc/48/53/93/496485393.db2.gz HOMAUEJSXMHTON-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CC[C@@]1(CO)CCC[NH+](CCCCC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000187547592 496485397 /nfs/dbraw/zinc/48/53/97/496485397.db2.gz HOMAUEJSXMHTON-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CC[C@@]1(CO)CCC[NH+](CCCCC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000187547592 496485403 /nfs/dbraw/zinc/48/54/03/496485403.db2.gz HOMAUEJSXMHTON-OYRHEFFESA-N 2 1 354.579 3.126 20 0 FGADMP CCC(CC)[C@H](CNC(=O)NC[C@@H](C)Cn1cc[nH+]c1C)[NH+]1CCCC1 ZINC000157521476 496493852 /nfs/dbraw/zinc/49/38/52/496493852.db2.gz VVGXOVRNMYRPLJ-APWZRJJASA-N 2 1 363.550 3.027 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C3CCCC3)cc2)C1 ZINC000163310674 496496326 /nfs/dbraw/zinc/49/63/26/496496326.db2.gz HTKJYCXHNLXZDQ-DLBZAZTESA-N 2 1 364.555 3.395 20 0 FGADMP COc1cccc2cc([C@@H](C)[NH2+]CC3CCN(CC[NH+](C)C)CC3)oc21 ZINC000181697714 496507526 /nfs/dbraw/zinc/50/75/26/496507526.db2.gz UNFXIZIXYCQJEZ-MRXNPFEDSA-N 2 1 359.514 3.366 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)C12CCC2 ZINC000181740776 496524829 /nfs/dbraw/zinc/52/48/29/496524829.db2.gz SZVGLMKRWQCPLR-MOPGFXCFSA-N 2 1 361.530 3.441 20 0 FGADMP C[C@@H](CC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C1CC[NH2+]CC1 ZINC000178662741 496532361 /nfs/dbraw/zinc/53/23/61/496532361.db2.gz YHPJBZBBTJTZOZ-KBXCAEBGSA-N 2 1 351.922 3.085 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000157746468 496544539 /nfs/dbraw/zinc/54/45/39/496544539.db2.gz ZEJZCAXPCWXRIF-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000175844353 496569713 /nfs/dbraw/zinc/56/97/13/496569713.db2.gz RGJQUANJEHMMMG-GOSISDBHSA-N 2 1 357.502 3.048 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H]2CCCSc3ccc(OC)cc32)CC1 ZINC000187842176 496592384 /nfs/dbraw/zinc/59/23/84/496592384.db2.gz WEULALFPVSMEDI-SFHVURJKSA-N 2 1 350.528 3.323 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000158109606 496629529 /nfs/dbraw/zinc/62/95/29/496629529.db2.gz XOSIIVKDAMQGCT-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C(=O)N(C)C)CCCC2)cc1 ZINC000165109384 496648698 /nfs/dbraw/zinc/64/86/98/496648698.db2.gz CGEMERKIPFMBAD-MRXNPFEDSA-N 2 1 354.498 3.480 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2coc(C[NH3+])c2)C1 ZINC000188068528 496669904 /nfs/dbraw/zinc/66/99/04/496669904.db2.gz HBCUYULQKQPEFE-IYBDPMFKSA-N 2 1 355.482 3.146 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803137 505858975 /nfs/dbraw/zinc/85/89/75/505858975.db2.gz IIFMIVIKVKPCGX-LLBVYWAGSA-N 2 1 363.505 3.372 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803137 505858979 /nfs/dbraw/zinc/85/89/79/505858979.db2.gz IIFMIVIKVKPCGX-LLBVYWAGSA-N 2 1 363.505 3.372 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000580881567 505859380 /nfs/dbraw/zinc/85/93/80/505859380.db2.gz UOWAFCLVXSHPFD-KRWDZBQOSA-N 2 1 374.504 3.390 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000173422391 496686480 /nfs/dbraw/zinc/68/64/80/496686480.db2.gz DHZJORUGURJMMD-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166506897 496687797 /nfs/dbraw/zinc/68/77/97/496687797.db2.gz VVULJLDURUCGMH-MISYRCLQSA-N 2 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166506897 496687802 /nfs/dbraw/zinc/68/78/02/496687802.db2.gz VVULJLDURUCGMH-MISYRCLQSA-N 3 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166506897 496687806 /nfs/dbraw/zinc/68/78/06/496687806.db2.gz VVULJLDURUCGMH-MISYRCLQSA-N 3 1 374.548 3.245 20 0 FGADMP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166772862 496692795 /nfs/dbraw/zinc/69/27/95/496692795.db2.gz POSCQAJXTOZTFP-FGZHOGPDSA-N 3 1 371.569 3.274 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000580882058 505860094 /nfs/dbraw/zinc/86/00/94/505860094.db2.gz JAIOHGXTFFMBHQ-RTWAWAEBSA-N 2 1 368.525 3.355 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000168556969 496710628 /nfs/dbraw/zinc/71/06/28/496710628.db2.gz JPKBZUGZNMHUPW-UHFFFAOYSA-N 2 1 372.340 3.462 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000169102687 496714857 /nfs/dbraw/zinc/71/48/57/496714857.db2.gz IXMLBSWCURPCHE-OLMNPRSZSA-N 2 1 355.448 3.210 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000169102687 496714862 /nfs/dbraw/zinc/71/48/62/496714862.db2.gz IXMLBSWCURPCHE-OLMNPRSZSA-N 2 1 355.448 3.210 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c(OC)c1 ZINC000182261272 496722426 /nfs/dbraw/zinc/72/24/26/496722426.db2.gz NQPVUBGOHVCBTQ-APWZRJJASA-N 2 1 370.493 3.121 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179263271 496722573 /nfs/dbraw/zinc/72/25/73/496722573.db2.gz APLNWQAHUUAZEA-HMXCVIKNSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000179263271 496722575 /nfs/dbraw/zinc/72/25/75/496722575.db2.gz APLNWQAHUUAZEA-HMXCVIKNSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000179263271 496722579 /nfs/dbraw/zinc/72/25/79/496722579.db2.gz APLNWQAHUUAZEA-HMXCVIKNSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccccc1N(C)C ZINC000182273180 496724322 /nfs/dbraw/zinc/72/43/22/496724322.db2.gz GBSTXZGQISLZAM-XLIONFOSSA-N 2 1 353.510 3.170 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246959550 496736023 /nfs/dbraw/zinc/73/60/23/496736023.db2.gz HTDXBVAICWYVMR-UONOGXRCSA-N 2 1 353.894 3.058 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991303 496745684 /nfs/dbraw/zinc/74/56/84/496745684.db2.gz KELIKHPMHKMVFT-WFASDCNBSA-N 2 1 369.303 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991303 496745688 /nfs/dbraw/zinc/74/56/88/496745688.db2.gz KELIKHPMHKMVFT-WFASDCNBSA-N 2 1 369.303 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991303 496745692 /nfs/dbraw/zinc/74/56/92/496745692.db2.gz KELIKHPMHKMVFT-WFASDCNBSA-N 2 1 369.303 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(Br)c2)OCO3)[C@@H](C)C1 ZINC000246991303 496745698 /nfs/dbraw/zinc/74/56/98/496745698.db2.gz KELIKHPMHKMVFT-WFASDCNBSA-N 2 1 369.303 3.340 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000194889625 496749815 /nfs/dbraw/zinc/74/98/15/496749815.db2.gz DTJJCXXDQCLKRO-KRWDZBQOSA-N 2 1 371.529 3.167 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000194889625 496749820 /nfs/dbraw/zinc/74/98/20/496749820.db2.gz DTJJCXXDQCLKRO-KRWDZBQOSA-N 2 1 371.529 3.167 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000247061965 496767207 /nfs/dbraw/zinc/76/72/07/496767207.db2.gz PONDWBPJYRNQDB-HDEZJCGLSA-N 2 1 351.922 3.246 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767618 /nfs/dbraw/zinc/76/76/18/496767618.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCN[C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767620 /nfs/dbraw/zinc/76/76/20/496767620.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@H]2CC[NH+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767626 /nfs/dbraw/zinc/76/76/26/496767626.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767629 /nfs/dbraw/zinc/76/76/29/496767629.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)C1 ZINC000247059888 496767635 /nfs/dbraw/zinc/76/76/35/496767635.db2.gz NSUJBXLGGBIWBB-IIZPIQPGSA-N 2 1 358.574 3.250 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCCOc2cccc(Cl)c2)CC1 ZINC000191456995 496769162 /nfs/dbraw/zinc/76/91/62/496769162.db2.gz HGVCYVNPYPHGGM-UHFFFAOYSA-N 2 1 367.965 3.457 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1nnc2n1CCCCC2 ZINC000268748621 496772905 /nfs/dbraw/zinc/77/29/05/496772905.db2.gz ISLSTFOLDCLMII-UYAOXDASSA-N 2 1 367.541 3.047 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268773971 496781566 /nfs/dbraw/zinc/78/15/66/496781566.db2.gz MTZPEQHXXCIGDN-GIVPXCGWSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268773971 496781570 /nfs/dbraw/zinc/78/15/70/496781570.db2.gz MTZPEQHXXCIGDN-GIVPXCGWSA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788979 496786439 /nfs/dbraw/zinc/78/64/39/496786439.db2.gz LEARRUCMKKAGAA-GUXCAODWSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788979 496786443 /nfs/dbraw/zinc/78/64/43/496786443.db2.gz LEARRUCMKKAGAA-GUXCAODWSA-N 2 1 352.482 3.152 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCS2 ZINC000191516235 496794046 /nfs/dbraw/zinc/79/40/46/496794046.db2.gz CFLKRSRXBGLMPT-HNAYVOBHSA-N 2 1 362.539 3.323 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)C1 ZINC000268822936 496795714 /nfs/dbraw/zinc/79/57/14/496795714.db2.gz IAROOUYYSWSNIM-SJORKVTESA-N 2 1 350.503 3.103 20 0 FGADMP Cc1ccn2cc(C[NH2+][C@H](C)c3cccc(OCC[NH+](C)C)c3)nc2c1 ZINC000268855120 496804388 /nfs/dbraw/zinc/80/43/88/496804388.db2.gz IEKZQLSYCUCNHX-QGZVFWFLSA-N 2 1 352.482 3.434 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000268861198 496806916 /nfs/dbraw/zinc/80/69/16/496806916.db2.gz FESBWJFRNBHUEX-INIZCTEOSA-N 2 1 361.486 3.356 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000268863798 496807629 /nfs/dbraw/zinc/80/76/29/496807629.db2.gz DWWYZQQLVOTXFI-PBASOCQRSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1 ZINC000268863798 496807631 /nfs/dbraw/zinc/80/76/31/496807631.db2.gz DWWYZQQLVOTXFI-PBASOCQRSA-N 2 1 357.542 3.134 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000574850095 505868127 /nfs/dbraw/zinc/86/81/27/505868127.db2.gz HBDAZBRCWQTNTA-LEWJYISDSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432328 496858391 /nfs/dbraw/zinc/85/83/91/496858391.db2.gz WQEBATIQTAYKMR-IRFCIJBXSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432328 496858398 /nfs/dbraw/zinc/85/83/98/496858398.db2.gz WQEBATIQTAYKMR-IRFCIJBXSA-N 2 1 374.573 3.411 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247432328 496858402 /nfs/dbraw/zinc/85/84/02/496858402.db2.gz WQEBATIQTAYKMR-IRFCIJBXSA-N 2 1 374.573 3.411 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)COc1ccc(C(F)(F)F)cn1 ZINC000578140011 505870960 /nfs/dbraw/zinc/87/09/60/505870960.db2.gz WILJOFQQAXYECY-UHFFFAOYSA-N 2 1 356.392 3.214 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000247644811 496899613 /nfs/dbraw/zinc/89/96/13/496899613.db2.gz UFONDRQFNPFCHN-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000247644811 496899618 /nfs/dbraw/zinc/89/96/18/496899618.db2.gz UFONDRQFNPFCHN-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000247644811 496899625 /nfs/dbraw/zinc/89/96/25/496899625.db2.gz UFONDRQFNPFCHN-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]2CCC[C@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000247685681 496905090 /nfs/dbraw/zinc/90/50/90/496905090.db2.gz UXIOPJMGQJDCCY-NHCUHLMSSA-N 2 1 355.526 3.163 20 0 FGADMP C[C@@H]1CC2(C[N@@H+]1Cc1nc3c4ccccc4oc3c(=O)[nH]1)CC[NH2+]CC2 ZINC000572028466 505873134 /nfs/dbraw/zinc/87/31/34/505873134.db2.gz WCTVEGQANOZQNX-CYBMUJFWSA-N 2 1 352.438 3.046 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3c4ccccc4oc3c(=O)[nH]1)CC[NH2+]CC2 ZINC000572028466 505873137 /nfs/dbraw/zinc/87/31/37/505873137.db2.gz WCTVEGQANOZQNX-CYBMUJFWSA-N 2 1 352.438 3.046 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1OC(F)F ZINC000247956317 496932427 /nfs/dbraw/zinc/93/24/27/496932427.db2.gz FQKISABHCIMPIK-ZFWWWQNUSA-N 2 1 360.420 3.315 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054964 496949011 /nfs/dbraw/zinc/94/90/11/496949011.db2.gz YBKMQKMFLDKFJZ-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054964 496949016 /nfs/dbraw/zinc/94/90/16/496949016.db2.gz YBKMQKMFLDKFJZ-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054964 496949022 /nfs/dbraw/zinc/94/90/22/496949022.db2.gz YBKMQKMFLDKFJZ-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000248054964 496949030 /nfs/dbraw/zinc/94/90/30/496949030.db2.gz YBKMQKMFLDKFJZ-FCHUYYIVSA-N 2 1 365.521 3.460 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248074729 496952927 /nfs/dbraw/zinc/95/29/27/496952927.db2.gz QXKCZTLTOSSMTP-QHAWAJNXSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000195606598 496953623 /nfs/dbraw/zinc/95/36/23/496953623.db2.gz FOIQZIAMONSGDK-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195606598 496953626 /nfs/dbraw/zinc/95/36/26/496953626.db2.gz FOIQZIAMONSGDK-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000195606598 496953629 /nfs/dbraw/zinc/95/36/29/496953629.db2.gz FOIQZIAMONSGDK-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CCOCC1)c1ccccc1 ZINC000248158675 496965653 /nfs/dbraw/zinc/96/56/53/496965653.db2.gz RTLXWWHRCSXNDI-VNYTWHDVSA-N 2 1 359.558 3.205 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)Nc1nc(N)c2cc(OC)c(OC)cc2[nH+]1 ZINC000248270876 496976653 /nfs/dbraw/zinc/97/66/53/496976653.db2.gz PYDCXFAXMWPVOA-ZDUSSCGKSA-N 2 1 361.490 3.152 20 0 FGADMP CC[C@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCCC1 ZINC000189036246 496985555 /nfs/dbraw/zinc/98/55/55/496985555.db2.gz LRIGUKVIBDASQK-LXPRWKDFSA-N 2 1 369.509 3.058 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248408842 497000919 /nfs/dbraw/zinc/00/09/19/497000919.db2.gz VYFWVFOZMZFIJX-OYNPSCLESA-N 2 1 357.542 3.182 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248410760 497001102 /nfs/dbraw/zinc/00/11/02/497001102.db2.gz YGDWLOUVHKCWEU-CMKODMSKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248410760 497001105 /nfs/dbraw/zinc/00/11/05/497001105.db2.gz YGDWLOUVHKCWEU-CMKODMSKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248410760 497001107 /nfs/dbraw/zinc/00/11/07/497001107.db2.gz YGDWLOUVHKCWEU-CMKODMSKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248410760 497001110 /nfs/dbraw/zinc/00/11/10/497001110.db2.gz YGDWLOUVHKCWEU-CMKODMSKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCO2 ZINC000248440805 497012661 /nfs/dbraw/zinc/01/26/61/497012661.db2.gz JTCCLLIKXOMJLO-UZLBHIALSA-N 2 1 368.477 3.223 20 0 FGADMP COc1cc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1OC ZINC000278352612 497083509 /nfs/dbraw/zinc/08/35/09/497083509.db2.gz AWOKRJVOIIRMND-SJORKVTESA-N 2 1 350.503 3.164 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)[C@H]1c1ccccc1 ZINC000270516053 497143118 /nfs/dbraw/zinc/14/31/18/497143118.db2.gz MDXAFKJQFSLABW-NHCUHLMSSA-N 2 1 370.541 3.092 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](CC)N2CCCC2)CC1 ZINC000236800734 497147325 /nfs/dbraw/zinc/14/73/25/497147325.db2.gz MHMGUHCXOBNVBH-OAQYLSRUSA-N 2 1 358.574 3.183 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000278571949 497155231 /nfs/dbraw/zinc/15/52/31/497155231.db2.gz CYVMRZFRKZGUJG-UHFFFAOYSA-N 2 1 374.529 3.065 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC(OC(C)C)C3)CC2)cs1 ZINC000189537104 497155519 /nfs/dbraw/zinc/15/55/19/497155519.db2.gz RNDRTDHTAXMXJQ-UHFFFAOYSA-N 2 1 351.560 3.463 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCC(F)(F)F ZINC000192651213 497175004 /nfs/dbraw/zinc/17/50/04/497175004.db2.gz HZECINYWEVCRPU-GOOCMWNKSA-N 2 1 358.404 3.351 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCC(F)(F)F ZINC000192651213 497175008 /nfs/dbraw/zinc/17/50/08/497175008.db2.gz HZECINYWEVCRPU-GOOCMWNKSA-N 2 1 358.404 3.351 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274887397 497191135 /nfs/dbraw/zinc/19/11/35/497191135.db2.gz ITEXHGAKQHNKQE-YFVAEKQCSA-N 2 1 354.494 3.229 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000237399139 497230785 /nfs/dbraw/zinc/23/07/85/497230785.db2.gz NMOALQKHYCEHIA-INIZCTEOSA-N 2 1 351.498 3.479 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000237433421 497236952 /nfs/dbraw/zinc/23/69/52/497236952.db2.gz VRMCHCXFJAQNSI-UGKGYDQZSA-N 2 1 365.521 3.275 20 0 FGADMP C[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237464714 497240991 /nfs/dbraw/zinc/24/09/91/497240991.db2.gz RLGVHIYXIWBGPU-DZFGPLHGSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H](C)C2)on1 ZINC000249770425 497245792 /nfs/dbraw/zinc/24/57/92/497245792.db2.gz SEBWQSNUUMNIQD-NVXWUHKLSA-N 2 1 370.497 3.332 20 0 FGADMP Cc1cc(NC(=O)[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H](C)C2)on1 ZINC000249770425 497245795 /nfs/dbraw/zinc/24/57/95/497245795.db2.gz SEBWQSNUUMNIQD-NVXWUHKLSA-N 2 1 370.497 3.332 20 0 FGADMP C[C@H](CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237505841 497248018 /nfs/dbraw/zinc/24/80/18/497248018.db2.gz ISZUQKCLBIHTRT-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000278889574 497256787 /nfs/dbraw/zinc/25/67/87/497256787.db2.gz HSXTUWHXBRQPLY-SXLOBPIMSA-N 2 1 357.498 3.256 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000278889574 497256791 /nfs/dbraw/zinc/25/67/91/497256791.db2.gz HSXTUWHXBRQPLY-SXLOBPIMSA-N 2 1 357.498 3.256 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000250220921 497263828 /nfs/dbraw/zinc/26/38/28/497263828.db2.gz SMIQQLCUZBINGF-OFQRWUPVSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000250220921 497263830 /nfs/dbraw/zinc/26/38/30/497263830.db2.gz SMIQQLCUZBINGF-OFQRWUPVSA-N 2 1 351.288 3.489 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2)C[C@H](C)O1 ZINC000237627643 497265517 /nfs/dbraw/zinc/26/55/17/497265517.db2.gz JEOWGGFKDVUYLL-HDICACEKSA-N 2 1 373.541 3.077 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2)C[C@H](C)O1 ZINC000237627643 497265520 /nfs/dbraw/zinc/26/55/20/497265520.db2.gz JEOWGGFKDVUYLL-HDICACEKSA-N 2 1 373.541 3.077 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000237679586 497274992 /nfs/dbraw/zinc/27/49/92/497274992.db2.gz RLBMOKUKTLQYHW-BGYRXZFFSA-N 2 1 371.569 3.182 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189890622 497282445 /nfs/dbraw/zinc/28/24/45/497282445.db2.gz VZBRLQUNWSJTKA-INIZCTEOSA-N 2 1 357.502 3.225 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000271197406 497287406 /nfs/dbraw/zinc/28/74/06/497287406.db2.gz AWYGURVHSNLWHR-LSDHHAIUSA-N 2 1 373.501 3.357 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480327 497301927 /nfs/dbraw/zinc/30/19/27/497301927.db2.gz AGWAWJFMOIBQAP-ZWKOTPCHSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480327 497301931 /nfs/dbraw/zinc/30/19/31/497301931.db2.gz AGWAWJFMOIBQAP-ZWKOTPCHSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COCc1ccccc1Cl ZINC000252480327 497301934 /nfs/dbraw/zinc/30/19/34/497301934.db2.gz AGWAWJFMOIBQAP-ZWKOTPCHSA-N 2 1 354.922 3.024 20 0 FGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271476107 497358402 /nfs/dbraw/zinc/35/84/02/497358402.db2.gz IBGAVNRACAJMKI-MORSLUCNSA-N 2 1 352.906 3.377 20 0 FGADMP O=C(NCc1ccc(F)cc1)C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193473399 497389104 /nfs/dbraw/zinc/38/91/04/497389104.db2.gz BKSJRTUASXDOBZ-UHFFFAOYSA-N 2 1 361.505 3.030 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245438401 497406842 /nfs/dbraw/zinc/40/68/42/497406842.db2.gz SCQLRMZBTRYQRB-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190238028 497409065 /nfs/dbraw/zinc/40/90/65/497409065.db2.gz PPMKYOQMAFYSJD-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H](CC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000261575357 497416046 /nfs/dbraw/zinc/41/60/46/497416046.db2.gz BNELUSGHNHJGRL-QCFAMHMHSA-N 2 1 357.542 3.039 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000261835916 497458868 /nfs/dbraw/zinc/45/88/68/497458868.db2.gz OPNIJRJILMOFAW-PXNSSMCTSA-N 2 1 351.494 3.128 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000279553096 497470209 /nfs/dbraw/zinc/47/02/09/497470209.db2.gz XUSQPRBQXQHCJI-UHFFFAOYSA-N 2 1 367.493 3.156 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000279553096 497470213 /nfs/dbraw/zinc/47/02/13/497470213.db2.gz XUSQPRBQXQHCJI-UHFFFAOYSA-N 2 1 367.493 3.156 20 0 FGADMP CC(C)[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)CC1CC[NH2+]CC1 ZINC000261939490 497479968 /nfs/dbraw/zinc/47/99/68/497479968.db2.gz MMDATXDOYPDKGV-UHFFFAOYSA-N 2 1 357.420 3.354 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000578304761 505910478 /nfs/dbraw/zinc/91/04/78/505910478.db2.gz NBWAEYZFGGTUKD-UHFFFAOYSA-N 2 1 352.482 3.106 20 0 FGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1OC ZINC000245692665 497504411 /nfs/dbraw/zinc/50/44/11/497504411.db2.gz AWVRVWNGXKVEGY-RDJZCZTQSA-N 2 1 359.470 3.382 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000262180466 497520042 /nfs/dbraw/zinc/52/00/42/497520042.db2.gz RVJGHGXITILJGS-MOPGFXCFSA-N 2 1 369.534 3.106 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000262180466 497520048 /nfs/dbraw/zinc/52/00/48/497520048.db2.gz RVJGHGXITILJGS-MOPGFXCFSA-N 2 1 369.534 3.106 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2Cl)[C@@H](C)C1 ZINC000276279224 497535085 /nfs/dbraw/zinc/53/50/85/497535085.db2.gz UABAXDJNDMIXRY-JVPBZIDWSA-N 2 1 372.912 3.239 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000272309999 497593418 /nfs/dbraw/zinc/59/34/18/497593418.db2.gz OUABZDUXBKNRPA-WOJBJXKFSA-N 2 1 374.525 3.109 20 0 FGADMP C[C@H](CC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262657727 497593517 /nfs/dbraw/zinc/59/35/17/497593517.db2.gz VGVGVDJNQNAQMX-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000262679165 497598556 /nfs/dbraw/zinc/59/85/56/497598556.db2.gz VGCWZNNXRYWJQB-LQCXBHPOSA-N 2 1 363.505 3.307 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000262683459 497599323 /nfs/dbraw/zinc/59/93/23/497599323.db2.gz WYGAVGLQWMTUSO-SFTDATJTSA-N 2 1 351.494 3.257 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000246100685 497622049 /nfs/dbraw/zinc/62/20/49/497622049.db2.gz POODBLJFBATUBB-GUXCAODWSA-N 2 1 369.513 3.223 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000246100685 497622056 /nfs/dbraw/zinc/62/20/56/497622056.db2.gz POODBLJFBATUBB-GUXCAODWSA-N 2 1 369.513 3.223 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246107614 497624202 /nfs/dbraw/zinc/62/42/02/497624202.db2.gz ZFRZBGXBWPISGO-SIKLNZKXSA-N 3 1 359.558 3.024 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000246107614 497624208 /nfs/dbraw/zinc/62/42/08/497624208.db2.gz ZFRZBGXBWPISGO-SIKLNZKXSA-N 2 1 359.558 3.024 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)cn1 ZINC000276728736 497638032 /nfs/dbraw/zinc/63/80/32/497638032.db2.gz DCLXJCZYRWXAQN-UHFFFAOYSA-N 2 1 370.541 3.294 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000246176637 497648585 /nfs/dbraw/zinc/64/85/85/497648585.db2.gz BSFWCJYVBUQLGW-NRFANRHFSA-N 2 1 357.542 3.006 20 0 FGADMP CCN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000262959806 497666434 /nfs/dbraw/zinc/66/64/34/497666434.db2.gz KOVGWZHAKUJVAP-GHTZIAJQSA-N 2 1 357.542 3.450 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@]12CCCO2 ZINC000272670680 497696620 /nfs/dbraw/zinc/69/66/20/497696620.db2.gz KKTQHGZBKLACHP-VSKRKVRLSA-N 2 1 358.526 3.010 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000246333300 497698839 /nfs/dbraw/zinc/69/88/39/497698839.db2.gz IGICMKPWJFRZLM-VQTJNVASSA-N 2 1 364.578 3.158 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246348222 497703577 /nfs/dbraw/zinc/70/35/77/497703577.db2.gz CUFUFSOMKZAHBM-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246348222 497703580 /nfs/dbraw/zinc/70/35/80/497703580.db2.gz CUFUFSOMKZAHBM-RTWAWAEBSA-N 2 1 372.557 3.071 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000272730827 497714182 /nfs/dbraw/zinc/71/41/82/497714182.db2.gz INJUFDADSDQUPT-GHTZIAJQSA-N 2 1 352.478 3.039 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272730713 497714307 /nfs/dbraw/zinc/71/43/07/497714307.db2.gz ILBQXRNQKYHDJP-KNQAVFIVSA-N 2 1 366.505 3.429 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000263173541 497723705 /nfs/dbraw/zinc/72/37/05/497723705.db2.gz GAOHCAHYCPELCV-PBVWOCPUSA-N 2 1 357.542 3.406 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000246416160 497726573 /nfs/dbraw/zinc/72/65/73/497726573.db2.gz LJGIYJYEDGEKTM-OTWHNJEPSA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)C1 ZINC000246416160 497726582 /nfs/dbraw/zinc/72/65/82/497726582.db2.gz LJGIYJYEDGEKTM-OTWHNJEPSA-N 2 1 366.594 3.259 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)C1 ZINC000246416160 497726587 /nfs/dbraw/zinc/72/65/87/497726587.db2.gz LJGIYJYEDGEKTM-OTWHNJEPSA-N 2 1 366.594 3.259 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)[C@@H](C)C1 ZINC000246471072 497745084 /nfs/dbraw/zinc/74/50/84/497745084.db2.gz GUUUYQZJADZOIA-GHTZIAJQSA-N 2 1 357.542 3.148 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000263372518 497770191 /nfs/dbraw/zinc/77/01/91/497770191.db2.gz YXQOGGWEODRCTO-QMMLZNLJSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246578989 497780368 /nfs/dbraw/zinc/78/03/68/497780368.db2.gz TVOQUUCESQAKBT-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246578989 497780371 /nfs/dbraw/zinc/78/03/71/497780371.db2.gz TVOQUUCESQAKBT-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000246578989 497780379 /nfs/dbraw/zinc/78/03/79/497780379.db2.gz TVOQUUCESQAKBT-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[NH+]2C)c1 ZINC000194834055 497785561 /nfs/dbraw/zinc/78/55/61/497785561.db2.gz NAVWTBBQLQBBFP-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000194834055 497785565 /nfs/dbraw/zinc/78/55/65/497785565.db2.gz NAVWTBBQLQBBFP-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000194834055 497785567 /nfs/dbraw/zinc/78/55/67/497785567.db2.gz NAVWTBBQLQBBFP-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000246689112 497800598 /nfs/dbraw/zinc/80/05/98/497800598.db2.gz MVBKEULSXUHSTI-GBESFXJTSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000246689112 497800601 /nfs/dbraw/zinc/80/06/01/497800601.db2.gz MVBKEULSXUHSTI-GBESFXJTSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246689112 497800603 /nfs/dbraw/zinc/80/06/03/497800603.db2.gz MVBKEULSXUHSTI-GBESFXJTSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000246689112 497800606 /nfs/dbraw/zinc/80/06/06/497800606.db2.gz MVBKEULSXUHSTI-GBESFXJTSA-N 2 1 367.459 3.496 20 0 FGADMP C[C@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000246701679 497801472 /nfs/dbraw/zinc/80/14/72/497801472.db2.gz CADYKBSDCDQZGS-KBPBESRZSA-N 2 1 372.340 3.444 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246704610 497801989 /nfs/dbraw/zinc/80/19/89/497801989.db2.gz RRHSYSAYOPYLRA-RTWAWAEBSA-N 2 1 355.526 3.128 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246730837 497805643 /nfs/dbraw/zinc/80/56/43/497805643.db2.gz ORTOAKDGNMCEEP-WBVHZDCISA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246730837 497805646 /nfs/dbraw/zinc/80/56/46/497805646.db2.gz ORTOAKDGNMCEEP-WBVHZDCISA-N 2 1 358.448 3.273 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000246770408 497809639 /nfs/dbraw/zinc/80/96/39/497809639.db2.gz PWNALFWVWHMDSN-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000246770408 497809640 /nfs/dbraw/zinc/80/96/40/497809640.db2.gz PWNALFWVWHMDSN-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(SC)cc1OC ZINC000246770408 497809642 /nfs/dbraw/zinc/80/96/42/497809642.db2.gz PWNALFWVWHMDSN-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(SC)cc1OC ZINC000246770408 497809644 /nfs/dbraw/zinc/80/96/44/497809644.db2.gz PWNALFWVWHMDSN-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CCCO2 ZINC000246836984 497815083 /nfs/dbraw/zinc/81/50/83/497815083.db2.gz ARXQLAJSRRDHOK-QKLQHJQFSA-N 2 1 362.514 3.388 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246888278 497818837 /nfs/dbraw/zinc/81/88/37/497818837.db2.gz QUXIOYOCXJCRMT-WMQCIHAUSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246888278 497818838 /nfs/dbraw/zinc/81/88/38/497818838.db2.gz QUXIOYOCXJCRMT-WMQCIHAUSA-N 2 1 357.542 3.232 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000246888278 497818839 /nfs/dbraw/zinc/81/88/39/497818839.db2.gz QUXIOYOCXJCRMT-WMQCIHAUSA-N 2 1 357.542 3.232 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292093300 497875249 /nfs/dbraw/zinc/87/52/49/497875249.db2.gz HBWHEJJCDSPBOR-CXAGYDPISA-N 2 1 355.404 3.060 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3c3cccnc3)CC2)cc1 ZINC000284772133 497894640 /nfs/dbraw/zinc/89/46/40/497894640.db2.gz ZJGUCQFJSODTLM-FCHUYYIVSA-N 2 1 351.494 3.208 20 0 FGADMP Cc1cc(C(C)(C)NC[C@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575221430 505944962 /nfs/dbraw/zinc/94/49/62/505944962.db2.gz UJWNCUKEYWQOAJ-HNNXBMFYSA-N 2 1 355.320 3.037 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@H](O)CN(C)C2CC2)ccc1Br ZINC000575221430 505944968 /nfs/dbraw/zinc/94/49/68/505944968.db2.gz UJWNCUKEYWQOAJ-HNNXBMFYSA-N 2 1 355.320 3.037 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)ccc1Br ZINC000575221430 505944973 /nfs/dbraw/zinc/94/49/73/505944973.db2.gz UJWNCUKEYWQOAJ-HNNXBMFYSA-N 2 1 355.320 3.037 20 0 FGADMP Cc1cc(C(C)(C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575221430 505944976 /nfs/dbraw/zinc/94/49/76/505944976.db2.gz UJWNCUKEYWQOAJ-HNNXBMFYSA-N 2 1 355.320 3.037 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000292182955 497912837 /nfs/dbraw/zinc/91/28/37/497912837.db2.gz OQHONDCBOFCBKM-YYWHXJBOSA-N 2 1 364.505 3.120 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC[C@@H](C)OCc3ccccc3)C2)CC1 ZINC000572356132 505948460 /nfs/dbraw/zinc/94/84/60/505948460.db2.gz KZTZWXXIEPBUDO-IRLDBZIGSA-N 2 1 359.558 3.082 20 0 FGADMP [NH2+]=C(NC[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)Nc1ccc2c(c1)CCC2 ZINC000364384727 497932727 /nfs/dbraw/zinc/93/27/27/497932727.db2.gz NDHPGFOKXLJQBK-SFHVURJKSA-N 2 1 363.509 3.419 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C2CC2)CC1 ZINC000292275485 497949794 /nfs/dbraw/zinc/94/97/94/497949794.db2.gz QKTLELRLBIMBIF-HXUWFJFHSA-N 2 1 369.553 3.279 20 0 FGADMP C[NH+](C)CCOc1ccccc1-c1noc([C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000288945253 497954878 /nfs/dbraw/zinc/95/48/78/497954878.db2.gz GBJLXNUDHYMJSY-LJQANCHMSA-N 2 1 366.465 3.328 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000581299454 505955401 /nfs/dbraw/zinc/95/54/01/505955401.db2.gz QPMPSAGUDVNGQX-KRWDZBQOSA-N 2 1 358.530 3.002 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000578499625 505955507 /nfs/dbraw/zinc/95/55/07/505955507.db2.gz UOHRBKGFNSARJU-KRWDZBQOSA-N 2 1 355.404 3.184 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCCC1CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000578533315 505961744 /nfs/dbraw/zinc/96/17/44/505961744.db2.gz CRKWATIEUHJZGL-HXUWFJFHSA-N 2 1 374.573 3.444 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000296355465 498010210 /nfs/dbraw/zinc/01/02/10/498010210.db2.gz JFPWPXUNRIQKGH-NRFANRHFSA-N 2 1 357.542 3.015 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C2)C1 ZINC000292584322 498069294 /nfs/dbraw/zinc/06/92/94/498069294.db2.gz JYJOUFHEMGVFGF-QFIPXVFZSA-N 2 1 370.541 3.275 20 0 FGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000289326303 498106899 /nfs/dbraw/zinc/10/68/99/498106899.db2.gz VDJAFPAQDIAIKS-GOSISDBHSA-N 2 1 370.472 3.487 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000581402589 505979817 /nfs/dbraw/zinc/97/98/17/505979817.db2.gz STLLFUHZWYBZKK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000581402589 505979819 /nfs/dbraw/zinc/97/98/19/505979819.db2.gz STLLFUHZWYBZKK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000581402589 505979821 /nfs/dbraw/zinc/97/98/21/505979821.db2.gz STLLFUHZWYBZKK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP O=C1O[C@@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562913 498130526 /nfs/dbraw/zinc/13/05/26/498130526.db2.gz NGVDMVJPGYPIRD-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562913 498130533 /nfs/dbraw/zinc/13/05/33/498130533.db2.gz NGVDMVJPGYPIRD-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562913 498130520 /nfs/dbraw/zinc/13/05/20/498130520.db2.gz NGVDMVJPGYPIRD-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562913 498130538 /nfs/dbraw/zinc/13/05/38/498130538.db2.gz NGVDMVJPGYPIRD-TZIWHRDSSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000364767386 498134280 /nfs/dbraw/zinc/13/42/80/498134280.db2.gz BOSMWSVQTVGLSK-DUXKGJEZSA-N 2 1 370.541 3.138 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000569686283 505993949 /nfs/dbraw/zinc/99/39/49/505993949.db2.gz JNERRXKQMJFYOE-HIFRSBDPSA-N 2 1 361.313 3.055 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000289475080 498161003 /nfs/dbraw/zinc/16/10/03/498161003.db2.gz HQBUQRDXDKXRIZ-HXUWFJFHSA-N 2 1 366.509 3.056 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000581486994 505999861 /nfs/dbraw/zinc/99/98/61/505999861.db2.gz NLSHIPYFSPCCSZ-NQIIRXRSSA-N 2 1 351.494 3.118 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000581486994 505999864 /nfs/dbraw/zinc/99/98/64/505999864.db2.gz NLSHIPYFSPCCSZ-NQIIRXRSSA-N 2 1 351.494 3.118 20 0 FGADMP CC[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000569748520 506007129 /nfs/dbraw/zinc/00/71/29/506007129.db2.gz UXLRBUCTCXDJKX-NRFANRHFSA-N 2 1 357.542 3.420 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790454 498308733 /nfs/dbraw/zinc/30/87/33/498308733.db2.gz GZVORPGPMSSBFW-CEMLEFRQSA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790454 498308736 /nfs/dbraw/zinc/30/87/36/498308736.db2.gz GZVORPGPMSSBFW-CEMLEFRQSA-N 2 1 359.477 3.002 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(-n4cncn4)cc3)C[C@H]2[C@H]1c1ccccc1 ZINC000360790454 498308743 /nfs/dbraw/zinc/30/87/43/498308743.db2.gz GZVORPGPMSSBFW-CEMLEFRQSA-N 2 1 359.477 3.002 20 0 FGADMP CC1(C)CCC[NH2+][C@H]1CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000569809354 506021454 /nfs/dbraw/zinc/02/14/54/506021454.db2.gz GMIYJZYGFNWXCM-HKUYNNGSSA-N 2 1 372.557 3.388 20 0 FGADMP C=Cc1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000365262320 498379403 /nfs/dbraw/zinc/37/94/03/498379403.db2.gz AGEUUOHPYXCTRJ-UHFFFAOYSA-N 2 1 355.526 3.256 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685283 498418452 /nfs/dbraw/zinc/41/84/52/498418452.db2.gz MTONHLAJGSTDEZ-MJGOQNOKSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@H](C(=O)NCc1cccs1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199397 498420023 /nfs/dbraw/zinc/42/00/23/498420023.db2.gz XAHDUBIZMKDZHK-HZPDHXFCSA-N 2 1 372.538 3.165 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3cscc3C(F)(F)F)CC2)CC1 ZINC000575913796 506032014 /nfs/dbraw/zinc/03/20/14/506032014.db2.gz LGBDJPPQUNNYTH-UHFFFAOYSA-N 2 1 361.477 3.226 20 0 FGADMP COCC[NH+]1CCC([NH2+]C/C(C)=C/c2ccccc2OC(F)F)CC1 ZINC000290097008 498427556 /nfs/dbraw/zinc/42/75/56/498427556.db2.gz ZXWALEKBXADMAV-FYWRMAATSA-N 2 1 354.441 3.392 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2scnc2C2CC2)c2cccs2)CC1 ZINC000575928777 506034681 /nfs/dbraw/zinc/03/46/81/506034681.db2.gz BOAHZMVJYWKSMK-OAHLLOKOSA-N 2 1 362.568 3.160 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cccc(C)c3)CC2)CC1 ZINC000575932122 506035857 /nfs/dbraw/zinc/03/58/57/506035857.db2.gz BQCYGBAYPWTXPH-UHFFFAOYSA-N 2 1 357.542 3.150 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000290261260 498486833 /nfs/dbraw/zinc/48/68/33/498486833.db2.gz KQWSIQBUGWNOHX-GOSISDBHSA-N 2 1 361.436 3.467 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccccc1C[NH+](C)C ZINC000365485970 498493049 /nfs/dbraw/zinc/49/30/49/498493049.db2.gz OUKXBEBMJCINDU-FQEVSTJZSA-N 2 1 365.521 3.342 20 0 FGADMP Cc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)sc1Br ZINC000572764205 506046488 /nfs/dbraw/zinc/04/64/88/506046488.db2.gz LPVUOMKLYJXXCC-UHFFFAOYSA-N 2 1 362.381 3.134 20 0 FGADMP COCCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448319 498517240 /nfs/dbraw/zinc/51/72/40/498517240.db2.gz UYFDDVOELLLRFR-XLIONFOSSA-N 2 1 352.494 3.384 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1=O ZINC000293919183 498532794 /nfs/dbraw/zinc/53/27/94/498532794.db2.gz XTHAIOWIDPMOPP-GJJHYRHESA-N 2 1 370.472 3.267 20 0 FGADMP C[C@@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC[N@H+](C2CCC2)C1 ZINC000569935820 506052084 /nfs/dbraw/zinc/05/20/84/506052084.db2.gz LOEZMEDWOVZBNZ-KRWDZBQOSA-N 2 1 364.493 3.194 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000578923044 506052668 /nfs/dbraw/zinc/05/26/68/506052668.db2.gz GNZRXKRBKNAYDY-IRXDYDNUSA-N 2 1 359.514 3.160 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000578923044 506052671 /nfs/dbraw/zinc/05/26/71/506052671.db2.gz GNZRXKRBKNAYDY-IRXDYDNUSA-N 2 1 359.514 3.160 20 0 FGADMP CC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000302768016 498565320 /nfs/dbraw/zinc/56/53/20/498565320.db2.gz MEFNYJMOSVOWSE-UHFFFAOYSA-N 3 1 374.577 3.392 20 0 FGADMP C[NH+](C)CCOc1ccc(-c2noc([C@H](c3ccccc3)[NH+](C)C)n2)cc1 ZINC000578916377 506051392 /nfs/dbraw/zinc/05/13/92/506051392.db2.gz QOFADWQWUBRBAE-IBGZPJMESA-N 2 1 366.465 3.328 20 0 FGADMP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000302971096 498635078 /nfs/dbraw/zinc/63/50/78/498635078.db2.gz OAHKOSIAYPIHPN-FQEVSTJZSA-N 2 1 374.573 3.113 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000581809677 506067582 /nfs/dbraw/zinc/06/75/82/506067582.db2.gz PUNPGPMSHAOHLL-QKLQHJQFSA-N 2 1 368.949 3.346 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000572857718 506069500 /nfs/dbraw/zinc/06/95/00/506069500.db2.gz ROTQSHMIRFKFOI-UYAOXDASSA-N 2 1 360.546 3.069 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CCC(=O)Nc3ccccc3)CC2)nc(C)[nH+]1 ZINC000363134477 498667415 /nfs/dbraw/zinc/66/74/15/498667415.db2.gz HPYOUZYUAGPYDA-UHFFFAOYSA-N 2 1 367.497 3.023 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CCC(=O)Nc3ccccc3)CC2)nc(C)[nH+]1 ZINC000363134477 498667424 /nfs/dbraw/zinc/66/74/24/498667424.db2.gz HPYOUZYUAGPYDA-UHFFFAOYSA-N 2 1 367.497 3.023 20 0 FGADMP COc1ccc([C@H]2[C@@H](CNC(=[NH2+])Nc3ccccn3)CCC[N@H+]2C)cc1 ZINC000363136487 498669258 /nfs/dbraw/zinc/66/92/58/498669258.db2.gz JDNDAWOBSLEOJH-APWZRJJASA-N 2 1 353.470 3.110 20 0 FGADMP C[C@@H]1CCC[C@@H](C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365911700 498696371 /nfs/dbraw/zinc/69/63/71/498696371.db2.gz LEZRCXFBKBDFCF-UYAOXDASSA-N 2 1 363.590 3.467 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3ccncc3)c2)c1 ZINC000294639265 498757782 /nfs/dbraw/zinc/75/77/82/498757782.db2.gz OVMGVIDDDIHIQF-UHFFFAOYSA-N 2 1 363.465 3.038 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000294639265 498757787 /nfs/dbraw/zinc/75/77/87/498757787.db2.gz OVMGVIDDDIHIQF-UHFFFAOYSA-N 2 1 363.465 3.038 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000294639265 498757796 /nfs/dbraw/zinc/75/77/96/498757796.db2.gz OVMGVIDDDIHIQF-UHFFFAOYSA-N 2 1 363.465 3.038 20 0 FGADMP C[N@@H+](CCC[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21)C1CCCCC1 ZINC000570102816 506091284 /nfs/dbraw/zinc/09/12/84/506091284.db2.gz ZRVZMPGEJDCSLZ-GOSISDBHSA-N 2 1 359.514 3.152 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000332820515 498803695 /nfs/dbraw/zinc/80/36/95/498803695.db2.gz KLUIQNPSFQZZPV-LPHOPBHVSA-N 2 1 372.557 3.258 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366167405 498805516 /nfs/dbraw/zinc/80/55/16/498805516.db2.gz DYQDKTDPHQXIQI-QHCPKHFHSA-N 2 1 365.521 3.390 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000332829018 498806619 /nfs/dbraw/zinc/80/66/19/498806619.db2.gz OFQSWWXXZYTHAJ-RDJZCZTQSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+](C)C1CC1 ZINC000332829018 498806622 /nfs/dbraw/zinc/80/66/22/498806622.db2.gz OFQSWWXXZYTHAJ-RDJZCZTQSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@H+](C)C1CC1 ZINC000332829017 498806959 /nfs/dbraw/zinc/80/69/59/498806959.db2.gz OFQSWWXXZYTHAJ-DOTOQJQBSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[N@@H+](C)C1CC1 ZINC000332829017 498806964 /nfs/dbraw/zinc/80/69/64/498806964.db2.gz OFQSWWXXZYTHAJ-DOTOQJQBSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000283196872 498813699 /nfs/dbraw/zinc/81/36/99/498813699.db2.gz RCBNUKUCEYLADM-ZJOUEHCJSA-N 2 1 369.553 3.391 20 0 FGADMP C[NH+](C)C1(CNC2CC[NH+](CCC(F)(F)F)CC2)Cc2ccccc2C1 ZINC000291155971 498820038 /nfs/dbraw/zinc/82/00/38/498820038.db2.gz LNFFQVBMINBMCE-UHFFFAOYSA-N 2 1 369.475 3.092 20 0 FGADMP OC1(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000287692508 498838969 /nfs/dbraw/zinc/83/89/69/498838969.db2.gz WTLMVABSGNTKKF-BHIFYINESA-N 2 1 372.553 3.198 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000573018065 506099657 /nfs/dbraw/zinc/09/96/57/506099657.db2.gz YMNXPCGUNDXZIL-UHFFFAOYSA-N 2 1 361.555 3.214 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963265 506100962 /nfs/dbraw/zinc/10/09/62/506100962.db2.gz SWKCLSYDQYAOQP-MISYRCLQSA-N 2 1 352.478 3.469 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)[C@@H]1C ZINC000366290724 498860102 /nfs/dbraw/zinc/86/01/02/498860102.db2.gz YZZQXNXFAFEPCS-XZLOLGPPSA-N 2 1 350.528 3.308 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)[C@@H]1C ZINC000366290724 498860112 /nfs/dbraw/zinc/86/01/12/498860112.db2.gz YZZQXNXFAFEPCS-XZLOLGPPSA-N 2 1 350.528 3.308 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000283366960 498863629 /nfs/dbraw/zinc/86/36/29/498863629.db2.gz NQXLNLYQHDBEGZ-FVTFTPSCSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000283366960 498863639 /nfs/dbraw/zinc/86/36/39/498863639.db2.gz NQXLNLYQHDBEGZ-FVTFTPSCSA-N 2 1 372.553 3.197 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000363562132 498879085 /nfs/dbraw/zinc/87/90/85/498879085.db2.gz IZZNQRQGIMFVDT-OALUTQOASA-N 2 1 373.566 3.357 20 0 FGADMP O=C(C[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997634 506095817 /nfs/dbraw/zinc/09/58/17/506095817.db2.gz FXTQUDCSFYIASX-LJQANCHMSA-N 2 1 361.505 3.030 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000333162297 498920093 /nfs/dbraw/zinc/92/00/93/498920093.db2.gz GQGGVHTYCHFYMM-FWZVCBSNSA-N 2 1 370.541 3.093 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000366580848 498988260 /nfs/dbraw/zinc/98/82/60/498988260.db2.gz LWWQKTIFZHYJRE-FUHWJXTLSA-N 2 1 359.518 3.157 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000576296633 506123905 /nfs/dbraw/zinc/12/39/05/506123905.db2.gz ZCDYWBMADNDOLI-AQNXPRMDSA-N 2 1 359.558 3.369 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000284234916 499074084 /nfs/dbraw/zinc/07/40/84/499074084.db2.gz DQYQHXAFPKVKBO-LJQANCHMSA-N 2 1 352.526 3.428 20 0 FGADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000284234916 499074089 /nfs/dbraw/zinc/07/40/89/499074089.db2.gz DQYQHXAFPKVKBO-LJQANCHMSA-N 2 1 352.526 3.428 20 0 FGADMP COc1ccc(-c2noc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)n2)cc1 ZINC000366878500 499104180 /nfs/dbraw/zinc/10/41/80/499104180.db2.gz FLJHXHKYBZLTBK-UHFFFAOYSA-N 2 1 356.470 3.053 20 0 FGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576337835 506134449 /nfs/dbraw/zinc/13/44/49/506134449.db2.gz UUBUHLQVJUHULF-JTHBVZDNSA-N 2 1 366.505 3.299 20 0 FGADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576337835 506134452 /nfs/dbraw/zinc/13/44/52/506134452.db2.gz UUBUHLQVJUHULF-JTHBVZDNSA-N 2 1 366.505 3.299 20 0 FGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367171965 499157249 /nfs/dbraw/zinc/15/72/49/499157249.db2.gz UOWHQLPWYQBMBI-OALUTQOASA-N 2 1 368.525 3.362 20 0 FGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367171965 499157251 /nfs/dbraw/zinc/15/72/51/499157251.db2.gz UOWHQLPWYQBMBI-OALUTQOASA-N 2 1 368.525 3.362 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)CC(F)(F)F)CC2)nc(C(C)C)n1 ZINC000372750566 499170054 /nfs/dbraw/zinc/17/00/54/499170054.db2.gz NIBKJOJKOCROOJ-OAHLLOKOSA-N 2 1 374.451 3.122 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@H](C)O1 ZINC000367438997 499199093 /nfs/dbraw/zinc/19/90/93/499199093.db2.gz QURGRWXBCGSRTI-CALCHBBNSA-N 2 1 360.546 3.095 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cnc(C(C)(C)C)nc3)CC2)C[C@H](C)O1 ZINC000367438997 499199094 /nfs/dbraw/zinc/19/90/94/499199094.db2.gz QURGRWXBCGSRTI-CALCHBBNSA-N 2 1 360.546 3.095 20 0 FGADMP CC[C@@H](C)CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367593878 499215812 /nfs/dbraw/zinc/21/58/12/499215812.db2.gz IPVKZYHPKIDGQT-GOSISDBHSA-N 2 1 351.579 3.467 20 0 FGADMP Cc1csc(CCCC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)n1 ZINC000370644982 499239168 /nfs/dbraw/zinc/23/91/68/499239168.db2.gz SIAYXMMJLSERJA-CGTJXYLNSA-N 2 1 351.560 3.253 20 0 FGADMP c1cc(C[NH+]2CCC[C@@]23CCOC3)cc(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000370725305 499248388 /nfs/dbraw/zinc/24/83/88/499248388.db2.gz QWNGBUOCRCMENZ-VXKWHMMOSA-N 2 1 356.510 3.196 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000368042456 499258906 /nfs/dbraw/zinc/25/89/06/499258906.db2.gz LKMMFMPRAVQFCS-ZHALLVOQSA-N 2 1 366.509 3.033 20 0 FGADMP CC(C)C[C@@H](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371083291 499287057 /nfs/dbraw/zinc/28/70/57/499287057.db2.gz AXCYUIUOPRHMRQ-GOSISDBHSA-N 2 1 351.579 3.371 20 0 FGADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccc(Cl)cc1 ZINC000368480901 499300466 /nfs/dbraw/zinc/30/04/66/499300466.db2.gz CRQJTDWZULFYFJ-FCGDIQPGSA-N 2 1 352.906 3.211 20 0 FGADMP C[C@@]1(CN[C@@H](c2ncc[nH]2)c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368529488 499304928 /nfs/dbraw/zinc/30/49/28/499304928.db2.gz BTTBGNQKMZTVAZ-IRLDBZIGSA-N 2 1 361.493 3.396 20 0 FGADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000371296212 499306950 /nfs/dbraw/zinc/30/69/50/499306950.db2.gz XRTDATUJWXJMJZ-WSTZPKSXSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1OCC ZINC000371296212 499306951 /nfs/dbraw/zinc/30/69/51/499306951.db2.gz XRTDATUJWXJMJZ-WSTZPKSXSA-N 2 1 362.514 3.168 20 0 FGADMP CCC[C@H](NC(=O)[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000371489966 499333418 /nfs/dbraw/zinc/33/34/18/499333418.db2.gz BMCCYFGVZQVMLH-QRQLOZEOSA-N 2 1 354.498 3.142 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(-c2cccnc2)n1 ZINC000371722117 499358769 /nfs/dbraw/zinc/35/87/69/499358769.db2.gz CSOQWAJVXJQZFL-DENIHFKCSA-N 2 1 361.493 3.265 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314658 499390698 /nfs/dbraw/zinc/39/06/98/499390698.db2.gz CVAWZGKUGSNMGK-UHOSZYNNSA-N 2 1 358.530 3.042 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372112760 499400313 /nfs/dbraw/zinc/40/03/13/499400313.db2.gz JUNLQOGBKFLROT-AQEOSJORSA-N 2 1 361.496 3.313 20 0 FGADMP CCn1c(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)nc2cc(F)ccc21 ZINC000372352931 499423951 /nfs/dbraw/zinc/42/39/51/499423951.db2.gz ASEGJHZGIJPJIY-BPQIPLTHSA-N 2 1 374.504 3.174 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353677 499424132 /nfs/dbraw/zinc/42/41/32/499424132.db2.gz HFBNXDKDFZXFKK-MNEFBYGVSA-N 2 1 373.472 3.460 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cnc4cccc(C)n34)CC2)nc(C)[nH+]1 ZINC000372410711 499431496 /nfs/dbraw/zinc/43/14/96/499431496.db2.gz VVDIGAVJIDDSEK-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cnc4cccc(C)n34)CC2)nc(C)[nH+]1 ZINC000372410711 499431497 /nfs/dbraw/zinc/43/14/97/499431497.db2.gz VVDIGAVJIDDSEK-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000372436581 499434371 /nfs/dbraw/zinc/43/43/71/499434371.db2.gz UIXSZKNVXBKOAS-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373306500 499462624 /nfs/dbraw/zinc/46/26/24/499462624.db2.gz WRILCUNUEPWYIL-YOEHRIQHSA-N 2 1 362.568 3.456 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)[C@H]1c1cccs1 ZINC000373306500 499462625 /nfs/dbraw/zinc/46/26/25/499462625.db2.gz WRILCUNUEPWYIL-YOEHRIQHSA-N 2 1 362.568 3.456 20 0 FGADMP Cc1c(-c2cc(C[NH+]3CCC4(C[C@H]4C[N@@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352568 499465009 /nfs/dbraw/zinc/46/50/09/499465009.db2.gz FRIRRTSNRVZFTL-INIZCTEOSA-N 2 1 369.513 3.080 20 0 FGADMP C[C@@H]1C[N@@H+](CCCSCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373527791 499475210 /nfs/dbraw/zinc/47/52/10/499475210.db2.gz FIQIYEZNUOOXBY-LJQANCHMSA-N 2 1 361.599 3.410 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000378201310 499489855 /nfs/dbraw/zinc/48/98/55/499489855.db2.gz NMGXDTJEBAAMRC-SJLPKXTDSA-N 2 1 352.567 3.011 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C3CCC(F)(F)CC3)CC2)CC1 ZINC000378294601 499498827 /nfs/dbraw/zinc/49/88/27/499498827.db2.gz UVGBDHWLBGANAV-UHFFFAOYSA-N 2 1 371.516 3.124 20 0 FGADMP CC(C)N1CC[NH+](CCCN2CC[C@](F)(c3cc(F)cc(F)c3)C2)CC1 ZINC000375284770 499502935 /nfs/dbraw/zinc/50/29/35/499502935.db2.gz TYPTZRXMZXZORP-HXUWFJFHSA-N 2 1 369.475 3.251 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378339145 499503702 /nfs/dbraw/zinc/50/37/02/499503702.db2.gz DQRFIGRWRKBDJP-UGKGYDQZSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378339145 499503704 /nfs/dbraw/zinc/50/37/04/499503704.db2.gz DQRFIGRWRKBDJP-UGKGYDQZSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(=O)Nc1cccnc1Cl ZINC000375381835 499512271 /nfs/dbraw/zinc/51/22/71/499512271.db2.gz UGEHIYNASLVPPE-DOTOQJQBSA-N 2 1 372.900 3.174 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000378494611 499524082 /nfs/dbraw/zinc/52/40/82/499524082.db2.gz KTSOKIZMTIYZTP-OSTWSGHESA-N 2 1 352.563 3.449 20 0 FGADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000378494611 499524084 /nfs/dbraw/zinc/52/40/84/499524084.db2.gz KTSOKIZMTIYZTP-OSTWSGHESA-N 2 1 352.563 3.449 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000378581464 499534153 /nfs/dbraw/zinc/53/41/53/499534153.db2.gz VGWYPROMYIUNMG-AEFFLSMTSA-N 2 1 359.518 3.003 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000378581464 499534155 /nfs/dbraw/zinc/53/41/55/499534155.db2.gz VGWYPROMYIUNMG-AEFFLSMTSA-N 2 1 359.518 3.003 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654149 499542822 /nfs/dbraw/zinc/54/28/22/499542822.db2.gz HMMJQFSPWWUINM-YZGWKJHDSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654149 499542824 /nfs/dbraw/zinc/54/28/24/499542824.db2.gz HMMJQFSPWWUINM-YZGWKJHDSA-N 2 1 372.484 3.208 20 0 FGADMP Ic1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000381110400 499544650 /nfs/dbraw/zinc/54/46/50/499544650.db2.gz UHCRLWVHVLZTAX-UHFFFAOYSA-N 2 1 356.251 3.008 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880492 499564296 /nfs/dbraw/zinc/56/42/96/499564296.db2.gz MYFUACFNRBYZHU-MJGOQNOKSA-N 2 1 358.530 3.091 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000375880492 499564297 /nfs/dbraw/zinc/56/42/97/499564297.db2.gz MYFUACFNRBYZHU-MJGOQNOKSA-N 2 1 358.530 3.091 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880491 499564306 /nfs/dbraw/zinc/56/43/06/499564306.db2.gz MYFUACFNRBYZHU-IEBWSBKVSA-N 2 1 358.530 3.091 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000375880491 499564307 /nfs/dbraw/zinc/56/43/07/499564307.db2.gz MYFUACFNRBYZHU-IEBWSBKVSA-N 2 1 358.530 3.091 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@@H]2CCC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404307301 499570166 /nfs/dbraw/zinc/57/01/66/499570166.db2.gz CPOSYZNUBBZDAI-WCIQWLHISA-N 2 1 357.542 3.276 20 0 FGADMP c1ccc(C[NH+]2CCC(NC[C@H]3CCC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000376003917 499575458 /nfs/dbraw/zinc/57/54/58/499575458.db2.gz PMNZDMGQXUSZPH-JOCHJYFZSA-N 2 1 356.558 3.433 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@H]1c1ccccc1 ZINC000376161032 499587390 /nfs/dbraw/zinc/58/73/90/499587390.db2.gz GDOONDMIUUDJIM-SJLPKXTDSA-N 2 1 355.448 3.296 20 0 FGADMP O[C@H](Cc1ccccc1)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000409446137 499596622 /nfs/dbraw/zinc/59/66/22/499596622.db2.gz NKIRJJURZDKTIV-XPWALMASSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000409446137 499596623 /nfs/dbraw/zinc/59/66/23/499596623.db2.gz NKIRJJURZDKTIV-XPWALMASSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000409446137 499596624 /nfs/dbraw/zinc/59/66/24/499596624.db2.gz NKIRJJURZDKTIV-XPWALMASSA-N 2 1 350.506 3.044 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000376584144 499620674 /nfs/dbraw/zinc/62/06/74/499620674.db2.gz LXIFLVRLEFVCQB-YCMWJMFESA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000376584144 499620675 /nfs/dbraw/zinc/62/06/75/499620675.db2.gz LXIFLVRLEFVCQB-YCMWJMFESA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000376584144 499620676 /nfs/dbraw/zinc/62/06/76/499620676.db2.gz LXIFLVRLEFVCQB-YCMWJMFESA-N 2 1 364.578 3.011 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000570382870 506155302 /nfs/dbraw/zinc/15/53/02/506155302.db2.gz NNYVJPZGWGLWQU-GBESFXJTSA-N 2 1 372.900 3.084 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000570382870 506155305 /nfs/dbraw/zinc/15/53/05/506155305.db2.gz NNYVJPZGWGLWQU-GBESFXJTSA-N 2 1 372.900 3.084 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000570382871 506155454 /nfs/dbraw/zinc/15/54/54/506155454.db2.gz NNYVJPZGWGLWQU-QYZOEREBSA-N 2 1 372.900 3.084 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000570382871 506155458 /nfs/dbraw/zinc/15/54/58/506155458.db2.gz NNYVJPZGWGLWQU-QYZOEREBSA-N 2 1 372.900 3.084 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281711 499721284 /nfs/dbraw/zinc/72/12/84/499721284.db2.gz AYEXMPPEGOMOLH-ROUUACIJSA-N 2 1 364.555 3.099 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281711 499721286 /nfs/dbraw/zinc/72/12/86/499721286.db2.gz AYEXMPPEGOMOLH-ROUUACIJSA-N 2 1 364.555 3.099 20 0 FGADMP Cc1nnc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)[nH]1 ZINC000411351948 499728440 /nfs/dbraw/zinc/72/84/40/499728440.db2.gz URALKMNNHWIOOE-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411351948 499728442 /nfs/dbraw/zinc/72/84/42/499728442.db2.gz URALKMNNHWIOOE-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n1 ZINC000411351948 499728443 /nfs/dbraw/zinc/72/84/43/499728443.db2.gz URALKMNNHWIOOE-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@H]2CCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000411351948 499728445 /nfs/dbraw/zinc/72/84/45/499728445.db2.gz URALKMNNHWIOOE-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1nc([C@H]2CCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C2)n[nH]1 ZINC000411351948 499728447 /nfs/dbraw/zinc/72/84/47/499728447.db2.gz URALKMNNHWIOOE-FQEVSTJZSA-N 2 1 353.514 3.479 20 0 FGADMP Cc1ccc2ncc(C[N@H+]3CCN(C4CC[NH+](C)CC4)[C@@H](C)C3)cc2c1 ZINC000411435565 499739855 /nfs/dbraw/zinc/73/98/55/499739855.db2.gz ZTNGHOFYTNRBOH-SFHVURJKSA-N 2 1 352.526 3.144 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000377832439 499740404 /nfs/dbraw/zinc/74/04/04/499740404.db2.gz RYMWQKRRMFSOAJ-IBGZPJMESA-N 2 1 370.566 3.410 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1Cl ZINC000411440488 499740651 /nfs/dbraw/zinc/74/06/51/499740651.db2.gz HRKFHERXZACGSW-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1Cl ZINC000411440488 499740652 /nfs/dbraw/zinc/74/06/52/499740652.db2.gz HRKFHERXZACGSW-UHFFFAOYSA-N 2 1 365.905 3.237 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000411447688 499741455 /nfs/dbraw/zinc/74/14/55/499741455.db2.gz QRVKVBWSNBXRIU-HXUWFJFHSA-N 2 1 355.526 3.131 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)N[C@@H]1CCCc3ccccc31)CC2 ZINC000411447688 499741457 /nfs/dbraw/zinc/74/14/57/499741457.db2.gz QRVKVBWSNBXRIU-HXUWFJFHSA-N 2 1 355.526 3.131 20 0 FGADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(Cc2ccncc2)CC1 ZINC000377927869 499748847 /nfs/dbraw/zinc/74/88/47/499748847.db2.gz ZXZVPEWJRNMZDG-UHFFFAOYSA-N 2 1 365.525 3.173 20 0 FGADMP C[C@@H](C(=O)N(C)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411581268 499765646 /nfs/dbraw/zinc/76/56/46/499765646.db2.gz ICAONCUESPJNRU-CUWPLCDZSA-N 2 1 366.509 3.058 20 0 FGADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000411581268 499765647 /nfs/dbraw/zinc/76/56/47/499765647.db2.gz ICAONCUESPJNRU-CUWPLCDZSA-N 2 1 366.509 3.058 20 0 FGADMP C[C@@H](C(=O)N(C)c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000411581268 499765648 /nfs/dbraw/zinc/76/56/48/499765648.db2.gz ICAONCUESPJNRU-CUWPLCDZSA-N 2 1 366.509 3.058 20 0 FGADMP C[C@@](CO)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(O)c1 ZINC000411733163 499784269 /nfs/dbraw/zinc/78/42/69/499784269.db2.gz FPPPVKVNYUZCRF-QFIPXVFZSA-N 2 1 354.494 3.375 20 0 FGADMP C[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000414402589 499787243 /nfs/dbraw/zinc/78/72/43/499787243.db2.gz GFABKDIXPXCYRB-SFHVURJKSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000414402589 499787244 /nfs/dbraw/zinc/78/72/44/499787244.db2.gz GFABKDIXPXCYRB-SFHVURJKSA-N 2 1 366.509 3.486 20 0 FGADMP CCCNC(=O)CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000411763531 499787579 /nfs/dbraw/zinc/78/75/79/499787579.db2.gz YQGXHCMLKMBZGQ-UHFFFAOYSA-N 2 1 357.542 3.281 20 0 FGADMP CC(CC[NH+]1CC[C@]2(C1)CCCOC2)CC[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000411767642 499788455 /nfs/dbraw/zinc/78/84/55/499788455.db2.gz ODXXQWCNWDVVKV-VXKWHMMOSA-N 2 1 364.574 3.408 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@H]2C)CC1 ZINC000412044457 499816521 /nfs/dbraw/zinc/81/65/21/499816521.db2.gz OOTGOHZOLRBEQO-GOSISDBHSA-N 2 1 357.542 3.196 20 0 FGADMP CCCC[N@H+](Cc1ccccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414696189 499821167 /nfs/dbraw/zinc/82/11/67/499821167.db2.gz PRXCXQFTAKBJHN-INIZCTEOSA-N 2 1 351.922 3.139 20 0 FGADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC[NH2+]1 ZINC000414735255 499824776 /nfs/dbraw/zinc/82/47/76/499824776.db2.gz CFWSZVQTZBDMCM-HOTGVXAUSA-N 2 1 364.921 3.268 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738553 499824979 /nfs/dbraw/zinc/82/49/79/499824979.db2.gz PHEVJMGIKZHXQZ-CHWSQXEVSA-N 2 1 358.313 3.184 20 0 FGADMP COCC[N@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414756217 499827270 /nfs/dbraw/zinc/82/72/70/499827270.db2.gz JDAPCLQYZXHBBY-OLZOCXBDSA-N 2 1 361.349 3.347 20 0 FGADMP CN(c1ccccc1CNC[C@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000414832249 499835222 /nfs/dbraw/zinc/83/52/22/499835222.db2.gz OGBMDXLLKSYTTK-NRFANRHFSA-N 2 1 352.526 3.007 20 0 FGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414838324 499836071 /nfs/dbraw/zinc/83/60/71/499836071.db2.gz KHWJWGPMPWGFBG-DOMZBBRYSA-N 2 1 356.308 3.129 20 0 FGADMP Cc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)sc1Br ZINC000414887039 499841560 /nfs/dbraw/zinc/84/15/60/499841560.db2.gz WLBQGFIYTDBFBV-UHFFFAOYSA-N 2 1 354.317 3.484 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070404 499860631 /nfs/dbraw/zinc/86/06/31/499860631.db2.gz UXTLLAMXLZPVRZ-BLLLJJGKSA-N 2 1 368.319 3.273 20 0 FGADMP O=C1CCCN1Cc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415077414 499861300 /nfs/dbraw/zinc/86/13/00/499861300.db2.gz FBGCJYXEGZYWKD-FGZHOGPDSA-N 2 1 363.505 3.392 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CC[NH2+]C[C@H]3c3ccccc3)sc2C1 ZINC000415131933 499868048 /nfs/dbraw/zinc/86/80/48/499868048.db2.gz STOPQKFGXSUTAA-SFHVURJKSA-N 2 1 356.539 3.056 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)ccc3F)CC2)C1 ZINC000415130749 499868074 /nfs/dbraw/zinc/86/80/74/499868074.db2.gz XNQZPODAXBSMMJ-NVXWUHKLSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000415201386 499876450 /nfs/dbraw/zinc/87/64/50/499876450.db2.gz KOXQAMDGNSJJPC-AZUAARDMSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930517 499929735 /nfs/dbraw/zinc/92/97/35/499929735.db2.gz ABVHZNXHHFOCDZ-MSOLQXFVSA-N 2 1 374.529 3.142 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)cc1 ZINC000415931817 499929995 /nfs/dbraw/zinc/92/99/95/499929995.db2.gz CIGAYROTKHRGHA-LJQANCHMSA-N 2 1 374.529 3.190 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000415935566 499930601 /nfs/dbraw/zinc/93/06/01/499930601.db2.gz UEHFIUXZAUWFLC-UHFFFAOYSA-N 2 1 353.470 3.031 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CCc2cccs2)CC1 ZINC000415944216 499931586 /nfs/dbraw/zinc/93/15/86/499931586.db2.gz ODGLZTXLJDSWNX-UHFFFAOYSA-N 2 1 372.538 3.250 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246780 499932208 /nfs/dbraw/zinc/93/22/08/499932208.db2.gz HPRQISUCFVJORH-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246780 499932210 /nfs/dbraw/zinc/93/22/10/499932210.db2.gz HPRQISUCFVJORH-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246780 499932212 /nfs/dbraw/zinc/93/22/12/499932212.db2.gz HPRQISUCFVJORH-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246780 499932214 /nfs/dbraw/zinc/93/22/14/499932214.db2.gz HPRQISUCFVJORH-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@@H]1C ZINC000415964983 499934769 /nfs/dbraw/zinc/93/47/69/499934769.db2.gz YXSXQGJYKOQHPM-RYUDHWBXSA-N 2 1 358.408 3.111 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415977789 499936665 /nfs/dbraw/zinc/93/66/65/499936665.db2.gz YRNRNGCKNNAFER-UWJYYQICSA-N 2 1 366.509 3.438 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979485 499936754 /nfs/dbraw/zinc/93/67/54/499936754.db2.gz QXKOBBAIBJYQPS-FQEVSTJZSA-N 2 1 367.497 3.059 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413284444 499937125 /nfs/dbraw/zinc/93/71/25/499937125.db2.gz BGVRTIIAVIXPBL-IXDOHACOSA-N 2 1 361.555 3.435 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413284444 499937126 /nfs/dbraw/zinc/93/71/26/499937126.db2.gz BGVRTIIAVIXPBL-IXDOHACOSA-N 2 1 361.555 3.435 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000429007388 499980097 /nfs/dbraw/zinc/98/00/97/499980097.db2.gz JSPWXBIIWPYBQS-INIZCTEOSA-N 2 1 370.266 3.197 20 0 FGADMP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000576478221 506168355 /nfs/dbraw/zinc/16/83/55/506168355.db2.gz SSPHKXGNCMHZPT-XMSQKQJNSA-N 2 1 365.521 3.184 20 0 FGADMP COC(=O)[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1c1ccc(Cl)cc1 ZINC000429137843 500010756 /nfs/dbraw/zinc/01/07/56/500010756.db2.gz UIKWKYOXEKYTTK-OKZBNKHCSA-N 2 1 350.890 3.013 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417236578 500013868 /nfs/dbraw/zinc/01/38/68/500013868.db2.gz GDGYHVKFRYAEAZ-QRVBRYPASA-N 2 1 364.578 3.061 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1=O ZINC000421351259 500023307 /nfs/dbraw/zinc/02/33/07/500023307.db2.gz MHQSVBUUBUQEHI-LNRXMEIDSA-N 2 1 369.553 3.135 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1 ZINC000429219230 500025754 /nfs/dbraw/zinc/02/57/54/500025754.db2.gz AUWRRIBCOQKBKM-QFIPXVFZSA-N 2 1 351.494 3.176 20 0 FGADMP COC1([C@@H](C)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000421397012 500036862 /nfs/dbraw/zinc/03/68/62/500036862.db2.gz CMEHKKUYWOLWOB-QGZVFWFLSA-N 2 1 364.505 3.006 20 0 FGADMP CSC[C@@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](CSC)C2)C1 ZINC000429289538 500044212 /nfs/dbraw/zinc/04/42/12/500044212.db2.gz BZSNMAKVYMEYAL-HDICACEKSA-N 2 1 360.633 3.153 20 0 FGADMP CSC[C@@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@H](CSC)C2)C1 ZINC000429289538 500044214 /nfs/dbraw/zinc/04/42/14/500044214.db2.gz BZSNMAKVYMEYAL-HDICACEKSA-N 2 1 360.633 3.153 20 0 FGADMP CSC[C@@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@H](CSC)C2)C1 ZINC000429289538 500044220 /nfs/dbraw/zinc/04/42/20/500044220.db2.gz BZSNMAKVYMEYAL-HDICACEKSA-N 2 1 360.633 3.153 20 0 FGADMP COc1cc2[nH+]ccc(N3CC[N@@H+](C)C[C@H]3C)c2cc1Br ZINC000425231796 500050890 /nfs/dbraw/zinc/05/08/90/500050890.db2.gz SVPZQRSGPJIJOB-LLVKDONJSA-N 2 1 350.260 3.146 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000417408888 500064848 /nfs/dbraw/zinc/06/48/48/500064848.db2.gz UXAGUQMSEHNIEG-UHFFFAOYSA-N 2 1 360.546 3.189 20 0 FGADMP C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429502388 500089088 /nfs/dbraw/zinc/08/90/88/500089088.db2.gz ZPSCPJJCLXHZLC-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP COC(=O)[C@@H](CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414310 500097915 /nfs/dbraw/zinc/09/79/15/500097915.db2.gz FTICISHXRUZRTM-QUCCMNQESA-N 2 1 367.493 3.471 20 0 FGADMP COC(=O)[C@@H](CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)c1ccccc1 ZINC000425414310 500097918 /nfs/dbraw/zinc/09/79/18/500097918.db2.gz FTICISHXRUZRTM-QUCCMNQESA-N 2 1 367.493 3.471 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555240 500100808 /nfs/dbraw/zinc/10/08/08/500100808.db2.gz VVICAZIXGQWXGF-ZIAGYGMSSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000429555240 500100809 /nfs/dbraw/zinc/10/08/09/500100809.db2.gz VVICAZIXGQWXGF-ZIAGYGMSSA-N 2 1 361.313 3.149 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000417585541 500117937 /nfs/dbraw/zinc/11/79/37/500117937.db2.gz PIQXGVYUEBYVOZ-IRXDYDNUSA-N 2 1 360.546 3.406 20 0 FGADMP OCC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696692 500125429 /nfs/dbraw/zinc/12/54/29/500125429.db2.gz HCOSQYNQEFJHSW-FCHUYYIVSA-N 2 1 360.542 3.198 20 0 FGADMP OCC[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1CCCCC1 ZINC000429696692 500125431 /nfs/dbraw/zinc/12/54/31/500125431.db2.gz HCOSQYNQEFJHSW-FCHUYYIVSA-N 2 1 360.542 3.198 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000414064452 500143268 /nfs/dbraw/zinc/14/32/68/500143268.db2.gz FUIMQEISFHIKAY-ZWKOTPCHSA-N 2 1 369.509 3.032 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)cn1 ZINC000414064452 500143269 /nfs/dbraw/zinc/14/32/69/500143269.db2.gz FUIMQEISFHIKAY-ZWKOTPCHSA-N 2 1 369.509 3.032 20 0 FGADMP COc1cc(Cl)ccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000421844926 500163297 /nfs/dbraw/zinc/16/32/97/500163297.db2.gz PCCPXPDLPFYFPH-KKXDTOCCSA-N 2 1 352.906 3.377 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000416967096 500168760 /nfs/dbraw/zinc/16/87/60/500168760.db2.gz GTGNUIZOSHDRSR-RXVVDRJESA-N 2 1 372.557 3.060 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000416967766 500168765 /nfs/dbraw/zinc/16/87/65/500168765.db2.gz HNEKQGQODHDVFC-QGZVFWFLSA-N 2 1 360.546 3.045 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000416968392 500169339 /nfs/dbraw/zinc/16/93/39/500169339.db2.gz IXJMBLXHOPUVJZ-WIYYLYMNSA-N 2 1 374.573 3.433 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000416971579 500170574 /nfs/dbraw/zinc/17/05/74/500170574.db2.gz PVYVMTRAENYAPB-ZWKOTPCHSA-N 2 1 360.546 3.235 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971863 500170634 /nfs/dbraw/zinc/17/06/34/500170634.db2.gz QKTTVEYQPVLOFT-LVCYWYKZSA-N 2 1 372.557 3.187 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]1 ZINC000416974434 500172131 /nfs/dbraw/zinc/17/21/31/500172131.db2.gz LJODBSHUVURITF-UWVAXJGDSA-N 2 1 358.530 3.001 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000416974333 500172225 /nfs/dbraw/zinc/17/22/25/500172225.db2.gz WXYYOCJWDWMPBQ-FQEVSTJZSA-N 2 1 360.546 3.234 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000417791489 500173020 /nfs/dbraw/zinc/17/30/20/500173020.db2.gz AAPYEKKSUZTIJK-IBGZPJMESA-N 2 1 372.557 3.072 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C1 ZINC000416984158 500174923 /nfs/dbraw/zinc/17/49/23/500174923.db2.gz XUABVRNATAUOFR-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000416984157 500175293 /nfs/dbraw/zinc/17/52/93/500175293.db2.gz XUABVRNATAUOFR-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000417811945 500177160 /nfs/dbraw/zinc/17/71/60/500177160.db2.gz KJTJWWKLHBMOFZ-ROUUACIJSA-N 2 1 368.525 3.416 20 0 FGADMP CCCN(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417826349 500179594 /nfs/dbraw/zinc/17/95/94/500179594.db2.gz CECLRQHSPDETAW-QUCCMNQESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2CCC([NH3+])CC2)C1 ZINC000416999267 500180264 /nfs/dbraw/zinc/18/02/64/500180264.db2.gz LZVLDYNYFMANPO-AGXSTUJCSA-N 2 1 372.557 3.234 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417893447 500193714 /nfs/dbraw/zinc/19/37/14/500193714.db2.gz YFFWUONZRWZYSA-UHFFFAOYSA-N 2 1 365.521 3.451 20 0 FGADMP C[C@H]1C[C@H](NCc2ccccc2C(=O)N(C)C)C[N@@H+]1Cc1ccccc1 ZINC000417932247 500199977 /nfs/dbraw/zinc/19/99/77/500199977.db2.gz MBGUKHOQWUZWCO-PXNSSMCTSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@H]1C[C@H](NCc2ccccc2C(=O)N(C)C)C[N@H+]1Cc1ccccc1 ZINC000417932247 500199979 /nfs/dbraw/zinc/19/99/79/500199979.db2.gz MBGUKHOQWUZWCO-PXNSSMCTSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000417934950 500200622 /nfs/dbraw/zinc/20/06/22/500200622.db2.gz PLXOSMNWVJEJQN-KURKYZTESA-N 2 1 366.937 3.100 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000417934950 500200623 /nfs/dbraw/zinc/20/06/23/500200623.db2.gz PLXOSMNWVJEJQN-KURKYZTESA-N 2 1 366.937 3.100 20 0 FGADMP C[C@@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984135 500209575 /nfs/dbraw/zinc/20/95/75/500209575.db2.gz CRFZSDCSORMGBB-UYAOXDASSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417996476 500211667 /nfs/dbraw/zinc/21/16/67/500211667.db2.gz GSLBVFDPBYFFBH-IRXDYDNUSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417996476 500211668 /nfs/dbraw/zinc/21/16/68/500211668.db2.gz GSLBVFDPBYFFBH-IRXDYDNUSA-N 2 1 370.900 3.041 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC[C@@H]1C[NH2+]C)c1ccc(Cl)cc1 ZINC000418163598 500240390 /nfs/dbraw/zinc/24/03/90/500240390.db2.gz DRMJMVYGZVQVAT-QZTJIDSGSA-N 2 1 366.937 3.116 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176936 500243237 /nfs/dbraw/zinc/24/32/37/500243237.db2.gz HLTKOQLGHKFABF-HKUYNNGSSA-N 2 1 366.937 3.103 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559639 500254063 /nfs/dbraw/zinc/25/40/63/500254063.db2.gz UCAUJVVLTAXNBY-GHTZIAJQSA-N 2 1 365.521 3.294 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C1 ZINC000430559639 500254066 /nfs/dbraw/zinc/25/40/66/500254066.db2.gz UCAUJVVLTAXNBY-GHTZIAJQSA-N 2 1 365.521 3.294 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000418238296 500254167 /nfs/dbraw/zinc/25/41/67/500254167.db2.gz FGYHLGRHZDZSKB-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430587538 500259284 /nfs/dbraw/zinc/25/92/84/500259284.db2.gz WDLBMEVSGBUBRV-QFUCXCTJSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000430587538 500259286 /nfs/dbraw/zinc/25/92/86/500259286.db2.gz WDLBMEVSGBUBRV-QFUCXCTJSA-N 2 1 373.541 3.198 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615480 500262057 /nfs/dbraw/zinc/26/20/57/500262057.db2.gz BRMWPGGDHXWHNQ-IAQYHMDHSA-N 2 1 372.282 3.119 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1F ZINC000430615480 500262059 /nfs/dbraw/zinc/26/20/59/500262059.db2.gz BRMWPGGDHXWHNQ-IAQYHMDHSA-N 2 1 372.282 3.119 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418427861 500275597 /nfs/dbraw/zinc/27/55/97/500275597.db2.gz OHENAQLYYLGELV-NJDAHSKKSA-N 2 1 372.557 3.058 20 0 FGADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000430729102 500276270 /nfs/dbraw/zinc/27/62/70/500276270.db2.gz FFLYGRNZUGZQKU-QFUCXCTJSA-N 2 1 357.542 3.379 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486403 500282526 /nfs/dbraw/zinc/28/25/26/500282526.db2.gz JJUBWVKXYYCWEQ-NDXORKPFSA-N 2 1 368.525 3.211 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C)C1 ZINC000418486401 500282822 /nfs/dbraw/zinc/28/28/22/500282822.db2.gz JJUBWVKXYYCWEQ-DQLDELGASA-N 2 1 368.525 3.211 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636397 500283959 /nfs/dbraw/zinc/28/39/59/500283959.db2.gz NCBPXQIIBOATBI-JYYAWHABSA-N 2 1 351.922 3.165 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422636397 500283962 /nfs/dbraw/zinc/28/39/62/500283962.db2.gz NCBPXQIIBOATBI-JYYAWHABSA-N 2 1 351.922 3.165 20 0 FGADMP CCN(C(=O)NCC1(C)CC[NH2+]CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418526425 500287789 /nfs/dbraw/zinc/28/77/89/500287789.db2.gz ZTAODMXVQWDQBF-ICSRJNTNSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000422704688 500288011 /nfs/dbraw/zinc/28/80/11/500288011.db2.gz QFZSTNJQOSLAFP-XMSQKQJNSA-N 2 1 351.538 3.371 20 0 FGADMP C[C@H](CC[NH3+])NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418554939 500290924 /nfs/dbraw/zinc/29/09/24/500290924.db2.gz NHPZVGDYWULHDG-LJQANCHMSA-N 2 1 368.525 3.068 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760335 500295264 /nfs/dbraw/zinc/29/52/64/500295264.db2.gz LVGLBPWIGAXSFA-KJJMTIBFSA-N 2 1 357.542 3.342 20 0 FGADMP COc1ccc([C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422768522 500295717 /nfs/dbraw/zinc/29/57/17/500295717.db2.gz TXEGWROBHRZMMK-MZYLBHOOSA-N 2 1 365.521 3.352 20 0 FGADMP C[N@@H+](CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804119 500300186 /nfs/dbraw/zinc/30/01/86/500300186.db2.gz KBAWXJLYWCNFMK-IFMALSPDSA-N 2 1 357.542 3.487 20 0 FGADMP C[N@H+](CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804119 500300189 /nfs/dbraw/zinc/30/01/89/500300189.db2.gz KBAWXJLYWCNFMK-IFMALSPDSA-N 3 1 357.542 3.487 20 0 FGADMP C[N@@H+](CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804119 500300191 /nfs/dbraw/zinc/30/01/91/500300191.db2.gz KBAWXJLYWCNFMK-IFMALSPDSA-N 3 1 357.542 3.487 20 0 FGADMP COc1ccc([C@@H](NCC[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422811258 500301280 /nfs/dbraw/zinc/30/12/80/500301280.db2.gz VRKXEIDPBQQLKJ-DHIUTWEWSA-N 2 1 365.521 3.136 20 0 FGADMP COc1ccc([C@@H](NCC[N@H+]2CCc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422811258 500301281 /nfs/dbraw/zinc/30/12/81/500301281.db2.gz VRKXEIDPBQQLKJ-DHIUTWEWSA-N 2 1 365.521 3.136 20 0 FGADMP CC[C@@H]([NH2+]CCC(=O)Nc1cc(C)c(Cl)cc1OC)[C@@H]1CCC[NH2+]1 ZINC000422822663 500302484 /nfs/dbraw/zinc/30/24/84/500302484.db2.gz KMMIUMUVSYVSCJ-CABCVRRESA-N 2 1 353.894 3.106 20 0 FGADMP CCOc1c(OC)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422836413 500304168 /nfs/dbraw/zinc/30/41/68/500304168.db2.gz KBCZTUHIIJWNCT-QAPCUYQASA-N 2 1 358.482 3.151 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418675903 500306105 /nfs/dbraw/zinc/30/61/05/500306105.db2.gz ROFZKRSLZASBEJ-HMXCVIKNSA-N 2 1 372.557 3.200 20 0 FGADMP COc1cc2[nH]c(CCC[NH2+][C@H](C)c3c[nH+]ccc3N)cc2c(OC)c1 ZINC000422865865 500307641 /nfs/dbraw/zinc/30/76/41/500307641.db2.gz PQCKDDSGKXNTST-CYBMUJFWSA-N 2 1 354.454 3.276 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886728 500310988 /nfs/dbraw/zinc/31/09/88/500310988.db2.gz XIQHKGIYQMESOL-HGSOSGBHSA-N 3 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886728 500310990 /nfs/dbraw/zinc/31/09/90/500310990.db2.gz XIQHKGIYQMESOL-HGSOSGBHSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422886728 500310991 /nfs/dbraw/zinc/31/09/91/500310991.db2.gz XIQHKGIYQMESOL-HGSOSGBHSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422893388 500312510 /nfs/dbraw/zinc/31/25/10/500312510.db2.gz QHYGWXCJFHBOSG-NQIIRXRSSA-N 2 1 352.526 3.366 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2csc(COc3ccc(OC)cc3)n2)CC1 ZINC000430968825 500314730 /nfs/dbraw/zinc/31/47/30/500314730.db2.gz XMUATPSHWIDRDB-UHFFFAOYSA-N 2 1 361.511 3.162 20 0 FGADMP CCN(C(=O)NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418780672 500322566 /nfs/dbraw/zinc/32/25/66/500322566.db2.gz YOPKGHFXYGCZDJ-SESVDKBCSA-N 2 1 372.557 3.386 20 0 FGADMP Fc1ccc(OCc2nc(C[NH+]3CCC4(CC[NH2+]C4)CC3)cs2)cc1 ZINC000431041686 500327495 /nfs/dbraw/zinc/32/74/95/500327495.db2.gz XXSJKPKOFQVAMO-UHFFFAOYSA-N 2 1 361.486 3.437 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431058218 500329617 /nfs/dbraw/zinc/32/96/17/500329617.db2.gz RMQOVOUDRSXPIR-NZSAHSFTSA-N 2 1 363.571 3.374 20 0 FGADMP CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)Nc1nccs1 ZINC000423015641 500331152 /nfs/dbraw/zinc/33/11/52/500331152.db2.gz LBZXEZIYYYVVOZ-OAGGEKHMSA-N 2 1 352.548 3.397 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431081954 500333255 /nfs/dbraw/zinc/33/32/55/500333255.db2.gz RVSBFQBCOJZBIO-SFHVURJKSA-N 2 1 351.560 3.416 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](c1cccs1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431081954 500333256 /nfs/dbraw/zinc/33/32/56/500333256.db2.gz RVSBFQBCOJZBIO-SFHVURJKSA-N 2 1 351.560 3.416 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144504 500347849 /nfs/dbraw/zinc/34/78/49/500347849.db2.gz HGPIPTOWTZLDOS-DWLFOUALSA-N 2 1 357.542 3.342 20 0 FGADMP C[C@H]([NH3+])CC[NH2+][C@H](c1ccc(Cl)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000423225149 500356221 /nfs/dbraw/zinc/35/62/21/500356221.db2.gz LKJDXABFHXZSEE-SCLBCKFNSA-N 2 1 366.914 3.160 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000427135213 500357547 /nfs/dbraw/zinc/35/75/47/500357547.db2.gz IBGBVYCZVPDBEG-HOCLYGCPSA-N 2 1 350.388 3.075 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Br)cc1Br ZINC000423296474 500362542 /nfs/dbraw/zinc/36/25/42/500362542.db2.gz GZJCLBSGRLJZQE-DTWKUNHWSA-N 2 1 350.098 3.457 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000423362044 500367316 /nfs/dbraw/zinc/36/73/16/500367316.db2.gz XKUGVTJEBRCRGX-UHFFFAOYSA-N 2 1 357.542 3.177 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000427267229 500375457 /nfs/dbraw/zinc/37/54/57/500375457.db2.gz XPMMILLMWNKCMJ-KRWDZBQOSA-N 2 1 363.933 3.154 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]CC1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000427267229 500375459 /nfs/dbraw/zinc/37/54/59/500375459.db2.gz XPMMILLMWNKCMJ-KRWDZBQOSA-N 2 1 363.933 3.154 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427280837 500377279 /nfs/dbraw/zinc/37/72/79/500377279.db2.gz MDTMRODQUVUFOT-RXVVDRJESA-N 2 1 371.569 3.355 20 0 FGADMP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423491633 500378771 /nfs/dbraw/zinc/37/87/71/500378771.db2.gz KBBGHYOUPGTIDC-NHYWBVRUSA-N 2 1 359.695 3.058 20 0 FGADMP CCc1ccccc1[C@H](N)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495351 500379469 /nfs/dbraw/zinc/37/94/69/500379469.db2.gz BWRQLUAMIUBLIX-KCZVDYSFSA-N 2 1 351.494 3.094 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562459 500392232 /nfs/dbraw/zinc/39/22/32/500392232.db2.gz WYQDFRZATFVNCN-VQTJNVASSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000423775579 500400907 /nfs/dbraw/zinc/40/09/07/500400907.db2.gz MJUPIAKBWXHONP-ZWKOTPCHSA-N 2 1 351.494 3.443 20 0 FGADMP CC(=O)NC1CCC([NH2+]CC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000427559394 500405512 /nfs/dbraw/zinc/40/55/12/500405512.db2.gz LZMNKTGQRALMQV-UGCZDOJFSA-N 2 1 357.542 3.324 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423828646 500407317 /nfs/dbraw/zinc/40/73/17/500407317.db2.gz OIXZVQVPMAUFCV-CMKODMSKSA-N 2 1 357.885 3.292 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423828646 500407322 /nfs/dbraw/zinc/40/73/22/500407322.db2.gz OIXZVQVPMAUFCV-CMKODMSKSA-N 2 1 357.885 3.292 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431700442 500411102 /nfs/dbraw/zinc/41/11/02/500411102.db2.gz VGTNIQBDYATOSI-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423896095 500416567 /nfs/dbraw/zinc/41/65/67/500416567.db2.gz GHHUUFUGLLYGIC-PMACEKPBSA-N 2 1 357.542 3.265 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731665 500416563 /nfs/dbraw/zinc/41/65/63/500416563.db2.gz JIYKHFXOKXJRLK-UXHICEINSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423892533 500416721 /nfs/dbraw/zinc/41/67/21/500416721.db2.gz CBGFGNIWOPQCEJ-UGGKCQTMSA-N 2 1 357.542 3.311 20 0 FGADMP CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897078 500417345 /nfs/dbraw/zinc/41/73/45/500417345.db2.gz HCEDBTFJYJIMHT-JAXLGGSGSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000423911271 500418194 /nfs/dbraw/zinc/41/81/94/500418194.db2.gz VJSVMIJIACYPIQ-RZUBCFFCSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000431778005 500423505 /nfs/dbraw/zinc/42/35/05/500423505.db2.gz FXKIAJAOVLPSCG-XMSQKQJNSA-N 2 1 365.521 3.242 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000420296152 500435999 /nfs/dbraw/zinc/43/59/99/500435999.db2.gz PZAVQADMOVPJMK-MEDUHNTESA-N 2 1 356.297 3.158 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420299922 500436612 /nfs/dbraw/zinc/43/66/12/500436612.db2.gz JRPUGBVJZBACER-KNQAVFIVSA-N 2 1 354.494 3.109 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301792 500437543 /nfs/dbraw/zinc/43/75/43/500437543.db2.gz JEWYWUZMOHXZJQ-GOSISDBHSA-N 2 1 358.482 3.195 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)cc1 ZINC000420302898 500437645 /nfs/dbraw/zinc/43/76/45/500437645.db2.gz JYIICFWVYQBYNW-MOPGFXCFSA-N 2 1 367.493 3.088 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c1 ZINC000420306508 500438020 /nfs/dbraw/zinc/43/80/20/500438020.db2.gz HRCRRNFSMQZTRI-AWEZNQCLSA-N 2 1 359.495 3.158 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000431893537 500439956 /nfs/dbraw/zinc/43/99/56/500439956.db2.gz GOJNAJVLEFFGRJ-NRFANRHFSA-N 2 1 357.542 3.074 20 0 FGADMP Cc1ncsc1C[N@H+](CCCOCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000420313259 500440099 /nfs/dbraw/zinc/44/00/99/500440099.db2.gz PLUMWLMSVPCTNF-LJQANCHMSA-N 2 1 359.539 3.470 20 0 FGADMP Cc1ncsc1C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000420313259 500440101 /nfs/dbraw/zinc/44/01/01/500440101.db2.gz PLUMWLMSVPCTNF-LJQANCHMSA-N 2 1 359.539 3.470 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330692 500442516 /nfs/dbraw/zinc/44/25/16/500442516.db2.gz BEMFHGNDUXRMJF-NEWSRXKRSA-N 2 1 351.494 3.488 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420328449 500442716 /nfs/dbraw/zinc/44/27/16/500442716.db2.gz ZMNCNBKQZMHUAI-CQSZACIVSA-N 2 1 368.319 3.018 20 0 FGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341001 500444850 /nfs/dbraw/zinc/44/48/50/500444850.db2.gz POYXIWKNKBJUAG-CWRNSKLLSA-N 2 1 360.889 3.306 20 0 FGADMP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573445552 506195860 /nfs/dbraw/zinc/19/58/60/506195860.db2.gz XFXFZDYZEZWANW-OAQYLSRUSA-N 3 1 371.569 3.009 20 0 FGADMP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573445552 506195865 /nfs/dbraw/zinc/19/58/65/506195865.db2.gz XFXFZDYZEZWANW-OAQYLSRUSA-N 3 1 371.569 3.009 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2CCN(c3ccccc3)CC2)cc1 ZINC000420381535 500451820 /nfs/dbraw/zinc/45/18/20/500451820.db2.gz XPEUGZVLWDMZQK-LJQANCHMSA-N 2 1 353.510 3.338 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)N[C@H]1CCCc2ccccc21 ZINC000420379920 500452064 /nfs/dbraw/zinc/45/20/64/500452064.db2.gz BOKVQWIGHCLFSO-SESVDKBCSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116564 500456585 /nfs/dbraw/zinc/45/65/85/500456585.db2.gz XMDCLCFYOFJSSM-YLJYHZDGSA-N 2 1 357.542 3.408 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000570564356 506196830 /nfs/dbraw/zinc/19/68/30/506196830.db2.gz NCUOWNUYEWYZCR-IBGZPJMESA-N 2 1 360.473 3.195 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nn(-c3ccc(F)cc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424285988 500481183 /nfs/dbraw/zinc/48/11/83/500481183.db2.gz GPHOZNHVLJOXDE-INIZCTEOSA-N 2 1 368.500 3.464 20 0 FGADMP CC[C@@H]1CCC[N@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428213245 500482134 /nfs/dbraw/zinc/48/21/34/500482134.db2.gz RDMARPRKQWTZED-MRXNPFEDSA-N 2 1 350.532 3.188 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428215170 500482117 /nfs/dbraw/zinc/48/21/17/500482117.db2.gz JUKSYKOZTDRMJC-LSDHHAIUSA-N 2 1 350.532 3.044 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2ccncc2)c2cccs2)CC1(C)C ZINC000424357150 500490988 /nfs/dbraw/zinc/49/09/88/500490988.db2.gz WCMDHOMNDNBIQK-GOSISDBHSA-N 2 1 358.555 3.043 20 0 FGADMP C[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1cnn(Cc2ccccc2)c1 ZINC000424370307 500492686 /nfs/dbraw/zinc/49/26/86/500492686.db2.gz DOVBAMKINXEEQN-INIZCTEOSA-N 2 1 365.481 3.237 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424427265 500502112 /nfs/dbraw/zinc/50/21/12/500502112.db2.gz ODRDACABHYDYOI-SFHVURJKSA-N 2 1 352.482 3.097 20 0 FGADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OCC ZINC000432345577 500502407 /nfs/dbraw/zinc/50/24/07/500502407.db2.gz GMCLSAJRXATZRD-KRWDZBQOSA-N 2 1 350.503 3.075 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000424427511 500503236 /nfs/dbraw/zinc/50/32/36/500503236.db2.gz PRRUDEXAORDZES-JXFKEZNVSA-N 2 1 352.482 3.096 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420813659 500508025 /nfs/dbraw/zinc/50/80/25/500508025.db2.gz YMLPVOGKYTVSBG-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420813659 500508028 /nfs/dbraw/zinc/50/80/28/500508028.db2.gz YMLPVOGKYTVSBG-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CC3 ZINC000432408341 500512442 /nfs/dbraw/zinc/51/24/42/500512442.db2.gz BCKISSSTTPIAGE-SJORKVTESA-N 2 1 371.525 3.124 20 0 FGADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC3 ZINC000432408341 500512445 /nfs/dbraw/zinc/51/24/45/500512445.db2.gz BCKISSSTTPIAGE-SJORKVTESA-N 2 1 371.525 3.124 20 0 FGADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[N@H+]3CCCO[C@@H](C)C3)CC2)C1 ZINC000432416953 500513629 /nfs/dbraw/zinc/51/36/29/500513629.db2.gz JSCHGIHDGOUFJB-DYXWJJEUSA-N 2 1 351.579 3.120 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000420856051 500516276 /nfs/dbraw/zinc/51/62/76/500516276.db2.gz CHFAXSOYKVTFOL-UXHICEINSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000420856051 500516278 /nfs/dbraw/zinc/51/62/78/500516278.db2.gz CHFAXSOYKVTFOL-UXHICEINSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000420856051 500516282 /nfs/dbraw/zinc/51/62/82/500516282.db2.gz CHFAXSOYKVTFOL-UXHICEINSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSCc3ccccc3)CC2)CC1 ZINC000420984349 500547441 /nfs/dbraw/zinc/54/74/41/500547441.db2.gz SOHLBXJQRGGLBE-UHFFFAOYSA-N 2 1 361.599 3.412 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCOc3cccc(Cl)c3)CC2)CC1 ZINC000421018844 500555601 /nfs/dbraw/zinc/55/56/01/500555601.db2.gz XGLZBHDBUAAGPW-UHFFFAOYSA-N 2 1 365.949 3.211 20 0 FGADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000437057935 500596835 /nfs/dbraw/zinc/59/68/35/500596835.db2.gz OJRLHAZOEXDFAD-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000437057935 500596837 /nfs/dbraw/zinc/59/68/37/500596837.db2.gz OJRLHAZOEXDFAD-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000437057935 500596839 /nfs/dbraw/zinc/59/68/39/500596839.db2.gz OJRLHAZOEXDFAD-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000437057935 500596841 /nfs/dbraw/zinc/59/68/41/500596841.db2.gz OJRLHAZOEXDFAD-JOCHJYFZSA-N 2 1 365.521 3.099 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625768 500605637 /nfs/dbraw/zinc/60/56/37/500605637.db2.gz OXOCPLRBKYUSDW-OALUTQOASA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H]1CN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000576656172 506206209 /nfs/dbraw/zinc/20/62/09/506206209.db2.gz LURMSIAYQBJUGQ-HRTMPFAESA-N 2 1 359.558 3.130 20 0 FGADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528253 500618035 /nfs/dbraw/zinc/61/80/35/500618035.db2.gz IGTYNURTHLBQNE-RTWAWAEBSA-N 2 1 357.542 3.403 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433085255 500622863 /nfs/dbraw/zinc/62/28/63/500622863.db2.gz UDXSEEUTEPPFMZ-JYUKWDKTSA-N 2 1 374.569 3.269 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771991 500623690 /nfs/dbraw/zinc/62/36/90/500623690.db2.gz ULLMLUYAEIXIID-DRSNIGMVSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771991 500623695 /nfs/dbraw/zinc/62/36/95/500623695.db2.gz ULLMLUYAEIXIID-DRSNIGMVSA-N 2 1 369.484 3.043 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCS2 ZINC000442869577 500637219 /nfs/dbraw/zinc/63/72/19/500637219.db2.gz DSDUSVMUWLUQNM-GOSISDBHSA-N 2 1 363.571 3.238 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000442878612 500638720 /nfs/dbraw/zinc/63/87/20/500638720.db2.gz ZJJGRWAFISJUCL-GOSISDBHSA-N 2 1 374.573 3.143 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433310259 500668551 /nfs/dbraw/zinc/66/85/51/500668551.db2.gz HIRQGOHZTLJUFF-QGZVFWFLSA-N 2 1 363.933 3.118 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000433310259 500668554 /nfs/dbraw/zinc/66/85/54/500668554.db2.gz HIRQGOHZTLJUFF-QGZVFWFLSA-N 2 1 363.933 3.118 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064950 500672777 /nfs/dbraw/zinc/67/27/77/500672777.db2.gz ZCJTZXWZRQBSIT-RBBKRZOGSA-N 2 1 365.521 3.147 20 0 FGADMP CC(C)N1CCC[C@@H]([N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947776 500694325 /nfs/dbraw/zinc/69/43/25/500694325.db2.gz IBZMJFXGTJLDCQ-MSOLQXFVSA-N 2 1 361.555 3.092 20 0 FGADMP C[N@H+](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@H]1CCSC1 ZINC000443226259 500698505 /nfs/dbraw/zinc/69/85/05/500698505.db2.gz RYCKVNSQDGTIEX-KRWDZBQOSA-N 2 1 358.511 3.270 20 0 FGADMP C[N@@H+](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@H]1CCSC1 ZINC000443226259 500698507 /nfs/dbraw/zinc/69/85/07/500698507.db2.gz RYCKVNSQDGTIEX-KRWDZBQOSA-N 2 1 358.511 3.270 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)C1 ZINC000433567996 500713797 /nfs/dbraw/zinc/71/37/97/500713797.db2.gz KBKBNRZABGUDDW-GGPKGHCWSA-N 2 1 364.578 3.061 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)CCCn1cc[nH+]c1C)[NH+]1CCCC1 ZINC000437911245 500715799 /nfs/dbraw/zinc/71/57/99/500715799.db2.gz ATWNMUSZJOPHCS-IBGZPJMESA-N 2 1 363.550 3.124 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409903 500720965 /nfs/dbraw/zinc/72/09/65/500720965.db2.gz YHLQNLDTPJHPNR-HYVNUMGLSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409903 500720966 /nfs/dbraw/zinc/72/09/66/500720966.db2.gz YHLQNLDTPJHPNR-HYVNUMGLSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC000443409903 500720967 /nfs/dbraw/zinc/72/09/67/500720967.db2.gz YHLQNLDTPJHPNR-HYVNUMGLSA-N 2 1 358.448 3.413 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574984 500740587 /nfs/dbraw/zinc/74/05/87/500740587.db2.gz GCHGMHCHOGGWFQ-KYJSFNMBSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574984 500740590 /nfs/dbraw/zinc/74/05/90/500740590.db2.gz GCHGMHCHOGGWFQ-KYJSFNMBSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000443574984 500740593 /nfs/dbraw/zinc/74/05/93/500740593.db2.gz GCHGMHCHOGGWFQ-KYJSFNMBSA-N 2 1 358.448 3.271 20 0 FGADMP C[C@@H](NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000443645694 500749487 /nfs/dbraw/zinc/74/94/87/500749487.db2.gz IUGGHPFYRXMWBK-PBHICJAKSA-N 2 1 368.953 3.218 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000570710422 506214857 /nfs/dbraw/zinc/21/48/57/506214857.db2.gz ZTLIRGDSUWHROT-DLBZAZTESA-N 2 1 354.922 3.098 20 0 FGADMP CC[C@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509317 500794808 /nfs/dbraw/zinc/79/48/08/500794808.db2.gz OLAISKDSGYRVLI-RXVVDRJESA-N 2 1 373.541 3.070 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C3CCCC3)C2)CC1 ZINC000438565374 500802410 /nfs/dbraw/zinc/80/24/10/500802410.db2.gz CFEFOFZGMXESHV-TZIWHRDSSA-N 2 1 361.574 3.364 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438570913 500802961 /nfs/dbraw/zinc/80/29/61/500802961.db2.gz YHROWLDODYYPCH-RTBURBONSA-N 2 1 359.514 3.330 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438570913 500802964 /nfs/dbraw/zinc/80/29/64/500802964.db2.gz YHROWLDODYYPCH-RTBURBONSA-N 2 1 359.514 3.330 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000444622857 500868229 /nfs/dbraw/zinc/86/82/29/500868229.db2.gz IBLBHNGMUCDWII-KRWDZBQOSA-N 2 1 374.447 3.253 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000444622857 500868234 /nfs/dbraw/zinc/86/82/34/500868234.db2.gz IBLBHNGMUCDWII-KRWDZBQOSA-N 2 1 374.447 3.253 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC1(c2ccccc2)CC1)c1ccccc1 ZINC000444678704 500877735 /nfs/dbraw/zinc/87/77/35/500877735.db2.gz YCYKHYPROGZZCL-NRFANRHFSA-N 2 1 365.521 3.069 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449037460 500907264 /nfs/dbraw/zinc/90/72/64/500907264.db2.gz NIDUIXBYPRHZTG-FQEVSTJZSA-N 2 1 374.504 3.159 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(I)cc1 ZINC000449078784 500919747 /nfs/dbraw/zinc/91/97/47/500919747.db2.gz YOCMIYRUEBPQRV-LBPRGKRZSA-N 2 1 369.250 3.222 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCC1 ZINC000449145482 500934700 /nfs/dbraw/zinc/93/47/00/500934700.db2.gz LKQHEMSJLBPTMY-LEWJYISDSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000449218126 500950628 /nfs/dbraw/zinc/95/06/28/500950628.db2.gz FOUCHDYCMOZFQO-LVCYWYKZSA-N 2 1 373.541 3.262 20 0 FGADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435378153 500962846 /nfs/dbraw/zinc/96/28/46/500962846.db2.gz CGXAPTHRZCHNLM-QGZVFWFLSA-N 2 1 352.507 3.441 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@H]([NH3+])[C@H](C)C4)cc3)nc12 ZINC000435376681 500963298 /nfs/dbraw/zinc/96/32/98/500963298.db2.gz SYNKWYHXXOCMAK-DYESRHJHSA-N 2 1 364.493 3.391 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000435378887 500963586 /nfs/dbraw/zinc/96/35/86/500963586.db2.gz ABWOKUYHDWZEEY-ZLGUVYLKSA-N 2 1 367.493 3.228 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000435383901 500964568 /nfs/dbraw/zinc/96/45/68/500964568.db2.gz JUYZNNHHXDZWTA-UHFFFAOYSA-N 2 1 354.285 3.006 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435387031 500966114 /nfs/dbraw/zinc/96/61/14/500966114.db2.gz WKCDPZPPVMIYGQ-ZAAXVRCTSA-N 2 1 358.917 3.371 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CC(N)=O)c2ccccc2)CC1 ZINC000449345440 500982679 /nfs/dbraw/zinc/98/26/79/500982679.db2.gz VNGQRBSRRGYBNJ-XMSQKQJNSA-N 2 1 365.521 3.288 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2CCC[N@@H+](CCCO)C2)CC1 ZINC000449398579 500994309 /nfs/dbraw/zinc/99/43/09/500994309.db2.gz VQGGKWHBGMQKBL-LJQANCHMSA-N 2 1 353.595 3.102 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000449398579 500994312 /nfs/dbraw/zinc/99/43/12/500994312.db2.gz VQGGKWHBGMQKBL-LJQANCHMSA-N 2 1 353.595 3.102 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+](CC2CC2)CC2CC2)CC1 ZINC000440475891 501012293 /nfs/dbraw/zinc/01/22/93/501012293.db2.gz GJXZRMOXRAPUNW-SFHVURJKSA-N 2 1 355.526 3.014 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692177 501012840 /nfs/dbraw/zinc/01/28/40/501012840.db2.gz FQRBZNKOVZGZHD-WMZOPIPTSA-N 2 1 361.555 3.093 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692177 501012841 /nfs/dbraw/zinc/01/28/41/501012841.db2.gz FQRBZNKOVZGZHD-WMZOPIPTSA-N 2 1 361.555 3.093 20 0 FGADMP CCc1ccc(CC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000435695363 501013207 /nfs/dbraw/zinc/01/32/07/501013207.db2.gz NDYFHUOOIHWYRA-FQEVSTJZSA-N 2 1 352.526 3.169 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000449486447 501014800 /nfs/dbraw/zinc/01/48/00/501014800.db2.gz SHXLWVOEAPUOTO-ROUUACIJSA-N 2 1 362.514 3.252 20 0 FGADMP CC[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494509 501017663 /nfs/dbraw/zinc/01/76/63/501017663.db2.gz GQSXTIPQZBXYST-FGZHOGPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494509 501017665 /nfs/dbraw/zinc/01/76/65/501017665.db2.gz GQSXTIPQZBXYST-FGZHOGPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494509 501017667 /nfs/dbraw/zinc/01/76/67/501017667.db2.gz GQSXTIPQZBXYST-FGZHOGPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1)c1ccccc1 ZINC000449494509 501017668 /nfs/dbraw/zinc/01/76/68/501017668.db2.gz GQSXTIPQZBXYST-FGZHOGPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)[C@@H](C)C1 ZINC000449547586 501029795 /nfs/dbraw/zinc/02/97/95/501029795.db2.gz IXBKFLRCUNGAEW-GMBSWORKSA-N 2 1 374.479 3.463 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NCC[NH+]2CCC3(CCCCC3)CC2)n1 ZINC000440651112 501034764 /nfs/dbraw/zinc/03/47/64/501034764.db2.gz PAOGXHCLRCDLLQ-UHFFFAOYSA-N 2 1 354.502 3.429 20 0 FGADMP C[C@H](C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000440925314 501064161 /nfs/dbraw/zinc/06/41/61/501064161.db2.gz WXFFTUOFTCRQSG-UEXGIBASSA-N 2 1 369.553 3.071 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000449748918 501074761 /nfs/dbraw/zinc/07/47/61/501074761.db2.gz DBXHJXBGSRBQIE-HXUWFJFHSA-N 2 1 351.494 3.189 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000436304170 501104903 /nfs/dbraw/zinc/10/49/03/501104903.db2.gz CZHTVIMZROYFNT-YMQHIKHWSA-N 2 1 356.510 3.218 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441449260 501141609 /nfs/dbraw/zinc/14/16/09/501141609.db2.gz IWGZCGFEKLMUAL-UNMCSNQZSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441449260 501141610 /nfs/dbraw/zinc/14/16/10/501141610.db2.gz IWGZCGFEKLMUAL-UNMCSNQZSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000441449260 501141613 /nfs/dbraw/zinc/14/16/13/501141613.db2.gz IWGZCGFEKLMUAL-UNMCSNQZSA-N 2 1 369.553 3.294 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)CC)cc1 ZINC000450763570 501203756 /nfs/dbraw/zinc/20/37/56/501203756.db2.gz UEDSHYBUYZJFQM-AZUAARDMSA-N 2 1 366.571 3.470 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830544 501215353 /nfs/dbraw/zinc/21/53/53/501215353.db2.gz OHBXIXJFFKDQOI-GHTZIAJQSA-N 2 1 370.541 3.332 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830544 501215356 /nfs/dbraw/zinc/21/53/56/501215356.db2.gz OHBXIXJFFKDQOI-GHTZIAJQSA-N 2 1 370.541 3.332 20 0 FGADMP FC1(F)CC[C@H](C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000450980827 501236656 /nfs/dbraw/zinc/23/66/56/501236656.db2.gz GSTODIWLSJWQMV-PMACEKPBSA-N 2 1 363.496 3.314 20 0 FGADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC(F)(F)F ZINC000451170339 501249730 /nfs/dbraw/zinc/24/97/30/501249730.db2.gz DDHAOGJAMYSZKJ-INIZCTEOSA-N 2 1 363.468 3.174 20 0 FGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)C2 ZINC000453125833 501273821 /nfs/dbraw/zinc/27/38/21/501273821.db2.gz ATDIQHFTPADGAR-XWSHUIEDSA-N 2 1 350.510 3.300 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000457678956 501285218 /nfs/dbraw/zinc/28/52/18/501285218.db2.gz USCNSALWVVCEEF-JOCHJYFZSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000453196997 501289016 /nfs/dbraw/zinc/28/90/16/501289016.db2.gz MPKROEZHZMFDEU-GCJKJVERSA-N 2 1 353.510 3.149 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525765 501312831 /nfs/dbraw/zinc/31/28/31/501312831.db2.gz BBAOARHUKPTIML-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525765 501312834 /nfs/dbraw/zinc/31/28/34/501312834.db2.gz BBAOARHUKPTIML-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525765 501312838 /nfs/dbraw/zinc/31/28/38/501312838.db2.gz BBAOARHUKPTIML-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000451525765 501312841 /nfs/dbraw/zinc/31/28/41/501312841.db2.gz BBAOARHUKPTIML-FPOVZHCZSA-N 2 1 357.542 3.322 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000455476747 501313204 /nfs/dbraw/zinc/31/32/04/501313204.db2.gz SRYLETGDKLCZFQ-KSZLIROESA-N 2 1 369.513 3.268 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1C[C@H](C)N(Cc2ccccc2)C[C@H]1C ZINC000455476747 501313205 /nfs/dbraw/zinc/31/32/05/501313205.db2.gz SRYLETGDKLCZFQ-KSZLIROESA-N 2 1 369.513 3.268 20 0 FGADMP Cc1cc(NC(=O)NCc2ccc(CC[NH+](C)C)cc2)cn2cc[nH+]c12 ZINC000455614366 501348077 /nfs/dbraw/zinc/34/80/77/501348077.db2.gz COWVDUIAMKCCLD-UHFFFAOYSA-N 2 1 351.454 3.069 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134069 501377451 /nfs/dbraw/zinc/37/74/51/501377451.db2.gz HSSYSTILSKRQMI-RTWAWAEBSA-N 2 1 372.557 3.256 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455904261 501411668 /nfs/dbraw/zinc/41/16/68/501411668.db2.gz GYKCSFURYCYXDN-IBGZPJMESA-N 2 1 355.486 3.294 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC(C)(C)C[NH+]2CCCC2)cc1 ZINC000458533105 501467526 /nfs/dbraw/zinc/46/75/26/501467526.db2.gz NODDQGYFKULDKA-MRXNPFEDSA-N 2 1 369.513 3.415 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459349930 501636697 /nfs/dbraw/zinc/63/66/97/501636697.db2.gz NXRAIBBYLKNQDU-QGZVFWFLSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000459349930 501636700 /nfs/dbraw/zinc/63/67/00/501636700.db2.gz NXRAIBBYLKNQDU-QGZVFWFLSA-N 2 1 353.514 3.444 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363556 501639950 /nfs/dbraw/zinc/63/99/50/501639950.db2.gz RJDYXVXNOPAGEW-RFWXGWTQSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363556 501639952 /nfs/dbraw/zinc/63/99/52/501639952.db2.gz RJDYXVXNOPAGEW-RFWXGWTQSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363556 501639954 /nfs/dbraw/zinc/63/99/54/501639954.db2.gz RJDYXVXNOPAGEW-RFWXGWTQSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]Cc2cn3cccnc3n2)C1 ZINC000459387092 501644420 /nfs/dbraw/zinc/64/44/20/501644420.db2.gz JHMCFJDTJUOXNP-QZTJIDSGSA-N 2 1 363.509 3.497 20 0 FGADMP Brc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459414105 501649478 /nfs/dbraw/zinc/64/94/78/501649478.db2.gz PPZDLPJMIXBDQV-OAHLLOKOSA-N 2 1 364.331 3.244 20 0 FGADMP C[NH+](C)C[C@](C)(O)C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1 ZINC000459440848 501654630 /nfs/dbraw/zinc/65/46/30/501654630.db2.gz XTHDWRGYYQYIBM-AMZHIVGSSA-N 2 1 354.494 3.181 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCCC2)CC1 ZINC000459443960 501655155 /nfs/dbraw/zinc/65/51/55/501655155.db2.gz LHWVBHWRFJGARK-UHFFFAOYSA-N 3 1 372.557 3.064 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000457435894 501697817 /nfs/dbraw/zinc/69/78/17/501697817.db2.gz GJMQPOVWPTZYPP-HOTGVXAUSA-N 2 1 359.474 3.083 20 0 FGADMP C(CC[NH+]1CC2(CCC2)[C@@H]2COC[C@@H]21)CC[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459686183 501699068 /nfs/dbraw/zinc/69/90/68/501699068.db2.gz VKZDBIQCMMHEHV-CGXNFDGLSA-N 2 1 374.569 3.159 20 0 FGADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OCc2cccnc2)c1 ZINC000459727081 501704942 /nfs/dbraw/zinc/70/49/42/501704942.db2.gz CEKGIVZFCPWLDN-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459728565 501705369 /nfs/dbraw/zinc/70/53/69/501705369.db2.gz IIKYPGKLMDYWIE-AWEZNQCLSA-N 2 1 360.454 3.050 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459736663 501706105 /nfs/dbraw/zinc/70/61/05/501706105.db2.gz QIANSJNTBMLJFB-FQEVSTJZSA-N 3 1 358.574 3.040 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173301 501729681 /nfs/dbraw/zinc/72/96/81/501729681.db2.gz GAQPSSNATFZPNY-FNOBOGDDSA-N 2 1 370.541 3.138 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292385 501735409 /nfs/dbraw/zinc/73/54/09/501735409.db2.gz MYENAVHKMQAQQG-KRWDZBQOSA-N 2 1 351.922 3.137 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000467395468 501783746 /nfs/dbraw/zinc/78/37/46/501783746.db2.gz TVLDMSGZSJTPFP-PTUXOGIPSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000467395468 501783753 /nfs/dbraw/zinc/78/37/53/501783753.db2.gz TVLDMSGZSJTPFP-PTUXOGIPSA-N 2 1 352.522 3.399 20 0 FGADMP CN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000474337646 501796401 /nfs/dbraw/zinc/79/64/01/501796401.db2.gz OTYGDPNRXBHJJP-NRFANRHFSA-N 2 1 366.509 3.486 20 0 FGADMP CC(C)(C)OC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472902 501831301 /nfs/dbraw/zinc/83/13/01/501831301.db2.gz DELBMRWAMHTONR-FQEVSTJZSA-N 2 1 360.542 3.151 20 0 FGADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479901 501833127 /nfs/dbraw/zinc/83/31/27/501833127.db2.gz WZZYCIHVWHPIKD-RTBURBONSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470921800 501855636 /nfs/dbraw/zinc/85/56/36/501855636.db2.gz CRZRDYQMRZAGSM-HRQSHJORSA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470921800 501855642 /nfs/dbraw/zinc/85/56/42/501855642.db2.gz CRZRDYQMRZAGSM-HRQSHJORSA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@H](C2CC2)O1 ZINC000470921800 501855646 /nfs/dbraw/zinc/85/56/46/501855646.db2.gz CRZRDYQMRZAGSM-HRQSHJORSA-N 2 1 350.547 3.155 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nc(C(F)(F)F)cs2)CC1 ZINC000467749569 501859761 /nfs/dbraw/zinc/85/97/61/501859761.db2.gz OZLPRFPPVXEVRS-ZDUSSCGKSA-N 2 1 364.481 3.230 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000482136987 501985982 /nfs/dbraw/zinc/98/59/82/501985982.db2.gz QTSXRJRUJCPFON-ICSRJNTNSA-N 2 1 359.514 3.318 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@H](O)C3CCCCC3)CC2)CC1 ZINC000475041549 502032185 /nfs/dbraw/zinc/03/21/85/502032185.db2.gz YVHHUIJHEFZZML-QFIPXVFZSA-N 2 1 365.606 3.056 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)C1CCCCC1 ZINC000475041549 502032188 /nfs/dbraw/zinc/03/21/88/502032188.db2.gz YVHHUIJHEFZZML-QFIPXVFZSA-N 3 1 365.606 3.056 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H](O)C1CCCCC1 ZINC000475041549 502032193 /nfs/dbraw/zinc/03/21/93/502032193.db2.gz YVHHUIJHEFZZML-QFIPXVFZSA-N 3 1 365.606 3.056 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475097820 502057664 /nfs/dbraw/zinc/05/76/64/502057664.db2.gz QYHPKFPBBMUYHE-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2C)CC1 ZINC000475151853 502082550 /nfs/dbraw/zinc/08/25/50/502082550.db2.gz SGCZSMAMLYMHPR-TZIWHRDSSA-N 2 1 357.542 3.198 20 0 FGADMP CC[C@@]1(C)CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000464781466 502093474 /nfs/dbraw/zinc/09/34/74/502093474.db2.gz VKRZGFURSCTXBS-QFIPXVFZSA-N 2 1 357.542 3.411 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000482548077 502107879 /nfs/dbraw/zinc/10/78/79/502107879.db2.gz MAGKVGUVXHFZCR-IBGZPJMESA-N 2 1 374.573 3.144 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000461729931 502182232 /nfs/dbraw/zinc/18/22/32/502182232.db2.gz QKIYNSQDTQDIJH-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000475495424 502190512 /nfs/dbraw/zinc/19/05/12/502190512.db2.gz DYXQTYLJWJKCKD-OAQYLSRUSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000475495424 502190515 /nfs/dbraw/zinc/19/05/15/502190515.db2.gz DYXQTYLJWJKCKD-OAQYLSRUSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000482937009 502221288 /nfs/dbraw/zinc/22/12/88/502221288.db2.gz MRNZLJUXDXYPRX-LJQANCHMSA-N 2 1 361.505 3.028 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000482937009 502221292 /nfs/dbraw/zinc/22/12/92/502221292.db2.gz MRNZLJUXDXYPRX-LJQANCHMSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465395781 502249163 /nfs/dbraw/zinc/24/91/63/502249163.db2.gz AHZYLBPPUXBDSD-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475730878 502268577 /nfs/dbraw/zinc/26/85/77/502268577.db2.gz SNVQTGIRMWRQCV-QFIPXVFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475730878 502268580 /nfs/dbraw/zinc/26/85/80/502268580.db2.gz SNVQTGIRMWRQCV-QFIPXVFZSA-N 2 1 357.542 3.281 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475730878 502268585 /nfs/dbraw/zinc/26/85/85/502268585.db2.gz SNVQTGIRMWRQCV-QFIPXVFZSA-N 2 1 357.542 3.281 20 0 FGADMP C[NH+](C)[C@]1(CNc2cc[nH+]c3ccc(Br)cc23)CCSC1 ZINC000479494552 502276088 /nfs/dbraw/zinc/27/60/88/502276088.db2.gz CKOXIWXWCUXXQQ-INIZCTEOSA-N 2 1 366.328 3.268 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000472230596 502278537 /nfs/dbraw/zinc/27/85/37/502278537.db2.gz GQSBFJVLEIDADJ-VQIMIIECSA-N 2 1 361.917 3.109 20 0 FGADMP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)CC1CCC1 ZINC000483123588 502281322 /nfs/dbraw/zinc/28/13/22/502281322.db2.gz SMPFYIZEBWLFSI-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1)CC1CCC1 ZINC000483123588 502281325 /nfs/dbraw/zinc/28/13/25/502281325.db2.gz SMPFYIZEBWLFSI-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000465559807 502308029 /nfs/dbraw/zinc/30/80/29/502308029.db2.gz BNEDNFIJULNIOI-DBXWQHBBSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000465559807 502308037 /nfs/dbraw/zinc/30/80/37/502308037.db2.gz BNEDNFIJULNIOI-DBXWQHBBSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000465559807 502308045 /nfs/dbraw/zinc/30/80/45/502308045.db2.gz BNEDNFIJULNIOI-DBXWQHBBSA-N 2 1 372.557 3.343 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000483200913 502312951 /nfs/dbraw/zinc/31/29/51/502312951.db2.gz VYVMQKXNIYPQPY-UHFFFAOYSA-N 2 1 366.575 3.065 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608036 502324388 /nfs/dbraw/zinc/32/43/88/502324388.db2.gz UCPZVZBCQWIVLZ-QUCCMNQESA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465608036 502324392 /nfs/dbraw/zinc/32/43/92/502324392.db2.gz UCPZVZBCQWIVLZ-QUCCMNQESA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465608036 502324395 /nfs/dbraw/zinc/32/43/95/502324395.db2.gz UCPZVZBCQWIVLZ-QUCCMNQESA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000462191207 502342558 /nfs/dbraw/zinc/34/25/58/502342558.db2.gz VDTNDGVPLWCKGE-WOIUINJBSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000462191207 502342563 /nfs/dbraw/zinc/34/25/63/502342563.db2.gz VDTNDGVPLWCKGE-WOIUINJBSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191207 502342567 /nfs/dbraw/zinc/34/25/67/502342567.db2.gz VDTNDGVPLWCKGE-WOIUINJBSA-N 2 1 365.521 3.144 20 0 FGADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000462191207 502342571 /nfs/dbraw/zinc/34/25/71/502342571.db2.gz VDTNDGVPLWCKGE-WOIUINJBSA-N 2 1 365.521 3.144 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000479682009 502342894 /nfs/dbraw/zinc/34/28/94/502342894.db2.gz DMOPVWSNBKYCDF-GOSISDBHSA-N 2 1 355.482 3.017 20 0 FGADMP COc1cc(C[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)ccc1O ZINC000483341980 502356544 /nfs/dbraw/zinc/35/65/44/502356544.db2.gz YGTQZGGTGIFYKC-UHFFFAOYSA-N 2 1 364.449 3.455 20 0 FGADMP COc1cc(C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)ccc1O ZINC000483341980 502356548 /nfs/dbraw/zinc/35/65/48/502356548.db2.gz YGTQZGGTGIFYKC-UHFFFAOYSA-N 2 1 364.449 3.455 20 0 FGADMP CC1=C(C)C[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000483348760 502358668 /nfs/dbraw/zinc/35/86/68/502358668.db2.gz NAOQZEQFRCZPFZ-LJQANCHMSA-N 2 1 355.526 3.198 20 0 FGADMP CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472475100 502363403 /nfs/dbraw/zinc/36/34/03/502363403.db2.gz FGHNYIDQGQJVEJ-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1)C(C)C ZINC000465828447 502396916 /nfs/dbraw/zinc/39/69/16/502396916.db2.gz BBPVGRWLYZPJIB-IBGZPJMESA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000465828447 502396919 /nfs/dbraw/zinc/39/69/19/502396919.db2.gz BBPVGRWLYZPJIB-IBGZPJMESA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000465828447 502396923 /nfs/dbraw/zinc/39/69/23/502396923.db2.gz BBPVGRWLYZPJIB-IBGZPJMESA-N 2 1 360.546 3.023 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487261679 502404296 /nfs/dbraw/zinc/40/42/96/502404296.db2.gz BYHDJNBWGVWTQK-MSOLQXFVSA-N 2 1 352.906 3.206 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000465939351 502433850 /nfs/dbraw/zinc/43/38/50/502433850.db2.gz SHPGQCKBSMGORV-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000465939351 502433855 /nfs/dbraw/zinc/43/38/55/502433855.db2.gz SHPGQCKBSMGORV-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000465939351 502433860 /nfs/dbraw/zinc/43/38/60/502433860.db2.gz SHPGQCKBSMGORV-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)C1 ZINC000465991239 502448538 /nfs/dbraw/zinc/44/85/38/502448538.db2.gz ZJJFNKAYPFOUPZ-QYZOEREBSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676224 502460065 /nfs/dbraw/zinc/46/00/65/502460065.db2.gz BNLVNUFJYKSDDG-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676224 502460069 /nfs/dbraw/zinc/46/00/69/502460069.db2.gz BNLVNUFJYKSDDG-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676224 502460072 /nfs/dbraw/zinc/46/00/72/502460072.db2.gz BNLVNUFJYKSDDG-NRSPTQNISA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000483700255 502468018 /nfs/dbraw/zinc/46/80/18/502468018.db2.gz JZNDNSFNMDABHP-HKUYNNGSSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000483700255 502468022 /nfs/dbraw/zinc/46/80/22/502468022.db2.gz JZNDNSFNMDABHP-HKUYNNGSSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000483700255 502468026 /nfs/dbraw/zinc/46/80/26/502468026.db2.gz JZNDNSFNMDABHP-HKUYNNGSSA-N 2 1 352.567 3.155 20 0 FGADMP CC[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000480166070 502489217 /nfs/dbraw/zinc/48/92/17/502489217.db2.gz AVGKKEOHGDULSB-LJQANCHMSA-N 2 1 361.530 3.070 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H]1C ZINC000483822122 502501462 /nfs/dbraw/zinc/50/14/62/502501462.db2.gz RZFOFXYPPFMIPP-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP CN(C(=O)NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000476487024 502502928 /nfs/dbraw/zinc/50/29/28/502502928.db2.gz JYKIKMRMYBPFSI-OAQYLSRUSA-N 2 1 370.541 3.051 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000466295819 502530221 /nfs/dbraw/zinc/53/02/21/502530221.db2.gz HHKZHKTYTYRSRG-IBGZPJMESA-N 2 1 374.529 3.013 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cn(C(C)(C)C)nn2)C[N@H+]1Cc1ccccc1 ZINC000480305817 502532583 /nfs/dbraw/zinc/53/25/83/502532583.db2.gz GNWWSQNXVYFHEL-MJGOQNOKSA-N 2 1 355.530 3.423 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000473170109 502534372 /nfs/dbraw/zinc/53/43/72/502534372.db2.gz DVXNZNDXAFBLDJ-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000473170109 502534375 /nfs/dbraw/zinc/53/43/75/502534375.db2.gz DVXNZNDXAFBLDJ-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000473170109 502534376 /nfs/dbraw/zinc/53/43/76/502534376.db2.gz DVXNZNDXAFBLDJ-MOPGFXCFSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000483966664 502535448 /nfs/dbraw/zinc/53/54/48/502535448.db2.gz XMKAMLGACNZAIL-NRFANRHFSA-N 2 1 356.514 3.113 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462721429 502548531 /nfs/dbraw/zinc/54/85/31/502548531.db2.gz MAAUSQNHELFOOY-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462721429 502548534 /nfs/dbraw/zinc/54/85/34/502548534.db2.gz MAAUSQNHELFOOY-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462721429 502548537 /nfs/dbraw/zinc/54/85/37/502548537.db2.gz MAAUSQNHELFOOY-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462748017 502556091 /nfs/dbraw/zinc/55/60/91/502556091.db2.gz ZPNHARLMHLJGDL-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462748017 502556096 /nfs/dbraw/zinc/55/60/96/502556096.db2.gz ZPNHARLMHLJGDL-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748017 502556098 /nfs/dbraw/zinc/55/60/98/502556098.db2.gz ZPNHARLMHLJGDL-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466396950 502557970 /nfs/dbraw/zinc/55/79/70/502557970.db2.gz SAOHAPCSBRCNIO-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396950 502557975 /nfs/dbraw/zinc/55/79/75/502557975.db2.gz SAOHAPCSBRCNIO-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396950 502557979 /nfs/dbraw/zinc/55/79/79/502557979.db2.gz SAOHAPCSBRCNIO-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894080 502559151 /nfs/dbraw/zinc/55/91/51/502559151.db2.gz HOIJKVKNYJRVDH-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000466421342 502566583 /nfs/dbraw/zinc/56/65/83/502566583.db2.gz DGIDSIDAPKSWMG-CTNGQTDRSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000487922691 502568491 /nfs/dbraw/zinc/56/84/91/502568491.db2.gz XKQFXHNMPRLKEG-CTNGQTDRSA-N 2 1 357.542 3.404 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1-c1noc([C@@H]2C[N@@H+](C)C[C@H]2C)n1 ZINC000462824289 502587779 /nfs/dbraw/zinc/58/77/79/502587779.db2.gz DTWCBUJUZPYWPK-NVXWUHKLSA-N 2 1 358.486 3.122 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866752 502605186 /nfs/dbraw/zinc/60/51/86/502605186.db2.gz PKIQFMQMUXHTIG-DHIUTWEWSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866752 502605194 /nfs/dbraw/zinc/60/51/94/502605194.db2.gz PKIQFMQMUXHTIG-DHIUTWEWSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866752 502605200 /nfs/dbraw/zinc/60/52/00/502605200.db2.gz PKIQFMQMUXHTIG-DHIUTWEWSA-N 2 1 365.521 3.330 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462888605 502615773 /nfs/dbraw/zinc/61/57/73/502615773.db2.gz OVPIMXYMVLMAGD-GOSISDBHSA-N 2 1 365.477 3.019 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000469980144 502616763 /nfs/dbraw/zinc/61/67/63/502616763.db2.gz BEMMNICTZMTFLS-GIOGAUJUSA-N 2 1 364.505 3.196 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609546 502619179 /nfs/dbraw/zinc/61/91/79/502619179.db2.gz LPDNTNBEILAVCS-SJORKVTESA-N 2 1 367.559 3.363 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480607549 502619342 /nfs/dbraw/zinc/61/93/42/502619342.db2.gz IHXWHYZRTOSSTC-GOSISDBHSA-N 2 1 351.494 3.233 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000476989304 502644007 /nfs/dbraw/zinc/64/40/07/502644007.db2.gz MBKNEORUTNSIFG-CTNGQTDRSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@@H](C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCC1 ZINC000473579923 502644384 /nfs/dbraw/zinc/64/43/84/502644384.db2.gz YXGSODIUWPRUEG-BDTNDASRSA-N 2 1 369.553 3.087 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034914 502655492 /nfs/dbraw/zinc/65/54/92/502655492.db2.gz PWMVCQYYOGXBRE-WOJBJXKFSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000477034912 502655583 /nfs/dbraw/zinc/65/55/83/502655583.db2.gz PWMVCQYYOGXBRE-PMACEKPBSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000466806691 502687130 /nfs/dbraw/zinc/68/71/30/502687130.db2.gz NFMOSSMNYVABGE-OAQYLSRUSA-N 2 1 374.573 3.100 20 0 FGADMP Cc1ccc2nc(CSCC(=O)NC[C@H]3CCCC[N@H+]3C3CC3)cn2c1 ZINC000470173496 502693200 /nfs/dbraw/zinc/69/32/00/502693200.db2.gz LQSLHVKOPCQVFU-GOSISDBHSA-N 2 1 372.538 3.009 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893245 502699473 /nfs/dbraw/zinc/69/94/73/502699473.db2.gz CMLJYHWGNUIQSM-WIYYLYMNSA-N 2 1 357.542 3.326 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000480903347 502701225 /nfs/dbraw/zinc/70/12/25/502701225.db2.gz DFRMZIZSRKFLHZ-QFIPXVFZSA-N 2 1 365.521 3.220 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463161578 502709003 /nfs/dbraw/zinc/70/90/03/502709003.db2.gz NOJRSYCWJBJGFJ-MISYRCLQSA-N 2 1 367.541 3.359 20 0 FGADMP CC(C)c1nc2n(n1)C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)[C@H](C)C1)CC2 ZINC000463161578 502709007 /nfs/dbraw/zinc/70/90/07/502709007.db2.gz NOJRSYCWJBJGFJ-MISYRCLQSA-N 2 1 367.541 3.359 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CS[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420489 502711164 /nfs/dbraw/zinc/71/11/64/502711164.db2.gz WIJNITZAIGQTRB-PMACEKPBSA-N 2 1 361.599 3.444 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Oc1cccc(Cl)c1 ZINC000484729798 502723607 /nfs/dbraw/zinc/72/36/07/502723607.db2.gz NTXHOTITYXEIHK-NXWXRZEISA-N 2 1 352.906 3.244 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260271 502738833 /nfs/dbraw/zinc/73/88/33/502738833.db2.gz BTINZIMOXXJOMC-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000463262982 502740431 /nfs/dbraw/zinc/74/04/31/502740431.db2.gz BNNFLENKJAGAKG-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000463262982 502740435 /nfs/dbraw/zinc/74/04/35/502740435.db2.gz BNNFLENKJAGAKG-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H]1C ZINC000463262982 502740437 /nfs/dbraw/zinc/74/04/37/502740437.db2.gz BNNFLENKJAGAKG-YXYSEUPNSA-N 2 1 372.557 3.021 20 0 FGADMP COc1cccc2c(N3CCN(c4cc[nH+]cc4OC)CC3)cc(C)[nH+]c12 ZINC000481052107 502741323 /nfs/dbraw/zinc/74/13/23/502741323.db2.gz CJZVRNGHBZHMDX-UHFFFAOYSA-N 2 1 364.449 3.282 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000466979593 502745961 /nfs/dbraw/zinc/74/59/61/502745961.db2.gz SPKSCWFSWCUFTO-SFHVURJKSA-N 2 1 374.573 3.100 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000481137758 502763415 /nfs/dbraw/zinc/76/34/15/502763415.db2.gz HMCDLRWRCRXBDS-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000484890073 502765971 /nfs/dbraw/zinc/76/59/71/502765971.db2.gz FBLDKFZKVOLUSQ-BRSBDYLESA-N 2 1 364.555 3.170 20 0 FGADMP COc1ccccc1SC[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000484890076 502766483 /nfs/dbraw/zinc/76/64/83/502766483.db2.gz FBLDKFZKVOLUSQ-XMTFNYHQSA-N 2 1 364.555 3.170 20 0 FGADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188341 502777330 /nfs/dbraw/zinc/77/73/30/502777330.db2.gz HHFILUITAIDJPD-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188341 502777335 /nfs/dbraw/zinc/77/73/35/502777335.db2.gz HHFILUITAIDJPD-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCC1CCCCC1 ZINC000481188341 502777341 /nfs/dbraw/zinc/77/73/41/502777341.db2.gz HHFILUITAIDJPD-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000481187185 502777558 /nfs/dbraw/zinc/77/75/58/502777558.db2.gz FKPNARPFKTVTTO-ZVDOUQERSA-N 2 1 359.558 3.164 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919389 502777580 /nfs/dbraw/zinc/77/75/80/502777580.db2.gz LFKMOFCZRQEGQP-GOEBONIOSA-N 2 1 368.905 3.310 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919389 502777588 /nfs/dbraw/zinc/77/75/88/502777588.db2.gz LFKMOFCZRQEGQP-GOEBONIOSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919389 502777595 /nfs/dbraw/zinc/77/75/95/502777595.db2.gz LFKMOFCZRQEGQP-GOEBONIOSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@@H]1C ZINC000484919389 502777600 /nfs/dbraw/zinc/77/76/00/502777600.db2.gz LFKMOFCZRQEGQP-GOEBONIOSA-N 2 1 368.905 3.310 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000467133313 502797699 /nfs/dbraw/zinc/79/76/99/502797699.db2.gz HJQWYRZCKFNUJF-QGZVFWFLSA-N 2 1 354.498 3.415 20 0 FGADMP C([NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000474078139 502801528 /nfs/dbraw/zinc/80/15/28/502801528.db2.gz FXWKKBUVWHGNLB-HSALFYBXSA-N 2 1 350.547 3.206 20 0 FGADMP CC[C@@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343929 502891061 /nfs/dbraw/zinc/89/10/61/502891061.db2.gz NBXXNHRFWOFVPF-PZJWPPBQSA-N 2 1 359.558 3.445 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCOc2ccccc2Cl)CC1 ZINC000500936052 502895512 /nfs/dbraw/zinc/89/55/12/502895512.db2.gz GNTCEESEXSCWRB-UHFFFAOYSA-N 2 1 353.938 3.067 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c[nH]1 ZINC000509444165 502905633 /nfs/dbraw/zinc/90/56/33/502905633.db2.gz MFLRQWNDGOYSAT-LJQANCHMSA-N 2 1 355.482 3.192 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c[nH]1 ZINC000509444165 502905635 /nfs/dbraw/zinc/90/56/35/502905635.db2.gz MFLRQWNDGOYSAT-LJQANCHMSA-N 2 1 355.482 3.192 20 0 FGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1Br ZINC000500985928 502906250 /nfs/dbraw/zinc/90/62/50/502906250.db2.gz RQUHSYWOWSPPPQ-UHFFFAOYSA-N 2 1 368.363 3.215 20 0 FGADMP C[N@H+](CC(=O)Nc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046358 502921151 /nfs/dbraw/zinc/92/11/51/502921151.db2.gz APVATUNRHKFILG-UHFFFAOYSA-N 2 1 356.445 3.008 20 0 FGADMP COc1ccccc1OCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501046794 502921342 /nfs/dbraw/zinc/92/13/42/502921342.db2.gz NCKWAZWIMGFSOL-UHFFFAOYSA-N 2 1 355.482 3.317 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501054755 502922982 /nfs/dbraw/zinc/92/29/82/502922982.db2.gz VBGWNIADWICTEV-DBXWQHBBSA-N 2 1 372.557 3.313 20 0 FGADMP C[N@H+](Cc1ccc2c(c1)OCCO2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501056083 502923782 /nfs/dbraw/zinc/92/37/82/502923782.db2.gz VKNLBTGATOTSNP-UHFFFAOYSA-N 2 1 353.466 3.201 20 0 FGADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501063281 502925407 /nfs/dbraw/zinc/92/54/07/502925407.db2.gz NFLCHDZYVHHQRX-GOSISDBHSA-N 2 1 366.509 3.281 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513510938 502956478 /nfs/dbraw/zinc/95/64/78/502956478.db2.gz GRGNBZWIXGDAPU-GHTZIAJQSA-N 2 1 365.521 3.437 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000513667598 502995157 /nfs/dbraw/zinc/99/51/57/502995157.db2.gz SMFQEXZLOYNPLV-BRSBDYLESA-N 2 1 356.432 3.190 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513673507 502997344 /nfs/dbraw/zinc/99/73/44/502997344.db2.gz SMDFSZILBPXABR-ULQDDVLXSA-N 2 1 353.304 3.290 20 0 FGADMP C[N@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000501456297 503013289 /nfs/dbraw/zinc/01/32/89/503013289.db2.gz SXVRYZSQBZZWQT-IBGZPJMESA-N 2 1 363.933 3.468 20 0 FGADMP C[N@@H+](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)C1CCCC1 ZINC000501456297 503013294 /nfs/dbraw/zinc/01/32/94/503013294.db2.gz SXVRYZSQBZZWQT-IBGZPJMESA-N 2 1 363.933 3.468 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[NH+]2CCCC2)cc1 ZINC000513760204 503017530 /nfs/dbraw/zinc/01/75/30/503017530.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760204 503017534 /nfs/dbraw/zinc/01/75/34/503017534.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)N2CCCC2)cc1 ZINC000513760204 503017538 /nfs/dbraw/zinc/01/75/38/503017538.db2.gz ILWAKTFCJHZHDB-CZYKHXBRSA-N 2 1 357.542 3.295 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000501533222 503031084 /nfs/dbraw/zinc/03/10/84/503031084.db2.gz IOIRDLURYAQZKZ-VNTMZGSJSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000501533222 503031088 /nfs/dbraw/zinc/03/10/88/503031088.db2.gz IOIRDLURYAQZKZ-VNTMZGSJSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCCC[C@@H]1C ZINC000501533604 503032144 /nfs/dbraw/zinc/03/21/44/503032144.db2.gz SAMRWYPAJUXSTI-OALUTQOASA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCC[NH+]1CCCCC1 ZINC000489861512 503051221 /nfs/dbraw/zinc/05/12/21/503051221.db2.gz OJZZYGKEWVDAKL-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000489886890 503057070 /nfs/dbraw/zinc/05/70/70/503057070.db2.gz PMDSXTSIPVGDRV-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000489886890 503057073 /nfs/dbraw/zinc/05/70/73/503057073.db2.gz PMDSXTSIPVGDRV-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000489886890 503057077 /nfs/dbraw/zinc/05/70/77/503057077.db2.gz PMDSXTSIPVGDRV-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000501773180 503077204 /nfs/dbraw/zinc/07/72/04/503077204.db2.gz GPMDLEXDZROSKW-UHFFFAOYSA-N 2 1 367.559 3.191 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260144 503080897 /nfs/dbraw/zinc/08/08/97/503080897.db2.gz RRMPVNCOSCPJDJ-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260144 503080899 /nfs/dbraw/zinc/08/08/99/503080899.db2.gz RRMPVNCOSCPJDJ-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260144 503080902 /nfs/dbraw/zinc/08/09/02/503080902.db2.gz RRMPVNCOSCPJDJ-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000514122755 503093559 /nfs/dbraw/zinc/09/35/59/503093559.db2.gz NRJWLGBBIKMABX-UAFMIMERSA-N 2 1 366.594 3.164 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514133889 503095483 /nfs/dbraw/zinc/09/54/83/503095483.db2.gz DUTDSLFGRPKKTN-PZJWPPBQSA-N 2 1 374.573 3.409 20 0 FGADMP FC(F)(F)c1ccn(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)n1 ZINC000490091209 503107864 /nfs/dbraw/zinc/10/78/64/503107864.db2.gz WGFQRYADYBEUIU-SFHVURJKSA-N 2 1 364.415 3.467 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)NC[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000514245434 503124183 /nfs/dbraw/zinc/12/41/83/503124183.db2.gz XRCVGHZESMSSGR-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000514245434 503124186 /nfs/dbraw/zinc/12/41/86/503124186.db2.gz XRCVGHZESMSSGR-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000514245434 503124192 /nfs/dbraw/zinc/12/41/92/503124192.db2.gz XRCVGHZESMSSGR-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000510980978 503229151 /nfs/dbraw/zinc/22/91/51/503229151.db2.gz RGRTXMSXHGGRQZ-BHDDXSALSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000510980978 503229155 /nfs/dbraw/zinc/22/91/55/503229155.db2.gz RGRTXMSXHGGRQZ-BHDDXSALSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000510980978 503229158 /nfs/dbraw/zinc/22/91/58/503229158.db2.gz RGRTXMSXHGGRQZ-BHDDXSALSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)n2)cc1F ZINC000514938509 503231937 /nfs/dbraw/zinc/23/19/37/503231937.db2.gz HGGHZYHZXPSWEZ-VHSSKADRSA-N 2 1 374.460 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491023196 503261831 /nfs/dbraw/zinc/26/18/31/503261831.db2.gz URSZMMCTIZZHTD-XXBNENTESA-N 2 1 367.537 3.176 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056034 503266859 /nfs/dbraw/zinc/26/68/59/503266859.db2.gz BBJLKJDDQMBRPT-YADHBBJMSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056034 503266861 /nfs/dbraw/zinc/26/68/61/503266861.db2.gz BBJLKJDDQMBRPT-YADHBBJMSA-N 2 1 365.521 3.261 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000502797496 503274833 /nfs/dbraw/zinc/27/48/33/503274833.db2.gz YMNMAOJZTNEEGV-ZWKOTPCHSA-N 2 1 372.557 3.432 20 0 FGADMP COc1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)n1 ZINC000515129167 503276583 /nfs/dbraw/zinc/27/65/83/503276583.db2.gz XUEWNKKADGXMEZ-XUVXKRRUSA-N 2 1 352.482 3.018 20 0 FGADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccsc21 ZINC000491197624 503284841 /nfs/dbraw/zinc/28/48/41/503284841.db2.gz FJBXCTTXKARQCE-HXUWFJFHSA-N 2 1 353.491 3.370 20 0 FGADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c2ccsc21 ZINC000491197624 503284847 /nfs/dbraw/zinc/28/48/47/503284847.db2.gz FJBXCTTXKARQCE-HXUWFJFHSA-N 2 1 353.491 3.370 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000491448286 503308435 /nfs/dbraw/zinc/30/84/35/503308435.db2.gz SMULSTFYLFCUSE-QFIPXVFZSA-N 2 1 363.505 3.111 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000491448286 503308439 /nfs/dbraw/zinc/30/84/39/503308439.db2.gz SMULSTFYLFCUSE-QFIPXVFZSA-N 2 1 363.505 3.111 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000515352496 503321595 /nfs/dbraw/zinc/32/15/95/503321595.db2.gz FIJLJRRGCCULDS-FQEVSTJZSA-N 2 1 371.500 3.085 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000515352496 503321597 /nfs/dbraw/zinc/32/15/97/503321597.db2.gz FIJLJRRGCCULDS-FQEVSTJZSA-N 2 1 371.500 3.085 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000515352496 503321600 /nfs/dbraw/zinc/32/16/00/503321600.db2.gz FIJLJRRGCCULDS-FQEVSTJZSA-N 2 1 371.500 3.085 20 0 FGADMP O[C@H](C[NH2+][C@@H](c1cccc(OC(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000511580192 503347703 /nfs/dbraw/zinc/34/77/03/503347703.db2.gz WPJZGKJAQNRVGB-NVXWUHKLSA-N 2 1 358.404 3.083 20 0 FGADMP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000507757144 503361084 /nfs/dbraw/zinc/36/10/84/503361084.db2.gz IXPSZENJJULUEW-GOSISDBHSA-N 2 1 353.510 3.387 20 0 FGADMP CCOc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)cc1 ZINC000515677261 503384139 /nfs/dbraw/zinc/38/41/39/503384139.db2.gz SBNRMLXQGXQYCZ-DFNIBXOVSA-N 2 1 362.514 3.038 20 0 FGADMP CCOc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000515677261 503384142 /nfs/dbraw/zinc/38/41/42/503384142.db2.gz SBNRMLXQGXQYCZ-DFNIBXOVSA-N 2 1 362.514 3.038 20 0 FGADMP CCOc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc1 ZINC000515677261 503384146 /nfs/dbraw/zinc/38/41/46/503384146.db2.gz SBNRMLXQGXQYCZ-DFNIBXOVSA-N 2 1 362.514 3.038 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390458 503399658 /nfs/dbraw/zinc/39/96/58/503399658.db2.gz LTOJHBJAWWLAGC-LZLYRXPVSA-N 2 1 364.534 3.128 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000511855843 503401491 /nfs/dbraw/zinc/40/14/91/503401491.db2.gz RCYNHHYOIGWRFM-YPAWHYETSA-N 2 1 369.553 3.244 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1Cl ZINC000499505802 503420987 /nfs/dbraw/zinc/42/09/87/503420987.db2.gz CZPAWGQZMMVUCR-HNNXBMFYSA-N 2 1 372.340 3.482 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NCc1ncc(C[NH+](C)C)s1 ZINC000512030052 503438578 /nfs/dbraw/zinc/43/85/78/503438578.db2.gz GSUHPTFFLBNHOI-IRXDYDNUSA-N 2 1 372.582 3.451 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000508145740 503440988 /nfs/dbraw/zinc/44/09/88/503440988.db2.gz ATBLFXQRKUHFGP-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000499660084 503452059 /nfs/dbraw/zinc/45/20/59/503452059.db2.gz PBIWQPHVOKDGDJ-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660084 503452061 /nfs/dbraw/zinc/45/20/61/503452061.db2.gz PBIWQPHVOKDGDJ-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000499660084 503452063 /nfs/dbraw/zinc/45/20/63/503452063.db2.gz PBIWQPHVOKDGDJ-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP Cc1cc(C[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)n(-c2ccccc2)n1 ZINC000512082989 503453154 /nfs/dbraw/zinc/45/31/54/503453154.db2.gz NNXNVAPLTJVQEK-OAHLLOKOSA-N 2 1 369.538 3.420 20 0 FGADMP CN1C(=O)C[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000493887561 503453369 /nfs/dbraw/zinc/45/33/69/503453369.db2.gz FTJPTUIZFKXWIT-HKUYNNGSSA-N 2 1 367.896 3.217 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935211 503461338 /nfs/dbraw/zinc/46/13/38/503461338.db2.gz HSAIJMIJOYPOCK-AVRDEDQJSA-N 2 1 366.505 3.391 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935211 503461341 /nfs/dbraw/zinc/46/13/41/503461341.db2.gz HSAIJMIJOYPOCK-AVRDEDQJSA-N 2 1 366.505 3.391 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000493951945 503465479 /nfs/dbraw/zinc/46/54/79/503465479.db2.gz FYTPDYFYPDVXSH-GCJKJVERSA-N 2 1 354.494 3.385 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cc(Cl)ccc3o2)CC1 ZINC000516207698 503470106 /nfs/dbraw/zinc/47/01/06/503470106.db2.gz BHBSKCVOPDGYFN-UHFFFAOYSA-N 2 1 370.840 3.485 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c(OC)c2C)[C@@H](C)C1 ZINC000516209687 503471681 /nfs/dbraw/zinc/47/16/81/503471681.db2.gz IUCAFRICKMXYOP-QFBILLFUSA-N 2 1 364.530 3.239 20 0 FGADMP CC[NH+]1CCN(C(=O)NCC(CC)(CC)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000503796712 503472957 /nfs/dbraw/zinc/47/29/57/503472957.db2.gz URHIQUDRJUBJAC-SFHVURJKSA-N 2 1 360.546 3.243 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000503905573 503486372 /nfs/dbraw/zinc/48/63/72/503486372.db2.gz CCYNAJYRFPMCGB-IBGZPJMESA-N 2 1 362.562 3.267 20 0 FGADMP O[C@H](COc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244433 503496322 /nfs/dbraw/zinc/49/63/22/503496322.db2.gz ODRYTFMXMJVLHG-JTHBVZDNSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@H](COc1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244433 503496328 /nfs/dbraw/zinc/49/63/28/503496328.db2.gz ODRYTFMXMJVLHG-JTHBVZDNSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@H](COc1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244433 503496335 /nfs/dbraw/zinc/49/63/35/503496335.db2.gz ODRYTFMXMJVLHG-JTHBVZDNSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@H](COc1ccccc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244433 503496339 /nfs/dbraw/zinc/49/63/39/503496339.db2.gz ODRYTFMXMJVLHG-JTHBVZDNSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244430 503496628 /nfs/dbraw/zinc/49/66/28/503496628.db2.gz ODRYTFMXMJVLHG-FYYLOGMGSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000512244430 503496632 /nfs/dbraw/zinc/49/66/32/503496632.db2.gz ODRYTFMXMJVLHG-FYYLOGMGSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000512244430 503496636 /nfs/dbraw/zinc/49/66/36/503496636.db2.gz ODRYTFMXMJVLHG-FYYLOGMGSA-N 2 1 366.505 3.024 20 0 FGADMP O[C@@H](COc1ccccc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000512244430 503496638 /nfs/dbraw/zinc/49/66/38/503496638.db2.gz ODRYTFMXMJVLHG-FYYLOGMGSA-N 2 1 366.505 3.024 20 0 FGADMP CC(C)[C@](C)([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515470 503524925 /nfs/dbraw/zinc/52/49/25/503524925.db2.gz SYMCWQICEFYXIE-ROUUACIJSA-N 2 1 369.347 3.365 20 0 FGADMP CC(C)[C@](C)([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000516515470 503524930 /nfs/dbraw/zinc/52/49/30/503524930.db2.gz SYMCWQICEFYXIE-ROUUACIJSA-N 2 1 369.347 3.365 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693742 503544825 /nfs/dbraw/zinc/54/48/25/503544825.db2.gz BJQXSLDCWAVDJZ-UGKGYDQZSA-N 2 1 365.521 3.225 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422850 503545578 /nfs/dbraw/zinc/54/55/78/503545578.db2.gz BEGCAIAJHJZCPF-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C)CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422850 503545580 /nfs/dbraw/zinc/54/55/80/503545580.db2.gz BEGCAIAJHJZCPF-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C)CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422850 503545583 /nfs/dbraw/zinc/54/55/83/503545583.db2.gz BEGCAIAJHJZCPF-SFHLNBCPSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000500103500 503554820 /nfs/dbraw/zinc/55/48/20/503554820.db2.gz TVVAGYZLDZZTSY-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000500103500 503554821 /nfs/dbraw/zinc/55/48/21/503554821.db2.gz TVVAGYZLDZZTSY-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCC1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504324422 503556308 /nfs/dbraw/zinc/55/63/08/503556308.db2.gz LCHVJACXGXFRBU-LEWJYISDSA-N 2 1 370.541 3.099 20 0 FGADMP c1ccc(C(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c2ccccc2)cc1 ZINC000508758409 503559818 /nfs/dbraw/zinc/55/98/18/503559818.db2.gz QUESPWYRYXCEQR-FQEVSTJZSA-N 2 1 350.506 3.473 20 0 FGADMP CCC[C@@H]1CN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000516660810 503563401 /nfs/dbraw/zinc/56/34/01/503563401.db2.gz CLCALZWKSGZJJY-FXAWDEMLSA-N 2 1 354.498 3.101 20 0 FGADMP FC(F)(F)c1cccc(CCCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000504424989 503572217 /nfs/dbraw/zinc/57/22/17/503572217.db2.gz VZCMDXBEYPBWTO-SFHVURJKSA-N 2 1 355.448 3.008 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000516700463 503573012 /nfs/dbraw/zinc/57/30/12/503573012.db2.gz KXGSVFFVOIQKSA-DSKINZAPSA-N 2 1 373.566 3.402 20 0 FGADMP C[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)Cc1ccccc1 ZINC000516713747 503574852 /nfs/dbraw/zinc/57/48/52/503574852.db2.gz IVWHSVZAIUAUCA-UHFFFAOYSA-N 2 1 351.494 3.144 20 0 FGADMP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000494638108 503579798 /nfs/dbraw/zinc/57/97/98/503579798.db2.gz OXUWGTUJRGNDSM-IRLDBZIGSA-N 2 1 355.526 3.033 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000494638110 503580400 /nfs/dbraw/zinc/58/04/00/503580400.db2.gz OXUWGTUJRGNDSM-RBBKRZOGSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494686941 503592343 /nfs/dbraw/zinc/59/23/43/503592343.db2.gz PNAMOMLCUWUAAD-LVCYWYKZSA-N 2 1 357.542 3.313 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)[C@H](C)C1 ZINC000508917602 503599688 /nfs/dbraw/zinc/59/96/88/503599688.db2.gz IBRNPKMCUWFOED-QCFAMHMHSA-N 2 1 374.573 3.358 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000494746785 503603391 /nfs/dbraw/zinc/60/33/91/503603391.db2.gz QMLNJCPQVDVBDE-KOENEWCDSA-N 2 1 366.505 3.091 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C[C@@H]1C ZINC000512713180 503619086 /nfs/dbraw/zinc/61/90/86/503619086.db2.gz XOWBBCMTOVVZNU-DMUMMCEESA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C[C@@H]1C ZINC000512713180 503619090 /nfs/dbraw/zinc/61/90/90/503619090.db2.gz XOWBBCMTOVVZNU-DMUMMCEESA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C[C@@H]1C ZINC000512713180 503619094 /nfs/dbraw/zinc/61/90/94/503619094.db2.gz XOWBBCMTOVVZNU-DMUMMCEESA-N 2 1 364.578 3.154 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+](Cc2csc3ccccc23)CC1 ZINC000512812798 503638538 /nfs/dbraw/zinc/63/85/38/503638538.db2.gz ZFMUYELBJSROQD-UHFFFAOYSA-N 2 1 362.539 3.461 20 0 FGADMP c1ccc(N2CCO[C@@H](C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038869 503649495 /nfs/dbraw/zinc/64/94/95/503649495.db2.gz PWSKNRLETFYSHU-GGAORHGYSA-N 2 1 371.569 3.480 20 0 FGADMP c1ccc(N2CCO[C@@H](C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038869 503649497 /nfs/dbraw/zinc/64/94/97/503649497.db2.gz PWSKNRLETFYSHU-GGAORHGYSA-N 2 1 371.569 3.480 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000517148993 503656527 /nfs/dbraw/zinc/65/65/27/503656527.db2.gz NVAJRTRVFGJMOA-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495108953 503670519 /nfs/dbraw/zinc/67/05/19/503670519.db2.gz NNQJFHQEYZOHNB-RBBKRZOGSA-N 2 1 352.526 3.383 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000495108953 503670524 /nfs/dbraw/zinc/67/05/24/503670524.db2.gz NNQJFHQEYZOHNB-RBBKRZOGSA-N 2 1 352.526 3.383 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000529719308 503678663 /nfs/dbraw/zinc/67/86/63/503678663.db2.gz XDDGRQMIXUHDFM-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529719308 503678668 /nfs/dbraw/zinc/67/86/68/503678668.db2.gz XDDGRQMIXUHDFM-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000529719308 503678675 /nfs/dbraw/zinc/67/86/75/503678675.db2.gz XDDGRQMIXUHDFM-TZIWHRDSSA-N 2 1 355.526 3.032 20 0 FGADMP CC[C@H](O)[C@@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990409 503691579 /nfs/dbraw/zinc/69/15/79/503691579.db2.gz CVHNEGVOJJPVBD-TUFLPTIASA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000517366680 503727183 /nfs/dbraw/zinc/72/71/83/503727183.db2.gz NZWCKCYGJSSPBE-NENHHDIKSA-N 2 1 357.542 3.167 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4cccc(C)c43)CC2)CC1 ZINC000517391227 503733142 /nfs/dbraw/zinc/73/31/42/503733142.db2.gz LHTDGKIVFABENM-UHFFFAOYSA-N 2 1 355.526 3.080 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000536855924 503742283 /nfs/dbraw/zinc/74/22/83/503742283.db2.gz CHLIEBUOTZTZQB-IXDOHACOSA-N 2 1 373.541 3.456 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C/C=C\c3ccccc3)c2)C1 ZINC000517453164 503749847 /nfs/dbraw/zinc/74/98/47/503749847.db2.gz YIKOSLRTRRDWAN-HRCHSMGBSA-N 2 1 363.505 3.187 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000543396471 503753502 /nfs/dbraw/zinc/75/35/02/503753502.db2.gz HGVWKIJJOXEJDB-GOSISDBHSA-N 2 1 361.493 3.282 20 0 FGADMP Cc1cc([C@@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000543405293 503757684 /nfs/dbraw/zinc/75/76/84/503757684.db2.gz WIALRBMCUGYLFY-JOCHJYFZSA-N 2 1 370.516 3.236 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCc3ccccc3)CC2)C[C@H](C)O1 ZINC000536933715 503765161 /nfs/dbraw/zinc/76/51/61/503765161.db2.gz JWLQPXAKRVVMNS-PMACEKPBSA-N 2 1 360.542 3.209 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)CCC3)cc1 ZINC000546575398 503793577 /nfs/dbraw/zinc/79/35/77/503793577.db2.gz PXSUMGNLFWNLNV-OXJNMPFZSA-N 2 1 357.523 3.152 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)CCC3)cc1 ZINC000546575398 503793585 /nfs/dbraw/zinc/79/35/85/503793585.db2.gz PXSUMGNLFWNLNV-OXJNMPFZSA-N 2 1 357.523 3.152 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000517740752 503823695 /nfs/dbraw/zinc/82/36/95/503823695.db2.gz UDKILFNUKSPVKV-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1C[N@@H+](CC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000546653692 503825635 /nfs/dbraw/zinc/82/56/35/503825635.db2.gz FKOZNARIEXPXRT-OKILXGFUSA-N 2 1 368.319 3.170 20 0 FGADMP C[C@@H]1C[N@H+](CC2CCN(c3cc[nH+]cc3Br)CC2)C[C@H](C)O1 ZINC000546653692 503825640 /nfs/dbraw/zinc/82/56/40/503825640.db2.gz FKOZNARIEXPXRT-OKILXGFUSA-N 2 1 368.319 3.170 20 0 FGADMP C[C@H](c1ccc(-c2cccc(C[NH+](C)C)c2)cc1)N1CC[NH+](CCO)CC1 ZINC000527587558 503843877 /nfs/dbraw/zinc/84/38/77/503843877.db2.gz LGKLLGISDXMWJH-LJQANCHMSA-N 2 1 367.537 3.086 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[NH+]2CCCC2)o1 ZINC000517814460 503844696 /nfs/dbraw/zinc/84/46/96/503844696.db2.gz QEYCEIUCEIIXLY-AZUAARDMSA-N 2 1 361.530 3.352 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000517887973 503858333 /nfs/dbraw/zinc/85/83/33/503858333.db2.gz MUTYBTUTBOIHLO-GUDVDZBRSA-N 2 1 366.594 3.163 20 0 FGADMP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000517932699 503870734 /nfs/dbraw/zinc/87/07/34/503870734.db2.gz UKBWKHGLQHLIKD-KRWDZBQOSA-N 2 1 372.340 3.447 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(OC(F)F)c3)CC2)CC1 ZINC000533537326 503880110 /nfs/dbraw/zinc/88/01/10/503880110.db2.gz RZDKGFNOVMVTCU-UHFFFAOYSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000546795998 503881516 /nfs/dbraw/zinc/88/15/16/503881516.db2.gz IEKSACMDMYYYQV-MRXNPFEDSA-N 2 1 368.481 3.121 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3c[nH+]ccc3N(C)C)cc2)C1 ZINC000546795998 503881520 /nfs/dbraw/zinc/88/15/20/503881520.db2.gz IEKSACMDMYYYQV-MRXNPFEDSA-N 2 1 368.481 3.121 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1Cc1ccccc1 ZINC000546855937 503903718 /nfs/dbraw/zinc/90/37/18/503903718.db2.gz NIOCGAFGXSZTPK-HKUYNNGSSA-N 2 1 366.509 3.178 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCc4cc(F)ccc43)CC2)CC1 ZINC000518214709 503929641 /nfs/dbraw/zinc/92/96/41/503929641.db2.gz YZEQIXNIGNAUSJ-UHFFFAOYSA-N 2 1 373.516 3.301 20 0 FGADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000527762850 503931953 /nfs/dbraw/zinc/93/19/53/503931953.db2.gz NPNDESCDCJAYCI-LJQANCHMSA-N 2 1 361.917 3.047 20 0 FGADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000527762850 503931958 /nfs/dbraw/zinc/93/19/58/503931958.db2.gz NPNDESCDCJAYCI-LJQANCHMSA-N 2 1 361.917 3.047 20 0 FGADMP Oc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000518262704 503939244 /nfs/dbraw/zinc/93/92/44/503939244.db2.gz WAYVITDQQDBYQW-ZWKOTPCHSA-N 2 1 372.431 3.269 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000518402559 503975151 /nfs/dbraw/zinc/97/51/51/503975151.db2.gz HDXUKTPASHZSQY-NSHGMRRFSA-N 2 1 374.573 3.345 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518460443 503991450 /nfs/dbraw/zinc/99/14/50/503991450.db2.gz DIXSORFAXOJXJX-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518460443 503991457 /nfs/dbraw/zinc/99/14/57/503991457.db2.gz DIXSORFAXOJXJX-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518460443 503991463 /nfs/dbraw/zinc/99/14/63/503991463.db2.gz DIXSORFAXOJXJX-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950030 504012636 /nfs/dbraw/zinc/01/26/36/504012636.db2.gz OUOMJJSSXBQEJY-TYPHKJRUSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950030 504012640 /nfs/dbraw/zinc/01/26/40/504012640.db2.gz OUOMJJSSXBQEJY-TYPHKJRUSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950030 504012647 /nfs/dbraw/zinc/01/26/47/504012647.db2.gz OUOMJJSSXBQEJY-TYPHKJRUSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000518593128 504022885 /nfs/dbraw/zinc/02/28/85/504022885.db2.gz ZVGHPAPGGWYHBM-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000530627326 504032553 /nfs/dbraw/zinc/03/25/53/504032553.db2.gz SPOKGOJYXUBEKS-KRWDZBQOSA-N 2 1 355.320 3.382 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@H](c2ccc(OC)cc2)C2CC2)C[C@@H]1C ZINC000530662413 504043030 /nfs/dbraw/zinc/04/30/30/504043030.db2.gz ZYHKVRVNGGRIFT-BPXKWBHBSA-N 2 1 373.541 3.067 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198605 504045002 /nfs/dbraw/zinc/04/50/02/504045002.db2.gz PUROTBXHHWHBIF-MJGOQNOKSA-N 2 1 372.557 3.484 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000537952497 504093229 /nfs/dbraw/zinc/09/32/29/504093229.db2.gz IDIWRWDVNMLYDT-AVRDEDQJSA-N 2 1 370.541 3.314 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000547421163 504098412 /nfs/dbraw/zinc/09/84/12/504098412.db2.gz XWFXWINOUKONOM-FGTMMUONSA-N 2 1 371.525 3.019 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863888 504111689 /nfs/dbraw/zinc/11/16/89/504111689.db2.gz NEAMWBIPNNOFBF-SIKLNZKXSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863888 504111694 /nfs/dbraw/zinc/11/16/94/504111694.db2.gz NEAMWBIPNNOFBF-SIKLNZKXSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863888 504111700 /nfs/dbraw/zinc/11/17/00/504111700.db2.gz NEAMWBIPNNOFBF-SIKLNZKXSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc3ccccc3c2)C1 ZINC000530863888 504111706 /nfs/dbraw/zinc/11/17/06/504111706.db2.gz NEAMWBIPNNOFBF-SIKLNZKXSA-N 2 1 368.521 3.243 20 0 FGADMP Cc1cc(C)cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000538043479 504122387 /nfs/dbraw/zinc/12/23/87/504122387.db2.gz RWYQQGHSNHXKEM-PMACEKPBSA-N 2 1 360.542 3.394 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000519078355 504133770 /nfs/dbraw/zinc/13/37/70/504133770.db2.gz OMJVULDRONTKNV-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000528285443 504147377 /nfs/dbraw/zinc/14/73/77/504147377.db2.gz JCXHYIJCWKSVEY-OAQYLSRUSA-N 2 1 372.557 3.297 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000538192944 504157222 /nfs/dbraw/zinc/15/72/22/504157222.db2.gz LPLUJUMCVNBCDI-CQSZACIVSA-N 2 1 353.869 3.048 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204726 504164680 /nfs/dbraw/zinc/16/46/80/504164680.db2.gz AFLJWNWGADLKSO-QZTJIDSGSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)[N@H+](C)C1CC1 ZINC000519204726 504164685 /nfs/dbraw/zinc/16/46/85/504164685.db2.gz AFLJWNWGADLKSO-QZTJIDSGSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@H]2C)cc1)[N@@H+](C)C1CC1 ZINC000519204726 504164689 /nfs/dbraw/zinc/16/46/89/504164689.db2.gz AFLJWNWGADLKSO-QZTJIDSGSA-N 2 1 372.557 3.343 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542754 504170473 /nfs/dbraw/zinc/17/04/73/504170473.db2.gz DEVMTXRDFFUSPR-LEWJYISDSA-N 2 1 357.473 3.137 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cscc2s1 ZINC000528335705 504174627 /nfs/dbraw/zinc/17/46/27/504174627.db2.gz OICQRFJUTRPCNA-OAHLLOKOSA-N 2 1 365.568 3.451 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276013 504185140 /nfs/dbraw/zinc/18/51/40/504185140.db2.gz MFCQKGFZCATSIY-UYAOXDASSA-N 2 1 357.542 3.296 20 0 FGADMP C[C@@H]1CCCN(CC[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)C1 ZINC000538276013 504185145 /nfs/dbraw/zinc/18/51/45/504185145.db2.gz MFCQKGFZCATSIY-UYAOXDASSA-N 2 1 357.542 3.296 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139524 504202093 /nfs/dbraw/zinc/20/20/93/504202093.db2.gz CBLKDEFQCJWYFC-SZMVWBNQSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139524 504202098 /nfs/dbraw/zinc/20/20/98/504202098.db2.gz CBLKDEFQCJWYFC-SZMVWBNQSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COCc2ccccc2Cl)C[C@@H]1C ZINC000531139524 504202103 /nfs/dbraw/zinc/20/21/03/504202103.db2.gz CBLKDEFQCJWYFC-SZMVWBNQSA-N 2 1 354.922 3.022 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000528423236 504218623 /nfs/dbraw/zinc/21/86/23/504218623.db2.gz MFWKQUUBUOMIRH-FGZHOGPDSA-N 2 1 371.569 3.335 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000534721170 504224003 /nfs/dbraw/zinc/22/40/03/504224003.db2.gz KRGBQOZHLIZBFS-SFTDATJTSA-N 2 1 372.557 3.195 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707401 504227936 /nfs/dbraw/zinc/22/79/36/504227936.db2.gz PLOAXYXUAWKZSG-KCZVDYSFSA-N 2 1 360.542 3.461 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)[C@]12CCCO2 ZINC000544707401 504227938 /nfs/dbraw/zinc/22/79/38/504227938.db2.gz PLOAXYXUAWKZSG-KCZVDYSFSA-N 2 1 360.542 3.461 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476297 504229542 /nfs/dbraw/zinc/22/95/42/504229542.db2.gz FBXVZQDNYZNILQ-UIFIKXQLSA-N 2 1 351.494 3.241 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476297 504229549 /nfs/dbraw/zinc/22/95/49/504229549.db2.gz FBXVZQDNYZNILQ-UIFIKXQLSA-N 2 1 351.494 3.241 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C12CCCC2 ZINC000538398022 504234486 /nfs/dbraw/zinc/23/44/86/504234486.db2.gz AVKMSFGGGZWCPQ-FGZHOGPDSA-N 2 1 371.569 3.261 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000519618192 504274867 /nfs/dbraw/zinc/27/48/67/504274867.db2.gz XRCRELDYWUGAHR-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000519618192 504274871 /nfs/dbraw/zinc/27/48/71/504274871.db2.gz XRCRELDYWUGAHR-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000519618192 504274874 /nfs/dbraw/zinc/27/48/74/504274874.db2.gz XRCRELDYWUGAHR-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000531381566 504287641 /nfs/dbraw/zinc/28/76/41/504287641.db2.gz LILGJKKVRLDQBY-FQEVSTJZSA-N 2 1 362.558 3.448 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000531381566 504287648 /nfs/dbraw/zinc/28/76/48/504287648.db2.gz LILGJKKVRLDQBY-FQEVSTJZSA-N 2 1 362.558 3.448 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541895446 504294156 /nfs/dbraw/zinc/29/41/56/504294156.db2.gz VUMDTNLKUGVXCO-FVJLSDCUSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000541895446 504294163 /nfs/dbraw/zinc/29/41/63/504294163.db2.gz VUMDTNLKUGVXCO-FVJLSDCUSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541895446 504294168 /nfs/dbraw/zinc/29/41/68/504294168.db2.gz VUMDTNLKUGVXCO-FVJLSDCUSA-N 2 1 370.541 3.125 20 0 FGADMP C[C@H](NC(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000541895446 504294174 /nfs/dbraw/zinc/29/41/74/504294174.db2.gz VUMDTNLKUGVXCO-FVJLSDCUSA-N 2 1 370.541 3.125 20 0 FGADMP C(C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000538629049 504310112 /nfs/dbraw/zinc/31/01/12/504310112.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629049 504310118 /nfs/dbraw/zinc/31/01/18/504310118.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP C(C[NH+]1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000538629049 504310120 /nfs/dbraw/zinc/31/01/20/504310120.db2.gz WYJBWCFJODTWJP-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013336 504313072 /nfs/dbraw/zinc/31/30/72/504313072.db2.gz YQKQMLYIASTUEH-XLIONFOSSA-N 2 1 365.949 3.067 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528657037 504316887 /nfs/dbraw/zinc/31/68/87/504316887.db2.gz QOGKVXKAYRXDQB-AYWYSENESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528657037 504316891 /nfs/dbraw/zinc/31/68/91/504316891.db2.gz QOGKVXKAYRXDQB-AYWYSENESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528657037 504316894 /nfs/dbraw/zinc/31/68/94/504316894.db2.gz QOGKVXKAYRXDQB-AYWYSENESA-N 2 1 357.542 3.134 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000541977535 504320473 /nfs/dbraw/zinc/32/04/73/504320473.db2.gz SFEZONWQAFILKX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1)C1CC1 ZINC000531491393 504327028 /nfs/dbraw/zinc/32/70/28/504327028.db2.gz UUJBACXWRBOUHC-UHFFFAOYSA-N 2 1 366.509 3.028 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCCNc2ccc(C)c[nH+]2)cc1)C1CC1 ZINC000531491393 504327032 /nfs/dbraw/zinc/32/70/32/504327032.db2.gz UUJBACXWRBOUHC-UHFFFAOYSA-N 2 1 366.509 3.028 20 0 FGADMP C[C@H]([NH2+]CC1(C(=O)N(C)C)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548156425 504350574 /nfs/dbraw/zinc/35/05/74/504350574.db2.gz ILUGMSKRNYBQJD-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(C)c2)C1 ZINC000538749645 504357335 /nfs/dbraw/zinc/35/73/35/504357335.db2.gz YYPRSGXKWXUVOY-FQEVSTJZSA-N 2 1 356.514 3.318 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)NC[C@H]3CCC[N@@H+](C)C3)c2)CC1 ZINC000538773326 504365104 /nfs/dbraw/zinc/36/51/04/504365104.db2.gz JBKNCNNAQSDCIC-HXUWFJFHSA-N 2 1 372.557 3.424 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1sccc1Br ZINC000531704198 504398033 /nfs/dbraw/zinc/39/80/33/504398033.db2.gz UQGNZWTWXOOUCS-ZDUSSCGKSA-N 2 1 360.365 3.189 20 0 FGADMP Cc1oc2ccccc2c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000545216202 504401564 /nfs/dbraw/zinc/40/15/64/504401564.db2.gz NHFFOERFJKIPSF-UHFFFAOYSA-N 2 1 350.422 3.140 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H]1c1ccccc1 ZINC000535469438 504443822 /nfs/dbraw/zinc/44/38/22/504443822.db2.gz ONCBNIXGXAZGDX-VXKWHMMOSA-N 2 1 372.472 3.422 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483919 504462587 /nfs/dbraw/zinc/46/25/87/504462587.db2.gz BAKZPPIXDRRGOB-NQIIRXRSSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@@H]1CCC[C@H](C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000539147286 504487600 /nfs/dbraw/zinc/48/76/00/504487600.db2.gz QDNDMJPHCOUVMZ-FYQPLNBISA-N 2 1 352.563 3.403 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2ccc3[nH]c(=O)oc3c2)C(C)C)CC1 ZINC000539162380 504490651 /nfs/dbraw/zinc/49/06/51/504490651.db2.gz ZLCZBZDAJSTPFZ-FQEVSTJZSA-N 2 1 374.529 3.238 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)[C@@H]1CCCO1 ZINC000542493599 504512824 /nfs/dbraw/zinc/51/28/24/504512824.db2.gz GKSZBJMBAUMCNH-MOXWOTFGSA-N 2 1 360.542 3.353 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000539305343 504525332 /nfs/dbraw/zinc/52/53/32/504525332.db2.gz OXCVVYJEHNUOBQ-MOPGFXCFSA-N 2 1 351.494 3.243 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000529116504 504541200 /nfs/dbraw/zinc/54/12/00/504541200.db2.gz YJIOQESWUMZJTF-UYAOXDASSA-N 2 1 356.514 3.374 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000520760500 504575848 /nfs/dbraw/zinc/57/58/48/504575848.db2.gz AZWJXTGTRBMHCG-KDURUIRLSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000520892814 504604970 /nfs/dbraw/zinc/60/49/70/504604970.db2.gz OIDVQGCRFAFZQG-QZTJIDSGSA-N 2 1 364.534 3.226 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](OC)c2ccc(Cl)cc2)C1 ZINC000549137519 504699215 /nfs/dbraw/zinc/69/92/15/504699215.db2.gz UOXGJSFIGGKZRQ-RTBURBONSA-N 2 1 354.922 3.460 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819345 504701017 /nfs/dbraw/zinc/70/10/17/504701017.db2.gz ZPURMEYUPNAQLA-YOEHRIQHSA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819345 504701022 /nfs/dbraw/zinc/70/10/22/504701022.db2.gz ZPURMEYUPNAQLA-YOEHRIQHSA-N 2 1 374.481 3.390 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c3oc(C(=O)OC)cc32)[C@@H](C)C1 ZINC000539819345 504701024 /nfs/dbraw/zinc/70/10/24/504701024.db2.gz ZPURMEYUPNAQLA-YOEHRIQHSA-N 2 1 374.481 3.390 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000521308659 504706531 /nfs/dbraw/zinc/70/65/31/504706531.db2.gz AXENUEHDJPBHDT-HXUWFJFHSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521308659 504706535 /nfs/dbraw/zinc/70/65/35/504706535.db2.gz AXENUEHDJPBHDT-HXUWFJFHSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000521308659 504706537 /nfs/dbraw/zinc/70/65/37/504706537.db2.gz AXENUEHDJPBHDT-HXUWFJFHSA-N 2 1 366.594 3.403 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccsc3C(F)(F)F)CC2)CC1 ZINC000529567282 504730799 /nfs/dbraw/zinc/73/07/99/504730799.db2.gz LESDHXQYQPZDNT-UHFFFAOYSA-N 2 1 361.477 3.226 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1C ZINC000521511948 504750351 /nfs/dbraw/zinc/75/03/51/504750351.db2.gz HFKUTABJUVVADF-HKUYNNGSSA-N 2 1 369.509 3.202 20 0 FGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763144 504754033 /nfs/dbraw/zinc/75/40/33/504754033.db2.gz NPRFWDUBFOGXHC-OKZBNKHCSA-N 2 1 371.525 3.304 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763144 504754036 /nfs/dbraw/zinc/75/40/36/504754036.db2.gz NPRFWDUBFOGXHC-OKZBNKHCSA-N 2 1 371.525 3.304 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)[C@H](C)[C@@H]3C)c2c1C ZINC000540026474 504762239 /nfs/dbraw/zinc/76/22/39/504762239.db2.gz FDEAXOWIJAWWLL-CABCVRRESA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)[C@H](C)[C@@H]3C)c2c1C ZINC000540026474 504762240 /nfs/dbraw/zinc/76/22/40/504762240.db2.gz FDEAXOWIJAWWLL-CABCVRRESA-N 2 1 373.570 3.433 20 0 FGADMP Oc1cccc2c1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000556236485 504826154 /nfs/dbraw/zinc/82/61/54/504826154.db2.gz BJOGPPVQQSQEDG-OAQYLSRUSA-N 2 1 352.478 3.392 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000549475719 504832626 /nfs/dbraw/zinc/83/26/26/504832626.db2.gz HAKLABDKTIATLA-QZTJIDSGSA-N 2 1 350.869 3.409 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000549480795 504833441 /nfs/dbraw/zinc/83/34/41/504833441.db2.gz CIUDTWPMGQGRLW-AEFFLSMTSA-N 2 1 352.404 3.034 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNCc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000549543783 504846098 /nfs/dbraw/zinc/84/60/98/504846098.db2.gz YFTFKHKKLFLXKG-ZDUSSCGKSA-N 2 1 368.312 3.394 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CCCC[N@@H+]2CCC[C@@](CO)(C(C)C)C2)C1 ZINC000559424404 504859227 /nfs/dbraw/zinc/85/92/27/504859227.db2.gz FQGQAQWMGSYDLU-FGZHOGPDSA-N 2 1 368.606 3.228 20 0 FGADMP CC(C)[C@]1(CO)CCC[N@@H+](CCCC[NH+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424405 504859272 /nfs/dbraw/zinc/85/92/72/504859272.db2.gz FQGQAQWMGSYDLU-SZPZYZBQSA-N 2 1 368.606 3.228 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CCCC[N@@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424405 504859273 /nfs/dbraw/zinc/85/92/73/504859273.db2.gz FQGQAQWMGSYDLU-SZPZYZBQSA-N 2 1 368.606 3.228 20 0 FGADMP CC(C)[C@]1(CO)CCC[NH+](CCCC[N@H+]2CCC[C@](CO)(C(C)C)C2)C1 ZINC000559424405 504859275 /nfs/dbraw/zinc/85/92/75/504859275.db2.gz FQGQAQWMGSYDLU-SZPZYZBQSA-N 2 1 368.606 3.228 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000553361916 504893927 /nfs/dbraw/zinc/89/39/27/504893927.db2.gz WEDNOQKEUIHDKN-UHFFFAOYSA-N 2 1 364.534 3.007 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000553405061 504906092 /nfs/dbraw/zinc/90/60/92/504906092.db2.gz ZGVYRWWKELSUSW-NRFANRHFSA-N 2 1 369.509 3.225 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000553405061 504906093 /nfs/dbraw/zinc/90/60/93/504906093.db2.gz ZGVYRWWKELSUSW-NRFANRHFSA-N 2 1 369.509 3.225 20 0 FGADMP CN(CCC[NH+](C)Cc1ccco1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000553405061 504906095 /nfs/dbraw/zinc/90/60/95/504906095.db2.gz ZGVYRWWKELSUSW-NRFANRHFSA-N 2 1 369.509 3.225 20 0 FGADMP COc1ccc(OCc2nc(C[NH+]3CCC(CC[NH3+])CC3)cs2)cc1 ZINC000565541300 504918026 /nfs/dbraw/zinc/91/80/26/504918026.db2.gz MZAUUYUZIPPRDZ-UHFFFAOYSA-N 2 1 361.511 3.292 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000559742110 504919930 /nfs/dbraw/zinc/91/99/30/504919930.db2.gz SRPSGQTZACPQPL-GGAORHGYSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C[C@H]1c1ccccc1 ZINC000559742110 504919933 /nfs/dbraw/zinc/91/99/33/504919933.db2.gz SRPSGQTZACPQPL-GGAORHGYSA-N 2 1 364.537 3.471 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553510651 504935878 /nfs/dbraw/zinc/93/58/78/504935878.db2.gz GOEZDKJTDYYLDT-LMNJBCLMSA-N 2 1 373.516 3.123 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cc1 ZINC000553525799 504939883 /nfs/dbraw/zinc/93/98/83/504939883.db2.gz KQWRRHKJFONWCM-GOSISDBHSA-N 2 1 357.542 3.475 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000553541565 504944951 /nfs/dbraw/zinc/94/49/51/504944951.db2.gz RWZBRKSOBCWWDU-HXUWFJFHSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000562867023 504969904 /nfs/dbraw/zinc/96/99/04/504969904.db2.gz QGXFPOCGTDKNRH-QMMLZNLJSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000562867023 504969907 /nfs/dbraw/zinc/96/99/07/504969907.db2.gz QGXFPOCGTDKNRH-QMMLZNLJSA-N 2 1 373.516 3.265 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@H]2CCCC[C@H]2[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000562956410 504999764 /nfs/dbraw/zinc/99/97/64/504999764.db2.gz SEEXWSHBLHMXHN-MOPGFXCFSA-N 2 1 352.544 3.058 20 0 FGADMP COCC[N@@H+](C)CCCN[C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002235 /nfs/dbraw/zinc/00/22/35/505002235.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002236 /nfs/dbraw/zinc/00/22/36/505002236.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002238 /nfs/dbraw/zinc/00/22/38/505002238.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 2 1 373.585 3.235 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002240 /nfs/dbraw/zinc/00/22/40/505002240.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002241 /nfs/dbraw/zinc/00/22/41/505002241.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002243 /nfs/dbraw/zinc/00/22/43/505002243.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 3 1 373.585 3.235 20 0 FGADMP COCC[NH+](C)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556874130 505002245 /nfs/dbraw/zinc/00/22/45/505002245.db2.gz WMRFDQJEDAQCHY-RJGXRXQPSA-N 3 1 373.585 3.235 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000553768551 505004205 /nfs/dbraw/zinc/00/42/05/505004205.db2.gz PWQBPEGZYITJLP-KOUHRCEDSA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768551 505004210 /nfs/dbraw/zinc/00/42/10/505004210.db2.gz PWQBPEGZYITJLP-KOUHRCEDSA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768551 505004211 /nfs/dbraw/zinc/00/42/11/505004211.db2.gz PWQBPEGZYITJLP-KOUHRCEDSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565909278 505023557 /nfs/dbraw/zinc/02/35/57/505023557.db2.gz DYMSCEYBNFZYKJ-QUCCMNQESA-N 2 1 367.484 3.337 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000565909278 505023559 /nfs/dbraw/zinc/02/35/59/505023559.db2.gz DYMSCEYBNFZYKJ-QUCCMNQESA-N 2 1 367.484 3.337 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000556967596 505033543 /nfs/dbraw/zinc/03/35/43/505033543.db2.gz MTQWMHVEBWOXGJ-DHIUTWEWSA-N 2 1 369.553 3.362 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000556967596 505033545 /nfs/dbraw/zinc/03/35/45/505033545.db2.gz MTQWMHVEBWOXGJ-DHIUTWEWSA-N 2 1 369.553 3.362 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC000563060541 505036921 /nfs/dbraw/zinc/03/69/21/505036921.db2.gz IJWVGVJIHHJLDC-DUXKGJEZSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000557032537 505048695 /nfs/dbraw/zinc/04/86/95/505048695.db2.gz HZNNJGWTHYAIER-OAHLLOKOSA-N 2 1 367.921 3.483 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(=O)[nH]1 ZINC000560355834 505057298 /nfs/dbraw/zinc/05/72/98/505057298.db2.gz YGHWLQSWKRAXCI-VAMGGRTRSA-N 2 1 352.482 3.023 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c(=O)[nH]1 ZINC000560355834 505057301 /nfs/dbraw/zinc/05/73/01/505057301.db2.gz YGHWLQSWKRAXCI-VAMGGRTRSA-N 2 1 352.482 3.023 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550682068 505084881 /nfs/dbraw/zinc/08/48/81/505084881.db2.gz ULMGPVVLEFYAKD-VWPQPMDRSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550682068 505084885 /nfs/dbraw/zinc/08/48/85/505084885.db2.gz ULMGPVVLEFYAKD-VWPQPMDRSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550682068 505084888 /nfs/dbraw/zinc/08/48/88/505084888.db2.gz ULMGPVVLEFYAKD-VWPQPMDRSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550682068 505084891 /nfs/dbraw/zinc/08/48/91/505084891.db2.gz ULMGPVVLEFYAKD-VWPQPMDRSA-N 2 1 365.606 3.461 20 0 FGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000550682068 505084894 /nfs/dbraw/zinc/08/48/94/505084894.db2.gz ULMGPVVLEFYAKD-VWPQPMDRSA-N 2 1 365.606 3.461 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC000550716233 505089754 /nfs/dbraw/zinc/08/97/54/505089754.db2.gz XXFVUVVZMDHJDL-IEBWSBKVSA-N 2 1 362.477 3.365 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000557194188 505090351 /nfs/dbraw/zinc/09/03/51/505090351.db2.gz ZWVCNQNDUWEBRI-HNAYVOBHSA-N 2 1 369.513 3.319 20 0 FGADMP C[NH+](C)C[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506142 505107559 /nfs/dbraw/zinc/10/75/59/505107559.db2.gz IZDGMQZENDXBTM-IEBWSBKVSA-N 2 1 365.949 3.366 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336481 505109244 /nfs/dbraw/zinc/10/92/44/505109244.db2.gz TYQJUSSDMXRGGT-MOPGFXCFSA-N 2 1 358.530 3.218 20 0 FGADMP COc1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)ccc1C ZINC000557338047 505110576 /nfs/dbraw/zinc/11/05/76/505110576.db2.gz NNIVRBBBYQUILL-QGZVFWFLSA-N 2 1 356.470 3.018 20 0 FGADMP COc1cc(-c2nc(C[N@H+]3CC[C@@H](c4nccn4C)C3)cs2)ccc1O ZINC000563351083 505116864 /nfs/dbraw/zinc/11/68/64/505116864.db2.gz VXBBUEGVGLZZDF-CQSZACIVSA-N 2 1 370.478 3.247 20 0 FGADMP COc1cc(-c2nc(CN3CC[C@@H](c4nccn4C)C3)cs2)ccc1O ZINC000563351083 505116867 /nfs/dbraw/zinc/11/68/67/505116867.db2.gz VXBBUEGVGLZZDF-CQSZACIVSA-N 2 1 370.478 3.247 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3ccnc(OC)c3)cc2)CC1 ZINC000550893219 505121829 /nfs/dbraw/zinc/12/18/29/505121829.db2.gz VNULXXBWXISLJK-GOSISDBHSA-N 2 1 368.525 3.079 20 0 FGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244294 505121854 /nfs/dbraw/zinc/12/18/54/505121854.db2.gz QLUZZZJKGMUDKZ-XUVXKRRUSA-N 2 1 357.542 3.253 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000566250859 505123342 /nfs/dbraw/zinc/12/33/42/505123342.db2.gz FLVILTNWUGKQSL-YOEHRIQHSA-N 2 1 369.912 3.353 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551050138 505148165 /nfs/dbraw/zinc/14/81/65/505148165.db2.gz FSCDXQWLVWYBMM-ANULTFPQSA-N 2 1 357.542 3.495 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000551050138 505148170 /nfs/dbraw/zinc/14/81/70/505148170.db2.gz FSCDXQWLVWYBMM-ANULTFPQSA-N 2 1 357.542 3.495 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)C[C@@H]1c1ccccc1 ZINC000551085642 505154163 /nfs/dbraw/zinc/15/41/63/505154163.db2.gz DKUGRLOVAWMOFP-ZWKOTPCHSA-N 2 1 357.523 3.293 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccs2)C[C@@H]1c1ccccc1 ZINC000551085642 505154166 /nfs/dbraw/zinc/15/41/66/505154166.db2.gz DKUGRLOVAWMOFP-ZWKOTPCHSA-N 2 1 357.523 3.293 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000563507190 505161117 /nfs/dbraw/zinc/16/11/17/505161117.db2.gz LJJZYONDPPWOEC-LJQANCHMSA-N 2 1 372.513 3.087 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000554450064 505176348 /nfs/dbraw/zinc/17/63/48/505176348.db2.gz JOSIMXVIDVMLOJ-IRXDYDNUSA-N 2 1 364.559 3.059 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000551201575 505176964 /nfs/dbraw/zinc/17/69/64/505176964.db2.gz VYMBOHULTWBKRS-PCCBWWKXSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)N3CCCC3)C2)C[C@@H]1c1ccccc1 ZINC000551201575 505176968 /nfs/dbraw/zinc/17/69/68/505176968.db2.gz VYMBOHULTWBKRS-PCCBWWKXSA-N 2 1 370.541 3.092 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554464623 505180316 /nfs/dbraw/zinc/18/03/16/505180316.db2.gz NUCBJKOHLWQAOL-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP Cn1ccnc1[C@@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000554489249 505185807 /nfs/dbraw/zinc/18/58/07/505185807.db2.gz JISWGNUKBNZXLF-BEFAXECRSA-N 2 1 358.461 3.029 20 0 FGADMP CC[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+](CC)CC ZINC000557641496 505190816 /nfs/dbraw/zinc/19/08/16/505190816.db2.gz TYUZBFXQRLALAN-IRLDBZIGSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000563725963 505222659 /nfs/dbraw/zinc/22/26/59/505222659.db2.gz XFAJOTCNVWONDU-KDURUIRLSA-N 3 1 371.569 3.044 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1c(F)cccc1OC(F)(F)F ZINC000551536425 505246540 /nfs/dbraw/zinc/24/65/40/505246540.db2.gz NKZKQJVZPOXHLU-CYBMUJFWSA-N 2 1 364.383 3.051 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000554723688 505249304 /nfs/dbraw/zinc/24/93/04/505249304.db2.gz NYMJDOYHQUODRN-UHFFFAOYSA-N 2 1 360.527 3.426 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727236 505256955 /nfs/dbraw/zinc/25/69/55/505256955.db2.gz DCSWLSWQYNSEKT-DMUMMCEESA-N 2 1 372.557 3.043 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566855172 505292298 /nfs/dbraw/zinc/29/22/98/505292298.db2.gz VKPRDYRVYLMEMI-NHCUHLMSSA-N 2 1 369.553 3.135 20 0 FGADMP CC[C@H]1C[N@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000563990713 505296926 /nfs/dbraw/zinc/29/69/26/505296926.db2.gz ZRGSPTCFJWITRE-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000563990713 505296929 /nfs/dbraw/zinc/29/69/29/505296929.db2.gz ZRGSPTCFJWITRE-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000563990713 505296931 /nfs/dbraw/zinc/29/69/31/505296931.db2.gz ZRGSPTCFJWITRE-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CC[C@H]1C[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000563990713 505296933 /nfs/dbraw/zinc/29/69/33/505296933.db2.gz ZRGSPTCFJWITRE-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000564058596 505314226 /nfs/dbraw/zinc/31/42/26/505314226.db2.gz IOCMHQUBPKIFPR-NJYVYQBISA-N 2 1 358.526 3.072 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCC12CCOCC2 ZINC000564058596 505314230 /nfs/dbraw/zinc/31/42/30/505314230.db2.gz IOCMHQUBPKIFPR-NJYVYQBISA-N 2 1 358.526 3.072 20 0 FGADMP C[NH+](C)C[C@@H](N[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252368 505345341 /nfs/dbraw/zinc/34/53/41/505345341.db2.gz LCGVDDOCYLVFNR-FCHUYYIVSA-N 2 1 355.501 3.335 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCCC[NH+]3C)CC[N@H+]2C2CC2)c1 ZINC000555125133 505356719 /nfs/dbraw/zinc/35/67/19/505356719.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCCC[N@@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125133 505356725 /nfs/dbraw/zinc/35/67/25/505356725.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 2 1 357.542 3.437 20 0 FGADMP COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCCC[N@H+]3C)CC[NH+]2C2CC2)c1 ZINC000555125133 505356731 /nfs/dbraw/zinc/35/67/31/505356731.db2.gz DGLJJZVSWQNYSU-BVYCBKJFSA-N 2 1 357.542 3.437 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000558380407 505371701 /nfs/dbraw/zinc/37/17/01/505371701.db2.gz QELISQYWVSDDEB-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380407 505371702 /nfs/dbraw/zinc/37/17/02/505371702.db2.gz QELISQYWVSDDEB-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380407 505371703 /nfs/dbraw/zinc/37/17/03/505371703.db2.gz QELISQYWVSDDEB-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000558418532 505383594 /nfs/dbraw/zinc/38/35/94/505383594.db2.gz IKYXJHXCMLUXBO-FQEVSTJZSA-N 2 1 354.498 3.280 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000558418532 505383599 /nfs/dbraw/zinc/38/35/99/505383599.db2.gz IKYXJHXCMLUXBO-FQEVSTJZSA-N 2 1 354.498 3.280 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233733 505386051 /nfs/dbraw/zinc/38/60/51/505386051.db2.gz FJWLWMPBTRPNLH-WMQCIHAUSA-N 2 1 374.525 3.259 20 0 FGADMP CC(C)COC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552250875 505441751 /nfs/dbraw/zinc/44/17/51/505441751.db2.gz DHWGHFHNDAPSNQ-SSGKUCQKSA-N 2 1 374.569 3.300 20 0 FGADMP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583340 505461156 /nfs/dbraw/zinc/46/11/56/505461156.db2.gz NFQSCJVLLWWDBM-MSOLQXFVSA-N 2 1 373.545 3.052 20 0 FGADMP Cc1cc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583340 505461160 /nfs/dbraw/zinc/46/11/60/505461160.db2.gz NFQSCJVLLWWDBM-MSOLQXFVSA-N 2 1 373.545 3.052 20 0 FGADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000567453900 505468510 /nfs/dbraw/zinc/46/85/10/505468510.db2.gz XCGHCSWSSPLPLQ-KGVIQGDOSA-N 2 1 372.557 3.187 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458211 505496843 /nfs/dbraw/zinc/49/68/43/505496843.db2.gz WUOQSLLWERBZKT-IFMALSPDSA-N 2 1 369.553 3.026 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458211 505496846 /nfs/dbraw/zinc/49/68/46/505496846.db2.gz WUOQSLLWERBZKT-IFMALSPDSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458211 505496849 /nfs/dbraw/zinc/49/68/49/505496849.db2.gz WUOQSLLWERBZKT-IFMALSPDSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1Cc1ccccc1 ZINC000552458211 505496854 /nfs/dbraw/zinc/49/68/54/505496854.db2.gz WUOQSLLWERBZKT-IFMALSPDSA-N 2 1 369.553 3.026 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000564825708 505530795 /nfs/dbraw/zinc/53/07/95/505530795.db2.gz DPZDHQXYSHISGZ-DKIMLUQUSA-N 2 1 371.550 3.258 20 0 FGADMP C[C@@H](C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552780150 505553417 /nfs/dbraw/zinc/55/34/17/505553417.db2.gz ZNXTYTOLHDZOGX-KSZLIROESA-N 2 1 373.541 3.037 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935238 505561027 /nfs/dbraw/zinc/56/10/27/505561027.db2.gz SQRHEKGSKYCDOO-LXGCGDOSSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935238 505561030 /nfs/dbraw/zinc/56/10/30/505561030.db2.gz SQRHEKGSKYCDOO-LXGCGDOSSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000567772994 505561927 /nfs/dbraw/zinc/56/19/27/505561927.db2.gz RGBWUYZUKGVVQT-JRGCBEDISA-N 2 1 351.494 3.418 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)o1 ZINC000608165926 506446708 /nfs/dbraw/zinc/44/67/08/506446708.db2.gz SSYRWJCQZBBJGR-IBGZPJMESA-N 2 1 369.509 3.468 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(-n2ccnc2)ncn1 ZINC000608368777 506531933 /nfs/dbraw/zinc/53/19/33/506531933.db2.gz UBNIXZQAPSIDFU-LJQANCHMSA-N 2 1 362.481 3.011 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000583033578 506553190 /nfs/dbraw/zinc/55/31/90/506553190.db2.gz HUCITQTVQICCAN-MISYRCLQSA-N 2 1 361.574 3.268 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000593353286 506567323 /nfs/dbraw/zinc/56/73/23/506567323.db2.gz STKDGGOGQFBDIP-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CC(CN(C)CC[C@@H]1CCCC[N@H+]1C)C[NH+](C)CC[C@@H]1CCCC[NH+]1C ZINC000608565691 506610828 /nfs/dbraw/zinc/61/08/28/506610828.db2.gz KSUCPGYAFFPFTL-VXKWHMMOSA-N 3 1 366.638 3.235 20 0 FGADMP CC(CN(C)CC[C@@H]1CCCC[NH+]1C)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000608565691 506610831 /nfs/dbraw/zinc/61/08/31/506610831.db2.gz KSUCPGYAFFPFTL-VXKWHMMOSA-N 3 1 366.638 3.235 20 0 FGADMP CC(CN(C)CC[C@@H]1CCCC[NH+]1C)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000608565691 506610835 /nfs/dbraw/zinc/61/08/35/506610835.db2.gz KSUCPGYAFFPFTL-VXKWHMMOSA-N 3 1 366.638 3.235 20 0 FGADMP COCCCn1nccc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000583321794 506716817 /nfs/dbraw/zinc/71/68/17/506716817.db2.gz FEPXZWFGYOACBE-UNMCSNQZSA-N 2 1 370.541 3.092 20 0 FGADMP CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2ccnn2-c2ccncc2)C1 ZINC000597031184 506740401 /nfs/dbraw/zinc/74/04/01/506740401.db2.gz WHCNNISLVQTYSS-INIZCTEOSA-N 2 1 356.470 3.211 20 0 FGADMP CN(C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604201707 506748083 /nfs/dbraw/zinc/74/80/83/506748083.db2.gz GYKGJFXZJVCLIK-RTWAWAEBSA-N 2 1 370.541 3.092 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000583419957 506768955 /nfs/dbraw/zinc/76/89/55/506768955.db2.gz KQJCCMFZEUELCK-IBGZPJMESA-N 2 1 364.578 3.062 20 0 FGADMP C[NH+](C)CC[C@@H](NC(=O)NCCC[N@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000604776362 506939518 /nfs/dbraw/zinc/93/95/18/506939518.db2.gz HEZUZPLJGQVREH-HXUWFJFHSA-N 2 1 374.573 3.100 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000604780681 506940686 /nfs/dbraw/zinc/94/06/86/506940686.db2.gz XAGDKDOYUUCYGX-CEXWTWQISA-N 2 1 368.610 3.410 20 0 FGADMP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000583802317 506982977 /nfs/dbraw/zinc/98/29/77/506982977.db2.gz QKSKCKBTBVCRDT-IZZBFERCSA-N 2 1 372.557 3.371 20 0 FGADMP COc1ccc([C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000583806404 506983227 /nfs/dbraw/zinc/98/32/27/506983227.db2.gz CBAFNFSLJHGGFJ-ZYKFHVCXSA-N 2 1 370.497 3.496 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](SC)C(C)(C)C)CC2)CC1 ZINC000594337916 507084111 /nfs/dbraw/zinc/08/41/11/507084111.db2.gz VIYOMQXKJXZLAT-SFHVURJKSA-N 2 1 369.619 3.077 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000605202574 507108647 /nfs/dbraw/zinc/10/86/47/507108647.db2.gz MREXHLGDEPZEDA-PXNSSMCTSA-N 2 1 374.529 3.074 20 0 FGADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000613540315 507139770 /nfs/dbraw/zinc/13/97/70/507139770.db2.gz UATSBQPHOWREQE-IBGZPJMESA-N 2 1 362.514 3.181 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccsc1 ZINC000600844099 507145441 /nfs/dbraw/zinc/14/54/41/507145441.db2.gz SAWRZYJNOPXPIJ-MSOLQXFVSA-N 2 1 366.575 3.305 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000600894800 507163882 /nfs/dbraw/zinc/16/38/82/507163882.db2.gz VKXLNHTZAPCMRQ-OAQYLSRUSA-N 2 1 372.557 3.087 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000600894800 507163891 /nfs/dbraw/zinc/16/38/91/507163891.db2.gz VKXLNHTZAPCMRQ-OAQYLSRUSA-N 2 1 372.557 3.087 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000600894800 507163899 /nfs/dbraw/zinc/16/38/99/507163899.db2.gz VKXLNHTZAPCMRQ-OAQYLSRUSA-N 2 1 372.557 3.087 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000600894579 507164260 /nfs/dbraw/zinc/16/42/60/507164260.db2.gz DLKZOSBYTNXUGK-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404502 507180699 /nfs/dbraw/zinc/18/06/99/507180699.db2.gz MHSZARCCBZKAER-DLBZAZTESA-N 2 1 352.482 3.097 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000584163197 507189331 /nfs/dbraw/zinc/18/93/31/507189331.db2.gz JQYLPOIXYJXZGZ-WOJBJXKFSA-N 2 1 374.916 3.244 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)c(C)o1 ZINC000594617686 507215637 /nfs/dbraw/zinc/21/56/37/507215637.db2.gz WZUGCTMMOUVVKH-HNNXBMFYSA-N 2 1 362.495 3.438 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(C)o1 ZINC000594617686 507215641 /nfs/dbraw/zinc/21/56/41/507215641.db2.gz WZUGCTMMOUVVKH-HNNXBMFYSA-N 2 1 362.495 3.438 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)o1 ZINC000594617686 507215646 /nfs/dbraw/zinc/21/56/46/507215646.db2.gz WZUGCTMMOUVVKH-HNNXBMFYSA-N 2 1 362.495 3.438 20 0 FGADMP CC[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000584220337 507220648 /nfs/dbraw/zinc/22/06/48/507220648.db2.gz IFTLSERVGCQJRI-OAQYLSRUSA-N 2 1 364.493 3.248 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)C1 ZINC000584240770 507231811 /nfs/dbraw/zinc/23/18/11/507231811.db2.gz RIRDHCMBLCZMOB-OAHLLOKOSA-N 2 1 358.511 3.055 20 0 FGADMP C[C@@H]1CCN(CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)C1 ZINC000584240770 507231815 /nfs/dbraw/zinc/23/18/15/507231815.db2.gz RIRDHCMBLCZMOB-OAHLLOKOSA-N 2 1 358.511 3.055 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[NH+](C)C1CC1 ZINC000591554637 507289265 /nfs/dbraw/zinc/28/92/65/507289265.db2.gz CEWHMVDOZJBDNI-MSOLQXFVSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000591554637 507289269 /nfs/dbraw/zinc/28/92/69/507289269.db2.gz CEWHMVDOZJBDNI-MSOLQXFVSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)[N@@H+](C)C1CC1 ZINC000591554637 507289274 /nfs/dbraw/zinc/28/92/74/507289274.db2.gz CEWHMVDOZJBDNI-MSOLQXFVSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591572873 507297738 /nfs/dbraw/zinc/29/77/38/507297738.db2.gz RCTRWABUPBKSKK-HMXCVIKNSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000605959243 507311817 /nfs/dbraw/zinc/31/18/17/507311817.db2.gz IBCALWKTOWYQAW-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000605959243 507311821 /nfs/dbraw/zinc/31/18/21/507311821.db2.gz IBCALWKTOWYQAW-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000605968812 507314578 /nfs/dbraw/zinc/31/45/78/507314578.db2.gz QDQKZPDKDXMBLU-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000605968812 507314584 /nfs/dbraw/zinc/31/45/84/507314584.db2.gz QDQKZPDKDXMBLU-IBGZPJMESA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290286 507324670 /nfs/dbraw/zinc/32/46/70/507324670.db2.gz KASFSTFWBPGHOX-SFTDATJTSA-N 2 1 370.541 3.010 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000584526689 507394529 /nfs/dbraw/zinc/39/45/29/507394529.db2.gz DHOBCZCGQVTPLJ-QFBILLFUSA-N 2 1 371.550 3.352 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000584526689 507394534 /nfs/dbraw/zinc/39/45/34/507394534.db2.gz DHOBCZCGQVTPLJ-QFBILLFUSA-N 2 1 371.550 3.352 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@@H]3CNc4ccnn4C3)cc2)C1 ZINC000595139033 507405631 /nfs/dbraw/zinc/40/56/31/507405631.db2.gz GLOISDLKLQSZQF-LVCYWYKZSA-N 2 1 367.541 3.193 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCSc3cccc(Cl)c3)C2)CC1 ZINC000595314640 507457842 /nfs/dbraw/zinc/45/78/42/507457842.db2.gz VEMCQQUSVRWFQE-KRWDZBQOSA-N 2 1 353.963 3.144 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3cccc(Cl)c3)C2)CC1 ZINC000595314641 507458291 /nfs/dbraw/zinc/45/82/91/507458291.db2.gz VEMCQQUSVRWFQE-QGZVFWFLSA-N 2 1 353.963 3.144 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690473 507483372 /nfs/dbraw/zinc/48/33/72/507483372.db2.gz AGGKCXBKGCXQRN-LEWJYISDSA-N 2 1 372.557 3.195 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779838 507498862 /nfs/dbraw/zinc/49/88/62/507498862.db2.gz QUPQXPRQDKVADM-YADHBBJMSA-N 2 1 350.506 3.377 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779838 507498869 /nfs/dbraw/zinc/49/88/69/507498869.db2.gz QUPQXPRQDKVADM-YADHBBJMSA-N 2 1 350.506 3.377 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000607125424 507623446 /nfs/dbraw/zinc/62/34/46/507623446.db2.gz PMDXCFWVUACQKA-GHTZIAJQSA-N 2 1 357.542 3.230 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000592404431 507643360 /nfs/dbraw/zinc/64/33/60/507643360.db2.gz SPCOWGPUOBCIMV-FCGDIQPGSA-N 2 1 368.562 3.223 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1C ZINC000592433661 507655959 /nfs/dbraw/zinc/65/59/59/507655959.db2.gz OFTNTHRUZKCPDQ-PMACEKPBSA-N 2 1 374.525 3.067 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000586756132 507660368 /nfs/dbraw/zinc/66/03/68/507660368.db2.gz CADLQFNUWSLPFT-RCLSDMTESA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756132 507660376 /nfs/dbraw/zinc/66/03/76/507660376.db2.gz CADLQFNUWSLPFT-RCLSDMTESA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756132 507660380 /nfs/dbraw/zinc/66/03/80/507660380.db2.gz CADLQFNUWSLPFT-RCLSDMTESA-N 2 1 357.542 3.276 20 0 FGADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000611532293 507725158 /nfs/dbraw/zinc/72/51/58/507725158.db2.gz UNIGDSGWZHBDDK-SFHVURJKSA-N 2 1 362.514 3.038 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1CCOC[C@@H](C2CCC2)C1 ZINC000644842985 568181270 /nfs/dbraw/zinc/18/12/70/568181270.db2.gz HHFHTKHRYQKBFM-NRFANRHFSA-N 2 1 358.526 3.410 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870893 568396152 /nfs/dbraw/zinc/39/61/52/568396152.db2.gz OUGSNHQYRHYREB-SSGKUCQKSA-N 2 1 371.569 3.178 20 0 FGADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870893 568396153 /nfs/dbraw/zinc/39/61/53/568396153.db2.gz OUGSNHQYRHYREB-SSGKUCQKSA-N 2 1 371.569 3.178 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000821614391 606133119 /nfs/dbraw/zinc/13/31/19/606133119.db2.gz DQJAGFIPUQOZAE-UHFFFAOYSA-N 2 1 364.497 3.115 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)c(F)c2)c1 ZINC000825390478 609141560 /nfs/dbraw/zinc/14/15/60/609141560.db2.gz GQBIINNROFHCJC-AWEZNQCLSA-N 2 1 368.460 3.308 20 0 FGADMP c1cc(-c2nn[nH]n2)cc(C2([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)c1 ZINC000826513237 609249413 /nfs/dbraw/zinc/24/94/13/609249413.db2.gz FJGBXHROAYUPJH-UHFFFAOYSA-N 2 1 366.513 3.243 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000109788841 700536962 /nfs/dbraw/zinc/53/69/62/700536962.db2.gz QAHHIADWWCNNIJ-UHFFFAOYSA-N 2 1 353.551 3.440 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000120410959 700654355 /nfs/dbraw/zinc/65/43/55/700654355.db2.gz GQMDVINVQYGJLJ-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000120410959 700654357 /nfs/dbraw/zinc/65/43/57/700654357.db2.gz GQMDVINVQYGJLJ-QGZVFWFLSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000125541708 700737066 /nfs/dbraw/zinc/73/70/66/700737066.db2.gz HHRVRTUWBPJODY-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000125541708 700737067 /nfs/dbraw/zinc/73/70/67/700737067.db2.gz HHRVRTUWBPJODY-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[NH+]1CCC([NH2+]CC2CC[NH+](Cc3csc(CC)n3)CC2)CC1 ZINC000161765354 705282287 /nfs/dbraw/zinc/28/22/87/705282287.db2.gz FTZZUJNDHUGUPC-UHFFFAOYSA-N 3 1 364.603 3.382 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000173339652 705454506 /nfs/dbraw/zinc/45/45/06/705454506.db2.gz DJWLNXPIRFJNKH-QAPCUYQASA-N 2 1 351.535 3.286 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457531 713640946 /nfs/dbraw/zinc/64/09/46/713640946.db2.gz IAIHEOBLDRJSEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457531 713640947 /nfs/dbraw/zinc/64/09/47/713640947.db2.gz IAIHEOBLDRJSEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457531 713640948 /nfs/dbraw/zinc/64/09/48/713640948.db2.gz IAIHEOBLDRJSEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1cccc(Br)c1 ZINC000247457531 713640949 /nfs/dbraw/zinc/64/09/49/713640949.db2.gz IAIHEOBLDRJSEE-IAGOWNOFSA-N 2 1 355.320 3.289 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCCC1 ZINC000249043075 713662876 /nfs/dbraw/zinc/66/28/76/713662876.db2.gz VGLOXKFBUGXBMZ-SQNIBIBYSA-N 2 1 351.535 3.286 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252414398 713673003 /nfs/dbraw/zinc/67/30/03/713673003.db2.gz HKYJDQZDRODDLD-RHSMWYFYSA-N 2 1 353.304 3.292 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000310720099 713800522 /nfs/dbraw/zinc/80/05/22/713800522.db2.gz AADCKCSKKIAVGI-GOSISDBHSA-N 2 1 351.535 3.286 20 0 FGADMP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000310720100 713800530 /nfs/dbraw/zinc/80/05/30/713800530.db2.gz AADCKCSKKIAVGI-SFHVURJKSA-N 2 1 351.535 3.286 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(C)(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000386011715 713984284 /nfs/dbraw/zinc/98/42/84/713984284.db2.gz UXVJQDIRSMEWHU-IRXDYDNUSA-N 2 1 351.535 3.240 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](OC)C34CCC4)CC2)cs1 ZINC000453110064 714056976 /nfs/dbraw/zinc/05/69/76/714056976.db2.gz NQSXVTJXQBFTBA-MSOLQXFVSA-N 2 1 363.571 3.465 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000521786313 714148110 /nfs/dbraw/zinc/14/81/10/714148110.db2.gz ZHEMQPVXFNLWTH-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000522132824 714171647 /nfs/dbraw/zinc/17/16/47/714171647.db2.gz SRXWCFKYXMGQQZ-CABCVRRESA-N 2 1 367.563 3.227 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccc(Cl)cc1 ZINC000577742889 714468761 /nfs/dbraw/zinc/46/87/61/714468761.db2.gz JBRSTJKCNREWMC-LJQANCHMSA-N 2 1 363.933 3.420 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824544 714498577 /nfs/dbraw/zinc/49/85/77/714498577.db2.gz MIOXQYILOUEKCK-IEBWSBKVSA-N 2 1 362.514 3.292 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)Cc1ccc(F)cc1 ZINC000579824544 714498580 /nfs/dbraw/zinc/49/85/80/714498580.db2.gz MIOXQYILOUEKCK-IEBWSBKVSA-N 2 1 362.514 3.292 20 0 FGADMP CSc1ccc(C)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000619177387 714808490 /nfs/dbraw/zinc/80/84/90/714808490.db2.gz VPUGESNVLKUAGF-UHFFFAOYSA-N 2 1 356.495 3.116 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643524500 718037958 /nfs/dbraw/zinc/03/79/58/718037958.db2.gz QCJCTLJXCTVURV-ZCPGHIKRSA-N 2 1 353.304 3.257 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623360612 715318427 /nfs/dbraw/zinc/31/84/27/715318427.db2.gz QRMSBASYQBXBAA-WBVHZDCISA-N 2 1 350.503 3.244 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623360612 715318432 /nfs/dbraw/zinc/31/84/32/715318432.db2.gz QRMSBASYQBXBAA-WBVHZDCISA-N 2 1 350.503 3.244 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC1(C)C ZINC000623414998 715331033 /nfs/dbraw/zinc/33/10/33/715331033.db2.gz WVPZCSFFYPKYOB-LSDHHAIUSA-N 2 1 366.347 3.490 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2N(C)C)C[C@H](C)O1 ZINC000623425050 715334052 /nfs/dbraw/zinc/33/40/52/715334052.db2.gz OZMDCNLCNIXAEP-GASCZTMLSA-N 2 1 355.473 3.010 20 0 FGADMP CC(C)OCCN1CCC([NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623439015 715336390 /nfs/dbraw/zinc/33/63/90/715336390.db2.gz SQWFUKJMKKEOEA-UHFFFAOYSA-N 2 1 355.473 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000779394411 724411299 /nfs/dbraw/zinc/41/12/99/724411299.db2.gz WRZYEILPNKZGDN-RDJZCZTQSA-N 2 1 350.507 3.349 20 0 FGADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629523827 716302831 /nfs/dbraw/zinc/30/28/31/716302831.db2.gz JUHXOPXTZIQSIM-NHYWBVRUSA-N 2 1 371.344 3.330 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629560093 716307643 /nfs/dbraw/zinc/30/76/43/716307643.db2.gz CSNOAPSMJVKVLP-ZYHUDNBSSA-N 2 1 354.775 3.317 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1C(F)(F)F ZINC000629560093 716307651 /nfs/dbraw/zinc/30/76/51/716307651.db2.gz CSNOAPSMJVKVLP-ZYHUDNBSSA-N 2 1 354.775 3.317 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979439 717396478 /nfs/dbraw/zinc/39/64/78/717396478.db2.gz SKMMODNIACPTMM-CVEARBPZSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979439 717396482 /nfs/dbraw/zinc/39/64/82/717396482.db2.gz SKMMODNIACPTMM-CVEARBPZSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979439 717396487 /nfs/dbraw/zinc/39/64/87/717396487.db2.gz SKMMODNIACPTMM-CVEARBPZSA-N 2 1 353.457 3.330 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cccn(C(F)F)c2=O)C1 ZINC000637979439 717396493 /nfs/dbraw/zinc/39/64/93/717396493.db2.gz SKMMODNIACPTMM-CVEARBPZSA-N 2 1 353.457 3.330 20 0 FGADMP O=c1c(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cccn1C(F)F ZINC000638025185 717402417 /nfs/dbraw/zinc/40/24/17/717402417.db2.gz XWKHCXNKMBOWLJ-MRXNPFEDSA-N 2 1 353.457 3.331 20 0 FGADMP O=c1c(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cccn1C(F)F ZINC000638025185 717402421 /nfs/dbraw/zinc/40/24/21/717402421.db2.gz XWKHCXNKMBOWLJ-MRXNPFEDSA-N 2 1 353.457 3.331 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC(n4cccn4)C3)CC2)cs1 ZINC000638624377 717470792 /nfs/dbraw/zinc/47/07/92/717470792.db2.gz YVCAYHLQTJNMCC-UHFFFAOYSA-N 2 1 359.543 3.107 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000638748092 717481815 /nfs/dbraw/zinc/48/18/15/717481815.db2.gz HMLWDTWFKVSUFA-CVEARBPZSA-N 2 1 358.313 3.043 20 0 FGADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000638770768 717483498 /nfs/dbraw/zinc/48/34/98/717483498.db2.gz GIKBLWMTBFMNIM-QGZVFWFLSA-N 2 1 350.478 3.253 20 0 FGADMP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)sn1 ZINC000639210096 717531591 /nfs/dbraw/zinc/53/15/91/717531591.db2.gz GTCLKNYKLNVRTH-SFHVURJKSA-N 2 1 357.523 3.162 20 0 FGADMP c1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)sn1 ZINC000639210096 717531598 /nfs/dbraw/zinc/53/15/98/717531598.db2.gz GTCLKNYKLNVRTH-SFHVURJKSA-N 2 1 357.523 3.162 20 0 FGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000639981576 717639826 /nfs/dbraw/zinc/63/98/26/717639826.db2.gz LQIKXSBZYLXCFT-SFHVURJKSA-N 2 1 366.933 3.168 20 0 FGADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524197 718118510 /nfs/dbraw/zinc/11/85/10/718118510.db2.gz ZSHOCIRBABDEHA-GOEBONIOSA-N 2 1 355.404 3.250 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000644611314 718132566 /nfs/dbraw/zinc/13/25/66/718132566.db2.gz CESYSAHGPFVSFZ-SFHVURJKSA-N 2 1 361.555 3.066 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000644611314 718132569 /nfs/dbraw/zinc/13/25/69/718132569.db2.gz CESYSAHGPFVSFZ-SFHVURJKSA-N 2 1 361.555 3.066 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2ccc(Br)cc2)C1 ZINC000644669102 718140175 /nfs/dbraw/zinc/14/01/75/718140175.db2.gz DEMNAMJQDAKEFY-CQSZACIVSA-N 2 1 368.319 3.099 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292496 718275709 /nfs/dbraw/zinc/27/57/09/718275709.db2.gz IWUHJPWEOIMJOO-FNHZYXHNSA-N 2 1 367.896 3.263 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646292496 718275712 /nfs/dbraw/zinc/27/57/12/718275712.db2.gz IWUHJPWEOIMJOO-FNHZYXHNSA-N 2 1 367.896 3.263 20 0 FGADMP Oc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543707 718366629 /nfs/dbraw/zinc/36/66/29/718366629.db2.gz RFHQPAKKRPHWAQ-UONOGXRCSA-N 2 1 353.304 3.366 20 0 FGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543632 718366635 /nfs/dbraw/zinc/36/66/35/718366635.db2.gz QMVCOPMOEIDWRD-JKSUJKDBSA-N 2 1 359.905 3.132 20 0 FGADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000647548781 718367172 /nfs/dbraw/zinc/36/71/72/718367172.db2.gz SXNQPKPSDUEEBS-WMLDXEAASA-N 2 1 356.432 3.341 20 0 FGADMP FC(F)Oc1ccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988536 718392914 /nfs/dbraw/zinc/39/29/14/718392914.db2.gz YVKYOAPVVDOZCB-SFHVURJKSA-N 2 1 354.441 3.441 20 0 FGADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000648774346 718449634 /nfs/dbraw/zinc/44/96/34/718449634.db2.gz SWWRLJUIJZPTNQ-CRAIPNDOSA-N 2 1 363.933 3.008 20 0 FGADMP COC[C@H]1CCC[N@H+]1Cc1ccc(F)c(C[NH+]2CCC[C@H]2COC)c1 ZINC000649339094 718505833 /nfs/dbraw/zinc/50/58/33/718505833.db2.gz MGZRYMHAAMENOV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@H]1CCC[NH+]1Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000649339094 718505834 /nfs/dbraw/zinc/50/58/34/718505834.db2.gz MGZRYMHAAMENOV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@H]1CCC[NH+]1Cc1ccc(F)c(C[N@H+]2CCC[C@H]2COC)c1 ZINC000649339094 718505835 /nfs/dbraw/zinc/50/58/35/718505835.db2.gz MGZRYMHAAMENOV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707382 718717560 /nfs/dbraw/zinc/71/75/60/718717560.db2.gz DVZLFYOCROEYFY-VBQJREDUSA-N 2 1 358.404 3.145 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707859 718717645 /nfs/dbraw/zinc/71/76/45/718717645.db2.gz OKPQTFAZLZKNJV-FRFSOERESA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000650722691 718720695 /nfs/dbraw/zinc/72/06/95/718720695.db2.gz ZXYGJHPDYBWEGZ-IKGGRYGDSA-N 2 1 353.304 3.310 20 0 FGADMP CC(C)C[N@@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000650951065 718748500 /nfs/dbraw/zinc/74/85/00/718748500.db2.gz HSEUJUPGOKVQDM-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP CC[N@H+](CCC[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000651909351 718888202 /nfs/dbraw/zinc/88/82/02/718888202.db2.gz HBVWRONDUVWTFO-UHFFFAOYSA-N 2 1 367.559 3.192 20 0 FGADMP CC[N@@H+](CCC[NH2+]Cc1cccc(NS(C)(=O)=O)c1)C1CCCCC1 ZINC000651909351 718888205 /nfs/dbraw/zinc/88/82/05/718888205.db2.gz HBVWRONDUVWTFO-UHFFFAOYSA-N 2 1 367.559 3.192 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC000652222350 718923966 /nfs/dbraw/zinc/92/39/66/718923966.db2.gz LVYTZAXCEBJWFM-INIZCTEOSA-N 2 1 355.548 3.077 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000652363415 718936866 /nfs/dbraw/zinc/93/68/66/718936866.db2.gz DIAQDZWKWCVLDL-UPJWGTAASA-N 2 1 363.449 3.331 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000652363415 718936867 /nfs/dbraw/zinc/93/68/67/718936867.db2.gz DIAQDZWKWCVLDL-UPJWGTAASA-N 2 1 363.449 3.331 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(SC(F)(F)F)c1 ZINC000781338936 724554047 /nfs/dbraw/zinc/55/40/47/724554047.db2.gz YPAGEVUROCUPKW-UHFFFAOYSA-N 2 1 361.477 3.368 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCn4ccnc43)CC2)cs1 ZINC000655712508 719328572 /nfs/dbraw/zinc/32/85/72/719328572.db2.gz SKWWBPYPOJASEM-KRWDZBQOSA-N 2 1 359.543 3.239 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655711819 719328602 /nfs/dbraw/zinc/32/86/02/719328602.db2.gz NFASYTMRWUHJMC-QUCCMNQESA-N 2 1 351.579 3.120 20 0 FGADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000655720849 719329881 /nfs/dbraw/zinc/32/98/81/719329881.db2.gz HNOWMJWTAKZFMY-CYBMUJFWSA-N 2 1 365.319 3.373 20 0 FGADMP Clc1ccc2sc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)nc2c1 ZINC000655732143 719331259 /nfs/dbraw/zinc/33/12/59/719331259.db2.gz YWQBQOYONKMXHF-HNNXBMFYSA-N 2 1 365.930 3.335 20 0 FGADMP Clc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)cc1 ZINC000655739146 719332549 /nfs/dbraw/zinc/33/25/49/719332549.db2.gz XSVASZJCAJCHAL-UYAOXDASSA-N 2 1 363.933 3.152 20 0 FGADMP COc1cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000655771479 719337530 /nfs/dbraw/zinc/33/75/30/719337530.db2.gz LVSNVKQHWVHQNQ-QGZVFWFLSA-N 2 1 352.906 3.124 20 0 FGADMP COCc1csc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000657329910 719626814 /nfs/dbraw/zinc/62/68/14/719626814.db2.gz PFXSXYGPVCVINL-INIZCTEOSA-N 2 1 360.523 3.405 20 0 FGADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000657860391 719722559 /nfs/dbraw/zinc/72/25/59/719722559.db2.gz GRJJWXHHVZNKMI-RTBURBONSA-N 2 1 366.571 3.381 20 0 FGADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000657860391 719722562 /nfs/dbraw/zinc/72/25/62/719722562.db2.gz GRJJWXHHVZNKMI-RTBURBONSA-N 2 1 366.571 3.381 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(C(F)F)nc1 ZINC000657924539 719731723 /nfs/dbraw/zinc/73/17/23/719731723.db2.gz BHJLJKUVRXZXPB-DOPJRALCSA-N 2 1 353.457 3.438 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000658143679 719762360 /nfs/dbraw/zinc/76/23/60/719762360.db2.gz ZTFCLLVROFUOGQ-QZTJIDSGSA-N 2 1 357.523 3.185 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658166588 719765238 /nfs/dbraw/zinc/76/52/38/719765238.db2.gz BOGQNOIVJIIKDL-HCXYKTFWSA-N 2 1 350.453 3.301 20 0 FGADMP Cc1nc(C[N@@H+]2CCCC23CCN(c2[nH+]cc(C)cc2N)CC3)cs1 ZINC001164692636 719812055 /nfs/dbraw/zinc/81/20/55/719812055.db2.gz QBPICESWWDSLLD-UHFFFAOYSA-N 2 1 357.527 3.372 20 0 FGADMP Cc1nc(C[N@H+]2CCCC23CCN(c2[nH+]cc(C)cc2N)CC3)cs1 ZINC001164692636 719812056 /nfs/dbraw/zinc/81/20/56/719812056.db2.gz QBPICESWWDSLLD-UHFFFAOYSA-N 2 1 357.527 3.372 20 0 FGADMP O=C1Nc2ccccc2S[C@@H]1CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000659847722 719943575 /nfs/dbraw/zinc/94/35/75/719943575.db2.gz ZWEYVBOZKYBPBR-LJQANCHMSA-N 2 1 359.539 3.440 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000659979187 719967272 /nfs/dbraw/zinc/96/72/72/719967272.db2.gz JTBRRDBTGPNWKE-HNNXBMFYSA-N 2 1 360.420 3.360 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000659979187 719967275 /nfs/dbraw/zinc/96/72/75/719967275.db2.gz JTBRRDBTGPNWKE-HNNXBMFYSA-N 2 1 360.420 3.360 20 0 FGADMP C[C@@H]1CN(CC[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000660007125 719971039 /nfs/dbraw/zinc/97/10/39/719971039.db2.gz HFRZQOYEGWPHRA-SLFFLAALSA-N 2 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[C@H]([NH+]2CCCC3(CCC[N@H+]([C@@H]4CCO[C@H](C)C4)C3)C2)CCO1 ZINC000660565822 720075262 /nfs/dbraw/zinc/07/52/62/720075262.db2.gz HJMMFBXJUISHKC-CVNCVKFOSA-N 2 1 350.547 3.299 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655646 720091638 /nfs/dbraw/zinc/09/16/38/720091638.db2.gz OMWJFXJMTJTDLJ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655646 720091641 /nfs/dbraw/zinc/09/16/41/720091641.db2.gz OMWJFXJMTJTDLJ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655646 720091649 /nfs/dbraw/zinc/09/16/49/720091649.db2.gz OMWJFXJMTJTDLJ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655646 720091655 /nfs/dbraw/zinc/09/16/55/720091655.db2.gz OMWJFXJMTJTDLJ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656953 720093058 /nfs/dbraw/zinc/09/30/58/720093058.db2.gz CHMMIDRHWHQTQJ-ZWKOTPCHSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656953 720093062 /nfs/dbraw/zinc/09/30/62/720093062.db2.gz CHMMIDRHWHQTQJ-ZWKOTPCHSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656953 720093065 /nfs/dbraw/zinc/09/30/65/720093065.db2.gz CHMMIDRHWHQTQJ-ZWKOTPCHSA-N 2 1 356.432 3.027 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1Cl ZINC000660659140 720093667 /nfs/dbraw/zinc/09/36/67/720093667.db2.gz KMDCGHVEVSZIEG-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1Cl ZINC000660659140 720093671 /nfs/dbraw/zinc/09/36/71/720093671.db2.gz KMDCGHVEVSZIEG-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1Cl ZINC000660659140 720093675 /nfs/dbraw/zinc/09/36/75/720093675.db2.gz KMDCGHVEVSZIEG-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290626 720410315 /nfs/dbraw/zinc/41/03/15/720410315.db2.gz GSOLGHKLZWHVND-DOTOQJQBSA-N 2 1 361.555 3.447 20 0 FGADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290629 720410666 /nfs/dbraw/zinc/41/06/66/720410666.db2.gz GSOLGHKLZWHVND-WBVHZDCISA-N 2 1 361.555 3.447 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294601 720411112 /nfs/dbraw/zinc/41/11/12/720411112.db2.gz CPSAWXXLAKWKRA-OAHLLOKOSA-N 2 1 369.962 3.072 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCc1ccccc1Cl ZINC000662296495 720411558 /nfs/dbraw/zinc/41/15/58/720411558.db2.gz LCNFNWXVVZKYAU-GOSISDBHSA-N 2 1 363.933 3.058 20 0 FGADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296749 720411618 /nfs/dbraw/zinc/41/16/18/720411618.db2.gz MZAGOSIEMHYJTM-NVXWUHKLSA-N 2 1 361.555 3.447 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297464 720412088 /nfs/dbraw/zinc/41/20/88/720412088.db2.gz QFKNKRQGGGOXDX-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662524146 720438078 /nfs/dbraw/zinc/43/80/78/720438078.db2.gz UKDSDDFSFKHXGL-CZUORRHYSA-N 2 1 370.335 3.076 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368282 720506409 /nfs/dbraw/zinc/50/64/09/720506409.db2.gz CSEXLWSAMMVCAO-DLBZAZTESA-N 2 1 356.432 3.192 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837872 720512402 /nfs/dbraw/zinc/51/24/02/720512402.db2.gz QGSDXOXBJZQIFI-FUHIMQAGSA-N 2 1 364.497 3.137 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000663452496 720516671 /nfs/dbraw/zinc/51/66/71/720516671.db2.gz ZKICJIRBHGCYOU-HOTGVXAUSA-N 2 1 364.559 3.057 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455772 720517255 /nfs/dbraw/zinc/51/72/55/720517255.db2.gz UDYNDHVZHNTBRJ-PBHICJAKSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455772 720517258 /nfs/dbraw/zinc/51/72/58/720517258.db2.gz UDYNDHVZHNTBRJ-PBHICJAKSA-N 2 1 366.937 3.115 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nn2cc(C3CCCC3)nc2s1 ZINC000664196452 720607200 /nfs/dbraw/zinc/60/72/00/720607200.db2.gz TZHZAKQWEWUSLC-AWEZNQCLSA-N 2 1 364.563 3.132 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nn2cc(C3CCCC3)nc2s1 ZINC000664196452 720607203 /nfs/dbraw/zinc/60/72/03/720607203.db2.gz TZHZAKQWEWUSLC-AWEZNQCLSA-N 2 1 364.563 3.132 20 0 FGADMP Brc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000666341676 720920369 /nfs/dbraw/zinc/92/03/69/720920369.db2.gz VKGXPBYAAAGLFB-GOSISDBHSA-N 2 1 367.331 3.225 20 0 FGADMP Cc1ccc(C[NH+]2CCC3(CCN(c4cc[nH+]c(N)n4)CC3)CC2)cc1 ZINC001164759111 721045599 /nfs/dbraw/zinc/04/55/99/721045599.db2.gz GHSGAQZZNLTZID-UHFFFAOYSA-N 2 1 351.498 3.250 20 0 FGADMP Cc1c(Br)cncc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000668169328 721249493 /nfs/dbraw/zinc/24/94/93/721249493.db2.gz OCKKMECASKMIOL-OAHLLOKOSA-N 2 1 352.320 3.316 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000669583622 721468949 /nfs/dbraw/zinc/46/89/49/721468949.db2.gz LKESMJXGPIHAHE-MSOLQXFVSA-N 2 1 366.937 3.164 20 0 FGADMP Cc1[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc2[nH]ccc21 ZINC001164904653 721548943 /nfs/dbraw/zinc/54/89/43/721548943.db2.gz FWZLGJFUFCBRKZ-SJLPKXTDSA-N 2 1 366.440 3.352 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](CC)C[NH+]2CCCC2)CC1 ZINC000675193387 721737229 /nfs/dbraw/zinc/73/72/29/721737229.db2.gz GXGOZEJAVNUGSY-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP Cc1c[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc1N ZINC001165022131 721821979 /nfs/dbraw/zinc/82/19/79/721821979.db2.gz GKOUHFOQEHMVJC-HQRMLTQVSA-N 2 1 351.498 3.104 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Oc1ccc(Br)cc1 ZINC000677241518 721875626 /nfs/dbraw/zinc/87/56/26/721875626.db2.gz QCFPEJOLZDZMCP-BMFZPTHFSA-N 2 1 353.304 3.433 20 0 FGADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000678607639 721967157 /nfs/dbraw/zinc/96/71/57/721967157.db2.gz NMCNPUBPQHXAJM-VVWQDTPRSA-N 2 1 351.897 3.441 20 0 FGADMP FC(F)O[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000679739314 722045909 /nfs/dbraw/zinc/04/59/09/722045909.db2.gz CTJSFQIBNSQHFH-GOSISDBHSA-N 2 1 354.441 3.365 20 0 FGADMP C[N@H+](Cc1cscc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848026 722405442 /nfs/dbraw/zinc/40/54/42/722405442.db2.gz PHYZAOXWTKPICR-HNNXBMFYSA-N 2 1 361.477 3.367 20 0 FGADMP C[N@@H+](Cc1cscc1C(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685848026 722405443 /nfs/dbraw/zinc/40/54/43/722405443.db2.gz PHYZAOXWTKPICR-HNNXBMFYSA-N 2 1 361.477 3.367 20 0 FGADMP Cn1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)c1Cl ZINC000712433766 722414546 /nfs/dbraw/zinc/41/45/46/722414546.db2.gz VEBVIEWLYWETNR-GOSISDBHSA-N 2 1 358.917 3.465 20 0 FGADMP Cn1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c1Cl ZINC000712433766 722414547 /nfs/dbraw/zinc/41/45/47/722414547.db2.gz VEBVIEWLYWETNR-GOSISDBHSA-N 2 1 358.917 3.465 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000734487857 722507781 /nfs/dbraw/zinc/50/77/81/722507781.db2.gz XNVXOXMVWGVRBE-CRAIPNDOSA-N 2 1 355.448 3.478 20 0 FGADMP C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000734487857 722507782 /nfs/dbraw/zinc/50/77/82/722507782.db2.gz XNVXOXMVWGVRBE-CRAIPNDOSA-N 2 1 355.448 3.478 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(C)cc1C ZINC000751010587 722790511 /nfs/dbraw/zinc/79/05/11/722790511.db2.gz ITILVLVGKVTKLX-SFHVURJKSA-N 2 1 362.587 3.348 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1C ZINC000751010095 722790586 /nfs/dbraw/zinc/79/05/86/722790586.db2.gz HIICKXZYHIYGQT-SFHVURJKSA-N 2 1 362.587 3.348 20 0 FGADMP C[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000767353721 723615828 /nfs/dbraw/zinc/61/58/28/723615828.db2.gz YIHFVPCHUAUCAI-MRXNPFEDSA-N 2 1 368.363 3.170 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000767458682 723619999 /nfs/dbraw/zinc/61/99/99/723619999.db2.gz BKMDPAZPNSSGLW-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000767458682 723620001 /nfs/dbraw/zinc/62/00/01/723620001.db2.gz BKMDPAZPNSSGLW-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000796358571 723634362 /nfs/dbraw/zinc/63/43/62/723634362.db2.gz OHDQRPAVPGBBCT-KBPBESRZSA-N 2 1 368.547 3.130 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000769556339 723689756 /nfs/dbraw/zinc/68/97/56/723689756.db2.gz ZLLJIFZWOVAPDP-LJQANCHMSA-N 2 1 360.571 3.096 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccc(Cl)nc1 ZINC000771370399 723733717 /nfs/dbraw/zinc/73/37/17/723733717.db2.gz LCHBCXFXEKYHFN-GDBMZVCRSA-N 2 1 364.946 3.436 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)[C@@H](C)C1 ZINC000773133641 723777360 /nfs/dbraw/zinc/77/73/60/723777360.db2.gz HLLYHHNYLKGNAY-JCECYMMASA-N 2 1 358.617 3.093 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000774991202 723949068 /nfs/dbraw/zinc/94/90/68/723949068.db2.gz XCAJQAIXLCHJQB-OAHLLOKOSA-N 2 1 367.331 3.348 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4ccc(Cl)nc43)CC2)nc(C)[nH+]1 ZINC000776263322 724125776 /nfs/dbraw/zinc/12/57/76/724125776.db2.gz AEBKUOFATZQMEK-INIZCTEOSA-N 2 1 357.889 3.388 20 0 FGADMP C[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000801922287 724346621 /nfs/dbraw/zinc/34/66/21/724346621.db2.gz HKJSMQFHWXHTED-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000801922287 724346626 /nfs/dbraw/zinc/34/66/26/724346626.db2.gz HKJSMQFHWXHTED-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000801922287 724346631 /nfs/dbraw/zinc/34/66/31/724346631.db2.gz HKJSMQFHWXHTED-QZTJIDSGSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@@H+]1C ZINC000801925031 724346704 /nfs/dbraw/zinc/34/67/04/724346704.db2.gz YQVCKAHIJNASOC-FGTMMUONSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[N@H+]1C ZINC000801925031 724346705 /nfs/dbraw/zinc/34/67/05/724346705.db2.gz YQVCKAHIJNASOC-FGTMMUONSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925031 724346709 /nfs/dbraw/zinc/34/67/09/724346709.db2.gz YQVCKAHIJNASOC-FGTMMUONSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC[NH+]1C ZINC000801925031 724346712 /nfs/dbraw/zinc/34/67/12/724346712.db2.gz YQVCKAHIJNASOC-FGTMMUONSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450456 724913373 /nfs/dbraw/zinc/91/33/73/724913373.db2.gz FYTAVGWHFCFGFN-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450456 724913377 /nfs/dbraw/zinc/91/33/77/724913377.db2.gz FYTAVGWHFCFGFN-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCS2 ZINC000786581036 724989810 /nfs/dbraw/zinc/98/98/10/724989810.db2.gz RWLRXXZVZMXTSL-MJGOQNOKSA-N 2 1 362.539 3.465 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000788243139 725052224 /nfs/dbraw/zinc/05/22/24/725052224.db2.gz IYDVWTBEDWEQCU-CGTJXYLNSA-N 2 1 351.535 3.286 20 0 FGADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788613996 725076013 /nfs/dbraw/zinc/07/60/13/725076013.db2.gz ZCXHYDJWMYXQMR-QGZVFWFLSA-N 2 1 351.535 3.240 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788613996 725076017 /nfs/dbraw/zinc/07/60/17/725076017.db2.gz ZCXHYDJWMYXQMR-QGZVFWFLSA-N 2 1 351.535 3.240 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794393 725096448 /nfs/dbraw/zinc/09/64/48/725096448.db2.gz UEWSDMPFEOMXLH-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794393 725096451 /nfs/dbraw/zinc/09/64/51/725096451.db2.gz UEWSDMPFEOMXLH-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794393 725096454 /nfs/dbraw/zinc/09/64/54/725096454.db2.gz UEWSDMPFEOMXLH-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247729 725299668 /nfs/dbraw/zinc/29/96/68/725299668.db2.gz WKYCIAAFVXMNNO-AXVVYFOYSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247729 725299669 /nfs/dbraw/zinc/29/96/69/725299669.db2.gz WKYCIAAFVXMNNO-AXVVYFOYSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247729 725299670 /nfs/dbraw/zinc/29/96/70/725299670.db2.gz WKYCIAAFVXMNNO-AXVVYFOYSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000814645087 726989461 /nfs/dbraw/zinc/98/94/61/726989461.db2.gz OIGNEVMUBUVXSR-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053312 727027148 /nfs/dbraw/zinc/02/71/48/727027148.db2.gz PBRRYADYTGDRHF-DYVFJYSZSA-N 2 1 373.310 3.069 20 0 FGADMP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053312 727027151 /nfs/dbraw/zinc/02/71/51/727027151.db2.gz PBRRYADYTGDRHF-DYVFJYSZSA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053312 727027153 /nfs/dbraw/zinc/02/71/53/727027153.db2.gz PBRRYADYTGDRHF-DYVFJYSZSA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053312 727027154 /nfs/dbraw/zinc/02/71/54/727027154.db2.gz PBRRYADYTGDRHF-DYVFJYSZSA-N 2 1 373.310 3.069 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143574 727044302 /nfs/dbraw/zinc/04/43/02/727044302.db2.gz AUYCPEKSEAPRCH-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143574 727044305 /nfs/dbraw/zinc/04/43/05/727044305.db2.gz AUYCPEKSEAPRCH-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CC3CCN(C(=O)OC(C)(C)C)CC3)C2)C1 ZINC000815143574 727044307 /nfs/dbraw/zinc/04/43/07/727044307.db2.gz AUYCPEKSEAPRCH-FQEVSTJZSA-N 2 1 351.535 3.051 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143700 727045096 /nfs/dbraw/zinc/04/50/96/727045096.db2.gz CPDWGNHKUNKTQZ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143700 727045097 /nfs/dbraw/zinc/04/50/97/727045097.db2.gz CPDWGNHKUNKTQZ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143700 727045098 /nfs/dbraw/zinc/04/50/98/727045098.db2.gz CPDWGNHKUNKTQZ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)C2)C1 ZINC000815143700 727045099 /nfs/dbraw/zinc/04/50/99/727045099.db2.gz CPDWGNHKUNKTQZ-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290479 727236675 /nfs/dbraw/zinc/23/66/75/727236675.db2.gz DBAKYKORICLISL-XDNAFOTISA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290479 727236679 /nfs/dbraw/zinc/23/66/79/727236679.db2.gz DBAKYKORICLISL-XDNAFOTISA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1CNC(=O)OC(C)(C)C ZINC000817290479 727236681 /nfs/dbraw/zinc/23/66/81/727236681.db2.gz DBAKYKORICLISL-XDNAFOTISA-N 2 1 353.551 3.342 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000819101406 727347651 /nfs/dbraw/zinc/34/76/51/727347651.db2.gz SWNXRNMKKREPGL-MRXNPFEDSA-N 2 1 357.376 3.194 20 0 FGADMP C[N@H+](CCN1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000822616375 729201361 /nfs/dbraw/zinc/20/13/61/729201361.db2.gz CFRHHQRFHHEQNZ-SFHVURJKSA-N 2 1 370.368 3.320 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CC[C@H]2CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000822616375 729201364 /nfs/dbraw/zinc/20/13/64/729201364.db2.gz CFRHHQRFHHEQNZ-SFHVURJKSA-N 2 1 370.368 3.320 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834893086 729844453 /nfs/dbraw/zinc/84/44/53/729844453.db2.gz NSNDMAIEOHKTNC-XWDNEUNKSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]CCCC[N@@H+](C)C2CC2)CCN1C(=O)OC(C)(C)C ZINC000835063122 729854633 /nfs/dbraw/zinc/85/46/33/729854633.db2.gz HJNGQSZXNCYIEM-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)sc2Cl)C1 ZINC000842040122 730289548 /nfs/dbraw/zinc/28/95/48/730289548.db2.gz UHSWSUUIABIZEN-SNVBAGLBSA-N 2 1 352.287 3.163 20 0 FGADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Cl)sc2Cl)C1 ZINC000842040122 730289551 /nfs/dbraw/zinc/28/95/51/730289551.db2.gz UHSWSUUIABIZEN-SNVBAGLBSA-N 2 1 352.287 3.163 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843058981 730574982 /nfs/dbraw/zinc/57/49/82/730574982.db2.gz BDKHQAJVCSKSJY-YTQUADARSA-N 2 1 358.917 3.452 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000843058981 730574983 /nfs/dbraw/zinc/57/49/83/730574983.db2.gz BDKHQAJVCSKSJY-YTQUADARSA-N 2 1 358.917 3.452 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC(=O)Nc1cccc(Br)c1 ZINC000843360293 730610511 /nfs/dbraw/zinc/61/05/11/730610511.db2.gz MMTRGCCSIFPOSB-VHRNVKJDSA-N 2 1 366.303 3.122 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCC(=O)Nc1cccc(Br)c1 ZINC000843360293 730610515 /nfs/dbraw/zinc/61/05/15/730610515.db2.gz MMTRGCCSIFPOSB-VHRNVKJDSA-N 2 1 366.303 3.122 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326692 730703461 /nfs/dbraw/zinc/70/34/61/730703461.db2.gz KIQPGRDVMGYUBS-DLBZAZTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326692 730703464 /nfs/dbraw/zinc/70/34/64/730703464.db2.gz KIQPGRDVMGYUBS-DLBZAZTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326692 730703469 /nfs/dbraw/zinc/70/34/69/730703469.db2.gz KIQPGRDVMGYUBS-DLBZAZTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326692 730703472 /nfs/dbraw/zinc/70/34/72/730703472.db2.gz KIQPGRDVMGYUBS-DLBZAZTESA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326694 730703563 /nfs/dbraw/zinc/70/35/63/730703563.db2.gz KIQPGRDVMGYUBS-IRXDYDNUSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326694 730703564 /nfs/dbraw/zinc/70/35/64/730703564.db2.gz KIQPGRDVMGYUBS-IRXDYDNUSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326694 730703565 /nfs/dbraw/zinc/70/35/65/730703565.db2.gz KIQPGRDVMGYUBS-IRXDYDNUSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CC4(CCC4)C(=O)O3)C2)s1 ZINC000844326694 730703568 /nfs/dbraw/zinc/70/35/68/730703568.db2.gz KIQPGRDVMGYUBS-IRXDYDNUSA-N 2 1 362.539 3.296 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000846217211 730937235 /nfs/dbraw/zinc/93/72/35/730937235.db2.gz CWXLQMAMTVKYNI-UHFFFAOYSA-N 2 1 356.308 3.147 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903861 730993522 /nfs/dbraw/zinc/99/35/22/730993522.db2.gz ZSPRUUOEIAGFFI-OHTSDLOESA-N 2 1 351.535 3.240 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903861 730993526 /nfs/dbraw/zinc/99/35/26/730993526.db2.gz ZSPRUUOEIAGFFI-OHTSDLOESA-N 2 1 351.535 3.240 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC2CCC1(CNC(=O)OC(C)(C)C)CC2 ZINC000846903861 730993529 /nfs/dbraw/zinc/99/35/29/730993529.db2.gz ZSPRUUOEIAGFFI-OHTSDLOESA-N 2 1 351.535 3.240 20 0 FGADMP Clc1ccc2nc(Cl)c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000848599590 731186523 /nfs/dbraw/zinc/18/65/23/731186523.db2.gz NDMIDYCLOUQPKX-MRXNPFEDSA-N 2 1 365.308 3.021 20 0 FGADMP Clc1ccc2nc(Cl)c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2c1 ZINC000848599590 731186526 /nfs/dbraw/zinc/18/65/26/731186526.db2.gz NDMIDYCLOUQPKX-MRXNPFEDSA-N 2 1 365.308 3.021 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cc(F)c(C(F)(F)F)cc1F ZINC000849078019 731226733 /nfs/dbraw/zinc/22/67/33/731226733.db2.gz FIEGNNUIQWFIRQ-LLVKDONJSA-N 2 1 364.362 3.082 20 0 FGADMP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000850467396 731359961 /nfs/dbraw/zinc/35/99/61/731359961.db2.gz VKXLGGCBDUDERW-FAFZWHIHSA-N 2 1 351.535 3.430 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4nc(Cl)ccc43)cc2)C1 ZINC000850508760 731366442 /nfs/dbraw/zinc/36/64/42/731366442.db2.gz OATWJNNVTOKXMM-AEFFLSMTSA-N 2 1 357.885 3.079 20 0 FGADMP Cc1ncsc1C[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559800 732038710 /nfs/dbraw/zinc/03/87/10/732038710.db2.gz JHXQYZPBCZXJJY-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncsc1C[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559800 732038715 /nfs/dbraw/zinc/03/87/15/732038715.db2.gz JHXQYZPBCZXJJY-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncsc1C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559800 732038720 /nfs/dbraw/zinc/03/87/20/732038720.db2.gz JHXQYZPBCZXJJY-GOSISDBHSA-N 2 1 360.527 3.340 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cn(C)nc2Cl)cc1 ZINC000856766053 732056284 /nfs/dbraw/zinc/05/62/84/732056284.db2.gz PTSFDYZURMADRE-UHFFFAOYSA-N 2 1 350.894 3.084 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228230 732194510 /nfs/dbraw/zinc/19/45/10/732194510.db2.gz FHCQHMACKOQHCE-HOTGVXAUSA-N 2 1 351.535 3.381 20 0 FGADMP CSCCCCCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000858725004 732241291 /nfs/dbraw/zinc/24/12/91/732241291.db2.gz KLYZELFCQGMLEM-UHFFFAOYSA-N 2 1 350.532 3.085 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034694 732437485 /nfs/dbraw/zinc/43/74/85/732437485.db2.gz RPTQYMJHWFXUEN-AHRSYUTCSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034694 732437491 /nfs/dbraw/zinc/43/74/91/732437491.db2.gz RPTQYMJHWFXUEN-AHRSYUTCSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@]2(C)CN(C(=O)OC(C)(C)C)C[C@@]2(C)C1 ZINC000860034694 732437496 /nfs/dbraw/zinc/43/74/96/732437496.db2.gz RPTQYMJHWFXUEN-AHRSYUTCSA-N 2 1 351.535 3.050 20 0 FGADMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863561960 732976898 /nfs/dbraw/zinc/97/68/98/732976898.db2.gz FUPGHELUJOPRIX-IAGOWNOFSA-N 2 1 355.320 3.466 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000865476139 733208910 /nfs/dbraw/zinc/20/89/10/733208910.db2.gz UPNPBPYRFRFSOU-MKQGEQSTSA-N 2 1 363.571 3.416 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CC1 ZINC000865476139 733208918 /nfs/dbraw/zinc/20/89/18/733208918.db2.gz UPNPBPYRFRFSOU-MKQGEQSTSA-N 2 1 363.571 3.416 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1Br ZINC000865630963 733242004 /nfs/dbraw/zinc/24/20/04/733242004.db2.gz AKDXNCXZBOPUCH-KRWDZBQOSA-N 2 1 367.331 3.409 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1Br ZINC000865630964 733242089 /nfs/dbraw/zinc/24/20/89/733242089.db2.gz AKDXNCXZBOPUCH-QGZVFWFLSA-N 2 1 367.331 3.409 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641075 733243449 /nfs/dbraw/zinc/24/34/49/733243449.db2.gz SMCOCTUVRQTWBG-KBPBESRZSA-N 2 1 367.456 3.154 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872064071 735583299 /nfs/dbraw/zinc/58/32/99/735583299.db2.gz WKNBNSBQRMYORJ-WMLDXEAASA-N 2 1 364.287 3.093 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150379 735595808 /nfs/dbraw/zinc/59/58/08/735595808.db2.gz QKIZKVNVLUQVOG-YPMHNXCESA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150379 735595809 /nfs/dbraw/zinc/59/58/09/735595809.db2.gz QKIZKVNVLUQVOG-YPMHNXCESA-N 2 1 356.310 3.197 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2)n1 ZINC000872151787 735596267 /nfs/dbraw/zinc/59/62/67/735596267.db2.gz MWKTUDISOPQZPQ-RDJZCZTQSA-N 2 1 352.404 3.058 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@H](C(F)(F)F)[C@@H](C[NH3+])C3)cc2)n1 ZINC000872151787 735596272 /nfs/dbraw/zinc/59/62/72/735596272.db2.gz MWKTUDISOPQZPQ-RDJZCZTQSA-N 2 1 352.404 3.058 20 0 FGADMP Cc1sc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1Br ZINC000873080883 735718317 /nfs/dbraw/zinc/71/83/17/735718317.db2.gz VICJXVLGTXMIFU-CVEARBPZSA-N 2 1 373.360 3.286 20 0 FGADMP COCCC1([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]CC1 ZINC000873224365 735740296 /nfs/dbraw/zinc/74/02/96/735740296.db2.gz DESLCNJIPPIBIG-UHFFFAOYSA-N 2 1 364.383 3.015 20 0 FGADMP CSC(C)(C)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000877518879 736677694 /nfs/dbraw/zinc/67/76/94/736677694.db2.gz WMIZIAMAWUPGDC-FQEVSTJZSA-N 2 1 361.599 3.410 20 0 FGADMP COCC[N@H+](Cc1cc2cc(Cl)cnc2o1)CC1CC[NH+](C)CC1 ZINC000877664768 736701850 /nfs/dbraw/zinc/70/18/50/736701850.db2.gz WASBYUMJSHCQBG-UHFFFAOYSA-N 2 1 351.878 3.271 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000878411584 736827685 /nfs/dbraw/zinc/82/76/85/736827685.db2.gz LVMDSQILNXDVMU-BJLQDIEVSA-N 2 1 350.547 3.205 20 0 FGADMP C[N@H+]1CC[C@H]2CN(CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575194 737010080 /nfs/dbraw/zinc/01/00/80/737010080.db2.gz IBTSWXOLLRNZRT-BLLLJJGKSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575194 737010083 /nfs/dbraw/zinc/01/00/83/737010083.db2.gz IBTSWXOLLRNZRT-BLLLJJGKSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575194 737010085 /nfs/dbraw/zinc/01/00/85/737010085.db2.gz IBTSWXOLLRNZRT-BLLLJJGKSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575194 737010088 /nfs/dbraw/zinc/01/00/88/737010088.db2.gz IBTSWXOLLRNZRT-BLLLJJGKSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)CC[C@H]21 ZINC000879575194 737010091 /nfs/dbraw/zinc/01/00/91/737010091.db2.gz IBTSWXOLLRNZRT-BLLLJJGKSA-N 2 1 356.297 3.348 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000880471059 737177591 /nfs/dbraw/zinc/17/75/91/737177591.db2.gz OOFSGRTWKFDZCK-QFBILLFUSA-N 2 1 366.933 3.339 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCc2ccccc2Br)C1 ZINC000883435585 737566561 /nfs/dbraw/zinc/56/65/61/737566561.db2.gz WRRBBYRSPMFGCF-KBAYOESNSA-N 2 1 367.331 3.352 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)N2CCCCC[C@H]([NH3+])C2)[C@@H]1c1cccs1 ZINC000891596625 739919333 /nfs/dbraw/zinc/91/93/33/739919333.db2.gz DOUVYEREMGIGHH-SOLBZPMBSA-N 2 1 364.559 3.044 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC)C2)C[C@@H]1C(F)(F)F ZINC000892741447 740039725 /nfs/dbraw/zinc/03/97/25/740039725.db2.gz AXWXQVHQRIKVED-QXSJWSMHSA-N 2 1 364.452 3.218 20 0 FGADMP C[N@@H+](Cc1cc2c(cccc2O)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894768988 742330592 /nfs/dbraw/zinc/33/05/92/742330592.db2.gz BRGRMLOAGFXVPK-MRXNPFEDSA-N 2 1 359.539 3.207 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C(F)(F)F)c1 ZINC000894908552 742351715 /nfs/dbraw/zinc/35/17/15/742351715.db2.gz BKWBQMHPXMFTGO-GOOCMWNKSA-N 2 1 356.388 3.207 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C(F)(F)F)c1 ZINC000894908552 742351721 /nfs/dbraw/zinc/35/17/21/742351721.db2.gz BKWBQMHPXMFTGO-GOOCMWNKSA-N 2 1 356.388 3.207 20 0 FGADMP C[C@H]1C[N@H+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CCO1 ZINC000899874645 743021088 /nfs/dbraw/zinc/02/10/88/743021088.db2.gz HHHXBMLCTHLBMB-LBPRGKRZSA-N 2 1 355.360 3.266 20 0 FGADMP C[C@H]1C[N@@H+](CCNc2cc[nH+]c3cc(OC(F)(F)F)ccc23)CCO1 ZINC000899874645 743021099 /nfs/dbraw/zinc/02/10/99/743021099.db2.gz HHHXBMLCTHLBMB-LBPRGKRZSA-N 2 1 355.360 3.266 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Br ZINC000903183809 743818479 /nfs/dbraw/zinc/81/84/79/743818479.db2.gz QVWACKRPZRYITL-SDJXIENJSA-N 2 1 365.315 3.230 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1Br ZINC000903183808 743818600 /nfs/dbraw/zinc/81/86/00/743818600.db2.gz QVWACKRPZRYITL-BDCDKBNASA-N 2 1 365.315 3.230 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCC[N@H+]2C[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000904371866 743950074 /nfs/dbraw/zinc/95/00/74/743950074.db2.gz VGFVTFVBZAKLEX-ZJPYXAASSA-N 2 1 351.535 3.225 20 0 FGADMP CCCC[C@H](CC)CNC(=S)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000920995316 758628312 /nfs/dbraw/zinc/62/83/12/758628312.db2.gz LZMPJZHNDQASJE-KRWDZBQOSA-N 2 1 356.624 3.035 20 0 FGADMP CCCC[C@H](CC)CNC(=S)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000920995316 758628318 /nfs/dbraw/zinc/62/83/18/758628318.db2.gz LZMPJZHNDQASJE-KRWDZBQOSA-N 2 1 356.624 3.035 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386564 758909435 /nfs/dbraw/zinc/90/94/35/758909435.db2.gz ICYHLNQZDXQZAG-TVFCKZIOSA-N 2 1 356.432 3.275 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@H]1C(C)C ZINC000922395582 758913679 /nfs/dbraw/zinc/91/36/79/758913679.db2.gz UASPZCAGIAUSMY-MTNOOBJLSA-N 2 1 351.922 3.003 20 0 FGADMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)CC[NH2+]CC2 ZINC000923382525 759108762 /nfs/dbraw/zinc/10/87/62/759108762.db2.gz CGEUVJZCZXVJAI-YOEHRIQHSA-N 2 1 356.432 3.073 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1(Br)CC1 ZINC000926126896 759658484 /nfs/dbraw/zinc/65/84/84/759658484.db2.gz SOJTXJFLSJGVKA-PBHICJAKSA-N 2 1 367.331 3.049 20 0 FGADMP C[C@@H]([NH2+]CC1(S(C)(=O)=O)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926702591 759806667 /nfs/dbraw/zinc/80/66/67/759806667.db2.gz OUVWTGNJQHDALP-MRXNPFEDSA-N 2 1 352.544 3.146 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCOCC3)[C@H]2CCC[C@H]21 ZINC000927161239 759910038 /nfs/dbraw/zinc/91/00/38/759910038.db2.gz GNFWXBZLUZAEHX-ZRSRNVLSSA-N 2 1 350.547 3.202 20 0 FGADMP c1csc(C[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000934330780 761596452 /nfs/dbraw/zinc/59/64/52/761596452.db2.gz JVZYLBVUJJXYFV-LJQANCHMSA-N 2 1 357.523 3.040 20 0 FGADMP c1csc(C[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)n1 ZINC000934330780 761596458 /nfs/dbraw/zinc/59/64/58/761596458.db2.gz JVZYLBVUJJXYFV-LJQANCHMSA-N 2 1 357.523 3.040 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000996602826 765020005 /nfs/dbraw/zinc/02/00/05/765020005.db2.gz HIIOKZKROJPZTC-PKOBYXMFSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000999203288 765147364 /nfs/dbraw/zinc/14/73/64/765147364.db2.gz ABKPLMGJLQDBFW-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001033096421 766206068 /nfs/dbraw/zinc/20/60/68/766206068.db2.gz MLKIUPIWHBSPLL-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001033096421 766206070 /nfs/dbraw/zinc/20/60/70/766206070.db2.gz MLKIUPIWHBSPLL-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001033096421 766206075 /nfs/dbraw/zinc/20/60/75/766206075.db2.gz MLKIUPIWHBSPLL-CEXWTWQISA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001034941245 766250738 /nfs/dbraw/zinc/25/07/38/766250738.db2.gz NTCPDXDITPOHCD-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH2+]Cc2ccccc2Cl)CC[N@H+]1C ZINC001045044598 766505244 /nfs/dbraw/zinc/50/52/44/766505244.db2.gz OWDNFUFRCJCONZ-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[NH+](Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001052393794 766900133 /nfs/dbraw/zinc/90/01/33/766900133.db2.gz QXPQHRDPRCIWFK-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3sccc3Cl)CC2)CC[NH+]1C ZINC001052393794 766900139 /nfs/dbraw/zinc/90/01/39/766900139.db2.gz QXPQHRDPRCIWFK-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3sccc3Cl)CC2)CC[NH+]1C ZINC001052393794 766900143 /nfs/dbraw/zinc/90/01/43/766900143.db2.gz QXPQHRDPRCIWFK-RBSFLKMASA-N 2 1 369.962 3.212 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)C1 ZINC000540147683 503690132 /nfs/dbraw/zinc/69/01/32/503690132.db2.gz ORCBSOHUANVYMH-IAGOWNOFSA-N 2 1 367.559 3.077 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)cc1 ZINC000567980511 505589561 /nfs/dbraw/zinc/58/95/61/505589561.db2.gz CKUVCUHCFHQCCN-GHTZIAJQSA-N 2 1 357.542 3.498 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857079 505596855 /nfs/dbraw/zinc/59/68/55/505596855.db2.gz MQHBJCMEIOINJB-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(I)c1 ZINC000570857079 505596858 /nfs/dbraw/zinc/59/68/58/505596858.db2.gz MQHBJCMEIOINJB-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(I)c1 ZINC000570857079 505596861 /nfs/dbraw/zinc/59/68/61/505596861.db2.gz MQHBJCMEIOINJB-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(I)c1 ZINC000570857079 505596865 /nfs/dbraw/zinc/59/68/65/505596865.db2.gz MQHBJCMEIOINJB-SWLSCSKDSA-N 2 1 358.267 3.063 20 0 FGADMP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000579768692 505616538 /nfs/dbraw/zinc/61/65/38/505616538.db2.gz QIANEGNXBUTBGC-FXAWDEMLSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000576902458 505620549 /nfs/dbraw/zinc/62/05/49/505620549.db2.gz AYFHZUXDKBFMFF-UHFFFAOYSA-N 2 1 371.378 3.470 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000037644496 494108109 /nfs/dbraw/zinc/10/81/09/494108109.db2.gz OKLKXVMMDSEPOW-STQMWFEESA-N 2 1 358.267 3.284 20 0 FGADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000568280352 505657959 /nfs/dbraw/zinc/65/79/59/505657959.db2.gz XORJUMDRZFJYAB-UHFFFAOYSA-N 2 1 374.312 3.022 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571210767 505680410 /nfs/dbraw/zinc/68/04/10/505680410.db2.gz WICCBRXSQQDTDJ-XMSQKQJNSA-N 2 1 370.541 3.095 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000075900309 493794511 /nfs/dbraw/zinc/79/45/11/493794511.db2.gz VTCABGDYIBYMFS-UZLBHIALSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@H]2c2ccccc2F)CC1 ZINC000075900309 493794515 /nfs/dbraw/zinc/79/45/15/493794515.db2.gz VTCABGDYIBYMFS-UZLBHIALSA-N 2 1 361.505 3.198 20 0 FGADMP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843827 493807602 /nfs/dbraw/zinc/80/76/02/493807602.db2.gz JDKVCCXGOMFOAR-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000574050920 505682420 /nfs/dbraw/zinc/68/24/20/505682420.db2.gz CGUNKPJHEXNKOE-UHFFFAOYSA-N 2 1 357.542 3.089 20 0 FGADMP C[NH+](Cc1ccccc1)CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000574050920 505682425 /nfs/dbraw/zinc/68/24/25/505682425.db2.gz CGUNKPJHEXNKOE-UHFFFAOYSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000081364632 493880859 /nfs/dbraw/zinc/88/08/59/493880859.db2.gz USNXBMKDNIGFOW-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(-n4ccnc4)cc3)CC2)C[C@H](C)O1 ZINC000069017159 493907198 /nfs/dbraw/zinc/90/71/98/493907198.db2.gz ZKVFVRNMCWWPDW-KDURUIRLSA-N 2 1 368.525 3.194 20 0 FGADMP Cc1nc(C)c(C[NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000076866733 493982317 /nfs/dbraw/zinc/98/23/17/493982317.db2.gz RECAQHASHVWNQX-UHFFFAOYSA-N 2 1 372.582 3.448 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cccs2)CC1 ZINC000052208298 494011138 /nfs/dbraw/zinc/01/11/38/494011138.db2.gz ZMFXYXZTHNBPMO-UHFFFAOYSA-N 2 1 351.560 3.150 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000052208461 494011795 /nfs/dbraw/zinc/01/17/95/494011795.db2.gz CRXNNHCSMSYCDX-IBGZPJMESA-N 2 1 352.494 3.009 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000052208318 494012137 /nfs/dbraw/zinc/01/21/37/494012137.db2.gz SJYCTHMHRAFBDY-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000063785211 494088309 /nfs/dbraw/zinc/08/83/09/494088309.db2.gz NWZTXHGVWUFCCY-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000063802689 494090054 /nfs/dbraw/zinc/09/00/54/494090054.db2.gz HUDYETDREPOTCP-SYYKKAFVSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000071923572 494108417 /nfs/dbraw/zinc/10/84/17/494108417.db2.gz AZLOXXRWVKJCIN-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000071923572 494108419 /nfs/dbraw/zinc/10/84/19/494108419.db2.gz AZLOXXRWVKJCIN-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000071923572 494108424 /nfs/dbraw/zinc/10/84/24/494108424.db2.gz AZLOXXRWVKJCIN-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000085387464 494118541 /nfs/dbraw/zinc/11/85/41/494118541.db2.gz MQEZZGARMJJWIN-DFQSSKMNSA-N 2 1 360.546 3.051 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccsc1 ZINC000085390493 494119319 /nfs/dbraw/zinc/11/93/19/494119319.db2.gz DBOAHMRDMABLDC-RYQLBKOJSA-N 2 1 366.575 3.113 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000072094578 494127327 /nfs/dbraw/zinc/12/73/27/494127327.db2.gz RFTPKPBETZRLOU-FCHUYYIVSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000086368758 494150701 /nfs/dbraw/zinc/15/07/01/494150701.db2.gz XVHTVPYNCWDASW-IAGOWNOFSA-N 2 1 369.513 3.273 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc3[nH]ccc3c2)c2cccs2)CC1 ZINC000580212558 505705473 /nfs/dbraw/zinc/70/54/73/505705473.db2.gz QGJZUCQSJXVRQO-IBGZPJMESA-N 2 1 354.523 3.308 20 0 FGADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000088695292 494255402 /nfs/dbraw/zinc/25/54/02/494255402.db2.gz QQHBCNZIAYNRCL-CUXKYVRBSA-N 2 1 359.558 3.301 20 0 FGADMP CC(C)C[N@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000065961020 494261987 /nfs/dbraw/zinc/26/19/87/494261987.db2.gz OBIACXRIBVMWOZ-UHFFFAOYSA-N 2 1 353.510 3.072 20 0 FGADMP CC(C)C[N@@H+](C)CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000065961020 494261990 /nfs/dbraw/zinc/26/19/90/494261990.db2.gz OBIACXRIBVMWOZ-UHFFFAOYSA-N 2 1 353.510 3.072 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000066191737 494287014 /nfs/dbraw/zinc/28/70/14/494287014.db2.gz NSEUWDPISMSXKB-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP Cc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c(OC(F)F)cc1C ZINC000580245628 505712429 /nfs/dbraw/zinc/71/24/29/505712429.db2.gz XIKYFPAKCYANMO-UHFFFAOYSA-N 2 1 369.500 3.363 20 0 FGADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(OC(F)F)cc1C ZINC000580245628 505712432 /nfs/dbraw/zinc/71/24/32/505712432.db2.gz XIKYFPAKCYANMO-UHFFFAOYSA-N 2 1 369.500 3.363 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000073102158 494322376 /nfs/dbraw/zinc/32/23/76/494322376.db2.gz NBIGALAKFYWPFG-HXUWFJFHSA-N 2 1 368.525 3.425 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000073102158 494322379 /nfs/dbraw/zinc/32/23/79/494322379.db2.gz NBIGALAKFYWPFG-HXUWFJFHSA-N 2 1 368.525 3.425 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000043860116 494325186 /nfs/dbraw/zinc/32/51/86/494325186.db2.gz IWUOQXUIABHXPU-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000574183634 505714771 /nfs/dbraw/zinc/71/47/71/505714771.db2.gz ORRRKRFLLGISBU-LJQANCHMSA-N 2 1 372.557 3.341 20 0 FGADMP COC(=O)COc1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000089730676 494350819 /nfs/dbraw/zinc/35/08/19/494350819.db2.gz VPZZOILLTJCLOO-UHFFFAOYSA-N 2 1 360.498 3.125 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@@H+](C)Cc3ccccc32)CC1 ZINC000073383924 494365659 /nfs/dbraw/zinc/36/56/59/494365659.db2.gz KVAOMJIYMFSWSW-UHFFFAOYSA-N 2 1 364.493 3.085 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[N@H+](C)Cc3ccccc32)CC1 ZINC000073383924 494365662 /nfs/dbraw/zinc/36/56/62/494365662.db2.gz KVAOMJIYMFSWSW-UHFFFAOYSA-N 2 1 364.493 3.085 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000073437396 494370552 /nfs/dbraw/zinc/37/05/52/494370552.db2.gz CUDZEBFMOYYPBP-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000073537753 494386300 /nfs/dbraw/zinc/38/63/00/494386300.db2.gz OTDNBFWDUYHULD-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000073537753 494386305 /nfs/dbraw/zinc/38/63/05/494386305.db2.gz OTDNBFWDUYHULD-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000073537753 494386308 /nfs/dbraw/zinc/38/63/08/494386308.db2.gz OTDNBFWDUYHULD-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCCOC3CCOCC3)CC2)cc1 ZINC000090082531 494438661 /nfs/dbraw/zinc/43/86/61/494438661.db2.gz XQXQAXZNVAPXFW-UHFFFAOYSA-N 2 1 364.505 3.008 20 0 FGADMP CSC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOCC1 ZINC000090112105 494443020 /nfs/dbraw/zinc/44/30/20/494443020.db2.gz OVXSMVXDUMTEQP-UHFFFAOYSA-N 2 1 366.546 3.334 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000073895177 494444586 /nfs/dbraw/zinc/44/45/86/494444586.db2.gz AKBYVBPJRFKMPY-SFHVURJKSA-N 2 1 354.922 3.022 20 0 FGADMP c1c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nnn1-c1ccccc1 ZINC000568544890 505719177 /nfs/dbraw/zinc/71/91/77/505719177.db2.gz WXGMKZMCRFCVIX-UHFFFAOYSA-N 2 1 353.514 3.355 20 0 FGADMP Cc1cc(NC(=O)[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(C)CC2)on1 ZINC000056155020 494463322 /nfs/dbraw/zinc/46/33/22/494463322.db2.gz MMAHCWSUBHGZMA-KRWDZBQOSA-N 2 1 370.497 3.332 20 0 FGADMP C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+](C)Cc1ccccc1 ZINC000074168718 494491735 /nfs/dbraw/zinc/49/17/35/494491735.db2.gz PYHXKSNCKWWDDA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@H+](C)Cc1ccccc1 ZINC000074168718 494491738 /nfs/dbraw/zinc/49/17/38/494491738.db2.gz PYHXKSNCKWWDDA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@@H+](C)Cc1ccccc1 ZINC000074168718 494491742 /nfs/dbraw/zinc/49/17/42/494491742.db2.gz PYHXKSNCKWWDDA-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[NH+]1CCC([NH2+]C2CCN(Cc3ccccc3Br)CC2)CC1 ZINC000091057033 494520973 /nfs/dbraw/zinc/52/09/73/494520973.db2.gz PNJOVJGZHYCNAY-UHFFFAOYSA-N 2 1 366.347 3.097 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000067414672 494536269 /nfs/dbraw/zinc/53/62/69/494536269.db2.gz DDYSUYAVNOHYQN-KRWDZBQOSA-N 2 1 371.529 3.121 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000067455977 494545509 /nfs/dbraw/zinc/54/55/09/494545509.db2.gz XXPFKQLOLVKVQV-HXUWFJFHSA-N 2 1 364.578 3.203 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000115795672 494623606 /nfs/dbraw/zinc/62/36/06/494623606.db2.gz ZEVUTPRGLBRLLN-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000115813818 494629623 /nfs/dbraw/zinc/62/96/23/494629623.db2.gz APTJRHPKVSMNKG-PZJWPPBQSA-N 2 1 372.557 3.115 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(C[NH+]3CCCCCC3)CC2)C1 ZINC000107983928 494631636 /nfs/dbraw/zinc/63/16/36/494631636.db2.gz PZRYBNYAIOESDO-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP CCCn1nc(C)c(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000092644901 494693664 /nfs/dbraw/zinc/69/36/64/494693664.db2.gz MHFOIDGORANVLF-UHFFFAOYSA-N 2 1 370.545 3.418 20 0 FGADMP CCCn1nc(C)c(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000092644901 494693673 /nfs/dbraw/zinc/69/36/73/494693673.db2.gz MHFOIDGORANVLF-UHFFFAOYSA-N 2 1 370.545 3.418 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000075181014 494701929 /nfs/dbraw/zinc/70/19/29/494701929.db2.gz QGOSXFWPGXRQDI-OAQYLSRUSA-N 2 1 351.494 3.095 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)C1 ZINC000108420610 494702576 /nfs/dbraw/zinc/70/25/76/494702576.db2.gz FMZNEAVMWCQACA-IBGZPJMESA-N 2 1 371.912 3.327 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)NCC1CCCCC1 ZINC000092821094 494764804 /nfs/dbraw/zinc/76/48/04/494764804.db2.gz YLLGMHPLIRFWTC-UHFFFAOYSA-N 2 1 372.557 3.316 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000075503420 494779379 /nfs/dbraw/zinc/77/93/79/494779379.db2.gz GOGNSNOMUIDDJM-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H](n3cccn3)C2)CC1 ZINC000092967635 494796501 /nfs/dbraw/zinc/79/65/01/494796501.db2.gz OHZJNMXXRBJIRB-NRFANRHFSA-N 2 1 367.541 3.252 20 0 FGADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCc1cccnc1 ZINC000092253794 494822191 /nfs/dbraw/zinc/82/21/91/494822191.db2.gz GDJXIDLFUQVYOU-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OCc1cccnc1 ZINC000092253794 494822198 /nfs/dbraw/zinc/82/21/98/494822198.db2.gz GDJXIDLFUQVYOU-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OCc1cccnc1 ZINC000092253794 494822202 /nfs/dbraw/zinc/82/22/02/494822202.db2.gz GDJXIDLFUQVYOU-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OCc1cccnc1 ZINC000092253794 494822207 /nfs/dbraw/zinc/82/22/07/494822207.db2.gz GDJXIDLFUQVYOU-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000127281790 494922386 /nfs/dbraw/zinc/92/23/86/494922386.db2.gz BEMASQHNBGIODK-INIZCTEOSA-N 2 1 350.503 3.485 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccccc1N(C)C ZINC000093942789 494937483 /nfs/dbraw/zinc/93/74/83/494937483.db2.gz FVWPAPUJIAOQOQ-IBGZPJMESA-N 2 1 366.553 3.351 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000127812800 495002349 /nfs/dbraw/zinc/00/23/49/495002349.db2.gz BVPHLAZSXDOSIV-CUWPLCDZSA-N 2 1 370.541 3.056 20 0 FGADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)CC1 ZINC000122694064 495017619 /nfs/dbraw/zinc/01/76/19/495017619.db2.gz FZFSGDWEJHZKSP-FQEVSTJZSA-N 2 1 365.949 3.177 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000097257386 495029536 /nfs/dbraw/zinc/02/95/36/495029536.db2.gz PKJUANWNFKVJOR-KRWDZBQOSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2OC(F)F)C1 ZINC000128008749 495030819 /nfs/dbraw/zinc/03/08/19/495030819.db2.gz ZZEAKHHGVUMLDS-KLHDSHLOSA-N 2 1 353.457 3.185 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1 ZINC000122812360 495034377 /nfs/dbraw/zinc/03/43/77/495034377.db2.gz WELMTUQGPGXHGL-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1 ZINC000122812360 495034380 /nfs/dbraw/zinc/03/43/80/495034380.db2.gz WELMTUQGPGXHGL-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000133635998 495038635 /nfs/dbraw/zinc/03/86/35/495038635.db2.gz LQTSLOHQIDDANZ-LALPHHSUSA-N 2 1 371.319 3.285 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000133635998 495038637 /nfs/dbraw/zinc/03/86/37/495038637.db2.gz LQTSLOHQIDDANZ-LALPHHSUSA-N 2 1 371.319 3.285 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000111231089 495051916 /nfs/dbraw/zinc/05/19/16/495051916.db2.gz DAQCYBCKODUSNJ-WMZOPIPTSA-N 2 1 367.484 3.451 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111231089 495051917 /nfs/dbraw/zinc/05/19/17/495051917.db2.gz DAQCYBCKODUSNJ-WMZOPIPTSA-N 2 1 367.484 3.451 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc([S@@](C)=O)cc3)CC2)[nH+]1 ZINC000128182623 495057171 /nfs/dbraw/zinc/05/71/71/495057171.db2.gz QWBSZUBEVDUSGW-CPJLOUKISA-N 2 1 357.523 3.447 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000111464518 495077870 /nfs/dbraw/zinc/07/78/70/495077870.db2.gz WNCSRMNGSMFKBK-NRFANRHFSA-N 2 1 372.557 3.133 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CC1 ZINC000128373238 495086871 /nfs/dbraw/zinc/08/68/71/495086871.db2.gz RNTCMFIGQCKRRR-QGZVFWFLSA-N 2 1 353.963 3.494 20 0 FGADMP CC[NH+]1CCN(CCC(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000101644723 495088314 /nfs/dbraw/zinc/08/83/14/495088314.db2.gz FTLRZXILDGHBBQ-IBGZPJMESA-N 2 1 372.557 3.027 20 0 FGADMP CCN1CC[NH+](CCC(=O)Nc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000101644723 495088318 /nfs/dbraw/zinc/08/83/18/495088318.db2.gz FTLRZXILDGHBBQ-IBGZPJMESA-N 2 1 372.557 3.027 20 0 FGADMP CC(=O)Oc1ccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000123245702 495102886 /nfs/dbraw/zinc/10/28/86/495102886.db2.gz OJOHLYVBDZUCQS-UHFFFAOYSA-N 2 1 368.481 3.120 20 0 FGADMP CC(=O)Oc1ccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1 ZINC000123245702 495102890 /nfs/dbraw/zinc/10/28/90/495102890.db2.gz OJOHLYVBDZUCQS-UHFFFAOYSA-N 2 1 368.481 3.120 20 0 FGADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OC(F)F ZINC000128513633 495109013 /nfs/dbraw/zinc/10/90/13/495109013.db2.gz QVAPUSKOLYTHBY-KRWDZBQOSA-N 2 1 355.473 3.356 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1SC ZINC000128523503 495110685 /nfs/dbraw/zinc/11/06/85/495110685.db2.gz FLOWDBDMYGJFQO-MRXNPFEDSA-N 2 1 351.560 3.095 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123337219 495116548 /nfs/dbraw/zinc/11/65/48/495116548.db2.gz QNCMHLFPHMLQQH-KRWDZBQOSA-N 2 1 361.530 3.466 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000134185167 495118545 /nfs/dbraw/zinc/11/85/45/495118545.db2.gz SXDKUORIEGIQNV-SFHVURJKSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000577605838 505763328 /nfs/dbraw/zinc/76/33/28/505763328.db2.gz XEPJFWLRGRINST-OXJNMPFZSA-N 2 1 358.530 3.303 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[NH+]1CCC(CC[NH3+])CC1 ZINC000580456877 505763803 /nfs/dbraw/zinc/76/38/03/505763803.db2.gz VELLSTLXDQTJEL-OAHLLOKOSA-N 2 1 364.559 3.258 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000119445789 495168664 /nfs/dbraw/zinc/16/86/64/495168664.db2.gz QDTSXGPXJPYPKN-UHFFFAOYSA-N 2 1 374.916 3.473 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000119445789 495168666 /nfs/dbraw/zinc/16/86/66/495168666.db2.gz QDTSXGPXJPYPKN-UHFFFAOYSA-N 2 1 374.916 3.473 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000103313871 495218576 /nfs/dbraw/zinc/21/85/76/495218576.db2.gz ZFYIBWWLECOGIG-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000112742454 495233763 /nfs/dbraw/zinc/23/37/63/495233763.db2.gz AOIYTIYGQCDQIK-IBGZPJMESA-N 2 1 372.557 3.156 20 0 FGADMP CC(C)OC(=O)c1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000135053884 495245057 /nfs/dbraw/zinc/24/50/57/495245057.db2.gz FGVBPBFDQPHCGX-UHFFFAOYSA-N 2 1 355.482 3.440 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)CC1 ZINC000135239041 495267187 /nfs/dbraw/zinc/26/71/87/495267187.db2.gz ALKJBCQXNJMRDH-UHFFFAOYSA-N 2 1 368.403 3.318 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000105083420 495334722 /nfs/dbraw/zinc/33/47/22/495334722.db2.gz FWMMIAQXOBOFDK-ICSRJNTNSA-N 2 1 360.546 3.101 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000105129869 495339640 /nfs/dbraw/zinc/33/96/40/495339640.db2.gz ZBDGJOLBJQTWGL-CTNGQTDRSA-N 2 1 372.557 3.243 20 0 FGADMP CCC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198058 495354108 /nfs/dbraw/zinc/35/41/08/495354108.db2.gz NPFXXUPYQZNQHM-UHFFFAOYSA-N 2 1 362.518 3.116 20 0 FGADMP CCC[N@@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114198058 495354114 /nfs/dbraw/zinc/35/41/14/495354114.db2.gz NPFXXUPYQZNQHM-UHFFFAOYSA-N 2 1 362.518 3.116 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@H](C)C1 ZINC000124869449 495357716 /nfs/dbraw/zinc/35/77/16/495357716.db2.gz FADDNBMVTRHQKK-YLJYHZDGSA-N 2 1 371.525 3.470 20 0 FGADMP Brc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000574457636 505777375 /nfs/dbraw/zinc/77/73/75/505777375.db2.gz RHHOFZKGZNLOFI-GASCZTMLSA-N 2 1 360.299 3.429 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000136313357 495371906 /nfs/dbraw/zinc/37/19/06/495371906.db2.gz KYKYZIMVALJCAO-UHFFFAOYSA-N 2 1 354.498 3.340 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000136313357 495371909 /nfs/dbraw/zinc/37/19/09/495371909.db2.gz KYKYZIMVALJCAO-UHFFFAOYSA-N 2 1 354.498 3.340 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000136375424 495375875 /nfs/dbraw/zinc/37/58/75/495375875.db2.gz MYCHERVNNKNDSE-VQIMIIECSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1 ZINC000136375424 495375879 /nfs/dbraw/zinc/37/58/79/495375879.db2.gz MYCHERVNNKNDSE-VQIMIIECSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1 ZINC000136375424 495375883 /nfs/dbraw/zinc/37/58/83/495375883.db2.gz MYCHERVNNKNDSE-VQIMIIECSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000136375424 495375887 /nfs/dbraw/zinc/37/58/87/495375887.db2.gz MYCHERVNNKNDSE-VQIMIIECSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000136375424 495375890 /nfs/dbraw/zinc/37/58/90/495375890.db2.gz MYCHERVNNKNDSE-VQIMIIECSA-N 2 1 361.555 3.437 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000130399949 495386633 /nfs/dbraw/zinc/38/66/33/495386633.db2.gz OJZFVQIPGROSJH-QFIPXVFZSA-N 2 1 356.485 3.026 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000130496983 495401136 /nfs/dbraw/zinc/40/11/36/495401136.db2.gz XCVRLKJBCZLNGL-INIZCTEOSA-N 2 1 368.481 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1 ZINC000130496983 495401142 /nfs/dbraw/zinc/40/11/42/495401142.db2.gz XCVRLKJBCZLNGL-INIZCTEOSA-N 2 1 368.481 3.479 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000138124033 495456516 /nfs/dbraw/zinc/45/65/16/495456516.db2.gz QFQHOUZNALPYEN-VCWRXUFXSA-N 2 1 366.594 3.164 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106522016 495461709 /nfs/dbraw/zinc/46/17/09/495461709.db2.gz SRQJNUVBWLFGTO-HXUWFJFHSA-N 2 1 370.541 3.099 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCN(CC(F)(F)F)C3)CC2)cc1 ZINC000125793358 495499614 /nfs/dbraw/zinc/49/96/14/495499614.db2.gz AYBKIMPGIIZUME-SFHVURJKSA-N 2 1 373.438 3.059 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(F)cc2)CC2CC2)CC1 ZINC000115561507 495517916 /nfs/dbraw/zinc/51/79/16/495517916.db2.gz AOINKYVECNSJIA-UHFFFAOYSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125921751 495518723 /nfs/dbraw/zinc/51/87/23/495518723.db2.gz ATXOWAFSTWXXDE-GUYCJALGSA-N 2 1 358.523 3.246 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccccc1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107528314 495528623 /nfs/dbraw/zinc/52/86/23/495528623.db2.gz LDXNMQYVUMPWRJ-LEWJYISDSA-N 2 1 355.526 3.128 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182386836 495542790 /nfs/dbraw/zinc/54/27/90/495542790.db2.gz MYJLECYPVWXJJG-ROUUACIJSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173521680 495571324 /nfs/dbraw/zinc/57/13/24/495571324.db2.gz AXBRTFRYAYLKJC-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179444589 495593582 /nfs/dbraw/zinc/59/35/82/495593582.db2.gz ANQLWLUSIVKACW-MRXNPFEDSA-N 2 1 374.451 3.095 20 0 FGADMP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179444589 495593587 /nfs/dbraw/zinc/59/35/87/495593587.db2.gz ANQLWLUSIVKACW-MRXNPFEDSA-N 2 1 374.451 3.095 20 0 FGADMP COC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cccc(C(F)(F)F)c1 ZINC000154399066 495604878 /nfs/dbraw/zinc/60/48/78/495604878.db2.gz RVHVSFDHHAWTCG-GOSISDBHSA-N 2 1 373.463 3.010 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185514505 495605673 /nfs/dbraw/zinc/60/56/73/495605673.db2.gz DMRWEJJVTNHPJN-UHFFFAOYSA-N 2 1 363.550 3.316 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2cc3ccccc3o2)CC1 ZINC000173618813 495617248 /nfs/dbraw/zinc/61/72/48/495617248.db2.gz WPYGUCCJXRGGPM-CVEARBPZSA-N 2 1 357.498 3.461 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1c(Cl)cccc1Cl ZINC000568859374 505794807 /nfs/dbraw/zinc/79/48/07/505794807.db2.gz JJEJKPXFDLRBDM-NRXISQOPSA-N 2 1 373.324 3.340 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000185678386 495675468 /nfs/dbraw/zinc/67/54/68/495675468.db2.gz ZMWRCPWGYPIJBV-CMKODMSKSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000185678386 495675469 /nfs/dbraw/zinc/67/54/69/495675469.db2.gz ZMWRCPWGYPIJBV-CMKODMSKSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[N@H+]1C1CC1 ZINC000154629114 495677396 /nfs/dbraw/zinc/67/73/96/495677396.db2.gz MPAHTIYHRDNKKW-XLIONFOSSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717913 495694279 /nfs/dbraw/zinc/69/42/79/495694279.db2.gz SNSSWMIHJHHRPZ-ZIFCJYIRSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717913 495694284 /nfs/dbraw/zinc/69/42/84/495694284.db2.gz SNSSWMIHJHHRPZ-ZIFCJYIRSA-N 2 1 355.526 3.207 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718050 495696323 /nfs/dbraw/zinc/69/63/23/495696323.db2.gz HOIGIKVCODXMDY-MOPGFXCFSA-N 2 1 351.579 3.370 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718050 495696326 /nfs/dbraw/zinc/69/63/26/495696326.db2.gz HOIGIKVCODXMDY-MOPGFXCFSA-N 2 1 351.579 3.370 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185756849 495713711 /nfs/dbraw/zinc/71/37/11/495713711.db2.gz ACTTWQCHSHJQKG-IEBWSBKVSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185756849 495713715 /nfs/dbraw/zinc/71/37/15/495713715.db2.gz ACTTWQCHSHJQKG-IEBWSBKVSA-N 2 1 355.526 3.208 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185766291 495717904 /nfs/dbraw/zinc/71/79/04/495717904.db2.gz HWFLYORZGUOIAF-SOLBZPMBSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185766291 495717906 /nfs/dbraw/zinc/71/79/06/495717906.db2.gz HWFLYORZGUOIAF-SOLBZPMBSA-N 2 1 371.525 3.459 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182893190 495745490 /nfs/dbraw/zinc/74/54/90/495745490.db2.gz AISOUULKXZADEB-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182893190 495745497 /nfs/dbraw/zinc/74/54/97/495745497.db2.gz AISOUULKXZADEB-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000151127296 495746314 /nfs/dbraw/zinc/74/63/14/495746314.db2.gz XEYQUTZCJKMYRF-DLBZAZTESA-N 2 1 365.949 3.399 20 0 FGADMP C[C@@H](NC(=O)N1CCC(CC[NH+](C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182937360 495765754 /nfs/dbraw/zinc/76/57/54/495765754.db2.gz XUOJHYFMARBGIZ-MJGOQNOKSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@@H]1C ZINC000183130487 495846270 /nfs/dbraw/zinc/84/62/70/495846270.db2.gz DUXNTEYVVVQZSM-OPYAIIAOSA-N 2 1 373.541 3.262 20 0 FGADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(N2CCCC2)cc1 ZINC000171386837 495849762 /nfs/dbraw/zinc/84/97/62/495849762.db2.gz MHJFRWQWPLAXMX-UHFFFAOYSA-N 2 1 370.541 3.033 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000183145218 495853207 /nfs/dbraw/zinc/85/32/07/495853207.db2.gz OMNAKIGIJQXZPK-GPJHCHHRSA-N 2 1 372.553 3.320 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000183187280 495872912 /nfs/dbraw/zinc/87/29/12/495872912.db2.gz DGKWFCDUAWADFE-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000183187280 495872915 /nfs/dbraw/zinc/87/29/15/495872915.db2.gz DGKWFCDUAWADFE-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000183187280 495872920 /nfs/dbraw/zinc/87/29/20/495872920.db2.gz DGKWFCDUAWADFE-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000183187106 495873185 /nfs/dbraw/zinc/87/31/85/495873185.db2.gz ILXRSRDEWYLDFF-XYJFISCASA-N 2 1 364.555 3.394 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000183187106 495873187 /nfs/dbraw/zinc/87/31/87/495873187.db2.gz ILXRSRDEWYLDFF-XYJFISCASA-N 2 1 364.555 3.394 20 0 FGADMP OC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000577869162 505809257 /nfs/dbraw/zinc/80/92/57/505809257.db2.gz YAKXNWOXZAOLOI-QFIPXVFZSA-N 2 1 362.517 3.303 20 0 FGADMP OC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)Cc2ccccc2C1 ZINC000577869162 505809258 /nfs/dbraw/zinc/80/92/58/505809258.db2.gz YAKXNWOXZAOLOI-QFIPXVFZSA-N 2 1 362.517 3.303 20 0 FGADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229823 495883072 /nfs/dbraw/zinc/88/30/72/495883072.db2.gz HEUYLGKFNPNHTD-RTBURBONSA-N 2 1 357.542 3.162 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000174253710 495883461 /nfs/dbraw/zinc/88/34/61/495883461.db2.gz AEOHLHHDRAMEQS-RTBURBONSA-N 2 1 364.578 3.014 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174406862 495946146 /nfs/dbraw/zinc/94/61/46/495946146.db2.gz BCRQKHQDYPDZBI-YJBOKZPZSA-N 2 1 352.906 3.329 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000174406862 495946150 /nfs/dbraw/zinc/94/61/50/495946150.db2.gz BCRQKHQDYPDZBI-YJBOKZPZSA-N 2 1 352.906 3.329 20 0 FGADMP CC(C)Cn1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cn1 ZINC000183392345 495960897 /nfs/dbraw/zinc/96/08/97/495960897.db2.gz BYVNSKMFLKCRBY-KDURUIRLSA-N 2 1 362.562 3.250 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180434367 495995313 /nfs/dbraw/zinc/99/53/13/495995313.db2.gz SPLPAHIZFVLCJL-OAQYLSRUSA-N 2 1 371.912 3.183 20 0 FGADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000155593887 496006594 /nfs/dbraw/zinc/00/65/94/496006594.db2.gz RCDAXUVYANKJNV-UWJYYQICSA-N 2 1 366.509 3.026 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)cc1 ZINC000177302823 496011427 /nfs/dbraw/zinc/01/14/27/496011427.db2.gz GWXIQNDHOBURJD-OAHLLOKOSA-N 2 1 354.336 3.127 20 0 FGADMP Cc1cccc(N2CCC([NH2+]C3CCN(C(=O)OC(C)(C)C)CC3)CC2)[nH+]1 ZINC000177347710 496027257 /nfs/dbraw/zinc/02/72/57/496027257.db2.gz UNFGVJCOKLVUBZ-UHFFFAOYSA-N 2 1 374.529 3.348 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000155739293 496052548 /nfs/dbraw/zinc/05/25/48/496052548.db2.gz SMVJVRJEDVGAAX-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)Cc2cn3ccccc3n2)c1 ZINC000171852613 496063721 /nfs/dbraw/zinc/06/37/21/496063721.db2.gz DJTVHBPEAHPLQE-UHFFFAOYSA-N 2 1 350.466 3.033 20 0 FGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000155894983 496099743 /nfs/dbraw/zinc/09/97/43/496099743.db2.gz PQESONPEDMKKRN-YSIASYRMSA-N 2 1 370.541 3.214 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000174782433 496104326 /nfs/dbraw/zinc/10/43/26/496104326.db2.gz KDZIXEKGXUYMGT-FRIKZZABSA-N 2 1 369.553 3.419 20 0 FGADMP Cc1c([C@@H](C)NC[C@@H]2CC[N@H+](C3CC3)C2)nnn1-c1cccc(Cl)c1 ZINC000152367556 496129010 /nfs/dbraw/zinc/12/90/10/496129010.db2.gz BUBIHEYTDNNRLP-HIFRSBDPSA-N 2 1 359.905 3.364 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000177621700 496135633 /nfs/dbraw/zinc/13/56/33/496135633.db2.gz FMBIRSYAFBMERJ-CTNGQTDRSA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000177621700 496135639 /nfs/dbraw/zinc/13/56/39/496135639.db2.gz FMBIRSYAFBMERJ-CTNGQTDRSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000177621700 496135641 /nfs/dbraw/zinc/13/56/41/496135641.db2.gz FMBIRSYAFBMERJ-CTNGQTDRSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000177621700 496135645 /nfs/dbraw/zinc/13/56/45/496135645.db2.gz FMBIRSYAFBMERJ-CTNGQTDRSA-N 2 1 355.526 3.156 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000174949569 496178506 /nfs/dbraw/zinc/17/85/06/496178506.db2.gz VEPJYGVCUFUWES-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000177846146 496221276 /nfs/dbraw/zinc/22/12/76/496221276.db2.gz VPGRAIPIQFJDEO-NRFANRHFSA-N 2 1 372.557 3.156 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)[C@@H]3CCOC3)CC2)cs1 ZINC000161789529 496238569 /nfs/dbraw/zinc/23/85/69/496238569.db2.gz OLOOFHFPWXXUEO-AEFFLSMTSA-N 2 1 351.560 3.322 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4c3cnn4C)CC2)cs1 ZINC000161796473 496239701 /nfs/dbraw/zinc/23/97/01/496239701.db2.gz JINSADQHJQUTBD-GOSISDBHSA-N 2 1 373.570 3.318 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156469978 496253263 /nfs/dbraw/zinc/25/32/63/496253263.db2.gz GVYWGDUFYTVRHB-PMACEKPBSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@@H+]1C ZINC000181128399 496280324 /nfs/dbraw/zinc/28/03/24/496280324.db2.gz RJJSHOIPWMYUHB-CMPLNLGQSA-N 2 1 351.800 3.205 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000181128399 496280325 /nfs/dbraw/zinc/28/03/25/496280325.db2.gz RJJSHOIPWMYUHB-CMPLNLGQSA-N 2 1 351.800 3.205 20 0 FGADMP CC[C@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000569055733 505839541 /nfs/dbraw/zinc/83/95/41/505839541.db2.gz PNOKCUPFKHIFEL-OAQYLSRUSA-N 2 1 359.558 3.476 20 0 FGADMP CC[C@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000569055733 505839542 /nfs/dbraw/zinc/83/95/42/505839542.db2.gz PNOKCUPFKHIFEL-OAQYLSRUSA-N 2 1 359.558 3.476 20 0 FGADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000569055733 505839548 /nfs/dbraw/zinc/83/95/48/505839548.db2.gz PNOKCUPFKHIFEL-OAQYLSRUSA-N 2 1 359.558 3.476 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)c2)C1 ZINC000156944680 496370849 /nfs/dbraw/zinc/37/08/49/496370849.db2.gz IIVOKDYYIHRJHV-BHDDXSALSA-N 2 1 369.553 3.442 20 0 FGADMP CC[NH+]1CCN(c2ccc(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)cc2F)CC1 ZINC000178219198 496375039 /nfs/dbraw/zinc/37/50/39/496375039.db2.gz MQIXZEWTMUUVOY-HNNXBMFYSA-N 2 1 370.472 3.240 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000157015857 496386378 /nfs/dbraw/zinc/38/63/78/496386378.db2.gz GEJAIPYAKWGOEP-WMZOPIPTSA-N 2 1 361.530 3.102 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000178272401 496395353 /nfs/dbraw/zinc/39/53/53/496395353.db2.gz WEIBZAMYTCHOGH-GOSISDBHSA-N 2 1 370.541 3.130 20 0 FGADMP Cc1ccc(N2CCC(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]c1 ZINC000178272401 496395357 /nfs/dbraw/zinc/39/53/57/496395357.db2.gz WEIBZAMYTCHOGH-GOSISDBHSA-N 2 1 370.541 3.130 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632707 496473475 /nfs/dbraw/zinc/47/34/75/496473475.db2.gz QPMXMEOFRVVTHF-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754846 505848348 /nfs/dbraw/zinc/84/83/48/505848348.db2.gz QUPQXPRQDKVADM-FCHUYYIVSA-N 2 1 350.506 3.377 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574754846 505848352 /nfs/dbraw/zinc/84/83/52/505848352.db2.gz QUPQXPRQDKVADM-FCHUYYIVSA-N 2 1 350.506 3.377 20 0 FGADMP C[C@H](CCNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000184844309 496553992 /nfs/dbraw/zinc/55/39/92/496553992.db2.gz AHFGJIALPXGYND-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181929359 496602419 /nfs/dbraw/zinc/60/24/19/496602419.db2.gz JGIUAJALIGZXNM-HOTGVXAUSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181929359 496602424 /nfs/dbraw/zinc/60/24/24/496602424.db2.gz JGIUAJALIGZXNM-HOTGVXAUSA-N 2 1 374.447 3.109 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3COc4ccccc4C3)CC2)cc1 ZINC000164314277 496604080 /nfs/dbraw/zinc/60/40/80/496604080.db2.gz NBWCMTDABILGCH-NRFANRHFSA-N 2 1 354.469 3.426 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000164658496 496626065 /nfs/dbraw/zinc/62/60/65/496626065.db2.gz YRJDXOGRPYTHFD-HNNXBMFYSA-N 2 1 364.515 3.084 20 0 FGADMP C[C@H]1CCCc2ccccc2[C@@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185086358 496652797 /nfs/dbraw/zinc/65/27/97/496652797.db2.gz VDODVLHBWNBBJS-LAUBAEHRSA-N 2 1 365.525 3.032 20 0 FGADMP C[C@H]1CCCc2ccccc2[C@H]1[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000185086391 496653299 /nfs/dbraw/zinc/65/32/99/496653299.db2.gz VDODVLHBWNBBJS-UWJYYQICSA-N 2 1 365.525 3.032 20 0 FGADMP CCCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000165495685 496660096 /nfs/dbraw/zinc/66/00/96/496660096.db2.gz LSIKZOGYXDLWCD-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000158260358 496662385 /nfs/dbraw/zinc/66/23/85/496662385.db2.gz ZGSBATQOVPGBDV-SJORKVTESA-N 2 1 364.555 3.395 20 0 FGADMP Cc1ccc(CN(C)C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)cc1 ZINC000176105470 496685541 /nfs/dbraw/zinc/68/55/41/496685541.db2.gz BNQDPAPLKXTGSS-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166444995 496686758 /nfs/dbraw/zinc/68/67/58/496686758.db2.gz AMLNBXHDIKTKSJ-HFSMHLIXSA-N 2 1 370.541 3.220 20 0 FGADMP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182345144 496730661 /nfs/dbraw/zinc/73/06/61/496730661.db2.gz ZWPMNHHKSFJTDA-CVEARBPZSA-N 2 1 364.578 3.248 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000247003883 496748527 /nfs/dbraw/zinc/74/85/27/496748527.db2.gz GXNMOTKQJANWMV-VAMGGRTRSA-N 2 1 366.594 3.022 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000194887661 496748564 /nfs/dbraw/zinc/74/85/64/496748564.db2.gz QZDBETNUWQOBJN-MJGOQNOKSA-N 2 1 363.550 3.027 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000194923659 496761212 /nfs/dbraw/zinc/76/12/12/496761212.db2.gz DVJBTNXQDZYJIB-IBGZPJMESA-N 2 1 373.516 3.028 20 0 FGADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000247061996 496766566 /nfs/dbraw/zinc/76/65/66/496766566.db2.gz PONDWBPJYRNQDB-YQFWSFKMSA-N 2 1 351.922 3.246 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000247064584 496768115 /nfs/dbraw/zinc/76/81/15/496768115.db2.gz NZVOHIGIAFCWNS-KCQAQPDRSA-N 2 1 360.420 3.455 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OCC(F)(F)F ZINC000247064584 496768121 /nfs/dbraw/zinc/76/81/21/496768121.db2.gz NZVOHIGIAFCWNS-KCQAQPDRSA-N 2 1 360.420 3.455 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000268748904 496772437 /nfs/dbraw/zinc/77/24/37/496772437.db2.gz BQNNFMYYMBYKAN-QRQLOZEOSA-N 2 1 369.475 3.371 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000268773974 496781043 /nfs/dbraw/zinc/78/10/43/496781043.db2.gz MTZPEQHXXCIGDN-NRSPTQNISA-N 2 1 365.525 3.088 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ncccn3)C2)CC[N@H+]1Cc1ccccc1 ZINC000268773974 496781048 /nfs/dbraw/zinc/78/10/48/496781048.db2.gz MTZPEQHXXCIGDN-NRSPTQNISA-N 2 1 365.525 3.088 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000247112578 496783248 /nfs/dbraw/zinc/78/32/48/496783248.db2.gz YMHGHIUIAAFTKL-PKOBYXMFSA-N 2 1 357.542 3.196 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783155 496783576 /nfs/dbraw/zinc/78/35/76/496783576.db2.gz JGODFSHLRGYXQZ-UWJYYQICSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783155 496783579 /nfs/dbraw/zinc/78/35/79/496783579.db2.gz JGODFSHLRGYXQZ-UWJYYQICSA-N 2 1 369.484 3.056 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000268784706 496785445 /nfs/dbraw/zinc/78/54/45/496785445.db2.gz JVVMSZKXDHIXSK-LPHOPBHVSA-N 2 1 352.482 3.154 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccccn3)c2)[C@@H](C)C1 ZINC000268784706 496785455 /nfs/dbraw/zinc/78/54/55/496785455.db2.gz JVVMSZKXDHIXSK-LPHOPBHVSA-N 2 1 352.482 3.154 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268795542 496788724 /nfs/dbraw/zinc/78/87/24/496788724.db2.gz HZNBJROCNLPNNV-UTKZUKDTSA-N 2 1 351.494 3.046 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000268795542 496788734 /nfs/dbraw/zinc/78/87/34/496788734.db2.gz HZNBJROCNLPNNV-UTKZUKDTSA-N 2 1 351.494 3.046 20 0 FGADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803199 496790575 /nfs/dbraw/zinc/79/05/75/496790575.db2.gz BNPLESYZBTWZEM-KGLIPLIRSA-N 2 1 360.470 3.065 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803199 496790577 /nfs/dbraw/zinc/79/05/77/496790577.db2.gz BNPLESYZBTWZEM-KGLIPLIRSA-N 2 1 360.470 3.065 20 0 FGADMP C[C@H](NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851240 496802602 /nfs/dbraw/zinc/80/26/02/496802602.db2.gz CDZHPILJGJYVJP-ICSRJNTNSA-N 2 1 353.510 3.162 20 0 FGADMP C[C@H](NC[C@H]1C[N@@H+](C)CCN1C)c1ccccc1OCc1ccccc1 ZINC000268851240 496802606 /nfs/dbraw/zinc/80/26/06/496802606.db2.gz CDZHPILJGJYVJP-ICSRJNTNSA-N 2 1 353.510 3.162 20 0 FGADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1OCC(=O)N(C)C ZINC000268852298 496803903 /nfs/dbraw/zinc/80/39/03/496803903.db2.gz BWFAHJPFSZQTQI-LJQANCHMSA-N 2 1 372.513 3.180 20 0 FGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(OC)c(OC)c1 ZINC000268851668 496804590 /nfs/dbraw/zinc/80/45/90/496804590.db2.gz FYCWCMDPBCUMHR-SFHVURJKSA-N 2 1 362.514 3.390 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000572003806 505867147 /nfs/dbraw/zinc/86/71/47/505867147.db2.gz SKFVRWUXVBYAOU-MSOLQXFVSA-N 2 1 357.542 3.221 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000572003945 505867310 /nfs/dbraw/zinc/86/73/10/505867310.db2.gz SKFVRWUXVBYAOU-QZTJIDSGSA-N 2 1 357.542 3.221 20 0 FGADMP COCCC[C@@H](C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000268872888 496810124 /nfs/dbraw/zinc/81/01/24/496810124.db2.gz UXRLKMPIEKVVJR-GOSISDBHSA-N 2 1 364.530 3.081 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1Cl ZINC000268893105 496816001 /nfs/dbraw/zinc/81/60/01/496816001.db2.gz MBBPNXJSVCVSKW-YOEHRIQHSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1Cl ZINC000268893105 496816005 /nfs/dbraw/zinc/81/60/05/496816005.db2.gz MBBPNXJSVCVSKW-YOEHRIQHSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1Cl ZINC000268893105 496816009 /nfs/dbraw/zinc/81/60/09/496816009.db2.gz MBBPNXJSVCVSKW-YOEHRIQHSA-N 2 1 365.905 3.093 20 0 FGADMP CCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000191567130 496816452 /nfs/dbraw/zinc/81/64/52/496816452.db2.gz NLBIUYBWOYVDBP-FQEVSTJZSA-N 2 1 374.573 3.142 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)CC[C@@H]3CCOC3)CC2)c1C ZINC000580919815 505868406 /nfs/dbraw/zinc/86/84/06/505868406.db2.gz XPXJEMRSLNPZPV-GOSISDBHSA-N 2 1 361.530 3.030 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)CC[C@@H]3CCOC3)CC2)c1C ZINC000580919815 505868408 /nfs/dbraw/zinc/86/84/08/505868408.db2.gz XPXJEMRSLNPZPV-GOSISDBHSA-N 2 1 361.530 3.030 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000247313272 496831520 /nfs/dbraw/zinc/83/15/20/496831520.db2.gz KECHYYFNYGUTMM-FUHWJXTLSA-N 2 1 366.575 3.114 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000268962065 496835950 /nfs/dbraw/zinc/83/59/50/496835950.db2.gz XOKKZMSTAPIUNA-BULFRSBZSA-N 2 1 354.494 3.229 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccccc4[C@H]3C)CC2)CC1 ZINC000572011509 505869266 /nfs/dbraw/zinc/86/92/66/505869266.db2.gz CXOGFEMVTMAPNQ-GOSISDBHSA-N 2 1 369.553 3.329 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000191831413 496903695 /nfs/dbraw/zinc/90/36/95/496903695.db2.gz MPUGYQTZQMSXAM-OAQYLSRUSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(Br)c1 ZINC000247949168 496931257 /nfs/dbraw/zinc/93/12/57/496931257.db2.gz DVHCQYXRHMHFJY-ZFWWWQNUSA-N 2 1 373.310 3.476 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247960506 496933841 /nfs/dbraw/zinc/93/38/41/496933841.db2.gz GDOOZTSYRQKHEX-YCPHGPKFSA-N 2 1 367.440 3.031 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(CC(=O)NCCc3ccc(C(C)(C)C)cc3)CC[C@@H]21 ZINC000248180810 496968942 /nfs/dbraw/zinc/96/89/42/496968942.db2.gz WJLRKAWSZPKCNS-FPOVZHCZSA-N 2 1 371.569 3.059 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198229 496971869 /nfs/dbraw/zinc/97/18/69/496971869.db2.gz XTXGMKOZSAVOCA-BDTNDASRSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248198229 496971875 /nfs/dbraw/zinc/97/18/75/496971875.db2.gz XTXGMKOZSAVOCA-BDTNDASRSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248198229 496971880 /nfs/dbraw/zinc/97/18/80/496971880.db2.gz XTXGMKOZSAVOCA-BDTNDASRSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198233 496971971 /nfs/dbraw/zinc/97/19/71/496971971.db2.gz XTXGMKOZSAVOCA-VSKRKVRLSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248198233 496971978 /nfs/dbraw/zinc/97/19/78/496971978.db2.gz XTXGMKOZSAVOCA-VSKRKVRLSA-N 2 1 360.542 3.006 20 0 FGADMP CC(C)COC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248198233 496971984 /nfs/dbraw/zinc/97/19/84/496971984.db2.gz XTXGMKOZSAVOCA-VSKRKVRLSA-N 2 1 360.542 3.006 20 0 FGADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678362 496988670 /nfs/dbraw/zinc/98/86/70/496988670.db2.gz ZGLMWPORJZTJNM-DYESRHJHSA-N 2 1 370.541 3.130 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)c1cccc(O)c1 ZINC000248399940 496996105 /nfs/dbraw/zinc/99/61/05/496996105.db2.gz PJNGUWXMLLHGMZ-DYESRHJHSA-N 2 1 369.509 3.194 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)c1cccc(O)c1 ZINC000248399940 496996108 /nfs/dbraw/zinc/99/61/08/496996108.db2.gz PJNGUWXMLLHGMZ-DYESRHJHSA-N 2 1 369.509 3.194 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H](C)[NH3+] ZINC000192114101 496998512 /nfs/dbraw/zinc/99/85/12/496998512.db2.gz NFFZIDYNESCQCH-NEPJUHHUSA-N 2 1 358.313 3.057 20 0 FGADMP C[C@H](CNC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C[NH+]1CCCCC1 ZINC000248407637 496999713 /nfs/dbraw/zinc/99/97/13/496999713.db2.gz UOFSFQPHQXNTHU-QRVBRYPASA-N 2 1 364.578 3.061 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000248411145 497001000 /nfs/dbraw/zinc/00/10/00/497001000.db2.gz YWBAAWLCCCKGRQ-KJJMTIBFSA-N 2 1 358.526 3.072 20 0 FGADMP CN(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1ccco1 ZINC000248412952 497002243 /nfs/dbraw/zinc/00/22/43/497002243.db2.gz KLENGEUVPGBRHN-DOIPELPJSA-N 2 1 353.510 3.383 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000248442763 497012765 /nfs/dbraw/zinc/01/27/65/497012765.db2.gz LBQGOBCCJWYXJT-FNAHDJPLSA-N 2 1 370.537 3.081 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(F)c1 ZINC000248461630 497020183 /nfs/dbraw/zinc/02/01/83/497020183.db2.gz XROAAMVOYQRXNZ-CRAIPNDOSA-N 2 1 358.457 3.252 20 0 FGADMP COc1cc(OC)cc(C2(F)CC[NH+](CCC[NH+]3CCCC3)CC2)c1 ZINC000572062149 505879997 /nfs/dbraw/zinc/87/99/97/505879997.db2.gz GYLIAROPDZLHBL-UHFFFAOYSA-N 2 1 350.478 3.450 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000248545503 497035680 /nfs/dbraw/zinc/03/56/80/497035680.db2.gz DLDKSNKGRQTQTN-SCTDSRPQSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000248545503 497035681 /nfs/dbraw/zinc/03/56/81/497035681.db2.gz DLDKSNKGRQTQTN-SCTDSRPQSA-N 2 1 371.525 3.043 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CCC4(CCCO4)CC3)cc2)CC1 ZINC000572064292 505880855 /nfs/dbraw/zinc/88/08/55/505880855.db2.gz IMRLRYBGRQUTOJ-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC(F)F ZINC000278371220 497091405 /nfs/dbraw/zinc/09/14/05/497091405.db2.gz BXCLYNHXNDZCCE-LSDHHAIUSA-N 2 1 372.456 3.448 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000248741478 497095321 /nfs/dbraw/zinc/09/53/21/497095321.db2.gz QYRUXWJFDDHRIH-PNBTUHDLSA-N 2 1 370.537 3.343 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248761833 497100241 /nfs/dbraw/zinc/10/02/41/497100241.db2.gz QSOUGYXQNGIWSL-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248761833 497100248 /nfs/dbraw/zinc/10/02/48/497100248.db2.gz QSOUGYXQNGIWSL-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248761833 497100256 /nfs/dbraw/zinc/10/02/56/497100256.db2.gz QSOUGYXQNGIWSL-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000248814397 497109291 /nfs/dbraw/zinc/10/92/91/497109291.db2.gz DEWCIDZNWBRELE-YZGWKJHDSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000248814397 497109294 /nfs/dbraw/zinc/10/92/94/497109294.db2.gz DEWCIDZNWBRELE-YZGWKJHDSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000248814397 497109298 /nfs/dbraw/zinc/10/92/98/497109298.db2.gz DEWCIDZNWBRELE-YZGWKJHDSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000248814397 497109299 /nfs/dbraw/zinc/10/92/99/497109299.db2.gz DEWCIDZNWBRELE-YZGWKJHDSA-N 2 1 356.510 3.457 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000236710163 497135868 /nfs/dbraw/zinc/13/58/68/497135868.db2.gz VULHLDVQDPJHEL-UHFFFAOYSA-N 2 1 371.569 3.278 20 0 FGADMP CCCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236756199 497141877 /nfs/dbraw/zinc/14/18/77/497141877.db2.gz RFLPHAZBGKUGLE-SFTDATJTSA-N 2 1 369.553 3.279 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H](C)[C@H]4CO)cc3)nc12 ZINC000249046383 497154111 /nfs/dbraw/zinc/15/41/11/497154111.db2.gz FCUJBJXXFFORFF-IIBYNOLFSA-N 2 1 365.477 3.424 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc(C[NH3+])cc1 ZINC000236896274 497164626 /nfs/dbraw/zinc/16/46/26/497164626.db2.gz JXHIBUHKKFOQRX-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000274786514 497164877 /nfs/dbraw/zinc/16/48/77/497164877.db2.gz AYNSXZVIMHZJKB-YFVAEKQCSA-N 2 1 374.550 3.126 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192640361 497172136 /nfs/dbraw/zinc/17/21/36/497172136.db2.gz DUGIIIDCUXAZSV-HXUWFJFHSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274889964 497191101 /nfs/dbraw/zinc/19/11/01/497191101.db2.gz JFQCWHRHYAOOIH-RXVVDRJESA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]([NH2+]Cc1cccnc1-n1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274905867 497196211 /nfs/dbraw/zinc/19/62/11/497196211.db2.gz MDWWYBIXORAJJE-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237371713 497227146 /nfs/dbraw/zinc/22/71/46/497227146.db2.gz CZAVHICKYMDICK-NQIIRXRSSA-N 2 1 351.494 3.200 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCCc4occc43)c2)C1 ZINC000192846397 497229649 /nfs/dbraw/zinc/22/96/49/497229649.db2.gz RIIZVJIKIYXPDJ-AZUAARDMSA-N 2 1 367.493 3.144 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@H]([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000237425829 497234218 /nfs/dbraw/zinc/23/42/18/497234218.db2.gz AAZUUVWLXNZLDB-LZJOCLMNSA-N 2 1 367.493 3.324 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000237576141 497258144 /nfs/dbraw/zinc/25/81/44/497258144.db2.gz UCCQWBZNNWBGLA-PYVWZIQOSA-N 2 1 371.525 3.155 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)CC1 ZINC000569277936 505894729 /nfs/dbraw/zinc/89/47/29/505894729.db2.gz NUAUMKPVSNJVFG-NJYVYQBISA-N 2 1 364.505 3.118 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cn1 ZINC000271197403 497288400 /nfs/dbraw/zinc/28/84/00/497288400.db2.gz AWYGURVHSNLWHR-GJZGRUSLSA-N 2 1 373.501 3.357 20 0 FGADMP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000237864917 497303987 /nfs/dbraw/zinc/30/39/87/497303987.db2.gz LWXIAWYXJGZRQW-KGLIPLIRSA-N 2 1 370.324 3.201 20 0 FGADMP CC(=O)Nc1ccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052225 497317263 /nfs/dbraw/zinc/31/72/63/497317263.db2.gz KFWMXPRQDDQTGG-OXJNMPFZSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052225 497317264 /nfs/dbraw/zinc/31/72/64/497317264.db2.gz KFWMXPRQDDQTGG-OXJNMPFZSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052225 497317266 /nfs/dbraw/zinc/31/72/66/497317266.db2.gz KFWMXPRQDDQTGG-OXJNMPFZSA-N 2 1 352.482 3.040 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000279052225 497317267 /nfs/dbraw/zinc/31/72/67/497317267.db2.gz KFWMXPRQDDQTGG-OXJNMPFZSA-N 2 1 352.482 3.040 20 0 FGADMP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000253351429 497325911 /nfs/dbraw/zinc/32/59/11/497325911.db2.gz KEFXCTIVBISGGW-SFHVURJKSA-N 2 1 368.525 3.048 20 0 FGADMP CCN(C)c1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)cn1 ZINC000253351429 497325917 /nfs/dbraw/zinc/32/59/17/497325917.db2.gz KEFXCTIVBISGGW-SFHVURJKSA-N 2 1 368.525 3.048 20 0 FGADMP C[C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203169 497376807 /nfs/dbraw/zinc/37/68/07/497376807.db2.gz ZZNZRWVUJLGNJP-CEXWTWQISA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275634734 497389562 /nfs/dbraw/zinc/38/95/62/497389562.db2.gz SOQJGFDZTQLUAH-HOTGVXAUSA-N 2 1 374.916 3.126 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245426721 497399483 /nfs/dbraw/zinc/39/94/83/497399483.db2.gz VGZWFLAJFQQCBX-PZJWPPBQSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245426721 497399488 /nfs/dbraw/zinc/39/94/88/497399488.db2.gz VGZWFLAJFQQCBX-PZJWPPBQSA-N 2 1 373.516 3.125 20 0 FGADMP CCCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261677049 497432438 /nfs/dbraw/zinc/43/24/38/497432438.db2.gz BCOSEIXRQKQMIZ-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+]C3CCC4(CCCCC4)CC3)cn2)CC1 ZINC000190378300 497455962 /nfs/dbraw/zinc/45/59/62/497455962.db2.gz LDUPJEPMVJARCR-UHFFFAOYSA-N 2 1 357.546 3.211 20 0 FGADMP c1c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261951837 497481730 /nfs/dbraw/zinc/48/17/30/497481730.db2.gz GADHHFFEUAMWAY-QHCPKHFHSA-N 2 1 373.504 3.179 20 0 FGADMP c1c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cccnc2)nn1Cc1ccccc1 ZINC000261951837 497481736 /nfs/dbraw/zinc/48/17/36/497481736.db2.gz GADHHFFEUAMWAY-QHCPKHFHSA-N 2 1 373.504 3.179 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000193887646 497511368 /nfs/dbraw/zinc/51/13/68/497511368.db2.gz GRZWYACZLACAFY-XIYVOTBMSA-N 2 1 356.510 3.218 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272137037 497545022 /nfs/dbraw/zinc/54/50/22/497545022.db2.gz ARHWQELWLHQUOI-UTKZUKDTSA-N 2 1 351.494 3.046 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000245862078 497553003 /nfs/dbraw/zinc/55/30/03/497553003.db2.gz CNUGZIHGIQUBIS-QHAWAJNXSA-N 2 1 370.541 3.092 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000245875754 497557092 /nfs/dbraw/zinc/55/70/92/497557092.db2.gz XXSIUFGSVIDIMF-UXHICEINSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000245924298 497573563 /nfs/dbraw/zinc/57/35/63/497573563.db2.gz NJWDBKBTVHVSFV-WOJBJXKFSA-N 2 1 364.578 3.301 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)c2)CCO1 ZINC000245933583 497577244 /nfs/dbraw/zinc/57/72/44/497577244.db2.gz SVNTYSBTRJVTHF-UMSONDCASA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)c2)CCO1 ZINC000245933583 497577247 /nfs/dbraw/zinc/57/72/47/497577247.db2.gz SVNTYSBTRJVTHF-UMSONDCASA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262631494 497587737 /nfs/dbraw/zinc/58/77/37/497587737.db2.gz FLCPAVBBKZZZER-FWZVCBSNSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000245967427 497587835 /nfs/dbraw/zinc/58/78/35/497587835.db2.gz VSXAKJSMKGCLNO-GUDVDZBRSA-N 2 1 357.542 3.134 20 0 FGADMP CC[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000262660009 497594301 /nfs/dbraw/zinc/59/43/01/497594301.db2.gz FUMHYGNTUSQDNC-YHYVQYDKSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262674396 497597476 /nfs/dbraw/zinc/59/74/76/497597476.db2.gz TTWCDKHHJYCGTR-BWAGFHJFSA-N 2 1 365.521 3.446 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2ccc(C[N@@H+]3CCC[C@@](C)(O)CC3)cc2)CC1 ZINC000279957084 497602118 /nfs/dbraw/zinc/60/21/18/497602118.db2.gz GWRPPXGIPWEWHG-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)C=Cc2c[nH]cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276579040 497604630 /nfs/dbraw/zinc/60/46/30/497604630.db2.gz LJQKDUORPUFIJM-NKDUUGKJSA-N 2 1 362.836 3.025 20 0 FGADMP CN1CC[C@@H](CNC(=O)C=Cc2c[nH]cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000276579040 497604636 /nfs/dbraw/zinc/60/46/36/497604636.db2.gz LJQKDUORPUFIJM-NKDUUGKJSA-N 2 1 362.836 3.025 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000246094328 497619642 /nfs/dbraw/zinc/61/96/42/497619642.db2.gz JMDOVZGDEJURNL-WMZOPIPTSA-N 2 1 358.448 3.273 20 0 FGADMP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(Br)c1 ZINC000575095722 505919735 /nfs/dbraw/zinc/91/97/35/505919735.db2.gz SAPGGJXWADXMBE-LRDDRELGSA-N 2 1 369.303 3.008 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)[C@H]2CCC[C@H]21 ZINC000572229119 505919858 /nfs/dbraw/zinc/91/98/58/505919858.db2.gz CRBQSPWGPZENHZ-VHDGCEQUSA-N 2 1 367.287 3.140 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)C(=O)N(Cc2ccccc2)C(C)C)C1 ZINC000246195665 497656915 /nfs/dbraw/zinc/65/69/15/497656915.db2.gz MAWSAFXEJRYYBM-TZIWHRDSSA-N 2 1 359.558 3.476 20 0 FGADMP CCOC(=O)c1ccc2c(c1)nc(CN(C)C[C@@H]1CCC[N@@H+](C)C1)n2CC ZINC000581154498 505921590 /nfs/dbraw/zinc/92/15/90/505921590.db2.gz JCNGNWIQWULHEJ-MRXNPFEDSA-N 2 1 372.513 3.007 20 0 FGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246276261 497681016 /nfs/dbraw/zinc/68/10/16/497681016.db2.gz APPXOQGJMIAHQW-FTRWYGJKSA-N 2 1 359.489 3.410 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@]12CCCO2 ZINC000272670676 497696577 /nfs/dbraw/zinc/69/65/77/497696577.db2.gz KKTQHGZBKLACHP-BDTNDASRSA-N 2 1 358.526 3.010 20 0 FGADMP C[C@@]1(O)CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000280257129 497698638 /nfs/dbraw/zinc/69/86/38/497698638.db2.gz XLNAJYIDNMWRSG-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP COCCN(C)c1ccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)cn1 ZINC000276966458 497702071 /nfs/dbraw/zinc/70/20/71/497702071.db2.gz NUKQRLLCGIYYGT-UHFFFAOYSA-N 2 1 370.541 3.294 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246348038 497703470 /nfs/dbraw/zinc/70/34/70/497703470.db2.gz JOSYUAHWYBHFJM-VAMGGRTRSA-N 2 1 364.578 3.157 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(OC)c1 ZINC000246349060 497704231 /nfs/dbraw/zinc/70/42/31/497704231.db2.gz HMBVFTYKUDHHOH-CWFSZBLJSA-N 2 1 362.514 3.122 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)[C@@H](C)C1 ZINC000246356920 497706304 /nfs/dbraw/zinc/70/63/04/497706304.db2.gz IDVJFLMUXRBTTC-VDGAXYAQSA-N 2 1 365.949 3.033 20 0 FGADMP c1csc(N2CCC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)CC2)n1 ZINC000272851913 497745108 /nfs/dbraw/zinc/74/51/08/497745108.db2.gz JTAZDAXJOIBTPL-LJQANCHMSA-N 2 1 370.566 3.266 20 0 FGADMP C[C@@H]1COCC[N@@H+]1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254406 505926891 /nfs/dbraw/zinc/92/68/91/505926891.db2.gz NQKMICOOKSFTDI-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@@H]1COCC[N@H+]1C1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000572254406 505926896 /nfs/dbraw/zinc/92/68/96/505926896.db2.gz NQKMICOOKSFTDI-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP Cc1cc(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cc(N2CCCC2)[nH+]1 ZINC000569417682 505929048 /nfs/dbraw/zinc/92/90/48/505929048.db2.gz YLZIBMUNPDBDOC-QZTJIDSGSA-N 2 1 373.545 3.052 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000246578610 497780422 /nfs/dbraw/zinc/78/04/22/497780422.db2.gz VNDUNEIJUMIXQZ-IOMROCGXSA-N 2 1 351.494 3.103 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000246689087 497800515 /nfs/dbraw/zinc/80/05/15/497800515.db2.gz MVBKEULSXUHSTI-FHWLQOOXSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000246689087 497800518 /nfs/dbraw/zinc/80/05/18/497800518.db2.gz MVBKEULSXUHSTI-FHWLQOOXSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689087 497800522 /nfs/dbraw/zinc/80/05/22/497800522.db2.gz MVBKEULSXUHSTI-FHWLQOOXSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689087 497800524 /nfs/dbraw/zinc/80/05/24/497800524.db2.gz MVBKEULSXUHSTI-FHWLQOOXSA-N 2 1 367.459 3.496 20 0 FGADMP C[C@H](O)C[C@@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000246751817 497808028 /nfs/dbraw/zinc/80/80/28/497808028.db2.gz QGWKHRDSVPNGHR-GPHNJDIKSA-N 2 1 360.542 3.157 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246816623 497813297 /nfs/dbraw/zinc/81/32/97/497813297.db2.gz NNWGMLCMMUSCNM-UNMCSNQZSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)C[C@@H](C)O1 ZINC000263766749 497814239 /nfs/dbraw/zinc/81/42/39/497814239.db2.gz ROMBNFWJKATLNG-IAGOWNOFSA-N 2 1 370.497 3.058 20 0 FGADMP Cc1nccn1CCC[N@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000295946785 497864034 /nfs/dbraw/zinc/86/40/34/497864034.db2.gz GSSHVVHPKJWGSA-UHFFFAOYSA-N 2 1 362.905 3.204 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(Cl)cccc1N1CCOCC1 ZINC000295946785 497864041 /nfs/dbraw/zinc/86/40/41/497864041.db2.gz GSSHVVHPKJWGSA-UHFFFAOYSA-N 2 1 362.905 3.204 20 0 FGADMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000364268969 497872037 /nfs/dbraw/zinc/87/20/37/497872037.db2.gz XZVKXQABLVKFEW-QFBILLFUSA-N 2 1 354.502 3.002 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000569493485 505947820 /nfs/dbraw/zinc/94/78/20/505947820.db2.gz SFHKCDOVAYEBFA-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000569493485 505947822 /nfs/dbraw/zinc/94/78/22/505947822.db2.gz SFHKCDOVAYEBFA-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000569493485 505947824 /nfs/dbraw/zinc/94/78/24/505947824.db2.gz SFHKCDOVAYEBFA-MOPGFXCFSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)CS1 ZINC000575235343 505948067 /nfs/dbraw/zinc/94/80/67/505948067.db2.gz PEUJPMRAGGXPNQ-BQFCYCMXSA-N 2 1 353.601 3.156 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1Cl ZINC000572374080 505953885 /nfs/dbraw/zinc/95/38/85/505953885.db2.gz MIDGIFZPVKTELP-HYVNUMGLSA-N 2 1 370.946 3.144 20 0 FGADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1OCC(F)F ZINC000288984103 497968825 /nfs/dbraw/zinc/96/88/25/497968825.db2.gz CRRJHOFBTQUASK-AWEZNQCLSA-N 2 1 372.456 3.121 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(OC)c1OCC(F)F ZINC000288984103 497968827 /nfs/dbraw/zinc/96/88/27/497968827.db2.gz CRRJHOFBTQUASK-AWEZNQCLSA-N 2 1 372.456 3.121 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(OC)c1OCC(F)F ZINC000288984103 497968834 /nfs/dbraw/zinc/96/88/34/497968834.db2.gz CRRJHOFBTQUASK-AWEZNQCLSA-N 2 1 372.456 3.121 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OCC(F)F ZINC000288984103 497968837 /nfs/dbraw/zinc/96/88/37/497968837.db2.gz CRRJHOFBTQUASK-AWEZNQCLSA-N 2 1 372.456 3.121 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000285218661 498025013 /nfs/dbraw/zinc/02/50/13/498025013.db2.gz XKUQPDYAFXFGMU-HKUYNNGSSA-N 2 1 355.526 3.208 20 0 FGADMP C[C@@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]c2cc(F)ccc12 ZINC000301283238 498036579 /nfs/dbraw/zinc/03/65/79/498036579.db2.gz LNVWZPMOSFZOCF-INIZCTEOSA-N 2 1 365.456 3.392 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562907 498130782 /nfs/dbraw/zinc/13/07/82/498130782.db2.gz NGVDMVJPGYPIRD-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562907 498130776 /nfs/dbraw/zinc/13/07/76/498130776.db2.gz NGVDMVJPGYPIRD-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562907 498130790 /nfs/dbraw/zinc/13/07/90/498130790.db2.gz NGVDMVJPGYPIRD-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CC12CCC2 ZINC000285562907 498130796 /nfs/dbraw/zinc/13/07/96/498130796.db2.gz NGVDMVJPGYPIRD-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)CC2 ZINC000578633407 505985191 /nfs/dbraw/zinc/98/51/91/505985191.db2.gz NNAZXJNZIQFUCU-HXUWFJFHSA-N 2 1 366.509 3.056 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)c2ccc(F)cc2C1 ZINC000364868357 498182833 /nfs/dbraw/zinc/18/28/33/498182833.db2.gz DIMHEMSDARBJIN-HXUWFJFHSA-N 2 1 358.461 3.194 20 0 FGADMP C[C@@H](NC[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1nccc2ccccc21 ZINC000289724905 498266258 /nfs/dbraw/zinc/26/62/58/498266258.db2.gz LKMYOAVUDBKDTH-DYESRHJHSA-N 2 1 361.489 3.305 20 0 FGADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC(=O)C1CC1 ZINC000289768641 498284715 /nfs/dbraw/zinc/28/47/15/498284715.db2.gz REIMHHBQTVEAGG-JWTNVVGKSA-N 2 1 358.482 3.068 20 0 FGADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1OC(=O)C1CC1 ZINC000289768641 498284722 /nfs/dbraw/zinc/28/47/22/498284722.db2.gz REIMHHBQTVEAGG-JWTNVVGKSA-N 2 1 358.482 3.068 20 0 FGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC(=O)C1CC1 ZINC000289768641 498284727 /nfs/dbraw/zinc/28/47/27/498284727.db2.gz REIMHHBQTVEAGG-JWTNVVGKSA-N 2 1 358.482 3.068 20 0 FGADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC(=O)C1CC1 ZINC000289768641 498284733 /nfs/dbraw/zinc/28/47/33/498284733.db2.gz REIMHHBQTVEAGG-JWTNVVGKSA-N 2 1 358.482 3.068 20 0 FGADMP C[C@@H]1C[C@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169952 498292391 /nfs/dbraw/zinc/29/23/91/498292391.db2.gz WCQLQFOQHRCSFT-UIFIKXQLSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169952 498292394 /nfs/dbraw/zinc/29/23/94/498292394.db2.gz WCQLQFOQHRCSFT-UIFIKXQLSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169952 498292395 /nfs/dbraw/zinc/29/23/95/498292395.db2.gz WCQLQFOQHRCSFT-UIFIKXQLSA-N 2 1 351.494 3.246 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3[C@H](C[NH+](C)[C@@H]3c3ccccc3)C2)c(-c2cccnc2)n1 ZINC000360778101 498308557 /nfs/dbraw/zinc/30/85/57/498308557.db2.gz UHDHJGAPOHFICH-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3[C@H](C[NH+](C)[C@@H]3c3ccccc3)C2)c(-c2cccnc2)n1 ZINC000360778101 498308564 /nfs/dbraw/zinc/30/85/64/498308564.db2.gz UHDHJGAPOHFICH-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)C[N@H+](C)[C@@H]3c2ccccc2)c(-c2cccnc2)n1 ZINC000360778101 498308572 /nfs/dbraw/zinc/30/85/72/498308572.db2.gz UHDHJGAPOHFICH-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3[C@@H](C2)C[N@@H+](C)[C@@H]3c2ccccc2)c(-c2cccnc2)n1 ZINC000360778101 498308579 /nfs/dbraw/zinc/30/85/79/498308579.db2.gz UHDHJGAPOHFICH-UNWVZKJWSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778098 498309900 /nfs/dbraw/zinc/30/99/00/498309900.db2.gz UHDHJGAPOHFICH-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778098 498309906 /nfs/dbraw/zinc/30/99/06/498309906.db2.gz UHDHJGAPOHFICH-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778098 498309912 /nfs/dbraw/zinc/30/99/12/498309912.db2.gz UHDHJGAPOHFICH-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2cccnc2)n1 ZINC000360778098 498309923 /nfs/dbraw/zinc/30/99/23/498309923.db2.gz UHDHJGAPOHFICH-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cc1nn2c(C[NH2+][C@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125519 498347938 /nfs/dbraw/zinc/34/79/38/498347938.db2.gz SWOMVPRQNDWZBB-KDOFPFPSSA-N 2 1 369.538 3.408 20 0 FGADMP Cc1nn2c(C[NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125519 498347942 /nfs/dbraw/zinc/34/79/42/498347942.db2.gz SWOMVPRQNDWZBB-KDOFPFPSSA-N 2 1 369.538 3.408 20 0 FGADMP C[C@@H]([NH2+]CC1CCC2(CC1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000365204408 498350294 /nfs/dbraw/zinc/35/02/94/498350294.db2.gz QGVUVHCIPMVWSW-NQIIRXRSSA-N 2 1 358.526 3.420 20 0 FGADMP CN(C)c1ncc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000361154242 498351914 /nfs/dbraw/zinc/35/19/14/498351914.db2.gz OAKDXROINAJGAR-HXUWFJFHSA-N 2 1 353.514 3.029 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000282018317 498360502 /nfs/dbraw/zinc/36/05/02/498360502.db2.gz NHWUYNKABSUVDH-GFCCVEGCSA-N 2 1 365.503 3.421 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000581602946 506026125 /nfs/dbraw/zinc/02/61/25/506026125.db2.gz BYQYBWAALOSRID-AWEZNQCLSA-N 2 1 372.296 3.308 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCO1 ZINC000297305659 498398374 /nfs/dbraw/zinc/39/83/74/498398374.db2.gz BIDZLQXFKBSBHN-GOSISDBHSA-N 2 1 357.542 3.408 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000286488339 498414010 /nfs/dbraw/zinc/41/40/10/498414010.db2.gz LSFSRGRVUADFSL-ZDUSSCGKSA-N 2 1 358.877 3.160 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)[C@H]1c1cccs1 ZINC000361717096 498423848 /nfs/dbraw/zinc/42/38/48/498423848.db2.gz AXUIBBQJUFXXSI-ATIFRJIPSA-N 2 1 361.555 3.168 20 0 FGADMP Cc1c(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc12 ZINC000575923548 506033751 /nfs/dbraw/zinc/03/37/51/506033751.db2.gz VQEMXVYNXDNEJR-OAHLLOKOSA-N 2 1 359.901 3.384 20 0 FGADMP Cc1c(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)nc2ccccc12 ZINC000575923548 506033754 /nfs/dbraw/zinc/03/37/54/506033754.db2.gz VQEMXVYNXDNEJR-OAHLLOKOSA-N 2 1 359.901 3.384 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(CC[NH+]3CCCC3)cc1)C2 ZINC000290243923 498480828 /nfs/dbraw/zinc/48/08/28/498480828.db2.gz CCNZXHCMTLXKAX-GOSISDBHSA-N 2 1 352.482 3.031 20 0 FGADMP CCOC(=O)c1c(C)c2ccccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000578892350 506046279 /nfs/dbraw/zinc/04/62/79/506046279.db2.gz RHOPGBLMUODSBC-CALCHBBNSA-N 2 1 367.493 3.151 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cc(C)n(C)n2)cc1OC ZINC000282445852 498515780 /nfs/dbraw/zinc/51/57/80/498515780.db2.gz ZOMLIHGLYYARGO-QGZVFWFLSA-N 2 1 374.529 3.309 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000290433210 498550532 /nfs/dbraw/zinc/55/05/32/498550532.db2.gz VFRXEKKSYGBZRD-CPHWIANGSA-N 2 1 364.489 3.266 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000290433210 498550539 /nfs/dbraw/zinc/55/05/39/498550539.db2.gz VFRXEKKSYGBZRD-CPHWIANGSA-N 2 1 364.489 3.266 20 0 FGADMP Cc1ccc(NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000362852298 498566547 /nfs/dbraw/zinc/56/65/47/498566547.db2.gz PUSFWJCAWZDGOQ-UHFFFAOYSA-N 2 1 358.530 3.313 20 0 FGADMP C[C@@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[N@@H+](C)C1CC1 ZINC000363010304 498602519 /nfs/dbraw/zinc/60/25/19/498602519.db2.gz JSKOVZXWTAVOGB-ZDUSSCGKSA-N 2 1 369.962 3.212 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000581809673 506067612 /nfs/dbraw/zinc/06/76/12/506067612.db2.gz PUNPGPMSHAOHLL-HLIPFELVSA-N 2 1 368.949 3.346 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000282789862 498655177 /nfs/dbraw/zinc/65/51/77/498655177.db2.gz YJHIGDMPCJLNHN-UHFFFAOYSA-N 2 1 370.541 3.375 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303346395 498666805 /nfs/dbraw/zinc/66/68/05/498666805.db2.gz ZPWKLOVCMHUCFO-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363139715 498670343 /nfs/dbraw/zinc/67/03/43/498670343.db2.gz WANCZSGNVGVJFJ-ZWKOTPCHSA-N 2 1 359.539 3.048 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000363139715 498670349 /nfs/dbraw/zinc/67/03/49/498670349.db2.gz WANCZSGNVGVJFJ-ZWKOTPCHSA-N 2 1 359.539 3.048 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1O ZINC000290819171 498688485 /nfs/dbraw/zinc/68/84/85/498688485.db2.gz WWKDBELBKWNXEQ-OXQOHEQNSA-N 2 1 370.493 3.208 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000294462546 498699852 /nfs/dbraw/zinc/69/98/52/498699852.db2.gz DSOZMZGFDZGZMU-MRXNPFEDSA-N 2 1 363.465 3.127 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH2+]Cc3cn4cccnc4n3)cc2)C1 ZINC000298223395 498700246 /nfs/dbraw/zinc/70/02/46/498700246.db2.gz AQROGTMBQHUNDO-ROUUACIJSA-N 2 1 363.509 3.497 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1cccc(C(N)=O)c1 ZINC000282993312 498739201 /nfs/dbraw/zinc/73/92/01/498739201.db2.gz NCQXJRVUFZNFBQ-FQEVSTJZSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000282993312 498739205 /nfs/dbraw/zinc/73/92/05/498739205.db2.gz NCQXJRVUFZNFBQ-FQEVSTJZSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000282993312 498739211 /nfs/dbraw/zinc/73/92/11/498739211.db2.gz NCQXJRVUFZNFBQ-FQEVSTJZSA-N 2 1 351.494 3.176 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000282993312 498739216 /nfs/dbraw/zinc/73/92/16/498739216.db2.gz NCQXJRVUFZNFBQ-FQEVSTJZSA-N 2 1 351.494 3.176 20 0 FGADMP C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000312681372 498761846 /nfs/dbraw/zinc/76/18/46/498761846.db2.gz KYZYYHQSKAUWKR-JZZBYWGLSA-N 2 1 365.521 3.349 20 0 FGADMP C[C@H](NC(=O)CC[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000312682409 498761888 /nfs/dbraw/zinc/76/18/88/498761888.db2.gz LFWIKXNYFQLQHS-NYVOZVTQSA-N 2 1 365.521 3.493 20 0 FGADMP C[N@@H+](CCC[NH2+]C[C@H](O)COc1cccc2[nH]ccc21)C1CCCCC1 ZINC000570102817 506091476 /nfs/dbraw/zinc/09/14/76/506091476.db2.gz ZRVZMPGEJDCSLZ-SFHVURJKSA-N 2 1 359.514 3.152 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)[C@@H](C)C1 ZINC000287618755 498816376 /nfs/dbraw/zinc/81/63/76/498816376.db2.gz JRJIIYSERAWAJR-WFXMLNOXSA-N 2 1 371.529 3.055 20 0 FGADMP C[C@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000287642782 498822734 /nfs/dbraw/zinc/82/27/34/498822734.db2.gz NUQOGDQWOZKOFI-OKCRPCIYSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000287642782 498822744 /nfs/dbraw/zinc/82/27/44/498822744.db2.gz NUQOGDQWOZKOFI-OKCRPCIYSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000287642782 498822741 /nfs/dbraw/zinc/82/27/41/498822741.db2.gz NUQOGDQWOZKOFI-OKCRPCIYSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675533 498833110 /nfs/dbraw/zinc/83/31/10/498833110.db2.gz MLFJYKNQOKTVDL-JLSDUUJJSA-N 2 1 372.431 3.107 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675533 498833116 /nfs/dbraw/zinc/83/31/16/498833116.db2.gz MLFJYKNQOKTVDL-JLSDUUJJSA-N 2 1 372.431 3.107 20 0 FGADMP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](C)[C@H]3c3cccs3)cc2sc1=O ZINC000366275132 498852886 /nfs/dbraw/zinc/85/28/86/498852886.db2.gz ARPZSJMBIVNUHC-RDTXWAMCSA-N 2 1 373.547 3.444 20 0 FGADMP CCn1nc(C)c(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)c1C ZINC000581963757 506101162 /nfs/dbraw/zinc/10/11/62/506101162.db2.gz LUWFJNYADDBJEI-UHFFFAOYSA-N 2 1 358.505 3.456 20 0 FGADMP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccc(C)cc1 ZINC000366296334 498863587 /nfs/dbraw/zinc/86/35/87/498863587.db2.gz SCBZNDBUKIMJTA-OAQYLSRUSA-N 2 1 369.557 3.420 20 0 FGADMP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000366453456 498934463 /nfs/dbraw/zinc/93/44/63/498934463.db2.gz BEWIBYDWXQGSPL-LAUBAEHRSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)CC1 ZINC000366453456 498934467 /nfs/dbraw/zinc/93/44/67/498934467.db2.gz BEWIBYDWXQGSPL-LAUBAEHRSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000366453456 498934471 /nfs/dbraw/zinc/93/44/71/498934471.db2.gz BEWIBYDWXQGSPL-LAUBAEHRSA-N 2 1 373.516 3.265 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000366453456 498934476 /nfs/dbraw/zinc/93/44/76/498934476.db2.gz BEWIBYDWXQGSPL-LAUBAEHRSA-N 2 1 373.516 3.265 20 0 FGADMP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000573093849 506117642 /nfs/dbraw/zinc/11/76/42/506117642.db2.gz UNDUHXMDFVJXKM-FKBYEOEOSA-N 2 1 369.553 3.074 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000582052536 506122541 /nfs/dbraw/zinc/12/25/41/506122541.db2.gz FRFDKCROXSHOSY-JBACZVJFSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)C1 ZINC000333589275 499037081 /nfs/dbraw/zinc/03/70/81/499037081.db2.gz AWLMECZKYXZPAS-IIMDRIAPSA-N 2 1 372.557 3.043 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000576320784 506129867 /nfs/dbraw/zinc/12/98/67/506129867.db2.gz LTONTQKWGHIFAO-QHCPKHFHSA-N 2 1 350.506 3.148 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196583 499066517 /nfs/dbraw/zinc/06/65/17/499066517.db2.gz SESIWDUNDRESSO-PKTZIBPZSA-N 2 1 371.569 3.228 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000576327804 506131403 /nfs/dbraw/zinc/13/14/03/506131403.db2.gz CBMXVFVAMWLOSY-HKUYNNGSSA-N 2 1 367.497 3.271 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279092 506131481 /nfs/dbraw/zinc/13/14/81/506131481.db2.gz FHPIADBECBPRIJ-TUNNFDKTSA-N 2 1 356.510 3.111 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)CC23CC3)cc1 ZINC000570279092 506131482 /nfs/dbraw/zinc/13/14/82/506131482.db2.gz FHPIADBECBPRIJ-TUNNFDKTSA-N 2 1 356.510 3.111 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2C1 ZINC000372513648 499136838 /nfs/dbraw/zinc/13/68/38/499136838.db2.gz PKARVGCDJNAOJL-VBKZILBWSA-N 2 1 358.461 3.050 20 0 FGADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000370092189 499178837 /nfs/dbraw/zinc/17/88/37/499178837.db2.gz MBYPQQINBBOUJE-PGRDOPGGSA-N 2 1 353.510 3.454 20 0 FGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000370092190 499178899 /nfs/dbraw/zinc/17/88/99/499178899.db2.gz MBYPQQINBBOUJE-XMSQKQJNSA-N 2 1 353.510 3.454 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000573175216 506136236 /nfs/dbraw/zinc/13/62/36/506136236.db2.gz XJUIXQDOHADGLG-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC3(CCN(C)C3=O)CC2)cc1 ZINC000367372363 499190175 /nfs/dbraw/zinc/19/01/75/499190175.db2.gz TVRDCLVMNMFIKT-MRXNPFEDSA-N 2 1 352.482 3.186 20 0 FGADMP C[N@@H+](Cc1cnc([C@H]2CCCO2)s1)C1CCN(c2ccccn2)CC1 ZINC000367422955 499197505 /nfs/dbraw/zinc/19/75/05/499197505.db2.gz OKMCNUZLSXHGMK-QGZVFWFLSA-N 2 1 358.511 3.490 20 0 FGADMP CN(Cc1cnc([C@H]2CCCO2)s1)C1CCN(c2ccccn2)CC1 ZINC000367422955 499197507 /nfs/dbraw/zinc/19/75/07/499197507.db2.gz OKMCNUZLSXHGMK-QGZVFWFLSA-N 2 1 358.511 3.490 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3cnc(C(C)(C)C)nc3)CC2)nc(C)[nH+]1 ZINC000367437332 499199082 /nfs/dbraw/zinc/19/90/82/499199082.db2.gz INWOWLGYOHAOMA-UHFFFAOYSA-N 2 1 368.529 3.282 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3cnc(C(C)(C)C)nc3)CC2)nc(C)[nH+]1 ZINC000367437332 499199083 /nfs/dbraw/zinc/19/90/83/499199083.db2.gz INWOWLGYOHAOMA-UHFFFAOYSA-N 2 1 368.529 3.282 20 0 FGADMP COc1cccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1OC ZINC000370407941 499217453 /nfs/dbraw/zinc/21/74/53/499217453.db2.gz SMZSPELGOUCVMF-PXNSSMCTSA-N 2 1 355.482 3.224 20 0 FGADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1OC ZINC000370407941 499217455 /nfs/dbraw/zinc/21/74/55/499217455.db2.gz SMZSPELGOUCVMF-PXNSSMCTSA-N 2 1 355.482 3.224 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000367620097 499218515 /nfs/dbraw/zinc/21/85/15/499218515.db2.gz PZYIAVMCNLAVFS-KWXGJIJISA-N 2 1 351.535 3.285 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000370661958 499241258 /nfs/dbraw/zinc/24/12/58/499241258.db2.gz XMQGTKMAPHXYJX-LJQANCHMSA-N 3 1 373.585 3.412 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370698717 499245345 /nfs/dbraw/zinc/24/53/45/499245345.db2.gz JZOHPKNOMFLNKG-MAUKXSAKSA-N 2 1 371.447 3.043 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370698717 499245346 /nfs/dbraw/zinc/24/53/46/499245346.db2.gz JZOHPKNOMFLNKG-MAUKXSAKSA-N 2 1 371.447 3.043 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc12 ZINC000370698970 499245806 /nfs/dbraw/zinc/24/58/06/499245806.db2.gz KISJEAGISXEUIV-PGRDOPGGSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705975 499246277 /nfs/dbraw/zinc/24/62/77/499246277.db2.gz KQOWTPFNISFMTI-WMZHIEFXSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000370705975 499246278 /nfs/dbraw/zinc/24/62/78/499246278.db2.gz KQOWTPFNISFMTI-WMZHIEFXSA-N 2 1 371.569 3.466 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370732663 499249495 /nfs/dbraw/zinc/24/94/95/499249495.db2.gz OOOWGDKRCLCYKU-VAMGGRTRSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370732663 499249496 /nfs/dbraw/zinc/24/94/96/499249496.db2.gz OOOWGDKRCLCYKU-VAMGGRTRSA-N 2 1 355.526 3.438 20 0 FGADMP Cc1cccc(C)c1NC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000370732663 499249497 /nfs/dbraw/zinc/24/94/97/499249497.db2.gz OOOWGDKRCLCYKU-VAMGGRTRSA-N 2 1 355.526 3.438 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017187 499255386 /nfs/dbraw/zinc/25/53/86/499255386.db2.gz GZCSIYDDWDIEEJ-HKUYNNGSSA-N 2 1 361.505 3.140 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cn1C ZINC000368028312 499256795 /nfs/dbraw/zinc/25/67/95/499256795.db2.gz COZNDHPOFMINIC-AWEZNQCLSA-N 2 1 352.438 3.157 20 0 FGADMP CCCN(CC1CC1)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371078871 499286856 /nfs/dbraw/zinc/28/68/56/499286856.db2.gz GQPNBGXOOKGKNO-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[N@H+]5CCC[C@@H]5C4)CC3)nc2c1 ZINC000371110532 499289555 /nfs/dbraw/zinc/28/95/55/499289555.db2.gz ZITYZYAJJKQHGJ-IAGOWNOFSA-N 2 1 356.539 3.482 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000371249525 499302643 /nfs/dbraw/zinc/30/26/43/499302643.db2.gz KMBOWERPLIQLJA-JWTNVVGKSA-N 2 1 362.518 3.444 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000371249525 499302645 /nfs/dbraw/zinc/30/26/45/499302645.db2.gz KMBOWERPLIQLJA-JWTNVVGKSA-N 2 1 362.518 3.444 20 0 FGADMP C[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368584254 499310161 /nfs/dbraw/zinc/31/01/61/499310161.db2.gz VUWHJROGFUPOSN-IUODEOHRSA-N 2 1 365.524 3.033 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@@H]1c1cccs1 ZINC000368584254 499310165 /nfs/dbraw/zinc/31/01/65/499310165.db2.gz VUWHJROGFUPOSN-IUODEOHRSA-N 2 1 365.524 3.033 20 0 FGADMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)[C@@H]1c1ccccc1 ZINC000371329800 499311245 /nfs/dbraw/zinc/31/12/45/499311245.db2.gz NVUYIDQUZONUSP-NQIIRXRSSA-N 2 1 367.493 3.167 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000368600380 499312346 /nfs/dbraw/zinc/31/23/46/499312346.db2.gz HFEQFVYJSZEJJM-SFHVURJKSA-N 2 1 372.557 3.482 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470753 499330994 /nfs/dbraw/zinc/33/09/94/499330994.db2.gz OETLRRPYUXJXEW-XUVXKRRUSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371470753 499330995 /nfs/dbraw/zinc/33/09/95/499330995.db2.gz OETLRRPYUXJXEW-XUVXKRRUSA-N 2 1 354.498 3.069 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)C2 ZINC000371491620 499334057 /nfs/dbraw/zinc/33/40/57/499334057.db2.gz SVFBATFBBREHRV-ZQIUZPCESA-N 2 1 360.889 3.015 20 0 FGADMP CC(C)[NH+]1CCC(N(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000371810316 499367937 /nfs/dbraw/zinc/36/79/37/499367937.db2.gz QYKPORFKUOPIHT-UHFFFAOYSA-N 2 1 350.576 3.214 20 0 FGADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@H](n3ccnc3C(C)C)C2)cc1 ZINC000369266380 499385362 /nfs/dbraw/zinc/38/53/62/499385362.db2.gz NIYXHPLWSBUSGH-KRWDZBQOSA-N 2 1 356.470 3.291 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000372086819 499397651 /nfs/dbraw/zinc/39/76/51/499397651.db2.gz QHWFPTDXXZUERU-FPOVZHCZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000372086819 499397653 /nfs/dbraw/zinc/39/76/53/499397653.db2.gz QHWFPTDXXZUERU-FPOVZHCZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000372086819 499397655 /nfs/dbraw/zinc/39/76/55/499397655.db2.gz QHWFPTDXXZUERU-FPOVZHCZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCC[C@@H]1CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372133134 499401967 /nfs/dbraw/zinc/40/19/67/499401967.db2.gz CKINIMFRYCZIDB-UYAOXDASSA-N 2 1 363.590 3.467 20 0 FGADMP C(=C/C[N@H+]1CC[C@@H](C2CCOCC2)C1)\C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000372270792 499415837 /nfs/dbraw/zinc/41/58/37/499415837.db2.gz UQCASXRPMZKGHP-XFDDJKQHSA-N 2 1 362.558 3.040 20 0 FGADMP C(=C/C[N@@H+]1CC[C@H](C2CCOCC2)C1)\C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000372270792 499415839 /nfs/dbraw/zinc/41/58/39/499415839.db2.gz UQCASXRPMZKGHP-XFDDJKQHSA-N 2 1 362.558 3.040 20 0 FGADMP C(=C/C[N@H+]1CC[C@H](C2CCOCC2)C1)\C[NH+]1CC[C@@H](C2CCOCC2)C1 ZINC000372270792 499415841 /nfs/dbraw/zinc/41/58/41/499415841.db2.gz UQCASXRPMZKGHP-XFDDJKQHSA-N 2 1 362.558 3.040 20 0 FGADMP CCC[C@@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000372354818 499424334 /nfs/dbraw/zinc/42/43/34/499424334.db2.gz FWKUWLJGVZDHHT-HXUWFJFHSA-N 2 1 351.579 3.371 20 0 FGADMP COc1cccc(OCC[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000369655439 499432433 /nfs/dbraw/zinc/43/24/33/499432433.db2.gz OKCGZYKDRRSLGB-UHFFFAOYSA-N 2 1 369.509 3.108 20 0 FGADMP COc1cccc(OCC[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000369655439 499432435 /nfs/dbraw/zinc/43/24/35/499432435.db2.gz OKCGZYKDRRSLGB-UHFFFAOYSA-N 2 1 369.509 3.108 20 0 FGADMP Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000373232271 499458872 /nfs/dbraw/zinc/45/88/72/499458872.db2.gz UEUGOVHPLNGERI-SFHVURJKSA-N 2 1 353.445 3.184 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378294869 499498837 /nfs/dbraw/zinc/49/88/37/499498837.db2.gz RAOIUXWDNGHQCP-HMXCVIKNSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000378297551 499499187 /nfs/dbraw/zinc/49/91/87/499499187.db2.gz VEWJKTIPLJYFDY-UHFFFAOYSA-N 2 1 362.518 3.446 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000378297551 499499188 /nfs/dbraw/zinc/49/91/88/499499188.db2.gz VEWJKTIPLJYFDY-UHFFFAOYSA-N 2 1 362.518 3.446 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NCc1[nH+]c(C)n2c1CCCC2)c1ccccc1 ZINC000378320955 499501504 /nfs/dbraw/zinc/50/15/04/499501504.db2.gz ZFUZJVNPTKCCCR-FQEVSTJZSA-N 2 1 354.498 3.227 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000375425890 499517618 /nfs/dbraw/zinc/51/76/18/499517618.db2.gz LLRVYUCZNXHTEJ-FQEVSTJZSA-N 2 1 365.521 3.043 20 0 FGADMP O=C1O[C@H](C[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428034 499517703 /nfs/dbraw/zinc/51/77/03/499517703.db2.gz WMPUCDNTMCAZOE-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CC12CC2 ZINC000375428034 499517705 /nfs/dbraw/zinc/51/77/05/499517705.db2.gz WMPUCDNTMCAZOE-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428034 499517707 /nfs/dbraw/zinc/51/77/07/499517707.db2.gz WMPUCDNTMCAZOE-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC12CC2 ZINC000375428034 499517708 /nfs/dbraw/zinc/51/77/08/499517708.db2.gz WMPUCDNTMCAZOE-PZJWPPBQSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@H]([NH2+]C1CCN(C(=O)c2ccco2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000378568173 499532511 /nfs/dbraw/zinc/53/25/11/499532511.db2.gz JPTBJWKXWJLKLR-IRXDYDNUSA-N 2 1 359.514 3.127 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCSC[C@@H]2c2cccs2)CC1 ZINC000375600454 499536746 /nfs/dbraw/zinc/53/67/46/499536746.db2.gz UJLBTXCBVCRZPM-QGZVFWFLSA-N 2 1 353.601 3.254 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626612 499542435 /nfs/dbraw/zinc/54/24/35/499542435.db2.gz MEOAFJBDLVVUMG-CEMLEFRQSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000379626612 499542437 /nfs/dbraw/zinc/54/24/37/499542437.db2.gz MEOAFJBDLVVUMG-CEMLEFRQSA-N 2 1 368.521 3.377 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333873 499546715 /nfs/dbraw/zinc/54/67/15/499546715.db2.gz ZWZCVGYFYDKZCV-CUWPLCDZSA-N 2 1 372.484 3.066 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000388269793 499550209 /nfs/dbraw/zinc/55/02/09/499550209.db2.gz MZVARIDFYBMEQY-GOSISDBHSA-N 2 1 356.441 3.224 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000398076367 499566244 /nfs/dbraw/zinc/56/62/44/499566244.db2.gz QSXUHKGIOVVICX-YXYSEUPNSA-N 2 1 357.542 3.039 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000576408851 506151414 /nfs/dbraw/zinc/15/14/14/506151414.db2.gz QJOFNVMAIREGTD-QGZVFWFLSA-N 2 1 364.287 3.189 20 0 FGADMP Cn1cncc1CCC[N@@H+]1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000576408851 506151411 /nfs/dbraw/zinc/15/14/11/506151411.db2.gz QJOFNVMAIREGTD-QGZVFWFLSA-N 2 1 364.287 3.189 20 0 FGADMP O[C@H](Cc1ccccc1)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446138 499596686 /nfs/dbraw/zinc/59/66/86/499596686.db2.gz NKIRJJURZDKTIV-YTFSRNRJSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446138 499596687 /nfs/dbraw/zinc/59/66/87/499596687.db2.gz NKIRJJURZDKTIV-YTFSRNRJSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000409446138 499596689 /nfs/dbraw/zinc/59/66/89/499596689.db2.gz NKIRJJURZDKTIV-YTFSRNRJSA-N 2 1 350.506 3.044 20 0 FGADMP Cn1cncc1CCC[N@@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000576408850 506151845 /nfs/dbraw/zinc/15/18/45/506151845.db2.gz QJOFNVMAIREGTD-KRWDZBQOSA-N 2 1 364.287 3.189 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCO[C@H](c2ccc(Br)cc2)C1 ZINC000576408850 506151850 /nfs/dbraw/zinc/15/18/50/506151850.db2.gz QJOFNVMAIREGTD-KRWDZBQOSA-N 2 1 364.287 3.189 20 0 FGADMP CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376833001 499638782 /nfs/dbraw/zinc/63/87/82/499638782.db2.gz YAKCNTYKHMRMGC-ZZJWQFMZSA-N 2 1 374.529 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192622 499709332 /nfs/dbraw/zinc/70/93/32/499709332.db2.gz RMMXJKQUKNPGAV-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@@H]1C[N@H+](C2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)CCO1 ZINC000411192622 499709334 /nfs/dbraw/zinc/70/93/34/499709334.db2.gz RMMXJKQUKNPGAV-HXUWFJFHSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860305 499742883 /nfs/dbraw/zinc/74/28/83/499742883.db2.gz MGAAEQAGRGTPOH-IRXDYDNUSA-N 2 1 352.482 3.265 20 0 FGADMP C[C@@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860305 499742884 /nfs/dbraw/zinc/74/28/84/499742884.db2.gz MGAAEQAGRGTPOH-IRXDYDNUSA-N 2 1 352.482 3.265 20 0 FGADMP Cc1nccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000377974784 499752456 /nfs/dbraw/zinc/75/24/56/499752456.db2.gz YRZSYYZVEZCMML-VBQJREDUSA-N 2 1 358.461 3.227 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000377974784 499752458 /nfs/dbraw/zinc/75/24/58/499752458.db2.gz YRZSYYZVEZCMML-VBQJREDUSA-N 2 1 358.461 3.227 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000377974784 499752460 /nfs/dbraw/zinc/75/24/60/499752460.db2.gz YRZSYYZVEZCMML-VBQJREDUSA-N 2 1 358.461 3.227 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000414182519 499766533 /nfs/dbraw/zinc/76/65/33/499766533.db2.gz NIWLLCUXYARJLG-JZWVFAODSA-N 2 1 368.521 3.271 20 0 FGADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414282692 499774132 /nfs/dbraw/zinc/77/41/32/499774132.db2.gz OGYYXGNJTAYLIU-UHFFFAOYSA-N 2 1 366.552 3.283 20 0 FGADMP CC[C@@H](C)N1CC[NH+](CCC(C)CCN2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000411787395 499790609 /nfs/dbraw/zinc/79/06/09/499790609.db2.gz FAYUFJXAUAMLOB-FGZHOGPDSA-N 2 1 366.638 3.235 20 0 FGADMP O[C@@H]([C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1)C(F)(F)F ZINC000411798836 499792024 /nfs/dbraw/zinc/79/20/24/499792024.db2.gz JQANEXUZYYQDHC-ROUUACIJSA-N 2 1 356.432 3.418 20 0 FGADMP CCCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000414784562 499831000 /nfs/dbraw/zinc/83/10/00/499831000.db2.gz ILWYTSJHNRAAFJ-SFHVURJKSA-N 2 1 362.514 3.061 20 0 FGADMP COc1ccc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414788508 499831321 /nfs/dbraw/zinc/83/13/21/499831321.db2.gz WTVPPHCUVHPUAR-KGLIPLIRSA-N 2 1 353.304 3.279 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CNCC[NH2+]C3CCCCCC3)sc2C1 ZINC000414812524 499833704 /nfs/dbraw/zinc/83/37/04/499833704.db2.gz PMNBFZWADLKBDI-UHFFFAOYSA-N 2 1 350.576 3.312 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c(C)c1 ZINC000414876798 499840415 /nfs/dbraw/zinc/84/04/15/499840415.db2.gz LAGUBRJZVHFJPB-SFHVURJKSA-N 2 1 354.498 3.185 20 0 FGADMP Clc1ccc(CN2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000414885040 499841335 /nfs/dbraw/zinc/84/13/35/499841335.db2.gz VCJLUCXDGOLDMS-UHFFFAOYSA-N 3 1 372.944 3.469 20 0 FGADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414887050 499841524 /nfs/dbraw/zinc/84/15/24/499841524.db2.gz WNHYBKUSBHOBMF-UHFFFAOYSA-N 2 1 369.900 3.499 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412291537 499841862 /nfs/dbraw/zinc/84/18/62/499841862.db2.gz LCUIKODVZIOSMY-OAQYLSRUSA-N 2 1 355.526 3.419 20 0 FGADMP C[C@]1(C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CCC[NH2+]C1 ZINC000414900043 499843046 /nfs/dbraw/zinc/84/30/46/499843046.db2.gz CZZZAADEHZUJRC-MJGOQNOKSA-N 2 1 352.906 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414907506 499843602 /nfs/dbraw/zinc/84/36/02/499843602.db2.gz QQRYYCIHALTRLB-YJBOKZPZSA-N 2 1 355.486 3.174 20 0 FGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)CC1CCOCC1 ZINC000414936015 499846421 /nfs/dbraw/zinc/84/64/21/499846421.db2.gz BEBYVYLPGTXLOV-NQYLQCIDSA-N 2 1 352.469 3.453 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414940951 499846878 /nfs/dbraw/zinc/84/68/78/499846878.db2.gz CCHFWFNIWCSPTB-MLGOLLRUSA-N 2 1 363.303 3.173 20 0 FGADMP C(=C/c1ccc(OCc2ccccc2)cc1)\C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415037903 499856827 /nfs/dbraw/zinc/85/68/27/499856827.db2.gz LMKHWNZFKMZEOH-YKNILIKBSA-N 2 1 352.478 3.247 20 0 FGADMP Fc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Cl)c1Cl ZINC000415059651 499859688 /nfs/dbraw/zinc/85/96/88/499859688.db2.gz VFOXIIJTQPYHKM-UHFFFAOYSA-N 2 1 360.304 3.439 20 0 FGADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(-c2ccncc2)c1 ZINC000415061917 499860037 /nfs/dbraw/zinc/86/00/37/499860037.db2.gz ZEBXXUUSFIDYEY-UHFFFAOYSA-N 2 1 350.510 3.055 20 0 FGADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c(OC)c1OC ZINC000415081371 499861669 /nfs/dbraw/zinc/86/16/69/499861669.db2.gz KJZUVRVNGMWXFX-OALUTQOASA-N 2 1 370.493 3.338 20 0 FGADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000415090506 499862522 /nfs/dbraw/zinc/86/25/22/499862522.db2.gz PBTIDMDDCGNJJC-ACRUOGEOSA-N 2 1 355.526 3.251 20 0 FGADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000415103886 499864098 /nfs/dbraw/zinc/86/40/98/499864098.db2.gz KJMRJEZDTDIIDY-JAXLGGSGSA-N 2 1 352.478 3.200 20 0 FGADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CC[NH2+]2)cc1 ZINC000415110790 499865071 /nfs/dbraw/zinc/86/50/71/499865071.db2.gz QQFOCGIRUKBWCQ-RTWAWAEBSA-N 2 1 357.542 3.104 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415120573 499866289 /nfs/dbraw/zinc/86/62/89/499866289.db2.gz GLXKGQSGWBEUER-AEFFLSMTSA-N 2 1 355.482 3.086 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415120573 499866290 /nfs/dbraw/zinc/86/62/90/499866290.db2.gz GLXKGQSGWBEUER-AEFFLSMTSA-N 2 1 355.482 3.086 20 0 FGADMP C[C@H](c1ccc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000415188539 499874946 /nfs/dbraw/zinc/87/49/46/499874946.db2.gz VKNAZHGADZRTEN-UZLBHIALSA-N 2 1 374.529 3.109 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000415898074 499925645 /nfs/dbraw/zinc/92/56/45/499925645.db2.gz GXGWXRJCRPGCGG-APWZRJJASA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c1 ZINC000415937014 499930796 /nfs/dbraw/zinc/93/07/96/499930796.db2.gz WVHVFDDWORXEGH-SFHVURJKSA-N 2 1 360.889 3.484 20 0 FGADMP C[C@@H](CCNC(=O)Nc1ccc(OCC[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000415940919 499931186 /nfs/dbraw/zinc/93/11/86/499931186.db2.gz VAWKHZAYZYRIMD-KRWDZBQOSA-N 2 1 370.497 3.056 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415946852 499932104 /nfs/dbraw/zinc/93/21/04/499932104.db2.gz UXMDABGXBPHGRD-KRWDZBQOSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415946852 499932105 /nfs/dbraw/zinc/93/21/05/499932105.db2.gz UXMDABGXBPHGRD-KRWDZBQOSA-N 2 1 352.482 3.144 20 0 FGADMP C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000415993616 499938602 /nfs/dbraw/zinc/93/86/02/499938602.db2.gz FILDIPAKYVRYKO-KRWDZBQOSA-N 2 1 364.493 3.418 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417037812 499954667 /nfs/dbraw/zinc/95/46/67/499954667.db2.gz IRQWWRBXNISLKV-VAMGGRTRSA-N 2 1 364.578 3.205 20 0 FGADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000416169588 499967121 /nfs/dbraw/zinc/96/71/21/499967121.db2.gz FVHPUFYENLJVGW-UHFFFAOYSA-N 2 1 369.553 3.348 20 0 FGADMP c1ccc([C@H]2C[C@@H]([NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC[NH2+]2)cc1 ZINC000570440494 506168543 /nfs/dbraw/zinc/16/85/43/506168543.db2.gz USTLSFMMSPTSGY-MANSERQUSA-N 2 1 368.481 3.250 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C3CCC3)C3CCC3)CC2)cc1 ZINC000429149404 500013593 /nfs/dbraw/zinc/01/35/93/500013593.db2.gz HFWQTUFQRWCNQM-UHFFFAOYSA-N 2 1 369.553 3.436 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1=O ZINC000421351257 500023337 /nfs/dbraw/zinc/02/33/37/500023337.db2.gz MHQSVBUUBUQEHI-DXBBTUNJSA-N 2 1 369.553 3.135 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)cc1 ZINC000429415232 500074118 /nfs/dbraw/zinc/07/41/18/500074118.db2.gz DNFOWEMLZXUXJU-GSPCLOLRSA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)C2)cc1 ZINC000429415232 500074122 /nfs/dbraw/zinc/07/41/22/500074122.db2.gz DNFOWEMLZXUXJU-GSPCLOLRSA-N 2 1 372.553 3.462 20 0 FGADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000425350987 500082427 /nfs/dbraw/zinc/08/24/27/500082427.db2.gz LVFKMFRZKMZMIW-VQTJNVASSA-N 2 1 364.555 3.160 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc(OCC[NH+](C)C)cc1F ZINC000413904959 500091502 /nfs/dbraw/zinc/09/15/02/500091502.db2.gz VOTFTPYAIJACFQ-UHFFFAOYSA-N 2 1 362.449 3.115 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000429515568 500091917 /nfs/dbraw/zinc/09/19/17/500091917.db2.gz BSCVZLOQSCOCLF-LAUBAEHRSA-N 2 1 351.494 3.235 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564926 500104357 /nfs/dbraw/zinc/10/43/57/500104357.db2.gz HDIVHCZUWHBUBM-GHTZIAJQSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564926 500104360 /nfs/dbraw/zinc/10/43/60/500104360.db2.gz HDIVHCZUWHBUBM-GHTZIAJQSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)[C@@H]2CC[C@H](C)C2)CC1 ZINC000429564926 500104361 /nfs/dbraw/zinc/10/43/61/500104361.db2.gz HDIVHCZUWHBUBM-GHTZIAJQSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@@H](CNC(=O)N[C@H](CCC[NH3+])c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000417591727 500119420 /nfs/dbraw/zinc/11/94/20/500119420.db2.gz SMKVUIZVKSVFFF-GHTZIAJQSA-N 2 1 368.525 3.286 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000417644546 500135712 /nfs/dbraw/zinc/13/57/12/500135712.db2.gz AJPUHKOZRFJMOM-UTKZUKDTSA-N 2 1 366.509 3.170 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416874314 500145015 /nfs/dbraw/zinc/14/50/15/500145015.db2.gz PIERSMKDQORVGZ-NHCUHLMSSA-N 2 1 372.557 3.072 20 0 FGADMP CCCc1[nH]ccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000421780633 500149168 /nfs/dbraw/zinc/14/91/68/500149168.db2.gz UTXJFGSTTRPEOM-UHFFFAOYSA-N 2 1 374.573 3.236 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414109433 500155998 /nfs/dbraw/zinc/15/59/98/500155998.db2.gz HFBPIHKAOOLWCL-KRWDZBQOSA-N 2 1 354.498 3.155 20 0 FGADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCC1 ZINC000573357429 506179347 /nfs/dbraw/zinc/17/93/47/506179347.db2.gz BAEFZOLQQFKEDC-UHFFFAOYSA-N 2 1 368.319 3.242 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830971 500161365 /nfs/dbraw/zinc/16/13/65/500161365.db2.gz CEKCZQKPKNWRHZ-PCCBWWKXSA-N 2 1 364.505 3.499 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@H](N)c1cscn1)C1CCCCC1 ZINC000573362331 506179815 /nfs/dbraw/zinc/17/98/15/506179815.db2.gz DQNFIBQFNZOOTB-IBGZPJMESA-N 2 1 372.538 3.224 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000416970973 500170828 /nfs/dbraw/zinc/17/08/28/500170828.db2.gz ONEACTANZWEXRE-GHTZIAJQSA-N 2 1 372.557 3.202 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416977566 500173282 /nfs/dbraw/zinc/17/32/82/500173282.db2.gz QDBINEZWTRWUEE-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416979444 500173915 /nfs/dbraw/zinc/17/39/15/500173915.db2.gz SKVNALGZVHXJEC-WFXMLNOXSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416979470 500173954 /nfs/dbraw/zinc/17/39/54/500173954.db2.gz SOVGJENXGAIWQY-UIFIKXQLSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)C1 ZINC000416981255 500174622 /nfs/dbraw/zinc/17/46/22/500174622.db2.gz CJUPXXORYHYPDX-KJNZLNQQSA-N 2 1 372.557 3.091 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H]1CC[NH2+]C1 ZINC000416985036 500175829 /nfs/dbraw/zinc/17/58/29/500175829.db2.gz YJBONBJTOYRJQI-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)C1CCCCC1 ZINC000417009352 500183544 /nfs/dbraw/zinc/18/35/44/500183544.db2.gz KGXZEPHWVPMXRM-LJQANCHMSA-N 2 1 364.578 3.061 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000417868815 500188122 /nfs/dbraw/zinc/18/81/22/500188122.db2.gz DBLJXIYOLNQZIK-WIYYLYMNSA-N 2 1 374.573 3.435 20 0 FGADMP Cc1cc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)n(C)n1 ZINC000417966883 500206334 /nfs/dbraw/zinc/20/63/34/500206334.db2.gz NQXPJQHXWDBARC-HDICACEKSA-N 2 1 370.541 3.027 20 0 FGADMP CCCN(C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987105 500209724 /nfs/dbraw/zinc/20/97/24/500209724.db2.gz GBECJEPSYBAWIR-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430214062 500209876 /nfs/dbraw/zinc/20/98/76/500209876.db2.gz WNBBPBGJAPVWES-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+](CCCOc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425927035 500213232 /nfs/dbraw/zinc/21/32/32/500213232.db2.gz QDFGSYKTFWTXDX-JOCHJYFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[N@@H+](CCCOc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425927035 500213234 /nfs/dbraw/zinc/21/32/34/500213234.db2.gz QDFGSYKTFWTXDX-JOCHJYFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[NH+](CCCOc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425927035 500213236 /nfs/dbraw/zinc/21/32/36/500213236.db2.gz QDFGSYKTFWTXDX-JOCHJYFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[NH+](CCCOc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425927035 500213238 /nfs/dbraw/zinc/21/32/38/500213238.db2.gz QDFGSYKTFWTXDX-JOCHJYFZSA-N 2 1 354.494 3.024 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418017108 500214698 /nfs/dbraw/zinc/21/46/98/500214698.db2.gz RZMWDELSLZMSMY-XGHQBKJUSA-N 2 1 366.509 3.026 20 0 FGADMP CC(C)CSCCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940896 500215015 /nfs/dbraw/zinc/21/50/15/500215015.db2.gz IKJUCRQDVFWSLL-HXUWFJFHSA-N 2 1 350.572 3.335 20 0 FGADMP CC(C)CSCCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425940896 500215017 /nfs/dbraw/zinc/21/50/17/500215017.db2.gz IKJUCRQDVFWSLL-HXUWFJFHSA-N 2 1 350.572 3.335 20 0 FGADMP CC(C)CSCCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425940896 500215019 /nfs/dbraw/zinc/21/50/19/500215019.db2.gz IKJUCRQDVFWSLL-HXUWFJFHSA-N 2 1 350.572 3.335 20 0 FGADMP CC(C)CSCCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425940896 500215020 /nfs/dbraw/zinc/21/50/20/500215020.db2.gz IKJUCRQDVFWSLL-HXUWFJFHSA-N 2 1 350.572 3.335 20 0 FGADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CCc2ccc(F)cc21 ZINC000425981811 500220748 /nfs/dbraw/zinc/22/07/48/500220748.db2.gz SLDYYRZTYQHTLA-FCHUYYIVSA-N 2 1 354.469 3.382 20 0 FGADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCc2ccc(F)cc21 ZINC000425981811 500220750 /nfs/dbraw/zinc/22/07/50/500220750.db2.gz SLDYYRZTYQHTLA-FCHUYYIVSA-N 2 1 354.469 3.382 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC1CCC([NH3+])CC1)c1ccc(Cl)cc1 ZINC000418189210 500245860 /nfs/dbraw/zinc/24/58/60/500245860.db2.gz VDCFMKGYQRZPCK-ABHNRTSZSA-N 2 1 366.937 3.292 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000418191371 500246140 /nfs/dbraw/zinc/24/61/40/500246140.db2.gz KPLMVJQKGVKEGA-CSODHUTKSA-N 2 1 366.509 3.169 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000430559617 500254382 /nfs/dbraw/zinc/25/43/82/500254382.db2.gz TXJZDRLPKDUZJK-GOSISDBHSA-N 2 1 351.560 3.273 20 0 FGADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000582316850 506185204 /nfs/dbraw/zinc/18/52/04/506185204.db2.gz HGRSOBQSWVFRCO-UHFFFAOYSA-N 2 1 367.493 3.289 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Br)cc1F ZINC000430577670 500257212 /nfs/dbraw/zinc/25/72/12/500257212.db2.gz CYMIOUWVBGYKMO-CQSZACIVSA-N 2 1 374.298 3.222 20 0 FGADMP [NH3+]C[C@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641749 500264807 /nfs/dbraw/zinc/26/48/07/500264807.db2.gz UBYTWLPAAMOUIW-CXAGYDPISA-N 2 1 370.324 3.328 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000430641749 500264810 /nfs/dbraw/zinc/26/48/10/500264810.db2.gz UBYTWLPAAMOUIW-CXAGYDPISA-N 2 1 370.324 3.328 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418410215 500273271 /nfs/dbraw/zinc/27/32/71/500273271.db2.gz OMLUDZRABQCSBA-LEWJYISDSA-N 2 1 372.557 3.058 20 0 FGADMP O=C(C[N@H+]1CC[C@H]2CCC[C@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460345 500274686 /nfs/dbraw/zinc/27/46/86/500274686.db2.gz NNSBAJBNOPVOAJ-IEBWSBKVSA-N 2 1 359.539 3.048 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC([NH3+])(CC)CC ZINC000418425234 500274797 /nfs/dbraw/zinc/27/47/97/500274797.db2.gz JFFGQCZNJBRJAB-IBGZPJMESA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000430729580 500276572 /nfs/dbraw/zinc/27/65/72/500276572.db2.gz OOVWUOZUNQHNRA-OPYAIIAOSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000430729580 500276575 /nfs/dbraw/zinc/27/65/75/500276575.db2.gz OOVWUOZUNQHNRA-OPYAIIAOSA-N 2 1 351.494 3.055 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000430730953 500276785 /nfs/dbraw/zinc/27/67/85/500276785.db2.gz UIPOPPPWYKNFQW-KKSFZXQISA-N 2 1 367.493 3.037 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418472105 500280398 /nfs/dbraw/zinc/28/03/98/500280398.db2.gz SDAQMCJUNVNPMN-FQEVSTJZSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422641162 500285168 /nfs/dbraw/zinc/28/51/68/500285168.db2.gz XGRFXSQQYLQSFP-MCIONIFRSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000422641164 500285532 /nfs/dbraw/zinc/28/55/32/500285532.db2.gz XGRFXSQQYLQSFP-RDBSUJKOSA-N 2 1 368.319 3.083 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000422758144 500294428 /nfs/dbraw/zinc/29/44/28/500294428.db2.gz NOLMECKWILWVEQ-MBDNFAEBSA-N 2 1 357.542 3.342 20 0 FGADMP C[N@@H+](CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785218 500297357 /nfs/dbraw/zinc/29/73/57/500297357.db2.gz MZCFAINCDNTZCV-FYYLOGMGSA-N 2 1 365.521 3.354 20 0 FGADMP C[N@H+](CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785218 500297360 /nfs/dbraw/zinc/29/73/60/500297360.db2.gz MZCFAINCDNTZCV-FYYLOGMGSA-N 3 1 365.521 3.354 20 0 FGADMP C[N@@H+](CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785218 500297364 /nfs/dbraw/zinc/29/73/64/500297364.db2.gz MZCFAINCDNTZCV-FYYLOGMGSA-N 3 1 365.521 3.354 20 0 FGADMP CN(CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785218 500297367 /nfs/dbraw/zinc/29/73/67/500297367.db2.gz MZCFAINCDNTZCV-FYYLOGMGSA-N 2 1 365.521 3.354 20 0 FGADMP C[N@@H+](CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785223 500297638 /nfs/dbraw/zinc/29/76/38/500297638.db2.gz MZCFAINCDNTZCV-JTHBVZDNSA-N 2 1 365.521 3.354 20 0 FGADMP C[N@H+](CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785223 500297640 /nfs/dbraw/zinc/29/76/40/500297640.db2.gz MZCFAINCDNTZCV-JTHBVZDNSA-N 3 1 365.521 3.354 20 0 FGADMP C[N@@H+](CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785223 500297642 /nfs/dbraw/zinc/29/76/42/500297642.db2.gz MZCFAINCDNTZCV-JTHBVZDNSA-N 3 1 365.521 3.354 20 0 FGADMP CN(CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)Cc1ccccc1 ZINC000422785223 500297644 /nfs/dbraw/zinc/29/76/44/500297644.db2.gz MZCFAINCDNTZCV-JTHBVZDNSA-N 2 1 365.521 3.354 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccc(Br)cc1 ZINC000422800358 500299578 /nfs/dbraw/zinc/29/95/78/500299578.db2.gz ZVAXKOBUHRZQIP-RYUDHWBXSA-N 2 1 350.260 3.375 20 0 FGADMP Fc1cccc(Cl)c1[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCC1 ZINC000422842024 500305018 /nfs/dbraw/zinc/30/50/18/500305018.db2.gz DZRBWIUOUYVEOY-JCHQDKQGSA-N 2 1 351.897 3.489 20 0 FGADMP Cc1ccccc1NC(=O)Cc1nc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cs1 ZINC000430922415 500307969 /nfs/dbraw/zinc/30/79/69/500307969.db2.gz AENMKPRSSAUCIU-OAHLLOKOSA-N 2 1 372.538 3.192 20 0 FGADMP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888279 500311454 /nfs/dbraw/zinc/31/14/54/500311454.db2.gz MJSGNGAAVJUWCN-PWRODBHTSA-N 2 1 363.590 3.310 20 0 FGADMP C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)CC[C@H]1[NH3+] ZINC000430966426 500314243 /nfs/dbraw/zinc/31/42/43/500314243.db2.gz OSVPDWFHBMZDOI-FUHWJXTLSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000418750130 500318005 /nfs/dbraw/zinc/31/80/05/500318005.db2.gz NNZRQVQOLIBXMN-HMXCVIKNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020963 500324765 /nfs/dbraw/zinc/32/47/65/500324765.db2.gz GFSYQUYXBHKUMB-CQSZACIVSA-N 2 1 360.889 3.450 20 0 FGADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)c(Cl)c1 ZINC000423024525 500332527 /nfs/dbraw/zinc/33/25/27/500332527.db2.gz LVVRWBZMAAWUIQ-BMGDILEWSA-N 2 1 352.881 3.257 20 0 FGADMP c1ccc(COCCC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423053655 500336203 /nfs/dbraw/zinc/33/62/03/500336203.db2.gz SEEWAAODZIETBH-NJDAHSKKSA-N 2 1 358.526 3.120 20 0 FGADMP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423087748 500340252 /nfs/dbraw/zinc/34/02/52/500340252.db2.gz QGJBDAWMBAODSX-KWXGJIJISA-N 2 1 359.480 3.302 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097110 500341949 /nfs/dbraw/zinc/34/19/49/500341949.db2.gz AJDXTUKLJGOTGK-JPYJTQIMSA-N 3 1 367.537 3.208 20 0 FGADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000423097110 500341951 /nfs/dbraw/zinc/34/19/51/500341951.db2.gz AJDXTUKLJGOTGK-JPYJTQIMSA-N 2 1 367.537 3.208 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423099298 500341973 /nfs/dbraw/zinc/34/19/73/500341973.db2.gz FIHLAUOHAQKFMI-VAMGGRTRSA-N 2 1 365.949 3.080 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423108822 500343261 /nfs/dbraw/zinc/34/32/61/500343261.db2.gz GNJUUVNRUIQGTI-GIVPXCGWSA-N 2 1 353.510 3.490 20 0 FGADMP CC[C@@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127573 500345829 /nfs/dbraw/zinc/34/58/29/500345829.db2.gz CCKWTZKFFOLJIJ-VSKRKVRLSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423188081 500353563 /nfs/dbraw/zinc/35/35/63/500353563.db2.gz QDQLTOZFKFUEMG-HYVNUMGLSA-N 2 1 353.304 3.004 20 0 FGADMP CC[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000423271095 500360545 /nfs/dbraw/zinc/36/05/45/500360545.db2.gz XEWYUQIGBQYGRL-RBUKOAKNSA-N 2 1 361.530 3.102 20 0 FGADMP CCOC(=O)C1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369345 500368090 /nfs/dbraw/zinc/36/80/90/500368090.db2.gz OKPPSARLUVHPLN-HOUAELIMSA-N 2 1 366.452 3.122 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423407647 500371953 /nfs/dbraw/zinc/37/19/53/500371953.db2.gz MWGHGCPTOCRXJM-MJGOQNOKSA-N 2 1 351.494 3.300 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)cn1 ZINC000423465800 500376720 /nfs/dbraw/zinc/37/67/20/500376720.db2.gz HWQLRUBBRPGYME-UKPHBRMFSA-N 2 1 361.436 3.412 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c2ccsc2S1 ZINC000423506433 500379785 /nfs/dbraw/zinc/37/97/85/500379785.db2.gz IZCBDZVYRGKXGX-PBMMVSLJSA-N 2 1 351.585 3.480 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423549980 500384267 /nfs/dbraw/zinc/38/42/67/500384267.db2.gz NNLHJZWNWGGFIB-AJIIZAQNSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423549980 500384268 /nfs/dbraw/zinc/38/42/68/500384268.db2.gz NNLHJZWNWGGFIB-AJIIZAQNSA-N 2 1 353.554 3.407 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)C[C@@H]1C ZINC000431653175 500403524 /nfs/dbraw/zinc/40/35/24/500403524.db2.gz YWTMFLNJPQXRMJ-ICSRJNTNSA-N 2 1 366.594 3.259 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431656063 500403944 /nfs/dbraw/zinc/40/39/44/500403944.db2.gz UFEHZECTOXFFTE-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431656063 500403946 /nfs/dbraw/zinc/40/39/46/500403946.db2.gz UFEHZECTOXFFTE-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431656063 500403948 /nfs/dbraw/zinc/40/39/48/500403948.db2.gz UFEHZECTOXFFTE-PZJWPPBQSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431656061 500404157 /nfs/dbraw/zinc/40/41/57/500404157.db2.gz UFEHZECTOXFFTE-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431656061 500404160 /nfs/dbraw/zinc/40/41/60/500404160.db2.gz UFEHZECTOXFFTE-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431656061 500404164 /nfs/dbraw/zinc/40/41/64/500404164.db2.gz UFEHZECTOXFFTE-CTNGQTDRSA-N 2 1 355.526 3.174 20 0 FGADMP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CCC1 ZINC000423817024 500405472 /nfs/dbraw/zinc/40/54/72/500405472.db2.gz YQEPZJUZUMOOQG-KRWDZBQOSA-N 2 1 370.324 3.201 20 0 FGADMP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@H+]1Cc1ccccc1 ZINC000423832476 500408353 /nfs/dbraw/zinc/40/83/53/500408353.db2.gz XWMQIHNWFGJRGT-OAQYLSRUSA-N 2 1 365.521 3.185 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423831430 500408478 /nfs/dbraw/zinc/40/84/78/500408478.db2.gz QYOFDZHQSFNPOR-PZGXJPJSSA-N 2 1 367.484 3.224 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423831430 500408480 /nfs/dbraw/zinc/40/84/80/500408480.db2.gz QYOFDZHQSFNPOR-PZGXJPJSSA-N 2 1 367.484 3.224 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423868338 500413887 /nfs/dbraw/zinc/41/38/87/500413887.db2.gz NDELAXKEACJMLV-XGHQBKJUSA-N 2 1 351.494 3.347 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907637 500418361 /nfs/dbraw/zinc/41/83/61/500418361.db2.gz RONUYNURHYDODC-DOIPELPJSA-N 2 1 355.526 3.017 20 0 FGADMP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000431778004 500423481 /nfs/dbraw/zinc/42/34/81/500423481.db2.gz FXKIAJAOVLPSCG-PGRDOPGGSA-N 2 1 365.521 3.242 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000431793930 500426020 /nfs/dbraw/zinc/42/60/20/500426020.db2.gz IOVXSGDDNQFARC-WDSOQIARSA-N 2 1 363.550 3.027 20 0 FGADMP CC(C)c1cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)ncn1 ZINC000431827981 500430025 /nfs/dbraw/zinc/43/00/25/500430025.db2.gz KXSFICVXODECKB-UHFFFAOYSA-N 2 1 359.562 3.233 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000420261124 500430128 /nfs/dbraw/zinc/43/01/28/500430128.db2.gz OUTIBERYFYIXBX-CVEARBPZSA-N 2 1 353.466 3.074 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(OC(F)F)cc2)cc1 ZINC000420299026 500437020 /nfs/dbraw/zinc/43/70/20/500437020.db2.gz GBZSHIGFUHZCIZ-INIZCTEOSA-N 2 1 350.409 3.471 20 0 FGADMP CC[N@H+]([C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000420303731 500437895 /nfs/dbraw/zinc/43/78/95/500437895.db2.gz DDVZZYVZAXKJSP-GUYCJALGSA-N 2 1 353.869 3.048 20 0 FGADMP CC[N@@H+]([C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCC[NH2+]CC1 ZINC000420303731 500437896 /nfs/dbraw/zinc/43/78/96/500437896.db2.gz DDVZZYVZAXKJSP-GUYCJALGSA-N 2 1 353.869 3.048 20 0 FGADMP CCOC(=O)c1nc(-c2ccccc2)oc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420305630 500438440 /nfs/dbraw/zinc/43/84/40/500438440.db2.gz GTZWDHLYLTZEMR-HNNXBMFYSA-N 2 1 357.454 3.079 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)c2cc(C)n(CC(F)(F)F)c2C)CC1 ZINC000420312603 500438837 /nfs/dbraw/zinc/43/88/37/500438837.db2.gz SRAXWKWARLRDJO-UHFFFAOYSA-N 2 1 359.436 3.171 20 0 FGADMP c1ccc(COc2cncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)cc1 ZINC000420320258 500440652 /nfs/dbraw/zinc/44/06/52/500440652.db2.gz BCKQOAJZEKOTFM-NHCUHLMSSA-N 2 1 351.494 3.482 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000420326253 500441515 /nfs/dbraw/zinc/44/15/15/500441515.db2.gz XBSMKODSBBTJIU-GOSISDBHSA-N 2 1 370.493 3.419 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2cc(OC)ccc2OC)C2CC2)cc1 ZINC000420326253 500441516 /nfs/dbraw/zinc/44/15/16/500441516.db2.gz XBSMKODSBBTJIU-GOSISDBHSA-N 2 1 370.493 3.419 20 0 FGADMP Cc1nc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)oc1-c1ccc(Cl)cc1 ZINC000420347287 500446288 /nfs/dbraw/zinc/44/62/88/500446288.db2.gz GJKKBKWFSJMJIE-QAPCUYQASA-N 2 1 374.916 3.344 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397145 500455686 /nfs/dbraw/zinc/45/56/86/500455686.db2.gz MOTIUWYPWYLJNV-WOJBJXKFSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397145 500455690 /nfs/dbraw/zinc/45/56/90/500455690.db2.gz MOTIUWYPWYLJNV-WOJBJXKFSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(c3nc(C)nc4scc(C)c43)CC2)CC1 ZINC000420621034 500479031 /nfs/dbraw/zinc/47/90/31/500479031.db2.gz CJSXHGVSGUTXDZ-UHFFFAOYSA-N 2 1 373.570 3.305 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(c3nc(C)nc4scc(C)c43)CC2)CC1 ZINC000420621034 500479034 /nfs/dbraw/zinc/47/90/34/500479034.db2.gz CJSXHGVSGUTXDZ-UHFFFAOYSA-N 2 1 373.570 3.305 20 0 FGADMP CC(C)[C@H](NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285924 500481217 /nfs/dbraw/zinc/48/12/17/500481217.db2.gz GIFMMWCIRHHNJC-UZLBHIALSA-N 2 1 361.505 3.103 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297575 500483134 /nfs/dbraw/zinc/48/31/34/500483134.db2.gz SYROPUHKISWDQM-HOTGVXAUSA-N 2 1 363.933 3.323 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424381426 500494197 /nfs/dbraw/zinc/49/41/97/500494197.db2.gz QSXJFMPTURSQAR-ZDUSSCGKSA-N 2 1 353.304 3.422 20 0 FGADMP COc1cc(CNCCC[N@H+]2CCCO[C@H](C)C2)c(SC)cc1OC ZINC000432349588 500503001 /nfs/dbraw/zinc/50/30/01/500503001.db2.gz YEIINYHUDLKKBD-OAHLLOKOSA-N 2 1 368.543 3.016 20 0 FGADMP COc1cc(C[NH2+]CCCN2CCCO[C@H](C)C2)c(SC)cc1OC ZINC000432349588 500503005 /nfs/dbraw/zinc/50/30/05/500503005.db2.gz YEIINYHUDLKKBD-OAHLLOKOSA-N 2 1 368.543 3.016 20 0 FGADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(SC)cc1OC ZINC000432349588 500503006 /nfs/dbraw/zinc/50/30/06/500503006.db2.gz YEIINYHUDLKKBD-OAHLLOKOSA-N 2 1 368.543 3.016 20 0 FGADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(SC)cc1OC ZINC000432349588 500503009 /nfs/dbraw/zinc/50/30/09/500503009.db2.gz YEIINYHUDLKKBD-OAHLLOKOSA-N 2 1 368.543 3.016 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000420838823 500512968 /nfs/dbraw/zinc/51/29/68/500512968.db2.gz RRKQDYHWUFYTQR-CBNMVNINSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432413816 500513362 /nfs/dbraw/zinc/51/33/62/500513362.db2.gz IGQOXZDAQQFCJJ-JKSUJKDBSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432413816 500513364 /nfs/dbraw/zinc/51/33/64/500513364.db2.gz IGQOXZDAQQFCJJ-JKSUJKDBSA-N 2 1 367.921 3.148 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(CN2CCOCC2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000420949488 500538662 /nfs/dbraw/zinc/53/86/62/500538662.db2.gz QHNVYSVDUIVSLF-DENIHFKCSA-N 2 1 371.569 3.261 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695589 500545166 /nfs/dbraw/zinc/54/51/66/500545166.db2.gz WSNMKIJTZIXTRT-QUCCMNQESA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695589 500545167 /nfs/dbraw/zinc/54/51/67/500545167.db2.gz WSNMKIJTZIXTRT-QUCCMNQESA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)C ZINC000428695589 500545170 /nfs/dbraw/zinc/54/51/70/500545170.db2.gz WSNMKIJTZIXTRT-QUCCMNQESA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCC3CCOCC3)CC2)CC1 ZINC000420986361 500548716 /nfs/dbraw/zinc/54/87/16/500548716.db2.gz YDGVVPZJKSNRGY-UHFFFAOYSA-N 2 1 351.579 3.075 20 0 FGADMP C[C@H](CC[NH+]1CC[C@@H](O)CC12CCC2)CC[N@H+]1CC[C@H](O)CC12CCC2 ZINC000421012494 500554318 /nfs/dbraw/zinc/55/43/18/500554318.db2.gz TXNRVIBSGJASHD-OWZKRDHZSA-N 2 1 364.574 3.162 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H](O)CC12CCC2)CC[N@@H+]1CC[C@@H](O)CC12CCC2 ZINC000421012494 500554319 /nfs/dbraw/zinc/55/43/19/500554319.db2.gz TXNRVIBSGJASHD-OWZKRDHZSA-N 2 1 364.574 3.162 20 0 FGADMP C[C@@H](CC[NH+]1CC[C@H](O)CC12CCC2)CC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421012494 500554321 /nfs/dbraw/zinc/55/43/21/500554321.db2.gz TXNRVIBSGJASHD-OWZKRDHZSA-N 2 1 364.574 3.162 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000432797041 500565394 /nfs/dbraw/zinc/56/53/94/500565394.db2.gz JUGMBACCJJKIKK-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCCNC(=O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000432797041 500565396 /nfs/dbraw/zinc/56/53/96/500565396.db2.gz JUGMBACCJJKIKK-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797041 500565399 /nfs/dbraw/zinc/56/53/99/500565399.db2.gz JUGMBACCJJKIKK-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCCNC(=O)C2CCC2)CC[NH+]1Cc1ccccc1 ZINC000432797041 500565400 /nfs/dbraw/zinc/56/54/00/500565400.db2.gz JUGMBACCJJKIKK-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](C)CCN(Cc1ccco1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000447272032 500582989 /nfs/dbraw/zinc/58/29/89/500582989.db2.gz BLKBUGZMSVGLNY-UHFFFAOYSA-N 2 1 364.534 3.007 20 0 FGADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447429282 500604821 /nfs/dbraw/zinc/60/48/21/500604821.db2.gz WKMHAJNLKARKEM-OAHLLOKOSA-N 2 1 351.560 3.440 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000447429282 500604824 /nfs/dbraw/zinc/60/48/24/500604824.db2.gz WKMHAJNLKARKEM-OAHLLOKOSA-N 2 1 351.560 3.440 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H](c2ccccc2)C1)c1ccccc1 ZINC000433046352 500612919 /nfs/dbraw/zinc/61/29/19/500612919.db2.gz PCAVMLFTONBNTO-FCHUYYIVSA-N 2 1 365.521 3.285 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762162 500621744 /nfs/dbraw/zinc/62/17/44/500621744.db2.gz QEMBJILASUOMCI-SJORKVTESA-N 2 1 353.466 3.477 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784385 500625685 /nfs/dbraw/zinc/62/56/85/500625685.db2.gz VUQAPCWPBHMUHL-RYUDHWBXSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1coc(-c2ccc(Br)cc2)n1 ZINC000442784385 500625687 /nfs/dbraw/zinc/62/56/87/500625687.db2.gz VUQAPCWPBHMUHL-RYUDHWBXSA-N 2 1 350.260 3.273 20 0 FGADMP [NH3+]C1CCN(CCCC(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000433153681 500636225 /nfs/dbraw/zinc/63/62/25/500636225.db2.gz QGPJMMSPOVGTHX-UHFFFAOYSA-N 2 1 372.557 3.204 20 0 FGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724782 500653957 /nfs/dbraw/zinc/65/39/57/500653957.db2.gz YHJFCIGMXAAOTC-RBUKOAKNSA-N 2 1 357.498 3.417 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000443061685 500671664 /nfs/dbraw/zinc/67/16/64/500671664.db2.gz SDMOCULJDAQGGC-KRWDZBQOSA-N 2 1 353.466 3.478 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000437776799 500693693 /nfs/dbraw/zinc/69/36/93/500693693.db2.gz PXYYIDPNUWQEAU-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000437776799 500693694 /nfs/dbraw/zinc/69/36/94/500693694.db2.gz PXYYIDPNUWQEAU-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000437776799 500693697 /nfs/dbraw/zinc/69/36/97/500693697.db2.gz PXYYIDPNUWQEAU-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209492 500733616 /nfs/dbraw/zinc/73/36/16/500733616.db2.gz RJHODYVXDSZYRV-FUHWJXTLSA-N 2 1 366.575 3.018 20 0 FGADMP Cc1cc(NC[C@](C)(O)C[NH+](C)C)c2cccc(OC(F)(F)F)c2[nH+]1 ZINC000443682444 500755689 /nfs/dbraw/zinc/75/56/89/500755689.db2.gz MAMMJBDZDBSADQ-INIZCTEOSA-N 2 1 357.376 3.166 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468115 500762369 /nfs/dbraw/zinc/76/23/69/500762369.db2.gz UAMWYAGBCUVOAE-ZSXPUABSSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468115 500762370 /nfs/dbraw/zinc/76/23/70/500762370.db2.gz UAMWYAGBCUVOAE-ZSXPUABSSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@@H](C)C1 ZINC000448468115 500762371 /nfs/dbraw/zinc/76/23/71/500762371.db2.gz UAMWYAGBCUVOAE-ZSXPUABSSA-N 2 1 372.557 3.194 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443975113 500786064 /nfs/dbraw/zinc/78/60/64/500786064.db2.gz YHTKITRJUYCIDJ-KRWDZBQOSA-N 2 1 355.482 3.101 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443975113 500786066 /nfs/dbraw/zinc/78/60/66/500786066.db2.gz YHTKITRJUYCIDJ-KRWDZBQOSA-N 2 1 355.482 3.101 20 0 FGADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438577288 500804357 /nfs/dbraw/zinc/80/43/57/500804357.db2.gz ROWVIXLZTIVDIB-QZTJIDSGSA-N 2 1 361.555 3.408 20 0 FGADMP COc1cc(OC)cc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444603276 500864722 /nfs/dbraw/zinc/86/47/22/500864722.db2.gz RKDDYCXHGYDQBZ-UHFFFAOYSA-N 2 1 361.530 3.092 20 0 FGADMP COc1cc(OC)cc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000444603276 500864724 /nfs/dbraw/zinc/86/47/24/500864724.db2.gz RKDDYCXHGYDQBZ-UHFFFAOYSA-N 2 1 361.530 3.092 20 0 FGADMP CN1CC[C@@H](C[N@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H]1c1cccnc1 ZINC000434726624 500884178 /nfs/dbraw/zinc/88/41/78/500884178.db2.gz BYZOLSPJTRDPRJ-YWZLYKJASA-N 2 1 354.429 3.487 20 0 FGADMP CN1CC[C@@H](C[N@@H+](C)Cc2nc3cc(F)ccc3o2)[C@@H]1c1cccnc1 ZINC000434726624 500884181 /nfs/dbraw/zinc/88/41/81/500884181.db2.gz BYZOLSPJTRDPRJ-YWZLYKJASA-N 2 1 354.429 3.487 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000434747467 500888123 /nfs/dbraw/zinc/88/81/23/500888123.db2.gz PCVIZTHSNYLXIG-LMNJBCLMSA-N 2 1 366.509 3.342 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000434747467 500888125 /nfs/dbraw/zinc/88/81/25/500888125.db2.gz PCVIZTHSNYLXIG-LMNJBCLMSA-N 2 1 366.509 3.342 20 0 FGADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000434747467 500888128 /nfs/dbraw/zinc/88/81/28/500888128.db2.gz PCVIZTHSNYLXIG-LMNJBCLMSA-N 2 1 366.509 3.342 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449080827 500919139 /nfs/dbraw/zinc/91/91/39/500919139.db2.gz ZMFKFZGZEXKOMV-OAHLLOKOSA-N 2 1 359.283 3.133 20 0 FGADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081211 500919538 /nfs/dbraw/zinc/91/95/38/500919538.db2.gz CPCUYRFQBCJNKA-ROUUACIJSA-N 2 1 366.571 3.438 20 0 FGADMP COCC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000449079411 500919740 /nfs/dbraw/zinc/91/97/40/500919740.db2.gz YQVFGMNWGGWHLV-KITAHSCOSA-N 2 1 359.558 3.160 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000449083455 500921035 /nfs/dbraw/zinc/92/10/35/500921035.db2.gz BSXDIKAGNUWFDS-MOPGFXCFSA-N 2 1 357.542 3.073 20 0 FGADMP COc1cc(F)cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)c1 ZINC000449231723 500953254 /nfs/dbraw/zinc/95/32/54/500953254.db2.gz FSYZQWMBUJGQJQ-HXUWFJFHSA-N 2 1 358.457 3.081 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435374719 500962041 /nfs/dbraw/zinc/96/20/41/500962041.db2.gz JYDRGADQQPGYLS-SJPCQFCGSA-N 2 1 360.452 3.482 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000435374719 500962045 /nfs/dbraw/zinc/96/20/45/500962045.db2.gz JYDRGADQQPGYLS-SJPCQFCGSA-N 2 1 360.452 3.482 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000449283366 500965734 /nfs/dbraw/zinc/96/57/34/500965734.db2.gz LMOLOPMQHQPPQT-NHCUHLMSSA-N 2 1 373.585 3.173 20 0 FGADMP CN(C)c1ncc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435426255 500972655 /nfs/dbraw/zinc/97/26/55/500972655.db2.gz HFHRJKDIMKJQCZ-INIZCTEOSA-N 2 1 362.568 3.415 20 0 FGADMP CN(C)c1ncc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)s1 ZINC000435426255 500972657 /nfs/dbraw/zinc/97/26/57/500972657.db2.gz HFHRJKDIMKJQCZ-INIZCTEOSA-N 2 1 362.568 3.415 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435626532 501004297 /nfs/dbraw/zinc/00/42/97/501004297.db2.gz OTFZIJIOXUVEPQ-SJLPKXTDSA-N 2 1 357.498 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435626532 501004301 /nfs/dbraw/zinc/00/43/01/501004301.db2.gz OTFZIJIOXUVEPQ-SJLPKXTDSA-N 2 1 357.498 3.416 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629449 501004665 /nfs/dbraw/zinc/00/46/65/501004665.db2.gz XLLZEVAJHLKWSA-IEBWSBKVSA-N 2 1 361.530 3.117 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435629449 501004667 /nfs/dbraw/zinc/00/46/67/501004667.db2.gz XLLZEVAJHLKWSA-IEBWSBKVSA-N 2 1 361.530 3.117 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435626529 501004701 /nfs/dbraw/zinc/00/47/01/501004701.db2.gz OTFZIJIOXUVEPQ-FUHWJXTLSA-N 2 1 357.498 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@@H]1CCC[NH2+]CC1 ZINC000435626529 501004703 /nfs/dbraw/zinc/00/47/03/501004703.db2.gz OTFZIJIOXUVEPQ-FUHWJXTLSA-N 2 1 357.498 3.416 20 0 FGADMP Cc1ccccc1OCCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435691652 501012866 /nfs/dbraw/zinc/01/28/66/501012866.db2.gz HHZUHYYCXHMQSG-FQEVSTJZSA-N 2 1 368.525 3.142 20 0 FGADMP Cc1ccccc1OCCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435691652 501012869 /nfs/dbraw/zinc/01/28/69/501012869.db2.gz HHZUHYYCXHMQSG-FQEVSTJZSA-N 2 1 368.525 3.142 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000435891428 501042064 /nfs/dbraw/zinc/04/20/64/501042064.db2.gz FFNTVYGFWCZDHN-NQSCKRDGSA-N 2 1 355.526 3.067 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000445871190 501044873 /nfs/dbraw/zinc/04/48/73/501044873.db2.gz JENHCUSSWBVXTM-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000449760849 501078825 /nfs/dbraw/zinc/07/88/25/501078825.db2.gz RWSWAXKAMRZRHC-UHFFFAOYSA-N 2 1 367.419 3.034 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255235 501096339 /nfs/dbraw/zinc/09/63/39/501096339.db2.gz UMWMVKRNLWNFEM-LAUBAEHRSA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436255235 501096343 /nfs/dbraw/zinc/09/63/43/501096343.db2.gz UMWMVKRNLWNFEM-LAUBAEHRSA-N 2 1 367.468 3.280 20 0 FGADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000450386924 501108112 /nfs/dbraw/zinc/10/81/12/501108112.db2.gz IBBSMJZKZQYRHQ-NRFANRHFSA-N 2 1 370.541 3.211 20 0 FGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441349156 501125232 /nfs/dbraw/zinc/12/52/32/501125232.db2.gz DZWRZUDBDMMFLZ-NRFANRHFSA-N 2 1 371.569 3.381 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)ccc2Cl)CC1(C)C ZINC000441380901 501130499 /nfs/dbraw/zinc/13/04/99/501130499.db2.gz LHSBYPDUMHGWAF-UHFFFAOYSA-N 2 1 374.754 3.218 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)C1CCC(C)(C)CC1 ZINC000446710433 501154829 /nfs/dbraw/zinc/15/48/29/501154829.db2.gz FKNUQXOQVXXRLZ-UHFFFAOYSA-N 2 1 373.541 3.358 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(F)c(I)c1 ZINC000453054267 501259467 /nfs/dbraw/zinc/25/94/67/501259467.db2.gz HESDDGPJLJHJKO-SNVBAGLBSA-N 2 1 350.219 3.033 20 0 FGADMP CC[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000457705441 501291808 /nfs/dbraw/zinc/29/18/08/501291808.db2.gz ZJHAMTANGCJLHK-FQEVSTJZSA-N 2 1 374.573 3.243 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1=O ZINC000453208532 501292079 /nfs/dbraw/zinc/29/20/79/501292079.db2.gz BYLUZACOOSBVIP-VSKRKVRLSA-N 2 1 365.521 3.401 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1cccnc1 ZINC000453234376 501295391 /nfs/dbraw/zinc/29/53/91/501295391.db2.gz SGHYOGRHIVUWHO-MYDTUXCISA-N 2 1 365.521 3.190 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)s1 ZINC000453251131 501299179 /nfs/dbraw/zinc/29/91/79/501299179.db2.gz LCQQHDNVQNXGQY-OTWHNJEPSA-N 2 1 356.539 3.422 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000453312569 501312886 /nfs/dbraw/zinc/31/28/86/501312886.db2.gz VGVFAIVQUQNVTP-NVXWUHKLSA-N 2 1 350.503 3.107 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530569 501314217 /nfs/dbraw/zinc/31/42/17/501314217.db2.gz PYVVMTJWCOETLH-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530569 501314221 /nfs/dbraw/zinc/31/42/21/501314221.db2.gz PYVVMTJWCOETLH-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530569 501314222 /nfs/dbraw/zinc/31/42/22/501314222.db2.gz PYVVMTJWCOETLH-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000451530569 501314225 /nfs/dbraw/zinc/31/42/25/501314225.db2.gz PYVVMTJWCOETLH-QHCPKHFHSA-N 2 1 371.569 3.194 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000453331358 501315772 /nfs/dbraw/zinc/31/57/72/501315772.db2.gz FGHZKEUDQVEFRL-RPUPUWCGSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000453331358 501315775 /nfs/dbraw/zinc/31/57/75/501315775.db2.gz FGHZKEUDQVEFRL-RPUPUWCGSA-N 2 1 368.525 3.140 20 0 FGADMP CN1CCO[C@@H]([C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420159 501328141 /nfs/dbraw/zinc/32/81/41/501328141.db2.gz ZJSCITQISRNFCX-WOJBJXKFSA-N 2 1 365.949 3.176 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@H]1C ZINC000451574685 501328529 /nfs/dbraw/zinc/32/85/29/501328529.db2.gz RUXGPSBUOFHTJR-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@H]1C ZINC000451574685 501328531 /nfs/dbraw/zinc/32/85/31/501328531.db2.gz RUXGPSBUOFHTJR-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](OC)[C@H](C)C3)cc2)C[C@H]1C ZINC000451574685 501328534 /nfs/dbraw/zinc/32/85/34/501328534.db2.gz RUXGPSBUOFHTJR-YHBROIRLSA-N 2 1 360.542 3.400 20 0 FGADMP Cn1nncc1C[N@H+]1CCCCC[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453597253 501357625 /nfs/dbraw/zinc/35/76/25/501357625.db2.gz LEWJAVAYGABTEB-JOCHJYFZSA-N 2 1 367.541 3.472 20 0 FGADMP CC1(C)C[C@@H](O)CC[N@@H+](CCCCC[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451816916 501378725 /nfs/dbraw/zinc/37/87/25/501378725.db2.gz YNYIRGGGUUWKMF-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP CC1(C)C[C@@H](O)CC[NH+](CCCCC[N@@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451816916 501378727 /nfs/dbraw/zinc/37/87/27/501378727.db2.gz YNYIRGGGUUWKMF-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP CC1(C)C[C@@H](O)CC[NH+](CCCCC[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000451816916 501378729 /nfs/dbraw/zinc/37/87/29/501378729.db2.gz YNYIRGGGUUWKMF-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)ccc1OCC[NH+](C)C ZINC000458206652 501393090 /nfs/dbraw/zinc/39/30/90/501393090.db2.gz ZVFFQULPCHANFQ-IBGZPJMESA-N 2 1 359.514 3.281 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000458236643 501400541 /nfs/dbraw/zinc/40/05/41/501400541.db2.gz YVLHIPWSUPMLJM-FQEVSTJZSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H]1CCC(C)(C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000452019749 501419704 /nfs/dbraw/zinc/41/97/04/501419704.db2.gz YZNHNUMFDMFLKM-INIZCTEOSA-N 2 1 361.555 3.437 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452118448 501438904 /nfs/dbraw/zinc/43/89/04/501438904.db2.gz PCKVKUCWCABUSG-KRWDZBQOSA-N 2 1 374.447 3.083 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519182 501464607 /nfs/dbraw/zinc/46/46/07/501464607.db2.gz WCDFCTBHJUHCAR-HMXCVIKNSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519182 501464609 /nfs/dbraw/zinc/46/46/09/501464609.db2.gz WCDFCTBHJUHCAR-HMXCVIKNSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000458519182 501464611 /nfs/dbraw/zinc/46/46/11/501464611.db2.gz WCDFCTBHJUHCAR-HMXCVIKNSA-N 2 1 372.557 3.021 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000454242401 501489876 /nfs/dbraw/zinc/48/98/76/501489876.db2.gz KEFCLYCCGBWMOU-UHFFFAOYSA-N 2 1 372.557 3.000 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689413 501508734 /nfs/dbraw/zinc/50/87/34/501508734.db2.gz SSDAQFLKZRALHV-CEWLAPEOSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459271215 501622914 /nfs/dbraw/zinc/62/29/14/501622914.db2.gz VWYGNNJCALUANY-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459271215 501622915 /nfs/dbraw/zinc/62/29/15/501622915.db2.gz VWYGNNJCALUANY-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000459271215 501622917 /nfs/dbraw/zinc/62/29/17/501622917.db2.gz VWYGNNJCALUANY-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459330828 501632073 /nfs/dbraw/zinc/63/20/73/501632073.db2.gz ZVCZMROBCDYNFB-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330828 501632075 /nfs/dbraw/zinc/63/20/75/501632075.db2.gz ZVCZMROBCDYNFB-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330828 501632076 /nfs/dbraw/zinc/63/20/76/501632076.db2.gz ZVCZMROBCDYNFB-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459330829 501632224 /nfs/dbraw/zinc/63/22/24/501632224.db2.gz ZVCZMROBCDYNFB-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330829 501632225 /nfs/dbraw/zinc/63/22/25/501632225.db2.gz ZVCZMROBCDYNFB-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330829 501632228 /nfs/dbraw/zinc/63/22/28/501632228.db2.gz ZVCZMROBCDYNFB-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP FC(F)(F)c1ccc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000459374803 501641998 /nfs/dbraw/zinc/64/19/98/501641998.db2.gz MGJRJZMMIZPPBQ-UHFFFAOYSA-N 2 1 368.447 3.286 20 0 FGADMP Cc1cc(CNCc2cc(C(F)(F)F)ccc2N2CCN(C)CC2)no1 ZINC000459411442 501648980 /nfs/dbraw/zinc/64/89/80/501648980.db2.gz LMCNLJCRIPAAPA-UHFFFAOYSA-N 2 1 368.403 3.043 20 0 FGADMP CC(C)(C)C1CC([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000459428869 501652544 /nfs/dbraw/zinc/65/25/44/501652544.db2.gz OQZVJIFGKMYFRA-HDYDNRTBSA-N 2 1 357.542 3.298 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000459436198 501653576 /nfs/dbraw/zinc/65/35/76/501653576.db2.gz FLXZGVGAIKEHCA-QFBILLFUSA-N 2 1 374.554 3.049 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442174 501654453 /nfs/dbraw/zinc/65/44/53/501654453.db2.gz WVGNTUXGVCZFPE-TZIWHRDSSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442174 501654456 /nfs/dbraw/zinc/65/44/56/501654456.db2.gz WVGNTUXGVCZFPE-TZIWHRDSSA-N 2 1 358.913 3.355 20 0 FGADMP CN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000459445709 501655538 /nfs/dbraw/zinc/65/55/38/501655538.db2.gz SIHLZJIHJXYLJT-MOPGFXCFSA-N 2 1 351.897 3.441 20 0 FGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1O ZINC000459577463 501680095 /nfs/dbraw/zinc/68/00/95/501680095.db2.gz WEQLOFTXJXGDIB-AGUYFDCRSA-N 2 1 369.303 3.268 20 0 FGADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1O ZINC000459577463 501680097 /nfs/dbraw/zinc/68/00/97/501680097.db2.gz WEQLOFTXJXGDIB-AGUYFDCRSA-N 2 1 369.303 3.268 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2csc(-c3ccc4c(c3)OCO4)n2)C1 ZINC000459743211 501707509 /nfs/dbraw/zinc/70/75/09/501707509.db2.gz WXNMORDOTNHCDB-AWEZNQCLSA-N 2 1 359.495 3.360 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470603049 501740124 /nfs/dbraw/zinc/74/01/24/501740124.db2.gz SAZSSKJTXLBWRD-DLBZAZTESA-N 2 1 371.447 3.299 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000460178690 501750073 /nfs/dbraw/zinc/75/00/73/501750073.db2.gz WJZLVKWCOCOKIQ-IBGZPJMESA-N 2 1 374.573 3.379 20 0 FGADMP C[NH+](C)CC1(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CCCCC1 ZINC000460196257 501756343 /nfs/dbraw/zinc/75/63/43/501756343.db2.gz VLATXHVRRRUPHW-UHFFFAOYSA-N 2 1 357.542 3.063 20 0 FGADMP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000474256347 501763496 /nfs/dbraw/zinc/76/34/96/501763496.db2.gz TZERNZQBBSKBAX-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c1 ZINC000467353854 501775648 /nfs/dbraw/zinc/77/56/48/501775648.db2.gz BDOGAUCHSSZOBQ-JLLPCOHGSA-N 2 1 364.533 3.399 20 0 FGADMP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470752965 501791693 /nfs/dbraw/zinc/79/16/93/501791693.db2.gz CLADIQDKBFFPNA-OAQYLSRUSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485357885 501797127 /nfs/dbraw/zinc/79/71/27/501797127.db2.gz MPTJXHMWGFVVKX-DWLFOUALSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485357885 501797134 /nfs/dbraw/zinc/79/71/34/501797134.db2.gz MPTJXHMWGFVVKX-DWLFOUALSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343618 501797713 /nfs/dbraw/zinc/79/77/13/501797713.db2.gz PJNGWPVNBMVOCJ-PXUBBOAPSA-N 2 1 371.569 3.237 20 0 FGADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343618 501797716 /nfs/dbraw/zinc/79/77/16/501797716.db2.gz PJNGWPVNBMVOCJ-PXUBBOAPSA-N 2 1 371.569 3.237 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375079 501807568 /nfs/dbraw/zinc/80/75/68/501807568.db2.gz KCOSFPBKDFUGQG-NHCUHLMSSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375079 501807571 /nfs/dbraw/zinc/80/75/71/501807571.db2.gz KCOSFPBKDFUGQG-NHCUHLMSSA-N 2 1 369.484 3.382 20 0 FGADMP Clc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400580 501822556 /nfs/dbraw/zinc/82/25/56/501822556.db2.gz XEUTXXMRZLAJAV-HNAYVOBHSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400580 501822560 /nfs/dbraw/zinc/82/25/60/501822560.db2.gz XEUTXXMRZLAJAV-HNAYVOBHSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400580 501822567 /nfs/dbraw/zinc/82/25/67/501822567.db2.gz XEUTXXMRZLAJAV-HNAYVOBHSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400580 501822574 /nfs/dbraw/zinc/82/25/74/501822574.db2.gz XEUTXXMRZLAJAV-HNAYVOBHSA-N 2 1 371.916 3.369 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000460484405 501836492 /nfs/dbraw/zinc/83/64/92/501836492.db2.gz XDJVCJDKXICNTF-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460484405 501836496 /nfs/dbraw/zinc/83/64/96/501836496.db2.gz XDJVCJDKXICNTF-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460484405 501836499 /nfs/dbraw/zinc/83/64/99/501836499.db2.gz XDJVCJDKXICNTF-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000460484404 501836607 /nfs/dbraw/zinc/83/66/07/501836607.db2.gz XDJVCJDKXICNTF-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460484404 501836613 /nfs/dbraw/zinc/83/66/13/501836613.db2.gz XDJVCJDKXICNTF-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460484404 501836618 /nfs/dbraw/zinc/83/66/18/501836618.db2.gz XDJVCJDKXICNTF-SVFBPWRDSA-N 2 1 374.573 3.317 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885625 501842439 /nfs/dbraw/zinc/84/24/39/501842439.db2.gz FAASFIBDSMGCMR-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470885625 501842440 /nfs/dbraw/zinc/84/24/40/501842440.db2.gz FAASFIBDSMGCMR-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470885625 501842441 /nfs/dbraw/zinc/84/24/41/501842441.db2.gz FAASFIBDSMGCMR-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000474464487 501844468 /nfs/dbraw/zinc/84/44/68/501844468.db2.gz POTKKULXSZNUDL-FCHUYYIVSA-N 2 1 359.558 3.119 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000458776453 501869793 /nfs/dbraw/zinc/86/97/93/501869793.db2.gz NLTSJHTXULOFDN-MJGOQNOKSA-N 2 1 360.546 3.069 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969417 501875175 /nfs/dbraw/zinc/87/51/75/501875175.db2.gz CBPYBWVQUJAMLT-FPOVZHCZSA-N 2 1 368.521 3.243 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969417 501875181 /nfs/dbraw/zinc/87/51/81/501875181.db2.gz CBPYBWVQUJAMLT-FPOVZHCZSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969417 501875188 /nfs/dbraw/zinc/87/51/88/501875188.db2.gz CBPYBWVQUJAMLT-FPOVZHCZSA-N 2 1 368.521 3.243 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000470969417 501875194 /nfs/dbraw/zinc/87/51/94/501875194.db2.gz CBPYBWVQUJAMLT-FPOVZHCZSA-N 2 1 368.521 3.243 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677628 501899231 /nfs/dbraw/zinc/89/92/31/501899231.db2.gz GFNBQKYECNNKIY-PBHICJAKSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677628 501899234 /nfs/dbraw/zinc/89/92/34/501899234.db2.gz GFNBQKYECNNKIY-PBHICJAKSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677628 501899241 /nfs/dbraw/zinc/89/92/41/501899241.db2.gz GFNBQKYECNNKIY-PBHICJAKSA-N 2 1 367.921 3.339 20 0 FGADMP CN(C)c1nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987975 501937239 /nfs/dbraw/zinc/93/72/39/501937239.db2.gz DKTVHRHVLJMJHS-OALUTQOASA-N 2 1 351.498 3.034 20 0 FGADMP CN(C)c1nc(N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc[nH+]1 ZINC000481987975 501937247 /nfs/dbraw/zinc/93/72/47/501937247.db2.gz DKTVHRHVLJMJHS-OALUTQOASA-N 2 1 351.498 3.034 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033580 501952198 /nfs/dbraw/zinc/95/21/98/501952198.db2.gz OVYHFSHZGGMVLZ-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)CC1CCCC1 ZINC000482033580 501952202 /nfs/dbraw/zinc/95/22/02/501952202.db2.gz OVYHFSHZGGMVLZ-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000471219102 501958656 /nfs/dbraw/zinc/95/86/56/501958656.db2.gz GIOAUGREDWMCLL-QZTJIDSGSA-N 2 1 351.922 3.179 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244293 501966772 /nfs/dbraw/zinc/96/67/72/501966772.db2.gz PFOXBUREHOXWQN-RHSMWYFYSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244293 501966774 /nfs/dbraw/zinc/96/67/74/501966774.db2.gz PFOXBUREHOXWQN-RHSMWYFYSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(Br)cc2)[C@H](C)C1 ZINC000471244293 501966776 /nfs/dbraw/zinc/96/67/76/501966776.db2.gz PFOXBUREHOXWQN-RHSMWYFYSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000482122842 501981139 /nfs/dbraw/zinc/98/11/39/501981139.db2.gz GCCIDCQNBUMXJX-YLJYHZDGSA-N 2 1 374.529 3.074 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000482135365 501985855 /nfs/dbraw/zinc/98/58/55/501985855.db2.gz DPVWMUJMSWKTEO-RDTXWAMCSA-N 2 1 353.457 3.394 20 0 FGADMP CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475020051 502023672 /nfs/dbraw/zinc/02/36/72/502023672.db2.gz XFQRGFCIZWBOOD-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000475029074 502027738 /nfs/dbraw/zinc/02/77/38/502027738.db2.gz BUXVSLZDGAPSPN-OAQYLSRUSA-N 2 1 371.500 3.455 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000475036664 502030083 /nfs/dbraw/zinc/03/00/83/502030083.db2.gz ZGZHTDIEWCVMPS-FQEVSTJZSA-N 2 1 365.477 3.284 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1cc2ccccc2o1)c1ccccc1 ZINC000475036664 502030088 /nfs/dbraw/zinc/03/00/88/502030088.db2.gz ZGZHTDIEWCVMPS-FQEVSTJZSA-N 2 1 365.477 3.284 20 0 FGADMP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000475039058 502031051 /nfs/dbraw/zinc/03/10/51/502031051.db2.gz OFCXEVQNTFBGAM-LJQANCHMSA-N 2 1 359.539 3.378 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccs1 ZINC000475039058 502031052 /nfs/dbraw/zinc/03/10/52/502031052.db2.gz OFCXEVQNTFBGAM-LJQANCHMSA-N 2 1 359.539 3.378 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@](C)(c2ccccc2)C1)c1ccccc1 ZINC000475042311 502032524 /nfs/dbraw/zinc/03/25/24/502032524.db2.gz WVVAEXPYWMVXNA-FYYLOGMGSA-N 2 1 365.521 3.069 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000468416441 502053672 /nfs/dbraw/zinc/05/36/72/502053672.db2.gz ILFDQWPRKAHHRE-QRVBRYPASA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000468416441 502053679 /nfs/dbraw/zinc/05/36/79/502053679.db2.gz ILFDQWPRKAHHRE-QRVBRYPASA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000468416441 502053684 /nfs/dbraw/zinc/05/36/84/502053684.db2.gz ILFDQWPRKAHHRE-QRVBRYPASA-N 2 1 357.542 3.408 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000475128159 502069552 /nfs/dbraw/zinc/06/95/52/502069552.db2.gz FWYCIUULSUMLGB-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000478759812 502077607 /nfs/dbraw/zinc/07/76/07/502077607.db2.gz JIDXUPPWGGRBAA-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000461378073 502086121 /nfs/dbraw/zinc/08/61/21/502086121.db2.gz XALWATNPFPZNDC-FQEVSTJZSA-N 2 1 372.557 3.267 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000464777460 502090306 /nfs/dbraw/zinc/09/03/06/502090306.db2.gz PKEKCDAGULVBPY-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000464777460 502090310 /nfs/dbraw/zinc/09/03/10/502090310.db2.gz PKEKCDAGULVBPY-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526067 502099991 /nfs/dbraw/zinc/09/99/91/502099991.db2.gz SMULXXFKAZXGSZ-MJGOQNOKSA-N 2 1 371.525 3.411 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(-c2ccncc2)cc1 ZINC000482568662 502113790 /nfs/dbraw/zinc/11/37/90/502113790.db2.gz IIGAGYDLUBAXMG-IBGZPJMESA-N 2 1 352.526 3.427 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H](C2CC2)O1 ZINC000475277166 502115666 /nfs/dbraw/zinc/11/56/66/502115666.db2.gz DKAUNUALKUJAND-VGSWGCGISA-N 2 1 357.542 3.216 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000461448081 502117752 /nfs/dbraw/zinc/11/77/52/502117752.db2.gz OTISRGJYVFNZJX-FDFHNCONSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448081 502117759 /nfs/dbraw/zinc/11/77/59/502117759.db2.gz OTISRGJYVFNZJX-FDFHNCONSA-N 2 1 369.553 3.231 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461448081 502117765 /nfs/dbraw/zinc/11/77/65/502117765.db2.gz OTISRGJYVFNZJX-FDFHNCONSA-N 2 1 369.553 3.231 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@@H](C)C1 ZINC000482620580 502128313 /nfs/dbraw/zinc/12/83/13/502128313.db2.gz UHVXGGCCMTVVBD-LPHOPBHVSA-N 2 1 352.494 3.451 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC)c(F)c2)[C@@H](C)C1 ZINC000482620580 502128318 /nfs/dbraw/zinc/12/83/18/502128318.db2.gz UHVXGGCCMTVVBD-LPHOPBHVSA-N 2 1 352.494 3.451 20 0 FGADMP C[C@H](NC(=O)NCC(C)(C)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000479063804 502151513 /nfs/dbraw/zinc/15/15/13/502151513.db2.gz PPFYSZYATYRZGD-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000486532910 502183008 /nfs/dbraw/zinc/18/30/08/502183008.db2.gz GHRAAAUHTLSYRL-FXAWDEMLSA-N 2 1 361.493 3.472 20 0 FGADMP C[C@H]([NH2+]Cc1cc(-c2cccnc2)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486532910 502183011 /nfs/dbraw/zinc/18/30/11/502183011.db2.gz GHRAAAUHTLSYRL-FXAWDEMLSA-N 2 1 361.493 3.472 20 0 FGADMP CC[C@@H](C)C[N@@H+](CC)CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000482889244 502207468 /nfs/dbraw/zinc/20/74/68/502207468.db2.gz LMAOIYYIWAQLDX-GOSISDBHSA-N 2 1 359.558 3.444 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccc(Cn3cncn3)cc2)CC1 ZINC000461876195 502220097 /nfs/dbraw/zinc/22/00/97/502220097.db2.gz HBHBKSZLMOVDDG-UHFFFAOYSA-N 2 1 361.493 3.177 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000472076925 502222606 /nfs/dbraw/zinc/22/26/06/502222606.db2.gz XADOPTMKFBEISQ-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCCN1Cc1ccccc1 ZINC000468914956 502228181 /nfs/dbraw/zinc/22/81/81/502228181.db2.gz KKBNFMHKNPBDNA-FCHUYYIVSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468914956 502228188 /nfs/dbraw/zinc/22/81/88/502228188.db2.gz KKBNFMHKNPBDNA-FCHUYYIVSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000468914956 502228194 /nfs/dbraw/zinc/22/81/94/502228194.db2.gz KKBNFMHKNPBDNA-FCHUYYIVSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000468914956 502228202 /nfs/dbraw/zinc/22/82/02/502228202.db2.gz KKBNFMHKNPBDNA-FCHUYYIVSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000468914956 502228208 /nfs/dbraw/zinc/22/82/08/502228208.db2.gz KKBNFMHKNPBDNA-FCHUYYIVSA-N 2 1 369.553 3.422 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000472150673 502248761 /nfs/dbraw/zinc/24/87/61/502248761.db2.gz FEHBUZOGQPTRJF-BHIFYINESA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000472150673 502248764 /nfs/dbraw/zinc/24/87/64/502248764.db2.gz FEHBUZOGQPTRJF-BHIFYINESA-N 2 1 360.542 3.149 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000472150673 502248769 /nfs/dbraw/zinc/24/87/69/502248769.db2.gz FEHBUZOGQPTRJF-BHIFYINESA-N 2 1 360.542 3.149 20 0 FGADMP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465395782 502249653 /nfs/dbraw/zinc/24/96/53/502249653.db2.gz AHZYLBPPUXBDSD-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465458095 502269387 /nfs/dbraw/zinc/26/93/87/502269387.db2.gz YSHDOCIAUDAURH-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)CC1 ZINC000462003384 502269721 /nfs/dbraw/zinc/26/97/21/502269721.db2.gz BDGRGWBDDFUMGY-UHFFFAOYSA-N 2 1 371.569 3.274 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000462004486 502270978 /nfs/dbraw/zinc/27/09/78/502270978.db2.gz ADWDSVFBLNHGRT-RBUKOAKNSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000462004486 502270982 /nfs/dbraw/zinc/27/09/82/502270982.db2.gz ADWDSVFBLNHGRT-RBUKOAKNSA-N 2 1 366.594 3.401 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462004486 502270985 /nfs/dbraw/zinc/27/09/85/502270985.db2.gz ADWDSVFBLNHGRT-RBUKOAKNSA-N 2 1 366.594 3.401 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000472258869 502286846 /nfs/dbraw/zinc/28/68/46/502286846.db2.gz KRUSYBNCKSQDKR-GOSISDBHSA-N 2 1 367.921 3.101 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1 ZINC000465545171 502300871 /nfs/dbraw/zinc/30/08/71/502300871.db2.gz BMIPOEZOIPBTCY-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545171 502300876 /nfs/dbraw/zinc/30/08/76/502300876.db2.gz BMIPOEZOIPBTCY-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000465545171 502300881 /nfs/dbraw/zinc/30/08/81/502300881.db2.gz BMIPOEZOIPBTCY-WIYYLYMNSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000465553278 502305827 /nfs/dbraw/zinc/30/58/27/502305827.db2.gz QXOICVYWBCMRFI-UEXGIBASSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000465553278 502305828 /nfs/dbraw/zinc/30/58/28/502305828.db2.gz QXOICVYWBCMRFI-UEXGIBASSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000465553278 502305831 /nfs/dbraw/zinc/30/58/31/502305831.db2.gz QXOICVYWBCMRFI-UEXGIBASSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@@H]3C)cc2)CC[NH+]1C ZINC000465553281 502305878 /nfs/dbraw/zinc/30/58/78/502305878.db2.gz QXOICVYWBCMRFI-WAOWUJCRSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@@H+]1C ZINC000465553281 502305881 /nfs/dbraw/zinc/30/58/81/502305881.db2.gz QXOICVYWBCMRFI-WAOWUJCRSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)CC[N@H+]1C ZINC000465553281 502305884 /nfs/dbraw/zinc/30/58/84/502305884.db2.gz QXOICVYWBCMRFI-WAOWUJCRSA-N 2 1 372.557 3.343 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000462107556 502309316 /nfs/dbraw/zinc/30/93/16/502309316.db2.gz APGVHUPSFXUOFI-MRXNPFEDSA-N 2 1 352.482 3.469 20 0 FGADMP O[C@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000462115148 502311265 /nfs/dbraw/zinc/31/12/65/502311265.db2.gz DASLLTQQZXSXHE-SFTDATJTSA-N 2 1 356.897 3.034 20 0 FGADMP O[C@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115148 502311269 /nfs/dbraw/zinc/31/12/69/502311269.db2.gz DASLLTQQZXSXHE-SFTDATJTSA-N 2 1 356.897 3.034 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C ZINC000465581311 502315314 /nfs/dbraw/zinc/31/53/14/502315314.db2.gz YFZFBTOHVJIPRC-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000465581311 502315318 /nfs/dbraw/zinc/31/53/18/502315318.db2.gz YFZFBTOHVJIPRC-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000465581311 502315324 /nfs/dbraw/zinc/31/53/24/502315324.db2.gz YFZFBTOHVJIPRC-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475902875 502327243 /nfs/dbraw/zinc/32/72/43/502327243.db2.gz XFPUBIOKFHDENK-DENIHFKCSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCN(CC)c2ccccc2)C1 ZINC000465626627 502329963 /nfs/dbraw/zinc/32/99/63/502329963.db2.gz JAKOHJIIIQUSNU-IBGZPJMESA-N 2 1 360.546 3.276 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CC2CC2)C2CCC2)CC1 ZINC000483304647 502345625 /nfs/dbraw/zinc/34/56/25/502345625.db2.gz QPUIOLPSWDTVPL-UHFFFAOYSA-N 2 1 369.553 3.340 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[NH+](C)C(C)C)CC[N@H+]1C ZINC000487086993 502354304 /nfs/dbraw/zinc/35/43/04/502354304.db2.gz ORMOPSYLGWPUBE-HXUWFJFHSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC[NH+]1C ZINC000487086993 502354306 /nfs/dbraw/zinc/35/43/06/502354306.db2.gz ORMOPSYLGWPUBE-HXUWFJFHSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC[NH+]1C ZINC000487086993 502354308 /nfs/dbraw/zinc/35/43/08/502354308.db2.gz ORMOPSYLGWPUBE-HXUWFJFHSA-N 2 1 360.546 3.008 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000472446417 502354585 /nfs/dbraw/zinc/35/45/85/502354585.db2.gz JAAJGFHVNLAGAA-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011714 502357720 /nfs/dbraw/zinc/35/77/20/502357720.db2.gz NWUJGZUZGWWNSU-RBUKOAKNSA-N 2 1 357.542 3.064 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744690 502368042 /nfs/dbraw/zinc/36/80/42/502368042.db2.gz FFJHYJVOCXGBPC-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465744690 502368046 /nfs/dbraw/zinc/36/80/46/502368046.db2.gz FFJHYJVOCXGBPC-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465744690 502368049 /nfs/dbraw/zinc/36/80/49/502368049.db2.gz FFJHYJVOCXGBPC-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753534 502371350 /nfs/dbraw/zinc/37/13/50/502371350.db2.gz KFHBBOBQINFQKU-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465753534 502371352 /nfs/dbraw/zinc/37/13/52/502371352.db2.gz KFHBBOBQINFQKU-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465753534 502371354 /nfs/dbraw/zinc/37/13/54/502371354.db2.gz KFHBBOBQINFQKU-PKOBYXMFSA-N 2 1 364.578 3.061 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686986 506309411 /nfs/dbraw/zinc/30/94/11/506309411.db2.gz JJHJCZQZQIKJPA-UNMCSNQZSA-N 2 1 356.510 3.475 20 0 FGADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)C)cc1 ZINC000588686986 506309416 /nfs/dbraw/zinc/30/94/16/506309416.db2.gz JJHJCZQZQIKJPA-UNMCSNQZSA-N 2 1 356.510 3.475 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465767553 502376934 /nfs/dbraw/zinc/37/69/34/502376934.db2.gz CAQCOZPQEZPJCQ-LZLYRXPVSA-N 2 1 366.575 3.161 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000479851624 502397293 /nfs/dbraw/zinc/39/72/93/502397293.db2.gz OOIVXOUJCIEFCJ-JRGCBEDISA-N 2 1 365.537 3.155 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000479997589 502441587 /nfs/dbraw/zinc/44/15/87/502441587.db2.gz ZDEWOULOBSLTSJ-UHFFFAOYSA-N 2 1 362.514 3.232 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000466005176 502451602 /nfs/dbraw/zinc/45/16/02/502451602.db2.gz UILKRCCCKYBVAU-PKOBYXMFSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000483676107 502458591 /nfs/dbraw/zinc/45/85/91/502458591.db2.gz FFQIXFAWZZLQEK-RBUKOAKNSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676222 502459721 /nfs/dbraw/zinc/45/97/21/502459721.db2.gz BNLVNUFJYKSDDG-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676222 502459724 /nfs/dbraw/zinc/45/97/24/502459724.db2.gz BNLVNUFJYKSDDG-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000483676222 502459728 /nfs/dbraw/zinc/45/97/28/502459728.db2.gz BNLVNUFJYKSDDG-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)CC(C)C ZINC000483716867 502474024 /nfs/dbraw/zinc/47/40/24/502474024.db2.gz UCMPHHIFPSKIIN-FHWLQOOXSA-N 2 1 354.583 3.257 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000483786053 502492279 /nfs/dbraw/zinc/49/22/79/502492279.db2.gz SWXDJBCOYWKQES-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483786053 502492281 /nfs/dbraw/zinc/49/22/81/502492281.db2.gz SWXDJBCOYWKQES-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000483786053 502492283 /nfs/dbraw/zinc/49/22/83/502492283.db2.gz SWXDJBCOYWKQES-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480493 502500879 /nfs/dbraw/zinc/50/08/79/502500879.db2.gz ADOMJBQVDRRUBQ-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000476480493 502500882 /nfs/dbraw/zinc/50/08/82/502500882.db2.gz ADOMJBQVDRRUBQ-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000476480493 502500886 /nfs/dbraw/zinc/50/08/86/502500886.db2.gz ADOMJBQVDRRUBQ-RBUKOAKNSA-N 2 1 360.546 3.071 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1C ZINC000483822123 502501452 /nfs/dbraw/zinc/50/14/52/502501452.db2.gz RZFOFXYPPFMIPP-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000588709378 506317451 /nfs/dbraw/zinc/31/74/51/506317451.db2.gz VZUKSWDGIHGTGG-UHFFFAOYSA-N 2 1 361.511 3.256 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000480304889 502532202 /nfs/dbraw/zinc/53/22/02/502532202.db2.gz DTBGMHUSOJUVBT-UGKGYDQZSA-N 2 1 370.541 3.141 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000476654290 502552021 /nfs/dbraw/zinc/55/20/21/502552021.db2.gz LCFMKACHMWFEEX-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000476654290 502552025 /nfs/dbraw/zinc/55/20/25/502552025.db2.gz LCFMKACHMWFEEX-QAPCUYQASA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000462789325 502573954 /nfs/dbraw/zinc/57/39/54/502573954.db2.gz FROZFHWNJQVFGE-SFHVURJKSA-N 2 1 374.525 3.232 20 0 FGADMP CCC[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466466234 502578896 /nfs/dbraw/zinc/57/88/96/502578896.db2.gz OZXURJNOBGRDCY-HXUWFJFHSA-N 2 1 357.542 3.411 20 0 FGADMP COCCCN1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462798628 502579682 /nfs/dbraw/zinc/57/96/82/502579682.db2.gz RIUUQWKERHBDON-UHFFFAOYSA-N 2 1 362.514 3.232 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462798628 502579690 /nfs/dbraw/zinc/57/96/90/502579690.db2.gz RIUUQWKERHBDON-UHFFFAOYSA-N 2 1 362.514 3.232 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H]([N@H+](C)C[C@@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098500 502627390 /nfs/dbraw/zinc/62/73/90/502627390.db2.gz BSVRCDTZUGYBCD-QSUVIHHLSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]([NH+](C)C[C@@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098500 502627397 /nfs/dbraw/zinc/62/73/97/502627397.db2.gz BSVRCDTZUGYBCD-QSUVIHHLSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C[C@@H]3CCO[C@@H](C)C3)CC2)CCO1 ZINC000488098500 502627403 /nfs/dbraw/zinc/62/74/03/502627403.db2.gz BSVRCDTZUGYBCD-QSUVIHHLSA-N 2 1 352.563 3.403 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480677186 502639339 /nfs/dbraw/zinc/63/93/39/502639339.db2.gz PDAWTBPQJXECQY-OQLXKQOESA-N 2 1 373.585 3.406 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2cc1OCC ZINC000488173137 502646838 /nfs/dbraw/zinc/64/68/38/502646838.db2.gz BTNLNPRLRZNCLH-HZPDHXFCSA-N 2 1 355.482 3.493 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716643 502652097 /nfs/dbraw/zinc/65/20/97/502652097.db2.gz YODRUCXMSFORDZ-NQIIRXRSSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000480716643 502652102 /nfs/dbraw/zinc/65/21/02/502652102.db2.gz YODRUCXMSFORDZ-NQIIRXRSSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000480716643 502652105 /nfs/dbraw/zinc/65/21/05/502652105.db2.gz YODRUCXMSFORDZ-NQIIRXRSSA-N 2 1 369.553 3.204 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)[NH+](CC)CC ZINC000470083510 502653789 /nfs/dbraw/zinc/65/37/89/502653789.db2.gz VYEPUWBBOWIIBD-FXAWDEMLSA-N 2 1 361.530 3.466 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000480739355 502658876 /nfs/dbraw/zinc/65/88/76/502658876.db2.gz MSVKXSJVVKABFK-TZIWHRDSSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000480739355 502658886 /nfs/dbraw/zinc/65/88/86/502658886.db2.gz MSVKXSJVVKABFK-TZIWHRDSSA-N 2 1 374.573 3.299 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCSc3ccccc32)CC1 ZINC000488314167 502681606 /nfs/dbraw/zinc/68/16/06/502681606.db2.gz XBKITPNWFUPPSW-UHFFFAOYSA-N 2 1 361.555 3.179 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000480896504 502699785 /nfs/dbraw/zinc/69/97/85/502699785.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000480896504 502699789 /nfs/dbraw/zinc/69/97/89/502699789.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 2 1 365.537 3.155 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000480896504 502699794 /nfs/dbraw/zinc/69/97/94/502699794.db2.gz CYUJDSSJLIZFJJ-JRGCBEDISA-N 2 1 365.537 3.155 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463120503 502700982 /nfs/dbraw/zinc/70/09/82/502700982.db2.gz WNBUJTJSTNWARQ-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463120503 502700987 /nfs/dbraw/zinc/70/09/87/502700987.db2.gz WNBUJTJSTNWARQ-ICSRJNTNSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccc(-c2nnc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)cc1 ZINC000466917054 502725606 /nfs/dbraw/zinc/72/56/06/502725606.db2.gz ZFEPNEJBFFRWOF-UHFFFAOYSA-N 2 1 370.497 3.122 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000470361888 502749505 /nfs/dbraw/zinc/74/95/05/502749505.db2.gz LZRBGXVCMDITIA-PKOBYXMFSA-N 2 1 363.505 3.320 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000470373405 502753933 /nfs/dbraw/zinc/75/39/33/502753933.db2.gz LSIIACGOCRLVBR-MOPGFXCFSA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1ccc(Cl)cc1 ZINC000470373405 502753936 /nfs/dbraw/zinc/75/39/36/502753936.db2.gz LSIIACGOCRLVBR-MOPGFXCFSA-N 2 1 355.869 3.118 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000467009227 502756575 /nfs/dbraw/zinc/75/65/75/502756575.db2.gz LUSAEOVCIQXCOT-NRFANRHFSA-N 2 1 374.573 3.245 20 0 FGADMP Cc1cc([C@@H]2CCC[NH+]2CCOCC[N@@H+]2CCC[C@H]2c2cc(C)no2)on1 ZINC000488587858 502759605 /nfs/dbraw/zinc/75/96/05/502759605.db2.gz RAQSZSXQISAQML-ROUUACIJSA-N 2 1 374.485 3.270 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000463331666 502760606 /nfs/dbraw/zinc/76/06/06/502760606.db2.gz ZUILGXTZBQIZER-QLFBSQMISA-N 2 1 367.921 3.480 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC000470463149 502785111 /nfs/dbraw/zinc/78/51/11/502785111.db2.gz GUAIVEUHJVSGGY-HXUWFJFHSA-N 2 1 360.546 3.194 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C(C)C ZINC000470463149 502785112 /nfs/dbraw/zinc/78/51/12/502785112.db2.gz GUAIVEUHJVSGGY-HXUWFJFHSA-N 2 1 360.546 3.194 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000500869281 502882120 /nfs/dbraw/zinc/88/21/20/502882120.db2.gz QRPXWOOZIKOOPB-FQEVSTJZSA-N 2 1 360.546 3.072 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000500869281 502882121 /nfs/dbraw/zinc/88/21/21/502882121.db2.gz QRPXWOOZIKOOPB-FQEVSTJZSA-N 2 1 360.546 3.072 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000500869281 502882125 /nfs/dbraw/zinc/88/21/25/502882125.db2.gz QRPXWOOZIKOOPB-FQEVSTJZSA-N 2 1 360.546 3.072 20 0 FGADMP CC[C@@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343928 502891048 /nfs/dbraw/zinc/89/10/48/502891048.db2.gz NBXXNHRFWOFVPF-FPOVZHCZSA-N 2 1 359.558 3.445 20 0 FGADMP Cn1nnc2cc(C[NH2+][C@H]3CC[N@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441780 502904475 /nfs/dbraw/zinc/90/44/75/502904475.db2.gz ZKLKXOFRDFVQHL-NRFANRHFSA-N 2 1 363.509 3.359 20 0 FGADMP Cn1nnc2cc(C[NH2+][C@H]3CC[N@@H+](Cc4ccccc4)CC3(C)C)ccc21 ZINC000509441780 502904479 /nfs/dbraw/zinc/90/44/79/502904479.db2.gz ZKLKXOFRDFVQHL-NRFANRHFSA-N 2 1 363.509 3.359 20 0 FGADMP CN(CC1CCCCC1)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501040131 502919688 /nfs/dbraw/zinc/91/96/88/502919688.db2.gz OZYMTTXHWHJKOQ-UHFFFAOYSA-N 2 1 372.557 3.269 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000505534400 502929300 /nfs/dbraw/zinc/92/93/00/502929300.db2.gz WNPIVZPOPQAKSN-HUUCEWRRSA-N 2 1 365.484 3.086 20 0 FGADMP CCCc1nc2ccccc2n1CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000505658594 502961916 /nfs/dbraw/zinc/96/19/16/502961916.db2.gz ORYFBFWYABJJDB-JOCHJYFZSA-N 2 1 368.525 3.323 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2s1 ZINC000505736595 502975669 /nfs/dbraw/zinc/97/56/69/502975669.db2.gz AAFAHQBPRJPQPC-KRWDZBQOSA-N 2 1 359.539 3.389 20 0 FGADMP CCc1sc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1C ZINC000505824849 502993589 /nfs/dbraw/zinc/99/35/89/502993589.db2.gz NBFYNEKMWRBJSW-INIZCTEOSA-N 2 1 351.560 3.107 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)c2nccn21 ZINC000582649143 506345977 /nfs/dbraw/zinc/34/59/77/506345977.db2.gz LZSJRSWUICRABX-DODZYUBVSA-N 2 1 367.497 3.193 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000489677604 503009239 /nfs/dbraw/zinc/00/92/39/503009239.db2.gz KULCBUUNPQAAII-UHFFFAOYSA-N 2 1 371.550 3.208 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NCc2cccs2)CC1 ZINC000489677604 503009244 /nfs/dbraw/zinc/00/92/44/503009244.db2.gz KULCBUUNPQAAII-UHFFFAOYSA-N 2 1 371.550 3.208 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000501490165 503019032 /nfs/dbraw/zinc/01/90/32/503019032.db2.gz IVLHAYVXFAMXNE-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000501490165 503019035 /nfs/dbraw/zinc/01/90/35/503019035.db2.gz IVLHAYVXFAMXNE-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000501490165 503019038 /nfs/dbraw/zinc/01/90/38/503019038.db2.gz IVLHAYVXFAMXNE-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000501525094 503029184 /nfs/dbraw/zinc/02/91/84/503029184.db2.gz ZIQWEZPMWGYLGU-IRXDYDNUSA-N 2 1 362.518 3.011 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000506056153 503037663 /nfs/dbraw/zinc/03/76/63/503037663.db2.gz RQAKALDVHWYPSE-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000506056153 503037664 /nfs/dbraw/zinc/03/76/64/503037664.db2.gz RQAKALDVHWYPSE-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000506056153 503037666 /nfs/dbraw/zinc/03/76/66/503037666.db2.gz RQAKALDVHWYPSE-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489803260 503038756 /nfs/dbraw/zinc/03/87/56/503038756.db2.gz UHXCMNLQKZAZME-MRXNPFEDSA-N 2 1 358.313 3.155 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000489803260 503038760 /nfs/dbraw/zinc/03/87/60/503038760.db2.gz UHXCMNLQKZAZME-MRXNPFEDSA-N 2 1 358.313 3.155 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000489803258 503038840 /nfs/dbraw/zinc/03/88/40/503038840.db2.gz UHXCMNLQKZAZME-INIZCTEOSA-N 2 1 358.313 3.155 20 0 FGADMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000489803258 503038844 /nfs/dbraw/zinc/03/88/44/503038844.db2.gz UHXCMNLQKZAZME-INIZCTEOSA-N 2 1 358.313 3.155 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489830955 503044023 /nfs/dbraw/zinc/04/40/23/503044023.db2.gz ZWQBXGKPWRMCHM-UHFFFAOYSA-N 2 1 353.894 3.128 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489830955 503044028 /nfs/dbraw/zinc/04/40/28/503044028.db2.gz ZWQBXGKPWRMCHM-UHFFFAOYSA-N 2 1 353.894 3.128 20 0 FGADMP CCC1(CNC(=O)NCC[N@@H+](C)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000514021625 503070573 /nfs/dbraw/zinc/07/05/73/503070573.db2.gz BRRYAKTVLSRGIV-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260148 503080292 /nfs/dbraw/zinc/08/02/92/503080292.db2.gz RRMPVNCOSCPJDJ-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260148 503080298 /nfs/dbraw/zinc/08/02/98/503080298.db2.gz RRMPVNCOSCPJDJ-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260148 503080301 /nfs/dbraw/zinc/08/03/01/503080301.db2.gz RRMPVNCOSCPJDJ-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267037 503082023 /nfs/dbraw/zinc/08/20/23/503082023.db2.gz GPCUUEKVBVQQNS-UNMCSNQZSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506267037 503082025 /nfs/dbraw/zinc/08/20/25/503082025.db2.gz GPCUUEKVBVQQNS-UNMCSNQZSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506267037 503082028 /nfs/dbraw/zinc/08/20/28/503082028.db2.gz GPCUUEKVBVQQNS-UNMCSNQZSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514122701 503093816 /nfs/dbraw/zinc/09/38/16/503093816.db2.gz NANVGXGAGAEWGS-RTBURBONSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000514122701 503093820 /nfs/dbraw/zinc/09/38/20/503093820.db2.gz NANVGXGAGAEWGS-RTBURBONSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)C1 ZINC000514122701 503093821 /nfs/dbraw/zinc/09/38/21/503093821.db2.gz NANVGXGAGAEWGS-RTBURBONSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344547 503096024 /nfs/dbraw/zinc/09/60/24/503096024.db2.gz COARARJJRFQMCC-AZUAARDMSA-N 2 1 370.541 3.092 20 0 FGADMP CC(C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000514154720 503102044 /nfs/dbraw/zinc/10/20/44/503102044.db2.gz XIIQISIYCADUJT-GOSISDBHSA-N 2 1 371.447 3.156 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000498155390 503119584 /nfs/dbraw/zinc/11/95/84/503119584.db2.gz JHDYLEMHSPKNRW-HKUYNNGSSA-N 2 1 369.513 3.001 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000514244958 503124213 /nfs/dbraw/zinc/12/42/13/503124213.db2.gz PPMBDXQPGYZPEK-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000514244958 503124217 /nfs/dbraw/zinc/12/42/17/503124217.db2.gz PPMBDXQPGYZPEK-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000514244958 503124221 /nfs/dbraw/zinc/12/42/21/503124221.db2.gz PPMBDXQPGYZPEK-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC[C@@H]1C ZINC000510510701 503129600 /nfs/dbraw/zinc/12/96/00/503129600.db2.gz IUIPOWAHUTVCMX-CADBVGFASA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000510510701 503129603 /nfs/dbraw/zinc/12/96/03/503129603.db2.gz IUIPOWAHUTVCMX-CADBVGFASA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCCC[C@@H]1C ZINC000510510701 503129606 /nfs/dbraw/zinc/12/96/06/503129606.db2.gz IUIPOWAHUTVCMX-CADBVGFASA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000498214141 503133032 /nfs/dbraw/zinc/13/30/32/503133032.db2.gz NVEUBMMRAFAONU-QFUCXCTJSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1=CC[N@@H+](C)CC1 ZINC000510554390 503143672 /nfs/dbraw/zinc/14/36/72/503143672.db2.gz SPXNKACAEOHAMG-GOSISDBHSA-N 2 1 362.562 3.125 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000514667756 503162375 /nfs/dbraw/zinc/16/23/75/503162375.db2.gz IENNSSIDFPWLTC-UHFFFAOYSA-N 2 1 365.521 3.438 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000506812339 503177075 /nfs/dbraw/zinc/17/70/75/503177075.db2.gz CIAXKBRZQFXYSV-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000506812339 503177080 /nfs/dbraw/zinc/17/70/80/503177080.db2.gz CIAXKBRZQFXYSV-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506812339 503177083 /nfs/dbraw/zinc/17/70/83/503177083.db2.gz CIAXKBRZQFXYSV-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2cc3ccccc3o2)C(C)(C)C)CC1 ZINC000498434659 503184925 /nfs/dbraw/zinc/18/49/25/503184925.db2.gz KAXOWSFFQWQODD-FQEVSTJZSA-N 2 1 357.498 3.274 20 0 FGADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000510778978 503191233 /nfs/dbraw/zinc/19/12/33/503191233.db2.gz BOTQZJJZZVZWFW-KURKYZTESA-N 2 1 357.542 3.201 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C(C)C ZINC000506905186 503192167 /nfs/dbraw/zinc/19/21/67/503192167.db2.gz ZEGCPMBEAPWEQL-PMACEKPBSA-N 2 1 366.594 3.401 20 0 FGADMP CNC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000514937292 503231899 /nfs/dbraw/zinc/23/18/99/503231899.db2.gz IRDLABNUGJYJDE-SOAGJPPSSA-N 2 1 355.526 3.078 20 0 FGADMP CNC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000514937292 503231903 /nfs/dbraw/zinc/23/19/03/503231903.db2.gz IRDLABNUGJYJDE-SOAGJPPSSA-N 2 1 355.526 3.078 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000490828290 503233384 /nfs/dbraw/zinc/23/33/84/503233384.db2.gz PZDWTLHASOBIMB-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000490828290 503233386 /nfs/dbraw/zinc/23/33/86/503233386.db2.gz PZDWTLHASOBIMB-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000490828290 503233388 /nfs/dbraw/zinc/23/33/88/503233388.db2.gz PZDWTLHASOBIMB-LJQANCHMSA-N 2 1 374.573 3.450 20 0 FGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490971304 503254198 /nfs/dbraw/zinc/25/41/98/503254198.db2.gz WBCPGKMGLQQUGG-TZIWHRDSSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000490971304 503254201 /nfs/dbraw/zinc/25/42/01/503254201.db2.gz WBCPGKMGLQQUGG-TZIWHRDSSA-N 2 1 359.558 3.179 20 0 FGADMP Cc1ccc(COc2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000491137088 503278002 /nfs/dbraw/zinc/27/80/02/503278002.db2.gz PQPNVZFHUSHJOI-QFIPXVFZSA-N 2 1 365.521 3.054 20 0 FGADMP COc1cccc(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000507456837 503301918 /nfs/dbraw/zinc/30/19/18/503301918.db2.gz ACZNDDMXBRJIBH-HLAWJBBLSA-N 2 1 351.494 3.133 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)CC[C@H]3C)cc2)CC1 ZINC000502914006 503306524 /nfs/dbraw/zinc/30/65/24/503306524.db2.gz YIBAWRZTAZMLHQ-LJQANCHMSA-N 2 1 372.557 3.154 20 0 FGADMP OC[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000507488878 503307506 /nfs/dbraw/zinc/30/75/06/503307506.db2.gz VUAUJSGNJPVMKS-NMIHRBCNSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000507488878 503307508 /nfs/dbraw/zinc/30/75/08/503307508.db2.gz VUAUJSGNJPVMKS-NMIHRBCNSA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000507488878 503307509 /nfs/dbraw/zinc/30/75/09/503307509.db2.gz VUAUJSGNJPVMKS-NMIHRBCNSA-N 2 1 354.469 3.359 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C[C@@H]1C ZINC000499028501 503317352 /nfs/dbraw/zinc/31/73/52/503317352.db2.gz OBLDBZCUKBYLAN-VCAKUFKGSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000515347923 503320659 /nfs/dbraw/zinc/32/06/59/503320659.db2.gz QRAQGTWCRBSTPM-PXNSSMCTSA-N 2 1 374.550 3.441 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000503033009 503330473 /nfs/dbraw/zinc/33/04/73/503330473.db2.gz NDNYEAXTGPAVCN-IEBWSBKVSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)CC2(C)C)CC[N@H+]1C ZINC000511502779 503333529 /nfs/dbraw/zinc/33/35/29/503333529.db2.gz FOURYZXGBMBPCY-MISYRCLQSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502779 503333531 /nfs/dbraw/zinc/33/35/31/503333531.db2.gz FOURYZXGBMBPCY-MISYRCLQSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC[NH+]1C ZINC000511502779 503333533 /nfs/dbraw/zinc/33/35/33/503333533.db2.gz FOURYZXGBMBPCY-MISYRCLQSA-N 2 1 372.557 3.069 20 0 FGADMP O=C(NC[C@H](c1ccco1)N1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511651710 503362856 /nfs/dbraw/zinc/36/28/56/503362856.db2.gz ZQNWPXAOGTWWTP-VQTJNVASSA-N 2 1 367.493 3.197 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000503390459 503399344 /nfs/dbraw/zinc/39/93/44/503399344.db2.gz LTOJHBJAWWLAGC-XYJFISCASA-N 2 1 364.534 3.128 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000511855842 503401483 /nfs/dbraw/zinc/40/14/83/503401483.db2.gz RCYNHHYOIGWRFM-VSKRKVRLSA-N 2 1 369.553 3.244 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000511903449 503411528 /nfs/dbraw/zinc/41/15/28/503411528.db2.gz AVAVAAOYCYRLMT-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP CC[C@@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000508037767 503417353 /nfs/dbraw/zinc/41/73/53/503417353.db2.gz KVLSWSNMBPHTQN-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000508037767 503417357 /nfs/dbraw/zinc/41/73/57/503417357.db2.gz KVLSWSNMBPHTQN-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CC[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000508037767 503417360 /nfs/dbraw/zinc/41/73/60/503417360.db2.gz KVLSWSNMBPHTQN-NRFANRHFSA-N 2 1 357.542 3.231 20 0 FGADMP CCc1ccc(CCC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cc1 ZINC000499508009 503421305 /nfs/dbraw/zinc/42/13/05/503421305.db2.gz LOMVCPHXVHBZPM-NRFANRHFSA-N 2 1 359.558 3.056 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Cl ZINC000499510506 503421840 /nfs/dbraw/zinc/42/18/40/503421840.db2.gz WDROPARWMIUWCD-OAHLLOKOSA-N 2 1 372.340 3.482 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000516165051 503459656 /nfs/dbraw/zinc/45/96/56/503459656.db2.gz SZFWDQPLZDDHOY-GHTZIAJQSA-N 2 1 372.557 3.434 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940653 503462111 /nfs/dbraw/zinc/46/21/11/503462111.db2.gz JOWNEJGUQMQDTD-CMKODMSKSA-N 2 1 360.546 3.097 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2conc2Cc2ccccc2)CC1 ZINC000508323423 503474996 /nfs/dbraw/zinc/47/49/96/503474996.db2.gz CWWJWIKVHAIFBG-UHFFFAOYSA-N 2 1 350.466 3.454 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000494079377 503483808 /nfs/dbraw/zinc/48/38/08/503483808.db2.gz NPBPQKZLJZVOMN-CBQOVEMMSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000499797366 503484965 /nfs/dbraw/zinc/48/49/65/503484965.db2.gz OEBPTBHJGXHKHK-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319958 503524805 /nfs/dbraw/zinc/52/48/05/503524805.db2.gz RHMADVXKOJFCGV-GBESFXJTSA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319958 503524807 /nfs/dbraw/zinc/52/48/07/503524807.db2.gz RHMADVXKOJFCGV-GBESFXJTSA-N 2 1 367.484 3.191 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)NCCC[N@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000516560945 503537004 /nfs/dbraw/zinc/53/70/04/503537004.db2.gz XDAAPYOWTUDXJM-GGPKGHCWSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000516612056 503549252 /nfs/dbraw/zinc/54/92/52/503549252.db2.gz RLKJJYRNIIXCTM-XBYSBRQOSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000516612056 503549255 /nfs/dbraw/zinc/54/92/55/503549255.db2.gz RLKJJYRNIIXCTM-XBYSBRQOSA-N 2 1 371.569 3.273 20 0 FGADMP Fc1ccccc1CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000512457797 503558368 /nfs/dbraw/zinc/55/83/68/503558368.db2.gz VYTKWRNIEXTOON-QFIPXVFZSA-N 2 1 367.512 3.260 20 0 FGADMP Fc1ccccc1CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512457797 503558372 /nfs/dbraw/zinc/55/83/72/503558372.db2.gz VYTKWRNIEXTOON-QFIPXVFZSA-N 2 1 367.512 3.260 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000500134112 503561943 /nfs/dbraw/zinc/56/19/43/503561943.db2.gz RECUHPKXAOAEPT-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000500182979 503573399 /nfs/dbraw/zinc/57/33/99/503573399.db2.gz MIIOKXNGMYIKIJ-SBHAEUEKSA-N 2 1 374.573 3.345 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000504434303 503574392 /nfs/dbraw/zinc/57/43/92/503574392.db2.gz MRSUFSBLEHNLBO-LJQANCHMSA-N 2 1 362.562 3.267 20 0 FGADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494615893 503575218 /nfs/dbraw/zinc/57/52/18/503575218.db2.gz PLNUPKXZDGJWMB-AWEZNQCLSA-N 2 1 354.420 3.380 20 0 FGADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000508854048 503577864 /nfs/dbraw/zinc/57/78/64/503577864.db2.gz SCDYSAPDKYMMSG-UYAOXDASSA-N 2 1 360.546 3.112 20 0 FGADMP C[C@H](NC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000508852706 503578467 /nfs/dbraw/zinc/57/84/67/503578467.db2.gz NDJWLKYKWXFTFO-FBBABVLZSA-N 2 1 372.557 3.051 20 0 FGADMP C(=C\C[N@@H+]1CCC[C@H](OCC2CC2)C1)\C[NH+]1CCC[C@@H](OCC2CC2)C1 ZINC000494657467 503585880 /nfs/dbraw/zinc/58/58/80/503585880.db2.gz UATGBYLCOYIEOS-LJLUTMTPSA-N 2 1 362.558 3.325 20 0 FGADMP C(=C\C[N@@H+]1CCC[C@@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657467 503585884 /nfs/dbraw/zinc/58/58/84/503585884.db2.gz UATGBYLCOYIEOS-LJLUTMTPSA-N 2 1 362.558 3.325 20 0 FGADMP C(=C\C[N@H+]1CCC[C@@H](OCC2CC2)C1)\C[NH+]1CCC[C@H](OCC2CC2)C1 ZINC000494657467 503585888 /nfs/dbraw/zinc/58/58/88/503585888.db2.gz UATGBYLCOYIEOS-LJLUTMTPSA-N 2 1 362.558 3.325 20 0 FGADMP CC(C)(C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512610834 503594280 /nfs/dbraw/zinc/59/42/80/503594280.db2.gz FJIKJRSQZXWOTG-SLFFLAALSA-N 2 1 357.542 3.182 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)[C@H](C)C1 ZINC000508917605 503599753 /nfs/dbraw/zinc/59/97/53/503599753.db2.gz IBRNPKMCUWFOED-RMVXJAJNSA-N 2 1 374.573 3.358 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)[NH+](C)C ZINC000508923801 503601188 /nfs/dbraw/zinc/60/11/88/503601188.db2.gz OLEOIPZWUMHFKC-MMKMLUHNSA-N 2 1 372.557 3.112 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000494745248 503603375 /nfs/dbraw/zinc/60/33/75/503603375.db2.gz KQLGBZXHYUURLB-VXKWHMMOSA-N 2 1 366.505 3.127 20 0 FGADMP c1ccc(N2CCN(CCC[N@@H+](Cc3ccccn3)C3CC3)CC2)cc1 ZINC000509007481 503617475 /nfs/dbraw/zinc/61/74/75/503617475.db2.gz RVOKXFSOKNUVCM-UHFFFAOYSA-N 2 1 350.510 3.258 20 0 FGADMP c1ccc(N2CC[NH+](CCCN(Cc3ccccn3)C3CC3)CC2)cc1 ZINC000509007481 503617477 /nfs/dbraw/zinc/61/74/77/503617477.db2.gz RVOKXFSOKNUVCM-UHFFFAOYSA-N 2 1 350.510 3.258 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc2c(c1)CCCC2 ZINC000516927835 503621840 /nfs/dbraw/zinc/62/18/40/503621840.db2.gz HSNJMWSQDPSYMJ-MTNREXPMSA-N 2 1 369.553 3.064 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000494894634 503632438 /nfs/dbraw/zinc/63/24/38/503632438.db2.gz BENRNTWGPTYSAQ-FGZHOGPDSA-N 2 1 363.505 3.143 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000532950091 503671910 /nfs/dbraw/zinc/67/19/10/503671910.db2.gz YVTYWULWINYRTO-HXUWFJFHSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000532950091 503671914 /nfs/dbraw/zinc/67/19/14/503671914.db2.gz YVTYWULWINYRTO-HXUWFJFHSA-N 2 1 361.505 3.198 20 0 FGADMP CCCOc1cccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000536708831 503691391 /nfs/dbraw/zinc/69/13/91/503691391.db2.gz WFXKGNVUMQIKHK-UHFFFAOYSA-N 2 1 359.558 3.466 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4[nH]cnc4c3)CC2)C[C@H](C)O1 ZINC000536710321 503691958 /nfs/dbraw/zinc/69/19/58/503691958.db2.gz QOWBLMZKAAUMTL-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000536710321 503691964 /nfs/dbraw/zinc/69/19/64/503691964.db2.gz QOWBLMZKAAUMTL-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4nc[nH]c4c3)CC2)C[C@H](C)O1 ZINC000536710321 503691970 /nfs/dbraw/zinc/69/19/70/503691970.db2.gz QOWBLMZKAAUMTL-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000540158774 503692984 /nfs/dbraw/zinc/69/29/84/503692984.db2.gz YESUSBVIYBIQKW-MPGHIAIKSA-N 2 1 358.448 3.176 20 0 FGADMP Cc1cc(C(=O)C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)n1C ZINC000536724384 503698158 /nfs/dbraw/zinc/69/81/58/503698158.db2.gz IZESCJYJVTUOAV-UHFFFAOYSA-N 2 1 368.525 3.458 20 0 FGADMP Cc1cc(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)n1C ZINC000536724384 503698161 /nfs/dbraw/zinc/69/81/61/503698161.db2.gz IZESCJYJVTUOAV-UHFFFAOYSA-N 2 1 368.525 3.458 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731993 503701460 /nfs/dbraw/zinc/70/14/60/503701460.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731993 503701467 /nfs/dbraw/zinc/70/14/67/503701467.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731993 503701474 /nfs/dbraw/zinc/70/14/74/503701474.db2.gz WDTWFTBPGNNCNY-CTNGQTDRSA-N 2 1 358.526 3.408 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000536736143 503703958 /nfs/dbraw/zinc/70/39/58/503703958.db2.gz ADIGWVATXUKVPD-FQEVSTJZSA-N 2 1 361.505 3.186 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C(N)=O)c2ccc(F)cc2)CC1)CC1CC1 ZINC000536736143 503703959 /nfs/dbraw/zinc/70/39/59/503703959.db2.gz ADIGWVATXUKVPD-FQEVSTJZSA-N 2 1 361.505 3.186 20 0 FGADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742782 503707665 /nfs/dbraw/zinc/70/76/65/503707665.db2.gz ZOBNGNJRFSSLLX-QFBILLFUSA-N 2 1 361.555 3.437 20 0 FGADMP Cc1sc2nc(C[NH+]3CCC(C[N@@H+](C)C(C)C)CC3)nc(N)c2c1C ZINC000536755003 503712909 /nfs/dbraw/zinc/71/29/09/503712909.db2.gz FSQMJXUMLSPURP-UHFFFAOYSA-N 2 1 361.559 3.443 20 0 FGADMP Cc1sc2nc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)nc(N)c2c1C ZINC000536755003 503712916 /nfs/dbraw/zinc/71/29/16/503712916.db2.gz FSQMJXUMLSPURP-UHFFFAOYSA-N 2 1 361.559 3.443 20 0 FGADMP COc1cccc2c1CC[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000495257869 503714176 /nfs/dbraw/zinc/71/41/76/503714176.db2.gz YDSJUKFXGGJWPO-NRFANRHFSA-N 2 1 366.505 3.175 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C1 ZINC000527199056 503715778 /nfs/dbraw/zinc/71/57/78/503715778.db2.gz PAYDYOKMJLKPCN-MQSCRBSSSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C1 ZINC000527199056 503715782 /nfs/dbraw/zinc/71/57/82/503715782.db2.gz PAYDYOKMJLKPCN-MQSCRBSSSA-N 2 1 369.553 3.135 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C1 ZINC000527199056 503715789 /nfs/dbraw/zinc/71/57/89/503715789.db2.gz PAYDYOKMJLKPCN-MQSCRBSSSA-N 2 1 369.553 3.135 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000536842793 503737905 /nfs/dbraw/zinc/73/79/05/503737905.db2.gz BEUSPFCMPGYHGK-DZFGPLHGSA-N 2 1 373.541 3.211 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1)CC(C)C ZINC000536884289 503748868 /nfs/dbraw/zinc/74/88/68/503748868.db2.gz DDXJXYJLSYECLJ-UHFFFAOYSA-N 2 1 365.484 3.087 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)CC(F)(F)F)CC1)CC(C)C ZINC000536884289 503748870 /nfs/dbraw/zinc/74/88/70/503748870.db2.gz DDXJXYJLSYECLJ-UHFFFAOYSA-N 2 1 365.484 3.087 20 0 FGADMP C[C@H]1C[C@H](NC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000533181663 503753318 /nfs/dbraw/zinc/75/33/18/503753318.db2.gz NYCTUJOCKVUJCC-PKOBYXMFSA-N 2 1 374.529 3.156 20 0 FGADMP C[C@H]1CN(Cc2cccc(C[NH2+]Cc3ccc4nc[nH]c4c3)c2)CCO1 ZINC000517549392 503768275 /nfs/dbraw/zinc/76/82/75/503768275.db2.gz NZAAPANOMHAYIE-INIZCTEOSA-N 2 1 350.466 3.073 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000517589954 503780144 /nfs/dbraw/zinc/78/01/44/503780144.db2.gz XESIMMARDGEAOW-NVXWUHKLSA-N 2 1 366.575 3.161 20 0 FGADMP CC1CC[NH+](CCN[C@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000540474982 503782420 /nfs/dbraw/zinc/78/24/20/503782420.db2.gz IWLSJTYZGGLLEQ-FQEVSTJZSA-N 2 1 357.542 3.296 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173999 503827259 /nfs/dbraw/zinc/82/72/59/503827259.db2.gz SGRTZWWXKDMPRG-UYAOXDASSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@@H]1CCCCN1CC[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537173999 503827262 /nfs/dbraw/zinc/82/72/62/503827262.db2.gz SGRTZWWXKDMPRG-UYAOXDASSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@H]([NH3+])c1ccc(-c2ccc([C@H](C)N3CC[NH+](CCO)CC3)cc2)cc1F ZINC000527589522 503844534 /nfs/dbraw/zinc/84/45/34/503844534.db2.gz SVZRBZJERVQJRR-IRXDYDNUSA-N 2 1 371.500 3.183 20 0 FGADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)CO[C@H]1CCCc2ccccc21 ZINC000517924984 503867932 /nfs/dbraw/zinc/86/79/32/503867932.db2.gz CPDQGTFSJWLAAZ-PELUFGRGSA-N 2 1 358.526 3.048 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000546788268 503878420 /nfs/dbraw/zinc/87/84/20/503878420.db2.gz HYALEIKCAGKJKT-QGZVFWFLSA-N 2 1 366.509 3.452 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530220471 503882298 /nfs/dbraw/zinc/88/22/98/503882298.db2.gz OGJMEWFVSCBMRR-SWLSCSKDSA-N 2 1 366.303 3.040 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530239690 503889487 /nfs/dbraw/zinc/88/94/87/503889487.db2.gz HCLYUMCLRALSKT-CYBMUJFWSA-N 2 1 363.449 3.061 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)c2c[nH+]ccc2N(C)C)C[N@H+]1Cc1ccccc1 ZINC000546855938 503903349 /nfs/dbraw/zinc/90/33/49/503903349.db2.gz NIOCGAFGXSZTPK-IEBWSBKVSA-N 2 1 366.509 3.178 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2OC(F)F)CC1 ZINC000537414816 503908649 /nfs/dbraw/zinc/90/86/49/503908649.db2.gz USWAORJCLMXPHF-UHFFFAOYSA-N 2 1 361.230 3.402 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)c3ccccc3CC[NH3+])c2)C[C@@H](C)O1 ZINC000518208210 503927900 /nfs/dbraw/zinc/92/79/00/503927900.db2.gz UNIJGQGTJYKGIP-IAGOWNOFSA-N 2 1 367.493 3.049 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc3cc[nH]c32)c2cccs2)CC1 ZINC000518247845 503935809 /nfs/dbraw/zinc/93/58/09/503935809.db2.gz IHFMRFUDUTWTON-GOSISDBHSA-N 2 1 354.523 3.308 20 0 FGADMP COc1cc(C)c(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c(C)n1 ZINC000540999322 503970152 /nfs/dbraw/zinc/97/01/52/503970152.db2.gz KVIDBWGACZKLEH-CALCHBBNSA-N 2 1 361.530 3.028 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000518402359 503974842 /nfs/dbraw/zinc/97/48/42/503974842.db2.gz XNEFNOJZCDVCGM-SFHLNBCPSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000518402359 503974846 /nfs/dbraw/zinc/97/48/46/503974846.db2.gz XNEFNOJZCDVCGM-SFHLNBCPSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000518402359 503974850 /nfs/dbraw/zinc/97/48/50/503974850.db2.gz XNEFNOJZCDVCGM-SFHLNBCPSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000518457906 503991739 /nfs/dbraw/zinc/99/17/39/503991739.db2.gz WCNHAUQHGJYCSG-CEXWTWQISA-N 2 1 373.541 3.039 20 0 FGADMP C[C@@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947202 504010145 /nfs/dbraw/zinc/01/01/45/504010145.db2.gz KDZFNZRKTTVKEH-UZLBHIALSA-N 2 1 356.514 3.274 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000518618590 504028925 /nfs/dbraw/zinc/02/89/25/504028925.db2.gz VNQSFQHIMVTNFO-NRFANRHFSA-N 2 1 355.526 3.371 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000528152410 504095417 /nfs/dbraw/zinc/09/54/17/504095417.db2.gz ZVNHCEQPEONVOK-ZWKOTPCHSA-N 2 1 368.456 3.105 20 0 FGADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccc2c(c1)OCO2 ZINC000544347927 504097139 /nfs/dbraw/zinc/09/71/39/504097139.db2.gz BZYSRKFUMCPRJK-UHFFFAOYSA-N 2 1 350.422 3.327 20 0 FGADMP COc1cc([C@@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1F ZINC000534329270 504112455 /nfs/dbraw/zinc/11/24/55/504112455.db2.gz VTUUKIPUPBXQMM-UTKZUKDTSA-N 2 1 371.500 3.474 20 0 FGADMP CN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000519035402 504124207 /nfs/dbraw/zinc/12/42/07/504124207.db2.gz UDYIVHYWWYOYMY-JOCHJYFZSA-N 2 1 372.557 3.168 20 0 FGADMP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4ccccc4)C3)C2)CC1 ZINC000534411766 504134342 /nfs/dbraw/zinc/13/43/42/504134342.db2.gz QGGNJDPWYPODMW-FCHUYYIVSA-N 2 1 369.553 3.089 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000541535945 504167828 /nfs/dbraw/zinc/16/78/28/504167828.db2.gz YOGYWEQLKHGWHQ-OLKYXYMISA-N 2 1 364.533 3.480 20 0 FGADMP CO[C@H](C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)c1ccc(F)cc1 ZINC000528368070 504189808 /nfs/dbraw/zinc/18/98/08/504189808.db2.gz KNPXYJUPYXFDKY-LLGFUMIMSA-N 2 1 364.505 3.334 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H](Cc2ccccc2)C(N)=O)cc1 ZINC000544640878 504201758 /nfs/dbraw/zinc/20/17/58/504201758.db2.gz LYFSGLWLHRVOEW-PGRDOPGGSA-N 2 1 365.521 3.247 20 0 FGADMP CC(C)(C)[C@H]1CC[N@@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@@H]1O ZINC000541618161 504202326 /nfs/dbraw/zinc/20/23/26/504202326.db2.gz LBLAHZOBHIZDRE-YRPNKDGESA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@@H]1O ZINC000541618161 504202331 /nfs/dbraw/zinc/20/23/31/504202331.db2.gz LBLAHZOBHIZDRE-YRPNKDGESA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)C[C@@H]1O ZINC000541618161 504202337 /nfs/dbraw/zinc/20/23/37/504202337.db2.gz LBLAHZOBHIZDRE-YRPNKDGESA-N 2 1 368.606 3.224 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737332 504205449 /nfs/dbraw/zinc/20/54/49/504205449.db2.gz KVWXMXHCQHWVRT-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737332 504205454 /nfs/dbraw/zinc/20/54/54/504205454.db2.gz KVWXMXHCQHWVRT-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737332 504205459 /nfs/dbraw/zinc/20/54/59/504205459.db2.gz KVWXMXHCQHWVRT-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C(C)C)C3)CC2)cc1 ZINC000538353255 504217922 /nfs/dbraw/zinc/21/79/22/504217922.db2.gz GGJNEKJGNUQQEZ-OAQYLSRUSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C(C)C)C3)CC2)cc1 ZINC000538353255 504217926 /nfs/dbraw/zinc/21/79/26/504217926.db2.gz GGJNEKJGNUQQEZ-OAQYLSRUSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](C(C)C)C3)CC2)cc1 ZINC000538353255 504217932 /nfs/dbraw/zinc/21/79/32/504217932.db2.gz GGJNEKJGNUQQEZ-OAQYLSRUSA-N 2 1 357.542 3.007 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528425537 504218205 /nfs/dbraw/zinc/21/82/05/504218205.db2.gz WQPWTXVRWFFUJM-LJQANCHMSA-N 2 1 363.933 3.105 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528425537 504218207 /nfs/dbraw/zinc/21/82/07/504218207.db2.gz WQPWTXVRWFFUJM-LJQANCHMSA-N 2 1 363.933 3.105 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@@H+]1Cc1ccccc1 ZINC000541737994 504237573 /nfs/dbraw/zinc/23/75/73/504237573.db2.gz FIRKASSYJOIVHJ-LAUBAEHRSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@H+]1Cc1ccccc1 ZINC000541737994 504237578 /nfs/dbraw/zinc/23/75/78/504237578.db2.gz FIRKASSYJOIVHJ-LAUBAEHRSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@@H+]1Cc1ccccc1 ZINC000541737995 504237842 /nfs/dbraw/zinc/23/78/42/504237842.db2.gz FIRKASSYJOIVHJ-UTKZUKDTSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)C(=O)NCC3)CC[N@H+]1Cc1ccccc1 ZINC000541737995 504237849 /nfs/dbraw/zinc/23/78/49/504237849.db2.gz FIRKASSYJOIVHJ-UTKZUKDTSA-N 2 1 363.505 3.115 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827807 504238916 /nfs/dbraw/zinc/23/89/16/504238916.db2.gz AQWDUFKQCMZLEG-VJBMBRPKSA-N 2 1 352.522 3.338 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)s2)C1 ZINC000531343403 504274072 /nfs/dbraw/zinc/27/40/72/504274072.db2.gz JFJMXHGBTHVFJC-ZDUSSCGKSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000531343403 504274075 /nfs/dbraw/zinc/27/40/75/504274075.db2.gz JFJMXHGBTHVFJC-ZDUSSCGKSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2Br)C1 ZINC000531343419 504274251 /nfs/dbraw/zinc/27/42/51/504274251.db2.gz MTXQTORMFBQUMU-INIZCTEOSA-N 2 1 355.320 3.382 20 0 FGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000531369634 504281957 /nfs/dbraw/zinc/28/19/57/504281957.db2.gz LEOUKTFLFOUECY-OAHLLOKOSA-N 2 1 364.449 3.322 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379066 504285796 /nfs/dbraw/zinc/28/57/96/504285796.db2.gz VFCYVKALKVGNOG-PVAVHDDUSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379066 504285797 /nfs/dbraw/zinc/28/57/97/504285797.db2.gz VFCYVKALKVGNOG-PVAVHDDUSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000531379066 504285798 /nfs/dbraw/zinc/28/57/98/504285798.db2.gz VFCYVKALKVGNOG-PVAVHDDUSA-N 2 1 374.447 3.250 20 0 FGADMP Cc1cc(Cl)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000541899129 504296385 /nfs/dbraw/zinc/29/63/85/504296385.db2.gz HRMALVYIPWLMLS-UHFFFAOYSA-N 2 1 358.873 3.356 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)cc(OC)nc2C)CC1 ZINC000541925849 504305117 /nfs/dbraw/zinc/30/51/17/504305117.db2.gz HMQAOWFNPOVBKS-UHFFFAOYSA-N 2 1 363.546 3.277 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650618 504314440 /nfs/dbraw/zinc/31/44/40/504314440.db2.gz PEUUPIWZFXDISN-AYOQOUSVSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650618 504314443 /nfs/dbraw/zinc/31/44/43/504314443.db2.gz PEUUPIWZFXDISN-AYOQOUSVSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650618 504314445 /nfs/dbraw/zinc/31/44/45/504314445.db2.gz PEUUPIWZFXDISN-AYOQOUSVSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000528650618 504314450 /nfs/dbraw/zinc/31/44/50/504314450.db2.gz PEUUPIWZFXDISN-AYOQOUSVSA-N 2 1 363.933 3.246 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000542007042 504332825 /nfs/dbraw/zinc/33/28/25/504332825.db2.gz LFWYLWIPQYRQSG-AWEZNQCLSA-N 2 1 353.869 3.047 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528715026 504345948 /nfs/dbraw/zinc/34/59/48/504345948.db2.gz LCWYXEDUQZWAFC-YUMYIRISSA-N 2 1 369.553 3.230 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528715026 504345952 /nfs/dbraw/zinc/34/59/52/504345952.db2.gz LCWYXEDUQZWAFC-YUMYIRISSA-N 2 1 369.553 3.230 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528715026 504345958 /nfs/dbraw/zinc/34/59/58/504345958.db2.gz LCWYXEDUQZWAFC-YUMYIRISSA-N 2 1 369.553 3.230 20 0 FGADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528740618 504360025 /nfs/dbraw/zinc/36/00/25/504360025.db2.gz BYSQSCUTEOFSLW-FQEVSTJZSA-N 2 1 373.516 3.137 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000531643832 504375593 /nfs/dbraw/zinc/37/55/93/504375593.db2.gz CVIJPVSALKEROA-UHFFFAOYSA-N 2 1 357.951 3.070 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000531643832 504375597 /nfs/dbraw/zinc/37/55/97/504375597.db2.gz CVIJPVSALKEROA-UHFFFAOYSA-N 2 1 357.951 3.070 20 0 FGADMP Cc1nc(C)c([C@@H](C)[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)s1 ZINC000531709564 504399616 /nfs/dbraw/zinc/39/96/16/504399616.db2.gz REFDYHODSSQNEU-VQIMIIECSA-N 2 1 358.555 3.399 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712799 504400416 /nfs/dbraw/zinc/40/04/16/504400416.db2.gz UICWRKJDRBXOOW-JCKWVBRZSA-N 2 1 371.447 3.203 20 0 FGADMP CNC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000531712799 504400421 /nfs/dbraw/zinc/40/04/21/504400421.db2.gz UICWRKJDRBXOOW-JCKWVBRZSA-N 2 1 371.447 3.203 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531725049 504405526 /nfs/dbraw/zinc/40/55/26/504405526.db2.gz GWSGCHGSHNBEDG-RDBSUJKOSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531725049 504405527 /nfs/dbraw/zinc/40/55/27/504405527.db2.gz GWSGCHGSHNBEDG-RDBSUJKOSA-N 2 1 357.420 3.495 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000545246264 504414102 /nfs/dbraw/zinc/41/41/02/504414102.db2.gz JCKUMTBZDRIYCI-ZWKOTPCHSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185717 504430038 /nfs/dbraw/zinc/43/00/38/504430038.db2.gz WEASFEAPMBWHLV-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520185717 504430043 /nfs/dbraw/zinc/43/00/43/504430043.db2.gz WEASFEAPMBWHLV-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520185717 504430049 /nfs/dbraw/zinc/43/00/49/504430049.db2.gz WEASFEAPMBWHLV-SFHLNBCPSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000520219444 504438023 /nfs/dbraw/zinc/43/80/23/504438023.db2.gz DQVIXQXQIXIQMP-INIZCTEOSA-N 2 1 355.404 3.184 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405811 504490772 /nfs/dbraw/zinc/49/07/72/504490772.db2.gz YHRNXXMZAXTCLL-HKBOAZHASA-N 2 1 369.553 3.420 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000520405811 504490778 /nfs/dbraw/zinc/49/07/78/504490778.db2.gz YHRNXXMZAXTCLL-HKBOAZHASA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000531976431 504493278 /nfs/dbraw/zinc/49/32/78/504493278.db2.gz AVMKUXQSWGVPTI-XMSQKQJNSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2(O)Cc3ccccc3C2)CC[N@H+]1Cc1ccccc1 ZINC000531976431 504493282 /nfs/dbraw/zinc/49/32/82/504493282.db2.gz AVMKUXQSWGVPTI-XMSQKQJNSA-N 2 1 350.506 3.159 20 0 FGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000539215588 504499863 /nfs/dbraw/zinc/49/98/63/504499863.db2.gz LFOWYGSCVKFLKD-UWJYYQICSA-N 2 1 358.913 3.498 20 0 FGADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000539215588 504499865 /nfs/dbraw/zinc/49/98/65/504499865.db2.gz LFOWYGSCVKFLKD-UWJYYQICSA-N 2 1 358.913 3.498 20 0 FGADMP CN(CC[N@@H+](C)CCCOc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000539236730 504507278 /nfs/dbraw/zinc/50/72/78/504507278.db2.gz SGEDMIYZVAWWFO-UHFFFAOYSA-N 2 1 353.938 3.067 20 0 FGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250612 504512321 /nfs/dbraw/zinc/51/23/21/504512321.db2.gz AMBOLZJQYOLYOX-QUCCMNQESA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000520544924 504524799 /nfs/dbraw/zinc/52/47/99/504524799.db2.gz BONPSOXWCVPTRW-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCOCC3(CCC3)C2)CC1 ZINC000545554614 504525272 /nfs/dbraw/zinc/52/52/72/504525272.db2.gz AMNCZKYLKOYTST-UHFFFAOYSA-N 2 1 357.542 3.221 20 0 FGADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC2)cc(Br)c1OC ZINC000535760052 504535368 /nfs/dbraw/zinc/53/53/68/504535368.db2.gz FQPBVXDICFHXEL-UHFFFAOYSA-N 2 1 357.292 3.042 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000532108581 504537149 /nfs/dbraw/zinc/53/71/49/504537149.db2.gz ZLEUPEIOLBLYPO-ZWKOTPCHSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000548714975 504538461 /nfs/dbraw/zinc/53/84/61/504538461.db2.gz BLQVELDAMFFXQT-ICSRJNTNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714975 504538465 /nfs/dbraw/zinc/53/84/65/504538465.db2.gz BLQVELDAMFFXQT-ICSRJNTNSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714975 504538469 /nfs/dbraw/zinc/53/84/69/504538469.db2.gz BLQVELDAMFFXQT-ICSRJNTNSA-N 2 1 357.542 3.420 20 0 FGADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187394 504566202 /nfs/dbraw/zinc/56/62/02/504566202.db2.gz BUWCQAIJVUKIHI-IEBWSBKVSA-N 2 1 373.566 3.266 20 0 FGADMP COc1ccccc1[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188696 504566943 /nfs/dbraw/zinc/56/69/43/504566943.db2.gz ZUQLDYLMBUMENV-WMZOPIPTSA-N 2 1 359.539 3.396 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCc3c2cccc3F)c2cccs2)CC1 ZINC000532187796 504567516 /nfs/dbraw/zinc/56/75/16/504567516.db2.gz FPOBLEQCRQWWHQ-OALUTQOASA-N 2 1 359.514 3.453 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000520887483 504603928 /nfs/dbraw/zinc/60/39/28/504603928.db2.gz WPUQHAIPWSHRFO-PMACEKPBSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000520887483 504603930 /nfs/dbraw/zinc/60/39/30/504603930.db2.gz WPUQHAIPWSHRFO-PMACEKPBSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000520887483 504603931 /nfs/dbraw/zinc/60/39/31/504603931.db2.gz WPUQHAIPWSHRFO-PMACEKPBSA-N 2 1 366.594 3.452 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000542840346 504631438 /nfs/dbraw/zinc/63/14/38/504631438.db2.gz JLPKXOAOPSGBPC-OAHLLOKOSA-N 2 1 352.404 3.275 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(C)(C)C)s2)CC1 ZINC000532417146 504642792 /nfs/dbraw/zinc/64/27/92/504642792.db2.gz LCKXMSCPJHRMOO-UHFFFAOYSA-N 2 1 358.511 3.445 20 0 FGADMP CC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448702 504655456 /nfs/dbraw/zinc/65/54/56/504655456.db2.gz VTAKJKYASJAITL-ICSRJNTNSA-N 2 1 359.514 3.016 20 0 FGADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448704 504655562 /nfs/dbraw/zinc/65/55/62/504655562.db2.gz VTAKJKYASJAITL-UYAOXDASSA-N 2 1 359.514 3.016 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](CC)C2)CC1 ZINC000521163386 504666016 /nfs/dbraw/zinc/66/60/16/504666016.db2.gz NAMBMASRJMIMNG-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)CN(C)[C@@H](C)c2ccco2)CC1 ZINC000521198829 504675617 /nfs/dbraw/zinc/67/56/17/504675617.db2.gz GFIKOMLPUUMVBD-MSOLQXFVSA-N 2 1 355.482 3.178 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000532520310 504680835 /nfs/dbraw/zinc/68/08/35/504680835.db2.gz OSGOOODUGSCHTN-RXVVDRJESA-N 2 1 365.525 3.088 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cnccn3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000532520310 504680839 /nfs/dbraw/zinc/68/08/39/504680839.db2.gz OSGOOODUGSCHTN-RXVVDRJESA-N 2 1 365.525 3.088 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000532538381 504686657 /nfs/dbraw/zinc/68/66/57/504686657.db2.gz UDBABMGMSQIKQG-UHFFFAOYSA-N 2 1 351.922 3.008 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnc3ccc(Br)cn23)C[C@@H]1C ZINC000539816979 504699279 /nfs/dbraw/zinc/69/92/79/504699279.db2.gz IBOQZNROIUMYQS-DZGCQCFKSA-N 2 1 365.319 3.401 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000543079636 504715356 /nfs/dbraw/zinc/71/53/56/504715356.db2.gz LGMFTBYRIKQBBX-FQEVSTJZSA-N 2 1 374.525 3.326 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000543079636 504715361 /nfs/dbraw/zinc/71/53/61/504715361.db2.gz LGMFTBYRIKQBBX-FQEVSTJZSA-N 2 1 374.525 3.326 20 0 FGADMP COc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc(C(F)(F)F)c1 ZINC000529528749 504715507 /nfs/dbraw/zinc/71/55/07/504715507.db2.gz VCHTVDIHASLWDU-UHFFFAOYSA-N 2 1 360.420 3.257 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3OCC3CC3)CC2)CC1 ZINC000539862124 504721147 /nfs/dbraw/zinc/72/11/47/504721147.db2.gz IFOAVRDHWDKZNE-UHFFFAOYSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)C[C@H](C)O1 ZINC000539861645 504721268 /nfs/dbraw/zinc/72/12/68/504721268.db2.gz XEBMDPINOVPBAZ-HDICACEKSA-N 2 1 358.526 3.333 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000521385049 504724361 /nfs/dbraw/zinc/72/43/61/504724361.db2.gz ABCUZSDPCPQOBT-RTWAWAEBSA-N 2 1 370.541 3.463 20 0 FGADMP O[C@@H](C[NH2+][C@@H](Cc1cccnc1)c1ccc(Cl)cc1)C[NH+]1CCCC1 ZINC000546163977 504730942 /nfs/dbraw/zinc/73/09/42/504730942.db2.gz UWECTDPGXUTHOZ-PMACEKPBSA-N 2 1 359.901 3.065 20 0 FGADMP CC[C@@H](C)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426919 504731131 /nfs/dbraw/zinc/73/11/31/504731131.db2.gz DATJKOFBLQTJNU-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000536426919 504731136 /nfs/dbraw/zinc/73/11/36/504731136.db2.gz DATJKOFBLQTJNU-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895580 504732305 /nfs/dbraw/zinc/73/23/05/504732305.db2.gz FBWWEMAMNUSEFI-FSSWDIPSSA-N 2 1 351.494 3.432 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000539894563 504733273 /nfs/dbraw/zinc/73/32/73/504733273.db2.gz AMZVEWGYCBOSAZ-YPAWHYETSA-N 2 1 373.585 3.328 20 0 FGADMP CCCC[N@@H+](C)CC1CCN([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428621 504734804 /nfs/dbraw/zinc/73/48/04/504734804.db2.gz KRXYWTWHJDWLIW-QGZVFWFLSA-N 2 1 356.518 3.167 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428621 504734807 /nfs/dbraw/zinc/73/48/07/504734807.db2.gz KRXYWTWHJDWLIW-QGZVFWFLSA-N 2 1 356.518 3.167 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428621 504734811 /nfs/dbraw/zinc/73/48/11/504734811.db2.gz KRXYWTWHJDWLIW-QGZVFWFLSA-N 2 1 356.518 3.167 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486019 504746032 /nfs/dbraw/zinc/74/60/32/504746032.db2.gz HHJHZWGTKBFCRJ-FPOVZHCZSA-N 2 1 357.542 3.135 20 0 FGADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763145 504754203 /nfs/dbraw/zinc/75/42/03/504754203.db2.gz NPRFWDUBFOGXHC-RCCFBDPRSA-N 2 1 371.525 3.304 20 0 FGADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000532763145 504754207 /nfs/dbraw/zinc/75/42/07/504754207.db2.gz NPRFWDUBFOGXHC-RCCFBDPRSA-N 2 1 371.525 3.304 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2nccs2)CC1)CC1CC1 ZINC000540050122 504766138 /nfs/dbraw/zinc/76/61/38/504766138.db2.gz KGVWIWBADCQGJN-HNNXBMFYSA-N 2 1 364.559 3.304 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)Nc2nccs2)CC1)CC1CC1 ZINC000540050122 504766139 /nfs/dbraw/zinc/76/61/39/504766139.db2.gz KGVWIWBADCQGJN-HNNXBMFYSA-N 2 1 364.559 3.304 20 0 FGADMP CN(C)Cc1ccc(CNC(=O)c2cccc(Cn3ccnc3)c2)cc1F ZINC000565057263 504783884 /nfs/dbraw/zinc/78/38/84/504783884.db2.gz PFEWCNIYVSLGBT-UHFFFAOYSA-N 2 1 366.440 3.062 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050346 504786966 /nfs/dbraw/zinc/78/69/66/504786966.db2.gz CHYSSPXBEWYEBI-YPAWHYETSA-N 2 1 359.558 3.158 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)N1CCOCC1 ZINC000556050346 504786971 /nfs/dbraw/zinc/78/69/71/504786971.db2.gz CHYSSPXBEWYEBI-YPAWHYETSA-N 2 1 359.558 3.158 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC3(C)C)cc2)C[C@H]1C ZINC000556117410 504799777 /nfs/dbraw/zinc/79/97/77/504799777.db2.gz BKRNXZQDKFJEHR-LVCYWYKZSA-N 2 1 360.542 3.353 20 0 FGADMP COc1ccc(F)c(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000559245182 504806844 /nfs/dbraw/zinc/80/68/44/504806844.db2.gz UNMLQDYGBYNILI-JOCHJYFZSA-N 2 1 371.500 3.303 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4cccnc43)CC2)CC1 ZINC000565173078 504816115 /nfs/dbraw/zinc/81/61/15/504816115.db2.gz QOWRZTGKCQGEPB-UHFFFAOYSA-N 2 1 366.509 3.370 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231933 504823885 /nfs/dbraw/zinc/82/38/85/504823885.db2.gz GLDZMFIMNWSBRJ-ICSRJNTNSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)c1cnccn1 ZINC000556231933 504823889 /nfs/dbraw/zinc/82/38/89/504823889.db2.gz GLDZMFIMNWSBRJ-ICSRJNTNSA-N 2 1 366.509 3.056 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H](c2ncc[nH]2)c2ccccc2)[C@H]1c1ccccc1 ZINC000553211738 504853411 /nfs/dbraw/zinc/85/34/11/504853411.db2.gz FDWSGGPNCHNJAA-RZUBCFFCSA-N 2 1 374.488 3.493 20 0 FGADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000559423360 504858990 /nfs/dbraw/zinc/85/89/90/504858990.db2.gz PJVNXGARQSHAOP-OAHLLOKOSA-N 2 1 350.528 3.005 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000549755357 504888978 /nfs/dbraw/zinc/88/89/78/504888978.db2.gz VIGLPOIKOBZHEU-INIZCTEOSA-N 2 1 367.484 3.120 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000553351286 504891182 /nfs/dbraw/zinc/89/11/82/504891182.db2.gz HJXXDBHOESASQK-FPOVZHCZSA-N 2 1 369.484 3.067 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000559636039 504901618 /nfs/dbraw/zinc/90/16/18/504901618.db2.gz FPBBRKWVYGZKLN-CTNGQTDRSA-N 2 1 366.509 3.257 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C1 ZINC000559636039 504901620 /nfs/dbraw/zinc/90/16/20/504901620.db2.gz FPBBRKWVYGZKLN-CTNGQTDRSA-N 2 1 366.509 3.257 20 0 FGADMP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556663035 504932251 /nfs/dbraw/zinc/93/22/51/504932251.db2.gz ZUERJTSNMFHTPD-KXBFYZLASA-N 2 1 369.912 3.320 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654876 504950162 /nfs/dbraw/zinc/95/01/62/504950162.db2.gz NRAQBNHLTVMXGZ-UNWVZKJWSA-N 2 1 374.569 3.399 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCCO[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686134 504957947 /nfs/dbraw/zinc/95/79/47/504957947.db2.gz SLQMTUWQLFYXIH-FSSWDIPSSA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686134 504957950 /nfs/dbraw/zinc/95/79/50/504957950.db2.gz SLQMTUWQLFYXIH-FSSWDIPSSA-N 2 1 358.526 3.374 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCCO[C@H]4CCCCO4)C[C@H]3C2)cc1 ZINC000565686134 504957954 /nfs/dbraw/zinc/95/79/54/504957954.db2.gz SLQMTUWQLFYXIH-FSSWDIPSSA-N 2 1 358.526 3.374 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000560094546 504990565 /nfs/dbraw/zinc/99/05/65/504990565.db2.gz QEHAIDHMZZKFLU-SFHVURJKSA-N 2 1 370.541 3.051 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212244 504993441 /nfs/dbraw/zinc/99/34/41/504993441.db2.gz VXGKJOKTZITLOU-GHTZIAJQSA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212244 504993443 /nfs/dbraw/zinc/99/34/43/504993443.db2.gz VXGKJOKTZITLOU-GHTZIAJQSA-N 2 1 369.484 3.034 20 0 FGADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556884440 505005497 /nfs/dbraw/zinc/00/54/97/505005497.db2.gz KFYCWHBPVPDWLN-LXHROKJGSA-N 2 1 369.553 3.182 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553775234 505006305 /nfs/dbraw/zinc/00/63/05/505006305.db2.gz SHNHFOBQGVAGIA-LMNJBCLMSA-N 2 1 373.516 3.123 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H]2CCC[C@H]21 ZINC000556885984 505007106 /nfs/dbraw/zinc/00/71/06/505007106.db2.gz ROEHMXZOUOCSRN-YESZJQIVSA-N 2 1 360.889 3.395 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556909924 505014823 /nfs/dbraw/zinc/01/48/23/505014823.db2.gz MVZBEXHCKFLOOO-UWHLTILDSA-N 2 1 350.510 3.371 20 0 FGADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000556909924 505014825 /nfs/dbraw/zinc/01/48/25/505014825.db2.gz MVZBEXHCKFLOOO-UWHLTILDSA-N 2 1 350.510 3.371 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)Nc1cc(C[NH+]3CCCC3)ccc1C)CC2 ZINC000565896768 505019992 /nfs/dbraw/zinc/01/99/92/505019992.db2.gz VXQZDKSLTBQQAS-GOSISDBHSA-N 2 1 352.482 3.297 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917907 505026345 /nfs/dbraw/zinc/02/63/45/505026345.db2.gz STNUCDRWWKZETB-KGLIPLIRSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917907 505026347 /nfs/dbraw/zinc/02/63/47/505026347.db2.gz STNUCDRWWKZETB-KGLIPLIRSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)CC(F)(F)F)C2)s1 ZINC000565917907 505026348 /nfs/dbraw/zinc/02/63/48/505026348.db2.gz STNUCDRWWKZETB-KGLIPLIRSA-N 2 1 350.450 3.124 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OCC(F)(F)F ZINC000563135150 505057538 /nfs/dbraw/zinc/05/75/38/505057538.db2.gz HTFGTUXNZVENKK-HOTGVXAUSA-N 2 1 372.431 3.458 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000553976858 505058837 /nfs/dbraw/zinc/05/88/37/505058837.db2.gz GSYXDERYZLQDGF-LAUBAEHRSA-N 2 1 351.494 3.377 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071282 505071972 /nfs/dbraw/zinc/07/19/72/505071972.db2.gz SUSSAJNYMPTVCQ-UXHICEINSA-N 2 1 358.551 3.414 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071282 505071973 /nfs/dbraw/zinc/07/19/73/505071973.db2.gz SUSSAJNYMPTVCQ-UXHICEINSA-N 2 1 358.551 3.414 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)Cc3ccccc3)C2)s1 ZINC000566071282 505071974 /nfs/dbraw/zinc/07/19/74/505071974.db2.gz SUSSAJNYMPTVCQ-UXHICEINSA-N 2 1 358.551 3.414 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)c2)C[C@H](C)O1 ZINC000566184541 505106687 /nfs/dbraw/zinc/10/66/87/505106687.db2.gz KSVZWKMUACHYRX-WCIYBSDLSA-N 2 1 371.525 3.014 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)c2)C[C@H](C)O1 ZINC000566184541 505106692 /nfs/dbraw/zinc/10/66/92/505106692.db2.gz KSVZWKMUACHYRX-WCIYBSDLSA-N 2 1 371.525 3.014 20 0 FGADMP C[C@@H]1CC2(CN1C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209649 505112864 /nfs/dbraw/zinc/11/28/64/505112864.db2.gz UUBSEIWAEICJRN-MJGOQNOKSA-N 2 1 373.516 3.028 20 0 FGADMP COC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550882538 505119408 /nfs/dbraw/zinc/11/94/08/505119408.db2.gz NIRORGBZFYSEMM-HWELCPFYSA-N 2 1 372.553 3.462 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc([C@@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000563375604 505125701 /nfs/dbraw/zinc/12/57/01/505125701.db2.gz DRJWEKUXZDOGFR-OXJNMPFZSA-N 2 1 373.541 3.216 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)[C@H](C)c1cccnc1 ZINC000563382179 505127706 /nfs/dbraw/zinc/12/77/06/505127706.db2.gz DUFDNLPCWLEKRQ-GOSISDBHSA-N 2 1 372.557 3.187 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]cn1)c1ccc(Cl)cc1 ZINC000563397940 505131528 /nfs/dbraw/zinc/13/15/28/505131528.db2.gz NHXKBRPHSNUVPV-KSSFIOAISA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@H+](C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397940 505131533 /nfs/dbraw/zinc/13/15/33/505131533.db2.gz NHXKBRPHSNUVPV-KSSFIOAISA-N 2 1 362.905 3.441 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)c1ccc(Cl)cc1 ZINC000563397940 505131538 /nfs/dbraw/zinc/13/15/38/505131538.db2.gz NHXKBRPHSNUVPV-KSSFIOAISA-N 2 1 362.905 3.441 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C(C)C)[C@H]3C(C)C)CC2)CC1 ZINC000563409793 505135180 /nfs/dbraw/zinc/13/51/80/505135180.db2.gz SAAXCDBRBMHOFM-NHCUHLMSSA-N 2 1 363.590 3.322 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C(C)C)[C@@H]3C(C)C)CC2)CC1 ZINC000563409794 505135325 /nfs/dbraw/zinc/13/53/25/505135325.db2.gz SAAXCDBRBMHOFM-RTWAWAEBSA-N 2 1 363.590 3.322 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1cn2ccccc2n1 ZINC000563416026 505136989 /nfs/dbraw/zinc/13/69/89/505136989.db2.gz FLOJQUDPBHJNRR-FXAWDEMLSA-N 2 1 364.493 3.142 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cn2ccccc2n1 ZINC000563416026 505136991 /nfs/dbraw/zinc/13/69/91/505136991.db2.gz FLOJQUDPBHJNRR-FXAWDEMLSA-N 2 1 364.493 3.142 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458594 505141021 /nfs/dbraw/zinc/14/10/21/505141021.db2.gz YIWTYDHAFFIMHE-UYAOXDASSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458594 505141024 /nfs/dbraw/zinc/14/10/24/505141024.db2.gz YIWTYDHAFFIMHE-UYAOXDASSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C[C@@]1(C)C[NH3+] ZINC000563446037 505143903 /nfs/dbraw/zinc/14/39/03/505143903.db2.gz FSXGYDRGLVDFNH-IIBYNOLFSA-N 2 1 353.514 3.477 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551084365 505153843 /nfs/dbraw/zinc/15/38/43/505153843.db2.gz YTRXRDOZMJSQAN-PZJWPPBQSA-N 2 1 368.477 3.164 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)c1 ZINC000551084365 505153848 /nfs/dbraw/zinc/15/38/48/505153848.db2.gz YTRXRDOZMJSQAN-PZJWPPBQSA-N 2 1 368.477 3.164 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000557548676 505164220 /nfs/dbraw/zinc/16/42/20/505164220.db2.gz RFIYUJUZBVJXBR-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000557548676 505164224 /nfs/dbraw/zinc/16/42/24/505164224.db2.gz RFIYUJUZBVJXBR-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000557548676 505164226 /nfs/dbraw/zinc/16/42/26/505164226.db2.gz RFIYUJUZBVJXBR-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CCc1ccc(C[N@H+]2CCC[C@H](CN3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200402 /nfs/dbraw/zinc/20/04/02/505200402.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(CN2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200407 /nfs/dbraw/zinc/20/04/07/505200407.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200416 /nfs/dbraw/zinc/20/04/16/505200416.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200421 /nfs/dbraw/zinc/20/04/21/505200421.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200427 /nfs/dbraw/zinc/20/04/27/505200427.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 1 363.571 3.077 20 0 FGADMP CCc1ccc(C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)s1 ZINC000566543061 505200429 /nfs/dbraw/zinc/20/04/29/505200429.db2.gz PQGTWMNPJFFLOP-GOSISDBHSA-N 2 1 363.571 3.077 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556287 505204803 /nfs/dbraw/zinc/20/48/03/505204803.db2.gz JXBZIQDJDRVUQV-FFZSDIPESA-N 2 1 366.933 3.385 20 0 FGADMP COc1ccc2c(c1)CN(C[C@H]1C[N@@H+](Cc3ccccc3)CCCO1)CC2 ZINC000551382239 505213680 /nfs/dbraw/zinc/21/36/80/505213680.db2.gz NAQBJOGBYJPAKY-HSZRJFAPSA-N 2 1 366.505 3.344 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965870 505217747 /nfs/dbraw/zinc/21/77/47/505217747.db2.gz DJGFNSOJMBADBP-VALFRTSSSA-N 2 1 366.509 3.478 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)CC1 ZINC000563751426 505228763 /nfs/dbraw/zinc/22/87/63/505228763.db2.gz AQZQKPDLDZXFCB-HXUWFJFHSA-N 2 1 356.489 3.234 20 0 FGADMP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[C@@H]1[NH3+] ZINC000561131312 505258591 /nfs/dbraw/zinc/25/85/91/505258591.db2.gz BEWQAFFYNHJNQO-UTKZUKDTSA-N 2 1 372.557 3.330 20 0 FGADMP Cc1ccc(C[C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000563943192 505283591 /nfs/dbraw/zinc/28/35/91/505283591.db2.gz ASPPGMLSTKOVSS-OAQYLSRUSA-N 2 1 371.569 3.239 20 0 FGADMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000566880610 505298889 /nfs/dbraw/zinc/29/88/89/505298889.db2.gz UHWRSPZZBYBMCC-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000566880610 505298893 /nfs/dbraw/zinc/29/88/93/505298893.db2.gz UHWRSPZZBYBMCC-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000566880610 505298896 /nfs/dbraw/zinc/29/88/96/505298896.db2.gz UHWRSPZZBYBMCC-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000566880610 505298899 /nfs/dbraw/zinc/29/88/99/505298899.db2.gz UHWRSPZZBYBMCC-FQEVSTJZSA-N 2 1 361.505 3.123 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000554924699 505300955 /nfs/dbraw/zinc/30/09/55/505300955.db2.gz FGCAXXHYRAAHRR-QGZVFWFLSA-N 2 1 355.530 3.486 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC000564029415 505305653 /nfs/dbraw/zinc/30/56/53/505305653.db2.gz MCCRDYLNIHVWFL-IBGZPJMESA-N 2 1 374.529 3.168 20 0 FGADMP C[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000555050378 505336344 /nfs/dbraw/zinc/33/63/44/505336344.db2.gz XNGAMYWUZRTFGL-UHFFFAOYSA-N 2 1 369.484 3.283 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000561591152 505385180 /nfs/dbraw/zinc/38/51/80/505385180.db2.gz PWFDUTMMUKRAFM-RXVVDRJESA-N 2 1 372.557 3.261 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063801 505386815 /nfs/dbraw/zinc/38/68/15/505386815.db2.gz NLCBBKSWHOJVLC-YPAWHYETSA-N 3 1 357.542 3.122 20 0 FGADMP CN1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@H]2CCC[C@H]21 ZINC000552063801 505386817 /nfs/dbraw/zinc/38/68/17/505386817.db2.gz NLCBBKSWHOJVLC-YPAWHYETSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063801 505386822 /nfs/dbraw/zinc/38/68/22/505386822.db2.gz NLCBBKSWHOJVLC-YPAWHYETSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552063801 505386827 /nfs/dbraw/zinc/38/68/27/505386827.db2.gz NLCBBKSWHOJVLC-YPAWHYETSA-N 2 1 357.542 3.122 20 0 FGADMP CO[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000552065486 505387790 /nfs/dbraw/zinc/38/77/90/505387790.db2.gz BKUQJLUPQXRJPI-YSFYHYPLSA-N 2 1 358.526 3.072 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064162 505387913 /nfs/dbraw/zinc/38/79/13/505387913.db2.gz ZNYVNORCVWLBLB-VSKRKVRLSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064162 505387917 /nfs/dbraw/zinc/38/79/17/505387917.db2.gz ZNYVNORCVWLBLB-VSKRKVRLSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064162 505387920 /nfs/dbraw/zinc/38/79/20/505387920.db2.gz ZNYVNORCVWLBLB-VSKRKVRLSA-N 2 1 356.558 3.109 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567206539 505394239 /nfs/dbraw/zinc/39/42/39/505394239.db2.gz OHFQOXMKFDYCAN-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567206539 505394240 /nfs/dbraw/zinc/39/42/40/505394240.db2.gz OHFQOXMKFDYCAN-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567206539 505394244 /nfs/dbraw/zinc/39/42/44/505394244.db2.gz OHFQOXMKFDYCAN-SFHLNBCPSA-N 2 1 374.573 3.317 20 0 FGADMP CSc1ccc([C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000561727355 505419801 /nfs/dbraw/zinc/41/98/01/505419801.db2.gz UAJZVTFPBIPKFU-RCJHGTSTSA-N 2 1 363.571 3.389 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444855 505421817 /nfs/dbraw/zinc/42/18/17/505421817.db2.gz XIEVTTFRLJULEV-GDBMZVCRSA-N 2 1 372.340 3.007 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)C2 ZINC000558554930 505422090 /nfs/dbraw/zinc/42/20/90/505422090.db2.gz SQPSWVSFHQJQIL-QGZVFWFLSA-N 2 1 352.482 3.029 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)C2 ZINC000558554930 505422092 /nfs/dbraw/zinc/42/20/92/505422092.db2.gz SQPSWVSFHQJQIL-QGZVFWFLSA-N 2 1 352.482 3.029 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000558602711 505436170 /nfs/dbraw/zinc/43/61/70/505436170.db2.gz LRXYCNREEHCASG-SJLPKXTDSA-N 2 1 364.534 3.145 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000552244946 505438751 /nfs/dbraw/zinc/43/87/51/505438751.db2.gz OCVLGVUCIWIDAZ-ALGWMNEGSA-N 2 1 363.496 3.392 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000552246476 505439872 /nfs/dbraw/zinc/43/98/72/505439872.db2.gz VUYZBPFPAFUTOU-PCCBWWKXSA-N 2 1 355.526 3.001 20 0 FGADMP CC[C@H](C(=O)NCC[NH+]1CCc2ccccc2C1)[N@H+](C)Cc1ccccc1 ZINC000555549131 505453635 /nfs/dbraw/zinc/45/36/35/505453635.db2.gz XZCRSKXGNCDJRI-JOCHJYFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[C@H](C(=O)NCC[NH+]1CCc2ccccc2C1)[N@@H+](C)Cc1ccccc1 ZINC000555549131 505453638 /nfs/dbraw/zinc/45/36/38/505453638.db2.gz XZCRSKXGNCDJRI-JOCHJYFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000555549131 505453641 /nfs/dbraw/zinc/45/36/41/505453641.db2.gz XZCRSKXGNCDJRI-JOCHJYFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[C@H](C(=O)NCC[N@H+]1CCc2ccccc2C1)[NH+](C)Cc1ccccc1 ZINC000555549131 505453645 /nfs/dbraw/zinc/45/36/45/505453645.db2.gz XZCRSKXGNCDJRI-JOCHJYFZSA-N 2 1 365.521 3.072 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1)C1CC1 ZINC000558787538 505492453 /nfs/dbraw/zinc/49/24/53/505492453.db2.gz PZKDPYFFSOBSQP-UHFFFAOYSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564802288 505524158 /nfs/dbraw/zinc/52/41/58/505524158.db2.gz ZJMVWSORWAMVKH-GCJKJVERSA-N 2 1 369.553 3.377 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCOCC2)c2ccccc21 ZINC000564825635 505530801 /nfs/dbraw/zinc/53/08/01/505530801.db2.gz YYQNUURBNUOVAS-NJYVYQBISA-N 2 1 371.912 3.448 20 0 FGADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1sccc1Br ZINC000564828041 505531391 /nfs/dbraw/zinc/53/13/91/505531391.db2.gz PORDBHMAPXMAJI-HSBZDZAISA-N 2 1 372.376 3.378 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552686558 505535639 /nfs/dbraw/zinc/53/56/39/505535639.db2.gz BIMFEQHSQFHYAF-MJGOQNOKSA-N 2 1 369.912 3.463 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000552686558 505535645 /nfs/dbraw/zinc/53/56/45/505535645.db2.gz BIMFEQHSQFHYAF-MJGOQNOKSA-N 2 1 369.912 3.463 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1)C1=CC[N@@H+](C)CC1 ZINC000567709844 505545438 /nfs/dbraw/zinc/54/54/38/505545438.db2.gz ATGLGYFVBPPGIK-CYBMUJFWSA-N 2 1 355.404 3.274 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813920 505565174 /nfs/dbraw/zinc/56/51/74/505565174.db2.gz UBBLCZIZDSFZOE-SBHAEUEKSA-N 2 1 373.516 3.028 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567813920 505565175 /nfs/dbraw/zinc/56/51/75/505565175.db2.gz UBBLCZIZDSFZOE-SBHAEUEKSA-N 2 1 373.516 3.028 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000608067793 506404152 /nfs/dbraw/zinc/40/41/52/506404152.db2.gz SFBQXIXWNPZNLT-WFASDCNBSA-N 2 1 369.303 3.040 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000608067793 506404157 /nfs/dbraw/zinc/40/41/57/506404157.db2.gz SFBQXIXWNPZNLT-WFASDCNBSA-N 2 1 369.303 3.040 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(CC(C)C)CC(C)C)CC2)CC1 ZINC000582794418 506423225 /nfs/dbraw/zinc/42/32/25/506423225.db2.gz KARGSEIECXKKHT-UHFFFAOYSA-N 2 1 351.579 3.323 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000589220843 506489779 /nfs/dbraw/zinc/48/97/79/506489779.db2.gz XXASLXMETAPFOX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000589220843 506489771 /nfs/dbraw/zinc/48/97/71/506489771.db2.gz XXASLXMETAPFOX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000589220843 506489785 /nfs/dbraw/zinc/48/97/85/506489785.db2.gz XXASLXMETAPFOX-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000589221064 506490109 /nfs/dbraw/zinc/49/01/09/506490109.db2.gz NRSSJUYULKBBPU-FQEVSTJZSA-N 2 1 374.573 3.067 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000589221064 506490114 /nfs/dbraw/zinc/49/01/14/506490114.db2.gz NRSSJUYULKBBPU-FQEVSTJZSA-N 2 1 374.573 3.067 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000589221064 506490119 /nfs/dbraw/zinc/49/01/19/506490119.db2.gz NRSSJUYULKBBPU-FQEVSTJZSA-N 2 1 374.573 3.067 20 0 FGADMP CCC(CC)(CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000603593416 506569085 /nfs/dbraw/zinc/56/90/85/506569085.db2.gz GYSMHZCPCJAWJU-IEBWSBKVSA-N 2 1 360.546 3.289 20 0 FGADMP CCC(CC)(C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000608477173 506579784 /nfs/dbraw/zinc/57/97/84/506579784.db2.gz FUPPBLUNZFNLTD-NRFANRHFSA-N 2 1 371.569 3.371 20 0 FGADMP CCN(CC)[C@H](C(=O)N1CCN(CC)CC1)c1cccc(C(F)(F)F)c1 ZINC000603814340 506622459 /nfs/dbraw/zinc/62/24/59/506622459.db2.gz GKRQTMDLMMMFIH-KRWDZBQOSA-N 2 1 371.447 3.252 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204495 506647556 /nfs/dbraw/zinc/64/75/56/506647556.db2.gz XANUUAILDWTIQL-ROUUACIJSA-N 2 1 370.497 3.087 20 0 FGADMP Cc1cc(C)cc(OCc2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000583204495 506647562 /nfs/dbraw/zinc/64/75/62/506647562.db2.gz XANUUAILDWTIQL-ROUUACIJSA-N 2 1 370.497 3.087 20 0 FGADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000583246597 506671651 /nfs/dbraw/zinc/67/16/51/506671651.db2.gz WFDNNWSEEXHQPE-GOSISDBHSA-N 2 1 367.497 3.444 20 0 FGADMP CC[C@@H]1CN(C)CCN1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000583246597 506671659 /nfs/dbraw/zinc/67/16/59/506671659.db2.gz WFDNNWSEEXHQPE-GOSISDBHSA-N 2 1 367.497 3.444 20 0 FGADMP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000604176083 506737791 /nfs/dbraw/zinc/73/77/91/506737791.db2.gz VMVXWQKIZSPRNN-NJDAHSKKSA-N 2 1 370.541 3.140 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000604179043 506739385 /nfs/dbraw/zinc/73/93/85/506739385.db2.gz ANHODMGKKUNDSL-VQTJNVASSA-N 2 1 374.573 3.189 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000590152255 506751873 /nfs/dbraw/zinc/75/18/73/506751873.db2.gz OLTISHBTFUYIRZ-UHFFFAOYSA-N 2 1 364.578 3.301 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2csc(CC(=O)OC(C)C)n2)CC1 ZINC000608991181 506759427 /nfs/dbraw/zinc/75/94/27/506759427.db2.gz JGUVINCPYWKJLE-UHFFFAOYSA-N 2 1 367.559 3.191 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656141 506903403 /nfs/dbraw/zinc/90/34/03/506903403.db2.gz CYIFTPMVNDXWJB-TZIWHRDSSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1Cl ZINC000604773680 506938311 /nfs/dbraw/zinc/93/83/11/506938311.db2.gz YBVLIXFXRYMYNT-PBHICJAKSA-N 2 1 353.938 3.301 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000594103985 506941277 /nfs/dbraw/zinc/94/12/77/506941277.db2.gz QHEHDHLGNCTNHF-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3CC[C@H]2C)CC1 ZINC000590787016 506956981 /nfs/dbraw/zinc/95/69/81/506956981.db2.gz QPGHUPIUHZBUAO-GOSISDBHSA-N 2 1 357.542 3.407 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000590819044 506980271 /nfs/dbraw/zinc/98/02/71/506980271.db2.gz VCMSAYYREIKYGS-GGAORHGYSA-N 2 1 374.569 3.494 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000584002338 507098062 /nfs/dbraw/zinc/09/80/62/507098062.db2.gz VIZLGLQRLYUPPL-KDOFPFPSSA-N 2 1 351.922 3.131 20 0 FGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000591083673 507105994 /nfs/dbraw/zinc/10/59/94/507105994.db2.gz ZCWAOVJXAPCCIL-GGAORHGYSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000591083673 507106000 /nfs/dbraw/zinc/10/60/00/507106000.db2.gz ZCWAOVJXAPCCIL-GGAORHGYSA-N 2 1 373.585 3.331 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1cccc(OC)c1 ZINC000591095395 507111558 /nfs/dbraw/zinc/11/15/58/507111558.db2.gz KCTYJTVZNQMCIY-PMACEKPBSA-N 2 1 361.530 3.069 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCC(C)CC2)CC1 ZINC000613492341 507117381 /nfs/dbraw/zinc/11/73/81/507117381.db2.gz IIZBQYZANFFJIV-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CCCc3ccccc32)CC1 ZINC000594470529 507146654 /nfs/dbraw/zinc/14/66/54/507146654.db2.gz AVBAMMYSRNOHPC-GOSISDBHSA-N 2 1 364.493 3.282 20 0 FGADMP CSCc1cc(F)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594495829 507155812 /nfs/dbraw/zinc/15/58/12/507155812.db2.gz DAYWHMFLKUTXGC-IBGZPJMESA-N 2 1 352.519 3.422 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3Br)C2)CC1 ZINC000610250266 507161265 /nfs/dbraw/zinc/16/12/65/507161265.db2.gz KDVFYOSBYOZEBC-QGZVFWFLSA-N 2 1 366.347 3.049 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3Br)C2)CC1 ZINC000610250266 507161277 /nfs/dbraw/zinc/16/12/77/507161277.db2.gz KDVFYOSBYOZEBC-QGZVFWFLSA-N 2 1 366.347 3.049 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000584200528 507208260 /nfs/dbraw/zinc/20/82/60/507208260.db2.gz CIZOUZZVQRXZST-DOTOQJQBSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000584200528 507208264 /nfs/dbraw/zinc/20/82/64/507208264.db2.gz CIZOUZZVQRXZST-DOTOQJQBSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584200528 507208267 /nfs/dbraw/zinc/20/82/67/507208267.db2.gz CIZOUZZVQRXZST-DOTOQJQBSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@@H](Cc1ccccc1Br)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584200528 507208269 /nfs/dbraw/zinc/20/82/69/507208269.db2.gz CIZOUZZVQRXZST-DOTOQJQBSA-N 2 1 369.347 3.157 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000605560829 507242034 /nfs/dbraw/zinc/24/20/34/507242034.db2.gz XSGJCZBMCSQGJJ-LJQANCHMSA-N 2 1 359.514 3.283 20 0 FGADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCC[NH+]4CCCC(C)(C)C4)cc3c2C1 ZINC000614052946 507347410 /nfs/dbraw/zinc/34/74/10/507347410.db2.gz OZSSOQQLNQKCQC-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NCC[NH+]4CCCC(C)(C)C4)cc3c2C1 ZINC000614052946 507347419 /nfs/dbraw/zinc/34/74/19/507347419.db2.gz OZSSOQQLNQKCQC-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NCC[N@@H+]4CCCC(C)(C)C4)cc3c2C1 ZINC000614052946 507347427 /nfs/dbraw/zinc/34/74/27/507347427.db2.gz OZSSOQQLNQKCQC-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NCC[N@H+]4CCCC(C)(C)C4)cc3c2C1 ZINC000614052946 507347436 /nfs/dbraw/zinc/34/74/36/507347436.db2.gz OZSSOQQLNQKCQC-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024500 507359233 /nfs/dbraw/zinc/35/92/33/507359233.db2.gz GSFJYYXXUBXYRX-DJSGYFEHSA-N 2 1 370.278 3.351 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024500 507359239 /nfs/dbraw/zinc/35/92/39/507359239.db2.gz GSFJYYXXUBXYRX-DJSGYFEHSA-N 2 1 370.278 3.351 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+]C[C@H]2CNc3ccnn3C2)C1 ZINC000595139196 507406198 /nfs/dbraw/zinc/40/61/98/507406198.db2.gz GSZGPVXERSRNKA-OTWHNJEPSA-N 2 1 367.541 3.193 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccsc1 ZINC000606638453 507463219 /nfs/dbraw/zinc/46/32/19/507463219.db2.gz JVCQADVAPZCVLT-SFHVURJKSA-N 2 1 364.559 3.011 20 0 FGADMP C[C@@H](NC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC[NH+](C)CC1 ZINC000606684807 507479906 /nfs/dbraw/zinc/47/99/06/507479906.db2.gz OKFOFKLBMVPMGH-XLIONFOSSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703614 507488611 /nfs/dbraw/zinc/48/86/11/507488611.db2.gz YBKAJQJVAHYSSQ-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779837 507499798 /nfs/dbraw/zinc/49/97/98/507499798.db2.gz QUPQXPRQDKVADM-VXKWHMMOSA-N 2 1 350.506 3.377 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584779837 507499804 /nfs/dbraw/zinc/49/98/04/507499804.db2.gz QUPQXPRQDKVADM-VXKWHMMOSA-N 2 1 350.506 3.377 20 0 FGADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)n2c1CCCC2 ZINC000598634094 507525869 /nfs/dbraw/zinc/52/58/69/507525869.db2.gz MICFHAUTDGUDNG-UHFFFAOYSA-N 2 1 359.514 3.108 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000530645026 517896406 /nfs/dbraw/zinc/89/64/06/517896406.db2.gz UYRVZMZVSQOCSG-FQEVSTJZSA-N 2 1 366.509 3.220 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH+]c1 ZINC000530645026 517896414 /nfs/dbraw/zinc/89/64/14/517896414.db2.gz UYRVZMZVSQOCSG-FQEVSTJZSA-N 2 1 366.509 3.220 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)[nH+]c1 ZINC000531011387 518100008 /nfs/dbraw/zinc/10/00/08/518100008.db2.gz RAWMSKXEPBIUOZ-FQEVSTJZSA-N 2 1 366.509 3.363 20 0 FGADMP Cc1ccc(NCCCNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH+]c1 ZINC000531011387 518100017 /nfs/dbraw/zinc/10/00/17/518100017.db2.gz RAWMSKXEPBIUOZ-FQEVSTJZSA-N 2 1 366.509 3.363 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669117732 568031995 /nfs/dbraw/zinc/03/19/95/568031995.db2.gz AQTWNPGQESJZNX-XLIONFOSSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669117846 568042757 /nfs/dbraw/zinc/04/27/57/568042757.db2.gz ULORBMAMQCJHLM-XLIONFOSSA-N 2 1 358.530 3.002 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843157 568186511 /nfs/dbraw/zinc/18/65/11/568186511.db2.gz WWSZHEBOFMLWOX-OAQYLSRUSA-N 2 1 350.466 3.361 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843157 568186512 /nfs/dbraw/zinc/18/65/12/568186512.db2.gz WWSZHEBOFMLWOX-OAQYLSRUSA-N 2 1 350.466 3.361 20 0 FGADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843157 568186513 /nfs/dbraw/zinc/18/65/13/568186513.db2.gz WWSZHEBOFMLWOX-OAQYLSRUSA-N 2 1 350.466 3.361 20 0 FGADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2cc3ccccc3o2)n1 ZINC000644843157 568186514 /nfs/dbraw/zinc/18/65/14/568186514.db2.gz WWSZHEBOFMLWOX-OAQYLSRUSA-N 2 1 350.466 3.361 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000821623125 599448007 /nfs/dbraw/zinc/44/80/07/599448007.db2.gz DFYVPFOBBRAPPZ-SJLPKXTDSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)[C@@H]1c1cccs1 ZINC000821623125 599448008 /nfs/dbraw/zinc/44/80/08/599448008.db2.gz DFYVPFOBBRAPPZ-SJLPKXTDSA-N 2 1 368.510 3.101 20 0 FGADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC2CCC([NH+]3CCC(C)CC3)CC2)[nH+]1 ZINC000826262749 607737497 /nfs/dbraw/zinc/73/74/97/607737497.db2.gz XDAFUPNDPYVTGE-UHFFFAOYSA-N 2 1 369.517 3.334 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824936544 608743365 /nfs/dbraw/zinc/74/33/65/608743365.db2.gz IYGKGWFZUFGNSR-OAHLLOKOSA-N 2 1 374.558 3.405 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824585489 609133158 /nfs/dbraw/zinc/13/31/58/609133158.db2.gz RIIUIGFJUBIGKQ-GJZGRUSLSA-N 2 1 360.481 3.311 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948691 609133300 /nfs/dbraw/zinc/13/33/00/609133300.db2.gz UYJGLIFVQCKIIZ-GJZGRUSLSA-N 2 1 360.481 3.169 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000093258950 700449519 /nfs/dbraw/zinc/44/95/19/700449519.db2.gz XGQXBYGRIFGFGI-JKSUJKDBSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000093258950 700449522 /nfs/dbraw/zinc/44/95/22/700449522.db2.gz XGQXBYGRIFGFGI-JKSUJKDBSA-N 2 1 350.507 3.301 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158130145 705173868 /nfs/dbraw/zinc/17/38/68/705173868.db2.gz POIGLDIGEUICBT-HZPDHXFCSA-N 2 1 351.922 3.169 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000158130145 705173873 /nfs/dbraw/zinc/17/38/73/705173873.db2.gz POIGLDIGEUICBT-HZPDHXFCSA-N 2 1 351.922 3.169 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000180441941 705739673 /nfs/dbraw/zinc/73/96/73/705739673.db2.gz DRAMCEJEVKDIDK-VYDXJSESSA-N 2 1 350.507 3.063 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180442270 705740503 /nfs/dbraw/zinc/74/05/03/705740503.db2.gz CHZAHJPXLXNMRN-OIISXLGYSA-N 2 1 350.507 3.111 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000180626490 705750718 /nfs/dbraw/zinc/75/07/18/705750718.db2.gz YOGUSUOGQRQUAQ-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000180626868 705750805 /nfs/dbraw/zinc/75/08/05/705750805.db2.gz JKXWGEJQEQKZIA-IRXDYDNUSA-N 2 1 350.507 3.255 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CCN1C ZINC000187119950 712733786 /nfs/dbraw/zinc/73/37/86/712733786.db2.gz JUWVUAZWNBFQOE-FFSVYQOJSA-N 2 1 359.283 3.036 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)CCN1C ZINC000187119950 712733790 /nfs/dbraw/zinc/73/37/90/712733790.db2.gz JUWVUAZWNBFQOE-FFSVYQOJSA-N 2 1 359.283 3.036 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000195163714 713547655 /nfs/dbraw/zinc/54/76/55/713547655.db2.gz PYFBDZOZBZPMDK-HXUWFJFHSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2Br)CC1 ZINC000234221263 713579907 /nfs/dbraw/zinc/57/99/07/713579907.db2.gz CHKAQBVCRZWHCF-UHFFFAOYSA-N 2 1 356.264 3.131 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248436316 713650095 /nfs/dbraw/zinc/65/00/95/713650095.db2.gz GEHJFWCBNPPORL-BBWFWOEESA-N 2 1 351.535 3.238 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000261832828 713714918 /nfs/dbraw/zinc/71/49/18/713714918.db2.gz XTZDNSJMKCTGOA-MRXNPFEDSA-N 2 1 356.297 3.396 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000261849063 713715197 /nfs/dbraw/zinc/71/51/97/713715197.db2.gz VFXRMATVYXLUAE-INIZCTEOSA-N 2 1 370.278 3.428 20 0 FGADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000294719227 713775408 /nfs/dbraw/zinc/77/54/08/713775408.db2.gz BRNPTRCDXHOOSF-OXQOHEQNSA-N 2 1 364.555 3.017 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000641802653 717931129 /nfs/dbraw/zinc/93/11/29/717931129.db2.gz AIHXFXDFYDMBDH-CKLFPEKLSA-N 2 1 363.811 3.401 20 0 FGADMP CC(C)(C)OC(=O)Nc1ncc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000374328282 713914006 /nfs/dbraw/zinc/91/40/06/713914006.db2.gz IAGUFTVSLBISKV-OLZOCXBDSA-N 2 1 352.504 3.207 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@](C)(CO)C3CCCCC3)sc2C1 ZINC000374612883 713934535 /nfs/dbraw/zinc/93/45/35/713934535.db2.gz NMLGADDSSCRTAY-LJQANCHMSA-N 2 1 351.560 3.331 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000385979338 713984111 /nfs/dbraw/zinc/98/41/11/713984111.db2.gz NWBRRJIRQYMPMU-FUHIMQAGSA-N 2 1 351.535 3.240 20 0 FGADMP C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CCC([NH3+])CC1 ZINC000387488286 713986364 /nfs/dbraw/zinc/98/63/64/713986364.db2.gz JFCWGLDAUNIHLK-UHFFFAOYSA-N 2 1 365.275 3.201 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1cccc(Cl)c1 ZINC000522052332 714167179 /nfs/dbraw/zinc/16/71/79/714167179.db2.gz RVQGPZCTEHQYTD-MRXNPFEDSA-N 2 1 351.922 3.368 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000522132826 714171719 /nfs/dbraw/zinc/17/17/19/714171719.db2.gz SRXWCFKYXMGQQZ-HUUCEWRRSA-N 2 1 367.563 3.227 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000523435567 714234484 /nfs/dbraw/zinc/23/44/84/714234484.db2.gz BGVQMYRKUALUCW-UHFFFAOYSA-N 2 1 352.567 3.158 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)c1ccccc1Cl ZINC000642650066 717986345 /nfs/dbraw/zinc/98/63/45/717986345.db2.gz WUFZEFJZYGHRLT-GOSISDBHSA-N 2 1 366.937 3.118 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003843 714620742 /nfs/dbraw/zinc/62/07/42/714620742.db2.gz GGABNXNTPDEOQH-YOEHRIQHSA-N 2 1 351.922 3.179 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000617003843 714620743 /nfs/dbraw/zinc/62/07/43/714620743.db2.gz GGABNXNTPDEOQH-YOEHRIQHSA-N 2 1 351.922 3.179 20 0 FGADMP Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506039 714663406 /nfs/dbraw/zinc/66/34/06/714663406.db2.gz YREHLVQBVKPEAF-AWEZNQCLSA-N 2 1 366.575 3.111 20 0 FGADMP Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506039 714663410 /nfs/dbraw/zinc/66/34/10/714663410.db2.gz YREHLVQBVKPEAF-AWEZNQCLSA-N 2 1 366.575 3.111 20 0 FGADMP C[N@@H+](Cc1ccc2nc(NC(=O)CCc3c[nH]cn3)sc2c1)C1CC1 ZINC000617865410 714697553 /nfs/dbraw/zinc/69/75/53/714697553.db2.gz FDXNJBWLUOQGKS-UHFFFAOYSA-N 2 1 355.467 3.185 20 0 FGADMP C[N@H+](Cc1ccc2nc(NC(=O)CCc3cnc[nH]3)sc2c1)C1CC1 ZINC000617865410 714697555 /nfs/dbraw/zinc/69/75/55/714697555.db2.gz FDXNJBWLUOQGKS-UHFFFAOYSA-N 2 1 355.467 3.185 20 0 FGADMP C[N@@H+](Cc1ccc2nc(NC(=O)CCc3cnc[nH]3)sc2c1)C1CC1 ZINC000617865410 714697557 /nfs/dbraw/zinc/69/75/57/714697557.db2.gz FDXNJBWLUOQGKS-UHFFFAOYSA-N 2 1 355.467 3.185 20 0 FGADMP C[NH2+]C1CCN(c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CC1 ZINC000643053437 718003042 /nfs/dbraw/zinc/00/30/42/718003042.db2.gz AUEVHRPRWXDFPJ-UHFFFAOYSA-N 2 1 359.543 3.092 20 0 FGADMP COc1cc(Br)c(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623405334 715328837 /nfs/dbraw/zinc/32/88/37/715328837.db2.gz BXVLTMLPAAMHBS-CYBMUJFWSA-N 2 1 371.319 3.429 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509574 715351242 /nfs/dbraw/zinc/35/12/42/715351242.db2.gz JEJFFZAHRFVRKL-JKSUJKDBSA-N 2 1 366.347 3.490 20 0 FGADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000623888438 715424891 /nfs/dbraw/zinc/42/48/91/715424891.db2.gz HFMAEKQBLJEYQA-INIZCTEOSA-N 2 1 368.363 3.436 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132018 724394177 /nfs/dbraw/zinc/39/41/77/724394177.db2.gz XCTANHWIWKUYQI-MSOLQXFVSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574706 715754010 /nfs/dbraw/zinc/75/40/10/715754010.db2.gz WINIRLPHQZUQDU-KXBFYZLASA-N 2 1 363.933 3.151 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574706 715754013 /nfs/dbraw/zinc/75/40/13/715754013.db2.gz WINIRLPHQZUQDU-KXBFYZLASA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccc(C(F)(F)F)c2)CC1 ZINC000628165139 716119117 /nfs/dbraw/zinc/11/91/17/716119117.db2.gz NTRLNPWJBSMSPE-OAHLLOKOSA-N 2 1 358.448 3.273 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(C(F)(F)F)c1 ZINC000628191005 716123112 /nfs/dbraw/zinc/12/31/12/716123112.db2.gz XFTQCDZQJKQZCK-FGTMMUONSA-N 2 1 356.432 3.431 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567216 716310023 /nfs/dbraw/zinc/31/00/23/716310023.db2.gz PGBPLOZGUPUQDY-VXGBXAGGSA-N 2 1 363.811 3.128 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629567216 716310029 /nfs/dbraw/zinc/31/00/29/716310029.db2.gz PGBPLOZGUPUQDY-VXGBXAGGSA-N 2 1 363.811 3.128 20 0 FGADMP O[C@@H](C[NH2+]CCOc1c(Cl)cc(Cl)cc1Cl)C[NH+]1CCCC1 ZINC000629566824 716310057 /nfs/dbraw/zinc/31/00/57/716310057.db2.gz IMSILDOGUUIDTP-LBPRGKRZSA-N 2 1 367.704 3.072 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581890 716311865 /nfs/dbraw/zinc/31/18/65/716311865.db2.gz JCERFUHWUOYLOA-KMFMINBZSA-N 2 1 365.315 3.148 20 0 FGADMP C[NH+](CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)C1CCC1 ZINC000630019114 716377838 /nfs/dbraw/zinc/37/78/38/716377838.db2.gz SFZFAHJUPNTVCJ-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP C[NH+](CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)C1CCC1 ZINC000630019114 716377844 /nfs/dbraw/zinc/37/78/44/716377844.db2.gz SFZFAHJUPNTVCJ-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP C[NH+](Cc1ccc2nc(NC(=O)C[N@H+](C)C3CCC3)sc2c1)C1CC1 ZINC000630019114 716377850 /nfs/dbraw/zinc/37/78/50/716377850.db2.gz SFZFAHJUPNTVCJ-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP C[NH+](Cc1ccc2nc(NC(=O)C[N@@H+](C)C3CCC3)sc2c1)C1CC1 ZINC000630019114 716377854 /nfs/dbraw/zinc/37/78/54/716377854.db2.gz SFZFAHJUPNTVCJ-UHFFFAOYSA-N 2 1 358.511 3.313 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(C(F)F)nc1 ZINC000631142314 716573366 /nfs/dbraw/zinc/57/33/66/716573366.db2.gz LPDWOCMXZGGAKV-UHFFFAOYSA-N 2 1 350.413 3.035 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914919 717209742 /nfs/dbraw/zinc/20/97/42/717209742.db2.gz QRXAYPQEOLHRKW-CRAIPNDOSA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914919 717209747 /nfs/dbraw/zinc/20/97/47/717209747.db2.gz QRXAYPQEOLHRKW-CRAIPNDOSA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914919 717209753 /nfs/dbraw/zinc/20/97/53/717209753.db2.gz QRXAYPQEOLHRKW-CRAIPNDOSA-N 2 1 351.922 3.181 20 0 FGADMP O=C(CCC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000638112635 717409644 /nfs/dbraw/zinc/40/96/44/717409644.db2.gz ZWRCVOWNLVONSJ-UHFFFAOYSA-N 2 1 370.324 3.074 20 0 FGADMP C[N@@H+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000801922286 724345800 /nfs/dbraw/zinc/34/58/00/724345800.db2.gz HKJSMQFHWXHTED-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000801922286 724345805 /nfs/dbraw/zinc/34/58/05/724345805.db2.gz HKJSMQFHWXHTED-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP C[NH+](CC[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000801922286 724345806 /nfs/dbraw/zinc/34/58/06/724345806.db2.gz HKJSMQFHWXHTED-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@@H]1c1cccs1 ZINC000638670534 717474745 /nfs/dbraw/zinc/47/47/45/717474745.db2.gz HXIAEGPTTBVSKQ-CZUORRHYSA-N 2 1 367.465 3.478 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@@H]1c1cccs1 ZINC000638670534 717474751 /nfs/dbraw/zinc/47/47/51/717474751.db2.gz HXIAEGPTTBVSKQ-CZUORRHYSA-N 2 1 367.465 3.478 20 0 FGADMP CC[NH+](CC)CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803907945 724481958 /nfs/dbraw/zinc/48/19/58/724481958.db2.gz ZWSNAMTYZWLIAE-QGZVFWFLSA-N 2 1 354.441 3.029 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000644584024 718128391 /nfs/dbraw/zinc/12/83/91/718128391.db2.gz KDSWICNCOHYVOR-KZNAEPCWSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC[C@H]1C(F)(F)F ZINC000644584024 718128393 /nfs/dbraw/zinc/12/83/93/718128393.db2.gz KDSWICNCOHYVOR-KZNAEPCWSA-N 2 1 358.448 3.438 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000644619338 718134421 /nfs/dbraw/zinc/13/44/21/718134421.db2.gz CZPOCBFPPYSQJZ-XMTFNYHQSA-N 2 1 356.432 3.190 20 0 FGADMP C[N@@H+](CCC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645839683 718245670 /nfs/dbraw/zinc/24/56/70/718245670.db2.gz XSLYWQBDBJCGRR-QHAWAJNXSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@@H]1CCC[N@H+](CCC[C@H]2CCOC2)CC1 ZINC000645839683 718245674 /nfs/dbraw/zinc/24/56/74/718245674.db2.gz XSLYWQBDBJCGRR-QHAWAJNXSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CCC[C@H]2CCOC2)CC1 ZINC000645839683 718245676 /nfs/dbraw/zinc/24/56/76/718245676.db2.gz XSLYWQBDBJCGRR-QHAWAJNXSA-N 2 1 352.563 3.406 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)[C@H](c2ccccc2)C1 ZINC000647248818 718342889 /nfs/dbraw/zinc/34/28/89/718342889.db2.gz ILFHEFBNNLJVLA-APWZRJJASA-N 2 1 354.885 3.423 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@H]1[NH3+] ZINC000647497697 718364085 /nfs/dbraw/zinc/36/40/85/718364085.db2.gz RQFFLCWODHMLSM-GDBMZVCRSA-N 2 1 352.404 3.450 20 0 FGADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000647498893 718364508 /nfs/dbraw/zinc/36/45/08/718364508.db2.gz STYHDHCBHGYELQ-RHSMWYFYSA-N 2 1 363.303 3.194 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)CC[C@H]1[NH3+] ZINC000647498893 718364511 /nfs/dbraw/zinc/36/45/11/718364511.db2.gz STYHDHCBHGYELQ-RHSMWYFYSA-N 2 1 363.303 3.194 20 0 FGADMP Cc1nn2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544025 718366455 /nfs/dbraw/zinc/36/64/55/718366455.db2.gz VPGSLNZGUCOHGR-CVEARBPZSA-N 2 1 361.559 3.434 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000647903618 718385649 /nfs/dbraw/zinc/38/56/49/718385649.db2.gz NCVMDPRIEMUQDU-RDJZCZTQSA-N 2 1 360.889 3.397 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975278 718391038 /nfs/dbraw/zinc/39/10/38/718391038.db2.gz UNVXOSCAAWXEFU-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975278 718391039 /nfs/dbraw/zinc/39/10/39/718391039.db2.gz UNVXOSCAAWXEFU-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1Cl)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976248 718391225 /nfs/dbraw/zinc/39/12/25/718391225.db2.gz MBKBMYPIQZJHOE-SOLBZPMBSA-N 2 1 363.933 3.056 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307306 718502690 /nfs/dbraw/zinc/50/26/90/718502690.db2.gz GDZHZXQXESZGMF-ZMYBRWDISA-N 2 1 357.885 3.292 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649307306 718502694 /nfs/dbraw/zinc/50/26/94/718502694.db2.gz GDZHZXQXESZGMF-ZMYBRWDISA-N 2 1 357.885 3.292 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707379 718717792 /nfs/dbraw/zinc/71/77/92/718717792.db2.gz DVZLFYOCROEYFY-CKEIUWERSA-N 2 1 358.404 3.145 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@H]1C)C1CCCCC1 ZINC000651220058 718784358 /nfs/dbraw/zinc/78/43/58/718784358.db2.gz QXDLJMSQWGPWSE-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C)C1CCCCC1 ZINC000651220058 718784361 /nfs/dbraw/zinc/78/43/61/718784361.db2.gz QXDLJMSQWGPWSE-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)C1CCCCC1 ZINC000651220058 718784364 /nfs/dbraw/zinc/78/43/64/718784364.db2.gz QXDLJMSQWGPWSE-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000652350831 718935408 /nfs/dbraw/zinc/93/54/08/718935408.db2.gz MKQQWTQGTNYSDO-LXIYXOSZSA-N 2 1 370.324 3.231 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)cc1Cl ZINC000652350831 718935409 /nfs/dbraw/zinc/93/54/09/718935409.db2.gz MKQQWTQGTNYSDO-LXIYXOSZSA-N 2 1 370.324 3.231 20 0 FGADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1cc(F)cc(Br)c1)C2 ZINC000652352370 718935782 /nfs/dbraw/zinc/93/57/82/718935782.db2.gz MDANPZXTIATSDS-LRDDRELGSA-N 2 1 357.267 3.028 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618356 719051369 /nfs/dbraw/zinc/05/13/69/719051369.db2.gz ATUUHSNRDLNPIM-WOJBJXKFSA-N 2 1 365.525 3.342 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC001164618356 719051377 /nfs/dbraw/zinc/05/13/77/719051377.db2.gz ATUUHSNRDLNPIM-WOJBJXKFSA-N 2 1 365.525 3.342 20 0 FGADMP C[NH+](C)Cc1ccnc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623345 719104579 /nfs/dbraw/zinc/10/45/79/719104579.db2.gz CNFQIXFCXCZVFK-LEWJYISDSA-N 2 1 350.510 3.244 20 0 FGADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Cc1nc2c(s1)CCCC2 ZINC000655708643 719328220 /nfs/dbraw/zinc/32/82/20/719328220.db2.gz RNCXYOKZEGLXNR-QGZVFWFLSA-N 2 1 363.571 3.188 20 0 FGADMP Clc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1 ZINC000655721922 719329651 /nfs/dbraw/zinc/32/96/51/719329651.db2.gz TYAFLLNKYMVZQH-AZUAARDMSA-N 2 1 363.933 3.152 20 0 FGADMP CC[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1cccc(F)c1 ZINC000655721311 719329810 /nfs/dbraw/zinc/32/98/10/719329810.db2.gz MXEAQQNHTIKNGN-ICSRJNTNSA-N 2 1 350.478 3.216 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697545 719444422 /nfs/dbraw/zinc/44/44/22/719444422.db2.gz JJSDQEHMXQKTFB-IAGOWNOFSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697545 719444425 /nfs/dbraw/zinc/44/44/25/719444425.db2.gz JJSDQEHMXQKTFB-IAGOWNOFSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697545 719444427 /nfs/dbraw/zinc/44/44/27/719444427.db2.gz JJSDQEHMXQKTFB-IAGOWNOFSA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](COc2ccccc2Cl)C1 ZINC000656697545 719444428 /nfs/dbraw/zinc/44/44/28/719444428.db2.gz JJSDQEHMXQKTFB-IAGOWNOFSA-N 2 1 354.922 3.132 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C)(NC(=O)OC(C)(C)C)CC1 ZINC000781982560 724617409 /nfs/dbraw/zinc/61/74/09/724617409.db2.gz WOEXCMJZXCHGDJ-UHFFFAOYSA-N 2 1 350.507 3.351 20 0 FGADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000657875922 719724397 /nfs/dbraw/zinc/72/43/97/719724397.db2.gz JLGBEVJBZCNSKH-SFHVURJKSA-N 2 1 365.949 3.193 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230272 719771940 /nfs/dbraw/zinc/77/19/40/719771940.db2.gz XKHLGPVAFVYZJU-SBHAEUEKSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230272 719771944 /nfs/dbraw/zinc/77/19/44/719771944.db2.gz XKHLGPVAFVYZJU-SBHAEUEKSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H](C)C1 ZINC000658230272 719771951 /nfs/dbraw/zinc/77/19/51/719771951.db2.gz XKHLGPVAFVYZJU-SBHAEUEKSA-N 2 1 351.579 3.120 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979904 719967313 /nfs/dbraw/zinc/96/73/13/719967313.db2.gz YUJONOCLRYQJQX-QFBILLFUSA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979904 719967315 /nfs/dbraw/zinc/96/73/15/719967315.db2.gz YUJONOCLRYQJQX-QFBILLFUSA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979904 719967316 /nfs/dbraw/zinc/96/73/16/719967316.db2.gz YUJONOCLRYQJQX-QFBILLFUSA-N 2 1 359.539 3.153 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3nsc4ccccc43)CC2)CC1 ZINC000660150353 719997554 /nfs/dbraw/zinc/99/75/54/719997554.db2.gz IWUOCMMBNHEWGK-UHFFFAOYSA-N 2 1 358.555 3.287 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656129 720092917 /nfs/dbraw/zinc/09/29/17/720092917.db2.gz PZLIBCIZSPSSPY-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656129 720092921 /nfs/dbraw/zinc/09/29/21/720092921.db2.gz PZLIBCIZSPSSPY-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656129 720092927 /nfs/dbraw/zinc/09/29/27/720092927.db2.gz PZLIBCIZSPSSPY-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C2 ZINC000660656129 720092931 /nfs/dbraw/zinc/09/29/31/720092931.db2.gz PZLIBCIZSPSSPY-QAPCUYQASA-N 2 1 373.324 3.151 20 0 FGADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000660691867 720101516 /nfs/dbraw/zinc/10/15/16/720101516.db2.gz GQASACKZMQNFHG-UHFFFAOYSA-N 2 1 354.922 3.181 20 0 FGADMP Brc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662281736 720409598 /nfs/dbraw/zinc/40/95/98/720409598.db2.gz ZTQRLDIOLPALAA-NWDGAFQWSA-N 2 1 357.317 3.169 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Cl ZINC000662297893 720411897 /nfs/dbraw/zinc/41/18/97/720411897.db2.gz SSOYQDALPAZTEF-WBVHZDCISA-N 2 1 363.933 3.229 20 0 FGADMP C[NH2+][C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1cccc(Cl)c1Cl ZINC000662355948 720418195 /nfs/dbraw/zinc/41/81/95/720418195.db2.gz IOLAFTDGWRPFDU-INIZCTEOSA-N 2 1 358.313 3.243 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000662393333 720424405 /nfs/dbraw/zinc/42/44/05/720424405.db2.gz QHCMFGFUWUDRLC-MLGOLLRUSA-N 2 1 358.313 3.102 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662534985 720439095 /nfs/dbraw/zinc/43/90/95/720439095.db2.gz OXKWTKJBXXRXIG-INIZCTEOSA-N 2 1 370.335 3.029 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)c1cccc2c1CC[NH2+]C2)c1ccccc1Cl ZINC000662663873 720451102 /nfs/dbraw/zinc/45/11/02/720451102.db2.gz LTTMLZQFHOIKRY-LJQANCHMSA-N 2 1 357.885 3.018 20 0 FGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc4[nH]ccc4c[nH+]3)CC[C@@H]21 ZINC001164834895 720515990 /nfs/dbraw/zinc/51/59/90/720515990.db2.gz HXCMWUJKWLKKBC-BJLQDIEVSA-N 2 1 364.497 3.137 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000663455094 720516594 /nfs/dbraw/zinc/51/65/94/720516594.db2.gz FJNLEWLYMPTHNR-QAPCUYQASA-N 2 1 366.937 3.068 20 0 FGADMP CCN(C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000663455094 720516595 /nfs/dbraw/zinc/51/65/95/720516595.db2.gz FJNLEWLYMPTHNR-QAPCUYQASA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c([nH+]3)CCC4)CC[C@@H]21 ZINC001164833594 720530172 /nfs/dbraw/zinc/53/01/72/720530172.db2.gz ANQJXBQBHISILI-ZJOUEHCJSA-N 2 1 365.525 3.145 20 0 FGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc4c([nH+]3)CCC4)CC[C@@H]21 ZINC001164833594 720530183 /nfs/dbraw/zinc/53/01/83/720530183.db2.gz ANQJXBQBHISILI-ZJOUEHCJSA-N 2 1 365.525 3.145 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357534 720758955 /nfs/dbraw/zinc/75/89/55/720758955.db2.gz OZOMCEFURXGWGQ-IAGOWNOFSA-N 2 1 366.937 3.115 20 0 FGADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@H+]3C2)c1 ZINC001164898114 721516231 /nfs/dbraw/zinc/51/62/31/721516231.db2.gz HTXNBLIDXJTBHV-SJLPKXTDSA-N 2 1 352.413 3.044 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Br ZINC000673629938 721668564 /nfs/dbraw/zinc/66/85/64/721668564.db2.gz XZQQRZMWFBVYJA-QGZVFWFLSA-N 2 1 367.331 3.491 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241506 721875678 /nfs/dbraw/zinc/87/56/78/721875678.db2.gz PONXFCIGPOEUKY-MJGOQNOKSA-N 2 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241506 721875681 /nfs/dbraw/zinc/87/56/81/721875681.db2.gz PONXFCIGPOEUKY-MJGOQNOKSA-N 3 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cs1 ZINC000677241506 721875685 /nfs/dbraw/zinc/87/56/85/721875685.db2.gz PONXFCIGPOEUKY-MJGOQNOKSA-N 3 1 362.587 3.134 20 0 FGADMP FC(F)Oc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000677242017 721876243 /nfs/dbraw/zinc/87/62/43/721876243.db2.gz WFGBJSPQODZEJD-HRCADAONSA-N 2 1 351.441 3.083 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000678806702 721979962 /nfs/dbraw/zinc/97/99/62/721979962.db2.gz QBRUJFKYJSQLII-MAUKXSAKSA-N 2 1 368.518 3.288 20 0 FGADMP Cc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)c(C[NH3+])c1 ZINC001164994912 722205893 /nfs/dbraw/zinc/20/58/93/722205893.db2.gz JSFSWGOEWFYSJL-OAQYLSRUSA-N 2 1 354.473 3.233 20 0 FGADMP CC(C)(C)OC(=O)N1CCC(CC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000702610352 722410657 /nfs/dbraw/zinc/41/06/57/722410657.db2.gz HUUHYUDNAIENJM-ZWKOTPCHSA-N 2 1 351.535 3.240 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727465737 722444846 /nfs/dbraw/zinc/44/48/46/722444846.db2.gz JEQCXSIYFAQUCY-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000741608694 722547630 /nfs/dbraw/zinc/54/76/30/722547630.db2.gz YJQRGZSSXLVQJV-VQIMIIECSA-N 2 1 360.527 3.233 20 0 FGADMP Cc1[nH+]ccn1CCCC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000741608694 722547631 /nfs/dbraw/zinc/54/76/31/722547631.db2.gz YJQRGZSSXLVQJV-VQIMIIECSA-N 2 1 360.527 3.233 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Cl)s1 ZINC000750734335 722779386 /nfs/dbraw/zinc/77/93/86/722779386.db2.gz DFILWRDOJJHKHP-HQPKTYMTSA-N 2 1 369.962 3.289 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000750734338 722779416 /nfs/dbraw/zinc/77/94/16/722779416.db2.gz DFILWRDOJJHKHP-WWRUEGTHSA-N 2 1 369.962 3.289 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC000755048672 722949691 /nfs/dbraw/zinc/94/96/91/722949691.db2.gz OZBXRWMTOKSTIO-UHFFFAOYSA-N 2 1 353.551 3.441 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848064 723024473 /nfs/dbraw/zinc/02/44/73/723024473.db2.gz KDLYJTMCAOSWTA-MDASCCDHSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848064 723024475 /nfs/dbraw/zinc/02/44/75/723024475.db2.gz KDLYJTMCAOSWTA-MDASCCDHSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848064 723024476 /nfs/dbraw/zinc/02/44/76/723024476.db2.gz KDLYJTMCAOSWTA-MDASCCDHSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848064 723024478 /nfs/dbraw/zinc/02/44/78/723024478.db2.gz KDLYJTMCAOSWTA-MDASCCDHSA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848063 723024519 /nfs/dbraw/zinc/02/45/19/723024519.db2.gz KDLYJTMCAOSWTA-GDIGMMSISA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848063 723024520 /nfs/dbraw/zinc/02/45/20/723024520.db2.gz KDLYJTMCAOSWTA-GDIGMMSISA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848063 723024523 /nfs/dbraw/zinc/02/45/23/723024523.db2.gz KDLYJTMCAOSWTA-GDIGMMSISA-N 2 1 352.881 3.461 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Cl)c(F)c1 ZINC000759848063 723024525 /nfs/dbraw/zinc/02/45/25/723024525.db2.gz KDLYJTMCAOSWTA-GDIGMMSISA-N 2 1 352.881 3.461 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CN2C[C@H](C(F)F)CC2=O)CC1)CC(C)C ZINC000795447398 723592172 /nfs/dbraw/zinc/59/21/72/723592172.db2.gz YDLDWWTVLSJJKU-QGZVFWFLSA-N 2 1 359.505 3.138 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CN2C[C@H](C(F)F)CC2=O)CC1)CC(C)C ZINC000795447398 723592175 /nfs/dbraw/zinc/59/21/75/723592175.db2.gz YDLDWWTVLSJJKU-QGZVFWFLSA-N 2 1 359.505 3.138 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000796274777 723629622 /nfs/dbraw/zinc/62/96/22/723629622.db2.gz AECARAWQMGHBPP-LXPRWKDFSA-N 2 1 353.551 3.391 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC000796547494 723642927 /nfs/dbraw/zinc/64/29/27/723642927.db2.gz SSYALEMRECXXKV-OALUTQOASA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)CC1 ZINC000796547494 723642929 /nfs/dbraw/zinc/64/29/29/723642929.db2.gz SSYALEMRECXXKV-OALUTQOASA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000796547494 723642931 /nfs/dbraw/zinc/64/29/31/723642931.db2.gz SSYALEMRECXXKV-OALUTQOASA-N 2 1 351.535 3.194 20 0 FGADMP CC1CCN(C(=O)OC[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000796547494 723642933 /nfs/dbraw/zinc/64/29/33/723642933.db2.gz SSYALEMRECXXKV-OALUTQOASA-N 2 1 351.535 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000799178166 723995461 /nfs/dbraw/zinc/99/54/61/723995461.db2.gz OPKQCOIRBHGGAP-KRWDZBQOSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359018 724017177 /nfs/dbraw/zinc/01/71/77/724017177.db2.gz SFFSHGRWLWVWPH-KRWDZBQOSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359018 724017182 /nfs/dbraw/zinc/01/71/82/724017182.db2.gz SFFSHGRWLWVWPH-KRWDZBQOSA-N 2 1 350.507 3.208 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009058 724353069 /nfs/dbraw/zinc/35/30/69/724353069.db2.gz LNKHOPJPEHDSJH-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009058 724353073 /nfs/dbraw/zinc/35/30/73/724353073.db2.gz LNKHOPJPEHDSJH-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802009058 724353077 /nfs/dbraw/zinc/35/30/77/724353077.db2.gz LNKHOPJPEHDSJH-XLIONFOSSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510062 724859779 /nfs/dbraw/zinc/85/97/79/724859779.db2.gz JIFAVBLTEUCOLC-MHORFTMASA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510062 724859784 /nfs/dbraw/zinc/85/97/84/724859784.db2.gz JIFAVBLTEUCOLC-MHORFTMASA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC000784510062 724859792 /nfs/dbraw/zinc/85/97/92/724859792.db2.gz JIFAVBLTEUCOLC-MHORFTMASA-N 2 1 351.535 3.096 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000787034968 725014323 /nfs/dbraw/zinc/01/43/23/725014323.db2.gz MIBDGBAFHFGYHS-JVPBZIDWSA-N 2 1 372.912 3.239 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4nc(Cl)ccc43)CC2)nc(C)[nH+]1 ZINC000806141745 725117828 /nfs/dbraw/zinc/11/78/28/725117828.db2.gz LWNYORHDPNRGKT-INIZCTEOSA-N 2 1 357.889 3.388 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC000810486001 725310355 /nfs/dbraw/zinc/31/03/55/725310355.db2.gz HAVXWFCDUWOQGQ-HXUWFJFHSA-N 2 1 355.542 3.073 20 0 FGADMP CC(C)C[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)NC(=O)OC(C)(C)C ZINC000811506048 725370488 /nfs/dbraw/zinc/37/04/88/725370488.db2.gz MLAMOQWBOGNNHY-XNHLSEOASA-N 2 1 353.551 3.483 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)NC(=O)OC(C)(C)C ZINC000811506048 725370490 /nfs/dbraw/zinc/37/04/90/725370490.db2.gz MLAMOQWBOGNNHY-XNHLSEOASA-N 2 1 353.551 3.483 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC000811506048 725370493 /nfs/dbraw/zinc/37/04/93/725370493.db2.gz MLAMOQWBOGNNHY-XNHLSEOASA-N 2 1 353.551 3.483 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505151 725370507 /nfs/dbraw/zinc/37/05/07/725370507.db2.gz GVLJOQLCTKBMLR-VQIMIIECSA-N 2 1 369.912 3.271 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]C2)c1cc(Br)ncc1F ZINC000817968511 727289793 /nfs/dbraw/zinc/28/97/93/727289793.db2.gz KTFOBJDSVGCBQI-JTQLQIEISA-N 2 1 350.235 3.437 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984624 727334527 /nfs/dbraw/zinc/33/45/27/727334527.db2.gz JLZKGGSAJAKHNX-CXAGYDPISA-N 2 1 373.310 3.332 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000823596822 729291299 /nfs/dbraw/zinc/29/12/99/729291299.db2.gz WEUBEHDAUSLGQO-MBOZVWFJSA-N 2 1 351.535 3.098 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383042 729334935 /nfs/dbraw/zinc/33/49/35/729334935.db2.gz JFBXWUNDEMNZHH-FGTMMUONSA-N 2 1 353.551 3.484 20 0 FGADMP O[C@H](C[C@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919916 729365001 /nfs/dbraw/zinc/36/50/01/729365001.db2.gz ARJUZEPKUKXVBN-SJLPKXTDSA-N 2 1 354.479 3.417 20 0 FGADMP O[C@H](C[C@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919916 729365003 /nfs/dbraw/zinc/36/50/03/729365003.db2.gz ARJUZEPKUKXVBN-SJLPKXTDSA-N 2 1 354.479 3.417 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000825342506 729379603 /nfs/dbraw/zinc/37/96/03/729379603.db2.gz DGCXEORNDXQBQB-INIZCTEOSA-N 2 1 355.320 3.335 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832702632 729727951 /nfs/dbraw/zinc/72/79/51/729727951.db2.gz BYSKDPBAWAIAAN-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)C(C)(C)C1 ZINC000832702632 729727953 /nfs/dbraw/zinc/72/79/53/729727953.db2.gz BYSKDPBAWAIAAN-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(SC(F)(F)F)cc3)C2)nn1 ZINC000841100435 730211374 /nfs/dbraw/zinc/21/13/74/730211374.db2.gz YGLKKIXDLWFMAS-AWEZNQCLSA-N 2 1 371.432 3.186 20 0 FGADMP Cc1cc(Br)cn2c(C[N@H+](C)C3CCC([NH3+])CC3)cnc12 ZINC000843054865 730574743 /nfs/dbraw/zinc/57/47/43/730574743.db2.gz LIIQFTZFYZYDKI-UHFFFAOYSA-N 2 1 351.292 3.107 20 0 FGADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c(Cl)nc21 ZINC000843125726 730588982 /nfs/dbraw/zinc/58/89/82/730588982.db2.gz GIHVWAFHIOGIBK-HUUCEWRRSA-N 2 1 361.921 3.487 20 0 FGADMP C[N@@H+](Cc1cc2c(cc1Br)OCCCO2)C1CCC([NH3+])CC1 ZINC000843355334 730609961 /nfs/dbraw/zinc/60/99/61/730609961.db2.gz RXFSBQFKXBTDGR-UHFFFAOYSA-N 2 1 369.303 3.312 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401670 730712911 /nfs/dbraw/zinc/71/29/11/730712911.db2.gz NZAOIMCWPMQZTE-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401670 730712915 /nfs/dbraw/zinc/71/29/15/730712915.db2.gz NZAOIMCWPMQZTE-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401670 730712918 /nfs/dbraw/zinc/71/29/18/730712918.db2.gz NZAOIMCWPMQZTE-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000844443563 730719971 /nfs/dbraw/zinc/71/99/71/730719971.db2.gz ZLCASDFSKCMRAW-UHFFFAOYSA-N 2 1 350.507 3.208 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2cccc(OC(F)(F)F)c2)C1 ZINC000849083761 731227253 /nfs/dbraw/zinc/22/72/53/731227253.db2.gz HRZHLUURMBSRIW-ZDUSSCGKSA-N 2 1 358.408 3.499 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111726 731230281 /nfs/dbraw/zinc/23/02/81/731230281.db2.gz BZIXVLFPMLFUDK-HOCLYGCPSA-N 2 1 354.420 3.318 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850433813 731356934 /nfs/dbraw/zinc/35/69/34/731356934.db2.gz QUXBFCWKHOFMIG-KZNAEPCWSA-N 2 1 356.432 3.479 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850433813 731356937 /nfs/dbraw/zinc/35/69/37/731356937.db2.gz QUXBFCWKHOFMIG-KZNAEPCWSA-N 2 1 356.432 3.479 20 0 FGADMP C[C@@H]([NH2+]C[C@]12OCCC[C@H]1C2(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000850535180 731370517 /nfs/dbraw/zinc/37/05/17/731370517.db2.gz VMQKPVASWVHYQT-OWYHZJEWSA-N 2 1 350.453 3.301 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC=C(Cl)Cl)CC1 ZINC000851864458 731511785 /nfs/dbraw/zinc/51/17/85/731511785.db2.gz ZARYKRXPPWGDOP-UHFFFAOYSA-N 2 1 362.345 3.010 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853505908 731714638 /nfs/dbraw/zinc/71/46/38/731714638.db2.gz SIODLNPKNXEWKJ-UHFFFAOYSA-N 2 1 368.953 3.442 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cn2ncc(Cl)c2C2CC2)CC1 ZINC000853505908 731714643 /nfs/dbraw/zinc/71/46/43/731714643.db2.gz SIODLNPKNXEWKJ-UHFFFAOYSA-N 2 1 368.953 3.442 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC000856776370 732058778 /nfs/dbraw/zinc/05/87/78/732058778.db2.gz QOSDKHJUUZITLT-YTQUADARSA-N 2 1 358.917 3.464 20 0 FGADMP Cn1cc(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(Cl)n1 ZINC000856776370 732058783 /nfs/dbraw/zinc/05/87/83/732058783.db2.gz QOSDKHJUUZITLT-YTQUADARSA-N 2 1 358.917 3.464 20 0 FGADMP Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C[NH2+]CCc1c[nH+]cn1C ZINC000857782994 732160486 /nfs/dbraw/zinc/16/04/86/732160486.db2.gz OFIBHPUFSNGJBF-UHFFFAOYSA-N 2 1 361.852 3.098 20 0 FGADMP CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491475 732220191 /nfs/dbraw/zinc/22/01/91/732220191.db2.gz IRQHZLOKVRSARK-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@]1(O)CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000859285577 732304413 /nfs/dbraw/zinc/30/44/13/732304413.db2.gz ZICQIINDKTUZGU-WOJBJXKFSA-N 2 1 370.654 3.169 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Br)cc1F ZINC000862242091 732795995 /nfs/dbraw/zinc/79/59/95/732795995.db2.gz VXGMFIRDMGJLPC-UHFFFAOYSA-N 2 1 373.310 3.439 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000866549364 733364656 /nfs/dbraw/zinc/36/46/56/733364656.db2.gz MBFLNOAIBGVGJB-DFBDCSAJSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@@H]2CCC[C@H]21 ZINC000866559394 733365770 /nfs/dbraw/zinc/36/57/70/733365770.db2.gz HCVFLVCJDYKTSU-KCQAQPDRSA-N 2 1 356.436 3.201 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@@H]2CCC[C@H]21 ZINC000866559394 733365776 /nfs/dbraw/zinc/36/57/76/733365776.db2.gz HCVFLVCJDYKTSU-KCQAQPDRSA-N 2 1 356.436 3.201 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@H]2CCC[C@@H]21 ZINC000866559393 733365879 /nfs/dbraw/zinc/36/58/79/733365879.db2.gz HCVFLVCJDYKTSU-IPYPFGDCSA-N 2 1 356.436 3.201 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nc(C(F)(F)F)n3c2CCCC3)[C@H]2CCC[C@@H]21 ZINC000866559393 733365881 /nfs/dbraw/zinc/36/58/81/733365881.db2.gz HCVFLVCJDYKTSU-IPYPFGDCSA-N 2 1 356.436 3.201 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000872149516 735595850 /nfs/dbraw/zinc/59/58/50/735595850.db2.gz NWSBXSHYGJTVNL-CMPLNLGQSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)C[C@H]1C(F)(F)F ZINC000872149516 735595851 /nfs/dbraw/zinc/59/58/51/735595851.db2.gz NWSBXSHYGJTVNL-CMPLNLGQSA-N 2 1 356.310 3.153 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156177 735596955 /nfs/dbraw/zinc/59/69/55/735596955.db2.gz FZOSWHOZPLNSIL-FXAWDEMLSA-N 2 1 364.555 3.210 20 0 FGADMP CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc1 ZINC000872156177 735596960 /nfs/dbraw/zinc/59/69/60/735596960.db2.gz FZOSWHOZPLNSIL-FXAWDEMLSA-N 2 1 364.555 3.210 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1c2c(sc1=O)CCCC2 ZINC000872744137 735670247 /nfs/dbraw/zinc/67/02/47/735670247.db2.gz PKIJRNSGEHHDIH-UHFFFAOYSA-N 2 1 351.560 3.046 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](Cc3cnc(-c4ccccc4)s3)CC2)CC1 ZINC000877747440 736713092 /nfs/dbraw/zinc/71/30/92/736713092.db2.gz LIXJERWRAFTKLH-UHFFFAOYSA-N 2 1 356.539 3.022 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000877976911 736751489 /nfs/dbraw/zinc/75/14/89/736751489.db2.gz RPWCLCWCNVYYQY-FQEVSTJZSA-N 2 1 352.563 3.406 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)CC1 ZINC000878018395 736758670 /nfs/dbraw/zinc/75/86/70/736758670.db2.gz VTKNJJMWHWEAMZ-UXHICEINSA-N 2 1 350.547 3.016 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H](C[NH+]2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000879201474 736967967 /nfs/dbraw/zinc/96/79/67/736967967.db2.gz KCQBKQUMDSEPFT-KRWDZBQOSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616863 737016699 /nfs/dbraw/zinc/01/66/99/737016699.db2.gz XYCJFYPRIIOHAU-MRXNPFEDSA-N 2 1 365.587 3.294 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2nc(C(C)(C)C)cs2)CC1 ZINC000879616863 737016705 /nfs/dbraw/zinc/01/67/05/737016705.db2.gz XYCJFYPRIIOHAU-MRXNPFEDSA-N 2 1 365.587 3.294 20 0 FGADMP CC(C)C[N@H+](CC(=O)Nc1c(F)cccc1F)CC1CC[NH+](C)CC1 ZINC000879704283 737035155 /nfs/dbraw/zinc/03/51/55/737035155.db2.gz NJPJNMVYKCFUPS-UHFFFAOYSA-N 2 1 353.457 3.203 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)c1 ZINC000884190374 737641945 /nfs/dbraw/zinc/64/19/45/737641945.db2.gz CLLHGGHHOXMNQN-INIZCTEOSA-N 2 1 351.372 3.406 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)s1 ZINC000892696851 740033865 /nfs/dbraw/zinc/03/38/65/740033865.db2.gz NTJQDFVKPJPYOH-UHFFFAOYSA-N 2 1 361.511 3.450 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)s1 ZINC000892696851 740033875 /nfs/dbraw/zinc/03/38/75/740033875.db2.gz NTJQDFVKPJPYOH-UHFFFAOYSA-N 2 1 361.511 3.450 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893966481 742220402 /nfs/dbraw/zinc/22/04/02/742220402.db2.gz BKXSVKZSRFJXMC-AWEZNQCLSA-N 2 1 363.493 3.341 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000893966481 742220404 /nfs/dbraw/zinc/22/04/04/742220404.db2.gz BKXSVKZSRFJXMC-AWEZNQCLSA-N 2 1 363.493 3.341 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1OCC(F)F ZINC000894096841 742238669 /nfs/dbraw/zinc/23/86/69/742238669.db2.gz YMBYLGMQWGVBJT-JFIYKMOQSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccccc1OCC(F)F ZINC000894096841 742238674 /nfs/dbraw/zinc/23/86/74/742238674.db2.gz YMBYLGMQWGVBJT-JFIYKMOQSA-N 2 1 354.441 3.014 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)s1 ZINC000896931113 742617353 /nfs/dbraw/zinc/61/73/53/742617353.db2.gz DPJPPLGMPUYCOG-ZBFHGGJFSA-N 2 1 365.543 3.105 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH+]2CCC([NH2+]C3CCC3)CC2)CCC1 ZINC000897980828 742730185 /nfs/dbraw/zinc/73/01/85/742730185.db2.gz FAFHYZPLBWQFJW-UHFFFAOYSA-N 2 1 351.535 3.288 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3Br)CC2)C1 ZINC000903459056 743853114 /nfs/dbraw/zinc/85/31/14/743853114.db2.gz AERZCHJOESBVAP-GOEBONIOSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc(F)c3Br)CC2)C1 ZINC000903459058 743853140 /nfs/dbraw/zinc/85/31/40/743853140.db2.gz AERZCHJOESBVAP-ZBFHGGJFSA-N 2 1 371.294 3.307 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)c1 ZINC000903499783 743856292 /nfs/dbraw/zinc/85/62/92/743856292.db2.gz NSJFMTZPWZRESW-CZUORRHYSA-N 2 1 359.495 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2nc(-c3cccc(C(F)(F)F)c3)no2)C[C@H]1CC[NH3+] ZINC000903496697 743856538 /nfs/dbraw/zinc/85/65/38/743856538.db2.gz ZBBAQAITTFCACZ-DGCLKSJQSA-N 2 1 354.376 3.172 20 0 FGADMP Cc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Br ZINC000903765133 743881669 /nfs/dbraw/zinc/88/16/69/743881669.db2.gz YPVWKDFUVIROFO-UAGQMJEPSA-N 2 1 367.331 3.476 20 0 FGADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474208 743957058 /nfs/dbraw/zinc/95/70/58/743957058.db2.gz KDZIEMHFMFRWIC-SJCJKPOMSA-N 2 1 367.280 3.072 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000918122721 758305354 /nfs/dbraw/zinc/30/53/54/758305354.db2.gz VLGLFDXIZFVFQM-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCC1 ZINC000918122718 758305829 /nfs/dbraw/zinc/30/58/29/758305829.db2.gz VLGLFDXIZFVFQM-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000921685718 758770693 /nfs/dbraw/zinc/77/06/93/758770693.db2.gz KVZSUXGYUXCOHE-PVAVHDDUSA-N 2 1 350.507 3.111 20 0 FGADMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385732 758909364 /nfs/dbraw/zinc/90/93/64/758909364.db2.gz CSQDXXPPOKCDOH-NNFUDEMPSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385732 758909368 /nfs/dbraw/zinc/90/93/68/758909368.db2.gz CSQDXXPPOKCDOH-NNFUDEMPSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387782 758910690 /nfs/dbraw/zinc/91/06/90/758910690.db2.gz AZHWGYVNEZNSNR-VDERGJSUSA-N 2 1 362.461 3.336 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3nc(C(C)(C)C)cs3)C2)[C@H]1C(C)C ZINC000922391830 758911738 /nfs/dbraw/zinc/91/17/38/758911738.db2.gz ACUAGDYWBZRLIF-CWLMSFPYSA-N 2 1 365.587 3.400 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389120 759109160 /nfs/dbraw/zinc/10/91/60/759109160.db2.gz TULQCVQQAPDDND-FOZNTRSISA-N 2 1 373.324 3.245 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H](O)c2ccc(Cl)cc2Cl)C1 ZINC000923391396 759110046 /nfs/dbraw/zinc/11/00/46/759110046.db2.gz FEMXULDOYJNZIR-PILAGYSTSA-N 2 1 373.324 3.388 20 0 FGADMP Cn1ccc(-c2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]CC4)CC3)cs2)n1 ZINC000923508346 759135262 /nfs/dbraw/zinc/13/52/62/759135262.db2.gz USFCKOZYNVLVNE-OAHLLOKOSA-N 2 1 359.543 3.145 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1csc2ccccc21 ZINC000925017925 759431626 /nfs/dbraw/zinc/43/16/26/759431626.db2.gz AHKCKMOPUMJNHM-OAHLLOKOSA-N 2 1 359.539 3.495 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(Br)n1 ZINC000925440379 759488790 /nfs/dbraw/zinc/48/87/90/759488790.db2.gz RDYABJFKOZIJSM-ZNMIVQPWSA-N 2 1 370.335 3.384 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000925792841 759541117 /nfs/dbraw/zinc/54/11/17/759541117.db2.gz QJKCVZCRRLZZTK-ZBFHGGJFSA-N 2 1 356.432 3.385 20 0 FGADMP Cc1cc(C(F)(F)F)nn1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000925802864 759545823 /nfs/dbraw/zinc/54/58/23/759545823.db2.gz SBTADFJVHVXDAP-HOTGVXAUSA-N 2 1 352.404 3.293 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688620 759802794 /nfs/dbraw/zinc/80/27/94/759802794.db2.gz GCSMPQZPONHGPR-LPHOPBHVSA-N 2 1 357.885 3.079 20 0 FGADMP C[NH+]1C[C@@]2(C)C[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C[C@]2(C)C1 ZINC000931306302 760824376 /nfs/dbraw/zinc/82/43/76/760824376.db2.gz KRBOKMPZQPIASD-ROUUACIJSA-N 2 1 353.869 3.081 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1)c1ccc(Cl)cc1 ZINC000931309689 760824613 /nfs/dbraw/zinc/82/46/13/760824613.db2.gz SCKASTWVYFDGRM-YGWPLHOASA-N 2 1 366.933 3.052 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196676 763464035 /nfs/dbraw/zinc/46/40/35/763464035.db2.gz QTQQMODPTFLUAE-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196676 763464046 /nfs/dbraw/zinc/46/40/46/763464046.db2.gz QTQQMODPTFLUAE-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196676 763464050 /nfs/dbraw/zinc/46/40/50/763464050.db2.gz QTQQMODPTFLUAE-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196676 763464058 /nfs/dbraw/zinc/46/40/58/763464058.db2.gz QTQQMODPTFLUAE-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(Cl)s3)C(C)(C)C2)CC[N@H+]1C ZINC000995828432 764970310 /nfs/dbraw/zinc/97/03/10/764970310.db2.gz XZLLSCCOFLQUMF-BPLDGKMQSA-N 2 1 369.962 3.068 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccccc3Cl)C(C)(C)C2)CC[N@H+]1C ZINC000995828604 764970358 /nfs/dbraw/zinc/97/03/58/764970358.db2.gz ZPQIBRIKJBGHLA-KYJSFNMBSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001023377504 766036359 /nfs/dbraw/zinc/03/63/59/766036359.db2.gz ODVWYAGNEJGQEJ-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001023377504 766036378 /nfs/dbraw/zinc/03/63/78/766036378.db2.gz ODVWYAGNEJGQEJ-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001023377504 766036386 /nfs/dbraw/zinc/03/63/86/766036386.db2.gz ODVWYAGNEJGQEJ-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001034647264 766243140 /nfs/dbraw/zinc/24/31/40/766243140.db2.gz BTULLGFGWADBJW-KBUPBQIOSA-N 2 1 369.962 3.259 20 0 FGADMP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001045043557 766504350 /nfs/dbraw/zinc/50/43/50/766504350.db2.gz HTFBWHQBGKAJBU-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001046330155 766584074 /nfs/dbraw/zinc/58/40/74/766584074.db2.gz GBEFSGPVCIQSJD-DAYGRLMNSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001046330155 766584077 /nfs/dbraw/zinc/58/40/77/766584077.db2.gz GBEFSGPVCIQSJD-DAYGRLMNSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001046330155 766584080 /nfs/dbraw/zinc/58/40/80/766584080.db2.gz GBEFSGPVCIQSJD-DAYGRLMNSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001046330155 766584083 /nfs/dbraw/zinc/58/40/83/766584083.db2.gz GBEFSGPVCIQSJD-DAYGRLMNSA-N 2 1 369.962 3.212 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359870137 210191169 /nfs/dbraw/zinc/19/11/69/210191169.db2.gz LMWCVYULDMBYGC-UWHLTILDSA-N 2 1 350.547 3.444 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000328638188 210122644 /nfs/dbraw/zinc/12/26/44/210122644.db2.gz PBAPFSRNAVFJON-GTAWCEEGSA-N 2 1 360.546 3.366 20 0 FGADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037644444 257338762 /nfs/dbraw/zinc/33/87/62/257338762.db2.gz DHZYWPCJKQQMNJ-NSHDSACASA-N 2 1 363.246 3.482 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037644444 257338764 /nfs/dbraw/zinc/33/87/64/257338764.db2.gz DHZYWPCJKQQMNJ-NSHDSACASA-N 2 1 363.246 3.482 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000090721082 494494960 /nfs/dbraw/zinc/49/49/60/494494960.db2.gz ONEXHLISACOFHC-AAEUAGOBSA-N 2 1 357.292 3.039 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597388 505575141 /nfs/dbraw/zinc/57/51/41/505575141.db2.gz VUJHBQYKUWIXOJ-QFBILLFUSA-N 2 1 351.485 3.216 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCN(CC(F)F)CC1 ZINC000573597388 505575143 /nfs/dbraw/zinc/57/51/43/505575143.db2.gz VUJHBQYKUWIXOJ-QFBILLFUSA-N 2 1 351.485 3.216 20 0 FGADMP CCOc1cccc(Cl)c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576766233 505589486 /nfs/dbraw/zinc/58/94/86/505589486.db2.gz TWPXUMMHFSTEBQ-KRWDZBQOSA-N 2 1 365.949 3.339 20 0 FGADMP CCOc1cccc(Cl)c1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000576766233 505589489 /nfs/dbraw/zinc/58/94/89/505589489.db2.gz TWPXUMMHFSTEBQ-KRWDZBQOSA-N 2 1 365.949 3.339 20 0 FGADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1OC ZINC000567990676 505591488 /nfs/dbraw/zinc/59/14/88/505591488.db2.gz VZNWKOIBRKLZEZ-IAOVAPTHSA-N 2 1 373.522 3.387 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cs2)c1OC ZINC000567990676 505591489 /nfs/dbraw/zinc/59/14/89/505591489.db2.gz VZNWKOIBRKLZEZ-IAOVAPTHSA-N 2 1 373.522 3.387 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000570859930 505597787 /nfs/dbraw/zinc/59/77/87/505597787.db2.gz OQDWEZTZXHJCGJ-KRWDZBQOSA-N 2 1 350.470 3.017 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000570859930 505597790 /nfs/dbraw/zinc/59/77/90/505597790.db2.gz OQDWEZTZXHJCGJ-KRWDZBQOSA-N 2 1 350.470 3.017 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCOCC2)c2ccccc21 ZINC000579822426 505627139 /nfs/dbraw/zinc/62/71/39/505627139.db2.gz MECFQGSRPIQNFW-NJYVYQBISA-N 2 1 371.912 3.448 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000577078967 505660127 /nfs/dbraw/zinc/66/01/27/505660127.db2.gz SOGNGTFTLRCHMQ-QGZVFWFLSA-N 2 1 362.543 3.081 20 0 FGADMP OCCCSCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000573987893 505667057 /nfs/dbraw/zinc/66/70/57/505667057.db2.gz JKAJDYUSQSXZFG-NJDAHSKKSA-N 2 1 362.583 3.382 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000577115387 505667317 /nfs/dbraw/zinc/66/73/17/505667317.db2.gz PXNUADLYIXFGPH-ICSRJNTNSA-N 2 1 360.546 3.243 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000571158778 505668121 /nfs/dbraw/zinc/66/81/21/505668121.db2.gz WQIIBSJJSBKQKI-AZUAARDMSA-N 2 1 366.509 3.301 20 0 FGADMP O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000568374230 505679087 /nfs/dbraw/zinc/67/90/87/505679087.db2.gz HAVNFVXJNIMIIZ-ZHALLVOQSA-N 2 1 356.514 3.328 20 0 FGADMP C[C@H](c1cc2ccccc2o1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068298996 493792681 /nfs/dbraw/zinc/79/26/81/493792681.db2.gz ZMCYYAMYWQZIKZ-OAHLLOKOSA-N 2 1 355.482 3.169 20 0 FGADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000068298996 493792686 /nfs/dbraw/zinc/79/26/86/493792686.db2.gz ZMCYYAMYWQZIKZ-OAHLLOKOSA-N 2 1 355.482 3.169 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068366732 493805874 /nfs/dbraw/zinc/80/58/74/493805874.db2.gz OVSLDMGQBGMQHB-JOCHJYFZSA-N 2 1 363.505 3.287 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(F)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109781 493824678 /nfs/dbraw/zinc/82/46/78/493824678.db2.gz NSCDVPQRLVXZPM-FPOVZHCZSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(F)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109781 493824683 /nfs/dbraw/zinc/82/46/83/493824683.db2.gz NSCDVPQRLVXZPM-FPOVZHCZSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109781 493824687 /nfs/dbraw/zinc/82/46/87/493824687.db2.gz NSCDVPQRLVXZPM-FPOVZHCZSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126702 493837810 /nfs/dbraw/zinc/83/78/10/493837810.db2.gz DSPSFIVPPCPUPZ-NHCUHLMSSA-N 2 1 351.494 3.022 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000081126702 493837813 /nfs/dbraw/zinc/83/78/13/493837813.db2.gz DSPSFIVPPCPUPZ-NHCUHLMSSA-N 2 1 351.494 3.022 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000048828858 493848531 /nfs/dbraw/zinc/84/85/31/493848531.db2.gz ZPHKMPXUDYLLPC-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000048828858 493848532 /nfs/dbraw/zinc/84/85/32/493848532.db2.gz ZPHKMPXUDYLLPC-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000048828858 493848535 /nfs/dbraw/zinc/84/85/35/493848535.db2.gz ZPHKMPXUDYLLPC-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP Ic1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000568395131 505684856 /nfs/dbraw/zinc/68/48/56/505684856.db2.gz STUTUPYQFOCGGY-GJZGRUSLSA-N 2 1 370.278 3.113 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630081 493932918 /nfs/dbraw/zinc/93/29/18/493932918.db2.gz HERASVMBABJPEI-INIZCTEOSA-N 2 1 360.527 3.394 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630081 493932921 /nfs/dbraw/zinc/93/29/21/493932921.db2.gz HERASVMBABJPEI-INIZCTEOSA-N 2 1 360.527 3.394 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630081 493932923 /nfs/dbraw/zinc/93/29/23/493932923.db2.gz HERASVMBABJPEI-INIZCTEOSA-N 2 1 360.527 3.394 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000081630081 493932926 /nfs/dbraw/zinc/93/29/26/493932926.db2.gz HERASVMBABJPEI-INIZCTEOSA-N 2 1 360.527 3.394 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000070450660 494044809 /nfs/dbraw/zinc/04/48/09/494044809.db2.gz AYCNWQDPVQKJFL-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000070450660 494044812 /nfs/dbraw/zinc/04/48/12/494044812.db2.gz AYCNWQDPVQKJFL-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000070450660 494044817 /nfs/dbraw/zinc/04/48/17/494044817.db2.gz AYCNWQDPVQKJFL-NHCUHLMSSA-N 2 1 357.542 3.135 20 0 FGADMP OCC[C@H]1CCCC[NH+]1Cc1ccc(C[N@@H+]2CCCC[C@@H]2CCO)cc1 ZINC000070950144 494073485 /nfs/dbraw/zinc/07/34/85/494073485.db2.gz GAAMHSIVOXEZCN-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cccc(CC[NH+]3CCCC3)c1)CC2 ZINC000571291407 505700082 /nfs/dbraw/zinc/70/00/82/505700082.db2.gz WYAIPPUVWQIWTQ-SFHVURJKSA-N 2 1 352.482 3.031 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000085400889 494120473 /nfs/dbraw/zinc/12/04/73/494120473.db2.gz YNHUBPCPPRHFJE-TYPHKJRUSA-N 2 1 372.557 3.114 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000085404743 494122003 /nfs/dbraw/zinc/12/20/03/494122003.db2.gz JEVRMHAFOLPCCE-AOIWGVFYSA-N 2 1 360.546 3.097 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000086365125 494150621 /nfs/dbraw/zinc/15/06/21/494150621.db2.gz VZSPNDLGOVWHSX-SJORKVTESA-N 2 1 369.513 3.415 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000571313485 505704577 /nfs/dbraw/zinc/70/45/77/505704577.db2.gz CGHSYTPEXQYWJU-HXUWFJFHSA-N 2 1 352.482 3.240 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C)cc1 ZINC000065469729 494201636 /nfs/dbraw/zinc/20/16/36/494201636.db2.gz DUTDSLFGRPKKTN-CTNGQTDRSA-N 2 1 374.573 3.409 20 0 FGADMP C[NH+](C)CCN(Cc1ccco1)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000088250401 494220764 /nfs/dbraw/zinc/22/07/64/494220764.db2.gz OWJYKLLRUIDATO-HXUWFJFHSA-N 2 1 369.509 3.082 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000054511401 494243369 /nfs/dbraw/zinc/24/33/69/494243369.db2.gz GYRIYQBKRIGDFN-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000054511401 494243371 /nfs/dbraw/zinc/24/33/71/494243371.db2.gz GYRIYQBKRIGDFN-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000054511401 494243374 /nfs/dbraw/zinc/24/33/74/494243374.db2.gz GYRIYQBKRIGDFN-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000574154193 505706781 /nfs/dbraw/zinc/70/67/81/505706781.db2.gz WECVROHPIBQOTP-JOCHJYFZSA-N 2 1 365.521 3.365 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000054805502 494273335 /nfs/dbraw/zinc/27/33/35/494273335.db2.gz LBGOCPCGSTYASR-OAHLLOKOSA-N 2 1 352.567 3.105 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000072907667 494280600 /nfs/dbraw/zinc/28/06/00/494280600.db2.gz QOXFDGHFSFCJNO-UHFFFAOYSA-N 2 1 368.525 3.220 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000073033933 494309747 /nfs/dbraw/zinc/30/97/47/494309747.db2.gz ACNICWCEVDTNBF-PKOBYXMFSA-N 2 1 354.498 3.348 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000073033933 494309751 /nfs/dbraw/zinc/30/97/51/494309751.db2.gz ACNICWCEVDTNBF-PKOBYXMFSA-N 2 1 354.498 3.348 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000066410508 494329291 /nfs/dbraw/zinc/32/92/91/494329291.db2.gz KFNZNRCJYRGISG-UHFFFAOYSA-N 2 1 361.449 3.424 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000044533102 494363793 /nfs/dbraw/zinc/36/37/93/494363793.db2.gz WNGXGNHAEBPFNW-NSHDSACASA-N 2 1 363.246 3.482 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000044533102 494363795 /nfs/dbraw/zinc/36/37/95/494363795.db2.gz WNGXGNHAEBPFNW-NSHDSACASA-N 2 1 363.246 3.482 20 0 FGADMP c1ncn(Cc2ccccc2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000078907854 494377636 /nfs/dbraw/zinc/37/76/36/494377636.db2.gz LLIRWVLDOTVXBN-UHFFFAOYSA-N 2 1 361.493 3.081 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1c[nH+]ccc1N ZINC000577383046 505717797 /nfs/dbraw/zinc/71/77/97/505717797.db2.gz MJJRSSSNACUDEE-GXTWGEPZSA-N 2 1 369.419 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000045121402 494399794 /nfs/dbraw/zinc/39/97/94/494399794.db2.gz WJZLKRJGHHWVLB-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000073661121 494408818 /nfs/dbraw/zinc/40/88/18/494408818.db2.gz POMGQZWTHGJJPX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000073661121 494408821 /nfs/dbraw/zinc/40/88/21/494408821.db2.gz POMGQZWTHGJJPX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000073661121 494408824 /nfs/dbraw/zinc/40/88/24/494408824.db2.gz POMGQZWTHGJJPX-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[NH+](Cc1cncc(C[N@H+](C(C)C)[C@@H]2CCOC2)c1)[C@H]1CCOC1 ZINC000580277819 505720502 /nfs/dbraw/zinc/72/05/02/505720502.db2.gz BEYQVRMQOKNKSG-OYRHEFFESA-N 2 1 361.530 3.080 20 0 FGADMP CC(C)[NH+](Cc1cncc(C[N@H+](C(C)C)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000580277819 505720506 /nfs/dbraw/zinc/72/05/06/505720506.db2.gz BEYQVRMQOKNKSG-OYRHEFFESA-N 2 1 361.530 3.080 20 0 FGADMP CC(C)[NH+](Cc1cncc(C[N@@H+](C(C)C)[C@H]2CCOC2)c1)[C@@H]1CCOC1 ZINC000580277819 505720508 /nfs/dbraw/zinc/72/05/08/505720508.db2.gz BEYQVRMQOKNKSG-OYRHEFFESA-N 2 1 361.530 3.080 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000090082475 494438477 /nfs/dbraw/zinc/43/84/77/494438477.db2.gz NFGYMHNZSRUJIQ-JTNHKYCSSA-N 2 1 365.827 3.451 20 0 FGADMP Cc1csc(N2CCC([NH2+]C[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)n1 ZINC000090585776 494484553 /nfs/dbraw/zinc/48/45/53/494484553.db2.gz HGCCSZQZDQFGHP-KRWDZBQOSA-N 2 1 350.576 3.378 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000074168729 494491815 /nfs/dbraw/zinc/49/18/15/494491815.db2.gz NYFWHIXBMGGFJK-INIZCTEOSA-N 2 1 355.438 3.120 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Br)c1OC ZINC000090721082 494494957 /nfs/dbraw/zinc/49/49/57/494494957.db2.gz ONEXHLISACOFHC-AAEUAGOBSA-N 2 1 357.292 3.039 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCC34CCOCC4)CC2)cs1 ZINC000580289265 505724313 /nfs/dbraw/zinc/72/43/13/505724313.db2.gz MRDYAGYUZGITII-SFHVURJKSA-N 2 1 363.571 3.466 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1CCCCCC1 ZINC000074249785 494503550 /nfs/dbraw/zinc/50/35/50/494503550.db2.gz CPKYZNUCRJUITD-QGZVFWFLSA-N 2 1 361.555 3.438 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000074322856 494518477 /nfs/dbraw/zinc/51/84/77/494518477.db2.gz UFDKPNIVLSEZNQ-HXUWFJFHSA-N 2 1 357.542 3.332 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1)C(C)C ZINC000067420380 494538350 /nfs/dbraw/zinc/53/83/50/494538350.db2.gz JVVSTDPVOLVYOO-UHFFFAOYSA-N 2 1 374.573 3.270 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000067420380 494538355 /nfs/dbraw/zinc/53/83/55/494538355.db2.gz JVVSTDPVOLVYOO-UHFFFAOYSA-N 2 1 374.573 3.270 20 0 FGADMP CC[NH+](CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1)C(C)C ZINC000067420380 494538359 /nfs/dbraw/zinc/53/83/59/494538359.db2.gz JVVSTDPVOLVYOO-UHFFFAOYSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079974942 494561701 /nfs/dbraw/zinc/56/17/01/494561701.db2.gz SDASQPKPESSXBF-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000056786276 494562432 /nfs/dbraw/zinc/56/24/32/494562432.db2.gz KPVOKPCVMZSCFA-RBUKOAKNSA-N 2 1 372.557 3.202 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000079985164 494562570 /nfs/dbraw/zinc/56/25/70/494562570.db2.gz OLUSFYSPNUSQCI-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000056864301 494579065 /nfs/dbraw/zinc/57/90/65/494579065.db2.gz FPNBGZZPDUGOCZ-FQEVSTJZSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080072081 494585049 /nfs/dbraw/zinc/58/50/49/494585049.db2.gz HDSLNCVXMCLCNU-GGPKGHCWSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000080095236 494592647 /nfs/dbraw/zinc/59/26/47/494592647.db2.gz MAOMGJMXDRQQDL-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000107833849 494609096 /nfs/dbraw/zinc/60/90/96/494609096.db2.gz CUHLVYAZQNQREL-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP CC1(C)CC(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC(C)(C)[NH2+]1 ZINC000057152605 494657636 /nfs/dbraw/zinc/65/76/36/494657636.db2.gz WAYFGNXGWQHPTA-GOSISDBHSA-N 2 1 357.542 3.324 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000075007640 494672816 /nfs/dbraw/zinc/67/28/16/494672816.db2.gz VJMJYOHNYXKCJL-UHFFFAOYSA-N 2 1 367.921 3.101 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000121268792 494676032 /nfs/dbraw/zinc/67/60/32/494676032.db2.gz KTPLBNZSPPBVPE-IBGZPJMESA-N 2 1 367.537 3.167 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000108368119 494690816 /nfs/dbraw/zinc/69/08/16/494690816.db2.gz HWQYJAQVPGYUSO-UHFFFAOYSA-N 2 1 368.319 3.240 20 0 FGADMP Cc1ccc2ncc(C[N@@H+](C)C3CCN(c4cc(C)[nH+]c(C)n4)CC3)n2c1 ZINC000092645118 494693601 /nfs/dbraw/zinc/69/36/01/494693601.db2.gz RXEAGPCAXRBRKG-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP Cc1ccc2ncc(C[N@H+](C)C3CCN(c4cc(C)[nH+]c(C)n4)CC3)n2c1 ZINC000092645118 494693609 /nfs/dbraw/zinc/69/36/09/494693609.db2.gz RXEAGPCAXRBRKG-UHFFFAOYSA-N 2 1 364.497 3.150 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000075163077 494700522 /nfs/dbraw/zinc/70/05/22/494700522.db2.gz FRAFXZAHANHILF-MQVJKMGUSA-N 2 1 355.482 3.240 20 0 FGADMP CC1=C(c2ccco2)C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000580348528 505737831 /nfs/dbraw/zinc/73/78/31/505737831.db2.gz OBUVIMGDEZIDDQ-FQEVSTJZSA-N 2 1 367.493 3.178 20 0 FGADMP CC1=C(c2ccco2)C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000580348528 505737835 /nfs/dbraw/zinc/73/78/35/505737835.db2.gz OBUVIMGDEZIDDQ-FQEVSTJZSA-N 2 1 367.493 3.178 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000080645772 494753805 /nfs/dbraw/zinc/75/38/05/494753805.db2.gz RLOLEYJFJPITJB-UHFFFAOYSA-N 2 1 374.504 3.334 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nnc(-c3ccc(C)cc3)o2)CC1 ZINC000080645546 494754237 /nfs/dbraw/zinc/75/42/37/494754237.db2.gz AKUBBEXCQNZEBB-UHFFFAOYSA-N 2 1 372.513 3.368 20 0 FGADMP C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821113 494762710 /nfs/dbraw/zinc/76/27/10/494762710.db2.gz ZZTCNOVEFHJQQH-GOSISDBHSA-N 2 1 358.530 3.021 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821426 494764717 /nfs/dbraw/zinc/76/47/17/494764717.db2.gz XXMNYDXYYOAGFV-WIYYLYMNSA-N 2 1 372.557 3.315 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000116431711 494785497 /nfs/dbraw/zinc/78/54/97/494785497.db2.gz VNQWODYAWSZSLC-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000116431711 494785506 /nfs/dbraw/zinc/78/55/06/494785506.db2.gz VNQWODYAWSZSLC-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000116431711 494785513 /nfs/dbraw/zinc/78/55/13/494785513.db2.gz VNQWODYAWSZSLC-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000132051095 494808299 /nfs/dbraw/zinc/80/82/99/494808299.db2.gz TYUTXEOLOMKLRP-SFHVURJKSA-N 2 1 352.567 3.059 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])[C@H]1c1cccs1 ZINC000577525878 505744739 /nfs/dbraw/zinc/74/47/39/505744739.db2.gz NZSVDSIBWZJSLT-APWZRJJASA-N 2 1 357.523 3.062 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C)c3C)CC2)CC1 ZINC000093141678 494834335 /nfs/dbraw/zinc/83/43/35/494834335.db2.gz BOPRAMSFSXABMS-UHFFFAOYSA-N 2 1 357.542 3.070 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc([C@H]4C[C@@H]4C)o3)CC2)CC1 ZINC000093141777 494834399 /nfs/dbraw/zinc/83/43/99/494834399.db2.gz LHKWXLAPRUFAIU-PXNSSMCTSA-N 2 1 373.541 3.169 20 0 FGADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000126831565 494846088 /nfs/dbraw/zinc/84/60/88/494846088.db2.gz WPAHSHCQICOQKN-HNNXBMFYSA-N 2 1 357.514 3.279 20 0 FGADMP FC(F)CN1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000126831565 494846092 /nfs/dbraw/zinc/84/60/92/494846092.db2.gz WPAHSHCQICOQKN-HNNXBMFYSA-N 2 1 357.514 3.279 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000577529619 505746276 /nfs/dbraw/zinc/74/62/76/505746276.db2.gz VVKKRZINDWQVQI-YUXAGFNASA-N 2 1 365.521 3.316 20 0 FGADMP Cc1ccc(F)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000116917065 494870151 /nfs/dbraw/zinc/87/01/51/494870151.db2.gz DEGFEGAFVNYBPN-LJQANCHMSA-N 2 1 369.484 3.121 20 0 FGADMP Cc1ccc(F)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c1 ZINC000116917065 494870153 /nfs/dbraw/zinc/87/01/53/494870153.db2.gz DEGFEGAFVNYBPN-LJQANCHMSA-N 2 1 369.484 3.121 20 0 FGADMP Cc1ccc(F)c(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000116917063 494870471 /nfs/dbraw/zinc/87/04/71/494870471.db2.gz DEGFEGAFVNYBPN-IBGZPJMESA-N 2 1 369.484 3.121 20 0 FGADMP Cc1ccc(F)c(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)c1 ZINC000116917063 494870474 /nfs/dbraw/zinc/87/04/74/494870474.db2.gz DEGFEGAFVNYBPN-IBGZPJMESA-N 2 1 369.484 3.121 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000122035256 494913643 /nfs/dbraw/zinc/91/36/43/494913643.db2.gz AYWLUWGAUSDAFF-KRWDZBQOSA-N 2 1 371.529 3.352 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000127306455 494925878 /nfs/dbraw/zinc/92/58/78/494925878.db2.gz QELHJKFWMDIREL-UHFFFAOYSA-N 2 1 362.518 3.013 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccccc1Br ZINC000093988895 494939011 /nfs/dbraw/zinc/93/90/11/494939011.db2.gz IVBUOOBXXOMCSC-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccccc1Br ZINC000093988895 494939015 /nfs/dbraw/zinc/93/90/15/494939015.db2.gz IVBUOOBXXOMCSC-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000122333312 494959589 /nfs/dbraw/zinc/95/95/89/494959589.db2.gz OMSPRCKNDICELG-OTWHNJEPSA-N 2 1 357.542 3.337 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc(C(C)(C)C)cs1 ZINC000133409397 495010520 /nfs/dbraw/zinc/01/05/20/495010520.db2.gz ASOWUEZBYLUNNQ-IKGGRYGDSA-N 2 1 365.587 3.462 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000127900399 495015168 /nfs/dbraw/zinc/01/51/68/495015168.db2.gz VJSVSJINFCASCI-OXJNMPFZSA-N 2 1 351.450 3.271 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@]4(CC[C@@H](C)C4)C3)CC2)CC1 ZINC000571535545 505757175 /nfs/dbraw/zinc/75/71/75/505757175.db2.gz RDOYWWMGTBUCNE-GCJKJVERSA-N 2 1 361.574 3.221 20 0 FGADMP Cc1csc(N2CCC([NH2+]C3CCN(c4cccc(C)[nH+]4)CC3)CC2)n1 ZINC000128103566 495044713 /nfs/dbraw/zinc/04/47/13/495044713.db2.gz RIGOKJYNOFQPQB-UHFFFAOYSA-N 2 1 371.554 3.382 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc4ccccc4c3)CC2)CC1 ZINC000111241558 495052996 /nfs/dbraw/zinc/05/29/96/495052996.db2.gz ARMHVRVGKACQFH-UHFFFAOYSA-N 2 1 365.521 3.216 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111474197 495079897 /nfs/dbraw/zinc/07/98/97/495079897.db2.gz ZAIJQFOHNABNOH-GOSISDBHSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111474197 495079902 /nfs/dbraw/zinc/07/99/02/495079902.db2.gz ZAIJQFOHNABNOH-GOSISDBHSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000571551442 505759798 /nfs/dbraw/zinc/75/97/98/505759798.db2.gz MXNGRDIKADRQCO-SJLPKXTDSA-N 2 1 358.448 3.319 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000112422488 495187430 /nfs/dbraw/zinc/18/74/30/495187430.db2.gz VNFDITAVMSLILU-INIZCTEOSA-N 2 1 364.559 3.087 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000112422488 495187432 /nfs/dbraw/zinc/18/74/32/495187432.db2.gz VNFDITAVMSLILU-INIZCTEOSA-N 2 1 364.559 3.087 20 0 FGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000112422486 495187511 /nfs/dbraw/zinc/18/75/11/495187511.db2.gz VNFDITAVMSLILU-MRXNPFEDSA-N 2 1 364.559 3.087 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000112422486 495187514 /nfs/dbraw/zinc/18/75/14/495187514.db2.gz VNFDITAVMSLILU-MRXNPFEDSA-N 2 1 364.559 3.087 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC[NH+]1CCCC1 ZINC000112742439 495233891 /nfs/dbraw/zinc/23/38/91/495233891.db2.gz HHSZXXIYZISYJE-IBGZPJMESA-N 2 1 372.557 3.298 20 0 FGADMP CC(C)[C@@H](C(=O)Nc1ccc(CC[NH+]2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000104302692 495276066 /nfs/dbraw/zinc/27/60/66/495276066.db2.gz JIMQWIXBFPEXIL-NRFANRHFSA-N 2 1 373.541 3.010 20 0 FGADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC)c(OC)c1 ZINC000124404024 495282137 /nfs/dbraw/zinc/28/21/37/495282137.db2.gz BHKYVUBAEZZKFH-LJQANCHMSA-N 2 1 363.546 3.018 20 0 FGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113208244 495283186 /nfs/dbraw/zinc/28/31/86/495283186.db2.gz KUQKGXIIQSVYKU-QFIPXVFZSA-N 2 1 365.521 3.412 20 0 FGADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000124453052 495290196 /nfs/dbraw/zinc/29/01/96/495290196.db2.gz GAMJLIHRQZCUAW-OAQYLSRUSA-N 2 1 359.558 3.380 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2ccc(Br)c(Br)c2)CC1 ZINC000124500500 495298094 /nfs/dbraw/zinc/29/80/94/495298094.db2.gz AHDZPHIHVVQUGB-UHFFFAOYSA-N 2 1 362.109 3.395 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000124656000 495323564 /nfs/dbraw/zinc/32/35/64/495323564.db2.gz PUXRNDBDPQGUEI-UHFFFAOYSA-N 2 1 352.404 3.423 20 0 FGADMP CCC[C@@H](NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000105242329 495348215 /nfs/dbraw/zinc/34/82/15/495348215.db2.gz FEKBNHXYOXAICP-HXUWFJFHSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H](c1ccsc1)N1CCN(C(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000130205320 495355688 /nfs/dbraw/zinc/35/56/88/495355688.db2.gz COCBKYNEILZROA-KRWDZBQOSA-N 2 1 357.523 3.085 20 0 FGADMP C[C@@H](c1ccsc1)N1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000130205320 495355693 /nfs/dbraw/zinc/35/56/93/495355693.db2.gz COCBKYNEILZROA-KRWDZBQOSA-N 2 1 357.523 3.085 20 0 FGADMP Cc1nccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000136295325 495369994 /nfs/dbraw/zinc/36/99/94/495369994.db2.gz RZPJKMITYSBHHB-QGZVFWFLSA-N 2 1 368.525 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000136295325 495370000 /nfs/dbraw/zinc/37/00/00/495370000.db2.gz RZPJKMITYSBHHB-QGZVFWFLSA-N 2 1 368.525 3.270 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 ZINC000136295325 495370004 /nfs/dbraw/zinc/37/00/04/495370004.db2.gz RZPJKMITYSBHHB-QGZVFWFLSA-N 2 1 368.525 3.270 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000114457101 495376540 /nfs/dbraw/zinc/37/65/40/495376540.db2.gz GMVPRQFZNMTLCT-KRWDZBQOSA-N 2 1 363.933 3.118 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000130372987 495382545 /nfs/dbraw/zinc/38/25/45/495382545.db2.gz SCLRCRBVANOLMM-SQNIBIBYSA-N 2 1 356.432 3.464 20 0 FGADMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@H]4O)CC3)c2O1 ZINC000136582721 495388545 /nfs/dbraw/zinc/38/85/45/495388545.db2.gz OCLBOYGOASIODU-WOJBJXKFSA-N 2 1 358.526 3.258 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117243 495393571 /nfs/dbraw/zinc/39/35/71/495393571.db2.gz ORWSHANNEACSCJ-VQIMIIECSA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117243 495393577 /nfs/dbraw/zinc/39/35/77/495393577.db2.gz ORWSHANNEACSCJ-VQIMIIECSA-N 2 1 362.493 3.144 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000125117243 495393582 /nfs/dbraw/zinc/39/35/82/495393582.db2.gz ORWSHANNEACSCJ-VQIMIIECSA-N 2 1 362.493 3.144 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccc(F)cc1 ZINC000106166281 495421928 /nfs/dbraw/zinc/42/19/28/495421928.db2.gz LPHMVEXYJHBQJU-CVEARBPZSA-N 2 1 372.488 3.080 20 0 FGADMP CCN(CC)[C@@H](C(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000120710449 495440372 /nfs/dbraw/zinc/44/03/72/495440372.db2.gz CXEVKTZSNRCOGP-WOJBJXKFSA-N 2 1 353.466 3.144 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)c1 ZINC000130768337 495442149 /nfs/dbraw/zinc/44/21/49/495442149.db2.gz FYPMLDJDGUSILX-UHFFFAOYSA-N 2 1 368.525 3.199 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000137568504 495445559 /nfs/dbraw/zinc/44/55/59/495445559.db2.gz HZUBGSZVXZYCCT-IBGZPJMESA-N 2 1 359.514 3.364 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000130830455 495453270 /nfs/dbraw/zinc/45/32/70/495453270.db2.gz JXHLZIWXHWIHDC-WOJBJXKFSA-N 2 1 364.578 3.014 20 0 FGADMP CC[C@H](NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000130888357 495461482 /nfs/dbraw/zinc/46/14/82/495461482.db2.gz VWHSXKWMIOVNPN-SFHVURJKSA-N 2 1 362.905 3.434 20 0 FGADMP CC[C@H](NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccc(Cl)cc1 ZINC000130888357 495461486 /nfs/dbraw/zinc/46/14/86/495461486.db2.gz VWHSXKWMIOVNPN-SFHVURJKSA-N 2 1 362.905 3.434 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CCCOc2ccccc2C(N)=O)C1 ZINC000138411533 495461695 /nfs/dbraw/zinc/46/16/95/495461695.db2.gz ZHJDCQIUYJCQJK-ROUUACIJSA-N 2 1 361.530 3.043 20 0 FGADMP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125627970 495473490 /nfs/dbraw/zinc/47/34/90/495473490.db2.gz OIDZLWRGWXMABD-AWEZNQCLSA-N 2 1 353.388 3.147 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)c1 ZINC000140551410 495497414 /nfs/dbraw/zinc/49/74/14/495497414.db2.gz YIAZWVLFMHIQJE-LJQANCHMSA-N 2 1 374.554 3.302 20 0 FGADMP C[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000580568952 505788438 /nfs/dbraw/zinc/78/84/38/505788438.db2.gz VLIPTCPKRFJNAJ-HXUWFJFHSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000173593203 495603601 /nfs/dbraw/zinc/60/36/01/495603601.db2.gz TVFYFRUVGXZFES-SFHVURJKSA-N 2 1 353.510 3.389 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182555575 495613567 /nfs/dbraw/zinc/61/35/67/495613567.db2.gz BJMBLGNECFZIRH-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555575 495613573 /nfs/dbraw/zinc/61/35/73/495613573.db2.gz BJMBLGNECFZIRH-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555575 495613579 /nfs/dbraw/zinc/61/35/79/495613579.db2.gz BJMBLGNECFZIRH-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000176454181 495656874 /nfs/dbraw/zinc/65/68/74/495656874.db2.gz VFCGRGHEOCGAOW-BQFCYCMXSA-N 2 1 366.575 3.161 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691568 495681092 /nfs/dbraw/zinc/68/10/92/495681092.db2.gz CJFQNTAVNINVHL-WSTZPKSXSA-N 2 1 357.542 3.242 20 0 FGADMP Cc1ccccc1CNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691568 495681096 /nfs/dbraw/zinc/68/10/96/495681096.db2.gz CJFQNTAVNINVHL-WSTZPKSXSA-N 2 1 357.542 3.242 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)CC1 ZINC000159255980 495695328 /nfs/dbraw/zinc/69/53/28/495695328.db2.gz JCWXIBKLOLBOQS-HNNXBMFYSA-N 2 1 351.922 3.151 20 0 FGADMP COC(=O)c1ccccc1OCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730929 495700753 /nfs/dbraw/zinc/70/07/53/495700753.db2.gz NOUJJJVFBXCWTG-DLBZAZTESA-N 2 1 360.498 3.095 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182847506 495728013 /nfs/dbraw/zinc/72/80/13/495728013.db2.gz POPLEJBMIPSFGT-POAQFYNOSA-N 2 1 373.545 3.019 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182847506 495728018 /nfs/dbraw/zinc/72/80/18/495728018.db2.gz POPLEJBMIPSFGT-POAQFYNOSA-N 2 1 373.545 3.019 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000179903372 495776555 /nfs/dbraw/zinc/77/65/55/495776555.db2.gz VKAVMJYPGBTMQU-OCCSQVGLSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1C ZINC000179903372 495776559 /nfs/dbraw/zinc/77/65/59/495776559.db2.gz VKAVMJYPGBTMQU-OCCSQVGLSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903372 495776562 /nfs/dbraw/zinc/77/65/62/495776562.db2.gz VKAVMJYPGBTMQU-OCCSQVGLSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903372 495776567 /nfs/dbraw/zinc/77/65/67/495776567.db2.gz VKAVMJYPGBTMQU-OCCSQVGLSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000179903356 495777138 /nfs/dbraw/zinc/77/71/38/495777138.db2.gz VKAVMJYPGBTMQU-GXTWGEPZSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[N@H+]1C ZINC000179903356 495777146 /nfs/dbraw/zinc/77/71/46/495777146.db2.gz VKAVMJYPGBTMQU-GXTWGEPZSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903356 495777152 /nfs/dbraw/zinc/77/71/52/495777152.db2.gz VKAVMJYPGBTMQU-GXTWGEPZSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)CC[NH+]1C ZINC000179903356 495777157 /nfs/dbraw/zinc/77/71/57/495777157.db2.gz VKAVMJYPGBTMQU-GXTWGEPZSA-N 2 1 369.303 3.135 20 0 FGADMP C[C@@H]1C[N@H+](CC2CCN(Cc3cc(-c4ccco4)on3)CC2)C[C@H](C)O1 ZINC000171306912 495813459 /nfs/dbraw/zinc/81/34/59/495813459.db2.gz MTOFZCVCMNJNFI-IYBDPMFKSA-N 2 1 359.470 3.256 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(-c4ccco4)on3)CC2)C[C@H](C)O1 ZINC000171306912 495813468 /nfs/dbraw/zinc/81/34/68/495813468.db2.gz MTOFZCVCMNJNFI-IYBDPMFKSA-N 2 1 359.470 3.256 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000155058120 495819126 /nfs/dbraw/zinc/81/91/26/495819126.db2.gz HQJJSVLZTSHSCR-RTWAWAEBSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1)C(C)C ZINC000155058120 495819127 /nfs/dbraw/zinc/81/91/27/495819127.db2.gz HQJJSVLZTSHSCR-RTWAWAEBSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1)C(C)C ZINC000155058120 495819129 /nfs/dbraw/zinc/81/91/29/495819129.db2.gz HQJJSVLZTSHSCR-RTWAWAEBSA-N 2 1 357.542 3.473 20 0 FGADMP Cc1nccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180163754 495888448 /nfs/dbraw/zinc/88/84/48/495888448.db2.gz XGOGOFZBQIGTSY-KDXIVRHGSA-N 2 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180163754 495888450 /nfs/dbraw/zinc/88/84/50/495888450.db2.gz XGOGOFZBQIGTSY-KDXIVRHGSA-N 3 1 352.526 3.328 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180163754 495888451 /nfs/dbraw/zinc/88/84/51/495888451.db2.gz XGOGOFZBQIGTSY-KDXIVRHGSA-N 3 1 352.526 3.328 20 0 FGADMP CC1CCC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)CC1 ZINC000174282829 495894284 /nfs/dbraw/zinc/89/42/84/495894284.db2.gz LSQMBIITTMZARO-UHFFFAOYSA-N 2 1 359.514 3.016 20 0 FGADMP O=C(C1CC1)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000568948329 505814711 /nfs/dbraw/zinc/81/47/11/505814711.db2.gz FFBHRPPFPKUQOI-DKUWSORSSA-N 2 1 367.537 3.173 20 0 FGADMP CN1CCC([N@@H+](CCO)Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000155494165 495972071 /nfs/dbraw/zinc/97/20/71/495972071.db2.gz IGAFWPRKDVCITB-UHFFFAOYSA-N 2 1 372.484 3.293 20 0 FGADMP C[NH+]1CCC(N(CCO)Cc2cccc(OCc3ccccc3F)c2)CC1 ZINC000155494165 495972073 /nfs/dbraw/zinc/97/20/73/495972073.db2.gz IGAFWPRKDVCITB-UHFFFAOYSA-N 2 1 372.484 3.293 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000180547975 496041028 /nfs/dbraw/zinc/04/10/28/496041028.db2.gz HJWGGNYPWJHXEP-UHFFFAOYSA-N 2 1 364.578 3.288 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174633718 496041026 /nfs/dbraw/zinc/04/10/26/496041026.db2.gz PMQLUZSZPNBPQB-SEJPIABJSA-N 2 1 372.557 3.343 20 0 FGADMP CCc1ccc([C@@H](CN2CCOCC2)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000183653739 496064058 /nfs/dbraw/zinc/06/40/58/496064058.db2.gz QHNNUKHUMDYRIN-JOCHJYFZSA-N 2 1 370.541 3.197 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000177483895 496080450 /nfs/dbraw/zinc/08/04/50/496080450.db2.gz HRYJOWNMEYGSPK-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000177483895 496080455 /nfs/dbraw/zinc/08/04/55/496080455.db2.gz HRYJOWNMEYGSPK-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3nc(-c4ccco4)no3)CC2)C[C@H](C)O1 ZINC000177487136 496082209 /nfs/dbraw/zinc/08/22/09/496082209.db2.gz NCYIDWPTVOCXJK-HOTGVXAUSA-N 2 1 374.485 3.041 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H](C)C1 ZINC000152233033 496088050 /nfs/dbraw/zinc/08/80/50/496088050.db2.gz BMAPOZQDJVOWCG-QUCCMNQESA-N 2 1 356.514 3.099 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000568979945 505823367 /nfs/dbraw/zinc/82/33/67/505823367.db2.gz QMDHAVMGLGNYET-LQWHRVPQSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000152286759 496104783 /nfs/dbraw/zinc/10/47/83/496104783.db2.gz AACQUNNDLFMAKU-QLFBSQMISA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC[N@H+]1C ZINC000152286759 496104790 /nfs/dbraw/zinc/10/47/90/496104790.db2.gz AACQUNNDLFMAKU-QLFBSQMISA-N 2 1 352.320 3.100 20 0 FGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 ZINC000574647667 505823506 /nfs/dbraw/zinc/82/35/06/505823506.db2.gz OIXXYCUXWPUMCO-UHFFFAOYSA-N 2 1 350.470 3.017 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000152365627 496127854 /nfs/dbraw/zinc/12/78/54/496127854.db2.gz VXUSMXZXWAEDBQ-DOTOQJQBSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000152382975 496134122 /nfs/dbraw/zinc/13/41/22/496134122.db2.gz WZVSLGXZAYABOZ-XHSDSOJGSA-N 2 1 350.576 3.376 20 0 FGADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)n1 ZINC000152382975 496134127 /nfs/dbraw/zinc/13/41/27/496134127.db2.gz WZVSLGXZAYABOZ-XHSDSOJGSA-N 2 1 350.576 3.376 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000156059507 496146491 /nfs/dbraw/zinc/14/64/91/496146491.db2.gz VWTYSLGOTFTCRA-HXUWFJFHSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000156059507 496146497 /nfs/dbraw/zinc/14/64/97/496146497.db2.gz VWTYSLGOTFTCRA-HXUWFJFHSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000156059507 496146502 /nfs/dbraw/zinc/14/65/02/496146502.db2.gz VWTYSLGOTFTCRA-HXUWFJFHSA-N 2 1 360.546 3.008 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000174890196 496150780 /nfs/dbraw/zinc/15/07/80/496150780.db2.gz MQRHAANAFPMQIF-OALUTQOASA-N 2 1 374.573 3.489 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000577958602 505828062 /nfs/dbraw/zinc/82/80/62/505828062.db2.gz SHMYYZCAEAAHQN-UHFFFAOYSA-N 2 1 371.978 3.462 20 0 FGADMP C[C@@H](c1ccc(NC(=O)c2cccc(C[NH+](C)C)c2)cc1)[NH+]1CCOCC1 ZINC000156265723 496201560 /nfs/dbraw/zinc/20/15/60/496201560.db2.gz OGXNZKSHFZDURH-KRWDZBQOSA-N 2 1 367.493 3.394 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(c2ccsc2)CC1)c1ccccc1 ZINC000186935932 496219266 /nfs/dbraw/zinc/21/92/66/496219266.db2.gz YGEHOQCVLNGTJU-FQEVSTJZSA-N 2 1 371.550 3.347 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177846125 496221202 /nfs/dbraw/zinc/22/12/02/496221202.db2.gz AUONMSJTFLYZBF-SFHVURJKSA-N 2 1 360.546 3.012 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC2(CC2)C1 ZINC000186951902 496225700 /nfs/dbraw/zinc/22/57/00/496225700.db2.gz QVFKVUYJGQKZBI-SFHVURJKSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)CCn1cccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000180992757 496232961 /nfs/dbraw/zinc/23/29/61/496232961.db2.gz XRGHAJYKOKJEJR-JOCHJYFZSA-N 2 1 355.526 3.391 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000175064099 496233290 /nfs/dbraw/zinc/23/32/90/496233290.db2.gz VMVJXFJLEWRKNX-RAFMOHDBSA-N 2 1 364.578 3.057 20 0 FGADMP CCC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000152727539 496237956 /nfs/dbraw/zinc/23/79/56/496237956.db2.gz IBPGTSGWHMMGOW-IBGZPJMESA-N 2 1 374.529 3.159 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000181449978 496401229 /nfs/dbraw/zinc/40/12/29/496401229.db2.gz QLTPCUJDGOWDSD-TUFLPTIASA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@@H+]1C ZINC000162859060 496424295 /nfs/dbraw/zinc/42/42/95/496424295.db2.gz ZYHZXORTHZCQGB-UTKZUKDTSA-N 2 1 350.510 3.217 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@H+]1C ZINC000162859060 496424299 /nfs/dbraw/zinc/42/42/99/496424299.db2.gz ZYHZXORTHZCQGB-UTKZUKDTSA-N 2 1 350.510 3.217 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@@H+]1C ZINC000162858947 496424599 /nfs/dbraw/zinc/42/45/99/496424599.db2.gz ZYHZXORTHZCQGB-LAUBAEHRSA-N 2 1 350.510 3.217 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)CC[N@H+]1C ZINC000162858947 496424603 /nfs/dbraw/zinc/42/46/03/496424603.db2.gz ZYHZXORTHZCQGB-LAUBAEHRSA-N 2 1 350.510 3.217 20 0 FGADMP C[C@H](NC(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181662519 496491836 /nfs/dbraw/zinc/49/18/36/496491836.db2.gz DCFQTWXKEBKXHX-ZWKOTPCHSA-N 2 1 373.541 3.010 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750335 505847765 /nfs/dbraw/zinc/84/77/65/505847765.db2.gz OXUKERNCBWLJPD-OPYAIIAOSA-N 2 1 374.550 3.469 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)c1 ZINC000574750335 505847768 /nfs/dbraw/zinc/84/77/68/505847768.db2.gz OXUKERNCBWLJPD-OPYAIIAOSA-N 2 1 374.550 3.469 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000178699104 496544812 /nfs/dbraw/zinc/54/48/12/496544812.db2.gz GRHSQOAMIJNGDF-IRXDYDNUSA-N 2 1 367.497 3.491 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580843189 505851283 /nfs/dbraw/zinc/85/12/83/505851283.db2.gz BMNHYRGSNJAEQP-PKOBYXMFSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580843189 505851285 /nfs/dbraw/zinc/85/12/85/505851285.db2.gz BMNHYRGSNJAEQP-PKOBYXMFSA-N 2 1 367.896 3.261 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(SC)cc1 ZINC000157798061 496557265 /nfs/dbraw/zinc/55/72/65/496557265.db2.gz NPGVPYYGMIQGRM-KRWDZBQOSA-N 2 1 364.559 3.288 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)NCc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000157822918 496563430 /nfs/dbraw/zinc/56/34/30/496563430.db2.gz FHFZAIXOYUUHJL-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCCS2 ZINC000187821434 496583946 /nfs/dbraw/zinc/58/39/46/496583946.db2.gz WNVHNOMTKQHWAV-SFHVURJKSA-N 2 1 350.528 3.059 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960591 505855746 /nfs/dbraw/zinc/85/57/46/505855746.db2.gz PAIKRGVLVOPWOC-AJSBUHFISA-N 2 1 352.522 3.399 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000173346453 496652754 /nfs/dbraw/zinc/65/27/54/496652754.db2.gz DNQBNCZFWFRYHY-RBUKOAKNSA-N 2 1 364.578 3.299 20 0 FGADMP CN(C(=O)c1ccncc1)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166646499 496691429 /nfs/dbraw/zinc/69/14/29/496691429.db2.gz KAGFVTZXVSMISQ-TZIWHRDSSA-N 2 1 364.493 3.075 20 0 FGADMP CN(C(=O)c1ccncc1)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166646499 496691432 /nfs/dbraw/zinc/69/14/32/496691432.db2.gz KAGFVTZXVSMISQ-TZIWHRDSSA-N 2 1 364.493 3.075 20 0 FGADMP c1ccc(C[NH+]2CCC(OCCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000166772974 496692349 /nfs/dbraw/zinc/69/23/49/496692349.db2.gz POSCQAJXTOZTFP-FCHUYYIVSA-N 3 1 371.569 3.274 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095697 496708789 /nfs/dbraw/zinc/70/87/89/496708789.db2.gz YFLDPEVMVCKBGB-FTRWYGJKSA-N 2 1 352.482 3.467 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095697 496708793 /nfs/dbraw/zinc/70/87/93/496708793.db2.gz YFLDPEVMVCKBGB-FTRWYGJKSA-N 2 1 352.482 3.467 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000168706817 496711804 /nfs/dbraw/zinc/71/18/04/496711804.db2.gz ZVZSKLIPLNJNEK-KAGYGMCKSA-N 2 1 365.521 3.303 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CCC2 ZINC000182264331 496723516 /nfs/dbraw/zinc/72/35/16/496723516.db2.gz DUUCYDUOGRJBQX-ZWKOTPCHSA-N 2 1 371.550 3.439 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185310018 496727495 /nfs/dbraw/zinc/72/74/95/496727495.db2.gz ZJAUFQCEEIDFAH-QGZVFWFLSA-N 2 1 363.550 3.172 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000246946042 496731967 /nfs/dbraw/zinc/73/19/67/496731967.db2.gz JBAFSRAPWCVEBA-MOPGFXCFSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000246964837 496737228 /nfs/dbraw/zinc/73/72/28/496737228.db2.gz OJKDNOKXHUMHBC-CUDHKJQZSA-N 2 1 355.526 3.159 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000273218797 496743942 /nfs/dbraw/zinc/74/39/42/496743942.db2.gz MRGCAQPCYPWWMO-OHSMVPPVSA-N 2 1 357.542 3.465 20 0 FGADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191419312 496756048 /nfs/dbraw/zinc/75/60/48/496756048.db2.gz NKUAWVAUIIROJC-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000191419312 496756055 /nfs/dbraw/zinc/75/60/55/496756055.db2.gz NKUAWVAUIIROJC-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000191482741 496778698 /nfs/dbraw/zinc/77/86/98/496778698.db2.gz OOMNVTGKEGESIJ-HNNXBMFYSA-N 2 1 354.458 3.364 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1nc(-c2cccnc2)no1 ZINC000191482741 496778705 /nfs/dbraw/zinc/77/87/05/496778705.db2.gz OOMNVTGKEGESIJ-HNNXBMFYSA-N 2 1 354.458 3.364 20 0 FGADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000569158702 505865577 /nfs/dbraw/zinc/86/55/77/505865577.db2.gz VQWNXHJBBMGHMC-FQEVSTJZSA-N 2 1 352.482 3.194 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000191500511 496786332 /nfs/dbraw/zinc/78/63/32/496786332.db2.gz ACUJMIPSCMIVEI-HXUWFJFHSA-N 2 1 354.498 3.177 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C(=O)NC1CC1)c1ccccc1 ZINC000191500511 496786337 /nfs/dbraw/zinc/78/63/37/496786337.db2.gz ACUJMIPSCMIVEI-HXUWFJFHSA-N 2 1 354.498 3.177 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788983 496786475 /nfs/dbraw/zinc/78/64/75/496786475.db2.gz LEARRUCMKKAGAA-QINHECLXSA-N 2 1 352.482 3.152 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)c2ccccn2)c1 ZINC000268788983 496786477 /nfs/dbraw/zinc/78/64/77/496786477.db2.gz LEARRUCMKKAGAA-QINHECLXSA-N 2 1 352.482 3.152 20 0 FGADMP COc1ccc([C@@H]2C[C@H](C)[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000191503249 496787635 /nfs/dbraw/zinc/78/76/35/496787635.db2.gz BWMYKQZIFKNIFO-PZJWPPBQSA-N 2 1 359.558 3.289 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000191512287 496792206 /nfs/dbraw/zinc/79/22/06/496792206.db2.gz YJCOQTMBPVKGGY-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000191512287 496792210 /nfs/dbraw/zinc/79/22/10/496792210.db2.gz YJCOQTMBPVKGGY-CQSZACIVSA-N 2 1 364.440 3.463 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000191516945 496793365 /nfs/dbraw/zinc/79/33/65/496793365.db2.gz FYVIAZINHQSVMY-KRWDZBQOSA-N 2 1 354.498 3.135 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1c2ccccc2C[C@@H]1C ZINC000191516945 496793372 /nfs/dbraw/zinc/79/33/72/496793372.db2.gz FYVIAZINHQSVMY-KRWDZBQOSA-N 2 1 354.498 3.135 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000247211203 496805278 /nfs/dbraw/zinc/80/52/78/496805278.db2.gz WZMACBRFRBGGQH-CEMLEFRQSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000247211203 496805282 /nfs/dbraw/zinc/80/52/82/496805282.db2.gz WZMACBRFRBGGQH-CEMLEFRQSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000247211203 496805285 /nfs/dbraw/zinc/80/52/85/496805285.db2.gz WZMACBRFRBGGQH-CEMLEFRQSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000247211203 496805289 /nfs/dbraw/zinc/80/52/89/496805289.db2.gz WZMACBRFRBGGQH-CEMLEFRQSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@@H+]1C ZINC000268865442 496809146 /nfs/dbraw/zinc/80/91/46/496809146.db2.gz HGKPLZJDMSLJBW-ILXRZTDVSA-N 2 1 357.420 3.236 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@H+]1C ZINC000268865442 496809150 /nfs/dbraw/zinc/80/91/50/496809150.db2.gz HGKPLZJDMSLJBW-ILXRZTDVSA-N 2 1 357.420 3.236 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1SC(F)F ZINC000268871154 496810495 /nfs/dbraw/zinc/81/04/95/496810495.db2.gz VIPGTDSVKASJOU-GXTWGEPZSA-N 2 1 360.470 3.117 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247432242 496858763 /nfs/dbraw/zinc/85/87/63/496858763.db2.gz MFEMGYRPWJGQFF-MAUKXSAKSA-N 2 1 352.906 3.329 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000247432242 496858765 /nfs/dbraw/zinc/85/87/65/496858765.db2.gz MFEMGYRPWJGQFF-MAUKXSAKSA-N 2 1 352.906 3.329 20 0 FGADMP O[C@@H](COc1ccc2ccccc2c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247455155 496861577 /nfs/dbraw/zinc/86/15/77/496861577.db2.gz HUVDAXVRWOGVRP-SIKLNZKXSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247455155 496861583 /nfs/dbraw/zinc/86/15/83/496861583.db2.gz HUVDAXVRWOGVRP-SIKLNZKXSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@H](COc1ccc2ccccc2c1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247455161 496862345 /nfs/dbraw/zinc/86/23/45/496862345.db2.gz HUVDAXVRWOGVRP-UGKGYDQZSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@H](COc1ccc2ccccc2c1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247455161 496862351 /nfs/dbraw/zinc/86/23/51/496862351.db2.gz HUVDAXVRWOGVRP-UGKGYDQZSA-N 2 1 368.521 3.387 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C1CCN(c2cccnn2)CC1 ZINC000277774497 496882346 /nfs/dbraw/zinc/88/23/46/496882346.db2.gz YLZBBFIBHWZXPB-UHFFFAOYSA-N 2 1 367.541 3.193 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000248121996 496956120 /nfs/dbraw/zinc/95/61/20/496956120.db2.gz NNEBNEXVCDKQRH-QHAWAJNXSA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000248121996 496956127 /nfs/dbraw/zinc/95/61/27/496956127.db2.gz NNEBNEXVCDKQRH-QHAWAJNXSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000248121996 496956129 /nfs/dbraw/zinc/95/61/29/496956129.db2.gz NNEBNEXVCDKQRH-QHAWAJNXSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H](C(=O)N3CCCCC3)c3ccccc3)CC[C@@H]21 ZINC000248121996 496956136 /nfs/dbraw/zinc/95/61/36/496956136.db2.gz NNEBNEXVCDKQRH-QHAWAJNXSA-N 2 1 355.526 3.156 20 0 FGADMP CC[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248180846 496969387 /nfs/dbraw/zinc/96/93/87/496969387.db2.gz WKPUYGVZTCNHQG-NEWSRXKRSA-N 2 1 363.933 3.323 20 0 FGADMP CC[C@@H](C[NH2+]C1CCC(N2C(=O)c3ccccc3C2=O)CC1)[NH+]1CCCC1 ZINC000189036225 496986035 /nfs/dbraw/zinc/98/60/35/496986035.db2.gz LRIGUKVIBDASQK-ADKAHSJRSA-N 2 1 369.509 3.058 20 0 FGADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000269678369 496988069 /nfs/dbraw/zinc/98/80/69/496988069.db2.gz ZGLMWPORJZTJNM-UWJYYQICSA-N 2 1 370.541 3.130 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000216525130 496988919 /nfs/dbraw/zinc/98/89/19/496988919.db2.gz YBLUVHJMNGAVSU-IBGZPJMESA-N 2 1 359.901 3.191 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1ccc(Cl)cc1)c1ccccc1 ZINC000216525130 496988927 /nfs/dbraw/zinc/98/89/27/496988927.db2.gz YBLUVHJMNGAVSU-IBGZPJMESA-N 2 1 359.901 3.191 20 0 FGADMP Cc1nn(C)c(C)c1C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248409235 497001018 /nfs/dbraw/zinc/00/10/18/497001018.db2.gz FVVMZCTVRZRYIV-DQOBCGMHSA-N 2 1 366.553 3.468 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192193894 497028937 /nfs/dbraw/zinc/02/89/37/497028937.db2.gz SGOSEKVBRZWKIX-KNQAVFIVSA-N 2 1 370.541 3.407 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)C(C)(C)C)[NH+]2CCCCC2)cc1 ZINC000574914797 505882453 /nfs/dbraw/zinc/88/24/53/505882453.db2.gz KTMMMBSAHNHAHB-IBGZPJMESA-N 2 1 361.530 3.069 20 0 FGADMP c1cn(C2CCCC2)nc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569228358 505883777 /nfs/dbraw/zinc/88/37/77/505883777.db2.gz RNECPPHFVCFXKK-CTNGQTDRSA-N 2 1 352.482 3.344 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cnn1C(C)(C)C ZINC000248723835 497089085 /nfs/dbraw/zinc/08/90/85/497089085.db2.gz UAXKAHVWJSTFID-OXQOHEQNSA-N 2 1 370.541 3.364 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC(CC[NH3+])CC2)C[N@H+]1Cc1ccccc1 ZINC000569231017 505884819 /nfs/dbraw/zinc/88/48/19/505884819.db2.gz ZUPNWPXKJQJXLP-WIYYLYMNSA-N 2 1 372.557 3.058 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248823531 497109829 /nfs/dbraw/zinc/10/98/29/497109829.db2.gz FNXXPVCGDHHJEG-BXXSPATCSA-N 2 1 350.506 3.375 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCc4occc43)c2)C1 ZINC000249031836 497151130 /nfs/dbraw/zinc/15/11/30/497151130.db2.gz RIIZVJIKIYXPDJ-ICSRJNTNSA-N 2 1 367.493 3.144 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CCC1CC[NH2+]CC1 ZINC000236903296 497166193 /nfs/dbraw/zinc/16/61/93/497166193.db2.gz NOVDXXITVIJSNI-NRFANRHFSA-N 2 1 357.542 3.137 20 0 FGADMP CCCOc1c(Br)cc(CNC[C@H]2CCC[N@H+]2C)cc1OC ZINC000236993448 497177212 /nfs/dbraw/zinc/17/72/12/497177212.db2.gz NBTISRUKJIQNEL-CQSZACIVSA-N 2 1 371.319 3.430 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]Cc1cnc(N3CC[NH+](C)CC3)nc1)CC2 ZINC000189613563 497182676 /nfs/dbraw/zinc/18/26/76/497182676.db2.gz XCUKJYYMERPWOL-NRFANRHFSA-N 2 1 365.525 3.129 20 0 FGADMP C[NH2+]CC1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000237045911 497184742 /nfs/dbraw/zinc/18/47/42/497184742.db2.gz RBXYBLCIIXZIDT-UHFFFAOYSA-N 2 1 365.521 3.147 20 0 FGADMP O[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282560 497186706 /nfs/dbraw/zinc/18/67/06/497186706.db2.gz LCDLHQPWJKXRMX-OKZBNKHCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282560 497186710 /nfs/dbraw/zinc/18/67/10/497186710.db2.gz LCDLHQPWJKXRMX-OKZBNKHCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282560 497186714 /nfs/dbraw/zinc/18/67/14/497186714.db2.gz LCDLHQPWJKXRMX-OKZBNKHCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282560 497186718 /nfs/dbraw/zinc/18/67/18/497186718.db2.gz LCDLHQPWJKXRMX-OKZBNKHCSA-N 2 1 356.432 3.286 20 0 FGADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)CC(F)(F)F ZINC000249282560 497186723 /nfs/dbraw/zinc/18/67/23/497186723.db2.gz LCDLHQPWJKXRMX-OKZBNKHCSA-N 2 1 356.432 3.286 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000249336981 497192490 /nfs/dbraw/zinc/19/24/90/497192490.db2.gz ZLDWUDJGWDRLSB-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000249336981 497192497 /nfs/dbraw/zinc/19/24/97/497192497.db2.gz ZLDWUDJGWDRLSB-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000249336981 497192502 /nfs/dbraw/zinc/19/25/02/497192502.db2.gz ZLDWUDJGWDRLSB-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278750265 497207564 /nfs/dbraw/zinc/20/75/64/497207564.db2.gz NWZLFZWNMIUQSH-UMOULQGESA-N 2 1 355.526 3.219 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237472505 497242333 /nfs/dbraw/zinc/24/23/33/497242333.db2.gz FEOMGBFDJQOGCJ-UTKZUKDTSA-N 2 1 351.494 3.235 20 0 FGADMP COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237488029 497244611 /nfs/dbraw/zinc/24/46/11/497244611.db2.gz DAFXGPWVAFWDDX-RTWAWAEBSA-N 2 1 367.493 3.038 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H](C)C2CC[NH2+]CC2)cc1 ZINC000237505844 497248262 /nfs/dbraw/zinc/24/82/62/497248262.db2.gz FCLRMKCQYBAIKT-HOTGVXAUSA-N 2 1 354.498 3.384 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(-c2ccncc2)n1 ZINC000192926296 497248423 /nfs/dbraw/zinc/24/84/23/497248423.db2.gz VPECDKJPVACGPK-LJQANCHMSA-N 2 1 361.493 3.094 20 0 FGADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278875751 497250731 /nfs/dbraw/zinc/25/07/31/497250731.db2.gz SWRYFWFAOHOFDD-HNNXBMFYSA-N 2 1 356.432 3.473 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(c2ccccc2C(F)(F)F)CC1 ZINC000278875751 497250734 /nfs/dbraw/zinc/25/07/34/497250734.db2.gz SWRYFWFAOHOFDD-HNNXBMFYSA-N 2 1 356.432 3.473 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000578235778 505894477 /nfs/dbraw/zinc/89/44/77/505894477.db2.gz XNYKBLANJXVWBD-UZKOGDIHSA-N 2 1 365.521 3.493 20 0 FGADMP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](c4ncc[nH]4)C3)nn2)c(Cl)c1 ZINC000271127063 497268669 /nfs/dbraw/zinc/26/86/69/497268669.db2.gz NDSQZAJCMDUCLS-GFCCVEGCSA-N 2 1 360.824 3.163 20 0 FGADMP Fc1ccc(-n2cc(C[N@H+]3CCC[C@@H](c4ncc[nH]4)C3)nn2)c(Cl)c1 ZINC000271127063 497268670 /nfs/dbraw/zinc/26/86/70/497268670.db2.gz NDSQZAJCMDUCLS-GFCCVEGCSA-N 2 1 360.824 3.163 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000279142904 497348059 /nfs/dbraw/zinc/34/80/59/497348059.db2.gz SAXFQLWGSBNCLB-QHAWAJNXSA-N 2 1 364.493 3.040 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000271440445 497350075 /nfs/dbraw/zinc/35/00/75/497350075.db2.gz CDVKVMYMVBMRED-QQUTXWOLSA-N 2 1 368.521 3.114 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000271440445 497350080 /nfs/dbraw/zinc/35/00/80/497350080.db2.gz CDVKVMYMVBMRED-QQUTXWOLSA-N 2 1 368.521 3.114 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000255058654 497356437 /nfs/dbraw/zinc/35/64/37/497356437.db2.gz NTJSLGRUSCUKRW-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000255058654 497356442 /nfs/dbraw/zinc/35/64/42/497356442.db2.gz NTJSLGRUSCUKRW-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000255058654 497356447 /nfs/dbraw/zinc/35/64/47/497356447.db2.gz NTJSLGRUSCUKRW-GUDVDZBRSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000255958745 497381701 /nfs/dbraw/zinc/38/17/01/497381701.db2.gz NKVGAFZQYVAJME-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000255958745 497381704 /nfs/dbraw/zinc/38/17/04/497381704.db2.gz NKVGAFZQYVAJME-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000255958745 497381707 /nfs/dbraw/zinc/38/17/07/497381707.db2.gz NKVGAFZQYVAJME-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000193470782 497389383 /nfs/dbraw/zinc/38/93/83/497389383.db2.gz NFJTZXRNZBFNLY-UHFFFAOYSA-N 2 1 362.493 3.288 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)[C@H]2CCCc3ccccc32)[C@H](C)C1 ZINC000245415243 497394738 /nfs/dbraw/zinc/39/47/38/497394738.db2.gz DALAYWYQDIKSAH-QMMLZNLJSA-N 2 1 357.542 3.185 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414628 497394987 /nfs/dbraw/zinc/39/49/87/497394987.db2.gz CKWYFMFJMBPCIH-UYAOXDASSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414628 497394990 /nfs/dbraw/zinc/39/49/90/497394990.db2.gz CKWYFMFJMBPCIH-UYAOXDASSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414628 497394993 /nfs/dbraw/zinc/39/49/93/497394993.db2.gz CKWYFMFJMBPCIH-UYAOXDASSA-N 2 1 356.510 3.243 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc3ccccc32)C1 ZINC000245414628 497394999 /nfs/dbraw/zinc/39/49/99/497394999.db2.gz CKWYFMFJMBPCIH-UYAOXDASSA-N 2 1 356.510 3.243 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261597120 497416440 /nfs/dbraw/zinc/41/64/40/497416440.db2.gz ACGFGRHLQROYOI-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000261597120 497416445 /nfs/dbraw/zinc/41/64/45/497416445.db2.gz ACGFGRHLQROYOI-DYVFJYSZSA-N 2 1 370.324 3.074 20 0 FGADMP CC[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000572170479 505906565 /nfs/dbraw/zinc/90/65/65/505906565.db2.gz SMLXDJSNYJPEFH-RTBURBONSA-N 2 1 359.539 3.378 20 0 FGADMP Cc1ccc([C@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000275845506 497445234 /nfs/dbraw/zinc/44/52/34/497445234.db2.gz KCURCLRCEAMYQY-FPOVZHCZSA-N 2 1 355.530 3.428 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106637 497486684 /nfs/dbraw/zinc/48/66/84/497486684.db2.gz WHEOTXKABBVVQB-RHSMWYFYSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106637 497486690 /nfs/dbraw/zinc/48/66/90/497486690.db2.gz WHEOTXKABBVVQB-RHSMWYFYSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106637 497486693 /nfs/dbraw/zinc/48/66/93/497486693.db2.gz WHEOTXKABBVVQB-RHSMWYFYSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000267106637 497486699 /nfs/dbraw/zinc/48/66/99/497486699.db2.gz WHEOTXKABBVVQB-RHSMWYFYSA-N 2 1 355.320 3.146 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)N[C@@H](c2cccs2)C(C)(C)C)CC1 ZINC000261999191 497489941 /nfs/dbraw/zinc/48/99/41/497489941.db2.gz OWVIWVZZZCCOMW-SFHVURJKSA-N 2 1 351.560 3.273 20 0 FGADMP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H](c2cccs2)C(C)(C)C)CC1 ZINC000261999190 497490303 /nfs/dbraw/zinc/49/03/03/497490303.db2.gz OWVIWVZZZCCOMW-GOSISDBHSA-N 2 1 351.560 3.273 20 0 FGADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000262019458 497494403 /nfs/dbraw/zinc/49/44/03/497494403.db2.gz XEOIPQFOPFODRI-CQSZACIVSA-N 2 1 367.921 3.306 20 0 FGADMP CCc1nn(C)c(OC)c1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245753402 497528055 /nfs/dbraw/zinc/52/80/55/497528055.db2.gz ULOVGHRFYVWQFO-LDLYASANSA-N 2 1 368.525 3.276 20 0 FGADMP COCC1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC[NH2+]CC1 ZINC000262333773 497541587 /nfs/dbraw/zinc/54/15/87/497541587.db2.gz FSVPUKHEMUUKJL-UHFFFAOYSA-N 2 1 370.497 3.010 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000245839234 497547282 /nfs/dbraw/zinc/54/72/82/497547282.db2.gz HNSHLVQRSJGSNW-CVEARBPZSA-N 2 1 372.538 3.424 20 0 FGADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000245839234 497547290 /nfs/dbraw/zinc/54/72/90/497547290.db2.gz HNSHLVQRSJGSNW-CVEARBPZSA-N 2 1 372.538 3.424 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000245966537 497586246 /nfs/dbraw/zinc/58/62/46/497586246.db2.gz ZBLFRNHDZXFULR-XYEHWOGUSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000245966537 497586253 /nfs/dbraw/zinc/58/62/53/497586253.db2.gz ZBLFRNHDZXFULR-XYEHWOGUSA-N 2 1 370.537 3.345 20 0 FGADMP O=C(C[NH+](Cc1ccccc1)Cc1ccccc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636760 497588810 /nfs/dbraw/zinc/58/88/10/497588810.db2.gz ORSODKSXQHDERQ-YADHBBJMSA-N 2 1 363.505 3.042 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246010638 497595640 /nfs/dbraw/zinc/59/56/40/497595640.db2.gz ZKHNFOAACFQJSB-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246010638 497595643 /nfs/dbraw/zinc/59/56/43/497595643.db2.gz ZKHNFOAACFQJSB-MSOLQXFVSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000262670164 497595989 /nfs/dbraw/zinc/59/59/89/497595989.db2.gz RHCLPBANUKSOSI-LPHOPBHVSA-N 2 1 357.523 3.085 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000194183050 497596498 /nfs/dbraw/zinc/59/64/98/497596498.db2.gz MLKJWVILSZPBDE-PMACEKPBSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000262674868 497597539 /nfs/dbraw/zinc/59/75/39/497597539.db2.gz RJYKWPCILKESHN-BLCKVISQSA-N 2 1 369.553 3.419 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+](C)C2)[NH+](CC)CC)cc1 ZINC000572223216 505917670 /nfs/dbraw/zinc/91/76/70/505917670.db2.gz IOGBCBGPCPNKME-CTNGQTDRSA-N 2 1 374.573 3.273 20 0 FGADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272388371 497615352 /nfs/dbraw/zinc/61/53/52/497615352.db2.gz ISKBOIWIFNERMF-FPOVZHCZSA-N 2 1 370.541 3.273 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246130523 497631122 /nfs/dbraw/zinc/63/11/22/497631122.db2.gz JQAWCDPGOPXXOX-DZGCQCFKSA-N 2 1 360.420 3.456 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246130523 497631125 /nfs/dbraw/zinc/63/11/25/497631125.db2.gz JQAWCDPGOPXXOX-DZGCQCFKSA-N 2 1 360.420 3.456 20 0 FGADMP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246140187 497634964 /nfs/dbraw/zinc/63/49/64/497634964.db2.gz ZXVNMZVMKBUDOY-SJLPKXTDSA-N 2 1 369.513 3.225 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000246140187 497634970 /nfs/dbraw/zinc/63/49/70/497634970.db2.gz ZXVNMZVMKBUDOY-SJLPKXTDSA-N 2 1 369.513 3.225 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000246147109 497637807 /nfs/dbraw/zinc/63/78/07/497637807.db2.gz YYHHTRDSNPKJOL-QMMLZNLJSA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000246147109 497637811 /nfs/dbraw/zinc/63/78/11/497637811.db2.gz YYHHTRDSNPKJOL-QMMLZNLJSA-N 2 1 351.494 3.069 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[NH+]1CCC[C@H](C)C1)CC2 ZINC000246155191 497640929 /nfs/dbraw/zinc/64/09/29/497640929.db2.gz KMABAEGJRXWDQZ-ZCNNSNEGSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1)CC2 ZINC000246155191 497640934 /nfs/dbraw/zinc/64/09/34/497640934.db2.gz KMABAEGJRXWDQZ-ZCNNSNEGSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)CC2 ZINC000246155191 497640940 /nfs/dbraw/zinc/64/09/40/497640940.db2.gz KMABAEGJRXWDQZ-ZCNNSNEGSA-N 2 1 364.578 3.155 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272557285 497662036 /nfs/dbraw/zinc/66/20/36/497662036.db2.gz TZLBUWSBPRRTBG-RBDMOPTHSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C(C)(C)C[NH+](C)C ZINC000246303481 497689910 /nfs/dbraw/zinc/68/99/10/497689910.db2.gz LTQLEBMHOZIVOR-RBUKOAKNSA-N 2 1 374.573 3.269 20 0 FGADMP COc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000194540765 497700171 /nfs/dbraw/zinc/70/01/71/497700171.db2.gz QMXAKMVIOGIMOA-KDURUIRLSA-N 2 1 370.468 3.407 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000246342950 497702179 /nfs/dbraw/zinc/70/21/79/497702179.db2.gz JDZSQBOWEJILFI-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246342950 497702183 /nfs/dbraw/zinc/70/21/83/497702183.db2.gz JDZSQBOWEJILFI-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246342950 497702186 /nfs/dbraw/zinc/70/21/86/497702186.db2.gz JDZSQBOWEJILFI-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cncc(F)c3)CC2)c1C ZINC000280288521 497709457 /nfs/dbraw/zinc/70/94/57/497709457.db2.gz UBPDFVOJFGACDN-UHFFFAOYSA-N 2 1 372.488 3.338 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cncc(F)c3)CC2)c1C ZINC000280288521 497709463 /nfs/dbraw/zinc/70/94/63/497709463.db2.gz UBPDFVOJFGACDN-UHFFFAOYSA-N 2 1 372.488 3.338 20 0 FGADMP Cc1c([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cnn1C(C)C ZINC000191129316 497718736 /nfs/dbraw/zinc/71/87/36/497718736.db2.gz AHDTXOWCTQFUTO-QGZVFWFLSA-N 2 1 356.514 3.455 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246395851 497719432 /nfs/dbraw/zinc/71/94/32/497719432.db2.gz JPBJKEZFKOSGCF-RXVVDRJESA-N 2 1 374.573 3.400 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000246395848 497719732 /nfs/dbraw/zinc/71/97/32/497719732.db2.gz JPBJKEZFKOSGCF-GHTZIAJQSA-N 2 1 374.573 3.400 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000263171304 497722510 /nfs/dbraw/zinc/72/25/10/497722510.db2.gz FTIDADGTEBVCOE-HSZRJFAPSA-N 2 1 369.553 3.281 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246410059 497723846 /nfs/dbraw/zinc/72/38/46/497723846.db2.gz KWJIUITUUAEXLQ-NNWRFLSQSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410059 497723853 /nfs/dbraw/zinc/72/38/53/497723853.db2.gz KWJIUITUUAEXLQ-NNWRFLSQSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410059 497723858 /nfs/dbraw/zinc/72/38/58/497723858.db2.gz KWJIUITUUAEXLQ-NNWRFLSQSA-N 2 1 367.537 3.126 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(Cc2ccc(C)cc2)C2CC2)[C@@H](C)C1 ZINC000246471091 497744799 /nfs/dbraw/zinc/74/47/99/497744799.db2.gz GUUUYQZJADZOIA-RXVVDRJESA-N 2 1 357.542 3.148 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246472693 497745903 /nfs/dbraw/zinc/74/59/03/497745903.db2.gz GVCFRNLCZQRFRE-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246472693 497745907 /nfs/dbraw/zinc/74/59/07/497745907.db2.gz GVCFRNLCZQRFRE-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246472693 497745914 /nfs/dbraw/zinc/74/59/14/497745914.db2.gz GVCFRNLCZQRFRE-HMXCVIKNSA-N 2 1 372.557 3.069 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737159 497753756 /nfs/dbraw/zinc/75/37/56/497753756.db2.gz LRCSEPQVSUIRDG-KRWDZBQOSA-N 2 1 359.514 3.220 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000246509044 497757668 /nfs/dbraw/zinc/75/76/68/497757668.db2.gz TZGVYWSMPRBWOK-DFQSSKMNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750727 497760215 /nfs/dbraw/zinc/76/02/15/497760215.db2.gz URCDHHZUKIOWMI-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246533965 497766767 /nfs/dbraw/zinc/76/67/67/497766767.db2.gz XWQOPLREEPZNLB-YSIASYRMSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246545614 497769746 /nfs/dbraw/zinc/76/97/46/497769746.db2.gz XXBLQHRSLFDVGH-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000246578616 497780346 /nfs/dbraw/zinc/78/03/46/497780346.db2.gz VNDUNEIJUMIXQZ-WMQCIHAUSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000246704757 497801857 /nfs/dbraw/zinc/80/18/57/497801857.db2.gz WOCNUTYVFFAQDK-YXYSEUPNSA-N 2 1 357.542 3.182 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246717856 497803657 /nfs/dbraw/zinc/80/36/57/497803657.db2.gz UQYFJQSNYSKUGF-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263699760 497809617 /nfs/dbraw/zinc/80/96/17/497809617.db2.gz NBLWRSUKWVGZDP-UHFFFAOYSA-N 2 1 367.921 3.482 20 0 FGADMP Cc1[nH+]ccn1CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000572290526 505934851 /nfs/dbraw/zinc/93/48/51/505934851.db2.gz WFPPXIYNUSMPEN-UHFFFAOYSA-N 2 1 358.511 3.408 20 0 FGADMP CC(C)Oc1ccccc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288592811 497841217 /nfs/dbraw/zinc/84/12/17/497841217.db2.gz OULPIUZIYMMZKJ-UHFFFAOYSA-N 2 1 357.498 3.489 20 0 FGADMP C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)CC(F)(F)C[NH3+])cc1 ZINC000572420063 505964960 /nfs/dbraw/zinc/96/49/60/505964960.db2.gz IORMQFHCTVOOPF-UHFFFAOYSA-N 2 1 361.436 3.016 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000575351899 505966445 /nfs/dbraw/zinc/96/64/45/505966445.db2.gz JWAARCRRCJKAIS-DBXWQHBBSA-N 2 1 372.557 3.378 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000364618873 498053958 /nfs/dbraw/zinc/05/39/58/498053958.db2.gz AYOKRAGCTAETBS-PKOBYXMFSA-N 2 1 357.523 3.233 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000581403064 505980356 /nfs/dbraw/zinc/98/03/56/505980356.db2.gz ZCQPLXDXDVAXFE-SOLBZPMBSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000581403064 505980361 /nfs/dbraw/zinc/98/03/61/505980361.db2.gz ZCQPLXDXDVAXFE-SOLBZPMBSA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000581403064 505980364 /nfs/dbraw/zinc/98/03/64/505980364.db2.gz ZCQPLXDXDVAXFE-SOLBZPMBSA-N 2 1 366.575 3.159 20 0 FGADMP C=Cn1cc(C[N@@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000364759486 498130658 /nfs/dbraw/zinc/13/06/58/498130658.db2.gz MSFLQZCOHDSLQC-UHFFFAOYSA-N 2 1 354.502 3.271 20 0 FGADMP C=Cn1cc(C[N@H+](CCC)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cn1 ZINC000364759486 498130666 /nfs/dbraw/zinc/13/06/66/498130666.db2.gz MSFLQZCOHDSLQC-UHFFFAOYSA-N 2 1 354.502 3.271 20 0 FGADMP C[N@@H+](C[C@@H](O)CN1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC1 ZINC000289443173 498148544 /nfs/dbraw/zinc/14/85/44/498148544.db2.gz ZDIVXQWFDQAIMW-MRXNPFEDSA-N 2 1 363.889 3.116 20 0 FGADMP CN(C[C@@H](O)C[NH+]1CCC(c2nc3cc(Cl)ccc3o2)CC1)C1CC1 ZINC000289443173 498148551 /nfs/dbraw/zinc/14/85/51/498148551.db2.gz ZDIVXQWFDQAIMW-MRXNPFEDSA-N 2 1 363.889 3.116 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1OC(F)F ZINC000575748645 505995949 /nfs/dbraw/zinc/99/59/49/505995949.db2.gz OYWAHRPOBWMGAC-KSZLIROESA-N 2 1 364.436 3.260 20 0 FGADMP CC[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000569748522 506006975 /nfs/dbraw/zinc/00/69/75/506006975.db2.gz UXLRBUCTCXDJKX-OAQYLSRUSA-N 2 1 357.542 3.420 20 0 FGADMP C[NH+](C)C1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000360354970 498267608 /nfs/dbraw/zinc/26/76/08/498267608.db2.gz MXPPOMBEKMYLCK-KRWDZBQOSA-N 2 1 358.530 3.046 20 0 FGADMP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360474072 498279025 /nfs/dbraw/zinc/27/90/25/498279025.db2.gz YAIJRHIVCZQTFL-IBGZPJMESA-N 2 1 372.488 3.081 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1OC ZINC000572607573 506010752 /nfs/dbraw/zinc/01/07/52/506010752.db2.gz BOGUGBIOVTYBHR-SFHVURJKSA-N 2 1 372.484 3.497 20 0 FGADMP COc1cc(F)c(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1OC ZINC000572607573 506010753 /nfs/dbraw/zinc/01/07/53/506010753.db2.gz BOGUGBIOVTYBHR-SFHVURJKSA-N 2 1 372.484 3.497 20 0 FGADMP C[C@@H]1C[C@H](N[C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169916 498292675 /nfs/dbraw/zinc/29/26/75/498292675.db2.gz WCQLQFOQHRCSFT-DUXKGJEZSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169916 498292690 /nfs/dbraw/zinc/29/26/90/498292690.db2.gz WCQLQFOQHRCSFT-DUXKGJEZSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169916 498292695 /nfs/dbraw/zinc/29/26/95/498292695.db2.gz WCQLQFOQHRCSFT-DUXKGJEZSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N[C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169942 498293110 /nfs/dbraw/zinc/29/31/10/498293110.db2.gz WCQLQFOQHRCSFT-QMMLZNLJSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000293169942 498293124 /nfs/dbraw/zinc/29/31/24/498293124.db2.gz WCQLQFOQHRCSFT-QMMLZNLJSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CC(N)=O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000293169942 498293134 /nfs/dbraw/zinc/29/31/34/498293134.db2.gz WCQLQFOQHRCSFT-QMMLZNLJSA-N 2 1 351.494 3.246 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000360874199 498318679 /nfs/dbraw/zinc/31/86/79/498318679.db2.gz SDEHKYKKNHHGMI-VQIMIIECSA-N 2 1 366.933 3.166 20 0 FGADMP C[C@@H](c1ccccc1Br)N1CCC([N@@H+](C)CCCO)CC1 ZINC000572634964 506017151 /nfs/dbraw/zinc/01/71/51/506017151.db2.gz CBRGAVFROPPGEQ-AWEZNQCLSA-N 2 1 355.320 3.289 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@H](C)C1 ZINC000581577539 506018463 /nfs/dbraw/zinc/01/84/63/506018463.db2.gz ITWYCPSVNANLEJ-WIYYLYMNSA-N 2 1 360.542 3.453 20 0 FGADMP COc1ccc([C@@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCC[NH+]2C)cc1 ZINC000365236261 498366794 /nfs/dbraw/zinc/36/67/94/498366794.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@@H+]2C)cc1 ZINC000365236261 498366797 /nfs/dbraw/zinc/36/67/97/498366797.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH+]4C)CCC[N@H+]2C)cc1 ZINC000365236261 498366803 /nfs/dbraw/zinc/36/68/03/498366803.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CCCN2C)cc1 ZINC000365236261 498366807 /nfs/dbraw/zinc/36/68/07/498366807.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 2 1 357.542 3.293 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCCN2C)cc1 ZINC000365236261 498366811 /nfs/dbraw/zinc/36/68/11/498366811.db2.gz SLUWCCOPPPQCTL-WXMLPMSMSA-N 2 1 357.542 3.293 20 0 FGADMP O=C(c1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1)N1CCCCC1 ZINC000361479803 498397635 /nfs/dbraw/zinc/39/76/35/498397635.db2.gz XHJMVQNOEGYQIF-VSKRKVRLSA-N 2 1 367.537 3.229 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1cccs1 ZINC000361720322 498423987 /nfs/dbraw/zinc/42/39/87/498423987.db2.gz XWDBPLWJUKMTAD-VGJDIJDESA-N 2 1 361.555 3.168 20 0 FGADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106572 498431462 /nfs/dbraw/zinc/43/14/62/498431462.db2.gz SLDSTJKOCGKFIU-GOSISDBHSA-N 2 1 370.493 3.363 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106572 498431467 /nfs/dbraw/zinc/43/14/67/498431467.db2.gz SLDSTJKOCGKFIU-GOSISDBHSA-N 2 1 370.493 3.363 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106572 498431474 /nfs/dbraw/zinc/43/14/74/498431474.db2.gz SLDSTJKOCGKFIU-GOSISDBHSA-N 2 1 370.493 3.363 20 0 FGADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000290106572 498431481 /nfs/dbraw/zinc/43/14/81/498431481.db2.gz SLDSTJKOCGKFIU-GOSISDBHSA-N 2 1 370.493 3.363 20 0 FGADMP CCOc1ccc(OCC)c(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000361805256 498434216 /nfs/dbraw/zinc/43/42/16/498434216.db2.gz YPPWOFXPBPLDLZ-MQVJKMGUSA-N 2 1 360.502 3.293 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000290275787 498491400 /nfs/dbraw/zinc/49/14/00/498491400.db2.gz LVMLLUPCFFYODD-KRWDZBQOSA-N 2 1 350.503 3.136 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(F)c1 ZINC000290291945 498498488 /nfs/dbraw/zinc/49/84/88/498498488.db2.gz MVXQKEJKODKREO-HNNXBMFYSA-N 2 1 361.461 3.411 20 0 FGADMP C[C@@]1(CNC(=O)Nc2ccc(C[NH3+])cc2)CCC[N@H+]1Cc1ccccc1 ZINC000575971173 506045668 /nfs/dbraw/zinc/04/56/68/506045668.db2.gz LBPCOBZJGHQJAE-NRFANRHFSA-N 2 1 352.482 3.322 20 0 FGADMP COCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000293860290 498513920 /nfs/dbraw/zinc/51/39/20/498513920.db2.gz XSZUDGXEMSTHFN-WKCHPHFGSA-N 2 1 358.526 3.215 20 0 FGADMP C[N@H+](CCOc1ccccc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000362425666 498514719 /nfs/dbraw/zinc/51/47/19/498514719.db2.gz SRXIZVTXQOUVNS-UHFFFAOYSA-N 2 1 352.906 3.294 20 0 FGADMP C[N@@H+](CCOc1ccccc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000362425666 498514724 /nfs/dbraw/zinc/51/47/24/498514724.db2.gz SRXIZVTXQOUVNS-UHFFFAOYSA-N 2 1 352.906 3.294 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000290348047 498518992 /nfs/dbraw/zinc/51/89/92/498518992.db2.gz PWMVYULKJFCJBB-FQEVSTJZSA-N 2 1 358.461 3.187 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569924614 506049480 /nfs/dbraw/zinc/04/94/80/506049480.db2.gz AKUYBYIYONWYJU-UCLAIMLFSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569924614 506049483 /nfs/dbraw/zinc/04/94/83/506049483.db2.gz AKUYBYIYONWYJU-UCLAIMLFSA-N 2 1 367.896 3.261 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362689207 498538543 /nfs/dbraw/zinc/53/85/43/498538543.db2.gz OZULYIOHBXIMBF-ZKXLYKBJSA-N 2 1 352.544 3.039 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362689207 498538550 /nfs/dbraw/zinc/53/85/50/498538550.db2.gz OZULYIOHBXIMBF-ZKXLYKBJSA-N 2 1 352.544 3.039 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290411339 498542344 /nfs/dbraw/zinc/54/23/44/498542344.db2.gz KAMWRCNTTBATGL-UHFFFAOYSA-N 2 1 352.486 3.247 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290411339 498542348 /nfs/dbraw/zinc/54/23/48/498542348.db2.gz KAMWRCNTTBATGL-UHFFFAOYSA-N 2 1 352.486 3.247 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294010441 498561899 /nfs/dbraw/zinc/56/18/99/498561899.db2.gz DGNASMKUQPDUQG-CVEARBPZSA-N 2 1 354.454 3.143 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](c1ccc(C)cc1)n1cncn1 ZINC000297785280 498566850 /nfs/dbraw/zinc/56/68/50/498566850.db2.gz WLGKRQBSLRXXRD-RTWAWAEBSA-N 2 1 353.514 3.171 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](Cn3cccn3)C(C)C)CC2)oc1C ZINC000297875419 498595008 /nfs/dbraw/zinc/59/50/08/498595008.db2.gz USQZFFRAAFTQFO-IBGZPJMESA-N 2 1 359.518 3.014 20 0 FGADMP COc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000363039780 498617067 /nfs/dbraw/zinc/61/70/67/498617067.db2.gz FMWQSGVRPYYZCG-UHFFFAOYSA-N 2 1 359.558 3.323 20 0 FGADMP COc1cccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000363039780 498617073 /nfs/dbraw/zinc/61/70/73/498617073.db2.gz FMWQSGVRPYYZCG-UHFFFAOYSA-N 3 1 359.558 3.323 20 0 FGADMP COc1cccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000363039780 498617078 /nfs/dbraw/zinc/61/70/78/498617078.db2.gz FMWQSGVRPYYZCG-UHFFFAOYSA-N 3 1 359.558 3.323 20 0 FGADMP C[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCC(C)CC1 ZINC000302959687 498634977 /nfs/dbraw/zinc/63/49/77/498634977.db2.gz FUVKUXWZVYJIGW-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000581829506 506069272 /nfs/dbraw/zinc/06/92/72/506069272.db2.gz WABCJWQBFBPJFA-JOCHJYFZSA-N 2 1 363.505 3.117 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000365879667 498684826 /nfs/dbraw/zinc/68/48/26/498684826.db2.gz KIPWNAQXKCNVJI-FGZHOGPDSA-N 2 1 369.553 3.374 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000365884712 498687026 /nfs/dbraw/zinc/68/70/26/498687026.db2.gz OALWKABPRFBEIG-CYBMUJFWSA-N 2 1 352.404 3.479 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000365884712 498687028 /nfs/dbraw/zinc/68/70/28/498687028.db2.gz OALWKABPRFBEIG-CYBMUJFWSA-N 2 1 352.404 3.479 20 0 FGADMP C[C@H](CNC(=O)NCc1ccccc1C[NH+]1CCCCCC1)[N@@H+](C)C1CC1 ZINC000303536088 498688203 /nfs/dbraw/zinc/68/82/03/498688203.db2.gz SGCXJAXKWRCZSQ-GOSISDBHSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3ccc(-c4cc[nH]n4)o3)CC2)nc(C)n1 ZINC000366049388 498749259 /nfs/dbraw/zinc/74/92/59/498749259.db2.gz LYLAJWWXWCXPLS-UHFFFAOYSA-N 2 1 366.469 3.177 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3ccc(-c4cc[nH]n4)o3)CC2)nc(C)[nH+]1 ZINC000366049388 498749265 /nfs/dbraw/zinc/74/92/65/498749265.db2.gz LYLAJWWXWCXPLS-UHFFFAOYSA-N 2 1 366.469 3.177 20 0 FGADMP Fc1ccccc1Oc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000581937835 506094709 /nfs/dbraw/zinc/09/47/09/506094709.db2.gz VEJXNWMGMLRAOG-YTQUADARSA-N 2 1 371.456 3.260 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)Oc1ccccc1F ZINC000366212149 498826313 /nfs/dbraw/zinc/82/63/13/498826313.db2.gz UKNHSOXZBXVJIJ-MJQMVNBJSA-N 2 1 350.478 3.072 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000570145950 506101044 /nfs/dbraw/zinc/10/10/44/506101044.db2.gz VDVYRIQFNDFZHQ-IIBYNOLFSA-N 2 1 364.493 3.464 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccc(Cl)c1 ZINC000366331378 498878282 /nfs/dbraw/zinc/87/82/82/498878282.db2.gz VREHVSDIWKFYJW-PKOBYXMFSA-N 2 1 357.885 3.222 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000363583910 498889876 /nfs/dbraw/zinc/88/98/76/498889876.db2.gz ZCFKOKMXIPROAX-IBGZPJMESA-N 2 1 361.534 3.022 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000295108676 498913219 /nfs/dbraw/zinc/91/32/19/498913219.db2.gz WZYJXYUNQSYXQM-UZLBHIALSA-N 2 1 361.505 3.342 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366485380 498947881 /nfs/dbraw/zinc/94/78/81/498947881.db2.gz VQWVOOYUAJMZCW-GUYCJALGSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2ncnn2C(C)(C)C)CC1 ZINC000283698173 498961141 /nfs/dbraw/zinc/96/11/41/498961141.db2.gz XWLBWNWLPWNTBL-UHFFFAOYSA-N 2 1 355.530 3.377 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000283698173 498961143 /nfs/dbraw/zinc/96/11/43/498961143.db2.gz XWLBWNWLPWNTBL-UHFFFAOYSA-N 2 1 355.530 3.377 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000283698173 498961147 /nfs/dbraw/zinc/96/11/47/498961147.db2.gz XWLBWNWLPWNTBL-UHFFFAOYSA-N 2 1 355.530 3.377 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4cc[nH]c43)CC2)CC1 ZINC000573105939 506120287 /nfs/dbraw/zinc/12/02/87/506120287.db2.gz HDWSNGRHLXGKPG-UHFFFAOYSA-N 2 1 354.498 3.303 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000363786354 498992254 /nfs/dbraw/zinc/99/22/54/498992254.db2.gz FWLNRSJVZWBUAA-MOXGXCLJSA-N 2 1 359.489 3.329 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@@H](C)[C@@H](C)c1ccccc1 ZINC000363788811 498994389 /nfs/dbraw/zinc/99/43/89/498994389.db2.gz YCZJUKVZTNXMFM-MSOLQXFVSA-N 2 1 369.557 3.152 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)c3cnn(-c4cc[nH+]cc4)c3)CC2)CC1 ZINC000295469251 499027999 /nfs/dbraw/zinc/02/79/99/499027999.db2.gz OTYZCDIAAHJBLJ-UHFFFAOYSA-N 2 1 367.497 3.040 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000363883249 499038837 /nfs/dbraw/zinc/03/88/37/499038837.db2.gz KHMYMDOVBQNQSG-LJQANCHMSA-N 2 1 366.509 3.274 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cnc(C(C)(C)C)s1 ZINC000288494831 499041298 /nfs/dbraw/zinc/04/12/98/499041298.db2.gz HPMOFENRUYFBAF-UHFFFAOYSA-N 2 1 362.543 3.456 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000291763727 499060065 /nfs/dbraw/zinc/06/00/65/499060065.db2.gz UXRVMHWMOHULQV-QGZVFWFLSA-N 2 1 364.534 3.006 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3cn4ccccc4n3)cc2)CC1 ZINC000284214110 499070093 /nfs/dbraw/zinc/07/00/93/499070093.db2.gz ZRRBSPUNLJPRQK-UHFFFAOYSA-N 2 1 350.466 3.097 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000364075041 499108283 /nfs/dbraw/zinc/10/82/83/499108283.db2.gz IROSTQJFUYQLIF-CVAIRZPRSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000364075041 499108289 /nfs/dbraw/zinc/10/82/89/499108289.db2.gz IROSTQJFUYQLIF-CVAIRZPRSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cc(C(F)(F)F)ccn2)CC1 ZINC000366907221 499112398 /nfs/dbraw/zinc/11/23/98/499112398.db2.gz LLZQLXPMYDSLLW-UHFFFAOYSA-N 2 1 367.419 3.208 20 0 FGADMP c1cc(C[N@H+]2CCC[C@]23CCOC3)ccc1C[NH+]1CCC[C@@]12CCOC2 ZINC000366941233 499119836 /nfs/dbraw/zinc/11/98/36/499119836.db2.gz AMBQUGUGSBPGQG-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@@]23CCOC3)ccc1C[NH+]1CCC[C@]12CCOC2 ZINC000366941233 499119839 /nfs/dbraw/zinc/11/98/39/499119839.db2.gz AMBQUGUGSBPGQG-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP c1cc(C[N@H+]2CCC[C@@]23CCOC3)ccc1C[NH+]1CCC[C@]12CCOC2 ZINC000366941233 499119842 /nfs/dbraw/zinc/11/98/42/499119842.db2.gz AMBQUGUGSBPGQG-SZPZYZBQSA-N 2 1 356.510 3.196 20 0 FGADMP CN1CC[C@@H](C[N@H+](C)C[C@H](O)c2c(F)cccc2F)[C@@H]1c1cccnc1 ZINC000372520896 499137807 /nfs/dbraw/zinc/13/78/07/499137807.db2.gz HNBINBZJVQMEAI-QSFXBCCZSA-N 2 1 361.436 3.018 20 0 FGADMP CN1CC[C@@H](C[N@@H+](C)C[C@H](O)c2c(F)cccc2F)[C@@H]1c1cccnc1 ZINC000372520896 499137809 /nfs/dbraw/zinc/13/78/09/499137809.db2.gz HNBINBZJVQMEAI-QSFXBCCZSA-N 2 1 361.436 3.018 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1cc(F)ccc1F)CC2)C1CC1 ZINC000367310756 499178658 /nfs/dbraw/zinc/17/86/58/499178658.db2.gz UYPKAJDWMRDTAD-IFXJQAMLSA-N 2 1 350.453 3.195 20 0 FGADMP c1nc2n(c1C[NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCCC2 ZINC000367437857 499199122 /nfs/dbraw/zinc/19/91/22/499199122.db2.gz KADOQXTXINLRQF-CEWLAPEOSA-N 2 1 350.510 3.220 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502221 499226620 /nfs/dbraw/zinc/22/66/20/499226620.db2.gz AYQUPNZCPAPNNT-SFHVURJKSA-N 2 1 368.525 3.190 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502221 499226622 /nfs/dbraw/zinc/22/66/22/499226622.db2.gz AYQUPNZCPAPNNT-SFHVURJKSA-N 2 1 368.525 3.190 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502221 499226624 /nfs/dbraw/zinc/22/66/24/499226624.db2.gz AYQUPNZCPAPNNT-SFHVURJKSA-N 2 1 368.525 3.190 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502221 499226625 /nfs/dbraw/zinc/22/66/25/499226625.db2.gz AYQUPNZCPAPNNT-SFHVURJKSA-N 2 1 368.525 3.190 20 0 FGADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccco1 ZINC000370650506 499239857 /nfs/dbraw/zinc/23/98/57/499239857.db2.gz DSPPKHDRHGHFQP-IYWMVGAKSA-N 2 1 363.546 3.142 20 0 FGADMP NC(=O)c1cccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370650988 499239982 /nfs/dbraw/zinc/23/99/82/499239982.db2.gz OHCHWFIHUSYPNI-UHFFFAOYSA-N 2 1 363.505 3.274 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370698718 499245305 /nfs/dbraw/zinc/24/53/05/499245305.db2.gz JZOHPKNOMFLNKG-QAPCUYQASA-N 2 1 371.447 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(OC(F)(F)F)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370698718 499245306 /nfs/dbraw/zinc/24/53/06/499245306.db2.gz JZOHPKNOMFLNKG-QAPCUYQASA-N 2 1 371.447 3.043 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c2ccccc12 ZINC000370698971 499245837 /nfs/dbraw/zinc/24/58/37/499245837.db2.gz KISJEAGISXEUIV-XMSQKQJNSA-N 2 1 367.537 3.306 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370776373 499253505 /nfs/dbraw/zinc/25/35/05/499253505.db2.gz ZZNXWGJCRLANFH-PVAVHDDUSA-N 2 1 371.447 3.188 20 0 FGADMP CC[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000371088081 499287472 /nfs/dbraw/zinc/28/74/72/499287472.db2.gz CHZPBLCTRIKKON-QFIPXVFZSA-N 2 1 371.569 3.493 20 0 FGADMP Cc1ccc(F)c(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000371091784 499287893 /nfs/dbraw/zinc/28/78/93/499287893.db2.gz XBFIECVOJJZZQO-UHFFFAOYSA-N 2 1 361.505 3.060 20 0 FGADMP O=C(CC1CC[NH2+]CC1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371270571 499304577 /nfs/dbraw/zinc/30/45/77/499304577.db2.gz GAPDDYBFGDUASW-SFTDATJTSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cc1 ZINC000371320366 499310033 /nfs/dbraw/zinc/31/00/33/499310033.db2.gz CDOBQYYEZGSNPG-LJQANCHMSA-N 2 1 355.526 3.085 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000368604893 499312783 /nfs/dbraw/zinc/31/27/83/499312783.db2.gz WMPOZKILOUINRZ-GOSISDBHSA-N 2 1 358.530 3.095 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000371515786 499337096 /nfs/dbraw/zinc/33/70/96/499337096.db2.gz AQPIIZALGWMOHN-IPMKNSEASA-N 2 1 372.557 3.482 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CO2 ZINC000368877892 499342681 /nfs/dbraw/zinc/34/26/81/499342681.db2.gz XYYZZPWNYWCKJA-DLBZAZTESA-N 2 1 363.299 3.441 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CO2 ZINC000368877892 499342682 /nfs/dbraw/zinc/34/26/82/499342682.db2.gz XYYZZPWNYWCKJA-DLBZAZTESA-N 2 1 363.299 3.441 20 0 FGADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000369017755 499357825 /nfs/dbraw/zinc/35/78/25/499357825.db2.gz UXTBQGNQTBRXAU-UHFFFAOYSA-N 2 1 361.449 3.424 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369704243 499437910 /nfs/dbraw/zinc/43/79/10/499437910.db2.gz PJYHJPHRXXIPBM-IBGZPJMESA-N 2 1 352.482 3.397 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1Cc1c[nH]c2ccccc12 ZINC000369704243 499437911 /nfs/dbraw/zinc/43/79/11/499437911.db2.gz PJYHJPHRXXIPBM-IBGZPJMESA-N 2 1 352.482 3.397 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373386138 499466824 /nfs/dbraw/zinc/46/68/24/499466824.db2.gz RQOVPLQTIAKLFD-HLAWJBBLSA-N 2 1 368.525 3.160 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373386138 499466825 /nfs/dbraw/zinc/46/68/25/499466825.db2.gz RQOVPLQTIAKLFD-HLAWJBBLSA-N 2 1 368.525 3.160 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373386135 499466858 /nfs/dbraw/zinc/46/68/58/499466858.db2.gz RQOVPLQTIAKLFD-CEWLAPEOSA-N 2 1 368.525 3.160 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373386135 499466859 /nfs/dbraw/zinc/46/68/59/499466859.db2.gz RQOVPLQTIAKLFD-CEWLAPEOSA-N 2 1 368.525 3.160 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(=O)Nc1cccnc1Cl ZINC000375381840 499512226 /nfs/dbraw/zinc/51/22/26/499512226.db2.gz UGEHIYNASLVPPE-WBVHZDCISA-N 2 1 372.900 3.174 20 0 FGADMP C[N@@H+](Cc1cc(Br)cs1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425002 499515729 /nfs/dbraw/zinc/51/57/29/499515729.db2.gz FUOBBBSAOIRORZ-HNNXBMFYSA-N 2 1 372.376 3.111 20 0 FGADMP Cc1ncc(C[N@@H+]2CC[C@@H](NCC(=O)Nc3ccc(C)cc3)[C@@H](C)C2)s1 ZINC000375509485 499526966 /nfs/dbraw/zinc/52/69/66/499526966.db2.gz LAKZCQGGNCVPNO-HNAYVOBHSA-N 2 1 372.538 3.199 20 0 FGADMP Cc1ncc(C[N@H+]2CC[C@@H](NCC(=O)Nc3ccc(C)cc3)[C@@H](C)C2)s1 ZINC000375509485 499526967 /nfs/dbraw/zinc/52/69/67/499526967.db2.gz LAKZCQGGNCVPNO-HNAYVOBHSA-N 2 1 372.538 3.199 20 0 FGADMP C[C@@H]1CC(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C[C@@H](C)C1 ZINC000378543948 499530166 /nfs/dbraw/zinc/53/01/66/499530166.db2.gz KTCWOPDIRJXTBE-ROUUACIJSA-N 2 1 363.590 3.371 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654830 499542678 /nfs/dbraw/zinc/54/26/78/499542678.db2.gz KCESAEXKOSOUFG-JRGCBEDISA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654830 499542680 /nfs/dbraw/zinc/54/26/80/499542680.db2.gz KCESAEXKOSOUFG-JRGCBEDISA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654147 499542964 /nfs/dbraw/zinc/54/29/64/499542964.db2.gz HMMJQFSPWWUINM-RLLQIKCJSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654147 499542966 /nfs/dbraw/zinc/54/29/66/499542966.db2.gz HMMJQFSPWWUINM-RLLQIKCJSA-N 2 1 372.484 3.208 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000380460988 499543783 /nfs/dbraw/zinc/54/37/83/499543783.db2.gz PDHDXLZUJRPUNR-QFBILLFUSA-N 2 1 369.509 3.120 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000382724668 499546184 /nfs/dbraw/zinc/54/61/84/499546184.db2.gz RCNGBJKGQMIDAK-RTWAWAEBSA-N 2 1 357.542 3.265 20 0 FGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705808 499546908 /nfs/dbraw/zinc/54/69/08/499546908.db2.gz FGVLAWACRBHFAL-VXKWHMMOSA-N 2 1 368.521 3.155 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000383805260 499547150 /nfs/dbraw/zinc/54/71/50/499547150.db2.gz ZSDOBLPGCQDBHJ-HMXCVIKNSA-N 2 1 363.505 3.468 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)CC1 ZINC000375908400 499567608 /nfs/dbraw/zinc/56/76/08/499567608.db2.gz WVMSNZWQJOLQLA-KRWDZBQOSA-N 2 1 371.447 3.186 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167416 499588511 /nfs/dbraw/zinc/58/85/11/499588511.db2.gz QBXSHWJIGZDXFV-FUHWJXTLSA-N 2 1 360.546 3.340 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376167416 499588512 /nfs/dbraw/zinc/58/85/12/499588512.db2.gz QBXSHWJIGZDXFV-FUHWJXTLSA-N 2 1 360.546 3.340 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000376605640 499622337 /nfs/dbraw/zinc/62/23/37/499622337.db2.gz GRUUITFJFXFKAW-MKAJOQBOSA-N 2 1 364.578 3.010 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000376605640 499622339 /nfs/dbraw/zinc/62/23/39/499622339.db2.gz GRUUITFJFXFKAW-MKAJOQBOSA-N 2 1 364.578 3.010 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000376605640 499622340 /nfs/dbraw/zinc/62/23/40/499622340.db2.gz GRUUITFJFXFKAW-MKAJOQBOSA-N 2 1 364.578 3.010 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000573262535 506155974 /nfs/dbraw/zinc/15/59/74/506155974.db2.gz JHWIYCGSYLJOBL-MOPGFXCFSA-N 2 1 357.885 3.016 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000573262535 506155976 /nfs/dbraw/zinc/15/59/76/506155976.db2.gz JHWIYCGSYLJOBL-MOPGFXCFSA-N 2 1 357.885 3.016 20 0 FGADMP CCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000411166660 499705462 /nfs/dbraw/zinc/70/54/62/499705462.db2.gz MJRQZBTUERPGKN-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000411166660 499705464 /nfs/dbraw/zinc/70/54/64/499705464.db2.gz MJRQZBTUERPGKN-FQEVSTJZSA-N 2 1 364.555 3.072 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCn3c(C)[nH+]cc3C2)cc1 ZINC000377658149 499716444 /nfs/dbraw/zinc/71/64/44/499716444.db2.gz WTNZDUNXYUQDKU-KRWDZBQOSA-N 2 1 370.497 3.113 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC([C@@H](O)c3ncc[nH]3)CC2)cc1 ZINC000377690031 499720265 /nfs/dbraw/zinc/72/02/65/499720265.db2.gz CLCRETQNDKWAOF-FOIQADDNSA-N 2 1 365.481 3.410 20 0 FGADMP CN1CCN([C@@H]2CCCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693290 499720681 /nfs/dbraw/zinc/72/06/81/499720681.db2.gz KFWWNCKALQNMCY-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693290 499720683 /nfs/dbraw/zinc/72/06/83/499720683.db2.gz KFWWNCKALQNMCY-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377693290 499720684 /nfs/dbraw/zinc/72/06/84/499720684.db2.gz KFWWNCKALQNMCY-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401795 499734950 /nfs/dbraw/zinc/73/49/50/499734950.db2.gz RHRMNIVFGULDLB-XPWALMASSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411401795 499734951 /nfs/dbraw/zinc/73/49/51/499734951.db2.gz RHRMNIVFGULDLB-XPWALMASSA-N 3 1 371.569 3.356 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000377817171 499738190 /nfs/dbraw/zinc/73/81/90/499738190.db2.gz PYDYZKGCGWJFGT-LJQANCHMSA-N 2 1 352.482 3.428 20 0 FGADMP O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544407 499753002 /nfs/dbraw/zinc/75/30/02/499753002.db2.gz NNCCRZFXXYULLE-RTWAWAEBSA-N 2 1 356.510 3.243 20 0 FGADMP O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544407 499753004 /nfs/dbraw/zinc/75/30/04/499753004.db2.gz NNCCRZFXXYULLE-RTWAWAEBSA-N 2 1 356.510 3.243 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414131747 499763436 /nfs/dbraw/zinc/76/34/36/499763436.db2.gz YKJBJLXWZSCNSJ-SCTDSRPQSA-N 2 1 363.933 3.153 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@]2(CCOC2)O1 ZINC000411665402 499774930 /nfs/dbraw/zinc/77/49/30/499774930.db2.gz KAPMBKGBZBQVTI-YADHBBJMSA-N 2 1 358.526 3.442 20 0 FGADMP Cc1cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414338673 499778902 /nfs/dbraw/zinc/77/89/02/499778902.db2.gz YYQNZPFPUUFATG-UHFFFAOYSA-N 2 1 357.464 3.377 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1C(F)(F)F ZINC000414411158 499788290 /nfs/dbraw/zinc/78/82/90/499788290.db2.gz PHGJMAOYCCPQFB-APWZRJJASA-N 2 1 369.475 3.472 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC(C)(C)C[C@H]1C ZINC000412043262 499816179 /nfs/dbraw/zinc/81/61/79/499816179.db2.gz NHZKGDCHQMCGDC-MSOLQXFVSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694687 499821115 /nfs/dbraw/zinc/82/11/15/499821115.db2.gz DPHXWPYQUMKBAV-HNNXBMFYSA-N 2 1 372.340 3.401 20 0 FGADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752563 499826908 /nfs/dbraw/zinc/82/69/08/499826908.db2.gz UTTRMVMHUFIYAQ-NVXWUHKLSA-N 2 1 350.482 3.033 20 0 FGADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000414752563 499826909 /nfs/dbraw/zinc/82/69/09/499826909.db2.gz UTTRMVMHUFIYAQ-NVXWUHKLSA-N 2 1 350.482 3.033 20 0 FGADMP CCC[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000414755160 499827141 /nfs/dbraw/zinc/82/71/41/499827141.db2.gz YZQLEODARXVCSQ-MOPGFXCFSA-N 2 1 357.542 3.391 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414810269 499833394 /nfs/dbraw/zinc/83/33/94/499833394.db2.gz VESHWBFOMBPURF-HIFRSBDPSA-N 2 1 363.303 3.446 20 0 FGADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000414839292 499836512 /nfs/dbraw/zinc/83/65/12/499836512.db2.gz MDNNIBQSUPPKBK-GFCCVEGCSA-N 2 1 365.319 3.197 20 0 FGADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842274 499836884 /nfs/dbraw/zinc/83/68/84/499836884.db2.gz OFHBPYIPMFHNFX-JSGCOSHPSA-N 2 1 361.408 3.265 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000414917600 499844521 /nfs/dbraw/zinc/84/45/21/499844521.db2.gz RUXVYDRYTZIGCK-CRAIPNDOSA-N 2 1 355.486 3.304 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414928562 499845423 /nfs/dbraw/zinc/84/54/23/499845423.db2.gz NLTMQIWUPBDNAL-CXAGYDPISA-N 2 1 367.921 3.434 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C)c2)cc1 ZINC000414941331 499847022 /nfs/dbraw/zinc/84/70/22/499847022.db2.gz LNZRPLHRTPECTN-MGPUTAFESA-N 2 1 353.466 3.035 20 0 FGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1OC(F)F ZINC000414955638 499848873 /nfs/dbraw/zinc/84/88/73/499848873.db2.gz MISAXJZTUPSSFG-MFKMUULPSA-N 2 1 363.246 3.447 20 0 FGADMP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000412382236 499850262 /nfs/dbraw/zinc/85/02/62/499850262.db2.gz CGXWKQBWQPHVSF-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382236 499850263 /nfs/dbraw/zinc/85/02/63/499850263.db2.gz CGXWKQBWQPHVSF-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382236 499850264 /nfs/dbraw/zinc/85/02/64/499850264.db2.gz CGXWKQBWQPHVSF-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000415100443 499863448 /nfs/dbraw/zinc/86/34/48/499863448.db2.gz AHWKUJHORSBTQI-ZFWWWQNUSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104522 499864081 /nfs/dbraw/zinc/86/40/81/499864081.db2.gz HAZHHMKHAPFCGT-YKNILIKBSA-N 2 1 352.478 3.328 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104522 499864084 /nfs/dbraw/zinc/86/40/84/499864084.db2.gz HAZHHMKHAPFCGT-YKNILIKBSA-N 2 1 352.478 3.328 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000415111377 499865240 /nfs/dbraw/zinc/86/52/40/499865240.db2.gz QVBCNRDYINPVPA-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C(C)C ZINC000415120666 499866181 /nfs/dbraw/zinc/86/61/81/499866181.db2.gz JAHDTTDRGKTEMG-RCCFBDPRSA-N 2 1 366.571 3.247 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000415887794 499924749 /nfs/dbraw/zinc/92/47/49/499924749.db2.gz YIYPVAISDGNCHK-UHFFFAOYSA-N 2 1 370.541 3.452 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000415899135 499925910 /nfs/dbraw/zinc/92/59/10/499925910.db2.gz JATZQHMUTHAVDL-VQIMIIECSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000415911550 499927386 /nfs/dbraw/zinc/92/73/86/499927386.db2.gz JUIUTIJUNDBHER-LJQANCHMSA-N 2 1 366.509 3.092 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415910049 499927455 /nfs/dbraw/zinc/92/74/55/499927455.db2.gz AVNFCQBLWZYJSI-DYESRHJHSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2CCc3sccc3C2)c1 ZINC000415932835 499930136 /nfs/dbraw/zinc/93/01/36/499930136.db2.gz MYVPJHGDGDWBMS-UHFFFAOYSA-N 2 1 358.511 3.037 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCc3sccc3C2)c1 ZINC000415932835 499930139 /nfs/dbraw/zinc/93/01/39/499930139.db2.gz MYVPJHGDGDWBMS-UHFFFAOYSA-N 2 1 358.511 3.037 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000415942217 499931156 /nfs/dbraw/zinc/93/11/56/499931156.db2.gz IRMNUNWPLVADFA-OXQOHEQNSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)cc1 ZINC000415974190 499935814 /nfs/dbraw/zinc/93/58/14/499935814.db2.gz QERVMCLSMOGZHF-UZLBHIALSA-N 2 1 352.482 3.363 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)[NH+](C)C ZINC000416121644 499950351 /nfs/dbraw/zinc/95/03/51/499950351.db2.gz HFALVTUXYJWECH-WOJBJXKFSA-N 2 1 369.509 3.107 20 0 FGADMP C[C@H](NC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(C)(C)C[NH+](C)C ZINC000428955849 499968124 /nfs/dbraw/zinc/96/81/24/499968124.db2.gz WINWUYSDJMJBLH-KRWDZBQOSA-N 2 1 374.573 3.099 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000413507851 499974810 /nfs/dbraw/zinc/97/48/10/499974810.db2.gz TWDPOZCQOCBSRY-GHTZIAJQSA-N 2 1 357.542 3.475 20 0 FGADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416214409 499983638 /nfs/dbraw/zinc/98/36/38/499983638.db2.gz BLAINYMJMCLCGC-RBBKRZOGSA-N 2 1 365.521 3.318 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416216094 499984659 /nfs/dbraw/zinc/98/46/59/499984659.db2.gz AKMNGLFQYWCSJY-HXUWFJFHSA-N 2 1 367.493 3.453 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425002023 499988321 /nfs/dbraw/zinc/98/83/21/499988321.db2.gz FALNVRZCYWIJMX-VQTJNVASSA-N 2 1 366.509 3.130 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425002023 499988326 /nfs/dbraw/zinc/98/83/26/499988326.db2.gz FALNVRZCYWIJMX-VQTJNVASSA-N 2 1 366.509 3.130 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079777 499999810 /nfs/dbraw/zinc/99/98/10/499999810.db2.gz BFMXWCPXZXJNTP-CZOVOBHWSA-N 2 1 372.557 3.242 20 0 FGADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624266 500006076 /nfs/dbraw/zinc/00/60/76/500006076.db2.gz JHTGGKIOHBIURA-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417218563 500008070 /nfs/dbraw/zinc/00/80/70/500008070.db2.gz LKYATMGNHOZXMR-KRWDZBQOSA-N 2 1 360.546 3.106 20 0 FGADMP CC(C)[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccsc1 ZINC000421371183 500030166 /nfs/dbraw/zinc/03/01/66/500030166.db2.gz KMJUMJCGHPOWCF-INIZCTEOSA-N 2 1 359.543 3.262 20 0 FGADMP CC(C)[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@@H](C)c1ccsc1 ZINC000421371183 500030168 /nfs/dbraw/zinc/03/01/68/500030168.db2.gz KMJUMJCGHPOWCF-INIZCTEOSA-N 2 1 359.543 3.262 20 0 FGADMP Cc1ccc(C)c(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000429287350 500043212 /nfs/dbraw/zinc/04/32/12/500043212.db2.gz TVBKSNSXGXPITG-OAQYLSRUSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1ccc(C)c(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000429287350 500043214 /nfs/dbraw/zinc/04/32/14/500043214.db2.gz TVBKSNSXGXPITG-OAQYLSRUSA-N 2 1 353.510 3.154 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1(O)CCOCC1 ZINC000417350995 500046093 /nfs/dbraw/zinc/04/60/93/500046093.db2.gz ATTXRQYFJVPJEV-QHAWAJNXSA-N 2 1 372.553 3.054 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCN(CC(F)F)C2)CC1 ZINC000417363186 500049973 /nfs/dbraw/zinc/04/99/73/500049973.db2.gz AOWKXXOCIPTSSQ-JLAWEPINSA-N 2 1 351.485 3.359 20 0 FGADMP FC(F)CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417385305 500056478 /nfs/dbraw/zinc/05/64/78/500056478.db2.gz LYROTRDAGPGRGY-VNTMZGSJSA-N 2 1 363.496 3.216 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399809 500069792 /nfs/dbraw/zinc/06/97/92/500069792.db2.gz XNDDCDFDSAFTDJ-GUYCJALGSA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1c2cccc(Br)c2CC1(C)C)C1CC1 ZINC000429399809 500069796 /nfs/dbraw/zinc/06/97/96/500069796.db2.gz XNDDCDFDSAFTDJ-GUYCJALGSA-N 2 1 367.331 3.117 20 0 FGADMP Cc1cnccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000582281769 506174952 /nfs/dbraw/zinc/17/49/52/506174952.db2.gz IUCSKGJYPCOPIF-JOCHJYFZSA-N 2 1 365.521 3.408 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544555 500097947 /nfs/dbraw/zinc/09/79/47/500097947.db2.gz YQTGOIYIKJMVHB-HUUCEWRRSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000429544555 500097951 /nfs/dbraw/zinc/09/79/51/500097951.db2.gz YQTGOIYIKJMVHB-HUUCEWRRSA-N 2 1 361.313 3.149 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429558938 500102493 /nfs/dbraw/zinc/10/24/93/500102493.db2.gz NKRJWCMSRDAJNN-UXHICEINSA-N 2 1 362.558 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429558938 500102496 /nfs/dbraw/zinc/10/24/96/500102496.db2.gz NKRJWCMSRDAJNN-UXHICEINSA-N 2 1 362.558 3.448 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(F)c1C ZINC000417545589 500103356 /nfs/dbraw/zinc/10/33/56/500103356.db2.gz XWZPZRHCEAOMNR-HNNXBMFYSA-N 2 1 368.472 3.153 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)C[C@H]2c2ccccc2)CC1 ZINC000425544658 500140552 /nfs/dbraw/zinc/14/05/52/500140552.db2.gz RCQXZARGLCUFNF-FQEVSTJZSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000416861541 500140752 /nfs/dbraw/zinc/14/07/52/500140752.db2.gz XCALEMXQHJVDOE-IFXJQAMLSA-N 2 1 374.916 3.462 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2ccc(OC)cc2F)C2CC2)CC1 ZINC000421820746 500159043 /nfs/dbraw/zinc/15/90/43/500159043.db2.gz NOTFNIPCIZXUNA-OAQYLSRUSA-N 2 1 363.521 3.293 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830973 500160918 /nfs/dbraw/zinc/16/09/18/500160918.db2.gz CEKCZQKPKNWRHZ-QHAWAJNXSA-N 2 1 364.505 3.499 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970203 500170154 /nfs/dbraw/zinc/17/01/54/500170154.db2.gz NCJZZPPMLKBUHY-MOPGFXCFSA-N 2 1 372.557 3.107 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416984986 500175667 /nfs/dbraw/zinc/17/56/67/500175667.db2.gz YHOQYYPWBRAHGN-MOPGFXCFSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000416984991 500175739 /nfs/dbraw/zinc/17/57/39/500175739.db2.gz YHOQYYPWBRAHGN-RBUKOAKNSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416992154 500177889 /nfs/dbraw/zinc/17/78/89/500177889.db2.gz OSUDQKOPERDKEE-NYUBLWNDSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000417826277 500179909 /nfs/dbraw/zinc/17/99/09/500179909.db2.gz BZMFAKQSQGUABI-DUXKGJEZSA-N 2 1 366.509 3.039 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417835737 500181132 /nfs/dbraw/zinc/18/11/32/500181132.db2.gz LDHMYGSWROQHAY-DUXKGJEZSA-N 2 1 372.557 3.246 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000417859680 500185797 /nfs/dbraw/zinc/18/57/97/500185797.db2.gz SGWKWDFIKMPJEL-MRXNPFEDSA-N 2 1 369.513 3.273 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417923209 500198754 /nfs/dbraw/zinc/19/87/54/500198754.db2.gz KLMYVWYJJSJPFT-YZGWKJHDSA-N 2 1 360.546 3.104 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CCC[C@@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417935039 500200420 /nfs/dbraw/zinc/20/04/20/500200420.db2.gz ZCSRNPKFAZLJKB-HLAWJBBLSA-N 2 1 372.557 3.058 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035343 500203123 /nfs/dbraw/zinc/20/31/23/500203123.db2.gz LCVGWFTXNJQZBP-MSOLQXFVSA-N 2 1 358.530 3.046 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035343 500203126 /nfs/dbraw/zinc/20/31/26/500203126.db2.gz LCVGWFTXNJQZBP-MSOLQXFVSA-N 2 1 358.530 3.046 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472094 506182450 /nfs/dbraw/zinc/18/24/50/506182450.db2.gz AEDNCSGNHCDAQY-LEWJYISDSA-N 3 1 359.558 3.130 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579472094 506182455 /nfs/dbraw/zinc/18/24/55/506182455.db2.gz AEDNCSGNHCDAQY-LEWJYISDSA-N 3 1 359.558 3.130 20 0 FGADMP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987411 500209762 /nfs/dbraw/zinc/20/97/62/500209762.db2.gz HSXTZTHAXPCDOG-HOTGVXAUSA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)NCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417987411 500209765 /nfs/dbraw/zinc/20/97/65/500209765.db2.gz HSXTZTHAXPCDOG-HOTGVXAUSA-N 2 1 370.900 3.041 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217717 500210634 /nfs/dbraw/zinc/21/06/34/500210634.db2.gz LGYFTEVWYTUJIX-RBBKRZOGSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217717 500210636 /nfs/dbraw/zinc/21/06/36/500210636.db2.gz LGYFTEVWYTUJIX-RBBKRZOGSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CCC[NH+](C)C1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217717 500210638 /nfs/dbraw/zinc/21/06/38/500210638.db2.gz LGYFTEVWYTUJIX-RBBKRZOGSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418046184 500219826 /nfs/dbraw/zinc/21/98/26/500219826.db2.gz PYWGWQBNRDBZIS-PZJWPPBQSA-N 2 1 360.546 3.056 20 0 FGADMP CCCN(C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418130228 500234220 /nfs/dbraw/zinc/23/42/20/500234220.db2.gz BVYSCYHPLVWGJT-OAQYLSRUSA-N 2 1 372.557 3.071 20 0 FGADMP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143589 500236309 /nfs/dbraw/zinc/23/63/09/500236309.db2.gz QRBKBLAHDDKSRU-NRFANRHFSA-N 2 1 372.557 3.344 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175460 500243032 /nfs/dbraw/zinc/24/30/32/500243032.db2.gz FWXHRCWCAMTOOZ-MAUKXSAKSA-N 2 1 366.937 3.022 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176940 500243440 /nfs/dbraw/zinc/24/34/40/500243440.db2.gz HLTKOQLGHKFABF-MJGOQNOKSA-N 2 1 366.937 3.103 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CCC(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000418183364 500244297 /nfs/dbraw/zinc/24/42/97/500244297.db2.gz OKZYYFDFNOLPIR-GOSISDBHSA-N 2 1 366.937 3.103 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418193364 500246928 /nfs/dbraw/zinc/24/69/28/500246928.db2.gz ZLXPFGAQKXAYRJ-BMGDILEWSA-N 2 1 366.937 3.150 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])ccc2c1 ZINC000430546149 500251792 /nfs/dbraw/zinc/25/17/92/500251792.db2.gz JCYFGURVMJOTGT-MRXNPFEDSA-N 2 1 371.525 3.112 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])ccc2c1 ZINC000430546149 500251793 /nfs/dbraw/zinc/25/17/93/500251793.db2.gz JCYFGURVMJOTGT-MRXNPFEDSA-N 2 1 371.525 3.112 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2csc(CCc3ccccc3)n2)CC1 ZINC000430590648 500259534 /nfs/dbraw/zinc/25/95/34/500259534.db2.gz IBBCEILRQJSKJH-UHFFFAOYSA-N 2 1 359.539 3.258 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418327850 500263266 /nfs/dbraw/zinc/26/32/66/500263266.db2.gz ZXMMQPTYBNFXFN-HXUWFJFHSA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000418345468 500266023 /nfs/dbraw/zinc/26/60/23/500266023.db2.gz HAPBJPOWGLOZPS-JIRNRHONSA-N 2 1 358.530 3.076 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000430707559 500273204 /nfs/dbraw/zinc/27/32/04/500273204.db2.gz XVIZDCKCHBBOCX-VCOUNFBDSA-N 2 1 371.569 3.211 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000418430059 500275290 /nfs/dbraw/zinc/27/52/90/500275290.db2.gz UFTPFEJZZTZGQQ-IEBWSBKVSA-N 2 1 352.567 3.046 20 0 FGADMP O=C(CC1CC[NH2+]CC1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000430722333 500275367 /nfs/dbraw/zinc/27/53/67/500275367.db2.gz FIVXLTSRCZBDSB-LJQANCHMSA-N 2 1 363.933 3.200 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000430730952 500276557 /nfs/dbraw/zinc/27/65/57/500276557.db2.gz UIPOPPPWYKNFQW-IIBYNOLFSA-N 2 1 367.493 3.037 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418453774 500278194 /nfs/dbraw/zinc/27/81/94/500278194.db2.gz ZLSSVTGNOLYCBT-SXLOBPIMSA-N 2 1 360.546 3.198 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418458370 500279297 /nfs/dbraw/zinc/27/92/97/500279297.db2.gz FMVCBQMKWIKCBV-VQTJNVASSA-N 2 1 360.546 3.058 20 0 FGADMP C(N[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1([NH+]2CCSCC2)CCCCC1 ZINC000422711616 500288546 /nfs/dbraw/zinc/28/85/46/500288546.db2.gz MZVJFTQXRBFXDD-CEXWTWQISA-N 2 1 351.604 3.248 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721867 500290292 /nfs/dbraw/zinc/29/02/92/500290292.db2.gz WFDBEUMCWQOURP-SSGKUCQKSA-N 3 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721867 500290294 /nfs/dbraw/zinc/29/02/94/500290294.db2.gz WFDBEUMCWQOURP-SSGKUCQKSA-N 2 1 355.570 3.451 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](CN[C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000422721867 500290296 /nfs/dbraw/zinc/29/02/96/500290296.db2.gz WFDBEUMCWQOURP-SSGKUCQKSA-N 2 1 355.570 3.451 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)nc1 ZINC000422793384 500298242 /nfs/dbraw/zinc/29/82/42/500298242.db2.gz YBSMXWSDMLBCOL-RTWAWAEBSA-N 2 1 350.510 3.442 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1cccc(Br)c1 ZINC000422800210 500299564 /nfs/dbraw/zinc/29/95/64/500299564.db2.gz ZOLFGZZXODQUHB-NEPJUHHUSA-N 2 1 350.260 3.375 20 0 FGADMP N[C@@H]1CCCCC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817992 500301933 /nfs/dbraw/zinc/30/19/33/500301933.db2.gz JBMWALVUYQLAEJ-FGZHOGPDSA-N 2 1 359.558 3.307 20 0 FGADMP CCC[C@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418664827 500304019 /nfs/dbraw/zinc/30/40/19/500304019.db2.gz BBWUCBQHJWJJFK-QUCCMNQESA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418665361 500304026 /nfs/dbraw/zinc/30/40/26/500304026.db2.gz CAGCFYHIHKCMNR-ROUUACIJSA-N 2 1 352.567 3.190 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422840452 500304147 /nfs/dbraw/zinc/30/41/47/500304147.db2.gz SYHGLNMDXBSXHA-NVXWUHKLSA-N 3 1 358.555 3.473 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422840452 500304150 /nfs/dbraw/zinc/30/41/50/500304150.db2.gz SYHGLNMDXBSXHA-NVXWUHKLSA-N 3 1 358.555 3.473 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422843699 500305012 /nfs/dbraw/zinc/30/50/12/500305012.db2.gz JFTZXZZADUWEDD-GIVPXCGWSA-N 2 1 357.542 3.121 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000422849023 500305405 /nfs/dbraw/zinc/30/54/05/500305405.db2.gz LAMTXQNERPXYNC-RYQLBKOJSA-N 2 1 358.530 3.079 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000418678507 500306545 /nfs/dbraw/zinc/30/65/45/500306545.db2.gz VPBXJQOPMRCUHH-ICSRJNTNSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000418678433 500306645 /nfs/dbraw/zinc/30/66/45/500306645.db2.gz CKCAPESTJKMLCM-WTGUMLROSA-N 2 1 364.578 3.048 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2csc(-c3cccc(OC)c3OC)n2)CC1 ZINC000430925623 500307727 /nfs/dbraw/zinc/30/77/27/500307727.db2.gz LIYYQAKLSHVOBZ-UHFFFAOYSA-N 2 1 361.511 3.259 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418687592 500308169 /nfs/dbraw/zinc/30/81/69/500308169.db2.gz DNJBEGCUPJRDEN-QWFCFKBJSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422874801 500308905 /nfs/dbraw/zinc/30/89/05/500308905.db2.gz DFDVXLDVVNJIAC-DBQOQBPJSA-N 3 1 359.558 3.006 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430932328 500309286 /nfs/dbraw/zinc/30/92/86/500309286.db2.gz DZMUFHBPDSURGG-WRWLIDTKSA-N 2 1 357.523 3.013 20 0 FGADMP C[C@@H](NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1)[C@H](C)[NH3+] ZINC000418701413 500309693 /nfs/dbraw/zinc/30/96/93/500309693.db2.gz GGYQOPLZRFZDJF-RBUKOAKNSA-N 2 1 368.525 3.066 20 0 FGADMP COC1CCN(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CCCC2)CC1 ZINC000422888278 500310864 /nfs/dbraw/zinc/31/08/64/500310864.db2.gz MJSGNGAAVJUWCN-PCCBWWKXSA-N 2 1 363.590 3.310 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000430954173 500313196 /nfs/dbraw/zinc/31/31/96/500313196.db2.gz DVXYOKQAXVMSRX-UHFFFAOYSA-N 2 1 363.246 3.482 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@H](C[NH3+])C2)cc1 ZINC000430965277 500314311 /nfs/dbraw/zinc/31/43/11/500314311.db2.gz IMHIMWLUGWYVTJ-QGZVFWFLSA-N 2 1 362.477 3.329 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c(C(F)(F)F)c2)n1 ZINC000422907607 500314528 /nfs/dbraw/zinc/31/45/28/500314528.db2.gz XFDAHOKNCKBEEE-SJORKVTESA-N 2 1 352.404 3.477 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909978 500315738 /nfs/dbraw/zinc/31/57/38/500315738.db2.gz HCDWNEMSSHTUQA-WMZHIEFXSA-N 3 1 367.537 3.209 20 0 FGADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000422909978 500315741 /nfs/dbraw/zinc/31/57/41/500315741.db2.gz HCDWNEMSSHTUQA-WMZHIEFXSA-N 2 1 367.537 3.209 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915283 500316384 /nfs/dbraw/zinc/31/63/84/500316384.db2.gz APVCFNKVJAVHQE-BHIFYINESA-N 2 1 356.558 3.157 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422937625 500319563 /nfs/dbraw/zinc/31/95/63/500319563.db2.gz OLTBUFMMKLIJNO-HYVNUMGLSA-N 2 1 353.304 3.468 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000431059782 500330044 /nfs/dbraw/zinc/33/00/44/500330044.db2.gz CGSDPGKQXMMONZ-FGTMMUONSA-N 2 1 370.541 3.086 20 0 FGADMP CCOc1ccc(Cl)cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423011013 500330943 /nfs/dbraw/zinc/33/09/43/500330943.db2.gz HYFKBHKNSALXIQ-KZNAEPCWSA-N 2 1 352.906 3.028 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cc2)C[C@H]1C ZINC000423019164 500331837 /nfs/dbraw/zinc/33/18/37/500331837.db2.gz UHLKEWFKEZGZGY-ISHFTEKXSA-N 3 1 373.585 3.173 20 0 FGADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025138 500332403 /nfs/dbraw/zinc/33/24/03/500332403.db2.gz KTJMEJQFMIKPSM-RZFNWQHOSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025138 500332407 /nfs/dbraw/zinc/33/24/07/500332407.db2.gz KTJMEJQFMIKPSM-RZFNWQHOSA-N 2 1 365.521 3.352 20 0 FGADMP CCC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431094227 500335120 /nfs/dbraw/zinc/33/51/20/500335120.db2.gz AIBTWAQPZHKYNJ-OAHLLOKOSA-N 2 1 351.922 3.323 20 0 FGADMP CCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431094227 500335123 /nfs/dbraw/zinc/33/51/23/500335123.db2.gz AIBTWAQPZHKYNJ-OAHLLOKOSA-N 2 1 351.922 3.323 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423060408 500336954 /nfs/dbraw/zinc/33/69/54/500336954.db2.gz IBHHNNMQIJHAAE-ZHRRBRCNSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423060408 500336956 /nfs/dbraw/zinc/33/69/56/500336956.db2.gz IBHHNNMQIJHAAE-ZHRRBRCNSA-N 2 1 352.526 3.410 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)cc1Cl ZINC000426955964 500338972 /nfs/dbraw/zinc/33/89/72/500338972.db2.gz SVVPJXLEIANQHW-INIZCTEOSA-N 2 1 351.922 3.137 20 0 FGADMP Fc1cc(C(F)(F)F)c(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423124127 500345447 /nfs/dbraw/zinc/34/54/47/500345447.db2.gz MCKSLFKTBSVPFC-HFBAOOFYSA-N 2 1 364.358 3.230 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126587 500345888 /nfs/dbraw/zinc/34/58/88/500345888.db2.gz BBUBMADODMESMN-FDFHNCONSA-N 3 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126587 500345889 /nfs/dbraw/zinc/34/58/89/500345889.db2.gz BBUBMADODMESMN-FDFHNCONSA-N 2 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126587 500345890 /nfs/dbraw/zinc/34/58/90/500345890.db2.gz BBUBMADODMESMN-FDFHNCONSA-N 2 1 371.569 3.022 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000419286356 500349623 /nfs/dbraw/zinc/34/96/23/500349623.db2.gz FNPJHAFYWXVRNY-QRWLVFNGSA-N 2 1 359.489 3.094 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH2+]Cc2cccnc2)C3)cc1 ZINC000423182795 500352755 /nfs/dbraw/zinc/35/27/55/500352755.db2.gz FNCBLEJJEVCHTO-WBDAEOGXSA-N 2 1 364.537 3.347 20 0 FGADMP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCC1 ZINC000423191929 500353215 /nfs/dbraw/zinc/35/32/15/500353215.db2.gz UENKMSAIAFIGBE-BMGDILEWSA-N 2 1 350.453 3.133 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427124862 500356602 /nfs/dbraw/zinc/35/66/02/500356602.db2.gz WWJCFAKQMJCDSG-GHTZIAJQSA-N 2 1 365.477 3.131 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)cc1 ZINC000427124862 500356604 /nfs/dbraw/zinc/35/66/04/500356604.db2.gz WWJCFAKQMJCDSG-GHTZIAJQSA-N 2 1 365.477 3.131 20 0 FGADMP CN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000427177688 500363398 /nfs/dbraw/zinc/36/33/98/500363398.db2.gz IIOKRKWQCZCOTI-FQEVSTJZSA-N 2 1 357.542 3.231 20 0 FGADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423316160 500363417 /nfs/dbraw/zinc/36/34/17/500363417.db2.gz YBJWQNZDYCQMRK-HRXKGBARSA-N 3 1 353.554 3.393 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1 ZINC000423382217 500368789 /nfs/dbraw/zinc/36/87/89/500368789.db2.gz ODGHZPZFZBQBGA-QGZVFWFLSA-N 2 1 351.494 3.443 20 0 FGADMP C[C@@H](c1ccc(NC(=O)[C@@H]([NH3+])CC2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000423389454 500369552 /nfs/dbraw/zinc/36/95/52/500369552.db2.gz VATKGFULHVFYSM-JXFKEZNVSA-N 2 1 359.514 3.316 20 0 FGADMP COc1cccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)c1 ZINC000431655076 500403745 /nfs/dbraw/zinc/40/37/45/500403745.db2.gz WGZZQMFTDMQPJQ-CTNGQTDRSA-N 2 1 373.541 3.213 20 0 FGADMP CC(C)(C[NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423814436 500404763 /nfs/dbraw/zinc/40/47/63/500404763.db2.gz UABFMJXEJYBECO-UHFFFAOYSA-N 2 1 358.313 3.059 20 0 FGADMP CC[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000423828927 500407888 /nfs/dbraw/zinc/40/78/88/500407888.db2.gz SHJLJPLLBLXSBQ-OTYNDTSQSA-N 2 1 355.526 3.030 20 0 FGADMP [NH3+]C1(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCCCC1 ZINC000423914461 500419025 /nfs/dbraw/zinc/41/90/25/500419025.db2.gz XXGGPQXHVAPLRY-UXHICEINSA-N 2 1 355.526 3.161 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000431793931 500425919 /nfs/dbraw/zinc/42/59/19/500425919.db2.gz IOVXSGDDNQFARC-YTQUADARSA-N 2 1 363.550 3.027 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000420261127 500430124 /nfs/dbraw/zinc/43/01/24/500430124.db2.gz OUTIBERYFYIXBX-JKSUJKDBSA-N 2 1 353.466 3.074 20 0 FGADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000420270865 500431722 /nfs/dbraw/zinc/43/17/22/500431722.db2.gz JVODJVVLIBUXKF-HXUWFJFHSA-N 2 1 357.523 3.028 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)cc1 ZINC000420293764 500434877 /nfs/dbraw/zinc/43/48/77/500434877.db2.gz AJXWBSNSGAWYCJ-OFNKIYASSA-N 2 1 368.521 3.500 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCCO)[C@H]2CCc3ccccc32)cc1 ZINC000420303063 500437770 /nfs/dbraw/zinc/43/77/70/500437770.db2.gz NAJMPDCQGOHLHQ-UGKGYDQZSA-N 2 1 354.494 3.109 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431903066 500441490 /nfs/dbraw/zinc/44/14/90/500441490.db2.gz MNKCMZOBCXPAST-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420324855 500441670 /nfs/dbraw/zinc/44/16/70/500441670.db2.gz HROLGVIFKYODJB-HZPDHXFCSA-N 2 1 360.889 3.254 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324625 500441775 /nfs/dbraw/zinc/44/17/75/500441775.db2.gz HLAUOAOGWDZMQS-VSZNYVQBSA-N 2 1 361.555 3.122 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccc2)C[C@H]2CCCO2)cc1 ZINC000420323894 500441885 /nfs/dbraw/zinc/44/18/85/500441885.db2.gz UOSQXGXLYAYHCZ-IFMALSPDSA-N 2 1 354.494 3.419 20 0 FGADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000420341053 500444741 /nfs/dbraw/zinc/44/47/41/500444741.db2.gz NONIIEQULZFMJY-INIZCTEOSA-N 2 1 355.404 3.108 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344434 500445683 /nfs/dbraw/zinc/44/56/83/500445683.db2.gz SXPVTJPAZCAWTO-HZSPNIEDSA-N 2 1 353.869 3.128 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000420370023 500449131 /nfs/dbraw/zinc/44/91/31/500449131.db2.gz JIUJJUHSBZKPEI-QGZVFWFLSA-N 2 1 362.537 3.008 20 0 FGADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccccc1Br)C1CCCCC1 ZINC000420368314 500449551 /nfs/dbraw/zinc/44/95/51/500449551.db2.gz NNOIRFWEPBEKBN-MRXNPFEDSA-N 2 1 368.319 3.275 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1 ZINC000420379586 500450939 /nfs/dbraw/zinc/45/09/39/500450939.db2.gz BFPVKEHMNXFKEJ-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420393729 500454635 /nfs/dbraw/zinc/45/46/35/500454635.db2.gz QUPCAYJRLSBNNW-UZLBHIALSA-N 2 1 353.466 3.050 20 0 FGADMP C[C@H](c1cccc(NC(=O)c2ccccc2)c1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420393729 500454636 /nfs/dbraw/zinc/45/46/36/500454636.db2.gz QUPCAYJRLSBNNW-UZLBHIALSA-N 2 1 353.466 3.050 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C1 ZINC000420395895 500454670 /nfs/dbraw/zinc/45/46/70/500454670.db2.gz UUAHFZSJWNOWHE-YJBOKZPZSA-N 2 1 359.445 3.199 20 0 FGADMP C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000420400154 500455237 /nfs/dbraw/zinc/45/52/37/500455237.db2.gz IJEATHPHJPYQKL-WIYYLYMNSA-N 2 1 365.521 3.199 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407022 500456945 /nfs/dbraw/zinc/45/69/45/500456945.db2.gz VCRHLPMDMOZEBM-NXHRZFHOSA-N 2 1 361.555 3.048 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407022 500456947 /nfs/dbraw/zinc/45/69/47/500456947.db2.gz VCRHLPMDMOZEBM-NXHRZFHOSA-N 2 1 361.555 3.048 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000428051740 500462731 /nfs/dbraw/zinc/46/27/31/500462731.db2.gz WXOJVCCVXIWZNG-QGZVFWFLSA-N 2 1 371.447 3.112 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]3c3ccc(C)cc3)CC2)CC1 ZINC000573458252 506198694 /nfs/dbraw/zinc/19/86/94/506198694.db2.gz NUQOIUFNVABCGR-FCHUYYIVSA-N 2 1 369.553 3.163 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428290440 500492152 /nfs/dbraw/zinc/49/21/52/500492152.db2.gz XQYYUSWMBYUBFV-UHFFFAOYSA-N 2 1 359.558 3.120 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000420755294 500495311 /nfs/dbraw/zinc/49/53/11/500495311.db2.gz CNFDJEWZIWRXJQ-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404279 500511248 /nfs/dbraw/zinc/51/12/48/500511248.db2.gz DKAHAMFWCYLMHP-IRXDYDNUSA-N 2 1 374.504 3.471 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1-c1ccc(F)cc1 ZINC000432404279 500511251 /nfs/dbraw/zinc/51/12/51/500511251.db2.gz DKAHAMFWCYLMHP-IRXDYDNUSA-N 2 1 374.504 3.471 20 0 FGADMP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000428462048 500512483 /nfs/dbraw/zinc/51/24/83/500512483.db2.gz SVDBSEJMRWDDMZ-KAOXLYBCSA-N 2 1 372.553 3.056 20 0 FGADMP C[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542876 500523577 /nfs/dbraw/zinc/52/35/77/500523577.db2.gz FKFXJGZXKHXFAX-KNQAVFIVSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542876 500523579 /nfs/dbraw/zinc/52/35/79/500523579.db2.gz FKFXJGZXKHXFAX-KNQAVFIVSA-N 2 1 360.542 3.320 20 0 FGADMP CC(C)OC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420923990 500531844 /nfs/dbraw/zinc/53/18/44/500531844.db2.gz RQQKURCXWYNCHQ-NRFANRHFSA-N 2 1 374.525 3.073 20 0 FGADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420923990 500531845 /nfs/dbraw/zinc/53/18/45/500531845.db2.gz RQQKURCXWYNCHQ-NRFANRHFSA-N 2 1 374.525 3.073 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000428613298 500533499 /nfs/dbraw/zinc/53/34/99/500533499.db2.gz AQSNXTPQIXGDDS-CBQGHPETSA-N 2 1 363.505 3.331 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1OCCc2sccc21 ZINC000420982342 500547142 /nfs/dbraw/zinc/54/71/42/500547142.db2.gz ZQUWSGJNLYHMBY-IIBYNOLFSA-N 2 1 372.534 3.372 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000428856225 500566108 /nfs/dbraw/zinc/56/61/08/500566108.db2.gz LPLNOLGAELSFEA-HMXCVIKNSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856225 500566112 /nfs/dbraw/zinc/56/61/12/500566112.db2.gz LPLNOLGAELSFEA-HMXCVIKNSA-N 2 1 372.557 3.213 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000428856225 500566116 /nfs/dbraw/zinc/56/61/16/500566116.db2.gz LPLNOLGAELSFEA-HMXCVIKNSA-N 2 1 372.557 3.213 20 0 FGADMP COc1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c(C)n1 ZINC000433068386 500618321 /nfs/dbraw/zinc/61/83/21/500618321.db2.gz PANVQRRFVSEWBS-UHFFFAOYSA-N 2 1 366.509 3.282 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000442762158 500622021 /nfs/dbraw/zinc/62/20/21/500622021.db2.gz QEMBJILASUOMCI-IRXDYDNUSA-N 2 1 353.466 3.477 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783789 500625083 /nfs/dbraw/zinc/62/50/83/500625083.db2.gz RZCYLAITYSWLKH-MBOZVWFJSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783789 500625087 /nfs/dbraw/zinc/62/50/87/500625087.db2.gz RZCYLAITYSWLKH-MBOZVWFJSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433135599 500633217 /nfs/dbraw/zinc/63/32/17/500633217.db2.gz JPMJFLQXJRWEQM-GOSISDBHSA-N 3 1 372.557 3.203 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433135599 500633219 /nfs/dbraw/zinc/63/32/19/500633219.db2.gz JPMJFLQXJRWEQM-GOSISDBHSA-N 2 1 372.557 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCCN2CCC([NH3+])CC2)cc1 ZINC000433135599 500633225 /nfs/dbraw/zinc/63/32/25/500633225.db2.gz JPMJFLQXJRWEQM-GOSISDBHSA-N 2 1 372.557 3.203 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3cc4c(cc32)CCCC4)CC1(C)C ZINC000442868088 500636917 /nfs/dbraw/zinc/63/69/17/500636917.db2.gz BNEHZFKWAVVBOT-OAQYLSRUSA-N 2 1 371.569 3.395 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Br)c3c(c2)OCCCO3)C1 ZINC000442923696 500647648 /nfs/dbraw/zinc/64/76/48/500647648.db2.gz WQBFYRRUXGZCTH-ZDUSSCGKSA-N 2 1 369.303 3.171 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OCc1ccncc1 ZINC000442928526 500648361 /nfs/dbraw/zinc/64/83/61/500648361.db2.gz PPDAQOLJTQKBAA-QGZVFWFLSA-N 2 1 355.482 3.230 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc2c(c1)CCCC2 ZINC000443054781 500669576 /nfs/dbraw/zinc/66/95/76/500669576.db2.gz AEJUAKIJNCFECX-BZSNNMDCSA-N 2 1 357.542 3.192 20 0 FGADMP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC(C)(C)[NH2+]1 ZINC000437629641 500672047 /nfs/dbraw/zinc/67/20/47/500672047.db2.gz ZACHWJAZFUIWTO-GOSISDBHSA-N 2 1 364.578 3.392 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)cc1 ZINC000437634772 500672879 /nfs/dbraw/zinc/67/28/79/500672879.db2.gz KZIKBOCGPMPHAH-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2)C1=CC[NH+](C)CC1 ZINC000443122195 500683196 /nfs/dbraw/zinc/68/31/96/500683196.db2.gz ZYRMPYPTBGJHJL-JMUQELJHSA-N 2 1 367.537 3.055 20 0 FGADMP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2)C1=CC[N@H+](C)CC1 ZINC000443122195 500683198 /nfs/dbraw/zinc/68/31/98/500683198.db2.gz ZYRMPYPTBGJHJL-JMUQELJHSA-N 2 1 367.537 3.055 20 0 FGADMP C[C@@H](NC(=O)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2)C1=CC[N@@H+](C)CC1 ZINC000443122195 500683199 /nfs/dbraw/zinc/68/31/99/500683199.db2.gz ZYRMPYPTBGJHJL-JMUQELJHSA-N 2 1 367.537 3.055 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000447964189 500698277 /nfs/dbraw/zinc/69/82/77/500698277.db2.gz PKPOITQJKZZGEW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@H]21 ZINC000570682865 506213604 /nfs/dbraw/zinc/21/36/04/506213604.db2.gz RHXMZOHHOWQLHB-UTRMSSBJSA-N 2 1 364.917 3.457 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)ccc3OC[C@H]3CCCO3)C[C@H]21 ZINC000570682865 506213605 /nfs/dbraw/zinc/21/36/05/506213605.db2.gz RHXMZOHHOWQLHB-UTRMSSBJSA-N 2 1 364.917 3.457 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376313 500715944 /nfs/dbraw/zinc/71/59/44/500715944.db2.gz WMBWZTZOUPRBHH-SFHVURJKSA-N 2 1 358.486 3.313 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968266 500722675 /nfs/dbraw/zinc/72/26/75/500722675.db2.gz GFZFTEJXUISSNQ-AVRDEDQJSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968266 500722678 /nfs/dbraw/zinc/72/26/78/500722678.db2.gz GFZFTEJXUISSNQ-AVRDEDQJSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968266 500722681 /nfs/dbraw/zinc/72/26/81/500722681.db2.gz GFZFTEJXUISSNQ-AVRDEDQJSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968266 500722682 /nfs/dbraw/zinc/72/26/82/500722682.db2.gz GFZFTEJXUISSNQ-AVRDEDQJSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968266 500722684 /nfs/dbraw/zinc/72/26/84/500722684.db2.gz GFZFTEJXUISSNQ-AVRDEDQJSA-N 2 1 356.485 3.498 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000448214043 500734289 /nfs/dbraw/zinc/73/42/89/500734289.db2.gz PABTYKHVAJKPJU-VAMGGRTRSA-N 2 1 366.594 3.022 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000570710424 506214726 /nfs/dbraw/zinc/21/47/26/506214726.db2.gz ZTLIRGDSUWHROT-IRXDYDNUSA-N 2 1 354.922 3.098 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)[C@H](C)C1 ZINC000438329647 500770959 /nfs/dbraw/zinc/77/09/59/500770959.db2.gz RFOTXGSTVPYVLW-HOJAQTOUSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C)C1 ZINC000438329647 500770961 /nfs/dbraw/zinc/77/09/61/500770961.db2.gz RFOTXGSTVPYVLW-HOJAQTOUSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)[C@H](C)C1 ZINC000438329647 500770963 /nfs/dbraw/zinc/77/09/63/500770963.db2.gz RFOTXGSTVPYVLW-HOJAQTOUSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000607664869 506219221 /nfs/dbraw/zinc/21/92/21/506219221.db2.gz LJPKKGIINCOKLR-KNKQGSTJSA-N 2 1 371.569 3.271 20 0 FGADMP Cc1cc(C)cc(C[N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000444692104 500880622 /nfs/dbraw/zinc/88/06/22/500880622.db2.gz AYGOMIRKMPSDGL-OAQYLSRUSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1cc(C)cc(C[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000444692104 500880627 /nfs/dbraw/zinc/88/06/27/500880627.db2.gz AYGOMIRKMPSDGL-OAQYLSRUSA-N 2 1 353.510 3.154 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc(F)cc(OC)c2)CC1 ZINC000449083619 500920967 /nfs/dbraw/zinc/92/09/67/500920967.db2.gz URTCRNYEASLCPJ-UHFFFAOYSA-N 2 1 371.500 3.262 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](C)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000449108840 500927460 /nfs/dbraw/zinc/92/74/60/500927460.db2.gz WEVLAWUTRCMKSE-ZDUSSCGKSA-N 2 1 361.313 3.461 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ncc(C)s3)CC2)cs1 ZINC000449152124 500935982 /nfs/dbraw/zinc/93/59/82/500935982.db2.gz ZUGLMZNNTOQVIR-UHFFFAOYSA-N 2 1 350.557 3.472 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(N(C)C)CCSC2)CC1 ZINC000449174967 500940942 /nfs/dbraw/zinc/94/09/42/500940942.db2.gz JGNRIQPBJBZKLB-RXVVDRJESA-N 2 1 361.599 3.109 20 0 FGADMP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)cc1 ZINC000439839154 500944196 /nfs/dbraw/zinc/94/41/96/500944196.db2.gz VBHSGIZKCSEPMP-OAQYLSRUSA-N 2 1 373.541 3.040 20 0 FGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)C1 ZINC000435378152 500963321 /nfs/dbraw/zinc/96/33/21/500963321.db2.gz CGXAPTHRZCHNLM-KRWDZBQOSA-N 2 1 352.507 3.441 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c2C)cc1 ZINC000435380536 500963535 /nfs/dbraw/zinc/96/35/35/500963535.db2.gz OQCQSSHXCTYJNU-KXBFYZLASA-N 2 1 356.514 3.116 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000435380481 500963883 /nfs/dbraw/zinc/96/38/83/500963883.db2.gz NZVHMNUDRCIDMI-YJLNNSPDSA-N 2 1 360.452 3.327 20 0 FGADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)ccc1OCc1ccncc1 ZINC000435383391 500964215 /nfs/dbraw/zinc/96/42/15/500964215.db2.gz ICMGBHOASBYHCE-IBGZPJMESA-N 2 1 357.498 3.474 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4CC[C@@H](C[NH3+])C4)cc3)nc12 ZINC000435388473 500965676 /nfs/dbraw/zinc/96/56/76/500965676.db2.gz HEJTVJULOQLKOU-SFHVURJKSA-N 3 1 350.466 3.002 20 0 FGADMP C[C@H](CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cc(F)cc(F)c1 ZINC000449325034 500977695 /nfs/dbraw/zinc/97/76/95/500977695.db2.gz JGMJPYLWFQQAHZ-OCVOVZGFSA-N 2 1 363.496 3.311 20 0 FGADMP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1cc(F)cc(F)c1 ZINC000449325034 500977697 /nfs/dbraw/zinc/97/76/97/500977697.db2.gz JGMJPYLWFQQAHZ-OCVOVZGFSA-N 2 1 363.496 3.311 20 0 FGADMP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1cc(F)cc(F)c1 ZINC000449325034 500977698 /nfs/dbraw/zinc/97/76/98/500977698.db2.gz JGMJPYLWFQQAHZ-OCVOVZGFSA-N 2 1 363.496 3.311 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440159848 500981964 /nfs/dbraw/zinc/98/19/64/500981964.db2.gz LGNLVHGKMUWVQA-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000440182953 500985374 /nfs/dbraw/zinc/98/53/74/500985374.db2.gz FFWHSHODRFVBCF-AABGKKOBSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000440182953 500985378 /nfs/dbraw/zinc/98/53/78/500985378.db2.gz FFWHSHODRFVBCF-AABGKKOBSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000440182953 500985382 /nfs/dbraw/zinc/98/53/82/500985382.db2.gz FFWHSHODRFVBCF-AABGKKOBSA-N 2 1 364.578 3.154 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617248 501002608 /nfs/dbraw/zinc/00/26/08/501002608.db2.gz VOPDLHFABMNRJH-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1)[C@H]1CCC[NH2+]CC1 ZINC000435617248 501002609 /nfs/dbraw/zinc/00/26/09/501002609.db2.gz VOPDLHFABMNRJH-RXVVDRJESA-N 2 1 357.542 3.278 20 0 FGADMP c1csc(C[N@H+](CCc2ccc3c(c2)CCO3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435688497 501011947 /nfs/dbraw/zinc/01/19/47/501011947.db2.gz PUNXEZDIMFGWCG-LJQANCHMSA-N 2 1 369.534 3.265 20 0 FGADMP CC(C)N(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000435696464 501013340 /nfs/dbraw/zinc/01/33/40/501013340.db2.gz PWHFPNQEGTYEMK-SFHVURJKSA-N 2 1 363.571 3.338 20 0 FGADMP CC(C)N(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)C(C)C ZINC000435696464 501013341 /nfs/dbraw/zinc/01/33/41/501013341.db2.gz PWHFPNQEGTYEMK-SFHVURJKSA-N 2 1 363.571 3.338 20 0 FGADMP Fc1cccc(OCC[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435694063 501013394 /nfs/dbraw/zinc/01/33/94/501013394.db2.gz KONOXRWOVUWUTK-QGZVFWFLSA-N 2 1 361.486 3.305 20 0 FGADMP Fc1cccc(OCC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435694063 501013395 /nfs/dbraw/zinc/01/33/95/501013395.db2.gz KONOXRWOVUWUTK-QGZVFWFLSA-N 2 1 361.486 3.305 20 0 FGADMP CC[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500705 501019618 /nfs/dbraw/zinc/01/96/18/501019618.db2.gz NFJBIVKLQXBQEG-BHIFYINESA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500705 501019623 /nfs/dbraw/zinc/01/96/23/501019623.db2.gz NFJBIVKLQXBQEG-BHIFYINESA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500705 501019625 /nfs/dbraw/zinc/01/96/25/501019625.db2.gz NFJBIVKLQXBQEG-BHIFYINESA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@H](C[NH+]2CCC[C@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500705 501019629 /nfs/dbraw/zinc/01/96/29/501019629.db2.gz NFJBIVKLQXBQEG-BHIFYINESA-N 2 1 363.590 3.469 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@@H](O)CC[C@@H]3C2)CC1 ZINC000449550156 501030641 /nfs/dbraw/zinc/03/06/41/501030641.db2.gz CJKKCSKMVBEBNP-SJBKTWHCSA-N 2 1 371.569 3.202 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@H](C)n3ccnc32)CC1 ZINC000449573825 501035843 /nfs/dbraw/zinc/03/58/43/501035843.db2.gz SFQBUXSPBRZDEX-PKOBYXMFSA-N 2 1 353.514 3.211 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000449578845 501036786 /nfs/dbraw/zinc/03/67/86/501036786.db2.gz SCJVJHLGNYRXJT-DXIQSLLYSA-N 2 1 371.569 3.367 20 0 FGADMP Cc1c(Cl)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nc2ccccc12 ZINC000436065060 501064720 /nfs/dbraw/zinc/06/47/20/501064720.db2.gz XACNBEWAJHEDTR-HNNXBMFYSA-N 2 1 374.916 3.016 20 0 FGADMP Cc1c(Cl)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])nc2ccccc12 ZINC000436065060 501064724 /nfs/dbraw/zinc/06/47/24/501064724.db2.gz XACNBEWAJHEDTR-HNNXBMFYSA-N 2 1 374.916 3.016 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253104 501109144 /nfs/dbraw/zinc/10/91/44/501109144.db2.gz XGMBUJAAFYNQDR-NXHRZFHOSA-N 2 1 372.431 3.268 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(C(F)(F)F)cc1 ZINC000441253104 501109147 /nfs/dbraw/zinc/10/91/47/501109147.db2.gz XGMBUJAAFYNQDR-NXHRZFHOSA-N 2 1 372.431 3.268 20 0 FGADMP CN(C)c1ccccc1C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000441322286 501120202 /nfs/dbraw/zinc/12/02/02/501120202.db2.gz JQYPVYFVQQTLGR-UHFFFAOYSA-N 2 1 366.553 3.002 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000441382165 501130835 /nfs/dbraw/zinc/13/08/35/501130835.db2.gz NKEROCDJCOCAJY-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP CCc1cc(N2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc[nH+]1 ZINC000450524212 501144820 /nfs/dbraw/zinc/14/48/20/501144820.db2.gz BHVQDGNZFNBISK-QFIPXVFZSA-N 2 1 350.510 3.041 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ccccc2cc1O ZINC000436536772 501150907 /nfs/dbraw/zinc/15/09/07/501150907.db2.gz QFVCEFOXWAQSSG-IBGZPJMESA-N 2 1 369.509 3.034 20 0 FGADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000446750348 501160732 /nfs/dbraw/zinc/16/07/32/501160732.db2.gz GINSWFNGDNSHLI-GHTZIAJQSA-N 2 1 371.529 3.272 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC34CCC(CC3)C4)CC2)C[C@@H](C)O1 ZINC000450649148 501176221 /nfs/dbraw/zinc/17/62/21/501176221.db2.gz KWKRBJSHHABQSR-NQAMIAIDSA-N 2 1 350.547 3.157 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000451005286 501238487 /nfs/dbraw/zinc/23/84/87/501238487.db2.gz RHHLCRHXGAZFCK-UHFFFAOYSA-N 2 1 355.486 3.042 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453085731 501265748 /nfs/dbraw/zinc/26/57/48/501265748.db2.gz GIOOKNYPCHUTJR-YPAWHYETSA-N 2 1 352.526 3.386 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119890 501272941 /nfs/dbraw/zinc/27/29/41/501272941.db2.gz JPSVQRUMAIEFFN-ISKFKSNPSA-N 2 1 364.533 3.407 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119890 501272942 /nfs/dbraw/zinc/27/29/42/501272942.db2.gz JPSVQRUMAIEFFN-ISKFKSNPSA-N 2 1 364.533 3.407 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453126754 501274825 /nfs/dbraw/zinc/27/48/25/501274825.db2.gz KTQMVNCRTFDGET-ODAXIHTASA-N 3 1 373.585 3.376 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453126754 501274826 /nfs/dbraw/zinc/27/48/26/501274826.db2.gz KTQMVNCRTFDGET-ODAXIHTASA-N 2 1 373.585 3.376 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@@H]3CCC[C@H]32)cc1 ZINC000453161140 501282199 /nfs/dbraw/zinc/28/21/99/501282199.db2.gz IRPSNRGWMWHKNC-BMXMUORJSA-N 2 1 370.537 3.357 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(C)nn1C ZINC000453200461 501290170 /nfs/dbraw/zinc/29/01/70/501290170.db2.gz RGFYATDBSAJJFW-CEWLAPEOSA-N 2 1 368.525 3.270 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(C)nn1C ZINC000453200461 501290172 /nfs/dbraw/zinc/29/01/72/501290172.db2.gz RGFYATDBSAJJFW-CEWLAPEOSA-N 2 1 368.525 3.270 20 0 FGADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@H+]1CCCC[C@@H]1C ZINC000457705950 501291736 /nfs/dbraw/zinc/29/17/36/501291736.db2.gz LNQGSCNFKDQEON-DLBZAZTESA-N 2 1 366.575 3.084 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453217551 501293086 /nfs/dbraw/zinc/29/30/86/501293086.db2.gz PGCADEBVTFQASM-OZAHESQGSA-N 2 1 360.567 3.320 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453217551 501293088 /nfs/dbraw/zinc/29/30/88/501293088.db2.gz PGCADEBVTFQASM-OZAHESQGSA-N 2 1 360.567 3.320 20 0 FGADMP O[C@H](CN[C@H]1CCCc2cc(F)ccc21)C[N@H+]1CCc2ccccc2C1 ZINC000582477160 506245258 /nfs/dbraw/zinc/24/52/58/506245258.db2.gz ZQQSUNKKIKIKMA-IRLDBZIGSA-N 2 1 354.469 3.212 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2NC[C@@H]1CCC[N@H+]1CCCO ZINC000453278720 501307142 /nfs/dbraw/zinc/30/71/42/501307142.db2.gz ZDOLDXOSSSFJPD-FUHWJXTLSA-N 2 1 352.906 3.299 20 0 FGADMP CCCC[C@@H](CC)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528079 501313513 /nfs/dbraw/zinc/31/35/13/501313513.db2.gz KXZYXGUHPAKSPQ-NHCUHLMSSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528079 501313502 /nfs/dbraw/zinc/31/35/02/501313502.db2.gz KXZYXGUHPAKSPQ-NHCUHLMSSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528079 501313507 /nfs/dbraw/zinc/31/35/07/501313507.db2.gz KXZYXGUHPAKSPQ-NHCUHLMSSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528079 501313510 /nfs/dbraw/zinc/31/35/10/501313510.db2.gz KXZYXGUHPAKSPQ-NHCUHLMSSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@@H](CC)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528079 501313516 /nfs/dbraw/zinc/31/35/16/501313516.db2.gz KXZYXGUHPAKSPQ-NHCUHLMSSA-N 2 1 351.579 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531379 501314349 /nfs/dbraw/zinc/31/43/49/501314349.db2.gz RHTFZTKEPMTIGI-AECIHPRVSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531379 501314351 /nfs/dbraw/zinc/31/43/51/501314351.db2.gz RHTFZTKEPMTIGI-AECIHPRVSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531379 501314352 /nfs/dbraw/zinc/31/43/52/501314352.db2.gz RHTFZTKEPMTIGI-AECIHPRVSA-N 2 1 369.553 3.356 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000451531379 501314354 /nfs/dbraw/zinc/31/43/54/501314354.db2.gz RHTFZTKEPMTIGI-AECIHPRVSA-N 2 1 369.553 3.356 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000453331352 501315896 /nfs/dbraw/zinc/31/58/96/501315896.db2.gz FGHZKEUDQVEFRL-IWLVTHKOSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccnn2C)C1 ZINC000453331352 501315899 /nfs/dbraw/zinc/31/58/99/501315899.db2.gz FGHZKEUDQVEFRL-IWLVTHKOSA-N 2 1 368.525 3.140 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000453333493 501316935 /nfs/dbraw/zinc/31/69/35/501316935.db2.gz ITGAVRCJNYTOEI-NRDMVMEKSA-N 2 1 361.530 3.028 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366455 501320911 /nfs/dbraw/zinc/32/09/11/501320911.db2.gz SZJCSLGGJYPKGT-DDUZABMNSA-N 2 1 360.452 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366455 501320914 /nfs/dbraw/zinc/32/09/14/501320914.db2.gz SZJCSLGGJYPKGT-DDUZABMNSA-N 2 1 360.452 3.073 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccco1 ZINC000455611980 501347096 /nfs/dbraw/zinc/34/70/96/501347096.db2.gz FWKRFBFGGSVXSI-HOCLYGCPSA-N 2 1 355.442 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455626467 501350741 /nfs/dbraw/zinc/35/07/41/501350741.db2.gz YKNDBIFRXBMCGA-RBUKOAKNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455626467 501350743 /nfs/dbraw/zinc/35/07/43/501350743.db2.gz YKNDBIFRXBMCGA-RBUKOAKNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455626467 501350744 /nfs/dbraw/zinc/35/07/44/501350744.db2.gz YKNDBIFRXBMCGA-RBUKOAKNSA-N 2 1 372.557 3.165 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455949732 501424138 /nfs/dbraw/zinc/42/41/38/501424138.db2.gz YYNUGHKCIOZBIV-OXJNMPFZSA-N 2 1 358.530 3.431 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000458544399 501470623 /nfs/dbraw/zinc/47/06/23/501470623.db2.gz XUSJCSRAZKCREF-DLBZAZTESA-N 2 1 369.513 3.367 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000458575550 501478296 /nfs/dbraw/zinc/47/82/96/501478296.db2.gz XVJXSSODRJRUEB-PKOBYXMFSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000454509236 501564528 /nfs/dbraw/zinc/56/45/28/501564528.db2.gz NFGUBSIUPFHYDS-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000454509236 501564531 /nfs/dbraw/zinc/56/45/31/501564531.db2.gz NFGUBSIUPFHYDS-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459271211 501622805 /nfs/dbraw/zinc/62/28/05/501622805.db2.gz VWYGNNJCALUANY-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459271211 501622807 /nfs/dbraw/zinc/62/28/07/501622807.db2.gz VWYGNNJCALUANY-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459271211 501622808 /nfs/dbraw/zinc/62/28/08/501622808.db2.gz VWYGNNJCALUANY-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOCC3CCCC3)CC2)CC1 ZINC000459336082 501633678 /nfs/dbraw/zinc/63/36/78/501633678.db2.gz BTUPRZDTXQULMR-UHFFFAOYSA-N 2 1 365.606 3.321 20 0 FGADMP C[N@H+](CCOCC1CCCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459336082 501633679 /nfs/dbraw/zinc/63/36/79/501633679.db2.gz BTUPRZDTXQULMR-UHFFFAOYSA-N 3 1 365.606 3.321 20 0 FGADMP C[N@@H+](CCOCC1CCCC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000459336082 501633683 /nfs/dbraw/zinc/63/36/83/501633683.db2.gz BTUPRZDTXQULMR-UHFFFAOYSA-N 3 1 365.606 3.321 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(C4CC4)nc3)CC2)cs1 ZINC000459409038 501648527 /nfs/dbraw/zinc/64/85/27/501648527.db2.gz JLNHTGGRFHSWGZ-UHFFFAOYSA-N 2 1 371.554 3.375 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459724399 501704344 /nfs/dbraw/zinc/70/43/44/501704344.db2.gz ASZWJLTVCDLRCV-IAGOWNOFSA-N 2 1 365.949 3.399 20 0 FGADMP CO[C@H]1C[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289165 501759967 /nfs/dbraw/zinc/75/99/67/501759967.db2.gz MCBDRGZJGUPVBR-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289165 501759970 /nfs/dbraw/zinc/75/99/70/501759970.db2.gz MCBDRGZJGUPVBR-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289165 501759974 /nfs/dbraw/zinc/75/99/74/501759974.db2.gz MCBDRGZJGUPVBR-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000460218256 501764089 /nfs/dbraw/zinc/76/40/89/501764089.db2.gz UGUPSVJRYNEVOH-QGZVFWFLSA-N 2 1 367.497 3.193 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC[N@@H+]2CC=C(C)CC2)cc1 ZINC000460218256 501764093 /nfs/dbraw/zinc/76/40/93/501764093.db2.gz UGUPSVJRYNEVOH-QGZVFWFLSA-N 2 1 367.497 3.193 20 0 FGADMP Cc1nc2cc(F)c(F)cc2n1CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000474289281 501776682 /nfs/dbraw/zinc/77/66/82/501776682.db2.gz DNZSUPMLHZFTRE-ZDUSSCGKSA-N 2 1 364.440 3.004 20 0 FGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460347170 501798805 /nfs/dbraw/zinc/79/88/05/501798805.db2.gz MTMKTQWXYSDJAD-NGRWLJPCSA-N 2 1 359.558 3.381 20 0 FGADMP CCCN(CCC)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460347170 501798808 /nfs/dbraw/zinc/79/88/08/501798808.db2.gz MTMKTQWXYSDJAD-NGRWLJPCSA-N 2 1 359.558 3.381 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H](C)C1 ZINC000481544824 501809953 /nfs/dbraw/zinc/80/99/53/501809953.db2.gz BMAPOZQDJVOWCG-ICSRJNTNSA-N 2 1 356.514 3.099 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481126 501834842 /nfs/dbraw/zinc/83/48/42/501834842.db2.gz RJGHQIOATYVVMK-ZJOUEHCJSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481126 501834846 /nfs/dbraw/zinc/83/48/46/501834846.db2.gz RJGHQIOATYVVMK-ZJOUEHCJSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481126 501834851 /nfs/dbraw/zinc/83/48/51/501834851.db2.gz RJGHQIOATYVVMK-ZJOUEHCJSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460652958 501886256 /nfs/dbraw/zinc/88/62/56/501886256.db2.gz XQDUFRQYZIHUKV-BZSNNMDCSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460652958 501886261 /nfs/dbraw/zinc/88/62/61/501886261.db2.gz XQDUFRQYZIHUKV-BZSNNMDCSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460652958 501886265 /nfs/dbraw/zinc/88/62/65/501886265.db2.gz XQDUFRQYZIHUKV-BZSNNMDCSA-N 2 1 352.567 3.059 20 0 FGADMP CC(C)C[C@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597670 501887495 /nfs/dbraw/zinc/88/74/95/501887495.db2.gz NBRXOOIGWMQUKO-NHCUHLMSSA-N 2 1 359.558 3.349 20 0 FGADMP CC(C)C[C@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597670 501887499 /nfs/dbraw/zinc/88/74/99/501887499.db2.gz NBRXOOIGWMQUKO-NHCUHLMSSA-N 2 1 359.558 3.349 20 0 FGADMP CC(C)C[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597669 501887753 /nfs/dbraw/zinc/88/77/53/501887753.db2.gz NBRXOOIGWMQUKO-LEWJYISDSA-N 2 1 359.558 3.349 20 0 FGADMP CC(C)C[C@@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000474597669 501887757 /nfs/dbraw/zinc/88/77/57/501887757.db2.gz NBRXOOIGWMQUKO-LEWJYISDSA-N 2 1 359.558 3.349 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471025517 501895228 /nfs/dbraw/zinc/89/52/28/501895228.db2.gz MRIMPNXHFCHJJH-RZUBCFFCSA-N 2 1 361.489 3.004 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471025517 501895232 /nfs/dbraw/zinc/89/52/32/501895232.db2.gz MRIMPNXHFCHJJH-RZUBCFFCSA-N 2 1 361.489 3.004 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471025517 501895234 /nfs/dbraw/zinc/89/52/34/501895234.db2.gz MRIMPNXHFCHJJH-RZUBCFFCSA-N 2 1 361.489 3.004 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471025517 501895237 /nfs/dbraw/zinc/89/52/37/501895237.db2.gz MRIMPNXHFCHJJH-RZUBCFFCSA-N 2 1 361.489 3.004 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629628 501899973 /nfs/dbraw/zinc/89/99/73/501899973.db2.gz NBOIHDDYNPQOMT-CYXJOQHWSA-N 2 1 361.505 3.104 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCN2Cc2ccccc2)C1 ZINC000468130834 501967370 /nfs/dbraw/zinc/96/73/70/501967370.db2.gz PQCUNCJBBCWTQS-NSHGMRRFSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000485891759 501978544 /nfs/dbraw/zinc/97/85/44/501978544.db2.gz BXTNBQCWYAZTTM-FXAWDEMLSA-N 2 1 351.494 3.314 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCCCCC1 ZINC000482113379 501978871 /nfs/dbraw/zinc/97/88/71/501978871.db2.gz JTRGQPXXEWVJGO-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3OC)CC2)[C@@H](C)C1 ZINC000482129041 501983475 /nfs/dbraw/zinc/98/34/75/501983475.db2.gz RKXIDNDLCMDILI-ICSRJNTNSA-N 2 1 360.542 3.453 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000482140138 501986733 /nfs/dbraw/zinc/98/67/33/501986733.db2.gz QUQVTOOAQSLLFW-LEWJYISDSA-N 2 1 357.542 3.062 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCc1sccc1C ZINC000482148194 501990283 /nfs/dbraw/zinc/99/02/83/501990283.db2.gz YWSAZBFOMYBJML-IRXDYDNUSA-N 2 1 351.560 3.163 20 0 FGADMP CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494284 502004593 /nfs/dbraw/zinc/00/45/93/502004593.db2.gz AKISQLBYHPFWKA-GXRSIYKFSA-N 2 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494284 502004599 /nfs/dbraw/zinc/00/45/99/502004599.db2.gz AKISQLBYHPFWKA-GXRSIYKFSA-N 2 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494284 502004606 /nfs/dbraw/zinc/00/46/06/502004606.db2.gz AKISQLBYHPFWKA-GXRSIYKFSA-N 2 1 364.622 3.130 20 0 FGADMP C[C@@H](CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)OCc1ccccc1 ZINC000474979616 502011128 /nfs/dbraw/zinc/01/11/28/502011128.db2.gz YWTXHLFSEBEBLW-ATNRPFFGSA-N 2 1 371.569 3.225 20 0 FGADMP CC(C)c1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(N(C)C)[nH+]1 ZINC000486009704 502018296 /nfs/dbraw/zinc/01/82/96/502018296.db2.gz RJLKVZDVKQPSLN-PXNSSMCTSA-N 2 1 368.529 3.190 20 0 FGADMP CC(C)c1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(N(C)C)[nH+]1 ZINC000486009704 502018301 /nfs/dbraw/zinc/01/83/01/502018301.db2.gz RJLKVZDVKQPSLN-PXNSSMCTSA-N 2 1 368.529 3.190 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1)C(C)C ZINC000582549102 506289043 /nfs/dbraw/zinc/28/90/43/506289043.db2.gz LNQPOPQAUPFUFV-NRFANRHFSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@H]2c2ccncc2)cc1)C(C)C ZINC000582549102 506289049 /nfs/dbraw/zinc/28/90/49/506289049.db2.gz LNQPOPQAUPFUFV-NRFANRHFSA-N 2 1 366.509 3.099 20 0 FGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468413441 502052055 /nfs/dbraw/zinc/05/20/55/502052055.db2.gz VUGHEEMGTSPCGJ-FPOVZHCZSA-N 2 1 359.558 3.323 20 0 FGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000468413441 502052063 /nfs/dbraw/zinc/05/20/63/502052063.db2.gz VUGHEEMGTSPCGJ-FPOVZHCZSA-N 2 1 359.558 3.323 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475098629 502057182 /nfs/dbraw/zinc/05/71/82/502057182.db2.gz TZPNJRXJOSOZKB-ZVDOUQERSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475098629 502057184 /nfs/dbraw/zinc/05/71/84/502057184.db2.gz TZPNJRXJOSOZKB-ZVDOUQERSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475098629 502057186 /nfs/dbraw/zinc/05/71/86/502057186.db2.gz TZPNJRXJOSOZKB-ZVDOUQERSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475113239 502064028 /nfs/dbraw/zinc/06/40/28/502064028.db2.gz GBCLQSHWRBYMAO-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475113239 502064032 /nfs/dbraw/zinc/06/40/32/502064032.db2.gz GBCLQSHWRBYMAO-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475113239 502064038 /nfs/dbraw/zinc/06/40/38/502064038.db2.gz GBCLQSHWRBYMAO-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468572 502077195 /nfs/dbraw/zinc/07/71/95/502077195.db2.gz LOCLMEDUBSEAIO-VXKWHMMOSA-N 2 1 365.521 3.316 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000482468572 502077198 /nfs/dbraw/zinc/07/71/98/502077198.db2.gz LOCLMEDUBSEAIO-VXKWHMMOSA-N 2 1 365.521 3.316 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000464769737 502087373 /nfs/dbraw/zinc/08/73/73/502087373.db2.gz AAIBNIVEWALCPN-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000464769737 502087377 /nfs/dbraw/zinc/08/73/77/502087377.db2.gz AAIBNIVEWALCPN-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526074 502099880 /nfs/dbraw/zinc/09/98/80/502099880.db2.gz SMULXXFKAZXGSZ-PKOBYXMFSA-N 2 1 371.525 3.411 20 0 FGADMP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000482529430 502101438 /nfs/dbraw/zinc/10/14/38/502101438.db2.gz GTAJCYPEDTTWEP-MRXNPFEDSA-N 2 1 357.464 3.254 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000482536655 502104530 /nfs/dbraw/zinc/10/45/30/502104530.db2.gz MRIAFPLPSYOYEV-CHWSQXEVSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000482536655 502104531 /nfs/dbraw/zinc/10/45/31/502104531.db2.gz MRIAFPLPSYOYEV-CHWSQXEVSA-N 2 1 358.313 3.231 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(Cl)cc1F ZINC000486269940 502106208 /nfs/dbraw/zinc/10/62/08/502106208.db2.gz KQQSPHWUZHLXFQ-CYBMUJFWSA-N 2 1 373.875 3.106 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000482561158 502111136 /nfs/dbraw/zinc/11/11/36/502111136.db2.gz YVYDBYKTMVUSAX-FGZHOGPDSA-N 2 1 365.521 3.147 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+]1CCCCCC1 ZINC000461445745 502116476 /nfs/dbraw/zinc/11/64/76/502116476.db2.gz FQHPGMZJXSCTET-BAGYTPMASA-N 2 1 369.553 3.231 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468683547 502145526 /nfs/dbraw/zinc/14/55/26/502145526.db2.gz GOZDNJKOSRUARZ-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[N@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000482690031 502153177 /nfs/dbraw/zinc/15/31/77/502153177.db2.gz OKNYKZXRYVVFGY-MRXNPFEDSA-N 2 1 374.447 3.253 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1C(F)(F)F ZINC000482690031 502153178 /nfs/dbraw/zinc/15/31/78/502153178.db2.gz OKNYKZXRYVVFGY-MRXNPFEDSA-N 2 1 374.447 3.253 20 0 FGADMP Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000468749171 502169329 /nfs/dbraw/zinc/16/93/29/502169329.db2.gz JCBYZIWAFWUEJP-CQSZACIVSA-N 2 1 365.424 3.038 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000468753095 502171190 /nfs/dbraw/zinc/17/11/90/502171190.db2.gz ACUMSUQIZDMNBV-KURKYZTESA-N 2 1 361.530 3.043 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000468753095 502171195 /nfs/dbraw/zinc/17/11/95/502171195.db2.gz ACUMSUQIZDMNBV-KURKYZTESA-N 2 1 361.530 3.043 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc2cc(F)ccc12 ZINC000475452007 502175877 /nfs/dbraw/zinc/17/58/77/502175877.db2.gz LZBVOBZEMMKZHL-MRXNPFEDSA-N 2 1 361.461 3.060 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000479254943 502205906 /nfs/dbraw/zinc/20/59/06/502205906.db2.gz LCNRTZDYACHSIU-KNQAVFIVSA-N 2 1 365.521 3.412 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000479254943 502205909 /nfs/dbraw/zinc/20/59/09/502205909.db2.gz LCNRTZDYACHSIU-KNQAVFIVSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472111623 502236667 /nfs/dbraw/zinc/23/66/67/502236667.db2.gz YHNACJWEGUFLNE-JLSDUUJJSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000472111623 502236671 /nfs/dbraw/zinc/23/66/71/502236671.db2.gz YHNACJWEGUFLNE-JLSDUUJJSA-N 2 1 366.937 3.115 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC1 ZINC000465474590 502273408 /nfs/dbraw/zinc/27/34/08/502273408.db2.gz IRBQZKGRGKDMKH-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738349 502274393 /nfs/dbraw/zinc/27/43/93/502274393.db2.gz JIWUDLRABQMQMV-VXKWHMMOSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475738349 502274396 /nfs/dbraw/zinc/27/43/96/502274396.db2.gz JIWUDLRABQMQMV-VXKWHMMOSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475738349 502274401 /nfs/dbraw/zinc/27/44/01/502274401.db2.gz JIWUDLRABQMQMV-VXKWHMMOSA-N 2 1 360.542 3.008 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C/C=C\c2ccncc2)[C@@H](c2ccccc2)C1 ZINC000486930011 502307211 /nfs/dbraw/zinc/30/72/11/502307211.db2.gz QNLVLKCLCRBZAQ-YXSMGJEKSA-N 2 1 350.510 3.063 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CCCC[C@H]2C)CC[NH+]1C ZINC000465559808 502307871 /nfs/dbraw/zinc/30/78/71/502307871.db2.gz BNEDNFIJULNIOI-OPYAIIAOSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000465559808 502307873 /nfs/dbraw/zinc/30/78/73/502307873.db2.gz BNEDNFIJULNIOI-OPYAIIAOSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000465559808 502307877 /nfs/dbraw/zinc/30/78/77/502307877.db2.gz BNEDNFIJULNIOI-OPYAIIAOSA-N 2 1 372.557 3.343 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000465621204 502328458 /nfs/dbraw/zinc/32/84/58/502328458.db2.gz XXHDARMTYHCWON-IBGZPJMESA-N 2 1 374.573 3.402 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006378 502329480 /nfs/dbraw/zinc/32/94/80/502329480.db2.gz NFRMUWDOEQPCRT-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006378 502329488 /nfs/dbraw/zinc/32/94/88/502329488.db2.gz NFRMUWDOEQPCRT-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006378 502329496 /nfs/dbraw/zinc/32/94/96/502329496.db2.gz NFRMUWDOEQPCRT-SESVDKBCSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498481 502370306 /nfs/dbraw/zinc/37/03/06/502370306.db2.gz KAERJWKXOCJSNO-PZJWPPBQSA-N 2 1 374.569 3.388 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498481 502370310 /nfs/dbraw/zinc/37/03/10/502370310.db2.gz KAERJWKXOCJSNO-PZJWPPBQSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498481 502370312 /nfs/dbraw/zinc/37/03/12/502370312.db2.gz KAERJWKXOCJSNO-PZJWPPBQSA-N 2 1 374.569 3.388 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)C1 ZINC000472498481 502370315 /nfs/dbraw/zinc/37/03/15/502370315.db2.gz KAERJWKXOCJSNO-PZJWPPBQSA-N 2 1 374.569 3.388 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483490749 502408716 /nfs/dbraw/zinc/40/87/16/502408716.db2.gz OOJHFDIXRYFEMA-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000483490749 502408722 /nfs/dbraw/zinc/40/87/22/502408722.db2.gz OOJHFDIXRYFEMA-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000483490749 502408729 /nfs/dbraw/zinc/40/87/29/502408729.db2.gz OOJHFDIXRYFEMA-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000483490749 502408733 /nfs/dbraw/zinc/40/87/33/502408733.db2.gz OOJHFDIXRYFEMA-BAGYTPMASA-N 2 1 369.553 3.374 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000466038658 502461844 /nfs/dbraw/zinc/46/18/44/502461844.db2.gz KVUDQYVHOOWDSX-SJORKVTESA-N 2 1 366.575 3.084 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C[C@@H]1C ZINC000483806062 502497839 /nfs/dbraw/zinc/49/78/39/502497839.db2.gz JQMPGYTZSRTRLI-JBACZVJFSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480492 502501019 /nfs/dbraw/zinc/50/10/19/502501019.db2.gz ADOMJBQVDRRUBQ-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000476480492 502501023 /nfs/dbraw/zinc/50/10/23/502501023.db2.gz ADOMJBQVDRRUBQ-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000476480492 502501028 /nfs/dbraw/zinc/50/10/28/502501028.db2.gz ADOMJBQVDRRUBQ-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473020075 502501983 /nfs/dbraw/zinc/50/19/83/502501983.db2.gz FDSFRDMRRPGLSM-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP O[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729559 502519944 /nfs/dbraw/zinc/51/99/44/502519944.db2.gz SRMQSDDMLKJSEZ-QZTJIDSGSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@@H](C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729559 502519946 /nfs/dbraw/zinc/51/99/46/502519946.db2.gz SRMQSDDMLKJSEZ-QZTJIDSGSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729559 502519947 /nfs/dbraw/zinc/51/99/47/502519947.db2.gz SRMQSDDMLKJSEZ-QZTJIDSGSA-N 2 1 356.432 3.288 20 0 FGADMP O[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)CC(F)(F)F ZINC000469729559 502519949 /nfs/dbraw/zinc/51/99/49/502519949.db2.gz SRMQSDDMLKJSEZ-QZTJIDSGSA-N 2 1 356.432 3.288 20 0 FGADMP CCc1cccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000469764043 502536080 /nfs/dbraw/zinc/53/60/80/502536080.db2.gz MTKZMIYOGSBWBK-KDURUIRLSA-N 2 1 360.542 3.339 20 0 FGADMP CCc1cccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000469764043 502536091 /nfs/dbraw/zinc/53/60/91/502536091.db2.gz MTKZMIYOGSBWBK-KDURUIRLSA-N 2 1 360.542 3.339 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000473177154 502536990 /nfs/dbraw/zinc/53/69/90/502536990.db2.gz SXTAEGMSNINJJQ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000473177154 502536992 /nfs/dbraw/zinc/53/69/92/502536992.db2.gz SXTAEGMSNINJJQ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000473177154 502536997 /nfs/dbraw/zinc/53/69/97/502536997.db2.gz SXTAEGMSNINJJQ-LJQANCHMSA-N 2 1 360.546 3.024 20 0 FGADMP O=C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[NH+](Cc1ccccc1)C2 ZINC000466330474 502539167 /nfs/dbraw/zinc/53/91/67/502539167.db2.gz HFMZMZWIFUVRLA-BESBDSHLSA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000466330474 502539170 /nfs/dbraw/zinc/53/91/70/502539170.db2.gz HFMZMZWIFUVRLA-BESBDSHLSA-N 2 1 367.537 3.032 20 0 FGADMP O=C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@@]12CCC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000466330474 502539174 /nfs/dbraw/zinc/53/91/74/502539174.db2.gz HFMZMZWIFUVRLA-BESBDSHLSA-N 2 1 367.537 3.032 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000487826042 502540795 /nfs/dbraw/zinc/54/07/95/502540795.db2.gz WVVPHSPBSJQGHN-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000487826042 502540802 /nfs/dbraw/zinc/54/08/02/502540802.db2.gz WVVPHSPBSJQGHN-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000487826042 502540810 /nfs/dbraw/zinc/54/08/10/502540810.db2.gz WVVPHSPBSJQGHN-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)c1cc(N2CC[NH+](CCc3cccs3)CC2)nc(N(C)C)[nH+]1 ZINC000462791753 502575914 /nfs/dbraw/zinc/57/59/14/502575914.db2.gz MFRWYWWVYZUUEY-UHFFFAOYSA-N 2 1 359.543 3.092 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124060 502576028 /nfs/dbraw/zinc/57/60/28/502576028.db2.gz AEWRIWUTCIXNPR-VGOFRKELSA-N 2 1 352.478 3.004 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124060 502576032 /nfs/dbraw/zinc/57/60/32/502576032.db2.gz AEWRIWUTCIXNPR-VGOFRKELSA-N 2 1 352.478 3.004 20 0 FGADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]13)CCCC2 ZINC000462814717 502586118 /nfs/dbraw/zinc/58/61/18/502586118.db2.gz FYZHSFPACROZDM-HMXCVIKNSA-N 2 1 364.537 3.299 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)n1 ZINC000480504207 502586563 /nfs/dbraw/zinc/58/65/63/502586563.db2.gz HIRPJIXAEYYLSL-LJQANCHMSA-N 2 1 362.481 3.293 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)n1 ZINC000480504207 502586571 /nfs/dbraw/zinc/58/65/71/502586571.db2.gz HIRPJIXAEYYLSL-LJQANCHMSA-N 2 1 362.481 3.293 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523776 502597129 /nfs/dbraw/zinc/59/71/29/502597129.db2.gz AYRCELGLBLXDLV-JYRKZWEQSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523776 502597134 /nfs/dbraw/zinc/59/71/34/502597134.db2.gz AYRCELGLBLXDLV-JYRKZWEQSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000466523776 502597139 /nfs/dbraw/zinc/59/71/39/502597139.db2.gz AYRCELGLBLXDLV-JYRKZWEQSA-N 2 1 372.557 3.164 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC([C@H](C)[NH3+])CC2)c(OC)c1 ZINC000470008353 502629522 /nfs/dbraw/zinc/62/95/22/502629522.db2.gz HUZILLZFXDLPBQ-NSHDSACASA-N 2 1 357.292 3.026 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000480753836 502661984 /nfs/dbraw/zinc/66/19/84/502661984.db2.gz IWXMGZYSTAQFTE-UNMCSNQZSA-N 2 1 374.569 3.461 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1c1ccc(OC)c(F)c1 ZINC000480771662 502666685 /nfs/dbraw/zinc/66/66/85/502666685.db2.gz OQPLXZHOUVFAQI-MJGOQNOKSA-N 2 1 352.494 3.418 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893243 502698760 /nfs/dbraw/zinc/69/87/60/502698760.db2.gz CMLJYHWGNUIQSM-NQIIRXRSSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@H](c1ccccc1)[NH+](C)C ZINC000484668298 502703034 /nfs/dbraw/zinc/70/30/34/502703034.db2.gz GHRADWNPXYQEDR-WIYYLYMNSA-N 2 1 368.525 3.109 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CS1 ZINC000488408806 502707337 /nfs/dbraw/zinc/70/73/37/502707337.db2.gz ICQYENLIFLFXMP-FYQPLNBISA-N 2 1 362.583 3.379 20 0 FGADMP CC(C)(C)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CS1 ZINC000488408806 502707341 /nfs/dbraw/zinc/70/73/41/502707341.db2.gz ICQYENLIFLFXMP-FYQPLNBISA-N 2 1 362.583 3.379 20 0 FGADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693545 502710248 /nfs/dbraw/zinc/71/02/48/502710248.db2.gz GNTYMIOKMFIJRZ-RDGPPVDQSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CS1 ZINC000488440124 502714789 /nfs/dbraw/zinc/71/47/89/502714789.db2.gz IXDLBXGNEUYMBR-NJYVYQBISA-N 2 1 361.599 3.485 20 0 FGADMP COc1ccc(C[C@H](C)C[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1F ZINC000463284856 502745755 /nfs/dbraw/zinc/74/57/55/502745755.db2.gz XFNGBDDYTRPIHX-KRWDZBQOSA-N 2 1 364.505 3.248 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481168965 502771353 /nfs/dbraw/zinc/77/13/53/502771353.db2.gz FGMXDTPVCKCOFU-SIKLNZKXSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1cccc(CNC(=O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000481168965 502771364 /nfs/dbraw/zinc/77/13/64/502771364.db2.gz FGMXDTPVCKCOFU-SIKLNZKXSA-N 2 1 365.521 3.111 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000474013678 502779174 /nfs/dbraw/zinc/77/91/74/502779174.db2.gz VLAXVROLSPEAFE-HDAAZOAOSA-N 2 1 374.573 3.173 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000474013678 502779180 /nfs/dbraw/zinc/77/91/80/502779180.db2.gz VLAXVROLSPEAFE-HDAAZOAOSA-N 2 1 374.573 3.173 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000474013678 502779183 /nfs/dbraw/zinc/77/91/83/502779183.db2.gz VLAXVROLSPEAFE-HDAAZOAOSA-N 2 1 374.573 3.173 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC[C@H]1[C@@H]1CCOC1 ZINC000474032588 502784837 /nfs/dbraw/zinc/78/48/37/502784837.db2.gz MIRYKPRGJKPUCE-BHIFYINESA-N 2 1 358.526 3.204 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1)CC1CC1 ZINC000485010167 502800130 /nfs/dbraw/zinc/80/01/30/502800130.db2.gz RJMNBXYLNASPHX-OAQYLSRUSA-N 2 1 373.541 3.070 20 0 FGADMP CCN(Cc1cccs1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040646 502808140 /nfs/dbraw/zinc/80/81/40/502808140.db2.gz COMOMCQPLAGHCW-MJGOQNOKSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040646 502808145 /nfs/dbraw/zinc/80/81/45/502808145.db2.gz COMOMCQPLAGHCW-MJGOQNOKSA-N 2 1 371.550 3.349 20 0 FGADMP CC[N@@H+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485040646 502808149 /nfs/dbraw/zinc/80/81/49/502808149.db2.gz COMOMCQPLAGHCW-MJGOQNOKSA-N 2 1 371.550 3.349 20 0 FGADMP CC[NH+](Cc1cccs1)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485040646 502808155 /nfs/dbraw/zinc/80/81/55/502808155.db2.gz COMOMCQPLAGHCW-MJGOQNOKSA-N 2 1 371.550 3.349 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)CC[N@H+]2C2CC2)c1 ZINC000495407429 502835598 /nfs/dbraw/zinc/83/55/98/502835598.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407429 502835604 /nfs/dbraw/zinc/83/56/04/502835604.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC[NH+]2C2CC2)c1 ZINC000495407429 502835609 /nfs/dbraw/zinc/83/56/09/502835609.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407429 502835615 /nfs/dbraw/zinc/83/56/15/502835615.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCN2C2CC2)c1 ZINC000495407429 502835621 /nfs/dbraw/zinc/83/56/21/502835621.db2.gz IPSOXCJFLKZCQP-HVJHZFLKSA-N 2 1 355.526 3.189 20 0 FGADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1ccc(C[NH+](CC)C2CC2)cc1 ZINC000489058966 502870919 /nfs/dbraw/zinc/87/09/19/502870919.db2.gz GQEMEGMTDHIZHA-FPOVZHCZSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1ccc(C[N@H+](CC)C2CC2)cc1 ZINC000489058966 502870924 /nfs/dbraw/zinc/87/09/24/502870924.db2.gz GQEMEGMTDHIZHA-FPOVZHCZSA-N 2 1 355.526 3.370 20 0 FGADMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000489058966 502870929 /nfs/dbraw/zinc/87/09/29/502870929.db2.gz GQEMEGMTDHIZHA-FPOVZHCZSA-N 2 1 355.526 3.370 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000513233988 502885989 /nfs/dbraw/zinc/88/59/89/502885989.db2.gz QQEAQMXSTMVLKX-SIKLNZKXSA-N 2 1 360.542 3.462 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCCOCC2CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000513233988 502885990 /nfs/dbraw/zinc/88/59/90/502885990.db2.gz QQEAQMXSTMVLKX-SIKLNZKXSA-N 2 1 360.542 3.462 20 0 FGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C1(CC)CC ZINC000501006846 502910463 /nfs/dbraw/zinc/91/04/63/502910463.db2.gz ITAKBEJFKPKUDI-WOJBJXKFSA-N 2 1 353.595 3.318 20 0 FGADMP C[C@@H](C(=O)NC1CCC(C)CC1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501019865 502913355 /nfs/dbraw/zinc/91/33/55/502913355.db2.gz AXRMYIQGPQKDNG-FDYSRKEFSA-N 2 1 372.557 3.313 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501069427 502927456 /nfs/dbraw/zinc/92/74/56/502927456.db2.gz PJNCQKFATKEVCZ-RBUKOAKNSA-N 2 1 352.567 3.061 20 0 FGADMP CCc1ccc([C@H]2CCC[N@H+](CC(=O)NC3CC[NH+](CC)CC3)C2)cc1 ZINC000513406413 502928802 /nfs/dbraw/zinc/92/88/02/502928802.db2.gz RGMQULKWTHBPHQ-FQEVSTJZSA-N 2 1 357.542 3.029 20 0 FGADMP C[N@H+]1C[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400852 502949931 /nfs/dbraw/zinc/94/99/31/502949931.db2.gz JTZLQWONDVPXKM-YADHBBJMSA-N 2 1 372.472 3.075 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@H+](C)[C@@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498055 502973262 /nfs/dbraw/zinc/97/32/62/502973262.db2.gz OEIXJKXFOYSCEZ-WOJBJXKFSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)[C@@H]2CC2(C)C)[NH+]2CCCCC2)cc1 ZINC000489498055 502973266 /nfs/dbraw/zinc/97/32/66/502973266.db2.gz OEIXJKXFOYSCEZ-WOJBJXKFSA-N 2 1 373.541 3.069 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497507406 502975894 /nfs/dbraw/zinc/97/58/94/502975894.db2.gz SGOLDNGGCFLGRG-LMMKCTJWSA-N 2 1 353.457 3.122 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1 ZINC000497507406 502975899 /nfs/dbraw/zinc/97/58/99/502975899.db2.gz SGOLDNGGCFLGRG-LMMKCTJWSA-N 2 1 353.457 3.122 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc2ccccc12 ZINC000505760634 502980211 /nfs/dbraw/zinc/98/02/11/502980211.db2.gz VIOMMDVTHXRVMP-INIZCTEOSA-N 2 1 359.539 3.389 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000513613913 502980731 /nfs/dbraw/zinc/98/07/31/502980731.db2.gz UXXYXFZUJVTATP-FCHUYYIVSA-N 2 1 365.521 3.356 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(C)ccc2o1 ZINC000505760264 502980763 /nfs/dbraw/zinc/98/07/63/502980763.db2.gz OHIFNCZQOKFPCT-GOSISDBHSA-N 2 1 357.498 3.229 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000489604387 502995933 /nfs/dbraw/zinc/99/59/33/502995933.db2.gz XTOPQCROMAPFNT-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000489604387 502995939 /nfs/dbraw/zinc/99/59/39/502995939.db2.gz XTOPQCROMAPFNT-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489604387 502995945 /nfs/dbraw/zinc/99/59/45/502995945.db2.gz XTOPQCROMAPFNT-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000513690590 503001949 /nfs/dbraw/zinc/00/19/49/503001949.db2.gz KVSJRXCOWJONAZ-IXDOHACOSA-N 2 1 353.304 3.290 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCCC[C@H]1C ZINC000501519033 503028083 /nfs/dbraw/zinc/02/80/83/503028083.db2.gz UHDPIHCZUFFNRR-QZTJIDSGSA-N 2 1 352.567 3.203 20 0 FGADMP CN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489794125 503036361 /nfs/dbraw/zinc/03/63/61/503036361.db2.gz SHIYNOGLIPLBBS-NJDAHSKKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916555 503047717 /nfs/dbraw/zinc/04/77/17/503047717.db2.gz JHPVSKURJJIJIO-QWFCFKBJSA-N 2 1 357.542 3.276 20 0 FGADMP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000501742149 503070114 /nfs/dbraw/zinc/07/01/14/503070114.db2.gz MLBCWUCJKFKYJN-KRWDZBQOSA-N 2 1 367.484 3.120 20 0 FGADMP COCCOCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514100001 503088306 /nfs/dbraw/zinc/08/83/06/503088306.db2.gz SKBOSXXRPRDNAY-BHIFYINESA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000501833084 503089799 /nfs/dbraw/zinc/08/97/99/503089799.db2.gz RRNAOHNKNDXHDP-CRAIPNDOSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126813 503094676 /nfs/dbraw/zinc/09/46/76/503094676.db2.gz MIZNKWGOCKNJFL-WCIQWLHISA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000514126813 503094677 /nfs/dbraw/zinc/09/46/77/503094677.db2.gz MIZNKWGOCKNJFL-WCIQWLHISA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000514126813 503094682 /nfs/dbraw/zinc/09/46/82/503094682.db2.gz MIZNKWGOCKNJFL-WCIQWLHISA-N 2 1 366.594 3.307 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[NH+](C)C)cc1 ZINC000514133888 503095470 /nfs/dbraw/zinc/09/54/70/503095470.db2.gz DUTDSLFGRPKKTN-FPOVZHCZSA-N 2 1 374.573 3.409 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055289 503096619 /nfs/dbraw/zinc/09/66/19/503096619.db2.gz ODIIOLTZGVYFAG-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000498055289 503096622 /nfs/dbraw/zinc/09/66/22/503096622.db2.gz ODIIOLTZGVYFAG-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000498055289 503096627 /nfs/dbraw/zinc/09/66/27/503096627.db2.gz ODIIOLTZGVYFAG-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000498055289 503096631 /nfs/dbraw/zinc/09/66/31/503096631.db2.gz ODIIOLTZGVYFAG-ICSRJNTNSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000514145589 503098455 /nfs/dbraw/zinc/09/84/55/503098455.db2.gz OLPNOVNWIKLKAA-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000514145589 503098459 /nfs/dbraw/zinc/09/84/59/503098459.db2.gz OLPNOVNWIKLKAA-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000514145589 503098462 /nfs/dbraw/zinc/09/84/62/503098462.db2.gz OLPNOVNWIKLKAA-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000506352950 503099562 /nfs/dbraw/zinc/09/95/62/503099562.db2.gz LKPNADKNPOAQBM-QHCPKHFHSA-N 2 1 365.521 3.402 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000506352950 503099564 /nfs/dbraw/zinc/09/95/64/503099564.db2.gz LKPNADKNPOAQBM-QHCPKHFHSA-N 2 1 365.521 3.402 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506471225 503120890 /nfs/dbraw/zinc/12/08/90/503120890.db2.gz CUJSQGBLJRTQRQ-HGJUEJDCSA-N 2 1 363.590 3.466 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000498170344 503124450 /nfs/dbraw/zinc/12/44/50/503124450.db2.gz CFRYWQWRMNCYKX-SFHVURJKSA-N 2 1 374.529 3.109 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@@H]1C ZINC000498229278 503136842 /nfs/dbraw/zinc/13/68/42/503136842.db2.gz VRXWGLINKSZJOO-OALUTQOASA-N 2 1 372.557 3.084 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000498249937 503142388 /nfs/dbraw/zinc/14/23/88/503142388.db2.gz GOPNMQMSSVYKQN-MSOLQXFVSA-N 2 1 360.546 3.153 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000498259767 503145498 /nfs/dbraw/zinc/14/54/98/503145498.db2.gz OFGHLSBBNXDUED-ROUUACIJSA-N 2 1 360.546 3.153 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccc2)CC12CCOCC2 ZINC000582666089 506355301 /nfs/dbraw/zinc/35/53/01/506355301.db2.gz IWUVLWIAFZZKSI-NRFANRHFSA-N 2 1 366.505 3.453 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000514668551 503162969 /nfs/dbraw/zinc/16/29/69/503162969.db2.gz IMUKAZIZDWGVPD-WWPVKYPJSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000514668551 503162972 /nfs/dbraw/zinc/16/29/72/503162972.db2.gz IMUKAZIZDWGVPD-WWPVKYPJSA-N 2 1 368.521 3.207 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000498379287 503173980 /nfs/dbraw/zinc/17/39/80/503173980.db2.gz YDHVWBBGBYHNJM-LJQANCHMSA-N 2 1 363.521 3.276 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510707811 503176742 /nfs/dbraw/zinc/17/67/42/503176742.db2.gz YQUJEIZLSXLRIY-LEWJYISDSA-N 2 1 371.525 3.016 20 0 FGADMP COc1c(O)cccc1C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000490569607 503197182 /nfs/dbraw/zinc/19/71/82/503197182.db2.gz OXGRDYRUNAVTQJ-CALCHBBNSA-N 2 1 362.514 3.112 20 0 FGADMP CCc1ccc(CN2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000498650322 503232497 /nfs/dbraw/zinc/23/24/97/503232497.db2.gz YNUWHCNUSDGSAJ-KRWDZBQOSA-N 2 1 363.571 3.219 20 0 FGADMP Cc1c(C)n(Cc2ccco2)c2nc[nH+]c(NCCNc3cc[nH+]cc3)c12 ZINC000502696403 503253292 /nfs/dbraw/zinc/25/32/92/503253292.db2.gz DYAMHVAFXMGYNG-UHFFFAOYSA-N 2 1 362.437 3.030 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CCC=C(c4ccco4)C3)c2cc1C ZINC000511108826 503256584 /nfs/dbraw/zinc/25/65/84/503256584.db2.gz QPFYLLQKMSSNOV-GOSISDBHSA-N 2 1 351.450 3.396 20 0 FGADMP CCC(CC)(CNC(=O)NCCn1cc[nH+]c1C)[NH2+][C@@H](C)c1ccccc1 ZINC000502816838 503280080 /nfs/dbraw/zinc/28/00/80/503280080.db2.gz UFQQCYOPKDGATB-KRWDZBQOSA-N 2 1 371.529 3.400 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000502842851 503286614 /nfs/dbraw/zinc/28/66/14/503286614.db2.gz MFYLJUIHONPKNY-ICSRJNTNSA-N 2 1 360.546 3.101 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@H]3C)cc2)C1 ZINC000502937583 503311418 /nfs/dbraw/zinc/31/14/18/503311418.db2.gz WBHKKVHQKZSBJM-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@H+](C)CC[C@H]3C)cc2)C1 ZINC000502937583 503311422 /nfs/dbraw/zinc/31/14/22/503311422.db2.gz WBHKKVHQKZSBJM-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)CC[C@H]3C)cc2)C1 ZINC000502937583 503311426 /nfs/dbraw/zinc/31/14/26/503311426.db2.gz WBHKKVHQKZSBJM-RTBURBONSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@@H]1C ZINC000499088049 503330779 /nfs/dbraw/zinc/33/07/79/503330779.db2.gz CNMFPBJOPCSZNZ-YESZJQIVSA-N 2 1 364.559 3.009 20 0 FGADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000515437208 503337762 /nfs/dbraw/zinc/33/77/62/503337762.db2.gz RPMQTBKESWPBBW-UHFFFAOYSA-N 2 1 374.525 3.222 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000503058668 503338665 /nfs/dbraw/zinc/33/86/65/503338665.db2.gz LMHIYSOCKCELIZ-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000503058668 503338668 /nfs/dbraw/zinc/33/86/68/503338668.db2.gz LMHIYSOCKCELIZ-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000503058668 503338673 /nfs/dbraw/zinc/33/86/73/503338673.db2.gz LMHIYSOCKCELIZ-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000503074697 503341396 /nfs/dbraw/zinc/34/13/96/503341396.db2.gz MOCPHOOKTZTAKH-UHFFFAOYSA-N 2 1 366.259 3.205 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2c(c(Br)c1)OCO2 ZINC000503074697 503341399 /nfs/dbraw/zinc/34/13/99/503341399.db2.gz MOCPHOOKTZTAKH-UHFFFAOYSA-N 2 1 366.259 3.205 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562917 503344157 /nfs/dbraw/zinc/34/41/57/503344157.db2.gz XFXRSVABDWITCM-FXAWDEMLSA-N 2 1 372.557 3.069 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000503093941 503344819 /nfs/dbraw/zinc/34/48/19/503344819.db2.gz ZSDJFZLYXKNKOR-CEWLAPEOSA-N 2 1 372.557 3.386 20 0 FGADMP CC[C@H](c1cccc(OC)c1)[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000515475895 503346297 /nfs/dbraw/zinc/34/62/97/503346297.db2.gz GOMRBLDUQBQVSU-HXUWFJFHSA-N 2 1 361.530 3.067 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000511677200 503368031 /nfs/dbraw/zinc/36/80/31/503368031.db2.gz HWARWAYOFKBGHD-DYESRHJHSA-N 2 1 351.494 3.314 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000503222936 503370741 /nfs/dbraw/zinc/37/07/41/503370741.db2.gz MUCJRGWDRCKQIY-LPHOPBHVSA-N 2 1 359.518 3.374 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238536 503375373 /nfs/dbraw/zinc/37/53/73/503375373.db2.gz ZMPDCEKPJIRLFU-WSTZPKSXSA-N 2 1 363.933 3.466 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238536 503375376 /nfs/dbraw/zinc/37/53/76/503375376.db2.gz ZMPDCEKPJIRLFU-WSTZPKSXSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238536 503375378 /nfs/dbraw/zinc/37/53/78/503375378.db2.gz ZMPDCEKPJIRLFU-WSTZPKSXSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccc(Cl)cc1 ZINC000503238536 503375381 /nfs/dbraw/zinc/37/53/81/503375381.db2.gz ZMPDCEKPJIRLFU-WSTZPKSXSA-N 2 1 363.933 3.466 20 0 FGADMP CCc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000511738258 503378690 /nfs/dbraw/zinc/37/86/90/503378690.db2.gz FRJYTIUALUBROE-UHFFFAOYSA-N 2 1 357.542 3.202 20 0 FGADMP CCc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)cc1 ZINC000511738258 503378694 /nfs/dbraw/zinc/37/86/94/503378694.db2.gz FRJYTIUALUBROE-UHFFFAOYSA-N 2 1 357.542 3.202 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000511816807 503393318 /nfs/dbraw/zinc/39/33/18/503393318.db2.gz GZOCDZSNDOGFAZ-JOCHJYFZSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H](NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000503385942 503398452 /nfs/dbraw/zinc/39/84/52/503398452.db2.gz KNMUSOPOFMRHSK-WDSOQIARSA-N 2 1 360.546 3.097 20 0 FGADMP CN(C[C@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922969 503420709 /nfs/dbraw/zinc/42/07/09/503420709.db2.gz VTVXCVOCUCUYLJ-WBVHZDCISA-N 2 1 358.404 3.081 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922969 503420711 /nfs/dbraw/zinc/42/07/11/503420711.db2.gz VTVXCVOCUCUYLJ-WBVHZDCISA-N 2 1 358.404 3.081 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922969 503420713 /nfs/dbraw/zinc/42/07/13/503420713.db2.gz VTVXCVOCUCUYLJ-WBVHZDCISA-N 2 1 358.404 3.081 20 0 FGADMP O=S(=O)(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(Cl)cc1 ZINC000516046000 503437022 /nfs/dbraw/zinc/43/70/22/503437022.db2.gz GEUNPIUILIMTFZ-RCCFBDPRSA-N 2 1 370.946 3.014 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000508141299 503440049 /nfs/dbraw/zinc/44/00/49/503440049.db2.gz MJOURAWJRNZKDA-CQSZACIVSA-N 2 1 360.454 3.050 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@H+](Cc3cccs3)C2)s1 ZINC000512097533 503456490 /nfs/dbraw/zinc/45/64/90/503456490.db2.gz FKTKIURZODYSKG-HNNXBMFYSA-N 2 1 364.584 3.268 20 0 FGADMP C[NH+](C)Cc1cnc(CNC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000512097533 503456492 /nfs/dbraw/zinc/45/64/92/503456492.db2.gz FKTKIURZODYSKG-HNNXBMFYSA-N 2 1 364.584 3.268 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](C)C ZINC000493924142 503459827 /nfs/dbraw/zinc/45/98/27/503459827.db2.gz BFEXLBNCVSPKIJ-DYXWJJEUSA-N 2 1 374.573 3.406 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998972 503472929 /nfs/dbraw/zinc/47/29/29/503472929.db2.gz GTLHAQXSUWXAIQ-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998972 503472930 /nfs/dbraw/zinc/47/29/30/503472930.db2.gz GTLHAQXSUWXAIQ-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998972 503472931 /nfs/dbraw/zinc/47/29/31/503472931.db2.gz GTLHAQXSUWXAIQ-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)c1ccccc1 ZINC000493998972 503472932 /nfs/dbraw/zinc/47/29/32/503472932.db2.gz GTLHAQXSUWXAIQ-QIJUGHKUSA-N 2 1 365.521 3.459 20 0 FGADMP COc1ccc([C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000508375460 503484998 /nfs/dbraw/zinc/48/49/98/503484998.db2.gz GESADYADKYQMTJ-IIMDRIAPSA-N 2 1 373.541 3.210 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)([NH+](C)C)C1 ZINC000516394664 503507286 /nfs/dbraw/zinc/50/72/86/503507286.db2.gz HUDYETDREPOTCP-UZKOGDIHSA-N 2 1 357.542 3.278 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000608013374 506376703 /nfs/dbraw/zinc/37/67/03/506376703.db2.gz ARTOXFFNMWLPAM-RTWAWAEBSA-N 2 1 355.526 3.128 20 0 FGADMP CC[C@@H](c1ccccc1)[N@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508672927 503540888 /nfs/dbraw/zinc/54/08/88/503540888.db2.gz UEHYQZNQXJLPIB-FQEVSTJZSA-N 2 1 353.514 3.202 20 0 FGADMP CC[C@@H](c1ccccc1)[N@@H+](CC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000508672927 503540892 /nfs/dbraw/zinc/54/08/92/503540892.db2.gz UEHYQZNQXJLPIB-FQEVSTJZSA-N 2 1 353.514 3.202 20 0 FGADMP Cc1ccc(CC[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512474957 503564665 /nfs/dbraw/zinc/56/46/65/503564665.db2.gz OPLXEDAYDLRCJN-XMMPIXPASA-N 2 1 363.549 3.430 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)Oc2cc(F)cc(F)c2)s1 ZINC000512580341 503588312 /nfs/dbraw/zinc/58/83/12/503588312.db2.gz ASQWMZOIXJBGMT-UHFFFAOYSA-N 2 1 355.454 3.430 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500250543 503588986 /nfs/dbraw/zinc/58/89/86/503588986.db2.gz OQKHHPLSLNIGDX-RBUKOAKNSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C[NH+]1CCC[C@@H](OCC2CC2)C1)C[N@H+]1CCC[C@@H](OCC2CC2)C1 ZINC000494704627 503597295 /nfs/dbraw/zinc/59/72/95/503597295.db2.gz SVJFEACUVHXWEO-FGZHOGPDSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601342 /nfs/dbraw/zinc/60/13/42/503601342.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601345 /nfs/dbraw/zinc/60/13/45/503601345.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601347 /nfs/dbraw/zinc/60/13/47/503601347.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601349 /nfs/dbraw/zinc/60/13/49/503601349.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642488 503601352 /nfs/dbraw/zinc/60/13/52/503601352.db2.gz QDXYFIFXHXBJQO-AQERJUQKSA-N 2 1 353.554 3.359 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)(F)F ZINC000512653205 503604204 /nfs/dbraw/zinc/60/42/04/503604204.db2.gz DEORUCWNVZYMNV-GUDVDZBRSA-N 2 1 369.475 3.371 20 0 FGADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cc2c(cc1Br)OCCO2 ZINC000516877981 503607066 /nfs/dbraw/zinc/60/70/66/503607066.db2.gz SUDXIMDQIAARTE-SRVKXCTJSA-N 2 1 355.276 3.141 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000508961424 503608793 /nfs/dbraw/zinc/60/87/93/503608793.db2.gz BPSPFRSXJTZBLB-KRWDZBQOSA-N 2 1 371.525 3.494 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000500440569 503625124 /nfs/dbraw/zinc/62/51/24/503625124.db2.gz WJKLBYUXNRRGAE-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000516959360 503631264 /nfs/dbraw/zinc/63/12/64/503631264.db2.gz LJTYAIKPIXTFOB-DYESRHJHSA-N 2 1 372.557 3.248 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@H]21 ZINC000516971512 503634370 /nfs/dbraw/zinc/63/43/70/503634370.db2.gz ZQPMDZSUNPKOFS-NEYJZJCJSA-N 2 1 369.534 3.013 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@H]21 ZINC000516971512 503634374 /nfs/dbraw/zinc/63/43/74/503634374.db2.gz ZQPMDZSUNPKOFS-NEYJZJCJSA-N 2 1 369.534 3.013 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2cc(F)ccc2F)[C@H](c2ccccc2)C1 ZINC000512819884 503639587 /nfs/dbraw/zinc/63/95/87/503639587.db2.gz FHLRIUOEVZFHMM-NRFANRHFSA-N 2 1 359.464 3.433 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000532953191 503673187 /nfs/dbraw/zinc/67/31/87/503673187.db2.gz URWBFSSIHYKPJV-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000532953191 503673196 /nfs/dbraw/zinc/67/31/96/503673196.db2.gz URWBFSSIHYKPJV-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000532953191 503673203 /nfs/dbraw/zinc/67/32/03/503673203.db2.gz URWBFSSIHYKPJV-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000532953191 503673211 /nfs/dbraw/zinc/67/32/11/503673211.db2.gz URWBFSSIHYKPJV-HKUYNNGSSA-N 2 1 371.550 3.268 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000495122868 503675134 /nfs/dbraw/zinc/67/51/34/503675134.db2.gz TVWFJJOFKDFMLT-AZUAARDMSA-N 2 1 357.542 3.450 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000540244948 503722831 /nfs/dbraw/zinc/72/28/31/503722831.db2.gz LGKUIKNJYNQGGR-RTBURBONSA-N 2 1 360.542 3.339 20 0 FGADMP C[C@H](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000517366679 503727179 /nfs/dbraw/zinc/72/71/79/503727179.db2.gz NZWCKCYGJSSPBE-MYAZKZQCSA-N 2 1 357.542 3.167 20 0 FGADMP C[C@H](CCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCC1 ZINC000543351633 503735093 /nfs/dbraw/zinc/73/50/93/503735093.db2.gz MAVNLUGOYFTRHM-HSALFYBXSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)N1CCC[N@H+](C3CCCC3)CC1)C2 ZINC000527248206 503738731 /nfs/dbraw/zinc/73/87/31/503738731.db2.gz XHFOQPQOCWMJIR-MRXNPFEDSA-N 2 1 358.530 3.115 20 0 FGADMP Cc1cc([C@H]([NH2+]CCCCN2CC[NH+](C)CC2)c2cccnc2)ccc1F ZINC000543405294 503758049 /nfs/dbraw/zinc/75/80/49/503758049.db2.gz WIALRBMCUGYLFY-QFIPXVFZSA-N 2 1 370.516 3.236 20 0 FGADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000530023201 503795698 /nfs/dbraw/zinc/79/56/98/503795698.db2.gz CRYWQYUSHJGCMN-WIYYLYMNSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023201 503795702 /nfs/dbraw/zinc/79/57/02/503795702.db2.gz CRYWQYUSHJGCMN-WIYYLYMNSA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023201 503795707 /nfs/dbraw/zinc/79/57/07/503795707.db2.gz CRYWQYUSHJGCMN-WIYYLYMNSA-N 2 1 373.516 3.171 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000530032464 503805329 /nfs/dbraw/zinc/80/53/29/503805329.db2.gz ICGYYVKJVQUFIT-RVSPLBMKSA-N 2 1 372.340 3.443 20 0 FGADMP CC[N@H+](CC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547991 503884520 /nfs/dbraw/zinc/88/45/20/503884520.db2.gz OBNFYPOTZFYCKA-ROUUACIJSA-N 2 1 371.525 3.304 20 0 FGADMP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547991 503884528 /nfs/dbraw/zinc/88/45/28/503884528.db2.gz OBNFYPOTZFYCKA-ROUUACIJSA-N 2 1 371.525 3.304 20 0 FGADMP CC[N@H+](CC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547990 503884763 /nfs/dbraw/zinc/88/47/63/503884763.db2.gz OBNFYPOTZFYCKA-QZTJIDSGSA-N 2 1 371.525 3.304 20 0 FGADMP CC[N@@H+](CC[NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547990 503884768 /nfs/dbraw/zinc/88/47/68/503884768.db2.gz OBNFYPOTZFYCKA-QZTJIDSGSA-N 2 1 371.525 3.304 20 0 FGADMP COc1cccc([C@H]2C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2(C)C)c1 ZINC000530231712 503885068 /nfs/dbraw/zinc/88/50/68/503885068.db2.gz SUDYMVRAUKJDLD-FSSWDIPSSA-N 2 1 368.521 3.052 20 0 FGADMP Fc1ccccc1-c1cnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)o1 ZINC000530239354 503889129 /nfs/dbraw/zinc/88/91/29/503889129.db2.gz FJXYXYNHSPZNOQ-INIZCTEOSA-N 2 1 359.445 3.071 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)[C@]12CCCO2 ZINC000546870288 503909740 /nfs/dbraw/zinc/90/97/40/503909740.db2.gz FGYGTLRJLRUQMZ-PYYGYTMVSA-N 2 1 370.537 3.213 20 0 FGADMP CN(CCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)c1cc[nH+]cc1 ZINC000540925684 503940833 /nfs/dbraw/zinc/94/08/33/503940833.db2.gz LNDNYQSHZYDSNK-UHFFFAOYSA-N 2 1 352.482 3.183 20 0 FGADMP CCn1nncc1C[NH2+][C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000527920304 503999121 /nfs/dbraw/zinc/99/91/21/503999121.db2.gz NSWBIWRCNAMGSD-INIZCTEOSA-N 2 1 357.502 3.143 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696395 504007671 /nfs/dbraw/zinc/00/76/71/504007671.db2.gz GHUSFLZBIQQZIJ-BHIYHBOVSA-N 2 1 357.523 3.494 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696395 504007676 /nfs/dbraw/zinc/00/76/76/504007676.db2.gz GHUSFLZBIQQZIJ-BHIYHBOVSA-N 2 1 357.523 3.494 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696398 504008256 /nfs/dbraw/zinc/00/82/56/504008256.db2.gz GHUSFLZBIQQZIJ-NEWSRXKRSA-N 2 1 357.523 3.494 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc(-c2ccccc2)s1 ZINC000537696398 504008262 /nfs/dbraw/zinc/00/82/62/504008262.db2.gz GHUSFLZBIQQZIJ-NEWSRXKRSA-N 2 1 357.523 3.494 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000518626358 504030695 /nfs/dbraw/zinc/03/06/95/504030695.db2.gz SRTDLWRXSGDHTE-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937258 504089053 /nfs/dbraw/zinc/08/90/53/504089053.db2.gz DBQWDEVDCPUUPV-TYNCELHUSA-N 2 1 369.303 3.039 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000537937258 504089060 /nfs/dbraw/zinc/08/90/60/504089060.db2.gz DBQWDEVDCPUUPV-TYNCELHUSA-N 2 1 369.303 3.039 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000544377015 504108505 /nfs/dbraw/zinc/10/85/05/504108505.db2.gz HODUNZYLUMACKD-COXVUDFISA-N 2 1 351.922 3.368 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000544377015 504108508 /nfs/dbraw/zinc/10/85/08/504108508.db2.gz HODUNZYLUMACKD-COXVUDFISA-N 2 1 351.922 3.368 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000544377016 504108691 /nfs/dbraw/zinc/10/86/91/504108691.db2.gz HODUNZYLUMACKD-KBRIMQKVSA-N 2 1 351.922 3.368 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000544377016 504108696 /nfs/dbraw/zinc/10/86/96/504108696.db2.gz HODUNZYLUMACKD-KBRIMQKVSA-N 2 1 351.922 3.368 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021661 504117352 /nfs/dbraw/zinc/11/73/52/504117352.db2.gz UIBCDEWFCNCQDI-SMKXDYDZSA-N 2 1 369.431 3.129 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021661 504117355 /nfs/dbraw/zinc/11/73/55/504117355.db2.gz UIBCDEWFCNCQDI-SMKXDYDZSA-N 2 1 369.431 3.129 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000530904940 504125224 /nfs/dbraw/zinc/12/52/24/504125224.db2.gz SROVAUUZNOTIST-BEFAXECRSA-N 2 1 354.922 3.195 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)CC1 ZINC000530904940 504125230 /nfs/dbraw/zinc/12/52/30/504125230.db2.gz SROVAUUZNOTIST-BEFAXECRSA-N 2 1 354.922 3.195 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555688 504172500 /nfs/dbraw/zinc/17/25/00/504172500.db2.gz JQWZYZFIDOAEHR-UGKGYDQZSA-N 2 1 371.569 3.178 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000538261447 504180303 /nfs/dbraw/zinc/18/03/03/504180303.db2.gz UQLHPLXKJRYFST-UYAOXDASSA-N 2 1 357.542 3.439 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000541591209 504191148 /nfs/dbraw/zinc/19/11/48/504191148.db2.gz UWRVUIQVDDZFNC-SFHVURJKSA-N 2 1 368.949 3.440 20 0 FGADMP CC(C)(C)[C@H]1CC[N@@H+](CCCC[NH+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@@H]1O ZINC000541618150 504202546 /nfs/dbraw/zinc/20/25/46/504202546.db2.gz LBLAHZOBHIZDRE-FGYAAKKASA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@@H]1O ZINC000541618150 504202551 /nfs/dbraw/zinc/20/25/51/504202551.db2.gz LBLAHZOBHIZDRE-FGYAAKKASA-N 2 1 368.606 3.224 20 0 FGADMP CC(C)(C)[C@H]1CC[NH+](CCCC[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)C[C@@H]1O ZINC000541618150 504202556 /nfs/dbraw/zinc/20/25/56/504202556.db2.gz LBLAHZOBHIZDRE-FGYAAKKASA-N 2 1 368.606 3.224 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000534721169 504223903 /nfs/dbraw/zinc/22/39/03/504223903.db2.gz KRGBQOZHLIZBFS-RTWAWAEBSA-N 2 1 372.557 3.195 20 0 FGADMP CC[C@H](C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1)[NH+](CC)CC ZINC000531293173 504253529 /nfs/dbraw/zinc/25/35/29/504253529.db2.gz AIKVTZIQRLSPHS-GOSISDBHSA-N 2 1 367.578 3.037 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000531292720 504254496 /nfs/dbraw/zinc/25/44/96/504254496.db2.gz DIWOOGMLVGKFQF-SFTDATJTSA-N 2 1 355.526 3.128 20 0 FGADMP CC(C)(C(=O)N1CC[NH+](CCc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000519707212 504311353 /nfs/dbraw/zinc/31/13/53/504311353.db2.gz IJBPGNNZFNEASS-OAQYLSRUSA-N 2 1 365.521 3.100 20 0 FGADMP C[N@H+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC12CCCCC2 ZINC000519709580 504311635 /nfs/dbraw/zinc/31/16/35/504311635.db2.gz QGUNEELTLWHAFT-UHFFFAOYSA-N 2 1 370.585 3.149 20 0 FGADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000548061597 504315661 /nfs/dbraw/zinc/31/56/61/504315661.db2.gz VGNARNSWVLNKFE-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000548061597 504315665 /nfs/dbraw/zinc/31/56/65/504315665.db2.gz VGNARNSWVLNKFE-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000548061597 504315667 /nfs/dbraw/zinc/31/56/67/504315667.db2.gz VGNARNSWVLNKFE-SFHVURJKSA-N 2 1 357.542 3.204 20 0 FGADMP COc1ccc2oc(C[NH+]3CCN(C4CC[NH+](C(C)C)CC4)CC3)cc2c1 ZINC000538724647 504344490 /nfs/dbraw/zinc/34/44/90/504344490.db2.gz UWELZUUHRLFFBT-UHFFFAOYSA-N 2 1 371.525 3.432 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548158937 504352325 /nfs/dbraw/zinc/35/23/25/504352325.db2.gz LWUCJPHSPKVJNI-PMOQBDJRSA-N 2 1 352.522 3.480 20 0 FGADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000528740619 504360368 /nfs/dbraw/zinc/36/03/68/504360368.db2.gz BYSQSCUTEOFSLW-HXUWFJFHSA-N 2 1 373.516 3.137 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C)Cc3ccn(C(C)C)n3)CCCC2)CC1 ZINC000542153523 504383321 /nfs/dbraw/zinc/38/33/21/504383321.db2.gz HQAIEEDNTDEOPT-GOSISDBHSA-N 2 1 362.562 3.408 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCCC12CC2 ZINC000528803232 504390217 /nfs/dbraw/zinc/39/02/17/504390217.db2.gz YZGYREBMVNXBHG-FQEVSTJZSA-N 2 1 361.574 3.221 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000531683193 504392106 /nfs/dbraw/zinc/39/21/06/504392106.db2.gz WANKWGBWJUCROO-FQEVSTJZSA-N 2 1 359.558 3.260 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)C[N@H+]1C1CC1 ZINC000528808526 504393869 /nfs/dbraw/zinc/39/38/69/504393869.db2.gz OUVQEFMJNDLYSK-BJZITVGISA-N 2 1 361.917 3.046 20 0 FGADMP O=C(Nc1cnccc1-n1cccn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520315623 504464137 /nfs/dbraw/zinc/46/41/37/504464137.db2.gz BVTYBUCRCKCDDR-GOSISDBHSA-N 2 1 361.449 3.118 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccco2)CC1)CC(C)C ZINC000539098388 504471835 /nfs/dbraw/zinc/47/18/35/504471835.db2.gz CVUWOMVTNKDMEK-UHFFFAOYSA-N 2 1 363.546 3.318 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000531944282 504482626 /nfs/dbraw/zinc/48/26/26/504482626.db2.gz WBGRLVZPKLEXFG-PKOBYXMFSA-N 2 1 358.530 3.071 20 0 FGADMP C[C@@H](c1ccccc1F)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148303 504487177 /nfs/dbraw/zinc/48/71/77/504487177.db2.gz LZWALLCSZCGYLX-KSZLIROESA-N 2 1 364.505 3.477 20 0 FGADMP C[C@@H](c1ccccc1F)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000539148303 504487181 /nfs/dbraw/zinc/48/71/81/504487181.db2.gz LZWALLCSZCGYLX-KSZLIROESA-N 2 1 364.505 3.477 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C/C=C\c3ccccc3)CC2)C[C@@H](C)O1 ZINC000539148437 504488072 /nfs/dbraw/zinc/48/80/72/504488072.db2.gz VTOIGCLWRNRRQO-ZNIXBBRXSA-N 2 1 358.526 3.290 20 0 FGADMP Cc1ccc(Cl)cc1NC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548627654 504501556 /nfs/dbraw/zinc/50/15/56/504501556.db2.gz IPNQFYLBDGQVOT-UHFFFAOYSA-N 2 1 359.861 3.439 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)C[C@@H](C)O1 ZINC000542495545 504513212 /nfs/dbraw/zinc/51/32/12/504513212.db2.gz XPIXLCZQFSZRHA-CBGDNZLLSA-N 2 1 372.488 3.184 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000545521043 504514980 /nfs/dbraw/zinc/51/49/80/504514980.db2.gz IZSBUBMHICFLNI-NRFANRHFSA-N 2 1 359.558 3.080 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506817 504517533 /nfs/dbraw/zinc/51/75/33/504517533.db2.gz RMUPPRIVHYVSBX-ULQDDVLXSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506817 504517539 /nfs/dbraw/zinc/51/75/39/504517539.db2.gz RMUPPRIVHYVSBX-ULQDDVLXSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cc(C)ccc2Cl)C[C@@H]1C ZINC000542506817 504517547 /nfs/dbraw/zinc/51/75/47/504517547.db2.gz RMUPPRIVHYVSBX-ULQDDVLXSA-N 2 1 354.922 3.193 20 0 FGADMP CCSc1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000535723543 504519791 /nfs/dbraw/zinc/51/97/91/504519791.db2.gz CHEZOANKZLHWDX-UHFFFAOYSA-N 2 1 356.495 3.198 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccsc1 ZINC000520554637 504526944 /nfs/dbraw/zinc/52/69/44/504526944.db2.gz IUJDTDHEPFQIFC-SFHVURJKSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534346 504530251 /nfs/dbraw/zinc/53/02/51/504530251.db2.gz STQABIYTYDCYDE-NSHGMRRFSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H](c1ccccc1)N(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534346 504530255 /nfs/dbraw/zinc/53/02/55/504530255.db2.gz STQABIYTYDCYDE-NSHGMRRFSA-N 2 1 357.542 3.449 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542677456 504573775 /nfs/dbraw/zinc/57/37/75/504573775.db2.gz ITWSHRAGOLIFKR-LJQANCHMSA-N 2 1 363.933 3.250 20 0 FGADMP COC(=O)c1occc1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000539528805 504599887 /nfs/dbraw/zinc/59/98/87/504599887.db2.gz RHGUQWBLNGANOE-WMZOPIPTSA-N 2 1 356.466 3.457 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncccc1Cl ZINC000532296871 504601883 /nfs/dbraw/zinc/60/18/83/504601883.db2.gz YSEMXUYAHMMNQE-UHFFFAOYSA-N 2 1 350.938 3.368 20 0 FGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000542782861 504608484 /nfs/dbraw/zinc/60/84/84/504608484.db2.gz FPCNDEMXBIEJMF-GOSISDBHSA-N 2 1 354.494 3.060 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000521001672 504626850 /nfs/dbraw/zinc/62/68/50/504626850.db2.gz IFPRFIHQLZRTNN-OALUTQOASA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532447051 504654620 /nfs/dbraw/zinc/65/46/20/504654620.db2.gz MTLTYWXETAGPGI-MNEFBYGVSA-N 2 1 363.933 3.293 20 0 FGADMP CC[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448701 504655433 /nfs/dbraw/zinc/65/54/33/504655433.db2.gz VTAKJKYASJAITL-AZUAARDMSA-N 2 1 359.514 3.016 20 0 FGADMP CC(C)N1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000539697229 504655815 /nfs/dbraw/zinc/65/58/15/504655815.db2.gz CGZCZWSXKWXOQR-MJGOQNOKSA-N 2 1 369.912 3.459 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532522458 504681290 /nfs/dbraw/zinc/68/12/90/504681290.db2.gz SNLAXZMJULXFLG-WWGRRREGSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532522458 504681295 /nfs/dbraw/zinc/68/12/95/504681295.db2.gz SNLAXZMJULXFLG-WWGRRREGSA-N 2 1 368.319 3.239 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529498672 504700049 /nfs/dbraw/zinc/70/00/49/504700049.db2.gz MNZBCTYEDZTIGX-ACBHZAAOSA-N 2 1 363.933 3.293 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000529498672 504700053 /nfs/dbraw/zinc/70/00/53/504700053.db2.gz MNZBCTYEDZTIGX-ACBHZAAOSA-N 2 1 363.933 3.293 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc3ncccc3c2)c2cccs2)CC1 ZINC000521332736 504711731 /nfs/dbraw/zinc/71/17/31/504711731.db2.gz OLCFZAWROGQHEP-FQEVSTJZSA-N 2 1 366.534 3.375 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000539852509 504717775 /nfs/dbraw/zinc/71/77/75/504717775.db2.gz TVPVKAYHTHSVPZ-FPOVZHCZSA-N 2 1 357.542 3.077 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000539851602 504718426 /nfs/dbraw/zinc/71/84/26/504718426.db2.gz VNBUZSJATWWNMS-QGZVFWFLSA-N 2 1 360.477 3.149 20 0 FGADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000532838155 504765040 /nfs/dbraw/zinc/76/50/40/504765040.db2.gz DCPYAQFBAGCDLW-MOPGFXCFSA-N 2 1 360.546 3.069 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584627 504765904 /nfs/dbraw/zinc/76/59/04/504765904.db2.gz VYZVCDWBWIYLKT-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584627 504765907 /nfs/dbraw/zinc/76/59/07/504765907.db2.gz VYZVCDWBWIYLKT-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1)CC1CC1 ZINC000536584627 504765909 /nfs/dbraw/zinc/76/59/09/504765909.db2.gz VYZVCDWBWIYLKT-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP OC[C@H](Cc1ccc(F)cc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000552920869 504787746 /nfs/dbraw/zinc/78/77/46/504787746.db2.gz OFERUPDOZCRIPY-QFIPXVFZSA-N 2 1 356.485 3.026 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076799 504791049 /nfs/dbraw/zinc/79/10/49/504791049.db2.gz RKVKDQYKUCENBD-HOTGVXAUSA-N 2 1 357.473 3.217 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000556124033 504801183 /nfs/dbraw/zinc/80/11/83/504801183.db2.gz WQZWFPGQXFXXOE-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[N@H+](C)CCCC1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000556124033 504801191 /nfs/dbraw/zinc/80/11/91/504801191.db2.gz WQZWFPGQXFXXOE-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[N@@H+](C)CCCC1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000556124033 504801193 /nfs/dbraw/zinc/80/11/93/504801193.db2.gz WQZWFPGQXFXXOE-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[NH+](C)CCCC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000556124033 504801199 /nfs/dbraw/zinc/80/11/99/504801199.db2.gz WQZWFPGQXFXXOE-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP COCC[NH+](C)CCCC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000556124033 504801202 /nfs/dbraw/zinc/80/12/02/504801202.db2.gz WQZWFPGQXFXXOE-HSZRJFAPSA-N 2 1 373.585 3.331 20 0 FGADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(-c2cnn(C)c2)c1 ZINC000549404606 504812168 /nfs/dbraw/zinc/81/21/68/504812168.db2.gz SHYLCWUJSWEVTE-CEMLEFRQSA-N 2 1 368.525 3.079 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000549426411 504819375 /nfs/dbraw/zinc/81/93/75/504819375.db2.gz RIDZRXBSUYXIES-LJQANCHMSA-N 2 1 363.590 3.469 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)[C@H]1c1ccccc1 ZINC000553211736 504853316 /nfs/dbraw/zinc/85/33/16/504853316.db2.gz FDWSGGPNCHNJAA-JAXLGGSGSA-N 2 1 374.488 3.493 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1)C1CC1 ZINC000553434942 504914387 /nfs/dbraw/zinc/91/43/87/504914387.db2.gz XQMNEBYVDZEOLY-UWJYYQICSA-N 2 1 355.526 3.370 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](c4ccccc4)C3)C2)nn1 ZINC000559787855 504928369 /nfs/dbraw/zinc/92/83/69/504928369.db2.gz QGPPGMJRVAEGGP-PCCBWWKXSA-N 2 1 365.525 3.179 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](c4ccccc4)C3)C2)nn1 ZINC000559787855 504928372 /nfs/dbraw/zinc/92/83/72/504928372.db2.gz QGPPGMJRVAEGGP-PCCBWWKXSA-N 2 1 365.525 3.179 20 0 FGADMP COc1ccncc1CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870622 504940980 /nfs/dbraw/zinc/94/09/80/504940980.db2.gz GXPCWSRFOCQEQJ-HLAWJBBLSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870622 504940981 /nfs/dbraw/zinc/94/09/81/504940981.db2.gz GXPCWSRFOCQEQJ-HLAWJBBLSA-N 2 1 351.494 3.481 20 0 FGADMP COc1ccncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000559870622 504940985 /nfs/dbraw/zinc/94/09/85/504940985.db2.gz GXPCWSRFOCQEQJ-HLAWJBBLSA-N 2 1 351.494 3.481 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652271 504949590 /nfs/dbraw/zinc/94/95/90/504949590.db2.gz DKCKBMVHJAZSPQ-KGLIPLIRSA-N 2 1 361.313 3.055 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000562810541 504954825 /nfs/dbraw/zinc/95/48/25/504954825.db2.gz JVHDELMKTBNCIV-HXUWFJFHSA-N 2 1 363.465 3.323 20 0 FGADMP CC[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000565733674 504971302 /nfs/dbraw/zinc/97/13/02/504971302.db2.gz INOOTSYYRZSQQK-NQIIRXRSSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733674 504971304 /nfs/dbraw/zinc/97/13/04/504971304.db2.gz INOOTSYYRZSQQK-NQIIRXRSSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000565733674 504971309 /nfs/dbraw/zinc/97/13/09/504971309.db2.gz INOOTSYYRZSQQK-NQIIRXRSSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](CC(F)(F)F)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565786027 504986899 /nfs/dbraw/zinc/98/68/99/504986899.db2.gz YULUOQFKIUPTOA-OAHLLOKOSA-N 2 1 363.468 3.030 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)Nc1cccc(C(F)(F)F)c1 ZINC000562986797 505011054 /nfs/dbraw/zinc/01/10/54/505011054.db2.gz RRHUNECIKAQSSY-UHFFFAOYSA-N 2 1 355.404 3.250 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@@H]1c1ccccc1 ZINC000550644634 505077647 /nfs/dbraw/zinc/07/76/47/505077647.db2.gz VWUUUXPWZHQWCO-NHCUHLMSSA-N 2 1 372.534 3.156 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(CS(C)(=O)=O)c2)C[C@@H]1c1ccccc1 ZINC000550644634 505077649 /nfs/dbraw/zinc/07/76/49/505077649.db2.gz VWUUUXPWZHQWCO-NHCUHLMSSA-N 2 1 372.534 3.156 20 0 FGADMP CCC[N@H+](C[C@@H]1CCCC[C@@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218070 505078775 /nfs/dbraw/zinc/07/87/75/505078775.db2.gz VSXKKGNYWMHPQD-ICSRJNTNSA-N 2 1 360.546 3.325 20 0 FGADMP CCC[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000563218070 505078781 /nfs/dbraw/zinc/07/87/81/505078781.db2.gz VSXKKGNYWMHPQD-ICSRJNTNSA-N 2 1 360.546 3.325 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000566106081 505082519 /nfs/dbraw/zinc/08/25/19/505082519.db2.gz GJGHLHQEYSSQGE-OTWHNJEPSA-N 2 1 373.541 3.255 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2)C[N@H+]1Cc1ccccc1 ZINC000550716232 505089767 /nfs/dbraw/zinc/08/97/67/505089767.db2.gz XXFVUVVZMDHJDL-HKUYNNGSSA-N 2 1 362.477 3.365 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000557339605 505111353 /nfs/dbraw/zinc/11/13/53/505111353.db2.gz XFCHLAGATKUSHR-CRAIPNDOSA-N 2 1 361.511 3.430 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000563352041 505117505 /nfs/dbraw/zinc/11/75/05/505117505.db2.gz GGUXEMWHTQTDHA-UHFFFAOYSA-N 2 1 357.498 3.168 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1F ZINC000566244453 505121464 /nfs/dbraw/zinc/12/14/64/505121464.db2.gz UXXUSAXJGKEFRT-XYJFISCASA-N 2 1 358.461 3.176 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1F ZINC000566244451 505121711 /nfs/dbraw/zinc/12/17/11/505121711.db2.gz UXXUSAXJGKEFRT-JZXOWHBKSA-N 2 1 358.461 3.176 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C(C)C)[C@@H]3C(C)C)CC2)CC1 ZINC000563409795 505135189 /nfs/dbraw/zinc/13/51/89/505135189.db2.gz SAAXCDBRBMHOFM-SFTDATJTSA-N 2 1 363.590 3.322 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000551004872 505141081 /nfs/dbraw/zinc/14/10/81/505141081.db2.gz ACTPQYNSEQPHCS-BPQIPLTHSA-N 2 1 355.448 3.296 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1c1ccccc1 ZINC000551004872 505141082 /nfs/dbraw/zinc/14/10/82/505141082.db2.gz ACTPQYNSEQPHCS-BPQIPLTHSA-N 2 1 355.448 3.296 20 0 FGADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441293 505177597 /nfs/dbraw/zinc/17/75/97/505177597.db2.gz DEACFGKVXNZFOJ-YJBOKZPZSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441293 505177598 /nfs/dbraw/zinc/17/75/98/505177598.db2.gz DEACFGKVXNZFOJ-YJBOKZPZSA-N 2 1 351.922 3.037 20 0 FGADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000551265432 505188245 /nfs/dbraw/zinc/18/82/45/505188245.db2.gz VKWODOHPQOZXKD-PMACEKPBSA-N 2 1 358.526 3.072 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000563667924 505205420 /nfs/dbraw/zinc/20/54/20/505205420.db2.gz XPUVHELGCLNZPH-AEFFLSMTSA-N 2 1 355.482 3.017 20 0 FGADMP C[C@H]1C[C@@H](C[N@H+]2C[C@H]3CCC[C@@]3(c3nc(-c4ccccc4)no3)C2)CC[NH2+]1 ZINC000560965871 505217574 /nfs/dbraw/zinc/21/75/74/505217574.db2.gz DJGFNSOJMBADBP-ZHDKGAKHSA-N 2 1 366.509 3.478 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551699533 505285469 /nfs/dbraw/zinc/28/54/69/505285469.db2.gz FZURDRWVNLFBLX-QHCPKHFHSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551699533 505285474 /nfs/dbraw/zinc/28/54/74/505285474.db2.gz FZURDRWVNLFBLX-QHCPKHFHSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000551699533 505285477 /nfs/dbraw/zinc/28/54/77/505285477.db2.gz FZURDRWVNLFBLX-QHCPKHFHSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699533 505285480 /nfs/dbraw/zinc/28/54/80/505285480.db2.gz FZURDRWVNLFBLX-QHCPKHFHSA-N 2 1 373.585 3.330 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699533 505285483 /nfs/dbraw/zinc/28/54/83/505285483.db2.gz FZURDRWVNLFBLX-QHCPKHFHSA-N 2 1 373.585 3.330 20 0 FGADMP C[N@@H+]1CC[C@@H](Nc2cc(N3CCCC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000561238370 505289144 /nfs/dbraw/zinc/28/91/44/505289144.db2.gz PWGDTHVUZBLFDN-VQIMIIECSA-N 2 1 359.424 3.212 20 0 FGADMP C[N@H+]1CC[C@@H](Nc2cc(N3CCCC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000561238370 505289148 /nfs/dbraw/zinc/28/91/48/505289148.db2.gz PWGDTHVUZBLFDN-VQIMIIECSA-N 2 1 359.424 3.212 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000551753814 505299545 /nfs/dbraw/zinc/29/95/45/505299545.db2.gz RPQJXJWXWOTDLY-HATOLVCRSA-N 2 1 361.574 3.077 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000551813595 505317080 /nfs/dbraw/zinc/31/70/80/505317080.db2.gz NFTPSWNGVJEREW-VXKWHMMOSA-N 2 1 357.542 3.360 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000561426530 505341536 /nfs/dbraw/zinc/34/15/36/505341536.db2.gz MRAGAWCKDJYKHO-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000561426530 505341538 /nfs/dbraw/zinc/34/15/38/505341538.db2.gz MRAGAWCKDJYKHO-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000561426530 505341540 /nfs/dbraw/zinc/34/15/40/505341540.db2.gz MRAGAWCKDJYKHO-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP COc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(Br)c1 ZINC000552111186 505403622 /nfs/dbraw/zinc/40/36/22/505403622.db2.gz VMSXZZOTWILERC-QGZVFWFLSA-N 2 1 353.304 3.375 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388624 505404266 /nfs/dbraw/zinc/40/42/66/505404266.db2.gz BOMBARKBWGVPCL-QZTJIDSGSA-N 2 1 367.331 3.335 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388624 505404268 /nfs/dbraw/zinc/40/42/68/505404268.db2.gz BOMBARKBWGVPCL-QZTJIDSGSA-N 2 1 367.331 3.335 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000555598415 505468998 /nfs/dbraw/zinc/46/89/98/505468998.db2.gz SLEMGQSMDIKFSO-MBOZVWFJSA-N 2 1 361.555 3.218 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000555598418 505469433 /nfs/dbraw/zinc/46/94/33/505469433.db2.gz SLEMGQSMDIKFSO-UWVAXJGDSA-N 2 1 361.555 3.218 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000555697066 505492523 /nfs/dbraw/zinc/49/25/23/505492523.db2.gz ROMZVGYONURQFT-RXVVDRJESA-N 2 1 369.553 3.278 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c(OC)n1 ZINC000562095047 505517420 /nfs/dbraw/zinc/51/74/20/505517420.db2.gz SOUPXLZOBNPEIR-XUVXKRRUSA-N 2 1 367.493 3.099 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(OC)n1 ZINC000562095047 505517422 /nfs/dbraw/zinc/51/74/22/505517422.db2.gz SOUPXLZOBNPEIR-XUVXKRRUSA-N 2 1 367.493 3.099 20 0 FGADMP Clc1ccc2nc(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)cn2c1 ZINC000564823955 505530152 /nfs/dbraw/zinc/53/01/52/505530152.db2.gz UPNRGDUVSMTZSJ-XLIONFOSSA-N 2 1 368.868 3.333 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000562227685 505544940 /nfs/dbraw/zinc/54/49/40/505544940.db2.gz CBLVGWISAVGYPQ-UHFFFAOYSA-N 2 1 352.482 3.039 20 0 FGADMP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564931348 505560694 /nfs/dbraw/zinc/56/06/94/505560694.db2.gz GOLIQQQOTGJWMN-SFTDATJTSA-N 2 1 369.553 3.409 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000567866383 505569258 /nfs/dbraw/zinc/56/92/58/505569258.db2.gz VKHGNIOIBKZKEP-UHFFFAOYSA-N 2 1 368.312 3.396 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000582838287 506448805 /nfs/dbraw/zinc/44/88/05/506448805.db2.gz DICVIBIRSMIHDN-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)CC1 ZINC000582838287 506448809 /nfs/dbraw/zinc/44/88/09/506448809.db2.gz DICVIBIRSMIHDN-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)CC1 ZINC000582838287 506448815 /nfs/dbraw/zinc/44/88/15/506448815.db2.gz DICVIBIRSMIHDN-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C ZINC000603307830 506482020 /nfs/dbraw/zinc/48/20/20/506482020.db2.gz XMFOIRASVAGERK-QZTJIDSGSA-N 2 1 361.530 3.010 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000603307828 506482513 /nfs/dbraw/zinc/48/25/13/506482513.db2.gz XMFOIRASVAGERK-MSOLQXFVSA-N 2 1 361.530 3.010 20 0 FGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)cc1 ZINC000596651507 506511679 /nfs/dbraw/zinc/51/16/79/506511679.db2.gz VBNILCCAKKLRPI-QCFFRYAUSA-N 2 1 374.525 3.098 20 0 FGADMP CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583029437 506550226 /nfs/dbraw/zinc/55/02/26/506550226.db2.gz PUKIANWSMJLSHW-UHFFFAOYSA-N 2 1 359.420 3.071 20 0 FGADMP CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583029437 506550230 /nfs/dbraw/zinc/55/02/30/506550230.db2.gz PUKIANWSMJLSHW-UHFFFAOYSA-N 2 1 359.420 3.071 20 0 FGADMP Cc1ccsc1C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000583029676 506550795 /nfs/dbraw/zinc/55/07/95/506550795.db2.gz AIBLGRDSKAHHAB-IRXDYDNUSA-N 2 1 352.544 3.147 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000608635037 506641660 /nfs/dbraw/zinc/64/16/60/506641660.db2.gz ZZYCTQXTQLFNIV-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000608635037 506641665 /nfs/dbraw/zinc/64/16/65/506641665.db2.gz ZZYCTQXTQLFNIV-SVFBPWRDSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000583235594 506664442 /nfs/dbraw/zinc/66/44/42/506664442.db2.gz FLLWQHBPFCDEJE-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000583235594 506664447 /nfs/dbraw/zinc/66/44/47/506664447.db2.gz FLLWQHBPFCDEJE-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000583235594 506664451 /nfs/dbraw/zinc/66/44/51/506664451.db2.gz FLLWQHBPFCDEJE-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282328 506694495 /nfs/dbraw/zinc/69/44/95/506694495.db2.gz WRYMIYYUQYOJRH-MISYRCLQSA-N 2 1 368.500 3.442 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282328 506694500 /nfs/dbraw/zinc/69/45/00/506694500.db2.gz WRYMIYYUQYOJRH-MISYRCLQSA-N 2 1 368.500 3.442 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179909 506739621 /nfs/dbraw/zinc/73/96/21/506739621.db2.gz WNRQPIUSSRDSGZ-CTNGQTDRSA-N 2 1 372.557 3.245 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600014392 506746533 /nfs/dbraw/zinc/74/65/33/506746533.db2.gz UDWAXSXZZMXSTE-STZQEDGTSA-N 2 1 369.553 3.073 20 0 FGADMP COC[C@@H]1CCCC[NH+]1Cc1cncc(C[N@@H+]2CCCC[C@H]2COC)c1 ZINC000583422670 506770382 /nfs/dbraw/zinc/77/03/82/506770382.db2.gz WWZOYJWRDPVTPP-SFTDATJTSA-N 2 1 361.530 3.083 20 0 FGADMP CCC1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC[NH+](Cc2ccccc2)CC1 ZINC000583449712 506784638 /nfs/dbraw/zinc/78/46/38/506784638.db2.gz UBPQREYUPCTGRH-GOSISDBHSA-N 2 1 368.525 3.397 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2)CC1 ZINC000590786499 506955768 /nfs/dbraw/zinc/95/57/68/506955768.db2.gz CNIRQQURZQGCMG-SFHVURJKSA-N 2 1 354.922 3.132 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(ccc(C)c2C)[nH]1 ZINC000604863986 506967653 /nfs/dbraw/zinc/96/76/53/506967653.db2.gz RBXKLRHVNJVNTJ-GOSISDBHSA-N 2 1 370.541 3.273 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cc1 ZINC000583921542 507052840 /nfs/dbraw/zinc/05/28/40/507052840.db2.gz JGXHGTDWHFBBKQ-UWJYYQICSA-N 2 1 372.557 3.326 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127516 507125871 /nfs/dbraw/zinc/12/58/71/507125871.db2.gz BVFCBLIDWNRAST-VQIMIIECSA-N 2 1 363.571 3.121 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127516 507125873 /nfs/dbraw/zinc/12/58/73/507125873.db2.gz BVFCBLIDWNRAST-VQIMIIECSA-N 2 1 363.571 3.121 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584053916 507127122 /nfs/dbraw/zinc/12/71/22/507127122.db2.gz PQQOGRYUAVQRJT-IZBNFRDHSA-N 2 1 356.297 3.380 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584053916 507127128 /nfs/dbraw/zinc/12/71/28/507127128.db2.gz PQQOGRYUAVQRJT-IZBNFRDHSA-N 2 1 356.297 3.380 20 0 FGADMP C[C@@H](CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000600843736 507145244 /nfs/dbraw/zinc/14/52/44/507145244.db2.gz CANOKINFZPXUER-SLFFLAALSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000600843736 507145253 /nfs/dbraw/zinc/14/52/53/507145253.db2.gz CANOKINFZPXUER-SLFFLAALSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1CCCC[C@@H]1C ZINC000600843736 507145259 /nfs/dbraw/zinc/14/52/59/507145259.db2.gz CANOKINFZPXUER-SLFFLAALSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+]1CCCC[C@@H]1C ZINC000600843736 507145263 /nfs/dbraw/zinc/14/52/63/507145263.db2.gz CANOKINFZPXUER-SLFFLAALSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000605506655 507222962 /nfs/dbraw/zinc/22/29/62/507222962.db2.gz YTNNNTGICKSAJZ-UWJYYQICSA-N 2 1 357.542 3.060 20 0 FGADMP C[C@@H](C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000605506655 507222969 /nfs/dbraw/zinc/22/29/69/507222969.db2.gz YTNNNTGICKSAJZ-UWJYYQICSA-N 2 1 357.542 3.060 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584289826 507261938 /nfs/dbraw/zinc/26/19/38/507261938.db2.gz LEJIORBAZAJTQC-IEBWSBKVSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CC2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000584289826 507261947 /nfs/dbraw/zinc/26/19/47/507261947.db2.gz LEJIORBAZAJTQC-IEBWSBKVSA-N 2 1 367.896 3.120 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559095 507291744 /nfs/dbraw/zinc/29/17/44/507291744.db2.gz GZAULUWIKRKENY-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559095 507291753 /nfs/dbraw/zinc/29/17/53/507291753.db2.gz GZAULUWIKRKENY-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559095 507291761 /nfs/dbraw/zinc/29/17/61/507291761.db2.gz GZAULUWIKRKENY-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000601215447 507298250 /nfs/dbraw/zinc/29/82/50/507298250.db2.gz DRRAQDJVAOJGTC-YJBOKZPZSA-N 2 1 366.937 3.115 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595025364 507358831 /nfs/dbraw/zinc/35/88/31/507358831.db2.gz GUYRBDWKLCDNQU-INIZCTEOSA-N 2 1 368.262 3.130 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666934 507475430 /nfs/dbraw/zinc/47/54/30/507475430.db2.gz VQAQAPOTVQKYSS-FPOVZHCZSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000606666934 507475431 /nfs/dbraw/zinc/47/54/31/507475431.db2.gz VQAQAPOTVQKYSS-FPOVZHCZSA-N 2 1 374.573 3.411 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598671328 507544304 /nfs/dbraw/zinc/54/43/04/507544304.db2.gz AOYBIGVKBUVBJO-UHFFFAOYSA-N 2 1 372.513 3.282 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OC)c2n1CCCC2 ZINC000598671328 507544314 /nfs/dbraw/zinc/54/43/14/507544314.db2.gz AOYBIGVKBUVBJO-UHFFFAOYSA-N 2 1 372.513 3.282 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865919 507548266 /nfs/dbraw/zinc/54/82/66/507548266.db2.gz LJAHUADIJKPDSH-FQEVSTJZSA-N 2 1 373.520 3.064 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000592479227 507672993 /nfs/dbraw/zinc/67/29/93/507672993.db2.gz QTLFMDYJNJIPCH-HXUWFJFHSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481406 507674427 /nfs/dbraw/zinc/67/44/27/507674427.db2.gz IOTUJZQKMSCGJM-QUCCMNQESA-N 2 1 364.578 3.203 20 0 FGADMP CCOC(=O)C1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000611429033 507679918 /nfs/dbraw/zinc/67/99/18/507679918.db2.gz HNGUUFYTLDWEGZ-UHFFFAOYSA-N 2 1 358.526 3.405 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000607384385 507715229 /nfs/dbraw/zinc/71/52/29/507715229.db2.gz CVIURDQDFLAEPA-UTKZUKDTSA-N 2 1 351.494 3.314 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1CN1CCOCC1 ZINC000643251548 568333992 /nfs/dbraw/zinc/33/39/92/568333992.db2.gz OTVHXLJPXZPNIU-FCHUYYIVSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251548 568333993 /nfs/dbraw/zinc/33/39/93/568333993.db2.gz OTVHXLJPXZPNIU-FCHUYYIVSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251548 568333994 /nfs/dbraw/zinc/33/39/94/568333994.db2.gz OTVHXLJPXZPNIU-FCHUYYIVSA-N 2 1 358.526 3.157 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870890 568396181 /nfs/dbraw/zinc/39/61/81/568396181.db2.gz OUGSNHQYRHYREB-KAOXLYBCSA-N 2 1 371.569 3.178 20 0 FGADMP c1ccc(CN2CCCO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000390870890 568396182 /nfs/dbraw/zinc/39/61/82/568396182.db2.gz OUGSNHQYRHYREB-KAOXLYBCSA-N 2 1 371.569 3.178 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000820703720 606914901 /nfs/dbraw/zinc/91/49/01/606914901.db2.gz JVGGTDUXCFDJEU-QGZVFWFLSA-N 2 1 368.529 3.343 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530626 609350218 /nfs/dbraw/zinc/35/02/18/609350218.db2.gz MINBKFWLNUCBDE-RLFYNMQTSA-N 2 1 354.502 3.170 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000092740568 700440917 /nfs/dbraw/zinc/44/09/17/700440917.db2.gz DHGIPRBVLBDAPT-GOSISDBHSA-N 2 1 367.331 3.263 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000190204156 712808507 /nfs/dbraw/zinc/80/85/07/712808507.db2.gz HWLNBFJVUSEXLH-HXUWFJFHSA-N 2 1 350.547 3.364 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000190204134 712808537 /nfs/dbraw/zinc/80/85/37/712808537.db2.gz HWLNBFJVUSEXLH-FQEVSTJZSA-N 2 1 350.547 3.364 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000195201380 713549205 /nfs/dbraw/zinc/54/92/05/713549205.db2.gz MFQBKHOAIGVYSE-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000195551787 713559136 /nfs/dbraw/zinc/55/91/36/713559136.db2.gz NUNZELMINCQXLH-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581537 713626718 /nfs/dbraw/zinc/62/67/18/713626718.db2.gz GDNCVJNNMOXSEQ-RHSMWYFYSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581537 713626719 /nfs/dbraw/zinc/62/67/19/713626719.db2.gz GDNCVJNNMOXSEQ-RHSMWYFYSA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581537 713626720 /nfs/dbraw/zinc/62/67/20/713626720.db2.gz GDNCVJNNMOXSEQ-RHSMWYFYSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581537 713626721 /nfs/dbraw/zinc/62/67/21/713626721.db2.gz GDNCVJNNMOXSEQ-RHSMWYFYSA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581537 713626722 /nfs/dbraw/zinc/62/67/22/713626722.db2.gz GDNCVJNNMOXSEQ-RHSMWYFYSA-N 2 1 355.320 3.289 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000249527222 713667611 /nfs/dbraw/zinc/66/76/11/713667611.db2.gz ZAJWCSDVEQJGPI-UWVAXJGDSA-N 2 1 351.535 3.192 20 0 FGADMP C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322908283 713813981 /nfs/dbraw/zinc/81/39/81/713813981.db2.gz IUNCTQRURVMFTJ-XWDNEUNKSA-N 2 1 351.535 3.379 20 0 FGADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1Cl ZINC000641804288 717930961 /nfs/dbraw/zinc/93/09/61/717930961.db2.gz HJSPNSKCMWJODT-MNOVXSKESA-N 2 1 350.677 3.301 20 0 FGADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000641804292 717931052 /nfs/dbraw/zinc/93/10/52/717931052.db2.gz HJSPNSKCMWJODT-WDEREUQCSA-N 2 1 350.677 3.301 20 0 FGADMP Cc1nnc(N2CCC([NH2+]CCCC[N@@H+]3CCCC[C@@H]3C)CC2)s1 ZINC000374720725 713940924 /nfs/dbraw/zinc/94/09/24/713940924.db2.gz XGYAFNOABJSYHE-HNNXBMFYSA-N 2 1 351.564 3.060 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000621701144 715019444 /nfs/dbraw/zinc/01/94/44/715019444.db2.gz FYWMUYHWAPGPBC-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000623377010 715320947 /nfs/dbraw/zinc/32/09/47/715320947.db2.gz KWSNLOYXJJOXKX-GFCCVEGCSA-N 2 1 355.276 3.140 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1(C)C ZINC000623377010 715320954 /nfs/dbraw/zinc/32/09/54/715320954.db2.gz KWSNLOYXJJOXKX-GFCCVEGCSA-N 2 1 355.276 3.140 20 0 FGADMP C[N@H+]1CC[C@H](N[C@H](CCO)c2ccccc2Br)CC1(C)C ZINC000623488156 715346043 /nfs/dbraw/zinc/34/60/43/715346043.db2.gz JVGHGRZQOZDABX-XJKSGUPXSA-N 2 1 355.320 3.335 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)CC1(C)C ZINC000623507284 715350613 /nfs/dbraw/zinc/35/06/13/715350613.db2.gz BNUBXQRXOWCFTP-ZBFHGGJFSA-N 2 1 369.347 3.063 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ncc1Br ZINC000623575334 715364906 /nfs/dbraw/zinc/36/49/06/715364906.db2.gz VWDVUYJYXBNXGS-OAHLLOKOSA-N 2 1 352.320 3.364 20 0 FGADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ncc1Br ZINC000623575334 715364911 /nfs/dbraw/zinc/36/49/11/715364911.db2.gz VWDVUYJYXBNXGS-OAHLLOKOSA-N 2 1 352.320 3.364 20 0 FGADMP Cc1csc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000623861468 715417705 /nfs/dbraw/zinc/41/77/05/715417705.db2.gz YYEVPUSFKJSPSK-IEBWSBKVSA-N 2 1 358.555 3.481 20 0 FGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc(C)sc1C ZINC000623888669 715424677 /nfs/dbraw/zinc/42/46/77/715424677.db2.gz PKPATUGQOJOHCK-AEFFLSMTSA-N 2 1 351.560 3.383 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574705 715753933 /nfs/dbraw/zinc/75/39/33/715753933.db2.gz WINIRLPHQZUQDU-HNAYVOBHSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000625574705 715753935 /nfs/dbraw/zinc/75/39/35/715753935.db2.gz WINIRLPHQZUQDU-HNAYVOBHSA-N 2 1 363.933 3.151 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@H+](C)CC2(C)COC2)c1)CC1(C)COC1 ZINC000625793614 715792290 /nfs/dbraw/zinc/79/22/90/715792290.db2.gz YXAMFPRPHJDHLI-UHFFFAOYSA-N 2 1 366.933 3.277 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@]3(C)CCCS3)CC2)CC1 ZINC000628186431 716122401 /nfs/dbraw/zinc/12/24/01/716122401.db2.gz KKTDHABGOXKNRF-HXUWFJFHSA-N 2 1 353.620 3.400 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@]1(C)CCCS1 ZINC000628186431 716122404 /nfs/dbraw/zinc/12/24/04/716122404.db2.gz KKTDHABGOXKNRF-HXUWFJFHSA-N 3 1 353.620 3.400 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@]1(C)CCCS1 ZINC000628186431 716122407 /nfs/dbraw/zinc/12/24/07/716122407.db2.gz KKTDHABGOXKNRF-HXUWFJFHSA-N 3 1 353.620 3.400 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514349 716301585 /nfs/dbraw/zinc/30/15/85/716301585.db2.gz RIZAVXDTVNYEQF-GDBMZVCRSA-N 2 1 368.319 3.008 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514349 716301589 /nfs/dbraw/zinc/30/15/89/716301589.db2.gz RIZAVXDTVNYEQF-GDBMZVCRSA-N 2 1 368.319 3.008 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562840 716308654 /nfs/dbraw/zinc/30/86/54/716308654.db2.gz CQSHFHPLAMTGHQ-RHSMWYFYSA-N 2 1 360.420 3.313 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629562840 716308659 /nfs/dbraw/zinc/30/86/59/716308659.db2.gz CQSHFHPLAMTGHQ-RHSMWYFYSA-N 2 1 360.420 3.313 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1C(F)(F)F ZINC000629566744 716309860 /nfs/dbraw/zinc/30/98/60/716309860.db2.gz NVWLRMJWMNZYKA-NWDGAFQWSA-N 2 1 374.432 3.190 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1C(F)(F)F ZINC000629566744 716309862 /nfs/dbraw/zinc/30/98/62/716309862.db2.gz NVWLRMJWMNZYKA-NWDGAFQWSA-N 2 1 374.432 3.190 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631041437 716552798 /nfs/dbraw/zinc/55/27/98/716552798.db2.gz JQOGATWRZWWITF-UHFFFAOYSA-N 2 1 357.464 3.299 20 0 FGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000631110110 716567074 /nfs/dbraw/zinc/56/70/74/716567074.db2.gz VPEKLMMDGQCUJH-WMZOPIPTSA-N 2 1 359.539 3.332 20 0 FGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631110110 716567079 /nfs/dbraw/zinc/56/70/79/716567079.db2.gz VPEKLMMDGQCUJH-WMZOPIPTSA-N 2 1 359.539 3.332 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631194706 716583044 /nfs/dbraw/zinc/58/30/44/716583044.db2.gz ONBZEACSZWLPOY-FUHWJXTLSA-N 2 1 359.539 3.190 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631194706 716583050 /nfs/dbraw/zinc/58/30/50/716583050.db2.gz ONBZEACSZWLPOY-FUHWJXTLSA-N 2 1 359.539 3.190 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631194709 716583180 /nfs/dbraw/zinc/58/31/80/716583180.db2.gz ONBZEACSZWLPOY-WMZOPIPTSA-N 2 1 359.539 3.190 20 0 FGADMP COCCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)s1 ZINC000631194709 716583182 /nfs/dbraw/zinc/58/31/82/716583182.db2.gz ONBZEACSZWLPOY-WMZOPIPTSA-N 2 1 359.539 3.190 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000769386182 723683786 /nfs/dbraw/zinc/68/37/86/723683786.db2.gz YJYPYJWHOPDQKQ-FGTMMUONSA-N 2 1 353.551 3.344 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)[C@@H](C)C1 ZINC000631732080 716669636 /nfs/dbraw/zinc/66/96/36/716669636.db2.gz VNABYXDPGZFTEE-SLFFLAALSA-N 2 1 352.563 3.452 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178077 717416782 /nfs/dbraw/zinc/41/67/82/717416782.db2.gz FAKHYBNLVXRJKH-KZNAEPCWSA-N 2 1 356.432 3.475 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638293864 717431083 /nfs/dbraw/zinc/43/10/83/717431083.db2.gz MDQIYJAEPAJRML-JCGIZDLHSA-N 2 1 365.880 3.167 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000638293864 717431087 /nfs/dbraw/zinc/43/10/87/717431087.db2.gz MDQIYJAEPAJRML-JCGIZDLHSA-N 2 1 365.880 3.167 20 0 FGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000638672477 717475180 /nfs/dbraw/zinc/47/51/80/717475180.db2.gz ZDZCTBFKDFHIPR-ZHALLVOQSA-N 2 1 352.544 3.162 20 0 FGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C1CCOCC1 ZINC000638672477 717475183 /nfs/dbraw/zinc/47/51/83/717475183.db2.gz ZDZCTBFKDFHIPR-ZHALLVOQSA-N 2 1 352.544 3.162 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000640533143 717761009 /nfs/dbraw/zinc/76/10/09/717761009.db2.gz NIXKQDZTDZZICE-UHFFFAOYSA-N 2 1 362.905 3.046 20 0 FGADMP CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000644770919 718152534 /nfs/dbraw/zinc/15/25/34/718152534.db2.gz ZQKYSEOYWSQQEY-CXAGYDPISA-N 2 1 367.331 3.119 20 0 FGADMP Clc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543631 718366654 /nfs/dbraw/zinc/36/66/54/718366654.db2.gz QMVCOPMOEIDWRD-HZPDHXFCSA-N 2 1 359.905 3.132 20 0 FGADMP Oc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1Br ZINC000647544568 718366778 /nfs/dbraw/zinc/36/67/78/718366778.db2.gz YCILSTTUMYXVGT-ZIAGYGMSSA-N 2 1 353.304 3.366 20 0 FGADMP Clc1ccccc1Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000647546149 718366949 /nfs/dbraw/zinc/36/69/49/718366949.db2.gz BDNIGOVAVBWWCL-QZTJIDSGSA-N 2 1 358.917 3.406 20 0 FGADMP Clc1ccc(-c2noc(CC[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647904233 718385509 /nfs/dbraw/zinc/38/55/09/718385509.db2.gz ZNLCQCCFVNAKDZ-NVXWUHKLSA-N 2 1 360.889 3.397 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975617 718391128 /nfs/dbraw/zinc/39/11/28/718391128.db2.gz CRDKZPAQGMDIOB-FUHWJXTLSA-N 2 1 363.933 3.058 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976290 718391307 /nfs/dbraw/zinc/39/13/07/718391307.db2.gz MOTVEDLHFCAIAU-CABCVRRESA-N 2 1 369.962 3.072 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CCO2 ZINC000648071871 718397872 /nfs/dbraw/zinc/39/78/72/718397872.db2.gz YQXGYMCFTQPJGD-UHFFFAOYSA-N 2 1 360.889 3.027 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)CCO2 ZINC000648071871 718397874 /nfs/dbraw/zinc/39/78/74/718397874.db2.gz YQXGYMCFTQPJGD-UHFFFAOYSA-N 2 1 360.889 3.027 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3Br)C2)C1 ZINC000650707862 718717440 /nfs/dbraw/zinc/71/74/40/718717440.db2.gz OKPQTFAZLZKNJV-YSVLISHTSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721928 718719914 /nfs/dbraw/zinc/71/99/14/718719914.db2.gz GDMBVROQELFYLC-JLSDUUJJSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721928 718719921 /nfs/dbraw/zinc/71/99/21/718719921.db2.gz GDMBVROQELFYLC-JLSDUUJJSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721810 718720018 /nfs/dbraw/zinc/72/00/18/718720018.db2.gz CCFOERJEJSPDMO-HYVNUMGLSA-N 2 1 358.404 3.446 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722815 718720439 /nfs/dbraw/zinc/72/04/39/718720439.db2.gz BTPRSTYSBYDQJM-UKPHBRMFSA-N 2 1 358.404 3.288 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)sc2c1 ZINC000650724012 718721205 /nfs/dbraw/zinc/72/12/05/718721205.db2.gz WUURVTBGCRRYCH-XYPHTWIQSA-N 2 1 361.511 3.166 20 0 FGADMP CC[N@@H+](CCCNC(=O)N1CCC([NH2+]C(C)C)CC1)C1CCCCC1 ZINC000651220386 718784161 /nfs/dbraw/zinc/78/41/61/718784161.db2.gz DOCADIOLLLDSIS-UHFFFAOYSA-N 2 1 352.567 3.203 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4[NH2+]CC[C@@H]43)c2c1C ZINC001164410769 718876205 /nfs/dbraw/zinc/87/62/05/718876205.db2.gz GWDVYOKTTQUQCQ-CVEARBPZSA-N 2 1 371.554 3.235 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361799 718936801 /nfs/dbraw/zinc/93/68/01/718936801.db2.gz PMFPAYFZVDJQEY-NXHRZFHOSA-N 2 1 365.905 3.029 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652363416 718936899 /nfs/dbraw/zinc/93/68/99/718936899.db2.gz DIAQDZWKWCVLDL-XQQFMLRXSA-N 2 1 363.449 3.331 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000652363416 718936900 /nfs/dbraw/zinc/93/69/00/718936900.db2.gz DIAQDZWKWCVLDL-XQQFMLRXSA-N 2 1 363.449 3.331 20 0 FGADMP C[N@@H+](Cc1ccc(N2CC[C@@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619202 719048383 /nfs/dbraw/zinc/04/83/83/719048383.db2.gz BZSKMEWJJNDLGQ-JTHBVZDNSA-N 2 1 362.521 3.259 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3scnc3C3CC3)CC2)CC1 ZINC000654971755 719251701 /nfs/dbraw/zinc/25/17/01/719251701.db2.gz PIWAOOADHHVFMY-UHFFFAOYSA-N 2 1 362.543 3.155 20 0 FGADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000655723795 719329658 /nfs/dbraw/zinc/32/96/58/719329658.db2.gz PNRXFIHJOXYMBR-UHFFFAOYSA-N 2 1 374.286 3.238 20 0 FGADMP Brc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655722332 719329700 /nfs/dbraw/zinc/32/97/00/719329700.db2.gz CJRANJZLSKIXKW-GOSISDBHSA-N 2 1 367.331 3.225 20 0 FGADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000655721871 719329854 /nfs/dbraw/zinc/32/98/54/719329854.db2.gz SHGDFGNVQPZBDB-CYBMUJFWSA-N 2 1 365.319 3.373 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697543 719444226 /nfs/dbraw/zinc/44/42/26/719444226.db2.gz JJSDQEHMXQKTFB-DLBZAZTESA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697543 719444232 /nfs/dbraw/zinc/44/42/32/719444232.db2.gz JJSDQEHMXQKTFB-DLBZAZTESA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697543 719444234 /nfs/dbraw/zinc/44/42/34/719444234.db2.gz JJSDQEHMXQKTFB-DLBZAZTESA-N 2 1 354.922 3.132 20 0 FGADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](COc2ccccc2Cl)C1 ZINC000656697543 719444240 /nfs/dbraw/zinc/44/42/40/719444240.db2.gz JJSDQEHMXQKTFB-DLBZAZTESA-N 2 1 354.922 3.132 20 0 FGADMP CSc1ccnc(Cl)c1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681095 719629391 /nfs/dbraw/zinc/62/93/91/719629391.db2.gz AGMKJJBOZUPZSW-UHFFFAOYSA-N 2 1 365.934 3.129 20 0 FGADMP CSc1ccnc(Cl)c1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681095 719629398 /nfs/dbraw/zinc/62/93/98/719629398.db2.gz AGMKJJBOZUPZSW-UHFFFAOYSA-N 2 1 365.934 3.129 20 0 FGADMP Cc1c(Br)cncc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000657368064 719634721 /nfs/dbraw/zinc/63/47/21/719634721.db2.gz UDZMLPCRLHZLFQ-OKILXGFUSA-N 2 1 370.335 3.132 20 0 FGADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657452568 719652967 /nfs/dbraw/zinc/65/29/67/719652967.db2.gz HQLWVLDUJSQRMK-OAHLLOKOSA-N 2 1 352.404 3.051 20 0 FGADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452568 719652970 /nfs/dbraw/zinc/65/29/70/719652970.db2.gz HQLWVLDUJSQRMK-OAHLLOKOSA-N 2 1 352.404 3.051 20 0 FGADMP O=C1Nc2ccccc2S[C@@H]1CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000659957590 719963349 /nfs/dbraw/zinc/96/33/49/719963349.db2.gz VGQYTZABHOHIPU-QFBILLFUSA-N 2 1 359.539 3.297 20 0 FGADMP FC1(F)C[C@H]1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978941 719967340 /nfs/dbraw/zinc/96/73/40/719967340.db2.gz IIOFKPKCVOELOP-RTBURBONSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@H]1OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659978941 719967343 /nfs/dbraw/zinc/96/73/43/719967343.db2.gz IIOFKPKCVOELOP-RTBURBONSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@H]1OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659978941 719967346 /nfs/dbraw/zinc/96/73/46/719967346.db2.gz IIOFKPKCVOELOP-RTBURBONSA-N 2 1 350.453 3.399 20 0 FGADMP FC1(F)C[C@H]1OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659978941 719967348 /nfs/dbraw/zinc/96/73/48/719967348.db2.gz IIOFKPKCVOELOP-RTBURBONSA-N 2 1 350.453 3.399 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc(Br)c1)C2 ZINC000660656178 720092770 /nfs/dbraw/zinc/09/27/70/720092770.db2.gz QMBJYKWEELTNRQ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc(Br)c1)C2 ZINC000660656178 720092777 /nfs/dbraw/zinc/09/27/77/720092777.db2.gz QMBJYKWEELTNRQ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1cccc(Br)c1)C2 ZINC000660656178 720092782 /nfs/dbraw/zinc/09/27/82/720092782.db2.gz QMBJYKWEELTNRQ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1cccc(Br)c1)C2 ZINC000660656178 720092787 /nfs/dbraw/zinc/09/27/87/720092787.db2.gz QMBJYKWEELTNRQ-KRWDZBQOSA-N 2 1 353.304 3.246 20 0 FGADMP Fc1ccc(Br)cc1C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250725 720405250 /nfs/dbraw/zinc/40/52/50/720405250.db2.gz MTGIAYADTUZLIM-HNNXBMFYSA-N 2 1 369.278 3.074 20 0 FGADMP Fc1ccc(Br)cc1C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250725 720405253 /nfs/dbraw/zinc/40/52/53/720405253.db2.gz MTGIAYADTUZLIM-HNNXBMFYSA-N 2 1 369.278 3.074 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662283222 720409981 /nfs/dbraw/zinc/40/99/81/720409981.db2.gz SIPNNQBIFGVQFP-RDJZCZTQSA-N 2 1 358.404 3.145 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291238 720410662 /nfs/dbraw/zinc/41/06/62/720410662.db2.gz QCIXCNLLTPRYDS-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294649 720411039 /nfs/dbraw/zinc/41/10/39/720411039.db2.gz DHUJXWVPRXYDLL-QGZVFWFLSA-N 2 1 361.555 3.449 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000662323866 720415439 /nfs/dbraw/zinc/41/54/39/720415439.db2.gz SLQNEXYPEWRDEF-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000662323866 720415442 /nfs/dbraw/zinc/41/54/42/720415442.db2.gz SLQNEXYPEWRDEF-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1Cl ZINC000662343463 720417148 /nfs/dbraw/zinc/41/71/48/720417148.db2.gz RKMPMZFLXRMYQB-RTBURBONSA-N 2 1 357.885 3.294 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1cccs1 ZINC000662474068 720432114 /nfs/dbraw/zinc/43/21/14/720432114.db2.gz RYWNGVVWLARIPY-BEFAXECRSA-N 2 1 355.507 3.164 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662486960 720433959 /nfs/dbraw/zinc/43/39/59/720433959.db2.gz ZMXNUTAVKJNTST-BLLLJJGKSA-N 2 1 358.313 3.197 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc(Cl)c1Cl ZINC000662516427 720437704 /nfs/dbraw/zinc/43/77/04/720437704.db2.gz BJNQUQWBSIWPMS-SUMWQHHRSA-N 2 1 370.324 3.102 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1 ZINC000662597772 720444851 /nfs/dbraw/zinc/44/48/51/720444851.db2.gz PCQPAGGMTWVIOP-MJGOQNOKSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1Br ZINC000662796636 720459042 /nfs/dbraw/zinc/45/90/42/720459042.db2.gz PBSDMRPDQVEKAK-UHFFFAOYSA-N 2 1 366.303 3.124 20 0 FGADMP CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000663451460 720516288 /nfs/dbraw/zinc/51/62/88/720516288.db2.gz ROINEKKUYBCIMN-SJORKVTESA-N 2 1 364.559 3.011 20 0 FGADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259563 720748102 /nfs/dbraw/zinc/74/81/02/720748102.db2.gz IXSDHZRRFBQLQL-RGIVZKHGSA-N 2 1 350.478 3.075 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000665291846 720751049 /nfs/dbraw/zinc/75/10/49/720751049.db2.gz MGYYFQKYTIEUEW-INIZCTEOSA-N 2 1 354.376 3.147 20 0 FGADMP [NH3+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c1 ZINC000667729456 721164929 /nfs/dbraw/zinc/16/49/29/721164929.db2.gz HSKHMZVAHHEMOP-INIZCTEOSA-N 2 1 358.511 3.241 20 0 FGADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@H+]3C2)c1 ZINC001164899045 721513715 /nfs/dbraw/zinc/51/37/15/721513715.db2.gz JSMWLMWNXJMAQT-NVXWUHKLSA-N 2 1 352.413 3.044 20 0 FGADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4[nH+]ccc5[nH]ccc54)CC[N@H+]3C2)c1 ZINC001164899046 721513827 /nfs/dbraw/zinc/51/38/27/721513827.db2.gz JSMWLMWNXJMAQT-RDJZCZTQSA-N 2 1 352.413 3.044 20 0 FGADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)nc1 ZINC001165041622 721924437 /nfs/dbraw/zinc/92/44/37/721924437.db2.gz AKTIASNUAHLVBE-LEWJYISDSA-N 2 1 372.557 3.320 20 0 FGADMP FC(F)O[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OC(F)F)C2)C1 ZINC000679680168 722040345 /nfs/dbraw/zinc/04/03/45/722040345.db2.gz XIRWAXYIEOAIAV-OKILXGFUSA-N 2 1 356.404 3.174 20 0 FGADMP FC(F)O[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](OC(F)F)C2)C1 ZINC000679680168 722040347 /nfs/dbraw/zinc/04/03/47/722040347.db2.gz XIRWAXYIEOAIAV-OKILXGFUSA-N 2 1 356.404 3.174 20 0 FGADMP FC(F)O[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](OC(F)F)C2)C1 ZINC000679680168 722040350 /nfs/dbraw/zinc/04/03/50/722040350.db2.gz XIRWAXYIEOAIAV-OKILXGFUSA-N 2 1 356.404 3.174 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458015 722385850 /nfs/dbraw/zinc/38/58/50/722385850.db2.gz XQMNLVWQFDYWJY-GOSISDBHSA-N 2 1 365.949 3.339 20 0 FGADMP CCOc1c(Cl)cccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685458015 722385851 /nfs/dbraw/zinc/38/58/51/722385851.db2.gz XQMNLVWQFDYWJY-GOSISDBHSA-N 2 1 365.949 3.339 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000720623447 722419430 /nfs/dbraw/zinc/41/94/30/722419430.db2.gz MBFLNOAIBGVGJB-RZBXZUARSA-N 2 1 351.535 3.237 20 0 FGADMP CCC[N@@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CCC)CC2)c(Cl)c1 ZINC000730280473 722466742 /nfs/dbraw/zinc/46/67/42/722466742.db2.gz SHBFTEOBIKMSAK-UHFFFAOYSA-N 2 1 366.937 3.152 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000741385405 722545295 /nfs/dbraw/zinc/54/52/95/722545295.db2.gz FTDWORQIJDDYIO-TXPKVOOTSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385405 722545296 /nfs/dbraw/zinc/54/52/96/722545296.db2.gz FTDWORQIJDDYIO-TXPKVOOTSA-N 2 1 354.922 3.052 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000741385405 722545297 /nfs/dbraw/zinc/54/52/97/722545297.db2.gz FTDWORQIJDDYIO-TXPKVOOTSA-N 2 1 354.922 3.052 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666943 722613243 /nfs/dbraw/zinc/61/32/43/722613243.db2.gz FGNVQCBXMAVMSF-QAPCUYQASA-N 2 1 356.432 3.403 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666943 722613244 /nfs/dbraw/zinc/61/32/44/722613244.db2.gz FGNVQCBXMAVMSF-QAPCUYQASA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666943 722613245 /nfs/dbraw/zinc/61/32/45/722613245.db2.gz FGNVQCBXMAVMSF-QAPCUYQASA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666943 722613246 /nfs/dbraw/zinc/61/32/46/722613246.db2.gz FGNVQCBXMAVMSF-QAPCUYQASA-N 2 1 356.432 3.403 20 0 FGADMP C[N@H+](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000760662231 723077200 /nfs/dbraw/zinc/07/72/00/723077200.db2.gz HRZQGOMWIXKVEW-UHFFFAOYSA-N 2 1 353.551 3.488 20 0 FGADMP C[N@@H+](CC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 ZINC000760662231 723077201 /nfs/dbraw/zinc/07/72/01/723077201.db2.gz HRZQGOMWIXKVEW-UHFFFAOYSA-N 2 1 353.551 3.488 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832271 723096401 /nfs/dbraw/zinc/09/64/01/723096401.db2.gz WXLIGPPMHBPHRW-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832271 723096403 /nfs/dbraw/zinc/09/64/03/723096403.db2.gz WXLIGPPMHBPHRW-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832271 723096405 /nfs/dbraw/zinc/09/64/05/723096405.db2.gz WXLIGPPMHBPHRW-QZTJIDSGSA-N 2 1 353.551 3.440 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927008 723293019 /nfs/dbraw/zinc/29/30/19/723293019.db2.gz ZGYMVBPUGACQMY-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000762927008 723293021 /nfs/dbraw/zinc/29/30/21/723293021.db2.gz ZGYMVBPUGACQMY-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000764637170 723433339 /nfs/dbraw/zinc/43/33/39/723433339.db2.gz BIBLPOCDGQFEIN-ZDUSSCGKSA-N 2 1 360.470 3.208 20 0 FGADMP CCC[N@H+](CCn1cc[nH+]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766246889 723564624 /nfs/dbraw/zinc/56/46/24/723564624.db2.gz GLZRIJNUILOAEP-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[N@@H+](CCn1cc[nH+]c1C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000766246889 723564627 /nfs/dbraw/zinc/56/46/27/723564627.db2.gz GLZRIJNUILOAEP-UHFFFAOYSA-N 2 1 350.507 3.303 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000796702859 723651047 /nfs/dbraw/zinc/65/10/47/723651047.db2.gz DCUHIPNUTGFYHP-FGTMMUONSA-N 2 1 353.551 3.199 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000796702859 723651048 /nfs/dbraw/zinc/65/10/48/723651048.db2.gz DCUHIPNUTGFYHP-FGTMMUONSA-N 2 1 353.551 3.199 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000796707471 723651180 /nfs/dbraw/zinc/65/11/80/723651180.db2.gz OBEIZURVAFQGOC-XLAORIBOSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000796753247 723653489 /nfs/dbraw/zinc/65/34/89/723653489.db2.gz CZINIIOWZWITGU-VSZNYVQBSA-N 2 1 351.535 3.096 20 0 FGADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc(Cl)n1 ZINC000797601535 723840132 /nfs/dbraw/zinc/84/01/32/723840132.db2.gz VLLQWPZHIUEUFM-LJQANCHMSA-N 2 1 359.901 3.290 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864533 723936515 /nfs/dbraw/zinc/93/65/15/723936515.db2.gz QWNYKIHBPJKFPY-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864533 723936517 /nfs/dbraw/zinc/93/65/17/723936517.db2.gz QWNYKIHBPJKFPY-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864533 723936518 /nfs/dbraw/zinc/93/65/18/723936518.db2.gz QWNYKIHBPJKFPY-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864533 723936519 /nfs/dbraw/zinc/93/65/19/723936519.db2.gz QWNYKIHBPJKFPY-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)CC2)nc(C)[nH+]1 ZINC000775396018 723988026 /nfs/dbraw/zinc/98/80/26/723988026.db2.gz OTRALUDYNXPHCI-SOLBZPMBSA-N 2 1 364.584 3.031 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccccc1Cl ZINC000799178328 723995364 /nfs/dbraw/zinc/99/53/64/723995364.db2.gz MFMJTCGIDIHKMT-INIZCTEOSA-N 2 1 363.933 3.325 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COCc3ccccc3Cl)C2)CC1 ZINC000799178101 723995539 /nfs/dbraw/zinc/99/55/39/723995539.db2.gz KPVMDDIXJYNQMK-GOSISDBHSA-N 2 1 366.933 3.025 20 0 FGADMP CC(C)[C@H](C(=O)OC[C@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802146268 724361388 /nfs/dbraw/zinc/36/13/88/724361388.db2.gz RFBHMICCPDWMPI-POAQFYNOSA-N 2 1 350.478 3.291 20 0 FGADMP C[NH+]1CCC([NH2+][C@H](C[C@H]2CCCN2C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000788501614 725068267 /nfs/dbraw/zinc/06/82/67/725068267.db2.gz FWHZOMSWKXCOLO-QZTJIDSGSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@@H+]1CCC[C@H](C)C1 ZINC000788529299 725070820 /nfs/dbraw/zinc/07/08/20/725070820.db2.gz XODRIUORKQRNQZ-JKSUJKDBSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H](C[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2)[N@H+]1CCC[C@H](C)C1 ZINC000788529299 725070821 /nfs/dbraw/zinc/07/08/21/725070821.db2.gz XODRIUORKQRNQZ-JKSUJKDBSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000788593946 725074513 /nfs/dbraw/zinc/07/45/13/725074513.db2.gz JLCDPCATRJXIGZ-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000788593946 725074515 /nfs/dbraw/zinc/07/45/15/725074515.db2.gz JLCDPCATRJXIGZ-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cc4c(cc3Cl)OCCO4)C2)CC1 ZINC000808756486 725216238 /nfs/dbraw/zinc/21/62/38/725216238.db2.gz NOPPEFWTPLYCTF-UHFFFAOYSA-N 2 1 350.890 3.419 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115595 725289663 /nfs/dbraw/zinc/28/96/63/725289663.db2.gz LCANAGMLYKYQDB-QFBILLFUSA-N 2 1 369.550 3.460 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810165009 725294121 /nfs/dbraw/zinc/29/41/21/725294121.db2.gz JKVSFTYPRGUIND-CLWJZODNSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810165009 725294124 /nfs/dbraw/zinc/29/41/24/725294124.db2.gz JKVSFTYPRGUIND-CLWJZODNSA-N 2 1 353.526 3.063 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810165009 725294126 /nfs/dbraw/zinc/29/41/26/725294126.db2.gz JKVSFTYPRGUIND-CLWJZODNSA-N 2 1 353.526 3.063 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507343 725370671 /nfs/dbraw/zinc/37/06/71/725370671.db2.gz YXPLNYLXCQPSAX-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)C[C@H](C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21)NC(=O)OC(C)(C)C ZINC000811507343 725370673 /nfs/dbraw/zinc/37/06/73/725370673.db2.gz YXPLNYLXCQPSAX-KZNAEPCWSA-N 2 1 353.551 3.342 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC[C@@H]2C)C1 ZINC000812717853 726806101 /nfs/dbraw/zinc/80/61/01/726806101.db2.gz LVIPJMJRTLYSHG-KSZLIROESA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145068 727045111 /nfs/dbraw/zinc/04/51/11/727045111.db2.gz VFSNRRKNOMLHQO-ZWKOTPCHSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145068 727045112 /nfs/dbraw/zinc/04/51/12/727045112.db2.gz VFSNRRKNOMLHQO-ZWKOTPCHSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145068 727045113 /nfs/dbraw/zinc/04/51/13/727045113.db2.gz VFSNRRKNOMLHQO-ZWKOTPCHSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C2(Cc3cccc(F)c3)CCOCC2)s1 ZINC000815150212 727046333 /nfs/dbraw/zinc/04/63/33/727046333.db2.gz SZQKOBJNHTWMCH-UHFFFAOYSA-N 2 1 363.502 3.225 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CCN2C(=O)OC(C)(C)C)CC1 ZINC000817286855 727236231 /nfs/dbraw/zinc/23/62/31/727236231.db2.gz NFQUVPYNZYSQCY-QGZVFWFLSA-N 2 1 351.535 3.336 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819062291 727343307 /nfs/dbraw/zinc/34/33/07/727343307.db2.gz PGXCHAQIRFLENR-SFHVURJKSA-N 2 1 374.356 3.034 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1Cl ZINC000819062193 727343540 /nfs/dbraw/zinc/34/35/40/727343540.db2.gz OMJFKRLONQOTJH-MAUKXSAKSA-N 2 1 373.324 3.260 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000819101236 727347780 /nfs/dbraw/zinc/34/77/80/727347780.db2.gz PYOUIHQYSPBAQI-INIZCTEOSA-N 2 1 352.276 3.057 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000819151961 727352979 /nfs/dbraw/zinc/35/29/79/727352979.db2.gz IXFFHESQJFSWBZ-RHSMWYFYSA-N 2 1 355.320 3.050 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1Br ZINC000819355250 727370659 /nfs/dbraw/zinc/37/06/59/727370659.db2.gz PPXIIJXEOKNESI-QGZVFWFLSA-N 2 1 353.304 3.089 20 0 FGADMP C[NH+](C)CC1CC[NH+](c2ccc(NC[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000819443750 727375846 /nfs/dbraw/zinc/37/58/46/727375846.db2.gz BUMOPQDLWKEODP-KRWDZBQOSA-N 2 1 359.436 3.190 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650043 729295984 /nfs/dbraw/zinc/29/59/84/729295984.db2.gz ZUWDLWYWLVGIJQ-IKGGRYGDSA-N 2 1 351.535 3.096 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(F)ncc3F)CC2)cs1 ZINC000823876758 729311021 /nfs/dbraw/zinc/31/10/21/729311021.db2.gz RUWNPKLJPAJRRU-UHFFFAOYSA-N 2 1 366.481 3.381 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C[C@@]2(C)CC2(Cl)Cl)CC1)Cc1ccccc1 ZINC000827777890 729434688 /nfs/dbraw/zinc/43/46/88/729434688.db2.gz JURKOIUDSQSLEW-GOSISDBHSA-N 2 1 370.368 3.320 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000831480535 729645281 /nfs/dbraw/zinc/64/52/81/729645281.db2.gz DCMCVDVMIIPHLR-YZVOILCLSA-N 2 1 367.896 3.120 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566643 729815083 /nfs/dbraw/zinc/81/50/83/729815083.db2.gz PTLVZAFTUVTONT-SQNIBIBYSA-N 2 1 353.551 3.484 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000842668239 730527309 /nfs/dbraw/zinc/52/73/09/730527309.db2.gz LHGLRDBOUCVCST-VSZNYVQBSA-N 2 1 353.551 3.342 20 0 FGADMP C[N@@H+](Cc1cc(Br)c2c(c1)OCCCO2)C1CCC([NH3+])CC1 ZINC000843056073 730574614 /nfs/dbraw/zinc/57/46/14/730574614.db2.gz XILQXEJEZZHJKA-UHFFFAOYSA-N 2 1 369.303 3.312 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843400631 730615377 /nfs/dbraw/zinc/61/53/77/730615377.db2.gz VMDVBRKKYHWGBB-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000849092367 731228091 /nfs/dbraw/zinc/22/80/91/731228091.db2.gz ADGAWPGDUUVNJL-LJQANCHMSA-N 2 1 356.539 3.315 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000850379854 731350389 /nfs/dbraw/zinc/35/03/89/731350389.db2.gz HNEFQOAFDVEGFM-AITUJVMLSA-N 2 1 350.453 3.443 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@H+]1Cc1ccccc1 ZINC000850379854 731350390 /nfs/dbraw/zinc/35/03/90/731350390.db2.gz HNEFQOAFDVEGFM-AITUJVMLSA-N 2 1 350.453 3.443 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[S@](=O)CC(F)(F)F)cc1 ZINC000850492940 731363552 /nfs/dbraw/zinc/36/35/52/731363552.db2.gz UBZLHUJTKPFMAL-YYUOZPCZSA-N 2 1 359.417 3.142 20 0 FGADMP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)NC(=O)OC(C)(C)C ZINC000850566711 731374364 /nfs/dbraw/zinc/37/43/64/731374364.db2.gz QRFGFVQATXCHQE-TVFCKZIOSA-N 2 1 353.551 3.388 20 0 FGADMP C[NH2+][C@H](C(=O)NCc1ccc(CC[NH3+])cc1)c1cccc(Cl)c1Cl ZINC000851631699 731480338 /nfs/dbraw/zinc/48/03/38/731480338.db2.gz FRADHUPMPIZJCG-KRWDZBQOSA-N 2 1 366.292 3.072 20 0 FGADMP CC[C@@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000854147012 731798427 /nfs/dbraw/zinc/79/84/27/731798427.db2.gz PWJCRIHYXIJSBC-OAHLLOKOSA-N 2 1 363.893 3.202 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cncs3)C2)ccn1 ZINC000856607015 732040890 /nfs/dbraw/zinc/04/08/90/732040890.db2.gz SMUSVUKQWXCRTG-GOSISDBHSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CCc3cncs3)C2)ccn1 ZINC000856607015 732040897 /nfs/dbraw/zinc/04/08/97/732040897.db2.gz SMUSVUKQWXCRTG-GOSISDBHSA-N 2 1 360.527 3.074 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CCc3cncs3)C2)ccn1 ZINC000856607015 732040903 /nfs/dbraw/zinc/04/09/03/732040903.db2.gz SMUSVUKQWXCRTG-GOSISDBHSA-N 2 1 360.527 3.074 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(CNC(=O)OC(C)(C)C)CC2)C1 ZINC000858245275 732196358 /nfs/dbraw/zinc/19/63/58/732196358.db2.gz GANJOVQTHCVLPI-LXPRWKDFSA-N 2 1 353.551 3.391 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000859270446 732301424 /nfs/dbraw/zinc/30/14/24/732301424.db2.gz QSEOHZGTHLTSAE-UBBSCCEASA-N 2 1 370.654 3.165 20 0 FGADMP COc1ncc(Br)cc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000865407800 733193204 /nfs/dbraw/zinc/19/32/04/733193204.db2.gz JRILGIKWYKSRPW-UHFFFAOYSA-N 2 1 364.287 3.204 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000870911037 733901588 /nfs/dbraw/zinc/90/15/88/733901588.db2.gz PYUJYBWPUIILRG-SCFUHWHPSA-N 2 1 367.896 3.106 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCOC4(CCCC4)C3)CCCC2)CC1 ZINC000872033280 735579550 /nfs/dbraw/zinc/57/95/50/735579550.db2.gz AYTVDSNCMJUKEU-SFHVURJKSA-N 2 1 350.547 3.491 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2nc(Cl)ccc2s1 ZINC000877040265 736178727 /nfs/dbraw/zinc/17/87/27/736178727.db2.gz BPTNSLXKDBJCOF-CYBMUJFWSA-N 2 1 353.919 3.276 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546549 736682087 /nfs/dbraw/zinc/68/20/87/736682087.db2.gz UAURXIULXZZHDJ-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546549 736682088 /nfs/dbraw/zinc/68/20/88/736682088.db2.gz UAURXIULXZZHDJ-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546549 736682092 /nfs/dbraw/zinc/68/20/92/736682092.db2.gz UAURXIULXZZHDJ-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743204 736713054 /nfs/dbraw/zinc/71/30/54/736713054.db2.gz IWPOQPXFDVAGBL-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743204 736713056 /nfs/dbraw/zinc/71/30/56/736713056.db2.gz IWPOQPXFDVAGBL-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743204 736713057 /nfs/dbraw/zinc/71/30/57/736713057.db2.gz IWPOQPXFDVAGBL-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743204 736713059 /nfs/dbraw/zinc/71/30/59/736713059.db2.gz IWPOQPXFDVAGBL-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP Cn1nc2c(c1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1)CSCC2 ZINC000883092410 737521848 /nfs/dbraw/zinc/52/18/48/737521848.db2.gz OFXLAOFHIRNRMX-UHFFFAOYSA-N 2 1 350.576 3.344 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883359117 737557238 /nfs/dbraw/zinc/55/72/38/737557238.db2.gz YRELDYQEDKNAAS-YUELXQCFSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(F)(F)C(F)(F)F ZINC000883359117 737557240 /nfs/dbraw/zinc/55/72/40/737557240.db2.gz YRELDYQEDKNAAS-YUELXQCFSA-N 2 1 366.374 3.045 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000883361321 737558230 /nfs/dbraw/zinc/55/82/30/737558230.db2.gz ZQBXVYRYPBEVQE-CFVMTHIKSA-N 2 1 366.374 3.045 20 0 FGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000884226548 737645161 /nfs/dbraw/zinc/64/51/61/737645161.db2.gz WGHBRFDJRBJJMI-UAGQMJEPSA-N 2 1 351.560 3.257 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894535091 742296552 /nfs/dbraw/zinc/29/65/52/742296552.db2.gz ZSDMNWKQFWDJIC-XQLPTFJDSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894535091 742296553 /nfs/dbraw/zinc/29/65/53/742296553.db2.gz ZSDMNWKQFWDJIC-XQLPTFJDSA-N 2 1 352.441 3.215 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1OCC(F)F ZINC000894096843 742238841 /nfs/dbraw/zinc/23/88/41/742238841.db2.gz YMBYLGMQWGVBJT-RYRKJORJSA-N 2 1 354.441 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccccc1OCC(F)F ZINC000894096843 742238843 /nfs/dbraw/zinc/23/88/43/742238843.db2.gz YMBYLGMQWGVBJT-RYRKJORJSA-N 2 1 354.441 3.014 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900435709 743112076 /nfs/dbraw/zinc/11/20/76/743112076.db2.gz CTIGOYITTXOXNL-PKOBYXMFSA-N 2 1 359.539 3.191 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000900435709 743112081 /nfs/dbraw/zinc/11/20/81/743112081.db2.gz CTIGOYITTXOXNL-PKOBYXMFSA-N 2 1 359.539 3.191 20 0 FGADMP C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903718676 743879092 /nfs/dbraw/zinc/87/90/92/743879092.db2.gz QNYGESIMAYPOAQ-LBPRGKRZSA-N 2 1 359.333 3.101 20 0 FGADMP C[C@](O)(C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709352 744045739 /nfs/dbraw/zinc/04/57/39/744045739.db2.gz LNSVMNNEOVIHIJ-OWSLCNJRSA-N 2 1 356.432 3.190 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126712 757884013 /nfs/dbraw/zinc/88/40/13/757884013.db2.gz LLKHGRBEYYEXJH-IRXDYDNUSA-N 2 1 368.616 3.079 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@@H]1C(C)C ZINC000922395584 758913941 /nfs/dbraw/zinc/91/39/41/758913941.db2.gz UASPZCAGIAUSMY-VXNCWWDNSA-N 2 1 351.922 3.003 20 0 FGADMP C[C@H]1CC2(C[N@H+]1C[C@H](O)Cc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000923382564 759108845 /nfs/dbraw/zinc/10/88/45/759108845.db2.gz CXKLHDQCDRYLIX-GOEBONIOSA-N 2 1 356.432 3.073 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923489152 759130860 /nfs/dbraw/zinc/13/08/60/759130860.db2.gz CEXJQFOSJHDXQY-SUMWQHHRSA-N 2 1 370.324 3.328 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000925078383 759444100 /nfs/dbraw/zinc/44/41/00/759444100.db2.gz LNEMEGFKNNMYOV-FPOVZHCZSA-N 2 1 353.595 3.224 20 0 FGADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)Oc1ccccc1F ZINC000925217326 759463680 /nfs/dbraw/zinc/46/36/80/759463680.db2.gz XYQWNHXBDNITHW-FBVQUNGASA-N 2 1 350.478 3.215 20 0 FGADMP C[C@@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000925828233 759552969 /nfs/dbraw/zinc/55/29/69/759552969.db2.gz VNKPSRHGXZGVTN-BZZMCLGOSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000925828233 759552971 /nfs/dbraw/zinc/55/29/71/759552971.db2.gz VNKPSRHGXZGVTN-BZZMCLGOSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000925828233 759552973 /nfs/dbraw/zinc/55/29/73/759552973.db2.gz VNKPSRHGXZGVTN-BZZMCLGOSA-N 2 1 355.448 3.027 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000931172237 760794551 /nfs/dbraw/zinc/79/45/51/760794551.db2.gz IUSRAFZOUSMTKQ-IBGZPJMESA-N 2 1 361.555 3.355 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715097 761462693 /nfs/dbraw/zinc/46/26/93/761462693.db2.gz YNCXKTIUTYVKEX-AWEZNQCLSA-N 2 1 353.392 3.270 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000933715097 761462701 /nfs/dbraw/zinc/46/27/01/761462701.db2.gz YNCXKTIUTYVKEX-AWEZNQCLSA-N 2 1 353.392 3.270 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccccc2Cl)CC[N@@H+]1C ZINC000960639388 762735862 /nfs/dbraw/zinc/73/58/62/762735862.db2.gz AZBIEOXZEXHNNM-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2ccccc2Cl)CC[N@H+]1C ZINC000960639388 762735869 /nfs/dbraw/zinc/73/58/69/762735869.db2.gz AZBIEOXZEXHNNM-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000960639388 762735870 /nfs/dbraw/zinc/73/58/70/762735870.db2.gz AZBIEOXZEXHNNM-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2ccccc2Cl)CC[NH+]1C ZINC000960639388 762735874 /nfs/dbraw/zinc/73/58/74/762735874.db2.gz AZBIEOXZEXHNNM-BPQIPLTHSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[NH+](C/C=C\Cl)C3)CC2)CC[N@H+]1C ZINC000961373272 762746961 /nfs/dbraw/zinc/74/69/61/762746961.db2.gz NMFNAEPXAOTCIG-WHBMQHHPSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[N@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC000961373272 762746964 /nfs/dbraw/zinc/74/69/64/762746964.db2.gz NMFNAEPXAOTCIG-WHBMQHHPSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@H]3CCC[N@@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC000961373272 762746968 /nfs/dbraw/zinc/74/69/68/762746968.db2.gz NMFNAEPXAOTCIG-WHBMQHHPSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC000971566224 762914191 /nfs/dbraw/zinc/91/41/91/762914191.db2.gz BXTAEDNSJOAOOU-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC000971566224 762914194 /nfs/dbraw/zinc/91/41/94/762914194.db2.gz BXTAEDNSJOAOOU-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC000971566224 762914197 /nfs/dbraw/zinc/91/41/97/762914197.db2.gz BXTAEDNSJOAOOU-VNQPRFMTSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000996601969 765019939 /nfs/dbraw/zinc/01/99/39/765019939.db2.gz CRVLKAVXVSMTGF-RBUKOAKNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001002859224 765349195 /nfs/dbraw/zinc/34/91/95/765349195.db2.gz LHYHJQKJCUBRHT-PKOBYXMFSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1F ZINC001020171353 765865968 /nfs/dbraw/zinc/86/59/68/765865968.db2.gz YNMGUDORHUDRDU-HCZIRCDUSA-N 2 1 367.896 3.117 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001023377298 766036493 /nfs/dbraw/zinc/03/64/93/766036493.db2.gz JIQVTAKPYOXCLW-SOLBZPMBSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001023377298 766036500 /nfs/dbraw/zinc/03/65/00/766036500.db2.gz JIQVTAKPYOXCLW-SOLBZPMBSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001023377298 766036508 /nfs/dbraw/zinc/03/65/08/766036508.db2.gz JIQVTAKPYOXCLW-SOLBZPMBSA-N 2 1 363.933 3.008 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001023994047 766047739 /nfs/dbraw/zinc/04/77/39/766047739.db2.gz XNDPNFNDYOVERZ-RBSFLKMASA-N 2 1 369.962 3.070 20 0 FGADMP Cc1cc(C[NH+]2CCCC[C@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001024446582 766053711 /nfs/dbraw/zinc/05/37/11/766053711.db2.gz GLCCXEBFFVBGSV-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC001024446582 766053719 /nfs/dbraw/zinc/05/37/19/766053719.db2.gz GLCCXEBFFVBGSV-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC001024446582 766053729 /nfs/dbraw/zinc/05/37/29/766053729.db2.gz GLCCXEBFFVBGSV-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001024967431 766064441 /nfs/dbraw/zinc/06/44/41/766064441.db2.gz OCTRFFYXHGAUJW-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3Cl)C2)CC[N@@H+]1C ZINC001031684333 766183883 /nfs/dbraw/zinc/18/38/83/766183883.db2.gz LDIIRCADEDDWHR-DKSSEZFCSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3Cl)C2)CC[N@H+]1C ZINC001031684333 766183888 /nfs/dbraw/zinc/18/38/88/766183888.db2.gz LDIIRCADEDDWHR-DKSSEZFCSA-N 2 1 363.933 3.179 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccc(Cl)s2)C1 ZINC001033833653 766223438 /nfs/dbraw/zinc/22/34/38/766223438.db2.gz JWFRKEYHWWBZHE-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccc(Cl)s2)C1 ZINC001033833653 766223441 /nfs/dbraw/zinc/22/34/41/766223441.db2.gz JWFRKEYHWWBZHE-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC001033833653 766223442 /nfs/dbraw/zinc/22/34/42/766223442.db2.gz JWFRKEYHWWBZHE-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccc(Cl)s2)C1 ZINC001033833653 766223447 /nfs/dbraw/zinc/22/34/47/766223447.db2.gz JWFRKEYHWWBZHE-IJEWVQPXSA-N 2 1 369.962 3.165 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021876 724381340 /nfs/dbraw/zinc/38/13/40/724381340.db2.gz ZKKXFNJUXXKEDG-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000048680601 257343993 /nfs/dbraw/zinc/34/39/93/257343993.db2.gz QHLPOMLZPKJQOU-UHFFFAOYSA-N 2 1 350.457 3.445 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1ccccc1 ZINC000376161034 257448804 /nfs/dbraw/zinc/44/88/04/257448804.db2.gz GDOONDMIUUDJIM-WMZOPIPTSA-N 2 1 355.448 3.296 20 0 FGADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000579559692 505575112 /nfs/dbraw/zinc/57/51/12/505575112.db2.gz NGZFWLOHBXGGPL-LJQANCHMSA-N 2 1 363.465 3.381 20 0 FGADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn2cc[nH+]c12 ZINC000579559692 505575115 /nfs/dbraw/zinc/57/51/15/505575115.db2.gz NGZFWLOHBXGGPL-LJQANCHMSA-N 2 1 363.465 3.381 20 0 FGADMP O=C1CCCN1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000579732985 505610583 /nfs/dbraw/zinc/61/05/83/505610583.db2.gz FZRKORZDMSPENP-VXKWHMMOSA-N 2 1 369.553 3.217 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1coc(-c2ccccc2)n1 ZINC000576865176 505612558 /nfs/dbraw/zinc/61/25/58/505612558.db2.gz ZTHVYZMESKQJDF-FQEVSTJZSA-N 2 1 356.514 3.190 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cnn(C2CCCC2)c1 ZINC000573879180 505642363 /nfs/dbraw/zinc/64/23/63/505642363.db2.gz SPADGFRGZSJFBH-INIZCTEOSA-N 2 1 357.502 3.184 20 0 FGADMP CC[C@H](Cc1ccccc1)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000571102278 505653707 /nfs/dbraw/zinc/65/37/07/505653707.db2.gz JTESURPBZQQQSK-OAQYLSRUSA-N 2 1 371.569 3.320 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000571101864 505653756 /nfs/dbraw/zinc/65/37/56/505653756.db2.gz OSPPOOLRUIZIAK-PXNSSMCTSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000571101864 505653760 /nfs/dbraw/zinc/65/37/60/505653760.db2.gz OSPPOOLRUIZIAK-PXNSSMCTSA-N 2 1 357.498 3.024 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000571101864 505653764 /nfs/dbraw/zinc/65/37/64/505653764.db2.gz OSPPOOLRUIZIAK-PXNSSMCTSA-N 2 1 357.498 3.024 20 0 FGADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]2Cn2c(C)nc3ccccc32)n1 ZINC000580034617 505665890 /nfs/dbraw/zinc/66/58/90/505665890.db2.gz ODTKALIAZUCSIG-QGZVFWFLSA-N 2 1 364.449 3.191 20 0 FGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145383 493831803 /nfs/dbraw/zinc/83/18/03/493831803.db2.gz QMOUDIKEJNMEDZ-APWZRJJASA-N 2 1 361.530 3.216 20 0 FGADMP CCc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2CC(=O)NC2CC[NH+](CC)CC2)o1 ZINC000076145383 493831807 /nfs/dbraw/zinc/83/18/07/493831807.db2.gz QMOUDIKEJNMEDZ-APWZRJJASA-N 2 1 361.530 3.216 20 0 FGADMP Ic1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000568395130 505684487 /nfs/dbraw/zinc/68/44/87/505684487.db2.gz STUTUPYQFOCGGY-CABCVRRESA-N 2 1 370.278 3.113 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C)cc1F ZINC000076331190 493866381 /nfs/dbraw/zinc/86/63/81/493866381.db2.gz IGRYYDOGJFVIII-INIZCTEOSA-N 2 1 350.482 3.014 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)cc1C ZINC000076332013 493866876 /nfs/dbraw/zinc/86/68/76/493866876.db2.gz QMIXJWDWEQQBAX-KRWDZBQOSA-N 2 1 350.482 3.014 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000076332347 493867486 /nfs/dbraw/zinc/86/74/86/493867486.db2.gz JRJZXLMJZSEFDG-HNNXBMFYSA-N 2 1 370.900 3.359 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccc(C[N@@H+](CC)C3CC3)cc2)C1 ZINC000081334323 493873768 /nfs/dbraw/zinc/87/37/68/493873768.db2.gz XAKCSERCLDAMSQ-IBGZPJMESA-N 2 1 357.542 3.475 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)CC1 ZINC000081422059 493890418 /nfs/dbraw/zinc/89/04/18/493890418.db2.gz PAOCMNNAZHVWLT-ROUUACIJSA-N 2 1 373.541 3.355 20 0 FGADMP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000061020907 493962510 /nfs/dbraw/zinc/96/25/10/493962510.db2.gz YDTZISVUIBBYDC-FQEVSTJZSA-N 2 1 372.557 3.215 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000062359833 494010117 /nfs/dbraw/zinc/01/01/17/494010117.db2.gz OUADKLSWGAAGDO-LEWJYISDSA-N 2 1 353.510 3.489 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000052209950 494012086 /nfs/dbraw/zinc/01/20/86/494012086.db2.gz LUUFBVDTJXTBPX-KRWDZBQOSA-N 2 1 363.521 3.447 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]1c1ccc[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077171295 494025444 /nfs/dbraw/zinc/02/54/44/494025444.db2.gz MVPNANDVGOFWHV-NRFANRHFSA-N 2 1 366.509 3.064 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1c1ccc[nH]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000077171295 494025451 /nfs/dbraw/zinc/02/54/51/494025451.db2.gz MVPNANDVGOFWHV-NRFANRHFSA-N 2 1 366.509 3.064 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cn3ccc(Br)cc3n2)CC1 ZINC000574128173 505699941 /nfs/dbraw/zinc/69/99/41/505699941.db2.gz ZZAWEWCCCGTGDY-UHFFFAOYSA-N 2 1 363.303 3.157 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cn3ccc(Br)cc3n2)CC1 ZINC000574128173 505699943 /nfs/dbraw/zinc/69/99/43/505699943.db2.gz ZZAWEWCCCGTGDY-UHFFFAOYSA-N 2 1 363.303 3.157 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000089116142 494267887 /nfs/dbraw/zinc/26/78/87/494267887.db2.gz WKIGMNFJJMSYNP-HNNXBMFYSA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]([C@@H](C)c2ccc(Cl)cc2)C2CC2)CC1 ZINC000089116142 494267888 /nfs/dbraw/zinc/26/78/88/494267888.db2.gz WKIGMNFJJMSYNP-HNNXBMFYSA-N 2 1 363.933 3.466 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000066044788 494272541 /nfs/dbraw/zinc/27/25/41/494272541.db2.gz DCVAVULKGOMZHC-FGZHOGPDSA-N 2 1 365.521 3.242 20 0 FGADMP CC[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000066044788 494272544 /nfs/dbraw/zinc/27/25/44/494272544.db2.gz DCVAVULKGOMZHC-FGZHOGPDSA-N 2 1 365.521 3.242 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCC1 ZINC000078524394 494313756 /nfs/dbraw/zinc/31/37/56/494313756.db2.gz NASRNYFDTGYXDJ-AZUAARDMSA-N 2 1 366.594 3.307 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000044913873 494387956 /nfs/dbraw/zinc/38/79/56/494387956.db2.gz UTXBAFFJPUUUNF-NRFANRHFSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1c[nH+]ccc1N ZINC000577383049 505717747 /nfs/dbraw/zinc/71/77/47/505717747.db2.gz MJJRSSSNACUDEE-OCCSQVGLSA-N 2 1 369.419 3.301 20 0 FGADMP COc1cc(-c2noc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)ccc1C ZINC000577382643 505717849 /nfs/dbraw/zinc/71/78/49/505717849.db2.gz HGLKBMHMIFLZRK-HNNXBMFYSA-N 2 1 356.470 3.018 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000090526040 494478657 /nfs/dbraw/zinc/47/86/57/494478657.db2.gz KWDMUCOTORHKKL-HBMCJLEFSA-N 2 1 374.525 3.266 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000074211190 494498488 /nfs/dbraw/zinc/49/84/88/494498488.db2.gz TXKODHGBLCGMMB-KRWDZBQOSA-N 2 1 371.529 3.400 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2C[C@@H](C)C[C@H]2C)[NH+]2CCCCC2)cc1 ZINC000568570689 505724490 /nfs/dbraw/zinc/72/44/90/505724490.db2.gz GIMLMSWSMBEQLD-UEXGIBASSA-N 2 1 373.541 3.069 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247017 505729102 /nfs/dbraw/zinc/72/91/02/505729102.db2.gz FRRGJGMCHKOYMN-TZIWHRDSSA-N 2 1 363.505 3.345 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H](c1c[nH]c2ccccc21)c1ccccc1)C1CC1 ZINC000574247017 505729105 /nfs/dbraw/zinc/72/91/05/505729105.db2.gz FRRGJGMCHKOYMN-TZIWHRDSSA-N 2 1 363.505 3.345 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000574247519 505729420 /nfs/dbraw/zinc/72/94/20/505729420.db2.gz ZJZKMIKPRQZVBL-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000091456172 494602455 /nfs/dbraw/zinc/60/24/55/494602455.db2.gz RQESXYUHUUPQDQ-UHFFFAOYSA-N 2 1 374.554 3.217 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080159597 494618518 /nfs/dbraw/zinc/61/85/18/494618518.db2.gz WPOXYYYJGFOUBE-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080159597 494618526 /nfs/dbraw/zinc/61/85/26/494618526.db2.gz WPOXYYYJGFOUBE-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080159597 494618534 /nfs/dbraw/zinc/61/85/34/494618534.db2.gz WPOXYYYJGFOUBE-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000115795675 494624170 /nfs/dbraw/zinc/62/41/70/494624170.db2.gz ZEVUTPRGLBRLLN-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177567 494669120 /nfs/dbraw/zinc/66/91/20/494669120.db2.gz OFLACAWGSNWYRJ-NHCUHLMSSA-N 2 1 369.484 3.209 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000108429085 494705942 /nfs/dbraw/zinc/70/59/42/494705942.db2.gz XPKVFIHBLYCGFR-GOSISDBHSA-N 2 1 367.493 3.379 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cn1 ZINC000092739816 494734378 /nfs/dbraw/zinc/73/43/78/494734378.db2.gz XMZCGHWRLRVENN-IBGZPJMESA-N 2 1 370.516 3.469 20 0 FGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)Cc1cccc(F)c1 ZINC000116397145 494772917 /nfs/dbraw/zinc/77/29/17/494772917.db2.gz JXOOXWYQBABCLF-YJBOKZPZSA-N 2 1 351.510 3.129 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000126635650 494807029 /nfs/dbraw/zinc/80/70/29/494807029.db2.gz FGSWSACDYLLAQS-NRSPTQNISA-N 2 1 355.526 3.155 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000126635650 494807035 /nfs/dbraw/zinc/80/70/35/494807035.db2.gz FGSWSACDYLLAQS-NRSPTQNISA-N 2 1 355.526 3.155 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)CC1 ZINC000126647944 494810631 /nfs/dbraw/zinc/81/06/31/494810631.db2.gz ZGUITAGEXJMFDH-JOCHJYFZSA-N 2 1 353.485 3.350 20 0 FGADMP COc1ccc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)ccc2c1 ZINC000093146896 494834996 /nfs/dbraw/zinc/83/49/96/494834996.db2.gz SHKYGBRHRVKRJY-JOCHJYFZSA-N 2 1 367.537 3.450 20 0 FGADMP COc1ccc2cc(C[NH+]3CCN(C[C@H]4CCCC[N@H+]4C)CC3)ccc2c1 ZINC000093146896 494834998 /nfs/dbraw/zinc/83/49/98/494834998.db2.gz SHKYGBRHRVKRJY-JOCHJYFZSA-N 2 1 367.537 3.450 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2CC[NH3+])[C@@H]1c1cccs1 ZINC000577525884 505745658 /nfs/dbraw/zinc/74/56/58/505745658.db2.gz NZSVDSIBWZJSLT-VQIMIIECSA-N 2 1 357.523 3.062 20 0 FGADMP C[C@H](c1nnnn1-c1ccccc1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122038443 494913656 /nfs/dbraw/zinc/91/36/56/494913656.db2.gz CYTPAVYPRDOXRQ-GOSISDBHSA-N 2 1 368.529 3.311 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000127278866 494921755 /nfs/dbraw/zinc/92/17/55/494921755.db2.gz TXKCOYHQEOPCTM-LNLFQRSKSA-N 2 1 374.548 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000127278866 494921757 /nfs/dbraw/zinc/92/17/57/494921757.db2.gz TXKCOYHQEOPCTM-LNLFQRSKSA-N 3 1 374.548 3.243 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000127282051 494922031 /nfs/dbraw/zinc/92/20/31/494922031.db2.gz BEMASQHNBGIODK-MRXNPFEDSA-N 2 1 350.503 3.485 20 0 FGADMP CN(c1ccccc1C[NH2+]CCN1CCCCCC1)C1CC[NH+](C)CC1 ZINC000132859460 494934583 /nfs/dbraw/zinc/93/45/83/494934583.db2.gz RKAYIBIKQHDXIK-UHFFFAOYSA-N 2 1 358.574 3.183 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COc2ccccc2)cc1 ZINC000127900158 495015208 /nfs/dbraw/zinc/01/52/08/495015208.db2.gz VJSVSJINFCASCI-OXQOHEQNSA-N 2 1 351.450 3.271 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC(F)F)C2)[C@H](C)C1 ZINC000127994252 495028116 /nfs/dbraw/zinc/02/81/16/495028116.db2.gz HLKXAPGJDJLYKI-OAGGEKHMSA-N 2 1 353.457 3.187 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000118770736 495033272 /nfs/dbraw/zinc/03/32/72/495033272.db2.gz GPEZHSOMASNLDT-IBGZPJMESA-N 2 1 354.498 3.177 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000118770736 495033275 /nfs/dbraw/zinc/03/32/75/495033275.db2.gz GPEZHSOMASNLDT-IBGZPJMESA-N 2 1 354.498 3.177 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCCC[N@H+]3CCC[C@@H](C)C3)CC2)[nH+]c1 ZINC000097376437 495033898 /nfs/dbraw/zinc/03/38/98/495033898.db2.gz SMFILDDIPJZIMI-LJQANCHMSA-N 2 1 372.557 3.235 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCCC[N@@H+]3CCC[C@@H](C)C3)CC2)[nH+]c1 ZINC000097376437 495033902 /nfs/dbraw/zinc/03/39/02/495033902.db2.gz SMFILDDIPJZIMI-LJQANCHMSA-N 2 1 372.557 3.235 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000111090111 495037816 /nfs/dbraw/zinc/03/78/16/495037816.db2.gz GSTLMSLOZUJYOX-FGZHOGPDSA-N 2 1 365.521 3.460 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000128180798 495056791 /nfs/dbraw/zinc/05/67/91/495056791.db2.gz DKOOSTOFZUYZBG-PGRDOPGGSA-N 2 1 364.537 3.469 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000098173256 495062977 /nfs/dbraw/zinc/06/29/77/495062977.db2.gz QDZUPBQHMFQMFN-LSDHHAIUSA-N 2 1 367.921 3.387 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)[nH+]1 ZINC000128237946 495065568 /nfs/dbraw/zinc/06/55/68/495065568.db2.gz FYBMSZKCDMELMY-INIZCTEOSA-N 2 1 373.522 3.113 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000123190129 495094062 /nfs/dbraw/zinc/09/40/62/495094062.db2.gz JEWVPEHMJFZGHK-HXUWFJFHSA-N 2 1 358.530 3.030 20 0 FGADMP CCn1cccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444842 505760775 /nfs/dbraw/zinc/76/07/75/505760775.db2.gz WQJFFQYTHLJQCV-HXUWFJFHSA-N 2 1 351.494 3.155 20 0 FGADMP CCn1cccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444842 505760776 /nfs/dbraw/zinc/76/07/76/505760776.db2.gz WQJFFQYTHLJQCV-HXUWFJFHSA-N 2 1 351.494 3.155 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444842 505760777 /nfs/dbraw/zinc/76/07/77/505760777.db2.gz WQJFFQYTHLJQCV-HXUWFJFHSA-N 2 1 351.494 3.155 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1=O ZINC000580444842 505760778 /nfs/dbraw/zinc/76/07/78/505760778.db2.gz WQJFFQYTHLJQCV-HXUWFJFHSA-N 2 1 351.494 3.155 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128458726 495100164 /nfs/dbraw/zinc/10/01/64/495100164.db2.gz JORNNXKTCBZEIC-MRXNPFEDSA-N 2 1 373.570 3.192 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000134170504 495116296 /nfs/dbraw/zinc/11/62/96/495116296.db2.gz RGAVDKSGQBOMPH-UHFFFAOYSA-N 2 1 355.530 3.426 20 0 FGADMP C[C@H](CNC(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000111874816 495123996 /nfs/dbraw/zinc/12/39/96/495123996.db2.gz LHLMIZDAIFFPTI-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP COCc1cc(CNc2ncnc3c2cnn3-c2cc[nH+]cc2)ccc1F ZINC000119348155 495147397 /nfs/dbraw/zinc/14/73/97/495147397.db2.gz DVYHWVKFLBNQTM-UHFFFAOYSA-N 2 1 364.384 3.108 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000123558605 495151645 /nfs/dbraw/zinc/15/16/45/495151645.db2.gz LKBIJOJRTICGFE-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)c1 ZINC000123558605 495151649 /nfs/dbraw/zinc/15/16/49/495151649.db2.gz LKBIJOJRTICGFE-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000119437611 495167134 /nfs/dbraw/zinc/16/71/34/495167134.db2.gz VPZOFUQAQPIQQQ-UHFFFAOYSA-N 2 1 374.916 3.473 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000119437611 495167138 /nfs/dbraw/zinc/16/71/38/495167138.db2.gz VPZOFUQAQPIQQQ-UHFFFAOYSA-N 2 1 374.916 3.473 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3Cc4ccccc4O3)CC2)cc1 ZINC000123836675 495194701 /nfs/dbraw/zinc/19/47/01/495194701.db2.gz KGMQLWRTKHVKRY-NRFANRHFSA-N 2 1 354.469 3.426 20 0 FGADMP O=C1[C@H](N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CCN1c1cccc(Cl)c1 ZINC000134906491 495219570 /nfs/dbraw/zinc/21/95/70/495219570.db2.gz NSECVIZOGMESRJ-CDHQVMDDSA-N 2 1 373.928 3.394 20 0 FGADMP C[NH+](C)C1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000134984989 495234613 /nfs/dbraw/zinc/23/46/13/495234613.db2.gz JFMPCYAEPNBGDV-OAQYLSRUSA-N 2 1 371.550 3.370 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CCCOc2ccccc2)CC1)Cc1ccccc1 ZINC000104087634 495268733 /nfs/dbraw/zinc/26/87/33/495268733.db2.gz LYFVUWBMBDUKQN-UHFFFAOYSA-N 2 1 367.537 3.205 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000104343597 495278823 /nfs/dbraw/zinc/27/88/23/495278823.db2.gz KXBSXTJDZSPIMJ-IBGZPJMESA-N 2 1 361.555 3.091 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)N(C)CCCn2cc[nH+]c2C)[NH+](C)C)cc1 ZINC000120089592 495305062 /nfs/dbraw/zinc/30/50/62/495305062.db2.gz FGKQDLLOYLVLQK-HXUWFJFHSA-N 2 1 371.529 3.088 20 0 FGADMP Cc1cc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000113513800 495307738 /nfs/dbraw/zinc/30/77/38/495307738.db2.gz NZVROSPEDQJULC-IAGOWNOFSA-N 2 1 368.949 3.395 20 0 FGADMP Cc1cc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000113513800 495307740 /nfs/dbraw/zinc/30/77/40/495307740.db2.gz NZVROSPEDQJULC-IAGOWNOFSA-N 2 1 368.949 3.395 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000120169391 495320530 /nfs/dbraw/zinc/32/05/30/495320530.db2.gz NKXRQTBVNBVCOM-RTBURBONSA-N 2 1 352.482 3.376 20 0 FGADMP CN(C(=O)NCC[N@@H+](C)C1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113617217 495320852 /nfs/dbraw/zinc/32/08/52/495320852.db2.gz BWCQGNYLYTYMLC-UHFFFAOYSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000105149849 495340480 /nfs/dbraw/zinc/34/04/80/495340480.db2.gz CUFUFSOMKZAHBM-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000105149849 495340485 /nfs/dbraw/zinc/34/04/85/495340485.db2.gz CUFUFSOMKZAHBM-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000105149849 495340490 /nfs/dbraw/zinc/34/04/90/495340490.db2.gz CUFUFSOMKZAHBM-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)CC[C@H]1CCC[C@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241531 495348105 /nfs/dbraw/zinc/34/81/05/495348105.db2.gz WHXORIJTFUSTPI-UYAOXDASSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000120378908 495364542 /nfs/dbraw/zinc/36/45/42/495364542.db2.gz QVMCIVXNHSIYEN-ICSRJNTNSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000120378908 495364548 /nfs/dbraw/zinc/36/45/48/495364548.db2.gz QVMCIVXNHSIYEN-ICSRJNTNSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000114455450 495376755 /nfs/dbraw/zinc/37/67/55/495376755.db2.gz KVZDBYRWNARZQN-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2ccccc2Cl)CC1 ZINC000114455450 495376757 /nfs/dbraw/zinc/37/67/57/495376757.db2.gz KVZDBYRWNARZQN-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000136574421 495388138 /nfs/dbraw/zinc/38/81/38/495388138.db2.gz HAQJISBJNMJODU-NHCUHLMSSA-N 2 1 372.557 3.154 20 0 FGADMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+]([C@H]4CCCC[C@H]4O)CC3)c2O1 ZINC000136582754 495388905 /nfs/dbraw/zinc/38/89/05/495388905.db2.gz OCLBOYGOASIODU-VQTJNVASSA-N 2 1 358.526 3.258 20 0 FGADMP CC1(C)Cc2cccc(C[NH2+]C3CC[NH+]([C@@H]4CCCC[C@@H]4O)CC3)c2O1 ZINC000136582640 495388916 /nfs/dbraw/zinc/38/89/16/495388916.db2.gz OCLBOYGOASIODU-UXHICEINSA-N 2 1 358.526 3.258 20 0 FGADMP CC(=O)NCCC[NH+]1CCC([N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136915638 495408841 /nfs/dbraw/zinc/40/88/41/495408841.db2.gz TYQXBPKLIOZIIH-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP CC(=O)NCCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000136915638 495408845 /nfs/dbraw/zinc/40/88/45/495408845.db2.gz TYQXBPKLIOZIIH-UHFFFAOYSA-N 2 1 371.447 3.128 20 0 FGADMP c1ccc([C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N2CCOCC2)cc1 ZINC000120600091 495414893 /nfs/dbraw/zinc/41/48/93/495414893.db2.gz HGNNHGSXCJXGPN-HSZRJFAPSA-N 2 1 371.569 3.447 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000137683629 495448935 /nfs/dbraw/zinc/44/89/35/495448935.db2.gz MHWBETGXKUJYNO-SFHVURJKSA-N 2 1 359.514 3.222 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000138032809 495455658 /nfs/dbraw/zinc/45/56/58/495455658.db2.gz AHQSOJCFIXGCNM-UHFFFAOYSA-N 2 1 374.573 3.446 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC[C@H](C)C2)c1 ZINC000140554436 495497815 /nfs/dbraw/zinc/49/78/15/495497815.db2.gz ZIORLKPSXKDHNT-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000140554436 495497816 /nfs/dbraw/zinc/49/78/16/495497816.db2.gz ZIORLKPSXKDHNT-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000140554436 495497817 /nfs/dbraw/zinc/49/78/17/495497817.db2.gz ZIORLKPSXKDHNT-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000568827732 505785912 /nfs/dbraw/zinc/78/59/12/505785912.db2.gz FUCAEDBKUDUGFE-RBUKOAKNSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000568827732 505785914 /nfs/dbraw/zinc/78/59/14/505785914.db2.gz FUCAEDBKUDUGFE-RBUKOAKNSA-N 2 1 361.917 3.220 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000125854785 495509561 /nfs/dbraw/zinc/50/95/61/495509561.db2.gz SZQFLKACANKVEJ-LSDHHAIUSA-N 2 1 356.507 3.000 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000125854785 495509563 /nfs/dbraw/zinc/50/95/63/495509563.db2.gz SZQFLKACANKVEJ-LSDHHAIUSA-N 2 1 356.507 3.000 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)c3ccccc3)CC2)C[C@H](C)O1 ZINC000182413687 495554237 /nfs/dbraw/zinc/55/42/37/495554237.db2.gz DJAARKVFUZILIN-KDURUIRLSA-N 2 1 358.526 3.471 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)o1 ZINC000176232103 495557061 /nfs/dbraw/zinc/55/70/61/495557061.db2.gz GWZVVDKGYBMIKN-XVLXNVKGSA-N 2 1 374.529 3.039 20 0 FGADMP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444041 495566522 /nfs/dbraw/zinc/56/65/22/495566522.db2.gz DDOJEGUDKUBSNE-YLJYHZDGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000158693050 495569256 /nfs/dbraw/zinc/56/92/56/495569256.db2.gz ALYCAYYTNRNZJU-HXUWFJFHSA-N 2 1 352.526 3.330 20 0 FGADMP C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000173521693 495570994 /nfs/dbraw/zinc/57/09/94/495570994.db2.gz AXBRTFRYAYLKJC-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173540663 495580936 /nfs/dbraw/zinc/58/09/36/495580936.db2.gz WNHAYYMERYRDPR-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000154339031 495585550 /nfs/dbraw/zinc/58/55/50/495585550.db2.gz KKPGVBZNFIAFJI-UYAOXDASSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCC(C)CC1 ZINC000182563971 495617304 /nfs/dbraw/zinc/61/73/04/495617304.db2.gz GKNDEGKHVVRBOH-CEXWTWQISA-N 2 1 364.578 3.059 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000176368045 495623586 /nfs/dbraw/zinc/62/35/86/495623586.db2.gz WZTRAGXNQULFOZ-RTWAWAEBSA-N 2 1 370.541 3.051 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000182588517 495627263 /nfs/dbraw/zinc/62/72/63/495627263.db2.gz PPRKSXJSNIDZRC-PKOBYXMFSA-N 2 1 364.578 3.155 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000173641666 495629589 /nfs/dbraw/zinc/62/95/89/495629589.db2.gz GCYZJBNZIPCITG-UHFFFAOYSA-N 2 1 364.493 3.202 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2OC(F)F)CC1 ZINC000154537717 495647165 /nfs/dbraw/zinc/64/71/65/495647165.db2.gz DGVDCVLCCIBXJD-HNNXBMFYSA-N 2 1 373.463 3.495 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711873 495691969 /nfs/dbraw/zinc/69/19/69/495691969.db2.gz YDHCSOVLRDVXST-KGLIPLIRSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711873 495691972 /nfs/dbraw/zinc/69/19/72/495691972.db2.gz YDHCSOVLRDVXST-KGLIPLIRSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185711837 495692088 /nfs/dbraw/zinc/69/20/88/495692088.db2.gz YDHCSOVLRDVXST-ZIAGYGMSSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)s1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185711837 495692095 /nfs/dbraw/zinc/69/20/95/495692095.db2.gz YDHCSOVLRDVXST-ZIAGYGMSSA-N 2 1 369.962 3.260 20 0 FGADMP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182761908 495693057 /nfs/dbraw/zinc/69/30/57/495693057.db2.gz YJCUSLRGFAITOT-BKVYNOPKSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185717930 495696456 /nfs/dbraw/zinc/69/64/56/495696456.db2.gz SNSSWMIHJHHRPZ-JENIJYKNSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185717930 495696460 /nfs/dbraw/zinc/69/64/60/495696460.db2.gz SNSSWMIHJHHRPZ-JENIJYKNSA-N 2 1 355.526 3.207 20 0 FGADMP COC(=O)c1ccccc1OCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185730980 495701200 /nfs/dbraw/zinc/70/12/00/495701200.db2.gz NOUJJJVFBXCWTG-SJORKVTESA-N 2 1 360.498 3.095 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734688 495702730 /nfs/dbraw/zinc/70/27/30/495702730.db2.gz DXRHALSWTMDFSY-YESZJQIVSA-N 2 1 361.534 3.034 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734688 495702733 /nfs/dbraw/zinc/70/27/33/495702733.db2.gz DXRHALSWTMDFSY-YESZJQIVSA-N 2 1 361.534 3.034 20 0 FGADMP COc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755556 495712626 /nfs/dbraw/zinc/71/26/26/495712626.db2.gz MXLINANZBFGRMP-IRXDYDNUSA-N 2 1 359.514 3.266 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154738331 495712879 /nfs/dbraw/zinc/71/28/79/495712879.db2.gz UYABDRQOUVHPIA-NHCUHLMSSA-N 2 1 360.542 3.179 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000154738331 495712881 /nfs/dbraw/zinc/71/28/81/495712881.db2.gz UYABDRQOUVHPIA-NHCUHLMSSA-N 2 1 360.542 3.179 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894811 495736704 /nfs/dbraw/zinc/73/67/04/495736704.db2.gz ZTKONHVLBGQXOY-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894811 495736712 /nfs/dbraw/zinc/73/67/12/495736712.db2.gz ZTKONHVLBGQXOY-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894811 495736720 /nfs/dbraw/zinc/73/67/20/495736720.db2.gz ZTKONHVLBGQXOY-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000173894811 495736728 /nfs/dbraw/zinc/73/67/28/495736728.db2.gz ZTKONHVLBGQXOY-UGKGYDQZSA-N 2 1 368.521 3.367 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Cn3cccn3)c2)C1 ZINC000151130801 495747854 /nfs/dbraw/zinc/74/78/54/495747854.db2.gz ACXAOCQADVOTQX-ROUUACIJSA-N 2 1 356.514 3.323 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC(CCC[NH+](C)C)CC3)CC2)[nH+]c1 ZINC000179831895 495752815 /nfs/dbraw/zinc/75/28/15/495752815.db2.gz AXYFOLUQQUIAEG-UHFFFAOYSA-N 2 1 372.557 3.187 20 0 FGADMP C[N@@H+](CCCOc1cccc2ccccc21)CCCN1CC[NH+](C)CC1 ZINC000182962091 495776210 /nfs/dbraw/zinc/77/62/10/495776210.db2.gz BYUZNTLLNTXTAA-UHFFFAOYSA-N 2 1 355.526 3.178 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1cccc(F)c1 ZINC000174069643 495809817 /nfs/dbraw/zinc/80/98/17/495809817.db2.gz FQFIRSPCZKVCGR-UZLBHIALSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)C[C@@H](C)O1 ZINC000171307163 495813679 /nfs/dbraw/zinc/81/36/79/495813679.db2.gz CLASFJSKXPRCIU-IAGOWNOFSA-N 2 1 370.497 3.058 20 0 FGADMP CC[C@H]1Oc2cc([C@@H](C)[NH2+]CCCCn3cc[nH+]c3C)ccc2NC1=O ZINC000180005952 495818497 /nfs/dbraw/zinc/81/84/97/495818497.db2.gz RQDNDGVBMDBKOH-RDTXWAMCSA-N 2 1 356.470 3.432 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000174111766 495825387 /nfs/dbraw/zinc/82/53/87/495825387.db2.gz ZXNGFAURSWDAPC-NRFANRHFSA-N 2 1 357.542 3.137 20 0 FGADMP CCC1CCC([N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)CC1 ZINC000180035038 495831718 /nfs/dbraw/zinc/83/17/18/495831718.db2.gz DZTSAUMENXUUMS-UHFFFAOYSA-N 2 1 357.546 3.162 20 0 FGADMP CCC1CCC([N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C2CC2)CC1 ZINC000180035038 495831723 /nfs/dbraw/zinc/83/17/23/495831723.db2.gz DZTSAUMENXUUMS-UHFFFAOYSA-N 2 1 357.546 3.162 20 0 FGADMP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000176938710 495849296 /nfs/dbraw/zinc/84/92/96/495849296.db2.gz LNGYVTFKLFEVBH-GOSISDBHSA-N 2 1 370.472 3.133 20 0 FGADMP CCOc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171388173 495850892 /nfs/dbraw/zinc/85/08/92/495850892.db2.gz QHPBVKRMJFDNNI-KRWDZBQOSA-N 2 1 359.514 3.220 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCO[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000183148427 495855060 /nfs/dbraw/zinc/85/50/60/495855060.db2.gz YWBAAWLCCCKGRQ-CBPXPLCBSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCn3cncc3C2)cc1 ZINC000151490941 495855771 /nfs/dbraw/zinc/85/57/71/495855771.db2.gz DIYKEXPKIVBFMU-SJLPKXTDSA-N 2 1 352.482 3.459 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000174208626 495864112 /nfs/dbraw/zinc/86/41/12/495864112.db2.gz QRHMQEYLJFRVBS-QUCCMNQESA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc3ccccc32)C1 ZINC000174208626 495864118 /nfs/dbraw/zinc/86/41/18/495864118.db2.gz QRHMQEYLJFRVBS-QUCCMNQESA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCc3ccc(C(F)(F)F)cc3)C2)CC1 ZINC000177026159 495888938 /nfs/dbraw/zinc/88/89/38/495888938.db2.gz HHGIPXTWNNTVDK-IBGZPJMESA-N 2 1 369.475 3.350 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(CO)c1 ZINC000183234433 495890204 /nfs/dbraw/zinc/89/02/04/495890204.db2.gz CTCGVJCBLKYKLV-ROUUACIJSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(CO)c1 ZINC000183234433 495890211 /nfs/dbraw/zinc/89/02/11/495890211.db2.gz CTCGVJCBLKYKLV-ROUUACIJSA-N 2 1 354.494 3.250 20 0 FGADMP Cc1ccc(F)cc1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000180182843 495894466 /nfs/dbraw/zinc/89/44/66/495894466.db2.gz GLKHGZLVHJBNFG-IBGZPJMESA-N 2 1 369.484 3.121 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000155360758 495932130 /nfs/dbraw/zinc/93/21/30/495932130.db2.gz OHNOCZBNMADODM-QGZVFWFLSA-N 2 1 369.513 3.133 20 0 FGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000174406242 495944817 /nfs/dbraw/zinc/94/48/17/495944817.db2.gz LVBLBXSCXNBLMU-KXBFYZLASA-N 2 1 364.917 3.472 20 0 FGADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000174406242 495944821 /nfs/dbraw/zinc/94/48/21/495944821.db2.gz LVBLBXSCXNBLMU-KXBFYZLASA-N 2 1 364.917 3.472 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)cc1 ZINC000186468710 496009636 /nfs/dbraw/zinc/00/96/36/496009636.db2.gz QVHXCOAZDLSQSL-VXKWHMMOSA-N 2 1 363.505 3.272 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000155642971 496022617 /nfs/dbraw/zinc/02/26/17/496022617.db2.gz IVQHWTCKPZQKNZ-QSFXBCCZSA-N 2 1 371.550 3.337 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000155642971 496022620 /nfs/dbraw/zinc/02/26/20/496022620.db2.gz IVQHWTCKPZQKNZ-QSFXBCCZSA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C(C)C ZINC000177394403 496045012 /nfs/dbraw/zinc/04/50/12/496045012.db2.gz LFTUKDFOBHJNBM-KRWDZBQOSA-N 2 1 369.575 3.096 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000171832824 496056133 /nfs/dbraw/zinc/05/61/33/496056133.db2.gz KFXBYJVHCGEQAA-KRWDZBQOSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1cc(NC(=O)c2c[nH+]ccc2N(C)C)ccc1OCC[NH+]1CCCC1 ZINC000183685229 496077912 /nfs/dbraw/zinc/07/79/12/496077912.db2.gz SEWRDUOCFYCSPC-UHFFFAOYSA-N 2 1 368.481 3.183 20 0 FGADMP C[C@H]1C[NH+](CCC2CC[NH+](Cc3cn4ccccc4n3)CC2)C[C@H](C)O1 ZINC000177502728 496088942 /nfs/dbraw/zinc/08/89/42/496088942.db2.gz ZQVFXDYKVMCBLW-ROUUACIJSA-N 2 1 356.514 3.046 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177511274 496091751 /nfs/dbraw/zinc/09/17/51/496091751.db2.gz XVUPBLWEEDJOPT-IBGZPJMESA-N 2 1 364.578 3.347 20 0 FGADMP C[C@H](c1ccccc1Cl)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000171931716 496097693 /nfs/dbraw/zinc/09/76/93/496097693.db2.gz JXOVTGXJJNCMGB-MRXNPFEDSA-N 2 1 363.933 3.277 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cn1cccn1 ZINC000152459244 496159346 /nfs/dbraw/zinc/15/93/46/496159346.db2.gz ICJUMWWAKYGFRW-IAGOWNOFSA-N 2 1 354.498 3.075 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2cccc3ncccc32)C1 ZINC000174943060 496174225 /nfs/dbraw/zinc/17/42/25/496174225.db2.gz FYBQTYSZCNGQKR-DLBZAZTESA-N 2 1 354.498 3.226 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@H](C)C1 ZINC000152625847 496206619 /nfs/dbraw/zinc/20/66/19/496206619.db2.gz MTJLJLRNAQLIEX-QUCCMNQESA-N 2 1 360.542 3.372 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000175154193 496268296 /nfs/dbraw/zinc/26/82/96/496268296.db2.gz VKAQBLLTDCQTRJ-KKSFZXQISA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2c2cccc(F)c2)CC1 ZINC000175154193 496268300 /nfs/dbraw/zinc/26/83/00/496268300.db2.gz VKAQBLLTDCQTRJ-KKSFZXQISA-N 2 1 361.505 3.198 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768827 505834246 /nfs/dbraw/zinc/83/42/46/505834246.db2.gz ABZZQTWWBKRDOT-MBOZVWFJSA-N 2 1 360.523 3.161 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@@H]1c1cccs1 ZINC000580768827 505834248 /nfs/dbraw/zinc/83/42/48/505834248.db2.gz ABZZQTWWBKRDOT-MBOZVWFJSA-N 2 1 360.523 3.161 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582214 496284277 /nfs/dbraw/zinc/28/42/77/496284277.db2.gz NIBMLDWLIRJZPN-SLEUVZQESA-N 2 1 358.267 3.425 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(I)cc1 ZINC000156582214 496284279 /nfs/dbraw/zinc/28/42/79/496284279.db2.gz NIBMLDWLIRJZPN-SLEUVZQESA-N 2 1 358.267 3.425 20 0 FGADMP Cc1cc(-c2nnc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)o2)c(C)o1 ZINC000162123881 496300727 /nfs/dbraw/zinc/30/07/27/496300727.db2.gz SUYYHZJZWOEVKH-UHFFFAOYSA-N 2 1 374.485 3.023 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn(C)nc3C)CC2)cs1 ZINC000178092469 496327017 /nfs/dbraw/zinc/32/70/17/496327017.db2.gz MDWMKUSYXIXRBK-CQSZACIVSA-N 2 1 361.559 3.310 20 0 FGADMP COCCC1(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CCCCC1 ZINC000187196620 496334391 /nfs/dbraw/zinc/33/43/91/496334391.db2.gz IJLATQYJCCRVFT-HXUWFJFHSA-N 2 1 351.579 3.075 20 0 FGADMP C[C@@H](CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175348264 496349934 /nfs/dbraw/zinc/34/99/34/496349934.db2.gz UUAGBPMKDQZBNA-SFHVURJKSA-N 2 1 374.573 3.459 20 0 FGADMP C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156889570 496356498 /nfs/dbraw/zinc/35/64/98/496356498.db2.gz KGUHHKJYZAXXEI-UZLBHIALSA-N 2 1 371.550 3.166 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)CCO4)CC2)nc(C)[nH+]1 ZINC000178321868 496411531 /nfs/dbraw/zinc/41/15/31/496411531.db2.gz PIVYNXZUBZBRNB-HNNXBMFYSA-N 2 1 352.482 3.348 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CCCCN2CC[NH+](CC)CC2)C12CCCCC2 ZINC000181493649 496418350 /nfs/dbraw/zinc/41/83/50/496418350.db2.gz UKLKEPALCIUXRW-VQTJNVASSA-N 2 1 351.579 3.122 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C[C@@H](C)O1 ZINC000162848714 496423347 /nfs/dbraw/zinc/42/33/47/496423347.db2.gz LCWSSZRXXQBCJL-NHCUHLMSSA-N 3 1 373.585 3.173 20 0 FGADMP Cn1c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nnc1C1CCC1 ZINC000181535322 496435708 /nfs/dbraw/zinc/43/57/08/496435708.db2.gz VSCMVPIIMPHPIW-UHFFFAOYSA-N 2 1 368.529 3.216 20 0 FGADMP Cn1c(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nnc1C1CCC1 ZINC000181535322 496435711 /nfs/dbraw/zinc/43/57/11/496435711.db2.gz VSCMVPIIMPHPIW-UHFFFAOYSA-N 2 1 368.529 3.216 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cc3ccccc3s2)CC1 ZINC000569069261 505844009 /nfs/dbraw/zinc/84/40/09/505844009.db2.gz YXVKSNVQCHUVQS-UHFFFAOYSA-N 2 1 366.490 3.229 20 0 FGADMP C[C@]1(CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000578025976 505844525 /nfs/dbraw/zinc/84/45/25/505844525.db2.gz LKDTTZQBBMVUPU-WOJBJXKFSA-N 2 1 366.933 3.034 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000175614033 496465482 /nfs/dbraw/zinc/46/54/82/496465482.db2.gz UUBHIPNKUXHOCZ-GOSISDBHSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@@H]1C ZINC000172864372 496465969 /nfs/dbraw/zinc/46/59/69/496465969.db2.gz XFKCAMIANUQWPH-IAGOWNOFSA-N 2 1 361.555 3.294 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632727 496473928 /nfs/dbraw/zinc/47/39/28/496473928.db2.gz QPMXMEOFRVVTHF-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000175631444 496474346 /nfs/dbraw/zinc/47/43/46/496474346.db2.gz OOWSRDOBLLZGHY-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157514880 496492851 /nfs/dbraw/zinc/49/28/51/496492851.db2.gz ADTQXCXNPAGMEC-GOSISDBHSA-N 2 1 369.509 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163296900 496494993 /nfs/dbraw/zinc/49/49/93/496494993.db2.gz FQSAUKYRORGUPS-UONOGXRCSA-N 2 1 373.419 3.234 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000157538590 496498774 /nfs/dbraw/zinc/49/87/74/496498774.db2.gz IXPUQLLHHSBCCH-KRWDZBQOSA-N 2 1 371.529 3.169 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)cc1 ZINC000580832290 505848504 /nfs/dbraw/zinc/84/85/04/505848504.db2.gz VTPTYFHEXPGHQM-KRWDZBQOSA-N 2 1 373.541 3.250 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccccc2)cc1 ZINC000178653571 496530718 /nfs/dbraw/zinc/53/07/18/496530718.db2.gz OIFAOTUPEJTXHH-VGOFRKELSA-N 2 1 365.477 3.409 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000578048849 505849773 /nfs/dbraw/zinc/84/97/73/505849773.db2.gz SGQBPSYNCJGKOI-NRFANRHFSA-N 2 1 364.493 3.118 20 0 FGADMP C[C@H](CC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C1CC[NH2+]CC1 ZINC000178662733 496533022 /nfs/dbraw/zinc/53/30/22/496533022.db2.gz YHPJBZBBTJTZOZ-KDOFPFPSSA-N 2 1 351.922 3.085 20 0 FGADMP CC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC[N@H+]1Cc1ccccc1 ZINC000184918178 496583712 /nfs/dbraw/zinc/58/37/12/496583712.db2.gz UGWQTIQLMRGGKZ-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@H](NC1CC[NH+](Cc2cccc(F)c2)CC1)c1nnc2ccccn21 ZINC000164101262 496586208 /nfs/dbraw/zinc/58/62/08/496586208.db2.gz XWEUITMDEIWDEW-HNNXBMFYSA-N 2 1 353.445 3.184 20 0 FGADMP C[C@H]1C[NH+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000187882004 496607619 /nfs/dbraw/zinc/60/76/19/496607619.db2.gz VCEUTSBKCSOLNV-BXWFABGCSA-N 2 1 360.477 3.117 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccccc2)C2CC[NH+](C)CC2)C1 ZINC000175967416 496621810 /nfs/dbraw/zinc/62/18/10/496621810.db2.gz VCRMYLGRWIKKTD-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(Cc2ccc(F)c3cccnc23)CC1 ZINC000153921659 496624521 /nfs/dbraw/zinc/62/45/21/496624521.db2.gz DTTVGRIYPMGHSN-HDICACEKSA-N 2 1 370.516 3.364 20 0 FGADMP C[C@@H]1CCCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000187948319 496627834 /nfs/dbraw/zinc/62/78/34/496627834.db2.gz OXDIODKPQLVXSS-QGZVFWFLSA-N 2 1 361.555 3.296 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173310957 496637609 /nfs/dbraw/zinc/63/76/09/496637609.db2.gz SCQLRMZBTRYQRB-YADHBBJMSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccccc1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182030999 496641494 /nfs/dbraw/zinc/64/14/94/496641494.db2.gz XVGIDGCSTIRONA-UEXGIBASSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1sccc1Br ZINC000571965478 505856924 /nfs/dbraw/zinc/85/69/24/505856924.db2.gz VKBYOSOCRBJXLH-LBPRGKRZSA-N 2 1 360.365 3.187 20 0 FGADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000158193575 496647600 /nfs/dbraw/zinc/64/76/00/496647600.db2.gz ZAOOYBFBWIMFTH-GSPCLOLRSA-N 2 1 350.506 3.090 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967971 505857535 /nfs/dbraw/zinc/85/75/35/505857535.db2.gz QLDYKGDXKBDXKH-IRFCIJBXSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000571967971 505857539 /nfs/dbraw/zinc/85/75/39/505857539.db2.gz QLDYKGDXKBDXKH-IRFCIJBXSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000571967971 505857540 /nfs/dbraw/zinc/85/75/40/505857540.db2.gz QLDYKGDXKBDXKH-IRFCIJBXSA-N 2 1 374.573 3.315 20 0 FGADMP CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165885257 496671086 /nfs/dbraw/zinc/67/10/86/496671086.db2.gz OMVXPZGKKGMLGW-LJQANCHMSA-N 2 1 363.571 3.148 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000173416624 496683791 /nfs/dbraw/zinc/68/37/91/496683791.db2.gz BTWJFCHXTIWBPA-ZACQAIPSSA-N 2 1 364.559 3.009 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000188202260 496715601 /nfs/dbraw/zinc/71/56/01/496715601.db2.gz RXVNACDUDLHTOU-CQSZACIVSA-N 2 1 355.320 3.081 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182263609 496722817 /nfs/dbraw/zinc/72/28/17/496722817.db2.gz VHWWHPVRSBWOKM-APWZRJJASA-N 2 1 370.493 3.121 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH+](C)C)cc2)C1 ZINC000185320176 496728609 /nfs/dbraw/zinc/72/86/09/496728609.db2.gz FADTYEFJASSDPN-GOSISDBHSA-N 2 1 360.546 3.012 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246949515 496732405 /nfs/dbraw/zinc/73/24/05/496732405.db2.gz IGZLBRKJVFJBTK-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246949515 496732410 /nfs/dbraw/zinc/73/24/10/496732410.db2.gz IGZLBRKJVFJBTK-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246949515 496732413 /nfs/dbraw/zinc/73/24/13/496732413.db2.gz IGZLBRKJVFJBTK-SFTDATJTSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000246949502 496732467 /nfs/dbraw/zinc/73/24/67/496732467.db2.gz IGZLBRKJVFJBTK-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246949502 496732472 /nfs/dbraw/zinc/73/24/72/496732472.db2.gz IGZLBRKJVFJBTK-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000246949502 496732475 /nfs/dbraw/zinc/73/24/75/496732475.db2.gz IGZLBRKJVFJBTK-LEWJYISDSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)C1 ZINC000247049135 496762812 /nfs/dbraw/zinc/76/28/12/496762812.db2.gz NCVOCKZDCSRQAS-ZIAGYGMSSA-N 2 1 368.319 3.098 20 0 FGADMP CCCn1ccnc1CCC[N@@H+](C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000191476624 496776295 /nfs/dbraw/zinc/77/62/95/496776295.db2.gz KQUSVJKQCLNBQL-GOSISDBHSA-N 2 1 368.525 3.131 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCc2ccccc2C1 ZINC000191476624 496776298 /nfs/dbraw/zinc/77/62/98/496776298.db2.gz KQUSVJKQCLNBQL-GOSISDBHSA-N 2 1 368.525 3.131 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000191485038 496779406 /nfs/dbraw/zinc/77/94/06/496779406.db2.gz WONFZJXGMACFQB-UHFFFAOYSA-N 2 1 374.533 3.056 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1cc(C)nn1C(C)(C)C ZINC000191485038 496779408 /nfs/dbraw/zinc/77/94/08/496779408.db2.gz WONFZJXGMACFQB-UHFFFAOYSA-N 2 1 374.533 3.056 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000247110008 496781499 /nfs/dbraw/zinc/78/14/99/496781499.db2.gz SZQFLKACANKVEJ-HUUCEWRRSA-N 2 1 356.507 3.000 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)c(F)c2)C1 ZINC000247110008 496781502 /nfs/dbraw/zinc/78/15/02/496781502.db2.gz SZQFLKACANKVEJ-HUUCEWRRSA-N 2 1 356.507 3.000 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000191494060 496783080 /nfs/dbraw/zinc/78/30/80/496783080.db2.gz VMIWEHPTHURUPY-GOSISDBHSA-N 2 1 358.461 3.102 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccccc2F)C1=O ZINC000191494060 496783085 /nfs/dbraw/zinc/78/30/85/496783085.db2.gz VMIWEHPTHURUPY-GOSISDBHSA-N 2 1 358.461 3.102 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783137 496784400 /nfs/dbraw/zinc/78/44/00/496784400.db2.gz JGODFSHLRGYXQZ-DYESRHJHSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783137 496784406 /nfs/dbraw/zinc/78/44/06/496784406.db2.gz JGODFSHLRGYXQZ-DYESRHJHSA-N 2 1 369.484 3.056 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000268784387 496784753 /nfs/dbraw/zinc/78/47/53/496784753.db2.gz AWUNYDMIWHHNOA-VGSWGCGISA-N 2 1 367.541 3.123 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H](C)C1 ZINC000247140756 496791518 /nfs/dbraw/zinc/79/15/18/496791518.db2.gz SHWBERJFESXBDR-RXVVDRJESA-N 2 1 369.509 3.359 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOc3ccccc3)nc2)[C@@H](C)C1 ZINC000247140756 496791526 /nfs/dbraw/zinc/79/15/26/496791526.db2.gz SHWBERJFESXBDR-RXVVDRJESA-N 2 1 369.509 3.359 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nnn(-c2ccc(Cl)cc2)c1C ZINC000268857019 496805288 /nfs/dbraw/zinc/80/52/88/496805288.db2.gz LTDDPADTJHZVFA-ZDUSSCGKSA-N 2 1 358.877 3.475 20 0 FGADMP C[C@@H](CNC(=O)c1ccccc1CC1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000572003946 505867254 /nfs/dbraw/zinc/86/72/54/505867254.db2.gz SKFVRWUXVBYAOU-ROUUACIJSA-N 2 1 357.542 3.221 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000247248668 496815489 /nfs/dbraw/zinc/81/54/89/496815489.db2.gz YFFNUJACTHANBG-LMVRJCEZSA-N 2 1 359.558 3.380 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1SC ZINC000268924516 496825367 /nfs/dbraw/zinc/82/53/67/496825367.db2.gz PMKDORPTRLEFFK-RDJZCZTQSA-N 2 1 352.544 3.305 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@](C)(C[NH+]2CCC([NH+]3CCCC3)CC2)C1 ZINC000195159397 496838403 /nfs/dbraw/zinc/83/84/03/496838403.db2.gz GDKMWPSVSXCHLQ-HXUWFJFHSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@H]21 ZINC000268972593 496839059 /nfs/dbraw/zinc/83/90/59/496839059.db2.gz ATZFHJXLBGEYST-NHCUHLMSSA-N 2 1 355.526 3.229 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247401190 496851875 /nfs/dbraw/zinc/85/18/75/496851875.db2.gz XHRIIOYZKGPJEU-ABSDTBQOSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247401190 496851879 /nfs/dbraw/zinc/85/18/79/496851879.db2.gz XHRIIOYZKGPJEU-ABSDTBQOSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000247401190 496851881 /nfs/dbraw/zinc/85/18/81/496851881.db2.gz XHRIIOYZKGPJEU-ABSDTBQOSA-N 2 1 368.949 3.442 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000247459887 496863371 /nfs/dbraw/zinc/86/33/71/496863371.db2.gz QJQRPXAVIHSRJL-IQWRZIDRSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000247459887 496863377 /nfs/dbraw/zinc/86/33/77/496863377.db2.gz QJQRPXAVIHSRJL-IQWRZIDRSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000247459887 496863383 /nfs/dbraw/zinc/86/33/83/496863383.db2.gz QJQRPXAVIHSRJL-IQWRZIDRSA-N 2 1 364.578 3.059 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000247922245 496927222 /nfs/dbraw/zinc/92/72/22/496927222.db2.gz CBYOAABKXHSJBT-QHAWAJNXSA-N 2 1 370.541 3.092 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000580950625 505875429 /nfs/dbraw/zinc/87/54/29/505875429.db2.gz XKYZIQPARRXJFG-SBUREZEXSA-N 2 1 374.488 3.289 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000269491732 496959223 /nfs/dbraw/zinc/95/92/23/496959223.db2.gz OCGYBSJEMCLIJM-SFHVURJKSA-N 2 1 371.529 3.134 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000269491732 496959225 /nfs/dbraw/zinc/95/92/25/496959225.db2.gz OCGYBSJEMCLIJM-SFHVURJKSA-N 2 1 371.529 3.134 20 0 FGADMP Cc1ncc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000580955219 505876721 /nfs/dbraw/zinc/87/67/21/505876721.db2.gz RJFVSNPPSFGEAA-FRQCXROJSA-N 2 1 372.538 3.015 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)CC2 ZINC000580955219 505876724 /nfs/dbraw/zinc/87/67/24/505876724.db2.gz RJFVSNPPSFGEAA-FRQCXROJSA-N 2 1 372.538 3.015 20 0 FGADMP C[C@H]([NH3+])[C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000192114097 496998205 /nfs/dbraw/zinc/99/82/05/496998205.db2.gz NFFZIDYNESCQCH-RYUDHWBXSA-N 2 1 358.313 3.057 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000248461021 497020265 /nfs/dbraw/zinc/02/02/65/497020265.db2.gz XCLNYNYZRHUAKE-IFMALSPDSA-N 2 1 368.546 3.373 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CC2 ZINC000248462198 497020802 /nfs/dbraw/zinc/02/08/02/497020802.db2.gz YCYINRHXEIOXJY-DENIHFKCSA-N 2 1 352.478 3.039 20 0 FGADMP C[C@@H](CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCCC1 ZINC000248506724 497028387 /nfs/dbraw/zinc/02/83/87/497028387.db2.gz WYLSDCXZSJXTIA-FHWLQOOXSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1cccn2c(=O)cc(CN3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)nc12 ZINC000265006905 497030465 /nfs/dbraw/zinc/03/04/65/497030465.db2.gz FCRJVVYWKQIOCN-RTBURBONSA-N 2 1 368.525 3.089 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213747 505880358 /nfs/dbraw/zinc/88/03/58/505880358.db2.gz AYOXUFVFSYGOEH-HZPDHXFCSA-N 2 1 374.447 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)[C@@H](C)C1 ZINC000248735009 497092477 /nfs/dbraw/zinc/09/24/77/497092477.db2.gz KPOSKXDUMGEBTJ-KKXDTOCCSA-N 2 1 367.896 3.247 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3CCc4ccccc4NC3=O)C2)[nH+]1 ZINC000248826710 497111331 /nfs/dbraw/zinc/11/13/31/497111331.db2.gz HEQKBBJHNWOEGI-LPHOPBHVSA-N 2 1 350.466 3.077 20 0 FGADMP CCOC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000248828297 497112412 /nfs/dbraw/zinc/11/24/12/497112412.db2.gz GTSPNQWSAKCTJB-LWYYNNOASA-N 2 1 357.498 3.002 20 0 FGADMP C[C@@H](c1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1)N1CCOCC1 ZINC000265411526 497114655 /nfs/dbraw/zinc/11/46/55/497114655.db2.gz UOYWXRSWRJQMTJ-KRWDZBQOSA-N 2 1 374.529 3.076 20 0 FGADMP CC1(C)CN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000236635222 497124565 /nfs/dbraw/zinc/12/45/65/497124565.db2.gz XXVNBXBNJANOKF-HXUWFJFHSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278472175 497126069 /nfs/dbraw/zinc/12/60/69/497126069.db2.gz JURMOCJZIAWDDK-SJBKTWHCSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278472175 497126071 /nfs/dbraw/zinc/12/60/71/497126071.db2.gz JURMOCJZIAWDDK-SJBKTWHCSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@@H]1C[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278472175 497126077 /nfs/dbraw/zinc/12/60/77/497126077.db2.gz JURMOCJZIAWDDK-SJBKTWHCSA-N 2 1 359.558 3.130 20 0 FGADMP CC(C)(CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236659901 497128877 /nfs/dbraw/zinc/12/88/77/497128877.db2.gz KIRACDLGQDBTSI-FQEVSTJZSA-N 2 1 351.494 3.030 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236682344 497132064 /nfs/dbraw/zinc/13/20/64/497132064.db2.gz RLOASTBZRFSCAT-FCHUYYIVSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000265570074 497141310 /nfs/dbraw/zinc/14/13/10/497141310.db2.gz HDEYBYNTYBYIHY-KRWDZBQOSA-N 2 1 355.482 3.447 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000236804302 497148819 /nfs/dbraw/zinc/14/88/19/497148819.db2.gz ADZOPEXJRWMQOZ-SFTDATJTSA-N 3 1 358.574 3.181 20 0 FGADMP C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763061 497159587 /nfs/dbraw/zinc/15/95/87/497159587.db2.gz KQRDDBCHZZVSJI-AEFFLSMTSA-N 2 1 356.539 3.032 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236896014 497165046 /nfs/dbraw/zinc/16/50/46/497165046.db2.gz DLWSUVZNWYFIJR-MLNNCEHLSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1[nH+]ccn1CCN1CCCN(CCn2cc[nH+]c2C)c2ccccc21 ZINC000270650075 497170453 /nfs/dbraw/zinc/17/04/53/497170453.db2.gz LQLQXAASBARJSN-UHFFFAOYSA-N 2 1 364.497 3.113 20 0 FGADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000278644047 497177172 /nfs/dbraw/zinc/17/71/72/497177172.db2.gz HRZOZHXAOLQULT-OAHLLOKOSA-N 2 1 360.454 3.248 20 0 FGADMP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000189615011 497182690 /nfs/dbraw/zinc/18/26/90/497182690.db2.gz XTHDBOMQYIGGFC-KRWDZBQOSA-N 2 1 366.937 3.068 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000192754562 497204867 /nfs/dbraw/zinc/20/48/67/497204867.db2.gz UMJFCYQNZPNMDC-HSZRJFAPSA-N 2 1 373.585 3.126 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000265951392 497216149 /nfs/dbraw/zinc/21/61/49/497216149.db2.gz DVUZUEIHFCCEAX-HXUWFJFHSA-N 2 1 357.542 3.476 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000265951391 497216321 /nfs/dbraw/zinc/21/63/21/497216321.db2.gz DVUZUEIHFCCEAX-FQEVSTJZSA-N 2 1 357.542 3.476 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]([NH3+])c1ccccc1 ZINC000237428831 497235195 /nfs/dbraw/zinc/23/51/95/497235195.db2.gz UNQGDWOERATGLM-LAUBAEHRSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249710876 497235726 /nfs/dbraw/zinc/23/57/26/497235726.db2.gz YDANRJTYZKXVKF-YJBOKZPZSA-N 2 1 369.347 3.207 20 0 FGADMP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000237474328 497242319 /nfs/dbraw/zinc/24/23/19/497242319.db2.gz RDGNLNMCWOLLSI-NQIIRXRSSA-N 2 1 351.494 3.027 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[C@H]([NH3+])c2ccccc2)cc1)[NH+]1CCOCC1 ZINC000237475097 497242488 /nfs/dbraw/zinc/24/24/88/497242488.db2.gz WMPYOIXGSBICLW-UWJYYQICSA-N 2 1 367.493 3.499 20 0 FGADMP C[C@H](CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000237503627 497247750 /nfs/dbraw/zinc/24/77/50/497247750.db2.gz ISZUQKCLBIHTRT-WIYYLYMNSA-N 2 1 357.542 3.135 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3ccccc3N3CCOCC3)C2)cc1 ZINC000192934428 497250707 /nfs/dbraw/zinc/25/07/07/497250707.db2.gz WZNUBUJMYLKXBI-NRFANRHFSA-N 2 1 365.521 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)C1 ZINC000237557492 497254799 /nfs/dbraw/zinc/25/47/99/497254799.db2.gz SQSQOZJCTPZOJQ-UEXGIBASSA-N 2 1 369.553 3.170 20 0 FGADMP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237596082 497261463 /nfs/dbraw/zinc/26/14/63/497261463.db2.gz URTOMELVPKFWKF-AMZGXZFVSA-N 2 1 369.553 3.324 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000250220915 497263717 /nfs/dbraw/zinc/26/37/17/497263717.db2.gz SMIQQLCUZBINGF-IJEWVQPXSA-N 2 1 351.288 3.489 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000250220915 497263721 /nfs/dbraw/zinc/26/37/21/497263721.db2.gz SMIQQLCUZBINGF-IJEWVQPXSA-N 2 1 351.288 3.489 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000250777464 497270239 /nfs/dbraw/zinc/27/02/39/497270239.db2.gz VPBBOICFRQISAP-NHCUHLMSSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000250777464 497270242 /nfs/dbraw/zinc/27/02/42/497270242.db2.gz VPBBOICFRQISAP-NHCUHLMSSA-N 2 1 357.542 3.420 20 0 FGADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000250777464 497270246 /nfs/dbraw/zinc/27/02/46/497270246.db2.gz VPBBOICFRQISAP-NHCUHLMSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237659008 497271135 /nfs/dbraw/zinc/27/11/35/497271135.db2.gz RVTPSSBTLGXKGN-IAGOWNOFSA-N 2 1 363.571 3.102 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000251720176 497283529 /nfs/dbraw/zinc/28/35/29/497283529.db2.gz LMNWPUAMYMLKAY-KAGYGMCKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000251720176 497283533 /nfs/dbraw/zinc/28/35/33/497283533.db2.gz LMNWPUAMYMLKAY-KAGYGMCKSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000279030737 497309638 /nfs/dbraw/zinc/30/96/38/497309638.db2.gz WCGSBVIIWSAJKW-HZPDHXFCSA-N 2 1 355.486 3.326 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656386 497315742 /nfs/dbraw/zinc/31/57/42/497315742.db2.gz CZQCLSDQSFMAQF-BBWFWOEESA-N 2 1 372.488 3.080 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000252656386 497315748 /nfs/dbraw/zinc/31/57/48/497315748.db2.gz CZQCLSDQSFMAQF-BBWFWOEESA-N 2 1 372.488 3.080 20 0 FGADMP C[C@H]([NH3+])CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000193290263 497341740 /nfs/dbraw/zinc/34/17/40/497341740.db2.gz BUZYTDPPPKNXFQ-SFHVURJKSA-N 2 1 351.494 3.048 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000245417811 497395961 /nfs/dbraw/zinc/39/59/61/497395961.db2.gz GIAIVFPDWIFOIA-PKOBYXMFSA-N 2 1 363.571 3.368 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190211822 497401304 /nfs/dbraw/zinc/40/13/04/497401304.db2.gz UPTHUHFDENMWNO-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](NC(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573987 497415466 /nfs/dbraw/zinc/41/54/66/497415466.db2.gz AXSSDISZINDFGF-WMQCIHAUSA-N 2 1 351.494 3.103 20 0 FGADMP COc1cccc2cc([C@H](C)[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)oc21 ZINC000271854468 497471077 /nfs/dbraw/zinc/47/10/77/497471077.db2.gz JDMRCZXUGYOJRG-WBAXXEDZSA-N 2 1 358.482 3.470 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000245619026 497476208 /nfs/dbraw/zinc/47/62/08/497476208.db2.gz DPEFMSKINHCSCZ-WOJBJXKFSA-N 2 1 352.482 3.315 20 0 FGADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261992467 497488910 /nfs/dbraw/zinc/48/89/10/497488910.db2.gz SMLSYUNUVOPCOD-CVEARBPZSA-N 2 1 366.347 3.127 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1OC1CCCC1 ZINC000262025500 497495579 /nfs/dbraw/zinc/49/55/79/497495579.db2.gz WYYWMLVAEBIGQO-AQNXPRMDSA-N 2 1 374.525 3.263 20 0 FGADMP CN(C)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000245673498 497496329 /nfs/dbraw/zinc/49/63/29/497496329.db2.gz HREHDADHUFCAEX-WKCHPHFGSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000245673498 497496331 /nfs/dbraw/zinc/49/63/31/497496331.db2.gz HREHDADHUFCAEX-WKCHPHFGSA-N 2 1 350.510 3.433 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(OC2CCCC2)c1 ZINC000262046102 497498945 /nfs/dbraw/zinc/49/89/45/497498945.db2.gz ZCNKOMPNPWGGFY-HBMCJLEFSA-N 2 1 374.525 3.263 20 0 FGADMP c1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000262120506 497512037 /nfs/dbraw/zinc/51/20/37/497512037.db2.gz XGMFDAKCJAGJFX-JOCHJYFZSA-N 2 1 359.477 3.120 20 0 FGADMP c1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000262120506 497512043 /nfs/dbraw/zinc/51/20/43/497512043.db2.gz XGMFDAKCJAGJFX-JOCHJYFZSA-N 2 1 359.477 3.120 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCCOC[C@H]2CCOC2)C3)cc1 ZINC000245717310 497515235 /nfs/dbraw/zinc/51/52/35/497515235.db2.gz OFAUYXBMWHFLRH-YUMYIRISSA-N 2 1 358.526 3.215 20 0 FGADMP CCn1c2ccccc2c2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)ccc21 ZINC000262166920 497519418 /nfs/dbraw/zinc/51/94/18/497519418.db2.gz UKUAEOOSFBMFAH-IBGZPJMESA-N 2 1 362.521 3.294 20 0 FGADMP C[C@H]1C[C@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262261726 497531274 /nfs/dbraw/zinc/53/12/74/497531274.db2.gz JLXOJAMMAFNCGQ-OYXUHDIQSA-N 2 1 369.553 3.309 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)C=Cc2c[nH]cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276579050 497604791 /nfs/dbraw/zinc/60/47/91/497604791.db2.gz LJQKDUORPUFIJM-YMKOARSKSA-N 2 1 362.836 3.025 20 0 FGADMP CN1CC[C@H](CNC(=O)C=Cc2c[nH]cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000276579050 497604795 /nfs/dbraw/zinc/60/47/95/497604795.db2.gz LJQKDUORPUFIJM-YMKOARSKSA-N 2 1 362.836 3.025 20 0 FGADMP COC(=O)N1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000272384259 497613941 /nfs/dbraw/zinc/61/39/41/497613941.db2.gz FTQXQOVYDIKZFX-ACDBMABISA-N 2 1 357.498 3.002 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)NC3CCC(C)CC3)C2)[nH+]1 ZINC000246086513 497617458 /nfs/dbraw/zinc/61/74/58/497617458.db2.gz FIVFKVBQJAVUDN-BEVRRMAYSA-N 2 1 358.530 3.207 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194270089 497618927 /nfs/dbraw/zinc/61/89/27/497618927.db2.gz YAWNDRFBRCWDJO-SFHVURJKSA-N 2 1 369.553 3.409 20 0 FGADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)C1(C)C ZINC000262803823 497625193 /nfs/dbraw/zinc/62/51/93/497625193.db2.gz SADPGGGOMOHIBL-NBCNXNJRSA-N 2 1 373.541 3.390 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000272437392 497628839 /nfs/dbraw/zinc/62/88/39/497628839.db2.gz SBGNLYNIEATLEQ-WKCHPHFGSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1ccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272437392 497628846 /nfs/dbraw/zinc/62/88/46/497628846.db2.gz SBGNLYNIEATLEQ-WKCHPHFGSA-N 2 1 350.510 3.433 20 0 FGADMP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(Br)c1 ZINC000575095723 505919966 /nfs/dbraw/zinc/91/99/66/505919966.db2.gz SAPGGJXWADXMBE-MLGOLLRUSA-N 2 1 369.303 3.008 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000276741563 497642430 /nfs/dbraw/zinc/64/24/30/497642430.db2.gz GPEVZGJJWIGRCY-AWEZNQCLSA-N 2 1 356.507 3.002 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000276741567 497642702 /nfs/dbraw/zinc/64/27/02/497642702.db2.gz GPEVZGJJWIGRCY-CQSZACIVSA-N 2 1 356.507 3.002 20 0 FGADMP C[C@@H]([NH2+]CCNC(=O)c1ccccc1F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272529240 497652818 /nfs/dbraw/zinc/65/28/18/497652818.db2.gz AIIJNQRUSDOVKH-MJGOQNOKSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000246213809 497663323 /nfs/dbraw/zinc/66/33/23/497663323.db2.gz YFMKYAFYHFWUNH-KBPBESRZSA-N 2 1 368.319 3.050 20 0 FGADMP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000194436228 497667450 /nfs/dbraw/zinc/66/74/50/497667450.db2.gz IHJHGEZGMZHOSH-FQEVSTJZSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000246293699 497686030 /nfs/dbraw/zinc/68/60/30/497686030.db2.gz IPCONCZSEQZOJB-VQTJNVASSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000246293699 497686032 /nfs/dbraw/zinc/68/60/32/497686032.db2.gz IPCONCZSEQZOJB-VQTJNVASSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000246293699 497686035 /nfs/dbraw/zinc/68/60/35/497686035.db2.gz IPCONCZSEQZOJB-VQTJNVASSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246297540 497687552 /nfs/dbraw/zinc/68/75/52/497687552.db2.gz DXWWCLVJWKLSIF-SBHAEUEKSA-N 2 1 357.542 3.402 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000246297540 497687556 /nfs/dbraw/zinc/68/75/56/497687556.db2.gz DXWWCLVJWKLSIF-SBHAEUEKSA-N 2 1 357.542 3.402 20 0 FGADMP Cc1nn(Cc2ccccc2Cl)c(C)c1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194542197 497700052 /nfs/dbraw/zinc/70/00/52/497700052.db2.gz IXPWEOFJDISFAS-HDICACEKSA-N 2 1 358.917 3.195 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000246410188 497723996 /nfs/dbraw/zinc/72/39/96/497723996.db2.gz KWUVHFNCXDPVRN-GHTZIAJQSA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000246410188 497724002 /nfs/dbraw/zinc/72/40/02/497724002.db2.gz KWUVHFNCXDPVRN-GHTZIAJQSA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000246410188 497724007 /nfs/dbraw/zinc/72/40/07/497724007.db2.gz KWUVHFNCXDPVRN-GHTZIAJQSA-N 2 1 374.573 3.399 20 0 FGADMP CC[C@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000263300234 497753479 /nfs/dbraw/zinc/75/34/79/497753479.db2.gz DASZNZAOKZFXOC-NHCUHLMSSA-N 2 1 351.494 3.030 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000246510472 497758436 /nfs/dbraw/zinc/75/84/36/497758436.db2.gz TZVXUJODYOVBTB-RYGJVYDSSA-N 2 1 362.514 3.122 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)[C@H](C)C1 ZINC000246522971 497762159 /nfs/dbraw/zinc/76/21/59/497762159.db2.gz VBRQDOJYBZFBMD-GGPKGHCWSA-N 2 1 374.573 3.488 20 0 FGADMP COc1ccc2c(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc(=O)oc2c1 ZINC000246527394 497764170 /nfs/dbraw/zinc/76/41/70/497764170.db2.gz JEKUCIRXRKPWPC-MGPUTAFESA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000246527394 497764176 /nfs/dbraw/zinc/76/41/76/497764176.db2.gz JEKUCIRXRKPWPC-MGPUTAFESA-N 2 1 368.477 3.250 20 0 FGADMP COc1ccc2c(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc(=O)oc2c1 ZINC000246527394 497764182 /nfs/dbraw/zinc/76/41/82/497764182.db2.gz JEKUCIRXRKPWPC-MGPUTAFESA-N 2 1 368.477 3.250 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531199 497765127 /nfs/dbraw/zinc/76/51/27/497765127.db2.gz VTMDOUDKKPQIHG-JBACZVJFSA-N 2 1 374.573 3.441 20 0 FGADMP CCN(C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246570774 497778078 /nfs/dbraw/zinc/77/80/78/497778078.db2.gz LJCDORISMIFISR-WFXMLNOXSA-N 2 1 355.526 3.377 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246810487 497812709 /nfs/dbraw/zinc/81/27/09/497812709.db2.gz ADTNQFWFJZPMIG-NZQKXSOJSA-N 3 1 373.585 3.378 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246810487 497812711 /nfs/dbraw/zinc/81/27/11/497812711.db2.gz ADTNQFWFJZPMIG-NZQKXSOJSA-N 2 1 373.585 3.378 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896325 497819133 /nfs/dbraw/zinc/81/91/33/497819133.db2.gz FQSAUKYRORGUPS-ZIAGYGMSSA-N 2 1 373.419 3.234 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)COc1cccc(Cl)c1Cl ZINC000246924059 497820581 /nfs/dbraw/zinc/82/05/81/497820581.db2.gz GWEKSUDOLUTFHP-BHPKHCPMSA-N 2 1 361.313 3.051 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCc3ccc(O)cc32)c2cccs2)CC1 ZINC000572301240 505937073 /nfs/dbraw/zinc/93/70/73/505937073.db2.gz OUAGAEYYDVXUTG-UXHICEINSA-N 2 1 371.550 3.409 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000581240129 505941311 /nfs/dbraw/zinc/94/13/11/505941311.db2.gz VBTZUQIGVNZVHW-MSOLQXFVSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(CC[NH+](C)C)C3CCCC3)sc2C1 ZINC000364445129 497961756 /nfs/dbraw/zinc/96/17/56/497961756.db2.gz DLPDBOBESINEDE-UHFFFAOYSA-N 2 1 350.576 3.216 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000578512472 505957890 /nfs/dbraw/zinc/95/78/90/505957890.db2.gz VWERQVUYVPIXDB-UWJYYQICSA-N 2 1 364.493 3.461 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2nc3ccccc3n2C)cc1 ZINC000578512472 505957892 /nfs/dbraw/zinc/95/78/92/505957892.db2.gz VWERQVUYVPIXDB-UWJYYQICSA-N 2 1 364.493 3.461 20 0 FGADMP CCN1CC[C@H](NC(=O)[C@@H](C)[NH+]2CC(C)C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578521037 505960203 /nfs/dbraw/zinc/96/02/03/505960203.db2.gz KNGKEJLTQIFMKP-JEBQAFNWSA-N 2 1 367.896 3.071 20 0 FGADMP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000581320020 505960686 /nfs/dbraw/zinc/96/06/86/505960686.db2.gz QWJAXFYJIWFYHC-FXAWDEMLSA-N 2 1 357.542 3.174 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000575397730 505971731 /nfs/dbraw/zinc/97/17/31/505971731.db2.gz DXZATCVXQXDIGF-RTWAWAEBSA-N 2 1 373.541 3.027 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)cc1 ZINC000575397728 505971761 /nfs/dbraw/zinc/97/17/61/505971761.db2.gz DXZATCVXQXDIGF-LEWJYISDSA-N 2 1 373.541 3.027 20 0 FGADMP CC(C)n1ccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000569602815 505974110 /nfs/dbraw/zinc/97/41/10/505974110.db2.gz CFYCLKZHVMCNJS-UHFFFAOYSA-N 2 1 355.530 3.284 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccsc1 ZINC000581386828 505976750 /nfs/dbraw/zinc/97/67/50/505976750.db2.gz OZRNKTVPWMGFDL-QAPCUYQASA-N 2 1 360.527 3.015 20 0 FGADMP Fc1cncc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C2CC2)c1 ZINC000281316520 498102380 /nfs/dbraw/zinc/10/23/80/498102380.db2.gz SFWPTPIPPOHUDG-OAQYLSRUSA-N 2 1 355.457 3.294 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000285557897 498127645 /nfs/dbraw/zinc/12/76/45/498127645.db2.gz FQCMUCGZAREDGD-OUUKCGNVSA-N 2 1 369.553 3.465 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000364829663 498163247 /nfs/dbraw/zinc/16/32/47/498163247.db2.gz LJGQCSHCECDHOT-GHTZIAJQSA-N 2 1 368.525 3.068 20 0 FGADMP CC(C)[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650887 505989247 /nfs/dbraw/zinc/98/92/47/505989247.db2.gz PQUFFNCVUDHVKZ-RTBURBONSA-N 2 1 353.514 3.299 20 0 FGADMP CC(C)[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650887 505989253 /nfs/dbraw/zinc/98/92/53/505989253.db2.gz PQUFFNCVUDHVKZ-RTBURBONSA-N 2 1 353.514 3.299 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000569675637 505990455 /nfs/dbraw/zinc/99/04/55/505990455.db2.gz FUHDLLNKWXDJAF-WSTZPKSXSA-N 2 1 372.557 3.330 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950850 498250662 /nfs/dbraw/zinc/25/06/62/498250662.db2.gz DXTAJXFISBNJHV-LEWJYISDSA-N 2 1 368.525 3.388 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](c2ncc[nH]2)C2CCCCC2)C1 ZINC000285950850 498250666 /nfs/dbraw/zinc/25/06/66/498250666.db2.gz DXTAJXFISBNJHV-LEWJYISDSA-N 2 1 368.525 3.388 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCOCC(F)(F)C(F)F)CC2)C1CC1 ZINC000365005858 498250994 /nfs/dbraw/zinc/25/09/94/498250994.db2.gz UJVJKFJBEZLKAD-CYBMUJFWSA-N 2 1 352.416 3.100 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000365113506 498302694 /nfs/dbraw/zinc/30/26/94/498302694.db2.gz LKYMXEQPGXUQLB-UHFFFAOYSA-N 2 1 361.449 3.424 20 0 FGADMP Cc1cc([C@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575840400 506015027 /nfs/dbraw/zinc/01/50/27/506015027.db2.gz REJSHFPJZMSKLO-SJLPKXTDSA-N 2 1 367.331 3.350 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000297162391 498338887 /nfs/dbraw/zinc/33/88/87/498338887.db2.gz MSQOKHKEEJFDPK-LJQANCHMSA-N 2 1 355.526 3.032 20 0 FGADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2c[nH]nc2C)cc1 ZINC000289923963 498354021 /nfs/dbraw/zinc/35/40/21/498354021.db2.gz VZLQNBQGZBYZSM-UHFFFAOYSA-N 2 1 353.470 3.406 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878935 506024237 /nfs/dbraw/zinc/02/42/37/506024237.db2.gz DOZHGSPQWDYJGN-LPHOPBHVSA-N 2 1 365.949 3.427 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000575878935 506024241 /nfs/dbraw/zinc/02/42/41/506024241.db2.gz DOZHGSPQWDYJGN-LPHOPBHVSA-N 2 1 365.949 3.427 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CCC[NH+](C)Cc1ccncc1)c1ccccc1 ZINC000569827274 506025687 /nfs/dbraw/zinc/02/56/87/506025687.db2.gz FYUZGDIUBIKASP-OAQYLSRUSA-N 2 1 368.525 3.055 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC3CCOCC3)CC23CC3)cc1 ZINC000581607126 506026908 /nfs/dbraw/zinc/02/69/08/506026908.db2.gz JDAONRVCMRZNNZ-FQEVSTJZSA-N 2 1 358.526 3.359 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC3CCOCC3)CC23CC3)cc1 ZINC000581607126 506026909 /nfs/dbraw/zinc/02/69/09/506026909.db2.gz JDAONRVCMRZNNZ-FQEVSTJZSA-N 2 1 358.526 3.359 20 0 FGADMP CCN(C(=O)N[C@@H]1C[C@H](C)n2ccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575889067 506027287 /nfs/dbraw/zinc/02/72/87/506027287.db2.gz FHWOKIPQGSUMHK-QXAKKESOSA-N 2 1 367.497 3.195 20 0 FGADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000578824372 506028413 /nfs/dbraw/zinc/02/84/13/506028413.db2.gz GJTNAFRVZNXVMZ-ICFOKQHNSA-N 2 1 367.484 3.261 20 0 FGADMP O=C1Nc2ccccc2CC[C@H]1[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000282166548 498407681 /nfs/dbraw/zinc/40/76/81/498407681.db2.gz UUTUXBVOUGLGSA-FXAWDEMLSA-N 2 1 364.493 3.352 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)cccc1N1CCOCC1 ZINC000293631867 498434706 /nfs/dbraw/zinc/43/47/06/498434706.db2.gz RCROCGKUWVQXPH-HNNXBMFYSA-N 2 1 362.905 3.107 20 0 FGADMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc1 ZINC000361946422 498443423 /nfs/dbraw/zinc/44/34/23/498443423.db2.gz XEFNHQIVWWFQLQ-APWZRJJASA-N 2 1 372.538 3.106 20 0 FGADMP COc1ccc(CCNC(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cc1 ZINC000361946428 498443603 /nfs/dbraw/zinc/44/36/03/498443603.db2.gz XEFNHQIVWWFQLQ-VQIMIIECSA-N 2 1 372.538 3.106 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290183236 498454999 /nfs/dbraw/zinc/45/49/99/498454999.db2.gz FLRDRBLMHXJJAP-IRXDYDNUSA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000290183236 498455008 /nfs/dbraw/zinc/45/50/08/498455008.db2.gz FLRDRBLMHXJJAP-IRXDYDNUSA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290183236 498455012 /nfs/dbraw/zinc/45/50/12/498455012.db2.gz FLRDRBLMHXJJAP-IRXDYDNUSA-N 2 1 350.503 3.277 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000290183236 498455018 /nfs/dbraw/zinc/45/50/18/498455018.db2.gz FLRDRBLMHXJJAP-IRXDYDNUSA-N 2 1 350.503 3.277 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860727 498479159 /nfs/dbraw/zinc/47/91/59/498479159.db2.gz YMNASNLYAAFDEK-JZXOWHBKSA-N 2 1 372.513 3.245 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860727 498479167 /nfs/dbraw/zinc/47/91/67/498479167.db2.gz YMNASNLYAAFDEK-JZXOWHBKSA-N 2 1 372.513 3.245 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000331860727 498479172 /nfs/dbraw/zinc/47/91/72/498479172.db2.gz YMNASNLYAAFDEK-JZXOWHBKSA-N 2 1 372.513 3.245 20 0 FGADMP CC[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000293756546 498479595 /nfs/dbraw/zinc/47/95/95/498479595.db2.gz OQCQBKJMRJSHOI-LJQANCHMSA-N 2 1 360.498 3.159 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000362416433 498513508 /nfs/dbraw/zinc/51/35/08/498513508.db2.gz DDFJKUHUQPICSC-IBGZPJMESA-N 2 1 368.525 3.109 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000362416433 498513512 /nfs/dbraw/zinc/51/35/12/498513512.db2.gz DDFJKUHUQPICSC-IBGZPJMESA-N 2 1 368.525 3.109 20 0 FGADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000293872837 498518302 /nfs/dbraw/zinc/51/83/02/498518302.db2.gz CQMPLAXSEOVCKD-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)ccc1OC ZINC000293872837 498518309 /nfs/dbraw/zinc/51/83/09/498518309.db2.gz CQMPLAXSEOVCKD-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)ccc1OC ZINC000293872837 498518314 /nfs/dbraw/zinc/51/83/14/498518314.db2.gz CQMPLAXSEOVCKD-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)ccc1OC ZINC000293872837 498518322 /nfs/dbraw/zinc/51/83/22/498518322.db2.gz CQMPLAXSEOVCKD-DFNIBXOVSA-N 2 1 362.514 3.168 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)C1=O ZINC000293919191 498533606 /nfs/dbraw/zinc/53/36/06/498533606.db2.gz XTHAIOWIDPMOPP-SMOSDQRPSA-N 2 1 370.472 3.267 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)n1 ZINC000302785716 498574253 /nfs/dbraw/zinc/57/42/53/498574253.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000302785716 498574259 /nfs/dbraw/zinc/57/42/59/498574259.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000302785716 498574264 /nfs/dbraw/zinc/57/42/64/498574264.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785716 498574270 /nfs/dbraw/zinc/57/42/70/498574270.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785716 498574275 /nfs/dbraw/zinc/57/42/75/498574275.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000302785716 498574278 /nfs/dbraw/zinc/57/42/78/498574278.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000302785716 498574285 /nfs/dbraw/zinc/57/42/85/498574285.db2.gz VSFNRMDIKKGAST-QZTJIDSGSA-N 3 1 374.577 3.107 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297972828 498626409 /nfs/dbraw/zinc/62/64/09/498626409.db2.gz XLIIHCPDGHSCBC-HKUYNNGSSA-N 2 1 369.513 3.130 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000302937366 498631179 /nfs/dbraw/zinc/63/11/79/498631179.db2.gz ASABJMXLXIWZOM-SBHAEUEKSA-N 2 1 366.594 3.308 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000363077957 498638447 /nfs/dbraw/zinc/63/84/47/498638447.db2.gz DLWJATONIXDJGT-HXUWFJFHSA-N 2 1 372.557 3.269 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000581828141 506069012 /nfs/dbraw/zinc/06/90/12/506069012.db2.gz PNWBKLLEMLEVMU-UHFFFAOYSA-N 2 1 354.285 3.135 20 0 FGADMP C[C@@H]1CC[C@H](C)N(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365836778 498663028 /nfs/dbraw/zinc/66/30/28/498663028.db2.gz JHIPNQSYXDEVDF-MSOLQXFVSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@@H]1C[C@H](C)CN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365843994 498666752 /nfs/dbraw/zinc/66/67/52/498666752.db2.gz SDNGHIVLFLUTQT-PKOBYXMFSA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000303462666 498678327 /nfs/dbraw/zinc/67/83/27/498678327.db2.gz LVIDNEIKQBCBCA-WOJBJXKFSA-N 2 1 364.578 3.158 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000303524693 498687620 /nfs/dbraw/zinc/68/76/20/498687620.db2.gz DASURHIRSIYLBP-LJQANCHMSA-N 2 1 352.567 3.062 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(CC(F)F)CC1 ZINC000579041623 506080312 /nfs/dbraw/zinc/08/03/12/506080312.db2.gz QZOPUYIPSVKASJ-UHFFFAOYSA-N 2 1 353.501 3.417 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCCN(CC(F)F)CC1 ZINC000579041623 506080316 /nfs/dbraw/zinc/08/03/16/506080316.db2.gz QZOPUYIPSVKASJ-UHFFFAOYSA-N 2 1 353.501 3.417 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCCN(CC(F)F)CC1 ZINC000579041623 506080318 /nfs/dbraw/zinc/08/03/18/506080318.db2.gz QZOPUYIPSVKASJ-UHFFFAOYSA-N 2 1 353.501 3.417 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCCN(CC(F)F)CC1 ZINC000579041623 506080321 /nfs/dbraw/zinc/08/03/21/506080321.db2.gz QZOPUYIPSVKASJ-UHFFFAOYSA-N 2 1 353.501 3.417 20 0 FGADMP O=C(c1ccc(C[NH+]2CCCCC2)cc1)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363260487 498733271 /nfs/dbraw/zinc/73/32/71/498733271.db2.gz WSPYAOAXNLXMEQ-FDFHNCONSA-N 2 1 367.537 3.229 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000312091289 498756382 /nfs/dbraw/zinc/75/63/82/498756382.db2.gz ZMEBPFSWWTZUSL-GOSISDBHSA-N 2 1 355.482 3.193 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000312091289 498756388 /nfs/dbraw/zinc/75/63/88/498756388.db2.gz ZMEBPFSWWTZUSL-GOSISDBHSA-N 2 1 355.482 3.193 20 0 FGADMP C[C@@H](C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000312681374 498760399 /nfs/dbraw/zinc/76/03/99/498760399.db2.gz KYZYYHQSKAUWKR-KSCDAYEDSA-N 2 1 365.521 3.349 20 0 FGADMP C[C@@H](C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000312681375 498761533 /nfs/dbraw/zinc/76/15/33/498761533.db2.gz KYZYYHQSKAUWKR-OSZJIOELSA-N 2 1 365.521 3.349 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000570089172 506087544 /nfs/dbraw/zinc/08/75/44/506087544.db2.gz XFIJWTAPZUMHJR-VFNWGFHPSA-N 2 1 360.461 3.245 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000316039933 498786131 /nfs/dbraw/zinc/78/61/31/498786131.db2.gz VMQVRNKDHUNTHF-UHFFFAOYSA-N 2 1 365.275 3.060 20 0 FGADMP O=C(C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1)NCc1ccc(F)cc1 ZINC000572997633 506096092 /nfs/dbraw/zinc/09/60/92/506096092.db2.gz FXTQUDCSFYIASX-IBGZPJMESA-N 2 1 361.505 3.030 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000579109524 506096420 /nfs/dbraw/zinc/09/64/20/506096420.db2.gz IBLYLCFOXRBAKH-HIFRSBDPSA-N 2 1 368.319 3.288 20 0 FGADMP C[C@@H]([NH2+]CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000333129303 498908550 /nfs/dbraw/zinc/90/85/50/498908550.db2.gz JJSOIEUPVDYPQE-CVEARBPZSA-N 2 1 354.498 3.121 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000582011512 506111811 /nfs/dbraw/zinc/11/18/11/506111811.db2.gz FSWRCYFVAJGCBH-QGZVFWFLSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513323 498960058 /nfs/dbraw/zinc/96/00/58/498960058.db2.gz LZASYROCXPNXKW-HKUYNNGSSA-N 2 1 374.529 3.075 20 0 FGADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000291489180 498962507 /nfs/dbraw/zinc/96/25/07/498962507.db2.gz GJTNAFRVZNXVMZ-BMRADRMJSA-N 2 1 367.484 3.261 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225507 506124094 /nfs/dbraw/zinc/12/40/94/506124094.db2.gz HGQZASOQARONJN-QUCCMNQESA-N 2 1 369.534 3.091 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225507 506124099 /nfs/dbraw/zinc/12/40/99/506124099.db2.gz HGQZASOQARONJN-QUCCMNQESA-N 2 1 369.534 3.091 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000576296636 506124239 /nfs/dbraw/zinc/12/42/39/506124239.db2.gz ZCDYWBMADNDOLI-ZCNNSNEGSA-N 2 1 359.558 3.369 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)C1 ZINC000576296636 506124241 /nfs/dbraw/zinc/12/42/41/506124241.db2.gz ZCDYWBMADNDOLI-ZCNNSNEGSA-N 2 1 359.558 3.369 20 0 FGADMP CCc1ccc(/C=C/C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)o1 ZINC000366686679 499032892 /nfs/dbraw/zinc/03/28/92/499032892.db2.gz ZEZWNBWYJLJEAS-VOTSOKGWSA-N 2 1 373.541 3.168 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000284227757 499071943 /nfs/dbraw/zinc/07/19/43/499071943.db2.gz UKVLVBRZCYYSGY-VJBMBRPKSA-N 2 1 366.505 3.242 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000284227757 499071944 /nfs/dbraw/zinc/07/19/44/499071944.db2.gz UKVLVBRZCYYSGY-VJBMBRPKSA-N 2 1 366.505 3.242 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366868004 499100217 /nfs/dbraw/zinc/10/02/17/499100217.db2.gz KZJOAWGMMOSOKY-KRWDZBQOSA-N 2 1 359.514 3.220 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)NCCCCCCC[NH+](C)C ZINC000364165782 499126581 /nfs/dbraw/zinc/12/65/81/499126581.db2.gz GXWAZFFFDOXQKY-GOSISDBHSA-N 2 1 363.550 3.132 20 0 FGADMP CCCn1c(C)nnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367046188 499139365 /nfs/dbraw/zinc/13/93/65/499139365.db2.gz UGUZLUUEWVZRNT-UHFFFAOYSA-N 2 1 367.541 3.485 20 0 FGADMP CCCn1c(C)nnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367046188 499139366 /nfs/dbraw/zinc/13/93/66/499139366.db2.gz UGUZLUUEWVZRNT-UHFFFAOYSA-N 2 1 367.541 3.485 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000369852760 499139412 /nfs/dbraw/zinc/13/94/12/499139412.db2.gz OMYZBEQLDZHEEJ-LRQRDZAKSA-N 2 1 372.534 3.434 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000369860152 499140968 /nfs/dbraw/zinc/14/09/68/499140968.db2.gz PKZRQXQNQRDLFK-GOSISDBHSA-N 2 1 361.534 3.068 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H]1CC[N@H+](C2CCCCCC2)C1 ZINC000369860152 499140970 /nfs/dbraw/zinc/14/09/70/499140970.db2.gz PKZRQXQNQRDLFK-GOSISDBHSA-N 2 1 361.534 3.068 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000573162633 506132793 /nfs/dbraw/zinc/13/27/93/506132793.db2.gz KFBPWOTYRMOIHN-UHFFFAOYSA-N 2 1 350.532 3.027 20 0 FGADMP Cc1oc(-c2cccs2)nc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000573162633 506132796 /nfs/dbraw/zinc/13/27/96/506132796.db2.gz KFBPWOTYRMOIHN-UHFFFAOYSA-N 2 1 350.532 3.027 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367198460 499159964 /nfs/dbraw/zinc/15/99/64/499159964.db2.gz CAPUSXDEWBOKOK-UHFFFAOYSA-N 2 1 357.498 3.026 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)C[C@H](O)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000372712801 499165202 /nfs/dbraw/zinc/16/52/02/499165202.db2.gz DKUOWTCLQFEYAY-IBGZPJMESA-N 2 1 374.916 3.381 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)C[C@H](O)c3ccc(Cl)cc3)CC2)nc(C)[nH+]1 ZINC000372712801 499165203 /nfs/dbraw/zinc/16/52/03/499165203.db2.gz DKUOWTCLQFEYAY-IBGZPJMESA-N 2 1 374.916 3.381 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000367311395 499179000 /nfs/dbraw/zinc/17/90/00/499179000.db2.gz YAEKPGWZSSQANQ-QGZVFWFLSA-N 2 1 371.525 3.138 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367311395 499179003 /nfs/dbraw/zinc/17/90/03/499179003.db2.gz YAEKPGWZSSQANQ-QGZVFWFLSA-N 2 1 371.525 3.138 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000370167802 499191547 /nfs/dbraw/zinc/19/15/47/499191547.db2.gz VAOIYOLKJKRDFU-DOTOQJQBSA-N 2 1 358.461 3.338 20 0 FGADMP CCN(C(=O)CN1CCC[C@@H](c2ncc[nH]2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000370167802 499191549 /nfs/dbraw/zinc/19/15/49/499191549.db2.gz VAOIYOLKJKRDFU-DOTOQJQBSA-N 2 1 358.461 3.338 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4n[nH]cc43)cc2)C[C@H](C)O1 ZINC000367614418 499217985 /nfs/dbraw/zinc/21/79/85/499217985.db2.gz HUDIQLYRCBYLAZ-YRNRMSPPSA-N 2 1 354.498 3.186 20 0 FGADMP Cn1cc([C@H]2[C@@H](CN[C@@H](c3ncc[nH]3)C3CCCCC3)CCC[N@H+]2C)cn1 ZINC000367617060 499218355 /nfs/dbraw/zinc/21/83/55/499218355.db2.gz PRMUQJJITLZAPI-MISYRCLQSA-N 2 1 370.545 3.437 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cc1F ZINC000370574275 499232654 /nfs/dbraw/zinc/23/26/54/499232654.db2.gz SPLLQNKLRFLOAV-LORHWOILSA-N 2 1 350.478 3.374 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615372 499235604 /nfs/dbraw/zinc/23/56/04/499235604.db2.gz CDRUWTPRRQXFFL-ZXNZYJFHSA-N 2 1 364.505 3.382 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615372 499235606 /nfs/dbraw/zinc/23/56/06/499235606.db2.gz CDRUWTPRRQXFFL-ZXNZYJFHSA-N 2 1 364.505 3.382 20 0 FGADMP O=C(NCc1cnc2n1CCCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000367947947 499248352 /nfs/dbraw/zinc/24/83/52/499248352.db2.gz OICZZRBYYIKFKU-UHFFFAOYSA-N 2 1 373.545 3.017 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000367947947 499248354 /nfs/dbraw/zinc/24/83/54/499248354.db2.gz OICZZRBYYIKFKU-UHFFFAOYSA-N 2 1 373.545 3.017 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000367947947 499248355 /nfs/dbraw/zinc/24/83/55/499248355.db2.gz OICZZRBYYIKFKU-UHFFFAOYSA-N 2 1 373.545 3.017 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000368042450 499258939 /nfs/dbraw/zinc/25/89/39/499258939.db2.gz LKMMFMPRAVQFCS-LMMKCTJWSA-N 2 1 366.509 3.033 20 0 FGADMP Cc1ccc(C)c(CC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000371094826 499288156 /nfs/dbraw/zinc/28/81/56/499288156.db2.gz RRZVBMWWCYCGHO-UHFFFAOYSA-N 2 1 371.569 3.158 20 0 FGADMP Cc1[nH+]c(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2n1CCCC2 ZINC000371278326 499305513 /nfs/dbraw/zinc/30/55/13/499305513.db2.gz YWVKRXVAHFVVPN-UHFFFAOYSA-N 2 1 366.509 3.444 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCO[C@@H]4C[C@@H]([NH+](C)C)CC[C@@H]43)cc2)n1 ZINC000371291880 499306462 /nfs/dbraw/zinc/30/64/62/499306462.db2.gz ADWJNWRLBPFBPF-FDFHNCONSA-N 2 1 368.525 3.173 20 0 FGADMP C[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371338035 499312646 /nfs/dbraw/zinc/31/26/46/499312646.db2.gz YAGGZVRWCFPFFX-UZLBHIALSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371338035 499312648 /nfs/dbraw/zinc/31/26/48/499312648.db2.gz YAGGZVRWCFPFFX-UZLBHIALSA-N 2 1 372.944 3.346 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccncn3)C2)cc1 ZINC000371486639 499333234 /nfs/dbraw/zinc/33/32/34/499333234.db2.gz YRXVUGHGHQMKJO-QFBILLFUSA-N 2 1 362.481 3.290 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000369314653 499390677 /nfs/dbraw/zinc/39/06/77/499390677.db2.gz CVAWZGKUGSNMGK-QXAKKESOSA-N 2 1 358.530 3.042 20 0 FGADMP Cc1ccc([C@@H](C)N(C)C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369363240 499395623 /nfs/dbraw/zinc/39/56/23/499395623.db2.gz KJCSAXZFWSLUCR-MOPGFXCFSA-N 2 1 372.557 3.174 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000369711511 499438376 /nfs/dbraw/zinc/43/83/76/499438376.db2.gz CSYNLJAEDXOSAY-PZJWPPBQSA-N 2 1 351.494 3.023 20 0 FGADMP Cc1cccc2c(CC[NH2+][C@@H]3CC[N@H+](C[C@@H]4CCCO4)C[C@H]3C)c[nH]c21 ZINC000378185922 499488401 /nfs/dbraw/zinc/48/84/01/499488401.db2.gz VCGNSILVAFIDIT-SLYNCCJLSA-N 2 1 355.526 3.498 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCc2c[nH+]c3n2CCCC3)c1 ZINC000375207202 499495537 /nfs/dbraw/zinc/49/55/37/499495537.db2.gz JMZBWBKIDFSEJF-UHFFFAOYSA-N 2 1 369.513 3.061 20 0 FGADMP CC(=O)N1CCCCC[C@@H]1C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000378356884 499506452 /nfs/dbraw/zinc/50/64/52/499506452.db2.gz WYODOASEALEDIW-OAQYLSRUSA-N 2 1 360.546 3.475 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2)[C@H]1c1ccccc1 ZINC000375498917 499526064 /nfs/dbraw/zinc/52/60/64/499526064.db2.gz WZFPCCKYHYQDKU-RZUBCFFCSA-N 2 1 354.494 3.099 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000389845322 499553241 /nfs/dbraw/zinc/55/32/41/499553241.db2.gz NEKWVQHRFYZBFZ-UIFIKXQLSA-N 2 1 351.494 3.103 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000392216346 499558254 /nfs/dbraw/zinc/55/82/54/499558254.db2.gz AOVNVMDXOROEEX-UHFFFAOYSA-N 2 1 361.230 3.402 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3n[nH]cc32)C[C@H](C)O1 ZINC000375890682 499565317 /nfs/dbraw/zinc/56/53/17/499565317.db2.gz SZLOHFBOTQMCSE-YRNRMSPPSA-N 2 1 354.498 3.186 20 0 FGADMP C[C@@]1(CNCc2ccc3c(c2)NC(=O)CO3)CCC[N@@H+]1Cc1ccccc1 ZINC000397978062 499565435 /nfs/dbraw/zinc/56/54/35/499565435.db2.gz LMOAJNIJMCURFK-QFIPXVFZSA-N 2 1 365.477 3.162 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000376112290 499584044 /nfs/dbraw/zinc/58/40/44/499584044.db2.gz FQCMUCGZAREDGD-RTFFYQOYSA-N 2 1 369.553 3.465 20 0 FGADMP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163285 499587739 /nfs/dbraw/zinc/58/77/39/499587739.db2.gz AUUNSHCMRKVLQM-MJGOQNOKSA-N 2 1 372.557 3.293 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000376163285 499587741 /nfs/dbraw/zinc/58/77/41/499587741.db2.gz AUUNSHCMRKVLQM-MJGOQNOKSA-N 2 1 372.557 3.293 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CCCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000409450000 499597251 /nfs/dbraw/zinc/59/72/51/499597251.db2.gz DRQKHZOWYBSOTH-UHFFFAOYSA-N 2 1 370.534 3.043 20 0 FGADMP C[C@H]1COCC[N@@H+]1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408257 506151488 /nfs/dbraw/zinc/15/14/88/506151488.db2.gz AZIVFAMEGVGJHF-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@H]1COCC[N@H+]1C1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000576408257 506151493 /nfs/dbraw/zinc/15/14/93/506151493.db2.gz AZIVFAMEGVGJHF-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000376318094 499600084 /nfs/dbraw/zinc/60/00/84/499600084.db2.gz FSEGSHPPCJDAPO-AVRDEDQJSA-N 2 1 365.521 3.437 20 0 FGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000376940219 499647987 /nfs/dbraw/zinc/64/79/87/499647987.db2.gz FVVCAOWEHRULJR-HSALFYBXSA-N 2 1 352.563 3.452 20 0 FGADMP COCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000376940222 499648126 /nfs/dbraw/zinc/64/81/26/499648126.db2.gz FVVCAOWEHRULJR-XUVXKRRUSA-N 2 1 352.563 3.452 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322901 499680001 /nfs/dbraw/zinc/68/00/01/499680001.db2.gz RMAZRRRTBCCJFB-MSOLQXFVSA-N 2 1 373.545 3.015 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322901 499680003 /nfs/dbraw/zinc/68/00/03/499680003.db2.gz RMAZRRRTBCCJFB-MSOLQXFVSA-N 2 1 373.545 3.015 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550177 499703710 /nfs/dbraw/zinc/70/37/10/499703710.db2.gz OCELXKRLEFRUBM-QKYXUNIQSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550177 499703711 /nfs/dbraw/zinc/70/37/11/499703711.db2.gz OCELXKRLEFRUBM-QKYXUNIQSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000377550177 499703712 /nfs/dbraw/zinc/70/37/12/499703712.db2.gz OCELXKRLEFRUBM-QKYXUNIQSA-N 2 1 352.482 3.232 20 0 FGADMP O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411173760 499706739 /nfs/dbraw/zinc/70/67/39/499706739.db2.gz NPPIFKFYJREEFN-QFIPXVFZSA-N 2 1 369.553 3.411 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccc(-c4cccnc4)c3)C2)CC1 ZINC000377626126 499712342 /nfs/dbraw/zinc/71/23/42/499712342.db2.gz NCZRJRXNQVPNFN-NRFANRHFSA-N 2 1 364.537 3.208 20 0 FGADMP CC(C)C(=O)N1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411219665 499712838 /nfs/dbraw/zinc/71/28/38/499712838.db2.gz QHYXNAILUIXGDP-UHFFFAOYSA-N 2 1 357.542 3.363 20 0 FGADMP CN1CCN([C@@H]2CCCC[N@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680489 499719065 /nfs/dbraw/zinc/71/90/65/499719065.db2.gz VQARIAXDSISRBN-TZIWHRDSSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680489 499719067 /nfs/dbraw/zinc/71/90/67/499719067.db2.gz VQARIAXDSISRBN-TZIWHRDSSA-N 2 1 359.583 3.119 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+]([C@@H]3CSCCc4ccccc43)C2)CC1 ZINC000377680489 499719069 /nfs/dbraw/zinc/71/90/69/499719069.db2.gz VQARIAXDSISRBN-TZIWHRDSSA-N 2 1 359.583 3.119 20 0 FGADMP Cc1cc(N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)nc(C2CC2)n1 ZINC000377735021 499726294 /nfs/dbraw/zinc/72/62/94/499726294.db2.gz SDWWFXBUSVGECB-UHFFFAOYSA-N 2 1 354.502 3.152 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000377769201 499730896 /nfs/dbraw/zinc/73/08/96/499730896.db2.gz ATIDDVDBYNIXMJ-SFHVURJKSA-N 2 1 370.522 3.256 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000377769875 499731286 /nfs/dbraw/zinc/73/12/86/499731286.db2.gz OUGSQCFCMQSCIX-HXUWFJFHSA-N 2 1 366.509 3.131 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)CC1 ZINC000377769875 499731288 /nfs/dbraw/zinc/73/12/88/499731288.db2.gz OUGSQCFCMQSCIX-HXUWFJFHSA-N 2 1 366.509 3.131 20 0 FGADMP c1cn(Cc2ccccc2)c(Cc2noc([C@H]3CCCc4[nH+]ccn43)n2)n1 ZINC000377788525 499733430 /nfs/dbraw/zinc/73/34/30/499733430.db2.gz XCVFUUZXIUKNPV-MRXNPFEDSA-N 2 1 360.421 3.027 20 0 FGADMP CO[C@@H]1CC[C@@H]2OCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000411403004 499735447 /nfs/dbraw/zinc/73/54/47/499735447.db2.gz ADJRPPPZWDGWLC-VSKRKVRLSA-N 2 1 358.526 3.441 20 0 FGADMP CO[C@@H]1CC[C@@H]2OCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000411403004 499735449 /nfs/dbraw/zinc/73/54/49/499735449.db2.gz ADJRPPPZWDGWLC-VSKRKVRLSA-N 2 1 358.526 3.441 20 0 FGADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000411409638 499736480 /nfs/dbraw/zinc/73/64/80/499736480.db2.gz UCKQYLURBWOTDN-BHIFYINESA-N 2 1 358.526 3.441 20 0 FGADMP O=C1C[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)CN1 ZINC000411411063 499736794 /nfs/dbraw/zinc/73/67/94/499736794.db2.gz FOYGWELRLGAZAN-SFTDATJTSA-N 2 1 355.526 3.163 20 0 FGADMP FC(F)CN1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411426598 499739099 /nfs/dbraw/zinc/73/90/99/499739099.db2.gz NVCTZXIHGGSMMD-UHFFFAOYSA-N 2 1 351.485 3.445 20 0 FGADMP C[C@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000377870040 499743756 /nfs/dbraw/zinc/74/37/56/499743756.db2.gz SADVVSVNHCEZSP-PXNSSMCTSA-N 2 1 374.960 3.253 20 0 FGADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@]2(CCOC2)O1 ZINC000411660156 499774328 /nfs/dbraw/zinc/77/43/28/499774328.db2.gz AGKDRDQOJQZWHP-FGZHOGPDSA-N 2 1 358.526 3.442 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000411747466 499786047 /nfs/dbraw/zinc/78/60/47/499786047.db2.gz QCPRGRVKOLVUEQ-CVEARBPZSA-N 2 1 363.468 3.028 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000411747466 499786048 /nfs/dbraw/zinc/78/60/48/499786048.db2.gz QCPRGRVKOLVUEQ-CVEARBPZSA-N 2 1 363.468 3.028 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414529076 499803489 /nfs/dbraw/zinc/80/34/89/499803489.db2.gz PKZQANMJCDKJRM-GXRSIYKFSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H]1CCO[C@H](CC)C1 ZINC000414529076 499803490 /nfs/dbraw/zinc/80/34/90/499803490.db2.gz PKZQANMJCDKJRM-GXRSIYKFSA-N 2 1 360.542 3.318 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)C ZINC000411986584 499810029 /nfs/dbraw/zinc/81/00/29/499810029.db2.gz PPIGSJUAHFCDLQ-ZWKOTPCHSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000411986584 499810030 /nfs/dbraw/zinc/81/00/30/499810030.db2.gz PPIGSJUAHFCDLQ-ZWKOTPCHSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[NH+](CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC000411986584 499810032 /nfs/dbraw/zinc/81/00/32/499810032.db2.gz PPIGSJUAHFCDLQ-ZWKOTPCHSA-N 2 1 366.571 3.343 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000414706109 499821424 /nfs/dbraw/zinc/82/14/24/499821424.db2.gz OLAAOGFVUVIEPW-QFBILLFUSA-N 2 1 363.933 3.454 20 0 FGADMP CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414741563 499825545 /nfs/dbraw/zinc/82/55/45/499825545.db2.gz RZSJIGLSIXPIDI-QWHCGFSZSA-N 2 1 357.420 3.143 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(SC)cc1OC ZINC000414777865 499829932 /nfs/dbraw/zinc/82/99/32/499829932.db2.gz INXVTPIHTLAQMO-CABCVRRESA-N 2 1 350.528 3.247 20 0 FGADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)c(Br)c1 ZINC000414789692 499831258 /nfs/dbraw/zinc/83/12/58/499831258.db2.gz FSTDNYVTFKFWAO-LBPRGKRZSA-N 2 1 350.098 3.285 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC000412188531 499832184 /nfs/dbraw/zinc/83/21/84/499832184.db2.gz BUWCHJMACUUAER-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc3)nc12 ZINC000414800645 499832515 /nfs/dbraw/zinc/83/25/15/499832515.db2.gz SJSQEHIJCUNBHT-HXUWFJFHSA-N 2 1 352.482 3.295 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414896443 499842771 /nfs/dbraw/zinc/84/27/71/499842771.db2.gz BUDRJWDWRGBWHK-QAPCUYQASA-N 2 1 355.486 3.317 20 0 FGADMP Clc1cc(I)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414905795 499843673 /nfs/dbraw/zinc/84/36/73/499843673.db2.gz AGSKEBKSMXWPRH-GFCCVEGCSA-N 2 1 364.658 3.176 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(Br)c1OC ZINC000414957222 499848678 /nfs/dbraw/zinc/84/86/78/499848678.db2.gz VXMNHWPAYONEOD-WCQYABFASA-N 2 1 357.292 3.087 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](C[C@H]3CCC[NH2+]C3)C4)n2)cc1 ZINC000415102872 499864061 /nfs/dbraw/zinc/86/40/61/499864061.db2.gz JGRCYEHXBSPXFN-YRISNDGFSA-N 2 1 352.482 3.090 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(Br)c(F)c2)CC1 ZINC000415112923 499865474 /nfs/dbraw/zinc/86/54/74/499865474.db2.gz SUQIRHLGEOLPQQ-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000415116605 499865756 /nfs/dbraw/zinc/86/57/56/499865756.db2.gz BRKFZIXOBXFARS-NVXWUHKLSA-N 2 1 371.294 3.307 20 0 FGADMP CC(C)c1ncc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000415126906 499867103 /nfs/dbraw/zinc/86/71/03/499867103.db2.gz HHDQWQGSZKJYKZ-UHFFFAOYSA-N 2 1 358.555 3.350 20 0 FGADMP O=C1CCCN1C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415129054 499867696 /nfs/dbraw/zinc/86/76/96/499867696.db2.gz YIKMHPXAKXVFON-IAGOWNOFSA-N 2 1 369.431 3.101 20 0 FGADMP COc1cc2[nH+]ccc(N3CCN(c4cc(C)cc[nH+]4)CC3)c2cc1OC ZINC000413192002 499925036 /nfs/dbraw/zinc/92/50/36/499925036.db2.gz DVGWVEWOVOMWAO-UHFFFAOYSA-N 2 1 364.449 3.282 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000415913615 499927523 /nfs/dbraw/zinc/92/75/23/499927523.db2.gz PYVKIOFXLMRUCM-IBGZPJMESA-N 2 1 352.482 3.192 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)c1 ZINC000415931045 499929866 /nfs/dbraw/zinc/92/98/66/499929866.db2.gz LFPPUUXMLSATFY-OXQOHEQNSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000415938117 499930713 /nfs/dbraw/zinc/93/07/13/499930713.db2.gz YFOFHBFCHBQXTQ-UHFFFAOYSA-N 2 1 370.472 3.285 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1 ZINC000415938117 499930715 /nfs/dbraw/zinc/93/07/15/499930715.db2.gz YFOFHBFCHBQXTQ-UHFFFAOYSA-N 2 1 370.472 3.285 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246784 499931947 /nfs/dbraw/zinc/93/19/47/499931947.db2.gz HPRQISUCFVJORH-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246784 499931948 /nfs/dbraw/zinc/93/19/48/499931948.db2.gz HPRQISUCFVJORH-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246784 499931950 /nfs/dbraw/zinc/93/19/50/499931950.db2.gz HPRQISUCFVJORH-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246784 499931952 /nfs/dbraw/zinc/93/19/52/499931952.db2.gz HPRQISUCFVJORH-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246782 499932034 /nfs/dbraw/zinc/93/20/34/499932034.db2.gz HPRQISUCFVJORH-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246782 499932036 /nfs/dbraw/zinc/93/20/36/499932036.db2.gz HPRQISUCFVJORH-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246782 499932037 /nfs/dbraw/zinc/93/20/37/499932037.db2.gz HPRQISUCFVJORH-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000413246782 499932039 /nfs/dbraw/zinc/93/20/39/499932039.db2.gz HPRQISUCFVJORH-PZJWPPBQSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415961932 499934006 /nfs/dbraw/zinc/93/40/06/499934006.db2.gz SAUPBAFCJCUMMS-HXUWFJFHSA-N 2 1 352.482 3.274 20 0 FGADMP C[C@@H](CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000415966375 499934690 /nfs/dbraw/zinc/93/46/90/499934690.db2.gz GLIUUOQXCIBIAA-OLZOCXBDSA-N 2 1 372.435 3.406 20 0 FGADMP CC1(C)CN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415966663 499934933 /nfs/dbraw/zinc/93/49/33/499934933.db2.gz ARPYCUIVYGINPK-UHFFFAOYSA-N 2 1 352.482 3.274 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000416001823 499939947 /nfs/dbraw/zinc/93/99/47/499939947.db2.gz CKLGDHXEAVKMLW-UHFFFAOYSA-N 2 1 350.466 3.030 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417045976 499957394 /nfs/dbraw/zinc/95/73/94/499957394.db2.gz YXUCCIRVIJKHJY-NSHGMRRFSA-N 2 1 360.546 3.134 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000416177572 499969741 /nfs/dbraw/zinc/96/97/41/499969741.db2.gz GEHNQAVOBFLFDH-SJBKTWHCSA-N 2 1 351.494 3.241 20 0 FGADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000428970218 499971109 /nfs/dbraw/zinc/97/11/09/499971109.db2.gz XSEBRIBWUWCXDT-QWFCFKBJSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@@H](NC(=O)CC[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000416189164 499974224 /nfs/dbraw/zinc/97/42/24/499974224.db2.gz ACUNMJUDLDBMRT-QUCCMNQESA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000416189164 499974231 /nfs/dbraw/zinc/97/42/31/499974231.db2.gz ACUNMJUDLDBMRT-QUCCMNQESA-N 2 1 369.553 3.204 20 0 FGADMP C[C@@H](NC(=O)CC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416189164 499974236 /nfs/dbraw/zinc/97/42/36/499974236.db2.gz ACUNMJUDLDBMRT-QUCCMNQESA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201215 499979100 /nfs/dbraw/zinc/97/91/00/499979100.db2.gz RKAWZEHNVOGROD-FBBABVLZSA-N 2 1 357.542 3.449 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624262 500006047 /nfs/dbraw/zinc/00/60/47/500006047.db2.gz JHTGGKIOHBIURA-LEWJYISDSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000417375294 500052835 /nfs/dbraw/zinc/05/28/35/500052835.db2.gz BVCZPQIOSGCIFD-UYAOXDASSA-N 2 1 360.542 3.197 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C2(O)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000417375294 500052838 /nfs/dbraw/zinc/05/28/38/500052838.db2.gz BVCZPQIOSGCIFD-UYAOXDASSA-N 2 1 360.542 3.197 20 0 FGADMP CN(CC(C)(C)C[NH3+])C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000429508073 500090259 /nfs/dbraw/zinc/09/02/59/500090259.db2.gz FREILVHLRKKRLV-UHFFFAOYSA-N 2 1 353.510 3.376 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000417587094 500118902 /nfs/dbraw/zinc/11/89/02/500118902.db2.gz NMXBFGLSMTYBPZ-IAGOWNOFSA-N 2 1 354.498 3.026 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000421704094 500122561 /nfs/dbraw/zinc/12/25/61/500122561.db2.gz NTSODPZFQHYKQV-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000421704094 500122566 /nfs/dbraw/zinc/12/25/66/500122566.db2.gz NTSODPZFQHYKQV-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000421704094 500122570 /nfs/dbraw/zinc/12/25/70/500122570.db2.gz NTSODPZFQHYKQV-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000429683800 500123225 /nfs/dbraw/zinc/12/32/25/500123225.db2.gz LWRQBNUSCMFSJZ-NRFANRHFSA-N 2 1 351.494 3.141 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2cccc3ccccc32)CC1 ZINC000429683800 500123226 /nfs/dbraw/zinc/12/32/26/500123226.db2.gz LWRQBNUSCMFSJZ-NRFANRHFSA-N 2 1 351.494 3.141 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)cn1 ZINC000414109953 500155583 /nfs/dbraw/zinc/15/55/83/500155583.db2.gz HVQWDZHVDJPMDW-KRWDZBQOSA-N 2 1 361.530 3.034 20 0 FGADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421834322 500162083 /nfs/dbraw/zinc/16/20/83/500162083.db2.gz CAVLPCSZRIBLCY-NQIIRXRSSA-N 2 1 360.542 3.471 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300443 506180342 /nfs/dbraw/zinc/18/03/42/506180342.db2.gz GLFKJPGDBOVIIA-WOJBJXKFSA-N 2 1 373.516 3.027 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000582300443 506180346 /nfs/dbraw/zinc/18/03/46/506180346.db2.gz GLFKJPGDBOVIIA-WOJBJXKFSA-N 2 1 373.516 3.027 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000416975932 500172782 /nfs/dbraw/zinc/17/27/82/500172782.db2.gz NMNOHZHDSVKNOG-LAUBAEHRSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416979441 500173847 /nfs/dbraw/zinc/17/38/47/500173847.db2.gz SKVNALGZVHXJEC-BBTUJRGHSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CC[N@@H+]1C ZINC000425668942 500175338 /nfs/dbraw/zinc/17/53/38/500175338.db2.gz BEFPOUCEICCDSE-CVEARBPZSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCN1C ZINC000425668942 500175339 /nfs/dbraw/zinc/17/53/39/500175339.db2.gz BEFPOUCEICCDSE-CVEARBPZSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425674569 500177857 /nfs/dbraw/zinc/17/78/57/500177857.db2.gz PFDUWHAMKNPQOH-INIZCTEOSA-N 2 1 367.497 3.444 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417828972 500179962 /nfs/dbraw/zinc/17/99/62/500179962.db2.gz QVXNVHONTSTBEM-UIFIKXQLSA-N 2 1 372.557 3.104 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC[NH2+]CC1 ZINC000417833826 500180313 /nfs/dbraw/zinc/18/03/13/500180313.db2.gz UWGMTOLRNMWWAW-WIYYLYMNSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000417850386 500183714 /nfs/dbraw/zinc/18/37/14/500183714.db2.gz FANQKBGQGRIFQZ-MGPUTAFESA-N 2 1 369.513 3.449 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000417852490 500184276 /nfs/dbraw/zinc/18/42/76/500184276.db2.gz ZKTRXQMRZQHTIC-XCJLJZCSSA-N 2 1 372.557 3.104 20 0 FGADMP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000417859738 500185782 /nfs/dbraw/zinc/18/57/82/500185782.db2.gz SNZZBSZXCDYALR-HNAYVOBHSA-N 2 1 355.486 3.025 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000417927770 500199602 /nfs/dbraw/zinc/19/96/02/500199602.db2.gz QLFMTSCDDJXAEK-LMNJBCLMSA-N 2 1 372.557 3.104 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430150924 500200501 /nfs/dbraw/zinc/20/05/01/500200501.db2.gz QVMHNYGCOZXNAK-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)o1 ZINC000430150924 500200503 /nfs/dbraw/zinc/20/05/03/500200503.db2.gz QVMHNYGCOZXNAK-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@@H](CC[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417935038 500200537 /nfs/dbraw/zinc/20/05/37/500200537.db2.gz ZCSRNPKFAZLJKB-GIVPXCGWSA-N 2 1 372.557 3.058 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)o1 ZINC000430150924 500200505 /nfs/dbraw/zinc/20/05/05/500200505.db2.gz QVMHNYGCOZXNAK-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)o1 ZINC000430150924 500200507 /nfs/dbraw/zinc/20/05/07/500200507.db2.gz QVMHNYGCOZXNAK-OAQYLSRUSA-N 2 1 354.450 3.261 20 0 FGADMP C[C@H](NC(=O)N[C@H](C[NH3+])C1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417984005 500209177 /nfs/dbraw/zinc/20/91/77/500209177.db2.gz CCFIKUODZPJMSJ-DZFGPLHGSA-N 2 1 372.557 3.104 20 0 FGADMP C[N@H+](CCCc1cccc(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941321 500215221 /nfs/dbraw/zinc/21/52/21/500215221.db2.gz JSOJBNAADMRREK-QFIPXVFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[N@@H+](CCCc1cccc(F)c1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425941321 500215222 /nfs/dbraw/zinc/21/52/22/500215222.db2.gz JSOJBNAADMRREK-QFIPXVFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[NH+](CCCc1cccc(F)c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425941321 500215226 /nfs/dbraw/zinc/21/52/26/500215226.db2.gz JSOJBNAADMRREK-QFIPXVFZSA-N 2 1 356.485 3.327 20 0 FGADMP C[NH+](CCCc1cccc(F)c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425941321 500215228 /nfs/dbraw/zinc/21/52/28/500215228.db2.gz JSOJBNAADMRREK-QFIPXVFZSA-N 2 1 356.485 3.327 20 0 FGADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000425981814 500221275 /nfs/dbraw/zinc/22/12/75/500221275.db2.gz SLDYYRZTYQHTLA-YADHBBJMSA-N 2 1 354.469 3.382 20 0 FGADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCc2ccc(F)cc21 ZINC000425981814 500221278 /nfs/dbraw/zinc/22/12/78/500221278.db2.gz SLDYYRZTYQHTLA-YADHBBJMSA-N 2 1 354.469 3.382 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3COc4ccccc4C3)CC2)oc1C ZINC000573378680 506183802 /nfs/dbraw/zinc/18/38/02/506183802.db2.gz SDFBNTZDCKKEII-IBGZPJMESA-N 2 1 355.482 3.097 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418161112 500239723 /nfs/dbraw/zinc/23/97/23/500239723.db2.gz SNEFANTYKOIWJC-MOPGFXCFSA-N 2 1 360.546 3.104 20 0 FGADMP C[N@@H+](CCC(=O)N[C@@H](c1cccs1)c1ccccc1)CC(C)(C)C[NH3+] ZINC000430560092 500255001 /nfs/dbraw/zinc/25/50/01/500255001.db2.gz YZLCXNWLOBQTDJ-LJQANCHMSA-N 2 1 359.539 3.261 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1Br ZINC000430576605 500257194 /nfs/dbraw/zinc/25/71/94/500257194.db2.gz SJBMYPKIKJJGDK-AWEZNQCLSA-N 2 1 356.308 3.083 20 0 FGADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430577545 500257292 /nfs/dbraw/zinc/25/72/92/500257292.db2.gz OBKHPVGNQQSXIZ-CYBMUJFWSA-N 2 1 364.877 3.281 20 0 FGADMP C[N@@H+](CCCCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1CC1 ZINC000418271373 500257975 /nfs/dbraw/zinc/25/79/75/500257975.db2.gz SZCUZURUPMZRKK-FQEVSTJZSA-N 2 1 354.498 3.013 20 0 FGADMP [NH3+]CCCOC1CC[NH+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430579412 500258076 /nfs/dbraw/zinc/25/80/76/500258076.db2.gz GFKCERKWKOVUIF-OAQYLSRUSA-N 2 1 367.493 3.196 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(OCC[N@@H+]3CC[C@H](C)C3)cc2)cc1 ZINC000430606488 500261696 /nfs/dbraw/zinc/26/16/96/500261696.db2.gz VYRDHVFRYKJRTR-UWJYYQICSA-N 2 1 367.493 3.354 20 0 FGADMP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418338133 500264885 /nfs/dbraw/zinc/26/48/85/500264885.db2.gz JQBWIWQULIYJMC-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000418354365 500267464 /nfs/dbraw/zinc/26/74/64/500267464.db2.gz OJEXOULQWFLONP-PMACEKPBSA-N 2 1 360.546 3.326 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418355011 500267585 /nfs/dbraw/zinc/26/75/85/500267585.db2.gz FJGADPTVKXTTNO-FPOVZHCZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418407835 500273169 /nfs/dbraw/zinc/27/31/69/500273169.db2.gz MDCVTXZCUDKRMQ-GFOJFJKKSA-N 2 1 372.557 3.198 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OCc1ccncc1 ZINC000422562037 500274738 /nfs/dbraw/zinc/27/47/38/500274738.db2.gz PBFILSZGJCCQDB-QKLQHJQFSA-N 2 1 369.509 3.474 20 0 FGADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000422564872 500275216 /nfs/dbraw/zinc/27/52/16/500275216.db2.gz WWBYRHNLGNNDAV-HLIPFELVSA-N 2 1 369.509 3.474 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418431027 500276130 /nfs/dbraw/zinc/27/61/30/500276130.db2.gz WBFZKQFPLZVEKB-NJDAHSKKSA-N 2 1 372.557 3.056 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000430754737 500279747 /nfs/dbraw/zinc/27/97/47/500279747.db2.gz NFDLILWUAAVMQZ-PGRDOPGGSA-N 2 1 365.521 3.420 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418486909 500282546 /nfs/dbraw/zinc/28/25/46/500282546.db2.gz IZTWWVLFJWBPCD-MRXNPFEDSA-N 2 1 368.481 3.163 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840638 500295157 /nfs/dbraw/zinc/29/51/57/500295157.db2.gz SZUOIWFMZPFWBF-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430840638 500295159 /nfs/dbraw/zinc/29/51/59/500295159.db2.gz SZUOIWFMZPFWBF-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840638 500295161 /nfs/dbraw/zinc/29/51/61/500295161.db2.gz SZUOIWFMZPFWBF-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000430840638 500295163 /nfs/dbraw/zinc/29/51/63/500295163.db2.gz SZUOIWFMZPFWBF-SBHAEUEKSA-N 2 1 357.542 3.372 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418602542 500296141 /nfs/dbraw/zinc/29/61/41/500296141.db2.gz VUOBBTZYDYXNML-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1)CC(C)C ZINC000418641505 500299151 /nfs/dbraw/zinc/29/91/51/500299151.db2.gz NLMGSQFSTWCYGX-UHFFFAOYSA-N 2 1 364.578 3.086 20 0 FGADMP C[C@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCN1 ZINC000422820315 500301695 /nfs/dbraw/zinc/30/16/95/500301695.db2.gz PXEMRNALSKGRFO-SIKLNZKXSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@H](NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422820315 500301699 /nfs/dbraw/zinc/30/16/99/500301699.db2.gz PXEMRNALSKGRFO-SIKLNZKXSA-N 2 1 359.558 3.178 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422831666 500303573 /nfs/dbraw/zinc/30/35/73/500303573.db2.gz XBSNSVIBDBTABB-PCCBWWKXSA-N 2 1 374.525 3.263 20 0 FGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422837641 500304355 /nfs/dbraw/zinc/30/43/55/500304355.db2.gz MQTFMTLELFSHGW-GHTZIAJQSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418669300 500304759 /nfs/dbraw/zinc/30/47/59/500304759.db2.gz HYUWILFBGYZNBB-UGKGYDQZSA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422867320 500307516 /nfs/dbraw/zinc/30/75/16/500307516.db2.gz SDMZFBONKYUCHY-UWJYYQICSA-N 2 1 360.546 3.373 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1)CC1CC1 ZINC000418721216 500312250 /nfs/dbraw/zinc/31/22/50/500312250.db2.gz MAGFFIMCTNXGAZ-UXHICEINSA-N 2 1 364.578 3.048 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000430952367 500312369 /nfs/dbraw/zinc/31/23/69/500312369.db2.gz PQXTWPBODVEQGS-SECBINFHSA-N 2 1 371.304 3.120 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422895623 500312549 /nfs/dbraw/zinc/31/25/49/500312549.db2.gz WJPBAXPNNCMMOU-QHAWAJNXSA-N 2 1 359.558 3.418 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])CC2)cs1 ZINC000422916091 500316133 /nfs/dbraw/zinc/31/61/33/500316133.db2.gz ZXVHSWMTJRILSK-SJLPKXTDSA-N 3 1 350.576 3.025 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014523 500323359 /nfs/dbraw/zinc/32/33/59/500323359.db2.gz KAZQZVHGNYBZCP-MSOLQXFVSA-N 2 1 373.541 3.372 20 0 FGADMP COc1ccc([C@H](CN[C@H](C)C[C@H]2CCCCC[NH2+]2)[NH+](C)C)cc1OC ZINC000422985485 500327270 /nfs/dbraw/zinc/32/72/70/500327270.db2.gz FAQYCUQZTIEJOE-QRQLOZEOSA-N 2 1 363.546 3.207 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000422990739 500327758 /nfs/dbraw/zinc/32/77/58/500327758.db2.gz OPGNTUYBZJULIA-XYPHTWIQSA-N 2 1 355.320 3.383 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422988641 500328020 /nfs/dbraw/zinc/32/80/20/500328020.db2.gz JPDOUFZPWSATSD-OLZOCXBDSA-N 2 1 353.388 3.015 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]C3CCC(C[NH3+])CC3)cc2)C[C@H]1C ZINC000423012275 500331194 /nfs/dbraw/zinc/33/11/94/500331194.db2.gz CRSQRVBLGXNPAB-IVCWUUCSSA-N 3 1 373.585 3.303 20 0 FGADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000431068900 500331265 /nfs/dbraw/zinc/33/12/65/500331265.db2.gz USDWQYUVCYSGOO-GJZGRUSLSA-N 2 1 350.507 3.213 20 0 FGADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000431068900 500331266 /nfs/dbraw/zinc/33/12/66/500331266.db2.gz USDWQYUVCYSGOO-GJZGRUSLSA-N 2 1 350.507 3.213 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)cc2)C[C@H]1C ZINC000423019165 500331776 /nfs/dbraw/zinc/33/17/76/500331776.db2.gz UHLKEWFKEZGZGY-XFGYDDDFSA-N 3 1 373.585 3.173 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000423039255 500334380 /nfs/dbraw/zinc/33/43/80/500334380.db2.gz FFRWYGNJTIHVRD-JFIYKMOQSA-N 2 1 356.514 3.440 20 0 FGADMP Cc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075551 500339497 /nfs/dbraw/zinc/33/94/97/500339497.db2.gz XIGYMZUEKKJFSU-KXBFYZLASA-N 2 1 369.900 3.277 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(I)cc1Cl ZINC000423104788 500342969 /nfs/dbraw/zinc/34/29/69/500342969.db2.gz YPGDUTLYSAIWGT-IUCAKERBSA-N 2 1 352.647 3.160 20 0 FGADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423124847 500345128 /nfs/dbraw/zinc/34/51/28/500345128.db2.gz MTTFNPRCANVXAC-LNWOYWOMSA-N 2 1 354.425 3.493 20 0 FGADMP CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(C)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423161355 500349681 /nfs/dbraw/zinc/34/96/81/500349681.db2.gz NMZQNLIKPHFGQQ-NXHRZFHOSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)[C@@H]1CCCC[NH2+]1 ZINC000423158743 500349759 /nfs/dbraw/zinc/34/97/59/500349759.db2.gz XDYNSIKSKMGUNH-JOQOYGCGSA-N 2 1 360.452 3.263 20 0 FGADMP FC(F)(F)c1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000423161490 500350072 /nfs/dbraw/zinc/35/00/72/500350072.db2.gz RZRRKDWKCVTXDO-QAPCUYQASA-N 2 1 363.383 3.446 20 0 FGADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423192194 500353465 /nfs/dbraw/zinc/35/34/65/500353465.db2.gz UQXVKOHZBNXOQL-OAHLLOKOSA-N 2 1 352.482 3.142 20 0 FGADMP C[C@@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192421 500353490 /nfs/dbraw/zinc/35/34/90/500353490.db2.gz VGWQZPNBDNULGP-DENIHFKCSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@@H]([NH2+]CCCNCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192421 500353492 /nfs/dbraw/zinc/35/34/92/500353492.db2.gz VGWQZPNBDNULGP-DENIHFKCSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@@H]([NH2+]CCCNCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192421 500353493 /nfs/dbraw/zinc/35/34/93/500353493.db2.gz VGWQZPNBDNULGP-DENIHFKCSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@H](NCCC[NH2+]Cc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192426 500354026 /nfs/dbraw/zinc/35/40/26/500354026.db2.gz VGWQZPNBDNULGP-UGKGYDQZSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@H]([NH2+]CCCNCc1cccnc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192426 500354027 /nfs/dbraw/zinc/35/40/27/500354027.db2.gz VGWQZPNBDNULGP-UGKGYDQZSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@H]([NH2+]CCCNCc1cccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192426 500354028 /nfs/dbraw/zinc/35/40/28/500354028.db2.gz VGWQZPNBDNULGP-UGKGYDQZSA-N 2 1 352.526 3.062 20 0 FGADMP CC[N@@H+]1CCc2nc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)sc2C1 ZINC000423294887 500362747 /nfs/dbraw/zinc/36/27/47/500362747.db2.gz DBXWNYKRDOXTMV-MRXNPFEDSA-N 2 1 358.511 3.186 20 0 FGADMP CC[N@H+]1CCc2nc(NC(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)sc2C1 ZINC000423294887 500362750 /nfs/dbraw/zinc/36/27/50/500362750.db2.gz DBXWNYKRDOXTMV-MRXNPFEDSA-N 2 1 358.511 3.186 20 0 FGADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423314769 500363466 /nfs/dbraw/zinc/36/34/66/500363466.db2.gz HRRHUIKZNRWAQX-YWZLYKJASA-N 2 1 350.466 3.301 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000431339881 500365871 /nfs/dbraw/zinc/36/58/71/500365871.db2.gz ZNQKEQHFLXTTTF-XLIONFOSSA-N 2 1 373.541 3.201 20 0 FGADMP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000431339881 500365875 /nfs/dbraw/zinc/36/58/75/500365875.db2.gz ZNQKEQHFLXTTTF-XLIONFOSSA-N 2 1 373.541 3.201 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423421784 500373585 /nfs/dbraw/zinc/37/35/85/500373585.db2.gz BAUAEZGUJKIVAE-IACLWVNRSA-N 3 1 353.554 3.265 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427280838 500377579 /nfs/dbraw/zinc/37/75/79/500377579.db2.gz MDTMRODQUVUFOT-WIYYLYMNSA-N 2 1 371.569 3.355 20 0 FGADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423519758 500381862 /nfs/dbraw/zinc/38/18/62/500381862.db2.gz QLVDQDVLRZDSTA-GRERDSQWSA-N 2 1 357.542 3.323 20 0 FGADMP CC1(C)[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C[C@@H]1OCc1ccccc1 ZINC000423521783 500381946 /nfs/dbraw/zinc/38/19/46/500381946.db2.gz TVFMLTOLUPJDQE-XABBQPORSA-N 2 1 371.569 3.176 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423549983 500384433 /nfs/dbraw/zinc/38/44/33/500384433.db2.gz NNLHJZWNWGGFIB-PCEJQYDGSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423549983 500384434 /nfs/dbraw/zinc/38/44/34/500384434.db2.gz NNLHJZWNWGGFIB-PCEJQYDGSA-N 2 1 353.554 3.407 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)[C@@H]1c1ccccc1 ZINC000570546044 506192443 /nfs/dbraw/zinc/19/24/43/506192443.db2.gz VILJNXOFARXORG-ICSRJNTNSA-N 2 1 368.456 3.038 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@@H](C[NH3+])C1 ZINC000423668214 500393125 /nfs/dbraw/zinc/39/31/25/500393125.db2.gz POEURMUHTLAZCH-BPQIPLTHSA-N 2 1 358.530 3.079 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000431621261 500399525 /nfs/dbraw/zinc/39/95/25/500399525.db2.gz LPUPFFBWOMWAFP-QFIPXVFZSA-N 2 1 365.521 3.414 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000423775575 500400975 /nfs/dbraw/zinc/40/09/75/500400975.db2.gz MJUPIAKBWXHONP-QZTJIDSGSA-N 2 1 351.494 3.443 20 0 FGADMP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423811459 500403971 /nfs/dbraw/zinc/40/39/71/500403971.db2.gz PLPNZTUHGUOOMF-MRXNPFEDSA-N 2 1 358.313 3.201 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000431668732 500406278 /nfs/dbraw/zinc/40/62/78/500406278.db2.gz AWQMKUGNKOARGE-NWJVMNJYSA-N 2 1 364.578 3.202 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000431668729 500406337 /nfs/dbraw/zinc/40/63/37/500406337.db2.gz AWQMKUGNKOARGE-BGVWBIDGSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000427598039 500410056 /nfs/dbraw/zinc/41/00/56/500410056.db2.gz AUMSTUHIVSQCAA-LAUBAEHRSA-N 2 1 351.494 3.046 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000423939065 500421273 /nfs/dbraw/zinc/42/12/73/500421273.db2.gz LKMNHKGBKIRWNO-NHCUHLMSSA-N 2 1 351.494 3.030 20 0 FGADMP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)ccc1F ZINC000431767941 500421760 /nfs/dbraw/zinc/42/17/60/500421760.db2.gz HYLQZYQVBCKFSU-HXUWFJFHSA-N 2 1 361.505 3.301 20 0 FGADMP C[NH2+]CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000420299712 500436640 /nfs/dbraw/zinc/43/66/40/500436640.db2.gz UGTPGNFHLAPRBI-INIZCTEOSA-N 2 1 356.297 3.030 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccc2)[C@@H](CO)C(C)C)cc1 ZINC000420297913 500437043 /nfs/dbraw/zinc/43/70/43/500437043.db2.gz GNZGOYJDCKGPST-UNMCSNQZSA-N 2 1 356.510 3.257 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cc(OC)c(OC)cc2C)cc1 ZINC000420301794 500437560 /nfs/dbraw/zinc/43/75/60/500437560.db2.gz JEWYWUZMOHXZJQ-SFHVURJKSA-N 2 1 358.482 3.195 20 0 FGADMP Ic1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1 ZINC000420312405 500439047 /nfs/dbraw/zinc/43/90/47/500439047.db2.gz WXWXNHIHEHGRAH-CJNGLKHVSA-N 2 1 370.278 3.428 20 0 FGADMP COc1cc(-c2noc(C[N@H+](CCC[NH3+])CC3CCCC3)n2)ccc1C ZINC000420319597 500441149 /nfs/dbraw/zinc/44/11/49/500441149.db2.gz RSSQWKBFOYNNMY-UHFFFAOYSA-N 2 1 358.486 3.395 20 0 FGADMP COc1cc(-c2noc(C[N@@H+](CCC[NH3+])CC3CCCC3)n2)ccc1C ZINC000420319597 500441151 /nfs/dbraw/zinc/44/11/51/500441151.db2.gz RSSQWKBFOYNNMY-UHFFFAOYSA-N 2 1 358.486 3.395 20 0 FGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420324153 500441496 /nfs/dbraw/zinc/44/14/96/500441496.db2.gz GTRKEDXINFFDQM-JKSUJKDBSA-N 2 1 356.466 3.431 20 0 FGADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323698 500441965 /nfs/dbraw/zinc/44/19/65/500441965.db2.gz GTRKEDXINFFDQM-HOTGVXAUSA-N 2 1 356.466 3.431 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420330700 500442419 /nfs/dbraw/zinc/44/24/19/500442419.db2.gz BFNSSTIAHRCJBB-CABCVRRESA-N 2 1 353.304 3.149 20 0 FGADMP Brc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328482 500442710 /nfs/dbraw/zinc/44/27/10/500442710.db2.gz ZOMPNQJZNVYGQG-PBHICJAKSA-N 2 1 353.304 3.212 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330204 500442770 /nfs/dbraw/zinc/44/27/70/500442770.db2.gz AKGBLKJTCXKPLK-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330204 500442774 /nfs/dbraw/zinc/44/27/74/500442774.db2.gz AKGBLKJTCXKPLK-OLZOCXBDSA-N 2 1 356.297 3.253 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccc(C(C)=O)cc3CC2)cc1 ZINC000420369394 500449464 /nfs/dbraw/zinc/44/94/64/500449464.db2.gz IVLUZHQZRYNWTD-NRFANRHFSA-N 2 1 352.478 3.041 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385049 500452262 /nfs/dbraw/zinc/45/22/62/500452262.db2.gz FCRPQFNNFRWVGZ-PCCBWWKXSA-N 2 1 357.542 3.354 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000420385049 500452263 /nfs/dbraw/zinc/45/22/63/500452263.db2.gz FCRPQFNNFRWVGZ-PCCBWWKXSA-N 2 1 357.542 3.354 20 0 FGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385267 500452276 /nfs/dbraw/zinc/45/22/76/500452276.db2.gz SQIGSVBEJNEYIG-RISCZKNCSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385267 500452277 /nfs/dbraw/zinc/45/22/77/500452277.db2.gz SQIGSVBEJNEYIG-RISCZKNCSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420385659 500452809 /nfs/dbraw/zinc/45/28/09/500452809.db2.gz UCVPEVUWTZUJSS-LVCYWYKZSA-N 2 1 365.521 3.197 20 0 FGADMP C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420385659 500452810 /nfs/dbraw/zinc/45/28/10/500452810.db2.gz UCVPEVUWTZUJSS-LVCYWYKZSA-N 2 1 365.521 3.197 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388703 500453770 /nfs/dbraw/zinc/45/37/70/500453770.db2.gz XIGGMZZGPWHWLG-SWLSCSKDSA-N 2 1 369.391 3.034 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421301 500458415 /nfs/dbraw/zinc/45/84/15/500458415.db2.gz YQJVCVWLQOALRJ-DWRORGKVSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1cccc2ccccc21 ZINC000420421301 500458417 /nfs/dbraw/zinc/45/84/17/500458417.db2.gz YQJVCVWLQOALRJ-DWRORGKVSA-N 2 1 353.510 3.322 20 0 FGADMP CC[C@H]1C[C@@H](C)C[N@H+]1CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000428206592 500481156 /nfs/dbraw/zinc/48/11/56/500481156.db2.gz LBXJCAMWVHYTNV-WBVHZDCISA-N 2 1 364.559 3.434 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccc(OC(F)(F)F)cc1)CC[NH2+]CC2 ZINC000424287019 500481735 /nfs/dbraw/zinc/48/17/35/500481735.db2.gz ICXKPZIITYBRAX-AWEZNQCLSA-N 2 1 358.404 3.428 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N[C@@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289542 500481891 /nfs/dbraw/zinc/48/18/91/500481891.db2.gz LXGSQOWSGDBSOH-AVRDEDQJSA-N 2 1 369.553 3.498 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(I)cc1)CC[NH2+]CC2 ZINC000424294454 500482647 /nfs/dbraw/zinc/48/26/47/500482647.db2.gz QLNTVPBKUUAWDP-ZDUSSCGKSA-N 2 1 370.278 3.255 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(Cl)c3c(c1)OCCCO3)CC[NH2+]CC2 ZINC000424298993 500483532 /nfs/dbraw/zinc/48/35/32/500483532.db2.gz VFRBTFJCMVHQNJ-CQSZACIVSA-N 2 1 350.890 3.465 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1cc3c(cc1Br)OCO3)CC[NH2+]CC2 ZINC000424297529 500483580 /nfs/dbraw/zinc/48/35/80/500483580.db2.gz SVDSHQSXIMVQCM-LBPRGKRZSA-N 2 1 367.287 3.142 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)C1)CC(F)(F)F ZINC000424305499 500483712 /nfs/dbraw/zinc/48/37/12/500483712.db2.gz SLRJLQNFANSHIT-ZBFHGGJFSA-N 2 1 361.427 3.074 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)COCC1CC1 ZINC000428244192 500485954 /nfs/dbraw/zinc/48/59/54/500485954.db2.gz XWZMXPFEQAJYSW-BXXSPATCSA-N 2 1 372.553 3.054 20 0 FGADMP C[N@@H+](CCN1CCc2ccccc21)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000428303968 500493739 /nfs/dbraw/zinc/49/37/39/500493739.db2.gz RYHDQSVLMJAUHG-UHFFFAOYSA-N 2 1 350.510 3.293 20 0 FGADMP CC(C)O[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)c1ccccc1 ZINC000428308967 500493994 /nfs/dbraw/zinc/49/39/94/500493994.db2.gz KLBASCUVKRAVPX-HNTVYWHESA-N 2 1 371.569 3.396 20 0 FGADMP COc1sc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1Br ZINC000424388059 500495478 /nfs/dbraw/zinc/49/54/78/500495478.db2.gz ZBWVJFJONRLOJQ-NSHDSACASA-N 2 1 359.333 3.483 20 0 FGADMP COc1ccc2ccccc2c1C[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000582383028 506199494 /nfs/dbraw/zinc/19/94/94/506199494.db2.gz JGOBFHNJHJIXLK-UHFFFAOYSA-N 2 1 365.477 3.474 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432360763 500504890 /nfs/dbraw/zinc/50/48/90/500504890.db2.gz XFUDRBASOINIFV-GOSISDBHSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCCN1CCCO[C@H](C)C1 ZINC000432360763 500504892 /nfs/dbraw/zinc/50/48/92/500504892.db2.gz XFUDRBASOINIFV-GOSISDBHSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432360763 500504894 /nfs/dbraw/zinc/50/48/94/500504894.db2.gz XFUDRBASOINIFV-GOSISDBHSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432360763 500504895 /nfs/dbraw/zinc/50/48/95/500504895.db2.gz XFUDRBASOINIFV-GOSISDBHSA-N 2 1 370.541 3.139 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424441260 500506147 /nfs/dbraw/zinc/50/61/47/500506147.db2.gz WNUUEISSXGTDTA-QGZVFWFLSA-N 2 1 352.482 3.192 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000424441260 500506152 /nfs/dbraw/zinc/50/61/52/500506152.db2.gz WNUUEISSXGTDTA-QGZVFWFLSA-N 2 1 352.482 3.192 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000432521629 500526869 /nfs/dbraw/zinc/52/68/69/500526869.db2.gz ZDAOWBWKWZNQHK-DYESRHJHSA-N 2 1 351.494 3.046 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000428573629 500529034 /nfs/dbraw/zinc/52/90/34/500529034.db2.gz PFSZBEDRVSDMLD-LEWJYISDSA-N 2 1 357.473 3.150 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2n[nH]cc2c1 ZINC000420968981 500543566 /nfs/dbraw/zinc/54/35/66/500543566.db2.gz XSNZAHLJPDLZLZ-MRXNPFEDSA-N 2 1 350.466 3.246 20 0 FGADMP CC(C)(CO)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccs1 ZINC000420968395 500543898 /nfs/dbraw/zinc/54/38/98/500543898.db2.gz WIRVMUKHNJKNSR-FQEVSTJZSA-N 2 1 374.550 3.430 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(F)c4cccnc34)CC2)CC1 ZINC000420976505 500545321 /nfs/dbraw/zinc/54/53/21/500545321.db2.gz HCPYIJXRCCPWLU-UHFFFAOYSA-N 2 1 370.516 3.366 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000573494535 506204030 /nfs/dbraw/zinc/20/40/30/506204030.db2.gz PCYHMWSJPHVQIQ-GHTZIAJQSA-N 2 1 357.542 3.060 20 0 FGADMP OC(C[NH+]1CCS[C@@H]2CCCC[C@@H]21)C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000447300757 500588302 /nfs/dbraw/zinc/58/83/02/500588302.db2.gz FDVYIHJHPHFMDW-INDMIFKZSA-N 2 1 370.628 3.067 20 0 FGADMP OC(C[NH+]1CCS[C@@H]2CCCC[C@@H]21)C[N@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000447300757 500588305 /nfs/dbraw/zinc/58/83/05/500588305.db2.gz FDVYIHJHPHFMDW-INDMIFKZSA-N 2 1 370.628 3.067 20 0 FGADMP CC(C)[C@H](CNC(=O)[C@@](C)([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000447436282 500605955 /nfs/dbraw/zinc/60/59/55/500605955.db2.gz VOIUTKCRQLGJNO-GMAHTHKFSA-N 2 1 365.521 3.060 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433085257 500622551 /nfs/dbraw/zinc/62/25/51/500622551.db2.gz UDXSEEUTEPPFMZ-XXDDBKGRSA-N 2 1 374.569 3.269 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783778 500625366 /nfs/dbraw/zinc/62/53/66/500625366.db2.gz RZCYLAITYSWLKH-FUHIMQAGSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783778 500625369 /nfs/dbraw/zinc/62/53/69/500625369.db2.gz RZCYLAITYSWLKH-FUHIMQAGSA-N 2 1 357.542 3.317 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCOC4(CCOCC4)C2)C3)cc1 ZINC000447589074 500629545 /nfs/dbraw/zinc/62/95/45/500629545.db2.gz WWEWCFQJZGAWSL-MYGLTJDJSA-N 2 1 370.537 3.500 20 0 FGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC(F)F)cc1 ZINC000442862200 500636432 /nfs/dbraw/zinc/63/64/32/500636432.db2.gz FINDOGVWLQSECY-QGZVFWFLSA-N 2 1 355.473 3.355 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1(C)C ZINC000442878796 500638771 /nfs/dbraw/zinc/63/87/71/500638771.db2.gz UTUQGCYGYMTLQF-FQEVSTJZSA-N 2 1 357.542 3.005 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000442916714 500646286 /nfs/dbraw/zinc/64/62/86/500646286.db2.gz AEBLONKUBIMFKQ-LBPRGKRZSA-N 2 1 354.285 3.135 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@H]2CCCO2)C1 ZINC000442933047 500649039 /nfs/dbraw/zinc/64/90/39/500649039.db2.gz ZLVIAUATZOFEIH-CRAIPNDOSA-N 2 1 352.906 3.459 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433310258 500668601 /nfs/dbraw/zinc/66/86/01/500668601.db2.gz HIRQGOHZTLJUFF-KRWDZBQOSA-N 2 1 363.933 3.118 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000433310258 500668603 /nfs/dbraw/zinc/66/86/03/500668603.db2.gz HIRQGOHZTLJUFF-KRWDZBQOSA-N 2 1 363.933 3.118 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCC2(c3ccccc3)CCCCC2)C1 ZINC000443068408 500673029 /nfs/dbraw/zinc/67/30/29/500673029.db2.gz HZSPCHFRDNIGIG-LJQANCHMSA-N 2 1 357.542 3.066 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3c[nH]nc3-c3ccsc3)CC2)C[C@H](C)O1 ZINC000437688653 500681810 /nfs/dbraw/zinc/68/18/10/500681810.db2.gz BGLZJSDICHGIFW-IYBDPMFKSA-N 2 1 374.554 3.459 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000433555519 500711103 /nfs/dbraw/zinc/71/11/03/500711103.db2.gz UUQVFYLYLQNWLX-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000443636330 500747729 /nfs/dbraw/zinc/74/77/29/500747729.db2.gz AYQCVKKONGTELB-MOPGFXCFSA-N 2 1 357.542 3.267 20 0 FGADMP C[C@H](NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000443645701 500749632 /nfs/dbraw/zinc/74/96/32/500749632.db2.gz IUGGHPFYRXMWBK-WMLDXEAASA-N 2 1 368.953 3.218 20 0 FGADMP C[C@H](CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000570716194 506215042 /nfs/dbraw/zinc/21/50/42/506215042.db2.gz BYMBNKVNYRBKNF-SFHLNBCPSA-N 2 1 371.569 3.429 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438571825 500803108 /nfs/dbraw/zinc/80/31/08/500803108.db2.gz BFKPROQUCDEGNR-RTWAWAEBSA-N 2 1 355.526 3.347 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000444311966 500833197 /nfs/dbraw/zinc/83/31/97/500833197.db2.gz JTDYBLNYLIDFPY-HXUWFJFHSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444691 500844174 /nfs/dbraw/zinc/84/41/74/500844174.db2.gz KRHQUMVTDQWZSR-NHCUHLMSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444691 500844175 /nfs/dbraw/zinc/84/41/75/500844175.db2.gz KRHQUMVTDQWZSR-NHCUHLMSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000434444691 500844177 /nfs/dbraw/zinc/84/41/77/500844177.db2.gz KRHQUMVTDQWZSR-NHCUHLMSSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000434444691 500844178 /nfs/dbraw/zinc/84/41/78/500844178.db2.gz KRHQUMVTDQWZSR-NHCUHLMSSA-N 2 1 355.526 3.174 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000439228610 500872380 /nfs/dbraw/zinc/87/23/80/500872380.db2.gz HPWDJQLFGLAKKB-HCXYKTFWSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439228610 500872383 /nfs/dbraw/zinc/87/23/83/500872383.db2.gz HPWDJQLFGLAKKB-HCXYKTFWSA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000439228610 500872386 /nfs/dbraw/zinc/87/23/86/500872386.db2.gz HPWDJQLFGLAKKB-HCXYKTFWSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434682704 500878847 /nfs/dbraw/zinc/87/88/47/500878847.db2.gz DCEWTIQEIHXXEE-KSZLIROESA-N 2 1 372.557 3.292 20 0 FGADMP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000434709839 500882145 /nfs/dbraw/zinc/88/21/45/500882145.db2.gz VXTTVBNNSMSLMT-UTKZUKDTSA-N 2 1 351.494 3.189 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000449075283 500918792 /nfs/dbraw/zinc/91/87/92/500918792.db2.gz MOKSOGCPSSOWHV-LAUBAEHRSA-N 2 1 352.526 3.483 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[NH+](C)C1 ZINC000607686993 506225190 /nfs/dbraw/zinc/22/51/90/506225190.db2.gz PPZPKNTXTLLKAF-OALUTQOASA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000607686993 506225198 /nfs/dbraw/zinc/22/51/98/506225198.db2.gz PPZPKNTXTLLKAF-OALUTQOASA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H]1CCCC[NH+]1CCOc1ccccc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000607686993 506225204 /nfs/dbraw/zinc/22/52/04/506225204.db2.gz PPZPKNTXTLLKAF-OALUTQOASA-N 2 1 373.541 3.106 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(N(C)C)CCSC2)CC1 ZINC000449174966 500941148 /nfs/dbraw/zinc/94/11/48/500941148.db2.gz JGNRIQPBJBZKLB-NQIIRXRSSA-N 2 1 361.599 3.109 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](C)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000449203607 500946897 /nfs/dbraw/zinc/94/68/97/500946897.db2.gz HMENSNWPWXEHGO-MSOLQXFVSA-N 2 1 366.571 3.151 20 0 FGADMP C[C@H](CC(C)(C)C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000449219844 500951126 /nfs/dbraw/zinc/95/11/26/500951126.db2.gz OMVKVMZXWMPBKK-QGZVFWFLSA-N 2 1 361.530 3.262 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375643 500962352 /nfs/dbraw/zinc/96/23/52/500962352.db2.gz WBCJJBQILUOOTI-CZUORRHYSA-N 2 1 352.404 3.119 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000435375643 500962353 /nfs/dbraw/zinc/96/23/53/500962353.db2.gz WBCJJBQILUOOTI-CZUORRHYSA-N 2 1 352.404 3.119 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccccc3)o2)C1)[C@H]1CCC[NH2+]1 ZINC000435375362 500962472 /nfs/dbraw/zinc/96/24/72/500962472.db2.gz UPDDRQXGOURUPM-FXAWDEMLSA-N 2 1 367.493 3.027 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000435375569 500962591 /nfs/dbraw/zinc/96/25/91/500962591.db2.gz VLMXVFOVQABQMM-DNVCBOLYSA-N 2 1 356.514 3.483 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000435375569 500962594 /nfs/dbraw/zinc/96/25/94/500962594.db2.gz VLMXVFOVQABQMM-DNVCBOLYSA-N 2 1 356.514 3.483 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435380897 500964358 /nfs/dbraw/zinc/96/43/58/500964358.db2.gz UHPLKIYONWCBNE-FFZOFVMBSA-N 2 1 358.917 3.371 20 0 FGADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000435388335 500966036 /nfs/dbraw/zinc/96/60/36/500966036.db2.gz FGWSONCAXRIDJB-GOSISDBHSA-N 2 1 358.457 3.455 20 0 FGADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccc(F)cc3)c(OC)c2)C1 ZINC000435388335 500966039 /nfs/dbraw/zinc/96/60/39/500966039.db2.gz FGWSONCAXRIDJB-GOSISDBHSA-N 2 1 358.457 3.455 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000435387049 500966127 /nfs/dbraw/zinc/96/61/27/500966127.db2.gz WPKBWLTWZDYLFZ-MJGOQNOKSA-N 2 1 361.493 3.494 20 0 FGADMP COC(=O)c1ccc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000435427790 500973530 /nfs/dbraw/zinc/97/35/30/500973530.db2.gz NGOGZSXYUUGNKL-QGZVFWFLSA-N 2 1 360.479 3.272 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)o1 ZINC000435427790 500973533 /nfs/dbraw/zinc/97/35/33/500973533.db2.gz NGOGZSXYUUGNKL-QGZVFWFLSA-N 2 1 360.479 3.272 20 0 FGADMP Cc1cc(NC[C@H]2CCC[N@H+]2C2CCCCC2)nc(-c2ccncc2)n1 ZINC000435590052 500997062 /nfs/dbraw/zinc/99/70/62/500997062.db2.gz UMWGPJVWQCLHEK-LJQANCHMSA-N 2 1 351.498 3.478 20 0 FGADMP CC[C@@H](NC(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628654 501004816 /nfs/dbraw/zinc/00/48/16/501004816.db2.gz VOZFBAXPCFTJCI-QZTJIDSGSA-N 2 1 351.922 3.371 20 0 FGADMP CC[C@@H](NC(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000435628654 501004819 /nfs/dbraw/zinc/00/48/19/501004819.db2.gz VOZFBAXPCFTJCI-QZTJIDSGSA-N 2 1 351.922 3.371 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631069 501005219 /nfs/dbraw/zinc/00/52/19/501005219.db2.gz ZSTQNFLJSVCZAK-DYESRHJHSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631069 501005222 /nfs/dbraw/zinc/00/52/22/501005222.db2.gz ZSTQNFLJSVCZAK-DYESRHJHSA-N 2 1 353.510 3.481 20 0 FGADMP COc1ccc(CC[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435690615 501012851 /nfs/dbraw/zinc/01/28/51/501012851.db2.gz BKUZFGDRLGVYRR-GOSISDBHSA-N 2 1 357.523 3.339 20 0 FGADMP COc1cccc(CCC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435696653 501013167 /nfs/dbraw/zinc/01/31/67/501013167.db2.gz UVVWYVWZRYPQIL-FQEVSTJZSA-N 2 1 368.525 3.006 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494575 501017878 /nfs/dbraw/zinc/01/78/78/501017878.db2.gz GXBYLOYJBCYAMF-OFNKIYASSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494575 501017881 /nfs/dbraw/zinc/01/78/81/501017881.db2.gz GXBYLOYJBCYAMF-OFNKIYASSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494575 501017884 /nfs/dbraw/zinc/01/78/84/501017884.db2.gz GXBYLOYJBCYAMF-OFNKIYASSA-N 2 1 371.569 3.131 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000449494575 501017886 /nfs/dbraw/zinc/01/78/86/501017886.db2.gz GXBYLOYJBCYAMF-OFNKIYASSA-N 2 1 371.569 3.131 20 0 FGADMP Cc1c(Cl)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc12 ZINC000436065062 501064774 /nfs/dbraw/zinc/06/47/74/501064774.db2.gz XACNBEWAJHEDTR-OAHLLOKOSA-N 2 1 374.916 3.016 20 0 FGADMP Cc1c(Cl)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc12 ZINC000436065062 501064778 /nfs/dbraw/zinc/06/47/78/501064778.db2.gz XACNBEWAJHEDTR-OAHLLOKOSA-N 2 1 374.916 3.016 20 0 FGADMP COc1cc(Cl)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Cl ZINC000441369299 501129135 /nfs/dbraw/zinc/12/91/35/501129135.db2.gz DEVLXZDRQJFWBL-UHFFFAOYSA-N 2 1 360.329 3.118 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369163 501129220 /nfs/dbraw/zinc/12/92/20/501129220.db2.gz CUKAKXMVCHDEDC-UXHICEINSA-N 2 1 356.510 3.386 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369163 501129223 /nfs/dbraw/zinc/12/92/23/501129223.db2.gz CUKAKXMVCHDEDC-UXHICEINSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369163 501129226 /nfs/dbraw/zinc/12/92/26/501129226.db2.gz CUKAKXMVCHDEDC-UXHICEINSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369163 501129230 /nfs/dbraw/zinc/12/92/30/501129230.db2.gz CUKAKXMVCHDEDC-UXHICEINSA-N 2 1 356.510 3.386 20 0 FGADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000450472397 501129621 /nfs/dbraw/zinc/12/96/21/501129621.db2.gz FKVHTBSSIXNHHY-AWWSKVOZSA-N 2 1 374.569 3.362 20 0 FGADMP COC[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000446921769 501181254 /nfs/dbraw/zinc/18/12/54/501181254.db2.gz UPIPUOKKAZMGHG-DWLFOUALSA-N 2 1 360.542 3.318 20 0 FGADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000446973227 501188973 /nfs/dbraw/zinc/18/89/73/501188973.db2.gz BZXUSMQHHSOETH-GVDBMIGSSA-N 2 1 374.422 3.404 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)c3ccccc3)C1)CCCC2 ZINC000450784739 501207883 /nfs/dbraw/zinc/20/78/83/501207883.db2.gz KPSLUZDXISANAX-PERKRYKHSA-N 2 1 353.510 3.482 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)c3ccccc3)C1)CCCC2 ZINC000450784739 501207888 /nfs/dbraw/zinc/20/78/88/501207888.db2.gz KPSLUZDXISANAX-PERKRYKHSA-N 2 1 353.510 3.482 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)[C@@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451148378 501248295 /nfs/dbraw/zinc/24/82/95/501248295.db2.gz QCLOEOPNJWMZCJ-RRFJBIMHSA-N 2 1 363.468 3.027 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000453081997 501265222 /nfs/dbraw/zinc/26/52/22/501265222.db2.gz KPKAVSFIYVNRDB-IBGZPJMESA-N 2 1 353.510 3.415 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119899 501272890 /nfs/dbraw/zinc/27/28/90/501272890.db2.gz JPSVQRUMAIEFFN-VWNXMTODSA-N 2 1 364.533 3.407 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCc2ccccc2CC1 ZINC000453119899 501272892 /nfs/dbraw/zinc/27/28/92/501272892.db2.gz JPSVQRUMAIEFFN-VWNXMTODSA-N 2 1 364.533 3.407 20 0 FGADMP CC(C)c1cccc(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000457661640 501280839 /nfs/dbraw/zinc/28/08/39/501280839.db2.gz HBWAEOMACZJRBJ-CBQGHPETSA-N 2 1 369.553 3.122 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@H]3CCC[C@H]32)cc1 ZINC000453161143 501281770 /nfs/dbraw/zinc/28/17/70/501281770.db2.gz IRPSNRGWMWHKNC-XNBWIAOKSA-N 2 1 370.537 3.357 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1ccncn1 ZINC000453161154 501281811 /nfs/dbraw/zinc/28/18/11/501281811.db2.gz ISASRDKXRZTTDF-OTWHNJEPSA-N 2 1 368.525 3.337 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCO[C@]4(CCOC4)C3)[C@H]3CCC[C@@H]32)cc1 ZINC000453161141 501282029 /nfs/dbraw/zinc/28/20/29/501282029.db2.gz IRPSNRGWMWHKNC-MHMIHQHRSA-N 2 1 370.537 3.357 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000457800922 501311636 /nfs/dbraw/zinc/31/16/36/501311636.db2.gz XXEGZOGKPHUUPI-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535364 501315877 /nfs/dbraw/zinc/31/58/77/501315877.db2.gz ZRPHZWLPXRSCAO-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535364 501315879 /nfs/dbraw/zinc/31/58/79/501315879.db2.gz ZRPHZWLPXRSCAO-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535364 501315882 /nfs/dbraw/zinc/31/58/82/501315882.db2.gz ZRPHZWLPXRSCAO-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535364 501315885 /nfs/dbraw/zinc/31/58/85/501315885.db2.gz ZRPHZWLPXRSCAO-MOPGFXCFSA-N 2 1 371.516 3.078 20 0 FGADMP CC[N@H+](C)Cc1cccc(CNC(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC000455624282 501350001 /nfs/dbraw/zinc/35/00/01/501350001.db2.gz BVQRYZDNOVYHLG-UHFFFAOYSA-N 2 1 351.454 3.416 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2cc(C)c3[nH+]ccn3c2)c1 ZINC000455624282 501350003 /nfs/dbraw/zinc/35/00/03/501350003.db2.gz BVQRYZDNOVYHLG-UHFFFAOYSA-N 2 1 351.454 3.416 20 0 FGADMP C[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172535 501384332 /nfs/dbraw/zinc/38/43/32/501384332.db2.gz QUEXZQNDVCRSLG-DENIHFKCSA-N 2 1 371.569 3.178 20 0 FGADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000458195665 501389392 /nfs/dbraw/zinc/38/93/92/501389392.db2.gz CGLNYFSAIDCSNW-GOSISDBHSA-N 2 1 363.571 3.293 20 0 FGADMP Cc1cc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)ccc1OCC[NH+](C)C ZINC000458204422 501392179 /nfs/dbraw/zinc/39/21/79/501392179.db2.gz XLPUIHLBLPMGEB-FQEVSTJZSA-N 2 1 355.482 3.177 20 0 FGADMP CC(C)N1CC[NH+](CCCN2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000451902119 501396592 /nfs/dbraw/zinc/39/65/92/501396592.db2.gz NBUCTNCBNOIRPG-UHFFFAOYSA-N 2 1 366.638 3.235 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1F ZINC000458282318 501411246 /nfs/dbraw/zinc/41/12/46/501411246.db2.gz ICZFXUFDQIBVGR-LJQANCHMSA-N 2 1 359.445 3.008 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455909088 501412966 /nfs/dbraw/zinc/41/29/66/501412966.db2.gz ILDAXIYQKVXYHC-QINHECLXSA-N 2 1 358.530 3.477 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000458396830 501435641 /nfs/dbraw/zinc/43/56/41/501435641.db2.gz DBLUEYFVLXKHLV-GHTZIAJQSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+](C)Cc1ccccc1 ZINC000458508435 501462222 /nfs/dbraw/zinc/46/22/22/501462222.db2.gz OKNMJMTUVXAEBP-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[N@H+](C)Cc1ccccc1 ZINC000458508435 501462225 /nfs/dbraw/zinc/46/22/25/501462225.db2.gz OKNMJMTUVXAEBP-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)[N@@H+](C)Cc1ccccc1 ZINC000458508435 501462227 /nfs/dbraw/zinc/46/22/27/501462227.db2.gz OKNMJMTUVXAEBP-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1)C1CC1 ZINC000454383616 501529511 /nfs/dbraw/zinc/52/95/11/501529511.db2.gz FRMKUOLZYJSPRP-NRFANRHFSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CC1 ZINC000454383616 501529515 /nfs/dbraw/zinc/52/95/15/501529515.db2.gz FRMKUOLZYJSPRP-NRFANRHFSA-N 2 1 372.557 3.215 20 0 FGADMP C[NH+](CCCCNC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)C1CC1 ZINC000454383616 501529519 /nfs/dbraw/zinc/52/95/19/501529519.db2.gz FRMKUOLZYJSPRP-NRFANRHFSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458983990 501570949 /nfs/dbraw/zinc/57/09/49/501570949.db2.gz DVYVVUKNVDHAHA-PIKOESSRSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000456703968 501581728 /nfs/dbraw/zinc/58/17/28/501581728.db2.gz HPDLGGDAFGKYEK-UHFFFAOYSA-N 2 1 369.513 3.240 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000454646024 501600371 /nfs/dbraw/zinc/60/03/71/501600371.db2.gz PIZAEXDZFVMQPG-IAGOWNOFSA-N 2 1 352.567 3.011 20 0 FGADMP CCOCC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030712 501604497 /nfs/dbraw/zinc/60/44/97/501604497.db2.gz YQSDJPKJJIMTES-VXKWHMMOSA-N 2 1 374.569 3.397 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)[C@H]1SC ZINC000459400391 501646823 /nfs/dbraw/zinc/64/68/23/501646823.db2.gz HJOQSOVNZDXROP-YQVWRLOYSA-N 2 1 367.559 3.002 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000454878305 501647922 /nfs/dbraw/zinc/64/79/22/501647922.db2.gz WSHRPYPYCJJJLC-OAQYLSRUSA-N 2 1 372.557 3.074 20 0 FGADMP CCOc1ccc([C@H](C)NC(=O)CCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459428462 501652512 /nfs/dbraw/zinc/65/25/12/501652512.db2.gz GXUYQUUCGMRVBQ-KRWDZBQOSA-N 2 1 373.541 3.259 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433419 501653049 /nfs/dbraw/zinc/65/30/49/501653049.db2.gz NJSHXYZEHHIWMG-PZJWPPBQSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc(Cl)cc1 ZINC000459433419 501653052 /nfs/dbraw/zinc/65/30/52/501653052.db2.gz NJSHXYZEHHIWMG-PZJWPPBQSA-N 2 1 358.913 3.355 20 0 FGADMP CCN1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000459474531 501659934 /nfs/dbraw/zinc/65/99/34/501659934.db2.gz YATCQRJWSCEFRF-UYAOXDASSA-N 2 1 367.459 3.456 20 0 FGADMP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459560060 501676701 /nfs/dbraw/zinc/67/67/01/501676701.db2.gz KIUSJYKNZPXUEM-RBUKOAKNSA-N 2 1 367.459 3.233 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000459571448 501679041 /nfs/dbraw/zinc/67/90/41/501679041.db2.gz OMRSQUQQSXGAKZ-OAQYLSRUSA-N 2 1 355.526 3.204 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC3(CCCC3)[C@H]2c2ccccc2)CC1 ZINC000459571448 501679043 /nfs/dbraw/zinc/67/90/43/501679043.db2.gz OMRSQUQQSXGAKZ-OAQYLSRUSA-N 2 1 355.526 3.204 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000459722430 501703751 /nfs/dbraw/zinc/70/37/51/501703751.db2.gz BIFPAKIZUCXZQD-ZDUSSCGKSA-N 2 1 368.312 3.396 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(Br)c1 ZINC000459798409 501715194 /nfs/dbraw/zinc/71/51/94/501715194.db2.gz XRXVHXMIGFZJBT-ZDUSSCGKSA-N 2 1 369.303 3.057 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000481315883 501741743 /nfs/dbraw/zinc/74/17/43/501741743.db2.gz ZDYYCRPQQFEWFB-LAUBAEHRSA-N 2 1 350.510 3.074 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000481315883 501741749 /nfs/dbraw/zinc/74/17/49/501741749.db2.gz ZDYYCRPQQFEWFB-LAUBAEHRSA-N 2 1 350.510 3.074 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)C1 ZINC000474478391 501850290 /nfs/dbraw/zinc/85/02/90/501850290.db2.gz PCDJPFQXJANKJK-IYBDPMFKSA-N 2 1 361.921 3.378 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647444 501884957 /nfs/dbraw/zinc/88/49/57/501884957.db2.gz HULRIERMGNHXIF-BZSNNMDCSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647444 501884962 /nfs/dbraw/zinc/88/49/62/501884962.db2.gz HULRIERMGNHXIF-BZSNNMDCSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647444 501884967 /nfs/dbraw/zinc/88/49/67/501884967.db2.gz HULRIERMGNHXIF-BZSNNMDCSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655231 501887582 /nfs/dbraw/zinc/88/75/82/501887582.db2.gz KZKQFCMXZHGGRN-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460655231 501887588 /nfs/dbraw/zinc/88/75/88/501887588.db2.gz KZKQFCMXZHGGRN-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460655231 501887590 /nfs/dbraw/zinc/88/75/90/501887590.db2.gz KZKQFCMXZHGGRN-ZJOUEHCJSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000474598970 501887992 /nfs/dbraw/zinc/88/79/92/501887992.db2.gz LXJLSOQDSYLRJH-KDURUIRLSA-N 2 1 356.514 3.160 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671592 501896226 /nfs/dbraw/zinc/89/62/26/501896226.db2.gz JBQPONCWVPFCHU-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671592 501896231 /nfs/dbraw/zinc/89/62/31/501896231.db2.gz JBQPONCWVPFCHU-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC000485671592 501896235 /nfs/dbraw/zinc/89/62/35/501896235.db2.gz JBQPONCWVPFCHU-GOEBONIOSA-N 2 1 367.921 3.482 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677636 501898803 /nfs/dbraw/zinc/89/88/03/501898803.db2.gz GFNBQKYECNNKIY-YOEHRIQHSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677636 501898805 /nfs/dbraw/zinc/89/88/05/501898805.db2.gz GFNBQKYECNNKIY-YOEHRIQHSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@@H](C)C1 ZINC000485677636 501898808 /nfs/dbraw/zinc/89/88/08/501898808.db2.gz GFNBQKYECNNKIY-YOEHRIQHSA-N 2 1 367.921 3.339 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2cccs2)CC1 ZINC000468075171 501948574 /nfs/dbraw/zinc/94/85/74/501948574.db2.gz XIYSCVREKOCLOE-OKZBNKHCSA-N 2 1 363.571 3.368 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019217 501949233 /nfs/dbraw/zinc/94/92/33/501949233.db2.gz MILMYAUOFRYNTR-HBMCJLEFSA-N 2 1 373.541 3.210 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1)[NH+](CC)CC ZINC000482019217 501949236 /nfs/dbraw/zinc/94/92/36/501949236.db2.gz MILMYAUOFRYNTR-HBMCJLEFSA-N 2 1 373.541 3.210 20 0 FGADMP CC(C)(CNC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000478410421 501972192 /nfs/dbraw/zinc/97/21/92/501972192.db2.gz VKAZERFVTNZQDU-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000482107911 501977422 /nfs/dbraw/zinc/97/74/22/501977422.db2.gz NLMXKDABJKZQES-OAHLLOKOSA-N 2 1 361.511 3.259 20 0 FGADMP CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CCCC[C@@H]1[NH+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494283 502004952 /nfs/dbraw/zinc/00/49/52/502004952.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@@H]1[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494283 502004957 /nfs/dbraw/zinc/00/49/57/502004957.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CCCC[C@@H]1[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000464494283 502004962 /nfs/dbraw/zinc/00/49/62/502004962.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[N@@H+]1C)[C@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494283 502004965 /nfs/dbraw/zinc/00/49/65/502004965.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CCCC[C@H]1[NH+](C)CC[C@H]1CCC[NH+]1C ZINC000464494283 502004972 /nfs/dbraw/zinc/00/49/72/502004972.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494283 502004975 /nfs/dbraw/zinc/00/49/75/502004975.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CCCC[C@H]1[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000464494283 502004977 /nfs/dbraw/zinc/00/49/77/502004977.db2.gz AKISQLBYHPFWKA-COPRSSIGSA-N 3 1 364.622 3.130 20 0 FGADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000461098652 502012532 /nfs/dbraw/zinc/01/25/32/502012532.db2.gz PTZZMRDBDIKZQK-CZUORRHYSA-N 2 1 355.885 3.107 20 0 FGADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000461098652 502012536 /nfs/dbraw/zinc/01/25/36/502012536.db2.gz PTZZMRDBDIKZQK-CZUORRHYSA-N 2 1 355.885 3.107 20 0 FGADMP CCN(C(=O)NCCC[NH+](CC)CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475027158 502026063 /nfs/dbraw/zinc/02/60/63/502026063.db2.gz FLVNQSHWEWPZDO-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CC[N@@H+](CCc1cccs1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475041707 502031693 /nfs/dbraw/zinc/03/16/93/502031693.db2.gz RSBINECFUCUYBY-IBGZPJMESA-N 2 1 359.539 3.032 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC[C@H]1C ZINC000475127663 502070001 /nfs/dbraw/zinc/07/00/01/502070001.db2.gz DEPSPCXMADLJOT-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCCC[C@H]1C ZINC000475127663 502070004 /nfs/dbraw/zinc/07/00/04/502070004.db2.gz DEPSPCXMADLJOT-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](CNC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1CCCC[C@H]1C ZINC000475127663 502070007 /nfs/dbraw/zinc/07/00/07/502070007.db2.gz DEPSPCXMADLJOT-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP Cc1cccc([C@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)c1 ZINC000475141660 502077566 /nfs/dbraw/zinc/07/75/66/502077566.db2.gz VRHOBGDYRAEYKL-VXKWHMMOSA-N 2 1 365.521 3.203 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000468492055 502079898 /nfs/dbraw/zinc/07/98/98/502079898.db2.gz LZCANPNMCQANLI-FQEVSTJZSA-N 2 1 357.542 3.135 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468532962 502094584 /nfs/dbraw/zinc/09/45/84/502094584.db2.gz RPYRYDVBDOAUOQ-UYAOXDASSA-N 2 1 360.546 3.195 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792992 502097994 /nfs/dbraw/zinc/09/79/94/502097994.db2.gz ZKRCJINVUGWDSJ-AZUAARDMSA-N 2 1 362.558 3.306 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792992 502097999 /nfs/dbraw/zinc/09/79/99/502097999.db2.gz ZKRCJINVUGWDSJ-AZUAARDMSA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792992 502098002 /nfs/dbraw/zinc/09/80/02/502098002.db2.gz ZKRCJINVUGWDSJ-AZUAARDMSA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792992 502098007 /nfs/dbraw/zinc/09/80/07/502098007.db2.gz ZKRCJINVUGWDSJ-AZUAARDMSA-N 2 1 362.558 3.306 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C3CC3)C2)CC1 ZINC000475269896 502112023 /nfs/dbraw/zinc/11/20/23/502112023.db2.gz NVTQSTUVJKZUGK-XMSQKQJNSA-N 2 1 357.542 3.218 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000475355879 502146287 /nfs/dbraw/zinc/14/62/87/502146287.db2.gz XBHUNKWKMRUQSV-FGTMMUONSA-N 2 1 371.525 3.304 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000479064114 502151987 /nfs/dbraw/zinc/15/19/87/502151987.db2.gz GHABNZZHGHSZJA-FVJLSDCUSA-N 2 1 368.525 3.197 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000479296654 502217378 /nfs/dbraw/zinc/21/73/78/502217378.db2.gz QJAGHMGIEXPZPA-LJQANCHMSA-N 2 1 373.516 3.030 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000472071346 502219432 /nfs/dbraw/zinc/21/94/32/502219432.db2.gz BXBULCYELZYDGR-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000482943909 502223657 /nfs/dbraw/zinc/22/36/57/502223657.db2.gz FXEDMXGCOFUTGC-ICSRJNTNSA-N 2 1 366.509 3.219 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4nn(C)cc43)cc2)C[C@H](C)O1 ZINC000479360598 502235514 /nfs/dbraw/zinc/23/55/14/502235514.db2.gz METACXMOSHKCMT-LLGFUMIMSA-N 2 1 368.525 3.197 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475641123 502240791 /nfs/dbraw/zinc/24/07/91/502240791.db2.gz SJURVDOOVHCUFU-JOCHJYFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475641123 502240795 /nfs/dbraw/zinc/24/07/95/502240795.db2.gz SJURVDOOVHCUFU-JOCHJYFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475641123 502240798 /nfs/dbraw/zinc/24/07/98/502240798.db2.gz SJURVDOOVHCUFU-JOCHJYFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000475641123 502240803 /nfs/dbraw/zinc/24/08/03/502240803.db2.gz SJURVDOOVHCUFU-JOCHJYFZSA-N 2 1 360.542 3.415 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000465397648 502250698 /nfs/dbraw/zinc/25/06/98/502250698.db2.gz SVJSPTMLSWNWSP-SLFFLAALSA-N 2 1 366.594 3.164 20 0 FGADMP CC[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+](CC)CC ZINC000462008752 502271945 /nfs/dbraw/zinc/27/19/45/502271945.db2.gz IGZPWPGUISSRMJ-OAQYLSRUSA-N 2 1 359.558 3.274 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000462014073 502274326 /nfs/dbraw/zinc/27/43/26/502274326.db2.gz YJEYODYBDVFKGC-LJQANCHMSA-N 2 1 374.573 3.413 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000582577149 506303994 /nfs/dbraw/zinc/30/39/94/506303994.db2.gz MHSLEMZZTWLZPA-NHCUHLMSSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577149 506304002 /nfs/dbraw/zinc/30/40/02/506304002.db2.gz MHSLEMZZTWLZPA-NHCUHLMSSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577149 506304011 /nfs/dbraw/zinc/30/40/11/506304011.db2.gz MHSLEMZZTWLZPA-NHCUHLMSSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000582577150 506304138 /nfs/dbraw/zinc/30/41/38/506304138.db2.gz MHSLEMZZTWLZPA-RTWAWAEBSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577150 506304142 /nfs/dbraw/zinc/30/41/42/506304142.db2.gz MHSLEMZZTWLZPA-RTWAWAEBSA-N 2 1 357.542 3.087 20 0 FGADMP CC[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000582577150 506304148 /nfs/dbraw/zinc/30/41/48/506304148.db2.gz MHSLEMZZTWLZPA-RTWAWAEBSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144581 502289232 /nfs/dbraw/zinc/28/92/32/502289232.db2.gz RSUNUXFSWKDHLA-CKEIUWERSA-N 2 1 357.420 3.094 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1 ZINC000483144581 502289240 /nfs/dbraw/zinc/28/92/40/502289240.db2.gz RSUNUXFSWKDHLA-CKEIUWERSA-N 2 1 357.420 3.094 20 0 FGADMP C[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479537782 502289675 /nfs/dbraw/zinc/28/96/75/502289675.db2.gz AMNGZBVMGSQJRM-ZXDFIECXSA-N 2 1 357.542 3.055 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)CC(C)C ZINC000465579544 502314250 /nfs/dbraw/zinc/31/42/50/502314250.db2.gz XFPBBRWPESLVEX-HSALFYBXSA-N 2 1 366.594 3.400 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472331457 502319244 /nfs/dbraw/zinc/31/92/44/502319244.db2.gz XZMUXHUUDKFDKN-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+]1C ZINC000465604114 502323486 /nfs/dbraw/zinc/32/34/86/502323486.db2.gz ULESXYCBWJUPGX-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000465653690 502337666 /nfs/dbraw/zinc/33/76/66/502337666.db2.gz FWJRXIHISBQRRT-AZUAARDMSA-N 2 1 360.546 3.114 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465692841 502348804 /nfs/dbraw/zinc/34/88/04/502348804.db2.gz KKJVUXRQPXMTJE-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465692841 502348806 /nfs/dbraw/zinc/34/88/06/502348806.db2.gz KKJVUXRQPXMTJE-SFTDATJTSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753530 502371301 /nfs/dbraw/zinc/37/13/01/502371301.db2.gz KFHBBOBQINFQKU-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465753530 502371303 /nfs/dbraw/zinc/37/13/03/502371303.db2.gz KFHBBOBQINFQKU-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465753530 502371304 /nfs/dbraw/zinc/37/13/04/502371304.db2.gz KFHBBOBQINFQKU-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761195 502432451 /nfs/dbraw/zinc/43/24/51/502432451.db2.gz DBUMTVPBKXVHML-WBVHZDCISA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761195 502432456 /nfs/dbraw/zinc/43/24/56/502432456.db2.gz DBUMTVPBKXVHML-WBVHZDCISA-N 2 1 364.921 3.260 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000472761195 502432461 /nfs/dbraw/zinc/43/24/61/502432461.db2.gz DBUMTVPBKXVHML-WBVHZDCISA-N 2 1 364.921 3.260 20 0 FGADMP Brc1ccc(-c2ncc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479971246 502433956 /nfs/dbraw/zinc/43/39/56/502433956.db2.gz YUBZEPXFHPMGGD-BETUJISGSA-N 2 1 364.312 3.224 20 0 FGADMP Brc1ccc(-c2ncc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)s2)cc1 ZINC000479971246 502433960 /nfs/dbraw/zinc/43/39/60/502433960.db2.gz YUBZEPXFHPMGGD-BETUJISGSA-N 2 1 364.312 3.224 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000465988478 502447085 /nfs/dbraw/zinc/44/70/85/502447085.db2.gz WCJFTPBNNZXXRQ-MSOLQXFVSA-N 2 1 354.583 3.259 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C1CCCCC1 ZINC000466005174 502451538 /nfs/dbraw/zinc/45/15/38/502451538.db2.gz UILKRCCCKYBVAU-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C ZINC000483690443 502464423 /nfs/dbraw/zinc/46/44/23/502464423.db2.gz GQHAJZIVTXAGBQ-WTGUMLROSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000588711961 506316953 /nfs/dbraw/zinc/31/69/53/506316953.db2.gz VVHIYZWLYNZGPM-RTBURBONSA-N 2 1 373.541 3.063 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)N1CCOCC1 ZINC000480266331 502518372 /nfs/dbraw/zinc/51/83/72/502518372.db2.gz OQJAHDOEHUREOS-WWNPGLIZSA-N 2 1 373.585 3.234 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000483927538 502522925 /nfs/dbraw/zinc/52/29/25/502522925.db2.gz LIRQMTIFRRCGHI-NQIIRXRSSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000483927538 502522930 /nfs/dbraw/zinc/52/29/30/502522930.db2.gz LIRQMTIFRRCGHI-NQIIRXRSSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927538 502522933 /nfs/dbraw/zinc/52/29/33/502522933.db2.gz LIRQMTIFRRCGHI-NQIIRXRSSA-N 2 1 366.509 3.395 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccnc2)CC[NH+]1Cc1ccccc1 ZINC000483927538 502522938 /nfs/dbraw/zinc/52/29/38/502522938.db2.gz LIRQMTIFRRCGHI-NQIIRXRSSA-N 2 1 366.509 3.395 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000469763005 502535725 /nfs/dbraw/zinc/53/57/25/502535725.db2.gz FUPHNHLTRGZEOG-DENIHFKCSA-N 2 1 370.541 3.158 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@H](C)C1 ZINC000469763005 502535731 /nfs/dbraw/zinc/53/57/31/502535731.db2.gz FUPHNHLTRGZEOG-DENIHFKCSA-N 2 1 370.541 3.158 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096493 502568767 /nfs/dbraw/zinc/56/87/67/502568767.db2.gz KZCWPRQDNDCQCA-BVGQSLNGSA-N 2 1 356.869 3.041 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096493 502568774 /nfs/dbraw/zinc/56/87/74/502568774.db2.gz KZCWPRQDNDCQCA-BVGQSLNGSA-N 2 1 356.869 3.041 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469860169 502572213 /nfs/dbraw/zinc/57/22/13/502572213.db2.gz DPYQLVXQVFJJLZ-LPHOPBHVSA-N 2 1 369.509 3.075 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1 ZINC000480497242 502584295 /nfs/dbraw/zinc/58/42/95/502584295.db2.gz MYCHERVNNKNDSE-LPHOPBHVSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@H]2CCSC2)cc1 ZINC000480497242 502584300 /nfs/dbraw/zinc/58/43/00/502584300.db2.gz MYCHERVNNKNDSE-LPHOPBHVSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@H+](C)[C@H]2CCSC2)cc1 ZINC000480497242 502584303 /nfs/dbraw/zinc/58/43/03/502584303.db2.gz MYCHERVNNKNDSE-LPHOPBHVSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@@H+](C)[C@H]2CCSC2)cc1 ZINC000480497242 502584309 /nfs/dbraw/zinc/58/43/09/502584309.db2.gz MYCHERVNNKNDSE-LPHOPBHVSA-N 2 1 361.555 3.437 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469888144 502584765 /nfs/dbraw/zinc/58/47/65/502584765.db2.gz MDLMLAKMJIPHGO-IACUBPJLSA-N 2 1 352.404 3.151 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000469888144 502584768 /nfs/dbraw/zinc/58/47/68/502584768.db2.gz MDLMLAKMJIPHGO-IACUBPJLSA-N 2 1 352.404 3.151 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019064 502602121 /nfs/dbraw/zinc/60/21/21/502602121.db2.gz WDKYZMQFZYPNIJ-LQWHRVPQSA-N 2 1 364.578 3.013 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](CCC(F)(F)F)CC3)c2)C1 ZINC000462866504 502605821 /nfs/dbraw/zinc/60/58/21/502605821.db2.gz NBWOKGNVEMVMFP-SFHVURJKSA-N 2 1 371.447 3.082 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584090 502610423 /nfs/dbraw/zinc/61/04/23/502610423.db2.gz PEAYUQUYJWZNDX-TUNNFDKTSA-N 2 1 359.558 3.158 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000480600046 502616566 /nfs/dbraw/zinc/61/65/66/502616566.db2.gz HJBAYSZDQMAIQN-PGRDOPGGSA-N 2 1 365.521 3.437 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(CN[C@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000480615488 502621935 /nfs/dbraw/zinc/62/19/35/502621935.db2.gz WGGAQMBAVFDFFN-GCJKJVERSA-N 2 1 365.521 3.355 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)c2)cc1 ZINC000480615488 502621943 /nfs/dbraw/zinc/62/19/43/502621943.db2.gz WGGAQMBAVFDFFN-GCJKJVERSA-N 2 1 365.521 3.355 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463126675 502701863 /nfs/dbraw/zinc/70/18/63/502701863.db2.gz KBNDTZRKGVJLDZ-XMSQKQJNSA-N 2 1 365.521 3.231 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000463126675 502701866 /nfs/dbraw/zinc/70/18/66/502701866.db2.gz KBNDTZRKGVJLDZ-XMSQKQJNSA-N 2 1 365.521 3.231 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463126669 502702249 /nfs/dbraw/zinc/70/22/49/502702249.db2.gz KBNDTZRKGVJLDZ-AVRDEDQJSA-N 2 1 365.521 3.231 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000463126669 502702250 /nfs/dbraw/zinc/70/22/50/502702250.db2.gz KBNDTZRKGVJLDZ-AVRDEDQJSA-N 2 1 365.521 3.231 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21)C[NH+]1CCCC1 ZINC000481025075 502731296 /nfs/dbraw/zinc/73/12/96/502731296.db2.gz POXWQCVDKCBWCK-DLBZAZTESA-N 2 1 357.523 3.234 20 0 FGADMP C[NH+](C)[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000463241058 502733157 /nfs/dbraw/zinc/73/31/57/502733157.db2.gz ZUVIUEGWZWIPTE-OTYNDTSQSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000463241058 502733159 /nfs/dbraw/zinc/73/31/59/502733159.db2.gz ZUVIUEGWZWIPTE-OTYNDTSQSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000463241058 502733161 /nfs/dbraw/zinc/73/31/61/502733161.db2.gz ZUVIUEGWZWIPTE-OTYNDTSQSA-N 2 1 359.583 3.209 20 0 FGADMP OCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC2(CCC2)C1 ZINC000463242262 502734646 /nfs/dbraw/zinc/73/46/46/502734646.db2.gz LOBZPLFEMXWIRW-UHFFFAOYSA-N 2 1 360.517 3.365 20 0 FGADMP C[C@@H](C(=O)Nc1nc2ccc(F)cc2s1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000481036961 502736446 /nfs/dbraw/zinc/73/64/46/502736446.db2.gz OSJHWTALMQEYEN-LBPRGKRZSA-N 2 1 364.490 3.036 20 0 FGADMP C[C@@H](CCNC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCC1 ZINC000463269734 502741101 /nfs/dbraw/zinc/74/11/01/502741101.db2.gz CANNWFPIQWLHNY-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000463276225 502743745 /nfs/dbraw/zinc/74/37/45/502743745.db2.gz OYGDVTHZDBDOID-JJJJLYANSA-N 2 1 368.525 3.201 20 0 FGADMP Cc1c([C@H]2OCC[C@@H]2[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000463276225 502743746 /nfs/dbraw/zinc/74/37/46/502743746.db2.gz OYGDVTHZDBDOID-JJJJLYANSA-N 2 1 368.525 3.201 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000477339582 502747355 /nfs/dbraw/zinc/74/73/55/502747355.db2.gz QTEMXKPTDDXOCM-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP CCCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1OC ZINC000484842850 502752797 /nfs/dbraw/zinc/75/27/97/502752797.db2.gz AJLBXDZOJXOWNI-GUDVDZBRSA-N 2 1 362.514 3.121 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000488597471 502761829 /nfs/dbraw/zinc/76/18/29/502761829.db2.gz PEQHHWFSCWSIHG-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCN(C(=O)NC[C@H](C)[NH+](C)C1CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000473957595 502763073 /nfs/dbraw/zinc/76/30/73/502763073.db2.gz HOHHGFXCXFXHQB-WFXMLNOXSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@H+](C)C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957595 502763080 /nfs/dbraw/zinc/76/30/80/502763080.db2.gz HOHHGFXCXFXHQB-WFXMLNOXSA-N 2 1 372.557 3.336 20 0 FGADMP CCN(C(=O)NC[C@H](C)[N@@H+](C)C1CC1)[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000473957595 502763084 /nfs/dbraw/zinc/76/30/84/502763084.db2.gz HOHHGFXCXFXHQB-WFXMLNOXSA-N 2 1 372.557 3.336 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488642273 502772857 /nfs/dbraw/zinc/77/28/57/502772857.db2.gz IEAGRMPYQHLWRY-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000474000718 502775809 /nfs/dbraw/zinc/77/58/09/502775809.db2.gz NTRXFZRCHJYUDB-PXNSSMCTSA-N 2 1 369.513 3.059 20 0 FGADMP CCN(C(=O)NCCn1cc[nH+]c1C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474000718 502775815 /nfs/dbraw/zinc/77/58/15/502775815.db2.gz NTRXFZRCHJYUDB-PXNSSMCTSA-N 2 1 369.513 3.059 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481185654 502775908 /nfs/dbraw/zinc/77/59/08/502775908.db2.gz WRFYJLWIZKEXJC-IEBWSBKVSA-N 2 1 371.550 3.173 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481185654 502775913 /nfs/dbraw/zinc/77/59/13/502775913.db2.gz WRFYJLWIZKEXJC-IEBWSBKVSA-N 2 1 371.550 3.173 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919654 502777440 /nfs/dbraw/zinc/77/74/40/502777440.db2.gz UXMQQILCMDHHBU-SJORKVTESA-N 2 1 353.466 3.477 20 0 FGADMP CCN(C(=O)N[C@H](C)CC[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000474009942 502777988 /nfs/dbraw/zinc/77/79/88/502777988.db2.gz MPFPNZHFLJNAFV-HBFSDRIKSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000481186552 502778059 /nfs/dbraw/zinc/77/80/59/502778059.db2.gz DKIYRFRSNZTNNW-XCJLJZCSSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000481186552 502778063 /nfs/dbraw/zinc/77/80/63/502778063.db2.gz DKIYRFRSNZTNNW-XCJLJZCSSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481194359 502780044 /nfs/dbraw/zinc/78/00/44/502780044.db2.gz WFNJMXNSJRTBCD-DYXWJJEUSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481194359 502780052 /nfs/dbraw/zinc/78/00/52/502780052.db2.gz WFNJMXNSJRTBCD-DYXWJJEUSA-N 2 1 359.558 3.380 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000474032590 502784162 /nfs/dbraw/zinc/78/41/62/502784162.db2.gz MIRYKPRGJKPUCE-FDFHNCONSA-N 2 1 358.526 3.204 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1 ZINC000474032586 502784571 /nfs/dbraw/zinc/78/45/71/502784571.db2.gz MIRYKPRGJKPUCE-BHDDXSALSA-N 2 1 358.526 3.204 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477487187 502786161 /nfs/dbraw/zinc/78/61/61/502786161.db2.gz JGBXTGPYTLZJGJ-XPGWFJOJSA-N 2 1 373.541 3.256 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)C ZINC000470478217 502790279 /nfs/dbraw/zinc/79/02/79/502790279.db2.gz UOBOTHFXCDJMGS-KDURUIRLSA-N 2 1 354.583 3.163 20 0 FGADMP COc1cc([C@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000504899479 502820736 /nfs/dbraw/zinc/82/07/36/502820736.db2.gz HKLBACFIUXHSLA-KKSFZXQISA-N 2 1 358.457 3.122 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000504899479 502820741 /nfs/dbraw/zinc/82/07/41/502820741.db2.gz HKLBACFIUXHSLA-KKSFZXQISA-N 2 1 358.457 3.122 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N3CCC[NH+](C)CC3)cc2)C1 ZINC000500657393 502833627 /nfs/dbraw/zinc/83/36/27/502833627.db2.gz WXMRDUUOLQTTLG-KDURUIRLSA-N 2 1 372.557 3.012 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000505157558 502860581 /nfs/dbraw/zinc/86/05/81/502860581.db2.gz WZUFEFSUGSDDFB-PXNSSMCTSA-N 2 1 370.541 3.332 20 0 FGADMP Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1NC(=O)CC[NH+](C)C ZINC000505234485 502874375 /nfs/dbraw/zinc/87/43/75/502874375.db2.gz XCGSFQJZEJJKSJ-GOSISDBHSA-N 2 1 374.529 3.088 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489101232 502879672 /nfs/dbraw/zinc/87/96/72/502879672.db2.gz LPHOQZCKYUCPMW-SFHVURJKSA-N 2 1 351.494 3.141 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)c[nH]1 ZINC000509444164 502904935 /nfs/dbraw/zinc/90/49/35/502904935.db2.gz MFLRQWNDGOYSAT-IBGZPJMESA-N 2 1 355.482 3.192 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)c[nH]1 ZINC000509444164 502904939 /nfs/dbraw/zinc/90/49/39/502904939.db2.gz MFLRQWNDGOYSAT-IBGZPJMESA-N 2 1 355.482 3.192 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033392 502917246 /nfs/dbraw/zinc/91/72/46/502917246.db2.gz CRQHNYXXLDRHOK-AQNXPRMDSA-N 2 1 374.525 3.325 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000501033392 502917247 /nfs/dbraw/zinc/91/72/47/502917247.db2.gz CRQHNYXXLDRHOK-AQNXPRMDSA-N 2 1 374.525 3.325 20 0 FGADMP C[N@H+](CC(=O)NC1CCCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501062241 502925779 /nfs/dbraw/zinc/92/57/79/502925779.db2.gz HZNBHOYMKXXWJH-UHFFFAOYSA-N 2 1 358.530 3.069 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000513462401 502945926 /nfs/dbraw/zinc/94/59/26/502945926.db2.gz VLWYWHGOJONVHI-HXUWFJFHSA-N 2 1 357.542 3.002 20 0 FGADMP C(C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000489399842 502948601 /nfs/dbraw/zinc/94/86/01/502948601.db2.gz ZGMHMTPGPJNAOX-NHCUHLMSSA-N 2 1 350.547 3.162 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1Cl ZINC000505726498 502974139 /nfs/dbraw/zinc/97/41/39/502974139.db2.gz RTXIGTLNGWITMZ-CQSZACIVSA-N 2 1 372.340 3.482 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Cl)c1Cl ZINC000505726497 502974194 /nfs/dbraw/zinc/97/41/94/502974194.db2.gz RTXIGTLNGWITMZ-AWEZNQCLSA-N 2 1 372.340 3.482 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@@H+](C)Cc1ccccc1 ZINC000489528141 502980051 /nfs/dbraw/zinc/98/00/51/502980051.db2.gz ISHULCPQKYQNJV-MISYRCLQSA-N 2 1 360.546 3.069 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000501348658 502989717 /nfs/dbraw/zinc/98/97/17/502989717.db2.gz QBZZGSQTXQXGFB-NHCUHLMSSA-N 2 1 372.557 3.195 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000501348658 502989721 /nfs/dbraw/zinc/98/97/21/502989721.db2.gz QBZZGSQTXQXGFB-NHCUHLMSSA-N 2 1 372.557 3.195 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000513667601 502995643 /nfs/dbraw/zinc/99/56/43/502995643.db2.gz SMFQEXZLOYNPLV-XMTFNYHQSA-N 2 1 356.432 3.190 20 0 FGADMP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000513672839 502997678 /nfs/dbraw/zinc/99/76/78/502997678.db2.gz MRURYTRNUXNNCY-QHAWAJNXSA-N 2 1 357.542 3.182 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000489613658 502998736 /nfs/dbraw/zinc/99/87/36/502998736.db2.gz TVZKXLMJAALQSQ-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cnn(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000513696848 503002771 /nfs/dbraw/zinc/00/27/71/503002771.db2.gz FHMBURLOFSQZTO-YPAWHYETSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000501495853 503021451 /nfs/dbraw/zinc/02/14/51/503021451.db2.gz QAWHLOQQRWFCBS-PMACEKPBSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](C)[N@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000501495853 503021452 /nfs/dbraw/zinc/02/14/52/503021452.db2.gz QAWHLOQQRWFCBS-PMACEKPBSA-N 2 1 372.557 3.085 20 0 FGADMP C[C@H](CNC(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000501525092 503028498 /nfs/dbraw/zinc/02/84/98/503028498.db2.gz ZIQWEZPMWGYLGU-DLBZAZTESA-N 2 1 362.518 3.011 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489784563 503033757 /nfs/dbraw/zinc/03/37/57/503033757.db2.gz WOAFWZVKXJHKFE-GIVPXCGWSA-N 2 1 372.557 3.165 20 0 FGADMP CN(C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000489794124 503036167 /nfs/dbraw/zinc/03/61/67/503036167.db2.gz SHIYNOGLIPLBBS-HBMCJLEFSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)OCCO ZINC000489795876 503037173 /nfs/dbraw/zinc/03/71/73/503037173.db2.gz KTWZETFQISVKTI-QHAWAJNXSA-N 2 1 360.542 3.054 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000489810464 503040680 /nfs/dbraw/zinc/04/06/80/503040680.db2.gz XCVAUIKKKBPMIT-HZEGPAAWSA-N 2 1 372.557 3.069 20 0 FGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000501601539 503046901 /nfs/dbraw/zinc/04/69/01/503046901.db2.gz KRJGRTIUPMBBBL-NRFANRHFSA-N 2 1 370.541 3.163 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000510260149 503080372 /nfs/dbraw/zinc/08/03/72/503080372.db2.gz RRMPVNCOSCPJDJ-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000510260149 503080377 /nfs/dbraw/zinc/08/03/77/503080377.db2.gz RRMPVNCOSCPJDJ-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000510260149 503080383 /nfs/dbraw/zinc/08/03/83/503080383.db2.gz RRMPVNCOSCPJDJ-SESVDKBCSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc2)no1 ZINC000506382484 503106504 /nfs/dbraw/zinc/10/65/04/503106504.db2.gz RANAWNJEEULGEU-UHFFFAOYSA-N 2 1 358.486 3.262 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc2)no1 ZINC000506382484 503106506 /nfs/dbraw/zinc/10/65/06/503106506.db2.gz RANAWNJEEULGEU-UHFFFAOYSA-N 2 1 358.486 3.262 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000514186299 503107942 /nfs/dbraw/zinc/10/79/42/503107942.db2.gz JMKFPPMYGZBBOK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000514186299 503107945 /nfs/dbraw/zinc/10/79/45/503107945.db2.gz JMKFPPMYGZBBOK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000514186299 503107948 /nfs/dbraw/zinc/10/79/48/503107948.db2.gz JMKFPPMYGZBBOK-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)N2CCc3ccccc32)C1 ZINC000506471627 503121503 /nfs/dbraw/zinc/12/15/03/503121503.db2.gz FABZXACUJVLNHC-OALUTQOASA-N 2 1 355.526 3.162 20 0 FGADMP [NH3+][C@@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)c1ccccc1 ZINC000498176343 503124969 /nfs/dbraw/zinc/12/49/69/503124969.db2.gz MAGJMOFCBCZHPR-OAQYLSRUSA-N 2 1 363.505 3.201 20 0 FGADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2ccccc2)c2cncnc2)cc1 ZINC000514634009 503153570 /nfs/dbraw/zinc/15/35/70/503153570.db2.gz DNXGPKBKJFXCJL-QFIPXVFZSA-N 2 1 362.477 3.296 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000514664824 503161927 /nfs/dbraw/zinc/16/19/27/503161927.db2.gz WJDIGFZJSSWVMM-XPKDYRNWSA-N 2 1 362.499 3.077 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[N@H+]2CCCC[C@H]2C)c1 ZINC000490715457 503217409 /nfs/dbraw/zinc/21/74/09/503217409.db2.gz XBHYHGJLZHOAAI-QGZVFWFLSA-N 2 1 374.529 3.170 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCC3(CCCO3)CC2)c2cccs2)CC1 ZINC000514899976 503222466 /nfs/dbraw/zinc/22/24/66/503222466.db2.gz GFCCFVXYOPFYIZ-FDYSRKEFSA-N 2 1 363.571 3.118 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000502574459 503229655 /nfs/dbraw/zinc/22/96/55/503229655.db2.gz JOZJOXBJMXIWRC-VXKWHMMOSA-N 2 1 369.553 3.376 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)[C@H]2CCCCN12 ZINC000510999102 503233285 /nfs/dbraw/zinc/23/32/85/503233285.db2.gz ORCXAENYSFCWGU-CSEOROSGSA-N 2 1 367.537 3.030 20 0 FGADMP C[N@H+](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000502624492 503240488 /nfs/dbraw/zinc/24/04/88/503240488.db2.gz ZEZFZKSNFPRWAW-UHFFFAOYSA-N 2 1 366.509 3.263 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccccc1NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000502624492 503240491 /nfs/dbraw/zinc/24/04/91/503240491.db2.gz ZEZFZKSNFPRWAW-UHFFFAOYSA-N 2 1 366.509 3.263 20 0 FGADMP C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490962967 503252574 /nfs/dbraw/zinc/25/25/74/503252574.db2.gz WWQPTYKXKNUUGZ-XXBNENTESA-N 2 1 351.538 3.340 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000498898585 503286985 /nfs/dbraw/zinc/28/69/85/503286985.db2.gz COQQLIMUEWPXCF-GIVPXCGWSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498898585 503286989 /nfs/dbraw/zinc/28/69/89/503286989.db2.gz COQQLIMUEWPXCF-GIVPXCGWSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000498898585 503286995 /nfs/dbraw/zinc/28/69/95/503286995.db2.gz COQQLIMUEWPXCF-GIVPXCGWSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000502878765 503296232 /nfs/dbraw/zinc/29/62/32/503296232.db2.gz VMWOWHGOWJRTIP-IAGOWNOFSA-N 2 1 366.575 3.305 20 0 FGADMP CCC[N@H+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511380979 503310635 /nfs/dbraw/zinc/31/06/35/503310635.db2.gz STOWNMNQNRQREH-RBUKOAKNSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[N@@H+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511380979 503310636 /nfs/dbraw/zinc/31/06/36/503310636.db2.gz STOWNMNQNRQREH-RBUKOAKNSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000511380979 503310640 /nfs/dbraw/zinc/31/06/40/503310640.db2.gz STOWNMNQNRQREH-RBUKOAKNSA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000511380979 503310644 /nfs/dbraw/zinc/31/06/44/503310644.db2.gz STOWNMNQNRQREH-RBUKOAKNSA-N 2 1 353.938 3.033 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438046 503322014 /nfs/dbraw/zinc/32/20/14/503322014.db2.gz KUWFQEQXFYDRMP-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438046 503322019 /nfs/dbraw/zinc/32/20/19/503322019.db2.gz KUWFQEQXFYDRMP-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)C1CC1 ZINC000511438046 503322022 /nfs/dbraw/zinc/32/20/22/503322022.db2.gz KUWFQEQXFYDRMP-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000503079515 503342841 /nfs/dbraw/zinc/34/28/41/503342841.db2.gz FHMPFNHXOUGNFC-MRXNPFEDSA-N 2 1 355.404 3.136 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cc1ccccc1C(F)(F)F ZINC000503079515 503342845 /nfs/dbraw/zinc/34/28/45/503342845.db2.gz FHMPFNHXOUGNFC-MRXNPFEDSA-N 2 1 355.404 3.136 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C3CCC3)cc2)CC1 ZINC000515539861 503361070 /nfs/dbraw/zinc/36/10/70/503361070.db2.gz OKLLBMXPXFJOKF-UHFFFAOYSA-N 2 1 350.466 3.353 20 0 FGADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCc3c2c(F)ccc3F)c1 ZINC000507811754 503372262 /nfs/dbraw/zinc/37/22/62/503372262.db2.gz YCEOQANEBZPCEA-LJQANCHMSA-N 2 1 373.447 3.033 20 0 FGADMP CC(C)[NH+](CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F)C(C)C ZINC000492876002 503390402 /nfs/dbraw/zinc/39/04/02/503390402.db2.gz VBKVOTKFJCIJEV-UHFFFAOYSA-N 2 1 365.428 3.054 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000515811093 503406005 /nfs/dbraw/zinc/40/60/05/503406005.db2.gz OMYCLNHDIKUOBN-QAPCUYQASA-N 2 1 366.937 3.103 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000511924537 503417002 /nfs/dbraw/zinc/41/70/02/503417002.db2.gz VZIWYUZFYDMIFS-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987341 503429560 /nfs/dbraw/zinc/42/95/60/503429560.db2.gz DLAQUCHPPDNHJH-VQIMIIECSA-N 2 1 358.555 3.205 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000511987341 503429562 /nfs/dbraw/zinc/42/95/62/503429562.db2.gz DLAQUCHPPDNHJH-VQIMIIECSA-N 2 1 358.555 3.205 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000493911668 503456710 /nfs/dbraw/zinc/45/67/10/503456710.db2.gz HTIAVMXOZIBMKO-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935213 503461126 /nfs/dbraw/zinc/46/11/26/503461126.db2.gz HSAIJMIJOYPOCK-PGRDOPGGSA-N 2 1 366.505 3.391 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCc4ccccc4OC3)c2)CCO1 ZINC000493935213 503461129 /nfs/dbraw/zinc/46/11/29/503461129.db2.gz HSAIJMIJOYPOCK-PGRDOPGGSA-N 2 1 366.505 3.391 20 0 FGADMP c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CO2 ZINC000493962110 503466010 /nfs/dbraw/zinc/46/60/10/503466010.db2.gz SUWLGVWLICTMJO-NRFANRHFSA-N 2 1 352.478 3.002 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199878 503468585 /nfs/dbraw/zinc/46/85/85/503468585.db2.gz XSCOTVVIOLKSNP-XJKSGUPXSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199878 503468589 /nfs/dbraw/zinc/46/85/89/503468589.db2.gz XSCOTVVIOLKSNP-XJKSGUPXSA-N 2 1 372.294 3.453 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(I)c2)[C@@H](C)C1 ZINC000516199878 503468592 /nfs/dbraw/zinc/46/85/92/503468592.db2.gz XSCOTVVIOLKSNP-XJKSGUPXSA-N 2 1 372.294 3.453 20 0 FGADMP Cc1ccc(SCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000516207828 503470743 /nfs/dbraw/zinc/47/07/43/503470743.db2.gz PZZZIMQAPOKZGS-UHFFFAOYSA-N 2 1 370.522 3.181 20 0 FGADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000508365755 503483058 /nfs/dbraw/zinc/48/30/58/503483058.db2.gz CUMDAIZNZBTLFI-FSZRXZPDSA-N 2 1 351.922 3.320 20 0 FGADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000508365755 503483064 /nfs/dbraw/zinc/48/30/64/503483064.db2.gz CUMDAIZNZBTLFI-FSZRXZPDSA-N 2 1 351.922 3.320 20 0 FGADMP CCC(CC)CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000516267731 503486072 /nfs/dbraw/zinc/48/60/72/503486072.db2.gz LERDLUOOUHKQOS-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccccc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000608013373 506376319 /nfs/dbraw/zinc/37/63/19/506376319.db2.gz ARTOXFFNMWLPAM-NHCUHLMSSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[NH+]2C2CC2)cc1 ZINC000494326220 503526093 /nfs/dbraw/zinc/52/60/93/503526093.db2.gz GLMMJXRNJQEAJS-LAUBAEHRSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000494326220 503526096 /nfs/dbraw/zinc/52/60/96/503526096.db2.gz GLMMJXRNJQEAJS-LAUBAEHRSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1 ZINC000494326220 503526098 /nfs/dbraw/zinc/52/60/98/503526098.db2.gz GLMMJXRNJQEAJS-LAUBAEHRSA-N 2 1 355.526 3.304 20 0 FGADMP Cc1ccccc1CCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000504207911 503538518 /nfs/dbraw/zinc/53/85/18/503538518.db2.gz OIYWINXXIXGMFX-FQEVSTJZSA-N 2 1 352.526 3.305 20 0 FGADMP C[C@H](Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700188 503546013 /nfs/dbraw/zinc/54/60/13/503546013.db2.gz SHVUAJOZNOQXIK-ICSRJNTNSA-N 2 1 366.509 3.241 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[N@@H+](C)CC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422848 503546311 /nfs/dbraw/zinc/54/63/11/503546311.db2.gz BEGCAIAJHJZCPF-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C)CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422848 503546313 /nfs/dbraw/zinc/54/63/13/503546313.db2.gz BEGCAIAJHJZCPF-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CC[NH+](C)CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422848 503546316 /nfs/dbraw/zinc/54/63/16/503546316.db2.gz BEGCAIAJHJZCPF-SBHAEUEKSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702655 503547338 /nfs/dbraw/zinc/54/73/38/503547338.db2.gz WEPCCNRESVAODB-NXLVEIQXSA-N 2 1 373.585 3.374 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000512444551 503553210 /nfs/dbraw/zinc/55/32/10/503553210.db2.gz PVGFUFQEGVNYNR-QFIPXVFZSA-N 2 1 359.558 3.085 20 0 FGADMP C[C@H]1[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000500113460 503557065 /nfs/dbraw/zinc/55/70/65/503557065.db2.gz VCFVUVWWBDYDBC-VWEINGBSSA-N 2 1 372.557 3.069 20 0 FGADMP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)CC1 ZINC000494601110 503572389 /nfs/dbraw/zinc/57/23/89/503572389.db2.gz JOKXBYLCFCAWKB-OAQYLSRUSA-N 2 1 355.526 3.162 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000508849431 503576605 /nfs/dbraw/zinc/57/66/05/503576605.db2.gz BTTUVBLZRJOGQG-IZBJGVDFSA-N 2 1 360.546 3.192 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2conc2Cc2ccccc2)C1 ZINC000508862154 503581675 /nfs/dbraw/zinc/58/16/75/503581675.db2.gz WATHXBTUJSXDNK-HXUWFJFHSA-N 2 1 357.498 3.198 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890670 503590241 /nfs/dbraw/zinc/59/02/41/503590241.db2.gz KCFWNYCJODIBAD-GOEBONIOSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890670 503590245 /nfs/dbraw/zinc/59/02/45/503590245.db2.gz KCFWNYCJODIBAD-GOEBONIOSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2Br)[C@@H](C)C1 ZINC000508890670 503590250 /nfs/dbraw/zinc/59/02/50/503590250.db2.gz KCFWNYCJODIBAD-GOEBONIOSA-N 2 1 355.320 3.490 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)ccn1 ZINC000512614155 503595218 /nfs/dbraw/zinc/59/52/18/503595218.db2.gz UYHJVGNOFFZHKM-QHAWAJNXSA-N 2 1 351.494 3.481 20 0 FGADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601866 /nfs/dbraw/zinc/60/18/66/503601866.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601868 /nfs/dbraw/zinc/60/18/68/503601868.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601872 /nfs/dbraw/zinc/60/18/72/503601872.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601877 /nfs/dbraw/zinc/60/18/77/503601877.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 2 1 353.554 3.359 20 0 FGADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512642491 503601880 /nfs/dbraw/zinc/60/18/80/503601880.db2.gz QDXYFIFXHXBJQO-YKGPHTRDSA-N 2 1 353.554 3.359 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000516860850 503602732 /nfs/dbraw/zinc/60/27/32/503602732.db2.gz SCRGJYSYBDUBFG-HXUWFJFHSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](c1ccc(NC(=O)NCC2([NH3+])CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000516914521 503617232 /nfs/dbraw/zinc/61/72/32/503617232.db2.gz GMBPXNVFLSGANV-QGZVFWFLSA-N 2 1 374.529 3.253 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000500439236 503625764 /nfs/dbraw/zinc/62/57/64/503625764.db2.gz INCPOYCEVYVKHW-OAQYLSRUSA-N 2 1 354.494 3.114 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000512810036 503636883 /nfs/dbraw/zinc/63/68/83/503636883.db2.gz OZMHSWLOIVHQMG-IAGOWNOFSA-N 2 1 360.452 3.484 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000512810036 503636886 /nfs/dbraw/zinc/63/68/86/503636886.db2.gz OZMHSWLOIVHQMG-IAGOWNOFSA-N 2 1 360.452 3.484 20 0 FGADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)nn1 ZINC000517093001 503665930 /nfs/dbraw/zinc/66/59/30/503665930.db2.gz NTXRKFBGYYCXAF-INIZCTEOSA-N 2 1 360.531 3.078 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529719656 503679089 /nfs/dbraw/zinc/67/90/89/503679089.db2.gz NWELTCUUFSGFAQ-JOCHJYFZSA-N 2 1 369.553 3.422 20 0 FGADMP CCOCCCN1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000540137805 503685169 /nfs/dbraw/zinc/68/51/69/503685169.db2.gz RDPOVVOIZXUWED-DENIHFKCSA-N 2 1 374.573 3.025 20 0 FGADMP CC[C@@H](O)[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990408 503691740 /nfs/dbraw/zinc/69/17/40/503691740.db2.gz CVHNEGVOJJPVBD-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@@H](O)[C@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990408 503691743 /nfs/dbraw/zinc/69/17/43/503691743.db2.gz CVHNEGVOJJPVBD-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990408 503691747 /nfs/dbraw/zinc/69/17/47/503691747.db2.gz CVHNEGVOJJPVBD-FXELSEDVSA-N 2 1 354.579 3.408 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H](C)C1 ZINC000536827532 503733807 /nfs/dbraw/zinc/73/38/07/503733807.db2.gz PKAMZAHIRJPZKK-ICSRJNTNSA-N 2 1 356.514 3.099 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)CCC3)cc1 ZINC000546575395 503793689 /nfs/dbraw/zinc/79/36/89/503793689.db2.gz PXSUMGNLFWNLNV-JXFKEZNVSA-N 2 1 357.523 3.152 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)CCC3)cc1 ZINC000546575395 503793694 /nfs/dbraw/zinc/79/36/94/503793694.db2.gz PXSUMGNLFWNLNV-JXFKEZNVSA-N 2 1 357.523 3.152 20 0 FGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000540593406 503827175 /nfs/dbraw/zinc/82/71/75/503827175.db2.gz FLUPBIRXQUYGMH-JKSUJKDBSA-N 2 1 357.498 3.233 20 0 FGADMP CCc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000540593406 503827177 /nfs/dbraw/zinc/82/71/77/503827177.db2.gz FLUPBIRXQUYGMH-JKSUJKDBSA-N 2 1 357.498 3.233 20 0 FGADMP Cc1nc(C)c(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)s1 ZINC000533395346 503828878 /nfs/dbraw/zinc/82/88/78/503828878.db2.gz QYERAJTVYKIKCW-UHFFFAOYSA-N 2 1 374.554 3.023 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000533408103 503835039 /nfs/dbraw/zinc/83/50/39/503835039.db2.gz MDGXRCCXWKUBSE-OAQYLSRUSA-N 2 1 357.542 3.232 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293538 503871513 /nfs/dbraw/zinc/87/15/13/503871513.db2.gz WAKVCMYSRBYSSS-ZIAGYGMSSA-N 2 1 363.889 3.324 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293538 503871518 /nfs/dbraw/zinc/87/15/18/503871518.db2.gz WAKVCMYSRBYSSS-ZIAGYGMSSA-N 2 1 363.889 3.324 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218982 503881544 /nfs/dbraw/zinc/88/15/44/503881544.db2.gz KLFNDTBKENKJGH-DOMZBBRYSA-N 2 1 371.403 3.177 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)Nc1ccc(Cl)c(F)c1 ZINC000530223149 503881635 /nfs/dbraw/zinc/88/16/35/503881635.db2.gz NIEHTZAPBWHXCW-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)c(F)c1 ZINC000530221536 503882270 /nfs/dbraw/zinc/88/22/70/503882270.db2.gz GEDXJXKGXMHENA-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP COc1cccc([C@@H]2C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2(C)C)c1 ZINC000530231701 503885078 /nfs/dbraw/zinc/88/50/78/503885078.db2.gz SUDYMVRAUKJDLD-FKBYEOEOSA-N 2 1 368.521 3.052 20 0 FGADMP Fc1ccc(Br)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239233 503887977 /nfs/dbraw/zinc/88/79/77/503887977.db2.gz FSEFEFHMIQLRMO-MRXNPFEDSA-N 2 1 371.294 3.179 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H]1C1CCOCC1)C[N@H+]1CCC[C@H]1C1CCOCC1 ZINC000540827013 503906884 /nfs/dbraw/zinc/90/68/84/503906884.db2.gz QGVSQJSBMDTELV-FJPGZJACSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H]1C1CCOCC1)C[N@@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540827013 503906888 /nfs/dbraw/zinc/90/68/88/503906888.db2.gz QGVSQJSBMDTELV-FJPGZJACSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H]1C1CCOCC1)C[N@H+]1CCC[C@@H]1C1CCOCC1 ZINC000540827013 503906891 /nfs/dbraw/zinc/90/68/91/503906891.db2.gz QGVSQJSBMDTELV-FJPGZJACSA-N 2 1 364.574 3.405 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)CC1 ZINC000543910046 503938148 /nfs/dbraw/zinc/93/81/48/503938148.db2.gz JIKVFFYJJBFWFW-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C[NH+]1CCCC1 ZINC000518296864 503946814 /nfs/dbraw/zinc/94/68/14/503946814.db2.gz CNKJQPRGPINILT-AZUAARDMSA-N 2 1 364.578 3.062 20 0 FGADMP CN(C)c1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000537622810 503980556 /nfs/dbraw/zinc/98/05/56/503980556.db2.gz LYUDFYIHLIFOPS-UHFFFAOYSA-N 2 1 372.601 3.381 20 0 FGADMP CN(C)c1ccccc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537622810 503980559 /nfs/dbraw/zinc/98/05/59/503980559.db2.gz LYUDFYIHLIFOPS-UHFFFAOYSA-N 3 1 372.601 3.381 20 0 FGADMP CN(C)c1ccccc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000537622810 503980566 /nfs/dbraw/zinc/98/05/66/503980566.db2.gz LYUDFYIHLIFOPS-UHFFFAOYSA-N 3 1 372.601 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000537647408 503990941 /nfs/dbraw/zinc/99/09/41/503990941.db2.gz LAWBKTUKQZZPBU-NRFANRHFSA-N 3 1 372.601 3.382 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+](CC)CC)C2)CC1 ZINC000537647408 503990945 /nfs/dbraw/zinc/99/09/45/503990945.db2.gz LAWBKTUKQZZPBU-NRFANRHFSA-N 3 1 372.601 3.382 20 0 FGADMP CCOc1cccc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000537658912 503993977 /nfs/dbraw/zinc/99/39/77/503993977.db2.gz CNBOKXLBPORYFQ-HDICACEKSA-N 2 1 361.530 3.192 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCC4(CCCC4)O3)CC2)C[C@H](C)O1 ZINC000530516659 503995970 /nfs/dbraw/zinc/99/59/70/503995970.db2.gz GXGORJJQGOZYRO-WSTZPKSXSA-N 2 1 350.547 3.299 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)CC2)c1 ZINC000537680158 504003083 /nfs/dbraw/zinc/00/30/83/504003083.db2.gz HCIWZVXDANAVFW-HXUWFJFHSA-N 2 1 358.526 3.410 20 0 FGADMP CC(C)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(=O)N1CCCC1 ZINC000528016723 504041374 /nfs/dbraw/zinc/04/13/74/504041374.db2.gz UTXADYRAPZVRMQ-PWRODBHTSA-N 2 1 369.553 3.135 20 0 FGADMP COc1ccccc1/C=C/C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518748305 504054173 /nfs/dbraw/zinc/05/41/73/504054173.db2.gz KPUWWKYHDZUSTK-MEQKGCOVSA-N 2 1 371.550 3.348 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)C1CCOCC1 ZINC000518784204 504063220 /nfs/dbraw/zinc/06/32/20/504063220.db2.gz URRHRNFUGUJJTF-DENIHFKCSA-N 2 1 372.553 3.320 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000528112369 504076222 /nfs/dbraw/zinc/07/62/22/504076222.db2.gz FZEHVGFUILKWKU-TUNNFDKTSA-N 2 1 369.553 3.135 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000528112369 504076225 /nfs/dbraw/zinc/07/62/25/504076225.db2.gz FZEHVGFUILKWKU-TUNNFDKTSA-N 2 1 369.553 3.135 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000528112369 504076227 /nfs/dbraw/zinc/07/62/27/504076227.db2.gz FZEHVGFUILKWKU-TUNNFDKTSA-N 2 1 369.553 3.135 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000537963110 504096954 /nfs/dbraw/zinc/09/69/54/504096954.db2.gz ZATUDMDDWNQHHQ-ZVZYQTTQSA-N 2 1 358.448 3.176 20 0 FGADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000547475688 504119534 /nfs/dbraw/zinc/11/95/34/504119534.db2.gz QFKWELXWVZINKF-MRXNPFEDSA-N 2 1 357.498 3.441 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508735 504131809 /nfs/dbraw/zinc/13/18/09/504131809.db2.gz IPBXTCLLZORBFH-ARXXEPJESA-N 2 1 357.542 3.180 20 0 FGADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000528284343 504146295 /nfs/dbraw/zinc/14/62/95/504146295.db2.gz AYZBRZHMUFSQCV-HXUWFJFHSA-N 2 1 362.562 3.100 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000528287202 504148929 /nfs/dbraw/zinc/14/89/29/504148929.db2.gz IJTIQBZSPFYWLZ-FQEVSTJZSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)c1ccccc1 ZINC000538203724 504161340 /nfs/dbraw/zinc/16/13/40/504161340.db2.gz OXCVVYJEHNUOBQ-OALUTQOASA-N 2 1 351.494 3.243 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000541541841 504170944 /nfs/dbraw/zinc/17/09/44/504170944.db2.gz KSCZZVKUPJCWRH-VSKRKVRLSA-N 2 1 359.558 3.085 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000531061928 504174597 /nfs/dbraw/zinc/17/45/97/504174597.db2.gz AQEHPZLORWZDKB-IBGZPJMESA-N 2 1 353.510 3.145 20 0 FGADMP CC1CCC(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000541580145 504186355 /nfs/dbraw/zinc/18/63/55/504186355.db2.gz SUCJAHYENWZYJX-REPIYIIUSA-N 2 1 352.563 3.403 20 0 FGADMP CC1CCC(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000541580145 504186363 /nfs/dbraw/zinc/18/63/63/504186363.db2.gz SUCJAHYENWZYJX-REPIYIIUSA-N 2 1 352.563 3.403 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000538353254 504218127 /nfs/dbraw/zinc/21/81/27/504218127.db2.gz GGJNEKJGNUQQEZ-NRFANRHFSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000538353254 504218134 /nfs/dbraw/zinc/21/81/34/504218134.db2.gz GGJNEKJGNUQQEZ-NRFANRHFSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](C(C)C)C3)CC2)cc1 ZINC000538353254 504218136 /nfs/dbraw/zinc/21/81/36/504218136.db2.gz GGJNEKJGNUQQEZ-NRFANRHFSA-N 2 1 357.542 3.007 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000528425535 504218691 /nfs/dbraw/zinc/21/86/91/504218691.db2.gz WQPWTXVRWFFUJM-IBGZPJMESA-N 2 1 363.933 3.105 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000528425535 504218694 /nfs/dbraw/zinc/21/86/94/504218694.db2.gz WQPWTXVRWFFUJM-IBGZPJMESA-N 2 1 363.933 3.105 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]CC2CCCCCC2)c1 ZINC000531251090 504242985 /nfs/dbraw/zinc/24/29/85/504242985.db2.gz ZZFQODXCVAWOPY-UHFFFAOYSA-N 2 1 373.541 3.407 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800317 504257970 /nfs/dbraw/zinc/25/79/70/504257970.db2.gz WUPGOEHIUKIQBD-XMSQKQJNSA-N 2 1 365.521 3.105 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600744 504269611 /nfs/dbraw/zinc/26/96/11/504269611.db2.gz PPFMTCCLKOTYNL-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000519600744 504269613 /nfs/dbraw/zinc/26/96/13/504269613.db2.gz PPFMTCCLKOTYNL-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cc1 ZINC000528596576 504289172 /nfs/dbraw/zinc/28/91/72/504289172.db2.gz YVTBFCWHWOMLJN-UHFFFAOYSA-N 2 1 357.542 3.339 20 0 FGADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963660 504294845 /nfs/dbraw/zinc/29/48/45/504294845.db2.gz HJBXEFYZXFJICY-RTBURBONSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1OC ZINC000519907069 504380287 /nfs/dbraw/zinc/38/02/87/504380287.db2.gz IPLOFDYZHKLKAX-QGZVFWFLSA-N 2 1 373.541 3.211 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1OC ZINC000519907069 504380288 /nfs/dbraw/zinc/38/02/88/504380288.db2.gz IPLOFDYZHKLKAX-QGZVFWFLSA-N 2 1 373.541 3.211 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H](C)C1 ZINC000531738240 504408506 /nfs/dbraw/zinc/40/85/06/504408506.db2.gz BJHLGTQCLLMNSI-QAPCUYQASA-N 2 1 356.457 3.070 20 0 FGADMP c1cc(N[C@@H]2CCC[C@H]2C2CC2)cc2nc(CCN3CCOCC3)[nH]c12 ZINC000545242245 504412009 /nfs/dbraw/zinc/41/20/09/504412009.db2.gz RCBFXOGKAQRETO-ZWKOTPCHSA-N 2 1 354.498 3.428 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000520242379 504444234 /nfs/dbraw/zinc/44/42/34/504444234.db2.gz LDBWXVXNMDBQRJ-HKUYNNGSSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000520242379 504444243 /nfs/dbraw/zinc/44/42/43/504444243.db2.gz LDBWXVXNMDBQRJ-HKUYNNGSSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000520242379 504444250 /nfs/dbraw/zinc/44/42/50/504444250.db2.gz LDBWXVXNMDBQRJ-HKUYNNGSSA-N 2 1 352.567 3.061 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000548483918 504462783 /nfs/dbraw/zinc/46/27/83/504462783.db2.gz BAKZPPIXDRRGOB-GHTZIAJQSA-N 2 1 369.509 3.107 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000539079146 504466268 /nfs/dbraw/zinc/46/62/68/504466268.db2.gz JBSITVWKCCKCQY-UKRRQHHQSA-N 2 1 368.319 3.016 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2cc[nH]c21 ZINC000548507108 504471032 /nfs/dbraw/zinc/47/10/32/504471032.db2.gz STOVQALGIJYSII-QGZVFWFLSA-N 2 1 357.502 3.048 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3ccccc3C2)c2cccs2)CC1 ZINC000531932296 504478839 /nfs/dbraw/zinc/47/88/39/504478839.db2.gz FBOVOYRAXRQZLF-UXHICEINSA-N 2 1 355.551 3.184 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](Cc3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000539149878 504488530 /nfs/dbraw/zinc/48/85/30/504488530.db2.gz SKGOMTZPYNDDAC-IRXDYDNUSA-N 2 1 366.933 3.430 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980889 504494773 /nfs/dbraw/zinc/49/47/73/504494773.db2.gz BVDAQLRFKDGGCC-YDHLFZDLSA-N 2 1 353.894 3.138 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980889 504494777 /nfs/dbraw/zinc/49/47/77/504494777.db2.gz BVDAQLRFKDGGCC-YDHLFZDLSA-N 2 1 353.894 3.138 20 0 FGADMP C[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681154 504506347 /nfs/dbraw/zinc/50/63/47/504506347.db2.gz OTOQVJMEMTVKIQ-FQEVSTJZSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCC(n2nccc2NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548715159 504538247 /nfs/dbraw/zinc/53/82/47/504538247.db2.gz WKWLGEQHLJFOLH-UHFFFAOYSA-N 2 1 361.534 3.133 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3CC[N@H+]3C3CCCC3)ccc21 ZINC000529116503 504540802 /nfs/dbraw/zinc/54/08/02/504540802.db2.gz YJIOQESWUMZJTF-QUCCMNQESA-N 2 1 356.514 3.374 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000520622069 504542917 /nfs/dbraw/zinc/54/29/17/504542917.db2.gz SCTICMKNSFQRNT-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@@H](C)O1 ZINC000539394141 504554410 /nfs/dbraw/zinc/55/44/10/504554410.db2.gz OBIJWZLYRDEXHZ-CBGDNZLLSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000539394142 504554478 /nfs/dbraw/zinc/55/44/78/504554478.db2.gz OBIJWZLYRDEXHZ-FVJLSDCUSA-N 2 1 374.504 3.128 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ccn(C)n2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000539394142 504554481 /nfs/dbraw/zinc/55/44/81/504554481.db2.gz OBIJWZLYRDEXHZ-FVJLSDCUSA-N 2 1 374.504 3.128 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000520794947 504584279 /nfs/dbraw/zinc/58/42/79/504584279.db2.gz MGRWWJARXIMDHM-GUDVDZBRSA-N 2 1 351.579 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529284148 504619276 /nfs/dbraw/zinc/61/92/76/504619276.db2.gz CROSVSITDKYWBH-FXAWDEMLSA-N 2 1 370.541 3.145 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000536100490 504634080 /nfs/dbraw/zinc/63/40/80/504634080.db2.gz VLZWVIKUPROHPL-JYRKZWEQSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000536100490 504634085 /nfs/dbraw/zinc/63/40/85/504634085.db2.gz VLZWVIKUPROHPL-JYRKZWEQSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000536100490 504634088 /nfs/dbraw/zinc/63/40/88/504634088.db2.gz VLZWVIKUPROHPL-JYRKZWEQSA-N 2 1 372.557 3.099 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170750 504656457 /nfs/dbraw/zinc/65/64/57/504656457.db2.gz GUSIMWBNAULPDV-SFTDATJTSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170750 504656465 /nfs/dbraw/zinc/65/64/65/504656465.db2.gz GUSIMWBNAULPDV-SFTDATJTSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170750 504656472 /nfs/dbraw/zinc/65/64/72/504656472.db2.gz GUSIMWBNAULPDV-SFTDATJTSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000529401748 504657283 /nfs/dbraw/zinc/65/72/83/504657283.db2.gz FKJOENVBDMJXDR-RTBURBONSA-N 2 1 366.509 3.089 20 0 FGADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCc2nc[nH]c2C1 ZINC000529401748 504657286 /nfs/dbraw/zinc/65/72/86/504657286.db2.gz FKJOENVBDMJXDR-RTBURBONSA-N 2 1 366.509 3.089 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)CN(Cc3ccco3)C(C)C)CC2)c1 ZINC000521198651 504675814 /nfs/dbraw/zinc/67/58/14/504675814.db2.gz SPXCCBMHEGIEAG-UHFFFAOYSA-N 2 1 369.509 3.143 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000521221173 504684407 /nfs/dbraw/zinc/68/44/07/504684407.db2.gz SKUNEWMBWBCRHD-KRWDZBQOSA-N 2 1 366.303 3.448 20 0 FGADMP C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000546050975 504688916 /nfs/dbraw/zinc/68/89/16/504688916.db2.gz BVMDVDKDHJPWOX-AZUAARDMSA-N 2 1 365.525 3.211 20 0 FGADMP C[C@H](Nc1cc[nH+]c(N2CCCCC2)n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000546050975 504688919 /nfs/dbraw/zinc/68/89/19/504688919.db2.gz BVMDVDKDHJPWOX-AZUAARDMSA-N 2 1 365.525 3.211 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299858 504691053 /nfs/dbraw/zinc/69/10/53/504691053.db2.gz WOVAVDGKBCKJJY-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299858 504691059 /nfs/dbraw/zinc/69/10/59/504691059.db2.gz WOVAVDGKBCKJJY-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299858 504691064 /nfs/dbraw/zinc/69/10/64/504691064.db2.gz WOVAVDGKBCKJJY-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000536299858 504691069 /nfs/dbraw/zinc/69/10/69/504691069.db2.gz WOVAVDGKBCKJJY-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CC1(C)CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000532616067 504711688 /nfs/dbraw/zinc/71/16/88/504711688.db2.gz RDXQWBGXIHEISH-WOJBJXKFSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC(F)(F)C1 ZINC000529534756 504718479 /nfs/dbraw/zinc/71/84/79/504718479.db2.gz OYLFYKUKCQELDL-QFBILLFUSA-N 2 1 351.485 3.389 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]3COCC[C@@H]32)CC1 ZINC000539890772 504731990 /nfs/dbraw/zinc/73/19/90/504731990.db2.gz MMINEEQLQZNTHB-UNMCSNQZSA-N 2 1 357.542 3.220 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2ccncc2)c1 ZINC000539895578 504732727 /nfs/dbraw/zinc/73/27/27/504732727.db2.gz FBWWEMAMNUSEFI-BHIFYINESA-N 2 1 351.494 3.432 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000532696951 504738019 /nfs/dbraw/zinc/73/80/19/504738019.db2.gz ULUWTGVBHNOUCN-FQEVSTJZSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532696951 504738021 /nfs/dbraw/zinc/73/80/21/504738021.db2.gz ULUWTGVBHNOUCN-FQEVSTJZSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532696951 504738023 /nfs/dbraw/zinc/73/80/23/504738023.db2.gz ULUWTGVBHNOUCN-FQEVSTJZSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@@H+](C)[C@H](C)[C@H]3C)c2c1C ZINC000540026477 504762169 /nfs/dbraw/zinc/76/21/69/504762169.db2.gz FDEAXOWIJAWWLL-HUUCEWRRSA-N 2 1 373.570 3.433 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[N@H+](C)[C@H](C)[C@H]3C)c2c1C ZINC000540026477 504762170 /nfs/dbraw/zinc/76/21/70/504762170.db2.gz FDEAXOWIJAWWLL-HUUCEWRRSA-N 2 1 373.570 3.433 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1)CC1CC1 ZINC000540049396 504766095 /nfs/dbraw/zinc/76/60/95/504766095.db2.gz MCZFNGPRYQUACT-MRXNPFEDSA-N 2 1 362.518 3.144 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)no2)CC1)CC1CC1 ZINC000540049396 504766097 /nfs/dbraw/zinc/76/60/97/504766097.db2.gz MCZFNGPRYQUACT-MRXNPFEDSA-N 2 1 362.518 3.144 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000556120679 504801567 /nfs/dbraw/zinc/80/15/67/504801567.db2.gz WNNAWYQGHCDKBA-UYAOXDASSA-N 2 1 368.477 3.407 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000556120679 504801568 /nfs/dbraw/zinc/80/15/68/504801568.db2.gz WNNAWYQGHCDKBA-UYAOXDASSA-N 2 1 368.477 3.407 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cccc4[nH]ccc43)CC2)CC1 ZINC000553085385 504823672 /nfs/dbraw/zinc/82/36/72/504823672.db2.gz VSAYEEZNOIUZQW-UHFFFAOYSA-N 2 1 354.498 3.303 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000562451474 504824899 /nfs/dbraw/zinc/82/48/99/504824899.db2.gz VCYDICUGDVXZHK-FQEVSTJZSA-N 2 1 369.509 3.147 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549590457 504856087 /nfs/dbraw/zinc/85/60/87/504856087.db2.gz HMOUFKPKUMRWJR-HXUWFJFHSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C[NH+]1CCC[C@](CO)(C(C)C)C1)C[N@H+]1CCC[C@](CO)(C(C)C)C1 ZINC000559424517 504859353 /nfs/dbraw/zinc/85/93/53/504859353.db2.gz IXUIAZMPPRXKHY-VXKWHMMOSA-N 2 1 368.606 3.084 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000562567651 504861527 /nfs/dbraw/zinc/86/15/27/504861527.db2.gz ABBKLKSBNDPDDM-HDICACEKSA-N 2 1 374.529 3.206 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000562567651 504861528 /nfs/dbraw/zinc/86/15/28/504861528.db2.gz ABBKLKSBNDPDDM-HDICACEKSA-N 2 1 374.529 3.206 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](c3ccccc3)C3CC3)CC2)CC1 ZINC000553268478 504869296 /nfs/dbraw/zinc/86/92/96/504869296.db2.gz NHPPDKMGBMXWTM-QFIPXVFZSA-N 2 1 369.553 3.450 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000553448643 504917649 /nfs/dbraw/zinc/91/76/49/504917649.db2.gz JADDPRZASXKQJB-IYWMVGAKSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732272 504917713 /nfs/dbraw/zinc/91/77/13/504917713.db2.gz FKDSTQSCDWRBBA-FGZHOGPDSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732272 504917716 /nfs/dbraw/zinc/91/77/16/504917716.db2.gz FKDSTQSCDWRBBA-FGZHOGPDSA-N 2 1 361.493 3.252 20 0 FGADMP Cc1ncccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549881840 504924098 /nfs/dbraw/zinc/92/40/98/504924098.db2.gz AJBQZJUGUFUXME-QFIPXVFZSA-N 2 1 365.521 3.408 20 0 FGADMP Cc1ccccc1[C@@H](OC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000565594566 504932833 /nfs/dbraw/zinc/93/28/33/504932833.db2.gz XNKPAJLREAWCAN-GMAHTHKFSA-N 2 1 368.521 3.146 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652273 504949752 /nfs/dbraw/zinc/94/97/52/504949752.db2.gz DKCKBMVHJAZSPQ-ZIAGYGMSSA-N 2 1 361.313 3.055 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550150348 504979163 /nfs/dbraw/zinc/97/91/63/504979163.db2.gz KYSMKNGDHAPFNL-GOSISDBHSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000550150348 504979165 /nfs/dbraw/zinc/97/91/65/504979165.db2.gz KYSMKNGDHAPFNL-GOSISDBHSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000550150348 504979170 /nfs/dbraw/zinc/97/91/70/504979170.db2.gz KYSMKNGDHAPFNL-GOSISDBHSA-N 2 1 361.505 3.125 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000550150348 504979175 /nfs/dbraw/zinc/97/91/75/504979175.db2.gz KYSMKNGDHAPFNL-GOSISDBHSA-N 2 1 361.505 3.125 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000556813530 504982284 /nfs/dbraw/zinc/98/22/84/504982284.db2.gz NTDVPGXXAGWRLI-UHFFFAOYSA-N 2 1 372.601 3.251 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877591 505003844 /nfs/dbraw/zinc/00/38/44/505003844.db2.gz HNROKGJRKKYUAU-ICSRJNTNSA-N 2 1 361.493 3.440 20 0 FGADMP C[C@@H](CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@H]1C ZINC000553770715 505004828 /nfs/dbraw/zinc/00/48/28/505004828.db2.gz WBAPEGYHLCWJNO-MSOLQXFVSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@H]1C ZINC000553770715 505004831 /nfs/dbraw/zinc/00/48/31/505004831.db2.gz WBAPEGYHLCWJNO-MSOLQXFVSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@H]1C ZINC000553770715 505004835 /nfs/dbraw/zinc/00/48/35/505004835.db2.gz WBAPEGYHLCWJNO-MSOLQXFVSA-N 2 1 364.534 3.006 20 0 FGADMP Cc1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000556916893 505016013 /nfs/dbraw/zinc/01/60/13/505016013.db2.gz WWXKFCKJESGOJG-GOSISDBHSA-N 2 1 367.484 3.197 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000557032536 505048825 /nfs/dbraw/zinc/04/88/25/505048825.db2.gz HZNNJGWTHYAIER-HNNXBMFYSA-N 2 1 367.921 3.483 20 0 FGADMP C[NH2+]CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000563152509 505061897 /nfs/dbraw/zinc/06/18/97/505061897.db2.gz BHBWCZLMTJXSNF-KRWDZBQOSA-N 2 1 370.324 3.420 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000557194189 505090084 /nfs/dbraw/zinc/09/00/84/505090084.db2.gz ZWVCNQNDUWEBRI-KXBFYZLASA-N 2 1 369.513 3.319 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000557226460 505095777 /nfs/dbraw/zinc/09/57/77/505095777.db2.gz WPBPPOBVRZXEQT-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]([NH3+])Cc2ccccc2)[C@H]1c1cccs1 ZINC000566185392 505106813 /nfs/dbraw/zinc/10/68/13/505106813.db2.gz BOLZCCGXIVGVRC-OPYAIIAOSA-N 2 1 371.550 3.207 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(F)(F)F ZINC000566216126 505113359 /nfs/dbraw/zinc/11/33/59/505113359.db2.gz OYNDECPJCKUCEI-IKGGRYGDSA-N 2 1 356.432 3.475 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](O)C(F)(F)F ZINC000566216126 505113361 /nfs/dbraw/zinc/11/33/61/505113361.db2.gz OYNDECPJCKUCEI-IKGGRYGDSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000550886557 505120754 /nfs/dbraw/zinc/12/07/54/505120754.db2.gz HMCFIZLOOWAUDF-QZTJIDSGSA-N 2 1 355.530 3.423 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000560544127 505120731 /nfs/dbraw/zinc/12/07/31/505120731.db2.gz FFGWZPVBLHKWSR-FSSWDIPSSA-N 2 1 358.526 3.345 20 0 FGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244292 505121641 /nfs/dbraw/zinc/12/16/41/505121641.db2.gz QLUZZZJKGMUDKZ-UFYCRDLUSA-N 2 1 357.542 3.253 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)c1ccco1 ZINC000554252192 505125330 /nfs/dbraw/zinc/12/53/30/505125330.db2.gz GXNGDLMZCCGBQT-RCCFBDPRSA-N 2 1 364.534 3.273 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460189 505140470 /nfs/dbraw/zinc/14/04/70/505140470.db2.gz UAYLCCBDSJEBIY-ZIFCJYIRSA-N 2 1 355.482 3.100 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460189 505140476 /nfs/dbraw/zinc/14/04/76/505140476.db2.gz UAYLCCBDSJEBIY-ZIFCJYIRSA-N 2 1 355.482 3.100 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070114 505151974 /nfs/dbraw/zinc/15/19/74/505151974.db2.gz TXYYTGWGJBVSOE-ZVDOUQERSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070114 505151976 /nfs/dbraw/zinc/15/19/76/505151976.db2.gz TXYYTGWGJBVSOE-ZVDOUQERSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1CN1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070114 505151980 /nfs/dbraw/zinc/15/19/80/505151980.db2.gz TXYYTGWGJBVSOE-ZVDOUQERSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070114 505151982 /nfs/dbraw/zinc/15/19/82/505151982.db2.gz TXYYTGWGJBVSOE-ZVDOUQERSA-N 2 1 351.579 3.071 20 0 FGADMP CC(C)N1CCCC[C@H]1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000551070114 505151986 /nfs/dbraw/zinc/15/19/86/505151986.db2.gz TXYYTGWGJBVSOE-ZVDOUQERSA-N 2 1 351.579 3.071 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)C[C@@H]4CCCC[C@H]43)CC2)CC1 ZINC000557615659 505182877 /nfs/dbraw/zinc/18/28/77/505182877.db2.gz WJUSPGQNIVYEQN-SLYNCCJLSA-N 2 1 361.574 3.362 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@@H]3C3CCCCC3)CC2)CC1 ZINC000557627991 505186367 /nfs/dbraw/zinc/18/63/67/505186367.db2.gz NPGZNSUJMSEQOB-RTWAWAEBSA-N 2 1 361.574 3.268 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N1CCC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000561137459 505260143 /nfs/dbraw/zinc/26/01/43/505260143.db2.gz IHEDMCCJKASCCY-GOSISDBHSA-N 2 1 372.557 3.331 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000561222460 505284975 /nfs/dbraw/zinc/28/49/75/505284975.db2.gz MMMBZKIVZYKPTG-GOSISDBHSA-N 2 1 359.558 3.421 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C(C)(C)C)c1C ZINC000554882720 505288961 /nfs/dbraw/zinc/28/89/61/505288961.db2.gz NPUZIRLCERTMCI-IBGZPJMESA-N 2 1 363.594 3.103 20 0 FGADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000555002624 505325337 /nfs/dbraw/zinc/32/53/37/505325337.db2.gz DNIHTIQOVPNYAF-RHSMWYFYSA-N 2 1 355.486 3.492 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c(F)c1 ZINC000566977438 505328719 /nfs/dbraw/zinc/32/87/19/505328719.db2.gz MDLYTXZSUCTKMW-UHFFFAOYSA-N 2 1 358.457 3.081 20 0 FGADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C2(CCCCC2)C1 ZINC000555042746 505334764 /nfs/dbraw/zinc/33/47/64/505334764.db2.gz FRYBOQVYSFOHRH-UHFFFAOYSA-N 2 1 355.526 3.373 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC2(CCOCC2)[C@H]1C ZINC000551988318 505363734 /nfs/dbraw/zinc/36/37/34/505363734.db2.gz MNZILAPLJHLNKP-HZPDHXFCSA-N 2 1 368.481 3.295 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000561541608 505373117 /nfs/dbraw/zinc/37/31/17/505373117.db2.gz KQMIIJUBDRDSKO-RBUKOAKNSA-N 2 1 372.538 3.063 20 0 FGADMP C[C@H](C(=O)NC[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000552025895 505374048 /nfs/dbraw/zinc/37/40/48/505374048.db2.gz PICFDUIWWZQAAN-HPFXQQBRSA-N 2 1 365.949 3.363 20 0 FGADMP CC[C@@H]1C[C@@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147732 505376827 /nfs/dbraw/zinc/37/68/27/505376827.db2.gz YPMGXXYPLAVZOH-YTFSRNRJSA-N 2 1 371.569 3.084 20 0 FGADMP CNC(=O)c1cccc(C[N@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000567171113 505383443 /nfs/dbraw/zinc/38/34/43/505383443.db2.gz WCPSJZGYRIFTGI-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000567171113 505383447 /nfs/dbraw/zinc/38/34/47/505383447.db2.gz WCPSJZGYRIFTGI-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)c1 ZINC000567171113 505383453 /nfs/dbraw/zinc/38/34/53/505383453.db2.gz WCPSJZGYRIFTGI-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP CNC(=O)c1cccc(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)c1 ZINC000567171113 505383459 /nfs/dbraw/zinc/38/34/59/505383459.db2.gz WCPSJZGYRIFTGI-GOSISDBHSA-N 2 1 371.550 3.370 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3c(O)cccc32)c2cccs2)CC1 ZINC000555245321 505390350 /nfs/dbraw/zinc/39/03/50/505390350.db2.gz LKJZNYDTXBFEIW-RBUKOAKNSA-N 2 1 371.550 3.409 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC000561637480 505396270 /nfs/dbraw/zinc/39/62/70/505396270.db2.gz FBYRPQQVOUZTOM-YJBOKZPZSA-N 2 1 368.953 3.362 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000567221097 505399033 /nfs/dbraw/zinc/39/90/33/505399033.db2.gz JUPQWAPPGFTJAV-JOCHJYFZSA-N 2 1 371.500 3.363 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384478 505402107 /nfs/dbraw/zinc/40/21/07/505402107.db2.gz RTDSIFQTXPDHET-LJQANCHMSA-N 2 1 360.498 3.005 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384478 505402111 /nfs/dbraw/zinc/40/21/11/505402111.db2.gz RTDSIFQTXPDHET-LJQANCHMSA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384478 505402117 /nfs/dbraw/zinc/40/21/17/505402117.db2.gz RTDSIFQTXPDHET-LJQANCHMSA-N 2 1 360.498 3.005 20 0 FGADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1)C1CC1 ZINC000564384478 505402122 /nfs/dbraw/zinc/40/21/22/505402122.db2.gz RTDSIFQTXPDHET-LJQANCHMSA-N 2 1 360.498 3.005 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388633 505404345 /nfs/dbraw/zinc/40/43/45/505404345.db2.gz BOMBARKBWGVPCL-ZWKOTPCHSA-N 2 1 367.331 3.335 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1)C1CC1 ZINC000564388633 505404348 /nfs/dbraw/zinc/40/43/48/505404348.db2.gz BOMBARKBWGVPCL-ZWKOTPCHSA-N 2 1 367.331 3.335 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000552244811 505439036 /nfs/dbraw/zinc/43/90/36/505439036.db2.gz MJPIPOUKKDCTLL-UHFFFAOYSA-N 2 1 351.541 3.414 20 0 FGADMP Cc1nccn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250239 505440496 /nfs/dbraw/zinc/44/04/96/505440496.db2.gz YZAWRCODWPZIJX-FDFHNCONSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250239 505440499 /nfs/dbraw/zinc/44/04/99/505440499.db2.gz YZAWRCODWPZIJX-FDFHNCONSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552250239 505440502 /nfs/dbraw/zinc/44/05/02/505440502.db2.gz YZAWRCODWPZIJX-FDFHNCONSA-N 3 1 352.526 3.472 20 0 FGADMP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552251223 505441592 /nfs/dbraw/zinc/44/15/92/505441592.db2.gz OHOAJYMMSWYNDZ-PWRODBHTSA-N 2 1 357.542 3.135 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)CCCC2)CC1 ZINC000567451705 505467530 /nfs/dbraw/zinc/46/75/30/505467530.db2.gz IIAHHNHNMYQUMP-MOPGFXCFSA-N 2 1 374.573 3.460 20 0 FGADMP COC(=O)c1ccc(-c2nc(CN3CC[C@]4(C3)CCC[N@@H+](C)C4)co2)cc1 ZINC000555598469 505469370 /nfs/dbraw/zinc/46/93/70/505469370.db2.gz VYHAQCPPOUCVTE-OAQYLSRUSA-N 2 1 369.465 3.046 20 0 FGADMP Cc1ccncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555612019 505475076 /nfs/dbraw/zinc/47/50/76/505475076.db2.gz GSPDCEUUPFODGT-JOCHJYFZSA-N 2 1 365.521 3.408 20 0 FGADMP CC(C)(C)c1nnc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)[nH]1 ZINC000564656903 505484223 /nfs/dbraw/zinc/48/42/23/505484223.db2.gz ZGOBWYNFNHJENI-KRWDZBQOSA-N 2 1 353.514 3.389 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000555697065 505493055 /nfs/dbraw/zinc/49/30/55/505493055.db2.gz ROMZVGYONURQFT-NQIIRXRSSA-N 2 1 369.553 3.278 20 0 FGADMP CCN(Cc1ccccc1)C(=O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000552561165 505514272 /nfs/dbraw/zinc/51/42/72/505514272.db2.gz YPWYILIRNGZOJF-UHFFFAOYSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000564825710 505530433 /nfs/dbraw/zinc/53/04/33/505530433.db2.gz DPZDHQXYSHISGZ-LEUOFYLZSA-N 2 1 371.550 3.258 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567715190 505547183 /nfs/dbraw/zinc/54/71/83/505547183.db2.gz SOJSINBPCKIKBK-HBFSDRIKSA-N 2 1 372.557 3.056 20 0 FGADMP [NH3+][C@H]1CCC[C@@H](CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000567846700 505568003 /nfs/dbraw/zinc/56/80/03/505568003.db2.gz MYRHEVVGTHGTBP-YADHBBJMSA-N 2 1 365.521 3.323 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000567851339 505568395 /nfs/dbraw/zinc/56/83/95/505568395.db2.gz ALYXVUVHQWJTTJ-RTWAWAEBSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@H]3CCOC3)CC23CC3)cc1 ZINC000567851339 505568397 /nfs/dbraw/zinc/56/83/97/505568397.db2.gz ALYXVUVHQWJTTJ-RTWAWAEBSA-N 2 1 358.526 3.216 20 0 FGADMP CC[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000567865546 505569152 /nfs/dbraw/zinc/56/91/52/505569152.db2.gz WNIRYGSVWJLRAX-QGZVFWFLSA-N 2 1 356.445 3.105 20 0 FGADMP Cc1cc(C(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1CC(F)(F)F ZINC000567893706 505570462 /nfs/dbraw/zinc/57/04/62/505570462.db2.gz NEYINQBUFBYOBN-HOTGVXAUSA-N 2 1 371.447 3.171 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OCc1cccnc1 ZINC000608061146 506403061 /nfs/dbraw/zinc/40/30/61/506403061.db2.gz AKAKICCLWBBBMI-QFBILLFUSA-N 2 1 355.482 3.242 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OCc1cccnc1 ZINC000608061146 506403065 /nfs/dbraw/zinc/40/30/65/506403065.db2.gz AKAKICCLWBBBMI-QFBILLFUSA-N 2 1 355.482 3.242 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000582863423 506460593 /nfs/dbraw/zinc/46/05/93/506460593.db2.gz HFTUQNFHGPEKJC-YHBROIRLSA-N 2 1 369.553 3.455 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000599450306 506461122 /nfs/dbraw/zinc/46/11/22/506461122.db2.gz QKHMQLWOVUANRL-UHFFFAOYSA-N 2 1 367.493 3.486 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2ccc(C[NH+]3CCCCC3)cc2)nc1 ZINC000599450306 506461128 /nfs/dbraw/zinc/46/11/28/506461128.db2.gz QKHMQLWOVUANRL-UHFFFAOYSA-N 2 1 367.493 3.486 20 0 FGADMP CC(C)(C)N1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904261 506481989 /nfs/dbraw/zinc/48/19/89/506481989.db2.gz JBFNGVNTSFQUJI-RBUKOAKNSA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)(C)N1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904261 506481997 /nfs/dbraw/zinc/48/19/97/506481997.db2.gz JBFNGVNTSFQUJI-RBUKOAKNSA-N 2 1 355.526 3.173 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000589204244 506483753 /nfs/dbraw/zinc/48/37/53/506483753.db2.gz ZJJZEXSYCAOBKJ-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC[NH2+]C(C)(C)C ZINC000608375816 506533548 /nfs/dbraw/zinc/53/35/48/506533548.db2.gz NDBLQXUVQHUUPM-KRWDZBQOSA-N 2 1 361.530 3.058 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)N[C@@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000603593726 506569435 /nfs/dbraw/zinc/56/94/35/506569435.db2.gz XQNYUYYADBNWNN-IEBWSBKVSA-N 2 1 358.530 3.043 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000583091207 506584593 /nfs/dbraw/zinc/58/45/93/506584593.db2.gz LJNCFBCJTWEYAB-RXVVDRJESA-N 2 1 365.521 3.313 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000583348833 506730178 /nfs/dbraw/zinc/73/01/78/506730178.db2.gz HDIGZCMBQWLPKC-LSDHHAIUSA-N 2 1 367.921 3.386 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604193600 506745377 /nfs/dbraw/zinc/74/53/77/506745377.db2.gz BEXPVYRRFXAPDN-TZIWHRDSSA-N 2 1 372.557 3.245 20 0 FGADMP O=C(CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1)Nc1cc(F)cc(F)c1 ZINC000583419837 506768782 /nfs/dbraw/zinc/76/87/82/506768782.db2.gz ZCRHIZFDWNAOEF-UHFFFAOYSA-N 2 1 373.447 3.331 20 0 FGADMP O=C(CC[NH2+]CCC[N@H+]1CCc2ccccc2C1)Nc1cc(F)cc(F)c1 ZINC000583419837 506768790 /nfs/dbraw/zinc/76/87/90/506768790.db2.gz ZCRHIZFDWNAOEF-UHFFFAOYSA-N 2 1 373.447 3.331 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000604388582 506814607 /nfs/dbraw/zinc/81/46/07/506814607.db2.gz JCZDZUASAJMANU-DOTOQJQBSA-N 2 1 371.447 3.358 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388582 506814611 /nfs/dbraw/zinc/81/46/11/506814611.db2.gz JCZDZUASAJMANU-DOTOQJQBSA-N 2 1 371.447 3.358 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000590786553 506954469 /nfs/dbraw/zinc/95/44/69/506954469.db2.gz GVGKFJGKYWBNFF-UHFFFAOYSA-N 2 1 369.456 3.279 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2OC(F)F)CC1 ZINC000590786553 506954475 /nfs/dbraw/zinc/95/44/75/506954475.db2.gz GVGKFJGKYWBNFF-UHFFFAOYSA-N 2 1 369.456 3.279 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000590786547 506956128 /nfs/dbraw/zinc/95/61/28/506956128.db2.gz DSPUERIRXLQMNP-RMJJICAUSA-N 2 1 351.579 3.368 20 0 FGADMP COc1c(C)nc(C2CC2)nc1N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000583842307 507003018 /nfs/dbraw/zinc/00/30/18/507003018.db2.gz NIOANWAFBWEYFF-UHFFFAOYSA-N 2 1 352.482 3.383 20 0 FGADMP COc1cc(Br)ccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000583994438 507093031 /nfs/dbraw/zinc/09/30/31/507093031.db2.gz BUJZRWCFFRQGPT-AWEZNQCLSA-N 2 1 353.304 3.279 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000591096976 507114222 /nfs/dbraw/zinc/11/42/22/507114222.db2.gz PCSJLSVEWVHIFT-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000591096976 507114227 /nfs/dbraw/zinc/11/42/27/507114227.db2.gz PCSJLSVEWVHIFT-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000591096976 507114231 /nfs/dbraw/zinc/11/42/31/507114231.db2.gz PCSJLSVEWVHIFT-NQIIRXRSSA-N 2 1 357.542 3.409 20 0 FGADMP Fc1ccccc1CSCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594491211 507152529 /nfs/dbraw/zinc/15/25/29/507152529.db2.gz ZZCRFONHFQZGBK-SFHVURJKSA-N 2 1 352.519 3.292 20 0 FGADMP COc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1Br ZINC000584121511 507166016 /nfs/dbraw/zinc/16/60/16/507166016.db2.gz OHSFPIXQACRIHI-LBPRGKRZSA-N 2 1 352.276 3.475 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000584163194 507188637 /nfs/dbraw/zinc/18/86/37/507188637.db2.gz JQYLPOIXYJXZGZ-PMACEKPBSA-N 2 1 374.916 3.244 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410095 507239883 /nfs/dbraw/zinc/23/98/83/507239883.db2.gz FDKYFOFIKCGYIY-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410095 507239890 /nfs/dbraw/zinc/23/98/90/507239890.db2.gz FDKYFOFIKCGYIY-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000591410095 507239896 /nfs/dbraw/zinc/23/98/96/507239896.db2.gz FDKYFOFIKCGYIY-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CCCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584290126 507261792 /nfs/dbraw/zinc/26/17/92/507261792.db2.gz FBIWUWLWGZUMND-NSHGMRRFSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000594870344 507300999 /nfs/dbraw/zinc/30/09/99/507300999.db2.gz ZBZYTGILJNADFI-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000594870344 507301011 /nfs/dbraw/zinc/30/10/11/507301011.db2.gz ZBZYTGILJNADFI-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000594870344 507301021 /nfs/dbraw/zinc/30/10/21/507301021.db2.gz ZBZYTGILJNADFI-RTBURBONSA-N 2 1 373.541 3.011 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000594942416 507324472 /nfs/dbraw/zinc/32/44/72/507324472.db2.gz IBUAVTMHCWFNFX-JSNNEVCYSA-N 2 1 356.510 3.074 20 0 FGADMP C[C@H](CSCCF)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000595003752 507351284 /nfs/dbraw/zinc/35/12/84/507351284.db2.gz LLEVHGZVEWQGIV-ZACQAIPSSA-N 2 1 354.535 3.477 20 0 FGADMP C[C@@H](CSCCF)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000595007473 507352768 /nfs/dbraw/zinc/35/27/68/507352768.db2.gz OECPRKLYLZSMFM-HKUYNNGSSA-N 2 1 353.551 3.046 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000614102501 507365416 /nfs/dbraw/zinc/36/54/16/507365416.db2.gz PCGOETVKIXXOCG-VQTJNVASSA-N 2 1 361.505 3.177 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@@H](F)C2)cc1 ZINC000614102501 507365426 /nfs/dbraw/zinc/36/54/26/507365426.db2.gz PCGOETVKIXXOCG-VQTJNVASSA-N 2 1 361.505 3.177 20 0 FGADMP COC(=O)CC1(C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)CC1 ZINC000584533397 507398659 /nfs/dbraw/zinc/39/86/59/507398659.db2.gz YVDRJIYQYFACQK-MRXNPFEDSA-N 2 1 350.528 3.154 20 0 FGADMP COC(=O)CC1(C[NH+](C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533397 507398665 /nfs/dbraw/zinc/39/86/65/507398665.db2.gz YVDRJIYQYFACQK-MRXNPFEDSA-N 2 1 350.528 3.154 20 0 FGADMP COC(=O)CC1(C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)CC1 ZINC000584533397 507398670 /nfs/dbraw/zinc/39/86/70/507398670.db2.gz YVDRJIYQYFACQK-MRXNPFEDSA-N 2 1 350.528 3.154 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CN1C1CC1 ZINC000584670688 507441171 /nfs/dbraw/zinc/44/11/71/507441171.db2.gz LSZDVFLECWJYKW-SEIRJHJZSA-N 2 1 367.537 3.030 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)CC(C)C ZINC000606633853 507460029 /nfs/dbraw/zinc/46/00/29/507460029.db2.gz XUPUVJSHFFRIMY-FQEVSTJZSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCCC[NH+]1CCCC1 ZINC000595378065 507475516 /nfs/dbraw/zinc/47/55/16/507475516.db2.gz VOFFOIZNNMTXOR-LJQANCHMSA-N 2 1 373.541 3.156 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000606690476 507482705 /nfs/dbraw/zinc/48/27/05/507482705.db2.gz AGGKCXBKGCXQRN-SFTDATJTSA-N 2 1 372.557 3.195 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)CC1 ZINC000606897806 507546797 /nfs/dbraw/zinc/54/67/97/507546797.db2.gz CMULYUDUNBAFGV-IBGZPJMESA-N 2 1 363.933 3.498 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000595636284 507607089 /nfs/dbraw/zinc/60/70/89/507607089.db2.gz IPGRLGSSFORSGF-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000607125427 507622944 /nfs/dbraw/zinc/62/29/44/507622944.db2.gz PMDXCFWVUACQKA-WIYYLYMNSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614726067 507637366 /nfs/dbraw/zinc/63/73/66/507637366.db2.gz WHKRLBQUGSNOLT-BAGYTPMASA-N 2 1 369.553 3.026 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCC(C)CC1 ZINC000592490839 507678366 /nfs/dbraw/zinc/67/83/66/507678366.db2.gz PBEWEQQNXBGNKD-ICSRJNTNSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000611498021 507707771 /nfs/dbraw/zinc/70/77/71/507707771.db2.gz BFFBFGSEAHKVCE-FQEVSTJZSA-N 2 1 374.525 3.375 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[nH+]c1 ZINC000502862660 514814380 /nfs/dbraw/zinc/81/43/80/514814380.db2.gz TVDQMEAHSQPJCW-SFHVURJKSA-N 2 1 361.534 3.146 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[nH+]c1 ZINC000502862660 514814392 /nfs/dbraw/zinc/81/43/92/514814392.db2.gz TVDQMEAHSQPJCW-SFHVURJKSA-N 2 1 361.534 3.146 20 0 FGADMP Nc1nc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc2ccccc12 ZINC000519035649 516862720 /nfs/dbraw/zinc/86/27/20/516862720.db2.gz BCOYAFVDIZRPPD-RTBURBONSA-N 2 1 373.504 3.166 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000643228246 568026847 /nfs/dbraw/zinc/02/68/47/568026847.db2.gz XNEYHUTXWDIVIA-MWXLCCTBSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[C@@H]1[NH3+] ZINC000669117817 568035337 /nfs/dbraw/zinc/03/53/37/568035337.db2.gz SSFUNVVIOOXMPZ-UEXGIBASSA-N 2 1 372.557 3.330 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1)CC(C)C ZINC000825419186 608329178 /nfs/dbraw/zinc/32/91/78/608329178.db2.gz KBBVAWHPNPWQRI-UHFFFAOYSA-N 2 1 370.545 3.447 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000824894561 608362379 /nfs/dbraw/zinc/36/23/79/608362379.db2.gz YSWBLWYELVFXLT-MAUKXSAKSA-N 2 1 362.481 3.106 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824945301 609326504 /nfs/dbraw/zinc/32/65/04/609326504.db2.gz BBNMFNBETTVZDR-HUUCEWRRSA-N 2 1 360.481 3.169 20 0 FGADMP C[C@@H](C1CC1)[N@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000071838175 695958248 /nfs/dbraw/zinc/95/82/48/695958248.db2.gz CYBDALPBYRHZEZ-KXBFYZLASA-N 2 1 363.933 3.323 20 0 FGADMP C[C@@H](C1CC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000071838175 695958249 /nfs/dbraw/zinc/95/82/49/695958249.db2.gz CYBDALPBYRHZEZ-KXBFYZLASA-N 2 1 363.933 3.323 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000160485062 705254477 /nfs/dbraw/zinc/25/44/77/705254477.db2.gz LGFRWSHOGQWTHW-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CC[NH+](C)CC3)CC2)cs1 ZINC000161796766 705282955 /nfs/dbraw/zinc/28/29/55/705282955.db2.gz LUMMWVKUVMZTIK-INIZCTEOSA-N 3 1 364.603 3.237 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161924892 705286084 /nfs/dbraw/zinc/28/60/84/705286084.db2.gz ASUILRBKHAHTAH-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1nccn1CCCC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422592 705701220 /nfs/dbraw/zinc/70/12/20/705701220.db2.gz DNAAYLWKGVKLRB-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422592 705701224 /nfs/dbraw/zinc/70/12/24/705701224.db2.gz DNAAYLWKGVKLRB-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000179422592 705701228 /nfs/dbraw/zinc/70/12/28/705701228.db2.gz DNAAYLWKGVKLRB-QGZVFWFLSA-N 2 1 350.507 3.161 20 0 FGADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000237598151 713594227 /nfs/dbraw/zinc/59/42/27/713594227.db2.gz KNHVNLIQCFSJBV-OXQOHEQNSA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248399527 713648780 /nfs/dbraw/zinc/64/87/80/713648780.db2.gz JZVYTMNWGDVJLK-XZWCOCNFSA-N 2 1 362.583 3.424 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000248893761 713660920 /nfs/dbraw/zinc/66/09/20/713660920.db2.gz TZTRQEDUBGROHT-YOEHRIQHSA-N 2 1 369.893 3.475 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)C1 ZINC000248893761 713660923 /nfs/dbraw/zinc/66/09/23/713660923.db2.gz TZTRQEDUBGROHT-YOEHRIQHSA-N 2 1 369.893 3.475 20 0 FGADMP C(CC[NH+]1CCCO[C@@H]2CCC[C@H]21)CC[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000374129453 713901291 /nfs/dbraw/zinc/90/12/91/713901291.db2.gz LMWCVYULDMBYGC-XRXFAXGQSA-N 2 1 350.547 3.444 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553369 713985271 /nfs/dbraw/zinc/98/52/71/713985271.db2.gz HJZIVWUXYJKCIJ-BSDSXHPESA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000386553371 713985408 /nfs/dbraw/zinc/98/54/08/713985408.db2.gz HJZIVWUXYJKCIJ-MHORFTMASA-N 2 1 351.535 3.381 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523855414 714256045 /nfs/dbraw/zinc/25/60/45/714256045.db2.gz JKKASHONUCESML-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2ccc(Cl)cc2)CC1 ZINC000523855414 714256046 /nfs/dbraw/zinc/25/60/46/714256046.db2.gz JKKASHONUCESML-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000524570633 714289062 /nfs/dbraw/zinc/28/90/62/714289062.db2.gz OXRYSQIBTRLBSW-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[C@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+]1CCCCCC1 ZINC000524667613 714294533 /nfs/dbraw/zinc/29/45/33/714294533.db2.gz LNWORTGCXLOKOT-IBGZPJMESA-N 2 1 352.567 3.061 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000524970284 714313567 /nfs/dbraw/zinc/31/35/67/714313567.db2.gz YAKOZNBXUVQVFS-IYBDPMFKSA-N 2 1 361.555 3.355 20 0 FGADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)cc1Cl ZINC000525994419 714394468 /nfs/dbraw/zinc/39/44/68/714394468.db2.gz ZFXJRNRYANNLMW-UHFFFAOYSA-N 2 1 358.873 3.356 20 0 FGADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(I)cc1 ZINC000615967222 714559469 /nfs/dbraw/zinc/55/94/69/714559469.db2.gz WCSDNVYJQZVTSR-HNNXBMFYSA-N 2 1 369.250 3.308 20 0 FGADMP Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Cl)c1Cl ZINC000617507760 714663112 /nfs/dbraw/zinc/66/31/12/714663112.db2.gz IQBZDZXZPCOXNC-ZDUSSCGKSA-N 2 1 360.329 3.304 20 0 FGADMP Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Cl)c1Cl ZINC000617507760 714663119 /nfs/dbraw/zinc/66/31/19/714663119.db2.gz IQBZDZXZPCOXNC-ZDUSSCGKSA-N 2 1 360.329 3.304 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1(C)C ZINC000623513044 715351754 /nfs/dbraw/zinc/35/17/54/715351754.db2.gz GWTKIBCJAUFLNK-QGZVFWFLSA-N 2 1 351.922 3.139 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)CC1(C)C ZINC000623513044 715351764 /nfs/dbraw/zinc/35/17/64/715351764.db2.gz GWTKIBCJAUFLNK-QGZVFWFLSA-N 2 1 351.922 3.139 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCCc2scnc21 ZINC000623957472 715439982 /nfs/dbraw/zinc/43/99/82/715439982.db2.gz KQQNCTBECZBVPW-QZTJIDSGSA-N 2 1 357.523 3.267 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779132026 724394370 /nfs/dbraw/zinc/39/43/70/724394370.db2.gz XCTANHWIWKUYQI-ZWKOTPCHSA-N 2 1 353.551 3.344 20 0 FGADMP Cc1c[nH+]cn1CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000627919836 716089238 /nfs/dbraw/zinc/08/92/38/716089238.db2.gz FPMKKTGVGYPQGD-UHFFFAOYSA-N 2 1 358.511 3.408 20 0 FGADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]CC1([NH3+])CCOCC1 ZINC000629523828 716302613 /nfs/dbraw/zinc/30/26/13/716302613.db2.gz JUHXOPXTZIQSIM-XHDPSFHLSA-N 2 1 371.344 3.330 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634706205 717108837 /nfs/dbraw/zinc/10/88/37/717108837.db2.gz MHHBXPASNPDGOC-INIZCTEOSA-N 2 1 372.296 3.308 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765534 717192666 /nfs/dbraw/zinc/19/26/66/717192666.db2.gz DRUCEOWGYLMXBU-FMEYXAORSA-N 2 1 367.896 3.072 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765534 717192668 /nfs/dbraw/zinc/19/26/68/717192668.db2.gz DRUCEOWGYLMXBU-FMEYXAORSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765534 717192670 /nfs/dbraw/zinc/19/26/70/717192670.db2.gz DRUCEOWGYLMXBU-FMEYXAORSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000635765534 717192673 /nfs/dbraw/zinc/19/26/73/717192673.db2.gz DRUCEOWGYLMXBU-FMEYXAORSA-N 2 1 367.896 3.072 20 0 FGADMP CN(Cc1cccs1)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637880439 717386318 /nfs/dbraw/zinc/38/63/18/717386318.db2.gz NNWRHXMYKFWNNM-UHFFFAOYSA-N 2 1 357.523 3.090 20 0 FGADMP CC(=O)N(c1nc(C[NH2+]CC2CC[NH+](C)CC2)cs1)c1ccccc1 ZINC000638568214 717466591 /nfs/dbraw/zinc/46/65/91/717466591.db2.gz XGJRYYJUVXFPAD-UHFFFAOYSA-N 2 1 358.511 3.259 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000639041516 717507642 /nfs/dbraw/zinc/50/76/42/717507642.db2.gz LXZOPYGAOLXJQE-HIFRSBDPSA-N 2 1 368.319 3.158 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(Cl)cc1 ZINC000639759800 717599948 /nfs/dbraw/zinc/59/99/48/717599948.db2.gz JWLRXZDDVAMEPZ-QFBILLFUSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530369 717759667 /nfs/dbraw/zinc/75/96/67/717759667.db2.gz DFYQPMNNHORDKY-HNNXBMFYSA-N 2 1 353.457 3.490 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)cccc1F)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530369 717759673 /nfs/dbraw/zinc/75/96/73/717759673.db2.gz DFYQPMNNHORDKY-HNNXBMFYSA-N 2 1 353.457 3.490 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F ZINC000640568510 717767737 /nfs/dbraw/zinc/76/77/37/717767737.db2.gz SECDTDHWWBFOTH-IRXDYDNUSA-N 2 1 355.404 3.096 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000644525429 718119349 /nfs/dbraw/zinc/11/93/49/718119349.db2.gz KUTJNYMGNAXZRP-SPYBWZPUSA-N 2 1 365.905 3.209 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188066 718191249 /nfs/dbraw/zinc/19/12/49/718191249.db2.gz IAOGPTLNHVUULK-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188066 718191258 /nfs/dbraw/zinc/19/12/58/718191258.db2.gz IAOGPTLNHVUULK-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188066 718191260 /nfs/dbraw/zinc/19/12/60/718191260.db2.gz IAOGPTLNHVUULK-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188066 718191263 /nfs/dbraw/zinc/19/12/63/718191263.db2.gz IAOGPTLNHVUULK-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)[C@H](c2ccccc2)C1 ZINC000647343789 718351594 /nfs/dbraw/zinc/35/15/94/718351594.db2.gz CAHLSZZMXYFQEV-ZLZJIPBDSA-N 2 1 356.432 3.157 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480147 718363420 /nfs/dbraw/zinc/36/34/20/718363420.db2.gz COUCIPZUWNPSGX-HOCLYGCPSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480147 718363421 /nfs/dbraw/zinc/36/34/21/718363421.db2.gz COUCIPZUWNPSGX-HOCLYGCPSA-N 2 1 350.528 3.390 20 0 FGADMP O=C(c1cc2occc2s1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647886818 718383230 /nfs/dbraw/zinc/38/32/30/718383230.db2.gz YTTSSVFVVYDKJF-UHFFFAOYSA-N 2 1 361.511 3.032 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975970 718390968 /nfs/dbraw/zinc/39/09/68/718390968.db2.gz IHRCCDNWSIBMBO-BBWFWOEESA-N 2 1 361.555 3.447 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978032 718391755 /nfs/dbraw/zinc/39/17/55/718391755.db2.gz LLLDLGNLQCEKJA-HUUCEWRRSA-N 2 1 351.441 3.005 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335722 718505265 /nfs/dbraw/zinc/50/52/65/718505265.db2.gz VAZYVDJLYMZYPS-MOPGFXCFSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(Cl)c1 ZINC000649335722 718505267 /nfs/dbraw/zinc/50/52/67/718505267.db2.gz VAZYVDJLYMZYPS-MOPGFXCFSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706548 718717415 /nfs/dbraw/zinc/71/74/15/718717415.db2.gz NGIWJTARYGSDOU-ZMSDIMECSA-N 2 1 358.404 3.304 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722186 718720162 /nfs/dbraw/zinc/72/01/62/718720162.db2.gz MWQOYDBJUKNPNA-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)cc2F)C1 ZINC000650722186 718720164 /nfs/dbraw/zinc/72/01/64/718720164.db2.gz MWQOYDBJUKNPNA-HYVNUMGLSA-N 2 1 371.294 3.449 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc(Cl)c1OC ZINC000650722590 718720638 /nfs/dbraw/zinc/72/06/38/718720638.db2.gz XMARWODZYYCWNU-OIISXLGYSA-N 2 1 368.905 3.218 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)sc2c1 ZINC000650724009 718721263 /nfs/dbraw/zinc/72/12/63/718721263.db2.gz WUURVTBGCRRYCH-IAOVAPTHSA-N 2 1 361.511 3.166 20 0 FGADMP CC[N@@H+](CCCNC(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)C1CCCCC1 ZINC000651218228 718783080 /nfs/dbraw/zinc/78/30/80/718783080.db2.gz FRTUQMBISMGUOA-IBGZPJMESA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)C1CCCCC1 ZINC000651218228 718783083 /nfs/dbraw/zinc/78/30/83/718783083.db2.gz FRTUQMBISMGUOA-IBGZPJMESA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+](CCCNC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)C1CCCCC1 ZINC000651218228 718783086 /nfs/dbraw/zinc/78/30/86/718783086.db2.gz FRTUQMBISMGUOA-IBGZPJMESA-N 2 1 352.567 3.155 20 0 FGADMP CC[N@H+](CCC[NH2+]Cc1cnc(N2CCOCC2)s1)C1CCCCC1 ZINC000651909585 718888463 /nfs/dbraw/zinc/88/84/63/718888463.db2.gz PJKDHVUCXOHBHZ-UHFFFAOYSA-N 2 1 366.575 3.114 20 0 FGADMP CC[N@@H+](CCC[NH2+]Cc1cnc(N2CCOCC2)s1)C1CCCCC1 ZINC000651909585 718888467 /nfs/dbraw/zinc/88/84/67/718888467.db2.gz PJKDHVUCXOHBHZ-UHFFFAOYSA-N 2 1 366.575 3.114 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362255 718936916 /nfs/dbraw/zinc/93/69/16/718936916.db2.gz BKSSGFALQXJPCT-NEWSRXKRSA-N 2 1 352.906 3.470 20 0 FGADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CCC[C@@H]3[NH2+]C[C@H]32)n1 ZINC001164450255 719000184 /nfs/dbraw/zinc/00/01/84/719000184.db2.gz SXDOZYVRVGJKSW-LSDHHAIUSA-N 2 1 359.543 3.091 20 0 FGADMP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653106215 719012940 /nfs/dbraw/zinc/01/29/40/719012940.db2.gz XLRAWLCFIPXHDR-GUDVDZBRSA-N 2 1 361.917 3.124 20 0 FGADMP c1ccc(C[N@H+]2CCc3nc(N4CCC(C5C[NH2+]C5)CC4)ccc3C2)cc1 ZINC001164615428 719036706 /nfs/dbraw/zinc/03/67/06/719036706.db2.gz MMXGSQKRKPAKDI-UHFFFAOYSA-N 2 1 362.521 3.076 20 0 FGADMP C[N@@H+](Cc1ccc(N2CC[C@]3(C[NH2+]C[C@H]3c3ccccc3)C2)nc1)C1CC1 ZINC001164619200 719048251 /nfs/dbraw/zinc/04/82/51/719048251.db2.gz BZSKMEWJJNDLGQ-GMAHTHKFSA-N 2 1 362.521 3.259 20 0 FGADMP C[C@@H](O)C[NH+](Cc1cc(Cl)cc(C[N@H+](C[C@@H](C)O)C2CC2)c1)C1CC1 ZINC000653903579 719109765 /nfs/dbraw/zinc/10/97/65/719109765.db2.gz ISTDKWBTZALAOG-HUUCEWRRSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@H](O)C[NH+](Cc1cc(Cl)cc(C[N@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903578 719109909 /nfs/dbraw/zinc/10/99/09/719109909.db2.gz ISTDKWBTZALAOG-GJZGRUSLSA-N 2 1 366.933 3.030 20 0 FGADMP FC(F)(F)c1ccccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655697158 719326752 /nfs/dbraw/zinc/32/67/52/719326752.db2.gz IOCSGEQMUDBGPW-QGZVFWFLSA-N 2 1 356.432 3.481 20 0 FGADMP FC(F)(F)c1cccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655701082 719327045 /nfs/dbraw/zinc/32/70/45/719327045.db2.gz SEZSETUQCAKOKZ-GOSISDBHSA-N 2 1 356.432 3.481 20 0 FGADMP C[NH+](C)[C@@H](CNC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717918 719329432 /nfs/dbraw/zinc/32/94/32/719329432.db2.gz GANHAXIYXGDQQH-UXHICEINSA-N 2 1 365.949 3.176 20 0 FGADMP FC(F)COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655724867 719330219 /nfs/dbraw/zinc/33/02/19/719330219.db2.gz IUSYPMSGCGOFCB-GOSISDBHSA-N 2 1 354.441 3.064 20 0 FGADMP Clc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000658069628 719750968 /nfs/dbraw/zinc/75/09/68/719750968.db2.gz PNXQKAAFPRPMLT-AEFFLSMTSA-N 2 1 363.933 3.009 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C12CCC2 ZINC000658250161 719774434 /nfs/dbraw/zinc/77/44/34/719774434.db2.gz AYYLCIRRTHLTBS-CEXWTWQISA-N 2 1 350.547 3.346 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N(C)CC(C)(C)[NH3+])c1ccc(Cl)cc1 ZINC000659493309 719920182 /nfs/dbraw/zinc/92/01/82/719920182.db2.gz XYPHQXJCEQZSJP-MRXNPFEDSA-N 2 1 354.926 3.102 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1)CC(C)C ZINC000659622244 719929291 /nfs/dbraw/zinc/92/92/91/719929291.db2.gz PAQQTAAOCVHKAZ-LJQANCHMSA-N 2 1 354.583 3.149 20 0 FGADMP FC1(F)C[C@@H]1OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000660624327 720085812 /nfs/dbraw/zinc/08/58/12/720085812.db2.gz ZURNANYOMNBDMM-SFHVURJKSA-N 2 1 350.453 3.399 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651894 720091067 /nfs/dbraw/zinc/09/10/67/720091067.db2.gz DQRBMGRXUOJICQ-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651894 720091071 /nfs/dbraw/zinc/09/10/71/720091071.db2.gz DQRBMGRXUOJICQ-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651894 720091074 /nfs/dbraw/zinc/09/10/74/720091074.db2.gz DQRBMGRXUOJICQ-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651894 720091078 /nfs/dbraw/zinc/09/10/78/720091078.db2.gz DQRBMGRXUOJICQ-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164711605 720092521 /nfs/dbraw/zinc/09/25/21/720092521.db2.gz RNWJZRFHOMZUKJ-HXUWFJFHSA-N 2 1 366.509 3.293 20 0 FGADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164711605 720092525 /nfs/dbraw/zinc/09/25/25/720092525.db2.gz RNWJZRFHOMZUKJ-HXUWFJFHSA-N 2 1 366.509 3.293 20 0 FGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1[nH+]c(C)cc3[nH]ccc31)C2 ZINC001164815405 720126973 /nfs/dbraw/zinc/12/69/73/720126973.db2.gz VJBLTGPAHCKLAL-DYESRHJHSA-N 2 1 354.498 3.056 20 0 FGADMP C[C@@]1(C2CC2)C[NH+](CCCCC[N@H+]2CCO[C@](C)(C3CC3)C2)CCO1 ZINC000661166450 720200951 /nfs/dbraw/zinc/20/09/51/720200951.db2.gz AUJLBGFDGYXUMQ-SFTDATJTSA-N 2 1 350.547 3.159 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000661505143 720267007 /nfs/dbraw/zinc/26/70/07/720267007.db2.gz KFXWSLJLWXMHQK-SJORKVTESA-N 2 1 366.937 3.115 20 0 FGADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](C[C@H]2CCC4(C[NH2+]C4)O2)C3)cs1 ZINC000662280733 720408895 /nfs/dbraw/zinc/40/88/95/720408895.db2.gz PMLLLLPZXVUICM-CQSZACIVSA-N 2 1 361.536 3.059 20 0 FGADMP COc1cccc(SCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000662285192 720410017 /nfs/dbraw/zinc/41/00/17/720410017.db2.gz ZHFFTNQTLXHJDB-IPELMVKDSA-N 2 1 350.528 3.148 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCSc2ccc(F)cc2F)C1 ZINC000662284229 720410021 /nfs/dbraw/zinc/41/00/21/720410021.db2.gz MDIMAQNVPYWDJV-PVAVHDDUSA-N 2 1 356.482 3.418 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291241 720410579 /nfs/dbraw/zinc/41/05/79/720410579.db2.gz QCIXCNLLTPRYDS-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291696 720411093 /nfs/dbraw/zinc/41/10/93/720411093.db2.gz XMXXHNUAMWWELH-UKRRQHHQSA-N 2 1 351.441 3.003 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313708 720414240 /nfs/dbraw/zinc/41/42/40/720414240.db2.gz XRIQEIXZEIVBAQ-CZUORRHYSA-N 2 1 353.894 3.127 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3)n2C)[C@@H]1CCC[NH3+] ZINC000662318331 720414903 /nfs/dbraw/zinc/41/49/03/720414903.db2.gz YEPUQCRWCNKPQC-RHSMWYFYSA-N 2 1 361.921 3.475 20 0 FGADMP Clc1cnccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327115 720415692 /nfs/dbraw/zinc/41/56/92/720415692.db2.gz JSCMWFGPAUHKTL-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1cnccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662327115 720415700 /nfs/dbraw/zinc/41/57/00/720415700.db2.gz JSCMWFGPAUHKTL-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662431064 720427548 /nfs/dbraw/zinc/42/75/48/720427548.db2.gz YMTTYQBSAFXHPA-INIZCTEOSA-N 2 1 358.313 3.102 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1cccc(Cl)c1Cl ZINC000662523749 720438091 /nfs/dbraw/zinc/43/80/91/720438091.db2.gz SCVSFSAKQSSPPD-DCGLDWPTSA-N 2 1 370.324 3.102 20 0 FGADMP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000662536099 720439274 /nfs/dbraw/zinc/43/92/74/720439274.db2.gz RZYGNBVHBTVDGB-INIZCTEOSA-N 2 1 358.313 3.072 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(F)cc1F)c1ccsc1 ZINC000662679140 720452018 /nfs/dbraw/zinc/45/20/18/720452018.db2.gz MDVBPKVVQBUODA-DLBZAZTESA-N 2 1 367.465 3.225 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684734 720452350 /nfs/dbraw/zinc/45/23/50/720452350.db2.gz HPWKYTWQLKRWIZ-WBMJQRKESA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684734 720452351 /nfs/dbraw/zinc/45/23/51/720452351.db2.gz HPWKYTWQLKRWIZ-WBMJQRKESA-N 2 1 358.313 3.054 20 0 FGADMP CCN(C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663451459 720516357 /nfs/dbraw/zinc/51/63/57/720516357.db2.gz ROINEKKUYBCIMN-IRXDYDNUSA-N 2 1 364.559 3.011 20 0 FGADMP CCN(C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000663451457 720516388 /nfs/dbraw/zinc/51/63/88/720516388.db2.gz ROINEKKUYBCIMN-DLBZAZTESA-N 2 1 364.559 3.011 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468784 720517919 /nfs/dbraw/zinc/51/79/19/720517919.db2.gz MSMZIKSJVXKDJM-GOEBONIOSA-N 2 1 368.518 3.002 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000663468784 720517921 /nfs/dbraw/zinc/51/79/21/720517921.db2.gz MSMZIKSJVXKDJM-GOEBONIOSA-N 2 1 368.518 3.002 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000666555799 720947428 /nfs/dbraw/zinc/94/74/28/720947428.db2.gz NJEJEUSAFPKBQY-NSHDSACASA-N 2 1 362.852 3.012 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1c(F)cc(Cl)cc1F ZINC000666555799 720947429 /nfs/dbraw/zinc/94/74/29/720947429.db2.gz NJEJEUSAFPKBQY-NSHDSACASA-N 2 1 362.852 3.012 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666856490 720991600 /nfs/dbraw/zinc/99/16/00/720991600.db2.gz LPBNXSFNMNRYIS-MRXNPFEDSA-N 2 1 363.303 3.175 20 0 FGADMP Cc1[nH+]c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)cc2[nH]ccc21 ZINC001164858863 720994065 /nfs/dbraw/zinc/99/40/65/720994065.db2.gz IPRUHOGZPRRHDX-OAHLLOKOSA-N 2 1 352.486 3.489 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)[nH+]1 ZINC001164903478 721538924 /nfs/dbraw/zinc/53/89/24/721538924.db2.gz CZPCDXRIFPIEJE-SJLPKXTDSA-N 2 1 366.440 3.352 20 0 FGADMP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c(N)c1 ZINC001164908920 721718761 /nfs/dbraw/zinc/71/87/61/721718761.db2.gz ZMTQVHXSKAEQNI-IBGZPJMESA-N 2 1 373.451 3.105 20 0 FGADMP Cc1c[nH+]c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(N)c1 ZINC001164908920 721718769 /nfs/dbraw/zinc/71/87/69/721718769.db2.gz ZMTQVHXSKAEQNI-IBGZPJMESA-N 2 1 373.451 3.105 20 0 FGADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000675177725 721735924 /nfs/dbraw/zinc/73/59/24/721735924.db2.gz VVMFSPUUBZRZOP-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454656 722385587 /nfs/dbraw/zinc/38/55/87/722385587.db2.gz NSWMXGIAIIKOGJ-UHFFFAOYSA-N 2 1 357.464 3.472 20 0 FGADMP C[C@@H](Cc1ccsc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000685460642 722386168 /nfs/dbraw/zinc/38/61/68/722386168.db2.gz DMHPTWPICSXKAB-RCCFBDPRSA-N 2 1 366.571 3.269 20 0 FGADMP CC(C)c1ccc(NC(=S)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cc1 ZINC000732720986 722487739 /nfs/dbraw/zinc/48/77/39/722487739.db2.gz OVXVLEQYQOYFID-SFHVURJKSA-N 2 1 360.571 3.265 20 0 FGADMP CC(C)c1ccc(NC(=S)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000732720986 722487740 /nfs/dbraw/zinc/48/77/40/722487740.db2.gz OVXVLEQYQOYFID-SFHVURJKSA-N 2 1 360.571 3.265 20 0 FGADMP c1csc(C[NH+]2CCC(CNc3nc(N4CCCC4)cc[nH+]3)CC2)c1 ZINC000733188815 722493562 /nfs/dbraw/zinc/49/35/62/722493562.db2.gz NEBJSCDKQQNIBU-UHFFFAOYSA-N 2 1 357.527 3.462 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)c(Cl)c1)[NH+](CC)CC ZINC000736010258 722521174 /nfs/dbraw/zinc/52/11/74/722521174.db2.gz QHGQHCUUUAHSAX-KRWDZBQOSA-N 2 1 366.937 3.151 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)cc(C)c1 ZINC000751012609 722790532 /nfs/dbraw/zinc/79/05/32/722790532.db2.gz XQINUZHSFWTHDT-IBGZPJMESA-N 2 1 362.587 3.348 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754374694 722936383 /nfs/dbraw/zinc/93/63/83/722936383.db2.gz IDOSVVSTRHJPCL-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC000755047062 722949674 /nfs/dbraw/zinc/94/96/74/722949674.db2.gz DRQDVXXRERREQB-KSZLIROESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccnc(Cl)c1 ZINC000765680228 723532322 /nfs/dbraw/zinc/53/23/22/723532322.db2.gz AYKAHCKVSNGDPX-QFBILLFUSA-N 2 1 358.917 3.374 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000766120651 723556884 /nfs/dbraw/zinc/55/68/84/723556884.db2.gz AENJUUYNQWJQMK-QRQLOZEOSA-N 2 1 350.572 3.379 20 0 FGADMP C[C@H](CSC(C)(C)C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000766120651 723556885 /nfs/dbraw/zinc/55/68/85/723556885.db2.gz AENJUUYNQWJQMK-QRQLOZEOSA-N 2 1 350.572 3.379 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000766251775 723564809 /nfs/dbraw/zinc/56/48/09/723564809.db2.gz FIEUNJIRSBNXLV-RTBURBONSA-N 2 1 352.567 3.157 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983874 724378970 /nfs/dbraw/zinc/37/89/70/724378970.db2.gz ABEHODXRPQAESL-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H]([C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983874 724378976 /nfs/dbraw/zinc/37/89/76/724378976.db2.gz ABEHODXRPQAESL-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc(Br)nn2C)C1 ZINC000785417988 724911432 /nfs/dbraw/zinc/91/14/32/724911432.db2.gz LYSZACHECYFATI-OKILXGFUSA-N 2 1 357.340 3.030 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788538171 725071606 /nfs/dbraw/zinc/07/16/06/725071606.db2.gz FLLXFDFIHFXRTD-CRAIPNDOSA-N 2 1 353.551 3.342 20 0 FGADMP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053313 727027364 /nfs/dbraw/zinc/02/73/64/727027364.db2.gz PBRRYADYTGDRHF-GUYCJALGSA-N 2 1 373.310 3.069 20 0 FGADMP C[N@@H+](C[C@H]1CCC[NH+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053313 727027367 /nfs/dbraw/zinc/02/73/67/727027367.db2.gz PBRRYADYTGDRHF-GUYCJALGSA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@H]1CCC[N@H+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053313 727027376 /nfs/dbraw/zinc/02/73/76/727027376.db2.gz PBRRYADYTGDRHF-GUYCJALGSA-N 2 1 373.310 3.069 20 0 FGADMP C[NH+](C[C@H]1CCC[N@@H+](C)C1)C[C@](C)(O)c1ccc(Br)cc1F ZINC000815053313 727027378 /nfs/dbraw/zinc/02/73/78/727027378.db2.gz PBRRYADYTGDRHF-GUYCJALGSA-N 2 1 373.310 3.069 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535011 727172485 /nfs/dbraw/zinc/17/24/85/727172485.db2.gz CBUOFOAXBVPLHQ-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816535013 727172747 /nfs/dbraw/zinc/17/27/47/727172747.db2.gz CBUOFOAXBVPLHQ-SJORKVTESA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)C1 ZINC000818984626 727334219 /nfs/dbraw/zinc/33/42/19/727334219.db2.gz JLZKGGSAJAKHNX-GUYCJALGSA-N 2 1 373.310 3.332 20 0 FGADMP CCO[C@@H](C)c1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000871786354 735545932 /nfs/dbraw/zinc/54/59/32/735545932.db2.gz ZFWKIRLXUBLGTF-YPRXJGMQSA-N 2 1 352.504 3.112 20 0 FGADMP CCO[C@@H](C)c1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000871786354 735545936 /nfs/dbraw/zinc/54/59/36/735545936.db2.gz ZFWKIRLXUBLGTF-YPRXJGMQSA-N 2 1 352.504 3.112 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000820811191 729033881 /nfs/dbraw/zinc/03/38/81/729033881.db2.gz MHMLLLVOWFQWRY-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccnc(Cl)c2F)c2cccs2)CC1 ZINC000823578554 729290292 /nfs/dbraw/zinc/29/02/92/729290292.db2.gz CBPAQCFGHYRPDI-CQSZACIVSA-N 2 1 368.909 3.014 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CCN1C(=O)OC(C)(C)C ZINC000823650042 729295905 /nfs/dbraw/zinc/29/59/05/729295905.db2.gz ZUWDLWYWLVGIJQ-BRWVUGGUSA-N 2 1 351.535 3.096 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)C1CCCCC1 ZINC000876708454 736135265 /nfs/dbraw/zinc/13/52/65/736135265.db2.gz QMNOHNIIALDBNO-RDJZCZTQSA-N 2 1 351.441 3.230 20 0 FGADMP CN(C(=O)/C(F)=C\C1CCCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000826948124 729419720 /nfs/dbraw/zinc/41/97/20/729419720.db2.gz ZSXAXIDRMKRFHL-OGBKAESYSA-N 2 1 351.510 3.047 20 0 FGADMP CN(C(=O)/C(F)=C\C1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000826948124 729419721 /nfs/dbraw/zinc/41/97/21/729419721.db2.gz ZSXAXIDRMKRFHL-OGBKAESYSA-N 2 1 351.510 3.047 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc(Cl)n1 ZINC000827103212 729424291 /nfs/dbraw/zinc/42/42/91/729424291.db2.gz GUILKUUOSWDOMA-RDJZCZTQSA-N 2 1 366.937 3.204 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000834566632 729814924 /nfs/dbraw/zinc/81/49/24/729814924.db2.gz PTLVZAFTUVTONT-BZSNNMDCSA-N 2 1 353.551 3.484 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566841 729815107 /nfs/dbraw/zinc/81/51/07/729815107.db2.gz TZSOQRRCVJNVTH-HLLBOEOZSA-N 2 1 350.507 3.205 20 0 FGADMP C[N@H+](CC(=O)OCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCSC1 ZINC000840394620 730142108 /nfs/dbraw/zinc/14/21/08/730142108.db2.gz GCAHABWEYNYDAN-IBGZPJMESA-N 2 1 362.539 3.153 20 0 FGADMP C[N@@H+](CC(=O)OCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCSC1 ZINC000840394620 730142110 /nfs/dbraw/zinc/14/21/10/730142110.db2.gz GCAHABWEYNYDAN-IBGZPJMESA-N 2 1 362.539 3.153 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000843358991 730610357 /nfs/dbraw/zinc/61/03/57/730610357.db2.gz ATCXXWJNKWPDMD-KBPBESRZSA-N 2 1 364.515 3.193 20 0 FGADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)n1 ZINC000843358991 730610368 /nfs/dbraw/zinc/61/03/68/730610368.db2.gz ATCXXWJNKWPDMD-KBPBESRZSA-N 2 1 364.515 3.193 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843398035 730614473 /nfs/dbraw/zinc/61/44/73/730614473.db2.gz RWMWMVAUXHXNBE-ZMSDIMECSA-N 2 1 350.507 3.063 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)C1 ZINC000843399555 730615012 /nfs/dbraw/zinc/61/50/12/730615012.db2.gz KYYOJDWVIUMLJM-FGTMMUONSA-N 2 1 353.551 3.342 20 0 FGADMP FC1(F)C[C@@]12CCC[NH+](CCOCC[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844438865 730718441 /nfs/dbraw/zinc/71/84/41/730718441.db2.gz TWCKZLBKOVSRHY-IYBDPMFKSA-N 2 1 364.427 3.245 20 0 FGADMP FC1(F)C[C@@]12CCC[N@@H+](CCOCC[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844438865 730718444 /nfs/dbraw/zinc/71/84/44/730718444.db2.gz TWCKZLBKOVSRHY-IYBDPMFKSA-N 2 1 364.427 3.245 20 0 FGADMP FC1(F)C[C@@]12CCC[N@H+](CCOCC[NH+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844438865 730718446 /nfs/dbraw/zinc/71/84/46/730718446.db2.gz TWCKZLBKOVSRHY-IYBDPMFKSA-N 2 1 364.427 3.245 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000846900418 730993073 /nfs/dbraw/zinc/99/30/73/730993073.db2.gz HNPJRPXAEQMZMZ-MRXNPFEDSA-N 2 1 350.507 3.122 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000846900418 730993074 /nfs/dbraw/zinc/99/30/74/730993074.db2.gz HNPJRPXAEQMZMZ-MRXNPFEDSA-N 2 1 350.507 3.122 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849050925 731224397 /nfs/dbraw/zinc/22/43/97/731224397.db2.gz OOQMLTQLVUDERW-AWEZNQCLSA-N 2 1 358.408 3.074 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1nc2cc(Cl)ccc2s1 ZINC000849057680 731224824 /nfs/dbraw/zinc/22/48/24/731224824.db2.gz IYUAPWFOJAVVHO-CYBMUJFWSA-N 2 1 365.934 3.090 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1c(C)cc(Br)cc1C ZINC000849073300 731226147 /nfs/dbraw/zinc/22/61/47/731226147.db2.gz GHDKLIFSEWBXDM-OAHLLOKOSA-N 2 1 367.335 3.164 20 0 FGADMP C[C@]1(CNC(=[NH2+])NCCc2cccs2)CCC[N@H+]1Cc1ccccc1 ZINC000849098300 731229049 /nfs/dbraw/zinc/22/90/49/731229049.db2.gz WHPVSMMHXFQFJO-HXUWFJFHSA-N 2 1 356.539 3.459 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000849108036 731230008 /nfs/dbraw/zinc/23/00/08/731230008.db2.gz VDAMUGVWBCNRDT-CJNGLKHVSA-N 2 1 356.436 3.407 20 0 FGADMP CCOC(=O)NC1CCC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000850425562 731355802 /nfs/dbraw/zinc/35/58/02/731355802.db2.gz UQDKJDZIDVOLBK-LPOKXYRGSA-N 2 1 353.551 3.391 20 0 FGADMP CCOC(=O)NC1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000850456628 731358899 /nfs/dbraw/zinc/35/88/99/731358899.db2.gz ASXFINDMZTWGOE-VEZWFGLTSA-N 2 1 351.535 3.286 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC[C@H]3COC(C)(C)O3)C2)s1 ZINC000852023834 731534780 /nfs/dbraw/zinc/53/47/80/731534780.db2.gz YKBNKRGVZZVLFL-IRXDYDNUSA-N 2 1 352.544 3.352 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC[C@H]3COC(C)(C)O3)C2)s1 ZINC000852023834 731534786 /nfs/dbraw/zinc/53/47/86/731534786.db2.gz YKBNKRGVZZVLFL-IRXDYDNUSA-N 2 1 352.544 3.352 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853241464 731686711 /nfs/dbraw/zinc/68/67/11/731686711.db2.gz VMURLYDJISTQDW-RCCFBDPRSA-N 2 1 351.535 3.144 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000858490778 732220129 /nfs/dbraw/zinc/22/01/29/732220129.db2.gz OHNQKNNUDKJFGT-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)CC(F)(F)F ZINC000865406296 733192404 /nfs/dbraw/zinc/19/24/04/733192404.db2.gz OUZSUKDJQJGHIV-CYBMUJFWSA-N 2 1 365.440 3.049 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000866467778 733354187 /nfs/dbraw/zinc/35/41/87/733354187.db2.gz PZYIAVMCNLAVFS-HSFUPAIVSA-N 2 1 351.535 3.285 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C(F)(F)F ZINC000872151063 735596485 /nfs/dbraw/zinc/59/64/85/735596485.db2.gz UFSQCCFWVYSHKE-WCQYABFASA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C(F)(F)F ZINC000872151063 735596487 /nfs/dbraw/zinc/59/64/87/735596487.db2.gz UFSQCCFWVYSHKE-WCQYABFASA-N 2 1 374.794 3.002 20 0 FGADMP C[S@](=O)CCC[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877051996 736181316 /nfs/dbraw/zinc/18/13/16/736181316.db2.gz QCRVPECTDCKQMU-YKSBVNFPSA-N 2 1 350.572 3.283 20 0 FGADMP C[N@@H+](CC1(CNC(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000877518065 736677970 /nfs/dbraw/zinc/67/79/70/736677970.db2.gz RFDYXEWWEMSKHB-SJPCQFCGSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+](CC1(CNC(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000877518065 736677973 /nfs/dbraw/zinc/67/79/73/736677973.db2.gz RFDYXEWWEMSKHB-SJPCQFCGSA-N 2 1 351.535 3.238 20 0 FGADMP C[NH+](CC1(CNC(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877518065 736677975 /nfs/dbraw/zinc/67/79/75/736677975.db2.gz RFDYXEWWEMSKHB-SJPCQFCGSA-N 2 1 351.535 3.238 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Br ZINC000877653920 736700718 /nfs/dbraw/zinc/70/07/18/736700718.db2.gz RNOTXULTXMYDSZ-CQSZACIVSA-N 2 1 369.303 3.057 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Br ZINC000877653920 736700722 /nfs/dbraw/zinc/70/07/22/736700722.db2.gz RNOTXULTXMYDSZ-CQSZACIVSA-N 2 1 369.303 3.057 20 0 FGADMP COCC[N@H+](Cc1cc2c(ccnc2Cl)o1)CC1CC[NH+](C)CC1 ZINC000877664088 736701129 /nfs/dbraw/zinc/70/11/29/736701129.db2.gz GWIFAKCKTVSFCB-UHFFFAOYSA-N 2 1 351.878 3.271 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743203 736713084 /nfs/dbraw/zinc/71/30/84/736713084.db2.gz IWPOQPXFDVAGBL-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743203 736713085 /nfs/dbraw/zinc/71/30/85/736713085.db2.gz IWPOQPXFDVAGBL-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743203 736713087 /nfs/dbraw/zinc/71/30/87/736713087.db2.gz IWPOQPXFDVAGBL-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@H]21 ZINC000877743203 736713088 /nfs/dbraw/zinc/71/30/88/736713088.db2.gz IWPOQPXFDVAGBL-QZTJIDSGSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCN(C2CC[NH+](CCOc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC000879592696 737011968 /nfs/dbraw/zinc/01/19/68/737011968.db2.gz NNHNIYZVWMYTDR-UHFFFAOYSA-N 2 1 372.340 3.084 20 0 FGADMP CCOC(=O)c1csc(CC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000880263245 737143829 /nfs/dbraw/zinc/14/38/29/737143829.db2.gz HTZMATLIYDMKBR-INIZCTEOSA-N 2 1 365.543 3.059 20 0 FGADMP C[C@H](OC[C@@H](O)C[NH+]1CCC(C)([NH+]2CCC2)CC1)c1ccc(Cl)cc1 ZINC000880471058 737177489 /nfs/dbraw/zinc/17/74/89/737177489.db2.gz OOFSGRTWKFDZCK-LPHOPBHVSA-N 2 1 366.933 3.339 20 0 FGADMP C([NH2+][C@H]1CCOC2(CCOCC2)C1)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000885977132 739205837 /nfs/dbraw/zinc/20/58/37/739205837.db2.gz FFGZFSQWUPLCSF-PMACEKPBSA-N 2 1 350.547 3.349 20 0 FGADMP CCC1([NH3+])CCN(C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000891596470 739919289 /nfs/dbraw/zinc/91/92/89/739919289.db2.gz CGRKYKXJEGOWFA-WBVHZDCISA-N 2 1 364.559 3.044 20 0 FGADMP COc1ccc2[nH+]ccc(N3CCC[N@H+](Cc4cscn4)CC3)c2c1 ZINC000892297465 739984186 /nfs/dbraw/zinc/98/41/86/739984186.db2.gz OSSBMRONXMZCND-UHFFFAOYSA-N 2 1 354.479 3.412 20 0 FGADMP COc1ccc2[nH+]ccc(N3CCC[N@@H+](Cc4cscn4)CC3)c2c1 ZINC000892297465 739984188 /nfs/dbraw/zinc/98/41/88/739984188.db2.gz OSSBMRONXMZCND-UHFFFAOYSA-N 2 1 354.479 3.412 20 0 FGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)N1CCc2sccc2C1 ZINC000892854628 740050974 /nfs/dbraw/zinc/05/09/74/740050974.db2.gz VGESYOBOBVNFMS-HQSKLWIPSA-N 2 1 361.555 3.016 20 0 FGADMP CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)N1CCc2sccc2C1 ZINC000892854628 740050978 /nfs/dbraw/zinc/05/09/78/740050978.db2.gz VGESYOBOBVNFMS-HQSKLWIPSA-N 2 1 361.555 3.016 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894550628 742298005 /nfs/dbraw/zinc/29/80/05/742298005.db2.gz ZSDMNWKQFWDJIC-KBUPBQIOSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C[C@H]1C(F)(F)F ZINC000894550628 742298007 /nfs/dbraw/zinc/29/80/07/742298007.db2.gz ZSDMNWKQFWDJIC-KBUPBQIOSA-N 2 1 352.441 3.215 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)[C@H]1c1cccs1 ZINC000900829720 743180434 /nfs/dbraw/zinc/18/04/34/743180434.db2.gz XNKVZTWGDCHEMD-DFEOGRTESA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@H]1c1cccs1 ZINC000900829720 743180440 /nfs/dbraw/zinc/18/04/40/743180440.db2.gz XNKVZTWGDCHEMD-DFEOGRTESA-N 2 1 361.555 3.264 20 0 FGADMP C[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)[C@H]1c1cccs1 ZINC000900829720 743180444 /nfs/dbraw/zinc/18/04/44/743180444.db2.gz XNKVZTWGDCHEMD-DFEOGRTESA-N 2 1 361.555 3.264 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902832358 743778684 /nfs/dbraw/zinc/77/86/84/743778684.db2.gz UMKVLAAKFGFWSC-FPOVZHCZSA-N 2 1 352.563 3.451 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3Br)C2)C1 ZINC000903461911 743853246 /nfs/dbraw/zinc/85/32/46/743853246.db2.gz ZZDNKCXDHWZIIY-XPKDYRNWSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496303 743856419 /nfs/dbraw/zinc/85/64/19/743856419.db2.gz IZGIBCUZEAXFNC-BZUAXINKSA-N 2 1 364.559 3.114 20 0 FGADMP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)Nc2ccccc2Cl)CC1 ZINC000903794490 743884826 /nfs/dbraw/zinc/88/48/26/743884826.db2.gz XISHTQMGIREGRF-UHFFFAOYSA-N 2 1 357.885 3.271 20 0 FGADMP CCCOc1c(Cl)cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000903955495 743904624 /nfs/dbraw/zinc/90/46/24/743904624.db2.gz SYVKLOQEMLUUEU-ZDUSSCGKSA-N 2 1 362.848 3.472 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000904405711 743952839 /nfs/dbraw/zinc/95/28/39/743952839.db2.gz NASVKOWSBGFRKC-AWEZNQCLSA-N 2 1 363.303 3.114 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126713 757883724 /nfs/dbraw/zinc/88/37/24/757883724.db2.gz LLKHGRBEYYEXJH-SJORKVTESA-N 2 1 368.616 3.079 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386562 758909238 /nfs/dbraw/zinc/90/92/38/758909238.db2.gz ICYHLNQZDXQZAG-BRSBDYLESA-N 2 1 356.432 3.275 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386057 758909422 /nfs/dbraw/zinc/90/94/22/758909422.db2.gz DZKZXSQLQFMUKN-LUYZLQTOSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386755 758909550 /nfs/dbraw/zinc/90/95/50/758909550.db2.gz IHGWDKNHIQNPEE-KONPQCLYSA-N 2 1 374.497 3.305 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385292 758909568 /nfs/dbraw/zinc/90/95/68/758909568.db2.gz ADXWLKUOVHNEMK-LVQVYYBASA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@@H]1C(C)C ZINC000922392790 758912999 /nfs/dbraw/zinc/91/29/99/758912999.db2.gz HFZITNCXAWMMDX-JZGRTCEGSA-N 2 1 352.906 3.005 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@H]1C(C)C ZINC000922393685 758913651 /nfs/dbraw/zinc/91/36/51/758913651.db2.gz SDQFGRFCEKSDLB-SRABZTEZSA-N 2 1 371.319 3.002 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488978 759130599 /nfs/dbraw/zinc/13/05/99/759130599.db2.gz VNEXPWAABHETDC-WDEREUQCSA-N 2 1 363.811 3.357 20 0 FGADMP [NH3+]CC[C@H]1CC[N@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000923490984 759130666 /nfs/dbraw/zinc/13/06/66/759130666.db2.gz GOYHZODKGPNQBD-VIFPVBQESA-N 2 1 350.677 3.256 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)Nc2cc(Cl)c(Cl)cc2Cl)C1 ZINC000923490984 759130672 /nfs/dbraw/zinc/13/06/72/759130672.db2.gz GOYHZODKGPNQBD-VIFPVBQESA-N 2 1 350.677 3.256 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488338 759130887 /nfs/dbraw/zinc/13/08/87/759130887.db2.gz RZYWAAGPKFLYHP-VXGBXAGGSA-N 2 1 354.376 3.487 20 0 FGADMP COc1cccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c1OC ZINC000923498769 759132452 /nfs/dbraw/zinc/13/24/52/759132452.db2.gz PVSXTJMVQMLPJD-KGLIPLIRSA-N 2 1 361.511 3.244 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000924698463 759373215 /nfs/dbraw/zinc/37/32/15/759373215.db2.gz ZNRDOAZLIOIJAE-JJRVBVJISA-N 2 1 350.304 3.438 20 0 FGADMP Brc1cnc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCC2 ZINC000924698463 759373222 /nfs/dbraw/zinc/37/32/22/759373222.db2.gz ZNRDOAZLIOIJAE-JJRVBVJISA-N 2 1 350.304 3.438 20 0 FGADMP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000924811128 759397181 /nfs/dbraw/zinc/39/71/81/759397181.db2.gz OTXCDEFSUOIPKG-INIZCTEOSA-N 2 1 352.544 3.251 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964157 759424489 /nfs/dbraw/zinc/42/44/89/759424489.db2.gz JKMHVSQVSQPWHF-NWDGAFQWSA-N 2 1 363.449 3.005 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1csc(C(F)(F)F)c1 ZINC000924964157 759424492 /nfs/dbraw/zinc/42/44/92/759424492.db2.gz JKMHVSQVSQPWHF-NWDGAFQWSA-N 2 1 363.449 3.005 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)[C@@H]1c1cccs1 ZINC000925133393 759452511 /nfs/dbraw/zinc/45/25/11/759452511.db2.gz CVQYZNFQMLHCAS-KBAYOESNSA-N 2 1 350.528 3.059 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)[C@@H]1c1cccs1 ZINC000925133393 759452512 /nfs/dbraw/zinc/45/25/12/759452512.db2.gz CVQYZNFQMLHCAS-KBAYOESNSA-N 2 1 350.528 3.059 20 0 FGADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)nc(C)[nH+]1 ZINC000925827650 759552849 /nfs/dbraw/zinc/55/28/49/759552849.db2.gz ANIHYLOORQEGAC-PBHICJAKSA-N 2 1 357.889 3.388 20 0 FGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCCC[NH+]1CCNCC1 ZINC000925842586 759555941 /nfs/dbraw/zinc/55/59/41/759555941.db2.gz AYIDTUUEMLMPPZ-SJORKVTESA-N 2 1 360.571 3.453 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1(Br)CC1 ZINC000926126899 759658641 /nfs/dbraw/zinc/65/86/41/759658641.db2.gz SOJTXJFLSJGVKA-WMLDXEAASA-N 2 1 367.331 3.049 20 0 FGADMP CO[C@@H](CN1CCC([N@H+]2CCCOCC2)CC1)c1ccc(Cl)cc1 ZINC000931286741 760817280 /nfs/dbraw/zinc/81/72/80/760817280.db2.gz IKTQTGGHQFDCFG-IBGZPJMESA-N 2 1 352.906 3.214 20 0 FGADMP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1)c1ccccc1Cl ZINC000996603574 765019254 /nfs/dbraw/zinc/01/92/54/765019254.db2.gz PIZZZRLTJZJFRQ-IIDMSEBBSA-N 2 1 363.933 3.322 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000998013177 765091209 /nfs/dbraw/zinc/09/12/09/765091209.db2.gz PSQAHBULGFWSLI-NZSAHSFTSA-N 2 1 363.571 3.291 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000998013177 765091215 /nfs/dbraw/zinc/09/12/15/765091215.db2.gz PSQAHBULGFWSLI-NZSAHSFTSA-N 2 1 363.571 3.291 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@H]1CCC[NH+](Cc2ccsc2)CC1 ZINC000998013177 765091221 /nfs/dbraw/zinc/09/12/21/765091221.db2.gz PSQAHBULGFWSLI-NZSAHSFTSA-N 2 1 363.571 3.291 20 0 FGADMP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001001420359 765286989 /nfs/dbraw/zinc/28/69/89/765286989.db2.gz IUPFCSYNNYPMOA-DNVCBOLYSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC001002859247 765349098 /nfs/dbraw/zinc/34/90/98/765349098.db2.gz MXZJKMGNAGVEPF-RBUKOAKNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC001005406540 765468635 /nfs/dbraw/zinc/46/86/35/765468635.db2.gz DSBZURUGGBBJBC-CRAIPNDOSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(Cl)cc3Cl)C2)CC[N@H+]1C ZINC001018866935 765846169 /nfs/dbraw/zinc/84/61/69/765846169.db2.gz DOLRWIGPZZLAJZ-UHOFOFEASA-N 2 1 370.324 3.024 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@H+]1C ZINC001020170921 765866149 /nfs/dbraw/zinc/86/61/49/765866149.db2.gz DDCKRTOVFPBZST-RAEVTNRLSA-N 2 1 370.324 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001020174901 765866738 /nfs/dbraw/zinc/86/67/38/765866738.db2.gz XCCSCBIWSWCQSJ-AUEKSGIPSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H]([NH2+][C@@H](C)c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001020174607 765866899 /nfs/dbraw/zinc/86/68/99/765866899.db2.gz JBSMYDPIRBHVRG-AUEKSGIPSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001026855572 766083389 /nfs/dbraw/zinc/08/33/89/766083389.db2.gz JUFSECPAJMVBTC-VNQPRFMTSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)Cc3csc(C)c3)C2)CC[N@H+]1C ZINC001029742752 766151165 /nfs/dbraw/zinc/15/11/65/766151165.db2.gz YFAQAKCGXCLZOP-NZSAHSFTSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001029742752 766151166 /nfs/dbraw/zinc/15/11/66/766151166.db2.gz YFAQAKCGXCLZOP-NZSAHSFTSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[N@@H+](C)Cc3csc(C)c3)C2)CC[NH+]1C ZINC001029742752 766151168 /nfs/dbraw/zinc/15/11/68/766151168.db2.gz YFAQAKCGXCLZOP-NZSAHSFTSA-N 2 1 363.571 3.067 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001046334424 766587249 /nfs/dbraw/zinc/58/72/49/766587249.db2.gz MSRLFEZKUGKTCO-NSHGMRRFSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001046334424 766587257 /nfs/dbraw/zinc/58/72/57/766587257.db2.gz MSRLFEZKUGKTCO-NSHGMRRFSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001046334424 766587264 /nfs/dbraw/zinc/58/72/64/766587264.db2.gz MSRLFEZKUGKTCO-NSHGMRRFSA-N 2 1 363.571 3.176 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CO2 ZINC000102421872 257350622 /nfs/dbraw/zinc/35/06/22/257350622.db2.gz SFESDXLGVJJLJE-CYBMUJFWSA-N 2 1 363.299 3.299 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573651579 505587579 /nfs/dbraw/zinc/58/75/79/505587579.db2.gz KPPBWUZYQLRUJQ-TZIWHRDSSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573651579 505587581 /nfs/dbraw/zinc/58/75/81/505587581.db2.gz KPPBWUZYQLRUJQ-TZIWHRDSSA-N 2 1 374.573 3.318 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573651579 505587584 /nfs/dbraw/zinc/58/75/84/505587584.db2.gz KPPBWUZYQLRUJQ-TZIWHRDSSA-N 2 1 374.573 3.318 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2csc(-c3ccccc3F)n2)CC1 ZINC000567990665 505591298 /nfs/dbraw/zinc/59/12/98/505591298.db2.gz VOZWZRYPTKHYJY-MSOLQXFVSA-N 2 1 361.486 3.277 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000573666832 505591827 /nfs/dbraw/zinc/59/18/27/505591827.db2.gz VXPHBSBIGAUDGL-INIZCTEOSA-N 2 1 374.529 3.191 20 0 FGADMP CC(C)N(Cc1cc(Br)ccc1F)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000573730559 505606313 /nfs/dbraw/zinc/60/63/13/505606313.db2.gz BXANOHUHESVCQA-MRXNPFEDSA-N 2 1 373.310 3.254 20 0 FGADMP CCc1cc(N2CCC([NH2+][C@@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)ncn1 ZINC000570908882 505609056 /nfs/dbraw/zinc/60/90/56/505609056.db2.gz JKIYJNRYMCDZGF-RTWAWAEBSA-N 2 1 365.525 3.091 20 0 FGADMP C[NH+](C)Cc1cc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000568199055 505641939 /nfs/dbraw/zinc/64/19/39/505641939.db2.gz OWXQEBIIBBFLDA-IBGZPJMESA-N 2 1 369.484 3.026 20 0 FGADMP Cc1ncc2n1C[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083219 505674526 /nfs/dbraw/zinc/67/45/26/505674526.db2.gz KTBJCURVHTYQJN-PZJWPPBQSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)CC2 ZINC000580083219 505674534 /nfs/dbraw/zinc/67/45/34/505674534.db2.gz KTBJCURVHTYQJN-PZJWPPBQSA-N 2 1 368.525 3.027 20 0 FGADMP CSc1ccc(OC[C@H](O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000574019064 505675313 /nfs/dbraw/zinc/67/53/13/505675313.db2.gz AOAURPLYLZSQAB-GOSISDBHSA-N 2 1 366.571 3.200 20 0 FGADMP CC[NH+]1CCC(NC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000047978699 493768278 /nfs/dbraw/zinc/76/82/78/493768278.db2.gz TVWINQMTJUYAOD-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)CCCCCn3cccn3)CC2)nc(C)[nH+]1 ZINC000080967944 493804221 /nfs/dbraw/zinc/80/42/21/493804221.db2.gz JRQDKNYSBXNGIR-UHFFFAOYSA-N 2 1 356.518 3.061 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)CCCCCn3cccn3)CC2)nc(C)[nH+]1 ZINC000080967944 493804224 /nfs/dbraw/zinc/80/42/24/493804224.db2.gz JRQDKNYSBXNGIR-UHFFFAOYSA-N 2 1 356.518 3.061 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000076003046 493808323 /nfs/dbraw/zinc/80/83/23/493808323.db2.gz RPASNPOGEAYKMR-HNNXBMFYSA-N 2 1 367.921 3.341 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC000568387000 505682524 /nfs/dbraw/zinc/68/25/24/505682524.db2.gz JTMLYGGFTLZOPF-HLIPFELVSA-N 2 1 359.514 3.253 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095517 493830780 /nfs/dbraw/zinc/83/07/80/493830780.db2.gz CBCSJPHYZLMAGG-RHSMWYFYSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095517 493830787 /nfs/dbraw/zinc/83/07/87/493830787.db2.gz CBCSJPHYZLMAGG-RHSMWYFYSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)[C@H](C)C1 ZINC000081095517 493830789 /nfs/dbraw/zinc/83/07/89/493830789.db2.gz CBCSJPHYZLMAGG-RHSMWYFYSA-N 2 1 367.921 3.339 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000081156061 493839312 /nfs/dbraw/zinc/83/93/12/493839312.db2.gz IRVWNLGDECVGEK-UHFFFAOYSA-N 2 1 357.542 3.137 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)Cc3cc(C)cc(C)c3)CC2)CC1 ZINC000571224054 505683636 /nfs/dbraw/zinc/68/36/36/505683636.db2.gz PEIQWBQZTOKJOZ-UHFFFAOYSA-N 2 1 371.569 3.458 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1F ZINC000076330842 493866812 /nfs/dbraw/zinc/86/68/12/493866812.db2.gz GUVYRWAFCYXHOR-HNNXBMFYSA-N 2 1 370.900 3.359 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@H](C)CC1 ZINC000068829392 493880152 /nfs/dbraw/zinc/88/01/52/493880152.db2.gz DZQDSBJCOZESET-OALUTQOASA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000060546921 493943579 /nfs/dbraw/zinc/94/35/79/493943579.db2.gz WRRJZYDYRYXDLJ-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000060546921 493943583 /nfs/dbraw/zinc/94/35/83/493943583.db2.gz WRRJZYDYRYXDLJ-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[NH+]1CCCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000060546921 493943586 /nfs/dbraw/zinc/94/35/86/493943586.db2.gz WRRJZYDYRYXDLJ-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000051123485 493950089 /nfs/dbraw/zinc/95/00/89/493950089.db2.gz YIAXJEWZSAIWCX-UHFFFAOYSA-N 2 1 365.521 3.208 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000051123485 493950094 /nfs/dbraw/zinc/95/00/94/493950094.db2.gz YIAXJEWZSAIWCX-UHFFFAOYSA-N 2 1 365.521 3.208 20 0 FGADMP CC(C)[NH+](CCNC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)C(C)C ZINC000060955432 493960754 /nfs/dbraw/zinc/96/07/54/493960754.db2.gz SJJXXLZRIRYRQA-UHFFFAOYSA-N 2 1 374.573 3.241 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000052209779 494011605 /nfs/dbraw/zinc/01/16/05/494011605.db2.gz PXQQFYVQSMVXTC-UHFFFAOYSA-N 2 1 365.949 3.400 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000077274488 494045898 /nfs/dbraw/zinc/04/58/98/494045898.db2.gz HBQRMKIIFGHOEU-BGYRXZFFSA-N 2 1 351.579 3.216 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000077274488 494045902 /nfs/dbraw/zinc/04/59/02/494045902.db2.gz HBQRMKIIFGHOEU-BGYRXZFFSA-N 2 1 351.579 3.216 20 0 FGADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449926 505696302 /nfs/dbraw/zinc/69/63/02/505696302.db2.gz AWLAZVSUFCQRAJ-SFTDATJTSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449926 505696306 /nfs/dbraw/zinc/69/63/06/505696306.db2.gz AWLAZVSUFCQRAJ-SFTDATJTSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449926 505696309 /nfs/dbraw/zinc/69/63/09/505696309.db2.gz AWLAZVSUFCQRAJ-SFTDATJTSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)N(C(=O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C(C)C ZINC000568449926 505696312 /nfs/dbraw/zinc/69/63/12/505696312.db2.gz AWLAZVSUFCQRAJ-SFTDATJTSA-N 2 1 357.542 3.086 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C(C)C)CC1 ZINC000063619096 494071111 /nfs/dbraw/zinc/07/11/11/494071111.db2.gz MSVVZKHCFJQRMC-OAQYLSRUSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C(C)C)CC1 ZINC000063619096 494071114 /nfs/dbraw/zinc/07/11/14/494071114.db2.gz MSVVZKHCFJQRMC-OAQYLSRUSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C(C)C)CC1 ZINC000063619096 494071116 /nfs/dbraw/zinc/07/11/16/494071116.db2.gz MSVVZKHCFJQRMC-OAQYLSRUSA-N 2 1 357.542 3.150 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000064225346 494107477 /nfs/dbraw/zinc/10/74/77/494107477.db2.gz YNYFLYWXZLNVPZ-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000086359825 494149443 /nfs/dbraw/zinc/14/94/43/494149443.db2.gz NEEWFPPXFJDZQU-KRWDZBQOSA-N 2 1 369.513 3.417 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000571313484 505704597 /nfs/dbraw/zinc/70/45/97/505704597.db2.gz CGHSYTPEXQYWJU-FQEVSTJZSA-N 2 1 352.482 3.240 20 0 FGADMP c1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000072718423 494239698 /nfs/dbraw/zinc/23/96/98/494239698.db2.gz FYWDXQMGADJFGF-GOSISDBHSA-N 2 1 354.498 3.477 20 0 FGADMP c1ccc(-c2noc(CCC[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)n2)cc1 ZINC000072718423 494239701 /nfs/dbraw/zinc/23/97/01/494239701.db2.gz FYWDXQMGADJFGF-GOSISDBHSA-N 2 1 354.498 3.477 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000054718329 494264608 /nfs/dbraw/zinc/26/46/08/494264608.db2.gz YJPNKPYRZDKPCA-AZUAARDMSA-N 2 1 360.546 3.240 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000043231290 494277204 /nfs/dbraw/zinc/27/72/04/494277204.db2.gz ZPJQUTFCAUIHRI-SJORKVTESA-N 2 1 364.559 3.059 20 0 FGADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)cc1 ZINC000072895464 494277478 /nfs/dbraw/zinc/27/74/78/494277478.db2.gz JAJUNSYYOJCKDC-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000072966063 494293216 /nfs/dbraw/zinc/29/32/16/494293216.db2.gz IAMUQEWUXGMEGH-GGPKGHCWSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000072966063 494293219 /nfs/dbraw/zinc/29/32/19/494293219.db2.gz IAMUQEWUXGMEGH-GGPKGHCWSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000072966063 494293223 /nfs/dbraw/zinc/29/32/23/494293223.db2.gz IAMUQEWUXGMEGH-GGPKGHCWSA-N 2 1 364.505 3.152 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(F)cc2)C1 ZINC000072966063 494293226 /nfs/dbraw/zinc/29/32/26/494293226.db2.gz IAMUQEWUXGMEGH-GGPKGHCWSA-N 2 1 364.505 3.152 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523138 494313445 /nfs/dbraw/zinc/31/34/45/494313445.db2.gz SSCZEDVZGLAYOW-QUCCMNQESA-N 2 1 360.546 3.017 20 0 FGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000580250754 505713190 /nfs/dbraw/zinc/71/31/90/505713190.db2.gz NOAHFRFHIPMUPF-QUCCMNQESA-N 3 1 361.599 3.457 20 0 FGADMP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH+](C)CC1 ZINC000580250754 505713194 /nfs/dbraw/zinc/71/31/94/505713194.db2.gz NOAHFRFHIPMUPF-QUCCMNQESA-N 2 1 361.599 3.457 20 0 FGADMP O=C(NCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1cccs1 ZINC000089641467 494337110 /nfs/dbraw/zinc/33/71/10/494337110.db2.gz PLXYHMGQNXYDKX-UHFFFAOYSA-N 2 1 371.550 3.165 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1cccc(C)c1 ZINC000580259589 505715069 /nfs/dbraw/zinc/71/50/69/505715069.db2.gz OUEPKVQQWNKHOU-OAQYLSRUSA-N 2 1 369.557 3.233 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000066568265 494357581 /nfs/dbraw/zinc/35/75/81/494357581.db2.gz YTQZLOAAONYCTQ-UHFFFAOYSA-N 2 1 363.933 3.106 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OCc1c(C)noc1C ZINC000017314092 494413047 /nfs/dbraw/zinc/41/30/47/494413047.db2.gz IZAHDBBXGSKWDZ-UHFFFAOYSA-N 2 1 359.470 3.063 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(=O)NCC(F)(F)F ZINC000079303712 494432762 /nfs/dbraw/zinc/43/27/62/494432762.db2.gz AEHJIOBGJZHYCO-CABCVRRESA-N 2 1 371.447 3.075 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000073967686 494457821 /nfs/dbraw/zinc/45/78/21/494457821.db2.gz NHXJMEQINSRSJT-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000074104299 494481992 /nfs/dbraw/zinc/48/19/92/494481992.db2.gz WVOJFJFJMKFZSQ-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000074104299 494481996 /nfs/dbraw/zinc/48/19/96/494481996.db2.gz WVOJFJFJMKFZSQ-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000074104299 494482001 /nfs/dbraw/zinc/48/20/01/494482001.db2.gz WVOJFJFJMKFZSQ-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CCc1ccc([C@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+](C)C)cc1 ZINC000074188155 494494340 /nfs/dbraw/zinc/49/43/40/494494340.db2.gz TXKTWUGYGROUPU-IBGZPJMESA-N 2 1 356.514 3.378 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000074211008 494498425 /nfs/dbraw/zinc/49/84/25/494498425.db2.gz MIDRDPISRUCCQX-OHSMVPPVSA-N 2 1 372.557 3.430 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000074265200 494507050 /nfs/dbraw/zinc/50/70/50/494507050.db2.gz UINAKJNJJNZVTJ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000074265200 494507054 /nfs/dbraw/zinc/50/70/54/494507054.db2.gz UINAKJNJJNZVTJ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000074265200 494507057 /nfs/dbraw/zinc/50/70/57/494507057.db2.gz UINAKJNJJNZVTJ-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP c1ccc(C[NH+]2CCC([NH2+]C3CCN(Cc4ccccn4)CC3)CC2)cc1 ZINC000079742722 494519041 /nfs/dbraw/zinc/51/90/41/494519041.db2.gz KZQCKIYKUIJULW-UHFFFAOYSA-N 2 1 364.537 3.300 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000080095250 494591946 /nfs/dbraw/zinc/59/19/46/494591946.db2.gz MAOMGJMXDRQQDL-DYXWJJEUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080114997 494603093 /nfs/dbraw/zinc/60/30/93/494603093.db2.gz YTUYTPDWXMVUKJ-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000080153717 494615915 /nfs/dbraw/zinc/61/59/15/494615915.db2.gz OHNGXOFVUJLHTD-WIYYLYMNSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177564 494668815 /nfs/dbraw/zinc/66/88/15/494668815.db2.gz OFLACAWGSNWYRJ-LEWJYISDSA-N 2 1 369.484 3.209 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cccc(CO)c3)cc2)CC1 ZINC000121268068 494673886 /nfs/dbraw/zinc/67/38/86/494673886.db2.gz KWASWXVPCZWPCD-LJQANCHMSA-N 2 1 367.537 3.167 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1OC ZINC000092587377 494677110 /nfs/dbraw/zinc/67/71/10/494677110.db2.gz UBMPVBFAMULBRU-CALCHBBNSA-N 2 1 362.514 3.025 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cc(-c4ccccc4)n[nH]3)CC2)C[C@H](C)O1 ZINC000092587602 494678356 /nfs/dbraw/zinc/67/83/56/494678356.db2.gz VLZFYSNBZRTOGO-HDICACEKSA-N 2 1 368.525 3.398 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000075158496 494699185 /nfs/dbraw/zinc/69/91/85/494699185.db2.gz QDJTXXLPBDSLHF-INIZCTEOSA-N 2 1 357.498 3.441 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092693455 494714758 /nfs/dbraw/zinc/71/47/58/494714758.db2.gz WLNUAMQVDOAHGG-FQEVSTJZSA-N 2 1 358.530 3.021 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000568619726 505738624 /nfs/dbraw/zinc/73/86/24/505738624.db2.gz GHYVVWLTSIJYMS-UGKGYDQZSA-N 2 1 368.521 3.415 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccn(-c3ccccc3)n2)CC1 ZINC000080650623 494754542 /nfs/dbraw/zinc/75/45/42/494754542.db2.gz YTCYCHOJARGPFC-UHFFFAOYSA-N 2 1 356.514 3.195 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(OC)c4ccccc34)C2)CC1 ZINC000093133381 494831091 /nfs/dbraw/zinc/83/10/91/494831091.db2.gz OJYGPGXUBXUPQW-IBGZPJMESA-N 2 1 353.510 3.060 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000093141714 494834532 /nfs/dbraw/zinc/83/45/32/494834532.db2.gz LYDDRDIYEVRDDL-FCHUYYIVSA-N 2 1 369.553 3.056 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000093147272 494834947 /nfs/dbraw/zinc/83/49/47/494834947.db2.gz LCOWNERHEGBVPL-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(-c3cccnc3)c2)CC1 ZINC000093147272 494834951 /nfs/dbraw/zinc/83/49/51/494834951.db2.gz LCOWNERHEGBVPL-HSZRJFAPSA-N 2 1 364.537 3.351 20 0 FGADMP C[C@@H]1COCC[N@H+]1C1CCN(CCOc2ccccc2C(F)(F)F)CC1 ZINC000568650282 505745015 /nfs/dbraw/zinc/74/50/15/505745015.db2.gz STIZDZAZYUWBQX-OAHLLOKOSA-N 2 1 372.431 3.269 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384480 505746082 /nfs/dbraw/zinc/74/60/82/505746082.db2.gz XENLKMVJRVCCKS-QUCCMNQESA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384480 505746086 /nfs/dbraw/zinc/74/60/86/505746086.db2.gz XENLKMVJRVCCKS-QUCCMNQESA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384480 505746088 /nfs/dbraw/zinc/74/60/88/505746088.db2.gz XENLKMVJRVCCKS-QUCCMNQESA-N 2 1 350.462 3.369 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4cccc5c4OCO5)C[C@@H]3C2)cc1 ZINC000580384480 505746092 /nfs/dbraw/zinc/74/60/92/505746092.db2.gz XENLKMVJRVCCKS-QUCCMNQESA-N 2 1 350.462 3.369 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000109338883 494861797 /nfs/dbraw/zinc/86/17/97/494861797.db2.gz GTAPBPBYIIDGRV-IBGZPJMESA-N 2 1 373.516 3.125 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCN(C)c1ccccc1 ZINC000132469023 494879791 /nfs/dbraw/zinc/87/97/91/494879791.db2.gz IJXUAIRRQXFBMS-HJNYFJLDSA-N 2 1 359.558 3.382 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)CC(C)C ZINC000109482040 494881318 /nfs/dbraw/zinc/88/13/18/494881318.db2.gz VKMZBNZKAGALAJ-SFHVURJKSA-N 2 1 354.583 3.259 20 0 FGADMP CCC[N@H+](Cc1ccc(CO)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417562 494890769 /nfs/dbraw/zinc/89/07/69/494890769.db2.gz RODKZUXMTMMWQW-UHFFFAOYSA-N 2 1 358.486 3.060 20 0 FGADMP CCC[N@@H+](Cc1ccc(CO)o1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417562 494890772 /nfs/dbraw/zinc/89/07/72/494890772.db2.gz RODKZUXMTMMWQW-UHFFFAOYSA-N 2 1 358.486 3.060 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[NH+](C2CCOCC2)CC1 ZINC000093527886 494897848 /nfs/dbraw/zinc/89/78/48/494897848.db2.gz JBLNSCQQUONCLT-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000093527886 494897853 /nfs/dbraw/zinc/89/78/53/494897853.db2.gz JBLNSCQQUONCLT-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CCC[N@H+](C2CCOCC2)CC1 ZINC000093527886 494897855 /nfs/dbraw/zinc/89/78/55/494897855.db2.gz JBLNSCQQUONCLT-UHFFFAOYSA-N 2 1 373.585 3.331 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639771 494907095 /nfs/dbraw/zinc/90/70/95/494907095.db2.gz CDBTVZXNQSTMGT-MJGOQNOKSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639771 494907098 /nfs/dbraw/zinc/90/70/98/494907098.db2.gz CDBTVZXNQSTMGT-MJGOQNOKSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(C)c(OCC(=O)OC)c(C)c2)[C@H](C)C1 ZINC000093639771 494907102 /nfs/dbraw/zinc/90/71/02/494907102.db2.gz CDBTVZXNQSTMGT-MJGOQNOKSA-N 2 1 362.514 3.017 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093693933 494913234 /nfs/dbraw/zinc/91/32/34/494913234.db2.gz ZGRPVZCBFLXFQX-SFHVURJKSA-N 2 1 362.514 3.019 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc(C)c(OCC(=O)OC)c(C)c2)C1 ZINC000093693933 494913236 /nfs/dbraw/zinc/91/32/36/494913236.db2.gz ZGRPVZCBFLXFQX-SFHVURJKSA-N 2 1 362.514 3.019 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)CC1 ZINC000109786909 494918190 /nfs/dbraw/zinc/91/81/90/494918190.db2.gz AUJSGNUTRWUWLD-HXUWFJFHSA-N 2 1 356.510 3.386 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[NH2+]C2CC[NH+](C)CC2)c1 ZINC000132790874 494924862 /nfs/dbraw/zinc/92/48/62/494924862.db2.gz WJDVOIUAROVIMN-UHFFFAOYSA-N 2 1 356.514 3.498 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn3cc(C)ccc3n2)CC1 ZINC000122168212 494934805 /nfs/dbraw/zinc/93/48/05/494934805.db2.gz HBNVOVTWFVMEFI-UHFFFAOYSA-N 2 1 358.530 3.213 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)o2)cc1 ZINC000132975748 494951599 /nfs/dbraw/zinc/95/15/99/494951599.db2.gz XMOAOUNOQCADFL-HNNXBMFYSA-N 2 1 354.450 3.307 20 0 FGADMP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)o2)cc1 ZINC000132975748 494951603 /nfs/dbraw/zinc/95/16/03/494951603.db2.gz XMOAOUNOQCADFL-HNNXBMFYSA-N 2 1 354.450 3.307 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000118494355 495006480 /nfs/dbraw/zinc/00/64/80/495006480.db2.gz ZJCAGVPBIKLAIP-QGZVFWFLSA-N 2 1 367.493 3.012 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000118494355 495006485 /nfs/dbraw/zinc/00/64/85/495006485.db2.gz ZJCAGVPBIKLAIP-QGZVFWFLSA-N 2 1 367.493 3.012 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H]1C ZINC000122845067 495040007 /nfs/dbraw/zinc/04/00/07/495040007.db2.gz JNRZNKJDOGMDRH-SJORKVTESA-N 2 1 361.555 3.152 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)[NH+]1CCCC1 ZINC000128177557 495056081 /nfs/dbraw/zinc/05/60/81/495056081.db2.gz OIFQGLDCBZDVBZ-IHPCNDPISA-N 2 1 366.594 3.259 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)[nH+]1 ZINC000128181040 495056866 /nfs/dbraw/zinc/05/68/66/495056866.db2.gz DKOOSTOFZUYZBG-AVRDEDQJSA-N 2 1 364.537 3.469 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000128190865 495058564 /nfs/dbraw/zinc/05/85/64/495058564.db2.gz GJFDVVRDYDCWRJ-XJKSGUPXSA-N 2 1 367.946 3.054 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCSc3c(Cl)cccc32)C1 ZINC000128190865 495058567 /nfs/dbraw/zinc/05/85/67/495058567.db2.gz GJFDVVRDYDCWRJ-XJKSGUPXSA-N 2 1 367.946 3.054 20 0 FGADMP Cc1cc2ncn(C[C@H](O)C[NH+]3CCC([NH2+]C4CCCC4)CC3)c2cc1C ZINC000111300649 495060737 /nfs/dbraw/zinc/06/07/37/495060737.db2.gz OLBYAEGQMKXQBV-HXUWFJFHSA-N 2 1 370.541 3.011 20 0 FGADMP CC[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCCC1 ZINC000101544879 495074166 /nfs/dbraw/zinc/07/41/66/495074166.db2.gz ZLOZGDKVPXPEGN-UHFFFAOYSA-N 2 1 361.555 3.438 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1 ZINC000101586803 495082706 /nfs/dbraw/zinc/08/27/06/495082706.db2.gz DHANGZXNMWBJKA-UHFFFAOYSA-N 2 1 351.494 3.312 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950056 495085569 /nfs/dbraw/zinc/08/55/69/495085569.db2.gz OEWTUHHFLMBSCG-HXUWFJFHSA-N 3 1 372.601 3.427 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950056 495085573 /nfs/dbraw/zinc/08/55/73/495085573.db2.gz OEWTUHHFLMBSCG-HXUWFJFHSA-N 2 1 372.601 3.427 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNCc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000133950056 495085578 /nfs/dbraw/zinc/08/55/78/495085578.db2.gz OEWTUHHFLMBSCG-HXUWFJFHSA-N 2 1 372.601 3.427 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000123219895 495098860 /nfs/dbraw/zinc/09/88/60/495098860.db2.gz DERQEOMBDBCKLP-OXQOHEQNSA-N 2 1 367.497 3.121 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)NC1CCCCC1 ZINC000128674265 495133931 /nfs/dbraw/zinc/13/39/31/495133931.db2.gz JTTTXLDKHWEOCE-UHFFFAOYSA-N 2 1 357.542 3.122 20 0 FGADMP c1ccc2c(c1)C=C(C[NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CO2 ZINC000102420122 495135455 /nfs/dbraw/zinc/13/54/55/495135455.db2.gz SYPXRXNPKSVISY-UHFFFAOYSA-N 2 1 350.462 3.084 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000119316894 495140565 /nfs/dbraw/zinc/14/05/65/495140565.db2.gz UCDSDARZPALGCU-ZCNNSNEGSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(c1ccccc1)c1ccccc1 ZINC000580460848 505764159 /nfs/dbraw/zinc/76/41/59/505764159.db2.gz JEMIKOAUJWHNAM-UHFFFAOYSA-N 2 1 351.538 3.388 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000119386169 495156205 /nfs/dbraw/zinc/15/62/05/495156205.db2.gz PKVVDRNBFYQCEN-UYAOXDASSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000119425568 495164879 /nfs/dbraw/zinc/16/48/79/495164879.db2.gz BQCJEXPOERXPOK-ZIAGYGMSSA-N 2 1 369.431 3.496 20 0 FGADMP C[N@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000103092083 495192490 /nfs/dbraw/zinc/19/24/90/495192490.db2.gz ZPHQYXVIJUJWBD-OAQYLSRUSA-N 2 1 357.542 3.233 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)Cc1ccccc1 ZINC000103092083 495192495 /nfs/dbraw/zinc/19/24/95/495192495.db2.gz ZPHQYXVIJUJWBD-OAQYLSRUSA-N 2 1 357.542 3.233 20 0 FGADMP C[C@H](NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000119570085 495193491 /nfs/dbraw/zinc/19/34/91/495193491.db2.gz QOMPEDAKZGBBMK-ICSRJNTNSA-N 2 1 374.573 3.126 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](CC(C)C)C2)cc1)C1CC1 ZINC000119677093 495215948 /nfs/dbraw/zinc/21/59/48/495215948.db2.gz YOSYIFRNQMEKSC-LJQANCHMSA-N 2 1 357.542 3.379 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119677093 495215953 /nfs/dbraw/zinc/21/59/53/495215953.db2.gz YOSYIFRNQMEKSC-LJQANCHMSA-N 2 1 357.542 3.379 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119677093 495215954 /nfs/dbraw/zinc/21/59/54/495215954.db2.gz YOSYIFRNQMEKSC-LJQANCHMSA-N 2 1 357.542 3.379 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000129444364 495245908 /nfs/dbraw/zinc/24/59/08/495245908.db2.gz FWBKHHUYXAOXLU-SFHVURJKSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000124456837 495290755 /nfs/dbraw/zinc/29/07/55/495290755.db2.gz MKMBGACINCMMLV-ZDUSSCGKSA-N 2 1 354.376 3.251 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000124474092 495293004 /nfs/dbraw/zinc/29/30/04/495293004.db2.gz ODKUYKVQZQRYBT-FQEVSTJZSA-N 2 1 357.542 3.296 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000124503095 495298171 /nfs/dbraw/zinc/29/81/71/495298171.db2.gz FSTITVMZVLBGRC-OAQYLSRUSA-N 2 1 359.558 3.380 20 0 FGADMP C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000113456264 495306851 /nfs/dbraw/zinc/30/68/51/495306851.db2.gz PCEVRZBLMIRGLC-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104805481 495307888 /nfs/dbraw/zinc/30/78/88/495307888.db2.gz CROHNTVHADPGLJ-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083254 495335351 /nfs/dbraw/zinc/33/53/51/495335351.db2.gz LVMMHAKGRMHYQY-PZJWPPBQSA-N 2 1 374.573 3.271 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000105093595 495336047 /nfs/dbraw/zinc/33/60/47/495336047.db2.gz JFMCMZNCZFGNJH-NRFANRHFSA-N 2 1 374.573 3.448 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000130102430 495341645 /nfs/dbraw/zinc/34/16/45/495341645.db2.gz KDFXVZREIXKTIA-UHFFFAOYSA-N 2 1 371.456 3.356 20 0 FGADMP CC(C)CC[C@@H]1CCC[C@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241528 495348319 /nfs/dbraw/zinc/34/83/19/495348319.db2.gz WHXORIJTFUSTPI-AZUAARDMSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc2S1 ZINC000574452631 505776140 /nfs/dbraw/zinc/77/61/40/505776140.db2.gz GTFDRTFNGCUREY-FGTMMUONSA-N 2 1 373.566 3.225 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000114454225 495375927 /nfs/dbraw/zinc/37/59/27/495375927.db2.gz AXVSOBOVYDRDRU-MRXNPFEDSA-N 2 1 357.498 3.415 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cc3ccccc3o2)CC1 ZINC000114454225 495375929 /nfs/dbraw/zinc/37/59/29/495375929.db2.gz AXVSOBOVYDRDRU-MRXNPFEDSA-N 2 1 357.498 3.415 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCc2ccccc2C1 ZINC000114455635 495376570 /nfs/dbraw/zinc/37/65/70/495376570.db2.gz MFSBCUNLMFSYQI-JOCHJYFZSA-N 2 1 371.569 3.245 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000114455405 495376733 /nfs/dbraw/zinc/37/67/33/495376733.db2.gz KOXJBKWSFJRPNG-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(Cl)c2)CC1 ZINC000114455405 495376735 /nfs/dbraw/zinc/37/67/35/495376735.db2.gz KOXJBKWSFJRPNG-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000114455397 495376891 /nfs/dbraw/zinc/37/68/91/495376891.db2.gz TVWKQZXLAXGYHM-UHFFFAOYSA-N 2 1 363.933 3.293 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)CC1 ZINC000114455397 495376894 /nfs/dbraw/zinc/37/68/94/495376894.db2.gz TVWKQZXLAXGYHM-UHFFFAOYSA-N 2 1 363.933 3.293 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000136574539 495388036 /nfs/dbraw/zinc/38/80/36/495388036.db2.gz HAQJISBJNMJODU-SFTDATJTSA-N 2 1 372.557 3.154 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000571653306 505783483 /nfs/dbraw/zinc/78/34/83/505783483.db2.gz DYRCLRRNJDTMLA-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000137465193 495441815 /nfs/dbraw/zinc/44/18/15/495441815.db2.gz RIJVMZWNTDOBGM-UWJYYQICSA-N 2 1 351.494 3.141 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807980 495448728 /nfs/dbraw/zinc/44/87/28/495448728.db2.gz UUFAIBCCHJKLLU-JRGCBEDISA-N 2 1 357.542 3.244 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1)c1ccccc1 ZINC000130807980 495448734 /nfs/dbraw/zinc/44/87/34/495448734.db2.gz UUFAIBCCHJKLLU-JRGCBEDISA-N 2 1 357.542 3.244 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000120767817 495453639 /nfs/dbraw/zinc/45/36/39/495453639.db2.gz KUNYNFKNUMOIJX-INIZCTEOSA-N 2 1 367.559 3.363 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000125533912 495459335 /nfs/dbraw/zinc/45/93/35/495459335.db2.gz FQMKMVPWYDTCIM-ZDUSSCGKSA-N 2 1 351.288 3.108 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000125533912 495459339 /nfs/dbraw/zinc/45/93/39/495459339.db2.gz FQMKMVPWYDTCIM-ZDUSSCGKSA-N 2 1 351.288 3.108 20 0 FGADMP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000106516762 495459593 /nfs/dbraw/zinc/45/95/93/495459593.db2.gz UGECHXCFYLMHTL-HKUYNNGSSA-N 2 1 374.529 3.123 20 0 FGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000115616656 495521432 /nfs/dbraw/zinc/52/14/32/495521432.db2.gz QNRBVIKPZNHKAL-MRXNPFEDSA-N 2 1 373.472 3.071 20 0 FGADMP Cc1cc(F)ccc1-c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000115616656 495521433 /nfs/dbraw/zinc/52/14/33/495521433.db2.gz QNRBVIKPZNHKAL-MRXNPFEDSA-N 2 1 373.472 3.071 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158572942 495541814 /nfs/dbraw/zinc/54/18/14/495541814.db2.gz KLSPSKTUWYULIT-PBHICJAKSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158572942 495541817 /nfs/dbraw/zinc/54/18/17/495541817.db2.gz KLSPSKTUWYULIT-PBHICJAKSA-N 2 1 365.905 3.093 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158572942 495541818 /nfs/dbraw/zinc/54/18/18/495541818.db2.gz KLSPSKTUWYULIT-PBHICJAKSA-N 2 1 365.905 3.093 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182431690 495561366 /nfs/dbraw/zinc/56/13/66/495561366.db2.gz LBYPBSASACJWBA-FQEVSTJZSA-N 2 1 358.530 3.030 20 0 FGADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)cs1 ZINC000170684821 495564499 /nfs/dbraw/zinc/56/44/99/495564499.db2.gz HOMQXDXPBRRZOT-UHFFFAOYSA-N 2 1 372.538 3.364 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(Br)s1 ZINC000154360390 495592252 /nfs/dbraw/zinc/59/22/52/495592252.db2.gz TYGVRCAPUSJVQE-CYBMUJFWSA-N 2 1 360.365 3.189 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(F)cc1Br ZINC000154366753 495594956 /nfs/dbraw/zinc/59/49/56/495594956.db2.gz SRRKTAGWYVNKJM-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2n1 ZINC000182589630 495626885 /nfs/dbraw/zinc/62/68/85/495626885.db2.gz KOOMWLQRRCYLNQ-WCRBZPEASA-N 2 1 364.537 3.286 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000154483014 495630294 /nfs/dbraw/zinc/63/02/94/495630294.db2.gz YVIUCBNSCBTWBD-MRXNPFEDSA-N 2 1 355.473 3.356 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680084 495677118 /nfs/dbraw/zinc/67/71/18/495677118.db2.gz MJENWZQSPKOPDI-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680084 495677124 /nfs/dbraw/zinc/67/71/24/495677124.db2.gz MJENWZQSPKOPDI-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695543 495684192 /nfs/dbraw/zinc/68/41/92/495684192.db2.gz NXLKRYISZOGNIS-QZTJIDSGSA-N 2 1 373.541 3.322 20 0 FGADMP Cc1ccc(CN(C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C2CC2)o1 ZINC000185695543 495684199 /nfs/dbraw/zinc/68/41/99/495684199.db2.gz NXLKRYISZOGNIS-QZTJIDSGSA-N 2 1 373.541 3.322 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185698100 495685403 /nfs/dbraw/zinc/68/54/03/495685403.db2.gz WJNUROYGDJCDKT-IKGGRYGDSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185698100 495685408 /nfs/dbraw/zinc/68/54/08/495685408.db2.gz WJNUROYGDJCDKT-IKGGRYGDSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccc([C@@H](NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)C(C)C)cc1 ZINC000159222873 495687306 /nfs/dbraw/zinc/68/73/06/495687306.db2.gz WIWRMSHFUYDGKO-NRFANRHFSA-N 2 1 372.513 3.036 20 0 FGADMP COc1ccc([C@@H](NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)C(C)C)cc1 ZINC000159222873 495687314 /nfs/dbraw/zinc/68/73/14/495687314.db2.gz WIWRMSHFUYDGKO-NRFANRHFSA-N 2 1 372.513 3.036 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185721389 495697550 /nfs/dbraw/zinc/69/75/50/495697550.db2.gz STSCYJLYUJIPJM-WBVHZDCISA-N 2 1 363.933 3.199 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1cccc(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185721389 495697552 /nfs/dbraw/zinc/69/75/52/495697552.db2.gz STSCYJLYUJIPJM-WBVHZDCISA-N 2 1 363.933 3.199 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000159275487 495700167 /nfs/dbraw/zinc/70/01/67/495700167.db2.gz AYJSEKQGHAEWIU-LJQANCHMSA-N 2 1 357.542 3.137 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)N(C)Cc2ccccc2Cl)CC1 ZINC000159305176 495705748 /nfs/dbraw/zinc/70/57/48/495705748.db2.gz QEJIMDXGZCTPNW-OAHLLOKOSA-N 2 1 351.922 3.151 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185753123 495711751 /nfs/dbraw/zinc/71/17/51/495711751.db2.gz VSOHFFBQGVUGLJ-DLBZAZTESA-N 2 1 373.545 3.179 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccnn1C1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185753123 495711752 /nfs/dbraw/zinc/71/17/52/495711752.db2.gz VSOHFFBQGVUGLJ-DLBZAZTESA-N 2 1 373.545 3.179 20 0 FGADMP CN(c1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000151016128 495712402 /nfs/dbraw/zinc/71/24/02/495712402.db2.gz DFFCFVJKLQKJLX-XDNSSPFJSA-N 2 1 370.585 3.322 20 0 FGADMP CN(c1ccccc1CNC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC[NH+](C)CC1 ZINC000151016128 495712406 /nfs/dbraw/zinc/71/24/06/495712406.db2.gz DFFCFVJKLQKJLX-XDNSSPFJSA-N 2 1 370.585 3.322 20 0 FGADMP CN(c1ccccc1CNC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC[NH+](C)CC1 ZINC000151016128 495712411 /nfs/dbraw/zinc/71/24/11/495712411.db2.gz DFFCFVJKLQKJLX-XDNSSPFJSA-N 2 1 370.585 3.322 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N[C@H]1CCCc2ccccc21 ZINC000173878338 495728720 /nfs/dbraw/zinc/72/87/20/495728720.db2.gz KOFRCUQFJCHOKQ-KNQAVFIVSA-N 2 1 369.553 3.378 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000151171466 495761106 /nfs/dbraw/zinc/76/11/06/495761106.db2.gz LIUZOIQPATYTBB-QGZVFWFLSA-N 2 1 361.574 3.268 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000151171466 495761113 /nfs/dbraw/zinc/76/11/13/495761113.db2.gz LIUZOIQPATYTBB-QGZVFWFLSA-N 2 1 361.574 3.268 20 0 FGADMP Cc1ccc(C)c(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173959441 495765362 /nfs/dbraw/zinc/76/53/62/495765362.db2.gz QNVALASQSZRWNB-IBGZPJMESA-N 2 1 373.541 3.207 20 0 FGADMP CC[C@@H]1Oc2cc([C@H](C)[NH2+]CCCCn3cc[nH+]c3C)ccc2NC1=O ZINC000180005992 495819290 /nfs/dbraw/zinc/81/92/90/495819290.db2.gz RQDNDGVBMDBKOH-KSSFIOAISA-N 2 1 356.470 3.432 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000171343516 495829261 /nfs/dbraw/zinc/82/92/61/495829261.db2.gz WKTJUZNTMZIXRI-UHFFFAOYSA-N 2 1 366.571 3.294 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCCS(=O)(=O)c2ccccc2)CC1 ZINC000171343516 495829264 /nfs/dbraw/zinc/82/92/64/495829264.db2.gz WKTJUZNTMZIXRI-UHFFFAOYSA-N 2 1 366.571 3.294 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000183126567 495845388 /nfs/dbraw/zinc/84/53/88/495845388.db2.gz HYDIJNPXJDXMFD-GPJHCHHRSA-N 2 1 372.553 3.462 20 0 FGADMP COC(=O)c1coc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000171384392 495848932 /nfs/dbraw/zinc/84/89/32/495848932.db2.gz CIGBAVFMHIXIBM-UHFFFAOYSA-N 2 1 356.466 3.410 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000186102602 495856493 /nfs/dbraw/zinc/85/64/93/495856493.db2.gz LUNSWFVTOVTIAX-MSOLQXFVSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@@H+]1C ZINC000177126957 495937904 /nfs/dbraw/zinc/93/79/04/495937904.db2.gz OHVASHQIHVIWIZ-XJKSGUPXSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[N@H+]1C ZINC000177126957 495937910 /nfs/dbraw/zinc/93/79/10/495937910.db2.gz OHVASHQIHVIWIZ-XJKSGUPXSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126957 495937918 /nfs/dbraw/zinc/93/79/18/495937918.db2.gz OHVASHQIHVIWIZ-XJKSGUPXSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(C(F)(F)F)c2)CC[NH+]1C ZINC000177126957 495937922 /nfs/dbraw/zinc/93/79/22/495937922.db2.gz OHVASHQIHVIWIZ-XJKSGUPXSA-N 2 1 357.420 3.449 20 0 FGADMP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000174413739 495948786 /nfs/dbraw/zinc/94/87/86/495948786.db2.gz PNKWYRULVBEKNI-GOSISDBHSA-N 2 1 353.510 3.389 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+](CC(=O)N[C@@H](C)c3ccccc3)C2)[nH+]1 ZINC000171653170 495971798 /nfs/dbraw/zinc/97/17/98/495971798.db2.gz OHJZHQIVDGJHQZ-ZWKOTPCHSA-N 2 1 352.482 3.001 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000171667985 495981577 /nfs/dbraw/zinc/98/15/77/495981577.db2.gz GROBEIDDDIZIGD-IBGZPJMESA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCCCC1 ZINC000177231940 495987419 /nfs/dbraw/zinc/98/74/19/495987419.db2.gz GOPCOKRUMMXXBM-SFHVURJKSA-N 2 1 373.541 3.406 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155556746 495993981 /nfs/dbraw/zinc/99/39/81/495993981.db2.gz HEQZJNUBRJBXDO-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000151926355 495995075 /nfs/dbraw/zinc/99/50/75/495995075.db2.gz HEJCHMNDMOQULI-KRWDZBQOSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCC1CC[NH2+]CC1 ZINC000155892706 496098806 /nfs/dbraw/zinc/09/88/06/496098806.db2.gz XSMJBZDNJWDZJS-GOSISDBHSA-N 2 1 357.542 3.457 20 0 FGADMP C[C@H](NCC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840961 505824835 /nfs/dbraw/zinc/82/48/35/505824835.db2.gz BKJLLCMYNFNYRO-PIYZVIGCSA-N 2 1 373.585 3.314 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000571840961 505824838 /nfs/dbraw/zinc/82/48/38/505824838.db2.gz BKJLLCMYNFNYRO-PIYZVIGCSA-N 2 1 373.585 3.314 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC12CC3CC(CC(C3)C1)C2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000571840961 505824840 /nfs/dbraw/zinc/82/48/40/505824840.db2.gz BKJLLCMYNFNYRO-PIYZVIGCSA-N 2 1 373.585 3.314 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000183968701 496181574 /nfs/dbraw/zinc/18/15/74/496181574.db2.gz ZCPAQEHGHQWEQJ-UHFFFAOYSA-N 2 1 368.481 3.265 20 0 FGADMP Fc1ccc(-c2ccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)o2)cc1 ZINC000177775069 496190860 /nfs/dbraw/zinc/19/08/60/496190860.db2.gz YEJIVQDCAXEUIW-UHFFFAOYSA-N 2 1 357.473 3.299 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000177851241 496223461 /nfs/dbraw/zinc/22/34/61/496223461.db2.gz KECHYYFNYGUTMM-WMZOPIPTSA-N 2 1 366.575 3.114 20 0 FGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000156520756 496267704 /nfs/dbraw/zinc/26/77/04/496267704.db2.gz LWIPKGAHOVEFKY-SFHVURJKSA-N 2 1 373.541 3.406 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175232158 496301506 /nfs/dbraw/zinc/30/15/06/496301506.db2.gz BPHVPFLICCBSBY-LJQANCHMSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000181299184 496345019 /nfs/dbraw/zinc/34/50/19/496345019.db2.gz VEVXRQBDXWEEOP-GOSISDBHSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCc1ccco1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914735 496362757 /nfs/dbraw/zinc/36/27/57/496362757.db2.gz YBFZWQPYUDGUIM-XLIONFOSSA-N 2 1 369.509 3.088 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000156925516 496365137 /nfs/dbraw/zinc/36/51/37/496365137.db2.gz FJGAJVUIVXGDCA-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000156925516 496365142 /nfs/dbraw/zinc/36/51/42/496365142.db2.gz FJGAJVUIVXGDCA-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925516 496365147 /nfs/dbraw/zinc/36/51/47/496365147.db2.gz FJGAJVUIVXGDCA-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925516 496365153 /nfs/dbraw/zinc/36/51/53/496365153.db2.gz FJGAJVUIVXGDCA-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@]1(CO)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844608 /nfs/dbraw/zinc/84/46/08/505844608.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP C[C@]1(CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844615 /nfs/dbraw/zinc/84/46/15/505844615.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP C[C@]1(CO)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000578025972 505844618 /nfs/dbraw/zinc/84/46/18/505844618.db2.gz LKDTTZQBBMVUPU-BGYRXZFFSA-N 2 1 366.933 3.034 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000187455252 496448885 /nfs/dbraw/zinc/44/88/85/496448885.db2.gz NYNFNWLSNRHYEG-QFIPXVFZSA-N 2 1 365.521 3.389 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H]1c1cccs1 ZINC000569085754 505848728 /nfs/dbraw/zinc/84/87/28/505848728.db2.gz UJWREMVDHCDCEB-ZIFCJYIRSA-N 2 1 372.538 3.130 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)[nH+]c1 ZINC000163507817 496526080 /nfs/dbraw/zinc/52/60/80/496526080.db2.gz XNBUSWORJTUAIF-PUAOIOHZSA-N 2 1 357.523 3.447 20 0 FGADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000580841511 505850759 /nfs/dbraw/zinc/85/07/59/505850759.db2.gz RQJFPYIEQUROEB-MDYRTPRTSA-N 2 1 357.523 3.155 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+](C4CCCC4)C3)CC2)cc1 ZINC000153732158 496561713 /nfs/dbraw/zinc/56/17/13/496561713.db2.gz YSJBQEGRCYMFHR-NRFANRHFSA-N 2 1 359.533 3.439 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000178826700 496585302 /nfs/dbraw/zinc/58/53/02/496585302.db2.gz NNDAZVXGIZLTGV-IBGZPJMESA-N 2 1 365.521 3.275 20 0 FGADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)C1(C)CC[NH+](Cc3ccccc3)CC1)C2 ZINC000164163934 496591204 /nfs/dbraw/zinc/59/12/04/496591204.db2.gz LFXMECNRCSTXED-SEJPIABJSA-N 2 1 369.553 3.420 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181929381 496602608 /nfs/dbraw/zinc/60/26/08/496602608.db2.gz JGIUAJALIGZXNM-CVEARBPZSA-N 2 1 374.447 3.109 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181929381 496602609 /nfs/dbraw/zinc/60/26/09/496602609.db2.gz JGIUAJALIGZXNM-CVEARBPZSA-N 2 1 374.447 3.109 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000185004095 496619606 /nfs/dbraw/zinc/61/96/06/496619606.db2.gz OTEDPYHWHPRJLX-KRWDZBQOSA-N 2 1 351.853 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740334 496629964 /nfs/dbraw/zinc/62/99/64/496629964.db2.gz CNXIEQANYBSWOZ-SZXPJGKVSA-N 2 1 366.347 3.346 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000164948173 496640797 /nfs/dbraw/zinc/64/07/97/496640797.db2.gz VKFGXQNYVZWOBT-FCHUYYIVSA-N 2 1 365.521 3.420 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165534944 496660895 /nfs/dbraw/zinc/66/08/95/496660895.db2.gz LSLFFVPCGZVDTD-LQWHRVPQSA-N 2 1 369.509 3.358 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCCOc2ccccc2)nc1 ZINC000165534944 496660902 /nfs/dbraw/zinc/66/09/02/496660902.db2.gz LSLFFVPCGZVDTD-LQWHRVPQSA-N 2 1 369.509 3.358 20 0 FGADMP C[C@H](CC(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000167679681 496705378 /nfs/dbraw/zinc/70/53/78/496705378.db2.gz BBGHVHVHOXXAMD-ZIFCJYIRSA-N 2 1 359.514 3.044 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CCC[NH+](C)C)C1 ZINC000185320379 496728558 /nfs/dbraw/zinc/72/85/58/496728558.db2.gz BUDXATVPKLEQFM-SFHVURJKSA-N 2 1 360.546 3.012 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cccc(O)c2)CC1 ZINC000194853969 496736897 /nfs/dbraw/zinc/73/68/97/496736897.db2.gz YFAPQWVKVMZNNB-SFHVURJKSA-N 2 1 353.510 3.381 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000246967410 496738352 /nfs/dbraw/zinc/73/83/52/496738352.db2.gz IYWOJRSXHVGZOV-NVXWUHKLSA-N 2 1 351.922 3.008 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000247028925 496756835 /nfs/dbraw/zinc/75/68/35/496756835.db2.gz QWPONJCDNGIKOA-RBUKOAKNSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268750995 496773121 /nfs/dbraw/zinc/77/31/21/496773121.db2.gz HRNLSBPDPVAETF-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268750995 496773128 /nfs/dbraw/zinc/77/31/28/496773128.db2.gz HRNLSBPDPVAETF-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769709 496780227 /nfs/dbraw/zinc/78/02/27/496780227.db2.gz DNKZCIRMQAZSBA-HFSMHLIXSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268769709 496780230 /nfs/dbraw/zinc/78/02/30/496780230.db2.gz DNKZCIRMQAZSBA-HFSMHLIXSA-N 2 1 354.494 3.371 20 0 FGADMP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268791064 496786771 /nfs/dbraw/zinc/78/67/71/496786771.db2.gz DEIIYTXGFJZCRN-INIZCTEOSA-N 2 1 357.523 3.295 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000247156456 496794194 /nfs/dbraw/zinc/79/41/94/496794194.db2.gz TXMDTLCCUAVWRP-QIJUGHKUSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000247156456 496794196 /nfs/dbraw/zinc/79/41/96/496794196.db2.gz TXMDTLCCUAVWRP-QIJUGHKUSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000191551287 496808080 /nfs/dbraw/zinc/80/80/80/496808080.db2.gz AYQXFQQZJHEXST-UHFFFAOYSA-N 2 1 373.463 3.433 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247231016 496810842 /nfs/dbraw/zinc/81/08/42/496810842.db2.gz YHPDMRRWOTWZOX-IXDOHACOSA-N 2 1 352.544 3.109 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247231016 496810850 /nfs/dbraw/zinc/81/08/50/496810850.db2.gz YHPDMRRWOTWZOX-IXDOHACOSA-N 2 1 352.544 3.109 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000247247042 496815426 /nfs/dbraw/zinc/81/54/26/496815426.db2.gz PXSGGUYLASFOMK-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000247247042 496815431 /nfs/dbraw/zinc/81/54/31/496815431.db2.gz PXSGGUYLASFOMK-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000247247042 496815434 /nfs/dbraw/zinc/81/54/34/496815434.db2.gz PXSGGUYLASFOMK-NHCUHLMSSA-N 2 1 357.542 3.278 20 0 FGADMP COc1ccc(NC(=O)CC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1Cl ZINC000268898522 496818649 /nfs/dbraw/zinc/81/86/49/496818649.db2.gz LELZZNWPDCXZHM-UHFFFAOYSA-N 2 1 367.921 3.482 20 0 FGADMP Cc1cccc(C[C@@H](CO)[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000191606643 496829393 /nfs/dbraw/zinc/82/93/93/496829393.db2.gz SRMYCZATWRAJKA-QHCPKHFHSA-N 2 1 370.512 3.334 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320826 496834209 /nfs/dbraw/zinc/83/42/09/496834209.db2.gz HZVIITUKNYLBMS-RXVVDRJESA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320826 496834213 /nfs/dbraw/zinc/83/42/13/496834213.db2.gz HZVIITUKNYLBMS-RXVVDRJESA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC1 ZINC000247320826 496834217 /nfs/dbraw/zinc/83/42/17/496834217.db2.gz HZVIITUKNYLBMS-RXVVDRJESA-N 2 1 372.557 3.165 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358859 496844244 /nfs/dbraw/zinc/84/42/44/496844244.db2.gz QEELZBBKESWTFJ-DWLFOUALSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358859 496844250 /nfs/dbraw/zinc/84/42/50/496844250.db2.gz QEELZBBKESWTFJ-DWLFOUALSA-N 2 1 360.542 3.105 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247358859 496844255 /nfs/dbraw/zinc/84/42/55/496844255.db2.gz QEELZBBKESWTFJ-DWLFOUALSA-N 2 1 360.542 3.105 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000247734510 496910474 /nfs/dbraw/zinc/91/04/74/496910474.db2.gz VKPWCVKGZJPUFG-VTHDOGFWSA-N 2 1 355.526 3.173 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000247734510 496910479 /nfs/dbraw/zinc/91/04/79/496910479.db2.gz VKPWCVKGZJPUFG-VTHDOGFWSA-N 2 1 355.526 3.173 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000247734510 496910484 /nfs/dbraw/zinc/91/04/84/496910484.db2.gz VKPWCVKGZJPUFG-VTHDOGFWSA-N 2 1 355.526 3.173 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)c2)C1 ZINC000247981238 496938151 /nfs/dbraw/zinc/93/81/51/496938151.db2.gz IIVOKDYYIHRJHV-BDTNDASRSA-N 2 1 369.553 3.442 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981485 496938603 /nfs/dbraw/zinc/93/86/03/496938603.db2.gz MUNZTAFGWCGYOS-WMLDXEAASA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981485 496938607 /nfs/dbraw/zinc/93/86/07/496938607.db2.gz MUNZTAFGWCGYOS-WMLDXEAASA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@H]21 ZINC000247981485 496938609 /nfs/dbraw/zinc/93/86/09/496938609.db2.gz MUNZTAFGWCGYOS-WMLDXEAASA-N 2 1 369.431 3.450 20 0 FGADMP C[C@H](NC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1cccc2ccccc21 ZINC000248184746 496970607 /nfs/dbraw/zinc/97/06/07/496970607.db2.gz XBZHGVZPIDWYLT-KPLVRAHFSA-N 2 1 365.521 3.433 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(OCc3ccccn3)c2)CCCO1 ZINC000278080257 496997445 /nfs/dbraw/zinc/99/74/45/496997445.db2.gz ZZTWIGZPQNFTPU-IBGZPJMESA-N 2 1 369.509 3.251 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H](O)Cc1ccccc1 ZINC000248418792 497005323 /nfs/dbraw/zinc/00/53/23/497005323.db2.gz TZHZAYOXYRPJRU-UZZNCIHVSA-N 2 1 364.533 3.479 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](C)C(C)C ZINC000572058580 505879198 /nfs/dbraw/zinc/87/91/98/505879198.db2.gz PYFNXCQFCJUCEJ-TZIWHRDSSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000572058580 505879199 /nfs/dbraw/zinc/87/91/99/505879199.db2.gz PYFNXCQFCJUCEJ-TZIWHRDSSA-N 2 1 374.573 3.269 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000572058580 505879204 /nfs/dbraw/zinc/87/92/04/505879204.db2.gz PYFNXCQFCJUCEJ-TZIWHRDSSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)CC1 ZINC000269888012 497018297 /nfs/dbraw/zinc/01/82/97/497018297.db2.gz VDPRMMMYLQVJGA-QFIPXVFZSA-N 2 1 359.558 3.024 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000574904535 505880510 /nfs/dbraw/zinc/88/05/10/505880510.db2.gz ALJBTNQSSDIFCG-NRFANRHFSA-N 2 1 367.497 3.272 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000248553672 497036556 /nfs/dbraw/zinc/03/65/56/497036556.db2.gz HMQGZNANVSNICT-IRFCIJBXSA-N 2 1 360.542 3.286 20 0 FGADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc(C[NH3+])cc1 ZINC000236604588 497120548 /nfs/dbraw/zinc/12/05/48/497120548.db2.gz YJAOAENXKVQARD-OAQYLSRUSA-N 2 1 365.521 3.348 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236769763 497144266 /nfs/dbraw/zinc/14/42/66/497144266.db2.gz YXAPRCWHCCRJBU-KRWDZBQOSA-N 2 1 371.447 3.257 20 0 FGADMP CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000236769763 497144272 /nfs/dbraw/zinc/14/42/72/497144272.db2.gz YXAPRCWHCCRJBU-KRWDZBQOSA-N 2 1 371.447 3.257 20 0 FGADMP COc1cccc([C@H]2[C@H](NC(=O)Nc3ccnc(C)c3)CC[N@H+]2C2CC2)c1 ZINC000249065473 497157880 /nfs/dbraw/zinc/15/78/80/497157880.db2.gz QDUFQSQUJVXTGP-UXHICEINSA-N 2 1 366.465 3.498 20 0 FGADMP CCN1CCC([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000236920291 497168292 /nfs/dbraw/zinc/16/82/92/497168292.db2.gz UBEFDIFDTDSYES-UHFFFAOYSA-N 2 1 355.482 3.243 20 0 FGADMP CC[NH+]1CCC([NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)CC1 ZINC000236920291 497168296 /nfs/dbraw/zinc/16/82/96/497168296.db2.gz UBEFDIFDTDSYES-UHFFFAOYSA-N 2 1 355.482 3.243 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236936746 497169514 /nfs/dbraw/zinc/16/95/14/497169514.db2.gz IVQHWTCKPZQKNZ-ZTNFWEORSA-N 2 1 371.550 3.337 20 0 FGADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236936746 497169516 /nfs/dbraw/zinc/16/95/16/497169516.db2.gz IVQHWTCKPZQKNZ-ZTNFWEORSA-N 2 1 371.550 3.337 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2Br)C1 ZINC000274810822 497171726 /nfs/dbraw/zinc/17/17/26/497171726.db2.gz XUUSSMNOEGYYHC-OAHLLOKOSA-N 2 1 362.271 3.023 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2Br)C1 ZINC000274810822 497171731 /nfs/dbraw/zinc/17/17/31/497171731.db2.gz XUUSSMNOEGYYHC-OAHLLOKOSA-N 2 1 362.271 3.023 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Br)cc1F ZINC000249177550 497179343 /nfs/dbraw/zinc/17/93/43/497179343.db2.gz GBJLAPZGWMNJIG-HIFRSBDPSA-N 2 1 373.310 3.476 20 0 FGADMP CC[C@]1(CO)CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@@]2(CC)CO)c1 ZINC000189619030 497183628 /nfs/dbraw/zinc/18/36/28/497183628.db2.gz VFTGRCGODLQNHV-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP CC[C@]1(CO)CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@@]2(CC)CO)c1 ZINC000189619030 497183632 /nfs/dbraw/zinc/18/36/32/497183632.db2.gz VFTGRCGODLQNHV-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP CC[C@]1(CO)CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@@]2(CC)CO)c1 ZINC000189619030 497183634 /nfs/dbraw/zinc/18/36/34/497183634.db2.gz VFTGRCGODLQNHV-SZPZYZBQSA-N 2 1 360.542 3.160 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(I)cc2)C1 ZINC000249379267 497196673 /nfs/dbraw/zinc/19/66/73/497196673.db2.gz OKLKXVMMDSEPOW-OLZOCXBDSA-N 2 1 358.267 3.284 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000274916240 497198421 /nfs/dbraw/zinc/19/84/21/497198421.db2.gz VZIIUPSHJQYOKG-QGZVFWFLSA-N 2 1 355.486 3.128 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](C)C2)c1 ZINC000274916240 497198426 /nfs/dbraw/zinc/19/84/26/497198426.db2.gz VZIIUPSHJQYOKG-QGZVFWFLSA-N 2 1 355.486 3.128 20 0 FGADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000192738100 497200268 /nfs/dbraw/zinc/20/02/68/497200268.db2.gz JHSXPGKPOXTZIR-FQEVSTJZSA-N 2 1 361.574 3.364 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)C1([NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000237255702 497211234 /nfs/dbraw/zinc/21/12/34/497211234.db2.gz XHDKSEKJZMAOEG-SFHVURJKSA-N 2 1 359.514 3.000 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccccc2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574963124 505892052 /nfs/dbraw/zinc/89/20/52/505892052.db2.gz ZXPMNIPBCRAIMU-SESVDKBCSA-N 2 1 363.505 3.292 20 0 FGADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920319 497246506 /nfs/dbraw/zinc/24/65/06/497246506.db2.gz VSEIADQUKBPXQW-GOSISDBHSA-N 2 1 370.493 3.324 20 0 FGADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920319 497246511 /nfs/dbraw/zinc/24/65/11/497246511.db2.gz VSEIADQUKBPXQW-GOSISDBHSA-N 2 1 370.493 3.324 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000192929259 497249312 /nfs/dbraw/zinc/24/93/12/497249312.db2.gz IVKGKDJOHYTPGC-SFHVURJKSA-N 2 1 370.493 3.324 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(OC)c1OC ZINC000192929259 497249316 /nfs/dbraw/zinc/24/93/16/497249316.db2.gz IVKGKDJOHYTPGC-SFHVURJKSA-N 2 1 370.493 3.324 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237518364 497249907 /nfs/dbraw/zinc/24/99/07/497249907.db2.gz LUHCOIYBMZMBER-CTAFRAEOSA-N 2 1 357.542 3.436 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000237565856 497255946 /nfs/dbraw/zinc/25/59/46/497255946.db2.gz PLVYQKPQLVQXDU-UTKZUKDTSA-N 2 1 351.494 3.270 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000250431945 497266646 /nfs/dbraw/zinc/26/66/46/497266646.db2.gz JLXUFHILYOPMET-PZJWPPBQSA-N 2 1 372.557 3.163 20 0 FGADMP CC(C)(O)C[NH+](Cc1cccc(C[N@H+](CC(C)(C)O)C2CC2)c1)C1CC1 ZINC000189907863 497288642 /nfs/dbraw/zinc/28/86/42/497288642.db2.gz SDAVQVWHEWHEHQ-UHFFFAOYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](CCNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000189937947 497298829 /nfs/dbraw/zinc/29/88/29/497298829.db2.gz JWNSOXZSGKWMKQ-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H](CCNC(=O)N(C)CC1([NH+](C)C)CCC1)[N@@H+](C)Cc1ccccc1 ZINC000189937927 497298987 /nfs/dbraw/zinc/29/89/87/497298987.db2.gz JWNSOXZSGKWMKQ-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000279011252 497302743 /nfs/dbraw/zinc/30/27/43/497302743.db2.gz SXIMAJHVAPSHPR-GJZGRUSLSA-N 2 1 353.470 3.080 20 0 FGADMP FC(F)(F)CN1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237855877 497302968 /nfs/dbraw/zinc/30/29/68/497302968.db2.gz MTNURWHEVPNFHB-UHFFFAOYSA-N 2 1 355.448 3.267 20 0 FGADMP [NH3+][C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237881059 497306870 /nfs/dbraw/zinc/30/68/70/497306870.db2.gz OMQNIPLXERYIBK-PBHICJAKSA-N 2 1 370.324 3.201 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc4c(cc3OC(F)F)OCO4)C2)CC1 ZINC000569291068 505898289 /nfs/dbraw/zinc/89/82/89/505898289.db2.gz RMBTYGOFEPFKHQ-AWEZNQCLSA-N 2 1 368.424 3.180 20 0 FGADMP Cn1c[nH+]cc1CCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000193181551 497318961 /nfs/dbraw/zinc/31/89/61/497318961.db2.gz WFPSITLBORNZOX-UHFFFAOYSA-N 2 1 351.454 3.241 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)c3cnccc3C)cc2)CC1 ZINC000271406488 497340532 /nfs/dbraw/zinc/34/05/32/497340532.db2.gz MKYSRCWXMZLWLU-LJQANCHMSA-N 2 1 352.526 3.378 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000279124677 497341847 /nfs/dbraw/zinc/34/18/47/497341847.db2.gz QLGDNHWXIRTHCC-JXFKEZNVSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000279124677 497341852 /nfs/dbraw/zinc/34/18/52/497341852.db2.gz QLGDNHWXIRTHCC-JXFKEZNVSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000279124677 497341856 /nfs/dbraw/zinc/34/18/56/497341856.db2.gz QLGDNHWXIRTHCC-JXFKEZNVSA-N 2 1 352.482 3.183 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000193314041 497347100 /nfs/dbraw/zinc/34/71/00/497347100.db2.gz PEEYPURRMVDPIC-LBPRGKRZSA-N 2 1 358.313 3.201 20 0 FGADMP C[N@@H+]1C[C@H]2CN(C(=O)c3ccc(Oc4ccncc4)c(Cl)c3)C[C@H]2C1 ZINC000279162421 497353021 /nfs/dbraw/zinc/35/30/21/497353021.db2.gz GELOBOZXJKZXRI-GASCZTMLSA-N 2 1 357.841 3.161 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)c2cnccc2C)CC1 ZINC000271454185 497353767 /nfs/dbraw/zinc/35/37/67/497353767.db2.gz OPYHQSUVJOVCDF-LJQANCHMSA-N 2 1 352.526 3.378 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444412 497409675 /nfs/dbraw/zinc/40/96/75/497409675.db2.gz XZWUHUPAXCQJNU-NVXWUHKLSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444412 497409682 /nfs/dbraw/zinc/40/96/82/497409682.db2.gz XZWUHUPAXCQJNU-NVXWUHKLSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444412 497409690 /nfs/dbraw/zinc/40/96/90/497409690.db2.gz XZWUHUPAXCQJNU-NVXWUHKLSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc(C(F)(F)F)c2)C1 ZINC000245444412 497409697 /nfs/dbraw/zinc/40/96/97/497409697.db2.gz XZWUHUPAXCQJNU-NVXWUHKLSA-N 2 1 374.447 3.109 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000190237996 497409933 /nfs/dbraw/zinc/40/99/33/497409933.db2.gz PPMKYOQMAFYSJD-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@@H+]1Cc1ccccc1 ZINC000275728545 497415273 /nfs/dbraw/zinc/41/52/73/497415273.db2.gz ZOTCEWDBMAQDMQ-NRDMVMEKSA-N 2 1 368.525 3.283 20 0 FGADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC[N@H+]1Cc1ccccc1 ZINC000275728545 497415279 /nfs/dbraw/zinc/41/52/79/497415279.db2.gz ZOTCEWDBMAQDMQ-NRDMVMEKSA-N 2 1 368.525 3.283 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261653909 497427267 /nfs/dbraw/zinc/42/72/67/497427267.db2.gz JWQCNHVQIRVGIH-YOEHRIQHSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261653909 497427270 /nfs/dbraw/zinc/42/72/70/497427270.db2.gz JWQCNHVQIRVGIH-YOEHRIQHSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261653906 497427672 /nfs/dbraw/zinc/42/76/72/497427672.db2.gz JWQCNHVQIRVGIH-WMLDXEAASA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261653906 497427676 /nfs/dbraw/zinc/42/76/76/497427676.db2.gz JWQCNHVQIRVGIH-WMLDXEAASA-N 2 1 370.324 3.074 20 0 FGADMP C[N@H+]1CC=C(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000271874969 497477462 /nfs/dbraw/zinc/47/74/62/497477462.db2.gz YZWXCEXRMVBQDM-UHFFFAOYSA-N 2 1 361.287 3.191 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000271874969 497477466 /nfs/dbraw/zinc/47/74/66/497477466.db2.gz YZWXCEXRMVBQDM-UHFFFAOYSA-N 2 1 361.287 3.191 20 0 FGADMP COC(=O)C[N@H+](CCc1ccc(Cl)cc1Cl)CC1CC[NH2+]CC1 ZINC000261998196 497489903 /nfs/dbraw/zinc/48/99/03/497489903.db2.gz TWLJRZFKUIMVFS-UHFFFAOYSA-N 2 1 359.297 3.011 20 0 FGADMP COC(=O)C[N@@H+](CCc1ccc(Cl)cc1Cl)CC1CC[NH2+]CC1 ZINC000261998196 497489908 /nfs/dbraw/zinc/48/99/08/497489908.db2.gz TWLJRZFKUIMVFS-UHFFFAOYSA-N 2 1 359.297 3.011 20 0 FGADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000262146485 497515774 /nfs/dbraw/zinc/51/57/74/497515774.db2.gz MVDBEPANCWSFPL-YESZJQIVSA-N 2 1 365.315 3.394 20 0 FGADMP CC(C)Oc1ccc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262161708 497518073 /nfs/dbraw/zinc/51/80/73/497518073.db2.gz STANAVYUURTDOO-IBGZPJMESA-N 2 1 353.510 3.107 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000193915495 497518085 /nfs/dbraw/zinc/51/80/85/497518085.db2.gz CCWZCQOKLFPSKE-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267369455 497534812 /nfs/dbraw/zinc/53/48/12/497534812.db2.gz SKROTCBEDOPHLR-RXVVDRJESA-N 2 1 372.557 3.069 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000572206456 505913579 /nfs/dbraw/zinc/91/35/79/505913579.db2.gz VFXMYBBIVQXNBW-UHFFFAOYSA-N 2 1 363.855 3.428 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000279843348 497561130 /nfs/dbraw/zinc/56/11/30/497561130.db2.gz ZYIZFKDKBXDIJA-IERDGZPVSA-N 2 1 354.498 3.428 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H]1C ZINC000279861882 497567355 /nfs/dbraw/zinc/56/73/55/497567355.db2.gz JAMLPYJMCGXVKW-CUWPLCDZSA-N 2 1 358.526 3.261 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000262629465 497587819 /nfs/dbraw/zinc/58/78/19/497587819.db2.gz DLWSUVZNWYFIJR-CZYKHXBRSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272300470 497589390 /nfs/dbraw/zinc/58/93/90/497589390.db2.gz PRNBJGDBXCQMQH-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)N3CCC[N@@H+](C)CC3)c2)CC1 ZINC000272324056 497596571 /nfs/dbraw/zinc/59/65/71/497596571.db2.gz BQLYEZLXRAXQBI-UHFFFAOYSA-N 2 1 358.530 3.130 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cc1 ZINC000262679164 497598065 /nfs/dbraw/zinc/59/80/65/497598065.db2.gz VGCWZNNXRYWJQB-KBRMVUAJSA-N 2 1 363.505 3.307 20 0 FGADMP C[C@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)[C@H]1CCC[NH2+]C1 ZINC000262683646 497599215 /nfs/dbraw/zinc/59/92/15/497599215.db2.gz ZMVYGXUBSUSSEE-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262696627 497602292 /nfs/dbraw/zinc/60/22/92/497602292.db2.gz DXRLLCVPIVMFQC-SKDZVZGDSA-N 2 1 355.885 3.106 20 0 FGADMP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246054104 497606264 /nfs/dbraw/zinc/60/62/64/497606264.db2.gz CLBDFNVJSGNZME-DNVCBOLYSA-N 2 1 355.486 3.025 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246054104 497606265 /nfs/dbraw/zinc/60/62/65/497606265.db2.gz CLBDFNVJSGNZME-DNVCBOLYSA-N 2 1 355.486 3.025 20 0 FGADMP C[C@]1(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000581134812 505917407 /nfs/dbraw/zinc/91/74/07/505917407.db2.gz DBPFRHKBOBSABJ-QFIPXVFZSA-N 2 1 372.557 3.259 20 0 FGADMP CNC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272463089 497634944 /nfs/dbraw/zinc/63/49/44/497634944.db2.gz KPEAEMZLYSJHTE-LAUBAEHRSA-N 2 1 351.494 3.046 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272532334 497654189 /nfs/dbraw/zinc/65/41/89/497654189.db2.gz OXZDRZCCSABTGM-ICSRJNTNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000262928645 497658561 /nfs/dbraw/zinc/65/85/61/497658561.db2.gz SMEICFMDJSKYNS-RZFNWQHOSA-N 2 1 365.521 3.372 20 0 FGADMP Cc1ccccc1-n1nccc1C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000280148297 497663861 /nfs/dbraw/zinc/66/38/61/497663861.db2.gz FBDLODLPGVZLLG-VXKWHMMOSA-N 2 1 368.525 3.038 20 0 FGADMP Brc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000246230461 497670185 /nfs/dbraw/zinc/67/01/85/497670185.db2.gz MNLAGGJHHJFRON-HRCADAONSA-N 2 1 364.331 3.244 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000272710509 497708777 /nfs/dbraw/zinc/70/87/77/497708777.db2.gz AVYUNXOSFWUDDC-QHCPKHFHSA-N 2 1 365.521 3.012 20 0 FGADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc2cccnc12 ZINC000578370207 505924666 /nfs/dbraw/zinc/92/46/66/505924666.db2.gz UAWHLBIIPQJFMY-CBQGHPETSA-N 2 1 364.537 3.286 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272730605 497714471 /nfs/dbraw/zinc/71/44/71/497714471.db2.gz ZRHSHRQBIXVHEK-VXGVFTFCSA-N 2 1 369.553 3.324 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000272730604 497715090 /nfs/dbraw/zinc/71/50/90/497715090.db2.gz ZRHSHRQBIXVHEK-TTWXDQCFSA-N 2 1 369.553 3.324 20 0 FGADMP C[C@@H](NC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246425039 497729285 /nfs/dbraw/zinc/72/92/85/497729285.db2.gz VYCXJOFDQDKYGN-FGTMMUONSA-N 2 1 354.583 3.020 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000263288639 497750053 /nfs/dbraw/zinc/75/00/53/497750053.db2.gz VSJBNBJQPBCWBE-DWLFOUALSA-N 2 1 365.521 3.003 20 0 FGADMP CC1CC[NH+](CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000246540642 497768375 /nfs/dbraw/zinc/76/83/75/497768375.db2.gz QDZDBYYKBYQCGA-FPOVZHCZSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000246564779 497775456 /nfs/dbraw/zinc/77/54/56/497775456.db2.gz NNRBNAKINACESG-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000246564779 497775461 /nfs/dbraw/zinc/77/54/61/497775461.db2.gz NNRBNAKINACESG-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000246564779 497775463 /nfs/dbraw/zinc/77/54/63/497775463.db2.gz NNRBNAKINACESG-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCC2)[C@@H](C)C1 ZINC000246570642 497777940 /nfs/dbraw/zinc/77/79/40/497777940.db2.gz YNLMKFFXGKSTJT-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581615 497781141 /nfs/dbraw/zinc/78/11/41/497781141.db2.gz GDQRNDUHTJCVHH-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581615 497781145 /nfs/dbraw/zinc/78/11/45/497781145.db2.gz GDQRNDUHTJCVHH-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581615 497781151 /nfs/dbraw/zinc/78/11/51/497781151.db2.gz GDQRNDUHTJCVHH-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000277260702 497790073 /nfs/dbraw/zinc/79/00/73/497790073.db2.gz QYMULSVJBVWYPZ-AWEZNQCLSA-N 2 1 368.319 3.194 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246790021 497811154 /nfs/dbraw/zinc/81/11/54/497811154.db2.gz AHSQFHHVUJLJDO-NQIIRXRSSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cc2)C[C@H](C)O1 ZINC000246875526 497817954 /nfs/dbraw/zinc/81/79/54/497817954.db2.gz DSKQDIPEWVHARV-FVJLSDCUSA-N 2 1 368.525 3.197 20 0 FGADMP Cn1cncc1Cc1noc([C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000329596429 497840025 /nfs/dbraw/zinc/84/00/25/497840025.db2.gz IPEVOMQMIFIWMY-OAHLLOKOSA-N 2 1 366.469 3.368 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CCN(c2ccccn2)CC1 ZINC000364228113 497849091 /nfs/dbraw/zinc/84/90/91/497849091.db2.gz YHWTVTKCPUMSMH-UYAOXDASSA-N 2 1 370.541 3.163 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C12CCOCC2 ZINC000364234204 497853823 /nfs/dbraw/zinc/85/38/23/497853823.db2.gz BNYCVMHRYMSLMV-PLACYPQZSA-N 2 1 358.526 3.243 20 0 FGADMP [NH3+]C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240536 505940929 /nfs/dbraw/zinc/94/09/29/505940929.db2.gz JEZNUJRFOJJWNB-FPOVZHCZSA-N 2 1 366.509 3.156 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299724011 497908879 /nfs/dbraw/zinc/90/88/79/497908879.db2.gz TXTOSZGPKOUOCR-UHFFFAOYSA-N 2 1 359.861 3.460 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000299724011 497908882 /nfs/dbraw/zinc/90/88/82/497908882.db2.gz TXTOSZGPKOUOCR-UHFFFAOYSA-N 2 1 359.861 3.460 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449202 497962923 /nfs/dbraw/zinc/96/29/23/497962923.db2.gz RUJDDUVUXPVJKF-WDSOQIARSA-N 2 1 354.498 3.277 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000572393215 505957977 /nfs/dbraw/zinc/95/79/77/505957977.db2.gz AAPCYDKIAYWDOI-HNNXBMFYSA-N 2 1 372.296 3.308 20 0 FGADMP CCn1ccnc1CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000296280148 497983026 /nfs/dbraw/zinc/98/30/26/497983026.db2.gz MXDFWOAMUBWMEU-QGZVFWFLSA-N 2 1 369.513 3.277 20 0 FGADMP CCn1ccnc1C[N@@H+](CCCCC1CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000578533314 505962296 /nfs/dbraw/zinc/96/22/96/505962296.db2.gz CRKWATIEUHJZGL-FQEVSTJZSA-N 2 1 374.573 3.444 20 0 FGADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)C1 ZINC000281077387 498011848 /nfs/dbraw/zinc/01/18/48/498011848.db2.gz UFBKNOOEYUJCNG-LMCOJAPRSA-N 2 1 354.498 3.419 20 0 FGADMP Cc1nn(-c2ccccn2)c(Cl)c1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000289132946 498028628 /nfs/dbraw/zinc/02/86/28/498028628.db2.gz ORYPTCSATQDMED-AWEZNQCLSA-N 2 1 356.861 3.332 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)c2cc(C[NH+]3CCCC3)on2)c1 ZINC000292504841 498039882 /nfs/dbraw/zinc/03/98/82/498039882.db2.gz GAKFHOUMAGEBNC-UHFFFAOYSA-N 2 1 370.497 3.042 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CC2)cc1 ZINC000575397731 505971655 /nfs/dbraw/zinc/97/16/55/505971655.db2.gz DXZATCVXQXDIGF-SFTDATJTSA-N 2 1 373.541 3.027 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000364663924 498076972 /nfs/dbraw/zinc/07/69/72/498076972.db2.gz OYDAWQRYONHUIP-GTAWCEEGSA-N 2 1 360.546 3.366 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000289272034 498085497 /nfs/dbraw/zinc/08/54/97/498085497.db2.gz PHMDDLRDGPDCSK-VGSWGCGISA-N 2 1 363.505 3.412 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c2ccccc21 ZINC000289272032 498085872 /nfs/dbraw/zinc/08/58/72/498085872.db2.gz PHMDDLRDGPDCSK-VGOFRKELSA-N 2 1 363.505 3.412 20 0 FGADMP CN(CC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000364693323 498091972 /nfs/dbraw/zinc/09/19/72/498091972.db2.gz CJEMLQFCUBSROQ-JXFKEZNVSA-N 2 1 372.900 3.298 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285613892 498147055 /nfs/dbraw/zinc/14/70/55/498147055.db2.gz KIQHFKWASHZIPJ-MRXNPFEDSA-N 2 1 365.477 3.333 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)CC2)cc1 ZINC000572514778 505987330 /nfs/dbraw/zinc/98/73/30/505987330.db2.gz XTHBEXDPWZWCIL-NJDAHSKKSA-N 2 1 358.501 3.380 20 0 FGADMP Cc1cc(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cn2cc[nH+]c12 ZINC000296721134 498168882 /nfs/dbraw/zinc/16/88/82/498168882.db2.gz BPVGMSHRWDYIQX-UHFFFAOYSA-N 2 1 364.453 3.076 20 0 FGADMP Cc1cc(N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)nc(C(C)C)n1 ZINC000301723154 498239001 /nfs/dbraw/zinc/23/90/01/498239001.db2.gz OBCLJPPGBZYGDR-OALUTQOASA-N 2 1 354.498 3.203 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+]2CCC(C)(C)C2)cc1 ZINC000581522716 506006763 /nfs/dbraw/zinc/00/67/63/506006763.db2.gz ANWMFTMLWPIJED-GOSISDBHSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000581522716 506006765 /nfs/dbraw/zinc/00/67/65/506006765.db2.gz ANWMFTMLWPIJED-GOSISDBHSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000581522716 506006766 /nfs/dbraw/zinc/00/67/66/506006766.db2.gz ANWMFTMLWPIJED-GOSISDBHSA-N 2 1 357.542 3.409 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1Cl)C2 ZINC000365082313 498288184 /nfs/dbraw/zinc/28/81/84/498288184.db2.gz JVAWZHHRTZUXHN-DGCLKSJQSA-N 2 1 367.280 3.430 20 0 FGADMP c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000360642860 498293633 /nfs/dbraw/zinc/29/36/33/498293633.db2.gz RDEKHFLLLKBTHE-BURNTYAHSA-N 3 1 350.510 3.261 20 0 FGADMP Cn1cc(C[N@@H+]2C[C@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790247 498310051 /nfs/dbraw/zinc/31/00/51/498310051.db2.gz CSKYTYHDWZGURB-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[N@H+]2C[C@H]3C[NH+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790247 498310056 /nfs/dbraw/zinc/31/00/56/498310056.db2.gz CSKYTYHDWZGURB-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790247 498310063 /nfs/dbraw/zinc/31/00/63/498310063.db2.gz CSKYTYHDWZGURB-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP Cn1cc(C[NH+]2C[C@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)c(-c2ccncc2)n1 ZINC000360790247 498310069 /nfs/dbraw/zinc/31/00/69/498310069.db2.gz CSKYTYHDWZGURB-KJXAQDMKSA-N 2 1 373.504 3.217 20 0 FGADMP OC[C@@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000289836886 498315344 /nfs/dbraw/zinc/31/53/44/498315344.db2.gz MYWNVIQSWPQFGR-GOTSBHOMSA-N 2 1 350.506 3.407 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141966 498330889 /nfs/dbraw/zinc/33/08/89/498330889.db2.gz ZKIWSSOGPPRJJL-YJBOKZPZSA-N 2 1 353.470 3.123 20 0 FGADMP Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn2cc[nH+]c12 ZINC000297141966 498330897 /nfs/dbraw/zinc/33/08/97/498330897.db2.gz ZKIWSSOGPPRJJL-YJBOKZPZSA-N 2 1 353.470 3.123 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(NC(=O)OC(C)(C)C)s1 ZINC000281949732 498331286 /nfs/dbraw/zinc/33/12/86/498331286.db2.gz IOKAVGZCFAJCPR-UHFFFAOYSA-N 2 1 351.476 3.175 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000581575496 506018249 /nfs/dbraw/zinc/01/82/49/506018249.db2.gz RSRYLNPCGWGIOH-CQSZACIVSA-N 2 1 360.454 3.048 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000365190626 498343059 /nfs/dbraw/zinc/34/30/59/498343059.db2.gz IAKFSAGAZZUHJZ-IEBWSBKVSA-N 2 1 360.889 3.187 20 0 FGADMP O[C@H](C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)CC(F)(F)F ZINC000293349350 498354272 /nfs/dbraw/zinc/35/42/72/498354272.db2.gz NQRQHGRPKSDXJU-KRWDZBQOSA-N 2 1 356.432 3.288 20 0 FGADMP COCC[C@]1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC[NH2+]C1 ZINC000361717338 498423092 /nfs/dbraw/zinc/42/30/92/498423092.db2.gz DEVSWFMLZVSWAI-LAUBAEHRSA-N 2 1 359.514 3.016 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635301 506032316 /nfs/dbraw/zinc/03/23/16/506032316.db2.gz ZQMKCGXACMHWCT-DYVFJYSZSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635301 506032320 /nfs/dbraw/zinc/03/23/20/506032320.db2.gz ZQMKCGXACMHWCT-DYVFJYSZSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635301 506032324 /nfs/dbraw/zinc/03/23/24/506032324.db2.gz ZQMKCGXACMHWCT-DYVFJYSZSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635301 506032330 /nfs/dbraw/zinc/03/23/30/506032330.db2.gz ZQMKCGXACMHWCT-DYVFJYSZSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635301 506032335 /nfs/dbraw/zinc/03/23/35/506032335.db2.gz ZQMKCGXACMHWCT-DYVFJYSZSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635301 506032341 /nfs/dbraw/zinc/03/23/41/506032341.db2.gz ZQMKCGXACMHWCT-DYVFJYSZSA-N 2 1 365.315 3.497 20 0 FGADMP CN1CC[NH+](C[C@H]2CCCN(c3cc[nH+]c4cc(Cl)ccc43)C2)CC1 ZINC000361813087 498435539 /nfs/dbraw/zinc/43/55/39/498435539.db2.gz HWFGIXGTDGNLMG-MRXNPFEDSA-N 2 1 358.917 3.352 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1OC ZINC000575923528 506033816 /nfs/dbraw/zinc/03/38/16/506033816.db2.gz UNNROEHVODLTNT-IACUBPJLSA-N 2 1 369.303 3.026 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1OC ZINC000575923528 506033818 /nfs/dbraw/zinc/03/38/18/506033818.db2.gz UNNROEHVODLTNT-IACUBPJLSA-N 2 1 369.303 3.026 20 0 FGADMP C[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000293721651 498466536 /nfs/dbraw/zinc/46/65/36/498466536.db2.gz POIZATHJIJIXNB-INIZCTEOSA-N 2 1 369.509 3.441 20 0 FGADMP Cc1cnccc1OC1CCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000575947251 506038908 /nfs/dbraw/zinc/03/89/08/506038908.db2.gz CKWBPHKBPCWZBL-AEFFLSMTSA-N 2 1 374.529 3.063 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000575947251 506038911 /nfs/dbraw/zinc/03/89/11/506038911.db2.gz CKWBPHKBPCWZBL-AEFFLSMTSA-N 2 1 374.529 3.063 20 0 FGADMP Cn1ccnc1[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000297566438 498495667 /nfs/dbraw/zinc/49/56/67/498495667.db2.gz HNBDEKJQCVIZFS-FQEVSTJZSA-N 2 1 365.456 3.302 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000576002617 506053478 /nfs/dbraw/zinc/05/34/78/506053478.db2.gz ZWURVFBCTYRJHE-PZJWPPBQSA-N 2 1 361.574 3.125 20 0 FGADMP CC(C)(C(N)=O)N1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000332127557 498571348 /nfs/dbraw/zinc/57/13/48/498571348.db2.gz NGCFVLNSOJEDLU-UHFFFAOYSA-N 2 1 358.530 3.104 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)n1 ZINC000302785715 498574473 /nfs/dbraw/zinc/57/44/73/498574473.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000302785715 498574483 /nfs/dbraw/zinc/57/44/83/498574483.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000302785715 498574487 /nfs/dbraw/zinc/57/44/87/498574487.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[N@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785715 498574495 /nfs/dbraw/zinc/57/44/95/498574495.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[N@@H+](C)C2)nc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785715 498574502 /nfs/dbraw/zinc/57/45/02/498574502.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000302785715 498574510 /nfs/dbraw/zinc/57/45/10/498574510.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@H]2CCC[NH+](C)C2)nc(NC[C@@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000302785715 498574516 /nfs/dbraw/zinc/57/45/16/498574516.db2.gz VSFNRMDIKKGAST-MSOLQXFVSA-N 3 1 374.577 3.107 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2c[nH]c3nccnc23)cc1F ZINC000365649573 498577364 /nfs/dbraw/zinc/57/73/64/498577364.db2.gz KDJJEIISNCSUNT-LBPRGKRZSA-N 2 1 350.401 3.394 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)Cc3cncs3)CC2)c1C ZINC000290565254 498600835 /nfs/dbraw/zinc/60/08/35/498600835.db2.gz SONUBUOQGSGWDA-UHFFFAOYSA-N 2 1 360.527 3.260 20 0 FGADMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)Cc3cncs3)CC2)c1C ZINC000290565254 498600840 /nfs/dbraw/zinc/60/08/40/498600840.db2.gz SONUBUOQGSGWDA-UHFFFAOYSA-N 2 1 360.527 3.260 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C=C(C1CC1)C1CC1 ZINC000365912563 498696838 /nfs/dbraw/zinc/69/68/38/498696838.db2.gz QEYICLAZPXXFSY-UHFFFAOYSA-N 2 1 373.585 3.388 20 0 FGADMP CN(C(=O)c1ccncc1)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298313688 498730324 /nfs/dbraw/zinc/73/03/24/498730324.db2.gz IAKYQLDJXXFSHL-UHFFFAOYSA-N 2 1 364.493 3.075 20 0 FGADMP COc1cccc(CCC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000303937468 498730549 /nfs/dbraw/zinc/73/05/49/498730549.db2.gz RXHLBJUQKCJBER-KDURUIRLSA-N 2 1 360.542 3.449 20 0 FGADMP O=C(c1ccccc1)N1CC[C@@H](C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000283021545 498747864 /nfs/dbraw/zinc/74/78/64/498747864.db2.gz GWSKLPZZXGRRSH-FPOVZHCZSA-N 2 1 355.526 3.099 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424419 498752552 /nfs/dbraw/zinc/75/25/52/498752552.db2.gz FQZZBEBSUQEYHA-OALUTQOASA-N 2 1 374.912 3.191 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000313115929 498765815 /nfs/dbraw/zinc/76/58/15/498765815.db2.gz ZSEVLTPXKUEDOQ-BHIFYINESA-N 2 1 364.489 3.473 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000287468096 498767963 /nfs/dbraw/zinc/76/79/63/498767963.db2.gz MFVNMPVFKIZHFM-KSYXXAMZSA-N 2 1 360.567 3.178 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000570089173 506087286 /nfs/dbraw/zinc/08/72/86/506087286.db2.gz XFIJWTAPZUMHJR-YCRPNKLZSA-N 2 1 360.461 3.245 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000314887216 498781064 /nfs/dbraw/zinc/78/10/64/498781064.db2.gz BPYLQDULHHPLCD-UHFFFAOYSA-N 2 1 360.202 3.345 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000572945909 506089786 /nfs/dbraw/zinc/08/97/86/506089786.db2.gz OJEMOYHYFHKQEB-FQEVSTJZSA-N 2 1 350.466 3.221 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000363399400 498800975 /nfs/dbraw/zinc/80/09/75/498800975.db2.gz YCPMUMXEYLTDSA-OAQYLSRUSA-N 2 1 374.573 3.312 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000570122076 506094743 /nfs/dbraw/zinc/09/47/43/506094743.db2.gz VFKRNYLIBDSVNM-VQTJNVASSA-N 2 1 374.573 3.318 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2CC(=O)c2cccs2)CC1 ZINC000283255343 498831409 /nfs/dbraw/zinc/83/14/09/498831409.db2.gz KFIBGKDBBSPRGU-SFHVURJKSA-N 2 1 363.571 3.201 20 0 FGADMP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nnc2n1CCCCC2 ZINC000366291883 498861239 /nfs/dbraw/zinc/86/12/39/498861239.db2.gz YZFZNKAYZYPVKA-IRXDYDNUSA-N 2 1 371.529 3.357 20 0 FGADMP c1ccc(Oc2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn2)cc1 ZINC000570153459 506103106 /nfs/dbraw/zinc/10/31/06/506103106.db2.gz GYNBBFBSHHMTRP-SLFFLAALSA-N 2 1 353.466 3.121 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)Nc3ccsc3)CC2)CC1 ZINC000366295609 498863617 /nfs/dbraw/zinc/86/36/17/498863617.db2.gz MDMUDBZNCOKKOG-UHFFFAOYSA-N 2 1 350.532 3.066 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366332257 498877423 /nfs/dbraw/zinc/87/74/23/498877423.db2.gz YVTIRGPGCVJGTA-NEWSRXKRSA-N 2 1 357.885 3.149 20 0 FGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1cccc(Br)c1 ZINC000579109526 506096410 /nfs/dbraw/zinc/09/64/10/506096410.db2.gz IBLYLCFOXRBAKH-ZFWWWQNUSA-N 2 1 368.319 3.288 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295084758 498903686 /nfs/dbraw/zinc/90/36/86/498903686.db2.gz UIBKMDXBRDIICZ-JAXLGGSGSA-N 2 1 350.510 3.218 20 0 FGADMP COc1cccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881275 498906065 /nfs/dbraw/zinc/90/60/65/498906065.db2.gz KESXZMJLZNDWEA-IRXDYDNUSA-N 2 1 359.514 3.266 20 0 FGADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366438370 498927272 /nfs/dbraw/zinc/92/72/72/498927272.db2.gz YTBILSWSNGBIEU-GZNCHQMQSA-N 2 1 369.513 3.025 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000366513325 498960760 /nfs/dbraw/zinc/96/07/60/498960760.db2.gz LZASYROCXPNXKW-IEBWSBKVSA-N 2 1 374.529 3.075 20 0 FGADMP FC(F)(F)COc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000573112205 506121362 /nfs/dbraw/zinc/12/13/62/506121362.db2.gz APPUIFZZJRXCNN-KRWDZBQOSA-N 2 1 372.431 3.314 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000333362798 498992021 /nfs/dbraw/zinc/99/20/21/498992021.db2.gz XUEMVKZANZUOAB-WOJBJXKFSA-N 2 1 374.525 3.096 20 0 FGADMP CCCCc1nc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cs1 ZINC000363800429 499000539 /nfs/dbraw/zinc/00/05/39/499000539.db2.gz NAIASLUQRWLIPH-UHFFFAOYSA-N 2 1 364.603 3.335 20 0 FGADMP C[C@]1(NC(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000582066432 506126282 /nfs/dbraw/zinc/12/62/82/506126282.db2.gz CJKDZHDFFHXMRE-QFIPXVFZSA-N 2 1 372.557 3.216 20 0 FGADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000288414728 499018496 /nfs/dbraw/zinc/01/84/96/499018496.db2.gz ARZYQQZTONAJEI-UHFFFAOYSA-N 2 1 373.545 3.270 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](CCC(Cl)(Cl)Cl)CC2)CC1 ZINC000363848873 499023817 /nfs/dbraw/zinc/02/38/17/499023817.db2.gz ZKTXYTJBRCWQCD-UHFFFAOYSA-N 2 1 356.769 3.237 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000299409338 499049862 /nfs/dbraw/zinc/04/98/62/499049862.db2.gz ZCIYRSPTBBCSEO-FQEVSTJZSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)cc1 ZINC000366819488 499083781 /nfs/dbraw/zinc/08/37/81/499083781.db2.gz GJWQTZCTIFSQDU-NEWSRXKRSA-N 2 1 357.523 3.256 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cnc(C(C)(C)C)nc3)c2)CCO1 ZINC000284424827 499105548 /nfs/dbraw/zinc/10/55/48/499105548.db2.gz RNBLDQPJLAYFJY-QGZVFWFLSA-N 2 1 368.525 3.285 20 0 FGADMP COc1ccc2c(c1)[C@H](C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000367043394 499138952 /nfs/dbraw/zinc/13/89/52/499138952.db2.gz PWBBFIMYXDEUIP-LJQANCHMSA-N 2 1 359.558 3.073 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000367110428 499150170 /nfs/dbraw/zinc/15/01/70/499150170.db2.gz NFQOPZGETMAJTI-GOSISDBHSA-N 2 1 365.949 3.068 20 0 FGADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000367284967 499173419 /nfs/dbraw/zinc/17/34/19/499173419.db2.gz AOWWFZPCZMWOHE-VXKWHMMOSA-N 2 1 369.509 3.027 20 0 FGADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000367284967 499173421 /nfs/dbraw/zinc/17/34/21/499173421.db2.gz AOWWFZPCZMWOHE-VXKWHMMOSA-N 2 1 369.509 3.027 20 0 FGADMP CO[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000367288611 499173739 /nfs/dbraw/zinc/17/37/39/499173739.db2.gz HILCEMZRNIDYPZ-PMACEKPBSA-N 2 1 365.949 3.128 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000367337146 499183955 /nfs/dbraw/zinc/18/39/55/499183955.db2.gz XPFHWEDEONJCJD-GCJKJVERSA-N 2 1 370.493 3.461 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000367337146 499183957 /nfs/dbraw/zinc/18/39/57/499183957.db2.gz XPFHWEDEONJCJD-GCJKJVERSA-N 2 1 370.493 3.461 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000370303958 499207581 /nfs/dbraw/zinc/20/75/81/499207581.db2.gz VZVGKBVXTSOUEV-IRXDYDNUSA-N 2 1 363.550 3.329 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccnc2ccncc21 ZINC000370347149 499211911 /nfs/dbraw/zinc/21/19/11/499211911.db2.gz PJYRAHJBMJUWFF-UHFFFAOYSA-N 2 1 367.541 3.262 20 0 FGADMP Cc1cc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000367597902 499216311 /nfs/dbraw/zinc/21/63/11/499216311.db2.gz UGCIRCHVHGWLES-UHFFFAOYSA-N 2 1 363.571 3.325 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@H]2CCC[C@@H]21 ZINC000367611329 499217531 /nfs/dbraw/zinc/21/75/31/499217531.db2.gz BQMSNTYGXAQPPV-QYZOEREBSA-N 2 1 353.466 3.494 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367621763 499218972 /nfs/dbraw/zinc/21/89/72/499218972.db2.gz TVTKLVMMYUSSCN-INMHGKMJSA-N 2 1 365.905 3.140 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226263 /nfs/dbraw/zinc/22/62/63/499226263.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226265 /nfs/dbraw/zinc/22/62/65/499226265.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000367702035 499226267 /nfs/dbraw/zinc/22/62/67/499226267.db2.gz LNXSFSNLSRMDSI-QKLQHJQFSA-N 2 1 351.535 3.050 20 0 FGADMP CSc1nnc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1CC(C)C ZINC000367751728 499231021 /nfs/dbraw/zinc/23/10/21/499231021.db2.gz GEFNXJKMGKHEHM-ZACQAIPSSA-N 2 1 365.591 3.051 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(-n2ccnc2)c1 ZINC000370644791 499239117 /nfs/dbraw/zinc/23/91/17/499239117.db2.gz GXQKICRABDFMPJ-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@H]([NH3+])c1ccccc1 ZINC000370772360 499253234 /nfs/dbraw/zinc/25/32/34/499253234.db2.gz KXQMKGQKAYHQQW-GSNCRSPSSA-N 2 1 363.505 3.084 20 0 FGADMP COCC[C@@]1(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)CC[NH2+]C1 ZINC000370782566 499254174 /nfs/dbraw/zinc/25/41/74/499254174.db2.gz UOINXDXHSKTZHZ-NRFANRHFSA-N 2 1 370.497 3.010 20 0 FGADMP C[C@@H]1C[C@H](CNCc2ncc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368030776 499257281 /nfs/dbraw/zinc/25/72/81/499257281.db2.gz PMBAHCALPDGMLE-NVXWUHKLSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000368047334 499259305 /nfs/dbraw/zinc/25/93/05/499259305.db2.gz SWTVTOYOYKBTGY-WCXIOVBPSA-N 2 1 351.535 3.094 20 0 FGADMP CN(C(=O)/C=C/c1ccc(Cl)s1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000370836203 499260468 /nfs/dbraw/zinc/26/04/68/499260468.db2.gz ANLQCJIOQUKEGQ-CSPWOOARSA-N 2 1 367.946 3.042 20 0 FGADMP CN(C(=O)/C=C/c1ccc(Cl)s1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370836203 499260469 /nfs/dbraw/zinc/26/04/69/499260469.db2.gz ANLQCJIOQUKEGQ-CSPWOOARSA-N 2 1 367.946 3.042 20 0 FGADMP C[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)[C@H]1C ZINC000371071874 499285946 /nfs/dbraw/zinc/28/59/46/499285946.db2.gz FNSGJUGIVHBSIW-MSOLQXFVSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421215 499294147 /nfs/dbraw/zinc/29/41/47/499294147.db2.gz BZJFPIDSXLHHHO-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610764 499313426 /nfs/dbraw/zinc/31/34/26/499313426.db2.gz DKHQPSYNCOCASB-DOTOQJQBSA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610764 499313427 /nfs/dbraw/zinc/31/34/27/499313427.db2.gz DKHQPSYNCOCASB-DOTOQJQBSA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610764 499313428 /nfs/dbraw/zinc/31/34/28/499313428.db2.gz DKHQPSYNCOCASB-DOTOQJQBSA-N 2 1 350.576 3.072 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468345 499330714 /nfs/dbraw/zinc/33/07/14/499330714.db2.gz APSGGKWMDFEZIF-BHIFYINESA-N 2 1 351.494 3.432 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490315 499333400 /nfs/dbraw/zinc/33/34/00/499333400.db2.gz DLAXDSUFABZNOZ-MAUKXSAKSA-N 2 1 354.498 3.248 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000371489845 499333665 /nfs/dbraw/zinc/33/36/65/499333665.db2.gz ALLGOWCQDLTOAK-CHWSQXEVSA-N 2 1 366.387 3.142 20 0 FGADMP CC[NH+](CC)CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000371527857 499338151 /nfs/dbraw/zinc/33/81/51/499338151.db2.gz YDQIKFKNZGEYCD-GOSISDBHSA-N 2 1 360.546 3.341 20 0 FGADMP COc1ccc(OCCC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000368850269 499339503 /nfs/dbraw/zinc/33/95/03/499339503.db2.gz IUBANGJJUITUAM-UHFFFAOYSA-N 2 1 362.514 3.039 20 0 FGADMP C[N@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368860001 499340549 /nfs/dbraw/zinc/34/05/49/499340549.db2.gz SDKVQHHTDXKGRO-UHFFFAOYSA-N 2 1 354.441 3.363 20 0 FGADMP C[N@@H+](Cc1ccc(OC(F)F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368860001 499340550 /nfs/dbraw/zinc/34/05/50/499340550.db2.gz SDKVQHHTDXKGRO-UHFFFAOYSA-N 2 1 354.441 3.363 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cnc(C(F)(F)F)s3)C2)nc(C)[nH+]1 ZINC000368911022 499345741 /nfs/dbraw/zinc/34/57/41/499345741.db2.gz AQPPDMRIOFFRAP-LBPRGKRZSA-N 2 1 371.432 3.327 20 0 FGADMP CCn1cc([C@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000369185284 499375581 /nfs/dbraw/zinc/37/55/81/499375581.db2.gz USRYRXUGYCDUKB-KNQAVFIVSA-N 2 1 368.525 3.235 20 0 FGADMP Cc1ccc([C@H](C)N(C)C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000369363257 499395582 /nfs/dbraw/zinc/39/55/82/499395582.db2.gz KJCSAXZFWSLUCR-RBUKOAKNSA-N 2 1 372.557 3.174 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C1CC1)C1CC1 ZINC000372238204 499411665 /nfs/dbraw/zinc/41/16/65/499411665.db2.gz KGRCIGMABABHPC-UHFFFAOYSA-N 2 1 361.574 3.077 20 0 FGADMP C(=C/C[N@H+]1CC[C@H](C2CCOCC2)C1)\C[NH+]1CC[C@H](C2CCOCC2)C1 ZINC000372270790 499415775 /nfs/dbraw/zinc/41/57/75/499415775.db2.gz UQCASXRPMZKGHP-HNSCLNPNSA-N 2 1 362.558 3.040 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000372348722 499423610 /nfs/dbraw/zinc/42/36/10/499423610.db2.gz QSRVMQPSTUMWDZ-ICSRJNTNSA-N 2 1 366.509 3.219 20 0 FGADMP C[C@@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372947190 499444261 /nfs/dbraw/zinc/44/42/61/499444261.db2.gz LTHJHYVOYUOKRQ-KRWDZBQOSA-N 2 1 370.497 3.232 20 0 FGADMP Cc1oc(-c2ccccc2)nc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000373179373 499455724 /nfs/dbraw/zinc/45/57/24/499455724.db2.gz ZAZGBAFPZMKYSE-KRWDZBQOSA-N 2 1 368.525 3.250 20 0 FGADMP Cc1oc(-c2ccccc2)nc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000373179373 499455725 /nfs/dbraw/zinc/45/57/25/499455725.db2.gz ZAZGBAFPZMKYSE-KRWDZBQOSA-N 2 1 368.525 3.250 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN3CCC(CCC[NH+](C)C)CC3)sc2C1 ZINC000373257028 499460072 /nfs/dbraw/zinc/46/00/72/499460072.db2.gz CYVVFDMWTAHYFZ-UHFFFAOYSA-N 2 1 364.603 3.463 20 0 FGADMP C[C@H]1[NH+](C/C=C/C[N@H+]2CCC3(CCOCC3)[C@H]2C)CCC12CCOCC2 ZINC000375241967 499498373 /nfs/dbraw/zinc/49/83/73/499498373.db2.gz MJTGNJQSKMJLDW-FMEUAVTJSA-N 2 1 362.558 3.325 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375358013 499510214 /nfs/dbraw/zinc/51/02/14/499510214.db2.gz USQMCCBVMWDUGW-XBYSBRQOSA-N 2 1 355.570 3.455 20 0 FGADMP COc1ccc([C@H]2OCC[C@@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000375359588 499510742 /nfs/dbraw/zinc/51/07/42/499510742.db2.gz BKSIPLGCIYBYGM-RBBKRZOGSA-N 2 1 367.493 3.174 20 0 FGADMP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490300 499523491 /nfs/dbraw/zinc/52/34/91/499523491.db2.gz DKZLRKBMFZJVCE-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000375585558 499535143 /nfs/dbraw/zinc/53/51/43/499535143.db2.gz UGDFTTQIZZKQBY-IBGZPJMESA-N 2 1 360.505 3.327 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000382724664 499546150 /nfs/dbraw/zinc/54/61/50/499546150.db2.gz RCNGBJKGQMIDAK-LEWJYISDSA-N 2 1 357.542 3.265 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000579334917 506149367 /nfs/dbraw/zinc/14/93/67/506149367.db2.gz BAVFNXJUCSXUGF-RBUKOAKNSA-N 2 1 372.538 3.027 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000388516680 499551105 /nfs/dbraw/zinc/55/11/05/499551105.db2.gz QKTKZUSTZZPJDO-SXLOBPIMSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000388516680 499551107 /nfs/dbraw/zinc/55/11/07/499551107.db2.gz QKTKZUSTZZPJDO-SXLOBPIMSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000388516680 499551109 /nfs/dbraw/zinc/55/11/09/499551109.db2.gz QKTKZUSTZZPJDO-SXLOBPIMSA-N 2 1 357.542 3.134 20 0 FGADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000388516680 499551110 /nfs/dbraw/zinc/55/11/10/499551110.db2.gz QKTKZUSTZZPJDO-SXLOBPIMSA-N 2 1 357.542 3.134 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000582170734 506150017 /nfs/dbraw/zinc/15/00/17/506150017.db2.gz NJDDDRXRXKMLDS-LJQANCHMSA-N 2 1 358.530 3.002 20 0 FGADMP c1ccc(C[NH+]2CCC(NC[C@@H]3CCC[N@H+]3C3CCCCC3)CC2)nc1 ZINC000376003918 499575481 /nfs/dbraw/zinc/57/54/81/499575481.db2.gz PMNZDMGQXUSZPH-QFIPXVFZSA-N 2 1 356.558 3.433 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCCO[C@H]4C3(C)C)CC2)cs1 ZINC000376168579 499588526 /nfs/dbraw/zinc/58/85/26/499588526.db2.gz XIWBPEMZXSDWDW-IPMKNSEASA-N 2 1 363.571 3.457 20 0 FGADMP COc1cccc(-c2noc(CN[C@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000376305819 499599159 /nfs/dbraw/zinc/59/91/59/499599159.db2.gz KHSTVKCNQCXRKY-WBVHZDCISA-N 2 1 370.497 3.488 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176190 506151665 /nfs/dbraw/zinc/15/16/65/506151665.db2.gz HCINFNRCZSOSOS-ROUUACIJSA-N 2 1 359.514 3.009 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376389769 499604776 /nfs/dbraw/zinc/60/47/76/499604776.db2.gz YPGUGEDZWMGNGA-MRXNPFEDSA-N 2 1 350.507 3.111 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376389769 499604777 /nfs/dbraw/zinc/60/47/77/499604777.db2.gz YPGUGEDZWMGNGA-MRXNPFEDSA-N 2 1 350.507 3.111 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1OC(F)F ZINC000376417073 499607273 /nfs/dbraw/zinc/60/72/73/499607273.db2.gz WLWXAYGQBROETK-NJAFHUGGSA-N 2 1 368.468 3.310 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000409648541 499611883 /nfs/dbraw/zinc/61/18/83/499611883.db2.gz SPDDNHDUPDJFSW-SFHVURJKSA-N 2 1 351.922 3.181 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000579344970 506152206 /nfs/dbraw/zinc/15/22/06/506152206.db2.gz NUHVYGDGHTWLFJ-SFHLNBCPSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000579344970 506152211 /nfs/dbraw/zinc/15/22/11/506152211.db2.gz NUHVYGDGHTWLFJ-SFHLNBCPSA-N 2 1 374.550 3.298 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]2C[C@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377112660 499663332 /nfs/dbraw/zinc/66/33/32/499663332.db2.gz LIXYTFKBVWQVGP-LJQANCHMSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000377558642 499704525 /nfs/dbraw/zinc/70/45/25/499704525.db2.gz AGJWAAWSGGVGFD-GOSISDBHSA-N 2 1 359.445 3.165 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000573261655 506156207 /nfs/dbraw/zinc/15/62/07/506156207.db2.gz QRIUKMBNENLVJD-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000573261655 506156210 /nfs/dbraw/zinc/15/62/10/506156210.db2.gz QRIUKMBNENLVJD-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000573261655 506156213 /nfs/dbraw/zinc/15/62/13/506156213.db2.gz QRIUKMBNENLVJD-TZIWHRDSSA-N 2 1 374.573 3.317 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cc1 ZINC000377690038 499720347 /nfs/dbraw/zinc/72/03/47/499720347.db2.gz CLCRETQNDKWAOF-YWZLYKJASA-N 2 1 365.481 3.410 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281708 499721395 /nfs/dbraw/zinc/72/13/95/499721395.db2.gz AYEXMPPEGOMOLH-MSOLQXFVSA-N 2 1 364.555 3.099 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000411281708 499721396 /nfs/dbraw/zinc/72/13/96/499721396.db2.gz AYEXMPPEGOMOLH-MSOLQXFVSA-N 2 1 364.555 3.099 20 0 FGADMP C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709836 499723704 /nfs/dbraw/zinc/72/37/04/499723704.db2.gz VKJVYWLREBJGDA-INIZCTEOSA-N 2 1 373.522 3.147 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000377757841 499729411 /nfs/dbraw/zinc/72/94/11/499729411.db2.gz GFFXPUKUASDQKP-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000377757841 499729412 /nfs/dbraw/zinc/72/94/12/499729412.db2.gz GFFXPUKUASDQKP-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000377757841 499729414 /nfs/dbraw/zinc/72/94/14/499729414.db2.gz GFFXPUKUASDQKP-FCHUYYIVSA-N 2 1 363.505 3.000 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000414263413 499772600 /nfs/dbraw/zinc/77/26/00/499772600.db2.gz JLQRUKUIUBDZNJ-CDNPAEQRSA-N 2 1 368.521 3.367 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)c1cccc(CO)c1 ZINC000414263413 499772602 /nfs/dbraw/zinc/77/26/02/499772602.db2.gz JLQRUKUIUBDZNJ-CDNPAEQRSA-N 2 1 368.521 3.367 20 0 FGADMP C[NH+]1CCC([NH2+]C2CCN(Cc3cccc(Br)c3)CC2)CC1 ZINC000414348186 499779828 /nfs/dbraw/zinc/77/98/28/499779828.db2.gz INXFOECOFDUQBO-UHFFFAOYSA-N 2 1 366.347 3.097 20 0 FGADMP Cc1occc1C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000414398702 499786470 /nfs/dbraw/zinc/78/64/70/499786470.db2.gz RIZPDAILIJRVEE-UHFFFAOYSA-N 2 1 369.509 3.048 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000411986576 499809726 /nfs/dbraw/zinc/80/97/26/499809726.db2.gz PPIGSJUAHFCDLQ-QZTJIDSGSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000411986576 499809728 /nfs/dbraw/zinc/80/97/28/499809728.db2.gz PPIGSJUAHFCDLQ-QZTJIDSGSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000411986576 499809730 /nfs/dbraw/zinc/80/97/30/499809730.db2.gz PPIGSJUAHFCDLQ-QZTJIDSGSA-N 2 1 366.571 3.343 20 0 FGADMP CCC[C@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695499 499820924 /nfs/dbraw/zinc/82/09/24/499820924.db2.gz OXSFXUFVCQRLLH-NHCUHLMSSA-N 2 1 359.558 3.307 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC[NH2+]1 ZINC000414747870 499826192 /nfs/dbraw/zinc/82/61/92/499826192.db2.gz NIFYZVBFJKASFH-KEYYUXOJSA-N 2 1 353.304 3.211 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774660 499829595 /nfs/dbraw/zinc/82/95/95/499829595.db2.gz FREQCBNUISEODW-KBPBESRZSA-N 2 1 353.304 3.279 20 0 FGADMP c1c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414766676 499828522 /nfs/dbraw/zinc/82/85/22/499828522.db2.gz RIFZWMXSIUQCCA-OAQYLSRUSA-N 2 1 351.498 3.246 20 0 FGADMP c1c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414766676 499828523 /nfs/dbraw/zinc/82/85/23/499828523.db2.gz RIFZWMXSIUQCCA-OAQYLSRUSA-N 2 1 351.498 3.246 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414791385 499831567 /nfs/dbraw/zinc/83/15/67/499831567.db2.gz QJJMBZOPXQRKNT-UHFFFAOYSA-N 2 1 363.303 3.093 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000414811453 499833567 /nfs/dbraw/zinc/83/35/67/499833567.db2.gz WIOJCUAMNPAIJF-MEDUHNTESA-N 2 1 354.285 3.181 20 0 FGADMP COc1c(Cl)cc(Cl)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415046069 499857905 /nfs/dbraw/zinc/85/79/05/499857905.db2.gz CJWHXIRABVPYCB-UHFFFAOYSA-N 2 1 372.340 3.308 20 0 FGADMP Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Br)c1 ZINC000415052839 499858646 /nfs/dbraw/zinc/85/86/46/499858646.db2.gz LSPXQMFKAYAUJD-UHFFFAOYSA-N 2 1 366.347 3.064 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415072079 499860468 /nfs/dbraw/zinc/86/04/68/499860468.db2.gz XOGDGKCMLTUMOP-BLLLJJGKSA-N 2 1 373.419 3.409 20 0 FGADMP CC(C)C[C@H]([NH3+])C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105706 499864464 /nfs/dbraw/zinc/86/44/64/499864464.db2.gz NDLJBDZSKWVVBO-LVCYWYKZSA-N 2 1 354.498 3.464 20 0 FGADMP CC(C)C[C@H]([NH3+])C[N@H+]1C[C@H]2CCC[C@@]2(c2nc(-c3ccccc3)no2)C1 ZINC000415105706 499864466 /nfs/dbraw/zinc/86/44/66/499864466.db2.gz NDLJBDZSKWVVBO-LVCYWYKZSA-N 2 1 354.498 3.464 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CCCO[C@H](C[NH3+])C3)cc2)c1 ZINC000415108140 499864540 /nfs/dbraw/zinc/86/45/40/499864540.db2.gz LTJBBJSSJQGXEI-OAQYLSRUSA-N 2 1 372.465 3.046 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CCCO[C@H](C[NH3+])C3)cc2)c1 ZINC000415108140 499864542 /nfs/dbraw/zinc/86/45/42/499864542.db2.gz LTJBBJSSJQGXEI-OAQYLSRUSA-N 2 1 372.465 3.046 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCCO1 ZINC000415111078 499865224 /nfs/dbraw/zinc/86/52/24/499865224.db2.gz QGECHYVISBMRRE-NRFANRHFSA-N 2 1 362.477 3.089 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCCO1 ZINC000415111078 499865225 /nfs/dbraw/zinc/86/52/25/499865225.db2.gz QGECHYVISBMRRE-NRFANRHFSA-N 2 1 362.477 3.089 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(F)cc3Br)CC2)C1 ZINC000415116612 499865636 /nfs/dbraw/zinc/86/56/36/499865636.db2.gz BRKFZIXOBXFARS-WBVHZDCISA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C[C@@H]1C[NH3+] ZINC000415119982 499866199 /nfs/dbraw/zinc/86/61/99/499866199.db2.gz FPLXGKSFKOCFFO-HKUYNNGSSA-N 2 1 361.493 3.351 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)c2)cc1 ZINC000415134174 499868792 /nfs/dbraw/zinc/86/87/92/499868792.db2.gz VRSASPOWHTVGED-VQIMIIECSA-N 2 1 367.493 3.364 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415979096 499936584 /nfs/dbraw/zinc/93/65/84/499936584.db2.gz ZFJORRUICDOEFX-LBPRGKRZSA-N 2 1 360.424 3.406 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415981474 499937190 /nfs/dbraw/zinc/93/71/90/499937190.db2.gz JIQGKEBPTSVXIM-FQEVSTJZSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415984105 499937458 /nfs/dbraw/zinc/93/74/58/499937458.db2.gz OPUQBKZVZIPQPN-XLIONFOSSA-N 2 1 366.509 3.438 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000428957124 499968228 /nfs/dbraw/zinc/96/82/28/499968228.db2.gz ZVUZTYTZIHPETR-ZIFCJYIRSA-N 2 1 360.546 3.097 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425033479 500000648 /nfs/dbraw/zinc/00/06/48/500000648.db2.gz DYEVDZURJZCQAA-LBPRGKRZSA-N 2 1 352.548 3.405 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000417229878 500011755 /nfs/dbraw/zinc/01/17/55/500011755.db2.gz YCUKOZGROBSOKC-XLIONFOSSA-N 2 1 372.557 3.378 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cccc(C4CC4)c3)CC2)CC1 ZINC000421322806 500016961 /nfs/dbraw/zinc/01/69/61/500016961.db2.gz UOZFRFFXTKKHKC-UHFFFAOYSA-N 2 1 369.553 3.330 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(SC)s3)CC2)CC1 ZINC000421369835 500030230 /nfs/dbraw/zinc/03/02/30/500030230.db2.gz HZAIXRFJIUUESY-UHFFFAOYSA-N 2 1 353.601 3.462 20 0 FGADMP COc1cc2[nH+]ccc(NCC3=CC[N@@H+](C)CC3)c2cc1Br ZINC000425243808 500054466 /nfs/dbraw/zinc/05/44/66/500054466.db2.gz GITVNQFNWXOPTQ-UHFFFAOYSA-N 2 1 362.271 3.102 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)C1(O)CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417388851 500057829 /nfs/dbraw/zinc/05/78/29/500057829.db2.gz WNAVUCKDDXZRJZ-UYAOXDASSA-N 2 1 360.542 3.054 20 0 FGADMP CS[C@@H]1CC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000425375431 500089377 /nfs/dbraw/zinc/08/93/77/500089377.db2.gz ZOLVMHPCFYPRME-SLFFLAALSA-N 2 1 360.567 3.399 20 0 FGADMP C[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585815 500108850 /nfs/dbraw/zinc/10/88/50/500108850.db2.gz UGWHXUFBPAPFMG-VQIMIIECSA-N 2 1 361.555 3.294 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000429683801 500123244 /nfs/dbraw/zinc/12/32/44/500123244.db2.gz LWRQBNUSCMFSJZ-OAQYLSRUSA-N 2 1 351.494 3.141 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2cccc3ccccc32)CC1 ZINC000429683801 500123246 /nfs/dbraw/zinc/12/32/46/500123246.db2.gz LWRQBNUSCMFSJZ-OAQYLSRUSA-N 2 1 351.494 3.141 20 0 FGADMP CC[C@@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@H]1CC1(C)C ZINC000414065195 500142735 /nfs/dbraw/zinc/14/27/35/500142735.db2.gz GTXQGZAFTDTXBU-WOJBJXKFSA-N 2 1 373.541 3.262 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C(C)C)c(F)c1 ZINC000421830465 500160987 /nfs/dbraw/zinc/16/09/87/500160987.db2.gz JYAOGLKBHSIRAD-OXQOHEQNSA-N 2 1 352.494 3.358 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)C1 ZINC000416966137 500168207 /nfs/dbraw/zinc/16/82/07/500168207.db2.gz FADVJWZJWPCYRJ-UIFIKXQLSA-N 2 1 372.557 3.235 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)C1 ZINC000416966704 500168690 /nfs/dbraw/zinc/16/86/90/500168690.db2.gz FXWDTMNHZZHKOV-QUCCMNQESA-N 2 1 372.557 3.189 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)C1 ZINC000416971861 500170934 /nfs/dbraw/zinc/17/09/34/500170934.db2.gz QKTTVEYQPVLOFT-DBXWQHBBSA-N 2 1 372.557 3.187 20 0 FGADMP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)C1 ZINC000416977564 500173177 /nfs/dbraw/zinc/17/31/77/500173177.db2.gz QDBINEZWTRWUEE-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)C1 ZINC000416979442 500174108 /nfs/dbraw/zinc/17/41/08/500174108.db2.gz SKVNALGZVHXJEC-LQWHRVPQSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416991730 500177955 /nfs/dbraw/zinc/17/79/55/500177955.db2.gz OSUDQKOPERDKEE-BMQTXXJKSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997868 500179757 /nfs/dbraw/zinc/17/97/57/500179757.db2.gz WIIARWGKWOFUIJ-NYUBLWNDSA-N 2 1 372.557 3.043 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000417833821 500180705 /nfs/dbraw/zinc/18/07/05/500180705.db2.gz UWGMTOLRNMWWAW-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1 ZINC000417850297 500183738 /nfs/dbraw/zinc/18/37/38/500183738.db2.gz DWQLXQHCBLHFKX-VCBZYWHSSA-N 2 1 355.486 3.153 20 0 FGADMP CCCN(C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[C@H]1CC[NH2+]C1 ZINC000417852227 500184562 /nfs/dbraw/zinc/18/45/62/500184562.db2.gz GYXDICIKJAFEGA-BEFAXECRSA-N 2 1 355.486 3.025 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000417868813 500188324 /nfs/dbraw/zinc/18/83/24/500188324.db2.gz DBLJXIYOLNQZIK-RXVVDRJESA-N 2 1 374.573 3.435 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000417878086 500189897 /nfs/dbraw/zinc/18/98/97/500189897.db2.gz OQJNGSVLMKGIHT-LEWJYISDSA-N 2 1 372.557 3.202 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417902506 500195307 /nfs/dbraw/zinc/19/53/07/500195307.db2.gz PNCIXHYQQXJUNX-HXUWFJFHSA-N 2 1 365.521 3.043 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417902506 500195310 /nfs/dbraw/zinc/19/53/10/500195310.db2.gz PNCIXHYQQXJUNX-HXUWFJFHSA-N 2 1 365.521 3.043 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000417918582 500197750 /nfs/dbraw/zinc/19/77/50/500197750.db2.gz FOOQEFHSUVJQSG-GFOJFJKKSA-N 2 1 372.557 3.104 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217714 500210385 /nfs/dbraw/zinc/21/03/85/500210385.db2.gz LGYFTEVWYTUJIX-IFMALSPDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217714 500210388 /nfs/dbraw/zinc/21/03/88/500210388.db2.gz LGYFTEVWYTUJIX-IFMALSPDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217714 500210391 /nfs/dbraw/zinc/21/03/91/500210391.db2.gz LGYFTEVWYTUJIX-IFMALSPDSA-N 2 1 372.557 3.024 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)N[C@@H](C)C3CCCCC3)CC2)CC1 ZINC000422224511 500237135 /nfs/dbraw/zinc/23/71/35/500237135.db2.gz FGBZVELQPSGBTM-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)C1 ZINC000418156839 500238602 /nfs/dbraw/zinc/23/86/02/500238602.db2.gz NPJYOHPLXKPHEN-SXLOBPIMSA-N 2 1 372.557 3.056 20 0 FGADMP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000418164489 500240533 /nfs/dbraw/zinc/24/05/33/500240533.db2.gz WYVVDSXGJOPBNS-RLLQIKCJSA-N 2 1 372.557 3.056 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422247998 500241277 /nfs/dbraw/zinc/24/12/77/500241277.db2.gz YRXLYUGRMMIFOF-UHFFFAOYSA-N 2 1 352.567 3.013 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000418192425 500246892 /nfs/dbraw/zinc/24/68/92/500246892.db2.gz YRBXTEAUXYKWML-JCGIZDLHSA-N 2 1 366.937 3.102 20 0 FGADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418246034 500255260 /nfs/dbraw/zinc/25/52/60/500255260.db2.gz SVJYAZXJPZGMID-RTWAWAEBSA-N 2 1 372.557 3.120 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574372 500256661 /nfs/dbraw/zinc/25/66/61/500256661.db2.gz SFXSOJXBSSUBNP-SUMWQHHRSA-N 2 1 357.901 3.131 20 0 FGADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000430574372 500256663 /nfs/dbraw/zinc/25/66/63/500256663.db2.gz SFXSOJXBSSUBNP-SUMWQHHRSA-N 2 1 357.901 3.131 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1)CC(C)C ZINC000418344777 500265428 /nfs/dbraw/zinc/26/54/28/500265428.db2.gz KWIPOAMDSJHBRT-HXUWFJFHSA-N 2 1 366.594 3.166 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430651670 500266124 /nfs/dbraw/zinc/26/61/24/500266124.db2.gz WGAOKONTLQSAAK-HNAYVOBHSA-N 2 1 369.513 3.019 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430651670 500266126 /nfs/dbraw/zinc/26/61/26/500266126.db2.gz WGAOKONTLQSAAK-HNAYVOBHSA-N 2 1 369.513 3.019 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000418351994 500267102 /nfs/dbraw/zinc/26/71/02/500267102.db2.gz MBNMBNHGHBJAIF-FXAWDEMLSA-N 2 1 360.546 3.183 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000418355400 500267702 /nfs/dbraw/zinc/26/77/02/500267702.db2.gz BKEMAOPBRKTFES-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418402042 500272659 /nfs/dbraw/zinc/27/26/59/500272659.db2.gz ARDHSHKQEZRIKS-YZGWKJHDSA-N 2 1 364.578 3.190 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000418466764 500280658 /nfs/dbraw/zinc/28/06/58/500280658.db2.gz ROHVHCJCKXOZFD-QGZVFWFLSA-N 2 1 360.546 3.360 20 0 FGADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000430767302 500281994 /nfs/dbraw/zinc/28/19/94/500281994.db2.gz VVAQJXBMRLRFKW-PMACEKPBSA-N 2 1 361.505 3.158 20 0 FGADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000430767302 500281995 /nfs/dbraw/zinc/28/19/95/500281995.db2.gz VVAQJXBMRLRFKW-PMACEKPBSA-N 2 1 361.505 3.158 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000422640705 500285311 /nfs/dbraw/zinc/28/53/11/500285311.db2.gz VVVPNGQWUXXJDM-HZSPNIEDSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(COC2CCOCC2)c1 ZINC000422711821 500288190 /nfs/dbraw/zinc/28/81/90/500288190.db2.gz NIILPALPNPJJBC-FDDCHVKYSA-N 2 1 368.521 3.430 20 0 FGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C1([NH+]2CCSCC2)CCCCC1 ZINC000422711625 500288611 /nfs/dbraw/zinc/28/86/11/500288611.db2.gz MZVJFTQXRBFXDD-IPMKNSEASA-N 2 1 351.604 3.248 20 0 FGADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734021 500291243 /nfs/dbraw/zinc/29/12/43/500291243.db2.gz BZALKJQPVDROFO-RXVVDRJESA-N 2 1 359.558 3.044 20 0 FGADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422757740 500294478 /nfs/dbraw/zinc/29/44/78/500294478.db2.gz IXBDFHKFTYBYRB-YEWWUXTCSA-N 2 1 355.448 3.286 20 0 FGADMP COc1ccc([C@H](NCC[N@@H+]2CCc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422811261 500301179 /nfs/dbraw/zinc/30/11/79/500301179.db2.gz VRKXEIDPBQQLKJ-PKTZIBPZSA-N 2 1 365.521 3.136 20 0 FGADMP COc1ccc([C@H](NCC[N@H+]2CCc3ccccc3C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422811261 500301181 /nfs/dbraw/zinc/30/11/81/500301181.db2.gz VRKXEIDPBQQLKJ-PKTZIBPZSA-N 2 1 365.521 3.136 20 0 FGADMP CC[NH+](CC)[C@@H](CN[C@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831565 500303433 /nfs/dbraw/zinc/30/34/33/500303433.db2.gz JZCXYFCKVAWJNF-DYESRHJHSA-N 2 1 354.542 3.452 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422834532 500303603 /nfs/dbraw/zinc/30/36/03/500303603.db2.gz ZTGAOUHPMLCYDW-CVEARBPZSA-N 2 1 359.857 3.412 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)c2ccccc21 ZINC000422836813 500304103 /nfs/dbraw/zinc/30/41/03/500304103.db2.gz SEOCKDPBRRIZEI-CVEARBPZSA-N 2 1 350.388 3.059 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000426672628 500305061 /nfs/dbraw/zinc/30/50/61/500305061.db2.gz SBIROOONAGJOGC-JTHBVZDNSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000426672628 500305063 /nfs/dbraw/zinc/30/50/63/500305063.db2.gz SBIROOONAGJOGC-JTHBVZDNSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000426672628 500305066 /nfs/dbraw/zinc/30/50/66/500305066.db2.gz SBIROOONAGJOGC-JTHBVZDNSA-N 2 1 367.537 3.128 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H](C)c3c[nH+]ccc3N)CCOCC2)cc1 ZINC000422880858 500310521 /nfs/dbraw/zinc/31/05/21/500310521.db2.gz PBUVLHWORZZZBO-INIZCTEOSA-N 2 1 355.482 3.292 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422904386 500313834 /nfs/dbraw/zinc/31/38/34/500313834.db2.gz XHCKJFLTUPDLGG-PKOBYXMFSA-N 2 1 360.546 3.325 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC[C@@H]1[NH3+] ZINC000430961164 500313846 /nfs/dbraw/zinc/31/38/46/500313846.db2.gz MTCUBIRLQAPCOE-UZLBHIALSA-N 2 1 353.466 3.477 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418735021 500315141 /nfs/dbraw/zinc/31/51/41/500315141.db2.gz VXNHJFNKGCFUCA-WOJBJXKFSA-N 2 1 366.594 3.294 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(Br)c1 ZINC000422929864 500318664 /nfs/dbraw/zinc/31/86/64/500318664.db2.gz AHEMQHRFKQTQSU-KDOFPFPSSA-N 2 1 363.299 3.376 20 0 FGADMP COc1cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc(Br)c1OC ZINC000422947704 500321966 /nfs/dbraw/zinc/32/19/66/500321966.db2.gz QZKMJOXUIDOUIM-KBPBESRZSA-N 2 1 357.292 3.216 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](C[NH3+])c1ccccc1 ZINC000431018859 500324344 /nfs/dbraw/zinc/32/43/44/500324344.db2.gz JRKPMAMXBSMTOU-RBBKRZOGSA-N 2 1 365.521 3.100 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422988393 500327649 /nfs/dbraw/zinc/32/76/49/500327649.db2.gz IYOPZFOQBVIIMD-BBRMVZONSA-N 2 1 353.388 3.027 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](CO)c1cccc(Br)c1 ZINC000422990738 500327663 /nfs/dbraw/zinc/32/76/63/500327663.db2.gz OPGNTUYBZJULIA-XOKHGSTOSA-N 2 1 355.320 3.383 20 0 FGADMP CCC[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000431087940 500333977 /nfs/dbraw/zinc/33/39/77/500333977.db2.gz RHECJGRCSPMNFP-UHFFFAOYSA-N 2 1 372.340 3.116 20 0 FGADMP CCC[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000431087940 500333981 /nfs/dbraw/zinc/33/39/81/500333981.db2.gz RHECJGRCSPMNFP-UHFFFAOYSA-N 2 1 372.340 3.116 20 0 FGADMP C[C@H](N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051040 500335858 /nfs/dbraw/zinc/33/58/58/500335858.db2.gz ZOMYQKVSCIBFDZ-MYEKKWIISA-N 2 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000423051040 500335859 /nfs/dbraw/zinc/33/58/59/500335859.db2.gz ZOMYQKVSCIBFDZ-MYEKKWIISA-N 3 1 369.553 3.485 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000423051040 500335860 /nfs/dbraw/zinc/33/58/60/500335860.db2.gz ZOMYQKVSCIBFDZ-MYEKKWIISA-N 3 1 369.553 3.485 20 0 FGADMP c1ccc(COCCC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423053654 500336285 /nfs/dbraw/zinc/33/62/85/500336285.db2.gz SEEWAAODZIETBH-HBMCJLEFSA-N 2 1 358.526 3.120 20 0 FGADMP c1ccc(COCCC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423053657 500336289 /nfs/dbraw/zinc/33/62/89/500336289.db2.gz SEEWAAODZIETBH-PWRODBHTSA-N 2 1 358.526 3.120 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000423060407 500336875 /nfs/dbraw/zinc/33/68/75/500336875.db2.gz IBHHNNMQIJHAAE-OPAMFIHVSA-N 2 1 352.526 3.410 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423060407 500336879 /nfs/dbraw/zinc/33/68/79/500336879.db2.gz IBHHNNMQIJHAAE-OPAMFIHVSA-N 2 1 352.526 3.410 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cc1 ZINC000423110960 500344017 /nfs/dbraw/zinc/34/40/17/500344017.db2.gz VKXMKQNEFTYIKH-XYJFISCASA-N 2 1 352.544 3.442 20 0 FGADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423124849 500345030 /nfs/dbraw/zinc/34/50/30/500345030.db2.gz MTTFNPRCANVXAC-VNTYHLNVSA-N 2 1 354.425 3.493 20 0 FGADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423169074 500350751 /nfs/dbraw/zinc/35/07/51/500350751.db2.gz YZJBBJIFMWMBEQ-RKVPGOIHSA-N 2 1 369.347 3.029 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccccc1I ZINC000423220578 500356217 /nfs/dbraw/zinc/35/62/17/500356217.db2.gz VRRAVUWMLQKTTC-AVGNSLFASA-N 2 1 358.267 3.330 20 0 FGADMP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])s2)cc1OC ZINC000423287726 500362010 /nfs/dbraw/zinc/36/20/10/500362010.db2.gz OBOPUCSQKYHFQG-GFCCVEGCSA-N 2 1 363.527 3.447 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423316197 500363428 /nfs/dbraw/zinc/36/34/28/500363428.db2.gz ASAGLRISZCLTKD-DYESRHJHSA-N 2 1 351.494 3.443 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423490281 500378538 /nfs/dbraw/zinc/37/85/38/500378538.db2.gz HQOOJLQCBWXCHQ-NHCUHLMSSA-N 2 1 358.457 3.086 20 0 FGADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423500919 500380104 /nfs/dbraw/zinc/38/01/04/500380104.db2.gz CEVNIACNHOFQDT-OOHWJJMZSA-N 2 1 351.922 3.216 20 0 FGADMP C[C@@H](NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccc(OCC[NH+](C)C)cc1 ZINC000423529654 500383044 /nfs/dbraw/zinc/38/30/44/500383044.db2.gz QFLRFHFLEYEWEH-NKZGEROYSA-N 2 1 371.569 3.431 20 0 FGADMP CN(C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@H]1CCC[NH2+]CC1 ZINC000423598290 500387545 /nfs/dbraw/zinc/38/75/45/500387545.db2.gz PDAZTVQBXYJUAW-ROUUACIJSA-N 2 1 358.530 3.094 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)c1cccc(F)c1 ZINC000431562458 500392344 /nfs/dbraw/zinc/39/23/44/500392344.db2.gz WYQDFRZATFVNCN-UXHICEINSA-N 2 1 361.505 3.342 20 0 FGADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423707563 500395827 /nfs/dbraw/zinc/39/58/27/500395827.db2.gz SXAIYTSYAISJME-ZWKOTPCHSA-N 2 1 358.530 3.142 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423769513 500400122 /nfs/dbraw/zinc/40/01/22/500400122.db2.gz CJXZIJUDZSPSBZ-UIFIKXQLSA-N 2 1 365.521 3.349 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000431629384 500400604 /nfs/dbraw/zinc/40/06/04/500400604.db2.gz DHWPBYCATWYIEP-QFIPXVFZSA-N 2 1 365.521 3.066 20 0 FGADMP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000431656137 500404133 /nfs/dbraw/zinc/40/41/33/500404133.db2.gz VFRJZASMGLPTNL-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810859 500404227 /nfs/dbraw/zinc/40/42/27/500404227.db2.gz NAGDANLXGOWQBE-AEFFLSMTSA-N 2 1 355.885 3.119 20 0 FGADMP C[NH2+]CCCC(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423810859 500404229 /nfs/dbraw/zinc/40/42/29/500404229.db2.gz NAGDANLXGOWQBE-AEFFLSMTSA-N 2 1 355.885 3.119 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423811576 500404439 /nfs/dbraw/zinc/40/44/39/500404439.db2.gz CBPIBRFYIOBZPL-NLWGTHIKSA-N 2 1 357.885 3.076 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423811576 500404440 /nfs/dbraw/zinc/40/44/40/500404440.db2.gz CBPIBRFYIOBZPL-NLWGTHIKSA-N 2 1 357.885 3.076 20 0 FGADMP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000431671969 500406417 /nfs/dbraw/zinc/40/64/17/500406417.db2.gz WKGBSLXPZAGAFK-FPOVZHCZSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431671968 500406612 /nfs/dbraw/zinc/40/66/12/500406612.db2.gz WKGBSLXPZAGAFK-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431673743 500406876 /nfs/dbraw/zinc/40/68/76/500406876.db2.gz PKRAHSJBTLURSH-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673743 500406880 /nfs/dbraw/zinc/40/68/80/500406880.db2.gz PKRAHSJBTLURSH-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673743 500406881 /nfs/dbraw/zinc/40/68/81/500406881.db2.gz PKRAHSJBTLURSH-NRSPTQNISA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423906267 500417745 /nfs/dbraw/zinc/41/77/45/500417745.db2.gz PWZDCBWWMQDEQC-SXLOBPIMSA-N 2 1 355.526 3.188 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423907634 500418287 /nfs/dbraw/zinc/41/82/87/500418287.db2.gz RONUYNURHYDODC-BQJUDKOJSA-N 2 1 355.526 3.017 20 0 FGADMP CC1CCC(O)(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000427675929 500419810 /nfs/dbraw/zinc/41/98/10/500419810.db2.gz BRBDEIJPHCCWMF-SGBLEOHJSA-N 2 1 352.563 3.139 20 0 FGADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C2CCC2)cc1 ZINC000427717697 500423894 /nfs/dbraw/zinc/42/38/94/500423894.db2.gz CWYKLKQYNFSYCU-QFIPXVFZSA-N 2 1 357.542 3.369 20 0 FGADMP Cc1cccc(Oc2ccc(NC(=O)C[NH+]3CCC(C[NH3+])CC3)cc2)c1 ZINC000420276129 500432031 /nfs/dbraw/zinc/43/20/31/500432031.db2.gz RBVGUKITXIFNRK-UHFFFAOYSA-N 2 1 353.466 3.397 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CC[NH2+]C(C)(C)C3)c2c1C ZINC000420275640 500432230 /nfs/dbraw/zinc/43/22/30/500432230.db2.gz LIDKLVIPGMHYNP-UHFFFAOYSA-N 2 1 359.543 3.092 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000431845529 500433190 /nfs/dbraw/zinc/43/31/90/500433190.db2.gz OVGRWIWGKYZVMO-UIFIKXQLSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000431845529 500433193 /nfs/dbraw/zinc/43/31/93/500433193.db2.gz OVGRWIWGKYZVMO-UIFIKXQLSA-N 2 1 359.558 3.259 20 0 FGADMP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000431845529 500433195 /nfs/dbraw/zinc/43/31/95/500433195.db2.gz OVGRWIWGKYZVMO-UIFIKXQLSA-N 2 1 359.558 3.259 20 0 FGADMP C[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000424003509 500433598 /nfs/dbraw/zinc/43/35/98/500433598.db2.gz RGXPLBMXJTYWKL-PGRDOPGGSA-N 2 1 365.521 3.376 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000420296762 500436153 /nfs/dbraw/zinc/43/61/53/500436153.db2.gz DTZDRWFBVBKCFO-PGRDOPGGSA-N 2 1 365.521 3.424 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 ZINC000420317654 500441029 /nfs/dbraw/zinc/44/10/29/500441029.db2.gz NPBXXBIWCZDQCS-LPHOPBHVSA-N 2 1 365.481 3.011 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420330969 500443131 /nfs/dbraw/zinc/44/31/31/500443131.db2.gz BFNSSTIAHRCJBB-LSDHHAIUSA-N 2 1 353.304 3.149 20 0 FGADMP CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420340157 500444865 /nfs/dbraw/zinc/44/48/65/500444865.db2.gz MSOOQJBYQJNIEX-NJYVYQBISA-N 2 1 357.542 3.212 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CC12CCOCC2 ZINC000420339902 500444982 /nfs/dbraw/zinc/44/49/82/500444982.db2.gz ZIBMYWNDWNVZGM-HXUWFJFHSA-N 2 1 354.494 3.296 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346475 500445336 /nfs/dbraw/zinc/44/53/36/500445336.db2.gz YJFQMIPRMANHSQ-VQTJNVASSA-N 2 1 357.542 3.135 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346941 500446171 /nfs/dbraw/zinc/44/61/71/500446171.db2.gz ZMPMSLODWYFDEN-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP CN(C(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)C(c1ccccc1)c1ccccc1 ZINC000420354397 500447048 /nfs/dbraw/zinc/44/70/48/500447048.db2.gz CUGATKASKOQMCY-HXUWFJFHSA-N 2 1 365.521 3.212 20 0 FGADMP C[C@@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420369057 500449228 /nfs/dbraw/zinc/44/92/28/500449228.db2.gz BIDFPKNSLWIAGI-NQIIRXRSSA-N 2 1 365.521 3.151 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420369057 500449232 /nfs/dbraw/zinc/44/92/32/500449232.db2.gz BIDFPKNSLWIAGI-NQIIRXRSSA-N 2 1 365.521 3.151 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000420377397 500451353 /nfs/dbraw/zinc/45/13/53/500451353.db2.gz KXKRZPDKBADDEK-IAGOWNOFSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404584 500455977 /nfs/dbraw/zinc/45/59/77/500455977.db2.gz MGEVZCBSKFNXJI-IAGYGMIVSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404584 500455980 /nfs/dbraw/zinc/45/59/80/500455980.db2.gz MGEVZCBSKFNXJI-IAGYGMIVSA-N 2 1 353.510 3.322 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420407824 500456792 /nfs/dbraw/zinc/45/67/92/500456792.db2.gz VMXVCKRPBPGXBY-WMLDXEAASA-N 2 1 353.304 3.292 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(C(F)(F)F)c1 ZINC000420406925 500456835 /nfs/dbraw/zinc/45/68/35/500456835.db2.gz UUOBUYUUUYFADX-YOEHRIQHSA-N 2 1 369.431 3.498 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncn1C(C)C ZINC000424178951 500464074 /nfs/dbraw/zinc/46/40/74/500464074.db2.gz XVUYSOXNJYORDF-TZIWHRDSSA-N 2 1 356.514 3.091 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cncn1C(C)C ZINC000424178951 500464076 /nfs/dbraw/zinc/46/40/76/500464076.db2.gz XVUYSOXNJYORDF-TZIWHRDSSA-N 2 1 356.514 3.091 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000428065476 500464221 /nfs/dbraw/zinc/46/42/21/500464221.db2.gz FNHBHPWABVPQBU-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275879 500479636 /nfs/dbraw/zinc/47/96/36/500479636.db2.gz CSUPEJJWPCZICK-OQEHDIDLSA-N 2 1 358.526 3.071 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3C[N@@H+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000424275879 500479638 /nfs/dbraw/zinc/47/96/38/500479638.db2.gz CSUPEJJWPCZICK-OQEHDIDLSA-N 2 1 358.526 3.071 20 0 FGADMP C[C@@H](N(C)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)C1(C)CC1 ZINC000428239844 500485298 /nfs/dbraw/zinc/48/52/98/500485298.db2.gz RLRPIGUUWYKWHR-OAHLLOKOSA-N 2 1 364.559 3.434 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368910 500492716 /nfs/dbraw/zinc/49/27/16/500492716.db2.gz ARTNNJFLTFTAKX-CQSZACIVSA-N 2 1 372.465 3.192 20 0 FGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1OCCc2ccccc21 ZINC000420899187 500525555 /nfs/dbraw/zinc/52/55/55/500525555.db2.gz FGKDIWIPQTYTAR-HSZRJFAPSA-N 2 1 366.505 3.265 20 0 FGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1OCCc2ccccc21 ZINC000420899187 500525556 /nfs/dbraw/zinc/52/55/56/500525556.db2.gz FGKDIWIPQTYTAR-HSZRJFAPSA-N 2 1 366.505 3.265 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1COc2ccccc21 ZINC000420912896 500528963 /nfs/dbraw/zinc/52/89/63/500528963.db2.gz AEYAOWADPKKBLP-DYESRHJHSA-N 2 1 352.478 3.173 20 0 FGADMP COc1cccc2c1CC[N@@H+](Cc1ccc(CN3CCOCC3)cc1)CC2 ZINC000420920169 500530687 /nfs/dbraw/zinc/53/06/87/500530687.db2.gz JGRYDDDLIWQLIV-UHFFFAOYSA-N 2 1 366.505 3.128 20 0 FGADMP COc1cccc2c1CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420920169 500530690 /nfs/dbraw/zinc/53/06/90/500530690.db2.gz JGRYDDDLIWQLIV-UHFFFAOYSA-N 2 1 366.505 3.128 20 0 FGADMP COc1cccc2c1CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420920169 500530692 /nfs/dbraw/zinc/53/06/92/500530692.db2.gz JGRYDDDLIWQLIV-UHFFFAOYSA-N 2 1 366.505 3.128 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420941604 500537015 /nfs/dbraw/zinc/53/70/15/500537015.db2.gz TVWYWTINUFOZKT-MZKRTTBSSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420941604 500537016 /nfs/dbraw/zinc/53/70/16/500537016.db2.gz TVWYWTINUFOZKT-MZKRTTBSSA-N 2 1 371.569 3.356 20 0 FGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420956370 500540545 /nfs/dbraw/zinc/54/05/45/500540545.db2.gz ZKVSWTJRAUSWBN-HXUWFJFHSA-N 2 1 354.498 3.196 20 0 FGADMP Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420956370 500540547 /nfs/dbraw/zinc/54/05/47/500540547.db2.gz ZKVSWTJRAUSWBN-HXUWFJFHSA-N 2 1 354.498 3.196 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NC[C@H](CC(C)C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000428690805 500544336 /nfs/dbraw/zinc/54/43/36/500544336.db2.gz LSJCOUKOOUOOAF-FPOVZHCZSA-N 2 1 374.573 3.489 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3cccc(OC)c3)CC2)CC1 ZINC000420986344 500548618 /nfs/dbraw/zinc/54/86/18/500548618.db2.gz XZMKZPAIUQJACB-UHFFFAOYSA-N 2 1 359.558 3.120 20 0 FGADMP CCOC(=O)c1csc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000432775661 500561482 /nfs/dbraw/zinc/56/14/82/500561482.db2.gz JQAJUFLADANARE-UHFFFAOYSA-N 2 1 374.510 3.063 20 0 FGADMP CCOC(=O)c1csc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000432775661 500561485 /nfs/dbraw/zinc/56/14/85/500561485.db2.gz JQAJUFLADANARE-UHFFFAOYSA-N 2 1 374.510 3.063 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OCc1ccncc1 ZINC000447539261 500620385 /nfs/dbraw/zinc/62/03/85/500620385.db2.gz GIQMCKBUVPQCOL-IHWFROFDSA-N 2 1 367.493 3.384 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OCc1ccncc1 ZINC000447539261 500620387 /nfs/dbraw/zinc/62/03/87/500620387.db2.gz GIQMCKBUVPQCOL-IHWFROFDSA-N 2 1 367.493 3.384 20 0 FGADMP CCCCc1nc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2[nH]1 ZINC000433114630 500629430 /nfs/dbraw/zinc/62/94/30/500629430.db2.gz GMBXQAPIOQUXLK-UHFFFAOYSA-N 2 1 357.502 3.047 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OCC(F)(F)F)cc1 ZINC000442865784 500636035 /nfs/dbraw/zinc/63/60/35/500636035.db2.gz GTTDUEBXQYCIRT-OAHLLOKOSA-N 2 1 373.463 3.304 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000442888368 500641377 /nfs/dbraw/zinc/64/13/77/500641377.db2.gz GGAHWQDRDBDRBD-SFHVURJKSA-N 2 1 352.526 3.425 20 0 FGADMP COc1ccc(C2CCC([NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000442888234 500641601 /nfs/dbraw/zinc/64/16/01/500641601.db2.gz FSWFXRPPAVAVOZ-UHFFFAOYSA-N 2 1 359.558 3.337 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC23CCC3)CC1 ZINC000433210241 500647526 /nfs/dbraw/zinc/64/75/26/500647526.db2.gz VAUUJAQPYIHJCU-UHFFFAOYSA-N 2 1 355.526 3.094 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000443059109 500671350 /nfs/dbraw/zinc/67/13/50/500671350.db2.gz MBCUGDSACWCJIX-QGZVFWFLSA-N 2 1 353.466 3.478 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)[NH+]2CCCC2)o1 ZINC000433608405 500720784 /nfs/dbraw/zinc/72/07/84/500720784.db2.gz KDIDVRRNSBTLKE-MOPGFXCFSA-N 2 1 374.529 3.041 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccco1 ZINC000448138086 500722099 /nfs/dbraw/zinc/72/20/99/500722099.db2.gz RHPMUUHPYOUMQQ-FUHWJXTLSA-N 2 1 364.534 3.082 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252167 500738861 /nfs/dbraw/zinc/73/88/61/500738861.db2.gz LZHVGDACBGMKDT-YQVWRLOYSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000570693693 506214096 /nfs/dbraw/zinc/21/40/96/506214096.db2.gz RJTADPDAZZTTJF-IIMDRIAPSA-N 2 1 372.557 3.091 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1sccc1C ZINC000438909483 500833847 /nfs/dbraw/zinc/83/38/47/500833847.db2.gz DESFMTGRTNOXPC-KURKYZTESA-N 2 1 363.571 3.035 20 0 FGADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(Cc2nc3cccnc3s2)C1 ZINC000434505108 500852808 /nfs/dbraw/zinc/85/28/08/500852808.db2.gz XRVHGWNMFABUIO-MRXNPFEDSA-N 2 1 353.495 3.040 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3ccccc3c(OC)c2)CC1 ZINC000449080862 500919198 /nfs/dbraw/zinc/91/91/98/500919198.db2.gz ZTTOMCMPHGYRMG-UHFFFAOYSA-N 2 1 355.526 3.356 20 0 FGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081209 500919674 /nfs/dbraw/zinc/91/96/74/500919674.db2.gz CPCUYRFQBCJNKA-MSOLQXFVSA-N 2 1 366.571 3.438 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000449079498 500919695 /nfs/dbraw/zinc/91/96/95/500919695.db2.gz OVQCJBPXVPAEBG-MRXNPFEDSA-N 2 1 355.448 3.099 20 0 FGADMP CCN(C)c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000435060237 500929058 /nfs/dbraw/zinc/92/90/58/500929058.db2.gz RXRODYGJBCOFKC-UHFFFAOYSA-N 2 1 353.514 3.450 20 0 FGADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168531 500939972 /nfs/dbraw/zinc/93/99/72/500939972.db2.gz DQSTXRZNDULIIK-LPHOPBHVSA-N 2 1 364.555 3.048 20 0 FGADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449168531 500939975 /nfs/dbraw/zinc/93/99/75/500939975.db2.gz DQSTXRZNDULIIK-LPHOPBHVSA-N 2 1 364.555 3.048 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439844140 500944877 /nfs/dbraw/zinc/94/48/77/500944877.db2.gz SVMLKKMCQBYXKN-UNMCSNQZSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439844140 500944879 /nfs/dbraw/zinc/94/48/79/500944879.db2.gz SVMLKKMCQBYXKN-UNMCSNQZSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439844140 500944884 /nfs/dbraw/zinc/94/48/84/500944884.db2.gz SVMLKKMCQBYXKN-UNMCSNQZSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439905071 500953187 /nfs/dbraw/zinc/95/31/87/500953187.db2.gz SLVXOIAWIYZJFC-NRFANRHFSA-N 2 1 355.526 3.306 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)c2)cc1 ZINC000435379803 500963485 /nfs/dbraw/zinc/96/34/85/500963485.db2.gz NNTYZXGIDJXNMW-YYWHXJBOSA-N 2 1 365.477 3.117 20 0 FGADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435380898 500964144 /nfs/dbraw/zinc/96/41/44/500964144.db2.gz UHPLKIYONWCBNE-PWIZWCRZSA-N 2 1 358.917 3.371 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000435386721 500965382 /nfs/dbraw/zinc/96/53/82/500965382.db2.gz VJKODEARUBKZSO-IRXDYDNUSA-N 2 1 355.482 3.228 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000435386721 500965385 /nfs/dbraw/zinc/96/53/85/500965385.db2.gz VJKODEARUBKZSO-IRXDYDNUSA-N 2 1 355.482 3.228 20 0 FGADMP Cn1nnc2cc(C[N@@H+](Cc3ccsc3)[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000435425568 500972572 /nfs/dbraw/zinc/97/25/72/500972572.db2.gz DHWSKUQAPJXMEY-IBGZPJMESA-N 2 1 367.522 3.174 20 0 FGADMP CC[C@@H]1C[C@@H](C[N@@H+](Cc2nccn2CC)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000435437002 500977034 /nfs/dbraw/zinc/97/70/34/500977034.db2.gz IBZLHDAQZVIZSS-IPMKNSEASA-N 2 1 360.546 3.052 20 0 FGADMP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000440197892 500986297 /nfs/dbraw/zinc/98/62/97/500986297.db2.gz WVKGLCVVNPEBAF-ADEKHHIBSA-N 2 1 364.578 3.011 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000440323900 500996459 /nfs/dbraw/zinc/99/64/59/500996459.db2.gz DXAPELDWOVHGJM-QFBILLFUSA-N 2 1 374.554 3.432 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(-c3ccncc3)s2)[C@@H](C)C1 ZINC000440323900 500996461 /nfs/dbraw/zinc/99/64/61/500996461.db2.gz DXAPELDWOVHGJM-QFBILLFUSA-N 2 1 374.554 3.432 20 0 FGADMP Cn1c(CC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000435615333 501002581 /nfs/dbraw/zinc/00/25/81/501002581.db2.gz HJBCEKKRGKYANZ-IBGZPJMESA-N 2 1 363.509 3.155 20 0 FGADMP Cn1c(CC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000435615333 501002583 /nfs/dbraw/zinc/00/25/83/501002583.db2.gz HJBCEKKRGKYANZ-IBGZPJMESA-N 2 1 363.509 3.155 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000446136226 501080148 /nfs/dbraw/zinc/08/01/48/501080148.db2.gz FCOKAZLPXCGMCT-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@@H+](C)CCC2CC2)[NH+]2CCCCC2)cc1 ZINC000441220583 501104859 /nfs/dbraw/zinc/10/48/59/501104859.db2.gz CPBVZFYGJHRIQT-NRFANRHFSA-N 2 1 373.541 3.070 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000441287922 501114778 /nfs/dbraw/zinc/11/47/78/501114778.db2.gz RYQJEZQMTFEEND-QZTJIDSGSA-N 2 1 362.562 3.100 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2OCc2ccccc2)CC1(C)C ZINC000441346956 501124741 /nfs/dbraw/zinc/12/47/41/501124741.db2.gz BSYQEFJWJYMZEB-UHFFFAOYSA-N 2 1 367.537 3.381 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400244 501133197 /nfs/dbraw/zinc/13/31/97/501133197.db2.gz DBQGRJQUXBWSCI-UZLBHIALSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000441400244 501133201 /nfs/dbraw/zinc/13/32/01/501133201.db2.gz DBQGRJQUXBWSCI-UZLBHIALSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000441400244 501133205 /nfs/dbraw/zinc/13/32/05/501133205.db2.gz DBQGRJQUXBWSCI-UZLBHIALSA-N 2 1 359.489 3.411 20 0 FGADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000441400244 501133208 /nfs/dbraw/zinc/13/32/08/501133208.db2.gz DBQGRJQUXBWSCI-UZLBHIALSA-N 2 1 359.489 3.411 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C1CCC1 ZINC000450062844 501168863 /nfs/dbraw/zinc/16/88/63/501168863.db2.gz VXRHCOPWRZBCDF-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP Fc1ccc(C[NH+]2CCC[C@]23CCOC3)cc1C[N@H+]1CCC[C@]12CCOC2 ZINC000450947953 501234355 /nfs/dbraw/zinc/23/43/55/501234355.db2.gz ZHGJSLBJOMGHCI-FGZHOGPDSA-N 2 1 374.500 3.336 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc1 ZINC000451056029 501242401 /nfs/dbraw/zinc/24/24/01/501242401.db2.gz NLCJWGYFVOZTTD-OAQYLSRUSA-N 2 1 357.542 3.204 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@H](C)[C@H](CC(F)(F)F)C[C@@H]2C)CC1 ZINC000451148379 501248268 /nfs/dbraw/zinc/24/82/68/501248268.db2.gz QCLOEOPNJWMZCJ-ZNMIVQPWSA-N 2 1 363.468 3.027 20 0 FGADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)c1ccncc1 ZINC000453057402 501259932 /nfs/dbraw/zinc/25/99/32/501259932.db2.gz DYWHWEGMINAXHT-QFIPXVFZSA-N 2 1 352.526 3.460 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)CC1 ZINC000453070148 501262589 /nfs/dbraw/zinc/26/25/89/501262589.db2.gz MODGQLSAEYGMBJ-VQTJNVASSA-N 2 1 366.933 3.131 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000453072544 501263344 /nfs/dbraw/zinc/26/33/44/501263344.db2.gz DGUVDHAKOLSEEE-IBGZPJMESA-N 2 1 353.510 3.415 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453083447 501265501 /nfs/dbraw/zinc/26/55/01/501265501.db2.gz DEKPHEYOURLKKF-KRWDZBQOSA-N 2 1 356.514 3.239 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453087035 501265894 /nfs/dbraw/zinc/26/58/94/501265894.db2.gz VHNXDPRYCARPBN-KCLUMXDGSA-N 2 1 357.542 3.324 20 0 FGADMP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453098665 501268378 /nfs/dbraw/zinc/26/83/78/501268378.db2.gz VOAPIFZKWREIID-NJYVYQBISA-N 2 1 355.526 3.032 20 0 FGADMP CC[C@@H](C)[NH+]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000457641775 501274788 /nfs/dbraw/zinc/27/47/88/501274788.db2.gz DOYGYIDJUYUWCQ-GOSISDBHSA-N 2 1 360.546 3.153 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453217565 501293274 /nfs/dbraw/zinc/29/32/74/501293274.db2.gz PGCADEBVTFQASM-ZDQHKECQSA-N 2 1 360.567 3.320 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453217565 501293277 /nfs/dbraw/zinc/29/32/77/501293277.db2.gz PGCADEBVTFQASM-ZDQHKECQSA-N 2 1 360.567 3.320 20 0 FGADMP CCc1ccccc1CC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451527618 501313623 /nfs/dbraw/zinc/31/36/23/501313623.db2.gz KKBNMJBBFDVXJZ-OAQYLSRUSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527618 501313625 /nfs/dbraw/zinc/31/36/25/501313625.db2.gz KKBNMJBBFDVXJZ-OAQYLSRUSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451527618 501313626 /nfs/dbraw/zinc/31/36/26/501313626.db2.gz KKBNMJBBFDVXJZ-OAQYLSRUSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527618 501313628 /nfs/dbraw/zinc/31/36/28/501313628.db2.gz KKBNMJBBFDVXJZ-OAQYLSRUSA-N 2 1 371.569 3.058 20 0 FGADMP CCc1ccccc1CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451527618 501313630 /nfs/dbraw/zinc/31/36/30/501313630.db2.gz KKBNMJBBFDVXJZ-OAQYLSRUSA-N 2 1 371.569 3.058 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533222 501315190 /nfs/dbraw/zinc/31/51/90/501315190.db2.gz VRBOMMAULMNOTG-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533222 501315193 /nfs/dbraw/zinc/31/51/93/501315193.db2.gz VRBOMMAULMNOTG-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533222 501315197 /nfs/dbraw/zinc/31/51/97/501315197.db2.gz VRBOMMAULMNOTG-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533222 501315199 /nfs/dbraw/zinc/31/51/99/501315199.db2.gz VRBOMMAULMNOTG-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000451533222 501315202 /nfs/dbraw/zinc/31/52/02/501315202.db2.gz VRBOMMAULMNOTG-RTBURBONSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540900 501317251 /nfs/dbraw/zinc/31/72/51/501317251.db2.gz XVTSFAPSTTZVGI-IEBWSBKVSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540900 501317254 /nfs/dbraw/zinc/31/72/54/501317254.db2.gz XVTSFAPSTTZVGI-IEBWSBKVSA-N 2 1 361.505 3.153 20 0 FGADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000451540900 501317257 /nfs/dbraw/zinc/31/72/57/501317257.db2.gz XVTSFAPSTTZVGI-IEBWSBKVSA-N 2 1 361.505 3.153 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)NCCc1ccccc1 ZINC000453442245 501333111 /nfs/dbraw/zinc/33/31/11/501333111.db2.gz NHYNBYWAXANDRJ-GOSISDBHSA-N 2 1 357.542 3.121 20 0 FGADMP CC(C)[C@H](CO)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000451599375 501333956 /nfs/dbraw/zinc/33/39/56/501333956.db2.gz QHYRZGWXYVDHRV-FSSWDIPSSA-N 2 1 362.558 3.156 20 0 FGADMP CC(C)[C@H](CO)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000451599375 501333959 /nfs/dbraw/zinc/33/39/59/501333959.db2.gz QHYRZGWXYVDHRV-FSSWDIPSSA-N 2 1 362.558 3.156 20 0 FGADMP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1cc(C)c2[nH+]ccn2c1)c1ccco1 ZINC000455611961 501347103 /nfs/dbraw/zinc/34/71/03/501347103.db2.gz FWKRFBFGGSVXSI-GDBMZVCRSA-N 2 1 355.442 3.487 20 0 FGADMP C[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000458172536 501384273 /nfs/dbraw/zinc/38/42/73/501384273.db2.gz QUEXZQNDVCRSLG-KNQAVFIVSA-N 2 1 371.569 3.178 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1scnc1C(C)C ZINC000455845235 501399014 /nfs/dbraw/zinc/39/90/14/501399014.db2.gz LSRJBFDOTOVXSB-HNNXBMFYSA-N 2 1 367.563 3.146 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522833 501465781 /nfs/dbraw/zinc/46/57/81/501465781.db2.gz YKYZSWDDSBZITK-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000458535126 501468192 /nfs/dbraw/zinc/46/81/92/501468192.db2.gz PMBDCQMKXLJXOL-LPHOPBHVSA-N 2 1 369.513 3.367 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)CC1 ZINC000454190244 501479039 /nfs/dbraw/zinc/47/90/39/501479039.db2.gz IJZCSLLSCOBNFC-LJQANCHMSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000458689420 501508802 /nfs/dbraw/zinc/50/88/02/501508802.db2.gz SSDAQFLKZRALHV-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367189 501524683 /nfs/dbraw/zinc/52/46/83/501524683.db2.gz NSAWSBYMKDYSNU-XLIONFOSSA-N 2 1 370.541 3.138 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1)[NH+](C)C ZINC000458763188 501525915 /nfs/dbraw/zinc/52/59/15/501525915.db2.gz IIQOAELESJXOOA-MMOPVJDHSA-N 2 1 372.557 3.112 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1)C1CC1 ZINC000456979734 501629233 /nfs/dbraw/zinc/62/92/33/501629233.db2.gz CABGKORUEOMJKF-JOCHJYFZSA-N 2 1 363.505 3.458 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)cc1)C1CC1 ZINC000456979734 501629234 /nfs/dbraw/zinc/62/92/34/501629234.db2.gz CABGKORUEOMJKF-JOCHJYFZSA-N 2 1 363.505 3.458 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459317986 501629619 /nfs/dbraw/zinc/62/96/19/501629619.db2.gz QSXRZILWSSAUBP-IBGZPJMESA-N 2 1 352.567 3.016 20 0 FGADMP CN(C(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000457092942 501648993 /nfs/dbraw/zinc/64/89/93/501648993.db2.gz XSAVZPLKSUDBOT-KRWDZBQOSA-N 2 1 371.447 3.165 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1ccc(Br)cc1 ZINC000459425154 501651778 /nfs/dbraw/zinc/65/17/78/501651778.db2.gz RLOKEYCHBIHXIQ-CYBMUJFWSA-N 2 1 353.304 3.433 20 0 FGADMP C[N@@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H]1CC[NH+](C)C1 ZINC000459498498 501664476 /nfs/dbraw/zinc/66/44/76/501664476.db2.gz BADJNXLHDAJHOI-QGZVFWFLSA-N 2 1 353.514 3.444 20 0 FGADMP C[N@H+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H]1CC[NH+](C)C1 ZINC000459498498 501664477 /nfs/dbraw/zinc/66/44/77/501664477.db2.gz BADJNXLHDAJHOI-QGZVFWFLSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H]1CC[N@H+](C)C1 ZINC000459498498 501664478 /nfs/dbraw/zinc/66/44/78/501664478.db2.gz BADJNXLHDAJHOI-QGZVFWFLSA-N 2 1 353.514 3.444 20 0 FGADMP C[NH+](Cc1cn(C2CCCC2)nc1-c1ccccn1)C[C@@H]1CC[N@@H+](C)C1 ZINC000459498498 501664479 /nfs/dbraw/zinc/66/44/79/501664479.db2.gz BADJNXLHDAJHOI-QGZVFWFLSA-N 2 1 353.514 3.444 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000459560676 501677110 /nfs/dbraw/zinc/67/71/10/501677110.db2.gz NBSQOIMSZIALCA-YDWJEQILSA-N 2 1 372.553 3.380 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000459739382 501706667 /nfs/dbraw/zinc/70/66/67/501706667.db2.gz SLPKBDPBHNCRQQ-CYBMUJFWSA-N 2 1 368.312 3.396 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000459758714 501710046 /nfs/dbraw/zinc/71/00/46/501710046.db2.gz SNHPKWQWCWTCEZ-BVYCBKJFSA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000459758714 501710049 /nfs/dbraw/zinc/71/00/49/501710049.db2.gz SNHPKWQWCWTCEZ-BVYCBKJFSA-N 2 1 368.521 3.414 20 0 FGADMP C[C@H]([NH2+]C1(C2CCC2)CCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459772483 501712263 /nfs/dbraw/zinc/71/22/63/501712263.db2.gz OHUUUXKBAIYPIX-FXAWDEMLSA-N 2 1 355.526 3.078 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000460286510 501780982 /nfs/dbraw/zinc/78/09/82/501780982.db2.gz FRKIGLZBNVAAOH-KDURUIRLSA-N 2 1 351.579 3.373 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858058 501812343 /nfs/dbraw/zinc/81/23/43/501812343.db2.gz KJSRDBHQTWGQHU-CBQOVEMMSA-N 2 1 363.505 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2)C1 ZINC000477858058 501812345 /nfs/dbraw/zinc/81/23/45/501812345.db2.gz KJSRDBHQTWGQHU-CBQOVEMMSA-N 2 1 363.505 3.292 20 0 FGADMP COc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(OC)c1OC ZINC000477920877 501828979 /nfs/dbraw/zinc/82/89/79/501828979.db2.gz GVFRSLOZCFCUHK-HNNXBMFYSA-N 2 1 350.503 3.485 20 0 FGADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000471001568 501888631 /nfs/dbraw/zinc/88/86/31/501888631.db2.gz QJPHQFWCCAJYDD-BGYRXZFFSA-N 2 1 351.494 3.271 20 0 FGADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1C ZINC000471001568 501888634 /nfs/dbraw/zinc/88/86/34/501888634.db2.gz QJPHQFWCCAJYDD-BGYRXZFFSA-N 2 1 351.494 3.271 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000478148415 501893967 /nfs/dbraw/zinc/89/39/67/501893967.db2.gz YPXNLFJMOPRJCP-IHPCNDPISA-N 2 1 362.562 3.048 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671591 501896416 /nfs/dbraw/zinc/89/64/16/501896416.db2.gz JBQPONCWVPFCHU-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671591 501896421 /nfs/dbraw/zinc/89/64/21/501896421.db2.gz JBQPONCWVPFCHU-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC000485671591 501896425 /nfs/dbraw/zinc/89/64/25/501896425.db2.gz JBQPONCWVPFCHU-GDBMZVCRSA-N 2 1 367.921 3.482 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000468014050 501929678 /nfs/dbraw/zinc/92/96/78/501929678.db2.gz NIJTXJJOMZCMOR-WSTZPKSXSA-N 2 1 373.541 3.211 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](c2cccnc2)C2CCC2)C1 ZINC000481995839 501939646 /nfs/dbraw/zinc/93/96/46/501939646.db2.gz XOOBCOOFZMMNDA-YADHBBJMSA-N 2 1 351.494 3.279 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000468066781 501945299 /nfs/dbraw/zinc/94/52/99/501945299.db2.gz YDQXNELUVFBGOR-HDICACEKSA-N 2 1 370.541 3.030 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768110 501946686 /nfs/dbraw/zinc/94/66/86/501946686.db2.gz PRBHXOKGXCBTGB-PXNSSMCTSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474768110 501946692 /nfs/dbraw/zinc/94/66/92/501946692.db2.gz PRBHXOKGXCBTGB-PXNSSMCTSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474768110 501946696 /nfs/dbraw/zinc/94/66/96/501946696.db2.gz PRBHXOKGXCBTGB-PXNSSMCTSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474768110 501946697 /nfs/dbraw/zinc/94/66/97/501946697.db2.gz PRBHXOKGXCBTGB-PXNSSMCTSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824626 501964230 /nfs/dbraw/zinc/96/42/30/501964230.db2.gz HTCQOGOIGZHJPC-FUHIMQAGSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824626 501964236 /nfs/dbraw/zinc/96/42/36/501964236.db2.gz HTCQOGOIGZHJPC-FUHIMQAGSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474824626 501964240 /nfs/dbraw/zinc/96/42/40/501964240.db2.gz HTCQOGOIGZHJPC-FUHIMQAGSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474824626 501964245 /nfs/dbraw/zinc/96/42/45/501964245.db2.gz HTCQOGOIGZHJPC-FUHIMQAGSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468138101 501969210 /nfs/dbraw/zinc/96/92/10/501969210.db2.gz KAVUFYQIURBQIB-QGZVFWFLSA-N 2 1 352.482 3.241 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113102 501978566 /nfs/dbraw/zinc/97/85/66/501978566.db2.gz XISLZEMQYICMIK-DENIHFKCSA-N 2 1 365.521 3.193 20 0 FGADMP CC(C)[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468510975 502086871 /nfs/dbraw/zinc/08/68/71/502086871.db2.gz JSMYJBXIZBMTKS-LEWJYISDSA-N 2 1 373.541 3.262 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792998 502098382 /nfs/dbraw/zinc/09/83/82/502098382.db2.gz ZKRCJINVUGWDSJ-QUCCMNQESA-N 2 1 362.558 3.306 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792998 502098386 /nfs/dbraw/zinc/09/83/86/502098386.db2.gz ZKRCJINVUGWDSJ-QUCCMNQESA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792998 502098392 /nfs/dbraw/zinc/09/83/92/502098392.db2.gz ZKRCJINVUGWDSJ-QUCCMNQESA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792998 502098397 /nfs/dbraw/zinc/09/83/97/502098397.db2.gz ZKRCJINVUGWDSJ-QUCCMNQESA-N 2 1 362.558 3.306 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cc2ccccc2o1 ZINC000482526062 502100220 /nfs/dbraw/zinc/10/02/20/502100220.db2.gz SMULXXFKAZXGSZ-IEBWSBKVSA-N 2 1 371.525 3.411 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000482531795 502102480 /nfs/dbraw/zinc/10/24/80/502102480.db2.gz JOYXJOAPJGPURF-LPHOPBHVSA-N 2 1 352.494 3.103 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000482541855 502106495 /nfs/dbraw/zinc/10/64/95/502106495.db2.gz HHTAAFATVPADDF-MLGOLLRUSA-N 2 1 370.324 3.158 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)[NH+]1CCCCCC1 ZINC000461445752 502116809 /nfs/dbraw/zinc/11/68/09/502116809.db2.gz FQHPGMZJXSCTET-HJNYFJLDSA-N 2 1 369.553 3.231 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C3CC3)C2=O)C1 ZINC000482680718 502150340 /nfs/dbraw/zinc/15/03/40/502150340.db2.gz ZXPWKSVFZDZZHL-FVJLSDCUSA-N 2 1 355.526 3.017 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCN(C3CC3)C2=O)C1 ZINC000482680719 502150444 /nfs/dbraw/zinc/15/04/44/502150444.db2.gz ZXPWKSVFZDZZHL-LLGFUMIMSA-N 2 1 355.526 3.017 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC[N@H+]1C ZINC000486512528 502177177 /nfs/dbraw/zinc/17/71/77/502177177.db2.gz ADMREMYACLVTMX-WIYYLYMNSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC[N@H+]1C ZINC000486512526 502177369 /nfs/dbraw/zinc/17/73/69/502177369.db2.gz ADMREMYACLVTMX-NQIIRXRSSA-N 2 1 372.557 3.194 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000461795261 502204398 /nfs/dbraw/zinc/20/43/98/502204398.db2.gz CNAIMRXZBBCSDH-HXUWFJFHSA-N 2 1 373.541 3.213 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)cc1 ZINC000482886044 502207108 /nfs/dbraw/zinc/20/71/08/502207108.db2.gz IGFWEWCGHSJLFY-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP CC[NH+](CC)CCn1ccc2cc(NC(=O)C[N@@H+](CC)C3CC3)ccc21 ZINC000486667022 502224952 /nfs/dbraw/zinc/22/49/52/502224952.db2.gz WAYHDHGZKMMNNP-UHFFFAOYSA-N 2 1 356.514 3.406 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000472093115 502228522 /nfs/dbraw/zinc/22/85/22/502228522.db2.gz GTRPXUJCHBNLSW-LJQANCHMSA-N 2 1 374.573 3.197 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000472112310 502235923 /nfs/dbraw/zinc/23/59/23/502235923.db2.gz GSOIZLXGKDQBAH-LJQANCHMSA-N 2 1 352.567 3.158 20 0 FGADMP CC[C@H](C[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O)[NH+]1CCCC1 ZINC000472126594 502241387 /nfs/dbraw/zinc/24/13/87/502241387.db2.gz RPFCRNLNUIYIRD-QZTJIDSGSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000472129379 502242409 /nfs/dbraw/zinc/24/24/09/502242409.db2.gz BCTCQVRABMIQLJ-SQNIBIBYSA-N 2 1 369.509 3.058 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479412568 502252182 /nfs/dbraw/zinc/25/21/82/502252182.db2.gz JAPJIKMFIMEGEC-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163675 502254061 /nfs/dbraw/zinc/25/40/61/502254061.db2.gz ULMUYWFDUCMEKR-FCHUYYIVSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163675 502254067 /nfs/dbraw/zinc/25/40/67/502254067.db2.gz ULMUYWFDUCMEKR-FCHUYYIVSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163675 502254086 /nfs/dbraw/zinc/25/40/86/502254086.db2.gz ULMUYWFDUCMEKR-FCHUYYIVSA-N 2 1 360.542 3.151 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435655 502262271 /nfs/dbraw/zinc/26/22/71/502262271.db2.gz BPUOMAHUPFSBMW-FPOVZHCZSA-N 2 1 374.573 3.065 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000462010636 502273341 /nfs/dbraw/zinc/27/33/41/502273341.db2.gz OTYOYQXVAYLALD-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000462010636 502273345 /nfs/dbraw/zinc/27/33/45/502273345.db2.gz OTYOYQXVAYLALD-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000462010636 502273349 /nfs/dbraw/zinc/27/33/49/502273349.db2.gz OTYOYQXVAYLALD-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462016569 502275946 /nfs/dbraw/zinc/27/59/46/502275946.db2.gz RKNIZDIFIGXRKI-ZVDOUQERSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462016569 502275950 /nfs/dbraw/zinc/27/59/50/502275950.db2.gz RKNIZDIFIGXRKI-ZVDOUQERSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462016569 502275955 /nfs/dbraw/zinc/27/59/55/502275955.db2.gz RKNIZDIFIGXRKI-ZVDOUQERSA-N 2 1 374.573 3.410 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259594 502288037 /nfs/dbraw/zinc/28/80/37/502288037.db2.gz MHBUEPRCDJAODF-HUUCEWRRSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259594 502288043 /nfs/dbraw/zinc/28/80/43/502288043.db2.gz MHBUEPRCDJAODF-HUUCEWRRSA-N 2 1 364.515 3.292 20 0 FGADMP C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000479537778 502289814 /nfs/dbraw/zinc/28/98/14/502289814.db2.gz AMNGZBVMGSQJRM-QBKZBJQZSA-N 2 1 357.542 3.055 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000472267087 502291286 /nfs/dbraw/zinc/29/12/86/502291286.db2.gz ZLVDUMGIMKDYBO-HXUWFJFHSA-N 2 1 373.497 3.283 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3ccc(OC)cc3)n2)C1 ZINC000472267087 502291289 /nfs/dbraw/zinc/29/12/89/502291289.db2.gz ZLVDUMGIMKDYBO-HXUWFJFHSA-N 2 1 373.497 3.283 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465532772 502292452 /nfs/dbraw/zinc/29/24/52/502292452.db2.gz GYGLQQWNSGKHDT-VQTJNVASSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282507 502298070 /nfs/dbraw/zinc/29/80/70/502298070.db2.gz XMTOVJSISCLOEC-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cc(C)ccc2C)C1 ZINC000472282507 502298076 /nfs/dbraw/zinc/29/80/76/502298076.db2.gz XMTOVJSISCLOEC-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000472282926 502298280 /nfs/dbraw/zinc/29/82/80/502298280.db2.gz WUFLEIHHKLXAAR-IBGZPJMESA-N 2 1 369.509 3.211 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000472282926 502298283 /nfs/dbraw/zinc/29/82/83/502298283.db2.gz WUFLEIHHKLXAAR-IBGZPJMESA-N 2 1 369.509 3.211 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000465566884 502309548 /nfs/dbraw/zinc/30/95/48/502309548.db2.gz GQVOHCUDIMCSFJ-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP COCCN1CCC([NH2+]Cc2cc(Oc3ccc(F)cc3)ccn2)CC1 ZINC000462114866 502311734 /nfs/dbraw/zinc/31/17/34/502311734.db2.gz YMJIPJRTTYWILE-UHFFFAOYSA-N 2 1 359.445 3.213 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000465683793 502346024 /nfs/dbraw/zinc/34/60/24/502346024.db2.gz ABRXSLVJTFSQBZ-JTJHWIPRSA-N 2 1 364.578 3.154 20 0 FGADMP CO[C@H](CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)(F)F ZINC000469321212 502375103 /nfs/dbraw/zinc/37/51/03/502375103.db2.gz HDHZWBJAEWDUNE-BSDSXHPESA-N 2 1 356.432 3.454 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000465767554 502377407 /nfs/dbraw/zinc/37/74/07/502377407.db2.gz CAQCOZPQEZPJCQ-XYJFISCASA-N 2 1 366.575 3.161 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465767551 502377760 /nfs/dbraw/zinc/37/77/60/502377760.db2.gz CAQCOZPQEZPJCQ-BQFCYCMXSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000465769584 502378467 /nfs/dbraw/zinc/37/84/67/502378467.db2.gz HNXCNSCAESQKIH-RXVVDRJESA-N 2 1 372.557 3.345 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000465768593 502378530 /nfs/dbraw/zinc/37/85/30/502378530.db2.gz CQMQSEXHWLGAMI-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[N@H+]1C ZINC000465817614 502393838 /nfs/dbraw/zinc/39/38/38/502393838.db2.gz SZKRXQWEBLCJSP-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)CC1 ZINC000469421105 502410513 /nfs/dbraw/zinc/41/05/13/502410513.db2.gz YLSBVKHNAGXPDB-OAQYLSRUSA-N 2 1 374.573 3.317 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000487408314 502436370 /nfs/dbraw/zinc/43/63/70/502436370.db2.gz BUBHHSLKUHVXBH-AQNXPRMDSA-N 2 1 361.505 3.169 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000487408314 502436372 /nfs/dbraw/zinc/43/63/72/502436372.db2.gz BUBHHSLKUHVXBH-AQNXPRMDSA-N 2 1 361.505 3.169 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000483676108 502458732 /nfs/dbraw/zinc/45/87/32/502458732.db2.gz FFQIXFAWZZLQEK-RTBURBONSA-N 2 1 352.567 3.013 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccc(C(F)F)n1 ZINC000480069376 502463581 /nfs/dbraw/zinc/46/35/81/502463581.db2.gz FUXVTTGFOMFBNY-UHFFFAOYSA-N 2 1 367.488 3.047 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1)C(C)C ZINC000469564907 502464550 /nfs/dbraw/zinc/46/45/50/502464550.db2.gz GHFAQXFOJXWXEE-UHFFFAOYSA-N 2 1 354.498 3.462 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCNc2cccc(C)[nH+]2)cc1)C(C)C ZINC000469564907 502464557 /nfs/dbraw/zinc/46/45/57/502464557.db2.gz GHFAQXFOJXWXEE-UHFFFAOYSA-N 2 1 354.498 3.462 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C[C@@H]1C ZINC000483712172 502471956 /nfs/dbraw/zinc/47/19/56/502471956.db2.gz MFDRSXJFFRRHHC-YTQUADARSA-N 2 1 352.567 3.011 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C ZINC000483714548 502472040 /nfs/dbraw/zinc/47/20/40/502472040.db2.gz OQGRYDIHUPBFNQ-QZTJIDSGSA-N 2 1 352.567 3.155 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462534753 502478155 /nfs/dbraw/zinc/47/81/55/502478155.db2.gz MJCBMKMDAFAHFE-MOPGFXCFSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccc2[nH]c(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1C ZINC000473131352 502524003 /nfs/dbraw/zinc/52/40/03/502524003.db2.gz GLXRYGVDRFWZTO-VGSWGCGISA-N 2 1 354.542 3.243 20 0 FGADMP Cc1ccc2[nH]c(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1C ZINC000473131352 502524009 /nfs/dbraw/zinc/52/40/09/502524009.db2.gz GLXRYGVDRFWZTO-VGSWGCGISA-N 2 1 354.542 3.243 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000469741724 502527863 /nfs/dbraw/zinc/52/78/63/502527863.db2.gz NNQBHTBIMUKMLU-INIZCTEOSA-N 2 1 357.479 3.285 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462740456 502554767 /nfs/dbraw/zinc/55/47/67/502554767.db2.gz BEVZWIKMWATZDC-OAQYLSRUSA-N 2 1 374.573 3.270 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462748965 502557348 /nfs/dbraw/zinc/55/73/48/502557348.db2.gz GLKHVJHGBXRDES-NRFANRHFSA-N 2 1 372.557 3.026 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H](CO)CC3CCCC3)sc2C1 ZINC000466410324 502563198 /nfs/dbraw/zinc/56/31/98/502563198.db2.gz QBSNZYATYZVTNG-MRXNPFEDSA-N 2 1 351.560 3.188 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H](CO)CC3CCCC3)sc2C1 ZINC000466410324 502563203 /nfs/dbraw/zinc/56/32/03/502563203.db2.gz QBSNZYATYZVTNG-MRXNPFEDSA-N 2 1 351.560 3.188 20 0 FGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469865752 502574753 /nfs/dbraw/zinc/57/47/53/502574753.db2.gz YZCIZYNBHKKHID-QFBILLFUSA-N 2 1 363.933 3.037 20 0 FGADMP CCOc1c(Cl)cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1OC ZINC000469873716 502578356 /nfs/dbraw/zinc/57/83/56/502578356.db2.gz SCWVDHBDBISHOD-UHFFFAOYSA-N 2 1 356.894 3.077 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000484146631 502583122 /nfs/dbraw/zinc/58/31/22/502583122.db2.gz QLMDDXXTIGJFQI-HVETUWLQSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000484146631 502583123 /nfs/dbraw/zinc/58/31/23/502583123.db2.gz QLMDDXXTIGJFQI-HVETUWLQSA-N 2 1 354.469 3.286 20 0 FGADMP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462810063 502584471 /nfs/dbraw/zinc/58/44/71/502584471.db2.gz SWJNANZGJQRUQO-IEBWSBKVSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462810063 502584476 /nfs/dbraw/zinc/58/44/76/502584476.db2.gz SWJNANZGJQRUQO-IEBWSBKVSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814600 502585158 /nfs/dbraw/zinc/58/51/58/502585158.db2.gz VHOZJGBWKLPKCT-FXAWDEMLSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814600 502585162 /nfs/dbraw/zinc/58/51/62/502585162.db2.gz VHOZJGBWKLPKCT-FXAWDEMLSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814602 502585206 /nfs/dbraw/zinc/58/52/06/502585206.db2.gz VHOZJGBWKLPKCT-XLIONFOSSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000462814602 502585211 /nfs/dbraw/zinc/58/52/11/502585211.db2.gz VHOZJGBWKLPKCT-XLIONFOSSA-N 2 1 352.526 3.299 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1)c1ccccc1 ZINC000484317449 502623059 /nfs/dbraw/zinc/62/30/59/502623059.db2.gz WKQRQWXVUMPRBZ-NRFANRHFSA-N 2 1 366.509 3.122 20 0 FGADMP CC[NH2+]CC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000470002481 502626678 /nfs/dbraw/zinc/62/66/78/502626678.db2.gz JOSXTZWVQZMGRF-UHFFFAOYSA-N 2 1 369.303 3.042 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000488265638 502672904 /nfs/dbraw/zinc/67/29/04/502672904.db2.gz GXLMDDQFMBCOMH-JOCHJYFZSA-N 2 1 371.569 3.350 20 0 FGADMP C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805313 502676568 /nfs/dbraw/zinc/67/65/68/502676568.db2.gz XVFQUDDTBZMXHC-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805313 502676575 /nfs/dbraw/zinc/67/65/75/502676575.db2.gz XVFQUDDTBZMXHC-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)Cc1ccccc1 ZINC000480805313 502676579 /nfs/dbraw/zinc/67/65/79/502676579.db2.gz XVFQUDDTBZMXHC-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463069121 502681782 /nfs/dbraw/zinc/68/17/82/502681782.db2.gz NVKJQGXAGITBQY-HLAWJBBLSA-N 2 1 363.505 3.435 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463069121 502681790 /nfs/dbraw/zinc/68/17/90/502681790.db2.gz NVKJQGXAGITBQY-HLAWJBBLSA-N 2 1 363.505 3.435 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3COc4ccccc4O3)CC2)cc1 ZINC000463141883 502706131 /nfs/dbraw/zinc/70/61/31/502706131.db2.gz OPIHRQYCPBZBHM-HXUWFJFHSA-N 2 1 370.468 3.262 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CS[C@H](C(C)C)C3)cc2)CC1 ZINC000488418888 502709111 /nfs/dbraw/zinc/70/91/11/502709111.db2.gz TUVJPVPKVPBHRZ-SFTDATJTSA-N 2 1 361.599 3.444 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488416304 502709667 /nfs/dbraw/zinc/70/96/67/502709667.db2.gz QKOYXIYKLNJIOH-RTWAWAEBSA-N 2 1 361.599 3.444 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[NH+](C2CC2)C1 ZINC000470276378 502722705 /nfs/dbraw/zinc/72/27/05/502722705.db2.gz GCKSRGFVMPHTTP-LEWJYISDSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000470276378 502722709 /nfs/dbraw/zinc/72/27/09/502722709.db2.gz GCKSRGFVMPHTTP-LEWJYISDSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000470276378 502722712 /nfs/dbraw/zinc/72/27/12/502722712.db2.gz GCKSRGFVMPHTTP-LEWJYISDSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000463271121 502742633 /nfs/dbraw/zinc/74/26/33/502742633.db2.gz IOCFWVRHQKWTMA-GHTZIAJQSA-N 2 1 372.557 3.119 20 0 FGADMP c1cc2c(nc[nH+]c2NCCCOC2CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000484817669 502746023 /nfs/dbraw/zinc/74/60/23/502746023.db2.gz DAFWARXVENCSTL-UHFFFAOYSA-N 2 1 365.481 3.393 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473959353 502763293 /nfs/dbraw/zinc/76/32/93/502763293.db2.gz XOYGZWXXXIRTAH-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473959353 502763299 /nfs/dbraw/zinc/76/32/99/502763299.db2.gz XOYGZWXXXIRTAH-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473959353 502763304 /nfs/dbraw/zinc/76/33/04/502763304.db2.gz XOYGZWXXXIRTAH-KXTWHKPSSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167477 502770147 /nfs/dbraw/zinc/77/01/47/502770147.db2.gz CJZANJOYEBHDSZ-DENIHFKCSA-N 2 1 369.553 3.493 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167477 502770154 /nfs/dbraw/zinc/77/01/54/502770154.db2.gz CJZANJOYEBHDSZ-DENIHFKCSA-N 2 1 369.553 3.493 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000481178625 502774123 /nfs/dbraw/zinc/77/41/23/502774123.db2.gz SLJBDDOHUSTOFE-RXVVDRJESA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)CN(C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000481178625 502774127 /nfs/dbraw/zinc/77/41/27/502774127.db2.gz SLJBDDOHUSTOFE-RXVVDRJESA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC[NH+]2CC=CCC2)cc1 ZINC000474007206 502778597 /nfs/dbraw/zinc/77/85/97/502778597.db2.gz DASFMJZCUIVLHW-IBGZPJMESA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000474007206 502778602 /nfs/dbraw/zinc/77/86/02/502778602.db2.gz DASFMJZCUIVLHW-IBGZPJMESA-N 2 1 370.541 3.122 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000474007206 502778606 /nfs/dbraw/zinc/77/86/06/502778606.db2.gz DASFMJZCUIVLHW-IBGZPJMESA-N 2 1 370.541 3.122 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481194365 502779546 /nfs/dbraw/zinc/77/95/46/502779546.db2.gz WFNJMXNSJRTBCD-ZJOUEHCJSA-N 2 1 359.558 3.380 20 0 FGADMP CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481194365 502779549 /nfs/dbraw/zinc/77/95/49/502779549.db2.gz WFNJMXNSJRTBCD-ZJOUEHCJSA-N 2 1 359.558 3.380 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938412 502782789 /nfs/dbraw/zinc/78/27/89/502782789.db2.gz QGTIKRSRENNACT-CYDGBPFRSA-N 2 1 358.313 3.228 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)C1 ZINC000484938412 502782793 /nfs/dbraw/zinc/78/27/93/502782793.db2.gz QGTIKRSRENNACT-CYDGBPFRSA-N 2 1 358.313 3.228 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000500832601 502873036 /nfs/dbraw/zinc/87/30/36/502873036.db2.gz GTKAJOUKFBJQIR-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP CC(C)[N@H+]1CCCN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000505267246 502879738 /nfs/dbraw/zinc/87/97/38/502879738.db2.gz UCIUNHYFMUAXDR-UHFFFAOYSA-N 2 1 358.574 3.133 20 0 FGADMP CCOc1cc2[nH+]ccc(NCCCn3cc[nH+]c3C)c2cc1OCC ZINC000509450661 502906816 /nfs/dbraw/zinc/90/68/16/502906816.db2.gz GNVRBBYJJQHSJN-UHFFFAOYSA-N 2 1 354.454 3.461 20 0 FGADMP C[N@H+](CC(=O)NCCC1=CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501027239 502915250 /nfs/dbraw/zinc/91/52/50/502915250.db2.gz UXOYJRCEXPZFFN-UHFFFAOYSA-N 2 1 370.541 3.237 20 0 FGADMP C[N@H+](CC(=O)Nc1c(F)cccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501028968 502916129 /nfs/dbraw/zinc/91/61/29/502916129.db2.gz OVVCENWOPXTXDE-UHFFFAOYSA-N 2 1 374.435 3.147 20 0 FGADMP C[C@H](c1ccccc1Br)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000501039295 502919225 /nfs/dbraw/zinc/91/92/25/502919225.db2.gz VWMHAXQYFMPKQX-OAHLLOKOSA-N 2 1 354.336 3.079 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501051193 502923375 /nfs/dbraw/zinc/92/33/75/502923375.db2.gz GTTNWWNMTODJAH-UHFFFAOYSA-N 2 1 374.573 3.370 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)COc1ncccc1Br ZINC000501069452 502927201 /nfs/dbraw/zinc/92/72/01/502927201.db2.gz PTWTVUWYJYWQGD-UHFFFAOYSA-N 2 1 367.291 3.186 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccsc1 ZINC000501178287 502953951 /nfs/dbraw/zinc/95/39/51/502953951.db2.gz YGQPJXCQRUFMMD-RCCFBDPRSA-N 2 1 364.559 3.057 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000513510940 502956076 /nfs/dbraw/zinc/95/60/76/502956076.db2.gz GRGNBZWIXGDAPU-RXVVDRJESA-N 2 1 365.521 3.437 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1(C(=O)OC)CCC1 ZINC000497549955 502985299 /nfs/dbraw/zinc/98/52/99/502985299.db2.gz HYLGDZPAXUNPCD-FQEVSTJZSA-N 2 1 358.526 3.405 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000513667335 502995406 /nfs/dbraw/zinc/99/54/06/502995406.db2.gz QNILEKZDSYCMRV-PVAVHDDUSA-N 2 1 350.890 3.464 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]2CCC[C@@H]21 ZINC000513666709 502995606 /nfs/dbraw/zinc/99/56/06/502995606.db2.gz NIEAGRXPRYDLCD-CUWPLCDZSA-N 2 1 350.510 3.323 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@@H]2CCC[C@@H]21 ZINC000513666709 502995609 /nfs/dbraw/zinc/99/56/09/502995609.db2.gz NIEAGRXPRYDLCD-CUWPLCDZSA-N 2 1 350.510 3.323 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000489634244 503001953 /nfs/dbraw/zinc/00/19/53/503001953.db2.gz MQLDZXGWNMXQHN-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000513696606 503002897 /nfs/dbraw/zinc/00/28/97/503002897.db2.gz BEKJBTZMDRTNLH-XIRDDKMYSA-N 2 1 350.890 3.116 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000489676074 503008761 /nfs/dbraw/zinc/00/87/61/503008761.db2.gz HCSPQDYSFDUECD-UHFFFAOYSA-N 2 1 356.466 3.410 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000501504649 503023579 /nfs/dbraw/zinc/02/35/79/503023579.db2.gz RYPMLHLEPKZBOC-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000514023287 503070494 /nfs/dbraw/zinc/07/04/94/503070494.db2.gz VZGWIOXEYAVFQJ-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP C[NH+](CCNC(=O)NCCC[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000514025633 503071016 /nfs/dbraw/zinc/07/10/16/503071016.db2.gz YDYDMPYURTXIJV-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP C[NH+](CCCNC(=O)NCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000514025633 503071020 /nfs/dbraw/zinc/07/10/20/503071020.db2.gz YDYDMPYURTXIJV-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP C[NH+](CCCNC(=O)NCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000514025633 503071024 /nfs/dbraw/zinc/07/10/24/503071024.db2.gz YDYDMPYURTXIJV-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccccc1-n1ccnn1 ZINC000514083184 503082864 /nfs/dbraw/zinc/08/28/64/503082864.db2.gz KAENGUHATGFMQC-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccccc1-n1ccnn1 ZINC000514083184 503082866 /nfs/dbraw/zinc/08/28/66/503082866.db2.gz KAENGUHATGFMQC-GOSISDBHSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000514126706 503094720 /nfs/dbraw/zinc/09/47/20/503094720.db2.gz LHSXEFYMXUAECS-OALUTQOASA-N 2 1 366.594 3.451 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000514126706 503094723 /nfs/dbraw/zinc/09/47/23/503094723.db2.gz LHSXEFYMXUAECS-OALUTQOASA-N 2 1 366.594 3.451 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000514126706 503094728 /nfs/dbraw/zinc/09/47/28/503094728.db2.gz LHSXEFYMXUAECS-OALUTQOASA-N 2 1 366.594 3.451 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NCc1cccc(C[N@H+](C)CC)c1)c1ccccc1 ZINC000490107373 503110538 /nfs/dbraw/zinc/11/05/38/503110538.db2.gz RSFPQVKEEDGVOJ-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)c1 ZINC000490107373 503110540 /nfs/dbraw/zinc/11/05/40/503110540.db2.gz RSFPQVKEEDGVOJ-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)c1 ZINC000490107373 503110543 /nfs/dbraw/zinc/11/05/43/503110543.db2.gz RSFPQVKEEDGVOJ-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2(C)CCCC2)CC1 ZINC000490132533 503115152 /nfs/dbraw/zinc/11/51/52/503115152.db2.gz IYTSXPKWFWONAV-UHFFFAOYSA-N 2 1 357.542 3.340 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000514221440 503116926 /nfs/dbraw/zinc/11/69/26/503116926.db2.gz HTZHGIOVNRYSNF-FPOVZHCZSA-N 2 1 372.557 3.163 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490167191 503121315 /nfs/dbraw/zinc/12/13/15/503121315.db2.gz GWVCZDAJVUUSNC-GHTZIAJQSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506471228 503121665 /nfs/dbraw/zinc/12/16/65/503121665.db2.gz CUJSQGBLJRTQRQ-VIYGXFRKSA-N 2 1 363.590 3.466 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000498264019 503146204 /nfs/dbraw/zinc/14/62/04/503146204.db2.gz GMHNDNJTJIDJRB-YOUFYPILSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000498264019 503146210 /nfs/dbraw/zinc/14/62/10/503146210.db2.gz GMHNDNJTJIDJRB-YOUFYPILSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1C ZINC000498264019 503146216 /nfs/dbraw/zinc/14/62/16/503146216.db2.gz GMHNDNJTJIDJRB-YOUFYPILSA-N 2 1 372.557 3.021 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)CC1 ZINC000510671311 503169854 /nfs/dbraw/zinc/16/98/54/503169854.db2.gz PXRAVKXKUVKWKH-UYAOXDASSA-N 2 1 361.505 3.082 20 0 FGADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cc2)CC1 ZINC000510671308 503169881 /nfs/dbraw/zinc/16/98/81/503169881.db2.gz PXRAVKXKUVKWKH-AZUAARDMSA-N 2 1 361.505 3.082 20 0 FGADMP C[C@H](CCc1c(F)cccc1F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000510735733 503181587 /nfs/dbraw/zinc/18/15/87/503181587.db2.gz OVDRXRQKSNOEJH-MRXNPFEDSA-N 2 1 353.501 3.149 20 0 FGADMP C[C@@H]1C[C@H](N[C@@H]2CCOc3c(Br)cccc32)C[N@@H+]1C1CC1 ZINC000502342265 503183918 /nfs/dbraw/zinc/18/39/18/503183918.db2.gz BDHJEASOXVXJIF-BFQNTYOBSA-N 2 1 351.288 3.488 20 0 FGADMP C[C@@H]1C[C@H](N[C@@H]2CCOc3c(Br)cccc32)C[N@H+]1C1CC1 ZINC000502342265 503183920 /nfs/dbraw/zinc/18/39/20/503183920.db2.gz BDHJEASOXVXJIF-BFQNTYOBSA-N 2 1 351.288 3.488 20 0 FGADMP CCN(C)c1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896221 503221680 /nfs/dbraw/zinc/22/16/80/503221680.db2.gz KHEIEZGNGXLLBT-YADHBBJMSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896221 503221684 /nfs/dbraw/zinc/22/16/84/503221684.db2.gz KHEIEZGNGXLLBT-YADHBBJMSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896221 503221686 /nfs/dbraw/zinc/22/16/86/503221686.db2.gz KHEIEZGNGXLLBT-YADHBBJMSA-N 2 1 364.537 3.492 20 0 FGADMP CCN(C)c1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000514896221 503221691 /nfs/dbraw/zinc/22/16/91/503221691.db2.gz KHEIEZGNGXLLBT-YADHBBJMSA-N 2 1 364.537 3.492 20 0 FGADMP Cc1ccc(C)c(OCCC[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000491021623 503261995 /nfs/dbraw/zinc/26/19/95/503261995.db2.gz QHSNKGZXJKKFHN-NHCUHLMSSA-N 2 1 359.558 3.030 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507443274 503300119 /nfs/dbraw/zinc/30/01/19/503300119.db2.gz QPNTZFFLEZUTDI-KSSFIOAISA-N 2 1 358.448 3.373 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899929 503303152 /nfs/dbraw/zinc/30/31/52/503303152.db2.gz QESVJINPIRAVCA-JQHSSLGASA-N 2 1 362.518 3.025 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCCCC1 ZINC000515290441 503307191 /nfs/dbraw/zinc/30/71/91/503307191.db2.gz UAGBDAWBARDOBI-QZTJIDSGSA-N 2 1 364.534 3.082 20 0 FGADMP CCC[N@H+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511380976 503310665 /nfs/dbraw/zinc/31/06/65/503310665.db2.gz STOWNMNQNRQREH-OALUTQOASA-N 2 1 353.938 3.033 20 0 FGADMP CCC[N@@H+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[NH+](C)CCO1 ZINC000511380976 503310668 /nfs/dbraw/zinc/31/06/68/503310668.db2.gz STOWNMNQNRQREH-OALUTQOASA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000511380976 503310671 /nfs/dbraw/zinc/31/06/71/503310671.db2.gz STOWNMNQNRQREH-OALUTQOASA-N 2 1 353.938 3.033 20 0 FGADMP CCC[NH+](CC)CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000511380976 503310674 /nfs/dbraw/zinc/31/06/74/503310674.db2.gz STOWNMNQNRQREH-OALUTQOASA-N 2 1 353.938 3.033 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCOC3)CC2)cs1 ZINC000507515122 503312743 /nfs/dbraw/zinc/31/27/43/503312743.db2.gz URWIJHMGFSVWHH-RDJZCZTQSA-N 2 1 351.560 3.322 20 0 FGADMP C[N@H+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399734 503314281 /nfs/dbraw/zinc/31/42/81/503314281.db2.gz SWMGKOAZPIDXOX-WOJBJXKFSA-N 2 1 365.949 3.176 20 0 FGADMP C[N@@H+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[NH+](C)CCO1)C1CCCC1 ZINC000511399734 503314285 /nfs/dbraw/zinc/31/42/85/503314285.db2.gz SWMGKOAZPIDXOX-WOJBJXKFSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1)C1CCCC1 ZINC000511399734 503314287 /nfs/dbraw/zinc/31/42/87/503314287.db2.gz SWMGKOAZPIDXOX-WOJBJXKFSA-N 2 1 365.949 3.176 20 0 FGADMP C[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1)C1CCCC1 ZINC000511399734 503314290 /nfs/dbraw/zinc/31/42/90/503314290.db2.gz SWMGKOAZPIDXOX-WOJBJXKFSA-N 2 1 365.949 3.176 20 0 FGADMP CCc1cc(NCC[N@H+](CC)CCC(F)(F)F)nc(-c2ccncc2)n1 ZINC000491720559 503327464 /nfs/dbraw/zinc/32/74/64/503327464.db2.gz NULMYJUQXDGNFJ-UHFFFAOYSA-N 2 1 367.419 3.209 20 0 FGADMP CCc1cc(NCCN(CC)CCC(F)(F)F)nc(-c2ccncc2)n1 ZINC000491720559 503327467 /nfs/dbraw/zinc/32/74/67/503327467.db2.gz NULMYJUQXDGNFJ-UHFFFAOYSA-N 2 1 367.419 3.209 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000499108874 503336561 /nfs/dbraw/zinc/33/65/61/503336561.db2.gz CRNINFCCNASHLI-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000503093943 503345547 /nfs/dbraw/zinc/34/55/47/503345547.db2.gz ZSDJFZLYXKNKOR-HMXCVIKNSA-N 2 1 372.557 3.386 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000499160190 503346271 /nfs/dbraw/zinc/34/62/71/503346271.db2.gz IBPVZYOGMUGPFG-KOUNCHBCSA-N 2 1 369.553 3.468 20 0 FGADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515476801 503346444 /nfs/dbraw/zinc/34/64/44/503346444.db2.gz TZZLVXUTJARGJK-RVKKMQEKSA-N 2 1 350.478 3.301 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000511855841 503401145 /nfs/dbraw/zinc/40/11/45/503401145.db2.gz RCYNHHYOIGWRFM-BHDDXSALSA-N 2 1 369.553 3.244 20 0 FGADMP COc1ccc(OCC[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000503439867 503409430 /nfs/dbraw/zinc/40/94/30/503409430.db2.gz LSKWKYNWXAVWQR-KRWDZBQOSA-N 2 1 355.482 3.486 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000511924544 503416579 /nfs/dbraw/zinc/41/65/79/503416579.db2.gz VZIWYUZFYDMIFS-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000499506635 503421427 /nfs/dbraw/zinc/42/14/27/503421427.db2.gz GMDATQMMEIMEHP-KRWDZBQOSA-N 2 1 371.447 3.194 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)cc(Cl)c1 ZINC000499508683 503422169 /nfs/dbraw/zinc/42/21/69/503422169.db2.gz OFCPJJFDVONSRS-QGZVFWFLSA-N 2 1 372.340 3.482 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000508145739 503441151 /nfs/dbraw/zinc/44/11/51/503441151.db2.gz ATBLFXQRKUHFGP-GOSISDBHSA-N 2 1 351.922 3.325 20 0 FGADMP CN(C(=O)C[N@H+](C)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499620755 503444615 /nfs/dbraw/zinc/44/46/15/503444615.db2.gz FYKSZMUWWCXISP-UHFFFAOYSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499620755 503444619 /nfs/dbraw/zinc/44/46/19/503444619.db2.gz FYKSZMUWWCXISP-UHFFFAOYSA-N 2 1 365.521 3.241 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000508179760 503446655 /nfs/dbraw/zinc/44/66/55/503446655.db2.gz JUTLZRLHGHVINB-UHFFFAOYSA-N 2 1 362.468 3.492 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000508198870 503451441 /nfs/dbraw/zinc/45/14/41/503451441.db2.gz ZGBXMUUBJNPCAL-GOSISDBHSA-N 2 1 351.922 3.277 20 0 FGADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000493944206 503463111 /nfs/dbraw/zinc/46/31/11/503463111.db2.gz HOGUSCGHCIJNAW-QGZVFWFLSA-N 2 1 367.331 3.181 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[NH+](C3CC3)CC2)CCCC1)c1ccccc1 ZINC000503707532 503463787 /nfs/dbraw/zinc/46/37/87/503463787.db2.gz JNWYKCBWGVZMMK-SFHVURJKSA-N 2 1 370.541 3.140 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000516181241 503464261 /nfs/dbraw/zinc/46/42/61/503464261.db2.gz AVKCBLNCEUOHLO-IEBWSBKVSA-N 2 1 360.546 3.099 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1 ZINC000508265071 503464739 /nfs/dbraw/zinc/46/47/39/503464739.db2.gz ITVALWRNECMGRW-LJQANCHMSA-N 2 1 354.583 3.115 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000499797370 503484771 /nfs/dbraw/zinc/48/47/71/503484771.db2.gz OEBPTBHJGXHKHK-RTBURBONSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000499887293 503502656 /nfs/dbraw/zinc/50/26/56/503502656.db2.gz LFIYLLMHEZDQIM-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887293 503502661 /nfs/dbraw/zinc/50/26/61/503502661.db2.gz LFIYLLMHEZDQIM-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887293 503502664 /nfs/dbraw/zinc/50/26/64/503502664.db2.gz LFIYLLMHEZDQIM-FPOVZHCZSA-N 2 1 357.542 3.374 20 0 FGADMP Cn1c2ccc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502209 503506687 /nfs/dbraw/zinc/50/66/87/503506687.db2.gz BIECDWZNQQUKMG-LJQANCHMSA-N 2 1 365.477 3.085 20 0 FGADMP Cn1c2ccc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502209 503506691 /nfs/dbraw/zinc/50/66/91/503506691.db2.gz BIECDWZNQQUKMG-LJQANCHMSA-N 2 1 365.477 3.085 20 0 FGADMP Cn1c2ccc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502209 503506694 /nfs/dbraw/zinc/50/66/94/503506694.db2.gz BIECDWZNQQUKMG-LJQANCHMSA-N 2 1 365.477 3.085 20 0 FGADMP Cn1c2ccc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502209 503506696 /nfs/dbraw/zinc/50/66/96/503506696.db2.gz BIECDWZNQQUKMG-LJQANCHMSA-N 2 1 365.477 3.085 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000503993567 503507201 /nfs/dbraw/zinc/50/72/01/503507201.db2.gz PKFBWOKBGCKWDM-MJGOQNOKSA-N 2 1 374.529 3.156 20 0 FGADMP C/C(=C/c1ccccc1)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000494263183 503515053 /nfs/dbraw/zinc/51/50/53/503515053.db2.gz WEMQDAHYJUTPLT-JXTFVVQCSA-N 2 1 365.521 3.441 20 0 FGADMP C/C(=C/c1ccccc1)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000494263183 503515056 /nfs/dbraw/zinc/51/50/56/503515056.db2.gz WEMQDAHYJUTPLT-JXTFVVQCSA-N 2 1 365.521 3.441 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000512350697 503526962 /nfs/dbraw/zinc/52/69/62/503526962.db2.gz TWDKOJWAIWDZAQ-UWJYYQICSA-N 2 1 354.494 3.070 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)[C@@H](C)C(=O)N3CCCCC3)C2)s1 ZINC000516574250 503540681 /nfs/dbraw/zinc/54/06/81/503540681.db2.gz MKLZEZKJZVPNPA-ZWKOTPCHSA-N 2 1 363.571 3.211 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423677 503545751 /nfs/dbraw/zinc/54/57/51/503545751.db2.gz JBSHAEHWHNHCDT-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423677 503545755 /nfs/dbraw/zinc/54/57/55/503545755.db2.gz JBSHAEHWHNHCDT-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423677 503545760 /nfs/dbraw/zinc/54/57/60/503545760.db2.gz JBSHAEHWHNHCDT-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000508699859 503546352 /nfs/dbraw/zinc/54/63/52/503546352.db2.gz SBFQBXURBNAMSH-ADYITMSISA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699859 503546359 /nfs/dbraw/zinc/54/63/59/503546359.db2.gz SBFQBXURBNAMSH-ADYITMSISA-N 2 1 373.585 3.376 20 0 FGADMP CCC[C@H]1CN(C(=O)[C@H](C)Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000516660812 503563444 /nfs/dbraw/zinc/56/34/44/503563444.db2.gz CLCALZWKSGZJJY-XLIONFOSSA-N 2 1 354.498 3.101 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000516700462 503573355 /nfs/dbraw/zinc/57/33/55/503573355.db2.gz KXGSVFFVOIQKSA-CUWPLCDZSA-N 2 1 373.566 3.402 20 0 FGADMP O=C(CC[C@H]1CCC[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000494638106 503580186 /nfs/dbraw/zinc/58/01/86/503580186.db2.gz OXUWGTUJRGNDSM-IFMALSPDSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@H+](C2CCCC2)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000508872394 503584450 /nfs/dbraw/zinc/58/44/50/503584450.db2.gz RQQGDYGBVRVAKA-NQIIRXRSSA-N 2 1 372.557 3.338 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@@]12CCCO2 ZINC000512654497 503604244 /nfs/dbraw/zinc/60/42/44/503604244.db2.gz MRVXSOXITOIBAK-NDYOWHOSSA-N 2 1 358.526 3.356 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@@]12CCCO2 ZINC000512654497 503604246 /nfs/dbraw/zinc/60/42/46/503604246.db2.gz MRVXSOXITOIBAK-NDYOWHOSSA-N 2 1 358.526 3.356 20 0 FGADMP Fc1cccnc1OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512667856 503608147 /nfs/dbraw/zinc/60/81/47/503608147.db2.gz RJCMBVPKVKZKLG-QKNQBKEWSA-N 2 1 369.484 3.490 20 0 FGADMP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000504805867 503617627 /nfs/dbraw/zinc/61/76/27/503617627.db2.gz WYTILIKLSLACBI-NHCUHLMSSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C)CC2(C)C)c1 ZINC000500508821 503639376 /nfs/dbraw/zinc/63/93/76/503639376.db2.gz AOTJRDLFBUZBBG-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[N@H+](C)CC2(C)C)c1 ZINC000500508821 503639378 /nfs/dbraw/zinc/63/93/78/503639378.db2.gz AOTJRDLFBUZBBG-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH3+])CCCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000517019812 503645644 /nfs/dbraw/zinc/64/56/44/503645644.db2.gz PRWJFNZIZCPXBC-QUCCMNQESA-N 2 1 372.557 3.248 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(F)c1Cl ZINC000494988297 503645897 /nfs/dbraw/zinc/64/58/97/503645897.db2.gz NNNGOYLSCFMTNA-AWEZNQCLSA-N 2 1 370.900 3.359 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000517064011 503652542 /nfs/dbraw/zinc/65/25/42/503652542.db2.gz RZGLYEMDWXSXGM-QWFCFKBJSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000517064011 503652548 /nfs/dbraw/zinc/65/25/48/503652548.db2.gz RZGLYEMDWXSXGM-QWFCFKBJSA-N 2 1 360.546 3.242 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccnn2C2CCCC2)c2cccs2)CC1 ZINC000517071125 503656760 /nfs/dbraw/zinc/65/67/60/503656760.db2.gz HIXQQAAJUKDOSS-IBGZPJMESA-N 2 1 373.570 3.138 20 0 FGADMP COc1ccsc1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000536666716 503668688 /nfs/dbraw/zinc/66/86/88/503668688.db2.gz SKDHAMICRMMQIA-UHFFFAOYSA-N 2 1 365.587 3.385 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666706 503669306 /nfs/dbraw/zinc/66/93/06/503669306.db2.gz RTWUOPKHAQEDGO-NQIIRXRSSA-N 2 1 371.569 3.248 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000536666706 503669309 /nfs/dbraw/zinc/66/93/09/503669309.db2.gz RTWUOPKHAQEDGO-NQIIRXRSSA-N 2 1 371.569 3.248 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000529719657 503679149 /nfs/dbraw/zinc/67/91/49/503679149.db2.gz NWELTCUUFSGFAQ-QFIPXVFZSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000517223015 503682098 /nfs/dbraw/zinc/68/20/98/503682098.db2.gz WAYGROMXWGRLCT-KRWDZBQOSA-N 2 1 358.555 3.488 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000527113995 503685335 /nfs/dbraw/zinc/68/53/35/503685335.db2.gz XIRJQMOOSLFONW-FQEVSTJZSA-N 2 1 366.509 3.036 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000533159286 503744983 /nfs/dbraw/zinc/74/49/83/503744983.db2.gz SEEGWQXCEBRQJI-UHFFFAOYSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2ccc(Br)cc12 ZINC000543415816 503761159 /nfs/dbraw/zinc/76/11/59/503761159.db2.gz CINLHPUZXTXTJT-MLGOLLRUSA-N 2 1 350.304 3.403 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](Cc3ccc4c(c3)CCC4)CC2)C[C@@H](C)O1 ZINC000536934199 503766263 /nfs/dbraw/zinc/76/62/63/503766263.db2.gz DCBPIIJZCPONJD-RTBURBONSA-N 2 1 372.553 3.266 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000517593266 503781142 /nfs/dbraw/zinc/78/11/42/503781142.db2.gz MEQMOPRQXGKARL-JKSUJKDBSA-N 2 1 366.575 3.161 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CC=C(C)CC2)[NH+]2CCCC2)cc1 ZINC000546566084 503790855 /nfs/dbraw/zinc/79/08/55/503790855.db2.gz JXIUJSMGACBKAE-NRFANRHFSA-N 2 1 370.541 3.083 20 0 FGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000546653940 503825370 /nfs/dbraw/zinc/82/53/70/503825370.db2.gz FLVLNTGAUIYJMC-XLIONFOSSA-N 2 1 373.566 3.353 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000540607479 503832787 /nfs/dbraw/zinc/83/27/87/503832787.db2.gz UARUFJSFMHAACC-CYBMUJFWSA-N 2 1 355.404 3.274 20 0 FGADMP CCC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)CC1CC1 ZINC000537259391 503861054 /nfs/dbraw/zinc/86/10/54/503861054.db2.gz MFSVPDXPIPZPGH-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CCC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1)CC1CC1 ZINC000537259391 503861059 /nfs/dbraw/zinc/86/10/59/503861059.db2.gz MFSVPDXPIPZPGH-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CCC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(C)cc2)CC1)CC1CC1 ZINC000537259391 503861065 /nfs/dbraw/zinc/86/10/65/503861065.db2.gz MFSVPDXPIPZPGH-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527654868 503878101 /nfs/dbraw/zinc/87/81/01/503878101.db2.gz UTMYHLIPZQNSDS-PWRODBHTSA-N 2 1 357.542 3.280 20 0 FGADMP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CCN1c1ccc(Cl)cc1F ZINC000530223187 503881677 /nfs/dbraw/zinc/88/16/77/503881677.db2.gz PLDLBWPUFRYTML-AEFFLSMTSA-N 2 1 365.880 3.048 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023371 503892042 /nfs/dbraw/zinc/89/20/42/503892042.db2.gz NXLKMHWKHFNJRP-YZGWKJHDSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023371 503892050 /nfs/dbraw/zinc/89/20/50/503892050.db2.gz NXLKMHWKHFNJRP-YZGWKJHDSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023371 503892054 /nfs/dbraw/zinc/89/20/54/503892054.db2.gz NXLKMHWKHFNJRP-YZGWKJHDSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518067822 503902163 /nfs/dbraw/zinc/90/21/63/503902163.db2.gz DKWYBOLPCCIGFN-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP CC[N@@H+](CCC1CC1)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000546931746 503931474 /nfs/dbraw/zinc/93/14/74/503931474.db2.gz AMMAMEQYPJPKGB-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CCC1CC1)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000546931746 503931477 /nfs/dbraw/zinc/93/14/77/503931477.db2.gz AMMAMEQYPJPKGB-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC[NH+](CCC1CC1)CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000546931746 503931482 /nfs/dbraw/zinc/93/14/82/503931482.db2.gz AMMAMEQYPJPKGB-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000530354910 503936236 /nfs/dbraw/zinc/93/62/36/503936236.db2.gz FLEHOJQUSRHYOG-MAUKXSAKSA-N 2 1 361.461 3.400 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000518258671 503938159 /nfs/dbraw/zinc/93/81/59/503938159.db2.gz QXZHGOHNBGJBAN-UHFFFAOYSA-N 2 1 364.287 3.411 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(Br)cc2c1OCC2 ZINC000518258671 503938162 /nfs/dbraw/zinc/93/81/62/503938162.db2.gz QXZHGOHNBGJBAN-UHFFFAOYSA-N 2 1 364.287 3.411 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976269 503961547 /nfs/dbraw/zinc/96/15/47/503961547.db2.gz HFHBWMCCZUWKJE-LRSLUSHPSA-N 2 1 358.526 3.072 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000518453517 503989987 /nfs/dbraw/zinc/98/99/87/503989987.db2.gz PPLOPRRNERMYEV-IBGZPJMESA-N 2 1 374.573 3.446 20 0 FGADMP C[C@H](NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccc(N2CCNC2=O)cc1 ZINC000527947188 504010384 /nfs/dbraw/zinc/01/03/84/504010384.db2.gz KDZFNZRKTTVKEH-JXFKEZNVSA-N 2 1 356.514 3.274 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950022 504013108 /nfs/dbraw/zinc/01/31/08/504013108.db2.gz OUOMJJSSXBQEJY-JBACZVJFSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950022 504013114 /nfs/dbraw/zinc/01/31/14/504013114.db2.gz OUOMJJSSXBQEJY-JBACZVJFSA-N 2 1 351.579 3.120 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H](C)C1 ZINC000527950022 504013117 /nfs/dbraw/zinc/01/31/17/504013117.db2.gz OUOMJJSSXBQEJY-JBACZVJFSA-N 2 1 351.579 3.120 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530590307 504019823 /nfs/dbraw/zinc/01/98/23/504019823.db2.gz JLDSKDIYVQEIJT-QGZVFWFLSA-N 2 1 362.905 3.469 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000518593126 504022532 /nfs/dbraw/zinc/02/25/32/504022532.db2.gz ZVGHPAPGGWYHBM-HSALFYBXSA-N 2 1 364.578 3.014 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CCCc2ccsc2)CC1)Cc1ccccc1 ZINC000541172797 504031245 /nfs/dbraw/zinc/03/12/45/504031245.db2.gz GHCPEJFEEASXSN-UHFFFAOYSA-N 2 1 357.567 3.430 20 0 FGADMP O=C1Nc2ccccc2C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000528001977 504034256 /nfs/dbraw/zinc/03/42/56/504034256.db2.gz QNCDSRFUAWZDJL-XAPVIXHLSA-N 2 1 361.489 3.335 20 0 FGADMP CC[C@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)[N@H+](C)Cc1ccccc1 ZINC000518848549 504079361 /nfs/dbraw/zinc/07/93/61/504079361.db2.gz MEXIPLDVMZDNAK-HXUWFJFHSA-N 2 1 354.498 3.266 20 0 FGADMP CC[C@H](C(=O)N1CCC(n2c[nH+]cc2C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000518848549 504079365 /nfs/dbraw/zinc/07/93/65/504079365.db2.gz MEXIPLDVMZDNAK-HXUWFJFHSA-N 2 1 354.498 3.266 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc2cccnc12 ZINC000544352199 504099921 /nfs/dbraw/zinc/09/99/21/504099921.db2.gz YBYOBAJDEMERSW-OAQYLSRUSA-N 2 1 352.526 3.144 20 0 FGADMP Cc1csc(NC2CC[NH+](Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)n1 ZINC000547443261 504108073 /nfs/dbraw/zinc/10/80/73/504108073.db2.gz UDXKHFGRURJGPT-UHFFFAOYSA-N 2 1 368.510 3.417 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000518998579 504113951 /nfs/dbraw/zinc/11/39/51/504113951.db2.gz NWSXIALFICDYSV-LJQANCHMSA-N 2 1 366.594 3.262 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000547502394 504128324 /nfs/dbraw/zinc/12/83/24/504128324.db2.gz RGKYGOPNAKVTPB-UHFFFAOYSA-N 2 1 363.824 3.270 20 0 FGADMP C[C@@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503547 504129520 /nfs/dbraw/zinc/12/95/20/504129520.db2.gz UURYTKKZQXZELS-XMSQKQJNSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C[NH+]1CCCC1 ZINC000519177910 504157213 /nfs/dbraw/zinc/15/72/13/504157213.db2.gz QZBKRENRGFOKNZ-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C1CC1 ZINC000519204728 504165052 /nfs/dbraw/zinc/16/50/52/504165052.db2.gz AFLJWNWGADLKSO-ZWKOTPCHSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)[N@H+](C)C1CC1 ZINC000519204728 504165056 /nfs/dbraw/zinc/16/50/56/504165056.db2.gz AFLJWNWGADLKSO-ZWKOTPCHSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCCC[C@@H]2C)cc1)[N@@H+](C)C1CC1 ZINC000519204728 504165060 /nfs/dbraw/zinc/16/50/60/504165060.db2.gz AFLJWNWGADLKSO-ZWKOTPCHSA-N 2 1 372.557 3.343 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2cccnc12 ZINC000541536715 504169250 /nfs/dbraw/zinc/16/92/50/504169250.db2.gz JJTIIAJFUZQRDC-RXVVDRJESA-N 2 1 352.526 3.001 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2cccnc12 ZINC000541536713 504169705 /nfs/dbraw/zinc/16/97/05/504169705.db2.gz JJTIIAJFUZQRDC-GHTZIAJQSA-N 2 1 352.526 3.001 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000534611369 504190982 /nfs/dbraw/zinc/19/09/82/504190982.db2.gz OCXSSYBEFOTFTI-HOJAQTOUSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000534611369 504190989 /nfs/dbraw/zinc/19/09/89/504190989.db2.gz OCXSSYBEFOTFTI-HOJAQTOUSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000534611369 504190993 /nfs/dbraw/zinc/19/09/93/504190993.db2.gz OCXSSYBEFOTFTI-HOJAQTOUSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@H](C)O1 ZINC000528391667 504203071 /nfs/dbraw/zinc/20/30/71/504203071.db2.gz AGSHLBGQVFUWIK-IYBDPMFKSA-N 2 1 351.922 3.446 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ncccc3Cl)CC2)C[C@H](C)O1 ZINC000528391667 504203076 /nfs/dbraw/zinc/20/30/76/504203076.db2.gz AGSHLBGQVFUWIK-IYBDPMFKSA-N 2 1 351.922 3.446 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000519381311 504208318 /nfs/dbraw/zinc/20/83/18/504208318.db2.gz WXWUDGWFLFVUTG-GBESFXJTSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000519381311 504208322 /nfs/dbraw/zinc/20/83/22/504208322.db2.gz WXWUDGWFLFVUTG-GBESFXJTSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000519381311 504208326 /nfs/dbraw/zinc/20/83/26/504208326.db2.gz WXWUDGWFLFVUTG-GBESFXJTSA-N 2 1 352.567 3.203 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C12CCC2 ZINC000538394023 504233134 /nfs/dbraw/zinc/23/31/34/504233134.db2.gz LOQXKHBYAJIPQQ-OALUTQOASA-N 2 1 350.547 3.347 20 0 FGADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000538406626 504238035 /nfs/dbraw/zinc/23/80/35/504238035.db2.gz MVKSZXRODCAMEC-INIZCTEOSA-N 2 1 362.539 3.315 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827805 504239087 /nfs/dbraw/zinc/23/90/87/504239087.db2.gz AQWDUFKQCMZLEG-AJSBUHFISA-N 2 1 352.522 3.338 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789148 504240923 /nfs/dbraw/zinc/24/09/23/504240923.db2.gz FIOJAIWATFBQGV-JCGIZDLHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789148 504240928 /nfs/dbraw/zinc/24/09/28/504240928.db2.gz FIOJAIWATFBQGV-JCGIZDLHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789148 504240933 /nfs/dbraw/zinc/24/09/33/504240933.db2.gz FIOJAIWATFBQGV-JCGIZDLHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789148 504240939 /nfs/dbraw/zinc/24/09/39/504240939.db2.gz FIOJAIWATFBQGV-JCGIZDLHSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000534871068 504266638 /nfs/dbraw/zinc/26/66/38/504266638.db2.gz YDLXHEWCYCGFFV-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)C(C)C ZINC000534871068 504266645 /nfs/dbraw/zinc/26/66/45/504266645.db2.gz YDLXHEWCYCGFFV-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP CCN(C(=O)CCN(C)c1cc[nH+]cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544876331 504287557 /nfs/dbraw/zinc/28/75/57/504287557.db2.gz ZNTIOIKMFWJXNA-NRFANRHFSA-N 2 1 366.509 3.031 20 0 FGADMP CC[C@@H](C)Oc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000531401096 504294993 /nfs/dbraw/zinc/29/49/93/504294993.db2.gz JPOSXUFMZULDBD-MRXNPFEDSA-N 2 1 368.481 3.263 20 0 FGADMP C(CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000535011616 504312462 /nfs/dbraw/zinc/31/24/62/504312462.db2.gz DUBVYFKQFANYMU-MYGLTJDJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@@H+]1CCC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011616 504312467 /nfs/dbraw/zinc/31/24/67/504312467.db2.gz DUBVYFKQFANYMU-MYGLTJDJSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@H+]1CCC[C@H]([C@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011616 504312472 /nfs/dbraw/zinc/31/24/72/504312472.db2.gz DUBVYFKQFANYMU-MYGLTJDJSA-N 2 1 364.574 3.264 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528657041 504316740 /nfs/dbraw/zinc/31/67/40/504316740.db2.gz QOGKVXKAYRXDQB-FYZZASKESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528657041 504316742 /nfs/dbraw/zinc/31/67/42/504316742.db2.gz QOGKVXKAYRXDQB-FYZZASKESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528657041 504316747 /nfs/dbraw/zinc/31/67/47/504316747.db2.gz QOGKVXKAYRXDQB-FYZZASKESA-N 2 1 357.542 3.134 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNCC2([NH+](C)C)CCCC2)CC1 ZINC000531532018 504336222 /nfs/dbraw/zinc/33/62/22/504336222.db2.gz OERCVHLFBJMQNU-UHFFFAOYSA-N 2 1 358.574 3.183 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc4c3OCO4)CC2)CC1 ZINC000538724036 504344210 /nfs/dbraw/zinc/34/42/10/504344210.db2.gz NYNLDRVTOJOTBO-UHFFFAOYSA-N 2 1 373.541 3.043 20 0 FGADMP Brc1c[nH+]ccc1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000548152491 504349783 /nfs/dbraw/zinc/34/97/83/504349783.db2.gz OFNSRFAVDOLCDC-INIZCTEOSA-N 2 1 360.299 3.243 20 0 FGADMP Brc1c[nH+]ccc1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000548152491 504349787 /nfs/dbraw/zinc/34/97/87/504349787.db2.gz OFNSRFAVDOLCDC-INIZCTEOSA-N 2 1 360.299 3.243 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)CCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548158938 504352159 /nfs/dbraw/zinc/35/21/59/504352159.db2.gz LWUCJPHSPKVJNI-VJBMBRPKSA-N 2 1 352.522 3.480 20 0 FGADMP CCOc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)cc1 ZINC000519908038 504380220 /nfs/dbraw/zinc/38/02/20/504380220.db2.gz CKUWKTMHBXRQFX-UHFFFAOYSA-N 2 1 373.541 3.039 20 0 FGADMP O[C@@H](C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1)C[NH+]1CCCC1 ZINC000531701903 504397431 /nfs/dbraw/zinc/39/74/31/504397431.db2.gz MJHUBMIILGNUPE-SFTDATJTSA-N 2 1 360.448 3.295 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531725723 504405472 /nfs/dbraw/zinc/40/54/72/504405472.db2.gz VIRATTFJHCWLPB-IOASZLSFSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531725723 504405477 /nfs/dbraw/zinc/40/54/77/504405477.db2.gz VIRATTFJHCWLPB-IOASZLSFSA-N 2 1 368.319 3.239 20 0 FGADMP CC1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000520070341 504407229 /nfs/dbraw/zinc/40/72/29/504407229.db2.gz BKEYDQNKRILDLB-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000520188257 504430429 /nfs/dbraw/zinc/43/04/29/504430429.db2.gz KFPNNHPEKKBOTM-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP COc1ccc(C)cc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000520192129 504431418 /nfs/dbraw/zinc/43/14/18/504431418.db2.gz ZQSRDYPLLJTISD-SFHVURJKSA-N 2 1 359.539 3.143 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000539075796 504465895 /nfs/dbraw/zinc/46/58/95/504465895.db2.gz LMTUHSTWIQORQR-BBWFWOEESA-N 2 1 359.514 3.111 20 0 FGADMP Cc1cccn2cc(CC(=O)NCc3cccc(C[N@H+](C)C(C)C)c3)nc12 ZINC000520357553 504476932 /nfs/dbraw/zinc/47/69/32/504476932.db2.gz BOJSSWZGUWZABJ-UHFFFAOYSA-N 2 1 364.493 3.342 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937455 504480737 /nfs/dbraw/zinc/48/07/37/504480737.db2.gz ASLGLAXJORVKID-UGKGYDQZSA-N 3 1 370.541 3.158 20 0 FGADMP C[C@H](c1ccccc1F)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000539148307 504487451 /nfs/dbraw/zinc/48/74/51/504487451.db2.gz LZWALLCSZCGYLX-KZNAEPCWSA-N 2 1 364.505 3.477 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc2cccnc12 ZINC000542463839 504500790 /nfs/dbraw/zinc/50/07/90/504500790.db2.gz BDHVONGILYKVTC-OAQYLSRUSA-N 2 1 352.526 3.145 20 0 FGADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc2cccnc12 ZINC000542463839 504500792 /nfs/dbraw/zinc/50/07/92/504500792.db2.gz BDHVONGILYKVTC-OAQYLSRUSA-N 2 1 352.526 3.145 20 0 FGADMP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535677596 504505040 /nfs/dbraw/zinc/50/50/40/504505040.db2.gz ZTOQZRAEUZOKDG-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535681295 504506454 /nfs/dbraw/zinc/50/64/54/504506454.db2.gz RZRHAFXNYLOZTE-LJQANCHMSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cnccn1 ZINC000539299132 504522945 /nfs/dbraw/zinc/52/29/45/504522945.db2.gz WDKZZTJQGYKIHJ-OTWHNJEPSA-N 2 1 368.525 3.337 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000532191752 504568029 /nfs/dbraw/zinc/56/80/29/504568029.db2.gz QDIYQXNIIKZQRX-LZQZEXGQSA-N 2 1 363.933 3.293 20 0 FGADMP C[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1cccs1 ZINC000542715951 504586213 /nfs/dbraw/zinc/58/62/13/504586213.db2.gz LGQAWUBWYVHIQJ-MGPUTAFESA-N 2 1 372.538 3.023 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@@H]1c1cccs1 ZINC000542715951 504586217 /nfs/dbraw/zinc/58/62/17/504586217.db2.gz LGQAWUBWYVHIQJ-MGPUTAFESA-N 2 1 372.538 3.023 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000535939323 504588175 /nfs/dbraw/zinc/58/81/75/504588175.db2.gz XONXZKXTZYXOFA-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CN(CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784989 504609812 /nfs/dbraw/zinc/60/98/12/504609812.db2.gz KXLWLVMPSWBUAH-AZUAARDMSA-N 2 1 372.900 3.123 20 0 FGADMP CN(CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)c1cc[nH+]cc1 ZINC000542784989 504609815 /nfs/dbraw/zinc/60/98/15/504609815.db2.gz KXLWLVMPSWBUAH-AZUAARDMSA-N 2 1 372.900 3.123 20 0 FGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000529341237 504639128 /nfs/dbraw/zinc/63/91/28/504639128.db2.gz PWFHOILVWCUQDL-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000521071597 504643176 /nfs/dbraw/zinc/64/31/76/504643176.db2.gz WLMVKOMTQITTBI-IBGZPJMESA-N 2 1 363.933 3.420 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532446879 504655105 /nfs/dbraw/zinc/65/51/05/504655105.db2.gz MTLTYWXETAGPGI-ATZDWAIDSA-N 2 1 363.933 3.293 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170749 504656135 /nfs/dbraw/zinc/65/61/35/504656135.db2.gz GUSIMWBNAULPDV-RTWAWAEBSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170749 504656145 /nfs/dbraw/zinc/65/61/45/504656145.db2.gz GUSIMWBNAULPDV-RTWAWAEBSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000536170749 504656154 /nfs/dbraw/zinc/65/61/54/504656154.db2.gz GUSIMWBNAULPDV-RTWAWAEBSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000521180744 504672235 /nfs/dbraw/zinc/67/22/35/504672235.db2.gz BGYRSKWLBSANOP-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1cccc(Cl)c1 ZINC000521180744 504672241 /nfs/dbraw/zinc/67/22/41/504672241.db2.gz BGYRSKWLBSANOP-SFHVURJKSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+](CCC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016249 504674929 /nfs/dbraw/zinc/67/49/29/504674929.db2.gz DEGRHIIXSOFPTK-OAQYLSRUSA-N 2 1 371.569 3.322 20 0 FGADMP C[NH+](CCC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016249 504674933 /nfs/dbraw/zinc/67/49/33/504674933.db2.gz DEGRHIIXSOFPTK-OAQYLSRUSA-N 2 1 371.569 3.322 20 0 FGADMP C[NH+](CCC(=O)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCCCC1 ZINC000546016249 504674939 /nfs/dbraw/zinc/67/49/39/504674939.db2.gz DEGRHIIXSOFPTK-OAQYLSRUSA-N 2 1 371.569 3.322 20 0 FGADMP C[C@@H](c1ccco1)N(C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000521198831 504676016 /nfs/dbraw/zinc/67/60/16/504676016.db2.gz GFIKOMLPUUMVBD-ROUUACIJSA-N 2 1 355.482 3.178 20 0 FGADMP C[C@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532514462 504678494 /nfs/dbraw/zinc/67/84/94/504678494.db2.gz KGUHHKJYZAXXEI-OXQOHEQNSA-N 2 1 371.550 3.166 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4[nH]cnc4c3)CC2)CC1 ZINC000539823353 504703972 /nfs/dbraw/zinc/70/39/72/504703972.db2.gz CSXDEJGPKWJEIH-UHFFFAOYSA-N 2 1 369.557 3.191 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc4nc[nH]c4c3)CC2)CC1 ZINC000539823353 504703977 /nfs/dbraw/zinc/70/39/77/504703977.db2.gz CSXDEJGPKWJEIH-UHFFFAOYSA-N 2 1 369.557 3.191 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccc4nc[nH]c4c3)CC2)CC1 ZINC000539823353 504703980 /nfs/dbraw/zinc/70/39/80/504703980.db2.gz CSXDEJGPKWJEIH-UHFFFAOYSA-N 2 1 369.557 3.191 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4[nH]cnc4c3)CC2)oc1C ZINC000521377197 504722866 /nfs/dbraw/zinc/72/28/66/504722866.db2.gz AKUUTPWPTOXQJR-UHFFFAOYSA-N 2 1 353.470 3.170 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4nc[nH]c4c3)CC2)oc1C ZINC000521377197 504722873 /nfs/dbraw/zinc/72/28/73/504722873.db2.gz AKUUTPWPTOXQJR-UHFFFAOYSA-N 2 1 353.470 3.170 20 0 FGADMP CC(C)[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)CC1CC1 ZINC000532665047 504729793 /nfs/dbraw/zinc/72/97/93/504729793.db2.gz BSCZARITHRHKHI-UHFFFAOYSA-N 2 1 361.555 3.294 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H](Cc2cccnc2)c2ccc(Cl)cc2)CC1 ZINC000546163660 504731520 /nfs/dbraw/zinc/73/15/20/504731520.db2.gz OPTXDFCCRZLOGI-NRFANRHFSA-N 2 1 373.928 3.455 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000532834083 504765395 /nfs/dbraw/zinc/76/53/95/504765395.db2.gz SGONNVVPYQLGBS-UHFFFAOYSA-N 2 1 374.573 3.461 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051668 504782211 /nfs/dbraw/zinc/78/22/11/504782211.db2.gz OSEDYOYAGNYOHV-ZWKOTPCHSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051668 504782213 /nfs/dbraw/zinc/78/22/13/504782213.db2.gz OSEDYOYAGNYOHV-ZWKOTPCHSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOC[C@H]3CCCO3)C2)s1 ZINC000565051668 504782216 /nfs/dbraw/zinc/78/22/16/504782216.db2.gz OSEDYOYAGNYOHV-ZWKOTPCHSA-N 2 1 352.544 3.006 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096894 504792700 /nfs/dbraw/zinc/79/27/00/504792700.db2.gz JLZAGNYWFIMYTB-NHCUHLMSSA-N 2 1 360.542 3.054 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)C1(CO)CCC1 ZINC000565096894 504792702 /nfs/dbraw/zinc/79/27/02/504792702.db2.gz JLZAGNYWFIMYTB-NHCUHLMSSA-N 2 1 360.542 3.054 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000556478137 504884462 /nfs/dbraw/zinc/88/44/62/504884462.db2.gz VZGIAWJWUXBOBI-FQEVSTJZSA-N 2 1 362.477 3.365 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000549755903 504889007 /nfs/dbraw/zinc/88/90/07/504889007.db2.gz NPSMZWRLPBKQLE-HNNXBMFYSA-N 2 1 358.461 3.201 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000549755903 504889009 /nfs/dbraw/zinc/88/90/09/504889009.db2.gz NPSMZWRLPBKQLE-HNNXBMFYSA-N 2 1 358.461 3.201 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841649 504914044 /nfs/dbraw/zinc/91/40/44/504914044.db2.gz XQWZHKDKCZVBPW-SJLPKXTDSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841649 504914045 /nfs/dbraw/zinc/91/40/45/504914045.db2.gz XQWZHKDKCZVBPW-SJLPKXTDSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841649 504914048 /nfs/dbraw/zinc/91/40/48/504914048.db2.gz XQWZHKDKCZVBPW-SJLPKXTDSA-N 2 1 356.432 3.027 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000559740030 504919666 /nfs/dbraw/zinc/91/96/66/504919666.db2.gz JSOZEBHMXKXKSB-DHIUTWEWSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000559740030 504919668 /nfs/dbraw/zinc/91/96/68/504919668.db2.gz JSOZEBHMXKXKSB-DHIUTWEWSA-N 2 1 364.537 3.471 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000565654951 504950401 /nfs/dbraw/zinc/95/04/01/504950401.db2.gz ZMPSTXLCMAVCCD-XLIONFOSSA-N 2 1 360.542 3.272 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1ccc2ccccc2n1 ZINC000562893132 504978332 /nfs/dbraw/zinc/97/83/32/504978332.db2.gz BQVQMROIYAJSLD-MRXNPFEDSA-N 2 1 350.466 3.421 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000556832951 504989160 /nfs/dbraw/zinc/98/91/60/504989160.db2.gz NTMJITHHEIFYLS-GOSISDBHSA-N 2 1 366.509 3.148 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000550238607 504999627 /nfs/dbraw/zinc/99/96/27/504999627.db2.gz KOOAKWSHCHPWGF-OFNKIYASSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000550238607 504999630 /nfs/dbraw/zinc/99/96/30/504999630.db2.gz KOOAKWSHCHPWGF-OFNKIYASSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238607 504999633 /nfs/dbraw/zinc/99/96/33/504999633.db2.gz KOOAKWSHCHPWGF-OFNKIYASSA-N 2 1 374.569 3.450 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000550238607 504999636 /nfs/dbraw/zinc/99/96/36/504999636.db2.gz KOOAKWSHCHPWGF-OFNKIYASSA-N 2 1 374.569 3.450 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553775237 505006164 /nfs/dbraw/zinc/00/61/64/505006164.db2.gz SHNHFOBQGVAGIA-QFUCXCTJSA-N 2 1 373.516 3.123 20 0 FGADMP O=C(CC[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)Nc1ccccc1 ZINC000562984396 505009974 /nfs/dbraw/zinc/00/99/74/505009974.db2.gz KGDPSMORIFPDIY-FQEVSTJZSA-N 2 1 351.494 3.169 20 0 FGADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000553875666 505030508 /nfs/dbraw/zinc/03/05/08/505030508.db2.gz KHQPRYNWRXHULS-ROUUACIJSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036129 505049285 /nfs/dbraw/zinc/04/92/85/505049285.db2.gz ZNGCVSKTFOYMNY-WBVHZDCISA-N 2 1 356.514 3.107 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000566084177 505075362 /nfs/dbraw/zinc/07/53/62/505075362.db2.gz UTAGCEVPQCBORG-VIQWUECVSA-N 2 1 372.557 3.482 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000566106731 505083333 /nfs/dbraw/zinc/08/33/33/505083333.db2.gz YGVJTEJRVQFWAO-NRFANRHFSA-N 2 1 365.477 3.278 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000554192599 505112805 /nfs/dbraw/zinc/11/28/05/505112805.db2.gz ZYFJOVPEAAUPPT-NLWGTHIKSA-N 2 1 360.546 3.017 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000560528244 505115876 /nfs/dbraw/zinc/11/58/76/505115876.db2.gz OGWGOBDBGJONRX-FNAHDJPLSA-N 2 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000560528244 505115877 /nfs/dbraw/zinc/11/58/77/505115877.db2.gz OGWGOBDBGJONRX-FNAHDJPLSA-N 3 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000560528244 505115878 /nfs/dbraw/zinc/11/58/78/505115878.db2.gz OGWGOBDBGJONRX-FNAHDJPLSA-N 3 1 359.558 3.158 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC(CC[NH3+])CC3)c2c1C ZINC000566314141 505141975 /nfs/dbraw/zinc/14/19/75/505141975.db2.gz CZBNVUAPDPRFQT-UHFFFAOYSA-N 2 1 373.570 3.469 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000560619471 505146279 /nfs/dbraw/zinc/14/62/79/505146279.db2.gz VGBFEEZYCFZPGN-HSZRJFAPSA-N 2 1 373.585 3.449 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000551111678 505159074 /nfs/dbraw/zinc/15/90/74/505159074.db2.gz NVZBNVNLMWHLGC-RTWAWAEBSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000551111678 505159077 /nfs/dbraw/zinc/15/90/77/505159077.db2.gz NVZBNVNLMWHLGC-RTWAWAEBSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000551111678 505159082 /nfs/dbraw/zinc/15/90/82/505159082.db2.gz NVZBNVNLMWHLGC-RTWAWAEBSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4ncccc4c3)CC2)CC1 ZINC000557562083 505168102 /nfs/dbraw/zinc/16/81/02/505168102.db2.gz CSVUBMDRTJEVJO-UHFFFAOYSA-N 2 1 366.509 3.370 20 0 FGADMP CCc1nc(NCCCOC2CC[NH+](Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000557631214 505187565 /nfs/dbraw/zinc/18/75/65/505187565.db2.gz RWJDCGSNCOKJDR-UHFFFAOYSA-N 2 1 368.525 3.253 20 0 FGADMP COc1cc(F)c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000560897417 505208957 /nfs/dbraw/zinc/20/89/57/505208957.db2.gz FGLYQCFFGWBJFX-XHSDSOJGSA-N 2 1 368.493 3.383 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000566614440 505223151 /nfs/dbraw/zinc/22/31/51/505223151.db2.gz UZPDXWGXLLTAGH-ZIPUMODLSA-N 2 1 351.494 3.010 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881273 505265607 /nfs/dbraw/zinc/26/56/07/505265607.db2.gz FDPWHKLUVVXKDJ-DNVCBOLYSA-N 2 1 358.511 3.144 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccnc2)[C@@H]1c1cccs1 ZINC000563881273 505265612 /nfs/dbraw/zinc/26/56/12/505265612.db2.gz FDPWHKLUVVXKDJ-DNVCBOLYSA-N 2 1 358.511 3.144 20 0 FGADMP Cc1[nH+]cc2n1C[C@H](C(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1)CC2 ZINC000561206379 505279997 /nfs/dbraw/zinc/27/99/97/505279997.db2.gz QQMAUZBJKGXIQS-CTNGQTDRSA-N 2 1 366.509 3.016 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000558043333 505294956 /nfs/dbraw/zinc/29/49/56/505294956.db2.gz XHIFKUORDGCKBS-XLIONFOSSA-N 2 1 358.530 3.253 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@]1(C)CCCO1 ZINC000566870582 505296509 /nfs/dbraw/zinc/29/65/09/505296509.db2.gz ZTFBSBJWWCDUMD-BVSLBCMMSA-N 2 1 372.553 3.462 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC000564029416 505305600 /nfs/dbraw/zinc/30/56/00/505305600.db2.gz MCCRDYLNIHVWFL-LJQANCHMSA-N 2 1 374.529 3.168 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)c(C)c1OC ZINC000564104878 505327149 /nfs/dbraw/zinc/32/71/49/505327149.db2.gz KRBXMDPONXXRRT-UHFFFAOYSA-N 2 1 370.493 3.134 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000567046557 505348455 /nfs/dbraw/zinc/34/84/55/505348455.db2.gz GUPNELKWDTWWSJ-ZYSHUDEJSA-N 2 1 357.523 3.256 20 0 FGADMP C[C@@H](CCc1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000567085681 505359782 /nfs/dbraw/zinc/35/97/82/505359782.db2.gz DZSHPUXMGLKGNM-ATNRPFFGSA-N 2 1 355.570 3.498 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000561541609 505373209 /nfs/dbraw/zinc/37/32/09/505373209.db2.gz KQMIIJUBDRDSKO-RTBURBONSA-N 2 1 372.538 3.063 20 0 FGADMP CNC(=O)C[C@@H](C)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555233287 505386265 /nfs/dbraw/zinc/38/62/65/505386265.db2.gz UFNHQKYIRRECKN-YJIIUURMSA-N 2 1 363.933 3.368 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344366 505390316 /nfs/dbraw/zinc/39/03/16/505390316.db2.gz PZKWDFZOAWHYGJ-AEFFLSMTSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344366 505390319 /nfs/dbraw/zinc/39/03/19/505390319.db2.gz PZKWDFZOAWHYGJ-AEFFLSMTSA-N 2 1 359.514 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCCC(=O)Nc2ccccc2C(C)=O)C[C@H]1C ZINC000564344366 505390323 /nfs/dbraw/zinc/39/03/23/505390323.db2.gz PZKWDFZOAWHYGJ-AEFFLSMTSA-N 2 1 359.514 3.413 20 0 FGADMP COCC[NH+]1CCC([NH2+]C/C(C)=C\c2ccccc2OC(F)F)CC1 ZINC000558491183 505407085 /nfs/dbraw/zinc/40/70/85/505407085.db2.gz ZXWALEKBXADMAV-SQFISAMPSA-N 2 1 354.441 3.392 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C3CC3)c1)C2 ZINC000558554929 505422201 /nfs/dbraw/zinc/42/22/01/505422201.db2.gz SQPSWVSFHQJQIL-KRWDZBQOSA-N 2 1 352.482 3.029 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(CC[N@H+](C)C3CC3)c1)C2 ZINC000558554929 505422204 /nfs/dbraw/zinc/42/22/04/505422204.db2.gz SQPSWVSFHQJQIL-KRWDZBQOSA-N 2 1 352.482 3.029 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000564500170 505434911 /nfs/dbraw/zinc/43/49/11/505434911.db2.gz STUFUXUEUAFOSP-VQTJNVASSA-N 2 1 368.525 3.347 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000564500170 505434913 /nfs/dbraw/zinc/43/49/13/505434913.db2.gz STUFUXUEUAFOSP-VQTJNVASSA-N 2 1 368.525 3.347 20 0 FGADMP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552245003 505439688 /nfs/dbraw/zinc/43/96/88/505439688.db2.gz QBDLODSKGPQEED-KJJMTIBFSA-N 2 1 360.542 3.054 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)[C@@H]2CCC[C@H]21 ZINC000552281956 505449548 /nfs/dbraw/zinc/44/95/48/505449548.db2.gz PXDQGJFURQETFQ-HRCADAONSA-N 2 1 357.420 3.028 20 0 FGADMP C[NH+](C)C[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000562055794 505504940 /nfs/dbraw/zinc/50/49/40/505504940.db2.gz LBWGYINVFBDGAN-OAQYLSRUSA-N 2 1 356.489 3.078 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000567608889 505512900 /nfs/dbraw/zinc/51/29/00/505512900.db2.gz SXRDAORJPNWBIP-QHCPKHFHSA-N 2 1 365.521 3.074 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000567680716 505534156 /nfs/dbraw/zinc/53/41/56/505534156.db2.gz CXQJUDOQZIUBOW-ICSRJNTNSA-N 2 1 356.510 3.290 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](n3cc(C)cn3)C2)CC1 ZINC000562213497 505541956 /nfs/dbraw/zinc/54/19/56/505541956.db2.gz KROPEIJHZBNADW-OAQYLSRUSA-N 2 1 367.541 3.171 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000564924575 505559259 /nfs/dbraw/zinc/55/92/59/505559259.db2.gz MCGJFZNYVNIELC-KKSFZXQISA-N 2 1 367.493 3.354 20 0 FGADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000564936553 505561418 /nfs/dbraw/zinc/56/14/18/505561418.db2.gz MSPBVTXGZKYELG-MQVJKMGUSA-N 2 1 362.543 3.378 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)cc1 ZINC000564993636 505566211 /nfs/dbraw/zinc/56/62/11/505566211.db2.gz JECTVQPXTNMAAO-QFIPXVFZSA-N 2 1 365.521 3.162 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cc1 ZINC000564993636 505566213 /nfs/dbraw/zinc/56/62/13/505566213.db2.gz JECTVQPXTNMAAO-QFIPXVFZSA-N 2 1 365.521 3.162 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]21 ZINC000567871984 505569584 /nfs/dbraw/zinc/56/95/84/505569584.db2.gz NAQLAJPNIXKZNO-CWRNSKLLSA-N 2 1 357.479 3.098 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccc5c(c4)OCO5)n3)C[C@@H]21 ZINC000567871984 505569585 /nfs/dbraw/zinc/56/95/85/505569585.db2.gz NAQLAJPNIXKZNO-CWRNSKLLSA-N 2 1 357.479 3.098 20 0 FGADMP C[N@@H+](CCCCCc1cc(-c2cccc(F)c2)no1)CCN1CC[NH2+]CC1 ZINC000567896397 505570429 /nfs/dbraw/zinc/57/04/29/505570429.db2.gz GAXQTASHCVMCBU-UHFFFAOYSA-N 2 1 374.504 3.031 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000599291599 506399698 /nfs/dbraw/zinc/39/96/98/506399698.db2.gz GDFPURZFGDEOPI-QZTJIDSGSA-N 2 1 351.922 3.323 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OCc1cccnc1 ZINC000608061144 506403343 /nfs/dbraw/zinc/40/33/43/506403343.db2.gz AKAKICCLWBBBMI-APWZRJJASA-N 2 1 355.482 3.242 20 0 FGADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OCc1cccnc1 ZINC000608061144 506403350 /nfs/dbraw/zinc/40/33/50/506403350.db2.gz AKAKICCLWBBBMI-APWZRJJASA-N 2 1 355.482 3.242 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000608067791 506405542 /nfs/dbraw/zinc/40/55/42/506405542.db2.gz SFBQXIXWNPZNLT-IUODEOHRSA-N 2 1 369.303 3.040 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000608067791 506405545 /nfs/dbraw/zinc/40/55/45/506405545.db2.gz SFBQXIXWNPZNLT-IUODEOHRSA-N 2 1 369.303 3.040 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000599314020 506409631 /nfs/dbraw/zinc/40/96/31/506409631.db2.gz IGFKMZVTYFVPMP-LVCYWYKZSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000599314020 506409634 /nfs/dbraw/zinc/40/96/34/506409634.db2.gz IGFKMZVTYFVPMP-LVCYWYKZSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000599314020 506409639 /nfs/dbraw/zinc/40/96/39/506409639.db2.gz IGFKMZVTYFVPMP-LVCYWYKZSA-N 2 1 357.542 3.265 20 0 FGADMP COC(=O)c1ccc(C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)nc1 ZINC000599450139 506461665 /nfs/dbraw/zinc/46/16/65/506461665.db2.gz NMQKBPVFLIIGQR-UHFFFAOYSA-N 2 1 367.493 3.486 20 0 FGADMP COC(=O)c1ccc(C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)nc1 ZINC000599450139 506461670 /nfs/dbraw/zinc/46/16/70/506461670.db2.gz NMQKBPVFLIIGQR-UHFFFAOYSA-N 2 1 367.493 3.486 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000596650975 506511514 /nfs/dbraw/zinc/51/15/14/506511514.db2.gz MXGZZVHKVQYEJC-NEPJUHHUSA-N 2 1 364.658 3.304 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2I)C1 ZINC000596650978 506511662 /nfs/dbraw/zinc/51/16/62/506511662.db2.gz MXGZZVHKVQYEJC-VXGBXAGGSA-N 2 1 364.658 3.304 20 0 FGADMP FC(F)(F)COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517210 506540318 /nfs/dbraw/zinc/54/03/18/506540318.db2.gz INZPJSRJINKVHC-GOSISDBHSA-N 2 1 372.431 3.361 20 0 FGADMP CCC(CC)(CNC(=O)N[C@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603593415 506569484 /nfs/dbraw/zinc/56/94/84/506569484.db2.gz GYSMHZCPCJAWJU-HKUYNNGSSA-N 2 1 360.546 3.289 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501161 506590755 /nfs/dbraw/zinc/59/07/55/506590755.db2.gz GUAGWWFADUYXFZ-DHIUTWEWSA-N 2 1 368.521 3.018 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501161 506590769 /nfs/dbraw/zinc/59/07/69/506590769.db2.gz GUAGWWFADUYXFZ-DHIUTWEWSA-N 2 1 368.521 3.018 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501161 506590777 /nfs/dbraw/zinc/59/07/77/506590777.db2.gz GUAGWWFADUYXFZ-DHIUTWEWSA-N 2 1 368.521 3.018 20 0 FGADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000608501161 506590780 /nfs/dbraw/zinc/59/07/80/506590780.db2.gz GUAGWWFADUYXFZ-DHIUTWEWSA-N 2 1 368.521 3.018 20 0 FGADMP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510644 506595252 /nfs/dbraw/zinc/59/52/52/506595252.db2.gz KBGDTSQACCYHDL-VQTJNVASSA-N 2 1 352.478 3.280 20 0 FGADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510644 506595254 /nfs/dbraw/zinc/59/52/54/506595254.db2.gz KBGDTSQACCYHDL-VQTJNVASSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510644 506595255 /nfs/dbraw/zinc/59/52/55/506595255.db2.gz KBGDTSQACCYHDL-VQTJNVASSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1COc2ccccc2O1 ZINC000608510644 506595258 /nfs/dbraw/zinc/59/52/58/506595258.db2.gz KBGDTSQACCYHDL-VQTJNVASSA-N 2 1 352.478 3.280 20 0 FGADMP Cc1ccc(CCC[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000583232284 506662318 /nfs/dbraw/zinc/66/23/18/506662318.db2.gz UFPLJIYUJFHPBD-UHFFFAOYSA-N 2 1 366.553 3.072 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000583282327 506694724 /nfs/dbraw/zinc/69/47/24/506694724.db2.gz WRYMIYYUQYOJRH-HOJAQTOUSA-N 2 1 368.500 3.442 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ncccc3F)C2)CC[N@H+]1Cc1ccccc1 ZINC000583282327 506694730 /nfs/dbraw/zinc/69/47/30/506694730.db2.gz WRYMIYYUQYOJRH-HOJAQTOUSA-N 2 1 368.500 3.442 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000604171468 506734503 /nfs/dbraw/zinc/73/45/03/506734503.db2.gz NUINIBVQJFKXDR-WOJBJXKFSA-N 2 1 374.573 3.331 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604171436 506734809 /nfs/dbraw/zinc/73/48/09/506734809.db2.gz KWQFAVUUQZGZJW-FPOVZHCZSA-N 2 1 372.557 3.245 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195897 506746972 /nfs/dbraw/zinc/74/69/72/506746972.db2.gz WYJMGMYGJJPOSM-LEWJYISDSA-N 2 1 372.557 3.387 20 0 FGADMP CN(CC[N@@H+](C)Cc1cccc(-c2ccccn2)c1)C1CC[NH+](C)CC1 ZINC000583527061 506828072 /nfs/dbraw/zinc/82/80/72/506828072.db2.gz MBPKPZLKFYXMMM-UHFFFAOYSA-N 2 1 352.526 3.206 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000612975574 506846776 /nfs/dbraw/zinc/84/67/76/506846776.db2.gz DUWUNLRDIQZFBM-FQEVSTJZSA-N 2 1 372.557 3.250 20 0 FGADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604656139 506903326 /nfs/dbraw/zinc/90/33/26/506903326.db2.gz CYIFTPMVNDXWJB-FPOVZHCZSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+](C)Cc1ccccc1 ZINC000604784941 506943156 /nfs/dbraw/zinc/94/31/56/506943156.db2.gz HTRIHBKJLMCYFF-PKOBYXMFSA-N 2 1 362.562 3.173 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(Cl)cc2)CC1 ZINC000590786777 506957774 /nfs/dbraw/zinc/95/77/74/506957774.db2.gz MMMMCCCVFAEFBZ-INIZCTEOSA-N 2 1 365.949 3.397 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000600887429 507161896 /nfs/dbraw/zinc/16/18/96/507161896.db2.gz KIOWWDJOXJGVEP-QUCCMNQESA-N 2 1 374.573 3.489 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000591573621 507297381 /nfs/dbraw/zinc/29/73/81/507297381.db2.gz GCUCLVIFIAPHMY-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595015364 507356054 /nfs/dbraw/zinc/35/60/54/507356054.db2.gz CQTTUJQKKRONGT-LRDDRELGSA-N 2 1 370.278 3.210 20 0 FGADMP CCOC(=O)c1ccc(-c2ccc(C[NH2+]CC3=CC[N@@H+](C)CC3)o2)cc1 ZINC000614243330 507423440 /nfs/dbraw/zinc/42/34/40/507423440.db2.gz HLMNCMZMMPQTHD-UHFFFAOYSA-N 2 1 354.450 3.475 20 0 FGADMP Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CCC[C@H](CC[NH3+])C3)s2)c1 ZINC000584781807 507501194 /nfs/dbraw/zinc/50/11/94/507501194.db2.gz RANZYYQEVCLARX-MRXNPFEDSA-N 2 1 372.538 3.042 20 0 FGADMP Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CCC[C@H](CC[NH3+])C3)s2)c1 ZINC000584781807 507501199 /nfs/dbraw/zinc/50/11/99/507501199.db2.gz RANZYYQEVCLARX-MRXNPFEDSA-N 2 1 372.538 3.042 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000584799510 507510981 /nfs/dbraw/zinc/51/09/81/507510981.db2.gz LKDNMDYDOUQCMW-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1C ZINC000602012307 507553554 /nfs/dbraw/zinc/55/35/54/507553554.db2.gz MGMJAVOAKYEFPP-AWEZNQCLSA-N 2 1 352.438 3.157 20 0 FGADMP C[C@H]([NH2+]C1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CCCC1)c1ccccc1 ZINC000606913124 507555314 /nfs/dbraw/zinc/55/53/14/507555314.db2.gz HEYBSERPIWOXIC-ZWKOTPCHSA-N 2 1 353.514 3.178 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283585 507677158 /nfs/dbraw/zinc/67/71/58/507677158.db2.gz JNHDSGWAVBIHSF-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283585 507677163 /nfs/dbraw/zinc/67/71/63/507677163.db2.gz JNHDSGWAVBIHSF-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000607283585 507677169 /nfs/dbraw/zinc/67/71/69/507677169.db2.gz JNHDSGWAVBIHSF-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000607283585 507677174 /nfs/dbraw/zinc/67/71/74/507677174.db2.gz JNHDSGWAVBIHSF-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1c(NC[C@H]2CC[NH+]2C(C)(C)C)ncnc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000630095184 522615226 /nfs/dbraw/zinc/61/52/26/522615226.db2.gz VPRUDMBMYSRSBL-CALCHBBNSA-N 2 1 374.577 3.354 20 0 FGADMP Cc1c(NC[C@H]2CC[N@@H+]2C(C)(C)C)ncnc1NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000630095184 522615230 /nfs/dbraw/zinc/61/52/30/522615230.db2.gz VPRUDMBMYSRSBL-CALCHBBNSA-N 2 1 374.577 3.354 20 0 FGADMP Cc1c(NC[C@H]2CC[N@H+]2C(C)(C)C)ncnc1NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000630095184 522615234 /nfs/dbraw/zinc/61/52/34/522615234.db2.gz VPRUDMBMYSRSBL-CALCHBBNSA-N 2 1 374.577 3.354 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000669117842 568042706 /nfs/dbraw/zinc/04/27/06/568042706.db2.gz ULORBMAMQCJHLM-FXAWDEMLSA-N 2 1 358.530 3.002 20 0 FGADMP C[NH+](C)C1CC[NH+](Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC1 ZINC000825856084 607484032 /nfs/dbraw/zinc/48/40/32/607484032.db2.gz NILQKBBYJJNMGC-UHFFFAOYSA-N 2 1 362.481 3.060 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21)C(C)C ZINC000824288475 608515901 /nfs/dbraw/zinc/51/59/01/608515901.db2.gz IBNRJAKIPUHNFI-IBGZPJMESA-N 2 1 356.518 3.343 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859914 700219171 /nfs/dbraw/zinc/21/91/71/700219171.db2.gz KCAYHOSZXFBXSY-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859914 700219174 /nfs/dbraw/zinc/21/91/74/700219174.db2.gz KCAYHOSZXFBXSY-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000075859914 700219176 /nfs/dbraw/zinc/21/91/76/700219176.db2.gz KCAYHOSZXFBXSY-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571049 700337938 /nfs/dbraw/zinc/33/79/38/700337938.db2.gz KPHJCBUELCULDO-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571049 700337941 /nfs/dbraw/zinc/33/79/41/700337941.db2.gz KPHJCBUELCULDO-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571049 700337945 /nfs/dbraw/zinc/33/79/45/700337945.db2.gz KPHJCBUELCULDO-ZWKOTPCHSA-N 2 1 353.551 3.297 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCNC(=O)C(F)(F)F)CC1 ZINC000091592785 700422527 /nfs/dbraw/zinc/42/25/27/700422527.db2.gz PWSQBUGXARHLRK-HNNXBMFYSA-N 2 1 363.468 3.032 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000105443804 700501070 /nfs/dbraw/zinc/50/10/70/700501070.db2.gz VGMNGEBVSWZCSU-NSHDSACASA-N 2 1 366.259 3.109 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401741 704961556 /nfs/dbraw/zinc/96/15/56/704961556.db2.gz PHDURXYTUYYTMG-JKSUJKDBSA-N 2 1 363.933 3.312 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401741 704961559 /nfs/dbraw/zinc/96/15/59/704961559.db2.gz PHDURXYTUYYTMG-JKSUJKDBSA-N 2 1 363.933 3.312 20 0 FGADMP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183143409 705879574 /nfs/dbraw/zinc/87/95/74/705879574.db2.gz JZVYTMNWGDVJLK-UVPKRVSESA-N 2 1 362.583 3.424 20 0 FGADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192670524 712869986 /nfs/dbraw/zinc/86/99/86/712869986.db2.gz JUWDTROXFXYUMO-QWHCGFSZSA-N 2 1 360.329 3.376 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000245588070 713607743 /nfs/dbraw/zinc/60/77/43/713607743.db2.gz NOTJBOFJVSZYIL-APWZRJJASA-N 2 1 358.555 3.481 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000248667098 713656142 /nfs/dbraw/zinc/65/61/42/713656142.db2.gz PGRDKAYGDWWBKW-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000271556263 713753206 /nfs/dbraw/zinc/75/32/06/713753206.db2.gz VVVSKRXCSVMADV-FGTMMUONSA-N 2 1 350.503 3.330 20 0 FGADMP C[NH+](C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CCCC1 ZINC000301719276 713782329 /nfs/dbraw/zinc/78/23/29/713782329.db2.gz DCAPEWRCKAHFEZ-ALOPSCKCSA-N 2 1 351.535 3.381 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000310608323 713799957 /nfs/dbraw/zinc/79/99/57/713799957.db2.gz BHEHLWKKTGRMHN-LLVKDONJSA-N 2 1 355.223 3.147 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000317665647 713807935 /nfs/dbraw/zinc/80/79/35/713807935.db2.gz DXAPSZKOCHCFSW-KXIUCKCTSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1cccc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000317665647 713807940 /nfs/dbraw/zinc/80/79/40/713807940.db2.gz DXAPSZKOCHCFSW-KXIUCKCTSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000317840129 713808336 /nfs/dbraw/zinc/80/83/36/713808336.db2.gz XKUCNGNQDCSYBR-XAWIXRBMSA-N 2 1 365.315 3.148 20 0 FGADMP Brc1ccc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000317840129 713808341 /nfs/dbraw/zinc/80/83/41/713808341.db2.gz XKUCNGNQDCSYBR-XAWIXRBMSA-N 2 1 365.315 3.148 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462084 713982149 /nfs/dbraw/zinc/98/21/49/713982149.db2.gz BAXBERLKXYAXQN-KZNAEPCWSA-N 2 1 353.551 3.484 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@](C)(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000385979339 713984256 /nfs/dbraw/zinc/98/42/56/713984256.db2.gz NWBRRJIRQYMPMU-MBOZVWFJSA-N 2 1 351.535 3.240 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]C1(Cc2ccc(F)cc2Cl)CCOCC1 ZINC000459488427 714069296 /nfs/dbraw/zinc/06/92/96/714069296.db2.gz OAOPVHJITHRFML-UHFFFAOYSA-N 2 1 351.853 3.137 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000521919705 714156237 /nfs/dbraw/zinc/15/62/37/714156237.db2.gz ZHMWBYZPSXUUCW-IBGZPJMESA-N 2 1 359.901 3.191 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)Cc1ccccc1)c1cccc(Cl)c1 ZINC000521919705 714156240 /nfs/dbraw/zinc/15/62/40/714156240.db2.gz ZHMWBYZPSXUUCW-IBGZPJMESA-N 2 1 359.901 3.191 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000522411797 714187088 /nfs/dbraw/zinc/18/70/88/714187088.db2.gz IWCOJRWEWFKMQX-KRWDZBQOSA-N 2 1 366.575 3.161 20 0 FGADMP C[N@H+](Cc1ccc(I)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000525274797 714339547 /nfs/dbraw/zinc/33/95/47/714339547.db2.gz KVGPHHSPJFRLTE-AWEZNQCLSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1ccc(I)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000525274797 714339552 /nfs/dbraw/zinc/33/95/52/714339552.db2.gz KVGPHHSPJFRLTE-AWEZNQCLSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1ccc(I)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000525274797 714339557 /nfs/dbraw/zinc/33/95/57/714339557.db2.gz KVGPHHSPJFRLTE-AWEZNQCLSA-N 2 1 358.267 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncsc1C(C)C ZINC000577022988 714460725 /nfs/dbraw/zinc/46/07/25/714460725.db2.gz TWLCJMUGWXRQJT-HNNXBMFYSA-N 2 1 367.563 3.146 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104812 714960407 /nfs/dbraw/zinc/96/04/07/714960407.db2.gz FJMBWJZFNUXMBR-LPHOPBHVSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000621104812 714960408 /nfs/dbraw/zinc/96/04/08/714960408.db2.gz FJMBWJZFNUXMBR-LPHOPBHVSA-N 2 1 363.933 3.181 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cncc(Cl)c3)CC2)CC1 ZINC000621262366 714975216 /nfs/dbraw/zinc/97/52/16/714975216.db2.gz ZJEXPNCOFILUER-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]C1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000621661497 715014840 /nfs/dbraw/zinc/01/48/40/715014840.db2.gz SIRXHDUYOBKQPL-HNNXBMFYSA-N 2 1 350.532 3.237 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384103 715323291 /nfs/dbraw/zinc/32/32/91/715323291.db2.gz OUWHEOIWXURNBC-OALUTQOASA-N 2 1 365.949 3.176 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccc(Br)cc2)CC1(C)C ZINC000623392699 715325379 /nfs/dbraw/zinc/32/53/79/715325379.db2.gz NAWCVZFWFIMTIL-OAHLLOKOSA-N 2 1 368.319 3.240 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCc3scnc32)c2cccs2)CC1 ZINC000623848911 715414659 /nfs/dbraw/zinc/41/46/59/715414659.db2.gz OPGURAZVTDFDFZ-GJZGRUSLSA-N 2 1 362.568 3.160 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCCO3)CC2)cs1 ZINC000623892565 715426273 /nfs/dbraw/zinc/42/62/73/715426273.db2.gz SYXKHKNUXAAPDK-MAUKXSAKSA-N 2 1 351.560 3.465 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121306 715477548 /nfs/dbraw/zinc/47/75/48/715477548.db2.gz SVZKIDAQZAXBIK-SJLPKXTDSA-N 2 1 365.949 3.399 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000624255874 715500859 /nfs/dbraw/zinc/50/08/59/715500859.db2.gz WNLBGFKUWDSSGZ-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000624255874 715500861 /nfs/dbraw/zinc/50/08/61/715500861.db2.gz WNLBGFKUWDSSGZ-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000624255874 715500863 /nfs/dbraw/zinc/50/08/63/715500863.db2.gz WNLBGFKUWDSSGZ-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255874 715500864 /nfs/dbraw/zinc/50/08/64/715500864.db2.gz WNLBGFKUWDSSGZ-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1 ZINC000624255874 715500866 /nfs/dbraw/zinc/50/08/66/715500866.db2.gz WNLBGFKUWDSSGZ-CEXWTWQISA-N 2 1 361.917 3.047 20 0 FGADMP FC(F)(F)c1cccc(CC[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000628328700 716139374 /nfs/dbraw/zinc/13/93/74/716139374.db2.gz SUTJDCDVHIOICD-SFHVURJKSA-N 2 1 356.432 3.435 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629657376 716331380 /nfs/dbraw/zinc/33/13/80/716331380.db2.gz XBJWYRFAMWPQCT-DOMZBBRYSA-N 2 1 356.367 3.175 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629657376 716331406 /nfs/dbraw/zinc/33/14/06/716331406.db2.gz XBJWYRFAMWPQCT-DOMZBBRYSA-N 2 1 356.367 3.175 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000631838960 716687560 /nfs/dbraw/zinc/68/75/60/716687560.db2.gz XNLIYWHLVDBXEH-DGCLKSJQSA-N 2 1 350.260 3.131 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C[C@H]1C[NH3+] ZINC000631838960 716687562 /nfs/dbraw/zinc/68/75/62/716687562.db2.gz XNLIYWHLVDBXEH-DGCLKSJQSA-N 2 1 350.260 3.131 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3csc(C)c3C)CC2)CC1 ZINC000633971996 717017100 /nfs/dbraw/zinc/01/71/00/717017100.db2.gz BRRPPUZIWPIKGE-UHFFFAOYSA-N 2 1 363.571 3.177 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682374 717589908 /nfs/dbraw/zinc/58/99/08/717589908.db2.gz VFIBHSOWBFUQDA-CQSZACIVSA-N 2 1 355.467 3.466 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682374 717589913 /nfs/dbraw/zinc/58/99/13/717589913.db2.gz VFIBHSOWBFUQDA-CQSZACIVSA-N 2 1 355.467 3.466 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000644530066 718119193 /nfs/dbraw/zinc/11/91/93/718119193.db2.gz LTZJXHYBJJHJOI-KBPBESRZSA-N 2 1 361.313 3.055 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000804126608 724487953 /nfs/dbraw/zinc/48/79/53/724487953.db2.gz ARAORJLBUSEYGY-KRWDZBQOSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+](CCC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645839681 718245568 /nfs/dbraw/zinc/24/55/68/718245568.db2.gz XSLYWQBDBJCGRR-NJDAHSKKSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@@H]1CCC[N@H+](CCC[C@@H]2CCOC2)CC1 ZINC000645839681 718245570 /nfs/dbraw/zinc/24/55/70/718245570.db2.gz XSLYWQBDBJCGRR-NJDAHSKKSA-N 2 1 352.563 3.406 20 0 FGADMP C[NH+](CCC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CCC[C@@H]2CCOC2)CC1 ZINC000645839681 718245573 /nfs/dbraw/zinc/24/55/73/718245573.db2.gz XSLYWQBDBJCGRR-NJDAHSKKSA-N 2 1 352.563 3.406 20 0 FGADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235886 718341760 /nfs/dbraw/zinc/34/17/60/718341760.db2.gz JBTDDCMWHBSONU-VYDXJSESSA-N 2 1 358.404 3.225 20 0 FGADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235886 718341762 /nfs/dbraw/zinc/34/17/62/718341762.db2.gz JBTDDCMWHBSONU-VYDXJSESSA-N 2 1 358.404 3.225 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480146 718363513 /nfs/dbraw/zinc/36/35/13/718363513.db2.gz COUCIPZUWNPSGX-GOEBONIOSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(SC)cc1OC ZINC000647480146 718363514 /nfs/dbraw/zinc/36/35/14/718363514.db2.gz COUCIPZUWNPSGX-GOEBONIOSA-N 2 1 350.528 3.390 20 0 FGADMP Cc1nn2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c(C(C)C)nc2s1 ZINC000647544028 718366794 /nfs/dbraw/zinc/36/67/94/718366794.db2.gz VPGSLNZGUCOHGR-JKSUJKDBSA-N 2 1 361.559 3.434 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901191 718385293 /nfs/dbraw/zinc/38/52/93/718385293.db2.gz KQFAPMRUPNOASB-GDBMZVCRSA-N 2 1 365.905 3.141 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902062 718385483 /nfs/dbraw/zinc/38/54/83/718385483.db2.gz ZIHIJOCKJJSPPF-XJKSGUPXSA-N 2 1 353.869 3.272 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nn2)cc1 ZINC000647978647 718391710 /nfs/dbraw/zinc/39/17/10/718391710.db2.gz WHAMQBLPHLKSSP-JKSUJKDBSA-N 2 1 359.905 3.132 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476280 718430723 /nfs/dbraw/zinc/43/07/23/718430723.db2.gz PBYVBXPFYMYPJQ-QZTJIDSGSA-N 2 1 363.889 3.339 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc3cc(Cl)cnc3o2)CC1 ZINC000648476282 718430769 /nfs/dbraw/zinc/43/07/69/718430769.db2.gz PBYVBXPFYMYPJQ-ZWKOTPCHSA-N 2 1 363.889 3.339 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1Cl ZINC000648724378 718446739 /nfs/dbraw/zinc/44/67/39/718446739.db2.gz VXFMPNMQTZYCOU-IIDMSEBBSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288277 718501147 /nfs/dbraw/zinc/50/11/47/718501147.db2.gz HHCCCFOEDCFUJG-YOEHRIQHSA-N 2 1 351.441 3.244 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649311554 718503451 /nfs/dbraw/zinc/50/34/51/718503451.db2.gz ZFEAMDCAHLFXLJ-GPMSIDNRSA-N 2 1 363.933 3.453 20 0 FGADMP C[C@H]1COCCCN1Cc1cc(C[N@H+]2CCCOC[C@@H]2C)ccc1F ZINC000649391552 718510724 /nfs/dbraw/zinc/51/07/24/718510724.db2.gz QOJUTXDCFQXQCR-IRXDYDNUSA-N 2 1 350.478 3.047 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Cl)c1OC ZINC000650706343 718716759 /nfs/dbraw/zinc/71/67/59/718716759.db2.gz IZFNDOKZXDROJL-LXZKKBNFSA-N 2 1 368.905 3.076 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1Br ZINC000650707719 718717582 /nfs/dbraw/zinc/71/75/82/718717582.db2.gz LTKMHAQGUFNNOF-LZLYRXPVSA-N 2 1 367.331 3.476 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707928 718717733 /nfs/dbraw/zinc/71/77/33/718717733.db2.gz QDICMGHYXICPAE-QILLFSRXSA-N 2 1 352.906 3.457 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707485 718717761 /nfs/dbraw/zinc/71/77/61/718717761.db2.gz HAXHHTZNFKRYCA-ZQIUZPCESA-N 2 1 361.511 3.023 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725290 718721364 /nfs/dbraw/zinc/72/13/64/718721364.db2.gz XQGSKZXEDANDLL-FMKPAKJESA-N 2 1 369.303 3.016 20 0 FGADMP CC[N@@H+](CCCNC(=O)NCC[C@H]1CCC[NH+](C)C1)C1CCCCC1 ZINC000651153076 718774210 /nfs/dbraw/zinc/77/42/10/718774210.db2.gz YJHSZKUXQDOCBW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NCC[C@H]1CCC[N@H+](C)C1)C1CCCCC1 ZINC000651153076 718774213 /nfs/dbraw/zinc/77/42/13/718774213.db2.gz YJHSZKUXQDOCBW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CCCCC1 ZINC000651153076 718774215 /nfs/dbraw/zinc/77/42/15/718774215.db2.gz YJHSZKUXQDOCBW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651706198 718853138 /nfs/dbraw/zinc/85/31/38/718853138.db2.gz WGZVKSBGSKBACM-KRWDZBQOSA-N 2 1 353.913 3.330 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355300 718936396 /nfs/dbraw/zinc/93/63/96/718936396.db2.gz UDWFPOXTIBJOQF-RKVPGOIHSA-N 2 1 351.922 3.309 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362933 718936773 /nfs/dbraw/zinc/93/67/73/718936773.db2.gz SYQWOANSLMKLEB-BRWVUGGUSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(Br)c2)C1 ZINC000652362933 718936776 /nfs/dbraw/zinc/93/67/76/718936776.db2.gz SYQWOANSLMKLEB-BRWVUGGUSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000652361661 718936870 /nfs/dbraw/zinc/93/68/70/718936870.db2.gz LXPKQQBRJXTVMN-BPQIPLTHSA-N 2 1 365.905 3.029 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363960 718937323 /nfs/dbraw/zinc/93/73/23/718937323.db2.gz SVBLBJTXLYXISB-JLZZUVOBSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(F)cccc2Br)C1 ZINC000652363960 718937325 /nfs/dbraw/zinc/93/73/25/718937325.db2.gz SVBLBJTXLYXISB-JLZZUVOBSA-N 2 1 371.294 3.449 20 0 FGADMP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000652870827 718986696 /nfs/dbraw/zinc/98/66/96/718986696.db2.gz MJHRJXYAANAMRT-IBGZPJMESA-N 2 1 359.539 3.440 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c2ncnc1-2 ZINC001164628844 719085588 /nfs/dbraw/zinc/08/55/88/719085588.db2.gz OZGWKNYTTLVPFQ-LSDHHAIUSA-N 2 1 368.872 3.107 20 0 FGADMP Clc1[nH][nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c2ncnc1-2 ZINC001164628844 719085592 /nfs/dbraw/zinc/08/55/92/719085592.db2.gz OZGWKNYTTLVPFQ-LSDHHAIUSA-N 2 1 368.872 3.107 20 0 FGADMP COc1ccccc1SC[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655724844 719330099 /nfs/dbraw/zinc/33/00/99/719330099.db2.gz IHZSOQWMJCUXHU-WMZOPIPTSA-N 2 1 364.555 3.266 20 0 FGADMP Cc1ncsc1C[N@H+](CCc1noc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000655938336 719355106 /nfs/dbraw/zinc/35/51/06/719355106.db2.gz SMUGJKZBIVEEOM-HNNXBMFYSA-N 2 1 356.495 3.247 20 0 FGADMP Cc1ncsc1C[N@@H+](CCc1noc2ccccc12)C[C@H]1CC[NH2+]C1 ZINC000655938336 719355109 /nfs/dbraw/zinc/35/51/09/719355109.db2.gz SMUGJKZBIVEEOM-HNNXBMFYSA-N 2 1 356.495 3.247 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(F)c(F)c2F)c2cccs2)CC1 ZINC000657287387 719617749 /nfs/dbraw/zinc/61/77/49/719617749.db2.gz ZJUYLJQPBPYMCV-OAHLLOKOSA-N 2 1 369.456 3.244 20 0 FGADMP C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000781898476 724608769 /nfs/dbraw/zinc/60/87/69/724608769.db2.gz LXVQKKDZUQDCHC-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)[C@H]1CNC(=O)OC(C)(C)C ZINC000781898476 724608772 /nfs/dbraw/zinc/60/87/72/724608772.db2.gz LXVQKKDZUQDCHC-MSOLQXFVSA-N 2 1 353.551 3.488 20 0 FGADMP CC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000781903693 724610072 /nfs/dbraw/zinc/61/00/72/724610072.db2.gz HEWCMBNPTUCJKV-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658137546 719761918 /nfs/dbraw/zinc/76/19/18/719761918.db2.gz HJKQZSIHDOJUKT-KSSFIOAISA-N 2 1 359.539 3.431 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658166591 719765208 /nfs/dbraw/zinc/76/52/08/719765208.db2.gz BOGQNOIVJIIKDL-OKYOBFRVSA-N 2 1 350.453 3.301 20 0 FGADMP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658169998 719765812 /nfs/dbraw/zinc/76/58/12/719765812.db2.gz OOVAWVYWZAEWDV-YRXWBPOGSA-N 2 1 350.453 3.443 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(O)CCSCC3)C2)s1 ZINC000660497952 720060963 /nfs/dbraw/zinc/06/09/63/720060963.db2.gz UULKNYHMGYIGCC-INIZCTEOSA-N 2 1 354.585 3.068 20 0 FGADMP Fc1ccc(Br)cc1C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250726 720405170 /nfs/dbraw/zinc/40/51/70/720405170.db2.gz MTGIAYADTUZLIM-OAHLLOKOSA-N 2 1 369.278 3.074 20 0 FGADMP Fc1ccc(Br)cc1C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250726 720405171 /nfs/dbraw/zinc/40/51/71/720405171.db2.gz MTGIAYADTUZLIM-OAHLLOKOSA-N 2 1 369.278 3.074 20 0 FGADMP Cc1cc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281604 720409583 /nfs/dbraw/zinc/40/95/83/720409583.db2.gz YOSNHMFEGNROKB-NVXWUHKLSA-N 2 1 365.315 3.415 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3OC(F)F)C2)C1 ZINC000662284208 720410010 /nfs/dbraw/zinc/41/00/10/720410010.db2.gz GDZMNCSZPLFJHM-XNRPHZJLSA-N 2 1 358.404 3.145 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2)[C@@H]1CCC[NH3+] ZINC000662313063 720414106 /nfs/dbraw/zinc/41/41/06/720414106.db2.gz HQEYWLCNBXHTAV-CZUORRHYSA-N 2 1 368.319 3.227 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1)c1cccc(Cl)c1Cl ZINC000662338223 720416623 /nfs/dbraw/zinc/41/66/23/720416623.db2.gz IHSLZISPDZDSDZ-RDJZCZTQSA-N 2 1 370.324 3.245 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502779 720435859 /nfs/dbraw/zinc/43/58/59/720435859.db2.gz MPUGNFUSJJJRPX-VMGRFDJRSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502779 720435861 /nfs/dbraw/zinc/43/58/61/720435861.db2.gz MPUGNFUSJJJRPX-VMGRFDJRSA-N 2 1 370.324 3.197 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662511051 720436682 /nfs/dbraw/zinc/43/66/82/720436682.db2.gz IBMGNQCBDCRLFT-RTBURBONSA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662511051 720436684 /nfs/dbraw/zinc/43/66/84/720436684.db2.gz IBMGNQCBDCRLFT-RTBURBONSA-N 2 1 355.869 3.118 20 0 FGADMP CC[NH+](CC)CCCCNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662683602 720452317 /nfs/dbraw/zinc/45/23/17/720452317.db2.gz QLAHMGSSIXFCTL-MRXNPFEDSA-N 2 1 360.329 3.492 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662798044 720459402 /nfs/dbraw/zinc/45/94/02/720459402.db2.gz PUIPLBXIDKECHH-NVXWUHKLSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000662798044 720459404 /nfs/dbraw/zinc/45/94/04/720459404.db2.gz PUIPLBXIDKECHH-NVXWUHKLSA-N 2 1 353.869 3.001 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368285 720506430 /nfs/dbraw/zinc/50/64/30/720506430.db2.gz CSEXLWSAMMVCAO-SJORKVTESA-N 2 1 356.432 3.192 20 0 FGADMP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841210 720509034 /nfs/dbraw/zinc/50/90/34/720509034.db2.gz XYCOINLIELVVEQ-VAMGGRTRSA-N 2 1 353.514 3.273 20 0 FGADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]ccc4[nH]ccc43)CC[C@@H]21 ZINC001164837873 720512151 /nfs/dbraw/zinc/51/21/51/720512151.db2.gz QGSDXOXBJZQIFI-UWVAXJGDSA-N 2 1 364.497 3.137 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH+]c1C ZINC001164834244 720532351 /nfs/dbraw/zinc/53/23/51/720532351.db2.gz CZYTXLAYDMPJQU-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1ccc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH+]c1C ZINC001164834244 720532355 /nfs/dbraw/zinc/53/23/55/720532355.db2.gz CZYTXLAYDMPJQU-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(C(F)(F)F)c1 ZINC000665291397 720751108 /nfs/dbraw/zinc/75/11/08/720751108.db2.gz AVUULPXPQCSKBS-CQSZACIVSA-N 2 1 354.376 3.291 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000670415631 721536958 /nfs/dbraw/zinc/53/69/58/721536958.db2.gz GNKJIQQDELZMEU-KRWDZBQOSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@@H+]1C ZINC000674047991 721681186 /nfs/dbraw/zinc/68/11/86/721681186.db2.gz VUETZEACXXSLGT-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000674047991 721681187 /nfs/dbraw/zinc/68/11/87/721681187.db2.gz VUETZEACXXSLGT-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047991 721681188 /nfs/dbraw/zinc/68/11/88/721681188.db2.gz VUETZEACXXSLGT-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC[NH+]1C ZINC000674047991 721681189 /nfs/dbraw/zinc/68/11/89/721681189.db2.gz VUETZEACXXSLGT-MCIONIFRSA-N 2 1 361.313 3.148 20 0 FGADMP Cc1nc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)s1 ZINC000676840015 721835028 /nfs/dbraw/zinc/83/50/28/721835028.db2.gz VMFJASGLTIRYCP-CJNGLKHVSA-N 2 1 364.584 3.461 20 0 FGADMP C[NH+](C)CCOc1ccc(CN2CC[NH+](Cc3cccs3)CC2)cc1 ZINC000678124399 721939668 /nfs/dbraw/zinc/93/96/68/721939668.db2.gz JSNNIQWEBNEWKB-UHFFFAOYSA-N 2 1 359.539 3.006 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cc3ccccc3[nH]2)c2cccs2)CC1 ZINC000683925531 722314227 /nfs/dbraw/zinc/31/42/27/722314227.db2.gz LKZBLVWDHFORNX-IBGZPJMESA-N 2 1 354.523 3.308 20 0 FGADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000685453304 722385418 /nfs/dbraw/zinc/38/54/18/722385418.db2.gz IGSFBSWVPFHFEA-UHFFFAOYSA-N 2 1 369.962 3.216 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908308 722412372 /nfs/dbraw/zinc/41/23/72/722412372.db2.gz QJNMMPWADTVEHI-OWSLCNJRSA-N 2 1 351.535 3.094 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\Sc1ccccc1 ZINC000750735138 722779305 /nfs/dbraw/zinc/77/93/05/722779305.db2.gz TXRYYUPQIHLPDC-XOQYZJNISA-N 2 1 361.555 3.167 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000753763036 722911823 /nfs/dbraw/zinc/91/18/23/722911823.db2.gz LTWXBUNBSKFUBL-ABSDTBQOSA-N 2 1 353.551 3.344 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000768196149 723650275 /nfs/dbraw/zinc/65/02/75/723650275.db2.gz DPOIWKLCDXKNBY-HNNXBMFYSA-N 2 1 350.507 3.207 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000799174140 723995042 /nfs/dbraw/zinc/99/50/42/723995042.db2.gz CFFVAGPMBYXAAL-HNNXBMFYSA-N 2 1 361.313 3.151 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000799174140 723995043 /nfs/dbraw/zinc/99/50/43/723995043.db2.gz CFFVAGPMBYXAAL-HNNXBMFYSA-N 2 1 361.313 3.151 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4ccc(Cl)nc43)CC2)nc(C)[nH+]1 ZINC000776263325 724125771 /nfs/dbraw/zinc/12/57/71/724125771.db2.gz AEBKUOFATZQMEK-MRXNPFEDSA-N 2 1 357.889 3.388 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802007985 724353125 /nfs/dbraw/zinc/35/31/25/724353125.db2.gz ADOXVYYINLACIO-HXUWFJFHSA-N 2 1 353.551 3.441 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)OC(C)(C)C)C2 ZINC000802007985 724353129 /nfs/dbraw/zinc/35/31/29/724353129.db2.gz ADOXVYYINLACIO-HXUWFJFHSA-N 2 1 353.551 3.441 20 0 FGADMP CC(C)[C@H](C(=O)OC[C@@]1(F)CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000802146269 724361305 /nfs/dbraw/zinc/36/13/05/724361305.db2.gz RFBHMICCPDWMPI-YVWKXTFCSA-N 2 1 350.478 3.291 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CCS2 ZINC000786581033 724989862 /nfs/dbraw/zinc/98/98/62/724989862.db2.gz RWLRXXZVZMXTSL-IEBWSBKVSA-N 2 1 362.539 3.465 20 0 FGADMP C[C@@H](C[N@H+](C)C[C@@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340100 725025553 /nfs/dbraw/zinc/02/55/53/725025553.db2.gz BMIYLIKUZVOBFF-UONOGXRCSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@@H](O)C[NH+]1CCCC1)Oc1ccc(Cl)c(Cl)c1 ZINC000787340100 725025555 /nfs/dbraw/zinc/02/55/55/725025555.db2.gz BMIYLIKUZVOBFF-UONOGXRCSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]CC1([NH+](C)C)CCCC1 ZINC000788508963 725069162 /nfs/dbraw/zinc/06/91/62/725069162.db2.gz WIDSVEWUZUIOEJ-IRXDYDNUSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[N@H+](C)C1CCCC1 ZINC000788593948 725074524 /nfs/dbraw/zinc/07/45/24/725074524.db2.gz JLCDPCATRJXIGZ-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000788593948 725074527 /nfs/dbraw/zinc/07/45/27/725074527.db2.gz JLCDPCATRJXIGZ-SJLPKXTDSA-N 2 1 353.551 3.486 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(Cc2ncc(C3OCCO3)s2)CC1 ZINC000809545292 725245911 /nfs/dbraw/zinc/24/59/11/725245911.db2.gz AFBSICCQZVMIKY-UHFFFAOYSA-N 2 1 353.532 3.132 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000809951000 725278105 /nfs/dbraw/zinc/27/81/05/725278105.db2.gz UWIILXFKNBFMTJ-KXBFYZLASA-N 2 1 367.534 3.214 20 0 FGADMP C[C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000812715598 726806317 /nfs/dbraw/zinc/80/63/17/726806317.db2.gz LVKOVNWZAFCECO-YJBOKZPZSA-N 2 1 351.535 3.238 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812735898 726806979 /nfs/dbraw/zinc/80/69/79/726806979.db2.gz VQPTUUCMGZLCSU-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000812735898 726806985 /nfs/dbraw/zinc/80/69/85/726806985.db2.gz VQPTUUCMGZLCSU-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000813326794 726861669 /nfs/dbraw/zinc/86/16/69/726861669.db2.gz XPCMZXVZOUZEKH-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145066 727045077 /nfs/dbraw/zinc/04/50/77/727045077.db2.gz VFSNRRKNOMLHQO-QZTJIDSGSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145066 727045078 /nfs/dbraw/zinc/04/50/78/727045078.db2.gz VFSNRRKNOMLHQO-QZTJIDSGSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000815145066 727045080 /nfs/dbraw/zinc/04/50/80/727045080.db2.gz VFSNRRKNOMLHQO-QZTJIDSGSA-N 2 1 356.432 3.027 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548332 727174358 /nfs/dbraw/zinc/17/43/58/727174358.db2.gz DJBFVZSCZSDGLN-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000816548332 727174359 /nfs/dbraw/zinc/17/43/59/727174359.db2.gz DJBFVZSCZSDGLN-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP Brc1c(C[NH2+]CCCCC[NH+]2CCCC2)nc2ccccn21 ZINC000816644110 727184502 /nfs/dbraw/zinc/18/45/02/727184502.db2.gz CJGVOHVMUZHQFK-UHFFFAOYSA-N 2 1 365.319 3.453 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080492 727345491 /nfs/dbraw/zinc/34/54/91/727345491.db2.gz GJKOHGCLQJNOSI-KBAYOESNSA-N 2 1 356.432 3.449 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C2CC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000819080492 727345494 /nfs/dbraw/zinc/34/54/94/727345494.db2.gz GJKOHGCLQJNOSI-KBAYOESNSA-N 2 1 356.432 3.449 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)cc1Cl ZINC000819085724 727345990 /nfs/dbraw/zinc/34/59/90/727345990.db2.gz WDHHSVWCEJYLAN-UGSOOPFHSA-N 2 1 373.324 3.117 20 0 FGADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)OC(C)(C)C)C1 ZINC000824383045 729334924 /nfs/dbraw/zinc/33/49/24/729334924.db2.gz JFBXWUNDEMNZHH-KZNAEPCWSA-N 2 1 353.551 3.484 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824991882 729366855 /nfs/dbraw/zinc/36/68/55/729366855.db2.gz ATTDHHXVJFPTDT-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304175 730700580 /nfs/dbraw/zinc/70/05/80/730700580.db2.gz MRBSSCOKGXWYOT-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304175 730700582 /nfs/dbraw/zinc/70/05/82/730700582.db2.gz MRBSSCOKGXWYOT-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304175 730700583 /nfs/dbraw/zinc/70/05/83/730700583.db2.gz MRBSSCOKGXWYOT-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403422 730713490 /nfs/dbraw/zinc/71/34/90/730713490.db2.gz VZYHOWIGRNAPFA-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C)[C@H]1CCNC(=O)OC(C)(C)C ZINC000844403422 730713493 /nfs/dbraw/zinc/71/34/93/730713493.db2.gz VZYHOWIGRNAPFA-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCOc1ccc(Cl)cc1 ZINC000849055009 731224581 /nfs/dbraw/zinc/22/45/81/731224581.db2.gz OTLVJPUXKUKPOW-INIZCTEOSA-N 2 1 352.910 3.097 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)cc1 ZINC000849057449 731225053 /nfs/dbraw/zinc/22/50/53/731225053.db2.gz KYWHWZGGWOVTEQ-QGZVFWFLSA-N 2 1 357.527 3.217 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCOc1ccc(Cl)cc1C ZINC000849065905 731225362 /nfs/dbraw/zinc/22/53/62/731225362.db2.gz HTHDRFBCXOXEPP-INIZCTEOSA-N 2 1 352.910 3.016 20 0 FGADMP C[C@@H](CNC(=[NH2+])NCc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000849091046 731228028 /nfs/dbraw/zinc/22/80/28/731228028.db2.gz DTIFGYUBYMSLCT-KGLIPLIRSA-N 2 1 356.436 3.440 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=[NH2+])NCCc1cccs1)C1CC1 ZINC000849092366 731228184 /nfs/dbraw/zinc/22/81/84/731228184.db2.gz ADGAWPGDUUVNJL-IBGZPJMESA-N 2 1 356.539 3.315 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596164 732040867 /nfs/dbraw/zinc/04/08/67/732040867.db2.gz SFCWZSOCHOMEGQ-XJKSGUPXSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596164 732040871 /nfs/dbraw/zinc/04/08/71/732040871.db2.gz SFCWZSOCHOMEGQ-XJKSGUPXSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](C[C@@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596164 732040876 /nfs/dbraw/zinc/04/08/76/732040876.db2.gz SFCWZSOCHOMEGQ-XJKSGUPXSA-N 2 1 358.313 3.180 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858184347 732190350 /nfs/dbraw/zinc/19/03/50/732190350.db2.gz QRPPXBURONGSRI-KRWDZBQOSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)C[C@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000859133437 732281618 /nfs/dbraw/zinc/28/16/18/732281618.db2.gz HATPYQKVTZJHJY-WOJBJXKFSA-N 2 1 370.654 3.412 20 0 FGADMP C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000862366683 732817354 /nfs/dbraw/zinc/81/73/54/732817354.db2.gz VQZZVRXUZYQYKR-NCOADZHNSA-N 2 1 353.551 3.483 20 0 FGADMP CC[NH2+][C@H](C)c1nc(-c2ccc(N3CCC[N@@H+](C)CC3)c(Cl)c2)no1 ZINC000863666022 732991920 /nfs/dbraw/zinc/99/19/20/732991920.db2.gz RIXSRZWBHBNGTG-CYBMUJFWSA-N 2 1 363.893 3.202 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865641077 733243949 /nfs/dbraw/zinc/24/39/49/733243949.db2.gz SMCOCTUVRQTWBG-UONOGXRCSA-N 2 1 367.456 3.154 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866353218 733339376 /nfs/dbraw/zinc/33/93/76/733339376.db2.gz PXTMARXBYNJJMV-ZDUSSCGKSA-N 2 1 350.894 3.158 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCOC4(CCCC4)C3)CCCC2)CC1 ZINC000872033279 735579418 /nfs/dbraw/zinc/57/94/18/735579418.db2.gz AYTVDSNCMJUKEU-GOSISDBHSA-N 2 1 350.547 3.491 20 0 FGADMP [NH3+][C@H](C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCOCC3)C1)C1CCCC1 ZINC000872157710 735597123 /nfs/dbraw/zinc/59/71/23/735597123.db2.gz PUXNJXAWCHRGSE-YSIASYRMSA-N 2 1 350.547 3.192 20 0 FGADMP C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+](C)CCCCCC[NH3+] ZINC000872155463 735597141 /nfs/dbraw/zinc/59/71/41/735597141.db2.gz STAVTBFIMNKBSF-VIFPVBQESA-N 2 1 367.362 3.160 20 0 FGADMP CCOC(=O)c1ncc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)s1 ZINC000872156361 735597266 /nfs/dbraw/zinc/59/72/66/735597266.db2.gz ILZFMDARAHGPPG-YOEHRIQHSA-N 2 1 365.543 3.439 20 0 FGADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(C2CCC2)n(C)c1=S ZINC000872744099 735670046 /nfs/dbraw/zinc/67/00/46/735670046.db2.gz NPATXKOBJKISCW-UHFFFAOYSA-N 2 1 365.591 3.476 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(C2CCC2)n(C)c1=S ZINC000872744099 735670052 /nfs/dbraw/zinc/67/00/52/735670052.db2.gz NPATXKOBJKISCW-UHFFFAOYSA-N 2 1 365.591 3.476 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1Br ZINC000877525122 736678561 /nfs/dbraw/zinc/67/85/61/736678561.db2.gz RKDWMSQDBNQWHR-CQSZACIVSA-N 2 1 369.303 3.056 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Br ZINC000877525122 736678563 /nfs/dbraw/zinc/67/85/63/736678563.db2.gz RKDWMSQDBNQWHR-CQSZACIVSA-N 2 1 369.303 3.056 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C(F)(F)F ZINC000892491481 740006116 /nfs/dbraw/zinc/00/61/16/740006116.db2.gz ARWBIMAIHUFHQR-FVQBIDKESA-N 2 1 362.436 3.113 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892735861 740038678 /nfs/dbraw/zinc/03/86/78/740038678.db2.gz QTLKANCTVQCTEL-UHFFFAOYSA-N 2 1 373.444 3.478 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3C[C@@]3(C)Br)CCCC2)CC1 ZINC000892971770 740064299 /nfs/dbraw/zinc/06/42/99/740064299.db2.gz UFIDESVUXRUHRO-GOEBONIOSA-N 2 1 359.352 3.173 20 0 FGADMP Cn1nc2c(c1C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)CSCC2 ZINC000893941384 742216847 /nfs/dbraw/zinc/21/68/47/742216847.db2.gz XPIMFEWJUQSHLU-UHFFFAOYSA-N 2 1 362.587 3.297 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000894188473 742250625 /nfs/dbraw/zinc/25/06/25/742250625.db2.gz ZBJLDUHTINISDD-CABCVRRESA-N 2 1 356.388 3.208 20 0 FGADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C(F)(F)F)c1 ZINC000894188473 742250627 /nfs/dbraw/zinc/25/06/27/742250627.db2.gz ZBJLDUHTINISDD-CABCVRRESA-N 2 1 356.388 3.208 20 0 FGADMP CCOP(=O)(CCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)OCC ZINC000895555697 742426174 /nfs/dbraw/zinc/42/61/74/742426174.db2.gz AQHFYDOZPICALR-MRXNPFEDSA-N 2 1 355.419 3.248 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC(O)(C(F)(F)F)C2)CC[N@H+]1C ZINC000898162366 742751214 /nfs/dbraw/zinc/75/12/14/742751214.db2.gz QSASOUNXHOZIFR-SEEUUAMPSA-N 2 1 356.432 3.084 20 0 FGADMP C[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903974430 743907136 /nfs/dbraw/zinc/90/71/36/743907136.db2.gz VEQVZFZUJQBFDA-WMLDXEAASA-N 2 1 356.432 3.385 20 0 FGADMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C1 ZINC000904406173 743952847 /nfs/dbraw/zinc/95/28/47/743952847.db2.gz SROIGNXWHBAQTF-OAHLLOKOSA-N 2 1 352.404 3.121 20 0 FGADMP FC(F)(F)c1ccnc([C@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904461521 743956781 /nfs/dbraw/zinc/95/67/81/743956781.db2.gz CLPWGTBJRUUGBU-NSHDSACASA-N 2 1 368.428 3.192 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130992 743995031 /nfs/dbraw/zinc/99/50/31/743995031.db2.gz BJXVRTRHIACXNV-ZIFCJYIRSA-N 2 1 366.571 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130992 743995032 /nfs/dbraw/zinc/99/50/32/743995032.db2.gz BJXVRTRHIACXNV-ZIFCJYIRSA-N 2 1 366.571 3.167 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCC(C)(C)C)CC2)CC[N@H+]1C ZINC000948388560 762328357 /nfs/dbraw/zinc/32/83/57/762328357.db2.gz IVSRLBSVNJQEBV-GBESFXJTSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948388560 762328365 /nfs/dbraw/zinc/32/83/65/762328365.db2.gz IVSRLBSVNJQEBV-GBESFXJTSA-N 2 1 351.579 3.466 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](CCC(C)(C)C)CC2)CC[NH+]1C ZINC000948388560 762328370 /nfs/dbraw/zinc/32/83/70/762328370.db2.gz IVSRLBSVNJQEBV-GBESFXJTSA-N 2 1 351.579 3.466 20 0 FGADMP CC[N@H+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000957716086 762653461 /nfs/dbraw/zinc/65/34/61/762653461.db2.gz SPFFZTVJXFAWOY-VQIMIIECSA-N 2 1 363.571 3.149 20 0 FGADMP CC[NH+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000957716086 762653467 /nfs/dbraw/zinc/65/34/67/762653467.db2.gz SPFFZTVJXFAWOY-VQIMIIECSA-N 2 1 363.571 3.149 20 0 FGADMP CC[NH+](Cc1ccsc1)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000957716086 762653472 /nfs/dbraw/zinc/65/34/72/762653472.db2.gz SPFFZTVJXFAWOY-VQIMIIECSA-N 2 1 363.571 3.149 20 0 FGADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000921980391 758832287 /nfs/dbraw/zinc/83/22/87/758832287.db2.gz LNBWJYKXGSOZPG-IBGZPJMESA-N 2 1 359.901 3.290 20 0 FGADMP Cc1cnc(Cl)c(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)c1 ZINC000921980391 758832296 /nfs/dbraw/zinc/83/22/96/758832296.db2.gz LNBWJYKXGSOZPG-IBGZPJMESA-N 2 1 359.901 3.290 20 0 FGADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385734 758909089 /nfs/dbraw/zinc/90/90/89/758909089.db2.gz CSQDXXPPOKCDOH-OAFZBRQQSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(C)(C)C)n1)C2 ZINC000922385734 758909094 /nfs/dbraw/zinc/90/90/94/758909094.db2.gz CSQDXXPPOKCDOH-OAFZBRQQSA-N 2 1 351.560 3.010 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(CSC(F)F)o1)C2 ZINC000922386752 758909471 /nfs/dbraw/zinc/90/94/71/758909471.db2.gz IHGWDKNHIQNPEE-CBZIJGRNSA-N 2 1 374.497 3.305 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)cc1F)C2 ZINC000922387419 758909525 /nfs/dbraw/zinc/90/95/25/758909525.db2.gz KRWDXRJNTCRZQR-YXYQLMTNSA-N 2 1 350.453 3.047 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@H]1C(C)C ZINC000922396086 758914641 /nfs/dbraw/zinc/91/46/41/758914641.db2.gz ZZBKMZARVNLMRB-JOCBIADPSA-N 2 1 354.585 3.429 20 0 FGADMP CC(=O)N(c1nc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cs1)C1CC1 ZINC000922846928 759014638 /nfs/dbraw/zinc/01/46/38/759014638.db2.gz HHAJAWUPTHVJCQ-UHFFFAOYSA-N 2 1 362.543 3.155 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCC[N@H+]1C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923317248 759099811 /nfs/dbraw/zinc/09/98/11/759099811.db2.gz CSQFVZBLTMVZMP-HZPDHXFCSA-N 2 1 366.937 3.016 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923497242 759132346 /nfs/dbraw/zinc/13/23/46/759132346.db2.gz DETITEZPSHENHT-CABCVRRESA-N 2 1 361.511 3.147 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923497242 759132349 /nfs/dbraw/zinc/13/23/49/759132349.db2.gz DETITEZPSHENHT-CABCVRRESA-N 2 1 361.511 3.147 20 0 FGADMP CC[C@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000925038552 759434823 /nfs/dbraw/zinc/43/48/23/759434823.db2.gz LMRJLEVHGHBMRA-UYAOXDASSA-N 2 1 351.535 3.423 20 0 FGADMP CC(C)([NH3+])CC[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000925743038 759528097 /nfs/dbraw/zinc/52/80/97/759528097.db2.gz ZDYKTBXKRKUFIG-GOSISDBHSA-N 2 1 364.486 3.036 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926205932 759676855 /nfs/dbraw/zinc/67/68/55/759676855.db2.gz DQJYWPZAZLBOSF-LSDHHAIUSA-N 2 1 350.507 3.024 20 0 FGADMP C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(C[NH+](C)C)c1 ZINC000926882680 759837761 /nfs/dbraw/zinc/83/77/61/759837761.db2.gz VQYMOABUIHSWQA-GFCCVEGCSA-N 2 1 351.292 3.095 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000985442809 763931217 /nfs/dbraw/zinc/93/12/17/763931217.db2.gz SHQRDULKVKMWEH-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC000985442809 763931229 /nfs/dbraw/zinc/93/12/29/763931229.db2.gz SHQRDULKVKMWEH-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3cccc(Cl)c3)CC2)CC[NH+]1C ZINC000985442809 763931232 /nfs/dbraw/zinc/93/12/32/763931232.db2.gz SHQRDULKVKMWEH-DNVCBOLYSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761488 764560880 /nfs/dbraw/zinc/56/08/80/764560880.db2.gz IUIQUHJLAPGCMD-HLNWXESRSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761488 764560887 /nfs/dbraw/zinc/56/08/87/764560887.db2.gz IUIQUHJLAPGCMD-HLNWXESRSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]23CCC[C@@H]2[N@@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761488 764560891 /nfs/dbraw/zinc/56/08/91/764560891.db2.gz IUIQUHJLAPGCMD-HLNWXESRSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3csc(C)c3)C(C)(C)C2)CC[N@H+]1C ZINC000995837294 764971723 /nfs/dbraw/zinc/97/17/23/764971723.db2.gz DBBHXKOMMOBGTA-KSZLIROESA-N 2 1 363.571 3.113 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC000997785669 765082515 /nfs/dbraw/zinc/08/25/15/765082515.db2.gz KXUXFJPLVRUMRB-CZUORRHYSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001002858767 765349037 /nfs/dbraw/zinc/34/90/37/765349037.db2.gz GRLKDGCONPUELQ-JKSUJKDBSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001002858767 765349051 /nfs/dbraw/zinc/34/90/51/765349051.db2.gz GRLKDGCONPUELQ-JKSUJKDBSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001023377779 766036597 /nfs/dbraw/zinc/03/65/97/766036597.db2.gz WEMFNQASRBKDIZ-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001023377779 766036605 /nfs/dbraw/zinc/03/66/05/766036605.db2.gz WEMFNQASRBKDIZ-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001023377779 766036612 /nfs/dbraw/zinc/03/66/12/766036612.db2.gz WEMFNQASRBKDIZ-IJEWVQPXSA-N 2 1 369.962 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001031683943 766183483 /nfs/dbraw/zinc/18/34/83/766183483.db2.gz DPBNOBAGKNVEAT-ZOCIIQOWSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001031683943 766183488 /nfs/dbraw/zinc/18/34/88/766183488.db2.gz DPBNOBAGKNVEAT-ZOCIIQOWSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccccc2Cl)CC[N@H+]1C ZINC001034941277 766250669 /nfs/dbraw/zinc/25/06/69/766250669.db2.gz OWDNFUFRCJCONZ-ZIFCJYIRSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001046330487 766586365 /nfs/dbraw/zinc/58/63/65/766586365.db2.gz LCLHSFYXIBZPTA-NSHGMRRFSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001046330487 766586373 /nfs/dbraw/zinc/58/63/73/766586373.db2.gz LCLHSFYXIBZPTA-NSHGMRRFSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@]2(C)CC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001046330487 766586380 /nfs/dbraw/zinc/58/63/80/766586380.db2.gz LCLHSFYXIBZPTA-NSHGMRRFSA-N 2 1 363.933 3.151 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCO[C@@]5(CCOC5)C4)[C@@H]3C2)cc1 ZINC000359894284 210196223 /nfs/dbraw/zinc/19/62/23/210196223.db2.gz FWDOPMPJIZPLKO-NQQQLTFYSA-N 2 1 370.537 3.215 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000328638191 210121365 /nfs/dbraw/zinc/12/13/65/210121365.db2.gz PBAPFSRNAVFJON-RNQOJCNYSA-N 2 1 360.546 3.366 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000071935637 221387586 /nfs/dbraw/zinc/38/75/86/221387586.db2.gz SESJFRJQVCMKKM-NRFANRHFSA-N 2 1 372.557 3.197 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000071935637 221387592 /nfs/dbraw/zinc/38/75/92/221387592.db2.gz SESJFRJQVCMKKM-NRFANRHFSA-N 2 1 372.557 3.197 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037644443 257338975 /nfs/dbraw/zinc/33/89/75/257338975.db2.gz DHZYWPCJKQQMNJ-LLVKDONJSA-N 2 1 363.246 3.482 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)ccc2OC(F)F)C1 ZINC000037644443 257338976 /nfs/dbraw/zinc/33/89/76/257338976.db2.gz DHZYWPCJKQQMNJ-LLVKDONJSA-N 2 1 363.246 3.482 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000567973422 505587251 /nfs/dbraw/zinc/58/72/51/505587251.db2.gz CGNUVCYZWKKTKR-LJQANCHMSA-N 2 1 352.482 3.042 20 0 FGADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000570870889 505599943 /nfs/dbraw/zinc/59/99/43/505599943.db2.gz PXLXDPQQLRUHDD-PZJWPPBQSA-N 2 1 360.542 3.318 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cc2)no1 ZINC000568035835 505600578 /nfs/dbraw/zinc/60/05/78/505600578.db2.gz NNPJWZIHFLWHDM-IBGZPJMESA-N 2 1 370.497 3.121 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000568045790 505602929 /nfs/dbraw/zinc/60/29/29/505602929.db2.gz JEQHVVPYDVNDLI-MJGOQNOKSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000568045790 505602933 /nfs/dbraw/zinc/60/29/33/505602933.db2.gz JEQHVVPYDVNDLI-MJGOQNOKSA-N 2 1 363.571 3.211 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000568045790 505602938 /nfs/dbraw/zinc/60/29/38/505602938.db2.gz JEQHVVPYDVNDLI-MJGOQNOKSA-N 2 1 363.571 3.211 20 0 FGADMP CCc1cc(N2CCC([NH2+][C@H]3CC[NH2+][C@@H](c4ccccc4)C3)CC2)ncn1 ZINC000570908880 505608846 /nfs/dbraw/zinc/60/88/46/505608846.db2.gz JKIYJNRYMCDZGF-LEWJYISDSA-N 2 1 365.525 3.091 20 0 FGADMP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000568057131 505605287 /nfs/dbraw/zinc/60/52/87/505605287.db2.gz ROXNQWQQSWCUSB-UHFFFAOYSA-N 2 1 363.811 3.358 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)CC(C)(C)C2)CC1 ZINC000579877472 505637079 /nfs/dbraw/zinc/63/70/79/505637079.db2.gz LYFZSMSLCIZFDH-GOSISDBHSA-N 2 1 371.569 3.444 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879372 505637605 /nfs/dbraw/zinc/63/76/05/505637605.db2.gz BVSFUTVWGULGFC-PXNSSMCTSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571047275 505641275 /nfs/dbraw/zinc/64/12/75/505641275.db2.gz PGNYRDQITYSYCO-RBSFLKMASA-N 2 1 369.431 3.354 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200870 505642219 /nfs/dbraw/zinc/64/22/19/505642219.db2.gz BOWNDHMLRKRLOD-UYAOXDASSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200870 505642224 /nfs/dbraw/zinc/64/22/24/505642224.db2.gz BOWNDHMLRKRLOD-UYAOXDASSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200870 505642229 /nfs/dbraw/zinc/64/22/29/505642229.db2.gz BOWNDHMLRKRLOD-UYAOXDASSA-N 2 1 357.542 3.230 20 0 FGADMP Cc1cccc([C@H](C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)N2CCOCC2)c1 ZINC000573911860 505648886 /nfs/dbraw/zinc/64/88/86/505648886.db2.gz XDJPBYULECTZSD-FKBYEOEOSA-N 2 1 351.494 3.103 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000573945448 505657860 /nfs/dbraw/zinc/65/78/60/505657860.db2.gz XCCUTAJMMRMBFV-WIYYLYMNSA-N 2 1 373.541 3.141 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)C[C@H](C)O1 ZINC000571122536 505657963 /nfs/dbraw/zinc/65/79/63/505657963.db2.gz GXNKHZYFMXPVFH-CALCHBBNSA-N 2 1 372.513 3.381 20 0 FGADMP Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000571104014 505654655 /nfs/dbraw/zinc/65/46/55/505654655.db2.gz JTVKOEXNROGRCD-OAQYLSRUSA-N 2 1 351.494 3.212 20 0 FGADMP Cc1ccnc([C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000571104014 505654660 /nfs/dbraw/zinc/65/46/60/505654660.db2.gz JTVKOEXNROGRCD-OAQYLSRUSA-N 2 1 351.494 3.212 20 0 FGADMP CC(C)[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)o1)N1CC[NH+](C)CC1 ZINC000075763170 493775739 /nfs/dbraw/zinc/77/57/39/493775739.db2.gz HCFRHGJIEYJGAY-HXUWFJFHSA-N 2 1 359.489 3.447 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000057609857 493776507 /nfs/dbraw/zinc/77/65/07/493776507.db2.gz OMJHCLSINBYRSE-UHFFFAOYSA-N 2 1 372.557 3.298 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)c1 ZINC000068259409 493785850 /nfs/dbraw/zinc/78/58/50/493785850.db2.gz AKUCNIICGGLXFL-UHFFFAOYSA-N 2 1 351.494 3.015 20 0 FGADMP Cc1ccc(C(C)(C)C[N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000075861576 493786626 /nfs/dbraw/zinc/78/66/26/493786626.db2.gz GOMAYLHQIDIDDF-UHFFFAOYSA-N 2 1 359.558 3.193 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900305 493794436 /nfs/dbraw/zinc/79/44/36/493794436.db2.gz VTCABGDYIBYMFS-OXQOHEQNSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900305 493794440 /nfs/dbraw/zinc/79/44/40/493794440.db2.gz VTCABGDYIBYMFS-OXQOHEQNSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000048189842 493799115 /nfs/dbraw/zinc/79/91/15/493799115.db2.gz BUIQJRYRZRXSPE-UHFFFAOYSA-N 2 1 374.573 3.448 20 0 FGADMP CN(Cc1ccco1)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057924349 493815214 /nfs/dbraw/zinc/81/52/14/493815214.db2.gz PDOBOPIIRIDAKT-UHFFFAOYSA-N 2 1 369.509 3.082 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000076110222 493824912 /nfs/dbraw/zinc/82/49/12/493824912.db2.gz UFONDRQFNPFCHN-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000076110222 493824913 /nfs/dbraw/zinc/82/49/13/493824913.db2.gz UFONDRQFNPFCHN-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000076110222 493824915 /nfs/dbraw/zinc/82/49/15/493824915.db2.gz UFONDRQFNPFCHN-VXKWHMMOSA-N 2 1 368.521 3.189 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000068597318 493846425 /nfs/dbraw/zinc/84/64/25/493846425.db2.gz VAEDPXMFIMSOFK-ZWKOTPCHSA-N 2 1 360.546 3.200 20 0 FGADMP Brc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000060242051 493919776 /nfs/dbraw/zinc/91/97/76/493919776.db2.gz CIDPBLKNNALFAG-UHFFFAOYSA-N 2 1 367.331 3.383 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000574082576 505689204 /nfs/dbraw/zinc/68/92/04/505689204.db2.gz WBWTTYDPBOWEFH-UHFFFAOYSA-N 2 1 374.617 3.102 20 0 FGADMP CN(CC[NH+](C)C1CCN(C)CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000574082576 505689206 /nfs/dbraw/zinc/68/92/06/505689206.db2.gz WBWTTYDPBOWEFH-UHFFFAOYSA-N 2 1 374.617 3.102 20 0 FGADMP CN(CC[NH+](C)C1CCN(C)CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000574082576 505689210 /nfs/dbraw/zinc/68/92/10/505689210.db2.gz WBWTTYDPBOWEFH-UHFFFAOYSA-N 2 1 374.617 3.102 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)cs1 ZINC000580154733 505690029 /nfs/dbraw/zinc/69/00/29/505690029.db2.gz JADNISGZXRNRBV-QLPKVWCKSA-N 2 1 351.560 3.463 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1 ZINC000061794301 493995419 /nfs/dbraw/zinc/99/54/19/493995419.db2.gz GJOGNWWVKKUKEI-UHFFFAOYSA-N 2 1 360.546 3.247 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000061855844 493996477 /nfs/dbraw/zinc/99/64/77/493996477.db2.gz DSIWBPPDAQMPPU-UHFFFAOYSA-N 2 1 360.546 3.060 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCc3ccccc32)CC1 ZINC000052208877 494011461 /nfs/dbraw/zinc/01/14/61/494011461.db2.gz HMFPHZNLOIBUHW-UHFFFAOYSA-N 2 1 357.542 3.410 20 0 FGADMP C[N@@H+](C[C@H](O)CNCc1ccc(-c2nc3ccccc3s2)o1)C1CC1 ZINC000571277046 505696678 /nfs/dbraw/zinc/69/66/78/505696678.db2.gz HWOLGWNFXACLMW-CQSZACIVSA-N 2 1 357.479 3.101 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCc3ccncc3)c(OC)c2)C1 ZINC000063917491 494097872 /nfs/dbraw/zinc/09/78/72/494097872.db2.gz RXASDDXGNHGZRL-HXUWFJFHSA-N 2 1 369.509 3.491 20 0 FGADMP C[N@H+](CCCn1ccnc1)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000577327336 505706360 /nfs/dbraw/zinc/70/63/60/505706360.db2.gz YDDGXSFOILXTIS-UHFFFAOYSA-N 2 1 365.268 3.293 20 0 FGADMP C[N@@H+](CCCn1ccnc1)Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000577327336 505706364 /nfs/dbraw/zinc/70/63/64/505706364.db2.gz YDDGXSFOILXTIS-UHFFFAOYSA-N 2 1 365.268 3.293 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000088741007 494257831 /nfs/dbraw/zinc/25/78/31/494257831.db2.gz KMHNXCYJFMBKAF-KBAYOESNSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000088741007 494257835 /nfs/dbraw/zinc/25/78/35/494257835.db2.gz KMHNXCYJFMBKAF-KBAYOESNSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000054763874 494267994 /nfs/dbraw/zinc/26/79/94/494267994.db2.gz KSOWHIICGZQBJE-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000054763874 494267997 /nfs/dbraw/zinc/26/79/97/494267997.db2.gz KSOWHIICGZQBJE-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000054763874 494267999 /nfs/dbraw/zinc/26/79/99/494267999.db2.gz KSOWHIICGZQBJE-IBGZPJMESA-N 2 1 360.546 3.072 20 0 FGADMP CN(C)C(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000072895378 494277093 /nfs/dbraw/zinc/27/70/93/494277093.db2.gz FDDSBZCSDBRQHC-NRFANRHFSA-N 2 1 351.494 3.202 20 0 FGADMP C[C@@H](c1ccc(OC(F)F)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000089269117 494282474 /nfs/dbraw/zinc/28/24/74/494282474.db2.gz HRKLJEXGKYRMRO-HNNXBMFYSA-N 2 1 355.473 3.307 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000066179011 494284852 /nfs/dbraw/zinc/28/48/52/494284852.db2.gz HROYNFPAFIUMHB-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524428 494313576 /nfs/dbraw/zinc/31/35/76/494313576.db2.gz RLEMMDVULOKAFP-PMACEKPBSA-N 2 1 366.594 3.307 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000073595320 494396276 /nfs/dbraw/zinc/39/62/76/494396276.db2.gz OPDTUQNGPPBECG-LJQANCHMSA-N 2 1 363.550 3.172 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCC3)cc2)C1 ZINC000045121408 494399436 /nfs/dbraw/zinc/39/94/36/494399436.db2.gz OQYCGZDPTKZKTM-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP FC(F)(F)c1cnc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000090082441 494438635 /nfs/dbraw/zinc/43/86/35/494438635.db2.gz YODCPFWZVZNLFF-QWHCGFSZSA-N 2 1 363.811 3.349 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000073897534 494444603 /nfs/dbraw/zinc/44/46/03/494444603.db2.gz UXZQGMSPXOLYNP-WOJBJXKFSA-N 2 1 360.546 3.114 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000079394517 494446342 /nfs/dbraw/zinc/44/63/42/494446342.db2.gz GRZKXDYFAJXJTF-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP Cc1csc(N2CCC([NH2+]C[C@H]3CCC[N@H+](CC(C)C)C3)CC2)n1 ZINC000090585777 494484641 /nfs/dbraw/zinc/48/46/41/494484641.db2.gz HGCCSZQZDQFGHP-QGZVFWFLSA-N 2 1 350.576 3.378 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074189395 494494044 /nfs/dbraw/zinc/49/40/44/494494044.db2.gz LNMKOBMSBRHESU-FQEVSTJZSA-N 2 1 357.542 3.087 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)CCn2cc[nH+]c2C(C)C)[NH+]2CCCC2)o1 ZINC000074257497 494504724 /nfs/dbraw/zinc/50/47/24/494504724.db2.gz VIXYAYHNNFJCRU-QGZVFWFLSA-N 2 1 358.486 3.251 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000056503509 494517316 /nfs/dbraw/zinc/51/73/16/494517316.db2.gz FXWKIGPZYNSPGJ-RTBURBONSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000074319644 494518962 /nfs/dbraw/zinc/51/89/62/494518962.db2.gz NNMHCHQUQLXCNW-NRFANRHFSA-N 2 1 357.542 3.450 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000074446646 494538249 /nfs/dbraw/zinc/53/82/49/494538249.db2.gz FMIOJPVDQQLDDP-NRFANRHFSA-N 2 1 357.542 3.230 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000079945225 494554258 /nfs/dbraw/zinc/55/42/58/494554258.db2.gz SNBDIYPDDBKEGH-NQIIRXRSSA-N 2 1 357.542 3.276 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000079945210 494554346 /nfs/dbraw/zinc/55/43/46/494554346.db2.gz SNBDIYPDDBKEGH-GHTZIAJQSA-N 2 1 357.542 3.276 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000121114644 494602015 /nfs/dbraw/zinc/60/20/15/494602015.db2.gz XOUYXRGEZOOBED-SFHVURJKSA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000121114644 494602018 /nfs/dbraw/zinc/60/20/18/494602018.db2.gz XOUYXRGEZOOBED-SFHVURJKSA-N 2 1 361.534 3.020 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(-c3ccncc3)c2)CC1 ZINC000121124621 494607456 /nfs/dbraw/zinc/60/74/56/494607456.db2.gz WPJGOAHQETVPTP-SFHVURJKSA-N 2 1 353.510 3.273 20 0 FGADMP CCC[N@H+](Cc1ccc(OC)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000131672280 494695695 /nfs/dbraw/zinc/69/56/95/494695695.db2.gz HXLKUKRMEYEDOV-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP CCC[N@@H+](Cc1ccc(OC)nc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000131672280 494695697 /nfs/dbraw/zinc/69/56/97/494695697.db2.gz HXLKUKRMEYEDOV-UHFFFAOYSA-N 2 1 369.513 3.378 20 0 FGADMP Cc1ccc2ncnc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c2c1 ZINC000092657954 494701147 /nfs/dbraw/zinc/70/11/47/494701147.db2.gz MHZFGQRFFPSHKQ-UHFFFAOYSA-N 2 1 353.514 3.300 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3cccc(Cl)c3)c2)C1 ZINC000108420612 494703797 /nfs/dbraw/zinc/70/37/97/494703797.db2.gz FMZNEAVMWCQACA-LJQANCHMSA-N 2 1 371.912 3.327 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000108428627 494705816 /nfs/dbraw/zinc/70/58/16/494705816.db2.gz UQEDCDQLXVAEDM-CYBMUJFWSA-N 2 1 351.288 3.156 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)c2)cc1 ZINC000108429088 494706234 /nfs/dbraw/zinc/70/62/34/494706234.db2.gz XPKVFIHBLYCGFR-SFHVURJKSA-N 2 1 367.493 3.379 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000108428306 494706330 /nfs/dbraw/zinc/70/63/30/494706330.db2.gz GOUBILWGEOTUFB-HNNXBMFYSA-N 2 1 352.404 3.323 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[NH+](C)C(C)(C)C2)c1 ZINC000580343952 505737217 /nfs/dbraw/zinc/73/72/17/505737217.db2.gz CXGQCKCMOUWNGM-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000580343952 505737221 /nfs/dbraw/zinc/73/72/21/505737221.db2.gz CXGQCKCMOUWNGM-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000580343952 505737226 /nfs/dbraw/zinc/73/72/26/505737226.db2.gz CXGQCKCMOUWNGM-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP Brc1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c1)OCC2 ZINC000577492674 505739114 /nfs/dbraw/zinc/73/91/14/505739114.db2.gz NFLOAZOTOSCNRN-GJZGRUSLSA-N 2 1 365.315 3.206 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[S@](=O)c1ccccc1 ZINC000092821165 494764217 /nfs/dbraw/zinc/76/42/17/494764217.db2.gz VEZQAWFZRNHYLF-AREMUKBSSA-N 2 1 371.550 3.428 20 0 FGADMP CNC(=O)c1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000092821669 494764439 /nfs/dbraw/zinc/76/44/39/494764439.db2.gz XPPIZIKKPXLGER-UHFFFAOYSA-N 2 1 366.509 3.180 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000121482178 494776894 /nfs/dbraw/zinc/77/68/94/494776894.db2.gz XIZZFIZIYHURGX-ZIAGYGMSSA-N 2 1 356.449 3.207 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121494624 494781318 /nfs/dbraw/zinc/78/13/18/494781318.db2.gz ZDBFHAWZILSZTO-TZIWHRDSSA-N 2 1 359.558 3.166 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000093006869 494805871 /nfs/dbraw/zinc/80/58/71/494805871.db2.gz JFHWTXQVXYANKC-UHFFFAOYSA-N 2 1 357.523 3.191 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000132073964 494813632 /nfs/dbraw/zinc/81/36/32/494813632.db2.gz HKLOLYBOOKSHEV-GHTZIAJQSA-N 2 1 372.557 3.213 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000126733296 494828329 /nfs/dbraw/zinc/82/83/29/494828329.db2.gz UYDXSVUIAFBCHF-UNMCSNQZSA-N 2 1 367.537 3.371 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000126886989 494856408 /nfs/dbraw/zinc/85/64/08/494856408.db2.gz ZDGPSVMUZJETSV-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000109482054 494881187 /nfs/dbraw/zinc/88/11/87/494881187.db2.gz LVTKGCNEBPZFJV-ROUUACIJSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000109504294 494882908 /nfs/dbraw/zinc/88/29/08/494882908.db2.gz WQUGVQVDYOLHRE-JOCHJYFZSA-N 2 1 365.521 3.380 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)[NH+]2CCCC2)cc1 ZINC000109504294 494882914 /nfs/dbraw/zinc/88/29/14/494882914.db2.gz WQUGVQVDYOLHRE-JOCHJYFZSA-N 2 1 365.521 3.380 20 0 FGADMP Cc1ccc([C@@H]2CCCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093384161 494883598 /nfs/dbraw/zinc/88/35/98/494883598.db2.gz PUOBXWBOZAWGCE-NRFANRHFSA-N 2 1 365.525 3.264 20 0 FGADMP Cc1ccc([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000093384161 494883602 /nfs/dbraw/zinc/88/36/02/494883602.db2.gz PUOBXWBOZAWGCE-NRFANRHFSA-N 2 1 365.525 3.264 20 0 FGADMP CCN(Cc1cc(C(=O)OC)n(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568681398 505750842 /nfs/dbraw/zinc/75/08/42/505750842.db2.gz IIPZJBWNEFSVTD-IBGZPJMESA-N 2 1 369.509 3.156 20 0 FGADMP CC[NH+](Cc1cc(C(=O)OC)n(C)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568681398 505750850 /nfs/dbraw/zinc/75/08/50/505750850.db2.gz IIPZJBWNEFSVTD-IBGZPJMESA-N 2 1 369.509 3.156 20 0 FGADMP CC[NH+](Cc1cc(C(=O)OC)n(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568681398 505750854 /nfs/dbraw/zinc/75/08/54/505750854.db2.gz IIPZJBWNEFSVTD-IBGZPJMESA-N 2 1 369.509 3.156 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514006 505751829 /nfs/dbraw/zinc/75/18/29/505751829.db2.gz MHTPPQAZZACBTH-SNJCGAMXSA-N 2 1 368.521 3.463 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000127630721 494973462 /nfs/dbraw/zinc/97/34/62/494973462.db2.gz ZLDWUDJGWDRLSB-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000127630721 494973464 /nfs/dbraw/zinc/97/34/64/494973464.db2.gz ZLDWUDJGWDRLSB-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000127630721 494973467 /nfs/dbraw/zinc/97/34/67/494973467.db2.gz ZLDWUDJGWDRLSB-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568386 505754485 /nfs/dbraw/zinc/75/44/85/505754485.db2.gz RDNRXVXFDDIIPH-BMGDILEWSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568386 505754489 /nfs/dbraw/zinc/75/44/89/505754489.db2.gz RDNRXVXFDDIIPH-BMGDILEWSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568386 505754492 /nfs/dbraw/zinc/75/44/92/505754492.db2.gz RDNRXVXFDDIIPH-BMGDILEWSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000577568386 505754497 /nfs/dbraw/zinc/75/44/97/505754497.db2.gz RDNRXVXFDDIIPH-BMGDILEWSA-N 2 1 366.937 3.113 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000133422316 495011950 /nfs/dbraw/zinc/01/19/50/495011950.db2.gz VAYPUTRATUUIRJ-FQEVSTJZSA-N 2 1 372.601 3.427 20 0 FGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000119013927 495070641 /nfs/dbraw/zinc/07/06/41/495070641.db2.gz HZQMCQXZKDSLEN-JRJUITNWSA-N 2 1 363.933 3.276 20 0 FGADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000119013927 495070645 /nfs/dbraw/zinc/07/06/45/495070645.db2.gz HZQMCQXZKDSLEN-JRJUITNWSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128411868 495093126 /nfs/dbraw/zinc/09/31/26/495093126.db2.gz JKZSOPLZLMPPKQ-SJORKVTESA-N 2 1 360.571 3.406 20 0 FGADMP [NH3+][C@@H](CCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl)c1ccccc1 ZINC000577593023 505760433 /nfs/dbraw/zinc/76/04/33/505760433.db2.gz KHQUBDJUDZSWFP-OALUTQOASA-N 2 1 357.885 3.293 20 0 FGADMP c1ccc([C@@H](CNC2CC[NH+](Cc3cccnc3)CC2)[NH+]2CCCC2)cc1 ZINC000134117442 495108459 /nfs/dbraw/zinc/10/84/59/495108459.db2.gz LFBOTXQLXFTMCV-HSZRJFAPSA-N 2 1 364.537 3.473 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000134184979 495118623 /nfs/dbraw/zinc/11/86/23/495118623.db2.gz SXDKUORIEGIQNV-GOSISDBHSA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000128614247 495124617 /nfs/dbraw/zinc/12/46/17/495124617.db2.gz LEWUFZOJDFTJEH-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)C(C)(C)C2)CC1 ZINC000134278573 495129046 /nfs/dbraw/zinc/12/90/46/495129046.db2.gz PMDKQCYMRIWJDD-HXUWFJFHSA-N 2 1 357.542 3.101 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604942 505763141 /nfs/dbraw/zinc/76/31/41/505763141.db2.gz KQWRUEBZQGVZKS-PMACEKPBSA-N 2 1 354.498 3.013 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1C1CCC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000102927915 495174251 /nfs/dbraw/zinc/17/42/51/495174251.db2.gz FKPYJCJUONMMBX-FQEVSTJZSA-N 2 1 373.566 3.438 20 0 FGADMP CCOc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123749422 495180186 /nfs/dbraw/zinc/18/01/86/495180186.db2.gz ZELBZDMANBQXNA-DLBZAZTESA-N 2 1 370.497 3.101 20 0 FGADMP CCOc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000123749422 495180191 /nfs/dbraw/zinc/18/01/91/495180191.db2.gz ZELBZDMANBQXNA-DLBZAZTESA-N 2 1 370.497 3.101 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874642 495213127 /nfs/dbraw/zinc/21/31/27/495213127.db2.gz ZSLRZLUKUXEOEW-HHXXYDBFSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134874642 495213130 /nfs/dbraw/zinc/21/31/30/495213130.db2.gz ZSLRZLUKUXEOEW-HHXXYDBFSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134874642 495213136 /nfs/dbraw/zinc/21/31/36/495213136.db2.gz ZSLRZLUKUXEOEW-HHXXYDBFSA-N 2 1 364.917 3.028 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000124248346 495256938 /nfs/dbraw/zinc/25/69/38/495256938.db2.gz LNYYBQUQQRJUKC-CYBMUJFWSA-N 2 1 370.375 3.131 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCSc3ccc(F)cc32)CC1 ZINC000124319370 495268962 /nfs/dbraw/zinc/26/89/62/495268962.db2.gz BDDYTLXKKILBPE-SFHVURJKSA-N 2 1 351.535 3.226 20 0 FGADMP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000119967687 495279217 /nfs/dbraw/zinc/27/92/17/495279217.db2.gz OEMXTDXDARIEKW-CTNGQTDRSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000113612716 495321002 /nfs/dbraw/zinc/32/10/02/495321002.db2.gz FARQEZXSECGGBN-SFHVURJKSA-N 2 1 360.546 3.023 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC000105274768 495351553 /nfs/dbraw/zinc/35/15/53/495351553.db2.gz GKMZGFGPPKJOGM-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105274768 495351557 /nfs/dbraw/zinc/35/15/57/495351557.db2.gz GKMZGFGPPKJOGM-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000105274768 495351559 /nfs/dbraw/zinc/35/15/59/495351559.db2.gz GKMZGFGPPKJOGM-FQEVSTJZSA-N 2 1 366.594 3.260 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000124955406 495370029 /nfs/dbraw/zinc/37/00/29/495370029.db2.gz HBDQEYFGMBNTIK-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000136312410 495371165 /nfs/dbraw/zinc/37/11/65/495371165.db2.gz GWQNFNDCEAWEJQ-FQEVSTJZSA-N 2 1 354.498 3.049 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCc2ccccc21 ZINC000136312410 495371167 /nfs/dbraw/zinc/37/11/67/495371167.db2.gz GWQNFNDCEAWEJQ-FQEVSTJZSA-N 2 1 354.498 3.049 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000106164555 495421961 /nfs/dbraw/zinc/42/19/61/495421961.db2.gz ONTYLZNSDIQAJK-UHFFFAOYSA-N 2 1 374.916 3.035 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000137192899 495429734 /nfs/dbraw/zinc/42/97/34/495429734.db2.gz NWTUGSFPUCADRH-SFHVURJKSA-N 2 1 352.482 3.383 20 0 FGADMP C[N@H+](CCN1CC[NH+](CCc2ccccc2F)CC1)Cc1ccccc1 ZINC000137589533 495446970 /nfs/dbraw/zinc/44/69/70/495446970.db2.gz DDJSWXMLMNJYRQ-UHFFFAOYSA-N 2 1 355.501 3.118 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CCc2ccccc2F)CC1)Cc1ccccc1 ZINC000137589533 495446974 /nfs/dbraw/zinc/44/69/74/495446974.db2.gz DDJSWXMLMNJYRQ-UHFFFAOYSA-N 2 1 355.501 3.118 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000571656832 505784403 /nfs/dbraw/zinc/78/44/03/505784403.db2.gz KLSDZLNQRFASNN-UWJYYQICSA-N 2 1 368.525 3.259 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000130961528 495472696 /nfs/dbraw/zinc/47/26/96/495472696.db2.gz BFYBPTXEIALMOW-AWEZNQCLSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000130961528 495472701 /nfs/dbraw/zinc/47/27/01/495472701.db2.gz BFYBPTXEIALMOW-AWEZNQCLSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000130961755 495472721 /nfs/dbraw/zinc/47/27/21/495472721.db2.gz BFYBPTXEIALMOW-CQSZACIVSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000130961755 495472727 /nfs/dbraw/zinc/47/27/27/495472727.db2.gz BFYBPTXEIALMOW-CQSZACIVSA-N 2 1 372.296 3.260 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000577749329 505784882 /nfs/dbraw/zinc/78/48/82/505784882.db2.gz YDBKTVYSVCZGAI-IHPCNDPISA-N 2 1 357.542 3.093 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)C1 ZINC000125729087 495488865 /nfs/dbraw/zinc/48/88/65/495488865.db2.gz YWXHKOFFUBXIKH-GJZGRUSLSA-N 2 1 352.910 3.162 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000107371365 495526080 /nfs/dbraw/zinc/52/60/80/495526080.db2.gz YYWKMLARJQVTSU-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP C[C@@H](C1CC1)[N@@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC1 ZINC000170643295 495543564 /nfs/dbraw/zinc/54/35/64/495543564.db2.gz MACAQTOODWDDHG-INIZCTEOSA-N 2 1 373.566 3.437 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580569170 505788403 /nfs/dbraw/zinc/78/84/03/505788403.db2.gz CAGDHRGXVOFXQE-UNMCSNQZSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000158658496 495561155 /nfs/dbraw/zinc/56/11/55/495561155.db2.gz NDKSUOAMZLCBDZ-BBWFWOEESA-N 2 1 367.559 3.077 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1)C1CCCCC1 ZINC000182534273 495602950 /nfs/dbraw/zinc/60/29/50/495602950.db2.gz WHRCSWFSJPYMTM-IBGZPJMESA-N 2 1 364.555 3.118 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179474759 495605836 /nfs/dbraw/zinc/60/58/36/495605836.db2.gz ORJBFWMSXFFIND-ACRUOGEOSA-N 2 1 370.541 3.092 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000150751239 495621613 /nfs/dbraw/zinc/62/16/13/495621613.db2.gz QFVCBVSMAYVICF-NRFANRHFSA-N 2 1 374.573 3.046 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)CC1 ZINC000159099407 495658013 /nfs/dbraw/zinc/65/80/13/495658013.db2.gz FRBKEFCOSBCNRQ-MRXNPFEDSA-N 2 1 374.504 3.471 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159230612 495688353 /nfs/dbraw/zinc/68/83/53/495688353.db2.gz OOJHFDIXRYFEMA-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159230612 495688356 /nfs/dbraw/zinc/68/83/56/495688356.db2.gz OOJHFDIXRYFEMA-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159230612 495688358 /nfs/dbraw/zinc/68/83/58/495688358.db2.gz OOJHFDIXRYFEMA-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159230612 495688361 /nfs/dbraw/zinc/68/83/61/495688361.db2.gz OOJHFDIXRYFEMA-CEMLEFRQSA-N 2 1 369.553 3.374 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185744994 495708288 /nfs/dbraw/zinc/70/82/88/495708288.db2.gz IBRKXNBMLFIUMO-FGTMMUONSA-N 2 1 373.541 3.115 20 0 FGADMP COc1ccccc1[C@H](C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185744994 495708294 /nfs/dbraw/zinc/70/82/94/495708294.db2.gz IBRKXNBMLFIUMO-FGTMMUONSA-N 2 1 373.541 3.115 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000182804934 495710323 /nfs/dbraw/zinc/71/03/23/495710323.db2.gz FFJFHPRWOOOWGM-UHFFFAOYSA-N 2 1 354.498 3.049 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000182804934 495710332 /nfs/dbraw/zinc/71/03/32/495710332.db2.gz FFJFHPRWOOOWGM-UHFFFAOYSA-N 2 1 354.498 3.049 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897336 495738113 /nfs/dbraw/zinc/73/81/13/495738113.db2.gz UEDRPJOCORKLPS-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897336 495738119 /nfs/dbraw/zinc/73/81/19/495738119.db2.gz UEDRPJOCORKLPS-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897336 495738125 /nfs/dbraw/zinc/73/81/25/495738125.db2.gz UEDRPJOCORKLPS-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C1 ZINC000173897336 495738128 /nfs/dbraw/zinc/73/81/28/495738128.db2.gz UEDRPJOCORKLPS-ZFWWWQNUSA-N 2 1 361.313 3.007 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182893170 495745822 /nfs/dbraw/zinc/74/58/22/495745822.db2.gz AISOUULKXZADEB-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182893170 495745824 /nfs/dbraw/zinc/74/58/24/495745824.db2.gz AISOUULKXZADEB-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000151142068 495751131 /nfs/dbraw/zinc/75/11/31/495751131.db2.gz HVVPWBLWZSUUEG-GOSISDBHSA-N 2 1 368.525 3.171 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154869403 495754665 /nfs/dbraw/zinc/75/46/65/495754665.db2.gz ORTOAKDGNMCEEP-DOTOQJQBSA-N 2 1 358.448 3.273 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154869403 495754666 /nfs/dbraw/zinc/75/46/66/495754666.db2.gz ORTOAKDGNMCEEP-DOTOQJQBSA-N 2 1 358.448 3.273 20 0 FGADMP C[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182954559 495773217 /nfs/dbraw/zinc/77/32/17/495773217.db2.gz GECJUGPNPOFDGA-HNNXBMFYSA-N 2 1 354.336 3.079 20 0 FGADMP COc1ccc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000183150232 495855602 /nfs/dbraw/zinc/85/56/02/495855602.db2.gz VZYBNKMFYGKKSH-HNNXBMFYSA-N 2 1 364.449 3.479 20 0 FGADMP CC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370833 495936955 /nfs/dbraw/zinc/93/69/55/495936955.db2.gz DKYCXPINIZYREW-WIYYLYMNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000177325542 496018769 /nfs/dbraw/zinc/01/87/69/496018769.db2.gz MYISPCDRALIAET-SFHVURJKSA-N 2 1 359.514 3.028 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COCc2ccco2)cc1 ZINC000183687929 496079343 /nfs/dbraw/zinc/07/93/43/496079343.db2.gz KCPKGKNIUOXMOT-BEFAXECRSA-N 2 1 355.438 3.002 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000183711600 496089234 /nfs/dbraw/zinc/08/92/34/496089234.db2.gz WNXHEKCSQITCGK-KBXCAEBGSA-N 2 1 358.511 3.022 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000152271384 496100209 /nfs/dbraw/zinc/10/02/09/496100209.db2.gz UIFWXWCWXOGTPD-AABGKKOBSA-N 2 1 363.546 3.143 20 0 FGADMP COc1cc([C@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc(OC)c1OC ZINC000183952543 496174434 /nfs/dbraw/zinc/17/44/34/496174434.db2.gz ZFZLSOLBSCXHSY-HNNXBMFYSA-N 2 1 350.503 3.485 20 0 FGADMP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)CC1 ZINC000183967816 496181469 /nfs/dbraw/zinc/18/14/69/496181469.db2.gz XBANLCOQHPIVHC-UHFFFAOYSA-N 2 1 365.468 3.000 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(CC(=O)N(Cc2ccccc2)C(C)(C)C)C1 ZINC000174969284 496186262 /nfs/dbraw/zinc/18/62/62/496186262.db2.gz KLMASYQMQJVORT-FQEVSTJZSA-N 2 1 359.558 3.477 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000152562977 496189838 /nfs/dbraw/zinc/18/98/38/496189838.db2.gz HIKHTSWOWMNXTQ-QRWLVFNGSA-N 2 1 369.440 3.410 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000574684409 505831542 /nfs/dbraw/zinc/83/15/42/505831542.db2.gz MPEVTRLDUZKSDW-RBUKOAKNSA-N 2 1 374.550 3.298 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000574684409 505831546 /nfs/dbraw/zinc/83/15/46/505831546.db2.gz MPEVTRLDUZKSDW-RBUKOAKNSA-N 2 1 374.550 3.298 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156444629 496246751 /nfs/dbraw/zinc/24/67/51/496246751.db2.gz NVXVBAHMTOABGP-ICSRJNTNSA-N 2 1 357.542 3.475 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152768858 496250960 /nfs/dbraw/zinc/25/09/60/496250960.db2.gz MJEKUBJXWNCPDQ-XEVCZEQESA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000181061421 496257295 /nfs/dbraw/zinc/25/72/95/496257295.db2.gz OTRWXZQRIYZYJK-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000181066192 496257920 /nfs/dbraw/zinc/25/79/20/496257920.db2.gz BTCUDXCNPDUIIK-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCc3cccc(C)c3)CC2)CC1 ZINC000181105766 496273207 /nfs/dbraw/zinc/27/32/07/496273207.db2.gz GDUKKKPWMDZMKU-UHFFFAOYSA-N 2 1 371.569 3.194 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156668784 496308322 /nfs/dbraw/zinc/30/83/22/496308322.db2.gz YNNTXVQTURHYBN-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000156668784 496308328 /nfs/dbraw/zinc/30/83/28/496308328.db2.gz YNNTXVQTURHYBN-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C12CCCC2 ZINC000181415800 496385963 /nfs/dbraw/zinc/38/59/63/496385963.db2.gz DINOQUMMEUVERF-LEWJYISDSA-N 2 1 358.526 3.346 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)NCc1ccccc1Cl ZINC000157116222 496409790 /nfs/dbraw/zinc/40/97/90/496409790.db2.gz DUQZNLLPEINWNJ-GOSISDBHSA-N 2 1 363.933 3.297 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181518625 496429549 /nfs/dbraw/zinc/42/95/49/496429549.db2.gz LENYTBJVOQXQHQ-VSKRKVRLSA-N 2 1 371.569 3.117 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000574736550 505844663 /nfs/dbraw/zinc/84/46/63/505844663.db2.gz KWXBENSUYPLNDA-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163115551 496467773 /nfs/dbraw/zinc/46/77/73/496467773.db2.gz YXERRLVNIVEMQS-UHFFFAOYSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000153501398 496477386 /nfs/dbraw/zinc/47/73/86/496477386.db2.gz WDNVFDJJLOFGBM-IRXDYDNUSA-N 2 1 368.477 3.487 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1ccc2c(c1)OCO2 ZINC000153501398 496477389 /nfs/dbraw/zinc/47/73/89/496477389.db2.gz WDNVFDJJLOFGBM-IRXDYDNUSA-N 2 1 368.477 3.487 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000175641069 496478952 /nfs/dbraw/zinc/47/89/52/496478952.db2.gz RDIUVIBLRKWSBN-GOSISDBHSA-N 2 1 360.546 3.069 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000157502639 496489922 /nfs/dbraw/zinc/48/99/22/496489922.db2.gz XRXAIVCRRGVYPV-QFIPXVFZSA-N 2 1 372.557 3.024 20 0 FGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926108 505847184 /nfs/dbraw/zinc/84/71/84/505847184.db2.gz JMRCFIFUDQUANB-LAUBAEHRSA-N 2 1 370.447 3.462 20 0 FGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926108 505847185 /nfs/dbraw/zinc/84/71/85/505847185.db2.gz JMRCFIFUDQUANB-LAUBAEHRSA-N 2 1 370.447 3.462 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000157500079 496490141 /nfs/dbraw/zinc/49/01/41/496490141.db2.gz YGJNTMLRFJEZOM-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(F)c1 ZINC000157638715 496521055 /nfs/dbraw/zinc/52/10/55/496521055.db2.gz JICNIMOLSNKZBL-OAQYLSRUSA-N 2 1 360.448 3.295 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)[nH+]c1 ZINC000163538357 496529789 /nfs/dbraw/zinc/52/97/89/496529789.db2.gz JTUBTWDBKMOJRM-MRXNPFEDSA-N 2 1 373.522 3.113 20 0 FGADMP CC[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000184914715 496582989 /nfs/dbraw/zinc/58/29/89/496582989.db2.gz SBARRCSNKBQRGN-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000571952054 505853957 /nfs/dbraw/zinc/85/39/57/505853957.db2.gz BLBMPDGXBBHFCW-UXHICEINSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164271824 496600889 /nfs/dbraw/zinc/60/08/89/496600889.db2.gz QPSIIJNLEQKSBU-NRFANRHFSA-N 2 1 371.569 3.479 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000187881974 496607881 /nfs/dbraw/zinc/60/78/81/496607881.db2.gz VCEUTSBKCSOLNV-FCEWJHQRSA-N 2 1 360.477 3.117 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C[C@H](C)O1 ZINC000187881974 496607888 /nfs/dbraw/zinc/60/78/88/496607888.db2.gz VCEUTSBKCSOLNV-FCEWJHQRSA-N 2 1 360.477 3.117 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960598 505855290 /nfs/dbraw/zinc/85/52/90/505855290.db2.gz PAIKRGVLVOPWOC-WTIAFYNJSA-N 2 1 352.522 3.399 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000153909236 496621256 /nfs/dbraw/zinc/62/12/56/496621256.db2.gz NIQZCMLZNVRRFC-CALCHBBNSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(OC(F)F)cc2)CC1 ZINC000153909236 496621260 /nfs/dbraw/zinc/62/12/60/496621260.db2.gz NIQZCMLZNVRRFC-CALCHBBNSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000164740580 496629907 /nfs/dbraw/zinc/62/99/07/496629907.db2.gz CNXIEQANYBSWOZ-GZOSKZMVSA-N 2 1 366.347 3.346 20 0 FGADMP CC(C)[NH+](CCNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000173326880 496644202 /nfs/dbraw/zinc/64/42/02/496644202.db2.gz UYTJVVGUARUTAV-OAQYLSRUSA-N 2 1 374.573 3.269 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@@H]1CCn2ccnc2C1 ZINC000578084518 505857597 /nfs/dbraw/zinc/85/75/97/505857597.db2.gz QZPQIMIZGWIREX-QAPCUYQASA-N 2 1 372.900 3.052 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000179090793 496671664 /nfs/dbraw/zinc/67/16/64/496671664.db2.gz QGWKHRDSVPNGHR-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000179090793 496671669 /nfs/dbraw/zinc/67/16/69/496671669.db2.gz QGWKHRDSVPNGHR-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000179090793 496671676 /nfs/dbraw/zinc/67/16/76/496671676.db2.gz QGWKHRDSVPNGHR-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000173420285 496685309 /nfs/dbraw/zinc/68/53/09/496685309.db2.gz RDIKAWWXRGUYSO-ZIFCJYIRSA-N 2 1 364.530 3.491 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1)C1CCCCC1 ZINC000188117615 496690183 /nfs/dbraw/zinc/69/01/83/496690183.db2.gz MSZCWLATCVUDAC-UHFFFAOYSA-N 2 1 355.482 3.433 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C12CCC2 ZINC000182225890 496713759 /nfs/dbraw/zinc/71/37/59/496713759.db2.gz BYJSDVYKYWOMKV-QHAWAJNXSA-N 2 1 358.526 3.081 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)CC1 ZINC000191410887 496754545 /nfs/dbraw/zinc/75/45/45/496754545.db2.gz WWIGMSMEZXZPCB-IBGZPJMESA-N 2 1 365.587 3.145 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000247061284 496766511 /nfs/dbraw/zinc/76/65/11/496766511.db2.gz ZTLADUYNOBCCCD-BPAFIMBUSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000247061284 496766515 /nfs/dbraw/zinc/76/65/15/496766515.db2.gz ZTLADUYNOBCCCD-BPAFIMBUSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000247061284 496766517 /nfs/dbraw/zinc/76/65/17/496766517.db2.gz ZTLADUYNOBCCCD-BPAFIMBUSA-N 2 1 364.917 3.028 20 0 FGADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000569158703 505865699 /nfs/dbraw/zinc/86/56/99/505865699.db2.gz VQWNXHJBBMGHMC-HXUWFJFHSA-N 2 1 352.482 3.194 20 0 FGADMP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000247177270 496799197 /nfs/dbraw/zinc/79/91/97/496799197.db2.gz UYOADKHDJJBDAD-HUUCEWRRSA-N 2 1 357.340 3.136 20 0 FGADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccccc1OCC(=O)N(C)C ZINC000268852295 496804555 /nfs/dbraw/zinc/80/45/55/496804555.db2.gz BWFAHJPFSZQTQI-IBGZPJMESA-N 2 1 372.513 3.180 20 0 FGADMP C[C@H]1C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268921534 496823942 /nfs/dbraw/zinc/82/39/42/496823942.db2.gz WVLSDFYGZLUFIK-UNMCSNQZSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@@H]1C[C@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268921531 496824033 /nfs/dbraw/zinc/82/40/33/496824033.db2.gz WVLSDFYGZLUFIK-IFMALSPDSA-N 2 1 371.569 3.274 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)cc1 ZINC000195118539 496825869 /nfs/dbraw/zinc/82/58/69/496825869.db2.gz OBSUBPBTDNNBMO-QGZVFWFLSA-N 2 1 352.910 3.220 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1)C(C)C ZINC000247300945 496829117 /nfs/dbraw/zinc/82/91/17/496829117.db2.gz OXZBWTGZCFYCAE-NHCUHLMSSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1)C(C)C ZINC000247300945 496829120 /nfs/dbraw/zinc/82/91/20/496829120.db2.gz OXZBWTGZCFYCAE-NHCUHLMSSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1)C(C)C ZINC000247300945 496829126 /nfs/dbraw/zinc/82/91/26/496829126.db2.gz OXZBWTGZCFYCAE-NHCUHLMSSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247310477 496832036 /nfs/dbraw/zinc/83/20/36/496832036.db2.gz HCOZWWHFXSNNHL-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1CCN(CC(=O)Nc2ccc(N3CCCC3)cc2)C[C@H]1n1ccnc1 ZINC000247327019 496836354 /nfs/dbraw/zinc/83/63/54/496836354.db2.gz GGYWPNWGVNEKCW-FXAWDEMLSA-N 2 1 367.497 3.005 20 0 FGADMP C[C@H](OC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335758 496838303 /nfs/dbraw/zinc/83/83/03/496838303.db2.gz NELHAWVUPSXVPB-ILRDRHFLSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335758 496838310 /nfs/dbraw/zinc/83/83/10/496838310.db2.gz NELHAWVUPSXVPB-ILRDRHFLSA-N 2 1 354.922 3.193 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000247335758 496838327 /nfs/dbraw/zinc/83/83/27/496838327.db2.gz NELHAWVUPSXVPB-ILRDRHFLSA-N 2 1 354.922 3.193 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247398513 496850433 /nfs/dbraw/zinc/85/04/33/496850433.db2.gz RDALGCVXFLAXPH-ZVDOUQERSA-N 2 1 374.573 3.411 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000247444914 496859613 /nfs/dbraw/zinc/85/96/13/496859613.db2.gz YGJNTMLRFJEZOM-RTBURBONSA-N 2 1 364.578 3.157 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247976715 496937190 /nfs/dbraw/zinc/93/71/90/496937190.db2.gz KZTAYNLAKUVWIF-QKLQHJQFSA-N 2 1 364.530 3.491 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247976715 496937194 /nfs/dbraw/zinc/93/71/94/496937194.db2.gz KZTAYNLAKUVWIF-QKLQHJQFSA-N 2 1 364.530 3.491 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)C1 ZINC000273975992 496978544 /nfs/dbraw/zinc/97/85/44/496978544.db2.gz SVBNRBFZVLQOMS-MRXNPFEDSA-N 2 1 353.466 3.118 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248397842 496994669 /nfs/dbraw/zinc/99/46/69/496994669.db2.gz IGLTUUGPVUMWHE-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248397842 496994671 /nfs/dbraw/zinc/99/46/71/496994671.db2.gz IGLTUUGPVUMWHE-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248397842 496994673 /nfs/dbraw/zinc/99/46/73/496994673.db2.gz IGLTUUGPVUMWHE-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248404050 496998441 /nfs/dbraw/zinc/99/84/41/496998441.db2.gz POPLEJBMIPSFGT-KPFFTGBYSA-N 2 1 373.545 3.019 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248404050 496998448 /nfs/dbraw/zinc/99/84/48/496998448.db2.gz POPLEJBMIPSFGT-KPFFTGBYSA-N 2 1 373.545 3.019 20 0 FGADMP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000569211909 505879747 /nfs/dbraw/zinc/87/97/47/505879747.db2.gz UEMAYPGHJXDBDX-XUVXKRRUSA-N 2 1 359.514 3.040 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185206 497035660 /nfs/dbraw/zinc/03/56/60/497035660.db2.gz DVFZZOMPPPFECP-YJBOKZPZSA-N 2 1 357.523 3.060 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185206 497035663 /nfs/dbraw/zinc/03/56/63/497035663.db2.gz DVFZZOMPPPFECP-YJBOKZPZSA-N 2 1 357.523 3.060 20 0 FGADMP [NH3+][C@H](CCC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1)c1ccccc1 ZINC000574911533 505881732 /nfs/dbraw/zinc/88/17/32/505881732.db2.gz HRVGNWPIGIMVTR-BHDDXSALSA-N 2 1 363.505 3.200 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@H]1C ZINC000248655184 497074405 /nfs/dbraw/zinc/07/44/05/497074405.db2.gz VPPAPVKOAADYQY-QWFCFKBJSA-N 2 1 373.541 3.262 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCS2 ZINC000248854384 497118616 /nfs/dbraw/zinc/11/86/16/497118616.db2.gz QSNQUGOGMFBSNV-YJBOKZPZSA-N 2 1 350.528 3.059 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236660442 497128901 /nfs/dbraw/zinc/12/89/01/497128901.db2.gz KLLUFBWXARQELL-MJGOQNOKSA-N 2 1 357.523 3.337 20 0 FGADMP C[C@@H]1CN(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H](C)O1 ZINC000249044947 497153103 /nfs/dbraw/zinc/15/31/03/497153103.db2.gz VSGAQPBJBAJZIP-WMAOBNEYSA-N 2 1 371.569 3.271 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)[C@H](C)C1 ZINC000249059422 497156947 /nfs/dbraw/zinc/15/69/47/497156947.db2.gz PAKILKUYEVJOKF-LMNJBCLMSA-N 2 1 360.542 3.279 20 0 FGADMP COc1cc(CN2CCC(Oc3ccncc3C)CC2)cc(OC)c1OC ZINC000278650045 497178964 /nfs/dbraw/zinc/17/89/64/497178964.db2.gz JSNWMRIYAPMUIJ-UHFFFAOYSA-N 2 1 372.465 3.459 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000249281776 497186262 /nfs/dbraw/zinc/18/62/62/497186262.db2.gz KZKULHUHFXWAGW-VNHKHXMHSA-N 2 1 352.522 3.336 20 0 FGADMP C[C@H]([NH2+]Cc1cccnc1-n1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274889943 497191623 /nfs/dbraw/zinc/19/16/23/497191623.db2.gz JFQCWHRHYAOOIH-GHTZIAJQSA-N 2 1 361.493 3.268 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000237152426 497197870 /nfs/dbraw/zinc/19/78/70/497197870.db2.gz AZCZKTXEUUWMFX-QFIPXVFZSA-N 2 1 357.542 3.457 20 0 FGADMP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000237178026 497200575 /nfs/dbraw/zinc/20/05/75/497200575.db2.gz WYENJKFOSKOQHC-CRAIPNDOSA-N 2 1 371.447 3.204 20 0 FGADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000192773509 497210900 /nfs/dbraw/zinc/21/09/00/497210900.db2.gz LCBKMXQDXWZPSA-SFHVURJKSA-N 2 1 364.603 3.431 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3cccc(Cl)c3)C2)CC1 ZINC000192779255 497212051 /nfs/dbraw/zinc/21/20/51/497212051.db2.gz BFUCTRHHNCGDSO-HXUWFJFHSA-N 2 1 365.949 3.209 20 0 FGADMP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237292063 497216070 /nfs/dbraw/zinc/21/60/70/497216070.db2.gz LWCJBEPKTDCGGA-LEWJYISDSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)NCC3([NH3+])CCCCCC3)cc2)C[C@@H](C)O1 ZINC000237415724 497233193 /nfs/dbraw/zinc/23/31/93/497233193.db2.gz JEOWGGFKDVUYLL-QZTJIDSGSA-N 2 1 373.541 3.077 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)c2)C[C@@H](C)O1 ZINC000237425753 497234479 /nfs/dbraw/zinc/23/44/79/497234479.db2.gz AAZUUVWLXNZLDB-CBGDNZLLSA-N 2 1 367.493 3.324 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237443972 497237494 /nfs/dbraw/zinc/23/74/94/497237494.db2.gz MVHPSMMACCUKDU-ABSDTBQOSA-N 2 1 371.550 3.412 20 0 FGADMP C[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237511802 497248897 /nfs/dbraw/zinc/24/88/97/497248897.db2.gz OOVWUOZUNQHNRA-LVCYWYKZSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@H](C(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237511802 497248904 /nfs/dbraw/zinc/24/89/04/497248904.db2.gz OOVWUOZUNQHNRA-LVCYWYKZSA-N 2 1 351.494 3.055 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000237524359 497250193 /nfs/dbraw/zinc/25/01/93/497250193.db2.gz LQFJOUKNDVQILU-AVRDEDQJSA-N 2 1 365.521 3.247 20 0 FGADMP C[C@H]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000237548948 497254644 /nfs/dbraw/zinc/25/46/44/497254644.db2.gz CZAVHICKYMDICK-RXVVDRJESA-N 2 1 351.494 3.200 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC000189931830 497297123 /nfs/dbraw/zinc/29/71/23/497297123.db2.gz PYOKRHQMFXARIS-UHFFFAOYSA-N 2 1 356.514 3.093 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccco2)Cc2cccnc2)CC1 ZINC000189931830 497297127 /nfs/dbraw/zinc/29/71/27/497297127.db2.gz PYOKRHQMFXARIS-UHFFFAOYSA-N 2 1 356.514 3.093 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)ncc1F ZINC000279035108 497312401 /nfs/dbraw/zinc/31/24/01/497312401.db2.gz WNYIGLCVOBBTMK-WDEREUQCSA-N 2 1 353.239 3.093 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000238001963 497326526 /nfs/dbraw/zinc/32/65/26/497326526.db2.gz SBIQYXJCPUNRCG-FQEVSTJZSA-N 2 1 355.526 3.006 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)c3cnccc3C)cc2)CC1 ZINC000271406486 497339853 /nfs/dbraw/zinc/33/98/53/497339853.db2.gz MKYSRCWXMZLWLU-IBGZPJMESA-N 2 1 352.526 3.378 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2ccn(C)c21 ZINC000190066831 497344483 /nfs/dbraw/zinc/34/44/83/497344483.db2.gz PHDYWRCWZTWVPV-SFHVURJKSA-N 2 1 371.529 3.058 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000271440442 497350175 /nfs/dbraw/zinc/35/01/75/497350175.db2.gz CDVKVMYMVBMRED-HWHRFOGPSA-N 2 1 368.521 3.114 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C[C@H](O)c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000271440442 497350180 /nfs/dbraw/zinc/35/01/80/497350180.db2.gz CDVKVMYMVBMRED-HWHRFOGPSA-N 2 1 368.521 3.114 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000279157996 497352037 /nfs/dbraw/zinc/35/20/37/497352037.db2.gz TWRFWJJMNLMCOQ-MZADTFQBSA-N 2 1 364.493 3.325 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000279157996 497352039 /nfs/dbraw/zinc/35/20/39/497352039.db2.gz TWRFWJJMNLMCOQ-MZADTFQBSA-N 2 1 364.493 3.325 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000271484963 497360790 /nfs/dbraw/zinc/36/07/90/497360790.db2.gz JLWBWFLREQKJJO-VUCTXSBTSA-N 2 1 372.431 3.456 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000271484954 497360918 /nfs/dbraw/zinc/36/09/18/497360918.db2.gz JLWBWFLREQKJJO-AFAVFJNCSA-N 2 1 372.431 3.456 20 0 FGADMP Cc1cc(N2CCC([NH2+]Cc3ccnn3-c3ccccc3)CC2)nc(C)[nH+]1 ZINC000279195689 497364157 /nfs/dbraw/zinc/36/41/57/497364157.db2.gz UKGNMFFDSSYQKM-UHFFFAOYSA-N 2 1 362.481 3.038 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000245415852 497394876 /nfs/dbraw/zinc/39/48/76/497394876.db2.gz DQEBFRZCNWOBMI-XJKSGUPXSA-N 2 1 368.319 3.050 20 0 FGADMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)c1ccccc1 ZINC000245579416 497464245 /nfs/dbraw/zinc/46/42/45/497464245.db2.gz IKAAKSAMMZGFKU-HLAWJBBLSA-N 2 1 368.525 3.322 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)[nH+]c1 ZINC000193759151 497471614 /nfs/dbraw/zinc/47/16/14/497471614.db2.gz VDEYHNGKIOZPDT-SFHVURJKSA-N 2 1 361.534 3.003 20 0 FGADMP Cc1ccc(NCCCNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[nH+]c1 ZINC000193759151 497471618 /nfs/dbraw/zinc/47/16/18/497471618.db2.gz VDEYHNGKIOZPDT-SFHVURJKSA-N 2 1 361.534 3.003 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000245629445 497479953 /nfs/dbraw/zinc/47/99/53/497479953.db2.gz HHMWMWOJWOWXPL-RTWAWAEBSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](NC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261966812 497484073 /nfs/dbraw/zinc/48/40/73/497484073.db2.gz AXQUUYUONHIPPG-IHPPGPIUSA-N 2 1 369.553 3.167 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261984200 497487272 /nfs/dbraw/zinc/48/72/72/497487272.db2.gz JOPUTYPJEFOMNP-QFIPXVFZSA-N 2 1 368.525 3.499 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261984200 497487276 /nfs/dbraw/zinc/48/72/76/497487276.db2.gz JOPUTYPJEFOMNP-QFIPXVFZSA-N 2 1 368.525 3.499 20 0 FGADMP CN(C)c1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245688484 497502279 /nfs/dbraw/zinc/50/22/79/497502279.db2.gz KAARZVXKBMXTOM-MZADTFQBSA-N 2 1 350.510 3.433 20 0 FGADMP CN(C)c1ncccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245688484 497502284 /nfs/dbraw/zinc/50/22/84/497502284.db2.gz KAARZVXKBMXTOM-MZADTFQBSA-N 2 1 350.510 3.433 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703052 497508127 /nfs/dbraw/zinc/50/81/27/497508127.db2.gz NRIYFJHUSYFXOT-KUHUBIRLSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703052 497508130 /nfs/dbraw/zinc/50/81/30/497508130.db2.gz NRIYFJHUSYFXOT-KUHUBIRLSA-N 2 1 367.896 3.072 20 0 FGADMP CC[NH+](CC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)C1CC1 ZINC000245703052 497508134 /nfs/dbraw/zinc/50/81/34/497508134.db2.gz NRIYFJHUSYFXOT-KUHUBIRLSA-N 2 1 367.896 3.072 20 0 FGADMP Fc1ccc(C(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c2ccc(F)cc2)cc1 ZINC000262107107 497509086 /nfs/dbraw/zinc/50/90/86/497509086.db2.gz JSLMNELBKYRGKG-OAQYLSRUSA-N 2 1 371.475 3.076 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CCO[C@@H](c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000245703876 497509966 /nfs/dbraw/zinc/50/99/66/497509966.db2.gz DQMIPBVAIWKPNG-JOCHJYFZSA-N 2 1 369.509 3.384 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCO[C@@H](c2ccco2)C1)C1CC[NH+](C)CC1 ZINC000245703876 497509969 /nfs/dbraw/zinc/50/99/69/497509969.db2.gz DQMIPBVAIWKPNG-JOCHJYFZSA-N 2 1 369.509 3.384 20 0 FGADMP O=C(NCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000245732116 497520121 /nfs/dbraw/zinc/52/01/21/497520121.db2.gz QHHRCKNQVITUSD-WKCHPHFGSA-N 2 1 355.526 3.078 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227724 497527081 /nfs/dbraw/zinc/52/70/81/497527081.db2.gz GLZKEMICYWIXOX-GDWNZNQCSA-N 2 1 361.574 3.253 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262227726 497527195 /nfs/dbraw/zinc/52/71/95/497527195.db2.gz GLZKEMICYWIXOX-QKKORWCLSA-N 2 1 361.574 3.253 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2Cl)[C@H](C)C1 ZINC000276279219 497535127 /nfs/dbraw/zinc/53/51/27/497535127.db2.gz UABAXDJNDMIXRY-CCKFTAQKSA-N 2 1 372.912 3.239 20 0 FGADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000279779780 497538358 /nfs/dbraw/zinc/53/83/58/497538358.db2.gz UHGBCYPCDSJJNV-HSZRJFAPSA-N 2 1 367.537 3.485 20 0 FGADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000279779780 497538361 /nfs/dbraw/zinc/53/83/61/497538361.db2.gz UHGBCYPCDSJJNV-HSZRJFAPSA-N 2 1 367.537 3.485 20 0 FGADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000279779780 497538362 /nfs/dbraw/zinc/53/83/62/497538362.db2.gz UHGBCYPCDSJJNV-HSZRJFAPSA-N 2 1 367.537 3.485 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000279779780 497538365 /nfs/dbraw/zinc/53/83/65/497538365.db2.gz UHGBCYPCDSJJNV-HSZRJFAPSA-N 2 1 367.537 3.485 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000279779780 497538366 /nfs/dbraw/zinc/53/83/66/497538366.db2.gz UHGBCYPCDSJJNV-HSZRJFAPSA-N 2 1 367.537 3.485 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262312510 497538615 /nfs/dbraw/zinc/53/86/15/497538615.db2.gz PWSWHCLAYAEGNS-LNSITVRQSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262312510 497538621 /nfs/dbraw/zinc/53/86/21/497538621.db2.gz PWSWHCLAYAEGNS-LNSITVRQSA-N 2 1 369.303 3.026 20 0 FGADMP CC1(C)CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000262340731 497542574 /nfs/dbraw/zinc/54/25/74/497542574.db2.gz SSVRWGANXJZCCP-WHSGIHJSSA-N 2 1 369.553 3.263 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000245860401 497552392 /nfs/dbraw/zinc/55/23/92/497552392.db2.gz BZYONADYDYPCTC-TYPHKJRUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000245860401 497552395 /nfs/dbraw/zinc/55/23/95/497552395.db2.gz BZYONADYDYPCTC-TYPHKJRUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000245860401 497552398 /nfs/dbraw/zinc/55/23/98/497552398.db2.gz BZYONADYDYPCTC-TYPHKJRUSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272206563 497563738 /nfs/dbraw/zinc/56/37/38/497563738.db2.gz PLQPETLNVDZCHW-PXNSSMCTSA-N 2 1 372.534 3.090 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C12CCC2 ZINC000245926751 497573590 /nfs/dbraw/zinc/57/35/90/497573590.db2.gz RRDSNIQPDROFQF-IOMROCGXSA-N 2 1 358.526 3.345 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C12CCC2 ZINC000245926751 497573593 /nfs/dbraw/zinc/57/35/93/497573593.db2.gz RRDSNIQPDROFQF-IOMROCGXSA-N 2 1 358.526 3.345 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000267535734 497574016 /nfs/dbraw/zinc/57/40/16/497574016.db2.gz VNKNZYPAFIWCAM-XLIONFOSSA-N 2 1 372.534 3.233 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC[N@H+]1Cc1ccccc1 ZINC000267535734 497574020 /nfs/dbraw/zinc/57/40/20/497574020.db2.gz VNKNZYPAFIWCAM-XLIONFOSSA-N 2 1 372.534 3.233 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000194125369 497580748 /nfs/dbraw/zinc/58/07/48/497580748.db2.gz NONOHFIJNOFBBL-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194169273 497592365 /nfs/dbraw/zinc/59/23/65/497592365.db2.gz LBQGOBCCJWYXJT-GXRSIYKFSA-N 2 1 370.537 3.081 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000194219307 497605341 /nfs/dbraw/zinc/60/53/41/497605341.db2.gz DFAXFPZPNXAMRZ-NRFANRHFSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000578334568 505917503 /nfs/dbraw/zinc/91/75/03/505917503.db2.gz IBQNWUSTRLDVJJ-QIJZPMMNSA-N 2 1 372.557 3.198 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CN(c2ccccc2)CCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334210 505917637 /nfs/dbraw/zinc/91/76/37/505917637.db2.gz CZKOWRIZTIJJFT-IPJJNNNSSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728342 497637407 /nfs/dbraw/zinc/63/74/07/497637407.db2.gz YGCRMEGOEXLQDK-RTBURBONSA-N 2 1 369.553 3.101 20 0 FGADMP COc1cccc(C2([NH2+]CCC[NH+]3CCCCC3)CCOCC2)c1F ZINC000572231105 505920586 /nfs/dbraw/zinc/92/05/86/505920586.db2.gz PBTKVOWWPFOKNV-UHFFFAOYSA-N 2 1 350.478 3.306 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000268045591 497667519 /nfs/dbraw/zinc/66/75/19/497667519.db2.gz QDPYBXVJFNISFJ-FVQBIDKESA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000268045591 497667516 /nfs/dbraw/zinc/66/75/16/497667516.db2.gz QDPYBXVJFNISFJ-FVQBIDKESA-N 2 1 352.320 3.100 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000246274139 497679604 /nfs/dbraw/zinc/67/96/04/497679604.db2.gz JEVRMHAFOLPCCE-JENIJYKNSA-N 2 1 360.546 3.097 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000246279283 497682756 /nfs/dbraw/zinc/68/27/56/497682756.db2.gz MLEPCRYKPGMEEO-PZJWPPBQSA-N 2 1 358.526 3.216 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCCO2 ZINC000246390824 497718511 /nfs/dbraw/zinc/71/85/11/497718511.db2.gz KWDMUCOTORHKKL-NJDAHSKKSA-N 2 1 374.525 3.266 20 0 FGADMP Cc1cc(CNC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000572247717 505925481 /nfs/dbraw/zinc/92/54/81/505925481.db2.gz KZYRARLXEUUXDC-NRFANRHFSA-N 2 1 352.482 3.162 20 0 FGADMP CCOc1ccccc1NC(=O)CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246429980 497732172 /nfs/dbraw/zinc/73/21/72/497732172.db2.gz CNVBOAPGLDNYMH-PXNSSMCTSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246429980 497732188 /nfs/dbraw/zinc/73/21/88/497732188.db2.gz CNVBOAPGLDNYMH-PXNSSMCTSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246429980 497732191 /nfs/dbraw/zinc/73/21/91/497732191.db2.gz CNVBOAPGLDNYMH-PXNSSMCTSA-N 2 1 371.525 3.363 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246442761 497736254 /nfs/dbraw/zinc/73/62/54/497736254.db2.gz IACXPCXCHFMIQT-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000246468994 497745230 /nfs/dbraw/zinc/74/52/30/497745230.db2.gz QJVKHPSZVVVPBG-XNFNUYLZSA-N 2 1 365.949 3.032 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246481277 497748630 /nfs/dbraw/zinc/74/86/30/497748630.db2.gz GOSHYJHOUWUQSH-VCOUNFBDSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246481277 497748634 /nfs/dbraw/zinc/74/86/34/497748634.db2.gz GOSHYJHOUWUQSH-VCOUNFBDSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000246481277 497748638 /nfs/dbraw/zinc/74/86/38/497748638.db2.gz GOSHYJHOUWUQSH-VCOUNFBDSA-N 2 1 369.553 3.291 20 0 FGADMP CCN(C(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246570758 497778178 /nfs/dbraw/zinc/77/81/78/497778178.db2.gz LJCDORISMIFISR-BBTUJRGHSA-N 2 1 355.526 3.377 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)Cc3ccccc3)c2)C1 ZINC000194812405 497779235 /nfs/dbraw/zinc/77/92/35/497779235.db2.gz FWDPTUIWMHQXMW-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)C1 ZINC000194812405 497779239 /nfs/dbraw/zinc/77/92/39/497779239.db2.gz FWDPTUIWMHQXMW-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP CC[NH+]1CC[C@H](CNC(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000194812405 497779244 /nfs/dbraw/zinc/77/92/44/497779244.db2.gz FWDPTUIWMHQXMW-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608069 497787779 /nfs/dbraw/zinc/78/77/79/497787779.db2.gz WPOXYYYJGFOUBE-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608069 497787781 /nfs/dbraw/zinc/78/77/81/497787781.db2.gz WPOXYYYJGFOUBE-ICSRJNTNSA-N 2 1 360.546 3.071 20 0 FGADMP C(CC[NH+]1CC[C@@H]2OCCC[C@@H]2C1)CC[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000246642184 497793435 /nfs/dbraw/zinc/79/34/35/497793435.db2.gz KWEAVQBQIPMYGR-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]2OCCC[C@H]2C1)CC[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246642184 497793436 /nfs/dbraw/zinc/79/34/36/497793436.db2.gz KWEAVQBQIPMYGR-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CC[C@H]2OCCC[C@H]2C1)CC[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000246642184 497793438 /nfs/dbraw/zinc/79/34/38/497793438.db2.gz KWEAVQBQIPMYGR-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000246645969 497794107 /nfs/dbraw/zinc/79/41/07/497794107.db2.gz IIYULRSHXGQYSZ-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000246645969 497794108 /nfs/dbraw/zinc/79/41/08/497794108.db2.gz IIYULRSHXGQYSZ-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000246645969 497794109 /nfs/dbraw/zinc/79/41/09/497794109.db2.gz IIYULRSHXGQYSZ-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000246645969 497794110 /nfs/dbraw/zinc/79/41/10/497794110.db2.gz IIYULRSHXGQYSZ-BPLDGKMQSA-N 2 1 361.313 3.148 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)[C@H]1c1cccs1 ZINC000246729257 497805213 /nfs/dbraw/zinc/80/52/13/497805213.db2.gz YDVQGKHRZROMCK-AHRSYUTCSA-N 2 1 369.534 3.134 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000246734956 497805854 /nfs/dbraw/zinc/80/58/54/497805854.db2.gz XXZUXGYRIKVWFV-XLIONFOSSA-N 2 1 360.546 3.010 20 0 FGADMP Cc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000246747663 497807670 /nfs/dbraw/zinc/80/76/70/497807670.db2.gz NBHAVKTXEXBRHH-KBPBESRZSA-N 2 1 368.319 3.111 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246857328 497816959 /nfs/dbraw/zinc/81/69/59/497816959.db2.gz CKWVEEOBLHHPPQ-WOJBJXKFSA-N 2 1 360.546 3.199 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000246896297 497819127 /nfs/dbraw/zinc/81/91/27/497819127.db2.gz FQSAUKYRORGUPS-KGLIPLIRSA-N 2 1 373.419 3.234 20 0 FGADMP O=C1[C@H](N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCN1c1cccc(F)c1 ZINC000246937724 497821122 /nfs/dbraw/zinc/82/11/22/497821122.db2.gz UBFAQKSCZADJRS-ORYQWCPZSA-N 2 1 371.500 3.270 20 0 FGADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000578443429 505941305 /nfs/dbraw/zinc/94/13/05/505941305.db2.gz UIXBPAAZOGEYMC-OAQYLSRUSA-N 2 1 365.521 3.486 20 0 FGADMP [NH3+]C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240535 505941321 /nfs/dbraw/zinc/94/13/21/505941321.db2.gz JEZNUJRFOJJWNB-CTNGQTDRSA-N 2 1 366.509 3.156 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C)(C)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000569473875 505943825 /nfs/dbraw/zinc/94/38/25/505943825.db2.gz YQULFJAEAKHNON-UXHICEINSA-N 2 1 361.574 3.220 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]3c3ccccc3)CC2)CC1 ZINC000581259690 505945479 /nfs/dbraw/zinc/94/54/79/505945479.db2.gz RFKBUHOBMKDVKI-OAQYLSRUSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCCCN2CC[NH+](Cc3ccccc3)CC2)c2nccn21 ZINC000296078199 497913278 /nfs/dbraw/zinc/91/32/78/497913278.db2.gz SLICKGRLZPGGBX-FPOVZHCZSA-N 2 1 367.541 3.077 20 0 FGADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)CS1 ZINC000575235344 505947898 /nfs/dbraw/zinc/94/78/98/505947898.db2.gz PEUJPMRAGGXPNQ-JZXOWHBKSA-N 2 1 353.601 3.156 20 0 FGADMP CC(C)C1CCC(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000581278008 505949973 /nfs/dbraw/zinc/94/99/73/505949973.db2.gz RMJJPOPZABZONN-UHFFFAOYSA-N 2 1 363.590 3.325 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(OCc2nccn2C)cc1 ZINC000364449203 497963106 /nfs/dbraw/zinc/96/31/06/497963106.db2.gz RUJDDUVUXPVJKF-YTQUADARSA-N 2 1 354.498 3.277 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000285045813 497979275 /nfs/dbraw/zinc/97/92/75/497979275.db2.gz IGYROZGXXWNPFE-GOSISDBHSA-N 2 1 356.470 3.225 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329764 505962493 /nfs/dbraw/zinc/96/24/93/505962493.db2.gz FBNBBAWCXSAUSD-PMACEKPBSA-N 2 1 361.530 3.067 20 0 FGADMP Cc1ccccc1[C@H](N)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000296341603 498005245 /nfs/dbraw/zinc/00/52/45/498005245.db2.gz IKGJPELTZHOJPE-KRWDZBQOSA-N 2 1 358.511 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000575351901 505966919 /nfs/dbraw/zinc/96/69/19/505966919.db2.gz JWAARCRRCJKAIS-LVCYWYKZSA-N 2 1 372.557 3.378 20 0 FGADMP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364229 505971769 /nfs/dbraw/zinc/97/17/69/505971769.db2.gz LFJRCOWHXKERLD-PEWUMXJESA-N 2 1 359.558 3.006 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1OC(=O)C1CC1 ZINC000289242798 498075252 /nfs/dbraw/zinc/07/52/52/498075252.db2.gz AASMCPZXDMPLLM-LJQANCHMSA-N 2 1 372.509 3.174 20 0 FGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000281273920 498084130 /nfs/dbraw/zinc/08/41/30/498084130.db2.gz PLNHOSZCQQBMDV-NRFANRHFSA-N 2 1 370.468 3.444 20 0 FGADMP COc1ccc([C@@H](NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C(C)C)cc1 ZINC000285582331 498136816 /nfs/dbraw/zinc/13/68/16/498136816.db2.gz UBROQIUOHCXDQD-HJKBJPMPSA-N 2 1 373.541 3.066 20 0 FGADMP COC[C@@]1(C)CC[NH+](Cc2ccc(C[N@@H+]3CC[C@](C)(COC)C3)cc2)C1 ZINC000296650347 498137947 /nfs/dbraw/zinc/13/79/47/498137947.db2.gz IYGKOGINIGXWII-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP C[N@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285671457 498166247 /nfs/dbraw/zinc/16/62/47/498166247.db2.gz ZVJBGDKETFWWIY-CKQIIDDLSA-N 2 1 371.294 3.179 20 0 FGADMP C[NH+](C[C@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285671457 498166257 /nfs/dbraw/zinc/16/62/57/498166257.db2.gz ZVJBGDKETFWWIY-CKQIIDDLSA-N 2 1 371.294 3.179 20 0 FGADMP C[N@@H+](C[C@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285671457 498166253 /nfs/dbraw/zinc/16/62/53/498166253.db2.gz ZVJBGDKETFWWIY-CKQIIDDLSA-N 2 1 371.294 3.179 20 0 FGADMP C[NH+](C[C@H](O)c1ccc(F)c(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285671457 498166264 /nfs/dbraw/zinc/16/62/64/498166264.db2.gz ZVJBGDKETFWWIY-CKQIIDDLSA-N 2 1 371.294 3.179 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(F)cc3C(F)(F)F)CC2)CC1 ZINC000289521601 498178085 /nfs/dbraw/zinc/17/80/85/498178085.db2.gz VJPVXRFBYKMXKQ-UHFFFAOYSA-N 2 1 373.438 3.304 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285971487 498255726 /nfs/dbraw/zinc/25/57/26/498255726.db2.gz HFEVFYYQWJHTIL-HNNXBMFYSA-N 2 1 357.498 3.465 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCc4cnc(C5CC5)nc4)[C@@H]3C2)cc1 ZINC000360638110 498291415 /nfs/dbraw/zinc/29/14/15/498291415.db2.gz NHGWLNIUHQWSKL-BHDDXSALSA-N 2 1 362.521 3.397 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165271 498291558 /nfs/dbraw/zinc/29/15/58/498291558.db2.gz VDFCIGAHKDQRNM-HXUWFJFHSA-N 2 1 365.949 3.209 20 0 FGADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790279 498309389 /nfs/dbraw/zinc/30/93/89/498309389.db2.gz DJHJGXWRYBHPQO-RZUBCFFCSA-N 2 1 359.477 3.206 20 0 FGADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790279 498309398 /nfs/dbraw/zinc/30/93/98/498309398.db2.gz DJHJGXWRYBHPQO-RZUBCFFCSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790279 498309406 /nfs/dbraw/zinc/30/94/06/498309406.db2.gz DJHJGXWRYBHPQO-RZUBCFFCSA-N 2 1 359.477 3.206 20 0 FGADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccnc3)C[C@@H]2[C@H]1c1ccccc1 ZINC000360790279 498309413 /nfs/dbraw/zinc/30/94/13/498309413.db2.gz DJHJGXWRYBHPQO-RZUBCFFCSA-N 2 1 359.477 3.206 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000360874198 498319653 /nfs/dbraw/zinc/31/96/53/498319653.db2.gz SDEHKYKKNHHGMI-QFBILLFUSA-N 2 1 366.933 3.166 20 0 FGADMP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207107 498352028 /nfs/dbraw/zinc/35/20/28/498352028.db2.gz JYYDWOCFVRHTCG-MSOLQXFVSA-N 2 1 361.534 3.085 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)C1 ZINC000365207107 498352034 /nfs/dbraw/zinc/35/20/34/498352034.db2.gz JYYDWOCFVRHTCG-MSOLQXFVSA-N 2 1 361.534 3.085 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)cc1O ZINC000289961995 498372048 /nfs/dbraw/zinc/37/20/48/498372048.db2.gz XBDHMLAWCHJNHI-SJORKVTESA-N 2 1 370.493 3.472 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885422 506026110 /nfs/dbraw/zinc/02/61/10/506026110.db2.gz NRZDQFBKKIODQE-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575885422 506026114 /nfs/dbraw/zinc/02/61/14/506026114.db2.gz NRZDQFBKKIODQE-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575885422 506026118 /nfs/dbraw/zinc/02/61/18/506026118.db2.gz NRZDQFBKKIODQE-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)CC2)cs1 ZINC000361768309 498427851 /nfs/dbraw/zinc/42/78/51/498427851.db2.gz PGBXEKFFTSTNFO-IPMKNSEASA-N 2 1 361.555 3.211 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000572719945 506036486 /nfs/dbraw/zinc/03/64/86/506036486.db2.gz YYPDKPCRIKOUNV-LJQANCHMSA-N 2 1 372.557 3.341 20 0 FGADMP Cc1cccc(NC2CC[NH+](C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)[nH+]1 ZINC000365569495 498537505 /nfs/dbraw/zinc/53/75/05/498537505.db2.gz LQBMEOCMCVLFIC-IBGZPJMESA-N 2 1 366.465 3.292 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000581715223 506051915 /nfs/dbraw/zinc/05/19/15/506051915.db2.gz HGYAHHYVCARXMW-RBUKOAKNSA-N 2 1 372.557 3.189 20 0 FGADMP COCCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000282535467 498549781 /nfs/dbraw/zinc/54/97/81/498549781.db2.gz BHZYKENFVFMNMX-SEJPIABJSA-N 2 1 368.525 3.205 20 0 FGADMP COCCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000282535467 498549787 /nfs/dbraw/zinc/54/97/87/498549787.db2.gz BHZYKENFVFMNMX-SEJPIABJSA-N 2 1 368.525 3.205 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999515 506052714 /nfs/dbraw/zinc/05/27/14/506052714.db2.gz ILMJSJFFATYUDV-MRXNPFEDSA-N 2 1 369.444 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999515 506052717 /nfs/dbraw/zinc/05/27/17/506052717.db2.gz ILMJSJFFATYUDV-MRXNPFEDSA-N 2 1 369.444 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000575999515 506052722 /nfs/dbraw/zinc/05/27/22/506052722.db2.gz ILMJSJFFATYUDV-MRXNPFEDSA-N 2 1 369.444 3.421 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCOC2=O)cc1 ZINC000294010447 498561809 /nfs/dbraw/zinc/56/18/09/498561809.db2.gz DGNASMKUQPDUQG-HOTGVXAUSA-N 2 1 354.454 3.143 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000362943293 498584361 /nfs/dbraw/zinc/58/43/61/498584361.db2.gz UESJHLLDBULTBT-NVXWUHKLSA-N 2 1 353.457 3.061 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000362943293 498584368 /nfs/dbraw/zinc/58/43/68/498584368.db2.gz UESJHLLDBULTBT-NVXWUHKLSA-N 2 1 353.457 3.061 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282673165 498606315 /nfs/dbraw/zinc/60/63/15/498606315.db2.gz JFWXOFMRVFFVBS-RTWAWAEBSA-N 2 1 358.526 3.082 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000576043164 506062568 /nfs/dbraw/zinc/06/25/68/506062568.db2.gz DWTHYWGFKVJLFZ-HZEGPAAWSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000363041677 498619249 /nfs/dbraw/zinc/61/92/49/498619249.db2.gz WXZDEXRNSPRJIU-GHTZIAJQSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccc(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)c(-c2cnn(C)c2)c1 ZINC000282798289 498657908 /nfs/dbraw/zinc/65/79/08/498657908.db2.gz ZERAOCJWFRYJEO-UHFFFAOYSA-N 2 1 368.525 3.130 20 0 FGADMP CC(C)c1noc(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000581840999 506071412 /nfs/dbraw/zinc/07/14/12/506071412.db2.gz LKHIKKJZHLKIFK-UHFFFAOYSA-N 2 1 356.514 3.422 20 0 FGADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1Cc1cnn(CC(F)F)c1 ZINC000294377669 498676199 /nfs/dbraw/zinc/67/61/99/498676199.db2.gz URRZWRSHVSORIL-INIZCTEOSA-N 2 1 359.424 3.471 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303503197 498683595 /nfs/dbraw/zinc/68/35/95/498683595.db2.gz VJTWWJKDKCWUQV-HSALFYBXSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303503197 498683599 /nfs/dbraw/zinc/68/35/99/498683599.db2.gz VJTWWJKDKCWUQV-HSALFYBXSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303503197 498683606 /nfs/dbraw/zinc/68/36/06/498683606.db2.gz VJTWWJKDKCWUQV-HSALFYBXSA-N 2 1 374.573 3.174 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000303505552 498683743 /nfs/dbraw/zinc/68/37/43/498683743.db2.gz AZOJUXMUPBCFNU-LEWJYISDSA-N 2 1 372.557 3.387 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)cc1OC ZINC000363175157 498687083 /nfs/dbraw/zinc/68/70/83/498687083.db2.gz OQIFDWLXLSNQJL-KCITZHQASA-N 2 1 362.514 3.244 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000579011837 506074292 /nfs/dbraw/zinc/07/42/92/506074292.db2.gz LMZQAXQYYVJKQL-OTWHNJEPSA-N 2 1 353.514 3.141 20 0 FGADMP CC(C)c1nnc2n1C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c3ccccc3)C1)CC2 ZINC000579011837 506074296 /nfs/dbraw/zinc/07/42/96/506074296.db2.gz LMZQAXQYYVJKQL-OTWHNJEPSA-N 2 1 353.514 3.141 20 0 FGADMP O=C(OCc1ccccc1)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000303987675 498734043 /nfs/dbraw/zinc/73/40/43/498734043.db2.gz LYOSIEWEFOKDMI-UXHICEINSA-N 2 1 357.498 3.004 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)CC2)oc1C ZINC000366038744 498745454 /nfs/dbraw/zinc/74/54/54/498745454.db2.gz MPXNGWQWHDXOQE-UHFFFAOYSA-N 2 1 369.469 3.276 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]C3CCN(c4ccccn4)CC3)C2)cc1 ZINC000311517485 498752776 /nfs/dbraw/zinc/75/27/76/498752776.db2.gz OTPXHHGHQZKQEE-HXUWFJFHSA-N 3 1 350.510 3.162 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646352 498760030 /nfs/dbraw/zinc/76/00/30/498760030.db2.gz KELQXAPHWQXEOM-VXKWHMMOSA-N 2 1 368.521 3.155 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000291032200 498765160 /nfs/dbraw/zinc/76/51/60/498765160.db2.gz GYFCKHFYWLZYAT-QGZVFWFLSA-N 2 1 364.534 3.006 20 0 FGADMP Cc1cccc(NC[C@H]2CCCN2C(=O)c2cccc(C[NH+](C)C)c2)[nH+]1 ZINC000363349589 498775452 /nfs/dbraw/zinc/77/54/52/498775452.db2.gz QRVOPBAOTASPFJ-LJQANCHMSA-N 2 1 352.482 3.168 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)C[N@H+]1C1CC1 ZINC000332827671 498806243 /nfs/dbraw/zinc/80/62/43/498806243.db2.gz LZVCWQWDFGYTSJ-KBAYOESNSA-N 2 1 370.541 3.235 20 0 FGADMP Cn1ccnc1[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000298545396 498808386 /nfs/dbraw/zinc/80/83/86/498808386.db2.gz UCTGLCCMLZRUOK-HXUWFJFHSA-N 2 1 365.456 3.302 20 0 FGADMP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332834852 498809297 /nfs/dbraw/zinc/80/92/97/498809297.db2.gz YAFIALDCRYNYCP-SJLPKXTDSA-N 2 1 370.541 3.094 20 0 FGADMP O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000332834852 498809303 /nfs/dbraw/zinc/80/93/03/498809303.db2.gz YAFIALDCRYNYCP-SJLPKXTDSA-N 2 1 370.541 3.094 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(Cl)ccc1Cl ZINC000324023305 498823797 /nfs/dbraw/zinc/82/37/97/498823797.db2.gz QOZXPJGCVOEIGS-BETUJISGSA-N 2 1 356.297 3.253 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2COc3ccccc3O2)CC[N@@H+]1Cc1ccccc1 ZINC000581963266 506101043 /nfs/dbraw/zinc/10/10/43/506101043.db2.gz SWKCLSYDQYAOQP-RLLQIKCJSA-N 2 1 352.478 3.469 20 0 FGADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000366285722 498858127 /nfs/dbraw/zinc/85/81/27/498858127.db2.gz PQESONPEDMKKRN-DFQSSKMNSA-N 2 1 370.541 3.214 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000581941827 506096276 /nfs/dbraw/zinc/09/62/76/506096276.db2.gz GUQYSUDORHQOAD-FUHWJXTLSA-N 2 1 355.885 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000581941827 506096279 /nfs/dbraw/zinc/09/62/79/506096279.db2.gz GUQYSUDORHQOAD-FUHWJXTLSA-N 2 1 355.885 3.248 20 0 FGADMP Cn1cncc1CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366373675 498898952 /nfs/dbraw/zinc/89/89/52/498898952.db2.gz NBZBCSBEUYZYMV-OXJNMPFZSA-N 2 1 374.916 3.205 20 0 FGADMP COc1ccc(C[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1F ZINC000363660610 498929706 /nfs/dbraw/zinc/92/97/06/498929706.db2.gz GFTALJGHKWTKQE-UHFFFAOYSA-N 3 1 363.521 3.120 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057830 506124093 /nfs/dbraw/zinc/12/40/93/506124093.db2.gz GWRLTRLUVQPFIM-UZLBHIALSA-N 2 1 372.538 3.453 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)nc1 ZINC000582057830 506124097 /nfs/dbraw/zinc/12/40/97/506124097.db2.gz GWRLTRLUVQPFIM-UZLBHIALSA-N 2 1 372.538 3.453 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC000582064822 506125491 /nfs/dbraw/zinc/12/54/91/506125491.db2.gz RKWMDDWIEMIGLC-OAQYLSRUSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834619 499017730 /nfs/dbraw/zinc/01/77/30/499017730.db2.gz RUPCZKXBXXRPKC-RAUXBKROSA-N 2 1 374.525 3.388 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccc2c(c1)OCCCO2 ZINC000363834619 499017735 /nfs/dbraw/zinc/01/77/35/499017735.db2.gz RUPCZKXBXXRPKC-RAUXBKROSA-N 2 1 374.525 3.388 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCCCC1 ZINC000579237514 506126959 /nfs/dbraw/zinc/12/69/59/506126959.db2.gz QYFHAJPBQRSZRH-HXUWFJFHSA-N 2 1 355.526 3.176 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCCCC1 ZINC000579237514 506126960 /nfs/dbraw/zinc/12/69/60/506126960.db2.gz QYFHAJPBQRSZRH-HXUWFJFHSA-N 2 1 355.526 3.176 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)C1 ZINC000333589277 499037002 /nfs/dbraw/zinc/03/70/02/499037002.db2.gz AWLMECZKYXZPAS-NYUBLWNDSA-N 2 1 372.557 3.043 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000363883247 499039302 /nfs/dbraw/zinc/03/93/02/499039302.db2.gz KHMYMDOVBQNQSG-IBGZPJMESA-N 2 1 366.509 3.274 20 0 FGADMP CN1CCC([N@H+](CCO)Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284188276 499065871 /nfs/dbraw/zinc/06/58/71/499065871.db2.gz AXOLKGFJTRPKCP-UHFFFAOYSA-N 2 1 365.930 3.352 20 0 FGADMP CN1CCC([N@@H+](CCO)Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000284188276 499065876 /nfs/dbraw/zinc/06/58/76/499065876.db2.gz AXOLKGFJTRPKCP-UHFFFAOYSA-N 2 1 365.930 3.352 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000570273628 506130334 /nfs/dbraw/zinc/13/03/34/506130334.db2.gz PSDNJFCTJQXESG-HSZRJFAPSA-N 2 1 370.537 3.222 20 0 FGADMP c1cncc(-c2c[nH+]ccc2NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000366816735 499082654 /nfs/dbraw/zinc/08/26/54/499082654.db2.gz FLISWKNHXNGCQS-UHFFFAOYSA-N 2 1 360.461 3.010 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1)c1nccs1 ZINC000284301889 499085199 /nfs/dbraw/zinc/08/51/99/499085199.db2.gz ZEDMKHPIPJWHOD-HKUYNNGSSA-N 2 1 359.539 3.470 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C[C@H](O)C(C)(C)C)CC1 ZINC000284353184 499093603 /nfs/dbraw/zinc/09/36/03/499093603.db2.gz YTCIDWGUUGEBCM-KOQKOIQBSA-N 2 1 362.558 3.177 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC1 ZINC000284353181 499094135 /nfs/dbraw/zinc/09/41/35/499094135.db2.gz YTCIDWGUUGEBCM-GOLJUSPKSA-N 2 1 362.558 3.177 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284359292 499094548 /nfs/dbraw/zinc/09/45/48/499094548.db2.gz NOXKMKCXVSTRCW-IBGZPJMESA-N 2 1 362.477 3.319 20 0 FGADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537283 499141995 /nfs/dbraw/zinc/14/19/95/499141995.db2.gz BMUIGPMCDVQTHT-LEAZDLGRSA-N 2 1 360.546 3.273 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000369872920 499142963 /nfs/dbraw/zinc/14/29/63/499142963.db2.gz QLJDZNUEYXFYTQ-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872920 499142964 /nfs/dbraw/zinc/14/29/64/499142964.db2.gz QLJDZNUEYXFYTQ-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000369872920 499142968 /nfs/dbraw/zinc/14/29/68/499142968.db2.gz QLJDZNUEYXFYTQ-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+][C@@H]3CCCC34CCOCC4)CC2)CC1 ZINC000367091646 499147655 /nfs/dbraw/zinc/14/76/55/499147655.db2.gz ANDJREKBIHLPJE-OAQYLSRUSA-N 3 1 363.590 3.122 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000367295807 499175118 /nfs/dbraw/zinc/17/51/18/499175118.db2.gz TUXUNIMBSKJDCH-UHFFFAOYSA-N 2 1 351.485 3.218 20 0 FGADMP C[NH+]1CCC(N(Cc2ccco2)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000370161831 499190655 /nfs/dbraw/zinc/19/06/55/499190655.db2.gz MHGXNRGRJWGNLU-SFHVURJKSA-N 2 1 373.541 3.357 20 0 FGADMP CCN(C(=O)C[N@H+]1CCC[C@H](c2ncc[nH]2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000370167804 499191532 /nfs/dbraw/zinc/19/15/32/499191532.db2.gz VAOIYOLKJKRDFU-RDJZCZTQSA-N 2 1 358.461 3.338 20 0 FGADMP CCN(C(=O)CN1CCC[C@H](c2ncc[nH]2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000370167804 499191535 /nfs/dbraw/zinc/19/15/35/499191535.db2.gz VAOIYOLKJKRDFU-RDJZCZTQSA-N 2 1 358.461 3.338 20 0 FGADMP CSCCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370214564 499198317 /nfs/dbraw/zinc/19/83/17/499198317.db2.gz DJBGOEROJQQQGF-UHFFFAOYSA-N 2 1 369.619 3.174 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000367532559 499209830 /nfs/dbraw/zinc/20/98/30/499209830.db2.gz BOGIESDWKMGZTB-QHAWAJNXSA-N 2 1 364.493 3.296 20 0 FGADMP CC(C)[C@@H](CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000370682362 499243936 /nfs/dbraw/zinc/24/39/36/499243936.db2.gz QZIZUZYFNOXSSR-JIRNRHONSA-N 2 1 364.578 3.010 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc12 ZINC000370698834 499245747 /nfs/dbraw/zinc/24/57/47/499245747.db2.gz KISJEAGISXEUIV-AVRDEDQJSA-N 2 1 367.537 3.306 20 0 FGADMP C[C@H](C(=O)N1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1)[C@@H]([NH3+])c1ccccc1 ZINC000370772361 499253283 /nfs/dbraw/zinc/25/32/83/499253283.db2.gz KXQMKGQKAYHQQW-WVCANSMHSA-N 2 1 363.505 3.084 20 0 FGADMP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368155534 499269571 /nfs/dbraw/zinc/26/95/71/499269571.db2.gz OTDVJDBLBQJYOG-AZUAARDMSA-N 2 1 365.521 3.389 20 0 FGADMP CCCC(C)(C)NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371078597 499286740 /nfs/dbraw/zinc/28/67/40/499286740.db2.gz GACDDCKBVWCWAG-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3cccc4[nH]ccc43)CC2)CC1 ZINC000371088689 499287695 /nfs/dbraw/zinc/28/76/95/499287695.db2.gz OOCAIWXFWTXZMY-UHFFFAOYSA-N 2 1 368.525 3.094 20 0 FGADMP C[C@@H](CCC(C)(C)C)NC(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368367515 499289312 /nfs/dbraw/zinc/28/93/12/499289312.db2.gz REIYDSIOBRZJMF-WMZOPIPTSA-N 2 1 352.567 3.011 20 0 FGADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000368381593 499290954 /nfs/dbraw/zinc/29/09/54/499290954.db2.gz YCAKETWYHHLMDM-IBGZPJMESA-N 2 1 370.896 3.088 20 0 FGADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C1CC[NH+](C2CCOCC2)CC1 ZINC000368381593 499290955 /nfs/dbraw/zinc/29/09/55/499290955.db2.gz YCAKETWYHHLMDM-IBGZPJMESA-N 2 1 370.896 3.088 20 0 FGADMP C[C@@H]([NH2+]Cc1ccnc(-n2ccnc2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000368421216 499294159 /nfs/dbraw/zinc/29/41/59/499294159.db2.gz BZJFPIDSXLHHHO-NQIIRXRSSA-N 2 1 361.493 3.268 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1SC ZINC000371296168 499307054 /nfs/dbraw/zinc/30/70/54/499307054.db2.gz XKJUPTQEQVECTN-GVDBMIGSSA-N 2 1 350.528 3.101 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1SC ZINC000371296168 499307056 /nfs/dbraw/zinc/30/70/56/499307056.db2.gz XKJUPTQEQVECTN-GVDBMIGSSA-N 2 1 350.528 3.101 20 0 FGADMP Cc1[nH+]c(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c2n1CCCC2 ZINC000371306907 499308483 /nfs/dbraw/zinc/30/84/83/499308483.db2.gz ZATGVBNGEFPMDM-IBGZPJMESA-N 2 1 366.509 3.056 20 0 FGADMP Cc1[nH+]c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2n1CCCC2 ZINC000371306907 499308484 /nfs/dbraw/zinc/30/84/84/499308484.db2.gz ZATGVBNGEFPMDM-IBGZPJMESA-N 2 1 366.509 3.056 20 0 FGADMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(CO)c1 ZINC000368586965 499310591 /nfs/dbraw/zinc/31/05/91/499310591.db2.gz AOBJQFRVNQIUOJ-GOSISDBHSA-N 3 1 359.558 3.026 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000371328927 499310770 /nfs/dbraw/zinc/31/07/70/499310770.db2.gz ALIGWFCIPGILJJ-MRXNPFEDSA-N 2 1 367.457 3.039 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1nc(-c2ncccn2)no1 ZINC000371328927 499310771 /nfs/dbraw/zinc/31/07/71/499310771.db2.gz ALIGWFCIPGILJJ-MRXNPFEDSA-N 2 1 367.457 3.039 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329856 499311298 /nfs/dbraw/zinc/31/12/98/499311298.db2.gz OPRUVDUVMIRKOE-FXAWDEMLSA-N 2 1 369.509 3.208 20 0 FGADMP COc1ccc2cc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)ccc2c1 ZINC000371335008 499312245 /nfs/dbraw/zinc/31/22/45/499312245.db2.gz IJAFKZJFBKGSIS-JOCHJYFZSA-N 2 1 367.537 3.449 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(c2c[nH]c3ccc(C(N)=O)cc32)CC1 ZINC000368624747 499314777 /nfs/dbraw/zinc/31/47/77/499314777.db2.gz WOVVKPQZMOBTTL-GOSISDBHSA-N 2 1 368.525 3.321 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@@H]([NH2+]Cc1cnc3n1CCCC3)c1ccccc1O2 ZINC000368652007 499317667 /nfs/dbraw/zinc/31/76/67/499317667.db2.gz JKDPPLBRJRBQAS-LJQANCHMSA-N 2 1 366.509 3.297 20 0 FGADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1CCc2[nH+]c(C)cn2C1)c1ccccc1 ZINC000371489967 499333725 /nfs/dbraw/zinc/33/37/25/499333725.db2.gz BMCCYFGVZQVMLH-UHOSZYNNSA-N 2 1 354.498 3.142 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000371586024 499344676 /nfs/dbraw/zinc/34/46/76/499344676.db2.gz WABHJGCFGNXEFQ-HOTGVXAUSA-N 2 1 367.497 3.191 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000371586024 499344678 /nfs/dbraw/zinc/34/46/78/499344678.db2.gz WABHJGCFGNXEFQ-HOTGVXAUSA-N 2 1 367.497 3.191 20 0 FGADMP CC[N@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000371841976 499370810 /nfs/dbraw/zinc/37/08/10/499370810.db2.gz DUYGLSJWUFLCNY-CQSZACIVSA-N 2 1 369.962 3.072 20 0 FGADMP COc1ccccc1C[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000369182805 499375223 /nfs/dbraw/zinc/37/52/23/499375223.db2.gz IUNKSGMJWFOCLW-NRFANRHFSA-N 2 1 373.585 3.366 20 0 FGADMP CC(C)c1ccc(CCC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369269721 499385644 /nfs/dbraw/zinc/38/56/44/499385644.db2.gz XELXKSQDTIKWPL-FQEVSTJZSA-N 2 1 357.542 3.027 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000372086818 499397666 /nfs/dbraw/zinc/39/76/66/499397666.db2.gz QHWFPTDXXZUERU-CTNGQTDRSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000372086818 499397668 /nfs/dbraw/zinc/39/76/68/499397668.db2.gz QHWFPTDXXZUERU-CTNGQTDRSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000372086818 499397670 /nfs/dbraw/zinc/39/76/70/499397670.db2.gz QHWFPTDXXZUERU-CTNGQTDRSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[C@H]([NH3+])c1ccccc1 ZINC000372099328 499398911 /nfs/dbraw/zinc/39/89/11/499398911.db2.gz SZMMAGWYXRNEDC-CBVHJVASSA-N 2 1 357.523 3.193 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1NCc1ncc(-c2cccc(F)c2)o1 ZINC000372353674 499424116 /nfs/dbraw/zinc/42/41/16/499424116.db2.gz HFBNXDKDFZXFKK-ATZDWAIDSA-N 2 1 373.472 3.460 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369706806 499438010 /nfs/dbraw/zinc/43/80/10/499438010.db2.gz NFAYSJHSDKEJNJ-LJQANCHMSA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000369706806 499438011 /nfs/dbraw/zinc/43/80/11/499438011.db2.gz NFAYSJHSDKEJNJ-LJQANCHMSA-N 2 1 361.534 3.020 20 0 FGADMP NC(=O)C1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000373142238 499453482 /nfs/dbraw/zinc/45/34/82/499453482.db2.gz SXTWWEOKBMKDNX-LCXRTDQJSA-N 2 1 355.526 3.063 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000373176502 499455611 /nfs/dbraw/zinc/45/56/11/499455611.db2.gz LQJLLAZFMVCUJI-HXUWFJFHSA-N 2 1 359.558 3.173 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558667 499476901 /nfs/dbraw/zinc/47/69/01/499476901.db2.gz CQIXLAWLRPWUNY-RARDXLECSA-N 2 1 374.525 3.170 20 0 FGADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]3CCCO3)C[C@H]1C)CC2 ZINC000373558667 499476902 /nfs/dbraw/zinc/47/69/02/499476902.db2.gz CQIXLAWLRPWUNY-RARDXLECSA-N 2 1 374.525 3.170 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@](C)(O)C3CCCCC3)sc2C1 ZINC000373626305 499480597 /nfs/dbraw/zinc/48/05/97/499480597.db2.gz ZFFCFXIXGFPTPJ-LJQANCHMSA-N 2 1 351.560 3.331 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@](C)(O)C3CCCCC3)sc2C1 ZINC000373626305 499480598 /nfs/dbraw/zinc/48/05/98/499480598.db2.gz ZFFCFXIXGFPTPJ-LJQANCHMSA-N 2 1 351.560 3.331 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@@]23CCOC3)c(C[NH+]2CCC[C@@]23CCOC3)c1 ZINC000375278193 499502644 /nfs/dbraw/zinc/50/26/44/499502644.db2.gz KGPFNJXVVVYOPC-VXKWHMMOSA-N 2 1 356.510 3.196 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355767 499506260 /nfs/dbraw/zinc/50/62/60/499506260.db2.gz PKXDUMXSUXXOHV-QUCCMNQESA-N 2 1 355.526 3.012 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC000378355767 499506262 /nfs/dbraw/zinc/50/62/62/499506262.db2.gz PKXDUMXSUXXOHV-QUCCMNQESA-N 2 1 355.526 3.012 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1C ZINC000378514995 499526487 /nfs/dbraw/zinc/52/64/87/499526487.db2.gz GDYCXHXQWCGSAC-NZSAHSFTSA-N 2 1 372.557 3.434 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1C ZINC000378514995 499526489 /nfs/dbraw/zinc/52/64/89/499526489.db2.gz GDYCXHXQWCGSAC-NZSAHSFTSA-N 2 1 372.557 3.434 20 0 FGADMP C[C@@H](c1ccc2ccccc2c1)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378534239 499529091 /nfs/dbraw/zinc/52/90/91/499529091.db2.gz CCHSGXNTZZFMQX-SFHVURJKSA-N 2 1 354.494 3.060 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C1 ZINC000378581470 499534226 /nfs/dbraw/zinc/53/42/26/499534226.db2.gz VGWYPROMYIUNMG-WMZOPIPTSA-N 2 1 359.518 3.003 20 0 FGADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C1 ZINC000378581470 499534228 /nfs/dbraw/zinc/53/42/28/499534228.db2.gz VGWYPROMYIUNMG-WMZOPIPTSA-N 2 1 359.518 3.003 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000379638496 499541909 /nfs/dbraw/zinc/54/19/09/499541909.db2.gz ZZZKTLXKRRPQJZ-QFBILLFUSA-N 2 1 369.509 3.263 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n(C)c1C ZINC000379638496 499541910 /nfs/dbraw/zinc/54/19/10/499541910.db2.gz ZZZKTLXKRRPQJZ-QFBILLFUSA-N 2 1 369.509 3.263 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622937 499541967 /nfs/dbraw/zinc/54/19/67/499541967.db2.gz HOUMROKIOJSUNH-KSEOMHKRSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000379622937 499541969 /nfs/dbraw/zinc/54/19/69/499541969.db2.gz HOUMROKIOJSUNH-KSEOMHKRSA-N 2 1 368.521 3.377 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000379676787 499542587 /nfs/dbraw/zinc/54/25/87/499542587.db2.gz AWNBERMDCQDTBD-QMMLZNLJSA-N 2 1 357.542 3.453 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852677 499544219 /nfs/dbraw/zinc/54/42/19/499544219.db2.gz CNDHNLOOIKWDFU-VXKWHMMOSA-N 2 1 368.521 3.318 20 0 FGADMP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381942241 499545329 /nfs/dbraw/zinc/54/53/29/499545329.db2.gz ZFFSXIMUTSGDCO-MAUKXSAKSA-N 2 1 366.431 3.446 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c(c1)C[NH2+]C2 ZINC000390989978 499556018 /nfs/dbraw/zinc/55/60/18/499556018.db2.gz WSIFTYBHOWXQGX-FRIKZZABSA-N 2 1 361.489 3.215 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccncc3)c2)[C@@H]2CCC[C@@H]21 ZINC000375854595 499562580 /nfs/dbraw/zinc/56/25/80/499562580.db2.gz UWCZDOFXVNDLDY-ACRUOGEOSA-N 2 1 364.493 3.296 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000398058003 499566253 /nfs/dbraw/zinc/56/62/53/499566253.db2.gz LSIGCNMFHVKYLH-DUXKGJEZSA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000404307298 499570195 /nfs/dbraw/zinc/57/01/95/499570195.db2.gz CPOSYZNUBBZDAI-HAGHYFMRSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000573238946 506151027 /nfs/dbraw/zinc/15/10/27/506151027.db2.gz FKDCPXWUBQWAGX-GCJKJVERSA-N 2 1 366.505 3.333 20 0 FGADMP Cc1ccccc1Cc1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376382172 499604717 /nfs/dbraw/zinc/60/47/17/499604717.db2.gz CZXBRPCRMYMGSA-UHFFFAOYSA-N 2 1 354.498 3.277 20 0 FGADMP Cc1ccccc1Cc1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376382172 499604719 /nfs/dbraw/zinc/60/47/19/499604719.db2.gz CZXBRPCRMYMGSA-UHFFFAOYSA-N 2 1 354.498 3.277 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1nnc(-c2ccccc2)s1 ZINC000376805898 499635734 /nfs/dbraw/zinc/63/57/34/499635734.db2.gz YDELOPBYXABNKK-NXHRZFHOSA-N 2 1 372.538 3.184 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000376927189 499647003 /nfs/dbraw/zinc/64/70/03/499647003.db2.gz YVMYNKSEFRXWRC-NRFANRHFSA-N 2 1 351.494 3.272 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC1 ZINC000410348648 499656610 /nfs/dbraw/zinc/65/66/10/499656610.db2.gz ZMEGJZUKDRRKCC-LJQANCHMSA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410375699 499658476 /nfs/dbraw/zinc/65/84/76/499658476.db2.gz PXHUUFLBIXPFJE-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+]([C@@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307400 499678535 /nfs/dbraw/zinc/67/85/35/499678535.db2.gz IOTBCMVOHVLUNK-FXAWDEMLSA-N 2 1 353.510 3.136 20 0 FGADMP C[C@H](c1nc(C2CC2)no1)N1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377334776 499680764 /nfs/dbraw/zinc/68/07/64/499680764.db2.gz DCVPNJZDAPNHGB-ATZDWAIDSA-N 2 1 352.482 3.462 20 0 FGADMP CN(Cc1ncc(C(C)(C)C)s1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377623326 499711905 /nfs/dbraw/zinc/71/19/05/499711905.db2.gz HVSUYBHSCWRPJJ-INIZCTEOSA-N 2 1 350.576 3.041 20 0 FGADMP CN(Cc1ncc(C(C)(C)C)s1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377623326 499711906 /nfs/dbraw/zinc/71/19/06/499711906.db2.gz HVSUYBHSCWRPJJ-INIZCTEOSA-N 2 1 350.576 3.041 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377628120 499712826 /nfs/dbraw/zinc/71/28/26/499712826.db2.gz OAJJHLQZHAHPRN-FXAWDEMLSA-N 2 1 373.541 3.009 20 0 FGADMP CN(Cc1c(F)cccc1N1CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377634791 499713482 /nfs/dbraw/zinc/71/34/82/499713482.db2.gz YPPUVDMYAHHYEW-LJQANCHMSA-N 2 1 374.548 3.026 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399707 499734715 /nfs/dbraw/zinc/73/47/15/499734715.db2.gz LZVNZLXXDJDPCY-XPWALMASSA-N 3 1 371.569 3.356 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411399707 499734717 /nfs/dbraw/zinc/73/47/17/499734717.db2.gz LZVNZLXXDJDPCY-XPWALMASSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928312 499748802 /nfs/dbraw/zinc/74/88/02/499748802.db2.gz XKXRESZPPNNIPM-XPYUAMARSA-N 2 1 363.933 3.179 20 0 FGADMP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)cc1 ZINC000377958305 499751112 /nfs/dbraw/zinc/75/11/12/499751112.db2.gz NDJROFQTTLYNDR-RXVVDRJESA-N 2 1 357.542 3.054 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000411529914 499751822 /nfs/dbraw/zinc/75/18/22/499751822.db2.gz IRSIXJAKAJAPKF-HNNXBMFYSA-N 2 1 372.538 3.061 20 0 FGADMP C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)N1CCC(c2c[nH]cn2)CC1 ZINC000378051858 499756359 /nfs/dbraw/zinc/75/63/59/499756359.db2.gz CGNMUGFRWNDDMK-LFPRZYRFSA-N 2 1 356.514 3.063 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000378167908 499761778 /nfs/dbraw/zinc/76/17/78/499761778.db2.gz XYRFOORZEIOZTK-VLCRHTCISA-N 3 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000378167908 499761779 /nfs/dbraw/zinc/76/17/79/499761779.db2.gz XYRFOORZEIOZTK-VLCRHTCISA-N 3 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000378167908 499761780 /nfs/dbraw/zinc/76/17/80/499761780.db2.gz XYRFOORZEIOZTK-VLCRHTCISA-N 3 1 359.558 3.117 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000378167908 499761781 /nfs/dbraw/zinc/76/17/81/499761781.db2.gz XYRFOORZEIOZTK-VLCRHTCISA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000378167908 499761782 /nfs/dbraw/zinc/76/17/82/499761782.db2.gz XYRFOORZEIOZTK-VLCRHTCISA-N 2 1 359.558 3.117 20 0 FGADMP CCOC(=O)C[C@@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558925 499762965 /nfs/dbraw/zinc/76/29/65/499762965.db2.gz MQCOVKUEJSLFRX-LEWJYISDSA-N 2 1 374.525 3.215 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414264508 499772731 /nfs/dbraw/zinc/77/27/31/499772731.db2.gz KMQQPHRGBXGELX-CLAROIROSA-N 2 1 360.542 3.317 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000414264508 499772732 /nfs/dbraw/zinc/77/27/32/499772732.db2.gz KMQQPHRGBXGELX-CLAROIROSA-N 2 1 360.542 3.317 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414264509 499772776 /nfs/dbraw/zinc/77/27/76/499772776.db2.gz KMQQPHRGBXGELX-GXRSIYKFSA-N 2 1 360.542 3.317 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000414264509 499772779 /nfs/dbraw/zinc/77/27/79/499772779.db2.gz KMQQPHRGBXGELX-GXRSIYKFSA-N 2 1 360.542 3.317 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000414299568 499775352 /nfs/dbraw/zinc/77/53/52/499775352.db2.gz UHINCXIEHQXSPN-DZFGPLHGSA-N 2 1 356.485 3.402 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000414393524 499785992 /nfs/dbraw/zinc/78/59/92/499785992.db2.gz DNNYSPPMBOWNIW-HMXCVIKNSA-N 2 1 372.488 3.003 20 0 FGADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000414393524 499785994 /nfs/dbraw/zinc/78/59/94/499785994.db2.gz DNNYSPPMBOWNIW-HMXCVIKNSA-N 2 1 372.488 3.003 20 0 FGADMP CC(CC[NH+]1CCC[C@@]2(CCOC2)C1)CC[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000411804514 499792631 /nfs/dbraw/zinc/79/26/31/499792631.db2.gz RLSLMZVHIFSOIJ-FGZHOGPDSA-N 2 1 364.574 3.408 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679880 499819980 /nfs/dbraw/zinc/81/99/80/499819980.db2.gz SHCUFWYZGSRQDW-YLJYHZDGSA-N 2 1 357.542 3.318 20 0 FGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414771739 499828937 /nfs/dbraw/zinc/82/89/37/499828937.db2.gz AIXFKOZWQPDDJD-KBPBESRZSA-N 2 1 353.304 3.279 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412161057 499829187 /nfs/dbraw/zinc/82/91/87/499829187.db2.gz LBXKVFAAZMWLHP-YRIDSSQKSA-N 2 1 357.542 3.275 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412161057 499829188 /nfs/dbraw/zinc/82/91/88/499829188.db2.gz LBXKVFAAZMWLHP-YRIDSSQKSA-N 2 1 357.542 3.275 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412161057 499829189 /nfs/dbraw/zinc/82/91/89/499829189.db2.gz LBXKVFAAZMWLHP-YRIDSSQKSA-N 2 1 357.542 3.275 20 0 FGADMP Clc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCCCO2 ZINC000414784254 499830833 /nfs/dbraw/zinc/83/08/33/499830833.db2.gz RAVSTQVAOUFKPT-HOTGVXAUSA-N 2 1 350.890 3.323 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC3([NH3+])CCCCC3)c2C)cc1 ZINC000414834464 499835832 /nfs/dbraw/zinc/83/58/32/499835832.db2.gz BZKJVXRESTZGHK-UHFFFAOYSA-N 2 1 356.514 3.308 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875262 499840091 /nfs/dbraw/zinc/84/00/91/499840091.db2.gz IXYCQYUEMKHCGO-HNNXBMFYSA-N 2 1 360.889 3.222 20 0 FGADMP C[C@]1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000414900037 499843030 /nfs/dbraw/zinc/84/30/30/499843030.db2.gz CZZZAADEHZUJRC-HKUYNNGSSA-N 2 1 352.906 3.377 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000414902695 499843220 /nfs/dbraw/zinc/84/32/20/499843220.db2.gz LHBBGWIQIOJMKI-HXUWFJFHSA-N 2 1 355.486 3.304 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH2+]C2CC2)c1 ZINC000414906662 499843716 /nfs/dbraw/zinc/84/37/16/499843716.db2.gz MKFFUBMHWDFASE-UHFFFAOYSA-N 2 1 355.486 3.318 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000414909296 499844086 /nfs/dbraw/zinc/84/40/86/499844086.db2.gz RMQGBUPPXUIYCX-CRAIPNDOSA-N 2 1 355.486 3.174 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000414914853 499844372 /nfs/dbraw/zinc/84/43/72/499844372.db2.gz YPFDVDDCFMRQBW-INIZCTEOSA-N 2 1 355.486 3.176 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH2+]1 ZINC000414957241 499848670 /nfs/dbraw/zinc/84/86/70/499848670.db2.gz VYDKYVKDDMDWPO-SUMWQHHRSA-N 2 1 352.404 3.180 20 0 FGADMP Brc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccccc1 ZINC000415036370 499856833 /nfs/dbraw/zinc/85/68/33/499856833.db2.gz LSGOBSOMVHBTNC-MNZLEMJZSA-N 2 1 373.294 3.336 20 0 FGADMP FC(F)(F)c1ccc(Cn2cc(C[NH2+]CCC[NH2+]C3CC3)cn2)cc1 ZINC000415072981 499860777 /nfs/dbraw/zinc/86/07/77/499860777.db2.gz XRUXGEWLWWFAGQ-UHFFFAOYSA-N 2 1 352.404 3.182 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415073040 499860830 /nfs/dbraw/zinc/86/08/30/499860830.db2.gz YVVDOQVXHDBIHO-MLGOLLRUSA-N 2 1 368.319 3.273 20 0 FGADMP c1ccc([C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091539 499862508 /nfs/dbraw/zinc/86/25/08/499862508.db2.gz QQSIYCACODWEDC-VABKMULXSA-N 2 1 365.521 3.143 20 0 FGADMP CCCCCOc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415103251 499863906 /nfs/dbraw/zinc/86/39/06/499863906.db2.gz CYPYGCLFVUIRFV-LJQANCHMSA-N 2 1 357.502 3.143 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111917 499865283 /nfs/dbraw/zinc/86/52/83/499865283.db2.gz RJUMFILJQJWXKV-YADHBBJMSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111917 499865285 /nfs/dbraw/zinc/86/52/85/499865285.db2.gz RJUMFILJQJWXKV-YADHBBJMSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111917 499865286 /nfs/dbraw/zinc/86/52/86/499865286.db2.gz RJUMFILJQJWXKV-YADHBBJMSA-N 2 1 373.585 3.363 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415111917 499865288 /nfs/dbraw/zinc/86/52/88/499865288.db2.gz RJUMFILJQJWXKV-YADHBBJMSA-N 2 1 373.585 3.363 20 0 FGADMP COc1ccc(C)cc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415137945 499869188 /nfs/dbraw/zinc/86/91/88/499869188.db2.gz UNHZIZQYNJDSMG-UHFFFAOYSA-N 2 1 353.510 3.087 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000412692837 499876370 /nfs/dbraw/zinc/87/63/70/499876370.db2.gz DQYHHZCWFFXAEZ-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412692837 499876369 /nfs/dbraw/zinc/87/63/69/499876369.db2.gz DQYHHZCWFFXAEZ-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415914027 499927621 /nfs/dbraw/zinc/92/76/21/499927621.db2.gz UBTKEYWRHSUKQO-FXAWDEMLSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415922068 499928905 /nfs/dbraw/zinc/92/89/05/499928905.db2.gz NGVOGBYXLAVUAC-XLIONFOSSA-N 2 1 366.509 3.438 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(C(=O)Nc3cc(C[NH3+])cc(C(F)(F)F)c3)C2)C1 ZINC000415965961 499934667 /nfs/dbraw/zinc/93/46/67/499934667.db2.gz FWRRAJQQRNGOHS-KRWDZBQOSA-N 2 1 370.419 3.114 20 0 FGADMP CC[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000415973657 499935803 /nfs/dbraw/zinc/93/58/03/499935803.db2.gz JRZXQRYYNQCACA-FQEVSTJZSA-N 2 1 352.482 3.104 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000415977787 499936635 /nfs/dbraw/zinc/93/66/35/499936635.db2.gz YRNRNGCKNNAFER-UTKZUKDTSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415991507 499938407 /nfs/dbraw/zinc/93/84/07/499938407.db2.gz PNVMBLWQOBSKAQ-FQEVSTJZSA-N 2 1 352.482 3.192 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417047784 499957160 /nfs/dbraw/zinc/95/71/60/499957160.db2.gz QXXJUJYCLUAIPK-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000417050383 499957985 /nfs/dbraw/zinc/95/79/85/499957985.db2.gz WUCHRMJCNWODRV-VAMGGRTRSA-N 2 1 364.578 3.062 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573305653 506166932 /nfs/dbraw/zinc/16/69/32/506166932.db2.gz GTZBPKYWLWYFCV-MSOLQXFVSA-N 2 1 367.497 3.128 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050946 499958261 /nfs/dbraw/zinc/95/82/61/499958261.db2.gz YKGIFLSYPYWOJZ-ICSRJNTNSA-N 2 1 360.546 3.278 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000429237328 500029369 /nfs/dbraw/zinc/02/93/69/500029369.db2.gz KRCSTNXYDPNCCH-MRXNPFEDSA-N 2 1 358.486 3.193 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1OC ZINC000429237328 500029373 /nfs/dbraw/zinc/02/93/73/500029373.db2.gz KRCSTNXYDPNCCH-MRXNPFEDSA-N 2 1 358.486 3.193 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000429336921 500054747 /nfs/dbraw/zinc/05/47/47/500054747.db2.gz WYBKBEPCQIOHRJ-GOSISDBHSA-N 2 1 367.468 3.322 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522627 500092705 /nfs/dbraw/zinc/09/27/05/500092705.db2.gz PVCMHJACPZFDRM-UZLBHIALSA-N 2 1 369.484 3.374 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc1 ZINC000429522626 500092746 /nfs/dbraw/zinc/09/27/46/500092746.db2.gz PVCMHJACPZFDRM-OXQOHEQNSA-N 2 1 369.484 3.374 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000429536096 500096268 /nfs/dbraw/zinc/09/62/68/500096268.db2.gz DMSHYDULSDDKKD-OAHLLOKOSA-N 2 1 359.283 3.383 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000429536096 500096271 /nfs/dbraw/zinc/09/62/71/500096271.db2.gz DMSHYDULSDDKKD-OAHLLOKOSA-N 2 1 359.283 3.383 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000429536094 500096385 /nfs/dbraw/zinc/09/63/85/500096385.db2.gz DMSHYDULSDDKKD-HNNXBMFYSA-N 2 1 359.283 3.383 20 0 FGADMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000429536094 500096386 /nfs/dbraw/zinc/09/63/86/500096386.db2.gz DMSHYDULSDDKKD-HNNXBMFYSA-N 2 1 359.283 3.383 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000417537154 500100383 /nfs/dbraw/zinc/10/03/83/500100383.db2.gz CPKXFPHIKWNIOF-PXNSSMCTSA-N 2 1 360.546 3.229 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000429564622 500104634 /nfs/dbraw/zinc/10/46/34/500104634.db2.gz FNOHXQFKGIVHNO-DYESRHJHSA-N 2 1 357.542 3.196 20 0 FGADMP C[C@H]1CC[C@H]([N@@H+](C)CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000429585813 500108697 /nfs/dbraw/zinc/10/86/97/500108697.db2.gz UGWHXUFBPAPFMG-LPHOPBHVSA-N 2 1 361.555 3.294 20 0 FGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429668321 500120579 /nfs/dbraw/zinc/12/05/79/500120579.db2.gz PPBIXCWSFNUADW-CYBMUJFWSA-N 2 1 358.313 3.150 20 0 FGADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000429668321 500120582 /nfs/dbraw/zinc/12/05/82/500120582.db2.gz PPBIXCWSFNUADW-CYBMUJFWSA-N 2 1 358.313 3.150 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000429725071 500132646 /nfs/dbraw/zinc/13/26/46/500132646.db2.gz RJTCHLPOKSYEGS-KRWDZBQOSA-N 2 1 370.324 3.294 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ccc(Cl)c(Cl)c2)CC1 ZINC000429725071 500132650 /nfs/dbraw/zinc/13/26/50/500132650.db2.gz RJTCHLPOKSYEGS-KRWDZBQOSA-N 2 1 370.324 3.294 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000417702895 500152278 /nfs/dbraw/zinc/15/22/78/500152278.db2.gz JEOLDPDOYQXRIN-QUCCMNQESA-N 2 1 358.530 3.126 20 0 FGADMP COc1ccc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C(C)C)c(F)c1 ZINC000421850230 500163153 /nfs/dbraw/zinc/16/31/53/500163153.db2.gz DDUJEQXJDOUVGN-LJQANCHMSA-N 2 1 351.510 3.147 20 0 FGADMP COC1([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCOCC1 ZINC000421867959 500166077 /nfs/dbraw/zinc/16/60/77/500166077.db2.gz PTWBJWRMFCWTPW-FYZZASKESA-N 2 1 358.526 3.071 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000416970975 500170738 /nfs/dbraw/zinc/17/07/38/500170738.db2.gz ONEACTANZWEXRE-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000416976669 500172655 /nfs/dbraw/zinc/17/26/55/500172655.db2.gz OTXACJVUXHHKFK-KRWDZBQOSA-N 2 1 360.546 3.187 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416984257 500174978 /nfs/dbraw/zinc/17/49/78/500174978.db2.gz XZSFWJXBJKAPAJ-QZTJIDSGSA-N 2 1 360.546 3.378 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000417802387 500174998 /nfs/dbraw/zinc/17/49/98/500174998.db2.gz WYAJEGNTWNFPTH-PMACEKPBSA-N 2 1 358.530 3.030 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000416984989 500175427 /nfs/dbraw/zinc/17/54/27/500175427.db2.gz YHOQYYPWBRAHGN-OALUTQOASA-N 2 1 372.557 3.250 20 0 FGADMP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997945 500179704 /nfs/dbraw/zinc/17/97/04/500179704.db2.gz WLRQLUURIQTVFA-LVCYWYKZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417835739 500181307 /nfs/dbraw/zinc/18/13/07/500181307.db2.gz LDHMYGSWROQHAY-QMMLZNLJSA-N 2 1 372.557 3.246 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000417856610 500185399 /nfs/dbraw/zinc/18/53/99/500185399.db2.gz MZEPSWQCMZNNKG-HNAYVOBHSA-N 2 1 357.502 3.257 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000417859177 500185966 /nfs/dbraw/zinc/18/59/66/500185966.db2.gz QYLDTVKMSVFCLH-HSCHXYMDSA-N 2 1 367.497 3.011 20 0 FGADMP [NH2+]=C1Nc2nc3ccccc3n2[C@@]2(CC[N@@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301383 506181192 /nfs/dbraw/zinc/18/11/92/506181192.db2.gz DFIQYPYEIVPSMR-JOCHJYFZSA-N 2 1 372.476 3.468 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000417881815 500190773 /nfs/dbraw/zinc/19/07/73/500190773.db2.gz RJDMRPJPULENAR-NQIIRXRSSA-N 2 1 374.573 3.496 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417918763 500197790 /nfs/dbraw/zinc/19/77/90/500197790.db2.gz YJOHCXKEWGUUJJ-QUCCMNQESA-N 2 1 360.546 3.134 20 0 FGADMP CCCN(C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000417930876 500199911 /nfs/dbraw/zinc/19/99/11/500199911.db2.gz VCRNMLFIOXYKAS-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)N[C@@H](CCC[NH3+])c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417989790 500210588 /nfs/dbraw/zinc/21/05/88/500210588.db2.gz JSGCYXFEAAASHM-CUWPLCDZSA-N 2 1 372.557 3.419 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000430217716 500210784 /nfs/dbraw/zinc/21/07/84/500210784.db2.gz LGYFTEVWYTUJIX-IRLDBZIGSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000430217716 500210785 /nfs/dbraw/zinc/21/07/85/500210785.db2.gz LGYFTEVWYTUJIX-IRLDBZIGSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CCC[NH+](C)C1)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217716 500210786 /nfs/dbraw/zinc/21/07/86/500210786.db2.gz LGYFTEVWYTUJIX-IRLDBZIGSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417996469 500211549 /nfs/dbraw/zinc/21/15/49/500211549.db2.gz GSLBVFDPBYFFBH-DLBZAZTESA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)NCCCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417996469 500211551 /nfs/dbraw/zinc/21/15/51/500211551.db2.gz GSLBVFDPBYFFBH-DLBZAZTESA-N 2 1 370.900 3.041 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000430244199 500214243 /nfs/dbraw/zinc/21/42/43/500214243.db2.gz WFSYLTXKVRPWBZ-QFIPXVFZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430244199 500214245 /nfs/dbraw/zinc/21/42/45/500214245.db2.gz WFSYLTXKVRPWBZ-QFIPXVFZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430244199 500214248 /nfs/dbraw/zinc/21/42/48/500214248.db2.gz WFSYLTXKVRPWBZ-QFIPXVFZSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000418105981 500230602 /nfs/dbraw/zinc/23/06/02/500230602.db2.gz MHMLHOULZMCWSR-YLJYHZDGSA-N 2 1 366.509 3.028 20 0 FGADMP CCCn1ccnc1CCCN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000430501735 500247638 /nfs/dbraw/zinc/24/76/38/500247638.db2.gz TVZPRDIEPHFWMS-HXUWFJFHSA-N 2 1 356.514 3.377 20 0 FGADMP CCCn1ccnc1CCCN(C)C(=O)[C@@H](c1ccccc1)N(C)CC ZINC000430501735 500247641 /nfs/dbraw/zinc/24/76/41/500247641.db2.gz TVZPRDIEPHFWMS-HXUWFJFHSA-N 2 1 356.514 3.377 20 0 FGADMP COc1cccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)c1 ZINC000430551751 500252752 /nfs/dbraw/zinc/25/27/52/500252752.db2.gz IKDBODCEKMHXNH-UHFFFAOYSA-N 2 1 361.511 3.149 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418233516 500253815 /nfs/dbraw/zinc/25/38/15/500253815.db2.gz ISFXEAZSWPJCAC-UYAOXDASSA-N 2 1 360.546 3.105 20 0 FGADMP C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430559252 500253995 /nfs/dbraw/zinc/25/39/95/500253995.db2.gz CIIUJGUQPPYMTM-CYBMUJFWSA-N 2 1 352.429 3.322 20 0 FGADMP C[C@@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430559253 500254493 /nfs/dbraw/zinc/25/44/93/500254493.db2.gz CIIUJGUQPPYMTM-ZDUSSCGKSA-N 2 1 352.429 3.322 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430610085 500261541 /nfs/dbraw/zinc/26/15/41/500261541.db2.gz JTBAEHNQTHEYAR-FXAWDEMLSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430610085 500261543 /nfs/dbraw/zinc/26/15/43/500261543.db2.gz JTBAEHNQTHEYAR-FXAWDEMLSA-N 2 1 357.542 3.318 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000430685949 500270031 /nfs/dbraw/zinc/27/00/31/500270031.db2.gz KHRUOCGZHHFIDC-FQEVSTJZSA-N 2 1 353.466 3.320 20 0 FGADMP CCCc1csc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426408454 500270183 /nfs/dbraw/zinc/27/01/83/500270183.db2.gz AUPMXCDAVQONMO-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP CCCc1csc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000426408454 500270185 /nfs/dbraw/zinc/27/01/85/500270185.db2.gz AUPMXCDAVQONMO-IYBDPMFKSA-N 2 1 351.560 3.417 20 0 FGADMP CCCN(C(=O)NC1CCC([NH3+])CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418386216 500270952 /nfs/dbraw/zinc/27/09/52/500270952.db2.gz MQEIYHBKZBZKSP-CBNMVNINSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418407836 500272908 /nfs/dbraw/zinc/27/29/08/500272908.db2.gz MDCVTXZCUDKRMQ-PMXSJFBMSA-N 2 1 372.557 3.198 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000422562038 500274719 /nfs/dbraw/zinc/27/47/19/500274719.db2.gz PBFILSZGJCCQDB-UWVAXJGDSA-N 2 1 369.509 3.474 20 0 FGADMP Brc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422731106 500291248 /nfs/dbraw/zinc/29/12/48/500291248.db2.gz KZILHAFKBAVIHN-HRCADAONSA-N 2 1 363.303 3.107 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418602957 500296020 /nfs/dbraw/zinc/29/60/20/500296020.db2.gz WFLFQBOSQSKOOQ-DUXKGJEZSA-N 2 1 372.557 3.198 20 0 FGADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000422817994 500302051 /nfs/dbraw/zinc/30/20/51/500302051.db2.gz JBMWALVUYQLAEJ-YADHBBJMSA-N 2 1 359.558 3.307 20 0 FGADMP c1cc(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc(C[NH+]2CCCCCC2)c1 ZINC000422824678 500302413 /nfs/dbraw/zinc/30/24/13/500302413.db2.gz HVJLFYSAVVFJLT-XPWALMASSA-N 2 1 371.569 3.309 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OC2CCCC2)c1 ZINC000422831667 500303486 /nfs/dbraw/zinc/30/34/86/500303486.db2.gz XBSNSVIBDBTABB-PWRODBHTSA-N 2 1 374.525 3.263 20 0 FGADMP CC[NH+](CC)[C@@H](CN[C@@H](C)c1ccc(C[NH3+])nc1C)Cc1ccccc1 ZINC000422831566 500303576 /nfs/dbraw/zinc/30/35/76/500303576.db2.gz JZCXYFCKVAWJNF-LAUBAEHRSA-N 2 1 354.542 3.452 20 0 FGADMP OC1CC[NH+](Cc2ccccc2CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422840513 500304077 /nfs/dbraw/zinc/30/40/77/500304077.db2.gz TVVPSJYUUIVKGU-RJGXRXQPSA-N 2 1 371.569 3.044 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000422835859 500304418 /nfs/dbraw/zinc/30/44/18/500304418.db2.gz JGCRGHRNLVAUAC-RBBKRZOGSA-N 3 1 355.526 3.239 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000422849021 500305539 /nfs/dbraw/zinc/30/55/39/500305539.db2.gz LAMTXQNERPXYNC-CGTJXYLNSA-N 2 1 358.530 3.079 20 0 FGADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430920471 500307095 /nfs/dbraw/zinc/30/70/95/500307095.db2.gz PDCNVFHGKNYKQY-HNNXBMFYSA-N 2 1 364.559 3.129 20 0 FGADMP COc1ccc(OCc2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000430925897 500307880 /nfs/dbraw/zinc/30/78/80/500307880.db2.gz MBNMEBJIRMFTQO-AWEZNQCLSA-N 2 1 361.511 3.290 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)cc1 ZINC000418687135 500308196 /nfs/dbraw/zinc/30/81/96/500308196.db2.gz CYEYFGZERFMEHC-GOSISDBHSA-N 2 1 360.546 3.155 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2Cc2ccccc2)CC1 ZINC000430964336 500314307 /nfs/dbraw/zinc/31/43/07/500314307.db2.gz DNIVGFTXKYINLM-UHFFFAOYSA-N 2 1 351.494 3.147 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000431060887 500330133 /nfs/dbraw/zinc/33/01/33/500330133.db2.gz HEZPZEHFQJITEI-XWDORNJCSA-N 2 1 351.494 3.274 20 0 FGADMP CCC[N@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC000431073438 500332156 /nfs/dbraw/zinc/33/21/56/500332156.db2.gz YASJXYXUMYILMJ-UHFFFAOYSA-N 2 1 357.542 3.079 20 0 FGADMP CCC[N@@H+](CC(=O)NCC1(c2ccccc2)CCCC1)C1CC[NH2+]CC1 ZINC000431073438 500332158 /nfs/dbraw/zinc/33/21/58/500332158.db2.gz YASJXYXUMYILMJ-UHFFFAOYSA-N 2 1 357.542 3.079 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423036787 500333789 /nfs/dbraw/zinc/33/37/89/500333789.db2.gz UUQWOMIHEJSJMC-BVYCBKJFSA-N 3 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423036787 500333790 /nfs/dbraw/zinc/33/37/90/500333790.db2.gz UUQWOMIHEJSJMC-BVYCBKJFSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423036787 500333791 /nfs/dbraw/zinc/33/37/91/500333791.db2.gz UUQWOMIHEJSJMC-BVYCBKJFSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423036793 500333822 /nfs/dbraw/zinc/33/38/22/500333822.db2.gz UUQWOMIHEJSJMC-STZQEDGTSA-N 3 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423036793 500333823 /nfs/dbraw/zinc/33/38/23/500333823.db2.gz UUQWOMIHEJSJMC-STZQEDGTSA-N 2 1 359.558 3.044 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000423036793 500333824 /nfs/dbraw/zinc/33/38/24/500333824.db2.gz UUQWOMIHEJSJMC-STZQEDGTSA-N 2 1 359.558 3.044 20 0 FGADMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)nc12 ZINC000423038256 500333835 /nfs/dbraw/zinc/33/38/35/500333835.db2.gz ODMQMOLOUISWOD-XJKSGUPXSA-N 2 1 365.319 3.068 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Br)ccc1Br ZINC000423054454 500336335 /nfs/dbraw/zinc/33/63/35/500336335.db2.gz UOXXWRVJUYEIRJ-IUCAKERBSA-N 2 1 350.098 3.427 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423065932 500337203 /nfs/dbraw/zinc/33/72/03/500337203.db2.gz VQOLBVSCBGHWOS-GUDVDZBRSA-N 2 1 361.917 3.121 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423079783 500339855 /nfs/dbraw/zinc/33/98/55/500339855.db2.gz AVJMEYYCYNIONJ-PVAVHDDUSA-N 2 1 352.320 3.148 20 0 FGADMP Fc1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1Cl ZINC000423093919 500341206 /nfs/dbraw/zinc/34/12/06/500341206.db2.gz AOWORJLWFLONBO-KEDMZRARSA-N 2 1 352.881 3.472 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102636 500342778 /nfs/dbraw/zinc/34/27/78/500342778.db2.gz KIRVIGRLWOKJEV-YPAWHYETSA-N 2 1 357.542 3.170 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](Cn1ccccc1=O)c1ccccc1 ZINC000423108823 500343401 /nfs/dbraw/zinc/34/34/01/500343401.db2.gz GNJUUVNRUIQGTI-HLAWJBBLSA-N 2 1 353.510 3.490 20 0 FGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423148053 500348441 /nfs/dbraw/zinc/34/84/41/500348441.db2.gz FCJLOKPOWRBXED-XUVXKRRUSA-N 2 1 370.541 3.329 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419286766 500349860 /nfs/dbraw/zinc/34/98/60/500349860.db2.gz FWPSAQBVHHNQCK-SFHVURJKSA-N 2 1 357.542 3.419 20 0 FGADMP Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423169130 500350397 /nfs/dbraw/zinc/35/03/97/500350397.db2.gz ZGBLMFAGFIERFF-KYJSFNMBSA-N 2 1 369.347 3.029 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000573422638 506191369 /nfs/dbraw/zinc/19/13/69/506191369.db2.gz KMGJHZWNYKETGU-HZMCUSHRSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000573422638 506191372 /nfs/dbraw/zinc/19/13/72/506191372.db2.gz KMGJHZWNYKETGU-HZMCUSHRSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000427232823 500371541 /nfs/dbraw/zinc/37/15/41/500371541.db2.gz XIGGYFLVKATCFV-FQEVSTJZSA-N 2 1 370.541 3.404 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000427232823 500371543 /nfs/dbraw/zinc/37/15/43/500371543.db2.gz XIGGYFLVKATCFV-FQEVSTJZSA-N 2 1 370.541 3.404 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000423473748 500377552 /nfs/dbraw/zinc/37/75/52/500377552.db2.gz NXXOSGBPDPQWJV-WHCFWRGISA-N 3 1 359.533 3.419 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCC2 ZINC000423493203 500378749 /nfs/dbraw/zinc/37/87/49/500378749.db2.gz POMIAQVRBBDCSS-DOTOQJQBSA-N 2 1 353.304 3.185 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1SC ZINC000423509693 500380550 /nfs/dbraw/zinc/38/05/50/500380550.db2.gz LWVNDCKCVLRPFU-FAEJEUNOSA-N 2 1 363.571 3.284 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805049 500403388 /nfs/dbraw/zinc/40/33/88/500403388.db2.gz CPOCXTWACUZKAE-HOTGVXAUSA-N 2 1 353.869 3.001 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805049 500403389 /nfs/dbraw/zinc/40/33/89/500403389.db2.gz CPOCXTWACUZKAE-HOTGVXAUSA-N 2 1 353.869 3.001 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423828650 500407445 /nfs/dbraw/zinc/40/74/45/500407445.db2.gz OIXZVQVPMAUFCV-WSTZPKSXSA-N 2 1 357.885 3.292 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000423828650 500407447 /nfs/dbraw/zinc/40/74/47/500407447.db2.gz OIXZVQVPMAUFCV-WSTZPKSXSA-N 2 1 357.885 3.292 20 0 FGADMP CC[C@H](C)[C@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431689310 500408963 /nfs/dbraw/zinc/40/89/63/500408963.db2.gz BKJHDIZCCUXCCM-ROUUACIJSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[C@H](C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)[C@H](C)[NH3+] ZINC000423856409 500412828 /nfs/dbraw/zinc/41/28/28/500412828.db2.gz WUWGJFAOIAUCDV-ICSRJNTNSA-N 2 1 357.542 3.121 20 0 FGADMP [NH3+]CC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900487 500417102 /nfs/dbraw/zinc/41/71/02/500417102.db2.gz KDHRCCNQRWJHLT-VQTJNVASSA-N 2 1 355.526 3.019 20 0 FGADMP [NH3+]CC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCCC1 ZINC000423900481 500417208 /nfs/dbraw/zinc/41/72/08/500417208.db2.gz KDHRCCNQRWJHLT-PMACEKPBSA-N 2 1 355.526 3.019 20 0 FGADMP [NH3+]C[C@H](NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000423969506 500426467 /nfs/dbraw/zinc/42/64/67/500426467.db2.gz VTIUWZZTKGWYAI-HKUYNNGSSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000423972485 500427534 /nfs/dbraw/zinc/42/75/34/500427534.db2.gz PHDLWUVNEURENY-UTKZUKDTSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@H](C(=O)N[C@@H](CCC[NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000423972485 500427537 /nfs/dbraw/zinc/42/75/37/500427537.db2.gz PHDLWUVNEURENY-UTKZUKDTSA-N 2 1 351.494 3.030 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000420306454 500438637 /nfs/dbraw/zinc/43/86/37/500438637.db2.gz LBBTYRGJEJVCNS-GXTWGEPZSA-N 2 1 361.287 3.075 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330585 500442731 /nfs/dbraw/zinc/44/27/31/500442731.db2.gz QEZQHISFTCOWAA-GPMSIDNRSA-N 2 1 361.917 3.157 20 0 FGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334882 500443724 /nfs/dbraw/zinc/44/37/24/500443724.db2.gz UNKZGKTVMZKSCA-KBPBESRZSA-N 2 1 353.304 3.197 20 0 FGADMP c1ccc(-n2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000420335975 500443734 /nfs/dbraw/zinc/44/37/34/500443734.db2.gz VHSSSAYPZGWFNZ-QZTJIDSGSA-N 2 1 350.510 3.183 20 0 FGADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)NC(c1ccccc1)c1ccccc1 ZINC000420366503 500448566 /nfs/dbraw/zinc/44/85/66/500448566.db2.gz RGPJISYZHYGIQR-IBGZPJMESA-N 2 1 353.510 3.245 20 0 FGADMP C[C@@H]1[C@H](c2ccc(Br)cc2)OCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420366133 500448784 /nfs/dbraw/zinc/44/87/84/500448784.db2.gz FNBASCBSCVLGBH-JKIFEVAISA-N 2 1 353.304 3.211 20 0 FGADMP C[C@H]1CC[N@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420369058 500449206 /nfs/dbraw/zinc/44/92/06/500449206.db2.gz BIDFPKNSLWIAGI-RXVVDRJESA-N 2 1 365.521 3.151 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420369058 500449207 /nfs/dbraw/zinc/44/92/07/500449207.db2.gz BIDFPKNSLWIAGI-RXVVDRJESA-N 2 1 365.521 3.151 20 0 FGADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420376274 500450103 /nfs/dbraw/zinc/45/01/03/500450103.db2.gz JUFUQFYBOUGSJM-BLLLJJGKSA-N 2 1 353.392 3.154 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1nn(-c3ccccc3)c3c1CCC3)CC[NH2+]CC2 ZINC000424301148 500483153 /nfs/dbraw/zinc/48/31/53/500483153.db2.gz XFHKTDYTDLVJTI-KRWDZBQOSA-N 2 1 350.510 3.325 20 0 FGADMP CCCNC(=O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000428231483 500484779 /nfs/dbraw/zinc/48/47/79/500484779.db2.gz WFYSKYQVDHSCOI-QHAWAJNXSA-N 2 1 357.542 3.183 20 0 FGADMP C[N@@H+](CCN1CCc2ccccc21)C1CCN(CCc2ccccn2)CC1 ZINC000428238975 500485343 /nfs/dbraw/zinc/48/53/43/500485343.db2.gz AELLYMBFNALWCD-UHFFFAOYSA-N 2 1 364.537 3.083 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(F)c(Cl)c3)nn1)CC[NH2+]CC2 ZINC000424370089 500492392 /nfs/dbraw/zinc/49/23/92/500492392.db2.gz CCYYIYHWBBIZNQ-CYBMUJFWSA-N 2 1 363.868 3.024 20 0 FGADMP CN(C[C@@H]1CCC[N@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000420780810 500499310 /nfs/dbraw/zinc/49/93/10/500499310.db2.gz QMVQOXOPIRYVJL-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)CC1 ZINC000420786023 500501035 /nfs/dbraw/zinc/50/10/35/500501035.db2.gz BIZAADBBBSAWOX-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000420792145 500502193 /nfs/dbraw/zinc/50/21/93/500502193.db2.gz HLNIWOJFDXQKJW-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C1 ZINC000420792145 500502195 /nfs/dbraw/zinc/50/21/95/500502195.db2.gz HLNIWOJFDXQKJW-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)C1 ZINC000420792145 500502198 /nfs/dbraw/zinc/50/21/98/500502198.db2.gz HLNIWOJFDXQKJW-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424435634 500505175 /nfs/dbraw/zinc/50/51/75/500505175.db2.gz LJDAVNMSDTVZCU-IBGZPJMESA-N 2 1 366.509 3.440 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCS2 ZINC000432428909 500515037 /nfs/dbraw/zinc/51/50/37/500515037.db2.gz OBBWOCAWUYKJPN-CRAIPNDOSA-N 2 1 350.528 3.323 20 0 FGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(CN2CCOCC2)cc1 ZINC000420922412 500531135 /nfs/dbraw/zinc/53/11/35/500531135.db2.gz NYMUDSPEPDCMGK-HSZRJFAPSA-N 2 1 368.521 3.208 20 0 FGADMP COC[C@@H](Cc1ccccc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922412 500531138 /nfs/dbraw/zinc/53/11/38/500531138.db2.gz NYMUDSPEPDCMGK-HSZRJFAPSA-N 2 1 368.521 3.208 20 0 FGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922412 500531141 /nfs/dbraw/zinc/53/11/41/500531141.db2.gz NYMUDSPEPDCMGK-HSZRJFAPSA-N 2 1 368.521 3.208 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420928641 500532924 /nfs/dbraw/zinc/53/29/24/500532924.db2.gz BZBBXEWZDLXPEK-GOSISDBHSA-N 2 1 354.494 3.287 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420928641 500532927 /nfs/dbraw/zinc/53/29/27/500532927.db2.gz BZBBXEWZDLXPEK-GOSISDBHSA-N 2 1 354.494 3.287 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420941622 500537174 /nfs/dbraw/zinc/53/71/74/500537174.db2.gz TWNQTMDYPGZBKE-MZKRTTBSSA-N 2 1 371.569 3.356 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420941622 500537176 /nfs/dbraw/zinc/53/71/76/500537176.db2.gz TWNQTMDYPGZBKE-MZKRTTBSSA-N 2 1 371.569 3.356 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CCc4ccccc4C3)CC2)CC1 ZINC000420977078 500545768 /nfs/dbraw/zinc/54/57/68/500545768.db2.gz HQTMBQQEVLJZSB-HXUWFJFHSA-N 2 1 355.570 3.284 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CCCC2)CC1 ZINC000428697543 500545974 /nfs/dbraw/zinc/54/59/74/500545974.db2.gz AYRQCTSCIWTHRF-LJQANCHMSA-N 2 1 372.557 3.387 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3OC3CC3)CC2)CC1 ZINC000420980784 500546698 /nfs/dbraw/zinc/54/66/98/500546698.db2.gz LYNKPSNRILJWAW-UHFFFAOYSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1OCCc2sccc21 ZINC000420982343 500547335 /nfs/dbraw/zinc/54/73/35/500547335.db2.gz ZQUWSGJNLYHMBY-KKSFZXQISA-N 2 1 372.534 3.372 20 0 FGADMP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981978 500547968 /nfs/dbraw/zinc/54/79/68/500547968.db2.gz ZIYKWNTUCDDVBL-FDFHNCONSA-N 2 1 358.526 3.034 20 0 FGADMP O[C@@H]1CCC[C@H]1[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981978 500547969 /nfs/dbraw/zinc/54/79/69/500547969.db2.gz ZIYKWNTUCDDVBL-FDFHNCONSA-N 2 1 358.526 3.034 20 0 FGADMP CN(C(=O)NC1CCC(C[NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000442244136 500575508 /nfs/dbraw/zinc/57/55/08/500575508.db2.gz SKQWENJRHRPFQO-CBNMVNINSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1Cl ZINC000447318621 500591739 /nfs/dbraw/zinc/59/17/39/500591739.db2.gz SXOBBBAQRBYZLC-LBPRGKRZSA-N 2 1 370.324 3.387 20 0 FGADMP Cc1nc2ccc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2s1 ZINC000576647107 506204958 /nfs/dbraw/zinc/20/49/58/506204958.db2.gz GEOIIQRKHAKBAP-SFHVURJKSA-N 2 1 358.555 3.205 20 0 FGADMP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000437043611 500595588 /nfs/dbraw/zinc/59/55/88/500595588.db2.gz VNCCNOQAKMGTMC-FCHUYYIVSA-N 2 1 371.569 3.477 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000442783604 500625658 /nfs/dbraw/zinc/62/56/58/500625658.db2.gz QFOSKTVCFZUPQG-GUXCAODWSA-N 2 1 357.523 3.013 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3cc4c(cc32)CCCC4)CC1(C)C ZINC000442868083 500637390 /nfs/dbraw/zinc/63/73/90/500637390.db2.gz BNEHZFKWAVVBOT-NRFANRHFSA-N 2 1 371.569 3.395 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000447661832 500641278 /nfs/dbraw/zinc/64/12/78/500641278.db2.gz MRSGZTXBVWYVQQ-UHFFFAOYSA-N 2 1 374.529 3.065 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575779 500662842 /nfs/dbraw/zinc/66/28/42/500662842.db2.gz BGMBAAOITOSVFS-PKOBYXMFSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575779 500662847 /nfs/dbraw/zinc/66/28/47/500662847.db2.gz BGMBAAOITOSVFS-PKOBYXMFSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000437575779 500662849 /nfs/dbraw/zinc/66/28/49/500662849.db2.gz BGMBAAOITOSVFS-PKOBYXMFSA-N 2 1 370.459 3.273 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000443057686 500670284 /nfs/dbraw/zinc/67/02/84/500670284.db2.gz HTVXMNWIJDGYOV-CQSZACIVSA-N 2 1 361.511 3.388 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061679 500671243 /nfs/dbraw/zinc/67/12/43/500671243.db2.gz SDKHHXHOHCYTBD-IIBYNOLFSA-N 2 1 361.505 3.234 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000443068434 500673430 /nfs/dbraw/zinc/67/34/30/500673430.db2.gz ICYDEVAZMQAYDN-LBPRGKRZSA-N 2 1 354.376 3.316 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)c2)CCO1 ZINC000433341863 500676564 /nfs/dbraw/zinc/67/65/64/500676564.db2.gz UQOWIKVXAVLGQI-INIZCTEOSA-N 2 1 366.465 3.180 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4cc[nH]n4)o3)c2)CCO1 ZINC000433341863 500676565 /nfs/dbraw/zinc/67/65/65/500676565.db2.gz UQOWIKVXAVLGQI-INIZCTEOSA-N 2 1 366.465 3.180 20 0 FGADMP C[N@H+](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@@H]1CCSC1 ZINC000443226260 500698307 /nfs/dbraw/zinc/69/83/07/500698307.db2.gz RYCKVNSQDGTIEX-QGZVFWFLSA-N 2 1 358.511 3.270 20 0 FGADMP C[N@@H+](Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1)[C@@H]1CCSC1 ZINC000443226260 500698309 /nfs/dbraw/zinc/69/83/09/500698309.db2.gz RYCKVNSQDGTIEX-QGZVFWFLSA-N 2 1 358.511 3.270 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968268 500722723 /nfs/dbraw/zinc/72/27/23/500722723.db2.gz GFZFTEJXUISSNQ-PGRDOPGGSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968268 500722725 /nfs/dbraw/zinc/72/27/25/500722725.db2.gz GFZFTEJXUISSNQ-PGRDOPGGSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968268 500722728 /nfs/dbraw/zinc/72/27/28/500722728.db2.gz GFZFTEJXUISSNQ-PGRDOPGGSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968268 500722729 /nfs/dbraw/zinc/72/27/29/500722729.db2.gz GFZFTEJXUISSNQ-PGRDOPGGSA-N 2 1 356.485 3.498 20 0 FGADMP C[C@@H](C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1 ZINC000437968268 500722732 /nfs/dbraw/zinc/72/27/32/500722732.db2.gz GFZFTEJXUISSNQ-PGRDOPGGSA-N 2 1 356.485 3.498 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000438094917 500737777 /nfs/dbraw/zinc/73/77/77/500737777.db2.gz HLCCLPYFUWHYBA-NRFANRHFSA-N 2 1 374.504 3.003 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448247282 500738254 /nfs/dbraw/zinc/73/82/54/500738254.db2.gz DISVRRYXAXOCQM-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000448247282 500738256 /nfs/dbraw/zinc/73/82/56/500738256.db2.gz DISVRRYXAXOCQM-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CC1 ZINC000448247282 500738257 /nfs/dbraw/zinc/73/82/57/500738257.db2.gz DISVRRYXAXOCQM-LJQANCHMSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000570693696 506214113 /nfs/dbraw/zinc/21/41/13/506214113.db2.gz RJTADPDAZZTTJF-TWFHAPMSSA-N 2 1 372.557 3.091 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438343721 500773783 /nfs/dbraw/zinc/77/37/83/500773783.db2.gz DBWGHLOJAQULBG-FQEVSTJZSA-N 2 1 364.578 3.299 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438348696 500774423 /nfs/dbraw/zinc/77/44/23/500774423.db2.gz YKFZQZNMEHVAJQ-FQEVSTJZSA-N 2 1 364.578 3.157 20 0 FGADMP CN(c1ccccc1CNCC[N@@H+]1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000444009283 500791564 /nfs/dbraw/zinc/79/15/64/500791564.db2.gz BRKGRPGVOMTGAN-UHFFFAOYSA-N 2 1 372.601 3.429 20 0 FGADMP CN(c1ccccc1CNCC[N@H+]1CCCC(C)(C)C1)C1CC[NH+](C)CC1 ZINC000444009283 500791566 /nfs/dbraw/zinc/79/15/66/500791566.db2.gz BRKGRPGVOMTGAN-UHFFFAOYSA-N 2 1 372.601 3.429 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829989 500824547 /nfs/dbraw/zinc/82/45/47/500824547.db2.gz SWJBPNSIPRXERV-JWUVWSEFSA-N 2 1 360.542 3.053 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000438834248 500824700 /nfs/dbraw/zinc/82/47/00/500824700.db2.gz ZUUKNWOIFGKSEV-OXQOHEQNSA-N 2 1 368.525 3.031 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000438958839 500840885 /nfs/dbraw/zinc/84/08/85/500840885.db2.gz KPVOJRVMNAONMC-QGZVFWFLSA-N 2 1 352.567 3.105 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444690 500843478 /nfs/dbraw/zinc/84/34/78/500843478.db2.gz KRHQUMVTDQWZSR-LEWJYISDSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000434444690 500843481 /nfs/dbraw/zinc/84/34/81/500843481.db2.gz KRHQUMVTDQWZSR-LEWJYISDSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000434444690 500843484 /nfs/dbraw/zinc/84/34/84/500843484.db2.gz KRHQUMVTDQWZSR-LEWJYISDSA-N 2 1 355.526 3.174 20 0 FGADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000434444690 500843485 /nfs/dbraw/zinc/84/34/85/500843485.db2.gz KRHQUMVTDQWZSR-LEWJYISDSA-N 2 1 355.526 3.174 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000607668354 506220500 /nfs/dbraw/zinc/22/05/00/506220500.db2.gz KCIUGQMZRXHLPE-HXUWFJFHSA-N 2 1 355.482 3.012 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC000607668354 506220504 /nfs/dbraw/zinc/22/05/04/506220504.db2.gz KCIUGQMZRXHLPE-HXUWFJFHSA-N 2 1 355.482 3.012 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000607668354 506220507 /nfs/dbraw/zinc/22/05/07/506220507.db2.gz KCIUGQMZRXHLPE-HXUWFJFHSA-N 2 1 355.482 3.012 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000607668354 506220512 /nfs/dbraw/zinc/22/05/12/506220512.db2.gz KCIUGQMZRXHLPE-HXUWFJFHSA-N 2 1 355.482 3.012 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000439141268 500863233 /nfs/dbraw/zinc/86/32/33/500863233.db2.gz MZKBKACGZSHWAY-DLBZAZTESA-N 2 1 366.575 3.161 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000434690998 500880100 /nfs/dbraw/zinc/88/01/00/500880100.db2.gz MIPMIQSJTYHMGP-DHSIGJKJSA-N 2 1 371.447 3.332 20 0 FGADMP C[C@H](C[NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449061315 500914671 /nfs/dbraw/zinc/91/46/71/500914671.db2.gz IFEFLFKMXFEERJ-QGZVFWFLSA-N 2 1 366.571 3.438 20 0 FGADMP C[C@H](C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090896 500922768 /nfs/dbraw/zinc/92/27/68/500922768.db2.gz HZVXWQILHGHQAO-DLBZAZTESA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090896 500922771 /nfs/dbraw/zinc/92/27/71/500922771.db2.gz HZVXWQILHGHQAO-DLBZAZTESA-N 2 1 366.571 3.294 20 0 FGADMP COCCN1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449109564 500927629 /nfs/dbraw/zinc/92/76/29/500927629.db2.gz ZKCMDJQYEXFODB-UHFFFAOYSA-N 2 1 353.595 3.366 20 0 FGADMP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000449218124 500950610 /nfs/dbraw/zinc/95/06/10/500950610.db2.gz FOUCHDYCMOZFQO-DBXWQHBBSA-N 2 1 373.541 3.262 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4C[C@H](C[NH3+])C[C@@H]4C)cc3)nc12 ZINC000435375407 500962560 /nfs/dbraw/zinc/96/25/60/500962560.db2.gz UXIRBTGNXWXYOW-HKUYNNGSSA-N 2 1 364.493 3.391 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435376740 500962890 /nfs/dbraw/zinc/96/28/90/500962890.db2.gz UJFLWPHYUQKOTA-KKUMJFAQSA-N 2 1 358.404 3.196 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OCC(F)(F)F ZINC000435376742 500962981 /nfs/dbraw/zinc/96/29/81/500962981.db2.gz UJFLWPHYUQKOTA-SOUVJXGZSA-N 2 1 358.404 3.196 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000435380478 500963549 /nfs/dbraw/zinc/96/35/49/500963549.db2.gz NZVHMNUDRCIDMI-FNHZYXHNSA-N 2 1 360.452 3.327 20 0 FGADMP CSCC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N(C)C ZINC000449330311 500979595 /nfs/dbraw/zinc/97/95/95/500979595.db2.gz SSOQFRNTNLGJRP-KRWDZBQOSA-N 2 1 371.635 3.465 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364939 500987576 /nfs/dbraw/zinc/98/75/76/500987576.db2.gz UKZNWJHZADQPKM-YHYVQYDKSA-N 2 1 356.485 3.372 20 0 FGADMP COC(=O)[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611606862 506228736 /nfs/dbraw/zinc/22/87/36/506228736.db2.gz XQGURFDPYDWVSU-FQEVSTJZSA-N 2 1 360.498 3.079 20 0 FGADMP COC(=O)[C@@H]1CCCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000611606862 506228741 /nfs/dbraw/zinc/22/87/41/506228741.db2.gz XQGURFDPYDWVSU-FQEVSTJZSA-N 2 1 360.498 3.079 20 0 FGADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)C ZINC000449440012 501003859 /nfs/dbraw/zinc/00/38/59/501003859.db2.gz JRRGTYTWFYOGGU-RXVVDRJESA-N 2 1 359.558 3.175 20 0 FGADMP Cc1ccc(C)c(OCC[N@@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435692377 501012915 /nfs/dbraw/zinc/01/29/15/501012915.db2.gz JFRUSOKQOJPVAO-FQEVSTJZSA-N 2 1 368.525 3.060 20 0 FGADMP Cc1ccc(C)c(OCC[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000435692377 501012917 /nfs/dbraw/zinc/01/29/17/501012917.db2.gz JFRUSOKQOJPVAO-FQEVSTJZSA-N 2 1 368.525 3.060 20 0 FGADMP CC(C)(C)CCNC(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693227 501013589 /nfs/dbraw/zinc/01/35/89/501013589.db2.gz LMWRURXBJRTAMZ-QGZVFWFLSA-N 2 1 363.571 3.245 20 0 FGADMP CC(C)(C)CCNC(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435693227 501013593 /nfs/dbraw/zinc/01/35/93/501013593.db2.gz LMWRURXBJRTAMZ-QGZVFWFLSA-N 2 1 363.571 3.245 20 0 FGADMP CN(C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435698231 501013906 /nfs/dbraw/zinc/01/39/06/501013906.db2.gz VNPBBARRPSFXKQ-IBGZPJMESA-N 2 1 369.534 3.355 20 0 FGADMP CN(C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435698231 501013909 /nfs/dbraw/zinc/01/39/09/501013909.db2.gz VNPBBARRPSFXKQ-IBGZPJMESA-N 2 1 369.534 3.355 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000449486445 501015019 /nfs/dbraw/zinc/01/50/19/501015019.db2.gz SHXLWVOEAPUOTO-MSOLQXFVSA-N 2 1 362.514 3.252 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000449557565 501033061 /nfs/dbraw/zinc/03/30/61/501033061.db2.gz UZNZMRBFURXMHP-KNKQGSTJSA-N 2 1 371.569 3.200 20 0 FGADMP CCCOc1cccc2c(NCC[N@@H+]3CCN(C)C(C)(C)C3)ccnc12 ZINC000440652375 501034779 /nfs/dbraw/zinc/03/47/79/501034779.db2.gz MSCRYJKLBWFBIG-UHFFFAOYSA-N 2 1 356.514 3.462 20 0 FGADMP CCCOc1cccc2c(NCC[N@H+]3CCN(C)C(C)(C)C3)ccnc12 ZINC000440652375 501034781 /nfs/dbraw/zinc/03/47/81/501034781.db2.gz MSCRYJKLBWFBIG-UHFFFAOYSA-N 2 1 356.514 3.462 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000449578693 501036923 /nfs/dbraw/zinc/03/69/23/501036923.db2.gz QCVICRLKVVLWTD-CNNODRBYSA-N 2 1 371.569 3.367 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3([NH+](C)C)CCC3)cc2)C1 ZINC000445859037 501042663 /nfs/dbraw/zinc/04/26/63/501042663.db2.gz HQVWXXWEXZTGBK-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP COC[C@H]1CCC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000449781712 501086022 /nfs/dbraw/zinc/08/60/22/501086022.db2.gz XQWVAYZAEUBMBE-IBGZPJMESA-N 2 1 359.558 3.466 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@H]2CCOC2)cc(C(F)(F)F)c1)[C@H]1CCOC1 ZINC000450389909 501108995 /nfs/dbraw/zinc/10/89/95/501108995.db2.gz KVLXDTYHCKINFC-ROUUACIJSA-N 2 1 372.431 3.147 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1(C)C ZINC000441385606 501131195 /nfs/dbraw/zinc/13/11/95/501131195.db2.gz SDACNKMSZPQOMR-UHFFFAOYSA-N 2 1 363.452 3.340 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000607722327 506239586 /nfs/dbraw/zinc/23/95/86/506239586.db2.gz YMGCJFKVGVDION-YLJYHZDGSA-N 2 1 358.530 3.319 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000450730510 501195827 /nfs/dbraw/zinc/19/58/27/501195827.db2.gz WSQBLPHITVBZFY-AEFFLSMTSA-N 2 1 364.555 3.223 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000450730510 501195829 /nfs/dbraw/zinc/19/58/29/501195829.db2.gz WSQBLPHITVBZFY-AEFFLSMTSA-N 2 1 364.555 3.223 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000450791556 501209781 /nfs/dbraw/zinc/20/97/81/501209781.db2.gz MJRCEXHAJFKNQQ-VXKWHMMOSA-N 2 1 352.526 3.138 20 0 FGADMP CN(CC[NH+](C)Cc1ccccc1)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000450791556 501209783 /nfs/dbraw/zinc/20/97/83/501209783.db2.gz MJRCEXHAJFKNQQ-VXKWHMMOSA-N 2 1 352.526 3.138 20 0 FGADMP CN(CC[NH+](C)Cc1ccccc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000450791556 501209785 /nfs/dbraw/zinc/20/97/85/501209785.db2.gz MJRCEXHAJFKNQQ-VXKWHMMOSA-N 2 1 352.526 3.138 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1F)C[C@H]1CCCO1 ZINC000450271284 501222909 /nfs/dbraw/zinc/22/29/09/501222909.db2.gz PPLYMVCSNYUQKV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@H]2CCCO2)ccc1F)C[C@H]1CCCO1 ZINC000450271284 501222911 /nfs/dbraw/zinc/22/29/11/501222911.db2.gz PPLYMVCSNYUQKV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000450271284 501222913 /nfs/dbraw/zinc/22/29/13/501222913.db2.gz PPLYMVCSNYUQKV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000450271284 501222916 /nfs/dbraw/zinc/22/29/16/501222916.db2.gz PPLYMVCSNYUQKV-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP CCCc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(CC)CC4)C3)c2c1 ZINC000450315070 501231779 /nfs/dbraw/zinc/23/17/79/501231779.db2.gz DAGXZDZKDFZQNX-IBGZPJMESA-N 2 1 352.526 3.404 20 0 FGADMP COCCN1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453077058 501264038 /nfs/dbraw/zinc/26/40/38/501264038.db2.gz VYYQYZNLCGTBRO-ZLNRFVROSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453077058 501264041 /nfs/dbraw/zinc/26/40/41/501264041.db2.gz VYYQYZNLCGTBRO-ZLNRFVROSA-N 2 1 371.569 3.130 20 0 FGADMP COCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453077058 501264043 /nfs/dbraw/zinc/26/40/43/501264043.db2.gz VYYQYZNLCGTBRO-ZLNRFVROSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(I)c1 ZINC000453101803 501268974 /nfs/dbraw/zinc/26/89/74/501268974.db2.gz YSAOUCALXUASCG-JTQLQIEISA-N 2 1 362.230 3.175 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453106005 501270152 /nfs/dbraw/zinc/27/01/52/501270152.db2.gz YCQXJUZBCREWQX-ZRBLBEILSA-N 2 1 369.553 3.278 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CCC1 ZINC000453153715 501280296 /nfs/dbraw/zinc/28/02/96/501280296.db2.gz RAFZBPABDQEPOL-BHDDXSALSA-N 2 1 369.553 3.326 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453183494 501286890 /nfs/dbraw/zinc/28/68/90/501286890.db2.gz SKZFFESDHXTDFU-NJDAHSKKSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccsc1)[N@H+]1CCCC[C@H]1C ZINC000457705951 501291864 /nfs/dbraw/zinc/29/18/64/501291864.db2.gz LNQGSCNFKDQEON-IAGOWNOFSA-N 2 1 366.575 3.084 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453213269 501292671 /nfs/dbraw/zinc/29/26/71/501292671.db2.gz MHXMGFDNGYZNST-YPAWHYETSA-N 2 1 368.525 3.062 20 0 FGADMP COCCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453213269 501292676 /nfs/dbraw/zinc/29/26/76/501292676.db2.gz MHXMGFDNGYZNST-YPAWHYETSA-N 2 1 368.525 3.062 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453318812 501314079 /nfs/dbraw/zinc/31/40/79/501314079.db2.gz LMZZSLMJSYRUQU-ZGJYDULXSA-N 2 1 358.526 3.071 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCCc3ccccc3)C2)CC1 ZINC000451535236 501316353 /nfs/dbraw/zinc/31/63/53/501316353.db2.gz ZMLGEXLEKFQSBL-HSZRJFAPSA-N 2 1 371.569 3.276 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCCc3ccccc3)C2)CC1 ZINC000451535236 501316354 /nfs/dbraw/zinc/31/63/54/501316354.db2.gz ZMLGEXLEKFQSBL-HSZRJFAPSA-N 2 1 371.569 3.276 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCCc3ccccc3)C2)CC1 ZINC000451535236 501316356 /nfs/dbraw/zinc/31/63/56/501316356.db2.gz ZMLGEXLEKFQSBL-HSZRJFAPSA-N 2 1 371.569 3.276 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC000451535236 501316358 /nfs/dbraw/zinc/31/63/58/501316358.db2.gz ZMLGEXLEKFQSBL-HSZRJFAPSA-N 2 1 371.569 3.276 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(Br)c1 ZINC000453598734 501357830 /nfs/dbraw/zinc/35/78/30/501357830.db2.gz QECOPPOGDWRZHI-UHFFFAOYSA-N 2 1 369.303 3.200 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)ccc21 ZINC000455924870 501417350 /nfs/dbraw/zinc/41/73/50/501417350.db2.gz MTMYBHHPQOORRC-FFZOFVMBSA-N 2 1 356.514 3.184 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H](C)C1 ZINC000455944820 501422461 /nfs/dbraw/zinc/42/24/61/501422461.db2.gz WBFLLKVGDKSTDK-RYGJVYDSSA-N 2 1 358.530 3.430 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000458379592 501431582 /nfs/dbraw/zinc/43/15/82/501431582.db2.gz SUSSBXZQQYVMAZ-HKUYNNGSSA-N 2 1 360.546 3.240 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000458380817 501431878 /nfs/dbraw/zinc/43/18/78/501431878.db2.gz PDIHZOLUHCNSAT-QGZVFWFLSA-N 2 1 354.583 3.307 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+](C)C)cc1 ZINC000452160164 501448314 /nfs/dbraw/zinc/44/83/14/501448314.db2.gz BWYPDTBKHUIVTR-IEBWSBKVSA-N 2 1 363.571 3.392 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C3CC3)C[C@H](C)C2)cc1)C1CC1 ZINC000452170071 501451331 /nfs/dbraw/zinc/45/13/31/501451331.db2.gz KDKZKSRHOABTSZ-KRWDZBQOSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1)C1CC1 ZINC000452170071 501451334 /nfs/dbraw/zinc/45/13/34/501451334.db2.gz KDKZKSRHOABTSZ-KRWDZBQOSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1)C1CC1 ZINC000452170071 501451336 /nfs/dbraw/zinc/45/13/36/501451336.db2.gz KDKZKSRHOABTSZ-KRWDZBQOSA-N 2 1 355.526 3.227 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459273303 501623376 /nfs/dbraw/zinc/62/33/76/501623376.db2.gz YCDLAFFLHICREO-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273303 501623379 /nfs/dbraw/zinc/62/33/79/501623379.db2.gz YCDLAFFLHICREO-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459273303 501623381 /nfs/dbraw/zinc/62/33/81/501623381.db2.gz YCDLAFFLHICREO-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357329 501638204 /nfs/dbraw/zinc/63/82/04/501638204.db2.gz CUJBKQICJHYNAI-PMACEKPBSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CCO1 ZINC000459357329 501638206 /nfs/dbraw/zinc/63/82/06/501638206.db2.gz CUJBKQICJHYNAI-PMACEKPBSA-N 2 1 357.542 3.220 20 0 FGADMP O=C(C[N@@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459565167 501677721 /nfs/dbraw/zinc/67/77/21/501677721.db2.gz GEZLCAXWRVINKT-QFIPXVFZSA-N 2 1 367.537 3.347 20 0 FGADMP O=C(C[N@H+]1CC2(CCCC2)[C@@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000459565167 501677722 /nfs/dbraw/zinc/67/77/22/501677722.db2.gz GEZLCAXWRVINKT-QFIPXVFZSA-N 2 1 367.537 3.347 20 0 FGADMP CC1CC[NH+](CCc2cccc(NC(=O)N3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)c2)CC1 ZINC000455061958 501680885 /nfs/dbraw/zinc/68/08/85/501680885.db2.gz QAXVZQJTGIVOSC-PZJWPPBQSA-N 2 1 370.541 3.129 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459724402 501704508 /nfs/dbraw/zinc/70/45/08/501704508.db2.gz ASZWJLTVCDLRCV-SJORKVTESA-N 2 1 365.949 3.399 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490141 501709202 /nfs/dbraw/zinc/70/92/02/501709202.db2.gz SUKDEHJMGBYYMK-MAUKXSAKSA-N 2 1 366.937 3.067 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490141 501709203 /nfs/dbraw/zinc/70/92/03/501709203.db2.gz SUKDEHJMGBYYMK-MAUKXSAKSA-N 2 1 366.937 3.067 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000459758718 501710094 /nfs/dbraw/zinc/71/00/94/501710094.db2.gz SNHPKWQWCWTCEZ-COPCDDAFSA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000459758718 501710096 /nfs/dbraw/zinc/71/00/96/501710096.db2.gz SNHPKWQWCWTCEZ-COPCDDAFSA-N 2 1 368.521 3.414 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173302 501729458 /nfs/dbraw/zinc/72/94/58/501729458.db2.gz GAQPSSNATFZPNY-GJHJYOIJSA-N 2 1 370.541 3.138 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(I)c(C)c2)[C@H](C)C1 ZINC000467373660 501779894 /nfs/dbraw/zinc/77/98/94/501779894.db2.gz OOSIDGJZQXEOPN-CJNGLKHVSA-N 2 1 372.294 3.420 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000474306147 501784744 /nfs/dbraw/zinc/78/47/44/501784744.db2.gz DBKGSVWSTPWKGV-UHFFFAOYSA-N 2 1 365.521 3.145 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000467395469 501785314 /nfs/dbraw/zinc/78/53/14/501785314.db2.gz TVLDMSGZSJTPFP-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000467395469 501785316 /nfs/dbraw/zinc/78/53/16/501785316.db2.gz TVLDMSGZSJTPFP-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@H](C)C[NH+]3CCCC3)c2C)cc1 ZINC000463736032 501806920 /nfs/dbraw/zinc/80/69/20/501806920.db2.gz NEPMXBFNFFVOJV-KRWDZBQOSA-N 2 1 370.541 3.378 20 0 FGADMP Cc1ccc([C@H](C)[N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000460382866 501810233 /nfs/dbraw/zinc/81/02/33/501810233.db2.gz VJPKKQPMZDOYGX-GHTZIAJQSA-N 2 1 353.510 3.407 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000474594775 501886691 /nfs/dbraw/zinc/88/66/91/501886691.db2.gz FZVRQPLKPOFEHV-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000474594775 501886695 /nfs/dbraw/zinc/88/66/95/501886695.db2.gz FZVRQPLKPOFEHV-NHCUHLMSSA-N 2 1 373.516 3.267 20 0 FGADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000471012243 501890927 /nfs/dbraw/zinc/89/09/27/501890927.db2.gz NWVCKAIEIFBRAK-OYRHEFFESA-N 2 1 364.489 3.064 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000471012243 501890933 /nfs/dbraw/zinc/89/09/33/501890933.db2.gz NWVCKAIEIFBRAK-OYRHEFFESA-N 2 1 364.489 3.064 20 0 FGADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4ccc5c(c4)OCCO5)C[C@H]3C2)cc1 ZINC000471012243 501890940 /nfs/dbraw/zinc/89/09/40/501890940.db2.gz NWVCKAIEIFBRAK-OYRHEFFESA-N 2 1 364.489 3.064 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000481926730 501921619 /nfs/dbraw/zinc/92/16/19/501921619.db2.gz WPBXXRPHCGNJOX-WBVHZDCISA-N 2 1 358.448 3.463 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@@H]3CCCC[C@@H]32)CC1 ZINC000485910712 501985286 /nfs/dbraw/zinc/98/52/86/501985286.db2.gz XRQWYCGKNDKLIK-BDTNDASRSA-N 2 1 369.553 3.245 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCc1ccccc1F ZINC000482138570 501986497 /nfs/dbraw/zinc/98/64/97/501986497.db2.gz CLHSDNUQPWQXCZ-KPFFTGBYSA-N 2 1 363.521 3.321 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N[C@H](C)c1cccs1 ZINC000482162450 501994422 /nfs/dbraw/zinc/99/44/22/501994422.db2.gz HLDDZXIGYCCGLP-IXDOHACOSA-N 2 1 351.560 3.416 20 0 FGADMP CCCN(C(=O)[C@@H]1C[NH+](C)C[C@H]1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000486027833 502024059 /nfs/dbraw/zinc/02/40/59/502024059.db2.gz KVWMDCVJWASXMJ-HMXCVIKNSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027833 502024064 /nfs/dbraw/zinc/02/40/64/502024064.db2.gz KVWMDCVJWASXMJ-HMXCVIKNSA-N 2 1 357.542 3.087 20 0 FGADMP CCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000486027833 502024069 /nfs/dbraw/zinc/02/40/69/502024069.db2.gz KVWMDCVJWASXMJ-HMXCVIKNSA-N 2 1 357.542 3.087 20 0 FGADMP CC(C)[NH+](CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000475020606 502024148 /nfs/dbraw/zinc/02/41/48/502024148.db2.gz YTLKFDQJZZKLLR-FQEVSTJZSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464643973 502052860 /nfs/dbraw/zinc/05/28/60/502052860.db2.gz QCSYKHFQDSQGFS-YJBOKZPZSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475109864 502062265 /nfs/dbraw/zinc/06/22/65/502062265.db2.gz NADCSXBWERSCNJ-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475109863 502062516 /nfs/dbraw/zinc/06/25/16/502062516.db2.gz NADCSXBWERSCNJ-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(-c2ccccc2)c1 ZINC000482454444 502072913 /nfs/dbraw/zinc/07/29/13/502072913.db2.gz DOLWDGQJJZVFRG-SFHVURJKSA-N 2 1 351.494 3.168 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475137121 502075665 /nfs/dbraw/zinc/07/56/65/502075665.db2.gz JTANWJWATUOMAC-NRFANRHFSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@H](CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000468525293 502092003 /nfs/dbraw/zinc/09/20/03/502092003.db2.gz VDBDZNWYGAEITN-OPYAIIAOSA-N 2 1 357.542 3.058 20 0 FGADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000482556304 502109769 /nfs/dbraw/zinc/10/97/69/502109769.db2.gz JMSMHCJBYNDNFG-AEFFLSMTSA-N 2 1 351.922 3.358 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568550 502113605 /nfs/dbraw/zinc/11/36/05/502113605.db2.gz HFUURTMIQGOGEP-YJBOKZPZSA-N 2 1 371.550 3.456 20 0 FGADMP COCCOc1ccccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475330483 502137940 /nfs/dbraw/zinc/13/79/40/502137940.db2.gz FIESKGPLTRAMRB-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C ZINC000479074070 502155037 /nfs/dbraw/zinc/15/50/37/502155037.db2.gz GDORFXACZGJDIH-KRWDZBQOSA-N 2 1 369.575 3.110 20 0 FGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475554817 502212123 /nfs/dbraw/zinc/21/21/23/502212123.db2.gz NPTVGCFHLRWENA-NRFANRHFSA-N 2 1 351.494 3.095 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000482937008 502221031 /nfs/dbraw/zinc/22/10/31/502221031.db2.gz MRNZLJUXDXYPRX-IBGZPJMESA-N 2 1 361.505 3.028 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000482937008 502221036 /nfs/dbraw/zinc/22/10/36/502221036.db2.gz MRNZLJUXDXYPRX-IBGZPJMESA-N 2 1 361.505 3.028 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000472115257 502237507 /nfs/dbraw/zinc/23/75/07/502237507.db2.gz MBFVZNJPNCKCRY-BGYRXZFFSA-N 2 1 366.594 3.262 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475641125 502240082 /nfs/dbraw/zinc/24/00/82/502240082.db2.gz SJURVDOOVHCUFU-QFIPXVFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475641125 502240088 /nfs/dbraw/zinc/24/00/88/502240088.db2.gz SJURVDOOVHCUFU-QFIPXVFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475641125 502240091 /nfs/dbraw/zinc/24/00/91/502240091.db2.gz SJURVDOOVHCUFU-QFIPXVFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000475641125 502240099 /nfs/dbraw/zinc/24/00/99/502240099.db2.gz SJURVDOOVHCUFU-QFIPXVFZSA-N 2 1 360.542 3.415 20 0 FGADMP C[C@H](CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000479395518 502245828 /nfs/dbraw/zinc/24/58/28/502245828.db2.gz UTIFXVWPRKQQLX-XSYGEPLQSA-N 2 1 360.546 3.097 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000461946413 502247377 /nfs/dbraw/zinc/24/73/77/502247377.db2.gz GSGLERPFHKTQBF-VQTJNVASSA-N 2 1 360.546 3.195 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000461968059 502257286 /nfs/dbraw/zinc/25/72/86/502257286.db2.gz GUXJUANQWQIMSB-UHFFFAOYSA-N 2 1 369.619 3.176 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCc1ccccc1 ZINC000465435654 502262156 /nfs/dbraw/zinc/26/21/56/502262156.db2.gz BPUOMAHUPFSBMW-CTNGQTDRSA-N 2 1 374.573 3.065 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472195882 502265805 /nfs/dbraw/zinc/26/58/05/502265805.db2.gz VWJPWFLBMIUZNX-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccccc1OC(F)(F)F ZINC000483091570 502268234 /nfs/dbraw/zinc/26/82/34/502268234.db2.gz RGOPBYVPNRSFCK-OAHLLOKOSA-N 2 1 357.376 3.194 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000462003255 502269738 /nfs/dbraw/zinc/26/97/38/502269738.db2.gz NXSNHASTBNBNCU-WOJBJXKFSA-N 2 1 366.594 3.260 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC(C)(C)C1 ZINC000483098445 502271008 /nfs/dbraw/zinc/27/10/08/502271008.db2.gz CUCGIPSGUVVQAU-HXUWFJFHSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259592 502288260 /nfs/dbraw/zinc/28/82/60/502288260.db2.gz MHBUEPRCDJAODF-CABCVRRESA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259592 502288263 /nfs/dbraw/zinc/28/82/63/502288263.db2.gz MHBUEPRCDJAODF-CABCVRRESA-N 2 1 364.515 3.292 20 0 FGADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000479538330 502289702 /nfs/dbraw/zinc/28/97/02/502289702.db2.gz BRBWGYDREWUNOZ-YUXAGFNASA-N 2 1 369.553 3.466 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465530086 502290980 /nfs/dbraw/zinc/29/09/80/502290980.db2.gz YREIYOVEWTWINP-RBUKOAKNSA-N 2 1 360.546 3.023 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCC[C@H](c4ccccc4)C3)cn2)CC1 ZINC000486896878 502296880 /nfs/dbraw/zinc/29/68/80/502296880.db2.gz MJPWKTSKFNKLRP-LEWJYISDSA-N 2 1 365.525 3.044 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312675 502311175 /nfs/dbraw/zinc/31/11/75/502311175.db2.gz JUFTWIQVDVZEBD-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312675 502311177 /nfs/dbraw/zinc/31/11/77/502311177.db2.gz JUFTWIQVDVZEBD-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000472312675 502311179 /nfs/dbraw/zinc/31/11/79/502311179.db2.gz JUFTWIQVDVZEBD-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462140184 502321425 /nfs/dbraw/zinc/32/14/25/502321425.db2.gz LNAJUYRURKZBEP-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605636 502322965 /nfs/dbraw/zinc/32/29/65/502322965.db2.gz SMPHTLHNOCADEN-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605636 502322967 /nfs/dbraw/zinc/32/29/67/502322967.db2.gz SMPHTLHNOCADEN-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)Cc1ccccc1 ZINC000465605636 502322971 /nfs/dbraw/zinc/32/29/71/502322971.db2.gz SMPHTLHNOCADEN-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](c1ccccc1)C(C)C ZINC000465620082 502327585 /nfs/dbraw/zinc/32/75/85/502327585.db2.gz UNBZDUHOTRFQHG-SFTDATJTSA-N 2 1 374.573 3.441 20 0 FGADMP Brc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000479683994 502343369 /nfs/dbraw/zinc/34/33/69/502343369.db2.gz AZMJNEYMHOLWOB-KRWDZBQOSA-N 2 1 353.304 3.212 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+]CCC3CCCCC3)c2)C1 ZINC000483313768 502348276 /nfs/dbraw/zinc/34/82/76/502348276.db2.gz XXFUEIBMERQFPK-OAQYLSRUSA-N 2 1 357.542 3.444 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000472453269 502355777 /nfs/dbraw/zinc/35/57/77/502355777.db2.gz ZCJDCIIYPSXNNB-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000472453269 502355781 /nfs/dbraw/zinc/35/57/81/502355781.db2.gz ZCJDCIIYPSXNNB-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000472453269 502355785 /nfs/dbraw/zinc/35/57/85/502355785.db2.gz ZCJDCIIYPSXNNB-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000472453269 502355790 /nfs/dbraw/zinc/35/57/90/502355790.db2.gz ZCJDCIIYPSXNNB-MRXNPFEDSA-N 2 1 367.331 3.492 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688614 506308241 /nfs/dbraw/zinc/30/82/41/506308241.db2.gz TVWCYJKZZASFRJ-IFMALSPDSA-N 2 1 354.494 3.229 20 0 FGADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C2CC2)cc1 ZINC000588688614 506308245 /nfs/dbraw/zinc/30/82/45/506308245.db2.gz TVWCYJKZZASFRJ-IFMALSPDSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000465753528 502371283 /nfs/dbraw/zinc/37/12/83/502371283.db2.gz KFHBBOBQINFQKU-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000465753528 502371284 /nfs/dbraw/zinc/37/12/84/502371284.db2.gz KFHBBOBQINFQKU-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000465753528 502371287 /nfs/dbraw/zinc/37/12/87/502371287.db2.gz KFHBBOBQINFQKU-HKUYNNGSSA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000465773091 502379767 /nfs/dbraw/zinc/37/97/67/502379767.db2.gz DGSKALFQODOSMN-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822360 502396298 /nfs/dbraw/zinc/39/62/98/502396298.db2.gz VZOOWROLOMBKJP-LEWJYISDSA-N 2 1 372.557 3.161 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[NH+](C)C)cc1 ZINC000465822362 502396370 /nfs/dbraw/zinc/39/63/70/502396370.db2.gz VZOOWROLOMBKJP-RTWAWAEBSA-N 2 1 372.557 3.161 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[NH+](C)CCC)C1 ZINC000465861392 502406063 /nfs/dbraw/zinc/40/60/63/502406063.db2.gz AAPQMYFDXQOCBP-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000465861392 502406065 /nfs/dbraw/zinc/40/60/65/502406065.db2.gz AAPQMYFDXQOCBP-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000465861392 502406069 /nfs/dbraw/zinc/40/60/69/502406069.db2.gz AAPQMYFDXQOCBP-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000465872809 502410216 /nfs/dbraw/zinc/41/02/16/502410216.db2.gz KWUNUXTYXUVXHF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000465872809 502410220 /nfs/dbraw/zinc/41/02/20/502410220.db2.gz KWUNUXTYXUVXHF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000465872809 502410226 /nfs/dbraw/zinc/41/02/26/502410226.db2.gz KWUNUXTYXUVXHF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000465872803 502410659 /nfs/dbraw/zinc/41/06/59/502410659.db2.gz KWUNUXTYXUVXHF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000465872803 502410662 /nfs/dbraw/zinc/41/06/62/502410662.db2.gz KWUNUXTYXUVXHF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465872803 502410665 /nfs/dbraw/zinc/41/06/65/502410665.db2.gz KWUNUXTYXUVXHF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)c1cc(NC[C@@H](C)[N@H+]2CCc3sccc3C2)nc(N(C)C)[nH+]1 ZINC000462372311 502411759 /nfs/dbraw/zinc/41/17/59/502411759.db2.gz XMWRYYFOKKSWRJ-CQSZACIVSA-N 2 1 359.543 3.008 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000483507135 502414829 /nfs/dbraw/zinc/41/48/29/502414829.db2.gz HWDCLKSUKSFUSL-DYESRHJHSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000483507135 502414831 /nfs/dbraw/zinc/41/48/31/502414831.db2.gz HWDCLKSUKSFUSL-DYESRHJHSA-N 2 1 351.494 3.139 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000469441306 502419480 /nfs/dbraw/zinc/41/94/80/502419480.db2.gz TUJFUAWBWZQXPD-DSKINZAPSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000469441306 502419485 /nfs/dbraw/zinc/41/94/85/502419485.db2.gz TUJFUAWBWZQXPD-DSKINZAPSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000469441306 502419488 /nfs/dbraw/zinc/41/94/88/502419488.db2.gz TUJFUAWBWZQXPD-DSKINZAPSA-N 2 1 372.557 3.067 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000469484441 502434882 /nfs/dbraw/zinc/43/48/82/502434882.db2.gz SZWYOWWURQKAPC-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469484697 502434928 /nfs/dbraw/zinc/43/49/28/502434928.db2.gz XHSFCNLUOJLRFR-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000469484697 502434931 /nfs/dbraw/zinc/43/49/31/502434931.db2.gz XHSFCNLUOJLRFR-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000469484697 502434937 /nfs/dbraw/zinc/43/49/37/502434937.db2.gz XHSFCNLUOJLRFR-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+]2Cc2ccccc2)CC1 ZINC000469484697 502434939 /nfs/dbraw/zinc/43/49/39/502434939.db2.gz XHSFCNLUOJLRFR-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](C)CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000469496933 502440332 /nfs/dbraw/zinc/44/03/32/502440332.db2.gz BADCHRYIPMSPBM-FQEVSTJZSA-N 2 1 357.542 3.062 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000465988479 502447483 /nfs/dbraw/zinc/44/74/83/502447483.db2.gz WCJFTPBNNZXXRQ-QZTJIDSGSA-N 2 1 354.583 3.259 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000483630167 502447776 /nfs/dbraw/zinc/44/77/76/502447776.db2.gz XBWYQKITRCMJLC-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)C[C@@H]1C ZINC000483699164 502467173 /nfs/dbraw/zinc/46/71/73/502467173.db2.gz ZBNDUNDKBTWDIL-JPLJXNOCSA-N 2 1 352.567 3.011 20 0 FGADMP C[N@@H+](CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000483703431 502468287 /nfs/dbraw/zinc/46/82/87/502468287.db2.gz TWGFYISUZUCTKC-UHFFFAOYSA-N 2 1 364.578 3.347 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C ZINC000483716937 502473974 /nfs/dbraw/zinc/47/39/74/502473974.db2.gz UVFJUROBXDHMQX-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H]1C ZINC000469682630 502500463 /nfs/dbraw/zinc/50/04/63/502500463.db2.gz JCEOWAMEKAMSCW-JXFKEZNVSA-N 2 1 352.482 3.192 20 0 FGADMP CCC1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCOCC1 ZINC000582598491 506318177 /nfs/dbraw/zinc/31/81/77/506318177.db2.gz BHFRQQUFLSYSAQ-QFIPXVFZSA-N 2 1 371.569 3.085 20 0 FGADMP Fc1ccc2oc(C[NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000462663108 502527015 /nfs/dbraw/zinc/52/70/15/502527015.db2.gz ZBGRWIUUMZIMCV-UHFFFAOYSA-N 2 1 367.468 3.479 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CC(=O)NC1CCCCC1 ZINC000469760760 502534643 /nfs/dbraw/zinc/53/46/43/502534643.db2.gz NAQNTBUIADBLOL-QZTJIDSGSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000487844293 502545182 /nfs/dbraw/zinc/54/51/82/502545182.db2.gz VDNCUOARVNTFKN-NSHGMRRFSA-N 2 1 374.573 3.173 20 0 FGADMP C[C@H](NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487844287 502545229 /nfs/dbraw/zinc/54/52/29/502545229.db2.gz VDNCUOARVNTFKN-CMKODMSKSA-N 2 1 374.573 3.173 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000476654291 502552553 /nfs/dbraw/zinc/55/25/53/502552553.db2.gz LCFMKACHMWFEEX-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000476654291 502552560 /nfs/dbraw/zinc/55/25/60/502552560.db2.gz LCFMKACHMWFEEX-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000466396947 502557784 /nfs/dbraw/zinc/55/77/84/502557784.db2.gz SAOHAPCSBRCNIO-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396947 502557789 /nfs/dbraw/zinc/55/77/89/502557789.db2.gz SAOHAPCSBRCNIO-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000466396947 502557790 /nfs/dbraw/zinc/55/77/90/502557790.db2.gz SAOHAPCSBRCNIO-DYXWJJEUSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2cnc3c(C)cc(Br)cn23)CC1 ZINC000469866198 502574653 /nfs/dbraw/zinc/57/46/53/502574653.db2.gz XQDCZWSLXWJTMV-UHFFFAOYSA-N 2 1 365.319 3.227 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785872 502585113 /nfs/dbraw/zinc/58/51/13/502585113.db2.gz BIVSGRWWPUUECI-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000476785872 502585119 /nfs/dbraw/zinc/58/51/19/502585119.db2.gz BIVSGRWWPUUECI-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476785872 502585121 /nfs/dbraw/zinc/58/51/21/502585121.db2.gz BIVSGRWWPUUECI-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476785872 502585126 /nfs/dbraw/zinc/58/51/26/502585126.db2.gz BIVSGRWWPUUECI-HSALFYBXSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163886 502590958 /nfs/dbraw/zinc/59/09/58/502590958.db2.gz QOSVZUKGKWJUHS-VXKWHMMOSA-N 2 1 354.494 3.373 20 0 FGADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cccc(OC)c1 ZINC000484163886 502590963 /nfs/dbraw/zinc/59/09/63/502590963.db2.gz QOSVZUKGKWJUHS-VXKWHMMOSA-N 2 1 354.494 3.373 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476825262 502595534 /nfs/dbraw/zinc/59/55/34/502595534.db2.gz WKJKUSQAVIDKMH-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000469990233 502620144 /nfs/dbraw/zinc/62/01/44/502620144.db2.gz IGWCQNUVOHKMIT-IMKFEJLOSA-N 2 1 355.526 3.171 20 0 FGADMP C[C@H]1[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000484433060 502642879 /nfs/dbraw/zinc/64/28/79/502642879.db2.gz AHQUNCVRDNCIEK-FXAWDEMLSA-N 2 1 372.557 3.212 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000480739350 502657981 /nfs/dbraw/zinc/65/79/81/502657981.db2.gz MSVKXSJVVKABFK-FPOVZHCZSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000480739350 502657984 /nfs/dbraw/zinc/65/79/84/502657984.db2.gz MSVKXSJVVKABFK-FPOVZHCZSA-N 2 1 374.573 3.299 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)CC(C)C ZINC000488211528 502659584 /nfs/dbraw/zinc/65/95/84/502659584.db2.gz ANKJHTLUMFPYNI-QUCCMNQESA-N 2 1 366.594 3.259 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000463063985 502680692 /nfs/dbraw/zinc/68/06/92/502680692.db2.gz XFGJCSFINFRHCK-VQTJNVASSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000463120504 502700692 /nfs/dbraw/zinc/70/06/92/502700692.db2.gz WNBUJTJSTNWARQ-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2(C(=O)N(C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000463120504 502700696 /nfs/dbraw/zinc/70/06/96/502700696.db2.gz WNBUJTJSTNWARQ-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CS[C@H](C(C)(C)C)C3)cc2)CC1 ZINC000488420491 502710332 /nfs/dbraw/zinc/71/03/32/502710332.db2.gz WIJNITZAIGQTRB-UXHICEINSA-N 2 1 361.599 3.444 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232873 502711982 /nfs/dbraw/zinc/71/19/82/502711982.db2.gz IAJQVIMQSIPNRX-LPHOPBHVSA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232873 502711990 /nfs/dbraw/zinc/71/19/90/502711990.db2.gz IAJQVIMQSIPNRX-LPHOPBHVSA-N 2 1 363.933 3.133 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000470277231 502722010 /nfs/dbraw/zinc/72/20/10/502722010.db2.gz KNWZPTRITIAPQG-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000466914885 502723813 /nfs/dbraw/zinc/72/38/13/502723813.db2.gz BWLOOTFQRRYBLT-BGYRXZFFSA-N 2 1 357.542 3.292 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000466914885 502723820 /nfs/dbraw/zinc/72/38/20/502723820.db2.gz BWLOOTFQRRYBLT-BGYRXZFFSA-N 2 1 357.542 3.292 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000466922236 502727584 /nfs/dbraw/zinc/72/75/84/502727584.db2.gz VTROXXRYGZDGEI-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP Fc1ccc(CC[NH+]2CCC(NC[C@H]3CCCC[N@H+]3C3CC3)CC2)cc1 ZINC000463248381 502735127 /nfs/dbraw/zinc/73/51/27/502735127.db2.gz OUZJQYAHWRXOAD-JOCHJYFZSA-N 2 1 359.533 3.439 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Oc1ccccc1Cl ZINC000484791126 502740655 /nfs/dbraw/zinc/74/06/55/502740655.db2.gz NMKDZLUYAXSADX-AHCXZYCDSA-N 2 1 352.906 3.244 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)N(C)CC[N@@H+](C)C2CC2)CCCC1)c1ccccc1 ZINC000473917225 502748840 /nfs/dbraw/zinc/74/88/40/502748840.db2.gz DKHMQBPMLNLSGD-GOSISDBHSA-N 2 1 372.557 3.386 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)c3ccc4c(c3)C[NH2+]C4)cc2)C1 ZINC000470369916 502753070 /nfs/dbraw/zinc/75/30/70/502753070.db2.gz RTRMAGNJPGPUNY-KRWDZBQOSA-N 2 1 363.505 3.452 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179431 502774430 /nfs/dbraw/zinc/77/44/30/502774430.db2.gz USUFOKJAHPMEQW-GCJKJVERSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C1CC1)C1CCCC1 ZINC000481179431 502774436 /nfs/dbraw/zinc/77/44/36/502774436.db2.gz USUFOKJAHPMEQW-GCJKJVERSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000470464179 502784712 /nfs/dbraw/zinc/78/47/12/502784712.db2.gz GEFCNHKYAQKOAO-YPGOJHLTSA-N 2 1 363.505 3.176 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000477487188 502786356 /nfs/dbraw/zinc/78/63/56/502786356.db2.gz JGBXTGPYTLZJGJ-YSGRDPCXSA-N 2 1 373.541 3.256 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965070 502788362 /nfs/dbraw/zinc/78/83/62/502788362.db2.gz UUCTXKVXWWKQJL-DKZVUGQWSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)C1 ZINC000484965070 502788367 /nfs/dbraw/zinc/78/83/67/502788367.db2.gz UUCTXKVXWWKQJL-DKZVUGQWSA-N 2 1 369.484 3.043 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000470506592 502799648 /nfs/dbraw/zinc/79/96/48/502799648.db2.gz GAMGKHSAVQLFPK-GOSISDBHSA-N 2 1 354.583 3.305 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@H](C)C1 ZINC000509154931 502834703 /nfs/dbraw/zinc/83/47/03/502834703.db2.gz PEHXNPUWTOLXPS-GDBMZVCRSA-N 2 1 370.440 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@H](C)C1 ZINC000509154931 502834708 /nfs/dbraw/zinc/83/47/08/502834708.db2.gz PEHXNPUWTOLXPS-GDBMZVCRSA-N 2 1 370.440 3.235 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000500686610 502840354 /nfs/dbraw/zinc/84/03/54/502840354.db2.gz MAVUVSNSCPVLSF-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000489347938 502934900 /nfs/dbraw/zinc/93/49/00/502934900.db2.gz LEMSEGAGEDZVFG-FQEVSTJZSA-N 2 1 357.542 3.087 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163489 502951724 /nfs/dbraw/zinc/95/17/24/502951724.db2.gz MQBHUCXACLUQIA-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccc(C(N)=O)cc2)C[N@H+]1Cc1ccccc1 ZINC000513493714 502952021 /nfs/dbraw/zinc/95/20/21/502952021.db2.gz CGLMILIYUXBSGB-XLIONFOSSA-N 2 1 351.494 3.176 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2c2cc(C)no2)CC1 ZINC000509817558 502991154 /nfs/dbraw/zinc/99/11/54/502991154.db2.gz CNUMUXJTGNVYTC-FQEVSTJZSA-N 2 1 354.498 3.462 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000509846607 502997584 /nfs/dbraw/zinc/99/75/84/502997584.db2.gz BOEXOQJKBABNGW-AUSIDOKSSA-N 2 1 367.537 3.292 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000509846611 502997738 /nfs/dbraw/zinc/99/77/38/502997738.db2.gz BOEXOQJKBABNGW-WMZHIEFXSA-N 2 1 367.537 3.292 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000513696603 503002953 /nfs/dbraw/zinc/00/29/53/503002953.db2.gz BEKJBTZMDRTNLH-BHYGNILZSA-N 2 1 350.890 3.116 20 0 FGADMP C[NH+](C)CCOc1ccccc1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000505878990 503004243 /nfs/dbraw/zinc/00/42/43/503004243.db2.gz BRTGOPUEZSWLRH-UHFFFAOYSA-N 2 1 373.541 3.035 20 0 FGADMP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000489650170 503004543 /nfs/dbraw/zinc/00/45/43/503004543.db2.gz PXHVMZGCZIDPDE-PMACEKPBSA-N 2 1 371.569 3.335 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513713834 503007437 /nfs/dbraw/zinc/00/74/37/503007437.db2.gz UQWDBYJZEPUOGU-RJGXRXQPSA-N 3 1 370.585 3.051 20 0 FGADMP CN1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000513713834 503007442 /nfs/dbraw/zinc/00/74/42/503007442.db2.gz UQWDBYJZEPUOGU-RJGXRXQPSA-N 2 1 370.585 3.051 20 0 FGADMP COc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[NH+]2CCCC2)cc1 ZINC000513760205 503018027 /nfs/dbraw/zinc/01/80/27/503018027.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760205 503018029 /nfs/dbraw/zinc/01/80/29/503018029.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 2 1 357.542 3.295 20 0 FGADMP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)N2CCCC2)cc1 ZINC000513760205 503018031 /nfs/dbraw/zinc/01/80/31/503018031.db2.gz ILWAKTFCJHZHDB-LRSLUSHPSA-N 2 1 357.542 3.295 20 0 FGADMP CC(C)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000513816145 503028371 /nfs/dbraw/zinc/02/83/71/503028371.db2.gz IVLWRZHQKIBBAK-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP CC(C)C[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000513816145 503028375 /nfs/dbraw/zinc/02/83/75/503028375.db2.gz IVLWRZHQKIBBAK-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@@H+]1CCCC[C@@H]1C ZINC000501532204 503031137 /nfs/dbraw/zinc/03/11/37/503031137.db2.gz NARIMQZTUNZJPA-ROUUACIJSA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCCC[NH+](C)C1CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000501532204 503031140 /nfs/dbraw/zinc/03/11/40/503031140.db2.gz NARIMQZTUNZJPA-ROUUACIJSA-N 2 1 352.567 3.203 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489778135 503032303 /nfs/dbraw/zinc/03/23/03/503032303.db2.gz QPCCDVFYHVCQHE-CQSZACIVSA-N 2 1 355.408 3.214 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000489778135 503032306 /nfs/dbraw/zinc/03/23/06/503032306.db2.gz QPCCDVFYHVCQHE-CQSZACIVSA-N 2 1 355.408 3.214 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836885 503045566 /nfs/dbraw/zinc/04/55/66/503045566.db2.gz BOGAVVIJLKXASA-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836885 503045570 /nfs/dbraw/zinc/04/55/70/503045570.db2.gz BOGAVVIJLKXASA-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000489836885 503045573 /nfs/dbraw/zinc/04/55/73/503045573.db2.gz BOGAVVIJLKXASA-TZIWHRDSSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+](C)C ZINC000497835708 503051767 /nfs/dbraw/zinc/05/17/67/503051767.db2.gz KEEDKSPZOZTHNG-UEXGIBASSA-N 2 1 372.557 3.302 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000514010489 503068272 /nfs/dbraw/zinc/06/82/72/503068272.db2.gz AQDNZKIPAKPACW-IBGZPJMESA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@H+](C)Cc2ccccc2)C1 ZINC000514010489 503068274 /nfs/dbraw/zinc/06/82/74/503068274.db2.gz AQDNZKIPAKPACW-IBGZPJMESA-N 2 1 374.573 3.318 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514010489 503068276 /nfs/dbraw/zinc/06/82/76/503068276.db2.gz AQDNZKIPAKPACW-IBGZPJMESA-N 2 1 374.573 3.318 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000514023285 503070847 /nfs/dbraw/zinc/07/08/47/503070847.db2.gz VZGWIOXEYAVFQJ-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000497965937 503075852 /nfs/dbraw/zinc/07/58/52/503075852.db2.gz WHNHRTVTZRHJKH-FIRLOTFOSA-N 2 1 357.542 3.275 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000497965937 503075855 /nfs/dbraw/zinc/07/58/55/503075855.db2.gz WHNHRTVTZRHJKH-FIRLOTFOSA-N 2 1 357.542 3.275 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000497965937 503075857 /nfs/dbraw/zinc/07/58/57/503075857.db2.gz WHNHRTVTZRHJKH-FIRLOTFOSA-N 2 1 357.542 3.275 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000501788025 503080230 /nfs/dbraw/zinc/08/02/30/503080230.db2.gz CFKIIASTGVQPQY-UHFFFAOYSA-N 2 1 360.542 3.234 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000501846880 503093032 /nfs/dbraw/zinc/09/30/32/503093032.db2.gz AZHPHKYHROTULX-PZJWPPBQSA-N 2 1 372.557 3.387 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+](C)Cc2ccccc2)C1 ZINC000514127775 503094537 /nfs/dbraw/zinc/09/45/37/503094537.db2.gz YYUMTGOLWPVVFH-WOJBJXKFSA-N 2 1 374.573 3.176 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000506448744 503116187 /nfs/dbraw/zinc/11/61/87/503116187.db2.gz UTKPTRBFDILELB-SFHVURJKSA-N 2 1 362.558 3.388 20 0 FGADMP Cc1cccc2nc(CN3CCC[C@@H](C[N@@H+]4CCCC[C@H]4C)C3)cc(=O)n12 ZINC000506473309 503122311 /nfs/dbraw/zinc/12/23/11/503122311.db2.gz XTPNCDPYCFXBEF-IEBWSBKVSA-N 2 1 368.525 3.089 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000498264016 503145922 /nfs/dbraw/zinc/14/59/22/503145922.db2.gz GMHNDNJTJIDJRB-VNYTWHDVSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000498264016 503145928 /nfs/dbraw/zinc/14/59/28/503145928.db2.gz GMHNDNJTJIDJRB-VNYTWHDVSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1C ZINC000498264016 503145931 /nfs/dbraw/zinc/14/59/31/503145931.db2.gz GMHNDNJTJIDJRB-VNYTWHDVSA-N 2 1 372.557 3.021 20 0 FGADMP C[NH+](C)CC1CC[NH+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1 ZINC000506868655 503187190 /nfs/dbraw/zinc/18/71/90/503187190.db2.gz UEWDOZIMOKNTOK-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnnn2Cc2ccccc2)C1 ZINC000490553493 503194789 /nfs/dbraw/zinc/19/47/89/503194789.db2.gz BHUZMLAHBDAYFQ-KDURUIRLSA-N 2 1 355.530 3.174 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000514824270 503202411 /nfs/dbraw/zinc/20/24/11/503202411.db2.gz AFXUHLFFTWKTCE-AZUAARDMSA-N 2 1 372.557 3.058 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)c1cccc(F)c1 ZINC000498597160 503223721 /nfs/dbraw/zinc/22/37/21/503223721.db2.gz DHIBBQNLZCFYQO-RTWAWAEBSA-N 2 1 369.484 3.209 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000490889227 503242501 /nfs/dbraw/zinc/24/25/01/503242501.db2.gz UTWQXMURESVWSY-QGZVFWFLSA-N 2 1 354.498 3.362 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000490889227 503242503 /nfs/dbraw/zinc/24/25/03/503242503.db2.gz UTWQXMURESVWSY-QGZVFWFLSA-N 2 1 354.498 3.362 20 0 FGADMP CC(C)COc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490971303 503254099 /nfs/dbraw/zinc/25/40/99/503254099.db2.gz WBCPGKMGLQQUGG-PZJWPPBQSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000490971303 503254103 /nfs/dbraw/zinc/25/41/03/503254103.db2.gz WBCPGKMGLQQUGG-PZJWPPBQSA-N 2 1 359.558 3.179 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491056809 503267220 /nfs/dbraw/zinc/26/72/20/503267220.db2.gz JLCNDEORKFEBII-RTWAWAEBSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000491056809 503267224 /nfs/dbraw/zinc/26/72/24/503267224.db2.gz JLCNDEORKFEBII-RTWAWAEBSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860025 503276983 /nfs/dbraw/zinc/27/69/83/503276983.db2.gz YOJXTVASCYAGMI-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cccc(C)c1OC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860025 503276988 /nfs/dbraw/zinc/27/69/88/503276988.db2.gz YOJXTVASCYAGMI-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000582681920 506362585 /nfs/dbraw/zinc/36/25/85/506362585.db2.gz RSTIJDSOXDWTBV-UHFFFAOYSA-N 2 1 367.493 3.289 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899927 503303233 /nfs/dbraw/zinc/30/32/33/503303233.db2.gz QESVJINPIRAVCA-CGTJXYLNSA-N 2 1 362.518 3.025 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503043876 503333140 /nfs/dbraw/zinc/33/31/40/503333140.db2.gz LRTSNGFYKRPLDM-GPJHCHHRSA-N 2 1 350.506 3.263 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000503043876 503333143 /nfs/dbraw/zinc/33/31/43/503333143.db2.gz LRTSNGFYKRPLDM-GPJHCHHRSA-N 2 1 350.506 3.263 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000511782931 503386346 /nfs/dbraw/zinc/38/63/46/503386346.db2.gz AVLOMZSSKJAMDM-UHFFFAOYSA-N 2 1 355.526 3.275 20 0 FGADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000503316528 503388781 /nfs/dbraw/zinc/38/87/81/503388781.db2.gz MARVQQNFOQGCBV-FQEVSTJZSA-N 2 1 372.557 3.411 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000511816808 503393618 /nfs/dbraw/zinc/39/36/18/503393618.db2.gz GZOCDZSNDOGFAZ-QFIPXVFZSA-N 2 1 365.521 3.389 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000511852696 503400784 /nfs/dbraw/zinc/40/07/84/503400784.db2.gz FYHUKUAACOOGFK-FQEVSTJZSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000511852696 503400789 /nfs/dbraw/zinc/40/07/89/503400789.db2.gz FYHUKUAACOOGFK-FQEVSTJZSA-N 2 1 371.529 3.037 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000503423260 503406677 /nfs/dbraw/zinc/40/66/77/503406677.db2.gz SETKEYZUSFJVOB-IBGZPJMESA-N 2 1 361.505 3.030 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc2c1CCCC2 ZINC000499506868 503420922 /nfs/dbraw/zinc/42/09/22/503420922.db2.gz HOGHRCLEMTZXNI-MRXNPFEDSA-N 2 1 363.571 3.115 20 0 FGADMP C[C@@H]1CCC[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508113166 503433653 /nfs/dbraw/zinc/43/36/53/503433653.db2.gz GFUXEILGSHKAAK-YLJYHZDGSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@](O)(C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1)C(F)(F)F ZINC000499601399 503441124 /nfs/dbraw/zinc/44/11/24/503441124.db2.gz XOLXHGLDAVRYPE-QGZVFWFLSA-N 2 1 356.432 3.288 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512107220 503459097 /nfs/dbraw/zinc/45/90/97/503459097.db2.gz QJKJZEWRHLBJKM-CQSZACIVSA-N 2 1 352.404 3.323 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(C(F)(F)F)cc3)c2)C1 ZINC000512107220 503459100 /nfs/dbraw/zinc/45/91/00/503459100.db2.gz QJKJZEWRHLBJKM-CQSZACIVSA-N 2 1 352.404 3.323 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000516207965 503471926 /nfs/dbraw/zinc/47/19/26/503471926.db2.gz NNAXFBOCRJVWFK-UHFFFAOYSA-N 2 1 365.264 3.393 20 0 FGADMP Cn1ccnc1C[N@@H+](CCCc1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000503917787 503489171 /nfs/dbraw/zinc/48/91/71/503489171.db2.gz KLVHFJBOIGYEKZ-IBGZPJMESA-N 2 1 356.489 3.136 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c(F)cc1Cl ZINC000508459307 503498004 /nfs/dbraw/zinc/49/80/04/503498004.db2.gz UQMNSZRDKSRJKS-CYBMUJFWSA-N 2 1 373.875 3.106 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000512265184 503502284 /nfs/dbraw/zinc/50/22/84/503502284.db2.gz OUKPQRNWPFQUFY-UHFFFAOYSA-N 2 1 351.579 3.469 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000494266736 503515661 /nfs/dbraw/zinc/51/56/61/503515661.db2.gz AMTJSQFBWIBHAH-RTBURBONSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000494266736 503515662 /nfs/dbraw/zinc/51/56/62/503515662.db2.gz AMTJSQFBWIBHAH-RTBURBONSA-N 2 1 361.917 3.220 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C3CC3)cc2)C1 ZINC000494294940 503521597 /nfs/dbraw/zinc/52/15/97/503521597.db2.gz FJKWMAUKLIEUBS-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cc2)C1 ZINC000494294940 503521599 /nfs/dbraw/zinc/52/15/99/503521599.db2.gz FJKWMAUKLIEUBS-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[N@H+]3C3CC3)cc2)C1 ZINC000494294940 503521602 /nfs/dbraw/zinc/52/16/02/503521602.db2.gz FJKWMAUKLIEUBS-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319957 503525059 /nfs/dbraw/zinc/52/50/59/503525059.db2.gz RHMADVXKOJFCGV-FHWLQOOXSA-N 2 1 367.484 3.191 20 0 FGADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000494319957 503525060 /nfs/dbraw/zinc/52/50/60/503525060.db2.gz RHMADVXKOJFCGV-FHWLQOOXSA-N 2 1 367.484 3.191 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562181 503537518 /nfs/dbraw/zinc/53/75/18/503537518.db2.gz DCVVQSCPJKSAEY-BJWHIEROSA-N 3 1 368.569 3.035 20 0 FGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562181 503537523 /nfs/dbraw/zinc/53/75/23/503537523.db2.gz DCVVQSCPJKSAEY-BJWHIEROSA-N 3 1 368.569 3.035 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000516570905 503539538 /nfs/dbraw/zinc/53/95/38/503539538.db2.gz JJQPWIZTFJUQIT-ZEWNOJEFSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc2ccccc2c1 ZINC000516570905 503539543 /nfs/dbraw/zinc/53/95/43/503539543.db2.gz JJQPWIZTFJUQIT-ZEWNOJEFSA-N 2 1 351.494 3.076 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4cccc(C)c4C3)CC2)CC1 ZINC000516582587 503542718 /nfs/dbraw/zinc/54/27/18/503542718.db2.gz RYFQYGIXHJLUDP-UHFFFAOYSA-N 2 1 369.553 3.076 20 0 FGADMP C[C@@H]1CCc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)sc2C1 ZINC000512469936 503563075 /nfs/dbraw/zinc/56/30/75/503563075.db2.gz UZOVRSVJUMSWMD-MRXNPFEDSA-N 2 1 363.571 3.202 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000508860388 503581075 /nfs/dbraw/zinc/58/10/75/503581075.db2.gz DUUMWUSJTQLMRE-XLIONFOSSA-N 2 1 371.529 3.223 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000508903124 503595704 /nfs/dbraw/zinc/59/57/04/503595704.db2.gz FHMKEGSXVSPATK-DFQSSKMNSA-N 2 1 360.546 3.194 20 0 FGADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(C3CCCCC3)cc2)CC1 ZINC000509021468 503622102 /nfs/dbraw/zinc/62/21/02/503622102.db2.gz KGZAUUUZSHIFEX-UHFFFAOYSA-N 2 1 372.553 3.393 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)N1CCC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000509037908 503627130 /nfs/dbraw/zinc/62/71/30/503627130.db2.gz LUKZUPPLDJQJLV-SFHVURJKSA-N 2 1 366.937 3.070 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)c1ccc(Cl)cc1 ZINC000509037908 503627136 /nfs/dbraw/zinc/62/71/36/503627136.db2.gz LUKZUPPLDJQJLV-SFHVURJKSA-N 2 1 366.937 3.070 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccc(Cl)cc1 ZINC000509037908 503627143 /nfs/dbraw/zinc/62/71/43/503627143.db2.gz LUKZUPPLDJQJLV-SFHVURJKSA-N 2 1 366.937 3.070 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930953 503638115 /nfs/dbraw/zinc/63/81/15/503638115.db2.gz BHIOXRLGYDECAI-AEFFLSMTSA-N 2 1 350.915 3.342 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2Cl)c2cccs2)C1 ZINC000494930953 503638117 /nfs/dbraw/zinc/63/81/17/503638117.db2.gz BHIOXRLGYDECAI-AEFFLSMTSA-N 2 1 350.915 3.342 20 0 FGADMP CC(C)[NH+](C)CC1CC[NH+](CCN2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000532951126 503672111 /nfs/dbraw/zinc/67/21/11/503672111.db2.gz WARHHEBSCOFVOC-UHFFFAOYSA-N 3 1 366.638 3.091 20 0 FGADMP CC(C)[NH+](C)CC1CCN(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000532951126 503672115 /nfs/dbraw/zinc/67/21/15/503672115.db2.gz WARHHEBSCOFVOC-UHFFFAOYSA-N 3 1 366.638 3.091 20 0 FGADMP CC(C)[NH+](C)CC1CCN(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)CC1 ZINC000532951126 503672119 /nfs/dbraw/zinc/67/21/19/503672119.db2.gz WARHHEBSCOFVOC-UHFFFAOYSA-N 3 1 366.638 3.091 20 0 FGADMP [NH3+]CCC1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000517243502 503691324 /nfs/dbraw/zinc/69/13/24/503691324.db2.gz ORIRNSUDNAQEMG-GOSISDBHSA-N 2 1 358.530 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000540154349 503691340 /nfs/dbraw/zinc/69/13/40/503691340.db2.gz RDPLHFSFNXVMQL-IAGOWNOFSA-N 2 1 365.587 3.291 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000540154347 503692091 /nfs/dbraw/zinc/69/20/91/503692091.db2.gz RDPLHFSFNXVMQL-DLBZAZTESA-N 2 1 365.587 3.291 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(N)c3ccccc3n2)CC1)CC1CC1 ZINC000536737083 503703991 /nfs/dbraw/zinc/70/39/91/503703991.db2.gz QGFGULPTLAYXEJ-UHFFFAOYSA-N 2 1 367.541 3.376 20 0 FGADMP CC(C)Oc1ccccc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000533078285 503724219 /nfs/dbraw/zinc/72/42/19/503724219.db2.gz BSRWWNOBKAGFIU-UHFFFAOYSA-N 2 1 359.558 3.464 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc(C)c(OC)cc3C)CC2)CC1 ZINC000517391256 503733036 /nfs/dbraw/zinc/73/30/36/503733036.db2.gz JYHNWCDEZVRGQZ-UHFFFAOYSA-N 2 1 373.541 3.447 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000533107067 503733491 /nfs/dbraw/zinc/73/34/91/503733491.db2.gz AVSNAVOWMSOLRE-XEVCZEQESA-N 2 1 364.578 3.059 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000536837373 503736720 /nfs/dbraw/zinc/73/67/20/503736720.db2.gz GASFTHGYJLSRTR-PKOBYXMFSA-N 2 1 372.513 3.006 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000536865569 503743441 /nfs/dbraw/zinc/74/34/41/503743441.db2.gz YPRFCVRCBVBDBJ-OTWHNJEPSA-N 2 1 356.514 3.412 20 0 FGADMP c1coc(-c2noc(CN3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@H]4C3)n2)c1 ZINC000517441838 503746377 /nfs/dbraw/zinc/74/63/77/503746377.db2.gz HNIYVKUHDMGOMW-ROUUACIJSA-N 2 1 364.449 3.284 20 0 FGADMP C[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000543401654 503755450 /nfs/dbraw/zinc/75/54/50/503755450.db2.gz ZSEOVGWGQOJUCR-WMLDXEAASA-N 2 1 371.447 3.205 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CCCC)CC1 ZINC000517505873 503759705 /nfs/dbraw/zinc/75/97/05/503759705.db2.gz GNZCXCZSOSHKAO-LJQANCHMSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]Cc3cscn3)cc2)C[C@H]1C ZINC000537022712 503779551 /nfs/dbraw/zinc/77/95/51/503779551.db2.gz VYZDZEFHEHSLRP-CALCHBBNSA-N 2 1 359.539 3.442 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000543460439 503781365 /nfs/dbraw/zinc/78/13/65/503781365.db2.gz MYLRSDYFDSFSRG-HOTGVXAUSA-N 2 1 363.571 3.169 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000543460439 503781369 /nfs/dbraw/zinc/78/13/69/503781369.db2.gz MYLRSDYFDSFSRG-HOTGVXAUSA-N 2 1 363.571 3.169 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000543460440 503781519 /nfs/dbraw/zinc/78/15/19/503781519.db2.gz MYLRSDYFDSFSRG-HZPDHXFCSA-N 2 1 363.571 3.169 20 0 FGADMP CCc1ccc(CNC(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000543460440 503781527 /nfs/dbraw/zinc/78/15/27/503781527.db2.gz MYLRSDYFDSFSRG-HZPDHXFCSA-N 2 1 363.571 3.169 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000530026421 503800102 /nfs/dbraw/zinc/80/01/02/503800102.db2.gz UCLXBPQHIYHDGJ-FQEVSTJZSA-N 2 1 373.541 3.154 20 0 FGADMP C[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693358 503808578 /nfs/dbraw/zinc/80/85/78/503808578.db2.gz PNNRHVCIOIFCHN-PGRDOPGGSA-N 2 1 369.553 3.025 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)N1CCN(C)C[C@@H]1c1ccccc1)C2 ZINC000527512438 503818645 /nfs/dbraw/zinc/81/86/45/503818645.db2.gz HTWTYYPUQSTNEL-FXAWDEMLSA-N 2 1 366.509 3.153 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000543639319 503837596 /nfs/dbraw/zinc/83/75/96/503837596.db2.gz DAZWXDFXMVXVQX-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC000517889395 503859740 /nfs/dbraw/zinc/85/97/40/503859740.db2.gz KZGQTCIRZWIBKI-JBACZVJFSA-N 2 1 372.557 3.242 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539538 503882279 /nfs/dbraw/zinc/88/22/79/503882279.db2.gz XOYWSFHVXAAJBT-DJIMGWMZSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539538 503882281 /nfs/dbraw/zinc/88/22/81/503882281.db2.gz XOYWSFHVXAAJBT-DJIMGWMZSA-N 2 1 358.404 3.269 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530218993 503882323 /nfs/dbraw/zinc/88/23/23/503882323.db2.gz KLFNDTBKENKJGH-WFASDCNBSA-N 2 1 371.403 3.177 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccco1 ZINC000543762211 503883675 /nfs/dbraw/zinc/88/36/75/503883675.db2.gz ISNZKCFPDVAAFX-JFJDKTSWSA-N 2 1 368.521 3.321 20 0 FGADMP CC[N@H+](CC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547992 503884012 /nfs/dbraw/zinc/88/40/12/503884012.db2.gz OBNFYPOTZFYCKA-ZWKOTPCHSA-N 2 1 371.525 3.304 20 0 FGADMP CC[N@@H+](CC[NH2+][C@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C(C)C ZINC000533547992 503884015 /nfs/dbraw/zinc/88/40/15/503884015.db2.gz OBNFYPOTZFYCKA-ZWKOTPCHSA-N 2 1 371.525 3.304 20 0 FGADMP Fc1ccc(Br)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242522 503890800 /nfs/dbraw/zinc/89/08/00/503890800.db2.gz ULCMWPKPBOVDED-MRXNPFEDSA-N 2 1 371.294 3.179 20 0 FGADMP CN1CC[NH+](CCOc2ccc(-c3ccc(/C=C\CC[NH3+])cc3)cc2)CC1 ZINC000530247987 503893336 /nfs/dbraw/zinc/89/33/36/503893336.db2.gz DPBGOVSOMWXPSN-RQOWECAXSA-N 2 1 365.521 3.342 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000533968539 504003918 /nfs/dbraw/zinc/00/39/18/504003918.db2.gz AQDXOXDXBQVBND-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000533968539 504003924 /nfs/dbraw/zinc/00/39/24/504003924.db2.gz AQDXOXDXBQVBND-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527943604 504009306 /nfs/dbraw/zinc/00/93/06/504009306.db2.gz ALTUVCNHQMHUNL-QIJUGHKUSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000527943604 504009307 /nfs/dbraw/zinc/00/93/07/504009307.db2.gz ALTUVCNHQMHUNL-QIJUGHKUSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527943604 504009310 /nfs/dbraw/zinc/00/93/10/504009310.db2.gz ALTUVCNHQMHUNL-QIJUGHKUSA-N 2 1 356.558 3.289 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccn2)CC[C@@H]1NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527943604 504009312 /nfs/dbraw/zinc/00/93/12/504009312.db2.gz ALTUVCNHQMHUNL-QIJUGHKUSA-N 2 1 356.558 3.289 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000518559549 504015954 /nfs/dbraw/zinc/01/59/54/504015954.db2.gz AVUOAVUGPBFAET-JOCHJYFZSA-N 2 1 365.521 3.277 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000518559549 504015958 /nfs/dbraw/zinc/01/59/58/504015958.db2.gz AVUOAVUGPBFAET-JOCHJYFZSA-N 2 1 365.521 3.277 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000518559549 504015964 /nfs/dbraw/zinc/01/59/64/504015964.db2.gz AVUOAVUGPBFAET-JOCHJYFZSA-N 2 1 365.521 3.277 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000544130646 504019023 /nfs/dbraw/zinc/01/90/23/504019023.db2.gz WZUSTLMXLHWAFH-MRXNPFEDSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)CC2 ZINC000544130646 504019030 /nfs/dbraw/zinc/01/90/30/504019030.db2.gz WZUSTLMXLHWAFH-MRXNPFEDSA-N 2 1 356.432 3.169 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1)C1CC1 ZINC000518618591 504028600 /nfs/dbraw/zinc/02/86/00/504028600.db2.gz VNQSFQHIMVTNFO-OAQYLSRUSA-N 2 1 355.526 3.371 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000527991432 504029945 /nfs/dbraw/zinc/02/99/45/504029945.db2.gz VPJIFAULTGSIDA-PWRODBHTSA-N 2 1 351.494 3.133 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000518626357 504030641 /nfs/dbraw/zinc/03/06/41/504030641.db2.gz SRTDLWRXSGDHTE-NRFANRHFSA-N 2 1 372.557 3.168 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000537792455 504044222 /nfs/dbraw/zinc/04/42/22/504044222.db2.gz MUEIKARLCYQUEZ-FQEVSTJZSA-N 2 1 358.530 3.021 20 0 FGADMP CC(C)[N@H+](C)CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198502 504044612 /nfs/dbraw/zinc/04/46/12/504044612.db2.gz JOZPKIIXDGJUKK-GOSISDBHSA-N 2 1 360.546 3.340 20 0 FGADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198502 504044616 /nfs/dbraw/zinc/04/46/16/504044616.db2.gz JOZPKIIXDGJUKK-GOSISDBHSA-N 2 1 360.546 3.340 20 0 FGADMP Cc1c[nH+]cn1CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000528135054 504085624 /nfs/dbraw/zinc/08/56/24/504085624.db2.gz YMDXXAOYSUHENB-UHFFFAOYSA-N 2 1 354.498 3.272 20 0 FGADMP Cc1c[nH+]cn1CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000528135054 504085629 /nfs/dbraw/zinc/08/56/29/504085629.db2.gz YMDXXAOYSUHENB-UHFFFAOYSA-N 2 1 354.498 3.272 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2cncc(F)c2)C2CC2)c2cccs2)CC1 ZINC000547394266 504089700 /nfs/dbraw/zinc/08/97/00/504089700.db2.gz LROJOJUNOGSVAR-AZUAARDMSA-N 2 1 374.529 3.312 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000528152408 504095541 /nfs/dbraw/zinc/09/55/41/504095541.db2.gz ZVNHCEQPEONVOK-QZTJIDSGSA-N 2 1 368.456 3.105 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000537965856 504097089 /nfs/dbraw/zinc/09/70/89/504097089.db2.gz HQVJBMZLRIDCRF-KGLIPLIRSA-N 2 1 358.877 3.413 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000537987413 504102718 /nfs/dbraw/zinc/10/27/18/504102718.db2.gz OCLJWGWWIXYNAJ-ZWNOBZJWSA-N 2 1 351.800 3.062 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000544377018 504108711 /nfs/dbraw/zinc/10/87/11/504108711.db2.gz HODUNZYLUMACKD-XYPHTWIQSA-N 2 1 351.922 3.368 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000544377018 504108718 /nfs/dbraw/zinc/10/87/18/504108718.db2.gz HODUNZYLUMACKD-XYPHTWIQSA-N 2 1 351.922 3.368 20 0 FGADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000538196415 504159092 /nfs/dbraw/zinc/15/90/92/504159092.db2.gz GDQJNQSHKNHCKT-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP CCOC(=O)c1sc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)nc1C ZINC000544518809 504160104 /nfs/dbraw/zinc/16/01/04/504160104.db2.gz JDIOXUSHOIVBLF-ZDUSSCGKSA-N 2 1 350.488 3.264 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000541534875 504167080 /nfs/dbraw/zinc/16/70/80/504167080.db2.gz ZTGLKCSAXFZDQO-JOCHJYFZSA-N 2 1 362.477 3.448 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000531104553 504190829 /nfs/dbraw/zinc/19/08/29/504190829.db2.gz IGWQUBDDEFFSDM-QGZVFWFLSA-N 2 1 355.320 3.382 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000531104553 504190835 /nfs/dbraw/zinc/19/08/35/504190835.db2.gz IGWQUBDDEFFSDM-QGZVFWFLSA-N 2 1 355.320 3.382 20 0 FGADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000519411534 504215658 /nfs/dbraw/zinc/21/56/58/504215658.db2.gz KTSWPKPEGMYTGQ-HXUWFJFHSA-N 2 1 350.462 3.441 20 0 FGADMP Cc1ccc([C@@H]2CC[N@H+](CC(=O)NC[C@@H](c3ccccc3)[NH+](C)C)C2)cc1 ZINC000547787246 504224772 /nfs/dbraw/zinc/22/47/72/504224772.db2.gz RGBZATISTNPKFX-YADHBBJMSA-N 2 1 365.521 3.203 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396099 504234616 /nfs/dbraw/zinc/23/46/16/504234616.db2.gz QBDFKFHFBXEHDM-PLACYPQZSA-N 2 1 360.542 3.489 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000538396099 504234622 /nfs/dbraw/zinc/23/46/22/504234622.db2.gz QBDFKFHFBXEHDM-PLACYPQZSA-N 2 1 360.542 3.489 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541780925 504252030 /nfs/dbraw/zinc/25/20/30/504252030.db2.gz ISOCRTWTNOYNTK-FGTMMUONSA-N 2 1 366.594 3.115 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528560303 504273270 /nfs/dbraw/zinc/27/32/70/504273270.db2.gz LRHMUBMOAHHHSD-LJQANCHMSA-N 2 1 363.933 3.105 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528560303 504273274 /nfs/dbraw/zinc/27/32/74/504273274.db2.gz LRHMUBMOAHHHSD-LJQANCHMSA-N 2 1 363.933 3.105 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000531347407 504275549 /nfs/dbraw/zinc/27/55/49/504275549.db2.gz SLDYUVFLOBEBRX-HXUWFJFHSA-N 2 1 361.530 3.465 20 0 FGADMP COc1ccc(Br)cc1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000519645364 504287794 /nfs/dbraw/zinc/28/77/94/504287794.db2.gz GVZHFRFRKPFPDB-UHFFFAOYSA-N 2 1 352.276 3.256 20 0 FGADMP COc1ccc(Br)cc1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000519645364 504287798 /nfs/dbraw/zinc/28/77/98/504287798.db2.gz GVZHFRFRKPFPDB-UHFFFAOYSA-N 2 1 352.276 3.256 20 0 FGADMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)Cc2ccccc2C1 ZINC000541882364 504289544 /nfs/dbraw/zinc/28/95/44/504289544.db2.gz FJDIKBQFZBVDGR-XPWALMASSA-N 2 1 362.517 3.017 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000541922996 504303251 /nfs/dbraw/zinc/30/32/51/504303251.db2.gz WOPMHLSBLXGFPR-FUHWJXTLSA-N 2 1 355.482 3.192 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000528673763 504324898 /nfs/dbraw/zinc/32/48/98/504324898.db2.gz ULKYISCKLVKAHZ-GOSISDBHSA-N 2 1 367.497 3.461 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797209 504342125 /nfs/dbraw/zinc/34/21/25/504342125.db2.gz RJYPAACCUJLAOM-WSTZPKSXSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797209 504342130 /nfs/dbraw/zinc/34/21/30/504342130.db2.gz RJYPAACCUJLAOM-WSTZPKSXSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000519797209 504342133 /nfs/dbraw/zinc/34/21/33/504342133.db2.gz RJYPAACCUJLAOM-WSTZPKSXSA-N 2 1 360.546 3.067 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720176 504343567 /nfs/dbraw/zinc/34/35/67/504343567.db2.gz KYBHCWKCIKXFIW-MAUKXSAKSA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720176 504343571 /nfs/dbraw/zinc/34/35/71/504343571.db2.gz KYBHCWKCIKXFIW-MAUKXSAKSA-N 2 1 358.486 3.262 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)C[C@@H]1C ZINC000538720176 504343576 /nfs/dbraw/zinc/34/35/76/504343576.db2.gz KYBHCWKCIKXFIW-MAUKXSAKSA-N 2 1 358.486 3.262 20 0 FGADMP CC(C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000519907035 504380265 /nfs/dbraw/zinc/38/02/65/504380265.db2.gz GVNNGPYOACUBKW-UHFFFAOYSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1F ZINC000519907035 504380266 /nfs/dbraw/zinc/38/02/66/504380266.db2.gz GVNNGPYOACUBKW-UHFFFAOYSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539048128 504456855 /nfs/dbraw/zinc/45/68/55/504456855.db2.gz ZTLNSCXIYRLOFZ-MDUILUSMSA-N 2 1 353.913 3.402 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc3cccnc32)c2cccs2)CC1 ZINC000520297454 504458037 /nfs/dbraw/zinc/45/80/37/504458037.db2.gz DSAOYEVUZXFYIR-IBGZPJMESA-N 2 1 366.534 3.375 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069946 504463785 /nfs/dbraw/zinc/46/37/85/504463785.db2.gz AXBIKQKOVWSFOG-PGRDOPGGSA-N 2 1 354.494 3.058 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000520318103 504465186 /nfs/dbraw/zinc/46/51/86/504465186.db2.gz ODAKIEGHJIVMEE-SJORKVTESA-N 2 1 370.884 3.229 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943894 504483571 /nfs/dbraw/zinc/48/35/71/504483571.db2.gz VZTKRYXDGIPELD-YLJYHZDGSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943894 504483581 /nfs/dbraw/zinc/48/35/81/504483581.db2.gz VZTKRYXDGIPELD-YLJYHZDGSA-N 2 1 352.478 3.458 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCC2)c(OCC[NH+](C)C)c1 ZINC000528989064 504484905 /nfs/dbraw/zinc/48/49/05/504484905.db2.gz NWWUPDJESLYUKN-GOSISDBHSA-N 2 1 374.529 3.074 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2N2CCOCC2)cc1 ZINC000531995372 504498354 /nfs/dbraw/zinc/49/83/54/504498354.db2.gz UGABKDQCMHELLM-WTOYTKOKSA-N 2 1 368.525 3.475 20 0 FGADMP CC(C)N1CCC[C@H]([NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1=O ZINC000535680169 504506129 /nfs/dbraw/zinc/50/61/29/504506129.db2.gz IXLMKCGKJGTDLG-NRFANRHFSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000532075838 504526917 /nfs/dbraw/zinc/52/69/17/504526917.db2.gz VPMIFXLAHYMLPH-QKNQBKEWSA-N 2 1 374.573 3.393 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663367 504551779 /nfs/dbraw/zinc/55/17/79/504551779.db2.gz JRPBUSHSKXWASR-KZNAEPCWSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C1CC1 ZINC000520663367 504551784 /nfs/dbraw/zinc/55/17/84/504551784.db2.gz JRPBUSHSKXWASR-KZNAEPCWSA-N 2 1 356.432 3.386 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000548814903 504577124 /nfs/dbraw/zinc/57/71/24/504577124.db2.gz XTBGWTFKCUOYKC-ROUUACIJSA-N 2 1 366.937 3.116 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)c(COC)c2)[C@@H](C)C1 ZINC000532224545 504579658 /nfs/dbraw/zinc/57/96/58/504579658.db2.gz LERMQLYTIREVEL-OXJNMPFZSA-N 2 1 352.494 3.199 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548834328 504584071 /nfs/dbraw/zinc/58/40/71/504584071.db2.gz SXGVLTBEWMMMBN-OAHLLOKOSA-N 2 1 360.420 3.456 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499895 504591218 /nfs/dbraw/zinc/59/12/18/504591218.db2.gz MVXWTLMGRCOVLG-FCHUYYIVSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000542786188 504608795 /nfs/dbraw/zinc/60/87/95/504608795.db2.gz IAJALVCHLTZWCU-MOPGFXCFSA-N 2 1 366.509 3.029 20 0 FGADMP CN(CCC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1 ZINC000542784493 504608983 /nfs/dbraw/zinc/60/89/83/504608983.db2.gz MBHCIURDEVXEOA-NRFANRHFSA-N 2 1 366.509 3.031 20 0 FGADMP CCOc1ccc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000520930600 504612188 /nfs/dbraw/zinc/61/21/88/504612188.db2.gz DAGLNJQFWRGZKS-LJQANCHMSA-N 2 1 359.539 3.225 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccc4c(n3)CCC4)c2)CCO1 ZINC000520988701 504623658 /nfs/dbraw/zinc/62/36/58/504623658.db2.gz ONKCCJVDDNIAPB-KRWDZBQOSA-N 2 1 351.494 3.081 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccc4c(n3)CCC4)c2)CCO1 ZINC000520988701 504623661 /nfs/dbraw/zinc/62/36/61/504623661.db2.gz ONKCCJVDDNIAPB-KRWDZBQOSA-N 2 1 351.494 3.081 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000520986732 504623903 /nfs/dbraw/zinc/62/39/03/504623903.db2.gz CGCOIAOGCRBUKV-HXUWFJFHSA-N 2 1 364.578 3.205 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000521065266 504640966 /nfs/dbraw/zinc/64/09/66/504640966.db2.gz OVRLBNGBVYCLMO-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)(C)C1 ZINC000521065266 504640971 /nfs/dbraw/zinc/64/09/71/504640971.db2.gz OVRLBNGBVYCLMO-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000521065266 504640973 /nfs/dbraw/zinc/64/09/73/504640973.db2.gz OVRLBNGBVYCLMO-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP C[NH+](Cc1ccco1)Cc1ccccc1CNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000521065266 504640977 /nfs/dbraw/zinc/64/09/77/504640977.db2.gz OVRLBNGBVYCLMO-UHFFFAOYSA-N 2 1 369.509 3.260 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000548984950 504644132 /nfs/dbraw/zinc/64/41/32/504644132.db2.gz VYYBPORKOYOVDZ-UHFFFAOYSA-N 2 1 356.514 3.195 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000529404211 504658277 /nfs/dbraw/zinc/65/82/77/504658277.db2.gz VEYFMYFSUVJANN-CIAFKFPVSA-N 2 1 369.553 3.230 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000529404211 504658285 /nfs/dbraw/zinc/65/82/85/504658285.db2.gz VEYFMYFSUVJANN-CIAFKFPVSA-N 2 1 369.553 3.230 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000529404211 504658287 /nfs/dbraw/zinc/65/82/87/504658287.db2.gz VEYFMYFSUVJANN-CIAFKFPVSA-N 2 1 369.553 3.230 20 0 FGADMP COc1ccc([C@H](Cc2ccccc2)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000521319755 504708252 /nfs/dbraw/zinc/70/82/52/504708252.db2.gz LKBSCEXGRSVQCY-IRLDBZIGSA-N 2 1 354.494 3.025 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccc(F)cn1 ZINC000539968338 504750228 /nfs/dbraw/zinc/75/02/28/504750228.db2.gz UEEFWXBRXIEOGD-UTKZUKDTSA-N 2 1 356.489 3.250 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCC[NH+]1CCCCC1 ZINC000532836745 504765367 /nfs/dbraw/zinc/76/53/67/504765367.db2.gz BNPSFASKJHUBOL-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCn2c(C)csc2=O)CC1)CC1CC1 ZINC000540050085 504765843 /nfs/dbraw/zinc/76/58/43/504765843.db2.gz MJTGPRKYAHULSP-UHFFFAOYSA-N 2 1 351.560 3.052 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)c(-c2ccnn2C)c1 ZINC000549253703 504774061 /nfs/dbraw/zinc/77/40/61/504774061.db2.gz YYRDKCSVEAABRA-UHFFFAOYSA-N 2 1 370.541 3.375 20 0 FGADMP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000559091515 504779703 /nfs/dbraw/zinc/77/97/03/504779703.db2.gz QBHSZUVVDXENNS-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091515 504779707 /nfs/dbraw/zinc/77/97/07/504779707.db2.gz QBHSZUVVDXENNS-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP C[C@H]1[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1Cc1ccccc1 ZINC000559091515 504779712 /nfs/dbraw/zinc/77/97/12/504779712.db2.gz QBHSZUVVDXENNS-RXVVDRJESA-N 2 1 357.542 3.420 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCc3ccc(C)cc3C)CC2)CC1 ZINC000552930572 504789809 /nfs/dbraw/zinc/78/98/09/504789809.db2.gz HQVSTPBRXDQIFG-UHFFFAOYSA-N 2 1 357.542 3.116 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000556118990 504800669 /nfs/dbraw/zinc/80/06/69/504800669.db2.gz XAMIUZJTZVQBDU-QKNQBKEWSA-N 2 1 352.478 3.424 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c3ccccc3)C1)C2 ZINC000556118990 504800673 /nfs/dbraw/zinc/80/06/73/504800673.db2.gz XAMIUZJTZVQBDU-QKNQBKEWSA-N 2 1 352.478 3.424 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1)[NH+]1CC(C)C1 ZINC000553039038 504811603 /nfs/dbraw/zinc/81/16/03/504811603.db2.gz FDORBBILULMDAE-GOSISDBHSA-N 2 1 357.542 3.408 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000556194595 504816816 /nfs/dbraw/zinc/81/68/16/504816816.db2.gz WDDFXFGFZJJCKA-IAGOWNOFSA-N 2 1 363.303 3.071 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCn2cc(Br)cn2)C[C@@H]1c1ccccc1 ZINC000556194595 504816819 /nfs/dbraw/zinc/81/68/19/504816819.db2.gz WDDFXFGFZJJCKA-IAGOWNOFSA-N 2 1 363.303 3.071 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000559276615 504817600 /nfs/dbraw/zinc/81/76/00/504817600.db2.gz SZQPUWDABLUTJL-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000559276615 504817604 /nfs/dbraw/zinc/81/76/04/504817604.db2.gz SZQPUWDABLUTJL-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000559276615 504817608 /nfs/dbraw/zinc/81/76/08/504817608.db2.gz SZQPUWDABLUTJL-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311267 504828901 /nfs/dbraw/zinc/82/89/01/504828901.db2.gz IFFZXZQMJWIHOX-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311267 504828906 /nfs/dbraw/zinc/82/89/06/504828906.db2.gz IFFZXZQMJWIHOX-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311267 504828911 /nfs/dbraw/zinc/82/89/11/504828911.db2.gz IFFZXZQMJWIHOX-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000559311267 504828915 /nfs/dbraw/zinc/82/89/15/504828915.db2.gz IFFZXZQMJWIHOX-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP COc1cc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)ccc1C ZINC000562502046 504838802 /nfs/dbraw/zinc/83/88/02/504838802.db2.gz LKLCHJWQOLTSEY-SFHVURJKSA-N 2 1 359.539 3.143 20 0 FGADMP Cc1nc(C(C)C)ccc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549531978 504843403 /nfs/dbraw/zinc/84/34/03/504843403.db2.gz WSOPHSSUXYLYSF-WCRBZPEASA-N 2 1 356.558 3.256 20 0 FGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000549531978 504843405 /nfs/dbraw/zinc/84/34/05/504843405.db2.gz WSOPHSSUXYLYSF-WCRBZPEASA-N 2 1 356.558 3.256 20 0 FGADMP Cc1nc(C(C)C)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000549531978 504843409 /nfs/dbraw/zinc/84/34/09/504843409.db2.gz WSOPHSSUXYLYSF-WCRBZPEASA-N 2 1 356.558 3.256 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000549584816 504854183 /nfs/dbraw/zinc/85/41/83/504854183.db2.gz SEAFLJWRTKWLLA-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[NH+](C)C)cc1 ZINC000553391824 504901924 /nfs/dbraw/zinc/90/19/24/504901924.db2.gz JQFDODVUKMNDCA-FCHUYYIVSA-N 2 1 365.521 3.236 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559785180 504927354 /nfs/dbraw/zinc/92/73/54/504927354.db2.gz MZIHKXGKBIWPOM-RTWAWAEBSA-N 2 1 369.484 3.371 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000559785180 504927359 /nfs/dbraw/zinc/92/73/59/504927359.db2.gz MZIHKXGKBIWPOM-RTWAWAEBSA-N 2 1 369.484 3.371 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@H](O)C[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000565654955 504950727 /nfs/dbraw/zinc/95/07/27/504950727.db2.gz ZMPSTXLCMAVCCD-YLJYHZDGSA-N 2 1 360.542 3.272 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000560114941 504995889 /nfs/dbraw/zinc/99/58/89/504995889.db2.gz GLWLSCJNQZRBDQ-SFHVURJKSA-N 2 1 373.545 3.063 20 0 FGADMP O=C(NCc1c[nH+]c2n1CCCC2)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000560114941 504995891 /nfs/dbraw/zinc/99/58/91/504995891.db2.gz GLWLSCJNQZRBDQ-SFHVURJKSA-N 2 1 373.545 3.063 20 0 FGADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)n1 ZINC000556858621 504998151 /nfs/dbraw/zinc/99/81/51/504998151.db2.gz NVNFLMGDZKTQHL-YPAWHYETSA-N 2 1 352.526 3.494 20 0 FGADMP CCc1nncn1CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556884087 505005449 /nfs/dbraw/zinc/00/54/49/505005449.db2.gz PIZLLRBUUAFKHK-PWRODBHTSA-N 2 1 367.541 3.121 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CCO1 ZINC000550262722 505006040 /nfs/dbraw/zinc/00/60/40/505006040.db2.gz PJDAQYZMUNIPAX-HLAWJBBLSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000553775239 505006174 /nfs/dbraw/zinc/00/61/74/505006174.db2.gz SHNHFOBQGVAGIA-SLYNCCJLSA-N 2 1 373.516 3.123 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000556920453 505017505 /nfs/dbraw/zinc/01/75/05/505017505.db2.gz HAZYHIIPJTZHDH-KRWDZBQOSA-N 2 1 363.933 3.409 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000556920453 505017507 /nfs/dbraw/zinc/01/75/07/505017507.db2.gz HAZYHIIPJTZHDH-KRWDZBQOSA-N 2 1 363.933 3.409 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000563208169 505076088 /nfs/dbraw/zinc/07/60/88/505076088.db2.gz UXKOPTJHWYNTQQ-LAUBAEHRSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000563208169 505076091 /nfs/dbraw/zinc/07/60/91/505076091.db2.gz UXKOPTJHWYNTQQ-LAUBAEHRSA-N 2 1 373.541 3.198 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1)CC1CC1 ZINC000557187909 505088719 /nfs/dbraw/zinc/08/87/19/505088719.db2.gz WWOGOHSWFQUOCD-UHFFFAOYSA-N 2 1 357.542 3.380 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cc1 ZINC000557194187 505090010 /nfs/dbraw/zinc/09/00/10/505090010.db2.gz ZWVCNQNDUWEBRI-DNVCBOLYSA-N 2 1 369.513 3.319 20 0 FGADMP CC(C)OC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000560598967 505139222 /nfs/dbraw/zinc/13/92/22/505139222.db2.gz ZPGMPEFYOGWZJV-HWELCPFYSA-N 2 1 372.553 3.461 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000566332917 505146579 /nfs/dbraw/zinc/14/65/79/505146579.db2.gz WRDWWHMSKVYYKA-GHTZIAJQSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000566332917 505146580 /nfs/dbraw/zinc/14/65/80/505146580.db2.gz WRDWWHMSKVYYKA-GHTZIAJQSA-N 2 1 360.546 3.069 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000566332917 505146584 /nfs/dbraw/zinc/14/65/84/505146584.db2.gz WRDWWHMSKVYYKA-GHTZIAJQSA-N 2 1 360.546 3.069 20 0 FGADMP COC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000554347354 505151221 /nfs/dbraw/zinc/15/12/21/505151221.db2.gz RRYWJSZERCHVOW-RBUKOAKNSA-N 2 1 359.539 3.014 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500419 505158306 /nfs/dbraw/zinc/15/83/06/505158306.db2.gz DPDXAQUQYWBHAP-IIBYNOLFSA-N 2 1 364.493 3.289 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3scnc3C(C)C)CC2)CC1 ZINC000566467162 505183719 /nfs/dbraw/zinc/18/37/19/505183719.db2.gz SEQOQIFFZOGMQG-UHFFFAOYSA-N 2 1 364.559 3.401 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000551238744 505183977 /nfs/dbraw/zinc/18/39/77/505183977.db2.gz DIFZVGJFGABQRS-GGAORHGYSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000551238744 505183978 /nfs/dbraw/zinc/18/39/78/505183978.db2.gz DIFZVGJFGABQRS-GGAORHGYSA-N 2 1 365.521 3.448 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000551239172 505184008 /nfs/dbraw/zinc/18/40/08/505184008.db2.gz NEIOBFXEIMLTNF-DOTOQJQBSA-N 2 1 373.463 3.370 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000560899032 505209648 /nfs/dbraw/zinc/20/96/48/505209648.db2.gz DGWWHAAFGJRXGP-AEFFLSMTSA-N 2 1 357.523 3.121 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CCNC(=O)c2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000560899032 505209651 /nfs/dbraw/zinc/20/96/51/505209651.db2.gz DGWWHAAFGJRXGP-AEFFLSMTSA-N 2 1 357.523 3.121 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(Cc4ccc(F)cc4)c3)C2)CC1 ZINC000563751425 505228821 /nfs/dbraw/zinc/22/88/21/505228821.db2.gz AQZQKPDLDZXFCB-FQEVSTJZSA-N 2 1 356.489 3.234 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC000566672668 505240165 /nfs/dbraw/zinc/24/01/65/505240165.db2.gz ZIQUCNQINRXJHW-INIZCTEOSA-N 2 1 362.481 3.158 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1 ZINC000561057985 505240345 /nfs/dbraw/zinc/24/03/45/505240345.db2.gz ZMURNACUYJEWOL-HXUWFJFHSA-N 2 1 373.928 3.477 20 0 FGADMP COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000566686362 505244020 /nfs/dbraw/zinc/24/40/20/505244020.db2.gz KVTATZHHAITGEJ-JLSDUUJJSA-N 2 1 374.447 3.027 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@H]3Cc3ccccc3)CC2)CC1 ZINC000566806301 505277717 /nfs/dbraw/zinc/27/77/17/505277717.db2.gz QDSOUGBIBAOJIP-JOCHJYFZSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+](Cc1cncc(C[N@@H+](C)C[C@H]2CCCCO2)c1)C[C@H]1CCCCO1 ZINC000566896148 505304122 /nfs/dbraw/zinc/30/41/22/505304122.db2.gz ZTYJYGRLXULPGA-NHCUHLMSSA-N 2 1 361.530 3.083 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000561283652 505304461 /nfs/dbraw/zinc/30/44/61/505304461.db2.gz UBJKSEWPROGBFZ-BPLDGKMQSA-N 2 1 362.499 3.077 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000567000416 505334313 /nfs/dbraw/zinc/33/43/13/505334313.db2.gz ZVYSCDSWTONLAS-LQWHRVPQSA-N 2 1 357.542 3.324 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000551898377 505336905 /nfs/dbraw/zinc/33/69/05/505336905.db2.gz LJGJZAGWHVKTAH-KRWDZBQOSA-N 2 1 355.404 3.136 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000551898377 505336911 /nfs/dbraw/zinc/33/69/11/505336911.db2.gz LJGJZAGWHVKTAH-KRWDZBQOSA-N 2 1 355.404 3.136 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000564145561 505336930 /nfs/dbraw/zinc/33/69/30/505336930.db2.gz ZBMRQBIIJRBQBW-FQEVSTJZSA-N 2 1 368.525 3.078 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CC[C@H](C2CCOCC2)C1 ZINC000551988424 505363923 /nfs/dbraw/zinc/36/39/23/505363923.db2.gz ZUFGOHXYSVEQMN-QAPCUYQASA-N 2 1 368.481 3.152 20 0 FGADMP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)n1 ZINC000552034769 505377056 /nfs/dbraw/zinc/37/70/56/505377056.db2.gz WLVWKKBLYYTZPN-IPMKNSEASA-N 2 1 354.498 3.304 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000567174426 505385833 /nfs/dbraw/zinc/38/58/33/505385833.db2.gz SGKFDMLIMURXHZ-LJQANCHMSA-N 2 1 370.516 3.469 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@H]21 ZINC000552063728 505386619 /nfs/dbraw/zinc/38/66/19/505386619.db2.gz KMYHRXXUTPZXLN-KWXGJIJISA-N 2 1 359.480 3.254 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@H]21 ZINC000552063728 505386623 /nfs/dbraw/zinc/38/66/23/505386623.db2.gz KMYHRXXUTPZXLN-KWXGJIJISA-N 2 1 359.480 3.254 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@H]21 ZINC000552063728 505386626 /nfs/dbraw/zinc/38/66/26/505386626.db2.gz KMYHRXXUTPZXLN-KWXGJIJISA-N 2 1 359.480 3.254 20 0 FGADMP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064163 505388132 /nfs/dbraw/zinc/38/81/32/505388132.db2.gz ZNYVNORCVWLBLB-YPAWHYETSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064163 505388135 /nfs/dbraw/zinc/38/81/35/505388135.db2.gz ZNYVNORCVWLBLB-YPAWHYETSA-N 2 1 356.558 3.109 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)cc2)CC1 ZINC000552064163 505388136 /nfs/dbraw/zinc/38/81/36/505388136.db2.gz ZNYVNORCVWLBLB-YPAWHYETSA-N 2 1 356.558 3.109 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284055 505417737 /nfs/dbraw/zinc/41/77/37/505417737.db2.gz AMBHTAZMRQERCA-LEWJYISDSA-N 2 1 351.494 3.118 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284055 505417739 /nfs/dbraw/zinc/41/77/39/505417739.db2.gz AMBHTAZMRQERCA-LEWJYISDSA-N 2 1 351.494 3.118 20 0 FGADMP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000564447597 505422396 /nfs/dbraw/zinc/42/23/96/505422396.db2.gz IZNMDYUWFRPTGD-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000555560786 505458011 /nfs/dbraw/zinc/45/80/11/505458011.db2.gz MXGHMZKDWGQYPC-QGZVFWFLSA-N 2 1 356.514 3.406 20 0 FGADMP C[N@@H+](CCC(=O)NCCc1nccn1Cc1ccccc1)C1CCCCC1 ZINC000558681564 505461995 /nfs/dbraw/zinc/46/19/95/505461995.db2.gz LQWQKWAEKNXLNE-UHFFFAOYSA-N 2 1 368.525 3.245 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000567452939 505468169 /nfs/dbraw/zinc/46/81/69/505468169.db2.gz BCTCMNVWFCMWDC-IERDGZPVSA-N 2 1 364.493 3.322 20 0 FGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000564727809 505503752 /nfs/dbraw/zinc/50/37/52/505503752.db2.gz WGOWONBLDUYCPY-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP CN(C)C(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCCC1 ZINC000564727809 505503755 /nfs/dbraw/zinc/50/37/55/505503755.db2.gz WGOWONBLDUYCPY-HXUWFJFHSA-N 2 1 369.553 3.422 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671111 505530643 /nfs/dbraw/zinc/53/06/43/505530643.db2.gz LUFYETKRURJIBS-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671111 505530648 /nfs/dbraw/zinc/53/06/48/505530648.db2.gz LUFYETKRURJIBS-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671111 505530653 /nfs/dbraw/zinc/53/06/53/505530653.db2.gz LUFYETKRURJIBS-MOPGFXCFSA-N 2 1 363.933 3.466 20 0 FGADMP CC[C@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000562195379 505537340 /nfs/dbraw/zinc/53/73/40/505537340.db2.gz BUFWATRZUFXAKT-JOCHJYFZSA-N 2 1 367.537 3.318 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000564855217 505540756 /nfs/dbraw/zinc/54/07/56/505540756.db2.gz DPSROQBLNNOAHG-HIFRSBDPSA-N 2 1 361.313 3.055 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1cc2ccccc2o1 ZINC000564989520 505565759 /nfs/dbraw/zinc/56/57/59/505565759.db2.gz PNFLNWYEBCCLDV-DKKFBQAASA-N 2 1 369.509 3.320 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000599314021 506409369 /nfs/dbraw/zinc/40/93/69/506409369.db2.gz IGFKMZVTYFVPMP-OPYAIIAOSA-N 2 1 357.542 3.265 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000608352440 506521114 /nfs/dbraw/zinc/52/11/14/506521114.db2.gz XBVKIYCFWKPWCL-HXUWFJFHSA-N 2 1 357.542 3.294 20 0 FGADMP C[C@H](C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357727 506524137 /nfs/dbraw/zinc/52/41/37/506524137.db2.gz GELDYTBPCUQUDF-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[C@@H]4CCC[C@@H]4C3)CC2)CC1 ZINC000583033564 506552091 /nfs/dbraw/zinc/55/20/91/506552091.db2.gz HUCITQTVQICCAN-DFQSSKMNSA-N 2 1 361.574 3.268 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CSc4ccccc43)CC2)CC1 ZINC000583272184 506689565 /nfs/dbraw/zinc/68/95/65/506689565.db2.gz BXWHPIYUHATEEQ-IBGZPJMESA-N 2 1 373.566 3.146 20 0 FGADMP CC[NH+](Cc1ccccc1C[N@@H+](CC)C[C@H]1CCOC1)C[C@@H]1CCOC1 ZINC000604053810 506699717 /nfs/dbraw/zinc/69/97/17/506699717.db2.gz UKPIKLSCTYOQQL-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1ccccc1C[N@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000604053810 506699724 /nfs/dbraw/zinc/69/97/24/506699724.db2.gz UKPIKLSCTYOQQL-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+](Cc1ccccc1C[N@@H+](CC)C[C@@H]1CCOC1)C[C@H]1CCOC1 ZINC000604053810 506699731 /nfs/dbraw/zinc/69/97/31/506699731.db2.gz UKPIKLSCTYOQQL-BGYRXZFFSA-N 2 1 360.542 3.403 20 0 FGADMP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000604081386 506707077 /nfs/dbraw/zinc/70/70/77/506707077.db2.gz QYYQHZWSIMTJAF-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604185206 506740831 /nfs/dbraw/zinc/74/08/31/506740831.db2.gz QUCPVRYPPIFTJE-FQEVSTJZSA-N 2 1 370.541 3.099 20 0 FGADMP O=C1[C@@H]([N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)CCN1c1ccc(Cl)c(Cl)c1 ZINC000583441381 506782319 /nfs/dbraw/zinc/78/23/19/506782319.db2.gz YTLGIVCGBHAJOJ-AHIWAGSCSA-N 2 1 368.308 3.030 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCc3cccc(C(F)(F)F)c3)C2)CC1 ZINC000600121496 506787438 /nfs/dbraw/zinc/78/74/38/506787438.db2.gz VEIFCIQINDVULY-LJQANCHMSA-N 2 1 369.475 3.348 20 0 FGADMP CCOC(=O)c1ccn(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)c2)n1 ZINC000600166269 506818578 /nfs/dbraw/zinc/81/85/78/506818578.db2.gz LAJOCQQZFRQRHU-QGZVFWFLSA-N 2 1 370.497 3.011 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000600197590 506838471 /nfs/dbraw/zinc/83/84/71/506838471.db2.gz SABUGFIMPWVXFZ-DNVCBOLYSA-N 2 1 370.497 3.375 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000593963854 506854118 /nfs/dbraw/zinc/85/41/18/506854118.db2.gz FCAWMEJRTLRMDG-TZIWHRDSSA-N 2 1 373.516 3.125 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000604815944 506953936 /nfs/dbraw/zinc/95/39/36/506953936.db2.gz BOACZZVPXSMVRJ-XMTFNYHQSA-N 2 1 354.583 3.018 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000583820045 506991446 /nfs/dbraw/zinc/99/14/46/506991446.db2.gz URDWSYCFLSHULW-OAHLLOKOSA-N 2 1 370.472 3.113 20 0 FGADMP CC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000604998872 507027160 /nfs/dbraw/zinc/02/71/60/507027160.db2.gz JWHXQNVAQSETEL-IBGZPJMESA-N 2 1 357.542 3.411 20 0 FGADMP C[C@@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961964 507071997 /nfs/dbraw/zinc/07/19/97/507071997.db2.gz YSPQYWFNGGBDIB-GHTZIAJQSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000583961964 507072002 /nfs/dbraw/zinc/07/20/02/507072002.db2.gz YSPQYWFNGGBDIB-GHTZIAJQSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000583961964 507072008 /nfs/dbraw/zinc/07/20/08/507072008.db2.gz YSPQYWFNGGBDIB-GHTZIAJQSA-N 2 1 357.542 3.135 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000594310435 507073565 /nfs/dbraw/zinc/07/35/65/507073565.db2.gz FJHJUTVSVAUZDT-OALUTQOASA-N 2 1 366.594 3.403 20 0 FGADMP C[N@H+](CCC[NH3+])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000583993992 507092648 /nfs/dbraw/zinc/09/26/48/507092648.db2.gz HOGWFVCLTICZJP-UHFFFAOYSA-N 2 1 364.287 3.204 20 0 FGADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000583993992 507092656 /nfs/dbraw/zinc/09/26/56/507092656.db2.gz HOGWFVCLTICZJP-UHFFFAOYSA-N 2 1 364.287 3.204 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000597867252 507143003 /nfs/dbraw/zinc/14/30/03/507143003.db2.gz ICCDVDIDVAOGRK-GOSISDBHSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000597867252 507143007 /nfs/dbraw/zinc/14/30/07/507143007.db2.gz ICCDVDIDVAOGRK-GOSISDBHSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1Cc1cccc(Cl)c1 ZINC000597867252 507143017 /nfs/dbraw/zinc/14/30/17/507143017.db2.gz ICCDVDIDVAOGRK-GOSISDBHSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000597867252 507143030 /nfs/dbraw/zinc/14/30/30/507143030.db2.gz ICCDVDIDVAOGRK-GOSISDBHSA-N 2 1 351.922 3.151 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000600910859 507175487 /nfs/dbraw/zinc/17/54/87/507175487.db2.gz JJEYFLJPEVTYKF-LJQANCHMSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](CCNC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000600910859 507175491 /nfs/dbraw/zinc/17/54/91/507175491.db2.gz JJEYFLJPEVTYKF-LJQANCHMSA-N 2 1 360.546 3.021 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000613608738 507180098 /nfs/dbraw/zinc/18/00/98/507180098.db2.gz KEDZIHHTYYBATQ-NRFANRHFSA-N 2 1 366.509 3.235 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000584229987 507227215 /nfs/dbraw/zinc/22/72/15/507227215.db2.gz CUUVTZNKGWHXBI-GPMSIDNRSA-N 2 1 361.530 3.259 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559097 507291978 /nfs/dbraw/zinc/29/19/78/507291978.db2.gz GZAULUWIKRKENY-ZCNNSNEGSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559097 507291986 /nfs/dbraw/zinc/29/19/86/507291986.db2.gz GZAULUWIKRKENY-ZCNNSNEGSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000591559097 507292000 /nfs/dbraw/zinc/29/20/00/507292000.db2.gz GZAULUWIKRKENY-ZCNNSNEGSA-N 2 1 366.594 3.164 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CC[N@@H+]1C ZINC000595024499 507358320 /nfs/dbraw/zinc/35/83/20/507358320.db2.gz GSFJYYXXUBXYRX-DIOULYMOSA-N 2 1 370.278 3.351 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3ccc(I)cc32)CC[N@H+]1C ZINC000595024499 507358325 /nfs/dbraw/zinc/35/83/25/507358325.db2.gz GSFJYYXXUBXYRX-DIOULYMOSA-N 2 1 370.278 3.351 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCCN(CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506516 507536663 /nfs/dbraw/zinc/53/66/63/507536663.db2.gz DVHSOMWFKFDEFD-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506516 507536672 /nfs/dbraw/zinc/53/66/72/507536672.db2.gz DVHSOMWFKFDEFD-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506516 507536681 /nfs/dbraw/zinc/53/66/81/507536681.db2.gz DVHSOMWFKFDEFD-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C2 ZINC000595506516 507536689 /nfs/dbraw/zinc/53/66/89/507536689.db2.gz DVHSOMWFKFDEFD-KRWDZBQOSA-N 2 1 358.404 3.382 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000584852406 507541807 /nfs/dbraw/zinc/54/18/07/507541807.db2.gz DGEJRZYRKRGMGD-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000584852406 507541814 /nfs/dbraw/zinc/54/18/14/507541814.db2.gz DGEJRZYRKRGMGD-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000584852406 507541819 /nfs/dbraw/zinc/54/18/19/507541819.db2.gz DGEJRZYRKRGMGD-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000607246882 507670764 /nfs/dbraw/zinc/67/07/64/507670764.db2.gz SWIQGJJTHZLHNT-OALUTQOASA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000592479226 507672443 /nfs/dbraw/zinc/67/24/43/507672443.db2.gz QTLFMDYJNJIPCH-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP CC(C)CCn1cccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366350 507705140 /nfs/dbraw/zinc/70/51/40/507705140.db2.gz JUZKNTADTYILLX-QFIPXVFZSA-N 2 1 355.526 3.261 20 0 FGADMP CC(C)CCn1cccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366350 507705141 /nfs/dbraw/zinc/70/51/41/507705141.db2.gz JUZKNTADTYILLX-QFIPXVFZSA-N 2 1 355.526 3.261 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3CC(F)(F)F)C2)CC1 ZINC000602487311 507724129 /nfs/dbraw/zinc/72/41/29/507724129.db2.gz WULBWGQQTNVWAB-IBGZPJMESA-N 2 1 369.475 3.392 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000821623832 599448157 /nfs/dbraw/zinc/44/81/57/599448157.db2.gz UEAISOBRRVONBK-SJLPKXTDSA-N 2 1 368.510 3.101 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)[C@@H]1c1cccs1 ZINC000821623832 599448158 /nfs/dbraw/zinc/44/81/58/599448158.db2.gz UEAISOBRRVONBK-SJLPKXTDSA-N 2 1 368.510 3.101 20 0 FGADMP FC(F)(F)COc1ccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000125234345 700732993 /nfs/dbraw/zinc/73/29/93/700732993.db2.gz XABSFRNOQMGXLV-UHFFFAOYSA-N 2 1 351.372 3.345 20 0 FGADMP FC(F)(F)COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000125272081 700733667 /nfs/dbraw/zinc/73/36/67/700733667.db2.gz DOJFKBZIGFHOMT-UHFFFAOYSA-N 2 1 351.372 3.345 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000127389107 700760921 /nfs/dbraw/zinc/76/09/21/700760921.db2.gz LNQCDAINVHTXDQ-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C)[C@@H]1CNC(=O)OC(C)(C)C ZINC000127389107 700760923 /nfs/dbraw/zinc/76/09/23/700760923.db2.gz LNQCDAINVHTXDQ-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000163235219 705311381 /nfs/dbraw/zinc/31/13/81/705311381.db2.gz KFWLFGHUOLPYLO-JKSUJKDBSA-N 2 1 351.922 3.169 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOCC3)cc2Cl)C1 ZINC000163235219 705311386 /nfs/dbraw/zinc/31/13/86/705311386.db2.gz KFWLFGHUOLPYLO-JKSUJKDBSA-N 2 1 351.922 3.169 20 0 FGADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429287 705344418 /nfs/dbraw/zinc/34/44/18/705344418.db2.gz QTPPFBGQMSWFLZ-IAGOWNOFSA-N 2 1 351.535 3.430 20 0 FGADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cccc(Br)c1 ZINC000193081016 712881705 /nfs/dbraw/zinc/88/17/05/712881705.db2.gz XPNYDGPNGKGPEJ-GOSISDBHSA-N 2 1 367.331 3.290 20 0 FGADMP CC(C)[C@@H](C[NH2+]C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1)[NH+]1CCCC1 ZINC000195188467 713548444 /nfs/dbraw/zinc/54/84/44/713548444.db2.gz LVIKBLASHMEEGY-XLIONFOSSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[C@@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000236692182 713582491 /nfs/dbraw/zinc/58/24/91/713582491.db2.gz OQJLOQPKNJYJAS-GOSISDBHSA-N 2 1 353.551 3.344 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581547 713626678 /nfs/dbraw/zinc/62/66/78/713626678.db2.gz GDNCVJNNMOXSEQ-WMLDXEAASA-N 2 1 355.320 3.289 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581547 713626680 /nfs/dbraw/zinc/62/66/80/713626680.db2.gz GDNCVJNNMOXSEQ-WMLDXEAASA-N 2 1 355.320 3.289 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581547 713626682 /nfs/dbraw/zinc/62/66/82/713626682.db2.gz GDNCVJNNMOXSEQ-WMLDXEAASA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581547 713626684 /nfs/dbraw/zinc/62/66/84/713626684.db2.gz GDNCVJNNMOXSEQ-WMLDXEAASA-N 2 1 355.320 3.289 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccccc1Br ZINC000246581547 713626686 /nfs/dbraw/zinc/62/66/86/713626686.db2.gz GDNCVJNNMOXSEQ-WMLDXEAASA-N 2 1 355.320 3.289 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246991741 713633935 /nfs/dbraw/zinc/63/39/35/713633935.db2.gz KFGXMGBPUXURKB-OWCLPIDISA-N 2 1 366.937 3.410 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000252416940 713673032 /nfs/dbraw/zinc/67/30/32/713673032.db2.gz PHMKQTVZZCYKGA-RHSMWYFYSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000310511942 713799360 /nfs/dbraw/zinc/79/93/60/713799360.db2.gz ORAYKFBZLVKXOG-XDNAFOTISA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000310511942 713799361 /nfs/dbraw/zinc/79/93/61/713799361.db2.gz ORAYKFBZLVKXOG-XDNAFOTISA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839818 713813523 /nfs/dbraw/zinc/81/35/23/713813523.db2.gz JMJXLCPMUTYTBE-QCLGFWRNSA-N 2 1 351.535 3.379 20 0 FGADMP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322908280 713813860 /nfs/dbraw/zinc/81/38/60/713813860.db2.gz IUNCTQRURVMFTJ-AJYUKVHDSA-N 2 1 351.535 3.379 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000374325399 713913927 /nfs/dbraw/zinc/91/39/27/713913927.db2.gz PENYKGUFBHJPBK-UHFFFAOYSA-N 2 1 351.535 3.194 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000384462085 713982144 /nfs/dbraw/zinc/98/21/44/713982144.db2.gz BAXBERLKXYAXQN-SQNIBIBYSA-N 2 1 353.551 3.484 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860417 714074777 /nfs/dbraw/zinc/07/47/77/714074777.db2.gz ZXGDYQIXNJBTQO-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464860417 714074781 /nfs/dbraw/zinc/07/47/81/714074781.db2.gz ZXGDYQIXNJBTQO-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000464860417 714074782 /nfs/dbraw/zinc/07/47/82/714074782.db2.gz ZXGDYQIXNJBTQO-NCYKPQTJSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000522430529 714188379 /nfs/dbraw/zinc/18/83/79/714188379.db2.gz BXUCSWWKNQNUKL-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCCC2)C1 ZINC000522430529 714188383 /nfs/dbraw/zinc/18/83/83/714188383.db2.gz BXUCSWWKNQNUKL-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCCC2)C1 ZINC000522430529 714188385 /nfs/dbraw/zinc/18/83/85/714188385.db2.gz BXUCSWWKNQNUKL-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP C[N@H+](Cc1ccc(I)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000525274798 714339076 /nfs/dbraw/zinc/33/90/76/714339076.db2.gz KVGPHHSPJFRLTE-CQSZACIVSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1ccc(I)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000525274798 714339084 /nfs/dbraw/zinc/33/90/84/714339084.db2.gz KVGPHHSPJFRLTE-CQSZACIVSA-N 2 1 358.267 3.065 20 0 FGADMP C[NH+](Cc1ccc(I)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525274798 714339092 /nfs/dbraw/zinc/33/90/92/714339092.db2.gz KVGPHHSPJFRLTE-CQSZACIVSA-N 2 1 358.267 3.065 20 0 FGADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000643524498 718037661 /nfs/dbraw/zinc/03/76/61/718037661.db2.gz QCJCTLJXCTVURV-ISWURRPUSA-N 2 1 353.304 3.257 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc(Br)cc2)[C@H]2CCCO2)CC[NH2+]1 ZINC000643525828 718038286 /nfs/dbraw/zinc/03/82/86/718038286.db2.gz SAFORWGVZOWASL-YYQUZTFQSA-N 2 1 353.304 3.399 20 0 FGADMP Brc1ccc([C@@H]([NH2+]CCC[NH2+]C2CC2)[C@H]2CCCO2)cc1 ZINC000643545116 718038859 /nfs/dbraw/zinc/03/88/59/718038859.db2.gz UZRZPQVKLUGKTJ-IAGOWNOFSA-N 2 1 353.304 3.401 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000643595526 718039344 /nfs/dbraw/zinc/03/93/44/718039344.db2.gz RKNZSVKIDAFVOH-BZSNNMDCSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000643595526 718039348 /nfs/dbraw/zinc/03/93/48/718039348.db2.gz RKNZSVKIDAFVOH-BZSNNMDCSA-N 2 1 367.896 3.247 20 0 FGADMP COc1cc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(Br)c1OC ZINC000623404733 715329010 /nfs/dbraw/zinc/32/90/10/715329010.db2.gz IUZWJVJNWWYSOE-CYBMUJFWSA-N 2 1 371.319 3.429 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(Br)c1OC ZINC000623404733 715329027 /nfs/dbraw/zinc/32/90/27/715329027.db2.gz IUZWJVJNWWYSOE-CYBMUJFWSA-N 2 1 371.319 3.429 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624119907 715476408 /nfs/dbraw/zinc/47/64/08/715476408.db2.gz MDPCWBKNHQTFMF-FUMNGEBKSA-N 2 1 363.933 3.008 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(C(F)F)cc1C ZINC000625022773 715644116 /nfs/dbraw/zinc/64/41/16/715644116.db2.gz BMBBFSXLXGZJDW-CQSZACIVSA-N 2 1 357.445 3.014 20 0 FGADMP FC(F)(F)c1cccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000628213559 716126239 /nfs/dbraw/zinc/12/62/39/716126239.db2.gz OFIAEXYASWLXDG-UHFFFAOYSA-N 2 1 356.432 3.483 20 0 FGADMP C[N@H+](Cc1ccsc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278899 716134767 /nfs/dbraw/zinc/13/47/67/716134767.db2.gz LUFXPLWPASKDEC-OAHLLOKOSA-N 2 1 361.477 3.367 20 0 FGADMP C[N@@H+](Cc1ccsc1C(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000628278899 716134768 /nfs/dbraw/zinc/13/47/68/716134768.db2.gz LUFXPLWPASKDEC-OAHLLOKOSA-N 2 1 361.477 3.367 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629581892 716311647 /nfs/dbraw/zinc/31/16/47/716311647.db2.gz JCERFUHWUOYLOA-UNEWFSDZSA-N 2 1 365.315 3.148 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629653719 716329211 /nfs/dbraw/zinc/32/92/11/716329211.db2.gz FSBBNJJESLKJNK-OCCSQVGLSA-N 2 1 352.347 3.290 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)F)cc2)CC[C@@H]1C(F)(F)F ZINC000629653719 716329221 /nfs/dbraw/zinc/32/92/21/716329221.db2.gz FSBBNJJESLKJNK-OCCSQVGLSA-N 2 1 352.347 3.290 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629656213 716329892 /nfs/dbraw/zinc/32/98/92/716329892.db2.gz NBCQEIGMHBMZKA-HOCLYGCPSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629656213 716329897 /nfs/dbraw/zinc/32/98/97/716329897.db2.gz NBCQEIGMHBMZKA-HOCLYGCPSA-N 2 1 352.404 3.344 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634706206 717108947 /nfs/dbraw/zinc/10/89/47/717108947.db2.gz MHHBXPASNPDGOC-MRXNPFEDSA-N 2 1 372.296 3.308 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H]1c1cccs1 ZINC000635602413 717180802 /nfs/dbraw/zinc/18/08/02/717180802.db2.gz GYCQDNXTNWTTDN-AEFFLSMTSA-N 2 1 361.555 3.123 20 0 FGADMP CCc1cnc(NC(=O)CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000637957615 717394352 /nfs/dbraw/zinc/39/43/52/717394352.db2.gz IQSJOVZZFSZZDS-UHFFFAOYSA-N 2 1 358.511 3.028 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(CC(F)(F)F)cc1 ZINC000638178078 717416993 /nfs/dbraw/zinc/41/69/93/717416993.db2.gz FAKHYBNLVXRJKH-SQNIBIBYSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)c(Br)c1 ZINC000638591836 717468180 /nfs/dbraw/zinc/46/81/80/717468180.db2.gz MYEISZXKYDPCMX-GFCCVEGCSA-N 2 1 373.310 3.474 20 0 FGADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C2)CC1 ZINC000639758424 717598942 /nfs/dbraw/zinc/59/89/42/717598942.db2.gz SRVWDYFBMNMMHI-UHFFFAOYSA-N 2 1 356.297 3.350 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3Cl)C2)CC1 ZINC000639758424 717598944 /nfs/dbraw/zinc/59/89/44/717598944.db2.gz SRVWDYFBMNMMHI-UHFFFAOYSA-N 2 1 356.297 3.350 20 0 FGADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cncc(Br)c2)[C@H](c2ccccc2)C1 ZINC000647249225 718343233 /nfs/dbraw/zinc/34/32/33/718343233.db2.gz KUMOWYZAYNLRKI-AEFFLSMTSA-N 2 1 360.299 3.279 20 0 FGADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cncc(Br)c2)[C@H](c2ccccc2)C1 ZINC000647249225 718343238 /nfs/dbraw/zinc/34/32/38/718343238.db2.gz KUMOWYZAYNLRKI-AEFFLSMTSA-N 2 1 360.299 3.279 20 0 FGADMP C[N@@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647872222 718382319 /nfs/dbraw/zinc/38/23/19/718382319.db2.gz IQKGZHOXZHJYKA-ROUUACIJSA-N 2 1 352.400 3.068 20 0 FGADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647872222 718382322 /nfs/dbraw/zinc/38/23/22/718382322.db2.gz IQKGZHOXZHJYKA-ROUUACIJSA-N 2 1 352.400 3.068 20 0 FGADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965184 718390727 /nfs/dbraw/zinc/39/07/27/718390727.db2.gz LAAWSCFIGSRLHV-QGZVFWFLSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965184 718390729 /nfs/dbraw/zinc/39/07/29/718390729.db2.gz LAAWSCFIGSRLHV-QGZVFWFLSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965184 718390732 /nfs/dbraw/zinc/39/07/32/718390732.db2.gz LAAWSCFIGSRLHV-QGZVFWFLSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)CC1(c2ccc(Br)cc2)CC1 ZINC000647965184 718390733 /nfs/dbraw/zinc/39/07/33/718390733.db2.gz LAAWSCFIGSRLHV-QGZVFWFLSA-N 2 1 369.347 3.114 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977946 718391680 /nfs/dbraw/zinc/39/16/80/718391680.db2.gz KBGZJEWXBYJADM-IXDOHACOSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)CO[C@H](C)c1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977946 718391681 /nfs/dbraw/zinc/39/16/81/718391681.db2.gz KBGZJEWXBYJADM-IXDOHACOSA-N 2 1 350.507 3.015 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161106 718402299 /nfs/dbraw/zinc/40/22/99/718402299.db2.gz XVIXTWCRAZPUSG-FUHWJXTLSA-N 2 1 353.457 3.122 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161106 718402300 /nfs/dbraw/zinc/40/23/00/718402300.db2.gz XVIXTWCRAZPUSG-FUHWJXTLSA-N 2 1 353.457 3.122 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379246 718420690 /nfs/dbraw/zinc/42/06/90/718420690.db2.gz WTHVQXDFDRMXCA-INIZCTEOSA-N 2 1 351.878 3.414 20 0 FGADMP COC1CCN(CC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000648500177 718432390 /nfs/dbraw/zinc/43/23/90/718432390.db2.gz NWWXFWVHBJDXRR-UHFFFAOYSA-N 2 1 353.595 3.366 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc(Cl)c1OC ZINC000650705364 718716536 /nfs/dbraw/zinc/71/65/36/718716536.db2.gz FKGVDJNUOKZWAV-YQQAZPJKSA-N 2 1 368.905 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)s3)C2)C1 ZINC000650706372 718716938 /nfs/dbraw/zinc/71/69/38/718716938.db2.gz JMHHCIPJOLMINJ-BZPMIXESSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C2)C1 ZINC000650707380 718717682 /nfs/dbraw/zinc/71/76/82/718717682.db2.gz DVZLFYOCROEYFY-CPUCHLNUSA-N 2 1 358.404 3.145 20 0 FGADMP COc1ccc(Br)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650717604 718719229 /nfs/dbraw/zinc/71/92/29/718719229.db2.gz HCJUPRWSPLCCMJ-UHFFFAOYSA-N 2 1 353.235 3.345 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(Br)cc2)C1 ZINC000650722279 718719986 /nfs/dbraw/zinc/71/99/86/718719986.db2.gz OPTOVPSALDWHMB-ZACQAIPSSA-N 2 1 353.304 3.310 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721929 718720223 /nfs/dbraw/zinc/72/02/23/718720223.db2.gz GDMBVROQELFYLC-OLMNPRSZSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(-c3ccccn3)n2)C1 ZINC000650721929 718720225 /nfs/dbraw/zinc/72/02/25/718720225.db2.gz GDMBVROQELFYLC-OLMNPRSZSA-N 2 1 358.511 3.066 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(O)c2Br)C1 ZINC000650725293 718721293 /nfs/dbraw/zinc/72/12/93/718721293.db2.gz XQGSKZXEDANDLL-YCPHGPKFSA-N 2 1 369.303 3.016 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)cc1 ZINC000652222351 718924055 /nfs/dbraw/zinc/92/40/55/718924055.db2.gz LVYTZAXCEBJWFM-MRXNPFEDSA-N 2 1 355.548 3.077 20 0 FGADMP CSc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348513 718935316 /nfs/dbraw/zinc/93/53/16/718935316.db2.gz GZLYHGVSGLYRSQ-FRQCXROJSA-N 2 1 350.528 3.006 20 0 FGADMP C[NH+](C)[C@@H](CNC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655717916 719329382 /nfs/dbraw/zinc/32/93/82/719329382.db2.gz GANHAXIYXGDQQH-PMACEKPBSA-N 2 1 365.949 3.176 20 0 FGADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655733977 719331600 /nfs/dbraw/zinc/33/16/00/719331600.db2.gz WHIDSAVVVGNCQS-QFBILLFUSA-N 2 1 352.906 3.261 20 0 FGADMP Fc1cccc(F)c1C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCC1 ZINC000655777288 719338811 /nfs/dbraw/zinc/33/88/11/719338811.db2.gz SJSVJJUMQIYRCJ-MRXNPFEDSA-N 2 1 350.453 3.229 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cnc(C4CCC4)s3)cc2)C1 ZINC000657597696 719681434 /nfs/dbraw/zinc/68/14/34/719681434.db2.gz WSTXROMTSQREGK-GOSISDBHSA-N 2 1 357.523 3.267 20 0 FGADMP C[C@@H]1C[NH+](CCCCCCCCC[N@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000781919977 724612807 /nfs/dbraw/zinc/61/28/07/724612807.db2.gz UDELBJLKNJMSQB-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[N@H+](CCCCCCCCC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000781919977 724612809 /nfs/dbraw/zinc/61/28/09/724612809.db2.gz UDELBJLKNJMSQB-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCCCCCC[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O ZINC000781919977 724612811 /nfs/dbraw/zinc/61/28/11/724612811.db2.gz UDELBJLKNJMSQB-WOZUAGRISA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC2(CS(C)(=O)=O)CC2)CC1 ZINC000658080643 719754028 /nfs/dbraw/zinc/75/40/28/719754028.db2.gz KLWMOPBYSDQTLS-UHFFFAOYSA-N 2 1 372.619 3.470 20 0 FGADMP CN(C)c1cc[nH+]c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1 ZINC001164694881 719892137 /nfs/dbraw/zinc/89/21/37/719892137.db2.gz GTKLWGDHYBAEFV-UHFFFAOYSA-N 2 1 372.538 3.081 20 0 FGADMP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000659312398 719895759 /nfs/dbraw/zinc/89/57/59/719895759.db2.gz XVIGPIJGUXPCBU-RTBURBONSA-N 2 1 355.869 3.048 20 0 FGADMP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659946029 719962007 /nfs/dbraw/zinc/96/20/07/719962007.db2.gz YUNFUIZFOXQARZ-APWZRJJASA-N 2 1 359.539 3.440 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979905 719967097 /nfs/dbraw/zinc/96/70/97/719967097.db2.gz YUJONOCLRYQJQX-VQIMIIECSA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979905 719967102 /nfs/dbraw/zinc/96/71/02/719967102.db2.gz YUJONOCLRYQJQX-VQIMIIECSA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CC[C@H]2Sc3ccccc3NC2=O)C1 ZINC000659979905 719967104 /nfs/dbraw/zinc/96/71/04/719967104.db2.gz YUJONOCLRYQJQX-VQIMIIECSA-N 2 1 359.539 3.153 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651897 720090790 /nfs/dbraw/zinc/09/07/90/720090790.db2.gz DQRBMGRXUOJICQ-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651897 720090794 /nfs/dbraw/zinc/09/07/94/720090794.db2.gz DQRBMGRXUOJICQ-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651897 720090800 /nfs/dbraw/zinc/09/08/00/720090800.db2.gz DQRBMGRXUOJICQ-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C2 ZINC000660651897 720090805 /nfs/dbraw/zinc/09/08/05/720090805.db2.gz DQRBMGRXUOJICQ-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678656 720098469 /nfs/dbraw/zinc/09/84/69/720098469.db2.gz XNQLKXHLNDNMHI-NRFANRHFSA-N 2 1 358.913 3.498 20 0 FGADMP O=C(C[N@@H+]1C[C@@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000660933816 720148360 /nfs/dbraw/zinc/14/83/60/720148360.db2.gz YXAPMFKTUKVTRA-HKUYNNGSSA-N 2 1 359.539 3.048 20 0 FGADMP O=C(C[N@H+]1C[C@@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000660933816 720148364 /nfs/dbraw/zinc/14/83/64/720148364.db2.gz YXAPMFKTUKVTRA-HKUYNNGSSA-N 2 1 359.539 3.048 20 0 FGADMP Clc1ccc(O[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1Cl ZINC000662257479 720405290 /nfs/dbraw/zinc/40/52/90/720405290.db2.gz CZWRCBZHBYTPDY-CABCVRRESA-N 2 1 371.308 3.358 20 0 FGADMP Brc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258505 720405985 /nfs/dbraw/zinc/40/59/85/720405985.db2.gz JFULEXXAETWTPD-BBRMVZONSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662283220 720409992 /nfs/dbraw/zinc/40/99/92/720409992.db2.gz SIPNNQBIFGVQFP-DOTOQJQBSA-N 2 1 358.404 3.145 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3OC(F)F)C2)C1 ZINC000662286866 720410049 /nfs/dbraw/zinc/41/00/49/720410049.db2.gz STDNGKOQSSZBKY-XGWLTEMNSA-N 2 1 358.404 3.145 20 0 FGADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662313436 720414000 /nfs/dbraw/zinc/41/40/00/720414000.db2.gz OEHBYLIDHKGUGF-CZUORRHYSA-N 2 1 368.319 3.227 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)[C@@H]1CCC[NH3+] ZINC000662313436 720414003 /nfs/dbraw/zinc/41/40/03/720414003.db2.gz OEHBYLIDHKGUGF-CZUORRHYSA-N 2 1 368.319 3.227 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000662323865 720415326 /nfs/dbraw/zinc/41/53/26/720415326.db2.gz SLQNEXYPEWRDEF-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CCO1 ZINC000662323865 720415330 /nfs/dbraw/zinc/41/53/30/720415330.db2.gz SLQNEXYPEWRDEF-KRWDZBQOSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)CCO1 ZINC000662321911 720415411 /nfs/dbraw/zinc/41/54/11/720415411.db2.gz KUFZHYUHDFSMSH-HNNXBMFYSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CCO1 ZINC000662321911 720415413 /nfs/dbraw/zinc/41/54/13/720415413.db2.gz KUFZHYUHDFSMSH-HNNXBMFYSA-N 2 1 360.420 3.127 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)c1ccccc1Cl ZINC000662343460 720417091 /nfs/dbraw/zinc/41/70/91/720417091.db2.gz RKMPMZFLXRMYQB-MOPGFXCFSA-N 2 1 357.885 3.294 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422035 720426918 /nfs/dbraw/zinc/42/69/18/720426918.db2.gz ZBELNANQUQDOLH-BLLLJJGKSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662422035 720426919 /nfs/dbraw/zinc/42/69/19/720426919.db2.gz ZBELNANQUQDOLH-BLLLJJGKSA-N 2 1 358.313 3.100 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC(C[NH+](C)C)CC1)c1cccc(Cl)c1Cl ZINC000662474208 720432153 /nfs/dbraw/zinc/43/21/53/720432153.db2.gz VJIREBLIBXZIMY-INIZCTEOSA-N 2 1 358.313 3.054 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3c2C[NH2+]C3)[C@@H]1c1cccs1 ZINC000662474070 720432323 /nfs/dbraw/zinc/43/23/23/720432323.db2.gz RYWNGVVWLARIPY-HNAYVOBHSA-N 2 1 355.507 3.164 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662704280 720453227 /nfs/dbraw/zinc/45/32/27/720453227.db2.gz YGTYANYDRNXLDW-BZNIZROVSA-N 2 1 358.313 3.100 20 0 FGADMP Cc1c(Br)cncc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000668169327 721249369 /nfs/dbraw/zinc/24/93/69/721249369.db2.gz OCKKMECASKMIOL-HNNXBMFYSA-N 2 1 352.320 3.316 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672620769 721639509 /nfs/dbraw/zinc/63/95/09/721639509.db2.gz RNUDOZGSMZTFND-HQRMLTQVSA-N 2 1 368.949 3.143 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000726601881 722436420 /nfs/dbraw/zinc/43/64/20/722436420.db2.gz SWVNLDJKGMFRNK-UHFFFAOYSA-N 2 1 353.551 3.438 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347363 722725602 /nfs/dbraw/zinc/72/56/02/722725602.db2.gz WLGJOOYLFONFRS-JLSDUUJJSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347363 722725604 /nfs/dbraw/zinc/72/56/04/722725604.db2.gz WLGJOOYLFONFRS-JLSDUUJJSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000749347363 722725606 /nfs/dbraw/zinc/72/56/06/722725606.db2.gz WLGJOOYLFONFRS-JLSDUUJJSA-N 2 1 358.448 3.271 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(F)(F)C(F)F ZINC000750837380 722782893 /nfs/dbraw/zinc/78/28/93/722782893.db2.gz XVZWNFXYQFLUDO-UHFFFAOYSA-N 2 1 353.448 3.015 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000763432425 723342865 /nfs/dbraw/zinc/34/28/65/723342865.db2.gz KLNRICYAOHOJPK-KRWDZBQOSA-N 2 1 353.551 3.488 20 0 FGADMP COCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000792925293 723382972 /nfs/dbraw/zinc/38/29/72/723382972.db2.gz JONQSUUFQKNEPW-PBHICJAKSA-N 2 1 361.313 3.117 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000764461192 723415352 /nfs/dbraw/zinc/41/53/52/723415352.db2.gz BOJBTQLHYNJDPC-ZBFHGGJFSA-N 2 1 364.946 3.436 20 0 FGADMP C[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000764467879 723416095 /nfs/dbraw/zinc/41/60/95/723416095.db2.gz YZJNXEANJMBBRI-LPHOPBHVSA-N 2 1 361.530 3.397 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@]1(CNC(=O)OC(C)(C)C)CCCC[C@H]1C ZINC000766250294 723564595 /nfs/dbraw/zinc/56/45/95/723564595.db2.gz KUCZVPDUPXMOAM-BEFAXECRSA-N 2 1 350.507 3.255 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450457 724913608 /nfs/dbraw/zinc/91/36/08/724913608.db2.gz FYTAVGWHFCFGFN-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC(=O)OC(C)(C)C ZINC000785450457 724913610 /nfs/dbraw/zinc/91/36/10/724913610.db2.gz FYTAVGWHFCFGFN-ROUUACIJSA-N 2 1 353.551 3.488 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC3(C2)CN(C(=O)OC(C)(C)C)C3)C1 ZINC000788596246 725074599 /nfs/dbraw/zinc/07/45/99/725074599.db2.gz YCLMRUBDJAIGDQ-MRXNPFEDSA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810146484 725292773 /nfs/dbraw/zinc/29/27/73/725292773.db2.gz RMWZFAAIGRZENH-FUHIMQAGSA-N 2 1 355.542 3.073 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000810146484 725292775 /nfs/dbraw/zinc/29/27/75/725292775.db2.gz RMWZFAAIGRZENH-FUHIMQAGSA-N 2 1 355.542 3.073 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810146484 725292777 /nfs/dbraw/zinc/29/27/77/725292777.db2.gz RMWZFAAIGRZENH-FUHIMQAGSA-N 2 1 355.542 3.073 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000810465272 725309292 /nfs/dbraw/zinc/30/92/92/725309292.db2.gz KWAIOOIRIFTGBN-APWZRJJASA-N 2 1 369.912 3.271 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000812122601 725389154 /nfs/dbraw/zinc/38/91/54/725389154.db2.gz KBOQZVXKLAPQEP-LMDPOFIKSA-N 2 1 352.567 3.203 20 0 FGADMP CC1(C)[C@H](O)CC[NH+]1CCCCCCCCC[N@@H+]1CC[C@H](O)C1(C)C ZINC000812868722 726819489 /nfs/dbraw/zinc/81/94/89/726819489.db2.gz MIAJAQGZFPVFSO-KDURUIRLSA-N 2 1 354.579 3.408 20 0 FGADMP CC1(C)[C@H](O)CC[N@H+]1CCCCCCCCC[NH+]1CC[C@H](O)C1(C)C ZINC000812868722 726819492 /nfs/dbraw/zinc/81/94/92/726819492.db2.gz MIAJAQGZFPVFSO-KDURUIRLSA-N 2 1 354.579 3.408 20 0 FGADMP CC1(C)[C@H](O)CC[N@@H+]1CCCCCCCCC[NH+]1CC[C@H](O)C1(C)C ZINC000812868722 726819493 /nfs/dbraw/zinc/81/94/93/726819493.db2.gz MIAJAQGZFPVFSO-KDURUIRLSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817985863 727290760 /nfs/dbraw/zinc/29/07/60/727290760.db2.gz NRCWWLCZJGKAHB-GXTWGEPZSA-N 2 1 358.454 3.008 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981489 727334114 /nfs/dbraw/zinc/33/41/14/727334114.db2.gz VGXYKJGWYRNLLB-GUYCJALGSA-N 2 1 373.310 3.117 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000819152228 727353089 /nfs/dbraw/zinc/35/30/89/727353089.db2.gz OQCLVJVHFCBVFW-YOEHRIQHSA-N 2 1 360.420 3.186 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CCCO1 ZINC000819265037 727362546 /nfs/dbraw/zinc/36/25/46/727362546.db2.gz LAQSBVIBSAOCAJ-SUMWQHHRSA-N 2 1 361.313 3.117 20 0 FGADMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccnc(Cl)c3F)cc2)CC1 ZINC000823568539 729289208 /nfs/dbraw/zinc/28/92/08/729289208.db2.gz CBDQMXGQEMBERR-UHFFFAOYSA-N 2 1 363.864 3.121 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc(Cl)n1 ZINC000827533122 729431454 /nfs/dbraw/zinc/43/14/54/729431454.db2.gz CNTXKKGZZPQPIS-QGZVFWFLSA-N 2 1 366.937 3.012 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831481857 729645211 /nfs/dbraw/zinc/64/52/11/729645211.db2.gz WBMPCLJDMHPQCM-KDOFPFPSSA-N 2 1 355.885 3.107 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513345 729808812 /nfs/dbraw/zinc/80/88/12/729808812.db2.gz KYBYIXLCGXZHLA-VSZNYVQBSA-N 2 1 351.535 3.381 20 0 FGADMP C[N@@H+](Cc1nc(-c2cccc(C(F)(F)F)c2)no1)C1CCC([NH3+])CC1 ZINC000843355039 730610105 /nfs/dbraw/zinc/61/01/05/730610105.db2.gz JXRUISCDZWVDAR-UHFFFAOYSA-N 2 1 354.376 3.457 20 0 FGADMP Fc1ccc(OCc2nc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000843364231 730610910 /nfs/dbraw/zinc/61/09/10/730610910.db2.gz VBXUAISIIGCXPE-UHFFFAOYSA-N 2 1 361.486 3.437 20 0 FGADMP Fc1ccc(OCc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)cc1 ZINC000843364231 730610912 /nfs/dbraw/zinc/61/09/12/730610912.db2.gz VBXUAISIIGCXPE-UHFFFAOYSA-N 2 1 361.486 3.437 20 0 FGADMP FC1(F)C[C@]12CCC[NH+](CCOCC[N@@H+]1CCC[C@]3(CC3(F)F)C1)C2 ZINC000844438861 730718380 /nfs/dbraw/zinc/71/83/80/730718380.db2.gz TWCKZLBKOVSRHY-HOTGVXAUSA-N 2 1 364.427 3.245 20 0 FGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cnc1Cl ZINC000848547165 731179095 /nfs/dbraw/zinc/17/90/95/731179095.db2.gz LBFNTGJWPIJXPU-NZSAHSFTSA-N 2 1 358.917 3.464 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000850379860 731350298 /nfs/dbraw/zinc/35/02/98/731350298.db2.gz HNEFQOAFDVEGFM-OWYHZJEWSA-N 2 1 350.453 3.443 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[N@H+]1Cc1ccccc1 ZINC000850379860 731350299 /nfs/dbraw/zinc/35/02/99/731350299.db2.gz HNEFQOAFDVEGFM-OWYHZJEWSA-N 2 1 350.453 3.443 20 0 FGADMP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)NC(=O)OC(C)(C)C ZINC000850566710 731374223 /nfs/dbraw/zinc/37/42/23/731374223.db2.gz QRFGFVQATXCHQE-MLHJIOFPSA-N 2 1 353.551 3.388 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC[C@H]3COC(C)(C)O3)C2)s1 ZINC000852023838 731534935 /nfs/dbraw/zinc/53/49/35/731534935.db2.gz YKBNKRGVZZVLFL-SJORKVTESA-N 2 1 352.544 3.352 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC[C@H]3COC(C)(C)O3)C2)s1 ZINC000852023838 731534938 /nfs/dbraw/zinc/53/49/38/731534938.db2.gz YKBNKRGVZZVLFL-SJORKVTESA-N 2 1 352.544 3.352 20 0 FGADMP Cc1nn(CC(C)C)c(Cl)c1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000852745970 731629450 /nfs/dbraw/zinc/62/94/50/731629450.db2.gz FYHAFPCQULJWMP-CVEARBPZSA-N 2 1 366.937 3.159 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000858119584 732182481 /nfs/dbraw/zinc/18/24/81/732182481.db2.gz PISIPXVCVHODFH-ULQDDVLXSA-N 2 1 353.551 3.484 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CCC3CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000859291538 732304582 /nfs/dbraw/zinc/30/45/82/732304582.db2.gz IOMNDFOGRQOOMT-UHFFFAOYSA-N 2 1 351.535 3.051 20 0 FGADMP CC(C)(C)OC(=O)N[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)CC(F)(F)F ZINC000865416501 733195206 /nfs/dbraw/zinc/19/52/06/733195206.db2.gz AJKFDRVIWUGFKX-MELADBBJSA-N 2 1 365.440 3.049 20 0 FGADMP COCCc1ncc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)s1 ZINC000865437030 733200668 /nfs/dbraw/zinc/20/06/68/733200668.db2.gz XCPOFQVWYDHDEC-UHFFFAOYSA-N 2 1 351.560 3.466 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600951 733234799 /nfs/dbraw/zinc/23/47/99/733234799.db2.gz WMKDRVYGLVGEKS-KBPBESRZSA-N 2 1 367.456 3.154 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600953 733235098 /nfs/dbraw/zinc/23/50/98/733235098.db2.gz WMKDRVYGLVGEKS-UONOGXRCSA-N 2 1 367.456 3.154 20 0 FGADMP C[N@@H+](CCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2)C1CC1 ZINC000877577439 736687627 /nfs/dbraw/zinc/68/76/27/736687627.db2.gz CTNLRFWSZXIEIM-BQFCYCMXSA-N 2 1 351.535 3.238 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000877584486 736688508 /nfs/dbraw/zinc/68/85/08/736688508.db2.gz GFXIWMUYEVIQRJ-FJIDUMEYSA-N 2 1 351.535 3.096 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000877625500 736696014 /nfs/dbraw/zinc/69/60/14/736696014.db2.gz ZJNNPILKSYPZQX-WEVXLUSXSA-N 2 1 368.458 3.066 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740288 736712639 /nfs/dbraw/zinc/71/26/39/736712639.db2.gz JXAQZTAHEVKAHM-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740288 736712641 /nfs/dbraw/zinc/71/26/41/736712641.db2.gz JXAQZTAHEVKAHM-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@H]21 ZINC000877740288 736712644 /nfs/dbraw/zinc/71/26/44/736712644.db2.gz JXAQZTAHEVKAHM-KZNAEPCWSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H]3[C@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743211 736713242 /nfs/dbraw/zinc/71/32/42/736713242.db2.gz ULYDCTBXBXJTTP-BRSBDYLESA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743211 736713250 /nfs/dbraw/zinc/71/32/50/736713250.db2.gz ULYDCTBXBXJTTP-BRSBDYLESA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743211 736713254 /nfs/dbraw/zinc/71/32/54/736713254.db2.gz ULYDCTBXBXJTTP-BRSBDYLESA-N 2 1 351.535 3.048 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017774 736758964 /nfs/dbraw/zinc/75/89/64/736758964.db2.gz NPWXXNIZKUIKPT-UXHICEINSA-N 2 1 350.547 3.159 20 0 FGADMP CCC1([NH+]2CCCCC2)CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000880254750 737142410 /nfs/dbraw/zinc/14/24/10/737142410.db2.gz MUBLBGLBYXBCFP-LJQANCHMSA-N 2 1 350.547 3.445 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884176416 737640969 /nfs/dbraw/zinc/64/09/69/737640969.db2.gz FFIRBVORROCUJV-XJKSGUPXSA-N 2 1 359.436 3.332 20 0 FGADMP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ccccc1)C2)[C@@H](O)C(F)(F)F ZINC000886558492 739267407 /nfs/dbraw/zinc/26/74/07/739267407.db2.gz LSLXKAPROGDECX-FLXSYLCISA-N 2 1 356.432 3.331 20 0 FGADMP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893209585 742124650 /nfs/dbraw/zinc/12/46/50/742124650.db2.gz LIBLQPIGLKCNRT-JXXIJFNNSA-N 2 1 351.897 3.439 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH+]2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000895670449 742438443 /nfs/dbraw/zinc/43/84/43/742438443.db2.gz IRLQVPUWMIEEIG-IBGZPJMESA-N 2 1 351.535 3.194 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900439913 743113452 /nfs/dbraw/zinc/11/34/52/743113452.db2.gz PSLUBETUXJUWTH-YQVWRLOYSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900439913 743113459 /nfs/dbraw/zinc/11/34/59/743113459.db2.gz PSLUBETUXJUWTH-YQVWRLOYSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000900439913 743113466 /nfs/dbraw/zinc/11/34/66/743113466.db2.gz PSLUBETUXJUWTH-YQVWRLOYSA-N 2 1 361.555 3.093 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](C[C@@H]3[C@@H](c4ccccc4)C3(F)F)C2)C1 ZINC000903461445 743853318 /nfs/dbraw/zinc/85/33/18/743853318.db2.gz UHLBVQOIUZRICH-UURKPOQGSA-N 2 1 350.453 3.254 20 0 FGADMP C[C@@H]1C[N@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C[C@H]1CC[NH3+] ZINC000903498965 743856279 /nfs/dbraw/zinc/85/62/79/743856279.db2.gz PHSVJCSQTKCWCL-GHMZBOCLSA-N 2 1 355.269 3.460 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2noc(-c3cccc(Cl)c3Cl)n2)C[C@H]1CC[NH3+] ZINC000903498965 743856281 /nfs/dbraw/zinc/85/62/81/743856281.db2.gz PHSVJCSQTKCWCL-GHMZBOCLSA-N 2 1 355.269 3.460 20 0 FGADMP C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903721616 743879462 /nfs/dbraw/zinc/87/94/62/743879462.db2.gz BQMLXECXMUSYSJ-ZDUSSCGKSA-N 2 1 359.333 3.101 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC000903969827 743906603 /nfs/dbraw/zinc/90/66/03/743906603.db2.gz LXNFTMXFGUDDEF-RHSMWYFYSA-N 2 1 367.331 3.128 20 0 FGADMP C[C@H](C[NH2+][C@@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000903972652 743907037 /nfs/dbraw/zinc/90/70/37/743907037.db2.gz JBHLAMVDMZWOMO-PBHICJAKSA-N 2 1 367.331 3.301 20 0 FGADMP Cc1nc2ccc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)cc2s1 ZINC000903980264 743907797 /nfs/dbraw/zinc/90/77/97/743907797.db2.gz MOMRGIMFBNDOHS-HDICACEKSA-N 2 1 356.539 3.005 20 0 FGADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474211 743957065 /nfs/dbraw/zinc/95/70/65/743957065.db2.gz KDZIEMHFMFRWIC-YVEFUNNKSA-N 2 1 367.280 3.072 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230601 744004549 /nfs/dbraw/zinc/00/45/49/744004549.db2.gz GHUJHLMNGVXHTK-SUMWQHHRSA-N 2 1 361.313 3.117 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)CC(F)(F)F ZINC000905709562 744045577 /nfs/dbraw/zinc/04/55/77/744045577.db2.gz NRUPJOQBXSDELW-XMTFNYHQSA-N 2 1 356.432 3.190 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCC(C)(C)C)CC2(C)C)CC[N@H+]1C ZINC000940756954 762159514 /nfs/dbraw/zinc/15/95/14/762159514.db2.gz NSQYXXMFXDDKOP-RCCFBDPRSA-N 2 1 351.579 3.370 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)CC[NH+]1C ZINC000940756954 762159521 /nfs/dbraw/zinc/15/95/21/762159521.db2.gz NSQYXXMFXDDKOP-RCCFBDPRSA-N 2 1 351.579 3.370 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](CCC(C)(C)C)CC2(C)C)CC[NH+]1C ZINC000940756954 762159527 /nfs/dbraw/zinc/15/95/27/762159527.db2.gz NSQYXXMFXDDKOP-RCCFBDPRSA-N 2 1 351.579 3.370 20 0 FGADMP CCCC[C@H](CC)CNC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000919719310 758466295 /nfs/dbraw/zinc/46/62/95/758466295.db2.gz YUYRPIXVVMMWGA-INIZCTEOSA-N 2 1 363.575 3.336 20 0 FGADMP CCc1[nH]nc(Cl)c1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000921670429 758768518 /nfs/dbraw/zinc/76/85/18/758768518.db2.gz FRQBKEXFKLYZBY-UHFFFAOYSA-N 2 1 350.894 3.246 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CCCC2)CC1 ZINC000921716561 758777823 /nfs/dbraw/zinc/77/78/23/758777823.db2.gz XSCWKJJRRBLTTQ-GBESFXJTSA-N 2 1 350.547 3.205 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(Br)c1)C2 ZINC000922390075 758910228 /nfs/dbraw/zinc/91/02/28/758910228.db2.gz XEKMQWTZGUCNLP-ZJPYXAASSA-N 2 1 367.331 3.018 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)s1)C2 ZINC000922388174 758910268 /nfs/dbraw/zinc/91/02/68/758910268.db2.gz CMNHMBNXFCFXBV-VDERGJSUSA-N 2 1 362.461 3.336 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccsc1Br)C2 ZINC000922390429 758911377 /nfs/dbraw/zinc/91/13/77/758911377.db2.gz MNIMXBDREDRJJG-KQTLUZQSSA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391712 758911451 /nfs/dbraw/zinc/91/14/51/758911451.db2.gz GKSNOFGDSQRPMC-WOCWXWTJSA-N 2 1 365.587 3.400 20 0 FGADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@H]1C(C)C ZINC000922394678 758913586 /nfs/dbraw/zinc/91/35/86/758913586.db2.gz RCDLODIPIWTJMF-MUIFIZLQSA-N 2 1 371.319 3.002 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3occc3Br)C2)[C@H]1C(C)C ZINC000922394678 758913588 /nfs/dbraw/zinc/91/35/88/758913588.db2.gz RCDLODIPIWTJMF-MUIFIZLQSA-N 2 1 371.319 3.002 20 0 FGADMP Cc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)sc1C(C)(C)C ZINC000923430615 759117157 /nfs/dbraw/zinc/11/71/57/759117157.db2.gz IHJYGCOWAVKRTH-CALCHBBNSA-N 2 1 362.587 3.150 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c1 ZINC000923499504 759132471 /nfs/dbraw/zinc/13/24/71/759132471.db2.gz RQXMHXHEACRJGW-XJKSGUPXSA-N 2 1 359.495 3.013 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923508091 759135479 /nfs/dbraw/zinc/13/54/79/759135479.db2.gz UDPXXYFCSARLJJ-AEFFLSMTSA-N 2 1 364.555 3.253 20 0 FGADMP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2cccc(NS(C)(=O)=O)c2)CC1 ZINC000924845651 759403629 /nfs/dbraw/zinc/40/36/29/759403629.db2.gz GFNLIEIZICJDEA-MRXNPFEDSA-N 2 1 367.559 3.219 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cs1 ZINC000925573956 759507124 /nfs/dbraw/zinc/50/71/24/759507124.db2.gz QTVKYGCRFGHCPE-IRXDYDNUSA-N 3 1 364.603 3.413 20 0 FGADMP C[N@H+]1CC[C@H](CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629980 759514956 /nfs/dbraw/zinc/51/49/56/759514956.db2.gz OROLMPQRIGRQHK-OZLUZYOVSA-N 2 1 363.908 3.058 20 0 FGADMP CN1CC[C@H](C[NH2+][C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)[C@H]1c1ccc(Cl)c(F)c1 ZINC000925629980 759514961 /nfs/dbraw/zinc/51/49/61/759514961.db2.gz OROLMPQRIGRQHK-OZLUZYOVSA-N 2 1 363.908 3.058 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC(C)(C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000925742180 759528189 /nfs/dbraw/zinc/52/81/89/759528189.db2.gz QAPNPMUBDVHNRV-IBGZPJMESA-N 2 1 360.523 3.205 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3nccc4Cl)cc2)C1 ZINC000926688624 759802623 /nfs/dbraw/zinc/80/26/23/759802623.db2.gz GCSMPQZPONHGPR-VQIMIIECSA-N 2 1 357.885 3.079 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@H](C)C1 ZINC000926910227 759844923 /nfs/dbraw/zinc/84/49/23/759844923.db2.gz JNSJEPRADFUXSZ-LTIDMASMSA-N 2 1 366.468 3.213 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602484 760653587 /nfs/dbraw/zinc/65/35/87/760653587.db2.gz UKUOEXRHLZHBMT-UWVAXJGDSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602484 760653591 /nfs/dbraw/zinc/65/35/91/760653591.db2.gz UKUOEXRHLZHBMT-UWVAXJGDSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C2 ZINC000930602484 760653594 /nfs/dbraw/zinc/65/35/94/760653594.db2.gz UKUOEXRHLZHBMT-UWVAXJGDSA-N 2 1 351.535 3.098 20 0 FGADMP C[NH+]1C[C@]2(C)C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)C[C@@]2(C)C1 ZINC000931310708 760825556 /nfs/dbraw/zinc/82/55/56/760825556.db2.gz MFWUYXDLUBERAR-RTBURBONSA-N 2 1 360.889 3.206 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)Cc2csc(C)c2)CC[N@H+]1C ZINC000960643194 762736224 /nfs/dbraw/zinc/73/62/24/762736224.db2.gz KUWSWJBATJWWNB-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@H+](C)Cc2csc(C)c2)CC[NH+]1C ZINC000960643194 762736230 /nfs/dbraw/zinc/73/62/30/762736230.db2.gz KUWSWJBATJWWNB-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[N@@H+](C)Cc2csc(C)c2)CC[NH+]1C ZINC000960643194 762736236 /nfs/dbraw/zinc/73/62/36/762736236.db2.gz KUWSWJBATJWWNB-GBESFXJTSA-N 2 1 363.571 3.210 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC000971566434 762913614 /nfs/dbraw/zinc/91/36/14/762913614.db2.gz FLAQXGACUZQMFG-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC000971566434 762913617 /nfs/dbraw/zinc/91/36/17/762913617.db2.gz FLAQXGACUZQMFG-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC000971566434 762913620 /nfs/dbraw/zinc/91/36/20/762913620.db2.gz FLAQXGACUZQMFG-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3Cl)C2)CC[NH+]1C ZINC000971566434 762913623 /nfs/dbraw/zinc/91/36/23/762913623.db2.gz FLAQXGACUZQMFG-ZIFCJYIRSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193704 763462940 /nfs/dbraw/zinc/46/29/40/763462940.db2.gz FTQDYQJQBVAEGV-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981193704 763462949 /nfs/dbraw/zinc/46/29/49/763462949.db2.gz FTQDYQJQBVAEGV-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981193704 763462955 /nfs/dbraw/zinc/46/29/55/763462955.db2.gz FTQDYQJQBVAEGV-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@H](c1cccc(Cl)c1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981193704 763462963 /nfs/dbraw/zinc/46/29/63/763462963.db2.gz FTQDYQJQBVAEGV-GPMSIDNRSA-N 2 1 363.933 3.276 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000983712897 763663666 /nfs/dbraw/zinc/66/36/66/763663666.db2.gz DYPJPCQREATCLS-RZLSGREXSA-N 2 1 369.962 3.116 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([NH+](C)Cc3ccccc3Cl)CC2)CC[N@H+]1C ZINC000985442681 763931299 /nfs/dbraw/zinc/93/12/99/763931299.db2.gz QIGVOXKZRJCCRE-CRAIPNDOSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@H+](C)Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC000985442681 763931300 /nfs/dbraw/zinc/93/13/00/763931300.db2.gz QIGVOXKZRJCCRE-CRAIPNDOSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([N@@H+](C)Cc3ccccc3Cl)CC2)CC[NH+]1C ZINC000985442681 763931301 /nfs/dbraw/zinc/93/13/01/763931301.db2.gz QIGVOXKZRJCCRE-CRAIPNDOSA-N 2 1 363.933 3.103 20 0 FGADMP Cc1cc(C[NH+]2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790133 764563129 /nfs/dbraw/zinc/56/31/29/764563129.db2.gz KOTYBROTKRPOLF-LBKNJMOBSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790133 764563137 /nfs/dbraw/zinc/56/31/37/764563137.db2.gz KOTYBROTKRPOLF-LBKNJMOBSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@H]23)cs1 ZINC000990790133 764563142 /nfs/dbraw/zinc/56/31/42/764563142.db2.gz KOTYBROTKRPOLF-LBKNJMOBSA-N 2 1 361.555 3.010 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000999208098 765147514 /nfs/dbraw/zinc/14/75/14/765147514.db2.gz LSITWHGTRQPWKL-GBESFXJTSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@H+]1C ZINC001022103029 765973168 /nfs/dbraw/zinc/97/31/68/765973168.db2.gz DDCKRTOVFPBZST-BQDHKBFISA-N 2 1 370.324 3.070 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2csc(C)c2)CC[N@H+]1C ZINC001024448555 766054514 /nfs/dbraw/zinc/05/45/14/766054514.db2.gz QLJHJQXJNNPHKX-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2csc(C)c2)CC[NH+]1C ZINC001024448555 766054529 /nfs/dbraw/zinc/05/45/29/766054529.db2.gz QLJHJQXJNNPHKX-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2csc(C)c2)CC[NH+]1C ZINC001024448555 766054536 /nfs/dbraw/zinc/05/45/36/766054536.db2.gz QLJHJQXJNNPHKX-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cc(C[NH2+][C@@H](C)C2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC001029100579 766141903 /nfs/dbraw/zinc/14/19/03/766141903.db2.gz CMMOIAXAONRSBD-FRQCXROJSA-N 2 1 363.571 3.113 20 0 FGADMP O=C([C@H](c1ccccc1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)N1CCCCC1 ZINC000265508192 257372524 /nfs/dbraw/zinc/37/25/24/257372524.db2.gz QRAOSTUGPBGFGO-IBGZPJMESA-N 2 1 352.482 3.343 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(I)c2)CCN1C ZINC000551803020 505311823 /nfs/dbraw/zinc/31/18/23/505311823.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H](N(C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803020 505311829 /nfs/dbraw/zinc/31/18/29/505311829.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H](N(C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803020 505311834 /nfs/dbraw/zinc/31/18/34/505311834.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(I)c2)CC[N@@H+]1C ZINC000551803020 505311837 /nfs/dbraw/zinc/31/18/37/505311837.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)Cc2cccc(I)c2)CC[N@H+]1C ZINC000551803020 505311844 /nfs/dbraw/zinc/31/18/44/505311844.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803020 505311850 /nfs/dbraw/zinc/31/18/50/505311850.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cccc(I)c2)CC[NH+]1C ZINC000551803020 505311855 /nfs/dbraw/zinc/31/18/55/505311855.db2.gz DEPXWZGIGYNDAC-IUODEOHRSA-N 2 1 358.267 3.206 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccc(C(F)(F)F)n4)cc3)C[C@H]21 ZINC000573608393 505577189 /nfs/dbraw/zinc/57/71/89/505577189.db2.gz OUDVVAHTTGPXKA-USXIJHARSA-N 2 1 364.415 3.450 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000576714719 505577673 /nfs/dbraw/zinc/57/76/73/505577673.db2.gz GPWZJVCGKFROBW-NRFANRHFSA-N 2 1 365.521 3.043 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000570814230 505587006 /nfs/dbraw/zinc/58/70/06/505587006.db2.gz NRVHBFBEGLVYBL-GOSISDBHSA-N 2 1 351.922 3.181 20 0 FGADMP CC[N@@H+](CCOCC[NH3+])[C@H]1CCSc2ccc(Br)cc21 ZINC000579714802 505607432 /nfs/dbraw/zinc/60/74/32/505607432.db2.gz YNHWBYZMYWSDLZ-AWEZNQCLSA-N 2 1 359.333 3.283 20 0 FGADMP C[C@H]([NH2+]CCNC(=O)CC1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000576882967 505616184 /nfs/dbraw/zinc/61/61/84/505616184.db2.gz OSQUGVOWUYMOMD-RXVVDRJESA-N 2 1 357.542 3.183 20 0 FGADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000573902647 505647511 /nfs/dbraw/zinc/64/75/11/505647511.db2.gz KJVFPBVMQZDQBC-FNHZYXHNSA-N 2 1 355.448 3.313 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3cc(F)cc(F)c3)C2)CC1 ZINC000580035807 505666894 /nfs/dbraw/zinc/66/68/94/505666894.db2.gz MSAMOSRZQBIFAG-UZLBHIALSA-N 2 1 351.485 3.169 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000047976708 493768294 /nfs/dbraw/zinc/76/82/94/493768294.db2.gz WJFCVDHWDMUXOJ-UHFFFAOYSA-N 2 1 358.486 3.299 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000068366728 493804868 /nfs/dbraw/zinc/80/48/68/493804868.db2.gz OVSLDMGQBGMQHB-QFIPXVFZSA-N 2 1 363.505 3.287 20 0 FGADMP C[C@@H](C(=O)NC1CCCC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057843824 493807054 /nfs/dbraw/zinc/80/70/54/493807054.db2.gz JDKVCCXGOMFOAR-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096463 493830749 /nfs/dbraw/zinc/83/07/49/493830749.db2.gz MATSMJFRNRXIBD-NQIIRXRSSA-N 2 1 357.542 3.475 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096463 493830752 /nfs/dbraw/zinc/83/07/52/493830752.db2.gz MATSMJFRNRXIBD-NQIIRXRSSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096463 493830755 /nfs/dbraw/zinc/83/07/55/493830755.db2.gz MATSMJFRNRXIBD-NQIIRXRSSA-N 2 1 357.542 3.475 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)N3CCCCC3)c2)[C@H](C)C1 ZINC000081096463 493830758 /nfs/dbraw/zinc/83/07/58/493830758.db2.gz MATSMJFRNRXIBD-NQIIRXRSSA-N 2 1 357.542 3.475 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccs1 ZINC000050024735 493891978 /nfs/dbraw/zinc/89/19/78/493891978.db2.gz OLHHYIKIGXDILU-MOPGFXCFSA-N 2 1 371.550 3.379 20 0 FGADMP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000051123717 493949461 /nfs/dbraw/zinc/94/94/61/493949461.db2.gz LJNPXEJITXVBFW-UHFFFAOYSA-N 2 1 369.484 3.038 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)Cc1ccccc1 ZINC000051123717 493949468 /nfs/dbraw/zinc/94/94/68/493949468.db2.gz LJNPXEJITXVBFW-UHFFFAOYSA-N 2 1 369.484 3.038 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000051125107 493950481 /nfs/dbraw/zinc/95/04/81/493950481.db2.gz NIAVTIDUUSRSCJ-OAQYLSRUSA-N 2 1 357.542 3.340 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000081943437 493971420 /nfs/dbraw/zinc/97/14/20/493971420.db2.gz VGZWFLAJFQQCBX-TZIWHRDSSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000081943437 493971422 /nfs/dbraw/zinc/97/14/22/493971422.db2.gz VGZWFLAJFQQCBX-TZIWHRDSSA-N 2 1 373.516 3.125 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)C2CC2)C2CC2)CC1 ZINC000051881709 493991714 /nfs/dbraw/zinc/99/17/14/493991714.db2.gz UVALZMXQRZXKJY-SFHVURJKSA-N 2 1 369.553 3.339 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[N@@H+](C)C3CC3)c2c1C ZINC000063248193 494034992 /nfs/dbraw/zinc/03/49/92/494034992.db2.gz CWSJHIAOGZFMDG-UHFFFAOYSA-N 2 1 359.543 3.410 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCC[N@H+](C)C3CC3)c2c1C ZINC000063248193 494034996 /nfs/dbraw/zinc/03/49/96/494034996.db2.gz CWSJHIAOGZFMDG-UHFFFAOYSA-N 2 1 359.543 3.410 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)CC2CCCC2)CC1 ZINC000064021640 494102371 /nfs/dbraw/zinc/10/23/71/494102371.db2.gz UPHUPSQSTXHSJG-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)CC2CCCC2)CC1 ZINC000064021640 494102376 /nfs/dbraw/zinc/10/23/76/494102376.db2.gz UPHUPSQSTXHSJG-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)CC2CCCC2)CC1 ZINC000064021640 494102379 /nfs/dbraw/zinc/10/23/79/494102379.db2.gz UPHUPSQSTXHSJG-UHFFFAOYSA-N 2 1 357.542 3.151 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085359346 494116656 /nfs/dbraw/zinc/11/66/56/494116656.db2.gz NJAJFJBTAIKBEJ-QGZVFWFLSA-N 2 1 362.562 3.302 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000077809943 494184114 /nfs/dbraw/zinc/18/41/14/494184114.db2.gz PEOTZEWYCMBDSM-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000065441847 494197443 /nfs/dbraw/zinc/19/74/43/494197443.db2.gz BCQUVUQCIAJEHN-FQEVSTJZSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000065522123 494209314 /nfs/dbraw/zinc/20/93/14/494209314.db2.gz ORFSNDJFSIKGQF-AZUAARDMSA-N 2 1 372.557 3.386 20 0 FGADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000042298365 494213818 /nfs/dbraw/zinc/21/38/18/494213818.db2.gz MSUPDKNERIDCDK-UHFFFAOYSA-N 2 1 357.542 3.159 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000042298365 494213822 /nfs/dbraw/zinc/21/38/22/494213822.db2.gz MSUPDKNERIDCDK-UHFFFAOYSA-N 2 1 357.542 3.159 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccccc2)C2CCCCC2)CC1 ZINC000054338645 494222094 /nfs/dbraw/zinc/22/20/94/494222094.db2.gz CFXNDIZRAIRBHE-UHFFFAOYSA-N 2 1 357.542 3.422 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000073050638 494313629 /nfs/dbraw/zinc/31/36/29/494313629.db2.gz RCUASYGBVDOSFD-ZIFCJYIRSA-N 2 1 372.557 3.089 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)CC(C)C ZINC000073596680 494396176 /nfs/dbraw/zinc/39/61/76/494396176.db2.gz UWQRYGPRUVYNAE-IPQPSQTFSA-N 2 1 352.567 3.057 20 0 FGADMP CCc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090522727 494478224 /nfs/dbraw/zinc/47/82/24/494478224.db2.gz NHQUTAGPMZUQAA-JQFCIGGWSA-N 2 1 351.560 3.432 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000074319598 494518436 /nfs/dbraw/zinc/51/84/36/494518436.db2.gz DWWHRPDWTNTCFU-QGZVFWFLSA-N 2 1 361.530 3.466 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(Oc2ccccc2)cc1 ZINC000580304467 505728335 /nfs/dbraw/zinc/72/83/35/505728335.db2.gz HVGYRLQCNAHKMW-SFHVURJKSA-N 2 1 367.449 3.013 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000080056158 494578009 /nfs/dbraw/zinc/57/80/09/494578009.db2.gz LNNJMSQVJDOQIO-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000074710314 494578903 /nfs/dbraw/zinc/57/89/03/494578903.db2.gz PDWXLPOBHIDJKJ-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP Cc1ccc(C)c([C@@H](C)[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000131375693 494599484 /nfs/dbraw/zinc/59/94/84/494599484.db2.gz DEGOHAJDBIMFLV-GOSISDBHSA-N 2 1 353.514 3.038 20 0 FGADMP Cc1ccc(C)c([C@@H](C)[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c1 ZINC000131375693 494599491 /nfs/dbraw/zinc/59/94/91/494599491.db2.gz DEGOHAJDBIMFLV-GOSISDBHSA-N 2 1 353.514 3.038 20 0 FGADMP Cc1cc(C)cc(C2=CC[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000092427210 494624530 /nfs/dbraw/zinc/62/45/30/494624530.db2.gz ZHQSXPCVAUTCNZ-UHFFFAOYSA-N 2 1 367.537 3.136 20 0 FGADMP Cc1cc(C)cc(C2=CC[N@@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000092427210 494624535 /nfs/dbraw/zinc/62/45/35/494624535.db2.gz ZHQSXPCVAUTCNZ-UHFFFAOYSA-N 2 1 367.537 3.136 20 0 FGADMP C[C@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000057042331 494627977 /nfs/dbraw/zinc/62/79/77/494627977.db2.gz KXYHZDAMDMVNGT-HXUWFJFHSA-N 2 1 372.557 3.026 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057169606 494665886 /nfs/dbraw/zinc/66/58/86/494665886.db2.gz OLPYDPQKEGFOGG-JOCHJYFZSA-N 2 1 365.521 3.277 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000092587801 494680247 /nfs/dbraw/zinc/68/02/47/494680247.db2.gz UWHNXLAQZJNMGI-NRFANRHFSA-N 2 1 371.569 3.467 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccccc3N3CCOCC3)C2)CC1 ZINC000092587801 494680252 /nfs/dbraw/zinc/68/02/52/494680252.db2.gz UWHNXLAQZJNMGI-NRFANRHFSA-N 2 1 371.569 3.467 20 0 FGADMP CC[NH+]1CCC(NC(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000121308921 494693023 /nfs/dbraw/zinc/69/30/23/494693023.db2.gz AHKVQLVRRXBUQH-HNNXBMFYSA-N 2 1 355.486 3.025 20 0 FGADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000108420673 494702782 /nfs/dbraw/zinc/70/27/82/494702782.db2.gz RDKSOVUKPBNLDL-GOSISDBHSA-N 2 1 357.523 3.044 20 0 FGADMP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080610604 494743855 /nfs/dbraw/zinc/74/38/55/494743855.db2.gz BLUWDRXZEXYDIV-IEBWSBKVSA-N 2 1 359.539 3.048 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cc1ccccc1 ZINC000092821068 494762805 /nfs/dbraw/zinc/76/28/05/494762805.db2.gz UMXMHIATFIYVJB-JOCHJYFZSA-N 2 1 353.510 3.224 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC[S@@](=O)c1ccccc1 ZINC000092821164 494762956 /nfs/dbraw/zinc/76/29/56/494762956.db2.gz VEZQAWFZRNHYLF-SANMLTNESA-N 2 1 371.550 3.428 20 0 FGADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821537 494763797 /nfs/dbraw/zinc/76/37/97/494763797.db2.gz PEBIVABXTLVNPP-RTBURBONSA-N 2 1 372.557 3.409 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C[C@H](C)O1 ZINC000131920390 494773874 /nfs/dbraw/zinc/77/38/74/494773874.db2.gz WMGGCUVLNPSRQV-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nc4ccccc4[nH]3)CC2)C[C@H](C)O1 ZINC000131920390 494773877 /nfs/dbraw/zinc/77/38/77/494773877.db2.gz WMGGCUVLNPSRQV-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000080717900 494776253 /nfs/dbraw/zinc/77/62/53/494776253.db2.gz VCMJDXYYZZWTLB-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)CC2)cc1 ZINC000121580505 494810096 /nfs/dbraw/zinc/81/00/96/494810096.db2.gz XTHBEXDPWZWCIL-HBMCJLEFSA-N 2 1 358.501 3.380 20 0 FGADMP C[NH+](C)CCC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000121635042 494826428 /nfs/dbraw/zinc/82/64/28/494826428.db2.gz SCHPHTTVCQXGBJ-IBGZPJMESA-N 2 1 363.933 3.499 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCCCCC[NH+](C)C)CC1 ZINC000126764970 494833991 /nfs/dbraw/zinc/83/39/91/494833991.db2.gz ABQZPJMVPNUIPW-GOSISDBHSA-N 2 1 352.567 3.157 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000093147739 494835125 /nfs/dbraw/zinc/83/51/25/494835125.db2.gz UAJZJUSRYDINDY-JOCHJYFZSA-N 2 1 364.537 3.351 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc(-c3ccccn3)c2)CC1 ZINC000093147739 494835129 /nfs/dbraw/zinc/83/51/29/494835129.db2.gz UAJZJUSRYDINDY-JOCHJYFZSA-N 2 1 364.537 3.351 20 0 FGADMP CC(=O)Nc1ccccc1C[NH+]1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000121739204 494849078 /nfs/dbraw/zinc/84/90/78/494849078.db2.gz OSRCAPRWCVWCKK-UHFFFAOYSA-N 2 1 367.497 3.189 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)no1 ZINC000093564094 494901393 /nfs/dbraw/zinc/90/13/93/494901393.db2.gz GXAHOZHGEJRBOR-IBGZPJMESA-N 2 1 370.497 3.407 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@H]([NH+]4CCCC4)CC3)cc2)no1 ZINC000093564094 494901395 /nfs/dbraw/zinc/90/13/95/494901395.db2.gz GXAHOZHGEJRBOR-IBGZPJMESA-N 2 1 370.497 3.407 20 0 FGADMP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122051725 494916370 /nfs/dbraw/zinc/91/63/70/494916370.db2.gz LFQCWQVZMYVINS-CVEARBPZSA-N 2 1 357.502 3.271 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000122051725 494916376 /nfs/dbraw/zinc/91/63/76/494916376.db2.gz LFQCWQVZMYVINS-CVEARBPZSA-N 2 1 357.502 3.271 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc3ccccc3n2C)CC1 ZINC000122083360 494921372 /nfs/dbraw/zinc/92/13/72/494921372.db2.gz FCMFFZVGIIUQDH-UHFFFAOYSA-N 2 1 358.530 3.144 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320327 494927763 /nfs/dbraw/zinc/92/77/63/494927763.db2.gz YBIBVMULILUGHW-GOSISDBHSA-N 2 1 364.921 3.364 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320327 494927765 /nfs/dbraw/zinc/92/77/65/494927765.db2.gz YBIBVMULILUGHW-GOSISDBHSA-N 2 1 364.921 3.364 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320327 494927767 /nfs/dbraw/zinc/92/77/67/494927767.db2.gz YBIBVMULILUGHW-GOSISDBHSA-N 2 1 364.921 3.364 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000127320327 494927768 /nfs/dbraw/zinc/92/77/68/494927768.db2.gz YBIBVMULILUGHW-GOSISDBHSA-N 2 1 364.921 3.364 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000132931648 494945207 /nfs/dbraw/zinc/94/52/07/494945207.db2.gz RFTTZVMCWSLNLX-NVXWUHKLSA-N 2 1 371.447 3.304 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000122570128 494996738 /nfs/dbraw/zinc/99/67/38/494996738.db2.gz WDOLHCQNHJMTIR-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000122570128 494996744 /nfs/dbraw/zinc/99/67/44/494996744.db2.gz WDOLHCQNHJMTIR-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000122570128 494996750 /nfs/dbraw/zinc/99/67/50/494996750.db2.gz WDOLHCQNHJMTIR-TZIWHRDSSA-N 2 1 374.573 3.174 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742979 495005663 /nfs/dbraw/zinc/00/56/63/495005663.db2.gz YBKMQKMFLDKFJZ-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742979 495005667 /nfs/dbraw/zinc/00/56/67/495005667.db2.gz YBKMQKMFLDKFJZ-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742979 495005669 /nfs/dbraw/zinc/00/56/69/495005669.db2.gz YBKMQKMFLDKFJZ-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000110742979 495005672 /nfs/dbraw/zinc/00/56/72/495005672.db2.gz YBKMQKMFLDKFJZ-YADHBBJMSA-N 2 1 365.521 3.460 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000580417620 505755272 /nfs/dbraw/zinc/75/52/72/505755272.db2.gz RZGLYEMDWXSXGM-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000580417620 505755275 /nfs/dbraw/zinc/75/52/75/505755275.db2.gz RZGLYEMDWXSXGM-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000580417620 505755278 /nfs/dbraw/zinc/75/52/78/505755278.db2.gz RZGLYEMDWXSXGM-BJLQDIEVSA-N 2 1 360.546 3.242 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000110871159 495015595 /nfs/dbraw/zinc/01/55/95/495015595.db2.gz ZFEHAPGUZXQZIH-OAQYLSRUSA-N 2 1 353.510 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000110871159 495015599 /nfs/dbraw/zinc/01/55/99/495015599.db2.gz ZFEHAPGUZXQZIH-OAQYLSRUSA-N 2 1 353.510 3.446 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000133636201 495039841 /nfs/dbraw/zinc/03/98/41/495039841.db2.gz LQTSLOHQIDDANZ-TYNCELHUSA-N 2 1 371.319 3.285 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(Br)c1OC ZINC000133636201 495039846 /nfs/dbraw/zinc/03/98/46/495039846.db2.gz LQTSLOHQIDDANZ-TYNCELHUSA-N 2 1 371.319 3.285 20 0 FGADMP COCC[N@@H+](C)CCCNCc1cc2ccccc2nc1N1CCCCC1 ZINC000101592029 495082967 /nfs/dbraw/zinc/08/29/67/495082967.db2.gz WYWVJYAWXMUIBW-UHFFFAOYSA-N 2 1 370.541 3.283 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000101592029 495082975 /nfs/dbraw/zinc/08/29/75/495082975.db2.gz WYWVJYAWXMUIBW-UHFFFAOYSA-N 2 1 370.541 3.283 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111847995 495119947 /nfs/dbraw/zinc/11/99/47/495119947.db2.gz UEBKBVWOZNSIMC-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111847997 495120081 /nfs/dbraw/zinc/12/00/81/495120081.db2.gz UEBKBVWOZNSIMC-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3nc4ccc(F)cc4o3)CC2)nc(C)[nH+]1 ZINC000119315677 495140113 /nfs/dbraw/zinc/14/01/13/495140113.db2.gz GJKVAEOWFZRHJC-UHFFFAOYSA-N 2 1 369.444 3.475 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3nc4ccc(F)cc4o3)CC2)nc(C)[nH+]1 ZINC000119315677 495140116 /nfs/dbraw/zinc/14/01/16/495140116.db2.gz GJKVAEOWFZRHJC-UHFFFAOYSA-N 2 1 369.444 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN1Cc1ccccc1 ZINC000119551118 495189097 /nfs/dbraw/zinc/18/90/97/495189097.db2.gz PNSYHDIKQAWAEG-IRLDBZIGSA-N 2 1 371.569 3.274 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000123885607 495201956 /nfs/dbraw/zinc/20/19/56/495201956.db2.gz DWSTYZSRGIAHLU-SFHVURJKSA-N 2 1 360.546 3.233 20 0 FGADMP O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229528 495206336 /nfs/dbraw/zinc/20/63/36/495206336.db2.gz BUSBRMLSGXLTSA-RTBURBONSA-N 2 1 366.571 3.214 20 0 FGADMP O[C@@H](COCc1cccs1)C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103229528 495206339 /nfs/dbraw/zinc/20/63/39/495206339.db2.gz BUSBRMLSGXLTSA-RTBURBONSA-N 2 1 366.571 3.214 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577647427 505770069 /nfs/dbraw/zinc/77/00/69/505770069.db2.gz NUFVKICSYQTQBW-XMSQKQJNSA-N 2 1 365.521 3.184 20 0 FGADMP C[C@@H](Cc1ccccc1)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577681822 505774068 /nfs/dbraw/zinc/77/40/68/505774068.db2.gz CREFKOSKOWGYAQ-PCCBWWKXSA-N 2 1 374.569 3.455 20 0 FGADMP C[C@@H](Cc1ccccc1)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000577681822 505774073 /nfs/dbraw/zinc/77/40/73/505774073.db2.gz CREFKOSKOWGYAQ-PCCBWWKXSA-N 2 1 374.569 3.455 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000113552749 495313910 /nfs/dbraw/zinc/31/39/10/495313910.db2.gz GYOHWGRQFIBPCF-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NCCCCn2cc[nH+]c2C)cc1)C1CC1 ZINC000129929872 495315275 /nfs/dbraw/zinc/31/52/75/495315275.db2.gz NSLCMHFTNWFRJZ-UHFFFAOYSA-N 2 1 354.498 3.386 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCCCCn2cc[nH+]c2C)cc1)C1CC1 ZINC000129929872 495315281 /nfs/dbraw/zinc/31/52/81/495315281.db2.gz NSLCMHFTNWFRJZ-UHFFFAOYSA-N 2 1 354.498 3.386 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000105113304 495337825 /nfs/dbraw/zinc/33/78/25/495337825.db2.gz KADRFQKNWLKDDA-RXVVDRJESA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000114016657 495344250 /nfs/dbraw/zinc/34/42/50/495344250.db2.gz QWPONJCDNGIKOA-MOPGFXCFSA-N 2 1 364.578 3.155 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)c1 ZINC000105207321 495345137 /nfs/dbraw/zinc/34/51/37/495345137.db2.gz AEJASLMXYHBIKS-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000105207321 495345142 /nfs/dbraw/zinc/34/51/42/495345142.db2.gz AEJASLMXYHBIKS-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000105207321 495345147 /nfs/dbraw/zinc/34/51/47/495345147.db2.gz AEJASLMXYHBIKS-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000105207403 495345677 /nfs/dbraw/zinc/34/56/77/495345677.db2.gz SSWQCSMOLJCZGY-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000120310161 495349680 /nfs/dbraw/zinc/34/96/80/495349680.db2.gz CKOJVFYYOMUIFO-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000574450901 505776507 /nfs/dbraw/zinc/77/65/07/505776507.db2.gz XLIJFFJEYBOTLA-UGESXGAOSA-N 2 1 371.569 3.429 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CN(C)[C@@H]2CCSC2)cc1 ZINC000136375468 495376015 /nfs/dbraw/zinc/37/60/15/495376015.db2.gz MYCHERVNNKNDSE-QFBILLFUSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1 ZINC000136375468 495376016 /nfs/dbraw/zinc/37/60/16/495376016.db2.gz MYCHERVNNKNDSE-QFBILLFUSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH+](C)[C@@H]2CCSC2)cc1 ZINC000136375468 495376017 /nfs/dbraw/zinc/37/60/17/495376017.db2.gz MYCHERVNNKNDSE-QFBILLFUSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@H+](C)[C@@H]2CCSC2)cc1 ZINC000136375468 495376018 /nfs/dbraw/zinc/37/60/18/495376018.db2.gz MYCHERVNNKNDSE-QFBILLFUSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)C[N@@H+](C)[C@@H]2CCSC2)cc1 ZINC000136375468 495376019 /nfs/dbraw/zinc/37/60/19/495376019.db2.gz MYCHERVNNKNDSE-QFBILLFUSA-N 2 1 361.555 3.437 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCOc3cccc(C(C)(C)C)c3)C2)CC1 ZINC000114563003 495392298 /nfs/dbraw/zinc/39/22/98/495392298.db2.gz JRLPLSDSYKTYRU-NRFANRHFSA-N 2 1 373.585 3.465 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2C)cc1)C1CC1 ZINC000130577736 495413350 /nfs/dbraw/zinc/41/33/50/495413350.db2.gz FTHPLIWBXPXZRA-UHFFFAOYSA-N 2 1 354.498 3.338 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCCn2cc[nH+]c2C)cc1)C1CC1 ZINC000130577736 495413354 /nfs/dbraw/zinc/41/33/54/495413354.db2.gz FTHPLIWBXPXZRA-UHFFFAOYSA-N 2 1 354.498 3.338 20 0 FGADMP Cc1nccn1CCC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000130605348 495418351 /nfs/dbraw/zinc/41/83/51/495418351.db2.gz UPLBEGIZUFLCFM-UHFFFAOYSA-N 2 1 369.513 3.061 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(N2CCCC2)cc1C ZINC000130605348 495418358 /nfs/dbraw/zinc/41/83/58/495418358.db2.gz UPLBEGIZUFLCFM-UHFFFAOYSA-N 2 1 369.513 3.061 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000125275110 495418540 /nfs/dbraw/zinc/41/85/40/495418540.db2.gz BRAHTZUWQXPJLO-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000580534187 505780877 /nfs/dbraw/zinc/78/08/77/505780877.db2.gz CIMOYMWSWPNNFP-MOPGFXCFSA-N 2 1 359.445 3.199 20 0 FGADMP C[C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000137482578 495442301 /nfs/dbraw/zinc/44/23/01/495442301.db2.gz DYNRKIAFEIYFLX-UWJYYQICSA-N 2 1 351.494 3.141 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000125462857 495447928 /nfs/dbraw/zinc/44/79/28/495447928.db2.gz LDQJFJXGRKLUQK-GOSISDBHSA-N 2 1 356.518 3.169 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000125462857 495447930 /nfs/dbraw/zinc/44/79/30/495447930.db2.gz LDQJFJXGRKLUQK-GOSISDBHSA-N 2 1 356.518 3.169 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000125555359 495462477 /nfs/dbraw/zinc/46/24/77/495462477.db2.gz OZXXYKPVFIITHN-SFHVURJKSA-N 2 1 361.493 3.318 20 0 FGADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C1 ZINC000125555359 495462481 /nfs/dbraw/zinc/46/24/81/495462481.db2.gz OZXXYKPVFIITHN-SFHVURJKSA-N 2 1 361.493 3.318 20 0 FGADMP O=C(NCCC[N@H+]1CCc2ccccc2C1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000106530578 495463485 /nfs/dbraw/zinc/46/34/85/495463485.db2.gz WTDCYWAWPIYJJR-IBGZPJMESA-N 2 1 367.497 3.095 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791233 495497629 /nfs/dbraw/zinc/49/76/29/495497629.db2.gz DHPMDBHGGYJLCD-LJQANCHMSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791233 495497634 /nfs/dbraw/zinc/49/76/34/495497634.db2.gz DHPMDBHGGYJLCD-LJQANCHMSA-N 2 1 355.526 3.418 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)cc1)C1CC1 ZINC000106791233 495497639 /nfs/dbraw/zinc/49/76/39/495497639.db2.gz DHPMDBHGGYJLCD-LJQANCHMSA-N 2 1 355.526 3.418 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000107074347 495521896 /nfs/dbraw/zinc/52/18/96/495521896.db2.gz MRAVVBCXKPLGIQ-LJQANCHMSA-N 2 1 371.525 3.238 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCOc3cccc4ccccc43)C2)CC1 ZINC000107368143 495525891 /nfs/dbraw/zinc/52/58/91/495525891.db2.gz FCVKUXZONREHDF-OAQYLSRUSA-N 2 1 367.537 3.321 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)Nc2ccccc2O)CC1 ZINC000179449249 495596131 /nfs/dbraw/zinc/59/61/31/495596131.db2.gz IUTSQIWCAWZHCL-UHFFFAOYSA-N 2 1 356.470 3.028 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176331412 495603928 /nfs/dbraw/zinc/60/39/28/495603928.db2.gz LFCPHSMIPQKJJD-GOSISDBHSA-N 2 1 364.578 3.203 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000182588573 495627160 /nfs/dbraw/zinc/62/71/60/495627160.db2.gz PPRKSXJSNIDZRC-MJGOQNOKSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853092 505793581 /nfs/dbraw/zinc/79/35/81/505793581.db2.gz XIBYGXCTMGQMAC-OALUTQOASA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853092 505793585 /nfs/dbraw/zinc/79/35/85/505793585.db2.gz XIBYGXCTMGQMAC-OALUTQOASA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853092 505793590 /nfs/dbraw/zinc/79/35/90/505793590.db2.gz XIBYGXCTMGQMAC-OALUTQOASA-N 2 1 374.550 3.250 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000176391023 495632546 /nfs/dbraw/zinc/63/25/46/495632546.db2.gz REDKWLNAAKNSMC-RTWAWAEBSA-N 2 1 370.541 3.051 20 0 FGADMP CC(C)[C@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC1 ZINC000182616237 495637556 /nfs/dbraw/zinc/63/75/56/495637556.db2.gz FCDLEITZFMUFCL-NSHGMRRFSA-N 2 1 364.578 3.059 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672539 /nfs/dbraw/zinc/67/25/39/495672539.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672543 /nfs/dbraw/zinc/67/25/43/495672543.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 2 1 356.432 3.025 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC[C@@H]21 ZINC000159159566 495672548 /nfs/dbraw/zinc/67/25/48/495672548.db2.gz DUXKXKSJFFIKIG-JQHSSLGASA-N 2 1 356.432 3.025 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cccc(Br)c1 ZINC000159223892 495687652 /nfs/dbraw/zinc/68/76/52/495687652.db2.gz MZFRAIIZXIDHRC-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cccc(Br)c1 ZINC000159223892 495687657 /nfs/dbraw/zinc/68/76/57/495687657.db2.gz MZFRAIIZXIDHRC-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP CC[C@H](C)[N@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179695390 495693275 /nfs/dbraw/zinc/69/32/75/495693275.db2.gz RFBNUIKJTIYWMC-SFHVURJKSA-N 2 1 353.514 3.029 20 0 FGADMP CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179695390 495693278 /nfs/dbraw/zinc/69/32/78/495693278.db2.gz RFBNUIKJTIYWMC-SFHVURJKSA-N 2 1 353.514 3.029 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185738828 495705475 /nfs/dbraw/zinc/70/54/75/495705475.db2.gz QSSDGJXMXBMKHR-SOLBZPMBSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185738828 495705478 /nfs/dbraw/zinc/70/54/78/495705478.db2.gz QSSDGJXMXBMKHR-SOLBZPMBSA-N 2 1 361.505 3.073 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185765380 495717213 /nfs/dbraw/zinc/71/72/13/495717213.db2.gz HYBYRCJHHBGCFW-TXPKVOOTSA-N 2 1 371.525 3.459 20 0 FGADMP CC(=O)c1ccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185765380 495717221 /nfs/dbraw/zinc/71/72/21/495717221.db2.gz HYBYRCJHHBGCFW-TXPKVOOTSA-N 2 1 371.525 3.459 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000176626145 495724781 /nfs/dbraw/zinc/72/47/81/495724781.db2.gz SSOIBJAZDDPKAV-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000176626145 495724788 /nfs/dbraw/zinc/72/47/88/495724788.db2.gz SSOIBJAZDDPKAV-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000176626145 495724794 /nfs/dbraw/zinc/72/47/94/495724794.db2.gz SSOIBJAZDDPKAV-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP O[C@@H](COc1cccc2ccccc21)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868825 495725334 /nfs/dbraw/zinc/72/53/34/495725334.db2.gz YSQGTXQTPRMLCL-TZIWHRDSSA-N 2 1 368.521 3.387 20 0 FGADMP O[C@@H](COc1cccc2ccccc21)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173868825 495725343 /nfs/dbraw/zinc/72/53/43/495725343.db2.gz YSQGTXQTPRMLCL-TZIWHRDSSA-N 2 1 368.521 3.387 20 0 FGADMP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173948924 495759111 /nfs/dbraw/zinc/75/91/11/495759111.db2.gz LSMNWIIAEULAFY-QGZVFWFLSA-N 2 1 370.497 3.374 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173955817 495762534 /nfs/dbraw/zinc/76/25/34/495762534.db2.gz MIHQWGBMJCSCBI-LJQANCHMSA-N 2 1 373.541 3.207 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)c3nccn3C)CC2)cs1 ZINC000182949410 495771012 /nfs/dbraw/zinc/77/10/12/495771012.db2.gz NGMNQWPPXXHNCY-KRWDZBQOSA-N 2 1 361.559 3.392 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000577846773 505803482 /nfs/dbraw/zinc/80/34/82/505803482.db2.gz ZIBWPFOJGITETD-ZMSDIMECSA-N 2 1 351.560 3.271 20 0 FGADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000154998476 495799416 /nfs/dbraw/zinc/79/94/16/495799416.db2.gz NFVSAWDBLQTWPI-HXUWFJFHSA-N 2 1 361.505 3.153 20 0 FGADMP COCc1noc([C@H](C)Nc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)n1 ZINC000183081381 495826675 /nfs/dbraw/zinc/82/66/75/495826675.db2.gz QILDKRKHOYGMEO-HNNXBMFYSA-N 2 1 373.501 3.167 20 0 FGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183134613 495849844 /nfs/dbraw/zinc/84/98/44/495849844.db2.gz QXGPTDTUSTVUDG-BAGYTPMASA-N 2 1 352.526 3.427 20 0 FGADMP Cc1csc(NC(=O)C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000183145976 495853861 /nfs/dbraw/zinc/85/38/61/495853861.db2.gz SLWPUGQAVGVIIC-ZDUSSCGKSA-N 2 1 355.467 3.235 20 0 FGADMP Cc1cc(NC(=O)CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)no1 ZINC000183149288 495855636 /nfs/dbraw/zinc/85/56/36/495855636.db2.gz GTKWPMQITGZBJL-AWEZNQCLSA-N 2 1 353.426 3.157 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1)C1CC1 ZINC000155193011 495869850 /nfs/dbraw/zinc/86/98/50/495869850.db2.gz CCRMSJVREGVPLY-TZIWHRDSSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1)C1CC1 ZINC000155193011 495869857 /nfs/dbraw/zinc/86/98/57/495869857.db2.gz CCRMSJVREGVPLY-TZIWHRDSSA-N 2 1 355.526 3.227 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1)C1CC1 ZINC000155193011 495869862 /nfs/dbraw/zinc/86/98/62/495869862.db2.gz CCRMSJVREGVPLY-TZIWHRDSSA-N 2 1 355.526 3.227 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000571768756 505810618 /nfs/dbraw/zinc/81/06/18/505810618.db2.gz NNUZOZQFEOXFIH-BHDDXSALSA-N 2 1 371.569 3.429 20 0 FGADMP [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000183268857 495908839 /nfs/dbraw/zinc/90/88/39/495908839.db2.gz NMXRCYGFNWIVIW-FQEVSTJZSA-N 2 1 353.466 3.017 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000155556860 495993287 /nfs/dbraw/zinc/99/32/87/495993287.db2.gz HEQZJNUBRJBXDO-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000155698813 496039405 /nfs/dbraw/zinc/03/94/05/496039405.db2.gz OMDIPHUWTOGALT-UHFFFAOYSA-N 2 1 365.521 3.315 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COCc2ccco2)cc1 ZINC000183687962 496080360 /nfs/dbraw/zinc/08/03/60/496080360.db2.gz KCPKGKNIUOXMOT-DNVCBOLYSA-N 2 1 355.438 3.002 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000183690532 496081628 /nfs/dbraw/zinc/08/16/28/496081628.db2.gz ZPDPIIHHCPTAHO-HKUYNNGSSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)c2c[nH+]ccc2N(C)C)CC[N@H+]1Cc1ccccc1 ZINC000183690532 496081632 /nfs/dbraw/zinc/08/16/32/496081632.db2.gz ZPDPIIHHCPTAHO-HKUYNNGSSA-N 2 1 366.509 3.273 20 0 FGADMP C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)C[C@H](C)O1 ZINC000177498133 496087100 /nfs/dbraw/zinc/08/71/00/496087100.db2.gz BACWPHROEIINDX-IYBDPMFKSA-N 2 1 374.485 3.041 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3nnc(-c4ccco4)o3)CC2)C[C@H](C)O1 ZINC000177498133 496087104 /nfs/dbraw/zinc/08/71/04/496087104.db2.gz BACWPHROEIINDX-IYBDPMFKSA-N 2 1 374.485 3.041 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC(=O)Nc3ccccc3)CC2)C[C@H](C)O1 ZINC000177505348 496090122 /nfs/dbraw/zinc/09/01/22/496090122.db2.gz VPRDJXJYONIVOR-KDURUIRLSA-N 2 1 373.541 3.227 20 0 FGADMP CC(=O)Nc1cccc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177510721 496091908 /nfs/dbraw/zinc/09/19/08/496091908.db2.gz AOQSZVQMPKUTKG-HDICACEKSA-N 2 1 373.541 3.356 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)CCc1ccncc1)C1CC[NH+](C)CC1 ZINC000183762112 496108070 /nfs/dbraw/zinc/10/80/70/496108070.db2.gz XHEHWEWWKYWENT-UHFFFAOYSA-N 2 1 352.526 3.287 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)c1cccc(F)c1 ZINC000177600642 496127825 /nfs/dbraw/zinc/12/78/25/496127825.db2.gz DUAQIQZILNMYBO-PXNSSMCTSA-N 2 1 361.505 3.199 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000174881762 496147758 /nfs/dbraw/zinc/14/77/58/496147758.db2.gz LWTQXBNZDXWHDA-SFHVURJKSA-N 2 1 372.944 3.490 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000174881762 496147764 /nfs/dbraw/zinc/14/77/64/496147764.db2.gz LWTQXBNZDXWHDA-SFHVURJKSA-N 2 1 372.944 3.490 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152604815 496199568 /nfs/dbraw/zinc/19/95/68/496199568.db2.gz HHCIVHHJYNDNFI-MOPGFXCFSA-N 2 1 371.550 3.304 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)[NH+](C)C ZINC000152604815 496199573 /nfs/dbraw/zinc/19/95/73/496199573.db2.gz HHCIVHHJYNDNFI-MOPGFXCFSA-N 2 1 371.550 3.304 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000156342902 496220827 /nfs/dbraw/zinc/22/08/27/496220827.db2.gz MDBRNCFVIPOQLH-HXUWFJFHSA-N 2 1 364.578 3.301 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)CC)C1)c1ccsc1 ZINC000177851255 496223547 /nfs/dbraw/zinc/22/35/47/496223547.db2.gz KECHYYFNYGUTMM-AEFFLSMTSA-N 2 1 366.575 3.114 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2csc3ccccc23)CC1 ZINC000172246275 496226418 /nfs/dbraw/zinc/22/64/18/496226418.db2.gz SHRIOEZJZKDLCZ-UHFFFAOYSA-N 2 1 359.539 3.322 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2csc3ccccc23)CC1 ZINC000172246275 496226421 /nfs/dbraw/zinc/22/64/21/496226421.db2.gz SHRIOEZJZKDLCZ-UHFFFAOYSA-N 2 1 359.539 3.322 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000181058105 496255791 /nfs/dbraw/zinc/25/57/91/496255791.db2.gz UBNDLBQMNNXGAO-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000177979760 496274304 /nfs/dbraw/zinc/27/43/04/496274304.db2.gz NOJPVOLDZGJGCE-QGZVFWFLSA-N 2 1 364.497 3.353 20 0 FGADMP Cc1cncc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000184275258 496315249 /nfs/dbraw/zinc/31/52/49/496315249.db2.gz VFRAUEOGADGYNQ-SIKLNZKXSA-N 2 1 352.526 3.419 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172507670 496321685 /nfs/dbraw/zinc/32/16/85/496321685.db2.gz VSCFYCMPPKZBJQ-LJQANCHMSA-N 2 1 374.529 3.076 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CC2 ZINC000162250791 496323475 /nfs/dbraw/zinc/32/34/75/496323475.db2.gz JMGPJBMXSDTVQR-FQEVSTJZSA-N 2 1 352.482 3.348 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000175327887 496340658 /nfs/dbraw/zinc/34/06/58/496340658.db2.gz LTUUREQTPBJLGY-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C(C)C)C2CCC2)CC1 ZINC000172663964 496378917 /nfs/dbraw/zinc/37/89/17/496378917.db2.gz MCGKNEXXRICEQV-UHFFFAOYSA-N 2 1 357.542 3.339 20 0 FGADMP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000162765493 496409768 /nfs/dbraw/zinc/40/97/68/496409768.db2.gz SMLKGKFZYLOLQR-OFNKIYASSA-N 2 1 366.553 3.404 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000162842489 496421597 /nfs/dbraw/zinc/42/15/97/496421597.db2.gz AVSMQNSHGPBMGU-KDURUIRLSA-N 3 1 351.579 3.263 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000181644071 496483853 /nfs/dbraw/zinc/48/38/53/496483853.db2.gz FSZPLQTXARXGGT-PKOBYXMFSA-N 3 1 362.537 3.103 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)CC1 ZINC000181644071 496483857 /nfs/dbraw/zinc/48/38/57/496483857.db2.gz FSZPLQTXARXGGT-PKOBYXMFSA-N 3 1 362.537 3.103 20 0 FGADMP COCc1noc([C@@H](C)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702712 496509380 /nfs/dbraw/zinc/50/93/80/496509380.db2.gz VIMNGRHEUYTZAC-MRXNPFEDSA-N 2 1 358.486 3.121 20 0 FGADMP COCc1noc([C@@H](C)[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702712 496509386 /nfs/dbraw/zinc/50/93/86/496509386.db2.gz VIMNGRHEUYTZAC-MRXNPFEDSA-N 2 1 358.486 3.121 20 0 FGADMP COCc1noc([C@@H](C)[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000181702712 496509390 /nfs/dbraw/zinc/50/93/90/496509390.db2.gz VIMNGRHEUYTZAC-MRXNPFEDSA-N 2 1 358.486 3.121 20 0 FGADMP c1cnn([C@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000157777574 496552826 /nfs/dbraw/zinc/55/28/26/496552826.db2.gz TUYVZAGECDRLKA-SFTDATJTSA-N 2 1 370.545 3.224 20 0 FGADMP COc1ccc(Br)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000178744709 496557101 /nfs/dbraw/zinc/55/71/01/496557101.db2.gz UGMGLIRQQJYXTM-GFCCVEGCSA-N 2 1 352.276 3.389 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000153723618 496559272 /nfs/dbraw/zinc/55/92/72/496559272.db2.gz HTOBUSBXUWOIII-ZDUSSCGKSA-N 2 1 359.308 3.077 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000163816104 496560748 /nfs/dbraw/zinc/56/07/48/496560748.db2.gz LYOYPMLDEKPKHI-LPHOPBHVSA-N 2 1 372.557 3.115 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855633 496571227 /nfs/dbraw/zinc/57/12/27/496571227.db2.gz FVNMYRJWFJZMAX-SJORKVTESA-N 2 1 352.544 3.395 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccccc1F)C1CCN(Cc2ccccc2)CC1 ZINC000178867159 496598605 /nfs/dbraw/zinc/59/86/05/496598605.db2.gz JWGROJSFZGMHBZ-HXUWFJFHSA-N 2 1 372.484 3.162 20 0 FGADMP CN(C[C@@H](O)COc1ccccc1F)C1CC[NH+](Cc2ccccc2)CC1 ZINC000178867159 496598613 /nfs/dbraw/zinc/59/86/13/496598613.db2.gz JWGROJSFZGMHBZ-HXUWFJFHSA-N 2 1 372.484 3.162 20 0 FGADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184976509 496606673 /nfs/dbraw/zinc/60/66/73/496606673.db2.gz KUUZBQZJPCHVFG-QRVBRYPASA-N 2 1 363.571 3.012 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H](C)C1 ZINC000187960003 496631651 /nfs/dbraw/zinc/63/16/51/496631651.db2.gz OZTGZOCRVXKYMN-MOPGFXCFSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000182012507 496634225 /nfs/dbraw/zinc/63/42/25/496634225.db2.gz RJSWWRLNLQFGJW-KXBFYZLASA-N 2 1 359.901 3.410 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000153957159 496635248 /nfs/dbraw/zinc/63/52/48/496635248.db2.gz PAVKXWLUMUETKT-HDICACEKSA-N 2 1 365.562 3.408 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000153957159 496635252 /nfs/dbraw/zinc/63/52/52/496635252.db2.gz PAVKXWLUMUETKT-HDICACEKSA-N 2 1 365.562 3.408 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000164995094 496643616 /nfs/dbraw/zinc/64/36/16/496643616.db2.gz AIEHZAPXDYQZBN-OXQOHEQNSA-N 2 1 355.482 3.030 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@H](C)C1 ZINC000164995094 496643621 /nfs/dbraw/zinc/64/36/21/496643621.db2.gz AIEHZAPXDYQZBN-OXQOHEQNSA-N 2 1 355.482 3.030 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158231654 496656163 /nfs/dbraw/zinc/65/61/63/496656163.db2.gz JVSOLXFYFNBWEB-KGLIPLIRSA-N 2 1 368.319 3.098 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CNC(=O)N(C)CC[N@@H+](C)C2CC2)CC1 ZINC000185124946 496671437 /nfs/dbraw/zinc/67/14/37/496671437.db2.gz ADBRIHLLIFGVED-UHFFFAOYSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507117 496688535 /nfs/dbraw/zinc/68/85/35/496688535.db2.gz VVULJLDURUCGMH-YZGWKJHDSA-N 2 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507117 496688542 /nfs/dbraw/zinc/68/85/42/496688542.db2.gz VVULJLDURUCGMH-YZGWKJHDSA-N 3 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507117 496688544 /nfs/dbraw/zinc/68/85/44/496688544.db2.gz VVULJLDURUCGMH-YZGWKJHDSA-N 3 1 374.548 3.245 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000154133017 496691985 /nfs/dbraw/zinc/69/19/85/496691985.db2.gz JMDOVZGDEJURNL-SJLPKXTDSA-N 2 1 358.448 3.273 20 0 FGADMP [NH3+]CCCCCCC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168949604 496714312 /nfs/dbraw/zinc/71/43/12/496714312.db2.gz SEQJQBMJRRXYGP-QGZVFWFLSA-N 2 1 371.447 3.305 20 0 FGADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000182274123 496724683 /nfs/dbraw/zinc/72/46/83/496724683.db2.gz SQRCCZXJMJQQMV-ZHRRBRCNSA-N 2 1 367.493 3.062 20 0 FGADMP C[N@H+](Cc1cccc2cccnc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317258 496750882 /nfs/dbraw/zinc/75/08/82/496750882.db2.gz LRSCQCDDDHYXRB-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP C[N@@H+](Cc1cccc2cccnc21)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188317258 496750888 /nfs/dbraw/zinc/75/08/88/496750888.db2.gz LRSCQCDDDHYXRB-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP C[NH+](Cc1cccc2cccnc21)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188317258 496750891 /nfs/dbraw/zinc/75/08/91/496750891.db2.gz LRSCQCDDDHYXRB-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP C[NH+](Cc1cccc2cccnc21)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188317258 496750897 /nfs/dbraw/zinc/75/08/97/496750897.db2.gz LRSCQCDDDHYXRB-HSZRJFAPSA-N 2 1 361.489 3.304 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000277383157 496755374 /nfs/dbraw/zinc/75/53/74/496755374.db2.gz YIQXYCQTOWETBU-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccc(OCC)cc1 ZINC000277383157 496755378 /nfs/dbraw/zinc/75/53/78/496755378.db2.gz YIQXYCQTOWETBU-UHFFFAOYSA-N 2 1 358.486 3.195 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)CC2)cc1 ZINC000247026877 496756989 /nfs/dbraw/zinc/75/69/89/496756989.db2.gz NHDIJKSOXAQBRU-NJNPRVFISA-N 3 1 359.558 3.226 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)cc1 ZINC000247026877 496756992 /nfs/dbraw/zinc/75/69/92/496756992.db2.gz NHDIJKSOXAQBRU-NJNPRVFISA-N 2 1 359.558 3.226 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268778391 496782025 /nfs/dbraw/zinc/78/20/25/496782025.db2.gz SHUJMHGTLLFGLW-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268778391 496782031 /nfs/dbraw/zinc/78/20/31/496782031.db2.gz SHUJMHGTLLFGLW-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000268777927 496782935 /nfs/dbraw/zinc/78/29/35/496782935.db2.gz BBBMTLRUHNLBAI-JXFKEZNVSA-N 2 1 352.482 3.154 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1Cl ZINC000247121756 496785394 /nfs/dbraw/zinc/78/53/94/496785394.db2.gz RTNDHMCXMVXSLB-HDMKZQKVSA-N 2 1 366.937 3.115 20 0 FGADMP c1c[nH]c([C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c2cccnc2)n1 ZINC000195000714 496786346 /nfs/dbraw/zinc/78/63/46/496786346.db2.gz BQYIAUIWPHDHSA-OAQYLSRUSA-N 2 1 361.493 3.396 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H](C)C1 ZINC000247183157 496800588 /nfs/dbraw/zinc/80/05/88/496800588.db2.gz ZIZFBDJKWKTNBY-OXJNMPFZSA-N 2 1 352.482 3.154 20 0 FGADMP Cc1ccn2cc(C[NH2+][C@@H](C)c3cccc(OCC[NH+](C)C)c3)nc2c1 ZINC000268855117 496803982 /nfs/dbraw/zinc/80/39/82/496803982.db2.gz IEKZQLSYCUCNHX-KRWDZBQOSA-N 2 1 352.482 3.434 20 0 FGADMP O[C@H](COCc1ccccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247207601 496805969 /nfs/dbraw/zinc/80/59/69/496805969.db2.gz CFXBQUOITLTJAQ-HKUYNNGSSA-N 2 1 366.933 3.025 20 0 FGADMP Cc1noc(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894738 496817212 /nfs/dbraw/zinc/81/72/12/496817212.db2.gz NWZOTWOZSZFCNS-WOJBJXKFSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000268894738 496817215 /nfs/dbraw/zinc/81/72/15/496817215.db2.gz NWZOTWOZSZFCNS-WOJBJXKFSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000268894738 496817221 /nfs/dbraw/zinc/81/72/21/496817221.db2.gz NWZOTWOZSZFCNS-WOJBJXKFSA-N 2 1 354.498 3.297 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000268894738 496817226 /nfs/dbraw/zinc/81/72/26/496817226.db2.gz NWZOTWOZSZFCNS-WOJBJXKFSA-N 2 1 354.498 3.297 20 0 FGADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000268913247 496821740 /nfs/dbraw/zinc/82/17/40/496821740.db2.gz OOUQLKAFVMJYBY-HOTGVXAUSA-N 2 1 361.486 3.212 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247294234 496826490 /nfs/dbraw/zinc/82/64/90/496826490.db2.gz FKONCEPPNUSPAP-IAGOWNOFSA-N 2 1 352.906 3.030 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247294234 496826497 /nfs/dbraw/zinc/82/64/97/496826497.db2.gz FKONCEPPNUSPAP-IAGOWNOFSA-N 2 1 352.906 3.030 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940887 496829433 /nfs/dbraw/zinc/82/94/33/496829433.db2.gz SSDPYNHKWGCNDX-PGRDOPGGSA-N 2 1 361.493 3.268 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4ccccc4[C@@H]3C)CC2)CC1 ZINC000572011516 505869358 /nfs/dbraw/zinc/86/93/58/505869358.db2.gz CXOGFEMVTMAPNQ-SFHVURJKSA-N 2 1 369.553 3.329 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1)C(C)C ZINC000188651727 496866250 /nfs/dbraw/zinc/86/62/50/496866250.db2.gz TVVKQFVZMISXNJ-UHFFFAOYSA-N 2 1 351.494 3.450 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc4c(c3)COC4)CC2)nc(C)[nH+]1 ZINC000269126636 496876920 /nfs/dbraw/zinc/87/69/20/496876920.db2.gz YSWDVEVIWJPTBF-HNNXBMFYSA-N 2 1 352.482 3.443 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000195304806 496881773 /nfs/dbraw/zinc/88/17/73/496881773.db2.gz OEFWODXLAVKJDQ-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000247696121 496907872 /nfs/dbraw/zinc/90/78/72/496907872.db2.gz TYMKZSUMQFQVSL-IUVQAAGXSA-N 2 1 358.461 3.171 20 0 FGADMP C[C@H](NC(=O)[C@H](C)N1CC[C@H](C)[C@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000247696121 496907876 /nfs/dbraw/zinc/90/78/76/496907876.db2.gz TYMKZSUMQFQVSL-IUVQAAGXSA-N 2 1 358.461 3.171 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(OCc3ccncc3)cc2)CCCO1 ZINC000277925435 496938084 /nfs/dbraw/zinc/93/80/84/496938084.db2.gz QEEGRKHEDRZSAG-IBGZPJMESA-N 2 1 369.509 3.251 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@H]1c1ccccc1 ZINC000248074725 496953393 /nfs/dbraw/zinc/95/33/93/496953393.db2.gz QXKCZTLTOSSMTP-PCCBWWKXSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000216525707 496989460 /nfs/dbraw/zinc/98/94/60/496989460.db2.gz MQQDJFAXUOFGKZ-IBGZPJMESA-N 2 1 359.901 3.191 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)Cc1cccc(Cl)c1)c1ccccc1 ZINC000216525707 496989465 /nfs/dbraw/zinc/98/94/65/496989465.db2.gz MQQDJFAXUOFGKZ-IBGZPJMESA-N 2 1 359.901 3.191 20 0 FGADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248391529 496992323 /nfs/dbraw/zinc/99/23/23/496992323.db2.gz CKEXFZUTTFGBBO-YMPZKCBVSA-N 2 1 366.553 3.470 20 0 FGADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)c1cccc(O)c1 ZINC000248399941 496996146 /nfs/dbraw/zinc/99/61/46/496996146.db2.gz PJNGUWXMLLHGMZ-UTKZUKDTSA-N 2 1 369.509 3.194 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)c1cccc(O)c1 ZINC000248399941 496996151 /nfs/dbraw/zinc/99/61/51/496996151.db2.gz PJNGUWXMLLHGMZ-UTKZUKDTSA-N 2 1 369.509 3.194 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400456 496997692 /nfs/dbraw/zinc/99/76/92/496997692.db2.gz KUIQZUSEHQDCFX-DMUMMCEESA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400456 496997697 /nfs/dbraw/zinc/99/76/97/496997697.db2.gz KUIQZUSEHQDCFX-DMUMMCEESA-N 2 1 364.578 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)[C@@H](C)C1 ZINC000248400456 496997701 /nfs/dbraw/zinc/99/77/01/496997701.db2.gz KUIQZUSEHQDCFX-DMUMMCEESA-N 2 1 364.578 3.011 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)c1ccccc1 ZINC000248404506 496998622 /nfs/dbraw/zinc/99/86/22/496998622.db2.gz QEYZKFXXAQITJZ-QFUCXCTJSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)c1ccccc1 ZINC000248404506 496998630 /nfs/dbraw/zinc/99/86/30/496998630.db2.gz QEYZKFXXAQITJZ-QFUCXCTJSA-N 2 1 357.542 3.449 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccccc1 ZINC000248404506 496998635 /nfs/dbraw/zinc/99/86/35/496998635.db2.gz QEYZKFXXAQITJZ-QFUCXCTJSA-N 2 1 357.542 3.449 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078457 497000319 /nfs/dbraw/zinc/00/03/19/497000319.db2.gz ZQDPZEIQAQBPRB-CYBMUJFWSA-N 2 1 359.283 3.241 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078457 497000325 /nfs/dbraw/zinc/00/03/25/497000325.db2.gz ZQDPZEIQAQBPRB-CYBMUJFWSA-N 2 1 359.283 3.241 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078457 497000329 /nfs/dbraw/zinc/00/03/29/497000329.db2.gz ZQDPZEIQAQBPRB-CYBMUJFWSA-N 2 1 359.283 3.241 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cc(F)cc(Br)c2)C1 ZINC000189078457 497000333 /nfs/dbraw/zinc/00/03/33/497000333.db2.gz ZQDPZEIQAQBPRB-CYBMUJFWSA-N 2 1 359.283 3.241 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccc(F)cc32)C1 ZINC000248444532 497014209 /nfs/dbraw/zinc/01/42/09/497014209.db2.gz LZJMDRHEWIJPOT-CTNGQTDRSA-N 2 1 370.468 3.396 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000574911189 505881617 /nfs/dbraw/zinc/88/16/17/505881617.db2.gz MOJJWFMXUVKHNC-DAESXHAQSA-N 2 1 356.489 3.032 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn2c(n1)SCC2 ZINC000274326869 497071468 /nfs/dbraw/zinc/07/14/68/497071468.db2.gz ABRPQMNFCSLGMO-QFBILLFUSA-N 2 1 356.539 3.032 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405021 497103384 /nfs/dbraw/zinc/10/33/84/497103384.db2.gz DUVQTNRGGZBMFN-IRXDYDNUSA-N 2 1 374.529 3.122 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405021 497103391 /nfs/dbraw/zinc/10/33/91/497103391.db2.gz DUVQTNRGGZBMFN-IRXDYDNUSA-N 2 1 374.529 3.122 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000236681535 497132193 /nfs/dbraw/zinc/13/21/93/497132193.db2.gz IVPUEAIWXOAGDM-XMSQKQJNSA-N 2 1 371.569 3.211 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278497994 497134860 /nfs/dbraw/zinc/13/48/60/497134860.db2.gz QFTLVWOSOBOCCH-HLAWJBBLSA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278497994 497134865 /nfs/dbraw/zinc/13/48/65/497134865.db2.gz QFTLVWOSOBOCCH-HLAWJBBLSA-N 2 1 367.541 3.032 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H](C)[C@H]4CO)cc3)nc12 ZINC000249046380 497154711 /nfs/dbraw/zinc/15/47/11/497154711.db2.gz FCUJBJXXFFORFF-HRAATJIYSA-N 2 1 365.477 3.424 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c(cccc3OC)C2)[C@@H](C)C1 ZINC000249059415 497156360 /nfs/dbraw/zinc/15/63/60/497156360.db2.gz PAKILKUYEVJOKF-CUWPLCDZSA-N 2 1 360.542 3.279 20 0 FGADMP CCCC[C@H](NCc1cncn1C)C(=O)Nc1cccc(N2CCCC2)c1 ZINC000236881889 497162456 /nfs/dbraw/zinc/16/24/56/497162456.db2.gz BNHUWCMAAAEVIN-FQEVSTJZSA-N 2 1 369.513 3.307 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)CC1 ZINC000278627392 497172785 /nfs/dbraw/zinc/17/27/85/497172785.db2.gz MHBNFMJSRMLHKJ-UHFFFAOYSA-N 2 1 374.529 3.065 20 0 FGADMP CC[C@@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236960368 497173620 /nfs/dbraw/zinc/17/36/20/497173620.db2.gz DASZNZAOKZFXOC-SFTDATJTSA-N 2 1 351.494 3.030 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249213378 497181542 /nfs/dbraw/zinc/18/15/42/497181542.db2.gz ZAOOYBFBWIMFTH-KAOXLYBCSA-N 2 1 350.506 3.090 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000249388397 497196136 /nfs/dbraw/zinc/19/61/36/497196136.db2.gz RMZOKLFFZADAAG-YPGOJHLTSA-N 2 1 369.553 3.037 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000249388397 497196141 /nfs/dbraw/zinc/19/61/41/497196141.db2.gz RMZOKLFFZADAAG-YPGOJHLTSA-N 2 1 369.553 3.037 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCN(CC(F)(F)F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274935611 497201590 /nfs/dbraw/zinc/20/15/90/497201590.db2.gz RWHOBDMSBZTCOJ-QXAKKESOSA-N 2 1 369.475 3.371 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000192777048 497211000 /nfs/dbraw/zinc/21/10/00/497211000.db2.gz KPYHJKNFEDFBGS-GOSISDBHSA-N 2 1 365.949 3.209 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)c1 ZINC000237293535 497215578 /nfs/dbraw/zinc/21/55/78/497215578.db2.gz WDZYCBMTFNRXKF-IRXDYDNUSA-N 2 1 367.493 3.268 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3c(F)cccc3F)C2)CC1 ZINC000192801472 497218127 /nfs/dbraw/zinc/21/81/27/497218127.db2.gz AMKAUZJQUNLJLN-QGZVFWFLSA-N 2 1 351.485 3.170 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000249749055 497242462 /nfs/dbraw/zinc/24/24/62/497242462.db2.gz PNCKPWKXPNRVMJ-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192920309 497245826 /nfs/dbraw/zinc/24/58/26/497245826.db2.gz VSEIADQUKBPXQW-SFHVURJKSA-N 2 1 370.493 3.324 20 0 FGADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192920309 497245830 /nfs/dbraw/zinc/24/58/30/497245830.db2.gz VSEIADQUKBPXQW-SFHVURJKSA-N 2 1 370.493 3.324 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000192921458 497247209 /nfs/dbraw/zinc/24/72/09/497247209.db2.gz NHYWMCGDHYYZFI-ZIBCJSCZSA-N 2 1 358.526 3.466 20 0 FGADMP [NH3+][C@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237843897 497300694 /nfs/dbraw/zinc/30/06/94/497300694.db2.gz OMQNIPLXERYIBK-YOEHRIQHSA-N 2 1 370.324 3.201 20 0 FGADMP [NH3+][C@H](CCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000237903157 497311374 /nfs/dbraw/zinc/31/13/74/497311374.db2.gz AVGYTSSUBAYGIV-OAQYLSRUSA-N 2 1 369.484 3.340 20 0 FGADMP [NH3+][C@H](CCC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)c1ccccc1 ZINC000237903157 497311379 /nfs/dbraw/zinc/31/13/79/497311379.db2.gz AVGYTSSUBAYGIV-OAQYLSRUSA-N 2 1 369.484 3.340 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(-c3ccco3)s2)C1 ZINC000193207053 497323941 /nfs/dbraw/zinc/32/39/41/497323941.db2.gz BEUCHDBQAWWQCH-QGZVFWFLSA-N 2 1 369.490 3.260 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 ZINC000279126006 497341881 /nfs/dbraw/zinc/34/18/81/497341881.db2.gz QLGDNHWXIRTHCC-UZLBHIALSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000279126006 497341894 /nfs/dbraw/zinc/34/18/94/497341894.db2.gz QLGDNHWXIRTHCC-UZLBHIALSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000279126006 497341898 /nfs/dbraw/zinc/34/18/98/497341898.db2.gz QLGDNHWXIRTHCC-UZLBHIALSA-N 2 1 352.482 3.183 20 0 FGADMP c1nc(C2CC2)sc1C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000578276101 505902355 /nfs/dbraw/zinc/90/23/55/505902355.db2.gz NABOPUZDRRTWMD-GOSISDBHSA-N 2 1 357.523 3.401 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529113 497373899 /nfs/dbraw/zinc/37/38/99/497373899.db2.gz QRQLAYFWMOVUTL-XKQJLSEDSA-N 2 1 354.441 3.316 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1OC(F)F ZINC000271529106 497374494 /nfs/dbraw/zinc/37/44/94/497374494.db2.gz QRQLAYFWMOVUTL-IAOVAPTHSA-N 2 1 354.441 3.316 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)C1 ZINC000245412212 497393149 /nfs/dbraw/zinc/39/31/49/497393149.db2.gz AEOHLHHDRAMEQS-MOPGFXCFSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@]([NH3+])(C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)c1ccccc1 ZINC000581073395 505904612 /nfs/dbraw/zinc/90/46/12/505904612.db2.gz HKMWBZXBBCRYTB-HSZRJFAPSA-N 2 1 365.521 3.028 20 0 FGADMP C[C@H](NC(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261573983 497416029 /nfs/dbraw/zinc/41/60/29/497416029.db2.gz AXSSDISZINDFGF-DZFGPLHGSA-N 2 1 351.494 3.103 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000581079849 505906134 /nfs/dbraw/zinc/90/61/34/505906134.db2.gz GZIRYNQCHOHNCJ-LJQANCHMSA-N 2 1 359.901 3.321 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261653902 497427114 /nfs/dbraw/zinc/42/71/14/497427114.db2.gz JWQCNHVQIRVGIH-RHSMWYFYSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Cl)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261653902 497427120 /nfs/dbraw/zinc/42/71/20/497427120.db2.gz JWQCNHVQIRVGIH-RHSMWYFYSA-N 2 1 370.324 3.074 20 0 FGADMP CCCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261677033 497431035 /nfs/dbraw/zinc/43/10/35/497431035.db2.gz BCOSEIXRQKQMIZ-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000261778573 497449672 /nfs/dbraw/zinc/44/96/72/497449672.db2.gz JHTVPIVHUDUKRU-CEXWTWQISA-N 2 1 357.542 3.170 20 0 FGADMP COc1cccc(C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C2CC2)c1 ZINC000245567516 497459746 /nfs/dbraw/zinc/45/97/46/497459746.db2.gz XSAJZDIRZAMSAE-KGVIQGDOSA-N 2 1 360.542 3.495 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000261904172 497472382 /nfs/dbraw/zinc/47/23/82/497472382.db2.gz FLAKUQLPBYAPPE-UEXGIBASSA-N 2 1 369.553 3.170 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1OC ZINC000261970448 497484728 /nfs/dbraw/zinc/48/47/28/497484728.db2.gz NDJSKRJBZNKBHO-LJQANCHMSA-N 2 1 361.530 3.070 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245646547 497487424 /nfs/dbraw/zinc/48/74/24/497487424.db2.gz BRZNHIKONZOHJA-KOUNCHBCSA-N 2 1 355.526 3.030 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000271937403 497491983 /nfs/dbraw/zinc/49/19/83/497491983.db2.gz NLGVWEHQFIQTLB-SIKLNZKXSA-N 2 1 359.558 3.382 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)C1 ZINC000262014025 497492791 /nfs/dbraw/zinc/49/27/91/497492791.db2.gz WVNPDYXNOHOKMB-LBPRGKRZSA-N 2 1 365.275 3.060 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245666724 497494216 /nfs/dbraw/zinc/49/42/16/497494216.db2.gz DWXIFLWGKHIVEZ-FXAWDEMLSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000262139298 497514971 /nfs/dbraw/zinc/51/49/71/497514971.db2.gz LQFJOUKNDVQILU-PGRDOPGGSA-N 2 1 365.521 3.247 20 0 FGADMP CC(C)(C)c1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000262236938 497528236 /nfs/dbraw/zinc/52/82/36/497528236.db2.gz OQOPDPURJWHSPL-RDJZCZTQSA-N 2 1 363.571 3.126 20 0 FGADMP CC1(CNC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CC[NH2+]CC1 ZINC000262269167 497532084 /nfs/dbraw/zinc/53/20/84/497532084.db2.gz HZFQLBZPZNMWPT-UHFFFAOYSA-N 2 1 365.521 3.195 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])c1 ZINC000262336273 497541422 /nfs/dbraw/zinc/54/14/22/497541422.db2.gz HHZUWTCQFWTMDR-WHSGIHJSSA-N 2 1 357.542 3.297 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245839210 497547857 /nfs/dbraw/zinc/54/78/57/497547857.db2.gz HNPOQOOZFOURHB-MSOLQXFVSA-N 2 1 366.937 3.067 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCCC4)C2)cc1 ZINC000194022484 497550792 /nfs/dbraw/zinc/55/07/92/497550792.db2.gz XTSJLGMJHIWRGA-DXBBTUNJSA-N 2 1 354.538 3.488 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000245875750 497556463 /nfs/dbraw/zinc/55/64/63/497556463.db2.gz XXSIUFGSVIDIMF-PMACEKPBSA-N 2 1 364.578 3.016 20 0 FGADMP CCN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000578324104 505914866 /nfs/dbraw/zinc/91/48/66/505914866.db2.gz QUKPKTWQKHWKRR-YSIASYRMSA-N 2 1 351.494 3.252 20 0 FGADMP CCN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1cccc2ccccc21 ZINC000578324104 505914871 /nfs/dbraw/zinc/91/48/71/505914871.db2.gz QUKPKTWQKHWKRR-YSIASYRMSA-N 2 1 351.494 3.252 20 0 FGADMP Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C2)cn1 ZINC000578323881 505914953 /nfs/dbraw/zinc/91/49/53/505914953.db2.gz AFJKLPKULIPYAR-NRFANRHFSA-N 2 1 352.526 3.471 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262631499 497587443 /nfs/dbraw/zinc/58/74/43/497587443.db2.gz FLCPAVBBKZZZER-XCDJFROHSA-N 2 1 355.526 3.076 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000262635531 497589101 /nfs/dbraw/zinc/58/91/01/497589101.db2.gz HIYVFJWLNMBWOB-LFUKPOHLSA-N 2 1 351.494 3.032 20 0 FGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000245999998 497593632 /nfs/dbraw/zinc/59/36/32/497593632.db2.gz RSOGVLSSHVJFAA-SJORKVTESA-N 2 1 362.514 3.117 20 0 FGADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000245999998 497593634 /nfs/dbraw/zinc/59/36/34/497593634.db2.gz RSOGVLSSHVJFAA-SJORKVTESA-N 2 1 362.514 3.117 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262737741 497612093 /nfs/dbraw/zinc/61/20/93/497612093.db2.gz CHISMUQOCFWILC-UNMCSNQZSA-N 2 1 357.542 3.265 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H](c1ccccc1)c1ccccn1)N1CC[NH+](C)CC1 ZINC000194260106 497616844 /nfs/dbraw/zinc/61/68/44/497616844.db2.gz VMIACRSBUJCQFW-VXKWHMMOSA-N 2 1 352.526 3.033 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000194265364 497618331 /nfs/dbraw/zinc/61/83/31/497618331.db2.gz LXOHZRIWHLMNSV-GOSISDBHSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@@H+]1C ZINC000246109297 497625469 /nfs/dbraw/zinc/62/54/69/497625469.db2.gz HQZKAWSZWLCEEE-IIDMSEBBSA-N 2 1 366.937 3.067 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CC[N@H+]1C ZINC000246109297 497625473 /nfs/dbraw/zinc/62/54/73/497625473.db2.gz HQZKAWSZWLCEEE-IIDMSEBBSA-N 2 1 366.937 3.067 20 0 FGADMP C[NH+](C)[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467429 497636851 /nfs/dbraw/zinc/63/68/51/497636851.db2.gz ZUVIUEGWZWIPTE-MXEMCNAFSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000272467429 497636853 /nfs/dbraw/zinc/63/68/53/497636853.db2.gz ZUVIUEGWZWIPTE-MXEMCNAFSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@@]1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000272467429 497636854 /nfs/dbraw/zinc/63/68/54/497636854.db2.gz ZUVIUEGWZWIPTE-MXEMCNAFSA-N 2 1 359.583 3.209 20 0 FGADMP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538774 497655562 /nfs/dbraw/zinc/65/55/62/497655562.db2.gz CEYSSPCXFHLFDO-APWZRJJASA-N 2 1 370.493 3.410 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000581160142 505922976 /nfs/dbraw/zinc/92/29/76/505922976.db2.gz FAMDBAGJCJSFNQ-KRWDZBQOSA-N 2 1 367.331 3.263 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000581160142 505922977 /nfs/dbraw/zinc/92/29/77/505922977.db2.gz FAMDBAGJCJSFNQ-KRWDZBQOSA-N 2 1 367.331 3.263 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000246317928 497693478 /nfs/dbraw/zinc/69/34/78/497693478.db2.gz MQEZZGARMJJWIN-YZGWKJHDSA-N 2 1 360.546 3.051 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3C(C)=CCC[C@@H]3C)CC2)CC1 ZINC000191066569 497698384 /nfs/dbraw/zinc/69/83/84/497698384.db2.gz OUMIREYGSBHZBR-FPOVZHCZSA-N 2 1 361.574 3.245 20 0 FGADMP C[C@@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695454 497703854 /nfs/dbraw/zinc/70/38/54/497703854.db2.gz WYNPOTABAQXYOO-QUCCMNQESA-N 2 1 367.541 3.047 20 0 FGADMP C[C@H]([NH2+]CCc1nnc2n1CCCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272695453 497704494 /nfs/dbraw/zinc/70/44/94/497704494.db2.gz WYNPOTABAQXYOO-ICSRJNTNSA-N 2 1 367.541 3.047 20 0 FGADMP CCN(Cc1nccc(OC)c1OC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000191106790 497711782 /nfs/dbraw/zinc/71/17/82/497711782.db2.gz QWZBYLBTGWMHTG-SFHVURJKSA-N 2 1 355.482 3.195 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1)[NH+]1CCOCC1 ZINC000277050099 497727025 /nfs/dbraw/zinc/72/70/25/497727025.db2.gz IGJSYQRDJBZVFQ-FXAWDEMLSA-N 2 1 374.529 3.028 20 0 FGADMP C[C@@H]1CC(O)C[C@H](C)[NH+]1Cc1cccc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159036 497728116 /nfs/dbraw/zinc/72/81/16/497728116.db2.gz KYCGOZJJIXMIQK-SHFBKJGYSA-N 2 1 360.542 3.154 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000246421379 497730059 /nfs/dbraw/zinc/73/00/59/497730059.db2.gz BVTGVTJXXJRPEP-HLAWJBBLSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000246421379 497730064 /nfs/dbraw/zinc/73/00/64/497730064.db2.gz BVTGVTJXXJRPEP-HLAWJBBLSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000246421379 497730068 /nfs/dbraw/zinc/73/00/68/497730068.db2.gz BVTGVTJXXJRPEP-HLAWJBBLSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000246421379 497730072 /nfs/dbraw/zinc/73/00/72/497730072.db2.gz BVTGVTJXXJRPEP-HLAWJBBLSA-N 2 1 372.509 3.142 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246429619 497732144 /nfs/dbraw/zinc/73/21/44/497732144.db2.gz SWASCMIOQHIRQO-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246429619 497732149 /nfs/dbraw/zinc/73/21/49/497732149.db2.gz SWASCMIOQHIRQO-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246429619 497732155 /nfs/dbraw/zinc/73/21/55/497732155.db2.gz SWASCMIOQHIRQO-RBUKOAKNSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)C1 ZINC000246444631 497736229 /nfs/dbraw/zinc/73/62/29/497736229.db2.gz OUAQAIAZYQUKQE-SJBKTWHCSA-N 2 1 358.574 3.250 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237868 497739433 /nfs/dbraw/zinc/73/94/33/497739433.db2.gz OGSZMGDNABTYGQ-ICSRJNTNSA-N 2 1 363.933 3.282 20 0 FGADMP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000263237868 497739436 /nfs/dbraw/zinc/73/94/36/497739436.db2.gz OGSZMGDNABTYGQ-ICSRJNTNSA-N 2 1 363.933 3.282 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000246542538 497769796 /nfs/dbraw/zinc/76/97/96/497769796.db2.gz WPGDUCOQZKDVNZ-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000246542538 497769797 /nfs/dbraw/zinc/76/97/97/497769797.db2.gz WPGDUCOQZKDVNZ-JBACZVJFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000246590581 497783573 /nfs/dbraw/zinc/78/35/73/497783573.db2.gz OABUGFBPEZOOIS-JQHSSLGASA-N 2 1 372.538 3.364 20 0 FGADMP c1cc(OCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000246869430 497817733 /nfs/dbraw/zinc/81/77/33/497817733.db2.gz PZBMAQYFHLXNEG-LPHOPBHVSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc2c1OCO2 ZINC000246869430 497817734 /nfs/dbraw/zinc/81/77/34/497817734.db2.gz PZBMAQYFHLXNEG-LPHOPBHVSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc2c1OCO2 ZINC000246869430 497817735 /nfs/dbraw/zinc/81/77/35/497817735.db2.gz PZBMAQYFHLXNEG-LPHOPBHVSA-N 2 1 358.482 3.133 20 0 FGADMP c1cc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc2c1OCO2 ZINC000246869430 497817736 /nfs/dbraw/zinc/81/77/36/497817736.db2.gz PZBMAQYFHLXNEG-LPHOPBHVSA-N 2 1 358.482 3.133 20 0 FGADMP C[C@@H](NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000364202166 497838685 /nfs/dbraw/zinc/83/86/85/497838685.db2.gz YCFJNQUXVXSJPA-QGZVFWFLSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc1C ZINC000364249543 497860580 /nfs/dbraw/zinc/86/05/80/497860580.db2.gz GXVWMNFUQFISMQ-QFBILLFUSA-N 2 1 354.502 3.056 20 0 FGADMP Cc1cc(C)cc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268986 497871844 /nfs/dbraw/zinc/87/18/44/497871844.db2.gz YDNNKPWCZVYFKV-APWZRJJASA-N 2 1 354.502 3.056 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442256 505940982 /nfs/dbraw/zinc/94/09/82/505940982.db2.gz GHVVHSOHUKFMFR-YADHBBJMSA-N 2 1 371.569 3.130 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)N1CCOCC1 ZINC000578442256 505940984 /nfs/dbraw/zinc/94/09/84/505940984.db2.gz GHVVHSOHUKFMFR-YADHBBJMSA-N 2 1 371.569 3.130 20 0 FGADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OCc2nccn2C)cc1 ZINC000296029851 497897082 /nfs/dbraw/zinc/89/70/82/497897082.db2.gz SSOIXLWUDFOFKZ-BPIHKTFHSA-N 2 1 354.498 3.275 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]21 ZINC000569487156 505946667 /nfs/dbraw/zinc/94/66/67/505946667.db2.gz FEMULMMWFBSUMK-UGGKCQTMSA-N 2 1 373.516 3.232 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3ccc(F)cc3)C3CCCC3)C[C@@H]21 ZINC000569487156 505946670 /nfs/dbraw/zinc/94/66/70/505946670.db2.gz FEMULMMWFBSUMK-UGGKCQTMSA-N 2 1 373.516 3.232 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3nc(C4CC4)no3)CC2)nc(C(C)C)n1 ZINC000364369061 497924594 /nfs/dbraw/zinc/92/45/94/497924594.db2.gz AEFXWVYJBJNSMV-UHFFFAOYSA-N 2 1 370.501 3.270 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H](c3cccnc3)C3CCC3)cc2)CC1 ZINC000280868234 497930039 /nfs/dbraw/zinc/93/00/39/497930039.db2.gz NONOYGBGTXAUGL-QHCPKHFHSA-N 2 1 364.537 3.460 20 0 FGADMP O=C(CCc1ncc[nH]1)N1CC[N@@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000329865822 497932910 /nfs/dbraw/zinc/93/29/10/497932910.db2.gz UMBKFFOWUKOHDW-UHFFFAOYSA-N 2 1 366.509 3.390 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C1CCN(c2cccnn2)CC1 ZINC000364470431 497973184 /nfs/dbraw/zinc/97/31/84/497973184.db2.gz ZUOICFPIAXZFGK-UHFFFAOYSA-N 2 1 362.481 3.072 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H](c2ccccc2)C1 ZINC000296398020 498027460 /nfs/dbraw/zinc/02/74/60/498027460.db2.gz LKGXTGHLQZBPSR-NHCUHLMSSA-N 2 1 357.542 3.057 20 0 FGADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000364643537 498064522 /nfs/dbraw/zinc/06/45/22/498064522.db2.gz GELXJTUGXIYPRM-DLBZAZTESA-N 2 1 361.555 3.360 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000364663926 498076277 /nfs/dbraw/zinc/07/62/77/498076277.db2.gz OYDAWQRYONHUIP-LEAZDLGRSA-N 2 1 360.546 3.366 20 0 FGADMP CSc1cc2c(cc1C[N@H+](C)C[C@@H]1CCc3[nH+]ccn3C1)OCCO2 ZINC000364672420 498081667 /nfs/dbraw/zinc/08/16/67/498081667.db2.gz MDTRDMHWTTYDRX-AWEZNQCLSA-N 2 1 359.495 3.071 20 0 FGADMP CSc1cc2c(cc1C[N@@H+](C)C[C@@H]1CCc3[nH+]ccn3C1)OCCO2 ZINC000364672420 498081673 /nfs/dbraw/zinc/08/16/73/498081673.db2.gz MDTRDMHWTTYDRX-AWEZNQCLSA-N 2 1 359.495 3.071 20 0 FGADMP CCOCC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000301403500 498094494 /nfs/dbraw/zinc/09/44/94/498094494.db2.gz KEMVUHHEYZDOFA-UHFFFAOYSA-N 2 1 364.287 3.156 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000281353969 498116281 /nfs/dbraw/zinc/11/62/81/498116281.db2.gz MTGXTYXUSCVTJU-NRFANRHFSA-N 2 1 356.514 3.019 20 0 FGADMP CC(C)(C[C@H]1CCC[N@@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(N)=O ZINC000296635292 498130884 /nfs/dbraw/zinc/13/08/84/498130884.db2.gz XRBDRWUBXCBBSC-LJQANCHMSA-N 2 1 357.542 3.265 20 0 FGADMP CC(C)(C[C@H]1CCC[N@H+](C2CC[NH+](Cc3ccccc3)CC2)C1)C(N)=O ZINC000296635292 498130888 /nfs/dbraw/zinc/13/08/88/498130888.db2.gz XRBDRWUBXCBBSC-LJQANCHMSA-N 2 1 357.542 3.265 20 0 FGADMP c1cc(CC[NH+]2CCCC3(CCC[N@H+](CCc4ccncc4)C3)C2)ccn1 ZINC000289420989 498140200 /nfs/dbraw/zinc/14/02/00/498140200.db2.gz HVIGCRJKMQBKBE-UHFFFAOYSA-N 2 1 364.537 3.440 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)sc1Br ZINC000285612670 498146810 /nfs/dbraw/zinc/14/68/10/498146810.db2.gz YXXCDYGJNYZODC-GFCCVEGCSA-N 2 1 361.349 3.316 20 0 FGADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820408 498159112 /nfs/dbraw/zinc/15/91/12/498159112.db2.gz PUFYMXOSCCZQOG-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820408 498159118 /nfs/dbraw/zinc/15/91/18/498159118.db2.gz PUFYMXOSCCZQOG-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820408 498159123 /nfs/dbraw/zinc/15/91/23/498159123.db2.gz PUFYMXOSCCZQOG-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C2)C1 ZINC000292820408 498159129 /nfs/dbraw/zinc/15/91/29/498159129.db2.gz PUFYMXOSCCZQOG-QHCPKHFHSA-N 2 1 373.504 3.462 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC(=O)Nc2ccccc2)cc1F ZINC000578645849 505988896 /nfs/dbraw/zinc/98/88/96/505988896.db2.gz MDDGKCRFMVVUFM-UHFFFAOYSA-N 2 1 352.413 3.438 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(F)cc(C(F)(F)F)c3)CC2)CC1 ZINC000289491268 498167728 /nfs/dbraw/zinc/16/77/28/498167728.db2.gz RQYDAJDWPXLDGP-UHFFFAOYSA-N 2 1 373.438 3.304 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903320 498191168 /nfs/dbraw/zinc/19/11/68/498191168.db2.gz GTOKXFKWKICNPW-SFHVURJKSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903320 498191175 /nfs/dbraw/zinc/19/11/75/498191175.db2.gz GTOKXFKWKICNPW-SFHVURJKSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3F)C2)C1 ZINC000292903320 498191178 /nfs/dbraw/zinc/19/11/78/498191178.db2.gz GTOKXFKWKICNPW-SFHVURJKSA-N 2 1 353.869 3.225 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289579127 498200913 /nfs/dbraw/zinc/20/09/13/498200913.db2.gz SLKXXHXTXUMBGK-UHFFFAOYSA-N 2 1 362.275 3.172 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000285906153 498237522 /nfs/dbraw/zinc/23/75/22/498237522.db2.gz CXRVKNIDWOXEPH-UXLLHSPISA-N 2 1 368.543 3.322 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000285906153 498237527 /nfs/dbraw/zinc/23/75/27/498237527.db2.gz CXRVKNIDWOXEPH-UXLLHSPISA-N 2 1 368.543 3.322 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000575803573 506008384 /nfs/dbraw/zinc/00/83/84/506008384.db2.gz SYXNBBKVHPERGY-SZMVWBNQSA-N 2 1 371.506 3.156 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cs2)c1 ZINC000575803573 506008389 /nfs/dbraw/zinc/00/83/89/506008389.db2.gz SYXNBBKVHPERGY-SZMVWBNQSA-N 2 1 371.506 3.156 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cc4c(cn3)CCCC4)CC2)CC1 ZINC000575813730 506011270 /nfs/dbraw/zinc/01/12/70/506011270.db2.gz AFNYLLZXCSQUBQ-UHFFFAOYSA-N 2 1 370.541 3.095 20 0 FGADMP COc1coc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cc1=O ZINC000293188355 498299909 /nfs/dbraw/zinc/29/99/09/498299909.db2.gz FCUQNHIUXHJQJK-UHFFFAOYSA-N 2 1 368.477 3.137 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000569775554 506013000 /nfs/dbraw/zinc/01/30/00/506013000.db2.gz MQVVPTTZBKMVRQ-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000581551801 506013608 /nfs/dbraw/zinc/01/36/08/506013608.db2.gz ZUIZUJNXXWFMML-LJQANCHMSA-N 2 1 357.542 3.033 20 0 FGADMP CCC[NH+]1CCN(C2CCN(Cc3ccc(Br)o3)CC2)CC1 ZINC000365265233 498378739 /nfs/dbraw/zinc/37/87/39/498378739.db2.gz HBXYSHHMTJXGHL-UHFFFAOYSA-N 2 1 370.335 3.034 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000365273123 498381870 /nfs/dbraw/zinc/38/18/70/498381870.db2.gz YSPTUYOPCINNJR-STZQEDGTSA-N 2 1 368.525 3.160 20 0 FGADMP CSCc1cnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000293529678 498404176 /nfs/dbraw/zinc/40/41/76/498404176.db2.gz JHRGWNUQTDHUGP-UHFFFAOYSA-N 2 1 363.556 3.172 20 0 FGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@@H+]1Cc1ccccc1 ZINC000572685996 506028957 /nfs/dbraw/zinc/02/89/57/506028957.db2.gz SMLBDJODRAVFTB-UYAOXDASSA-N 2 1 365.525 3.354 20 0 FGADMP C[C@@H]1C[C@H](Nc2cc[nH+]c(N3CCCCC3)n2)CC[N@H+]1Cc1ccccc1 ZINC000572685996 506028959 /nfs/dbraw/zinc/02/89/59/506028959.db2.gz SMLBDJODRAVFTB-UYAOXDASSA-N 2 1 365.525 3.354 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1F ZINC000361730806 498422905 /nfs/dbraw/zinc/42/29/05/498422905.db2.gz ZFNAUFODZREQME-IFXJQAMLSA-N 2 1 366.440 3.067 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000365391431 498440565 /nfs/dbraw/zinc/44/05/65/498440565.db2.gz FKWFSGLQKLAWIA-QZTJIDSGSA-N 2 1 358.530 3.046 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000362416434 498513292 /nfs/dbraw/zinc/51/32/92/498513292.db2.gz DDFJKUHUQPICSC-LJQANCHMSA-N 2 1 368.525 3.109 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000362416434 498513299 /nfs/dbraw/zinc/51/32/99/498513299.db2.gz DDFJKUHUQPICSC-LJQANCHMSA-N 2 1 368.525 3.109 20 0 FGADMP C[N@@H+](CCOc1ccc(Cl)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000362423793 498514957 /nfs/dbraw/zinc/51/49/57/498514957.db2.gz BYPAKRLHFJBOFK-UHFFFAOYSA-N 2 1 352.906 3.294 20 0 FGADMP COCCC[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(F)cc1 ZINC000282448317 498516935 /nfs/dbraw/zinc/51/69/35/498516935.db2.gz UYFDDVOELLLRFR-PXNSSMCTSA-N 2 1 352.494 3.384 20 0 FGADMP Cc1oc(-c2cccs2)nc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000362486173 498523037 /nfs/dbraw/zinc/52/30/37/498523037.db2.gz KMTUAZUAXRLGCH-QGZVFWFLSA-N 2 1 374.554 3.312 20 0 FGADMP CCc1ccccc1NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000362616331 498524243 /nfs/dbraw/zinc/52/42/43/498524243.db2.gz LLEFGNQHXCJABN-SFHVURJKSA-N 2 1 355.526 3.384 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)s1 ZINC000282473118 498525780 /nfs/dbraw/zinc/52/57/80/498525780.db2.gz UVDCAVZDNAKRMX-LBPRGKRZSA-N 2 1 360.365 3.187 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362689205 498538121 /nfs/dbraw/zinc/53/81/21/498538121.db2.gz OZULYIOHBXIMBF-TZNCUMHOSA-N 2 1 352.544 3.039 20 0 FGADMP C[C@H](C[C@H](O)c1cccs1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362689205 498538132 /nfs/dbraw/zinc/53/81/32/498538132.db2.gz OZULYIOHBXIMBF-TZNCUMHOSA-N 2 1 352.544 3.039 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999714 506052953 /nfs/dbraw/zinc/05/29/53/506052953.db2.gz LJJSBEGXNNFBJU-DAOPMYJZSA-N 2 1 372.321 3.324 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](CC[S@@](=O)c2cc(Cl)ccc2Cl)C1 ZINC000575999714 506052954 /nfs/dbraw/zinc/05/29/54/506052954.db2.gz LJJSBEGXNNFBJU-DAOPMYJZSA-N 2 1 372.321 3.324 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[C@@H]3C3CC3)CC2)CC1 ZINC000576002618 506053674 /nfs/dbraw/zinc/05/36/74/506053674.db2.gz ZWURVFBCTYRJHE-TZIWHRDSSA-N 2 1 361.574 3.125 20 0 FGADMP C/C(=C\c1ccccc1OC(F)F)CN(CCO)C1CC[NH+](C)CC1 ZINC000290486225 498569942 /nfs/dbraw/zinc/56/99/42/498569942.db2.gz RGZFYORPXKLAIB-FYWRMAATSA-N 2 1 354.441 3.080 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000290556047 498595413 /nfs/dbraw/zinc/59/54/13/498595413.db2.gz MWUZRPYPVFTOLQ-IBGZPJMESA-N 2 1 356.514 3.013 20 0 FGADMP Cc1cc(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000290556047 498595421 /nfs/dbraw/zinc/59/54/21/498595421.db2.gz MWUZRPYPVFTOLQ-IBGZPJMESA-N 2 1 356.514 3.013 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000282672959 498606256 /nfs/dbraw/zinc/60/62/56/498606256.db2.gz NTCNEBLXKGTTPX-IBGZPJMESA-N 2 1 370.541 3.441 20 0 FGADMP COCCCn1nccc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000282672959 498606262 /nfs/dbraw/zinc/60/62/62/498606262.db2.gz NTCNEBLXKGTTPX-IBGZPJMESA-N 2 1 370.541 3.441 20 0 FGADMP C[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365795880 498644372 /nfs/dbraw/zinc/64/43/72/498644372.db2.gz OHXSSEZMMJJBSS-UZLBHIALSA-N 2 1 367.940 3.370 20 0 FGADMP C[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365795880 498644378 /nfs/dbraw/zinc/64/43/78/498644378.db2.gz OHXSSEZMMJJBSS-UZLBHIALSA-N 2 1 367.940 3.370 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000303277908 498661654 /nfs/dbraw/zinc/66/16/54/498661654.db2.gz SXFIKRNKGYQEOF-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000303316227 498664388 /nfs/dbraw/zinc/66/43/88/498664388.db2.gz SHYOQBQEFHFOOS-MOPGFXCFSA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2CC)cc1 ZINC000303434845 498673824 /nfs/dbraw/zinc/67/38/24/498673824.db2.gz DFICZRZCLCIZQF-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303503204 498683111 /nfs/dbraw/zinc/68/31/11/498683111.db2.gz VJTWWJKDKCWUQV-VAMGGRTRSA-N 2 1 374.573 3.174 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCCC1 ZINC000303567233 498692638 /nfs/dbraw/zinc/69/26/38/498692638.db2.gz OFRJPWKGLHZMMQ-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCc1ccccc1 ZINC000365913512 498697576 /nfs/dbraw/zinc/69/75/76/498697576.db2.gz ZIQSUYPCXHLCHL-UHFFFAOYSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311817063 498755030 /nfs/dbraw/zinc/75/50/30/498755030.db2.gz MMQKTQQXAUCRFB-XLIONFOSSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc2c1OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000311817063 498755035 /nfs/dbraw/zinc/75/50/35/498755035.db2.gz MMQKTQQXAUCRFB-XLIONFOSSA-N 2 1 352.478 3.458 20 0 FGADMP Cc1ccc(CNC(=O)c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)cc1 ZINC000570077326 506085289 /nfs/dbraw/zinc/08/52/89/506085289.db2.gz ZTOYIPQALBVZIF-CBQGHPETSA-N 2 1 363.505 3.298 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000298407250 498761139 /nfs/dbraw/zinc/76/11/39/498761139.db2.gz FKRQQZVYAIIWET-UHFFFAOYSA-N 2 1 374.554 3.194 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCc2sccc2C1 ZINC000298407250 498761147 /nfs/dbraw/zinc/76/11/47/498761147.db2.gz FKRQQZVYAIIWET-UHFFFAOYSA-N 2 1 374.554 3.194 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592131 498761913 /nfs/dbraw/zinc/76/19/13/498761913.db2.gz XDHWKAMZKOAMCI-BAGYTPMASA-N 2 1 368.521 3.235 20 0 FGADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCO2 ZINC000312597027 498762115 /nfs/dbraw/zinc/76/21/15/498762115.db2.gz XRGHWPRUDFDJLI-VQIMIIECSA-N 2 1 368.477 3.424 20 0 FGADMP CC1CC[NH+](CCC[C@@H]([NH2+]Cc2cnnn2C)c2ccc(F)cc2)CC1 ZINC000291065443 498779606 /nfs/dbraw/zinc/77/96/06/498779606.db2.gz AOKIBWWJDPUYLI-HXUWFJFHSA-N 2 1 359.493 3.297 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000294719359 498781520 /nfs/dbraw/zinc/78/15/20/498781520.db2.gz BSMLQSYSBPKALI-LPHOPBHVSA-N 2 1 357.523 3.085 20 0 FGADMP C[C@@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000287642787 498823119 /nfs/dbraw/zinc/82/31/19/498823119.db2.gz NUQOGDQWOZKOFI-YBVXAUJNSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000287642787 498823121 /nfs/dbraw/zinc/82/31/21/498823121.db2.gz NUQOGDQWOZKOFI-YBVXAUJNSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H](CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000287642787 498823125 /nfs/dbraw/zinc/82/31/25/498823125.db2.gz NUQOGDQWOZKOFI-YBVXAUJNSA-N 2 1 372.557 3.164 20 0 FGADMP C[N@@H+](CCCNC(=O)c1cccc(Cn2ccnc2)c1)C1CCCCC1 ZINC000298642058 498836612 /nfs/dbraw/zinc/83/66/12/498836612.db2.gz BYIFIBCAVXTPIT-UHFFFAOYSA-N 2 1 354.498 3.316 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952740 506098711 /nfs/dbraw/zinc/09/87/11/506098711.db2.gz STPZIVNQDGTAAU-VQIMIIECSA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952740 506098714 /nfs/dbraw/zinc/09/87/14/506098714.db2.gz STPZIVNQDGTAAU-VQIMIIECSA-N 2 1 363.933 3.133 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccc(Cl)c1 ZINC000366331377 498877578 /nfs/dbraw/zinc/87/75/78/498877578.db2.gz VREHVSDIWKFYJW-MJGOQNOKSA-N 2 1 357.885 3.222 20 0 FGADMP COc1cccc(NC(=O)CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000298881276 498905868 /nfs/dbraw/zinc/90/58/68/498905868.db2.gz KESXZMJLZNDWEA-SJORKVTESA-N 2 1 359.514 3.266 20 0 FGADMP C[C@@H]1CCN(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2ccccc2S1 ZINC000579231524 506125245 /nfs/dbraw/zinc/12/52/45/506125245.db2.gz JEMXWHIKLGANLM-SJLPKXTDSA-N 2 1 373.566 3.225 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)C[C@H](C)[N@@H+]1C ZINC000333425476 499003387 /nfs/dbraw/zinc/00/33/87/499003387.db2.gz SOJAOTHJCUUQCE-IYBDPMFKSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)C1 ZINC000333589280 499037235 /nfs/dbraw/zinc/03/72/35/499037235.db2.gz AWLMECZKYXZPAS-TWFHAPMSSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@@H+]1C ZINC000299454446 499064142 /nfs/dbraw/zinc/06/41/42/499064142.db2.gz ZLBNLFUSMXVHOY-UONOGXRCSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)CC[N@H+]1C ZINC000299454446 499064147 /nfs/dbraw/zinc/06/41/47/499064147.db2.gz ZLBNLFUSMXVHOY-UONOGXRCSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454446 499064152 /nfs/dbraw/zinc/06/41/52/499064152.db2.gz ZLBNLFUSMXVHOY-UONOGXRCSA-N 2 1 368.319 3.192 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)CC[NH+]1C ZINC000299454446 499064155 /nfs/dbraw/zinc/06/41/55/499064155.db2.gz ZLBNLFUSMXVHOY-UONOGXRCSA-N 2 1 368.319 3.192 20 0 FGADMP Nc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nc2sc3c(c21)CCCC3 ZINC000333893808 499094307 /nfs/dbraw/zinc/09/43/07/499094307.db2.gz XTYGKQPMDVDAND-HNNXBMFYSA-N 2 1 371.554 3.116 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)[C@H]2C[C@@H]2c2ccc(OC)cc2)CC1 ZINC000284358080 499094906 /nfs/dbraw/zinc/09/49/06/499094906.db2.gz NQJYXRYCQVOFKC-STZQEDGTSA-N 2 1 359.558 3.195 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000364046346 499098450 /nfs/dbraw/zinc/09/84/50/499098450.db2.gz BZKMIGMDQHFWQF-XWPNQZOQSA-N 2 1 366.933 3.027 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCCCC1 ZINC000372488985 499133997 /nfs/dbraw/zinc/13/39/97/499133997.db2.gz CJFQGZQOMFICKK-IRLDBZIGSA-N 2 1 355.526 3.067 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000367072746 499143917 /nfs/dbraw/zinc/14/39/17/499143917.db2.gz HIJCFSWGCXTOMU-SFTDATJTSA-N 2 1 366.509 3.192 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN([C@H]2CCCc3ccccc32)C1=O ZINC000367072746 499143920 /nfs/dbraw/zinc/14/39/20/499143920.db2.gz HIJCFSWGCXTOMU-SFTDATJTSA-N 2 1 366.509 3.192 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000367072744 499143969 /nfs/dbraw/zinc/14/39/69/499143969.db2.gz HIJCFSWGCXTOMU-RTWAWAEBSA-N 2 1 366.509 3.192 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O ZINC000367072744 499143972 /nfs/dbraw/zinc/14/39/72/499143972.db2.gz HIJCFSWGCXTOMU-RTWAWAEBSA-N 2 1 366.509 3.192 20 0 FGADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785849 499175348 /nfs/dbraw/zinc/17/53/48/499175348.db2.gz QWBLGILOQQECQR-STZQEDGTSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000372785849 499175349 /nfs/dbraw/zinc/17/53/49/499175349.db2.gz QWBLGILOQQECQR-STZQEDGTSA-N 2 1 357.542 3.134 20 0 FGADMP O=C(c1ccccc1)N1CC[C@@H](C[NH+]2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000367300902 499176215 /nfs/dbraw/zinc/17/62/15/499176215.db2.gz WHDBRKXRZLHTLA-SFHVURJKSA-N 2 1 355.526 3.145 20 0 FGADMP CC(C)C[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372820417 499180061 /nfs/dbraw/zinc/18/00/61/499180061.db2.gz GFFYVYXTFYEVLE-GOSISDBHSA-N 2 1 366.594 3.259 20 0 FGADMP C[NH+]1CCC([NH2+]C2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000370111449 499181986 /nfs/dbraw/zinc/18/19/86/499181986.db2.gz MAPPJOJLQINANB-UHFFFAOYSA-N 2 1 355.448 3.354 20 0 FGADMP CCC[C@H]1C[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370262826 499203315 /nfs/dbraw/zinc/20/33/15/499203315.db2.gz YRJLTQPXVSXJOO-ICSRJNTNSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)c3ccco3)c2)[C@H]2CCC[C@H]21 ZINC000367611326 499217555 /nfs/dbraw/zinc/21/75/55/499217555.db2.gz BQMSNTYGXAQPPV-CEXWTWQISA-N 2 1 353.466 3.494 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@H](C)c3ccccc3-n3ccnn3)CC2)[nH+]c1 ZINC000367614828 499217950 /nfs/dbraw/zinc/21/79/50/499217950.db2.gz JBCSTDNTRPKFRC-QGZVFWFLSA-N 2 1 362.481 3.290 20 0 FGADMP CCCCc1nc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000367616459 499218196 /nfs/dbraw/zinc/21/81/96/499218196.db2.gz GXOHDVDJOISVNN-GOSISDBHSA-N 2 1 350.576 3.086 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]3CCCO3)C[C@H]1C)CCCO2 ZINC000370615485 499235641 /nfs/dbraw/zinc/23/56/41/499235641.db2.gz DRQNJLMWOHTSTI-KRZXBLKESA-N 2 1 374.525 3.388 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]3CCCO3)C[C@H]1C)CCCO2 ZINC000370615485 499235642 /nfs/dbraw/zinc/23/56/42/499235642.db2.gz DRQNJLMWOHTSTI-KRZXBLKESA-N 2 1 374.525 3.388 20 0 FGADMP C[N@H+](Cc1cc(F)cc2c1OCOC2)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367883619 499241674 /nfs/dbraw/zinc/24/16/74/499241674.db2.gz CCVWAOJQYSJKRE-UHFFFAOYSA-N 2 1 371.456 3.436 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000370670117 499242341 /nfs/dbraw/zinc/24/23/41/499242341.db2.gz WNUXBFXKSZKRQY-FCEUIQTBSA-N 2 1 372.553 3.214 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000370671210 499242728 /nfs/dbraw/zinc/24/27/28/499242728.db2.gz OMRBPXPFNBASDS-CZAAIQMYSA-N 2 1 350.510 3.143 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@H]1C)C2 ZINC000370671210 499242730 /nfs/dbraw/zinc/24/27/30/499242730.db2.gz OMRBPXPFNBASDS-CZAAIQMYSA-N 2 1 350.510 3.143 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCCC[C@@H]1C ZINC000370671804 499242796 /nfs/dbraw/zinc/24/27/96/499242796.db2.gz YMCVWXIPUQTMEJ-ANULTFPQSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000370671804 499242797 /nfs/dbraw/zinc/24/27/97/499242797.db2.gz YMCVWXIPUQTMEJ-ANULTFPQSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@@H]1C[NH+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000370671804 499242798 /nfs/dbraw/zinc/24/27/98/499242798.db2.gz YMCVWXIPUQTMEJ-ANULTFPQSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000370671804 499242799 /nfs/dbraw/zinc/24/27/99/499242799.db2.gz YMCVWXIPUQTMEJ-ANULTFPQSA-N 2 1 351.579 3.120 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000370671804 499242800 /nfs/dbraw/zinc/24/28/00/499242800.db2.gz YMCVWXIPUQTMEJ-ANULTFPQSA-N 2 1 351.579 3.120 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000370677637 499243402 /nfs/dbraw/zinc/24/34/02/499243402.db2.gz OVZRRWOZSPQQDN-IFMALSPDSA-N 2 1 363.505 3.095 20 0 FGADMP [NH3+]CCCCCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370762772 499252377 /nfs/dbraw/zinc/25/23/77/499252377.db2.gz ASONGYJZZYRGJQ-QFIPXVFZSA-N 2 1 357.542 3.410 20 0 FGADMP CC(C)N1CCc2nc(C[N@@H+]3CCCCC[C@H]3C[C@H](C)O)sc2C1 ZINC000368037986 499258341 /nfs/dbraw/zinc/25/83/41/499258341.db2.gz OCVCTRCUIPFBEM-HOTGVXAUSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCCC[C@H]3C[C@H](C)O)sc2C1 ZINC000368037986 499258342 /nfs/dbraw/zinc/25/83/42/499258342.db2.gz OCVCTRCUIPFBEM-HOTGVXAUSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCCC[C@H]3C[C@H](C)O)sc2C1 ZINC000368037986 499258344 /nfs/dbraw/zinc/25/83/44/499258344.db2.gz OCVCTRCUIPFBEM-HOTGVXAUSA-N 2 1 351.560 3.425 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCCC[C@H]3C[C@H](C)O)sc2C1 ZINC000368037986 499258345 /nfs/dbraw/zinc/25/83/45/499258345.db2.gz OCVCTRCUIPFBEM-HOTGVXAUSA-N 2 1 351.560 3.425 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@@H+]2C)cc1 ZINC000368223756 499275637 /nfs/dbraw/zinc/27/56/37/499275637.db2.gz BFIPTFNVDYIJTL-OXQOHEQNSA-N 2 1 365.481 3.091 20 0 FGADMP COc1ccc([C@@H]2[C@@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@H+]2C)cc1 ZINC000368223756 499275638 /nfs/dbraw/zinc/27/56/38/499275638.db2.gz BFIPTFNVDYIJTL-OXQOHEQNSA-N 2 1 365.481 3.091 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc4cc[nH]c4c3)CC2)CC1 ZINC000371089406 499287649 /nfs/dbraw/zinc/28/76/49/499287649.db2.gz QBJGVVAMJLMZGF-UHFFFAOYSA-N 2 1 368.525 3.094 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371106243 499288936 /nfs/dbraw/zinc/28/89/36/499288936.db2.gz JFQHCCSGRIVUJW-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371106246 499288954 /nfs/dbraw/zinc/28/89/54/499288954.db2.gz JFQHCCSGRIVUJW-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCOc3ccccc3)CC2)CC1 ZINC000371157900 499294220 /nfs/dbraw/zinc/29/42/20/499294220.db2.gz PHRCZSHRPFVZFN-UHFFFAOYSA-N 2 1 359.558 3.194 20 0 FGADMP C[N@H+](CCOc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371157900 499294221 /nfs/dbraw/zinc/29/42/21/499294221.db2.gz PHRCZSHRPFVZFN-UHFFFAOYSA-N 3 1 359.558 3.194 20 0 FGADMP C[N@@H+](CCOc1ccccc1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371157900 499294222 /nfs/dbraw/zinc/29/42/22/499294222.db2.gz PHRCZSHRPFVZFN-UHFFFAOYSA-N 3 1 359.558 3.194 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300393 499307384 /nfs/dbraw/zinc/30/73/84/499307384.db2.gz PCEWVBVMVDBYOT-NXHRZFHOSA-N 2 1 372.431 3.311 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300393 499307385 /nfs/dbraw/zinc/30/73/85/499307385.db2.gz PCEWVBVMVDBYOT-NXHRZFHOSA-N 2 1 372.431 3.311 20 0 FGADMP Cc1[nH+]c(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)c2n1CCCC2 ZINC000371306908 499308257 /nfs/dbraw/zinc/30/82/57/499308257.db2.gz ZATGVBNGEFPMDM-LJQANCHMSA-N 2 1 366.509 3.056 20 0 FGADMP Cc1[nH+]c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2n1CCCC2 ZINC000371306908 499308258 /nfs/dbraw/zinc/30/82/58/499308258.db2.gz ZATGVBNGEFPMDM-LJQANCHMSA-N 2 1 366.509 3.056 20 0 FGADMP CCc1cccc(CC)c1NC(=O)[C@@H](C)[NH2+][C@H]1CCc2[nH+]c(C)cn2C1 ZINC000371490316 499333408 /nfs/dbraw/zinc/33/34/08/499333408.db2.gz DLAXDSUFABZNOZ-QAPCUYQASA-N 2 1 354.498 3.248 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)C2 ZINC000371491619 499333844 /nfs/dbraw/zinc/33/38/44/499333844.db2.gz SVFBATFBBREHRV-VBQJREDUSA-N 2 1 360.889 3.015 20 0 FGADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1CC[NH+](C2CCOCC2)CC1 ZINC000369151651 499371362 /nfs/dbraw/zinc/37/13/62/499371362.db2.gz GLBDFUCPTMRHIF-UHFFFAOYSA-N 2 1 358.526 3.129 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)CC1 ZINC000371975189 499385837 /nfs/dbraw/zinc/38/58/37/499385837.db2.gz VQPKPFCUNCHDQV-AYHJJNSGSA-N 2 1 367.497 3.497 20 0 FGADMP COc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000372065658 499395088 /nfs/dbraw/zinc/39/50/88/499395088.db2.gz RMRYMWZQOZRSQW-NRFANRHFSA-N 2 1 351.494 3.374 20 0 FGADMP CC(C)C[NH+]1CCCN(CCCCN2CCC[N@H+](CC(C)C)CC2)CC1 ZINC000369590560 499423551 /nfs/dbraw/zinc/42/35/51/499423551.db2.gz GURHEANORVQARD-UHFFFAOYSA-N 2 1 366.638 3.094 20 0 FGADMP CC[C@H]1CC[C@@H](C)N1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000378388299 499510835 /nfs/dbraw/zinc/51/08/35/499510835.db2.gz HOZXMNRBMXLRDV-MJGOQNOKSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000378398539 499512348 /nfs/dbraw/zinc/51/23/48/499512348.db2.gz GKPDMZSHNGMYPZ-FVTFTPSCSA-N 2 1 374.569 3.268 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375410593 499515601 /nfs/dbraw/zinc/51/56/01/499515601.db2.gz KPAIFRPFVIYNOG-XPNTWCBSSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375410593 499515603 /nfs/dbraw/zinc/51/56/03/499515603.db2.gz KPAIFRPFVIYNOG-XPNTWCBSSA-N 2 1 374.569 3.397 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H]1[C@H]1COCC[C@]1(C)O ZINC000375410593 499515605 /nfs/dbraw/zinc/51/56/05/499515605.db2.gz KPAIFRPFVIYNOG-XPNTWCBSSA-N 2 1 374.569 3.397 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)cn1 ZINC000378439571 499516874 /nfs/dbraw/zinc/51/68/74/499516874.db2.gz RLWDIAAKOFFDIL-GOSISDBHSA-N 2 1 353.466 3.168 20 0 FGADMP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000378490298 499523389 /nfs/dbraw/zinc/52/33/89/499523389.db2.gz DKZLRKBMFZJVCE-AVRDEDQJSA-N 2 1 365.521 3.389 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2)[C@H]1c1ccccc1 ZINC000375498914 499526077 /nfs/dbraw/zinc/52/60/77/499526077.db2.gz WZFPCCKYHYQDKU-KCZVDYSFSA-N 2 1 354.494 3.099 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000378513207 499526201 /nfs/dbraw/zinc/52/62/01/499526201.db2.gz CQFBYZREHPVFCM-MOPGFXCFSA-N 2 1 372.557 3.436 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000576396818 506148600 /nfs/dbraw/zinc/14/86/00/506148600.db2.gz MCKRMNBCTKWCGA-MSOLQXFVSA-N 2 1 365.468 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000576396818 506148602 /nfs/dbraw/zinc/14/86/02/506148602.db2.gz MCKRMNBCTKWCGA-MSOLQXFVSA-N 2 1 365.468 3.124 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000576396819 506149093 /nfs/dbraw/zinc/14/90/93/506149093.db2.gz MCKRMNBCTKWCGA-QZTJIDSGSA-N 2 1 365.468 3.124 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000576396819 506149094 /nfs/dbraw/zinc/14/90/94/506149094.db2.gz MCKRMNBCTKWCGA-QZTJIDSGSA-N 2 1 365.468 3.124 20 0 FGADMP C[C@](O)(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)C(F)(F)F ZINC000386211025 499548892 /nfs/dbraw/zinc/54/88/92/499548892.db2.gz MVUFLVDQAMEBDI-KRWDZBQOSA-N 2 1 356.432 3.288 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783653 499555530 /nfs/dbraw/zinc/55/55/30/499555530.db2.gz FAGLHFIOFUSLSS-QXULXFAOSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375783653 499555531 /nfs/dbraw/zinc/55/55/31/499555531.db2.gz FAGLHFIOFUSLSS-QXULXFAOSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375783653 499555532 /nfs/dbraw/zinc/55/55/32/499555532.db2.gz FAGLHFIOFUSLSS-QXULXFAOSA-N 2 1 373.324 3.290 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375783655 499555740 /nfs/dbraw/zinc/55/57/40/499555740.db2.gz FAGLHFIOFUSLSS-VFSICIBPSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375783655 499555742 /nfs/dbraw/zinc/55/57/42/499555742.db2.gz FAGLHFIOFUSLSS-VFSICIBPSA-N 2 1 373.324 3.290 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)cc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375783655 499555743 /nfs/dbraw/zinc/55/57/43/499555743.db2.gz FAGLHFIOFUSLSS-VFSICIBPSA-N 2 1 373.324 3.290 20 0 FGADMP C(=C/C[N@H+]1CCCC2(CCOCC2)C1)\C[NH+]1CCCC2(CCOCC2)C1 ZINC000375891995 499565493 /nfs/dbraw/zinc/56/54/93/499565493.db2.gz SPQCHBLAKYQMAV-OWOJBTEDSA-N 2 1 362.558 3.328 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000375965743 499572254 /nfs/dbraw/zinc/57/22/54/499572254.db2.gz ZEEOSMZMRZHEAN-SFHVURJKSA-N 2 1 355.486 3.204 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)CC2)cs1 ZINC000376168580 499588426 /nfs/dbraw/zinc/58/84/26/499588426.db2.gz XIWBPEMZXSDWDW-OTWHNJEPSA-N 2 1 363.571 3.457 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc1 ZINC000409631182 499610538 /nfs/dbraw/zinc/61/05/38/499610538.db2.gz JKCQDPPKNMSBNQ-LJQANCHMSA-N 2 1 359.901 3.321 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CC(=O)NCCCC2CCCCC2)C[C@H]1c1ccccc1 ZINC000410082589 499640395 /nfs/dbraw/zinc/64/03/95/499640395.db2.gz NRSPGZZDPUIJBL-RTWAWAEBSA-N 2 1 357.542 3.137 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CC(=O)NCCCC2CCCCC2)C[C@H]1c1ccccc1 ZINC000410082589 499640396 /nfs/dbraw/zinc/64/03/96/499640396.db2.gz NRSPGZZDPUIJBL-RTWAWAEBSA-N 2 1 357.542 3.137 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573250823 506153346 /nfs/dbraw/zinc/15/33/46/506153346.db2.gz DUKISQSIYFRPDX-BRWVUGGUSA-N 2 1 369.912 3.493 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573250823 506153349 /nfs/dbraw/zinc/15/33/49/506153349.db2.gz DUKISQSIYFRPDX-BRWVUGGUSA-N 2 1 369.912 3.493 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000377166451 499667245 /nfs/dbraw/zinc/66/72/45/499667245.db2.gz DKACAUNGCKTGEY-ZCNNSNEGSA-N 2 1 367.493 3.101 20 0 FGADMP O=C(NC[C@H]([NH2+]Cc1ccccc1)c1ccco1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000377166451 499667247 /nfs/dbraw/zinc/66/72/47/499667247.db2.gz DKACAUNGCKTGEY-ZCNNSNEGSA-N 2 1 367.493 3.101 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+]([C@H]1CCc3ccccc3NC1=O)CC2)C1CC1 ZINC000377307404 499678515 /nfs/dbraw/zinc/67/85/15/499678515.db2.gz IOTBCMVOHVLUNK-XLIONFOSSA-N 2 1 353.510 3.136 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550178 499703724 /nfs/dbraw/zinc/70/37/24/499703724.db2.gz OCELXKRLEFRUBM-QSFXBCCZSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550178 499703725 /nfs/dbraw/zinc/70/37/25/499703725.db2.gz OCELXKRLEFRUBM-QSFXBCCZSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000377550178 499703726 /nfs/dbraw/zinc/70/37/26/499703726.db2.gz OCELXKRLEFRUBM-QSFXBCCZSA-N 2 1 352.482 3.232 20 0 FGADMP C[C@H]1C[N@@H+](C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194431 499709430 /nfs/dbraw/zinc/70/94/30/499709430.db2.gz UOSBBIXIRSZRFY-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP C[C@H]1C[N@H+](C2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)CC2)CCO1 ZINC000411194431 499709431 /nfs/dbraw/zinc/70/94/31/499709431.db2.gz UOSBBIXIRSZRFY-FQEVSTJZSA-N 2 1 371.569 3.358 20 0 FGADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000377618130 499710878 /nfs/dbraw/zinc/71/08/78/499710878.db2.gz BKKORSDVAWRKEF-IBGZPJMESA-N 2 1 353.510 3.406 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c(-c2ccncc2)n1 ZINC000377758675 499729781 /nfs/dbraw/zinc/72/97/81/499729781.db2.gz CXQXZJCIHZOKDM-DENIHFKCSA-N 2 1 361.493 3.265 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411398183 499734064 /nfs/dbraw/zinc/73/40/64/499734064.db2.gz IYDOWCPMYXZTCJ-HXUWFJFHSA-N 2 1 354.498 3.097 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000411398183 499734065 /nfs/dbraw/zinc/73/40/65/499734065.db2.gz IYDOWCPMYXZTCJ-HXUWFJFHSA-N 2 1 354.498 3.097 20 0 FGADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834217 499740567 /nfs/dbraw/zinc/74/05/67/499740567.db2.gz JVHUVEHYQNIPPC-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834217 499740569 /nfs/dbraw/zinc/74/05/69/499740569.db2.gz JVHUVEHYQNIPPC-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834217 499740570 /nfs/dbraw/zinc/74/05/70/499740570.db2.gz JVHUVEHYQNIPPC-ZWKOTPCHSA-N 2 1 351.535 3.050 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000377974786 499752508 /nfs/dbraw/zinc/75/25/08/499752508.db2.gz YRZSYYZVEZCMML-ZQIUZPCESA-N 2 1 358.461 3.227 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1F ZINC000377974786 499752510 /nfs/dbraw/zinc/75/25/10/499752510.db2.gz YRZSYYZVEZCMML-ZQIUZPCESA-N 2 1 358.461 3.227 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000377974786 499752512 /nfs/dbraw/zinc/75/25/12/499752512.db2.gz YRZSYYZVEZCMML-ZQIUZPCESA-N 2 1 358.461 3.227 20 0 FGADMP C[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)ncn2)C1 ZINC000377989112 499753872 /nfs/dbraw/zinc/75/38/72/499753872.db2.gz OCYPUYIQJNXSFA-MMOPVJDHSA-N 2 1 366.513 3.213 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000378071246 499757254 /nfs/dbraw/zinc/75/72/54/499757254.db2.gz FFYDXAGYLLEUIB-HXUWFJFHSA-N 2 1 370.472 3.310 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000378071246 499757255 /nfs/dbraw/zinc/75/72/55/499757255.db2.gz FFYDXAGYLLEUIB-HXUWFJFHSA-N 2 1 370.472 3.310 20 0 FGADMP O=C([C@H]1CCCCN1Cc1ccc(F)cc1)N1CCC(c2cnc[nH]2)CC1 ZINC000378071246 499757256 /nfs/dbraw/zinc/75/72/56/499757256.db2.gz FFYDXAGYLLEUIB-HXUWFJFHSA-N 2 1 370.472 3.310 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411634389 499771273 /nfs/dbraw/zinc/77/12/73/499771273.db2.gz UOVYLSVKBRHJBS-UHFFFAOYSA-N 2 1 364.440 3.465 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000411634389 499771275 /nfs/dbraw/zinc/77/12/75/499771275.db2.gz UOVYLSVKBRHJBS-UHFFFAOYSA-N 2 1 364.440 3.465 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC(C)(C)S(C)(=O)=O)CC1 ZINC000414253187 499771742 /nfs/dbraw/zinc/77/17/42/499771742.db2.gz IDNRMNPDHVWFDH-UHFFFAOYSA-N 2 1 360.608 3.469 20 0 FGADMP C[C@@H]1OCC[C@]12C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)C[C@@H](C)O2 ZINC000411669999 499775635 /nfs/dbraw/zinc/77/56/35/499775635.db2.gz KPSJQKFABHELNW-DXIQSLLYSA-N 2 1 358.526 3.441 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000576440536 506158902 /nfs/dbraw/zinc/15/89/02/506158902.db2.gz RAIMPKQHXMERSG-QZTJIDSGSA-N 2 1 360.546 3.240 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+]([C@@H]4C[C@@H]4c4ccccc4)CC3)C2)cc1 ZINC000411719652 499782968 /nfs/dbraw/zinc/78/29/68/499782968.db2.gz NXNTYIPSBZSMEI-RBZQAINGSA-N 2 1 361.533 3.435 20 0 FGADMP O[C@@H]1C[C@@H]([C@H]2CCCOC2)[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411785382 499790389 /nfs/dbraw/zinc/79/03/89/499790389.db2.gz JRVBQLZJLVXRLG-BDTNDASRSA-N 2 1 358.526 3.034 20 0 FGADMP CC(CC[NH+]1CC[C@H](O)CC(C)(C)C1)CC[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000411801666 499792209 /nfs/dbraw/zinc/79/22/09/499792209.db2.gz ZJNFBYVMKSFOAF-PMACEKPBSA-N 2 1 368.606 3.369 20 0 FGADMP CC(CC[NH+](C)[C@@H]1CCN(C(C)C)C1)CC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411879410 499799319 /nfs/dbraw/zinc/79/93/19/499799319.db2.gz RTDHQBAXMXUHDU-FGZHOGPDSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@@H]1CC[N@@H+](C(C)C)C1)CC[NH+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411879410 499799322 /nfs/dbraw/zinc/79/93/22/499799322.db2.gz RTDHQBAXMXUHDU-FGZHOGPDSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@@H]1CC[N@H+](C(C)C)C1)CC[NH+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411879410 499799323 /nfs/dbraw/zinc/79/93/23/499799323.db2.gz RTDHQBAXMXUHDU-FGZHOGPDSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@@H]1CC[NH+](C(C)C)C1)CC[N@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411879410 499799324 /nfs/dbraw/zinc/79/93/24/499799324.db2.gz RTDHQBAXMXUHDU-FGZHOGPDSA-N 2 1 366.638 3.232 20 0 FGADMP CC(CCN(C)[C@@H]1CC[NH+](C(C)C)C1)CC[N@@H+](C)[C@@H]1CCN(C(C)C)C1 ZINC000411879410 499799325 /nfs/dbraw/zinc/79/93/25/499799325.db2.gz RTDHQBAXMXUHDU-FGZHOGPDSA-N 2 1 366.638 3.232 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC3(CCOCC3)[C@H]2c2ccccc2)CC1 ZINC000412013354 499812815 /nfs/dbraw/zinc/81/28/15/499812815.db2.gz NVQRMPDLQGTLPY-JOCHJYFZSA-N 2 1 371.569 3.256 20 0 FGADMP Cc1ccccc1C[N@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414708958 499821723 /nfs/dbraw/zinc/82/17/23/499821723.db2.gz QQIIQQHPLLMQGS-OAQYLSRUSA-N 2 1 365.521 3.195 20 0 FGADMP C[N@H+](Cc1ccccc1NC(=O)NCC(F)(F)C[NH3+])C1CCCCC1 ZINC000414715532 499822062 /nfs/dbraw/zinc/82/20/62/499822062.db2.gz RAFMWUNYBFZBCJ-UHFFFAOYSA-N 2 1 354.445 3.167 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)NCC(F)(F)C[NH3+])C1CCCCC1 ZINC000414715532 499822063 /nfs/dbraw/zinc/82/20/63/499822063.db2.gz RAFMWUNYBFZBCJ-UHFFFAOYSA-N 2 1 354.445 3.167 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cs2)cc1 ZINC000414776869 499829792 /nfs/dbraw/zinc/82/97/92/499829792.db2.gz DSHUBMZJWQUMSB-MOPGFXCFSA-N 2 1 357.523 3.447 20 0 FGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000414786753 499831110 /nfs/dbraw/zinc/83/11/10/499831110.db2.gz UUFIOLGXFBWLCT-QGZVFWFLSA-N 2 1 357.523 3.306 20 0 FGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000414786753 499831112 /nfs/dbraw/zinc/83/11/12/499831112.db2.gz UUFIOLGXFBWLCT-QGZVFWFLSA-N 2 1 357.523 3.306 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(Br)c1 ZINC000414813846 499833779 /nfs/dbraw/zinc/83/37/79/499833779.db2.gz MZSIJLZCSXZPPD-SWLSCSKDSA-N 2 1 356.308 3.273 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414820401 499834482 /nfs/dbraw/zinc/83/44/82/499834482.db2.gz ASWFEIAIYKUADI-JQWIXIFHSA-N 2 1 363.811 3.418 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414840908 499836378 /nfs/dbraw/zinc/83/63/78/499836378.db2.gz YPNGREBNZBVGMF-CQSZACIVSA-N 2 1 363.303 3.032 20 0 FGADMP CCOCCOc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414946705 499847558 /nfs/dbraw/zinc/84/75/58/499847558.db2.gz JWBIXJBBHKOGND-XJKSGUPXSA-N 2 1 371.319 3.095 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(Br)c2)CC[NH2+]1 ZINC000414947631 499847585 /nfs/dbraw/zinc/84/75/85/499847585.db2.gz KYYLDQIKQPDUCX-MWLCHTKSSA-N 2 1 362.109 3.442 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)CC[NH2+]1 ZINC000414957237 499848650 /nfs/dbraw/zinc/84/86/50/499848650.db2.gz VYDKYVKDDMDWPO-DYVFJYSZSA-N 2 1 352.404 3.180 20 0 FGADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414993453 499852495 /nfs/dbraw/zinc/85/24/95/499852495.db2.gz CIWDXYXEEJKLSC-ZYHUDNBSSA-N 2 1 365.237 3.354 20 0 FGADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cnn(-c3ccccc3)c2)cc1 ZINC000415001712 499853685 /nfs/dbraw/zinc/85/36/85/499853685.db2.gz LFXSPYUEBODXSE-KNQAVFIVSA-N 2 1 364.468 3.494 20 0 FGADMP COc1cc2c(cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)OCO2 ZINC000415014386 499855025 /nfs/dbraw/zinc/85/50/25/499855025.db2.gz ZLEUEECBZASHPN-FUHWJXTLSA-N 2 1 372.440 3.046 20 0 FGADMP c1ccc(-c2cccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c2)nc1 ZINC000415052342 499858593 /nfs/dbraw/zinc/85/85/93/499858593.db2.gz KSBNXWWKUFLRMT-UHFFFAOYSA-N 2 1 350.510 3.055 20 0 FGADMP COc1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058738 499859352 /nfs/dbraw/zinc/85/93/52/499859352.db2.gz WCYLZCZXXNCFLE-ZBFHGGJFSA-N 2 1 350.528 3.390 20 0 FGADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000415058738 499859353 /nfs/dbraw/zinc/85/93/53/499859353.db2.gz WCYLZCZXXNCFLE-ZBFHGGJFSA-N 2 1 350.528 3.390 20 0 FGADMP Fc1ccc(N2CCOCC2)c(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000415084693 499861966 /nfs/dbraw/zinc/86/19/66/499861966.db2.gz HIYLMMJHLUIFHO-LEWJYISDSA-N 2 1 369.484 3.245 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000415111381 499865236 /nfs/dbraw/zinc/86/52/36/499865236.db2.gz QVBCNRDYINPVPA-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc(Br)ccc3F)CC2)C1 ZINC000415130748 499868192 /nfs/dbraw/zinc/86/81/92/499868192.db2.gz XNQZPODAXBSMMJ-DOTOQJQBSA-N 2 1 371.294 3.307 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C[C@@H]1C[NH3+] ZINC000415133348 499868568 /nfs/dbraw/zinc/86/85/68/499868568.db2.gz VBXYAQQZSQMUOW-HIFRSBDPSA-N 2 1 352.404 3.308 20 0 FGADMP CCOc1ccccc1CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000415140406 499869505 /nfs/dbraw/zinc/86/95/05/499869505.db2.gz ZDQLRXIOWCQYMS-UHFFFAOYSA-N 2 1 353.510 3.168 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000415905295 499926552 /nfs/dbraw/zinc/92/65/52/499926552.db2.gz URWGCDSOYYDRGV-SFHVURJKSA-N 2 1 360.889 3.484 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415913633 499927697 /nfs/dbraw/zinc/92/76/97/499927697.db2.gz QBTSJRDWLQCZNT-APWZRJJASA-N 2 1 352.482 3.191 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000415959222 499933647 /nfs/dbraw/zinc/93/36/47/499933647.db2.gz SMDOMPMACKBTIG-UHFFFAOYSA-N 2 1 367.497 3.290 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000415975590 499936280 /nfs/dbraw/zinc/93/62/80/499936280.db2.gz MFTVMQJMNDWORZ-UHFFFAOYSA-N 2 1 374.435 3.210 20 0 FGADMP CC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000416005799 499940139 /nfs/dbraw/zinc/94/01/39/499940139.db2.gz IVGKNRSNQYWADB-OAQYLSRUSA-N 2 1 364.493 3.418 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cc1 ZINC000570425232 506166133 /nfs/dbraw/zinc/16/61/33/506166133.db2.gz MNIBAZVFAMONPJ-UXHICEINSA-N 2 1 364.493 3.131 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(CCC[NH3+])Cc2ccccc2)C1 ZINC000417033038 499952830 /nfs/dbraw/zinc/95/28/30/499952830.db2.gz FKZDTUDTXWZWNK-IBGZPJMESA-N 2 1 360.546 3.059 20 0 FGADMP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000416201216 499979191 /nfs/dbraw/zinc/97/91/91/499979191.db2.gz RKAWZEHNVOGROD-HFSMHLIXSA-N 2 1 357.542 3.449 20 0 FGADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC[C@@H](c4nc(C5CC5)no4)O3)CC[NH2+]2)cc1 ZINC000570440496 506168438 /nfs/dbraw/zinc/16/84/38/506168438.db2.gz USTLSFMMSPTSGY-RDGPPVDQSA-N 2 1 368.481 3.250 20 0 FGADMP Cc1cc(CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc(N2CCCC2)[nH+]1 ZINC000416235694 499990315 /nfs/dbraw/zinc/99/03/15/499990315.db2.gz VWIQNRFXYLQFMB-FQEVSTJZSA-N 2 1 366.509 3.299 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000429079776 500000024 /nfs/dbraw/zinc/00/00/24/500000024.db2.gz BFMXWCPXZXJNTP-AXIYNFMDSA-N 2 1 372.557 3.242 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)Nc2nc3c(s2)C[N@H+](C(C)(C)C)CC3)cn1 ZINC000425038432 500001628 /nfs/dbraw/zinc/00/16/28/500001628.db2.gz LSWVNNLEKGBDMY-UHFFFAOYSA-N 2 1 373.526 3.009 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000417224251 500009905 /nfs/dbraw/zinc/00/99/05/500009905.db2.gz RLALYTIGNFRKCL-HXUWFJFHSA-N 2 1 372.557 3.392 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000413837429 500071928 /nfs/dbraw/zinc/07/19/28/500071928.db2.gz AHMVVSAKVDLVNZ-QFIPXVFZSA-N 2 1 363.505 3.459 20 0 FGADMP Cc1cnccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000582281770 506175113 /nfs/dbraw/zinc/17/51/13/506175113.db2.gz IUCSKGJYPCOPIF-QFIPXVFZSA-N 2 1 365.521 3.408 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)CC2(OC)CCC2)CC1 ZINC000429514795 500091447 /nfs/dbraw/zinc/09/14/47/500091447.db2.gz AJRLELDWBMOPSV-LJQANCHMSA-N 2 1 359.558 3.261 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541384 500097340 /nfs/dbraw/zinc/09/73/40/500097340.db2.gz OUKANZWKCDBLHP-HUUCEWRRSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000429541384 500097343 /nfs/dbraw/zinc/09/73/43/500097343.db2.gz OUKANZWKCDBLHP-HUUCEWRRSA-N 2 1 361.313 3.149 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000425446228 500108206 /nfs/dbraw/zinc/10/82/06/500108206.db2.gz PWFCGWDFHSERNK-FCHUYYIVSA-N 2 1 352.522 3.480 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000425446228 500108209 /nfs/dbraw/zinc/10/82/09/500108209.db2.gz PWFCGWDFHSERNK-FCHUYYIVSA-N 2 1 352.522 3.480 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@@H](CN3CC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692791 500125346 /nfs/dbraw/zinc/12/53/46/500125346.db2.gz WLCDRRMYVCCBPN-XZOQPEGZSA-N 2 1 365.521 3.464 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CC[C@H](Nc4ccccc4)C3)C2)cc1 ZINC000429692791 500125351 /nfs/dbraw/zinc/12/53/51/500125351.db2.gz WLCDRRMYVCCBPN-XZOQPEGZSA-N 2 1 365.521 3.464 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C2CC2)c(F)c1 ZINC000421838580 500161694 /nfs/dbraw/zinc/16/16/94/500161694.db2.gz VOQOJBGZHRSYML-OXJNMPFZSA-N 2 1 350.478 3.112 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000416970512 500170861 /nfs/dbraw/zinc/17/08/61/500170861.db2.gz NSKYCEKVMQEVAJ-FQEVSTJZSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000416976125 500172543 /nfs/dbraw/zinc/17/25/43/500172543.db2.gz NWVUMXPOFRTUFI-NQIIRXRSSA-N 2 1 372.557 3.392 20 0 FGADMP C[C@H](CCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000416979989 500173879 /nfs/dbraw/zinc/17/38/79/500173879.db2.gz ASROWCJEQBTTFY-FGTMMUONSA-N 2 1 360.546 3.091 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997865 500179901 /nfs/dbraw/zinc/17/99/01/500179901.db2.gz WIIARWGKWOFUIJ-IIMDRIAPSA-N 2 1 372.557 3.043 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000417868444 500187755 /nfs/dbraw/zinc/18/77/55/500187755.db2.gz CPWRLNZXEUZSOA-UHFFFAOYSA-N 2 1 374.573 3.498 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)[N@H+](C)Cc1ccccc1 ZINC000417934494 500200689 /nfs/dbraw/zinc/20/06/89/500200689.db2.gz FNFAFECGLGDHHK-GOSISDBHSA-N 2 1 353.510 3.389 20 0 FGADMP C[C@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)[N@@H+](C)Cc1ccccc1 ZINC000417934494 500200691 /nfs/dbraw/zinc/20/06/91/500200691.db2.gz FNFAFECGLGDHHK-GOSISDBHSA-N 2 1 353.510 3.389 20 0 FGADMP C[C@@H]1C[C@@H](NCc2ccc(F)cc2I)CC[N@H+]1C ZINC000417959123 500204778 /nfs/dbraw/zinc/20/47/78/500204778.db2.gz LKKHPAJBLSYUAY-MFKMUULPSA-N 2 1 362.230 3.003 20 0 FGADMP C[C@@H](NC(=O)NCC[NH2+]C1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984296 500209190 /nfs/dbraw/zinc/20/91/90/500209190.db2.gz DGIYHYTZGLIXKE-MSOLQXFVSA-N 2 1 364.578 3.251 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000430217858 500210904 /nfs/dbraw/zinc/21/09/04/500210904.db2.gz LOHNUQXCLWBBBE-NRFANRHFSA-N 2 1 360.546 3.023 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000418036930 500218237 /nfs/dbraw/zinc/21/82/37/500218237.db2.gz XAPJIJGQHCHKAA-UHFFFAOYSA-N 2 1 366.509 3.301 20 0 FGADMP O[C@H](CN[C@@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296127 506180172 /nfs/dbraw/zinc/18/01/72/506180172.db2.gz RGGOVPOXNPQNDT-YMPZKCBVSA-N 2 1 366.505 3.310 20 0 FGADMP O[C@H](CN[C@@H]1CC[N@H+]2CCCC[C@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296127 506180175 /nfs/dbraw/zinc/18/01/75/506180175.db2.gz RGGOVPOXNPQNDT-YMPZKCBVSA-N 2 1 366.505 3.310 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000418185258 500244831 /nfs/dbraw/zinc/24/48/31/500244831.db2.gz QWTOEIQTTBQELV-QILLFSRXSA-N 2 1 366.937 3.102 20 0 FGADMP Cc1cc(CNC(=O)N(CCC[NH3+])CC2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000418198997 500248004 /nfs/dbraw/zinc/24/80/04/500248004.db2.gz MPPIHDKQKATKCI-UHFFFAOYSA-N 2 1 373.545 3.041 20 0 FGADMP Cc1cc(CNC(=O)NCC[NH2+]C2CCCCCC2)cc(N2CCCC2)[nH+]1 ZINC000418204600 500248872 /nfs/dbraw/zinc/24/88/72/500248872.db2.gz XSOIWLTULOXRSW-UHFFFAOYSA-N 2 1 373.545 3.102 20 0 FGADMP CCCN(C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000418227717 500252930 /nfs/dbraw/zinc/25/29/30/500252930.db2.gz AMPSGUQIPPEUNE-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000430740695 500278084 /nfs/dbraw/zinc/27/80/84/500278084.db2.gz BZKSUCXRBQXGBL-XMSQKQJNSA-N 2 1 365.521 3.277 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719926 500289926 /nfs/dbraw/zinc/28/99/26/500289926.db2.gz RQDAAQSGHGNCLW-MYGLTJDJSA-N 2 1 359.558 3.206 20 0 FGADMP COc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725987 500290540 /nfs/dbraw/zinc/29/05/40/500290540.db2.gz CXFYBWQIRCUMNE-XUVXKRRUSA-N 2 1 374.525 3.263 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1)c1c[nH+]ccc1N ZINC000422738025 500292322 /nfs/dbraw/zinc/29/23/22/500292322.db2.gz YGVNCOHZPPAEHC-QWHCGFSZSA-N 2 1 366.387 3.322 20 0 FGADMP CC1CC[NH+](Cc2cccc(CN[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000422745364 500293392 /nfs/dbraw/zinc/29/33/92/500293392.db2.gz UWVWOFBKLGIZRN-XPWALMASSA-N 2 1 371.569 3.165 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](c1ccc(F)cc1)c1cccc(S(C)(=O)=O)c1 ZINC000422784516 500297561 /nfs/dbraw/zinc/29/75/61/500297561.db2.gz IPBUQICDOWXSGR-CKFHNAJUSA-N 2 1 364.486 3.034 20 0 FGADMP FC(F)(F)COc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422825360 500302793 /nfs/dbraw/zinc/30/27/93/500302793.db2.gz JPEYWACSESHSPP-ARFHVFGLSA-N 2 1 357.420 3.423 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000418660604 500303641 /nfs/dbraw/zinc/30/36/41/500303641.db2.gz OFEGXMZMKPTDGY-GIVPXCGWSA-N 2 1 370.541 3.125 20 0 FGADMP CC(C)C[C@](C)(C[NH3+])NC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422867318 500307416 /nfs/dbraw/zinc/30/74/16/500307416.db2.gz SDMZFBONKYUCHY-LAUBAEHRSA-N 2 1 360.546 3.373 20 0 FGADMP C[C@@H]1C[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)CC[C@H]1[NH3+] ZINC000430932325 500309101 /nfs/dbraw/zinc/30/91/01/500309101.db2.gz DZMUFHBPDSURGG-MDYRTPRTSA-N 2 1 357.523 3.013 20 0 FGADMP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892053 500311661 /nfs/dbraw/zinc/31/16/61/500311661.db2.gz LWSXYYQAJKBPSC-LMVRJCEZSA-N 2 1 359.558 3.021 20 0 FGADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422900382 500313151 /nfs/dbraw/zinc/31/31/51/500313151.db2.gz QGKUNDKBHGMTIX-LVXYXVKQSA-N 2 1 365.477 3.139 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CCCc2ccccc2)C1=O ZINC000422922562 500316932 /nfs/dbraw/zinc/31/69/32/500316932.db2.gz UALDBUNWIPXWFJ-NRSPTQNISA-N 2 1 357.542 3.121 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422988394 500327879 /nfs/dbraw/zinc/32/78/79/500327879.db2.gz IYOPZFOQBVIIMD-CJNGLKHVSA-N 2 1 353.388 3.027 20 0 FGADMP N[C@@H]1C[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020086 500331699 /nfs/dbraw/zinc/33/16/99/500331699.db2.gz YQTPSKAALGTHBM-PKTZIBPZSA-N 2 1 365.521 3.438 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000426889249 500333751 /nfs/dbraw/zinc/33/37/51/500333751.db2.gz LWKCIJHLLBQGDU-UIFIKXQLSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889249 500333754 /nfs/dbraw/zinc/33/37/54/500333754.db2.gz LWKCIJHLLBQGDU-UIFIKXQLSA-N 2 1 355.526 3.125 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC[NH+]1Cc1ccccc1 ZINC000426889249 500333756 /nfs/dbraw/zinc/33/37/56/500333756.db2.gz LWKCIJHLLBQGDU-UIFIKXQLSA-N 2 1 355.526 3.125 20 0 FGADMP Brc1ccc(Br)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000423052240 500335783 /nfs/dbraw/zinc/33/57/83/500335783.db2.gz PHEPGPSZZTWNLW-LBPRGKRZSA-N 2 1 362.109 3.443 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000423087319 500340646 /nfs/dbraw/zinc/34/06/46/500340646.db2.gz NWFZBLYKKWNUIT-JSGCOSHPSA-N 2 1 361.287 3.186 20 0 FGADMP CC(C)CCn1nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000423148052 500348594 /nfs/dbraw/zinc/34/85/94/500348594.db2.gz FCJLOKPOWRBXED-VAMGGRTRSA-N 2 1 370.541 3.329 20 0 FGADMP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423169269 500350507 /nfs/dbraw/zinc/35/05/07/500350507.db2.gz IUBKERBGFDFPMD-OKZBNKHCSA-N 2 1 370.946 3.144 20 0 FGADMP C[C@@H](NC1CC[NH+](Cc2cccc(Br)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000423175825 500352083 /nfs/dbraw/zinc/35/20/83/500352083.db2.gz FGJQQSJDYVVARO-RDTXWAMCSA-N 2 1 366.347 3.144 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NCCn2cc[nH+]c2C)[NH+](CC)CC)cc1 ZINC000431284954 500358607 /nfs/dbraw/zinc/35/86/07/500358607.db2.gz SEPOCMMPHCTAFX-FQEVSTJZSA-N 2 1 371.529 3.136 20 0 FGADMP CC[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000423336793 500365301 /nfs/dbraw/zinc/36/53/01/500365301.db2.gz VDIORTDBBYNOAF-HRAATJIYSA-N 2 1 351.494 3.273 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000423353590 500366913 /nfs/dbraw/zinc/36/69/13/500366913.db2.gz LYMWEZDDMUJSGB-UWJYYQICSA-N 2 1 351.494 3.491 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000427274793 500376481 /nfs/dbraw/zinc/37/64/81/500376481.db2.gz NROGTGJLDUIEBF-RBUKOAKNSA-N 2 1 357.542 3.457 20 0 FGADMP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423485283 500377829 /nfs/dbraw/zinc/37/78/29/500377829.db2.gz AYSWLYJZSADYBW-NHYWBVRUSA-N 2 1 359.695 3.058 20 0 FGADMP Brc1ccc2c(c1)CCCC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423494451 500379464 /nfs/dbraw/zinc/37/94/64/500379464.db2.gz SBQGUCDFFXYMCA-RDJZCZTQSA-N 2 1 353.304 3.185 20 0 FGADMP COc1cc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1SC ZINC000423509694 500380371 /nfs/dbraw/zinc/38/03/71/500380371.db2.gz LWVNDCKCVLRPFU-ZLPCBKJTSA-N 2 1 363.571 3.284 20 0 FGADMP C[C@@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000419696436 500390367 /nfs/dbraw/zinc/39/03/67/500390367.db2.gz VEMHSOYASDBARV-RTBURBONSA-N 2 1 356.558 3.289 20 0 FGADMP [NH3+]CC[C@H]1CCCCN1C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423637263 500391106 /nfs/dbraw/zinc/39/11/06/500391106.db2.gz RDURQAVKSQPPER-ZWKOTPCHSA-N 2 1 358.530 3.223 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cc(-c2ccccc2)n[nH]1 ZINC000579519876 506193449 /nfs/dbraw/zinc/19/34/49/506193449.db2.gz VEWIVWOKAJJMTR-UHFFFAOYSA-N 2 1 365.481 3.092 20 0 FGADMP CC[C@@H]1CN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423819370 500405929 /nfs/dbraw/zinc/40/59/29/500405929.db2.gz FUKJKHXKVQSPJB-GHTZIAJQSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000427598041 500410297 /nfs/dbraw/zinc/41/02/97/500410297.db2.gz AUMSTUHIVSQCAA-UTKZUKDTSA-N 2 1 351.494 3.046 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)c1ccc(F)cc1 ZINC000431731664 500416646 /nfs/dbraw/zinc/41/66/46/500416646.db2.gz JIYKHFXOKXJRLK-PMACEKPBSA-N 2 1 361.505 3.342 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000431803270 500426826 /nfs/dbraw/zinc/42/68/26/500426826.db2.gz XJOMBJKKXPIBAW-IBGZPJMESA-N 2 1 361.555 3.438 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845268 500433060 /nfs/dbraw/zinc/43/30/60/500433060.db2.gz NSWJGPIARHQCKU-HLAWJBBLSA-N 2 1 355.526 3.155 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C(=O)c3ccccc3)CC2)cc1 ZINC000420300091 500436941 /nfs/dbraw/zinc/43/69/41/500436941.db2.gz HCKWLHIJKKOJQR-HXUWFJFHSA-N 2 1 352.478 3.332 20 0 FGADMP C[C@H]1SCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420309904 500439121 /nfs/dbraw/zinc/43/91/21/500439121.db2.gz UIVMUUNRERRXKB-SEVLPDGMSA-N 2 1 356.535 3.096 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)cc1 ZINC000420317825 500441135 /nfs/dbraw/zinc/44/11/35/500441135.db2.gz NGHGNKGDWREZMC-FPOVZHCZSA-N 2 1 353.510 3.338 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2coc(-c3cccc(Cl)c3)n2)CC1 ZINC000420325312 500441483 /nfs/dbraw/zinc/44/14/83/500441483.db2.gz CVXFCQXRMXBSHD-MSOLQXFVSA-N 2 1 361.873 3.323 20 0 FGADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420324579 500441841 /nfs/dbraw/zinc/44/18/41/500441841.db2.gz VRNOFYDACCVYJW-FKBYEOEOSA-N 2 1 354.494 3.153 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330879 500442347 /nfs/dbraw/zinc/44/23/47/500442347.db2.gz IHEPZQMFTZXLCE-RWMBFGLXSA-N 2 1 356.297 3.252 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(C)n1CC(F)(F)F ZINC000420336967 500443839 /nfs/dbraw/zinc/44/38/39/500443839.db2.gz MTFNTBBBIFXAHQ-QGZVFWFLSA-N 2 1 371.447 3.314 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1 ZINC000431926185 500444189 /nfs/dbraw/zinc/44/41/89/500444189.db2.gz VJIUXNURPYEVIT-LEWJYISDSA-N 2 1 359.558 3.320 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000420346937 500446283 /nfs/dbraw/zinc/44/62/83/500446283.db2.gz ZMPMSLODWYFDEN-KGLIPLIRSA-N 2 1 353.869 3.129 20 0 FGADMP CC(C)(C)C[C@@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(F)cc1 ZINC000420355954 500446971 /nfs/dbraw/zinc/44/69/71/500446971.db2.gz FTQOTAWPQQKEGU-QZTJIDSGSA-N 2 1 363.521 3.397 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)cc1Cl ZINC000420357899 500447022 /nfs/dbraw/zinc/44/70/22/500447022.db2.gz IBSVCAOMYGMSTI-XHDPSFHLSA-N 2 1 358.313 3.148 20 0 FGADMP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)cc1Cl ZINC000420357895 500447061 /nfs/dbraw/zinc/44/70/61/500447061.db2.gz IBSVCAOMYGMSTI-IAQYHMDHSA-N 2 1 358.313 3.148 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420375395 500450330 /nfs/dbraw/zinc/45/03/30/500450330.db2.gz SWILZYKLOFJNNA-WWEWDKITSA-N 2 1 371.550 3.320 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CC[NH+]([C@H](C)c3ccsc3)CC2)cc1 ZINC000420374496 500450508 /nfs/dbraw/zinc/45/05/08/500450508.db2.gz NUIUHRIWRDJPEM-APWZRJJASA-N 2 1 359.539 3.178 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404586 500456205 /nfs/dbraw/zinc/45/62/05/500456205.db2.gz MGEVZCBSKFNXJI-MXTNKPTQSA-N 2 1 353.510 3.322 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000420404586 500456208 /nfs/dbraw/zinc/45/62/08/500456208.db2.gz MGEVZCBSKFNXJI-MXTNKPTQSA-N 2 1 353.510 3.322 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Cl)cc1F ZINC000420408236 500456912 /nfs/dbraw/zinc/45/69/12/500456912.db2.gz VWUJFIRJYDZWIE-GUYCJALGSA-N 2 1 353.869 3.272 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000570564357 506196953 /nfs/dbraw/zinc/19/69/53/506196953.db2.gz NCUOWNUYEWYZCR-LJQANCHMSA-N 2 1 360.473 3.195 20 0 FGADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCN3CC[N@@H+](C)C[C@@H]3c3ccccc3)C[C@H]2C1 ZINC000424275150 500479878 /nfs/dbraw/zinc/47/98/78/500479878.db2.gz ZVVCOZQLYAMTKX-ISBRNDMJSA-N 2 1 371.569 3.158 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)Nc2nc(CN3CCC(C)CC3)cs2)C1 ZINC000428215167 500482068 /nfs/dbraw/zinc/48/20/68/500482068.db2.gz JUKSYKOZTDRMJC-CABCVRRESA-N 2 1 350.532 3.044 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCOc1cccc(Br)c1)CC[NH2+]CC2 ZINC000424293642 500482105 /nfs/dbraw/zinc/48/21/05/500482105.db2.gz PJQJWLKLSNDKDU-CQSZACIVSA-N 2 1 353.304 3.292 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1C(F)(F)F)CC[NH2+]CC2 ZINC000424297514 500483568 /nfs/dbraw/zinc/48/35/68/500483568.db2.gz SUSXLQOTKLDLQI-CYBMUJFWSA-N 2 1 355.404 3.108 20 0 FGADMP CC(C)O[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000428283949 500491621 /nfs/dbraw/zinc/49/16/21/500491621.db2.gz CJIMOGOEZVZOAU-ILWGZMRPSA-N 2 1 359.558 3.111 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(-c3ccc(F)cc3Cl)nn1)CC[NH2+]CC2 ZINC000424380129 500494350 /nfs/dbraw/zinc/49/43/50/500494350.db2.gz PLEBHWXCQNGTIF-CYBMUJFWSA-N 2 1 363.868 3.024 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2cnc(C)cn2)CC1 ZINC000428322460 500495616 /nfs/dbraw/zinc/49/56/16/500495616.db2.gz UENUXJDPLNPIJW-SJORKVTESA-N 2 1 371.504 3.478 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCO1 ZINC000432357553 500504361 /nfs/dbraw/zinc/50/43/61/500504361.db2.gz LZOFTAXFENQXHI-KRWDZBQOSA-N 2 1 362.514 3.232 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCO1 ZINC000432357553 500504364 /nfs/dbraw/zinc/50/43/64/500504364.db2.gz LZOFTAXFENQXHI-KRWDZBQOSA-N 2 1 362.514 3.232 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(F)c(Br)c2)CCCO1 ZINC000432365163 500505788 /nfs/dbraw/zinc/50/57/88/500505788.db2.gz QVARZJBNBBVQCM-ZDUSSCGKSA-N 2 1 359.283 3.179 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(F)c(Br)c2)CCCO1 ZINC000432365163 500505790 /nfs/dbraw/zinc/50/57/90/500505790.db2.gz QVARZJBNBBVQCM-ZDUSSCGKSA-N 2 1 359.283 3.179 20 0 FGADMP C[N@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435596 500510309 /nfs/dbraw/zinc/51/03/09/500510309.db2.gz ZVVAGXUMEXQDIC-ZRBLBEILSA-N 2 1 350.506 3.359 20 0 FGADMP C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435596 500510311 /nfs/dbraw/zinc/51/03/11/500510311.db2.gz ZVVAGXUMEXQDIC-ZRBLBEILSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435596 500510312 /nfs/dbraw/zinc/51/03/12/500510312.db2.gz ZVVAGXUMEXQDIC-ZRBLBEILSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@@H]1c1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435596 500510313 /nfs/dbraw/zinc/51/03/13/500510313.db2.gz ZVVAGXUMEXQDIC-ZRBLBEILSA-N 2 1 350.506 3.359 20 0 FGADMP OCC[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000428462382 500513188 /nfs/dbraw/zinc/51/31/88/500513188.db2.gz SVDBSEJMRWDDMZ-WBADGQHESA-N 2 1 372.553 3.056 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420948880 500538597 /nfs/dbraw/zinc/53/85/97/500538597.db2.gz PXBLKZNNYOYNLV-UHFFFAOYSA-N 3 1 359.558 3.073 20 0 FGADMP c1ccc(OC[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420950517 500539350 /nfs/dbraw/zinc/53/93/50/500539350.db2.gz RKMRZTMFUXUQNA-JOCHJYFZSA-N 2 1 366.505 3.420 20 0 FGADMP c1ccc(OC[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)cc1 ZINC000420950517 500539352 /nfs/dbraw/zinc/53/93/52/500539352.db2.gz RKMRZTMFUXUQNA-JOCHJYFZSA-N 2 1 366.505 3.420 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CC[C@H](C)OCc3ccccc3)CC2)CC1 ZINC000420975932 500545208 /nfs/dbraw/zinc/54/52/08/500545208.db2.gz GIYMJRGMBOHZJA-NRFANRHFSA-N 2 1 373.585 3.474 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc4ncccc4c3)CC2)CC1 ZINC000420976835 500545622 /nfs/dbraw/zinc/54/56/22/500545622.db2.gz HHFYKJNLCUFNPU-UHFFFAOYSA-N 2 1 352.526 3.227 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766690 500622557 /nfs/dbraw/zinc/62/25/57/500622557.db2.gz OTHPNAKHYFNBRH-ZOCZFRKYSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766690 500622558 /nfs/dbraw/zinc/62/25/58/500622558.db2.gz OTHPNAKHYFNBRH-ZOCZFRKYSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000442880699 500638586 /nfs/dbraw/zinc/63/85/86/500638586.db2.gz XVSQVHVCTYFCMD-CQSZACIVSA-N 2 1 354.336 3.126 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000442933050 500649105 /nfs/dbraw/zinc/64/91/05/500649105.db2.gz ZLVIAUATZOFEIH-QAPCUYQASA-N 2 1 352.906 3.459 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)C1 ZINC000443056836 500670291 /nfs/dbraw/zinc/67/02/91/500670291.db2.gz DJPYBNXMJSCOLI-GOSISDBHSA-N 2 1 367.493 3.265 20 0 FGADMP C[C@@H](c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000443203551 500696016 /nfs/dbraw/zinc/69/60/16/500696016.db2.gz MDKMYBDCPHBOOI-ZNMIVQPWSA-N 2 1 359.474 3.006 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000433555518 500711018 /nfs/dbraw/zinc/71/10/18/500711018.db2.gz UUQVFYLYLQNWLX-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2ccoc2c1 ZINC000443376311 500715896 /nfs/dbraw/zinc/71/58/96/500715896.db2.gz WMBWZTZOUPRBHH-GOSISDBHSA-N 2 1 358.486 3.313 20 0 FGADMP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000438090713 500736636 /nfs/dbraw/zinc/73/66/36/500736636.db2.gz VNUGJKWNGHZQST-SFHVURJKSA-N 2 1 355.501 3.294 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619483 500745838 /nfs/dbraw/zinc/74/58/38/500745838.db2.gz QQMGVEFISVVENE-WMZOPIPTSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619483 500745841 /nfs/dbraw/zinc/74/58/41/500745841.db2.gz QQMGVEFISVVENE-WMZOPIPTSA-N 2 1 370.459 3.273 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000443619483 500745842 /nfs/dbraw/zinc/74/58/42/500745842.db2.gz QQMGVEFISVVENE-WMZOPIPTSA-N 2 1 370.459 3.273 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000438213203 500755641 /nfs/dbraw/zinc/75/56/41/500755641.db2.gz IRCMORKNJMHTBW-IFMALSPDSA-N 2 1 357.542 3.029 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433945576 500769100 /nfs/dbraw/zinc/76/91/00/500769100.db2.gz IKEGBOGMBRMBKU-OAQYLSRUSA-N 2 1 370.541 3.099 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000438344941 500774479 /nfs/dbraw/zinc/77/44/79/500774479.db2.gz KIPZDFOUNRVFHL-AABGKKOBSA-N 2 1 362.562 3.052 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000438344941 500774482 /nfs/dbraw/zinc/77/44/82/500774482.db2.gz KIPZDFOUNRVFHL-AABGKKOBSA-N 2 1 362.562 3.052 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438344941 500774484 /nfs/dbraw/zinc/77/44/84/500774484.db2.gz KIPZDFOUNRVFHL-AABGKKOBSA-N 2 1 362.562 3.052 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(C(F)(F)F)s2)c1 ZINC000443975308 500785832 /nfs/dbraw/zinc/78/58/32/500785832.db2.gz ZOLJCVUHEHNJJI-UHFFFAOYSA-N 2 1 359.417 3.392 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829991 500824861 /nfs/dbraw/zinc/82/48/61/500824861.db2.gz SWJBPNSIPRXERV-RJJVWVDVSA-N 2 1 360.542 3.053 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[nH]c1C ZINC000602573066 506220941 /nfs/dbraw/zinc/22/09/41/506220941.db2.gz XZQFMSVRNVVWKY-ZDUSSCGKSA-N 2 1 352.438 3.455 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000439203120 500869467 /nfs/dbraw/zinc/86/94/67/500869467.db2.gz VRFGAHKOIJOVGK-LJQANCHMSA-N 2 1 352.567 3.061 20 0 FGADMP COc1cccc2c(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cccc12 ZINC000449024665 500901710 /nfs/dbraw/zinc/90/17/10/500901710.db2.gz CSNKOLHONLDXII-KRWDZBQOSA-N 2 1 356.510 3.373 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCCN2CCOCC2)CC1 ZINC000449082436 500920482 /nfs/dbraw/zinc/92/04/82/500920482.db2.gz NJQQTYRJLIWHMS-UHFFFAOYSA-N 2 1 353.595 3.368 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095876 500924076 /nfs/dbraw/zinc/92/40/76/500924076.db2.gz CEILHYIKIGIGOQ-XDNAFOTISA-N 2 1 366.571 3.150 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449095876 500924079 /nfs/dbraw/zinc/92/40/79/500924079.db2.gz CEILHYIKIGIGOQ-XDNAFOTISA-N 2 1 366.571 3.150 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449107444 500926302 /nfs/dbraw/zinc/92/63/02/500926302.db2.gz MQBFANNUHMGSKQ-UEXGIBASSA-N 2 1 358.526 3.487 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)N(C)C2CCCCC2)CC1 ZINC000449178698 500941968 /nfs/dbraw/zinc/94/19/68/500941968.db2.gz UGBRYJZEWWXDBN-IBGZPJMESA-N 2 1 371.569 3.463 20 0 FGADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449234627 500953687 /nfs/dbraw/zinc/95/36/87/500953687.db2.gz QWXXHFWOJPJNRB-JOCHJYFZSA-N 2 1 368.525 3.245 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449234627 500953691 /nfs/dbraw/zinc/95/36/91/500953691.db2.gz QWXXHFWOJPJNRB-JOCHJYFZSA-N 2 1 368.525 3.245 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449234582 500954042 /nfs/dbraw/zinc/95/40/42/500954042.db2.gz QQNMWWZSBFJIAG-LJQANCHMSA-N 2 1 351.450 3.074 20 0 FGADMP c1cn(-c2csc(C[N@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c2)cn1 ZINC000435370754 500961485 /nfs/dbraw/zinc/96/14/85/500961485.db2.gz JQFPHUZPECBFFV-SFHVURJKSA-N 2 1 367.522 3.473 20 0 FGADMP c1cn(-c2csc(C[N@@H+](Cc3ccccn3)[C@H]3CCC[NH2+]CC3)c2)cn1 ZINC000435370754 500961487 /nfs/dbraw/zinc/96/14/87/500961487.db2.gz JQFPHUZPECBFFV-SFHVURJKSA-N 2 1 367.522 3.473 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000435373376 500962239 /nfs/dbraw/zinc/96/22/39/500962239.db2.gz MXQZLOGTJLXSRK-MJGOQNOKSA-N 2 1 364.493 3.391 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000435390976 500966683 /nfs/dbraw/zinc/96/66/83/500966683.db2.gz UZGMYKUIPCYYQA-GOSISDBHSA-N 2 1 367.493 3.379 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000435390976 500966686 /nfs/dbraw/zinc/96/66/86/500966686.db2.gz UZGMYKUIPCYYQA-GOSISDBHSA-N 2 1 367.493 3.379 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]c1C ZINC000449296310 500969571 /nfs/dbraw/zinc/96/95/71/500969571.db2.gz YOOBJXZLPQFPKT-SFHVURJKSA-N 2 1 355.482 3.112 20 0 FGADMP COc1ccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435616474 501002149 /nfs/dbraw/zinc/00/21/49/501002149.db2.gz MECKZVLMXQSRCH-IBGZPJMESA-N 2 1 355.482 3.113 20 0 FGADMP COc1ccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435616474 501002152 /nfs/dbraw/zinc/00/21/52/501002152.db2.gz MECKZVLMXQSRCH-IBGZPJMESA-N 2 1 355.482 3.113 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617249 501002354 /nfs/dbraw/zinc/00/23/54/501002354.db2.gz VOPDLHFABMNRJH-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435617249 501002358 /nfs/dbraw/zinc/00/23/58/501002358.db2.gz VOPDLHFABMNRJH-WIYYLYMNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+](CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435615944 501002396 /nfs/dbraw/zinc/00/23/96/501002396.db2.gz JHIPRFZQWJQBGA-LJQANCHMSA-N 2 1 373.541 3.088 20 0 FGADMP CC[N@@H+](CC(=O)NCc1ccccc1OC1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435615944 501002400 /nfs/dbraw/zinc/00/24/00/501002400.db2.gz JHIPRFZQWJQBGA-LJQANCHMSA-N 2 1 373.541 3.088 20 0 FGADMP CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435614945 501002632 /nfs/dbraw/zinc/00/26/32/501002632.db2.gz NZRFUIQPXGOXIQ-INIZCTEOSA-N 2 1 368.319 3.242 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500710 501019918 /nfs/dbraw/zinc/01/99/18/501019918.db2.gz NFJBIVKLQXBQEG-VSKRKVRLSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500710 501019921 /nfs/dbraw/zinc/01/99/21/501019921.db2.gz NFJBIVKLQXBQEG-VSKRKVRLSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCC[C@@H](C[N@@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500710 501019924 /nfs/dbraw/zinc/01/99/24/501019924.db2.gz NFJBIVKLQXBQEG-VSKRKVRLSA-N 2 1 363.590 3.469 20 0 FGADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCC[C@@H](C[N@H+]3CCCN(C(C)=O)CC3)C2)C1 ZINC000449500710 501019926 /nfs/dbraw/zinc/01/99/26/501019926.db2.gz NFJBIVKLQXBQEG-VSKRKVRLSA-N 2 1 363.590 3.469 20 0 FGADMP CCC[NH+]1CCC(NC2CC[NH+](Cc3ccc(NC(C)=O)cc3)CC2)CC1 ZINC000449523877 501024543 /nfs/dbraw/zinc/02/45/43/501024543.db2.gz MHMJJPUHQQUQIX-UHFFFAOYSA-N 2 1 372.557 3.073 20 0 FGADMP C[C@H](C[S@](C)=O)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000602608040 506230120 /nfs/dbraw/zinc/23/01/20/506230120.db2.gz LSDVJTREPINVDV-PWAGRJGVSA-N 2 1 350.572 3.281 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000449557569 501032779 /nfs/dbraw/zinc/03/27/79/501032779.db2.gz UZNZMRBFURXMHP-XQBPLPMBSA-N 2 1 371.569 3.200 20 0 FGADMP C[C@H](c1ccco1)N(CC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000440903256 501061668 /nfs/dbraw/zinc/06/16/68/501061668.db2.gz LNCOGYWTYILTPV-GOSISDBHSA-N 2 1 367.493 3.149 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1)C1CC[NH+](C)CC1 ZINC000449687546 501062966 /nfs/dbraw/zinc/06/29/66/501062966.db2.gz PUYGFOVYMAPJAP-QFIPXVFZSA-N 2 1 357.542 3.220 20 0 FGADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCCSc1ccccc1Cl ZINC000436061543 501064185 /nfs/dbraw/zinc/06/41/85/501064185.db2.gz QDDIKPVAEWFCNJ-OAHLLOKOSA-N 2 1 369.962 3.142 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000449728179 501069892 /nfs/dbraw/zinc/06/98/92/501069892.db2.gz UBEMGTNWMMISDS-GHTZIAJQSA-N 2 1 351.494 3.176 20 0 FGADMP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000449756225 501077408 /nfs/dbraw/zinc/07/74/08/501077408.db2.gz OYVXRZBDSKVLSI-YDZRNGNQSA-N 2 1 367.459 3.233 20 0 FGADMP COCCC1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCCCC1 ZINC000436238345 501093575 /nfs/dbraw/zinc/09/35/75/501093575.db2.gz LMBLIEVXUHXJCG-QFIPXVFZSA-N 2 1 360.542 3.200 20 0 FGADMP COCCC1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000436238345 501093577 /nfs/dbraw/zinc/09/35/77/501093577.db2.gz LMBLIEVXUHXJCG-QFIPXVFZSA-N 2 1 360.542 3.200 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000436286920 501101532 /nfs/dbraw/zinc/10/15/32/501101532.db2.gz CFPCMHAVFYEWTD-XLIONFOSSA-N 2 1 362.489 3.154 20 0 FGADMP C[N@@H+](CCN1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1)Cc1ccccc1 ZINC000450392029 501109823 /nfs/dbraw/zinc/10/98/23/501109823.db2.gz MVZRKGPUHUMBRV-IBGZPJMESA-N 2 1 351.485 3.171 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOc1cccc2ccccc21 ZINC000441260050 501110114 /nfs/dbraw/zinc/11/01/14/501110114.db2.gz FKUPLLGMJBIPHZ-KAGYGMCKSA-N 2 1 354.494 3.402 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C[N@H+]1C1CC1 ZINC000441287919 501114366 /nfs/dbraw/zinc/11/43/66/501114366.db2.gz RYQJEZQMTFEEND-MSOLQXFVSA-N 2 1 362.562 3.100 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2csc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000441358320 501126841 /nfs/dbraw/zinc/12/68/41/501126841.db2.gz ODIJPZAINYZSEW-UHFFFAOYSA-N 2 1 362.518 3.065 20 0 FGADMP Fc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1C[NH+]1CC[C@@]2(CCOC2)C1 ZINC000450484850 501133471 /nfs/dbraw/zinc/13/34/71/501133471.db2.gz NIGQVDOOAPVXFD-FGZHOGPDSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@@]3(CCOC3)C2)cc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000450484850 501133476 /nfs/dbraw/zinc/13/34/76/501133476.db2.gz NIGQVDOOAPVXFD-FGZHOGPDSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@@]3(CCOC3)C2)cc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000450484850 501133479 /nfs/dbraw/zinc/13/34/79/501133479.db2.gz NIGQVDOOAPVXFD-FGZHOGPDSA-N 2 1 374.500 3.051 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)c2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000450529299 501146238 /nfs/dbraw/zinc/14/62/38/501146238.db2.gz TZRUBLXUEQIWLX-UHFFFAOYSA-N 2 1 369.513 3.242 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C[C@@H](C)O1 ZINC000450648173 501175330 /nfs/dbraw/zinc/17/53/30/501175330.db2.gz KBECGNRPIVHWMU-KURKYZTESA-N 2 1 374.516 3.402 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)c3ccccc3)C1)CCCC2 ZINC000450784737 501208263 /nfs/dbraw/zinc/20/82/63/501208263.db2.gz KPSLUZDXISANAX-DKZVUGQWSA-N 2 1 353.510 3.482 20 0 FGADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)c3ccccc3)C1)CCCC2 ZINC000450784737 501208266 /nfs/dbraw/zinc/20/82/66/501208266.db2.gz KPSLUZDXISANAX-DKZVUGQWSA-N 2 1 353.510 3.482 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018481 501239430 /nfs/dbraw/zinc/23/94/30/501239430.db2.gz MQQKWBHJLBFWBK-RBUKOAKNSA-N 2 1 358.530 3.009 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018481 501239431 /nfs/dbraw/zinc/23/94/31/501239431.db2.gz MQQKWBHJLBFWBK-RBUKOAKNSA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018481 501239432 /nfs/dbraw/zinc/23/94/32/501239432.db2.gz MQQKWBHJLBFWBK-RBUKOAKNSA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018481 501239433 /nfs/dbraw/zinc/23/94/33/501239433.db2.gz MQQKWBHJLBFWBK-RBUKOAKNSA-N 2 1 358.530 3.009 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110751 501271685 /nfs/dbraw/zinc/27/16/85/501271685.db2.gz OIMCPZDARSPLHT-YADHBBJMSA-N 2 1 369.553 3.442 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529104 501313648 /nfs/dbraw/zinc/31/36/48/501313648.db2.gz GJSGVRFPUTXWOE-BAGYTPMASA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529104 501313650 /nfs/dbraw/zinc/31/36/50/501313650.db2.gz GJSGVRFPUTXWOE-BAGYTPMASA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529104 501313652 /nfs/dbraw/zinc/31/36/52/501313652.db2.gz GJSGVRFPUTXWOE-BAGYTPMASA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529104 501313653 /nfs/dbraw/zinc/31/36/53/501313653.db2.gz GJSGVRFPUTXWOE-BAGYTPMASA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000451529104 501313655 /nfs/dbraw/zinc/31/36/55/501313655.db2.gz GJSGVRFPUTXWOE-BAGYTPMASA-N 2 1 363.590 3.469 20 0 FGADMP CN1CCO[C@@H]([C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccc(Cl)cc2)C1 ZINC000453420157 501327860 /nfs/dbraw/zinc/32/78/60/501327860.db2.gz ZJSCITQISRNFCX-UXHICEINSA-N 2 1 365.949 3.176 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933693 501338107 /nfs/dbraw/zinc/33/81/07/501338107.db2.gz QLRNTULQIKSEMQ-PKOBYXMFSA-N 2 1 360.546 3.242 20 0 FGADMP CCN(CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)Cc1ccccc1Cl ZINC000458170897 501384052 /nfs/dbraw/zinc/38/40/52/501384052.db2.gz AGPYLUILWOQQPL-INIZCTEOSA-N 2 1 351.922 3.010 20 0 FGADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000458195666 501389358 /nfs/dbraw/zinc/38/93/58/501389358.db2.gz CGLNYFSAIDCSNW-SFHVURJKSA-N 2 1 363.571 3.293 20 0 FGADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1ccccc1 ZINC000458275724 501409716 /nfs/dbraw/zinc/40/97/16/501409716.db2.gz CTSWRWXTEUPFLQ-HXUWFJFHSA-N 2 1 373.472 3.398 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1)c1ccccc1 ZINC000458275724 501409718 /nfs/dbraw/zinc/40/97/18/501409718.db2.gz CTSWRWXTEUPFLQ-HXUWFJFHSA-N 2 1 373.472 3.398 20 0 FGADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@H+](C)Cc3ccccc3)ccc21 ZINC000455910849 501413145 /nfs/dbraw/zinc/41/31/45/501413145.db2.gz IWXVJNPMGIFUGM-NRFANRHFSA-N 2 1 366.509 3.489 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000458380816 501431532 /nfs/dbraw/zinc/43/15/32/501431532.db2.gz PDIHZOLUHCNSAT-KRWDZBQOSA-N 2 1 354.583 3.307 20 0 FGADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1CCN(CCC(F)(F)F)CC1 ZINC000452118535 501438987 /nfs/dbraw/zinc/43/89/87/501438987.db2.gz PGLSWSZTGPKEAK-SFHVURJKSA-N 2 1 358.448 3.329 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512545 501463263 /nfs/dbraw/zinc/46/32/63/501463263.db2.gz YIHPTPBSZPJJDD-JBACZVJFSA-N 2 1 372.557 3.164 20 0 FGADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000458512545 501463265 /nfs/dbraw/zinc/46/32/65/501463265.db2.gz YIHPTPBSZPJJDD-JBACZVJFSA-N 2 1 372.557 3.164 20 0 FGADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1C ZINC000598973581 506255173 /nfs/dbraw/zinc/25/51/73/506255173.db2.gz AZPOPJQLYKUTPZ-LJQANCHMSA-N 2 1 369.509 3.420 20 0 FGADMP Cn1cncc1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000582495042 506255838 /nfs/dbraw/zinc/25/58/38/506255838.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000582495042 506255842 /nfs/dbraw/zinc/25/58/42/506255842.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 2 1 352.526 3.339 20 0 FGADMP Cn1cncc1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000582495042 506255849 /nfs/dbraw/zinc/25/58/49/506255849.db2.gz UMYMYUDRIYGHMO-UNMCSNQZSA-N 2 1 352.526 3.339 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458669773 501503533 /nfs/dbraw/zinc/50/35/33/501503533.db2.gz IJUDKDCSGYAYRL-AZUAARDMSA-N 2 1 374.573 3.317 20 0 FGADMP C[N@@H+](CCCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000454393817 501532730 /nfs/dbraw/zinc/53/27/30/501532730.db2.gz YYIQCXRRKDURSN-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000458926036 501560428 /nfs/dbraw/zinc/56/04/28/501560428.db2.gz CDZPUJQZJBKZNK-ZCNNSNEGSA-N 2 1 364.578 3.154 20 0 FGADMP CCOCC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453030710 501604681 /nfs/dbraw/zinc/60/46/81/501604681.db2.gz YQSDJPKJJIMTES-FGZHOGPDSA-N 2 1 374.569 3.397 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC000459171796 501608001 /nfs/dbraw/zinc/60/80/01/501608001.db2.gz YAMURBXXYACWSQ-UHFFFAOYSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459272131 501622798 /nfs/dbraw/zinc/62/27/98/501622798.db2.gz WXGZQBZJUSFXKX-NRFANRHFSA-N 2 1 374.573 3.272 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459306503 501628432 /nfs/dbraw/zinc/62/84/32/501628432.db2.gz LXORQPSETXWEIL-FQEVSTJZSA-N 2 1 366.594 3.262 20 0 FGADMP C[C@@H]1CN(c2ccccc2CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348704 501636610 /nfs/dbraw/zinc/63/66/10/501636610.db2.gz WUKJNDXWQXIVQI-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348704 501636611 /nfs/dbraw/zinc/63/66/11/501636611.db2.gz WUKJNDXWQXIVQI-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)CCO1 ZINC000459348704 501636612 /nfs/dbraw/zinc/63/66/12/501636612.db2.gz WUKJNDXWQXIVQI-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCO1 ZINC000459348704 501636613 /nfs/dbraw/zinc/63/66/13/501636613.db2.gz WUKJNDXWQXIVQI-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCO1 ZINC000459348704 501636614 /nfs/dbraw/zinc/63/66/14/501636614.db2.gz WUKJNDXWQXIVQI-QUCCMNQESA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CCO1 ZINC000459363555 501639784 /nfs/dbraw/zinc/63/97/84/501639784.db2.gz RJDYXVXNOPAGEW-QMHWCDLVSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCO1 ZINC000459363555 501639785 /nfs/dbraw/zinc/63/97/85/501639785.db2.gz RJDYXVXNOPAGEW-QMHWCDLVSA-N 2 1 369.553 3.360 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCO1 ZINC000459363555 501639788 /nfs/dbraw/zinc/63/97/88/501639788.db2.gz RJDYXVXNOPAGEW-QMHWCDLVSA-N 2 1 369.553 3.360 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@H]1SC ZINC000459394762 501646006 /nfs/dbraw/zinc/64/60/06/501646006.db2.gz YBIXUHBNKBMIAZ-DZJNRPSUSA-N 2 1 354.585 3.459 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@H]1SC ZINC000459394762 501646009 /nfs/dbraw/zinc/64/60/09/501646009.db2.gz YBIXUHBNKBMIAZ-DZJNRPSUSA-N 2 1 354.585 3.459 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459448920 501655530 /nfs/dbraw/zinc/65/55/30/501655530.db2.gz YCCYBHSNBOQRRC-LJQANCHMSA-N 2 1 366.509 3.450 20 0 FGADMP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](c1ccco1)N1CCCCC1 ZINC000457435893 501697655 /nfs/dbraw/zinc/69/76/55/501697655.db2.gz GJMQPOVWPTZYPP-CVEARBPZSA-N 2 1 359.474 3.083 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000457471472 501705195 /nfs/dbraw/zinc/70/51/95/501705195.db2.gz BMHAVSZZZORKSB-QGZVFWFLSA-N 2 1 368.953 3.362 20 0 FGADMP COc1cc(C[NH+]2C[C@@H]3C[C@H]2CS3)cc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459794452 501714562 /nfs/dbraw/zinc/71/45/62/501714562.db2.gz MNPLYLVKGHDTLK-CAMMJAKZSA-N 2 1 362.564 3.075 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457524623 501716414 /nfs/dbraw/zinc/71/64/14/501716414.db2.gz IPVQMNUGNBIWHS-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CCCN(C(=O)Cn1ccnc1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457542253 501719104 /nfs/dbraw/zinc/71/91/04/501719104.db2.gz UHNRRSKIZZDZGD-HXUWFJFHSA-N 2 1 354.498 3.095 20 0 FGADMP CCCN(C(=O)Cn1cc[nH+]c1C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000457542253 501719107 /nfs/dbraw/zinc/71/91/07/501719107.db2.gz UHNRRSKIZZDZGD-HXUWFJFHSA-N 2 1 354.498 3.095 20 0 FGADMP CO[C@@H]1C[NH+](Cc2ccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758719 /nfs/dbraw/zinc/75/87/19/501758719.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758722 /nfs/dbraw/zinc/75/87/22/501758722.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)cc2)CC[C@H]1C ZINC000467286943 501758726 /nfs/dbraw/zinc/75/87/26/501758726.db2.gz BSMQKIQQPONZMW-GMQQQROESA-N 2 1 360.542 3.400 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000470669366 501760224 /nfs/dbraw/zinc/76/02/24/501760224.db2.gz JXQGROKOMOWCCB-CTNGQTDRSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000467332280 501771866 /nfs/dbraw/zinc/77/18/66/501771866.db2.gz GNAZQJNMBMQVCU-MRXNPFEDSA-N 2 1 371.491 3.500 20 0 FGADMP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294900 501779037 /nfs/dbraw/zinc/77/90/37/501779037.db2.gz AVIULMUUVJMJBC-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294900 501779042 /nfs/dbraw/zinc/77/90/42/501779042.db2.gz AVIULMUUVJMJBC-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294900 501779047 /nfs/dbraw/zinc/77/90/47/501779047.db2.gz AVIULMUUVJMJBC-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)Cc1ccccc1 ZINC000474294900 501779049 /nfs/dbraw/zinc/77/90/49/501779049.db2.gz AVIULMUUVJMJBC-OAQYLSRUSA-N 2 1 369.484 3.038 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470718454 501781046 /nfs/dbraw/zinc/78/10/46/501781046.db2.gz SGKMWJQWXKDUSA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470718454 501781050 /nfs/dbraw/zinc/78/10/50/501781050.db2.gz SGKMWJQWXKDUSA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470718454 501781053 /nfs/dbraw/zinc/78/10/53/501781053.db2.gz SGKMWJQWXKDUSA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000474317389 501787324 /nfs/dbraw/zinc/78/73/24/501787324.db2.gz MGXZNZHRNWBFDT-QGZVFWFLSA-N 2 1 357.542 3.005 20 0 FGADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470739816 501789064 /nfs/dbraw/zinc/78/90/64/501789064.db2.gz FRFPBTQPIVEHOV-SFTDATJTSA-N 2 1 374.573 3.269 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)c2C)cc1 ZINC000463736033 501806396 /nfs/dbraw/zinc/80/63/96/501806396.db2.gz NEPMXBFNFFVOJV-QGZVFWFLSA-N 2 1 370.541 3.378 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@]2(CC=CCC2)C1)c1ccccc1 ZINC000460378495 501809292 /nfs/dbraw/zinc/80/92/92/501809292.db2.gz CIHPSSLPOCSCEB-UNMCSNQZSA-N 2 1 355.526 3.228 20 0 FGADMP CCS[C@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000460385787 501811564 /nfs/dbraw/zinc/81/15/64/501811564.db2.gz GCWSVTBCFSEHOF-RBUKOAKNSA-N 2 1 363.571 3.013 20 0 FGADMP O=C(NCC[N@@H+]1CC=CCC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000474375118 501811701 /nfs/dbraw/zinc/81/17/01/501811701.db2.gz QRVJKLWWHJHPQB-UHFFFAOYSA-N 2 1 370.541 3.124 20 0 FGADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485465554 501828392 /nfs/dbraw/zinc/82/83/92/501828392.db2.gz ISMYGZHHBRRPFB-LJQANCHMSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743219 501858438 /nfs/dbraw/zinc/85/84/38/501858438.db2.gz JDWSYIJTIQSPSK-VXGBXAGGSA-N 2 1 351.438 3.049 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CC1 ZINC000474712534 501930443 /nfs/dbraw/zinc/93/04/43/501930443.db2.gz NGQGKDPRVPWJAI-UHFFFAOYSA-N 2 1 372.340 3.070 20 0 FGADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)C1CCCC1 ZINC000468021164 501932367 /nfs/dbraw/zinc/93/23/67/501932367.db2.gz IUAHKPSLXKVVSL-NRFANRHFSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)C[C@H](CNC(=O)N1CC[N@@H+](C)CC[C@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000468023067 501932401 /nfs/dbraw/zinc/93/24/01/501932401.db2.gz VDYGVJQGXCSUKE-SVFBPWRDSA-N 2 1 374.573 3.488 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000468047112 501940529 /nfs/dbraw/zinc/94/05/29/501940529.db2.gz GKHZSEILUHPMFB-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000482132168 501984114 /nfs/dbraw/zinc/98/41/14/501984114.db2.gz ZKMOQCRAKGPEKG-BQFCYCMXSA-N 2 1 351.560 3.243 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000482132851 501984881 /nfs/dbraw/zinc/98/48/81/501984881.db2.gz IPDMCLSLBDXWCH-YLJYHZDGSA-N 2 1 374.529 3.074 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1C ZINC000474939390 501998866 /nfs/dbraw/zinc/99/88/66/501998866.db2.gz AWDHVLSAVQYKFM-XPSJOHQASA-N 2 1 358.526 3.464 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026050 502026098 /nfs/dbraw/zinc/02/60/98/502026098.db2.gz KTKSDJRGQMXNMX-RTWAWAEBSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1 ZINC000475026050 502026105 /nfs/dbraw/zinc/02/61/05/502026105.db2.gz KTKSDJRGQMXNMX-RTWAWAEBSA-N 2 1 369.484 3.382 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccsc21 ZINC000464656261 502056957 /nfs/dbraw/zinc/05/69/57/502056957.db2.gz LXANKFWOXCOKIB-KRWDZBQOSA-N 2 1 359.539 3.389 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)Nc2cc(C[NH+](C)C)ccn2)cc1)C1CC1 ZINC000482391792 502057304 /nfs/dbraw/zinc/05/73/04/502057304.db2.gz SYXWSWFTDNCIQZ-UHFFFAOYSA-N 2 1 352.482 3.380 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000478829285 502099220 /nfs/dbraw/zinc/09/92/20/502099220.db2.gz JLPOQQXRUJOWHL-NQIIRXRSSA-N 2 1 372.557 3.295 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000464810741 502101748 /nfs/dbraw/zinc/10/17/48/502101748.db2.gz KYZOGDODFZXKNY-ICSRJNTNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000464810741 502101754 /nfs/dbraw/zinc/10/17/54/502101754.db2.gz KYZOGDODFZXKNY-ICSRJNTNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000464810741 502101759 /nfs/dbraw/zinc/10/17/59/502101759.db2.gz KYZOGDODFZXKNY-ICSRJNTNSA-N 2 1 357.542 3.150 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000461443154 502117116 /nfs/dbraw/zinc/11/71/16/502117116.db2.gz GKTZXEIZMXRHGB-FCHUYYIVSA-N 2 1 369.553 3.087 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000475291235 502120776 /nfs/dbraw/zinc/12/07/76/502120776.db2.gz NLAUDUMKUGOFLB-OAQYLSRUSA-N 2 1 374.573 3.411 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000468683546 502145089 /nfs/dbraw/zinc/14/50/89/502145089.db2.gz GOZDNJKOSRUARZ-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCCc3nn(C)cc32)C[C@H](C)O1 ZINC000479064115 502151128 /nfs/dbraw/zinc/15/11/28/502151128.db2.gz GHABNZZHGHSZJA-LLGFUMIMSA-N 2 1 368.525 3.197 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000471866973 502159156 /nfs/dbraw/zinc/15/91/56/502159156.db2.gz YPYYDTLXNFSDGX-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1Cc2ccccc2C1 ZINC000475503144 502193961 /nfs/dbraw/zinc/19/39/61/502193961.db2.gz MEEXDYGQQUQHPY-KRWDZBQOSA-N 2 1 355.526 3.304 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000461795000 502203902 /nfs/dbraw/zinc/20/39/02/502203902.db2.gz JTVMLLLYUKHWDY-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000461795000 502203908 /nfs/dbraw/zinc/20/39/08/502203908.db2.gz JTVMLLLYUKHWDY-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000461795000 502203913 /nfs/dbraw/zinc/20/39/13/502203913.db2.gz JTVMLLLYUKHWDY-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH2+]C(C)(C)c2ccccc2)CC1 ZINC000475528562 502204430 /nfs/dbraw/zinc/20/44/30/502204430.db2.gz KEVXAHGAEJUPDG-IBGZPJMESA-N 2 1 365.521 3.417 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)Cc1cccc(Cl)c1Cl ZINC000468859105 502209569 /nfs/dbraw/zinc/20/95/69/502209569.db2.gz GPWUUQXUZQFSSH-UHFFFAOYSA-N 2 1 372.340 3.020 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)c(C2CC2)c1 ZINC000468883251 502217693 /nfs/dbraw/zinc/21/76/93/502217693.db2.gz HRZSSELCPTVCGC-IBGZPJMESA-N 2 1 373.541 3.061 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000486643309 502218078 /nfs/dbraw/zinc/21/80/78/502218078.db2.gz VXKVKJCCZUIXCQ-YLJYHZDGSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)C[C@]1(CO)CCC[NH+]1CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718425 502263040 /nfs/dbraw/zinc/26/30/40/502263040.db2.gz YMBCFLZCDYKGLP-SFTDATJTSA-N 2 1 354.579 3.123 20 0 FGADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725139 502265515 /nfs/dbraw/zinc/26/55/15/502265515.db2.gz XYMSWCQLKGLSGI-QYZOEREBSA-N 2 1 357.542 3.265 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266588 502291025 /nfs/dbraw/zinc/29/10/25/502291025.db2.gz UVWGUPOHHKEIPJ-AZUAARDMSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C)c(C)c2)C1 ZINC000472266588 502291029 /nfs/dbraw/zinc/29/10/29/502291029.db2.gz UVWGUPOHHKEIPJ-AZUAARDMSA-N 2 1 361.530 3.063 20 0 FGADMP CCCc1cccc(C[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000479547788 502293852 /nfs/dbraw/zinc/29/38/52/502293852.db2.gz XYRQTUYVZDJNNE-UHFFFAOYSA-N 2 1 365.521 3.317 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000472290149 502301422 /nfs/dbraw/zinc/30/14/22/502301422.db2.gz FAQMXHVWSQHNAH-GOSISDBHSA-N 2 1 367.921 3.101 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291161 502301795 /nfs/dbraw/zinc/30/17/95/502301795.db2.gz IRCMEUJCYVGFGK-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2cccc(C)c2C)C1 ZINC000472291161 502301802 /nfs/dbraw/zinc/30/18/02/502301802.db2.gz IRCMEUJCYVGFGK-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266088 502332275 /nfs/dbraw/zinc/33/22/75/502332275.db2.gz HRBMRXGDZZHTIK-NRFANRHFSA-N 2 1 357.542 3.077 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccc(OCC3CC3)cc2)CC1 ZINC000483266088 502332278 /nfs/dbraw/zinc/33/22/78/502332278.db2.gz HRBMRXGDZZHTIK-NRFANRHFSA-N 2 1 357.542 3.077 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376525 502334815 /nfs/dbraw/zinc/33/48/15/502334815.db2.gz XTHVBFLLVOWBIE-PKOBYXMFSA-N 2 1 356.466 3.238 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3CCCC[C@H]3[C@@H](C[NH3+])Cc3ccccc3)cc12 ZINC000472376856 502334886 /nfs/dbraw/zinc/33/48/86/502334886.db2.gz ZINOPDNGIJZRQN-CTNGQTDRSA-N 2 1 363.509 3.438 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000465709725 502355528 /nfs/dbraw/zinc/35/55/28/502355528.db2.gz DZBRIPPWCAILED-LEWJYISDSA-N 2 1 372.557 3.243 20 0 FGADMP C[N@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596206548 506308992 /nfs/dbraw/zinc/30/89/92/506308992.db2.gz OUZGTFORLRNARW-HNNXBMFYSA-N 2 1 358.486 3.195 20 0 FGADMP C[N@@H+](CC(=O)OC(C)(C)C)[C@H]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000596206548 506308999 /nfs/dbraw/zinc/30/89/99/506308999.db2.gz OUZGTFORLRNARW-HNNXBMFYSA-N 2 1 358.486 3.195 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000479765050 502370548 /nfs/dbraw/zinc/37/05/48/502370548.db2.gz BECZGISSEDXJJF-UHFFFAOYSA-N 2 1 364.493 3.350 20 0 FGADMP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000487158411 502375897 /nfs/dbraw/zinc/37/58/97/502375897.db2.gz VPSDTUGQPRCMCY-OAQYLSRUSA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465766860 502377695 /nfs/dbraw/zinc/37/76/95/502377695.db2.gz YBPGPCLTFPHGSA-VWWARQNISA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465766860 502377697 /nfs/dbraw/zinc/37/76/97/502377697.db2.gz YBPGPCLTFPHGSA-VWWARQNISA-N 2 1 370.541 3.136 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465766860 502377699 /nfs/dbraw/zinc/37/76/99/502377699.db2.gz YBPGPCLTFPHGSA-VWWARQNISA-N 2 1 370.541 3.136 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000465773090 502379393 /nfs/dbraw/zinc/37/93/93/502379393.db2.gz DGSKALFQODOSMN-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1c(C)cc(C)cc1C ZINC000465793841 502387064 /nfs/dbraw/zinc/38/70/64/502387064.db2.gz WSCGSCFCGCYFPR-FQEVSTJZSA-N 2 1 374.573 3.169 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000465910796 502424473 /nfs/dbraw/zinc/42/44/73/502424473.db2.gz ONOLGRUPURGMMJ-ICSRJNTNSA-N 2 1 372.557 3.434 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NCC1CC[NH+](Cc2cccs2)CC1 ZINC000479956092 502429789 /nfs/dbraw/zinc/42/97/89/502429789.db2.gz MTRJZXBCWHVREH-UHFFFAOYSA-N 2 1 359.495 3.066 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000465954207 502438774 /nfs/dbraw/zinc/43/87/74/502438774.db2.gz ULEIWNLVFUNXIQ-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000480014034 502446118 /nfs/dbraw/zinc/44/61/18/502446118.db2.gz FEIDKEFSYPPRQK-RDTXWAMCSA-N 2 1 359.495 3.237 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000480014034 502446121 /nfs/dbraw/zinc/44/61/21/502446121.db2.gz FEIDKEFSYPPRQK-RDTXWAMCSA-N 2 1 359.495 3.237 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000483682974 502462289 /nfs/dbraw/zinc/46/22/89/502462289.db2.gz LFSZDWIXBLMFQO-OTWHNJEPSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000483682974 502462294 /nfs/dbraw/zinc/46/22/94/502462294.db2.gz LFSZDWIXBLMFQO-OTWHNJEPSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)C[C@H]1C ZINC000483682974 502462298 /nfs/dbraw/zinc/46/22/98/502462298.db2.gz LFSZDWIXBLMFQO-OTWHNJEPSA-N 2 1 352.567 3.155 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096485 502470960 /nfs/dbraw/zinc/47/09/60/502470960.db2.gz VANDBJGVSXCZBY-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CCCCCC1=O ZINC000480096485 502470967 /nfs/dbraw/zinc/47/09/67/502470967.db2.gz VANDBJGVSXCZBY-TZIWHRDSSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)CC(C)C ZINC000483716868 502474017 /nfs/dbraw/zinc/47/40/17/502474017.db2.gz UCMPHHIFPSKIIN-GBESFXJTSA-N 2 1 354.583 3.257 20 0 FGADMP CSC1(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC[NH+](C)CC1 ZINC000599085259 506316154 /nfs/dbraw/zinc/31/61/54/506316154.db2.gz OAXRDQYQCCAUIY-UHFFFAOYSA-N 2 1 369.538 3.236 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000483797783 502494940 /nfs/dbraw/zinc/49/49/40/502494940.db2.gz HBJHMYWYGFAXKN-HXUWFJFHSA-N 2 1 364.578 3.347 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H]2CC[NH+](CC)[C@@H](C)C2)C1 ZINC000483799121 502495718 /nfs/dbraw/zinc/49/57/18/502495718.db2.gz KVJWZLKSAIHXKG-OTWHNJEPSA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)C1 ZINC000483799121 502495723 /nfs/dbraw/zinc/49/57/23/502495723.db2.gz KVJWZLKSAIHXKG-OTWHNJEPSA-N 2 1 366.594 3.401 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)C1 ZINC000483799121 502495729 /nfs/dbraw/zinc/49/57/29/502495729.db2.gz KVJWZLKSAIHXKG-OTWHNJEPSA-N 2 1 366.594 3.401 20 0 FGADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000480196044 502498132 /nfs/dbraw/zinc/49/81/32/502498132.db2.gz WPQUGQGHVYPDJB-QGZVFWFLSA-N 2 1 369.575 3.098 20 0 FGADMP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000480196044 502498138 /nfs/dbraw/zinc/49/81/38/502498138.db2.gz WPQUGQGHVYPDJB-QGZVFWFLSA-N 2 1 369.575 3.098 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@H]1C ZINC000469682635 502500625 /nfs/dbraw/zinc/50/06/25/502500625.db2.gz JCEOWAMEKAMSCW-UZLBHIALSA-N 2 1 352.482 3.192 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1CC)[NH+]1CCCC1 ZINC000476481374 502501186 /nfs/dbraw/zinc/50/11/86/502501186.db2.gz BODOURAOCDYODV-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821512 502501279 /nfs/dbraw/zinc/50/12/79/502501279.db2.gz NBMLJENUQFFESX-AHEZYBDSSA-N 2 1 374.447 3.055 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821515 502501555 /nfs/dbraw/zinc/50/15/55/502501555.db2.gz NBMLJENUQFFESX-GZOSKZMVSA-N 2 1 374.447 3.055 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1([N@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000476533800 502515790 /nfs/dbraw/zinc/51/57/90/502515790.db2.gz KYAKMFNSBXKGOO-QGZVFWFLSA-N 2 1 367.578 3.083 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000487733990 502517400 /nfs/dbraw/zinc/51/74/00/502517400.db2.gz FVOVYYJDILFXPQ-KRWDZBQOSA-N 2 1 359.514 3.220 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000462700302 502538998 /nfs/dbraw/zinc/53/89/98/502538998.db2.gz VFHRSHLYHIQOPA-SFHVURJKSA-N 2 1 352.526 3.456 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000462700302 502539001 /nfs/dbraw/zinc/53/90/01/502539001.db2.gz VFHRSHLYHIQOPA-SFHVURJKSA-N 2 1 352.526 3.456 20 0 FGADMP Cc1ccc(NC(=O)C[N@H+](C)C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000487825109 502539656 /nfs/dbraw/zinc/53/96/56/502539656.db2.gz SJKIHEIVIWISFL-UHFFFAOYSA-N 2 1 357.420 3.282 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000473298283 502562518 /nfs/dbraw/zinc/56/25/18/502562518.db2.gz DEOZSDCAEBAZRA-FUHWJXTLSA-N 2 1 351.560 3.243 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H](CO)CC3CCCC3)sc2C1 ZINC000466410323 502563005 /nfs/dbraw/zinc/56/30/05/502563005.db2.gz QBSNZYATYZVTNG-INIZCTEOSA-N 2 1 351.560 3.188 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H](CO)CC3CCCC3)sc2C1 ZINC000466410323 502563009 /nfs/dbraw/zinc/56/30/09/502563009.db2.gz QBSNZYATYZVTNG-INIZCTEOSA-N 2 1 351.560 3.188 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484127001 502576896 /nfs/dbraw/zinc/57/68/96/502576896.db2.gz GPGNWPMQFJDETO-PTUXOGIPSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000484127001 502576902 /nfs/dbraw/zinc/57/69/02/502576902.db2.gz GPGNWPMQFJDETO-PTUXOGIPSA-N 2 1 350.506 3.455 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000484145466 502583312 /nfs/dbraw/zinc/58/33/12/502583312.db2.gz SAJPSGZHDDKJTB-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469888145 502584819 /nfs/dbraw/zinc/58/48/19/502584819.db2.gz MDLMLAKMJIPHGO-UBHSHLNASA-N 2 1 352.404 3.151 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000469888145 502584823 /nfs/dbraw/zinc/58/48/23/502584823.db2.gz MDLMLAKMJIPHGO-UBHSHLNASA-N 2 1 352.404 3.151 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000484175869 502593671 /nfs/dbraw/zinc/59/36/71/502593671.db2.gz RREIJSWTJPCQHV-MDNUFGMLSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](Cc3ccccc3)C[C@H]1CO)CC2 ZINC000484175869 502593675 /nfs/dbraw/zinc/59/36/75/502593675.db2.gz RREIJSWTJPCQHV-MDNUFGMLSA-N 2 1 350.506 3.455 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2cccc(N[C@H]3CCC[NH+](Cc4ccccc4)C3)c2)C1 ZINC000462866755 502605611 /nfs/dbraw/zinc/60/56/11/502605611.db2.gz PKIQFMQMUXHTIG-XZOQPEGZSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@H]3CCC[N@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866755 502605618 /nfs/dbraw/zinc/60/56/18/502605618.db2.gz PKIQFMQMUXHTIG-XZOQPEGZSA-N 2 1 365.521 3.330 20 0 FGADMP O[C@@H]1CC[NH+](Cc2cccc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)c2)C1 ZINC000462866755 502605625 /nfs/dbraw/zinc/60/56/25/502605625.db2.gz PKIQFMQMUXHTIG-XZOQPEGZSA-N 2 1 365.521 3.330 20 0 FGADMP CCSc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc1 ZINC000480571405 502606837 /nfs/dbraw/zinc/60/68/37/502606837.db2.gz IXKYHTIPORGXFL-SFHVURJKSA-N 2 1 363.571 3.287 20 0 FGADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000480596628 502615934 /nfs/dbraw/zinc/61/59/34/502615934.db2.gz WGQUAAWMPIGFHI-CTNGQTDRSA-N 2 1 359.558 3.303 20 0 FGADMP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)cc1 ZINC000480607552 502618673 /nfs/dbraw/zinc/61/86/73/502618673.db2.gz IHXWHYZRTOSSTC-SFHVURJKSA-N 2 1 351.494 3.233 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccc(NS(C)(=O)=O)c1 ZINC000480609542 502618923 /nfs/dbraw/zinc/61/89/23/502618923.db2.gz LPDNTNBEILAVCS-DLBZAZTESA-N 2 1 367.559 3.363 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)[C@H](c1ccccc1)N1CCOCC1 ZINC000480613693 502621038 /nfs/dbraw/zinc/62/10/38/502621038.db2.gz PNAWQJXCRZWQKD-JAXLGGSGSA-N 2 1 359.558 3.303 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[C@H](c1ccccc1)N1CCOCC1 ZINC000480677184 502639601 /nfs/dbraw/zinc/63/96/01/502639601.db2.gz PDAWTBPQJXECQY-ADYITMSISA-N 2 1 373.585 3.406 20 0 FGADMP FC(F)(F)Oc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000466701972 502646841 /nfs/dbraw/zinc/64/68/41/502646841.db2.gz AJBVYBHIEQQWJH-OAHLLOKOSA-N 2 1 358.404 3.382 20 0 FGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000466701972 502646847 /nfs/dbraw/zinc/64/68/47/502646847.db2.gz AJBVYBHIEQQWJH-OAHLLOKOSA-N 2 1 358.404 3.382 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000466721132 502653763 /nfs/dbraw/zinc/65/37/63/502653763.db2.gz COXDUBHJTLLZDZ-UHFFFAOYSA-N 2 1 361.530 3.065 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809840 502676725 /nfs/dbraw/zinc/67/67/25/502676725.db2.gz ZSBOWZJYEJLQFT-XLIONFOSSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809840 502676726 /nfs/dbraw/zinc/67/67/26/502676726.db2.gz ZSBOWZJYEJLQFT-XLIONFOSSA-N 2 1 373.541 3.069 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000484717933 502718970 /nfs/dbraw/zinc/71/89/70/502718970.db2.gz YYDGRMDLDWMJDM-NRFANRHFSA-N 2 1 374.573 3.402 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463204002 502719245 /nfs/dbraw/zinc/71/92/45/502719245.db2.gz HTVIDDGTQJMMKU-HMXCVIKNSA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cnn(C)c3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463204002 502719246 /nfs/dbraw/zinc/71/92/46/502719246.db2.gz HTVIDDGTQJMMKU-HMXCVIKNSA-N 2 1 367.541 3.032 20 0 FGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000466906921 502721355 /nfs/dbraw/zinc/72/13/55/502721355.db2.gz ADPIFYAHXYQWGP-GHTZIAJQSA-N 2 1 357.542 3.150 20 0 FGADMP CC[C@@H]1C[C@H](C)C[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000466906921 502721360 /nfs/dbraw/zinc/72/13/60/502721360.db2.gz ADPIFYAHXYQWGP-GHTZIAJQSA-N 2 1 357.542 3.150 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558966 502751026 /nfs/dbraw/zinc/75/10/26/502751026.db2.gz MYPUKZPMZAWSLN-HUUJSLGLSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558966 502751028 /nfs/dbraw/zinc/75/10/28/502751028.db2.gz MYPUKZPMZAWSLN-HUUJSLGLSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000488558966 502751034 /nfs/dbraw/zinc/75/10/34/502751034.db2.gz MYPUKZPMZAWSLN-HUUJSLGLSA-N 2 1 372.557 3.021 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104932 502754752 /nfs/dbraw/zinc/75/47/52/502754752.db2.gz JRFQNUKSULSZOH-MZKRTTBSSA-N 2 1 373.585 3.160 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000481104932 502754757 /nfs/dbraw/zinc/75/47/57/502754757.db2.gz JRFQNUKSULSZOH-MZKRTTBSSA-N 2 1 373.585 3.160 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919391 502777173 /nfs/dbraw/zinc/77/71/73/502777173.db2.gz LFKMOFCZRQEGQP-ZBFHGGJFSA-N 2 1 368.905 3.310 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919391 502777176 /nfs/dbraw/zinc/77/71/76/502777176.db2.gz LFKMOFCZRQEGQP-ZBFHGGJFSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919391 502777178 /nfs/dbraw/zinc/77/71/78/502777178.db2.gz LFKMOFCZRQEGQP-ZBFHGGJFSA-N 2 1 368.905 3.310 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(C(=O)OC)cc2Cl)C[C@H]1C ZINC000484919391 502777180 /nfs/dbraw/zinc/77/71/80/502777180.db2.gz LFKMOFCZRQEGQP-ZBFHGGJFSA-N 2 1 368.905 3.310 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481186348 502777390 /nfs/dbraw/zinc/77/73/90/502777390.db2.gz FNBLEUYSXJJHDE-KNQAVFIVSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481186348 502777395 /nfs/dbraw/zinc/77/73/95/502777395.db2.gz FNBLEUYSXJJHDE-KNQAVFIVSA-N 2 1 365.521 3.111 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)cc2)CC1 ZINC000474049477 502790289 /nfs/dbraw/zinc/79/02/89/502790289.db2.gz YXYPEWLMUIWVMJ-DNVJHFABSA-N 2 1 371.569 3.119 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470487087 502792550 /nfs/dbraw/zinc/79/25/50/502792550.db2.gz ONEMSDCOOQJRCB-HXUWFJFHSA-N 2 1 360.546 3.069 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC2)c1 ZINC000470504253 502798413 /nfs/dbraw/zinc/79/84/13/502798413.db2.gz VKXFJDRQCHCLTE-UHFFFAOYSA-N 2 1 374.573 3.331 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000504877569 502817784 /nfs/dbraw/zinc/81/77/84/502817784.db2.gz VNVYHWIEBXWJKG-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000504877569 502817785 /nfs/dbraw/zinc/81/77/85/502817785.db2.gz VNVYHWIEBXWJKG-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000504877569 502817786 /nfs/dbraw/zinc/81/77/86/502817786.db2.gz VNVYHWIEBXWJKG-TZIWHRDSSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961080 502847797 /nfs/dbraw/zinc/84/77/97/502847797.db2.gz OAAJDCHGKPVWQA-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000488961080 502847801 /nfs/dbraw/zinc/84/78/01/502847801.db2.gz OAAJDCHGKPVWQA-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000488961080 502847805 /nfs/dbraw/zinc/84/78/05/502847805.db2.gz OAAJDCHGKPVWQA-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513095534 502850341 /nfs/dbraw/zinc/85/03/41/502850341.db2.gz OUJBEILOODPDLG-NRFANRHFSA-N 2 1 358.574 3.181 20 0 FGADMP CCCN1CCC[C@H]1C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000513095534 502850345 /nfs/dbraw/zinc/85/03/45/502850345.db2.gz OUJBEILOODPDLG-NRFANRHFSA-N 2 1 358.574 3.181 20 0 FGADMP Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1NC(=O)CC[NH+](C)C ZINC000505234486 502874656 /nfs/dbraw/zinc/87/46/56/502874656.db2.gz XCGSFQJZEJJKSJ-SFHVURJKSA-N 2 1 374.529 3.088 20 0 FGADMP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H]1c1ccccc1 ZINC000496294164 502883451 /nfs/dbraw/zinc/88/34/51/502883451.db2.gz ZVDHINSEZCHRNW-SFTDATJTSA-N 2 1 359.558 3.301 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@@H](C)C1 ZINC000489152640 502888541 /nfs/dbraw/zinc/88/85/41/502888541.db2.gz YHJHNQIIMZXVQX-XUVXKRRUSA-N 2 1 364.578 3.014 20 0 FGADMP Cn1ncc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C(F)(F)F ZINC000501029303 502916284 /nfs/dbraw/zinc/91/62/84/502916284.db2.gz RCWYTYIQWFGFNV-UHFFFAOYSA-N 2 1 367.419 3.182 20 0 FGADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501032504 502917211 /nfs/dbraw/zinc/91/72/11/502917211.db2.gz PQKKDUCYZBFHPK-HDICACEKSA-N 2 1 358.530 3.019 20 0 FGADMP C(C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000489399850 502948539 /nfs/dbraw/zinc/94/85/39/502948539.db2.gz ZGMHMTPGPJNAOX-SFTDATJTSA-N 2 1 350.547 3.162 20 0 FGADMP C[N@H+]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](c2ccccc2)C1 ZINC000497417607 502953888 /nfs/dbraw/zinc/95/38/88/502953888.db2.gz ODNLVOSBJUMSET-VXKWHMMOSA-N 2 1 363.505 3.110 20 0 FGADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccc3c(c2)nnn3C)C[N@H+]1Cc1ccccc1 ZINC000513504707 502954444 /nfs/dbraw/zinc/95/44/44/502954444.db2.gz FACIIPMIVNGSSY-FXAWDEMLSA-N 2 1 363.509 3.359 20 0 FGADMP c1ccc(N2CCN(CCC[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694615 502969721 /nfs/dbraw/zinc/96/97/21/502969721.db2.gz DKVNSALNPODSJF-HSZRJFAPSA-N 2 1 370.585 3.149 20 0 FGADMP c1ccc(N2CCN(CCC[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)CC2)cc1 ZINC000509694615 502969724 /nfs/dbraw/zinc/96/97/24/502969724.db2.gz DKVNSALNPODSJF-HSZRJFAPSA-N 2 1 370.585 3.149 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491889 502971470 /nfs/dbraw/zinc/97/14/70/502971470.db2.gz FOQNXONCUOSHIS-ZVDOUQERSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(Cl)s1 ZINC000505802211 502989279 /nfs/dbraw/zinc/98/92/79/502989279.db2.gz NXZGUTGGUPTDTC-HNNXBMFYSA-N 2 1 371.978 3.209 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513673505 502997540 /nfs/dbraw/zinc/99/75/40/502997540.db2.gz SMDFSZILBPXABR-IKGGRYGDSA-N 2 1 353.304 3.290 20 0 FGADMP CC1CCN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000489652585 503005348 /nfs/dbraw/zinc/00/53/48/503005348.db2.gz XHEKGYKDSRRKBM-UHFFFAOYSA-N 2 1 357.542 3.089 20 0 FGADMP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489676844 503008673 /nfs/dbraw/zinc/00/86/73/503008673.db2.gz IXHLHTAMHQWJSL-LJQANCHMSA-N 2 1 359.558 3.381 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000501428485 503008811 /nfs/dbraw/zinc/00/88/11/503008811.db2.gz ZRUWLUXHHUGYLU-UHFFFAOYSA-N 2 1 367.537 3.295 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000501491972 503020090 /nfs/dbraw/zinc/02/00/90/503020090.db2.gz QCBQQSFKEFZZBO-QRVBRYPASA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000501491972 503020096 /nfs/dbraw/zinc/02/00/96/503020096.db2.gz QCBQQSFKEFZZBO-QRVBRYPASA-N 2 1 352.567 3.203 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000501491972 503020100 /nfs/dbraw/zinc/02/01/00/503020100.db2.gz QCBQQSFKEFZZBO-QRVBRYPASA-N 2 1 352.567 3.203 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](C)[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000501495855 503021593 /nfs/dbraw/zinc/02/15/93/503021593.db2.gz QAWHLOQQRWFCBS-UXHICEINSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NC[C@H](C)[N@H+]3CCCC[C@H]3C)CC2)c1 ZINC000501495855 503021599 /nfs/dbraw/zinc/02/15/99/503021599.db2.gz QAWHLOQQRWFCBS-UXHICEINSA-N 2 1 372.557 3.085 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000501548618 503034325 /nfs/dbraw/zinc/03/43/25/503034325.db2.gz ZPJQUTFCAUIHRI-IAGOWNOFSA-N 2 1 364.559 3.059 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1)C1CCCCC1 ZINC000501579651 503042821 /nfs/dbraw/zinc/04/28/21/503042821.db2.gz MRDNNNFZZMCNHI-UHFFFAOYSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000489825837 503043158 /nfs/dbraw/zinc/04/31/58/503043158.db2.gz HTXGNIUXFBGKCA-UHFFFAOYSA-N 2 1 372.557 3.375 20 0 FGADMP Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000489825837 503043162 /nfs/dbraw/zinc/04/31/62/503043162.db2.gz HTXGNIUXFBGKCA-UHFFFAOYSA-N 2 1 372.557 3.375 20 0 FGADMP CSCC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C(=O)N(C)C ZINC000489829305 503044225 /nfs/dbraw/zinc/04/42/25/503044225.db2.gz ROBIRHHGZQSOLC-KDOFPFPSSA-N 2 1 360.527 3.041 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C)cc2C)CC1 ZINC000510088518 503046418 /nfs/dbraw/zinc/04/64/18/503046418.db2.gz WLGKILJNKNUQRE-OAQYLSRUSA-N 2 1 362.558 3.487 20 0 FGADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810058 503046504 /nfs/dbraw/zinc/04/65/04/503046504.db2.gz XMOLKIOOCQIDAM-WOJBJXKFSA-N 2 1 358.526 3.263 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000489909528 503063017 /nfs/dbraw/zinc/06/30/17/503063017.db2.gz QUNHWUKYFILVQV-FPOVZHCZSA-N 2 1 373.541 3.342 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000489909528 503063018 /nfs/dbraw/zinc/06/30/18/503063018.db2.gz QUNHWUKYFILVQV-FPOVZHCZSA-N 2 1 373.541 3.342 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000501721293 503067349 /nfs/dbraw/zinc/06/73/49/503067349.db2.gz VPVDXKKQWAXWAX-ZVDOUQERSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N2CC[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000501721293 503067351 /nfs/dbraw/zinc/06/73/51/503067351.db2.gz VPVDXKKQWAXWAX-ZVDOUQERSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000501721293 503067353 /nfs/dbraw/zinc/06/73/53/503067353.db2.gz VPVDXKKQWAXWAX-ZVDOUQERSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000501721293 503067354 /nfs/dbraw/zinc/06/73/54/503067354.db2.gz VPVDXKKQWAXWAX-ZVDOUQERSA-N 2 1 372.557 3.053 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cc1 ZINC000514138272 503096264 /nfs/dbraw/zinc/09/62/64/503096264.db2.gz MSDHRIAAQYORKI-SFHVURJKSA-N 2 1 351.494 3.168 20 0 FGADMP CC[C@H](C)[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000514145635 503098523 /nfs/dbraw/zinc/09/85/23/503098523.db2.gz OSRDOZRQZZBWOD-HNAYVOBHSA-N 2 1 351.922 3.181 20 0 FGADMP C[N@@H+](CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CCCCC1 ZINC000514205763 503112314 /nfs/dbraw/zinc/11/23/14/503112314.db2.gz GKSOZWYOPCMIRS-OAQYLSRUSA-N 2 1 372.557 3.387 20 0 FGADMP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000502030967 503130026 /nfs/dbraw/zinc/13/00/26/503130026.db2.gz IGUNVUUIYOVTDW-NJDAHSKKSA-N 2 1 357.542 3.442 20 0 FGADMP CSC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC000514636626 503154831 /nfs/dbraw/zinc/15/48/31/503154831.db2.gz AUUGJGLYCCPVNS-QUCCMNQESA-N 2 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH+](C)CC1 ZINC000514636626 503154836 /nfs/dbraw/zinc/15/48/36/503154836.db2.gz AUUGJGLYCCPVNS-QUCCMNQESA-N 2 1 361.599 3.314 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000514640595 503155416 /nfs/dbraw/zinc/15/54/16/503155416.db2.gz VXRGKNXVPSUQJA-QKNQBKEWSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514640595 503155417 /nfs/dbraw/zinc/15/54/17/503155417.db2.gz VXRGKNXVPSUQJA-QKNQBKEWSA-N 2 1 374.573 3.459 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000514640595 503155418 /nfs/dbraw/zinc/15/54/18/503155418.db2.gz VXRGKNXVPSUQJA-QKNQBKEWSA-N 2 1 374.573 3.459 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000498405173 503180412 /nfs/dbraw/zinc/18/04/12/503180412.db2.gz ZBWZYTMSMHHQPR-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP c1nc([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)n2c1CCCC2 ZINC000502344484 503183645 /nfs/dbraw/zinc/18/36/45/503183645.db2.gz IGOOAYMUHXBKQP-KRWDZBQOSA-N 2 1 353.466 3.370 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000514764117 503186854 /nfs/dbraw/zinc/18/68/54/503186854.db2.gz ZKHDNOWHWMKTDD-DLBZAZTESA-N 2 1 366.575 3.305 20 0 FGADMP Cc1cnc2cc(C(=O)N3C[C@@H]4CC[N@@H+](Cc5ccccc5)C[C@@H]4C3)ccn12 ZINC000514797361 503195460 /nfs/dbraw/zinc/19/54/60/503195460.db2.gz XKZITLZSWLQELG-LEWJYISDSA-N 2 1 374.488 3.237 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2nnnn2-c2ccccc2)cc1 ZINC000510926060 503219067 /nfs/dbraw/zinc/21/90/67/503219067.db2.gz BDYCSZSHYVHRGA-INIZCTEOSA-N 2 1 373.464 3.050 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000498625418 503228021 /nfs/dbraw/zinc/22/80/21/503228021.db2.gz FHDGZGYSUDPJBG-ZWOKBUDYSA-N 2 1 361.530 3.401 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056032 503265874 /nfs/dbraw/zinc/26/58/74/503265874.db2.gz BBJLKJDDQMBRPT-FGZHOGPDSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1ccc([C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056032 503265878 /nfs/dbraw/zinc/26/58/78/503265878.db2.gz BBJLKJDDQMBRPT-FGZHOGPDSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054831 503265935 /nfs/dbraw/zinc/26/59/35/503265935.db2.gz DQXLJCODNPIELU-NHCUHLMSSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000491054831 503265939 /nfs/dbraw/zinc/26/59/39/503265939.db2.gz DQXLJCODNPIELU-NHCUHLMSSA-N 2 1 360.542 3.323 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405858 503295045 /nfs/dbraw/zinc/29/50/45/503295045.db2.gz LVBYZIITWBZXQH-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405858 503295048 /nfs/dbraw/zinc/29/50/48/503295048.db2.gz LVBYZIITWBZXQH-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000507405858 503295051 /nfs/dbraw/zinc/29/50/51/503295051.db2.gz LVBYZIITWBZXQH-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000515234729 503298906 /nfs/dbraw/zinc/29/89/06/503298906.db2.gz NKLUAOLZXBFGHX-ATNYBXOESA-N 2 1 367.896 3.106 20 0 FGADMP CC(C)[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000511379211 503310619 /nfs/dbraw/zinc/31/06/19/503310619.db2.gz PMFUJWHDUWZGLA-PMACEKPBSA-N 2 1 367.965 3.420 20 0 FGADMP CC(C)[NH+](CCN[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511379211 503310623 /nfs/dbraw/zinc/31/06/23/503310623.db2.gz PMFUJWHDUWZGLA-PMACEKPBSA-N 2 1 367.965 3.420 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)C1 ZINC000515352526 503322593 /nfs/dbraw/zinc/32/25/93/503322593.db2.gz GLVNJJKWWKQACM-ICSRJNTNSA-N 2 1 371.550 3.452 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441899 503323236 /nfs/dbraw/zinc/32/32/36/503323236.db2.gz VMAJHGOKSKTSDQ-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000503072338 503341160 /nfs/dbraw/zinc/34/11/60/503341160.db2.gz KCGOPLVDWHUFQD-SFHVURJKSA-N 2 1 368.525 3.341 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(Cc1ccccc1)[C@@H](C)C1CC1 ZINC000503072338 503341163 /nfs/dbraw/zinc/34/11/63/503341163.db2.gz KCGOPLVDWHUFQD-SFHVURJKSA-N 2 1 368.525 3.341 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[NH+](C)C1CC1 ZINC000511562920 503343638 /nfs/dbraw/zinc/34/36/38/503343638.db2.gz XFXRSVABDWITCM-YLJYHZDGSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2ccccc2Cl)C1 ZINC000515480695 503347312 /nfs/dbraw/zinc/34/73/12/503347312.db2.gz UFNANGDMONGKON-IRXDYDNUSA-N 2 1 365.949 3.397 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000503222937 503371108 /nfs/dbraw/zinc/37/11/08/503371108.db2.gz MUCJRGWDRCKQIY-QFBILLFUSA-N 2 1 359.518 3.374 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H]2CCCC2(C)C)CC1 ZINC000492873220 503389609 /nfs/dbraw/zinc/38/96/09/503389609.db2.gz LZVOOSLPVSKRPZ-FQEVSTJZSA-N 2 1 357.542 3.198 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000511921440 503417011 /nfs/dbraw/zinc/41/70/11/503417011.db2.gz GUNXHDDRHJONMW-UFYCRDLUSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000511921440 503417013 /nfs/dbraw/zinc/41/70/13/503417013.db2.gz GUNXHDDRHJONMW-UFYCRDLUSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000511921440 503417014 /nfs/dbraw/zinc/41/70/14/503417014.db2.gz GUNXHDDRHJONMW-UFYCRDLUSA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCSc1ccccc1 ZINC000499511283 503422075 /nfs/dbraw/zinc/42/20/75/503422075.db2.gz ZUMGOTACBZSGIA-GOSISDBHSA-N 2 1 363.571 3.043 20 0 FGADMP Cc1cc(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000582698068 506371191 /nfs/dbraw/zinc/37/11/91/506371191.db2.gz XUENEESLQFALDT-IBGZPJMESA-N 2 1 370.541 3.261 20 0 FGADMP Cc1cc(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc(N2CCCC2)[nH+]1 ZINC000582698068 506371196 /nfs/dbraw/zinc/37/11/96/506371196.db2.gz XUENEESLQFALDT-IBGZPJMESA-N 2 1 370.541 3.261 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)s1 ZINC000512083376 503453044 /nfs/dbraw/zinc/45/30/44/503453044.db2.gz JYQGVOLRYKBNOH-UHFFFAOYSA-N 3 1 364.584 3.268 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000516177626 503463631 /nfs/dbraw/zinc/46/36/31/503463631.db2.gz PZBVFUPCZPGXQU-IBGZPJMESA-N 2 1 364.578 3.206 20 0 FGADMP CCC(CC)(CNC(=O)N1CC[NH+](C2CC2)CC1)[NH2+][C@H](C)c1ccccc1 ZINC000503707726 503463671 /nfs/dbraw/zinc/46/36/71/503463671.db2.gz KHIQWXHQHZNXOB-GOSISDBHSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2nc3c(s2)CCCC3)s1 ZINC000512135805 503466008 /nfs/dbraw/zinc/46/60/08/503466008.db2.gz OWLNRCLJSZNKJA-UHFFFAOYSA-N 2 1 350.557 3.262 20 0 FGADMP C[C@H]1[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000494067935 503482983 /nfs/dbraw/zinc/48/29/83/503482983.db2.gz CUOWMJMGYFKGQH-LAUBAEHRSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000499887297 503502583 /nfs/dbraw/zinc/50/25/83/503502583.db2.gz LFIYLLMHEZDQIM-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887297 503502587 /nfs/dbraw/zinc/50/25/87/503502587.db2.gz LFIYLLMHEZDQIM-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000499887297 503502593 /nfs/dbraw/zinc/50/25/93/503502593.db2.gz LFIYLLMHEZDQIM-TZIWHRDSSA-N 2 1 357.542 3.374 20 0 FGADMP Cn1c2ccc(C[N@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502207 503506932 /nfs/dbraw/zinc/50/69/32/503506932.db2.gz BIECDWZNQQUKMG-IBGZPJMESA-N 2 1 365.477 3.085 20 0 FGADMP Cn1c2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502207 503506934 /nfs/dbraw/zinc/50/69/34/503506934.db2.gz BIECDWZNQQUKMG-IBGZPJMESA-N 2 1 365.477 3.085 20 0 FGADMP Cn1c2ccc(C[NH+](C)C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502207 503506936 /nfs/dbraw/zinc/50/69/36/503506936.db2.gz BIECDWZNQQUKMG-IBGZPJMESA-N 2 1 365.477 3.085 20 0 FGADMP Cn1c2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2oc1=O ZINC000508502207 503506939 /nfs/dbraw/zinc/50/69/39/503506939.db2.gz BIECDWZNQQUKMG-IBGZPJMESA-N 2 1 365.477 3.085 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000504008639 503509072 /nfs/dbraw/zinc/50/90/72/503509072.db2.gz IWNWRSQRHFYLDD-SFHVURJKSA-N 2 1 354.583 3.257 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000499924223 503511922 /nfs/dbraw/zinc/51/19/22/503511922.db2.gz WSIWTPCHUWZRRC-OKZBNKHCSA-N 2 1 374.529 3.026 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000499924223 503511928 /nfs/dbraw/zinc/51/19/28/503511928.db2.gz WSIWTPCHUWZRRC-OKZBNKHCSA-N 2 1 374.529 3.026 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1)CC1CC1 ZINC000516518151 503526025 /nfs/dbraw/zinc/52/60/25/503526025.db2.gz AXIUPBLGVWGSJH-FQEVSTJZSA-N 2 1 372.557 3.115 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCn3c(C)[nH+]cc3C2)CC1)CC1CC1 ZINC000516518151 503526029 /nfs/dbraw/zinc/52/60/29/503526029.db2.gz AXIUPBLGVWGSJH-FQEVSTJZSA-N 2 1 372.557 3.115 20 0 FGADMP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[N@@H+]3[C@H](C)CC[C@@H]3C)c2)CC1 ZINC000504207398 503538629 /nfs/dbraw/zinc/53/86/29/503538629.db2.gz IKDKIRJGOBXUHC-HDICACEKSA-N 2 1 358.530 3.028 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC1 ZINC000512423675 503545898 /nfs/dbraw/zinc/54/58/98/503545898.db2.gz JBSHAEHWHNHCDT-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000512423675 503545903 /nfs/dbraw/zinc/54/59/03/503545903.db2.gz JBSHAEHWHNHCDT-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000512423675 503545909 /nfs/dbraw/zinc/54/59/09/503545909.db2.gz JBSHAEHWHNHCDT-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718615 503550493 /nfs/dbraw/zinc/55/04/93/503550493.db2.gz OAYQZDJIDHIINS-DZFGPLHGSA-N 2 1 366.505 3.499 20 0 FGADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1CCC[NH+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551098 /nfs/dbraw/zinc/55/10/98/503551098.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@@H]1CCCCC[NH+]1CCC[N@@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551102 /nfs/dbraw/zinc/55/11/02/503551102.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](O)C[C@@H]1CCCCC[NH+]1CCC[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000512439322 503551106 /nfs/dbraw/zinc/55/11/06/503551106.db2.gz QAMQONNZYSBDCY-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000516622251 503553472 /nfs/dbraw/zinc/55/34/72/503553472.db2.gz DPFBBHNLFPZSSS-AVRDEDQJSA-N 2 1 374.488 3.497 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504325286 503556546 /nfs/dbraw/zinc/55/65/46/503556546.db2.gz OUWSMFPEHXITGM-LEWJYISDSA-N 2 1 370.541 3.099 20 0 FGADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512485145 503567649 /nfs/dbraw/zinc/56/76/49/503567649.db2.gz GESAWBOLRLLBAL-JOCHJYFZSA-N 2 1 365.521 3.087 20 0 FGADMP COc1ccc(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000512485145 503567653 /nfs/dbraw/zinc/56/76/53/503567653.db2.gz GESAWBOLRLLBAL-JOCHJYFZSA-N 2 1 365.521 3.087 20 0 FGADMP C/C=C\c1ccc(OC[C@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543066 503580476 /nfs/dbraw/zinc/58/04/76/503580476.db2.gz YXOAXMKONUTDEG-NICLLRKGSA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C\c1ccc(OC[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000512543066 503580478 /nfs/dbraw/zinc/58/04/78/503580478.db2.gz YXOAXMKONUTDEG-NICLLRKGSA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C\c1ccc(OC[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000512543066 503580480 /nfs/dbraw/zinc/58/04/80/503580480.db2.gz YXOAXMKONUTDEG-NICLLRKGSA-N 2 1 374.525 3.025 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C)CC2 ZINC000508869737 503583554 /nfs/dbraw/zinc/58/35/54/503583554.db2.gz YWTQARDQAIWNFM-PBASOCQRSA-N 2 1 372.557 3.335 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000494745249 503603155 /nfs/dbraw/zinc/60/31/55/503603155.db2.gz KQLGBZXHYUURLB-YADHBBJMSA-N 2 1 366.505 3.127 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@]12CCCO2 ZINC000512654495 503604232 /nfs/dbraw/zinc/60/42/32/503604232.db2.gz MRVXSOXITOIBAK-AOIWZFSPSA-N 2 1 358.526 3.356 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@]12CCCO2 ZINC000512654495 503604234 /nfs/dbraw/zinc/60/42/34/503604234.db2.gz MRVXSOXITOIBAK-AOIWZFSPSA-N 2 1 358.526 3.356 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C1 ZINC000582715079 506382469 /nfs/dbraw/zinc/38/24/69/506382469.db2.gz LAQDIDLMORPEFC-LVCYWYKZSA-N 2 1 372.557 3.045 20 0 FGADMP CCC[N@@H+](CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1)C1CC1 ZINC000509051836 503631064 /nfs/dbraw/zinc/63/10/64/503631064.db2.gz CIOMJKIHCADNKA-NRFANRHFSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCC(C[NH+](C)C)CC4)nc(N)c23)C1 ZINC000540066894 503660200 /nfs/dbraw/zinc/66/02/00/503660200.db2.gz WMQZNYDSKMPTTM-CYBMUJFWSA-N 2 1 373.570 3.172 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495108954 503669934 /nfs/dbraw/zinc/66/99/34/503669934.db2.gz NNQJFHQEYZOHNB-UNMCSNQZSA-N 2 1 352.526 3.383 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000495108954 503669943 /nfs/dbraw/zinc/66/99/43/503669943.db2.gz NNQJFHQEYZOHNB-UNMCSNQZSA-N 2 1 352.526 3.383 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccc(Cl)s1 ZINC000495118873 503674790 /nfs/dbraw/zinc/67/47/90/503674790.db2.gz JCBBIVCBZMNFFM-LSDHHAIUSA-N 2 1 371.978 3.380 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)CC1 ZINC000536681032 503678613 /nfs/dbraw/zinc/67/86/13/503678613.db2.gz JLTLTJORUSOTNN-PZJWPPBQSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000536681032 503678620 /nfs/dbraw/zinc/67/86/20/503678620.db2.gz JLTLTJORUSOTNN-PZJWPPBQSA-N 2 1 358.574 3.133 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000536681032 503678627 /nfs/dbraw/zinc/67/86/27/503678627.db2.gz JLTLTJORUSOTNN-PZJWPPBQSA-N 2 1 358.574 3.133 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000540146762 503688259 /nfs/dbraw/zinc/68/82/59/503688259.db2.gz KZFURICYIWOBRP-KSEOMHKRSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000540146762 503688263 /nfs/dbraw/zinc/68/82/63/503688263.db2.gz KZFURICYIWOBRP-KSEOMHKRSA-N 2 1 358.574 3.392 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000540146762 503688269 /nfs/dbraw/zinc/68/82/69/503688269.db2.gz KZFURICYIWOBRP-KSEOMHKRSA-N 2 1 358.574 3.392 20 0 FGADMP CCc1nc2ccccc2n1C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000517244385 503690722 /nfs/dbraw/zinc/69/07/22/503690722.db2.gz FLGSSLSIFHZUCR-INIZCTEOSA-N 2 1 354.498 3.104 20 0 FGADMP CC[C@H](O)[C@H]1CCCC[NH+]1CCCCC[N@@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990410 503691994 /nfs/dbraw/zinc/69/19/94/503691994.db2.gz CVHNEGVOJJPVBD-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@H](O)[C@H]1CCCC[N@H+]1CCCCC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990410 503692000 /nfs/dbraw/zinc/69/20/00/503692000.db2.gz CVHNEGVOJJPVBD-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP CC[C@H](O)[C@H]1CCCC[N@@H+]1CCCCC[NH+]1CCCC[C@H]1[C@@H](O)CC ZINC000532990410 503692005 /nfs/dbraw/zinc/69/20/05/503692005.db2.gz CVHNEGVOJJPVBD-WOZUAGRISA-N 2 1 354.579 3.408 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@H]4CCCC[C@H]43)CC2)CC1 ZINC000517245556 503692707 /nfs/dbraw/zinc/69/27/07/503692707.db2.gz UOIQKIOBQQWWJQ-IOMROCGXSA-N 2 1 361.574 3.220 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC12CCC2 ZINC000536719769 503695195 /nfs/dbraw/zinc/69/51/95/503695195.db2.gz ZZFTWYIGODCOCU-IBGZPJMESA-N 2 1 369.553 3.411 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OC3CCCC3)c(OC)c2)CC1 ZINC000540195283 503702819 /nfs/dbraw/zinc/70/28/19/503702819.db2.gz PRTQOBVMCMYMJW-UHFFFAOYSA-N 2 1 362.514 3.217 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000529804386 503707737 /nfs/dbraw/zinc/70/77/37/503707737.db2.gz ONGOGJAQMXGBQP-JBACZVJFSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000529804386 503707742 /nfs/dbraw/zinc/70/77/42/503707742.db2.gz ONGOGJAQMXGBQP-JBACZVJFSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000529804386 503707747 /nfs/dbraw/zinc/70/77/47/503707747.db2.gz ONGOGJAQMXGBQP-JBACZVJFSA-N 2 1 357.542 3.086 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000517365943 503726495 /nfs/dbraw/zinc/72/64/95/503726495.db2.gz OMZODWPPCDDWMM-KXBFYZLASA-N 2 1 369.534 3.104 20 0 FGADMP C[C@H]([NH2+]C1CC1)C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000517365943 503726502 /nfs/dbraw/zinc/72/65/02/503726502.db2.gz OMZODWPPCDDWMM-KXBFYZLASA-N 2 1 369.534 3.104 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1 ZINC000540260724 503726554 /nfs/dbraw/zinc/72/65/54/503726554.db2.gz KASZBQVPVNKNPO-AZUAARDMSA-N 2 1 358.555 3.419 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(c3cnccn3)CC2)c1 ZINC000536864367 503743194 /nfs/dbraw/zinc/74/31/94/503743194.db2.gz SKIGAWZLORCFRB-UHFFFAOYSA-N 2 1 353.514 3.075 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460344 503780471 /nfs/dbraw/zinc/78/04/71/503780471.db2.gz MAYOCCAZOXWBAP-IKGGRYGDSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460344 503780473 /nfs/dbraw/zinc/78/04/73/503780473.db2.gz MAYOCCAZOXWBAP-IKGGRYGDSA-N 2 1 359.514 3.265 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000530023200 503796337 /nfs/dbraw/zinc/79/63/37/503796337.db2.gz CRYWQYUSHJGCMN-RXVVDRJESA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023200 503796343 /nfs/dbraw/zinc/79/63/43/503796343.db2.gz CRYWQYUSHJGCMN-RXVVDRJESA-N 2 1 373.516 3.171 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000530023200 503796347 /nfs/dbraw/zinc/79/63/47/503796347.db2.gz CRYWQYUSHJGCMN-RXVVDRJESA-N 2 1 373.516 3.171 20 0 FGADMP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578886 503818383 /nfs/dbraw/zinc/81/83/83/503818383.db2.gz DXRRTKJQEPGHHX-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000543578886 503818386 /nfs/dbraw/zinc/81/83/86/503818386.db2.gz DXRRTKJQEPGHHX-PKOBYXMFSA-N 2 1 372.557 3.341 20 0 FGADMP COC(=O)c1coc(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634401 503835267 /nfs/dbraw/zinc/83/52/67/503835267.db2.gz ZCCQXKCFWIZPEJ-FUHWJXTLSA-N 2 1 356.466 3.457 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000540644183 503843365 /nfs/dbraw/zinc/84/33/65/503843365.db2.gz DJDXRIKAZDMYMG-UHFFFAOYSA-N 2 1 361.230 3.402 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887972 503858225 /nfs/dbraw/zinc/85/82/25/503858225.db2.gz MUTYBTUTBOIHLO-CEXWTWQISA-N 2 1 366.594 3.163 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887972 503858231 /nfs/dbraw/zinc/85/82/31/503858231.db2.gz MUTYBTUTBOIHLO-CEXWTWQISA-N 2 1 366.594 3.163 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000517887972 503858236 /nfs/dbraw/zinc/85/82/36/503858236.db2.gz MUTYBTUTBOIHLO-CEXWTWQISA-N 2 1 366.594 3.163 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539540 503882116 /nfs/dbraw/zinc/88/21/16/503882116.db2.gz XOYWSFHVXAAJBT-OIISXLGYSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(OC(F)(F)F)cc1 ZINC000533539540 503882121 /nfs/dbraw/zinc/88/21/21/503882121.db2.gz XOYWSFHVXAAJBT-OIISXLGYSA-N 2 1 358.404 3.269 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+]CC3=CCCOC3)cc2)C[C@H]1C ZINC000537351493 503887071 /nfs/dbraw/zinc/88/70/71/503887071.db2.gz JBOOKACWQFNKMQ-KDURUIRLSA-N 2 1 358.526 3.132 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530242945 503890759 /nfs/dbraw/zinc/89/07/59/503890759.db2.gz VVCYMFGDSBQNMV-SFHVURJKSA-N 2 1 351.560 3.322 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000518023370 503891523 /nfs/dbraw/zinc/89/15/23/503891523.db2.gz NXLKMHWKHFNJRP-RLLQIKCJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000518023370 503891528 /nfs/dbraw/zinc/89/15/28/503891528.db2.gz NXLKMHWKHFNJRP-RLLQIKCJSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000518023370 503891529 /nfs/dbraw/zinc/89/15/29/503891529.db2.gz NXLKMHWKHFNJRP-RLLQIKCJSA-N 2 1 370.541 3.138 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000533622303 503903340 /nfs/dbraw/zinc/90/33/40/503903340.db2.gz KLBYNOXWNVPICW-IBGZPJMESA-N 2 1 372.557 3.213 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533986799 504010185 /nfs/dbraw/zinc/01/01/85/504010185.db2.gz VISIPKMMKBLGGP-SFTDATJTSA-N 2 1 370.541 3.092 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055226 504027162 /nfs/dbraw/zinc/02/71/62/504027162.db2.gz HWQDGNZBWKIYIW-ROUUACIJSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055226 504027168 /nfs/dbraw/zinc/02/71/68/504027168.db2.gz HWQDGNZBWKIYIW-ROUUACIJSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055226 504027173 /nfs/dbraw/zinc/02/71/73/504027173.db2.gz HWQDGNZBWKIYIW-ROUUACIJSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055226 504027181 /nfs/dbraw/zinc/02/71/81/504027181.db2.gz HWQDGNZBWKIYIW-ROUUACIJSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C(C)C ZINC000534055226 504027184 /nfs/dbraw/zinc/02/71/84/504027184.db2.gz HWQDGNZBWKIYIW-ROUUACIJSA-N 2 1 366.937 3.115 20 0 FGADMP O=C1Nc2ccccc2C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000528001978 504034743 /nfs/dbraw/zinc/03/47/43/504034743.db2.gz QNCDSRFUAWZDJL-XWSHUIEDSA-N 2 1 361.489 3.335 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)C(=O)N1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000528016298 504041603 /nfs/dbraw/zinc/04/16/03/504041603.db2.gz RDSLGBSBLQKTTP-QUCCMNQESA-N 2 1 357.542 3.135 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000547273162 504044381 /nfs/dbraw/zinc/04/43/81/504044381.db2.gz MNHFOVXCCQVTBH-FQEVSTJZSA-N 2 1 360.885 3.075 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(OCc3ccccc3Cl)c2)C1 ZINC000547273162 504044387 /nfs/dbraw/zinc/04/43/87/504044387.db2.gz MNHFOVXCCQVTBH-FQEVSTJZSA-N 2 1 360.885 3.075 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849232 504063855 /nfs/dbraw/zinc/06/38/55/504063855.db2.gz HGSYRJVEPGXOFB-LJQANCHMSA-N 2 1 363.590 3.467 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000534221183 504075919 /nfs/dbraw/zinc/07/59/19/504075919.db2.gz TVHIGTACHZONHA-LJQANCHMSA-N 2 1 355.486 3.258 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1 ZINC000534221183 504075924 /nfs/dbraw/zinc/07/59/24/504075924.db2.gz TVHIGTACHZONHA-LJQANCHMSA-N 2 1 355.486 3.258 20 0 FGADMP C[C@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000544303739 504079978 /nfs/dbraw/zinc/07/99/78/504079978.db2.gz SCKOXEDPRNAKGZ-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP COc1ccc(OCC[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)cc1 ZINC000544351606 504098946 /nfs/dbraw/zinc/09/89/46/504098946.db2.gz PZVRXVGSQVOCRQ-UHFFFAOYSA-N 2 1 352.438 3.095 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000537971273 504099878 /nfs/dbraw/zinc/09/98/78/504099878.db2.gz GNZDJRUNOKZWHV-YYTDSSBASA-N 3 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@H](C)O1 ZINC000537971273 504099881 /nfs/dbraw/zinc/09/98/81/504099881.db2.gz GNZDJRUNOKZWHV-YYTDSSBASA-N 3 1 373.585 3.376 20 0 FGADMP O=C1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)c2ccccc2N1 ZINC000544362013 504104257 /nfs/dbraw/zinc/10/42/57/504104257.db2.gz BVZCQONNMOVKOE-HXUWFJFHSA-N 2 1 365.477 3.082 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000518985194 504110535 /nfs/dbraw/zinc/11/05/35/504110535.db2.gz QNCKBHWHNVROOZ-ZVXPMLRVSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000534328775 504112615 /nfs/dbraw/zinc/11/26/15/504112615.db2.gz NSYRFZBETGHDOQ-CYBMUJFWSA-N 2 1 355.885 3.072 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3C3CC3)c2)C1 ZINC000538100153 504132987 /nfs/dbraw/zinc/13/29/87/504132987.db2.gz BMRFROGOWACMHT-NJDAHSKKSA-N 2 1 355.526 3.052 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(NC(=O)c3cccc(C[NH+](C)C)c3)sc2C1 ZINC000541460905 504137210 /nfs/dbraw/zinc/13/72/10/504137210.db2.gz SEBQEORAJCHDRJ-UHFFFAOYSA-N 2 1 358.511 3.224 20 0 FGADMP CC(C)[N@H+]1CCc2nc(NC(=O)c3cccc(C[NH+](C)C)c3)sc2C1 ZINC000541460905 504137217 /nfs/dbraw/zinc/13/72/17/504137217.db2.gz SEBQEORAJCHDRJ-UHFFFAOYSA-N 2 1 358.511 3.224 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1cccnc1 ZINC000541542755 504170210 /nfs/dbraw/zinc/17/02/10/504170210.db2.gz DEVMTXRDFFUSPR-NHCUHLMSSA-N 2 1 357.473 3.137 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000541543185 504170963 /nfs/dbraw/zinc/17/09/63/504170963.db2.gz XGAHSOCZXNKYRZ-GMAHTHKFSA-N 2 1 373.585 3.332 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000541543185 504170966 /nfs/dbraw/zinc/17/09/66/504170966.db2.gz XGAHSOCZXNKYRZ-GMAHTHKFSA-N 2 1 373.585 3.332 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)c1ccsc1 ZINC000534612991 504191428 /nfs/dbraw/zinc/19/14/28/504191428.db2.gz WCSXXSJYADMOPW-IPMKNSEASA-N 2 1 372.538 3.095 20 0 FGADMP FC(F)(F)c1ncccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528369352 504192538 /nfs/dbraw/zinc/19/25/38/504192538.db2.gz YVCQMZTUCDFCNU-UHFFFAOYSA-N 2 1 357.420 3.035 20 0 FGADMP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481164 504230371 /nfs/dbraw/zinc/23/03/71/504230371.db2.gz DIOGDXRUSLZSAG-WIYYLYMNSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481164 504230375 /nfs/dbraw/zinc/23/03/75/504230375.db2.gz DIOGDXRUSLZSAG-WIYYLYMNSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000519481164 504230380 /nfs/dbraw/zinc/23/03/80/504230380.db2.gz DIOGDXRUSLZSAG-WIYYLYMNSA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000519481164 504230382 /nfs/dbraw/zinc/23/03/82/504230382.db2.gz DIOGDXRUSLZSAG-WIYYLYMNSA-N 2 1 372.557 3.003 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483983 504230584 /nfs/dbraw/zinc/23/05/84/504230584.db2.gz PHGPKERRXIFDFT-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519483983 504230586 /nfs/dbraw/zinc/23/05/86/504230586.db2.gz PHGPKERRXIFDFT-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519483983 504230590 /nfs/dbraw/zinc/23/05/90/504230590.db2.gz PHGPKERRXIFDFT-RTWAWAEBSA-N 2 1 372.557 3.215 20 0 FGADMP Fc1ccc(C[NH+]2CCC(Nc3cc[nH+]cc3Br)CC2)cc1 ZINC000547826512 504239374 /nfs/dbraw/zinc/23/93/74/504239374.db2.gz QIABVFFCNNIGRA-UHFFFAOYSA-N 2 1 364.262 3.482 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534811703 504248541 /nfs/dbraw/zinc/24/85/41/504248541.db2.gz YUELZSUJPOQLIX-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534811703 504248545 /nfs/dbraw/zinc/24/85/45/504248545.db2.gz YUELZSUJPOQLIX-ZWKOTPCHSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)C1CC1 ZINC000531286257 504252441 /nfs/dbraw/zinc/25/24/41/504252441.db2.gz RJNKXCLXPHPPCN-QFIPXVFZSA-N 2 1 365.521 3.145 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCCCn1cc[nH+]c1C ZINC000531380958 504287917 /nfs/dbraw/zinc/28/79/17/504287917.db2.gz GGBLOXRURVKXMF-UHFFFAOYSA-N 2 1 371.437 3.303 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CC(=O)Nc3ccccc3)CCCC2)CC1 ZINC000531384111 504288327 /nfs/dbraw/zinc/28/83/27/504288327.db2.gz LGVBDOZVPJALSR-SFHVURJKSA-N 2 1 373.541 3.417 20 0 FGADMP C[C@@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535013337 504313288 /nfs/dbraw/zinc/31/32/88/504313288.db2.gz YQKQMLYIASTUEH-YLJYHZDGSA-N 2 1 365.949 3.067 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2)CC1 ZINC000548083715 504323897 /nfs/dbraw/zinc/32/38/97/504323897.db2.gz ZZEBTPWYRFQFEJ-SESVDKBCSA-N 2 1 357.542 3.306 20 0 FGADMP c1csc(N2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)n1 ZINC000519750757 504327148 /nfs/dbraw/zinc/32/71/48/504327148.db2.gz GIYVIVMFVZXDMR-UHFFFAOYSA-N 2 1 356.539 3.451 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000538751898 504359000 /nfs/dbraw/zinc/35/90/00/504359000.db2.gz VMMMTSXERIOUAI-LJQANCHMSA-N 2 1 360.477 3.149 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@@H]1c1cccs1 ZINC000531724410 504405169 /nfs/dbraw/zinc/40/51/69/504405169.db2.gz OSHKVLIGGFWAQX-OXQOHEQNSA-N 2 1 371.554 3.180 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3cnccn3)CC2)[C@@H]1c1cccs1 ZINC000531724410 504405171 /nfs/dbraw/zinc/40/51/71/504405171.db2.gz OSHKVLIGGFWAQX-OXQOHEQNSA-N 2 1 371.554 3.180 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc3cccnc32)c2cccs2)CC1 ZINC000520297455 504458111 /nfs/dbraw/zinc/45/81/11/504458111.db2.gz DSAOYEVUZXFYIR-LJQANCHMSA-N 2 1 366.534 3.375 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057772 504460649 /nfs/dbraw/zinc/46/06/49/504460649.db2.gz DCAWLJADMYTXBS-AHEZYBDSSA-N 2 1 358.448 3.175 20 0 FGADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000539071684 504464495 /nfs/dbraw/zinc/46/44/95/504464495.db2.gz YJDAHTCKFGEOBQ-GBESFXJTSA-N 2 1 361.530 3.191 20 0 FGADMP O=C1C[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1[C@@H]1C[C@H]1c1ccccc1 ZINC000539085964 504468500 /nfs/dbraw/zinc/46/85/00/504468500.db2.gz AUNPHWYKJJVTEC-ILWGZMRPSA-N 2 1 367.537 3.140 20 0 FGADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)c1 ZINC000531963445 504487424 /nfs/dbraw/zinc/48/74/24/504487424.db2.gz SRHXKLTUGHTJSY-KRWDZBQOSA-N 2 1 371.554 3.009 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]C3CCN(c4cnccn4)CC3)C2)c1 ZINC000531963445 504487432 /nfs/dbraw/zinc/48/74/32/504487432.db2.gz SRHXKLTUGHTJSY-KRWDZBQOSA-N 2 1 371.554 3.009 20 0 FGADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000542451781 504495015 /nfs/dbraw/zinc/49/50/15/504495015.db2.gz ORQMIQRSCKIAAK-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000542465847 504500274 /nfs/dbraw/zinc/50/02/74/504500274.db2.gz MKXLZFZBSWSMPS-LAUBAEHRSA-N 2 1 351.498 3.024 20 0 FGADMP C[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730145 504544976 /nfs/dbraw/zinc/54/49/76/504544976.db2.gz NGFVXKUYIDUCRT-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000548730144 504545103 /nfs/dbraw/zinc/54/51/03/504545103.db2.gz NGFVXKUYIDUCRT-RXVVDRJESA-N 2 1 357.542 3.409 20 0 FGADMP C[N@@H+](CCN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)C1CCCC1 ZINC000539395115 504555652 /nfs/dbraw/zinc/55/56/52/504555652.db2.gz GJWFFCFIKKTIBO-HXUWFJFHSA-N 2 1 357.542 3.439 20 0 FGADMP COc1ccccc1[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532188693 504567411 /nfs/dbraw/zinc/56/74/11/504567411.db2.gz ZUQLDYLMBUMENV-AEFFLSMTSA-N 2 1 359.539 3.396 20 0 FGADMP COc1cccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000532188394 504567466 /nfs/dbraw/zinc/56/74/66/504567466.db2.gz DICHXQUPHFZWNJ-APWZRJJASA-N 2 1 359.539 3.396 20 0 FGADMP Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532193281 504568402 /nfs/dbraw/zinc/56/84/02/504568402.db2.gz BVJUYEWGSCYHNZ-UHFFFAOYSA-N 2 1 363.465 3.184 20 0 FGADMP CC1(C)CCCC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532226031 504578795 /nfs/dbraw/zinc/57/87/95/504578795.db2.gz QGMWKCICLRWUNC-VQTJNVASSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520806292 504586362 /nfs/dbraw/zinc/58/63/62/504586362.db2.gz NFAKUTALODYROM-YQVWRLOYSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@]2(C)CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520806292 504586368 /nfs/dbraw/zinc/58/63/68/504586368.db2.gz NFAKUTALODYROM-YQVWRLOYSA-N 2 1 367.896 3.119 20 0 FGADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C12CCCC2 ZINC000539499798 504591866 /nfs/dbraw/zinc/59/18/66/504591866.db2.gz KLGFHNVYWLPIJD-RTWAWAEBSA-N 2 1 358.526 3.346 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccc3[nH]ccc32)c2cccs2)CC1 ZINC000520930690 504611765 /nfs/dbraw/zinc/61/17/65/504611765.db2.gz HVZDLNORZBBKEK-LJQANCHMSA-N 2 1 354.523 3.308 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000542823084 504625689 /nfs/dbraw/zinc/62/56/89/504625689.db2.gz IWPKNMSSLVHNRC-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542823084 504625694 /nfs/dbraw/zinc/62/56/94/504625694.db2.gz IWPKNMSSLVHNRC-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H](NC(=O)N1CCC[NH+](C(C)(C)C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000542823084 504625697 /nfs/dbraw/zinc/62/56/97/504625697.db2.gz IWPKNMSSLVHNRC-MSOLQXFVSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000536100493 504633952 /nfs/dbraw/zinc/63/39/52/504633952.db2.gz VLZWVIKUPROHPL-YHELAOLJSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000536100493 504633955 /nfs/dbraw/zinc/63/39/55/504633955.db2.gz VLZWVIKUPROHPL-YHELAOLJSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000536100493 504633958 /nfs/dbraw/zinc/63/39/58/504633958.db2.gz VLZWVIKUPROHPL-YHELAOLJSA-N 2 1 372.557 3.099 20 0 FGADMP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000521056382 504639496 /nfs/dbraw/zinc/63/94/96/504639496.db2.gz CABVVBOOXPGDKZ-QAPCUYQASA-N 2 1 351.922 3.181 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170730 504656400 /nfs/dbraw/zinc/65/64/00/504656400.db2.gz GUSIMWBNAULPDV-LEWJYISDSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170730 504656410 /nfs/dbraw/zinc/65/64/10/504656410.db2.gz GUSIMWBNAULPDV-LEWJYISDSA-N 2 1 372.557 3.386 20 0 FGADMP C[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000536170730 504656416 /nfs/dbraw/zinc/65/64/16/504656416.db2.gz GUSIMWBNAULPDV-LEWJYISDSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)N1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539697230 504656373 /nfs/dbraw/zinc/65/63/73/504656373.db2.gz CGZCZWSXKWXOQR-PKOBYXMFSA-N 2 1 369.912 3.459 20 0 FGADMP C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000532514461 504678576 /nfs/dbraw/zinc/67/85/76/504678576.db2.gz KGUHHKJYZAXXEI-OXJNMPFZSA-N 2 1 371.550 3.166 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532517009 504679884 /nfs/dbraw/zinc/67/98/84/504679884.db2.gz JQMQFYQQSFZTEB-DHIUTWEWSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532517009 504679886 /nfs/dbraw/zinc/67/98/86/504679886.db2.gz JQMQFYQQSFZTEB-DHIUTWEWSA-N 2 1 366.505 3.299 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532522272 504681159 /nfs/dbraw/zinc/68/11/59/504681159.db2.gz SNLAXZMJULXFLG-IOASZLSFSA-N 2 1 368.319 3.239 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532522272 504681164 /nfs/dbraw/zinc/68/11/64/504681164.db2.gz SNLAXZMJULXFLG-IOASZLSFSA-N 2 1 368.319 3.239 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCO)c1ccccc1Br ZINC000521221174 504684760 /nfs/dbraw/zinc/68/47/60/504684760.db2.gz SKUNEWMBWBCRHD-QGZVFWFLSA-N 2 1 366.303 3.448 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](c2ccccc2)C3)CC1 ZINC000549159805 504707399 /nfs/dbraw/zinc/70/73/99/504707399.db2.gz VEUDWCAMZWSHMA-QQFNCUIESA-N 2 1 369.553 3.386 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1)C1CC1 ZINC000532660884 504728499 /nfs/dbraw/zinc/72/84/99/504728499.db2.gz ZDAMVJNIRLMYAR-UHFFFAOYSA-N 2 1 374.529 3.157 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H](c2nccn2C)C(F)(F)F)C1 ZINC000552997146 504800891 /nfs/dbraw/zinc/80/08/91/504800891.db2.gz YMYADSBEXQEMSI-HUUCEWRRSA-N 2 1 374.451 3.084 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154331 504809458 /nfs/dbraw/zinc/80/94/58/504809458.db2.gz APYMPMZREHIDQE-MSOLQXFVSA-N 2 1 374.488 3.378 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000549480803 504833538 /nfs/dbraw/zinc/83/35/38/504833538.db2.gz CIUDTWPMGQGRLW-SJLPKXTDSA-N 2 1 352.404 3.034 20 0 FGADMP CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000549584791 504854312 /nfs/dbraw/zinc/85/43/12/504854312.db2.gz SBKIUQFVKLCNGU-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000550138715 504975609 /nfs/dbraw/zinc/97/56/09/504975609.db2.gz BFAMXLKZKGPSJE-NRFANRHFSA-N 2 1 369.509 3.476 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)CCc2ccc(F)cc2F)CC1 ZINC000556857728 504997361 /nfs/dbraw/zinc/99/73/61/504997361.db2.gz GFILJYBNRBUNOA-KRWDZBQOSA-N 2 1 353.501 3.293 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000562989366 505012306 /nfs/dbraw/zinc/01/23/06/505012306.db2.gz IMUKAZIZDWGVPD-VJBMBRPKSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000562989366 505012311 /nfs/dbraw/zinc/01/23/11/505012311.db2.gz IMUKAZIZDWGVPD-VJBMBRPKSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000562994212 505012764 /nfs/dbraw/zinc/01/27/64/505012764.db2.gz AQLHCYTXKCZAAY-UWJYYQICSA-N 2 1 372.484 3.381 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000556967598 505033815 /nfs/dbraw/zinc/03/38/15/505033815.db2.gz MTQWMHVEBWOXGJ-PKTZIBPZSA-N 2 1 369.553 3.362 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)CC1 ZINC000556967598 505033819 /nfs/dbraw/zinc/03/38/19/505033819.db2.gz MTQWMHVEBWOXGJ-PKTZIBPZSA-N 2 1 369.553 3.362 20 0 FGADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629883 505076107 /nfs/dbraw/zinc/07/61/07/505076107.db2.gz XCXAPYNCWOGTOR-IOMROCGXSA-N 2 1 351.494 3.116 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)C(=O)NCc1ccccc1 ZINC000550629883 505076112 /nfs/dbraw/zinc/07/61/12/505076112.db2.gz XCXAPYNCWOGTOR-IOMROCGXSA-N 2 1 351.494 3.116 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)c1 ZINC000566109020 505084063 /nfs/dbraw/zinc/08/40/63/505084063.db2.gz JWMLNTRRFSVLQH-LJQANCHMSA-N 2 1 367.493 3.149 20 0 FGADMP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000566170682 505103709 /nfs/dbraw/zinc/10/37/09/505103709.db2.gz XQAFFPDYISTHGT-HKUYNNGSSA-N 2 1 363.571 3.374 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000554145694 505105187 /nfs/dbraw/zinc/10/51/87/505105187.db2.gz VNMRRMUNMHTKMP-VAMGGRTRSA-N 2 1 358.530 3.252 20 0 FGADMP C[NH+](C)C[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000560506141 505107382 /nfs/dbraw/zinc/10/73/82/505107382.db2.gz IZDGMQZENDXBTM-HKUYNNGSSA-N 2 1 365.949 3.366 20 0 FGADMP C[C@H]1CC2(CN1C(=O)[C@@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC[NH2+]CC2 ZINC000566209651 505112830 /nfs/dbraw/zinc/11/28/30/505112830.db2.gz UUBSEIWAEICJRN-PKOBYXMFSA-N 2 1 373.516 3.028 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC(C4CCCCC4)C3)CC2)CC1 ZINC000563395203 505131645 /nfs/dbraw/zinc/13/16/45/505131645.db2.gz BMBVKQXMGDJONQ-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC2)c1 ZINC000557448226 505137155 /nfs/dbraw/zinc/13/71/55/505137155.db2.gz GCFBIYBMZASEPK-UHFFFAOYSA-N 2 1 365.521 3.057 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000557528946 505157923 /nfs/dbraw/zinc/15/79/23/505157923.db2.gz FORKXSPODFMVFF-INIZCTEOSA-N 2 1 367.497 3.452 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000557534620 505160359 /nfs/dbraw/zinc/16/03/59/505160359.db2.gz MLMKOLAYFNXUAK-GJZGRUSLSA-N 2 1 374.451 3.227 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000554450063 505176317 /nfs/dbraw/zinc/17/63/17/505176317.db2.gz JOSIMXVIDVMLOJ-DLBZAZTESA-N 2 1 364.559 3.059 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554450146 505176329 /nfs/dbraw/zinc/17/63/29/505176329.db2.gz TZAACEUYQLVFNM-FQEVSTJZSA-N 2 1 372.513 3.046 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000557627992 505186338 /nfs/dbraw/zinc/18/63/38/505186338.db2.gz NPGZNSUJMSEQOB-SFTDATJTSA-N 2 1 361.574 3.268 20 0 FGADMP C[C@H](OC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556289 505205263 /nfs/dbraw/zinc/20/52/63/505205263.db2.gz JXBZIQDJDRVUQV-VUVIGMMVSA-N 2 1 366.933 3.385 20 0 FGADMP CC(C)[NH+](CCNC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F)C(C)C ZINC000561061585 505240823 /nfs/dbraw/zinc/24/08/23/505240823.db2.gz GSEGFOKXZHVIEQ-HUUCEWRRSA-N 2 1 365.484 3.130 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc4ccccc4c3)CC2)CC1 ZINC000561108570 505252123 /nfs/dbraw/zinc/25/21/23/505252123.db2.gz BGKHWYFHYIJHHF-UHFFFAOYSA-N 2 1 366.509 3.370 20 0 FGADMP CCC[N@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000563895354 505269224 /nfs/dbraw/zinc/26/92/24/505269224.db2.gz QYQFDSNTFSNSSE-UHFFFAOYSA-N 2 1 368.403 3.121 20 0 FGADMP CCC[N@@H+](CCCc1c[nH+]cn1C)CC(=O)Nc1ccc(F)c(F)c1F ZINC000563895354 505269227 /nfs/dbraw/zinc/26/92/27/505269227.db2.gz QYQFDSNTFSNSSE-UHFFFAOYSA-N 2 1 368.403 3.121 20 0 FGADMP CCc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)s1 ZINC000563904387 505271376 /nfs/dbraw/zinc/27/13/76/505271376.db2.gz VVKLAZHZMKJEJQ-UHFFFAOYSA-N 2 1 363.571 3.077 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920074 505276753 /nfs/dbraw/zinc/27/67/53/505276753.db2.gz UPWJMTNLDGXJEG-RTWAWAEBSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920074 505276759 /nfs/dbraw/zinc/27/67/59/505276759.db2.gz UPWJMTNLDGXJEG-RTWAWAEBSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920074 505276762 /nfs/dbraw/zinc/27/67/62/505276762.db2.gz UPWJMTNLDGXJEG-RTWAWAEBSA-N 2 1 364.489 3.412 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](Cc4ccc5c(c4)OCCO5)C[C@@H]3C2)cc1 ZINC000563920074 505276766 /nfs/dbraw/zinc/27/67/66/505276766.db2.gz UPWJMTNLDGXJEG-RTWAWAEBSA-N 2 1 364.489 3.412 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000564008593 505300845 /nfs/dbraw/zinc/30/08/45/505300845.db2.gz LHVXGOAAGFURFM-SIKLNZKXSA-N 2 1 370.541 3.158 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)cnn1C(C)(C)C ZINC000558165289 505324552 /nfs/dbraw/zinc/32/45/52/505324552.db2.gz JOJFIYGWCWGYML-HNNXBMFYSA-N 2 1 359.518 3.133 20 0 FGADMP C[C@H]([NH2+][C@@H](C)C1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567000415 505334390 /nfs/dbraw/zinc/33/43/90/505334390.db2.gz ZVYSCDSWTONLAS-BBTUJRGHSA-N 2 1 357.542 3.324 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000551908374 505339614 /nfs/dbraw/zinc/33/96/14/505339614.db2.gz HRVNOMQRYAZZLJ-PXNSSMCTSA-N 2 1 373.541 3.067 20 0 FGADMP C[C@H](CCc1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000567085682 505359751 /nfs/dbraw/zinc/35/97/51/505359751.db2.gz DZSHPUXMGLKGNM-MEMABINQSA-N 2 1 355.570 3.498 20 0 FGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000561541607 505372969 /nfs/dbraw/zinc/37/29/69/505372969.db2.gz KQMIIJUBDRDSKO-OALUTQOASA-N 2 1 372.538 3.063 20 0 FGADMP COC(=O)CN1CCC(Nc2ccc(N3CCCCCC3)cc2C)CC1 ZINC000558410722 505381156 /nfs/dbraw/zinc/38/11/56/505381156.db2.gz BBZUDNMABNOJSO-UHFFFAOYSA-N 2 1 359.514 3.425 20 0 FGADMP CC(C)(C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000564324941 505384923 /nfs/dbraw/zinc/38/49/23/505384923.db2.gz MNOUPSKQTVFOBR-NHCUHLMSSA-N 2 1 365.521 3.493 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060590 505385565 /nfs/dbraw/zinc/38/55/65/505385565.db2.gz PJRDKGMTGHSBRM-QFXGEWDLSA-N 2 1 371.569 3.337 20 0 FGADMP COc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423161 505385770 /nfs/dbraw/zinc/38/57/70/505385770.db2.gz HDWDZVWRUFXYNF-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423161 505385772 /nfs/dbraw/zinc/38/57/72/505385772.db2.gz HDWDZVWRUFXYNF-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423161 505385775 /nfs/dbraw/zinc/38/57/75/505385775.db2.gz HDWDZVWRUFXYNF-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423161 505385779 /nfs/dbraw/zinc/38/57/79/505385779.db2.gz HDWDZVWRUFXYNF-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423161 505385782 /nfs/dbraw/zinc/38/57/82/505385782.db2.gz HDWDZVWRUFXYNF-GOEBONIOSA-N 2 1 350.528 3.342 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000564336845 505388358 /nfs/dbraw/zinc/38/83/58/505388358.db2.gz BXARUYJWBYXSRH-IEBWSBKVSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000564336845 505388363 /nfs/dbraw/zinc/38/83/63/505388363.db2.gz BXARUYJWBYXSRH-IEBWSBKVSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000564336845 505388366 /nfs/dbraw/zinc/38/83/66/505388366.db2.gz BXARUYJWBYXSRH-IEBWSBKVSA-N 2 1 370.541 3.252 20 0 FGADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000564336845 505388368 /nfs/dbraw/zinc/38/83/68/505388368.db2.gz BXARUYJWBYXSRH-IEBWSBKVSA-N 2 1 370.541 3.252 20 0 FGADMP C[C@H](CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000561608810 505389479 /nfs/dbraw/zinc/38/94/79/505389479.db2.gz JUCIBILHSMPGDF-SFHLNBCPSA-N 2 1 372.557 3.165 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000552071565 505390913 /nfs/dbraw/zinc/39/09/13/505390913.db2.gz OROLSEWBDYTXOB-ZFWWWQNUSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000552071565 505390916 /nfs/dbraw/zinc/39/09/16/505390916.db2.gz OROLSEWBDYTXOB-ZFWWWQNUSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000552071565 505390917 /nfs/dbraw/zinc/39/09/17/505390917.db2.gz OROLSEWBDYTXOB-ZFWWWQNUSA-N 2 1 360.454 3.143 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000552071565 505390919 /nfs/dbraw/zinc/39/09/19/505390919.db2.gz OROLSEWBDYTXOB-ZFWWWQNUSA-N 2 1 360.454 3.143 20 0 FGADMP Cc1cccc2ncc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)n21 ZINC000552091501 505396508 /nfs/dbraw/zinc/39/65/08/505396508.db2.gz PAYWVPUXOIUTMR-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000567221098 505398680 /nfs/dbraw/zinc/39/86/80/505398680.db2.gz JUPQWAPPGFTJAV-QFIPXVFZSA-N 2 1 371.500 3.363 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284056 505418247 /nfs/dbraw/zinc/41/82/47/505418247.db2.gz AMBHTAZMRQERCA-NHCUHLMSSA-N 2 1 351.494 3.118 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NCc2ccccc2)C[C@@H]1c1ccccc1 ZINC000567284056 505418250 /nfs/dbraw/zinc/41/82/50/505418250.db2.gz AMBHTAZMRQERCA-NHCUHLMSSA-N 2 1 351.494 3.118 20 0 FGADMP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552251224 505441495 /nfs/dbraw/zinc/44/14/95/505441495.db2.gz OHOAJYMMSWYNDZ-QHAWAJNXSA-N 2 1 357.542 3.135 20 0 FGADMP Cc1cc(CNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583345 505460957 /nfs/dbraw/zinc/46/09/57/505460957.db2.gz NFQSCJVLLWWDBM-ROUUACIJSA-N 2 1 373.545 3.052 20 0 FGADMP Cc1cc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583345 505460960 /nfs/dbraw/zinc/46/09/60/505460960.db2.gz NFQSCJVLLWWDBM-ROUUACIJSA-N 2 1 373.545 3.052 20 0 FGADMP CC[C@H](NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(Cl)cc1 ZINC000555598476 505469461 /nfs/dbraw/zinc/46/94/61/505469461.db2.gz WCSDLSASDVHYAX-AZUAARDMSA-N 2 1 363.933 3.325 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000558733665 505476669 /nfs/dbraw/zinc/47/66/69/505476669.db2.gz DIRYBRBTXYGSII-XZOQPEGZSA-N 2 1 360.505 3.449 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645457 505523266 /nfs/dbraw/zinc/52/32/66/505523266.db2.gz NRDZZWSFGLQDBN-PMACEKPBSA-N 2 1 368.525 3.078 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000567645457 505523269 /nfs/dbraw/zinc/52/32/69/505523269.db2.gz NRDZZWSFGLQDBN-PMACEKPBSA-N 2 1 368.525 3.078 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000567647627 505523803 /nfs/dbraw/zinc/52/38/03/505523803.db2.gz BZDBJVOXRLIOAQ-GVDBMIGSSA-N 2 1 356.514 3.440 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000567688606 505537591 /nfs/dbraw/zinc/53/75/91/505537591.db2.gz USVCMMURNLCHKO-DLBZAZTESA-N 2 1 354.922 3.037 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000564931344 505560917 /nfs/dbraw/zinc/56/09/17/505560917.db2.gz GOLIQQQOTGJWMN-NHCUHLMSSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935236 505561014 /nfs/dbraw/zinc/56/10/14/505561014.db2.gz SQRHEKGSKYCDOO-DJKXOVBDSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000564935236 505561018 /nfs/dbraw/zinc/56/10/18/505561018.db2.gz SQRHEKGSKYCDOO-DJKXOVBDSA-N 2 1 363.933 3.227 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1C ZINC000596650324 506509474 /nfs/dbraw/zinc/50/94/74/506509474.db2.gz OYCQVRJKTPOBRQ-IGGMLHCZSA-N 2 1 362.489 3.229 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(Cl)ccc1I ZINC000596652596 506511739 /nfs/dbraw/zinc/51/17/39/506511739.db2.gz VJINYSFSAIYDTI-IUCAKERBSA-N 2 1 352.647 3.160 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000599630952 506540675 /nfs/dbraw/zinc/54/06/75/506540675.db2.gz LEUZGKVCZBGPEB-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000599630952 506540683 /nfs/dbraw/zinc/54/06/83/506540683.db2.gz LEUZGKVCZBGPEB-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000599630952 506540689 /nfs/dbraw/zinc/54/06/89/506540689.db2.gz LEUZGKVCZBGPEB-KNQAVFIVSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000583091206 506584464 /nfs/dbraw/zinc/58/44/64/506584464.db2.gz LJNCFBCJTWEYAB-NQIIRXRSSA-N 2 1 365.521 3.313 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000589742103 506641133 /nfs/dbraw/zinc/64/11/33/506641133.db2.gz AZMBFAXCXSDPIM-UHFFFAOYSA-N 2 1 372.557 3.026 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C(C)(C)C ZINC000608688414 506665298 /nfs/dbraw/zinc/66/52/98/506665298.db2.gz IZSXOWCBIOPRFL-UXHICEINSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000612720934 506707383 /nfs/dbraw/zinc/70/73/83/506707383.db2.gz ZKUDBDFMQYQMBW-UNMCSNQZSA-N 2 1 371.569 3.350 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000604090872 506710794 /nfs/dbraw/zinc/71/07/94/506710794.db2.gz JNHWFXWIHGLBHL-PKTZIBPZSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000604090872 506710800 /nfs/dbraw/zinc/71/08/00/506710800.db2.gz JNHWFXWIHGLBHL-PKTZIBPZSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090872 506710812 /nfs/dbraw/zinc/71/08/12/506710812.db2.gz JNHWFXWIHGLBHL-PKTZIBPZSA-N 2 1 352.522 3.495 20 0 FGADMP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000604090872 506710817 /nfs/dbraw/zinc/71/08/17/506710817.db2.gz JNHWFXWIHGLBHL-PKTZIBPZSA-N 2 1 352.522 3.495 20 0 FGADMP CCOc1ccccc1NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000583330537 506720961 /nfs/dbraw/zinc/72/09/61/506720961.db2.gz CTCVLUYGOYHXDD-UHFFFAOYSA-N 2 1 359.514 3.220 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604388587 506813838 /nfs/dbraw/zinc/81/38/38/506813838.db2.gz JCZDZUASAJMANU-RDJZCZTQSA-N 2 1 371.447 3.358 20 0 FGADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388587 506813843 /nfs/dbraw/zinc/81/38/43/506813843.db2.gz JCZDZUASAJMANU-RDJZCZTQSA-N 2 1 371.447 3.358 20 0 FGADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000597231284 506850183 /nfs/dbraw/zinc/85/01/83/506850183.db2.gz PUGWUYLKMPCCIR-LJQANCHMSA-N 2 1 358.526 3.468 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000583662957 506901223 /nfs/dbraw/zinc/90/12/23/506901223.db2.gz FUBNJJXOBZWMAS-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000583662957 506901229 /nfs/dbraw/zinc/90/12/29/506901229.db2.gz FUBNJJXOBZWMAS-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000583662957 506901237 /nfs/dbraw/zinc/90/12/37/506901237.db2.gz FUBNJJXOBZWMAS-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000583662957 506901248 /nfs/dbraw/zinc/90/12/48/506901248.db2.gz FUBNJJXOBZWMAS-FGZHOGPDSA-N 2 1 363.505 3.000 20 0 FGADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000604773613 506938287 /nfs/dbraw/zinc/93/82/87/506938287.db2.gz RPEBXFAMNGIAST-YOEHRIQHSA-N 2 1 353.938 3.301 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000594105048 506941112 /nfs/dbraw/zinc/94/11/12/506941112.db2.gz WYUQRGYNLLJWOF-SFHLNBCPSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000604815941 506954176 /nfs/dbraw/zinc/95/41/76/506954176.db2.gz BOACZZVPXSMVRJ-MHORFTMASA-N 2 1 354.583 3.018 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000594310436 507074842 /nfs/dbraw/zinc/07/48/42/507074842.db2.gz FJHJUTVSVAUZDT-RTBURBONSA-N 2 1 366.594 3.403 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1cccc(OC)c1 ZINC000591095396 507112105 /nfs/dbraw/zinc/11/21/05/507112105.db2.gz KCTYJTVZNQMCIY-UXHICEINSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404644 507180496 /nfs/dbraw/zinc/18/04/96/507180496.db2.gz MHSZARCCBZKAER-IRXDYDNUSA-N 2 1 352.482 3.097 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000600931495 507189871 /nfs/dbraw/zinc/18/98/71/507189871.db2.gz BYYXYIRGPXSEJA-IBGZPJMESA-N 2 1 359.901 3.321 20 0 FGADMP O=C(CCN[C@@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167500 507191074 /nfs/dbraw/zinc/19/10/74/507191074.db2.gz OQTFAGJXRWMFMX-CVEARBPZSA-N 2 1 355.404 3.250 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cccc(C(F)(F)F)c1 ZINC000584167500 507191082 /nfs/dbraw/zinc/19/10/82/507191082.db2.gz OQTFAGJXRWMFMX-CVEARBPZSA-N 2 1 355.404 3.250 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)C2 ZINC000584200969 507208906 /nfs/dbraw/zinc/20/89/06/507208906.db2.gz XJQLBQZFYPXTRB-SFHVURJKSA-N 2 1 366.509 3.056 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000600960427 507209167 /nfs/dbraw/zinc/20/91/67/507209167.db2.gz XKZZKOYKOWXCEM-YXTQBTIXSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1)[N@H+]1CCc2ccccc2C1 ZINC000600960427 507209171 /nfs/dbraw/zinc/20/91/71/507209171.db2.gz XKZZKOYKOWXCEM-YXTQBTIXSA-N 2 1 369.553 3.297 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)C1 ZINC000584240769 507232470 /nfs/dbraw/zinc/23/24/70/507232470.db2.gz RIRDHCMBLCZMOB-HNNXBMFYSA-N 2 1 358.511 3.055 20 0 FGADMP C[C@H]1CCN(CC(=O)Nc2cccc(CN(C)Cc3cscn3)c2)C1 ZINC000584240769 507232477 /nfs/dbraw/zinc/23/24/77/507232477.db2.gz RIRDHCMBLCZMOB-HNNXBMFYSA-N 2 1 358.511 3.055 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000594901604 507308926 /nfs/dbraw/zinc/30/89/26/507308926.db2.gz MNMSLCGCFUSACE-NRFANRHFSA-N 2 1 370.541 3.321 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595001549 507348082 /nfs/dbraw/zinc/34/80/82/507348082.db2.gz WXKQDULYVMMZED-IJXRJRJASA-N 2 1 356.510 3.076 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536111 507438326 /nfs/dbraw/zinc/43/83/26/507438326.db2.gz SGCDBEYYJFCLMY-OALUTQOASA-N 2 1 363.933 3.420 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606635578 507459727 /nfs/dbraw/zinc/45/97/27/507459727.db2.gz NHPWNJHTRQKDFF-QGZVFWFLSA-N 2 1 360.546 3.056 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000595381563 507475753 /nfs/dbraw/zinc/47/57/53/507475753.db2.gz LJGYPJYMASMKDO-QGZVFWFLSA-N 2 1 361.530 3.010 20 0 FGADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n2c1CCCC2 ZINC000598640838 507529890 /nfs/dbraw/zinc/52/98/90/507529890.db2.gz OIANALJTKKYUBO-KRWDZBQOSA-N 2 1 361.530 3.355 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584839530 507533570 /nfs/dbraw/zinc/53/35/70/507533570.db2.gz BOJLTXZBEUNCGU-KNPMLCFXSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000584839530 507533575 /nfs/dbraw/zinc/53/35/75/507533575.db2.gz BOJLTXZBEUNCGU-KNPMLCFXSA-N 2 1 355.404 3.092 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1CCCC2 ZINC000607055831 507599609 /nfs/dbraw/zinc/59/96/09/507599609.db2.gz GQKHDHUVHGJLRA-LJQANCHMSA-N 2 1 372.557 3.445 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175904 507645018 /nfs/dbraw/zinc/64/50/18/507645018.db2.gz ZCKMJSKRBYWENB-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175904 507645024 /nfs/dbraw/zinc/64/50/24/507645024.db2.gz ZCKMJSKRBYWENB-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175904 507645032 /nfs/dbraw/zinc/64/50/32/507645032.db2.gz ZCKMJSKRBYWENB-WOJBJXKFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000607246883 507670321 /nfs/dbraw/zinc/67/03/21/507670321.db2.gz SWIQGJJTHZLHNT-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCCC1 ZINC000592481404 507674629 /nfs/dbraw/zinc/67/46/29/507674629.db2.gz IOTUJZQKMSCGJM-AZUAARDMSA-N 2 1 364.578 3.203 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CCNc4cnccn4)[C@@H]3C2)cc1 ZINC000513662396 516710154 /nfs/dbraw/zinc/71/01/54/516710154.db2.gz VDCFAZCNGKFTBE-PWRODBHTSA-N 2 1 365.525 3.169 20 0 FGADMP c1cc(-c2ccc(NCC3CCOCC3)nc2)ccc1C[NH+]1CCOCC1 ZINC000629733357 522424722 /nfs/dbraw/zinc/42/47/22/522424722.db2.gz OSZIFVOAKUOXSX-UHFFFAOYSA-N 2 1 367.493 3.419 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC000826330612 607910061 /nfs/dbraw/zinc/91/00/61/607910061.db2.gz ASEUISQMLOARLV-CQSZACIVSA-N 2 1 359.437 3.212 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000826330808 608450125 /nfs/dbraw/zinc/45/01/25/608450125.db2.gz IVQORJMDPNQCNP-UHFFFAOYSA-N 2 1 367.501 3.310 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)CC(C)C ZINC000826330808 608450127 /nfs/dbraw/zinc/45/01/27/608450127.db2.gz IVQORJMDPNQCNP-UHFFFAOYSA-N 2 1 367.501 3.310 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548371 609147703 /nfs/dbraw/zinc/14/77/03/609147703.db2.gz WMSCXRNKQZMQAA-CQSZACIVSA-N 2 1 372.492 3.454 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000824532595 609350372 /nfs/dbraw/zinc/35/03/72/609350372.db2.gz VQRPMYHSEBKWRO-LZWOXQAQSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@@H](C(=O)NCc1cccs1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048564039 695883178 /nfs/dbraw/zinc/88/31/78/695883178.db2.gz BMFWEIZXQVHJNX-KRWDZBQOSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401828 704961825 /nfs/dbraw/zinc/96/18/25/704961825.db2.gz PHDURXYTUYYTMG-HZPDHXFCSA-N 2 1 363.933 3.312 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N2CCOCC2)cc1Cl ZINC000152401828 704961828 /nfs/dbraw/zinc/96/18/28/704961828.db2.gz PHDURXYTUYYTMG-HZPDHXFCSA-N 2 1 363.933 3.312 20 0 FGADMP O=c1sc2c(n1C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)CCCC2 ZINC000155081837 705062177 /nfs/dbraw/zinc/06/21/77/705062177.db2.gz CNPZCFHXUMHJAR-UHFFFAOYSA-N 2 1 363.571 3.334 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177549957 705627704 /nfs/dbraw/zinc/62/77/04/705627704.db2.gz MJMPTVCVPKGVQL-KRWDZBQOSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000237529217 713593023 /nfs/dbraw/zinc/59/30/23/713593023.db2.gz KNHVNLIQCFSJBV-OXJNMPFZSA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245905426 713613466 /nfs/dbraw/zinc/61/34/66/713613466.db2.gz FETORUJUQIYBKW-FGTMMUONSA-N 2 1 353.551 3.391 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@H]21 ZINC000261897195 713715663 /nfs/dbraw/zinc/71/56/63/713715663.db2.gz OKOROYYWISMVAE-UXIGCNINSA-N 2 1 356.297 3.381 20 0 FGADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000271556265 713753366 /nfs/dbraw/zinc/75/33/66/713753366.db2.gz VVVSKRXCSVMADV-OKZBNKHCSA-N 2 1 350.503 3.330 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000310591320 713799593 /nfs/dbraw/zinc/79/95/93/713799593.db2.gz GHIFSHHEEWGIGZ-OWSLCNJRSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322908281 713813703 /nfs/dbraw/zinc/81/37/03/713813703.db2.gz IUNCTQRURVMFTJ-QCLGFWRNSA-N 2 1 351.535 3.379 20 0 FGADMP CC(C)(C)OC(=O)Nc1ncc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000374328280 713913800 /nfs/dbraw/zinc/91/38/00/713913800.db2.gz IAGUFTVSLBISKV-CHWSQXEVSA-N 2 1 352.504 3.207 20 0 FGADMP FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000394117849 713990847 /nfs/dbraw/zinc/99/08/47/713990847.db2.gz XYONRTHRFXEHKF-MRXNPFEDSA-N 2 1 352.404 3.057 20 0 FGADMP FC(F)(F)Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000394117849 713990849 /nfs/dbraw/zinc/99/08/49/713990849.db2.gz XYONRTHRFXEHKF-MRXNPFEDSA-N 2 1 352.404 3.057 20 0 FGADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000419003680 714010600 /nfs/dbraw/zinc/01/06/00/714010600.db2.gz NMRHDUAWZWMZGO-QWHCGFSZSA-N 2 1 353.388 3.145 20 0 FGADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000419003680 714010605 /nfs/dbraw/zinc/01/06/05/714010605.db2.gz NMRHDUAWZWMZGO-QWHCGFSZSA-N 2 1 353.388 3.145 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cc2c(c(Br)c1)OCO2)C1CC1 ZINC000453602063 714057731 /nfs/dbraw/zinc/05/77/31/714057731.db2.gz ORUXXQWIQIOUDX-UHFFFAOYSA-N 2 1 355.276 3.142 20 0 FGADMP C[NH+](C)Cc1cnc(CNCc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000510252570 714125301 /nfs/dbraw/zinc/12/53/01/714125301.db2.gz FMMKWQNFNGSZQG-UHFFFAOYSA-N 2 1 358.555 3.480 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(C)C)s1 ZINC000521851900 714152050 /nfs/dbraw/zinc/15/20/50/714152050.db2.gz QAHVNXKXBGCVHV-INIZCTEOSA-N 2 1 351.560 3.360 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000522208188 714176523 /nfs/dbraw/zinc/17/65/23/714176523.db2.gz IMPYANARSKQTPW-IBGZPJMESA-N 2 1 363.933 3.295 20 0 FGADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000531959572 714426324 /nfs/dbraw/zinc/42/63/24/714426324.db2.gz HBWZYLIHRQSUEA-HNNXBMFYSA-N 2 1 351.922 3.265 20 0 FGADMP CC(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000580071553 714504213 /nfs/dbraw/zinc/50/42/13/714504213.db2.gz XALGWSZGXMOPLI-UHFFFAOYSA-N 2 1 372.340 3.462 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000642630905 717985753 /nfs/dbraw/zinc/98/57/53/717985753.db2.gz QPRSQXCHIPQCLG-BPUTZDHNSA-N 2 1 365.905 3.282 20 0 FGADMP CSc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617503411 714662659 /nfs/dbraw/zinc/66/26/59/714662659.db2.gz HXANLSUVOWYIAI-ZDUSSCGKSA-N 2 1 357.951 3.064 20 0 FGADMP CSc1ccc(Cl)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617503411 714662660 /nfs/dbraw/zinc/66/26/60/714662660.db2.gz HXANLSUVOWYIAI-ZDUSSCGKSA-N 2 1 357.951 3.064 20 0 FGADMP Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617502166 714662916 /nfs/dbraw/zinc/66/29/16/714662916.db2.gz FOOGPJQVFCDZIE-ZDUSSCGKSA-N 2 1 364.921 3.132 20 0 FGADMP Cc1c2cccc(Cl)c2[nH]c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617502166 714662918 /nfs/dbraw/zinc/66/29/18/714662918.db2.gz FOOGPJQVFCDZIE-ZDUSSCGKSA-N 2 1 364.921 3.132 20 0 FGADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OCc1cccs1 ZINC000623086764 715162674 /nfs/dbraw/zinc/16/26/74/715162674.db2.gz IXCWZCJYUFJARS-UHFFFAOYSA-N 2 1 357.479 3.402 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)CC1(C)C ZINC000623507476 715350759 /nfs/dbraw/zinc/35/07/59/715350759.db2.gz MCRGLSRDUPPHBQ-NVXWUHKLSA-N 2 1 369.347 3.063 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509573 715351285 /nfs/dbraw/zinc/35/12/85/715351285.db2.gz JEJFFZAHRFVRKL-HZPDHXFCSA-N 2 1 366.347 3.490 20 0 FGADMP COc1cc(OC)c(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c(OC)c1 ZINC000623538599 715357112 /nfs/dbraw/zinc/35/71/12/715357112.db2.gz LDHCCTDVGSACGX-GJZGRUSLSA-N 2 1 350.503 3.106 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ncc1Br ZINC000623575333 715364922 /nfs/dbraw/zinc/36/49/22/715364922.db2.gz VWDVUYJYXBNXGS-HNNXBMFYSA-N 2 1 352.320 3.364 20 0 FGADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ncc1Br ZINC000623575333 715364926 /nfs/dbraw/zinc/36/49/26/715364926.db2.gz VWDVUYJYXBNXGS-HNNXBMFYSA-N 2 1 352.320 3.364 20 0 FGADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000623656320 715381007 /nfs/dbraw/zinc/38/10/07/715381007.db2.gz RYUHYTJFFWQQHO-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000623656320 715381014 /nfs/dbraw/zinc/38/10/14/715381014.db2.gz RYUHYTJFFWQQHO-ZDUSSCGKSA-N 2 1 369.303 3.042 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514350 716301627 /nfs/dbraw/zinc/30/16/27/716301627.db2.gz RIZAVXDTVNYEQF-GOEBONIOSA-N 2 1 368.319 3.008 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000629514350 716301629 /nfs/dbraw/zinc/30/16/29/716301629.db2.gz RIZAVXDTVNYEQF-GOEBONIOSA-N 2 1 368.319 3.008 20 0 FGADMP CCSc1ccc(C[N@H+](C)CCOCC[NH2+]C)c(Br)c1 ZINC000629572349 716310786 /nfs/dbraw/zinc/31/07/86/716310786.db2.gz QWLDHKXWJTXNEC-UHFFFAOYSA-N 2 1 361.349 3.229 20 0 FGADMP CCSc1ccc(C[N@@H+](C)CCOCC[NH2+]C)c(Br)c1 ZINC000629572349 716310791 /nfs/dbraw/zinc/31/07/91/716310791.db2.gz QWLDHKXWJTXNEC-UHFFFAOYSA-N 2 1 361.349 3.229 20 0 FGADMP COCCc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000631110094 716566992 /nfs/dbraw/zinc/56/69/92/716566992.db2.gz VPEKLMMDGQCUJH-AEFFLSMTSA-N 2 1 359.539 3.332 20 0 FGADMP COCCc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631110094 716566997 /nfs/dbraw/zinc/56/69/97/716566997.db2.gz VPEKLMMDGQCUJH-AEFFLSMTSA-N 2 1 359.539 3.332 20 0 FGADMP FC(F)(F)c1ccn(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000634687582 717108094 /nfs/dbraw/zinc/10/80/94/717108094.db2.gz QPSZJYBFPGXKMR-UHFFFAOYSA-N 2 1 352.404 3.156 20 0 FGADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000636005638 717221336 /nfs/dbraw/zinc/22/13/36/717221336.db2.gz LVMOCCPSTACTTA-KRWDZBQOSA-N 2 1 365.905 3.236 20 0 FGADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000636005638 717221341 /nfs/dbraw/zinc/22/13/41/717221341.db2.gz LVMOCCPSTACTTA-KRWDZBQOSA-N 2 1 365.905 3.236 20 0 FGADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCCC2(CCC[N@H+](C[C@H]3CCO[C@H]3C)C2)C1 ZINC000639646327 717584611 /nfs/dbraw/zinc/58/46/11/717584611.db2.gz ORPQOAAEILWMCP-PPSGHYAZSA-N 2 1 350.547 3.014 20 0 FGADMP Cc1sc2nc([C@@H](C)[N@@H+]3CCC4(C3)CC[NH+](C)CC4)[nH]c(=O)c2c1C ZINC000639757500 717598660 /nfs/dbraw/zinc/59/86/60/717598660.db2.gz NGMWTXYTRILMGR-CYBMUJFWSA-N 2 1 360.527 3.492 20 0 FGADMP Cc1sc2nc([C@@H](C)[N@H+]3CCC4(C3)CC[NH+](C)CC4)[nH]c(=O)c2c1C ZINC000639757500 717598666 /nfs/dbraw/zinc/59/86/66/717598666.db2.gz NGMWTXYTRILMGR-CYBMUJFWSA-N 2 1 360.527 3.492 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759856 717599891 /nfs/dbraw/zinc/59/98/91/717599891.db2.gz LXNFLOHVOAXKSS-KRWDZBQOSA-N 2 1 361.555 3.002 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000644584025 718128484 /nfs/dbraw/zinc/12/84/84/718128484.db2.gz KDSWICNCOHYVOR-RCCFBDPRSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000644584025 718128486 /nfs/dbraw/zinc/12/84/86/718128486.db2.gz KDSWICNCOHYVOR-RCCFBDPRSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000644585923 718128932 /nfs/dbraw/zinc/12/89/32/718128932.db2.gz JPUNJCSHDLOOFP-OKZBNKHCSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000644585923 718128935 /nfs/dbraw/zinc/12/89/35/718128935.db2.gz JPUNJCSHDLOOFP-OKZBNKHCSA-N 2 1 358.448 3.438 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188068 718191309 /nfs/dbraw/zinc/19/13/09/718191309.db2.gz IAOGPTLNHVUULK-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188068 718191310 /nfs/dbraw/zinc/19/13/10/718191310.db2.gz IAOGPTLNHVUULK-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188068 718191314 /nfs/dbraw/zinc/19/13/14/718191314.db2.gz IAOGPTLNHVUULK-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000645188068 718191317 /nfs/dbraw/zinc/19/13/17/718191317.db2.gz IAOGPTLNHVUULK-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000645956753 718254717 /nfs/dbraw/zinc/25/47/17/718254717.db2.gz AJCYTDIQGNMRSP-ZDUSSCGKSA-N 2 1 372.340 3.462 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295115 718276082 /nfs/dbraw/zinc/27/60/82/718276082.db2.gz VVDSNSDVTCTNIF-FMEYXAORSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295115 718276084 /nfs/dbraw/zinc/27/60/84/718276084.db2.gz VVDSNSDVTCTNIF-FMEYXAORSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295155 718276114 /nfs/dbraw/zinc/27/61/14/718276114.db2.gz YWLRNGLFNFHLEC-WBVHZDCISA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295155 718276115 /nfs/dbraw/zinc/27/61/15/718276115.db2.gz YWLRNGLFNFHLEC-WBVHZDCISA-N 2 1 355.885 3.247 20 0 FGADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235884 718341819 /nfs/dbraw/zinc/34/18/19/718341819.db2.gz JBTDDCMWHBSONU-INMHGKMJSA-N 2 1 358.404 3.225 20 0 FGADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(OC(F)(F)F)c1 ZINC000647235884 718341821 /nfs/dbraw/zinc/34/18/21/718341821.db2.gz JBTDDCMWHBSONU-INMHGKMJSA-N 2 1 358.404 3.225 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(Br)cc1O ZINC000647361068 718352417 /nfs/dbraw/zinc/35/24/17/718352417.db2.gz CQNJZXMFKGLWAS-BPLDGKMQSA-N 2 1 369.303 3.126 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(Br)cc1O ZINC000647361068 718352420 /nfs/dbraw/zinc/35/24/20/718352420.db2.gz CQNJZXMFKGLWAS-BPLDGKMQSA-N 2 1 369.303 3.126 20 0 FGADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000647548782 718367197 /nfs/dbraw/zinc/36/71/97/718367197.db2.gz SXNQPKPSDUEEBS-YOEHRIQHSA-N 2 1 356.432 3.341 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975280 718390980 /nfs/dbraw/zinc/39/09/80/718390980.db2.gz UNVXOSCAAWXEFU-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccc(F)cc1Cl ZINC000647975280 718390983 /nfs/dbraw/zinc/39/09/83/718390983.db2.gz UNVXOSCAAWXEFU-ZIAGYGMSSA-N 2 1 353.869 3.129 20 0 FGADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CCCC1 ZINC000648159443 718401947 /nfs/dbraw/zinc/40/19/47/718401947.db2.gz JTCGGZPFDDIOQS-UHFFFAOYSA-N 2 1 370.324 3.346 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3cc(Cl)cnc3o2)C1 ZINC000648379247 718420492 /nfs/dbraw/zinc/42/04/92/718420492.db2.gz WTHVQXDFDRMXCA-MRXNPFEDSA-N 2 1 351.878 3.414 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899645 718458108 /nfs/dbraw/zinc/45/81/08/718458108.db2.gz UNUQRNVYBYCHCU-OLMNPRSZSA-N 2 1 351.922 3.179 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899645 718458110 /nfs/dbraw/zinc/45/81/10/718458110.db2.gz UNUQRNVYBYCHCU-OLMNPRSZSA-N 2 1 351.922 3.179 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC000648899645 718458112 /nfs/dbraw/zinc/45/81/12/718458112.db2.gz UNUQRNVYBYCHCU-OLMNPRSZSA-N 2 1 351.922 3.179 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000650706091 718716813 /nfs/dbraw/zinc/71/68/13/718716813.db2.gz CYPJWLKNUDHWSB-NUJGCVRESA-N 2 1 354.441 3.049 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)sc2c1 ZINC000650707484 718717497 /nfs/dbraw/zinc/71/74/97/718717497.db2.gz HAXHHTZNFKRYCA-VBQJREDUSA-N 2 1 361.511 3.023 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccccc2Br)C1 ZINC000650722433 718719876 /nfs/dbraw/zinc/71/98/76/718719876.db2.gz SQASEWZQIYVYGL-OIISXLGYSA-N 2 1 353.304 3.310 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)sc2c1 ZINC000650724010 718721242 /nfs/dbraw/zinc/72/12/42/718721242.db2.gz WUURVTBGCRRYCH-KBRIMQKVSA-N 2 1 361.511 3.166 20 0 FGADMP CC[N@@H+](CCCNC(=O)N[C@@H](C)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000650895289 718741503 /nfs/dbraw/zinc/74/15/03/718741503.db2.gz WASOSTFLTDHTGC-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CCc3c(C[NH+](C)C)nn(C(C)C)c3C2)[nH+]1 ZINC001164647434 719311847 /nfs/dbraw/zinc/31/18/47/719311847.db2.gz BBJWIZJGHRNCQW-UHFFFAOYSA-N 2 1 352.486 3.273 20 0 FGADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1Br ZINC000655775292 719338353 /nfs/dbraw/zinc/33/83/53/719338353.db2.gz VNEWGNMWTKZPFQ-INIZCTEOSA-N 2 1 353.304 3.100 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cccc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682480 719603610 /nfs/dbraw/zinc/60/36/10/719603610.db2.gz DJSZGRDGGHVICZ-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cccc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164682480 719603614 /nfs/dbraw/zinc/60/36/14/719603614.db2.gz DJSZGRDGGHVICZ-UHFFFAOYSA-N 2 1 369.847 3.015 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc3ccncc3s2)c2cccs2)CC1 ZINC000657286590 719618327 /nfs/dbraw/zinc/61/83/27/719618327.db2.gz PXJODFWQCRPTQK-QGZVFWFLSA-N 2 1 372.563 3.436 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264567 719885455 /nfs/dbraw/zinc/88/54/55/719885455.db2.gz QBADNDCOYGFIEB-OZVIIMIRSA-N 2 1 358.313 3.195 20 0 FGADMP C[NH2+][C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(Cl)c1Cl ZINC000659264567 719885465 /nfs/dbraw/zinc/88/54/65/719885465.db2.gz QBADNDCOYGFIEB-OZVIIMIRSA-N 2 1 358.313 3.195 20 0 FGADMP OC1(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010315 719971339 /nfs/dbraw/zinc/97/13/39/719971339.db2.gz IFXCDFGOKVMWAI-WOJBJXKFSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010315 719971340 /nfs/dbraw/zinc/97/13/40/719971340.db2.gz IFXCDFGOKVMWAI-WOJBJXKFSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010315 719971344 /nfs/dbraw/zinc/97/13/44/719971344.db2.gz IFXCDFGOKVMWAI-WOJBJXKFSA-N 2 1 360.567 3.231 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338740 720032897 /nfs/dbraw/zinc/03/28/97/720032897.db2.gz LWZJAZDUXPHLBE-DLBZAZTESA-N 2 1 366.575 3.303 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495727 720060242 /nfs/dbraw/zinc/06/02/42/720060242.db2.gz CEBKPZSJPJTYAG-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495727 720060247 /nfs/dbraw/zinc/06/02/47/720060247.db2.gz CEBKPZSJPJTYAG-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495727 720060253 /nfs/dbraw/zinc/06/02/53/720060253.db2.gz CEBKPZSJPJTYAG-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3ccc(N(C)C)nc3)C2)s1 ZINC000660495727 720060258 /nfs/dbraw/zinc/06/02/58/720060258.db2.gz CEBKPZSJPJTYAG-SFHVURJKSA-N 2 1 358.555 3.471 20 0 FGADMP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151195 720384245 /nfs/dbraw/zinc/38/42/45/720384245.db2.gz FTVXWLLIYVOYTB-RDTXWAMCSA-N 2 1 356.432 3.340 20 0 FGADMP C[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151195 720384249 /nfs/dbraw/zinc/38/42/49/720384249.db2.gz FTVXWLLIYVOYTB-RDTXWAMCSA-N 2 1 356.432 3.340 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCC(=O)NCc2ccccc2Cl)[C@@H]1CCC[NH3+] ZINC000662313688 720414168 /nfs/dbraw/zinc/41/41/68/720414168.db2.gz KSSAVQJJYJCYPT-CRAIPNDOSA-N 2 1 351.922 3.186 20 0 FGADMP C[N@H+](CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C[C@H]1CC1(C)C ZINC000662345820 720417434 /nfs/dbraw/zinc/41/74/34/720417434.db2.gz MDTVMZQWSORUPR-QGZVFWFLSA-N 2 1 361.555 3.152 20 0 FGADMP CCC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662356221 720418191 /nfs/dbraw/zinc/41/81/91/720418191.db2.gz LVWFIKANICUAKT-INIZCTEOSA-N 2 1 358.313 3.245 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662511049 720436815 /nfs/dbraw/zinc/43/68/15/720436815.db2.gz IBMGNQCBDCRLFT-RBUKOAKNSA-N 2 1 355.869 3.118 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2cccc3c2C[NH2+]C3)[C@H]1c1ccc(Cl)cc1 ZINC000662511049 720436818 /nfs/dbraw/zinc/43/68/18/720436818.db2.gz IBMGNQCBDCRLFT-RBUKOAKNSA-N 2 1 355.869 3.118 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2cc3c(s2)CC[NH2+]C3)c1 ZINC000662696374 720453210 /nfs/dbraw/zinc/45/32/10/720453210.db2.gz YHIZVYMUUSXNNK-UHFFFAOYSA-N 2 1 357.523 3.164 20 0 FGADMP C[C@](O)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)C(F)(F)F ZINC000663368264 720506485 /nfs/dbraw/zinc/50/64/85/720506485.db2.gz CFJSLHOCCHPZSP-IRXDYDNUSA-N 2 1 356.432 3.192 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]ccc4[nH]ccc43)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837871 720512194 /nfs/dbraw/zinc/51/21/94/720512194.db2.gz QGSDXOXBJZQIFI-ABSDTBQOSA-N 2 1 364.497 3.137 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000663452494 720516730 /nfs/dbraw/zinc/51/67/30/720516730.db2.gz ZKICJIRBHGCYOU-CVEARBPZSA-N 2 1 364.559 3.057 20 0 FGADMP CSc1ccccc1[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664815650 720694476 /nfs/dbraw/zinc/69/44/76/720694476.db2.gz RTDDSDPSRMQZAT-HOTGVXAUSA-N 2 1 366.575 3.041 20 0 FGADMP CSc1ccccc1[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664815650 720694481 /nfs/dbraw/zinc/69/44/81/720694481.db2.gz RTDDSDPSRMQZAT-HOTGVXAUSA-N 2 1 366.575 3.041 20 0 FGADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259562 720748184 /nfs/dbraw/zinc/74/81/84/720748184.db2.gz IXSDHZRRFBQLQL-QNDJGXFYSA-N 2 1 350.478 3.075 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@@H]2C)[nH+]1 ZINC001164860383 720970345 /nfs/dbraw/zinc/97/03/45/720970345.db2.gz NRMMMPRDTQLQNU-HNNXBMFYSA-N 2 1 352.486 3.489 20 0 FGADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(C(F)(F)F)cc2)n1C ZINC000668160265 721248244 /nfs/dbraw/zinc/24/82/44/721248244.db2.gz XHUJYTDNRDPYRK-UHFFFAOYSA-N 2 1 354.420 3.311 20 0 FGADMP Cn1ccc2c1cc[nH+]c2N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164897080 721522728 /nfs/dbraw/zinc/52/27/28/721522728.db2.gz DPRHYBPLGZUKAO-FUHWJXTLSA-N 2 1 366.440 3.054 20 0 FGADMP Cc1cccc2cc[nH+]c(N3CCCC34CC[NH+](CC(=O)N(C)C)CC4)c12 ZINC001165013359 721747875 /nfs/dbraw/zinc/74/78/75/721747875.db2.gz ZKPDPEKCWMROCB-UHFFFAOYSA-N 2 1 366.509 3.066 20 0 FGADMP CCc1ccc(Cl)c(CC)c1NC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000675953939 721780295 /nfs/dbraw/zinc/78/02/95/721780295.db2.gz PSGODFJPBCOCPX-IYBDPMFKSA-N 2 1 363.933 3.335 20 0 FGADMP Cc1nc([C@@H](C)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c(C)s1 ZINC000676489023 721808731 /nfs/dbraw/zinc/80/87/31/721808731.db2.gz GWCZHTRXTQNMRT-OAHLLOKOSA-N 2 1 359.543 3.018 20 0 FGADMP CN(C)c1cc[nH+]c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1 ZINC001165026194 721811157 /nfs/dbraw/zinc/81/11/57/721811157.db2.gz PKHYISWOWMRXEH-WMQCIHAUSA-N 2 1 365.525 3.280 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1cccc(Br)c1 ZINC000677241232 721875569 /nfs/dbraw/zinc/87/55/69/721875569.db2.gz NUFCYBLATDCCIN-VNQPRFMTSA-N 2 1 353.304 3.433 20 0 FGADMP CN(CC1CC[NH+](C)CC1)c1[nH+]cnc2c1ccn2Cc1ccc(F)cc1 ZINC001165041320 721934246 /nfs/dbraw/zinc/93/42/46/721934246.db2.gz QEQFNHWCUKIOEH-UHFFFAOYSA-N 2 1 367.472 3.397 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000678073952 721937008 /nfs/dbraw/zinc/93/70/08/721937008.db2.gz OYUFTCOGOTVSHI-GOSISDBHSA-N 2 1 355.448 3.307 20 0 FGADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000678073952 721937009 /nfs/dbraw/zinc/93/70/09/721937009.db2.gz OYUFTCOGOTVSHI-GOSISDBHSA-N 2 1 355.448 3.307 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000700802397 722409931 /nfs/dbraw/zinc/40/99/31/722409931.db2.gz IQTKMHWHKGWSQB-FGTMMUONSA-N 2 1 353.551 3.391 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000709458747 722413155 /nfs/dbraw/zinc/41/31/55/722413155.db2.gz OFBJUYLKQVHILF-FJIDUMEYSA-N 2 1 351.535 3.096 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccccc2SC(F)F)CC1 ZINC000727931456 722448749 /nfs/dbraw/zinc/44/87/49/722448749.db2.gz LQUJMXJFCCBMJJ-UHFFFAOYSA-N 2 1 357.470 3.213 20 0 FGADMP c1csc(C[N@H+]2CCC[C@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)c1 ZINC000733188701 722493615 /nfs/dbraw/zinc/49/36/15/722493615.db2.gz LBYCRWFDVUJOIH-MRXNPFEDSA-N 2 1 357.527 3.462 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@H](CNc3nc(N4CCCC4)cc[nH+]3)C2)c1 ZINC000733188701 722493616 /nfs/dbraw/zinc/49/36/16/722493616.db2.gz LBYCRWFDVUJOIH-MRXNPFEDSA-N 2 1 357.527 3.462 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886327 722539129 /nfs/dbraw/zinc/53/91/29/722539129.db2.gz MDNPHMQJCYKEEU-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886327 722539130 /nfs/dbraw/zinc/53/91/30/722539130.db2.gz MDNPHMQJCYKEEU-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C ZINC000740886327 722539131 /nfs/dbraw/zinc/53/91/31/722539131.db2.gz MDNPHMQJCYKEEU-SJLPKXTDSA-N 2 1 353.551 3.438 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666942 722613163 /nfs/dbraw/zinc/61/31/63/722613163.db2.gz FGNVQCBXMAVMSF-MAUKXSAKSA-N 2 1 356.432 3.403 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666942 722613164 /nfs/dbraw/zinc/61/31/64/722613164.db2.gz FGNVQCBXMAVMSF-MAUKXSAKSA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666942 722613166 /nfs/dbraw/zinc/61/31/66/722613166.db2.gz FGNVQCBXMAVMSF-MAUKXSAKSA-N 2 1 356.432 3.403 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000746666942 722613168 /nfs/dbraw/zinc/61/31/68/722613168.db2.gz FGNVQCBXMAVMSF-MAUKXSAKSA-N 2 1 356.432 3.403 20 0 FGADMP Cc1nc(Cl)cc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000751117488 722795054 /nfs/dbraw/zinc/79/50/54/722795054.db2.gz BIHHIWWREZIAGZ-UHFFFAOYSA-N 2 1 365.953 3.071 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000760659829 723076648 /nfs/dbraw/zinc/07/66/48/723076648.db2.gz ZVPVPENEMHNEJP-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000760659829 723076661 /nfs/dbraw/zinc/07/66/61/723076661.db2.gz ZVPVPENEMHNEJP-IAGOWNOFSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000760840210 723097618 /nfs/dbraw/zinc/09/76/18/723097618.db2.gz GRSYRBNLYHNVAU-FUHWJXTLSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000762249201 723228730 /nfs/dbraw/zinc/22/87/30/723228730.db2.gz AVUGDWFVQRFZBM-ICSRJNTNSA-N 2 1 363.933 3.468 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1c1ccc(Cl)cc1 ZINC000762249201 723228733 /nfs/dbraw/zinc/22/87/33/723228733.db2.gz AVUGDWFVQRFZBM-ICSRJNTNSA-N 2 1 363.933 3.468 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000764461188 723415310 /nfs/dbraw/zinc/41/53/10/723415310.db2.gz BOJBTQLHYNJDPC-GOEBONIOSA-N 2 1 364.946 3.436 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817704 723542858 /nfs/dbraw/zinc/54/28/58/723542858.db2.gz PQLOFULBBCGVQP-UXPWSPDFSA-N 2 1 368.949 3.274 20 0 FGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)c1 ZINC000795918305 723613926 /nfs/dbraw/zinc/61/39/26/723613926.db2.gz XUJYMTVOWBOQDW-GOSISDBHSA-N 2 1 364.555 3.483 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CC3CCC4(CC3)OCCO4)C2)c1 ZINC000795918305 723613927 /nfs/dbraw/zinc/61/39/27/723613927.db2.gz XUJYMTVOWBOQDW-GOSISDBHSA-N 2 1 364.555 3.483 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000796358576 723634336 /nfs/dbraw/zinc/63/43/36/723634336.db2.gz OHDQRPAVPGBBCT-ZIAGYGMSSA-N 2 1 368.547 3.130 20 0 FGADMP ClC1(Cl)C[C@@H]1C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000796381649 723635513 /nfs/dbraw/zinc/63/55/13/723635513.db2.gz FPTTUGPJCDLMNU-MSOLQXFVSA-N 2 1 368.352 3.072 20 0 FGADMP ClC1(Cl)C[C@@H]1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000796381649 723635514 /nfs/dbraw/zinc/63/55/14/723635514.db2.gz FPTTUGPJCDLMNU-MSOLQXFVSA-N 2 1 368.352 3.072 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000774862169 723936058 /nfs/dbraw/zinc/93/60/58/723936058.db2.gz JIKTXQYHDGDOEH-SFHVURJKSA-N 2 1 353.551 3.345 20 0 FGADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000774862169 723936059 /nfs/dbraw/zinc/93/60/59/723936059.db2.gz JIKTXQYHDGDOEH-SFHVURJKSA-N 2 1 353.551 3.345 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792531 725095968 /nfs/dbraw/zinc/09/59/68/725095968.db2.gz FVMDILQPHDOYRO-FQEVSTJZSA-N 2 1 353.551 3.441 20 0 FGADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805792531 725095970 /nfs/dbraw/zinc/09/59/70/725095970.db2.gz FVMDILQPHDOYRO-FQEVSTJZSA-N 2 1 353.551 3.441 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000809574027 725248813 /nfs/dbraw/zinc/24/88/13/725248813.db2.gz DCHVVVGRKZDPKP-GOSISDBHSA-N 2 1 358.555 3.159 20 0 FGADMP CN(Cc1ncc(C[NH+](C)C)s1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000809574027 725248814 /nfs/dbraw/zinc/24/88/14/725248814.db2.gz DCHVVVGRKZDPKP-GOSISDBHSA-N 2 1 358.555 3.159 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000809604385 725251452 /nfs/dbraw/zinc/25/14/52/725251452.db2.gz SVKPFJNBDHXUOT-OAHLLOKOSA-N 2 1 352.523 3.453 20 0 FGADMP Fc1cc(F)cc(C2CC([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000809618649 725252700 /nfs/dbraw/zinc/25/27/00/725252700.db2.gz LDWMJOBUUOKSIT-OAAAQFAESA-N 2 1 350.453 3.444 20 0 FGADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000810533337 725313015 /nfs/dbraw/zinc/31/30/15/725313015.db2.gz LYMPTUVJYLWRFN-IRXDYDNUSA-N 2 1 351.560 3.149 20 0 FGADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1F ZINC000818963631 727331428 /nfs/dbraw/zinc/33/14/28/727331428.db2.gz WCMZNTZOPAACSL-ZQIUZPCESA-N 2 1 371.294 3.012 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819101200 727347690 /nfs/dbraw/zinc/34/76/90/727347690.db2.gz PGFBVIVPXXSABH-INIZCTEOSA-N 2 1 370.266 3.197 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820867026 729038773 /nfs/dbraw/zinc/03/87/73/729038773.db2.gz GTQVOIGFHVARMG-ILXRZTDVSA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820867026 729038776 /nfs/dbraw/zinc/03/87/76/729038776.db2.gz GTQVOIGFHVARMG-ILXRZTDVSA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867026 729038780 /nfs/dbraw/zinc/03/87/80/729038780.db2.gz GTQVOIGFHVARMG-ILXRZTDVSA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867026 729038782 /nfs/dbraw/zinc/03/87/82/729038782.db2.gz GTQVOIGFHVARMG-ILXRZTDVSA-N 2 1 361.477 3.046 20 0 FGADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1F ZINC000824136534 729320951 /nfs/dbraw/zinc/32/09/51/729320951.db2.gz WTMHHLOAWIAJOK-QGZVFWFLSA-N 2 1 363.864 3.121 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccnc(Cl)c1F ZINC000824136534 729320953 /nfs/dbraw/zinc/32/09/53/729320953.db2.gz WTMHHLOAWIAJOK-QGZVFWFLSA-N 2 1 363.864 3.121 20 0 FGADMP CN(C(=O)/C(F)=C/C1CCCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000826948123 729419746 /nfs/dbraw/zinc/41/97/46/729419746.db2.gz ZSXAXIDRMKRFHL-GXYBQNOFSA-N 2 1 351.510 3.047 20 0 FGADMP CN(C(=O)/C(F)=C/C1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000826948123 729419749 /nfs/dbraw/zinc/41/97/49/729419749.db2.gz ZSXAXIDRMKRFHL-GXYBQNOFSA-N 2 1 351.510 3.047 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCCC[N@H+](C)C2CCCCC2)cc(Cl)n1 ZINC000831822820 729670261 /nfs/dbraw/zinc/67/02/61/729670261.db2.gz OYXVWGAHPMPXHS-QGZVFWFLSA-N 2 1 366.937 3.204 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566842 729815004 /nfs/dbraw/zinc/81/50/04/729815004.db2.gz TZSOQRRCVJNVTH-INMHGKMJSA-N 2 1 350.507 3.205 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808731 730177401 /nfs/dbraw/zinc/17/74/01/730177401.db2.gz OPEDWRSWZMFJEZ-UONOGXRCSA-N 2 1 360.470 3.065 20 0 FGADMP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843126278 730588964 /nfs/dbraw/zinc/58/89/64/730588964.db2.gz HOCWDZNGZUMZCW-HDICACEKSA-N 2 1 358.917 3.325 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000843353351 730609946 /nfs/dbraw/zinc/60/99/46/730609946.db2.gz YHWNGMGPYZOPSO-UHFFFAOYSA-N 2 1 363.811 3.499 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363435 730611148 /nfs/dbraw/zinc/61/11/48/730611148.db2.gz GQTGVOMTHXFFDK-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363435 730611151 /nfs/dbraw/zinc/61/11/51/730611151.db2.gz GQTGVOMTHXFFDK-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2ccccc2s1 ZINC000848533122 731176889 /nfs/dbraw/zinc/17/68/89/731176889.db2.gz OEHLUNZXWKESHR-ZWKOTPCHSA-N 2 1 360.523 3.168 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-c2csc(C)n2)s1 ZINC000849055856 731225044 /nfs/dbraw/zinc/22/50/44/731225044.db2.gz HIEMGAHXOIPYHS-ZDUSSCGKSA-N 2 1 363.556 3.278 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)C1 ZINC000850357640 731348136 /nfs/dbraw/zinc/34/81/36/731348136.db2.gz QJBAGPAXARHCPZ-FGTMMUONSA-N 2 1 356.432 3.464 20 0 FGADMP CO[C@@H]1CC[C@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539496 /nfs/dbraw/zinc/53/94/96/731539496.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 2 1 350.547 3.299 20 0 FGADMP CO[C@@H]1CC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539499 /nfs/dbraw/zinc/53/94/99/731539499.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 2 1 350.547 3.299 20 0 FGADMP CO[C@@H]1CC[C@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@H](OC)C4)C3)C2)C1 ZINC000852057320 731539501 /nfs/dbraw/zinc/53/95/01/731539501.db2.gz KZSGVPMTURJZGK-ALGQRKQJSA-N 2 1 350.547 3.299 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107750 731544321 /nfs/dbraw/zinc/54/43/21/731544321.db2.gz PVCWTWPKIDHXTE-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107750 731544324 /nfs/dbraw/zinc/54/43/24/731544324.db2.gz PVCWTWPKIDHXTE-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)C2 ZINC000852107750 731544327 /nfs/dbraw/zinc/54/43/27/731544327.db2.gz PVCWTWPKIDHXTE-PXNSSMCTSA-N 2 1 351.535 3.051 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853239149 731686104 /nfs/dbraw/zinc/68/61/04/731686104.db2.gz BHDBEGVTDJWYPK-BRWVUGGUSA-N 2 1 358.473 3.065 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858097328 732180261 /nfs/dbraw/zinc/18/02/61/732180261.db2.gz IVVNCHDUMZOXEL-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn(C)nc1Br ZINC000858097328 732180264 /nfs/dbraw/zinc/18/02/64/732180264.db2.gz IVVNCHDUMZOXEL-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000858492100 732220165 /nfs/dbraw/zinc/22/01/65/732220165.db2.gz SZKMREOUBPMTTN-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490992 732220265 /nfs/dbraw/zinc/22/02/65/732220265.db2.gz UTUVXMJTPJYWRN-UONOGXRCSA-N 2 1 360.470 3.065 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000858490992 732220266 /nfs/dbraw/zinc/22/02/66/732220266.db2.gz UTUVXMJTPJYWRN-UONOGXRCSA-N 2 1 360.470 3.065 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491473 732220286 /nfs/dbraw/zinc/22/02/86/732220286.db2.gz IRQHZLOKVRSARK-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+](C)Cc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(Cl)cc2)cc1 ZINC000859213305 732290799 /nfs/dbraw/zinc/29/07/99/732290799.db2.gz GGQKEVOGSKIOKD-LJQANCHMSA-N 2 1 362.901 3.273 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865600954 733235050 /nfs/dbraw/zinc/23/50/50/733235050.db2.gz WMKDRVYGLVGEKS-ZIAGYGMSSA-N 2 1 367.456 3.154 20 0 FGADMP CCOc1c(OC)cc(C[N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)cc1OC ZINC000873223458 735739639 /nfs/dbraw/zinc/73/96/39/735739639.db2.gz NSFXWAFWAMRFNH-HXUWFJFHSA-N 2 1 350.503 3.299 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000876560590 736113517 /nfs/dbraw/zinc/11/35/17/736113517.db2.gz HMFUIISASDAQJR-ZDUSSCGKSA-N 2 1 367.456 3.248 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC1 ZINC000876560590 736113519 /nfs/dbraw/zinc/11/35/19/736113519.db2.gz HMFUIISASDAQJR-ZDUSSCGKSA-N 2 1 367.456 3.248 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3[C@H](CCCN3C(=O)OC(C)(C)C)C2)CC1 ZINC000876897878 736160046 /nfs/dbraw/zinc/16/00/46/736160046.db2.gz HRVOADQXHSITEX-KBAYOESNSA-N 2 1 351.535 3.238 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000877190845 736197088 /nfs/dbraw/zinc/19/70/88/736197088.db2.gz BDTXIBYDWJDCEV-JIZVJVNCSA-N 2 1 368.458 3.066 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546555 736682186 /nfs/dbraw/zinc/68/21/86/736682186.db2.gz UAURXIULXZZHDJ-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546555 736682189 /nfs/dbraw/zinc/68/21/89/736682189.db2.gz UAURXIULXZZHDJ-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546555 736682193 /nfs/dbraw/zinc/68/21/93/736682193.db2.gz UAURXIULXZZHDJ-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C([C@@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000878050129 736763758 /nfs/dbraw/zinc/76/37/58/736763758.db2.gz QWGPZKVOKLEQGV-PMACEKPBSA-N 2 1 350.547 3.303 20 0 FGADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574141 737010003 /nfs/dbraw/zinc/01/00/03/737010003.db2.gz ADYPNOMSIWSEPK-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574141 737010005 /nfs/dbraw/zinc/01/00/05/737010005.db2.gz ADYPNOMSIWSEPK-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574141 737010008 /nfs/dbraw/zinc/01/00/08/737010008.db2.gz ADYPNOMSIWSEPK-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@H]21 ZINC000879574141 737010010 /nfs/dbraw/zinc/01/00/10/737010010.db2.gz ADYPNOMSIWSEPK-BBRMVZONSA-N 2 1 355.404 3.060 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000884176415 737640909 /nfs/dbraw/zinc/64/09/09/737640909.db2.gz FFIRBVORROCUJV-CZUORRHYSA-N 2 1 359.436 3.332 20 0 FGADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)C1 ZINC000886636086 739278055 /nfs/dbraw/zinc/27/80/55/739278055.db2.gz FWOAIFTYBMEPGV-XPDGTVHJSA-N 2 1 360.567 3.319 20 0 FGADMP OC[C@]1(C(F)(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000886813542 739305528 /nfs/dbraw/zinc/30/55/28/739305528.db2.gz ONKCTHKSNUFNAJ-SFHVURJKSA-N 2 1 356.432 3.419 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000891612016 739920764 /nfs/dbraw/zinc/92/07/64/739920764.db2.gz HNIWLGHTUJJJHE-UHFFFAOYSA-N 2 1 368.319 3.181 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000891934089 739952533 /nfs/dbraw/zinc/95/25/33/739952533.db2.gz QINABHDDGHDNMM-UHFFFAOYSA-N 2 1 368.319 3.181 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1C(F)(F)F ZINC000892491483 740006062 /nfs/dbraw/zinc/00/60/62/740006062.db2.gz ARWBIMAIHUFHQR-NUEKZKHPSA-N 2 1 362.436 3.113 20 0 FGADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902801390 743776865 /nfs/dbraw/zinc/77/68/65/743776865.db2.gz ADXBOBIPVYFKSC-JBACZVJFSA-N 2 1 350.547 3.205 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](C3CCOCC3)C2)CC1 ZINC000902832359 743778834 /nfs/dbraw/zinc/77/88/34/743778834.db2.gz UMKVLAAKFGFWSC-PZJWPPBQSA-N 2 1 352.563 3.451 20 0 FGADMP FC(F)(F)[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000903180623 743818554 /nfs/dbraw/zinc/81/85/54/743818554.db2.gz GJUGQMXDPDAEDS-ROUUACIJSA-N 2 1 356.432 3.393 20 0 FGADMP Cn1c(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)nnc1-c1ccc(Cl)cc1 ZINC000903791281 743884345 /nfs/dbraw/zinc/88/43/45/743884345.db2.gz QMVWMABYNTZSJQ-UHFFFAOYSA-N 2 1 361.921 3.332 20 0 FGADMP C[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1cccc(Cl)c1Cl ZINC000903921574 743897542 /nfs/dbraw/zinc/89/75/42/743897542.db2.gz PMWBILURYFNGMW-NEPJUHHUSA-N 2 1 354.285 3.360 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1OC(F)F ZINC000903954305 743904829 /nfs/dbraw/zinc/90/48/29/743904829.db2.gz CVZCZKJBJZXNCP-GFCCVEGCSA-N 2 1 350.356 3.021 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000904639713 743965741 /nfs/dbraw/zinc/96/57/41/743965741.db2.gz LBVXBLLQJGTLSD-ZWKOTPCHSA-N 2 1 358.873 3.366 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000904639713 743965742 /nfs/dbraw/zinc/96/57/42/743965742.db2.gz LBVXBLLQJGTLSD-ZWKOTPCHSA-N 2 1 358.873 3.366 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(F)(F)F)cc1)C2 ZINC000922386565 758909326 /nfs/dbraw/zinc/90/93/26/758909326.db2.gz ICYHLNQZDXQZAG-ZJPYXAASSA-N 2 1 356.432 3.275 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C3CCCC3)s1)C2 ZINC000922388220 758910588 /nfs/dbraw/zinc/91/05/88/758910588.db2.gz NOGKSPHJYYJBDP-FTEYMNFISA-N 2 1 363.571 3.370 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(C(C)(C)C)s3)C2)[C@H]1C(C)C ZINC000922391710 758911766 /nfs/dbraw/zinc/91/17/66/758911766.db2.gz GKSNOFGDSQRPMC-VIPLHTEESA-N 2 1 365.587 3.400 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3cc(Cl)cnc3o1)C2 ZINC000922391542 758911789 /nfs/dbraw/zinc/91/17/89/758911789.db2.gz WMVHFCCXJYGNJQ-VXIBKDFQSA-N 2 1 363.889 3.051 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923497246 759132383 /nfs/dbraw/zinc/13/23/83/759132383.db2.gz DETITEZPSHENHT-HUUCEWRRSA-N 2 1 361.511 3.147 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923497246 759132385 /nfs/dbraw/zinc/13/23/85/759132385.db2.gz DETITEZPSHENHT-HUUCEWRRSA-N 2 1 361.511 3.147 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)C1 ZINC000924707374 759374404 /nfs/dbraw/zinc/37/44/04/759374404.db2.gz UGILYNMYUSJIBK-INIZCTEOSA-N 2 1 351.535 3.098 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCC[C@H]3CCCO)CCCC2)CC1 ZINC000925001229 759430331 /nfs/dbraw/zinc/43/03/31/759430331.db2.gz WTLHWXUVOUBUOX-ICSRJNTNSA-N 2 1 352.563 3.331 20 0 FGADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCc4c3nccc4Cl)C2)nc(C)[nH+]1 ZINC000925827703 759552813 /nfs/dbraw/zinc/55/28/13/759552813.db2.gz ANIHYLOORQEGAC-YOEHRIQHSA-N 2 1 357.889 3.388 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000926205931 759676548 /nfs/dbraw/zinc/67/65/48/759676548.db2.gz DQJYWPZAZLBOSF-HUUCEWRRSA-N 2 1 350.507 3.024 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000927124888 759899496 /nfs/dbraw/zinc/89/94/96/759899496.db2.gz RFGYISHGIVZNQC-FPSMNIFISA-N 2 1 351.535 3.142 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000930001830 760509650 /nfs/dbraw/zinc/50/96/50/760509650.db2.gz WZFWANIRMFOQSF-MHORFTMASA-N 2 1 353.551 3.342 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH+](Cc3csc(C)c3)CC2(C)C)CC[N@H+]1C ZINC000974598894 763034156 /nfs/dbraw/zinc/03/41/56/763034156.db2.gz KPRUEYHJOJHMFX-RCCFBDPRSA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@H+](Cc3csc(C)c3)CC2(C)C)CC[NH+]1C ZINC000974598894 763034171 /nfs/dbraw/zinc/03/41/71/763034171.db2.gz KPRUEYHJOJHMFX-RCCFBDPRSA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[N@@H+](Cc3csc(C)c3)CC2(C)C)CC[NH+]1C ZINC000974598894 763034189 /nfs/dbraw/zinc/03/41/89/763034189.db2.gz KPRUEYHJOJHMFX-RCCFBDPRSA-N 2 1 363.571 3.113 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000983714707 763663703 /nfs/dbraw/zinc/66/37/03/763663703.db2.gz VXQHJUNRTKITCP-DSLXNQLJSA-N 2 1 363.933 3.055 20 0 FGADMP Cc1cc(Cl)ccc1CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375482 765590163 /nfs/dbraw/zinc/59/01/63/765590163.db2.gz DKULLWSFFVYUII-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001007375482 765590171 /nfs/dbraw/zinc/59/01/71/765590171.db2.gz DKULLWSFFVYUII-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001007375482 765590179 /nfs/dbraw/zinc/59/01/79/765590179.db2.gz DKULLWSFFVYUII-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375482 765590188 /nfs/dbraw/zinc/59/01/88/765590188.db2.gz DKULLWSFFVYUII-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001007375482 765590194 /nfs/dbraw/zinc/59/01/94/765590194.db2.gz DKULLWSFFVYUII-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001022107416 765974010 /nfs/dbraw/zinc/97/40/10/765974010.db2.gz XCCSCBIWSWCQSJ-NUBKLNGGSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC001033098323 766207018 /nfs/dbraw/zinc/20/70/18/766207018.db2.gz FOZAWOLSGXOXDE-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001033098323 766207020 /nfs/dbraw/zinc/20/70/20/766207020.db2.gz FOZAWOLSGXOXDE-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001033098323 766207027 /nfs/dbraw/zinc/20/70/27/766207027.db2.gz FOZAWOLSGXOXDE-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001033098323 766207031 /nfs/dbraw/zinc/20/70/31/766207031.db2.gz FOZAWOLSGXOXDE-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC2(C)CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001045442978 766536865 /nfs/dbraw/zinc/53/68/65/766536865.db2.gz BQNFYAZMHCZJIX-CRAIPNDOSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC001052393793 766900085 /nfs/dbraw/zinc/90/00/85/766900085.db2.gz QXPQHRDPRCIWFK-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3sccc3Cl)CC2)CC[NH+]1C ZINC001052393793 766900088 /nfs/dbraw/zinc/90/00/88/766900088.db2.gz QXPQHRDPRCIWFK-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3sccc3Cl)CC2)CC[NH+]1C ZINC001052393793 766900093 /nfs/dbraw/zinc/90/00/93/766900093.db2.gz QXPQHRDPRCIWFK-QLFBSQMISA-N 2 1 369.962 3.212 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]CC2=Cc3cc(Br)ccc3OC2)C1 ZINC000102423207 257350373 /nfs/dbraw/zinc/35/03/73/257350373.db2.gz PYXXYJUVOCFPLU-CYBMUJFWSA-N 2 1 351.288 3.156 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573610040 505577596 /nfs/dbraw/zinc/57/75/96/505577596.db2.gz HJNRCUDGLQNGBX-FGTMMUONSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000573610040 505577601 /nfs/dbraw/zinc/57/76/01/505577601.db2.gz HJNRCUDGLQNGBX-FGTMMUONSA-N 2 1 367.896 3.261 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000570909999 505609645 /nfs/dbraw/zinc/60/96/45/505609645.db2.gz VYSTUIKJRDTDFI-FOIQADDNSA-N 2 1 350.466 3.074 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H](c1ccccc1)C1CCCC1 ZINC000570964358 505621600 /nfs/dbraw/zinc/62/16/00/505621600.db2.gz PXHCGIRJKRVSFQ-FUPPJEDESA-N 2 1 369.553 3.356 20 0 FGADMP CC(C[NH+]1CC[C@H](c2ccncc2)C1)C[N@H+]1CC[C@H](c2ccncc2)C1 ZINC000568176983 505635639 /nfs/dbraw/zinc/63/56/39/505635639.db2.gz JZFMWUKVFAHFHF-VXKWHMMOSA-N 2 1 350.510 3.392 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccc(F)cc1 ZINC000579879373 505637671 /nfs/dbraw/zinc/63/76/71/505637671.db2.gz BVSFUTVWGULGFC-XLIONFOSSA-N 2 1 361.505 3.199 20 0 FGADMP CCN1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000573902649 505647792 /nfs/dbraw/zinc/64/77/92/505647792.db2.gz KJVFPBVMQZDQBC-UCLAIMLFSA-N 2 1 355.448 3.313 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C2CC2)cc1 ZINC000047973003 493768174 /nfs/dbraw/zinc/76/81/74/493768174.db2.gz GVSURRDWSHRPQG-HSZRJFAPSA-N 2 1 369.553 3.370 20 0 FGADMP C[C@H]1CCc2ccccc2N1C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047970761 493768252 /nfs/dbraw/zinc/76/82/52/493768252.db2.gz GGNMQGSLYRFTLR-SFHVURJKSA-N 2 1 355.526 3.162 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1c1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000068299277 493792593 /nfs/dbraw/zinc/79/25/93/493792593.db2.gz YNSDTWIDBPKPAL-LJQANCHMSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]1c1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000068299277 493792594 /nfs/dbraw/zinc/79/25/94/493792594.db2.gz YNSDTWIDBPKPAL-LJQANCHMSA-N 2 1 361.917 3.220 20 0 FGADMP OC1CC[NH+](Cc2ccc(CNc3[nH+]ccc4cc(F)ccc43)cc2)CC1 ZINC000568385500 505681654 /nfs/dbraw/zinc/68/16/54/505681654.db2.gz IJHXMJGNGNOGKC-UHFFFAOYSA-N 2 1 365.452 3.365 20 0 FGADMP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1 ZINC000057924441 493815340 /nfs/dbraw/zinc/81/53/40/493815340.db2.gz UXNBQKFCNSHDDQ-LJQANCHMSA-N 2 1 357.542 3.089 20 0 FGADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000081333740 493873603 /nfs/dbraw/zinc/87/36/03/493873603.db2.gz LTCLVLOXUPNNRT-RTWAWAEBSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000058848919 493888506 /nfs/dbraw/zinc/88/85/06/493888506.db2.gz QGJOQRUDIZBIJL-IIZPIQPGSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000058848919 493888508 /nfs/dbraw/zinc/88/85/08/493888508.db2.gz QGJOQRUDIZBIJL-IIZPIQPGSA-N 2 1 371.569 3.381 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058848919 493888513 /nfs/dbraw/zinc/88/85/13/493888513.db2.gz QGJOQRUDIZBIJL-IIZPIQPGSA-N 2 1 371.569 3.381 20 0 FGADMP COC(=O)c1oc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1C ZINC000574084883 505689634 /nfs/dbraw/zinc/68/96/34/505689634.db2.gz USCYTMBUYMFYJA-OALUTQOASA-N 2 1 368.477 3.329 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1COc2ccccc2O1 ZINC000568427423 505691860 /nfs/dbraw/zinc/69/18/60/505691860.db2.gz UUMVEMVBBVPROP-YZGWKJHDSA-N 2 1 352.478 3.327 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccccc1 ZINC000062359843 494010207 /nfs/dbraw/zinc/01/02/07/494010207.db2.gz OUADKLSWGAAGDO-RTWAWAEBSA-N 2 1 353.510 3.489 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N2CC[NH+](C3CCCC3)CC2)C1 ZINC000071935821 494110574 /nfs/dbraw/zinc/11/05/74/494110574.db2.gz RPSJKOKEQKSDLC-KDURUIRLSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccccc2C[NH+](CC)CC)C1 ZINC000054509974 494242208 /nfs/dbraw/zinc/24/22/08/494242208.db2.gz CFTLSDKGOYKJKY-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910828 494251581 /nfs/dbraw/zinc/25/15/81/494251581.db2.gz FRIHDQHHLZOAPD-INIZCTEOSA-N 2 1 352.567 3.107 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000088696101 494255911 /nfs/dbraw/zinc/25/59/11/494255911.db2.gz LBBHEXKDTLCOCY-FQEVSTJZSA-N 3 1 358.574 3.040 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CCC[N@H+](CC)C2)CC1 ZINC000088696101 494255914 /nfs/dbraw/zinc/25/59/14/494255914.db2.gz LBBHEXKDTLCOCY-FQEVSTJZSA-N 2 1 358.574 3.040 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000088696101 494255919 /nfs/dbraw/zinc/25/59/19/494255919.db2.gz LBBHEXKDTLCOCY-FQEVSTJZSA-N 2 1 358.574 3.040 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000072823372 494258473 /nfs/dbraw/zinc/25/84/73/494258473.db2.gz HLXJLKWTOOXRQD-LJQANCHMSA-N 2 1 356.514 3.163 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCc3nccn3C)cc2)C1 ZINC000072823372 494258478 /nfs/dbraw/zinc/25/84/78/494258478.db2.gz HLXJLKWTOOXRQD-LJQANCHMSA-N 2 1 356.514 3.163 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512030 505712787 /nfs/dbraw/zinc/71/27/87/505712787.db2.gz GQEZXLCFSPIYHY-HVOFVXBASA-N 2 1 370.324 3.230 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000568512030 505712789 /nfs/dbraw/zinc/71/27/89/505712789.db2.gz GQEZXLCFSPIYHY-HVOFVXBASA-N 2 1 370.324 3.230 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000073588410 494395224 /nfs/dbraw/zinc/39/52/24/494395224.db2.gz JORCWCWGDZRBOD-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000073677564 494412467 /nfs/dbraw/zinc/41/24/67/494412467.db2.gz FRELWFIUXXYMQO-KDURUIRLSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000073728674 494419758 /nfs/dbraw/zinc/41/97/58/494419758.db2.gz UGXYRXGSDIAICO-UHFFFAOYSA-N 2 1 360.527 3.239 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000079219083 494420689 /nfs/dbraw/zinc/42/06/89/494420689.db2.gz ONHDRFWKTIDHRF-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1cc2c(ncnc2NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)s1 ZINC000090096274 494441592 /nfs/dbraw/zinc/44/15/92/494441592.db2.gz SIRZIQZALPLUDI-UHFFFAOYSA-N 2 1 359.543 3.362 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895173 494444168 /nfs/dbraw/zinc/44/41/68/494444168.db2.gz BHHWOLNYRFUZNH-NRFANRHFSA-N 2 1 356.510 3.384 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)CC1 ZINC000073895173 494444173 /nfs/dbraw/zinc/44/41/73/494444173.db2.gz BHHWOLNYRFUZNH-NRFANRHFSA-N 2 1 356.510 3.384 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000045789881 494461835 /nfs/dbraw/zinc/46/18/35/494461835.db2.gz KGFXSZJSAXVCSU-SFHVURJKSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000045789881 494461837 /nfs/dbraw/zinc/46/18/37/494461837.db2.gz KGFXSZJSAXVCSU-SFHVURJKSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000045789881 494461844 /nfs/dbraw/zinc/46/18/44/494461844.db2.gz KGFXSZJSAXVCSU-SFHVURJKSA-N 2 1 360.546 3.200 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)CC1 ZINC000079599407 494490699 /nfs/dbraw/zinc/49/06/99/494490699.db2.gz NRNYLOACELFCIL-ROUUACIJSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000079599407 494490704 /nfs/dbraw/zinc/49/07/04/494490704.db2.gz NRNYLOACELFCIL-ROUUACIJSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000079599407 494490706 /nfs/dbraw/zinc/49/07/06/494490706.db2.gz NRNYLOACELFCIL-ROUUACIJSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000079610323 494492318 /nfs/dbraw/zinc/49/23/18/494492318.db2.gz VYEPLRMAIZAUMI-OALUTQOASA-N 2 1 366.594 3.116 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000090721078 494494834 /nfs/dbraw/zinc/49/48/34/494494834.db2.gz ONEXHLISACOFHC-YPMHNXCESA-N 2 1 357.292 3.039 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000090721078 494494836 /nfs/dbraw/zinc/49/48/36/494494836.db2.gz ONEXHLISACOFHC-YPMHNXCESA-N 2 1 357.292 3.039 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000074249771 494503820 /nfs/dbraw/zinc/50/38/20/494503820.db2.gz JAUKQDITUMSGPH-UHFFFAOYSA-N 2 1 374.554 3.487 20 0 FGADMP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074447014 494538136 /nfs/dbraw/zinc/53/81/36/494538136.db2.gz POWNMGMUNZSLGB-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000067483211 494549669 /nfs/dbraw/zinc/54/96/69/494549669.db2.gz ALLGREFAZPZOIH-HXUWFJFHSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@@H](CNc2nc(NC[C@@H]3CC[N@H+](CCC)C3)ncc2C)C1 ZINC000091457801 494604747 /nfs/dbraw/zinc/60/47/47/494604747.db2.gz DWNBXZCUAINQMH-OALUTQOASA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@@H](CNc2ncc(C)c(NC[C@@H]3CC[N@H+](CCC)C3)n2)C1 ZINC000091457801 494604754 /nfs/dbraw/zinc/60/47/54/494604754.db2.gz DWNBXZCUAINQMH-OALUTQOASA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@@H](CNc2ncc(C)c(NC[C@@H]3CC[N@@H+](CCC)C3)n2)C1 ZINC000091457801 494604758 /nfs/dbraw/zinc/60/47/58/494604758.db2.gz DWNBXZCUAINQMH-OALUTQOASA-N 2 1 374.577 3.073 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3cn(C)nc3-c3ccncc3)C2)CC1 ZINC000092587819 494680056 /nfs/dbraw/zinc/68/00/56/494680056.db2.gz HBCULJGNZILSNU-IBGZPJMESA-N 2 1 367.541 3.426 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3cn(C)nc3-c3ccncc3)C2)CC1 ZINC000092587819 494680058 /nfs/dbraw/zinc/68/00/58/494680058.db2.gz HBCULJGNZILSNU-IBGZPJMESA-N 2 1 367.541 3.426 20 0 FGADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000092821321 494762860 /nfs/dbraw/zinc/76/28/60/494762860.db2.gz MHVPGSGRJRPMAO-RTBURBONSA-N 2 1 372.557 3.124 20 0 FGADMP Cc1cccc(C2=CC[N@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000092822085 494764019 /nfs/dbraw/zinc/76/40/19/494764019.db2.gz DWJMESDLUXJPLX-UHFFFAOYSA-N 2 1 355.526 3.073 20 0 FGADMP Cc1cccc(C2=CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000092822085 494764023 /nfs/dbraw/zinc/76/40/23/494764023.db2.gz DWJMESDLUXJPLX-UHFFFAOYSA-N 2 1 355.526 3.073 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1nc(-c2ccco2)no1 ZINC000092821077 494764538 /nfs/dbraw/zinc/76/45/38/494764538.db2.gz SDDPDIGCNHIJNM-UHFFFAOYSA-N 2 1 367.453 3.463 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)CC1 ZINC000093141828 494834868 /nfs/dbraw/zinc/83/48/68/494834868.db2.gz YEKFZFOFUMZOEY-ONEGZZNKSA-N 2 1 373.516 3.105 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000109257602 494852387 /nfs/dbraw/zinc/85/23/87/494852387.db2.gz LIOZZZATNLMLTM-FQEVSTJZSA-N 2 1 355.482 3.259 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000109257602 494852392 /nfs/dbraw/zinc/85/23/92/494852392.db2.gz LIOZZZATNLMLTM-FQEVSTJZSA-N 2 1 355.482 3.259 20 0 FGADMP CC(C)C[C@@H]1COCC[N@H+]1Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093340197 494873607 /nfs/dbraw/zinc/87/36/07/494873607.db2.gz BNXRRTAWSZYWQH-OAQYLSRUSA-N 2 1 359.558 3.464 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000109482051 494881331 /nfs/dbraw/zinc/88/13/31/494881331.db2.gz LVTKGCNEBPZFJV-HDICACEKSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000109482051 494881336 /nfs/dbraw/zinc/88/13/36/494881336.db2.gz LVTKGCNEBPZFJV-HDICACEKSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000109482051 494881339 /nfs/dbraw/zinc/88/13/39/494881339.db2.gz LVTKGCNEBPZFJV-HDICACEKSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1nccs1 ZINC000093399276 494886052 /nfs/dbraw/zinc/88/60/52/494886052.db2.gz XAZOBVNERXNQRM-GOSISDBHSA-N 2 1 358.555 3.392 20 0 FGADMP COC(=O)[C@@H](C)Oc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564129 494901677 /nfs/dbraw/zinc/90/16/77/494901677.db2.gz MZBGOPYXJSJITL-MJGOQNOKSA-N 2 1 360.498 3.077 20 0 FGADMP COC(=O)[C@@H](C)Oc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000093564129 494901681 /nfs/dbraw/zinc/90/16/81/494901681.db2.gz MZBGOPYXJSJITL-MJGOQNOKSA-N 2 1 360.498 3.077 20 0 FGADMP Cc1ccc(OCCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000109754815 494914272 /nfs/dbraw/zinc/91/42/72/494914272.db2.gz AZBHDBAQEMIBLD-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1ccc(OCCC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000109754815 494914274 /nfs/dbraw/zinc/91/42/74/494914274.db2.gz AZBHDBAQEMIBLD-NRFANRHFSA-N 2 1 359.558 3.174 20 0 FGADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000127625161 494972585 /nfs/dbraw/zinc/97/25/85/494972585.db2.gz VCRIYAXXTDQKPO-HNNXBMFYSA-N 2 1 351.922 3.265 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000133621689 495037144 /nfs/dbraw/zinc/03/71/44/495037144.db2.gz FGMLTCPDDWMODS-HXUWFJFHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1Br ZINC000128288332 495073359 /nfs/dbraw/zinc/07/33/59/495073359.db2.gz RRZCLEUISNHNDP-HNNXBMFYSA-N 2 1 354.336 3.127 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000123127735 495084953 /nfs/dbraw/zinc/08/49/53/495084953.db2.gz VUANHENARUJXGY-RLFYNMQTSA-N 2 1 367.497 3.166 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000123127735 495084956 /nfs/dbraw/zinc/08/49/56/495084956.db2.gz VUANHENARUJXGY-RLFYNMQTSA-N 2 1 367.497 3.166 20 0 FGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128570005 495117652 /nfs/dbraw/zinc/11/76/52/495117652.db2.gz UORZRWZTXJEVKP-LJQANCHMSA-N 2 1 359.562 3.259 20 0 FGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128570005 495117657 /nfs/dbraw/zinc/11/76/57/495117657.db2.gz UORZRWZTXJEVKP-LJQANCHMSA-N 2 1 359.562 3.259 20 0 FGADMP CCC[N@@H+](CC[C@H]1CCCN1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128570005 495117666 /nfs/dbraw/zinc/11/76/66/495117666.db2.gz UORZRWZTXJEVKP-LJQANCHMSA-N 3 1 359.562 3.259 20 0 FGADMP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1OCC ZINC000128658129 495131016 /nfs/dbraw/zinc/13/10/16/495131016.db2.gz NCZPZGJEXOXYLK-SFHVURJKSA-N 2 1 363.546 3.162 20 0 FGADMP COCC[N@H+](C)CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000102422093 495136398 /nfs/dbraw/zinc/13/63/98/495136398.db2.gz IKCJMNFTXRGVFU-UHFFFAOYSA-N 2 1 359.297 3.327 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]CC1=Cc2cc(Cl)cc(Cl)c2OC1 ZINC000102422093 495136401 /nfs/dbraw/zinc/13/64/01/495136401.db2.gz IKCJMNFTXRGVFU-UHFFFAOYSA-N 2 1 359.297 3.327 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000128847176 495158473 /nfs/dbraw/zinc/15/84/73/495158473.db2.gz DKYKDDUGCWNDKI-LJQANCHMSA-N 2 1 364.578 3.301 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCC[NH+]2Cc2ccccc2)C1 ZINC000119617419 495203314 /nfs/dbraw/zinc/20/33/14/495203314.db2.gz HCBZXJPHRKZOSH-IRLDBZIGSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000119617419 495203316 /nfs/dbraw/zinc/20/33/16/495203316.db2.gz HCBZXJPHRKZOSH-IRLDBZIGSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000119617419 495203320 /nfs/dbraw/zinc/20/33/20/495203320.db2.gz HCBZXJPHRKZOSH-IRLDBZIGSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[NH+](C)Cc1ccccc1 ZINC000119782035 495240152 /nfs/dbraw/zinc/24/01/52/495240152.db2.gz YDNIJMUQNDPPPX-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[N@H+](C)Cc1ccccc1 ZINC000119782035 495240158 /nfs/dbraw/zinc/24/01/58/495240158.db2.gz YDNIJMUQNDPPPX-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[N@@H+](C)Cc1ccccc1 ZINC000119782035 495240161 /nfs/dbraw/zinc/24/01/61/495240161.db2.gz YDNIJMUQNDPPPX-HMXCVIKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCCn1ccnc1 ZINC000129474542 495250216 /nfs/dbraw/zinc/25/02/16/495250216.db2.gz XOAWOKFARQXTJK-UHFFFAOYSA-N 2 1 366.465 3.205 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CNC(=O)CCCn1ccnc1 ZINC000129474542 495250220 /nfs/dbraw/zinc/25/02/20/495250220.db2.gz XOAWOKFARQXTJK-UHFFFAOYSA-N 2 1 366.465 3.205 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(OC(F)F)cc1 ZINC000124507867 495298832 /nfs/dbraw/zinc/29/88/32/495298832.db2.gz MTTAVNYRFQFVBB-HNNXBMFYSA-N 2 1 355.473 3.212 20 0 FGADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000124522203 495301448 /nfs/dbraw/zinc/30/14/48/495301448.db2.gz UNFRMRBDVAUOFO-AWEZNQCLSA-N 2 1 373.463 3.351 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124718366 495332692 /nfs/dbraw/zinc/33/26/92/495332692.db2.gz HOFIBEICRORXTJ-IFMALSPDSA-N 2 1 371.569 3.367 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC3CC[NH+](C)CC3)cc2)C1 ZINC000105113321 495337993 /nfs/dbraw/zinc/33/79/93/495337993.db2.gz CMEHUFCPIDZTNU-GOSISDBHSA-N 2 1 372.557 3.060 20 0 FGADMP CCCC[C@@H]1CCC[C@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241430 495348243 /nfs/dbraw/zinc/34/82/43/495348243.db2.gz KGKVWDRVACTCOT-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000124889308 495360411 /nfs/dbraw/zinc/36/04/11/495360411.db2.gz WUPFBDZZCYYROH-FQEVSTJZSA-N 2 1 354.498 3.256 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000124889308 495360415 /nfs/dbraw/zinc/36/04/15/495360415.db2.gz WUPFBDZZCYYROH-FQEVSTJZSA-N 2 1 354.498 3.256 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](c3ccccc3)CC2)CC1 ZINC000114456384 495377137 /nfs/dbraw/zinc/37/71/37/495377137.db2.gz MFEJOLPFRPLWDK-FQEVSTJZSA-N 2 1 357.542 3.245 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000114475647 495380483 /nfs/dbraw/zinc/38/04/83/495380483.db2.gz POVWTEUFOOCSFI-QGZVFWFLSA-N 2 1 363.550 3.235 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2ccnn2C(C)C)CC1 ZINC000114475647 495380486 /nfs/dbraw/zinc/38/04/86/495380486.db2.gz POVWTEUFOOCSFI-QGZVFWFLSA-N 2 1 363.550 3.235 20 0 FGADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125063847 495384588 /nfs/dbraw/zinc/38/45/88/495384588.db2.gz ZDKINMSGRRFUFO-FQEVSTJZSA-N 2 1 373.541 3.406 20 0 FGADMP Cc1cc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c2cc(F)ccc2[nH+]1 ZINC000125146000 495397474 /nfs/dbraw/zinc/39/74/74/495397474.db2.gz NRNZIOHPLUXGNV-SFHVURJKSA-N 2 1 356.489 3.289 20 0 FGADMP COc1ccccc1[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000130489265 495400285 /nfs/dbraw/zinc/40/02/85/495400285.db2.gz XTIUCEDNBZHNTG-NRFANRHFSA-N 2 1 354.494 3.025 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000130615121 495420270 /nfs/dbraw/zinc/42/02/70/495420270.db2.gz IIPCZSCCHWPYHY-SFHVURJKSA-N 2 1 360.889 3.362 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000130615121 495420272 /nfs/dbraw/zinc/42/02/72/495420272.db2.gz IIPCZSCCHWPYHY-SFHVURJKSA-N 2 1 360.889 3.362 20 0 FGADMP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)CC2)cc1 ZINC000120674590 495431766 /nfs/dbraw/zinc/43/17/66/495431766.db2.gz NHDIJKSOXAQBRU-JBYIUTFZSA-N 2 1 359.558 3.226 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748704 495450147 /nfs/dbraw/zinc/45/01/47/495450147.db2.gz CHXXXSGKFCPTRA-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748704 495450151 /nfs/dbraw/zinc/45/01/51/495450151.db2.gz CHXXXSGKFCPTRA-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000137748704 495450155 /nfs/dbraw/zinc/45/01/55/495450155.db2.gz CHXXXSGKFCPTRA-AWEZNQCLSA-N 2 1 357.420 3.308 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000130852808 495456059 /nfs/dbraw/zinc/45/60/59/495456059.db2.gz KYNXRPAZAXPIHS-OAQYLSRUSA-N 2 1 374.573 3.128 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)cc1 ZINC000106522518 495461734 /nfs/dbraw/zinc/46/17/34/495461734.db2.gz QOAOHUJKFRTMAP-FQEVSTJZSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1ccc(C[NH+]2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000130903933 495464166 /nfs/dbraw/zinc/46/41/66/495464166.db2.gz YILPJQQMZUKHBL-UHFFFAOYSA-N 2 1 369.509 3.048 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000577747415 505784821 /nfs/dbraw/zinc/78/48/21/505784821.db2.gz HZWQNORAJMDOMN-CQSZACIVSA-N 2 1 373.447 3.379 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)c1 ZINC000141172364 495503418 /nfs/dbraw/zinc/50/34/18/495503418.db2.gz QOCNHXFTCWHAKQ-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000141172364 495503420 /nfs/dbraw/zinc/50/34/20/495503420.db2.gz QOCNHXFTCWHAKQ-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000141172364 495503423 /nfs/dbraw/zinc/50/34/23/495503423.db2.gz QOCNHXFTCWHAKQ-ZWKOTPCHSA-N 2 1 360.546 3.058 20 0 FGADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(-c3c(F)cccc3F)o2)CC1 ZINC000115612017 495521403 /nfs/dbraw/zinc/52/14/03/495521403.db2.gz FTCWPKKKEYSKAN-UHFFFAOYSA-N 2 1 363.452 3.342 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182372363 495537008 /nfs/dbraw/zinc/53/70/08/495537008.db2.gz RBAYACPENMSGED-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182372363 495537013 /nfs/dbraw/zinc/53/70/13/495537013.db2.gz RBAYACPENMSGED-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182372363 495537018 /nfs/dbraw/zinc/53/70/18/495537018.db2.gz RBAYACPENMSGED-GBESFXJTSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000182431669 495561673 /nfs/dbraw/zinc/56/16/73/495561673.db2.gz LBYPBSASACJWBA-HXUWFJFHSA-N 2 1 358.530 3.030 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000176304920 495589486 /nfs/dbraw/zinc/58/94/86/495589486.db2.gz NOXZZDLCAVCFOK-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000176304920 495589492 /nfs/dbraw/zinc/58/94/92/495589492.db2.gz NOXZZDLCAVCFOK-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000176304920 495589497 /nfs/dbraw/zinc/58/94/97/495589497.db2.gz NOXZZDLCAVCFOK-NRSPTQNISA-N 2 1 373.516 3.123 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185481668 495593982 /nfs/dbraw/zinc/59/39/82/495593982.db2.gz WERHQQSXTPTLBP-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1cccc(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1Cl ZINC000154399400 495604799 /nfs/dbraw/zinc/60/47/99/495604799.db2.gz XSCQRARRCWDTPT-SJPCQFCGSA-N 2 1 361.917 3.031 20 0 FGADMP C[C@@H](C(=O)NCC(F)(F)F)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158871165 495605757 /nfs/dbraw/zinc/60/57/57/495605757.db2.gz NOIBBHNIMBJWPQ-GJZGRUSLSA-N 2 1 363.468 3.030 20 0 FGADMP Cc1cc(NC(=O)CC[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)no1 ZINC000158936706 495619611 /nfs/dbraw/zinc/61/96/11/495619611.db2.gz SGPPYWNUZXUHOP-MRXNPFEDSA-N 2 1 362.518 3.288 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2OC(F)F)CC1 ZINC000154481509 495630764 /nfs/dbraw/zinc/63/07/64/495630764.db2.gz ZFZWFTPRCDJPIW-INIZCTEOSA-N 2 1 355.473 3.356 20 0 FGADMP C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182644568 495647296 /nfs/dbraw/zinc/64/72/96/495647296.db2.gz OTRNGAUXDYYQFW-SCTDSRPQSA-N 2 1 366.594 3.305 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247377 495692543 /nfs/dbraw/zinc/69/25/43/495692543.db2.gz YKUAJWRSYRZHDQ-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247377 495692548 /nfs/dbraw/zinc/69/25/48/495692548.db2.gz YKUAJWRSYRZHDQ-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)NC1CCCC1 ZINC000159247377 495692549 /nfs/dbraw/zinc/69/25/49/495692549.db2.gz YKUAJWRSYRZHDQ-UNMCSNQZSA-N 2 1 369.553 3.422 20 0 FGADMP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182761933 495693211 /nfs/dbraw/zinc/69/32/11/495693211.db2.gz YJCUSLRGFAITOT-TXQGORRRSA-N 2 1 364.578 3.059 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)N[C@@H]1CCCc2ccccc21 ZINC000173878347 495729337 /nfs/dbraw/zinc/72/93/37/495729337.db2.gz KOFRCUQFJCHOKQ-DENIHFKCSA-N 2 1 369.553 3.378 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182879070 495738772 /nfs/dbraw/zinc/73/87/72/495738772.db2.gz HHTBEBWYFKHURI-GBESFXJTSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182879070 495738776 /nfs/dbraw/zinc/73/87/76/495738776.db2.gz HHTBEBWYFKHURI-GBESFXJTSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182879070 495738781 /nfs/dbraw/zinc/73/87/81/495738781.db2.gz HHTBEBWYFKHURI-GBESFXJTSA-N 2 1 361.574 3.410 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741473 /nfs/dbraw/zinc/74/14/73/495741473.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741482 /nfs/dbraw/zinc/74/14/82/495741482.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906850 495741490 /nfs/dbraw/zinc/74/14/90/495741490.db2.gz DHOIHUBNFVZMMF-OALUTQOASA-N 2 1 365.521 3.429 20 0 FGADMP CC(C)CNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174154941 495840672 /nfs/dbraw/zinc/84/06/72/495840672.db2.gz CQLMXFJLXVYBCU-KRWDZBQOSA-N 2 1 357.498 3.162 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183147988 495855075 /nfs/dbraw/zinc/85/50/75/495855075.db2.gz XZVGXXMNMQEQLW-GSPCLOLRSA-N 3 1 373.585 3.234 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)N1CCSCC1 ZINC000151491108 495856843 /nfs/dbraw/zinc/85/68/43/495856843.db2.gz XJBMPBKEBYTDRU-IAGOWNOFSA-N 2 1 361.555 3.437 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000183187244 495872192 /nfs/dbraw/zinc/87/21/92/495872192.db2.gz DGKWFCDUAWADFE-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000183187244 495872195 /nfs/dbraw/zinc/87/21/95/495872195.db2.gz DGKWFCDUAWADFE-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000183187244 495872202 /nfs/dbraw/zinc/87/22/02/495872202.db2.gz DGKWFCDUAWADFE-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP OCCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180149963 495881235 /nfs/dbraw/zinc/88/12/35/495881235.db2.gz ODOBDSZLFMRUPY-FRIKZZABSA-N 2 1 366.505 3.343 20 0 FGADMP OCCOc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180149963 495881241 /nfs/dbraw/zinc/88/12/41/495881241.db2.gz ODOBDSZLFMRUPY-FRIKZZABSA-N 2 1 366.505 3.343 20 0 FGADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000155229613 495883160 /nfs/dbraw/zinc/88/31/60/495883160.db2.gz HEUYLGKFNPNHTD-RBUKOAKNSA-N 2 1 357.542 3.162 20 0 FGADMP CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000174282896 495893895 /nfs/dbraw/zinc/89/38/95/495893895.db2.gz ATTIUOLTMUJWLF-ICSRJNTNSA-N 2 1 373.541 3.406 20 0 FGADMP CC1(C)CC[N@@H+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000571773242 505812043 /nfs/dbraw/zinc/81/20/43/505812043.db2.gz BAHNPXAPXLHCNT-IHWFROFDSA-N 2 1 355.526 3.030 20 0 FGADMP CC1(C)CC[NH+](CC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000571773242 505812045 /nfs/dbraw/zinc/81/20/45/505812045.db2.gz BAHNPXAPXLHCNT-IHWFROFDSA-N 2 1 355.526 3.030 20 0 FGADMP CC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000155370944 495937426 /nfs/dbraw/zinc/93/74/26/495937426.db2.gz DKYCXPINIZYREW-NQIIRXRSSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000171656394 495975822 /nfs/dbraw/zinc/97/58/22/495975822.db2.gz SIVQQRYBZCUZRI-CYBMUJFWSA-N 2 1 372.340 3.444 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000186394661 495980147 /nfs/dbraw/zinc/98/01/47/495980147.db2.gz ARLKPQYFQYYXRZ-UHFFFAOYSA-N 2 1 362.514 3.311 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000186410997 495988744 /nfs/dbraw/zinc/98/87/44/495988744.db2.gz FVBWUUIGJXDNHO-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C(C)C ZINC000155575549 496001405 /nfs/dbraw/zinc/00/14/05/496001405.db2.gz ZMECNYZFTRHEID-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OCC)C23CCCC3)[C@H](C)C1 ZINC000151971589 496008788 /nfs/dbraw/zinc/00/87/88/496008788.db2.gz ARDJYAKCLWLVQE-WCIQWLHISA-N 2 1 352.563 3.451 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000174575918 496017596 /nfs/dbraw/zinc/01/75/96/496017596.db2.gz XMVMGEQDGSANPN-UHFFFAOYSA-N 2 1 369.513 3.067 20 0 FGADMP CCCOC[C@H](Cc1cccc(Br)c1)[NH2+]C1CC[NH+](C)CC1 ZINC000186504134 496023566 /nfs/dbraw/zinc/02/35/66/496023566.db2.gz GVWKUILLSDBWAA-SFHVURJKSA-N 2 1 369.347 3.471 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000155739166 496052671 /nfs/dbraw/zinc/05/26/71/496052671.db2.gz SMVJVRJEDVGAAX-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)[nH+]c1 ZINC000177430163 496059031 /nfs/dbraw/zinc/05/90/31/496059031.db2.gz UVFQGYZABBOTIZ-UHFFFAOYSA-N 2 1 370.541 3.130 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000174680593 496059770 /nfs/dbraw/zinc/05/97/70/496059770.db2.gz OJKLWBJMASDATL-MOPGFXCFSA-N 2 1 352.567 3.155 20 0 FGADMP Cc1cccc2nc(C[NH+]3CCC(CC[N@@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cn21 ZINC000177490044 496083439 /nfs/dbraw/zinc/08/34/39/496083439.db2.gz ODQADQSKUYNTQZ-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP Cc1cccc2nc(C[NH+]3CCC(CC[N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)cn21 ZINC000177490044 496083445 /nfs/dbraw/zinc/08/34/45/496083445.db2.gz ODQADQSKUYNTQZ-KDURUIRLSA-N 2 1 370.541 3.354 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000152366878 496129184 /nfs/dbraw/zinc/12/91/84/496129184.db2.gz BGZGBLQRLWQSSJ-OAHLLOKOSA-N 2 1 361.917 3.019 20 0 FGADMP O=C(NCc1cccc(Cn2ccnc2)c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177654531 496147538 /nfs/dbraw/zinc/14/75/38/496147538.db2.gz CQNASSXBJDYXMM-FQEVSTJZSA-N 2 1 366.509 3.202 20 0 FGADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C(=O)N(C)C)c2ccccc2)c1 ZINC000172082744 496157890 /nfs/dbraw/zinc/15/78/90/496157890.db2.gz LTEBUAGDVWXOLD-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP CCOc1ccc(C2(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)CCOCC2)cc1 ZINC000152457448 496158035 /nfs/dbraw/zinc/15/80/35/496158035.db2.gz AQLOFVHKKCQNFN-BBTUJRGHSA-N 2 1 360.542 3.452 20 0 FGADMP CC(C)N1CCC[C@@H]([NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)C1=O ZINC000177702947 496165178 /nfs/dbraw/zinc/16/51/78/496165178.db2.gz PBAUMZNWDLYMRI-OAQYLSRUSA-N 2 1 357.542 3.230 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000177724906 496173825 /nfs/dbraw/zinc/17/38/25/496173825.db2.gz JNLFGFWERRPGHH-GOSISDBHSA-N 2 1 370.541 3.130 20 0 FGADMP Cc1cccc(N2CCC(NC(=O)[C@@H]3CC[N@H+](C4CCCCC4)C3)CC2)[nH+]1 ZINC000177724906 496173828 /nfs/dbraw/zinc/17/38/28/496173828.db2.gz JNLFGFWERRPGHH-GOSISDBHSA-N 2 1 370.541 3.130 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174960048 496183233 /nfs/dbraw/zinc/18/32/33/496183233.db2.gz RDRDCKHSWVFWID-CQSZACIVSA-N 2 1 355.885 3.471 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174960048 496183234 /nfs/dbraw/zinc/18/32/34/496183234.db2.gz RDRDCKHSWVFWID-CQSZACIVSA-N 2 1 355.885 3.471 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174960048 496183238 /nfs/dbraw/zinc/18/32/38/496183238.db2.gz RDRDCKHSWVFWID-CQSZACIVSA-N 2 1 355.885 3.471 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[C@@H](C[N@H+](C)CC)C2)c1 ZINC000177850254 496221957 /nfs/dbraw/zinc/22/19/57/496221957.db2.gz WSUYYVOSIWVLQB-FQEVSTJZSA-N 2 1 360.546 3.012 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172420420 496290900 /nfs/dbraw/zinc/29/09/00/496290900.db2.gz UCHANOODIAVZBQ-UHFFFAOYSA-N 2 1 355.526 3.373 20 0 FGADMP [NH3+]CC1(CC(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000184221526 496291996 /nfs/dbraw/zinc/29/19/96/496291996.db2.gz BNHVCVLZQQSXEX-UHFFFAOYSA-N 2 1 361.505 3.159 20 0 FGADMP [NH3+]CC1(CC(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CCCCC1 ZINC000184221526 496292001 /nfs/dbraw/zinc/29/20/01/496292001.db2.gz BNHVCVLZQQSXEX-UHFFFAOYSA-N 2 1 361.505 3.159 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000178037830 496299057 /nfs/dbraw/zinc/29/90/57/496299057.db2.gz VOHQKRUNAVKFIL-OKZBNKHCSA-N 2 1 364.530 3.114 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000156734883 496322229 /nfs/dbraw/zinc/32/22/29/496322229.db2.gz KTYWJNGOBWTCBB-LJQANCHMSA-N 2 1 374.573 3.306 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1OC ZINC000162300979 496331070 /nfs/dbraw/zinc/33/10/70/496331070.db2.gz FRINTXNJNCELDJ-HNNXBMFYSA-N 2 1 370.497 3.430 20 0 FGADMP C[C@@H](CCNC(=O)NC1CC[NH+](CC2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175338218 496346685 /nfs/dbraw/zinc/34/66/85/496346685.db2.gz NYWWTTWYDFLBFX-SFHVURJKSA-N 2 1 372.557 3.071 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)C1 ZINC000156902643 496360224 /nfs/dbraw/zinc/36/02/24/496360224.db2.gz QWMXMSIPZKUMOS-UNMCSNQZSA-N 2 1 363.505 3.161 20 0 FGADMP Cc1nc(C)c(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)s1 ZINC000172787498 496432665 /nfs/dbraw/zinc/43/26/65/496432665.db2.gz QWKRFERHZGSBLG-UHFFFAOYSA-N 2 1 358.555 3.010 20 0 FGADMP Cc1nc(C)c(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)s1 ZINC000172787498 496432670 /nfs/dbraw/zinc/43/26/70/496432670.db2.gz QWKRFERHZGSBLG-UHFFFAOYSA-N 2 1 358.555 3.010 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172812239 496442931 /nfs/dbraw/zinc/44/29/31/496442931.db2.gz MKRKQMAQFQERHI-MRXNPFEDSA-N 2 1 357.498 3.489 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000175631462 496473819 /nfs/dbraw/zinc/47/38/19/496473819.db2.gz OOWSRDOBLLZGHY-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000175632545 496473973 /nfs/dbraw/zinc/47/39/73/496473973.db2.gz WLMYGMWRUGDVRR-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000175770443 496538184 /nfs/dbraw/zinc/53/81/84/496538184.db2.gz ORSMFPQYRCNKBT-UHFFFAOYSA-N 2 1 360.546 3.024 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000175787904 496546161 /nfs/dbraw/zinc/54/61/61/496546161.db2.gz KLUIKEBJNSNQCT-NRFANRHFSA-N 2 1 365.521 3.342 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000157929349 496589087 /nfs/dbraw/zinc/58/90/87/496589087.db2.gz VTGZSGKJIBKXQT-CVEARBPZSA-N 2 1 370.534 3.392 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000574784002 505854773 /nfs/dbraw/zinc/85/47/73/505854773.db2.gz JEXPZOFPTFCKIC-ZSYWTGECSA-N 2 1 372.557 3.043 20 0 FGADMP Cc1nc(C(C)(C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)sc1C ZINC000184987761 496612545 /nfs/dbraw/zinc/61/25/45/496612545.db2.gz SEJTTYUXGWCYSN-KRWDZBQOSA-N 2 1 374.554 3.004 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000153957283 496635619 /nfs/dbraw/zinc/63/56/19/496635619.db2.gz PAVKXWLUMUETKT-ROUUACIJSA-N 2 1 365.562 3.408 20 0 FGADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158212970 496651227 /nfs/dbraw/zinc/65/12/27/496651227.db2.gz WMMUVIZTZCMFTD-ICGSVKGVSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000158212970 496651230 /nfs/dbraw/zinc/65/12/30/496651230.db2.gz WMMUVIZTZCMFTD-ICGSVKGVSA-N 2 1 358.526 3.386 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC[NH+](C)C2CC2)C1 ZINC000185125447 496671700 /nfs/dbraw/zinc/67/17/00/496671700.db2.gz BJQWIYDZCPFICZ-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[N@H+](C)C2CC2)C1 ZINC000185125447 496671707 /nfs/dbraw/zinc/67/17/07/496671707.db2.gz BJQWIYDZCPFICZ-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)CC[N@@H+](C)C2CC2)C1 ZINC000185125447 496671710 /nfs/dbraw/zinc/67/17/10/496671710.db2.gz BJQWIYDZCPFICZ-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000173414062 496683067 /nfs/dbraw/zinc/68/30/67/496683067.db2.gz XWQOPLREEPZNLB-MISYRCLQSA-N 2 1 360.546 3.194 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000167543912 496701743 /nfs/dbraw/zinc/70/17/43/496701743.db2.gz WOCNUTYVFFAQDK-KOUHRCEDSA-N 2 1 357.542 3.182 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@@H]1c1ccccc1 ZINC000179186421 496704883 /nfs/dbraw/zinc/70/48/83/496704883.db2.gz GETFGFPMCCWDBW-RTWAWAEBSA-N 2 1 370.541 3.138 20 0 FGADMP CCN(Cc1cn(C(C)(C)C)nn1)CC1CCN(c2ccccn2)CC1 ZINC000191387087 496745111 /nfs/dbraw/zinc/74/51/11/496745111.db2.gz ZFLTUNGTCSVQKQ-UHFFFAOYSA-N 2 1 356.518 3.167 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268795893 496788799 /nfs/dbraw/zinc/78/87/99/496788799.db2.gz ZTRJCCAYYIUDKP-NQIIRXRSSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268795893 496788805 /nfs/dbraw/zinc/78/88/05/496788805.db2.gz ZTRJCCAYYIUDKP-NQIIRXRSSA-N 2 1 357.542 3.134 20 0 FGADMP COCCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000268800896 496789816 /nfs/dbraw/zinc/78/98/16/496789816.db2.gz ANBCPEGFHDGICX-KNQAVFIVSA-N 2 1 359.558 3.130 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1SC(F)F ZINC000268871158 496810420 /nfs/dbraw/zinc/81/04/20/496810420.db2.gz VIPGTDSVKASJOU-OCCSQVGLSA-N 2 1 360.470 3.117 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cnccn2)cc1OC ZINC000268874443 496811651 /nfs/dbraw/zinc/81/16/51/496811651.db2.gz PZAPUGIYVBUWKN-MRXNPFEDSA-N 2 1 358.486 3.057 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-n2cncn2)c1 ZINC000268940886 496829133 /nfs/dbraw/zinc/82/91/33/496829133.db2.gz SSDPYNHKWGCNDX-GCJKJVERSA-N 2 1 361.493 3.268 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(-n2cncn2)cc1 ZINC000195134432 496830222 /nfs/dbraw/zinc/83/02/22/496830222.db2.gz GDGJNBQPUYRTAG-ICSRJNTNSA-N 2 1 361.493 3.440 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000188586058 496842054 /nfs/dbraw/zinc/84/20/54/496842054.db2.gz UFPXVFUWWOMQRO-LJQANCHMSA-N 2 1 374.573 3.402 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401199 496852012 /nfs/dbraw/zinc/85/20/12/496852012.db2.gz XHRIIOYZKGPJEU-UWVAXJGDSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401199 496852015 /nfs/dbraw/zinc/85/20/15/496852015.db2.gz XHRIIOYZKGPJEU-UWVAXJGDSA-N 2 1 368.949 3.442 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247401199 496852019 /nfs/dbraw/zinc/85/20/19/496852019.db2.gz XHRIIOYZKGPJEU-UWVAXJGDSA-N 2 1 368.949 3.442 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C1 ZINC000578134854 505870482 /nfs/dbraw/zinc/87/04/82/505870482.db2.gz HPAPORODQRGCJY-YOEHRIQHSA-N 2 1 364.440 3.150 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)C1 ZINC000269256394 496906011 /nfs/dbraw/zinc/90/60/11/496906011.db2.gz JZVPIYQUXPMIAN-FQVATPOOSA-N 2 1 371.525 3.266 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CCCN(c4ccccc4Cl)C3=O)CC[C@H]21 ZINC000247942634 496930348 /nfs/dbraw/zinc/93/03/48/496930348.db2.gz DEFUGEGXJBENEV-SZVBFZGTSA-N 2 1 361.917 3.252 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000248058404 496949068 /nfs/dbraw/zinc/94/90/68/496949068.db2.gz ORJBFWMSXFFIND-PCCBWWKXSA-N 2 1 370.541 3.092 20 0 FGADMP COc1cc(OC)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000248152741 496963764 /nfs/dbraw/zinc/96/37/64/496963764.db2.gz QYLBDYLPSZWTGK-CABCVRRESA-N 2 1 370.921 3.245 20 0 FGADMP CN(C)C1(C[N@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000189004827 496976003 /nfs/dbraw/zinc/97/60/03/496976003.db2.gz HOFROGDZFJCHPK-UHFFFAOYSA-N 2 1 358.574 3.133 20 0 FGADMP CN(C)C1(C[N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCC1 ZINC000189004827 496976006 /nfs/dbraw/zinc/97/60/06/496976006.db2.gz HOFROGDZFJCHPK-UHFFFAOYSA-N 2 1 358.574 3.133 20 0 FGADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccc1 ZINC000216447769 496989487 /nfs/dbraw/zinc/98/94/87/496989487.db2.gz UCEPHGUMOHPZDI-OAQYLSRUSA-N 2 1 353.510 3.316 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248390679 496992123 /nfs/dbraw/zinc/99/21/23/496992123.db2.gz BPRQGRPNHCLXMJ-CZTZKLFOSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248390679 496992129 /nfs/dbraw/zinc/99/21/29/496992129.db2.gz BPRQGRPNHCLXMJ-CZTZKLFOSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248390679 496992133 /nfs/dbraw/zinc/99/21/33/496992133.db2.gz BPRQGRPNHCLXMJ-CZTZKLFOSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000248399417 496995522 /nfs/dbraw/zinc/99/55/22/496995522.db2.gz OTBPOLCSJFAONY-NGRWLJPCSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000248399417 496995527 /nfs/dbraw/zinc/99/55/27/496995527.db2.gz OTBPOLCSJFAONY-NGRWLJPCSA-N 2 1 357.542 3.135 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@H]3C2)cc1 ZINC000248409295 497001271 /nfs/dbraw/zinc/00/12/71/497001271.db2.gz WMLGQKNWNRYRHO-PMVMPFDFSA-N 2 1 372.553 3.462 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)CCC2 ZINC000248434336 497010275 /nfs/dbraw/zinc/01/02/75/497010275.db2.gz DUUCYDUOGRJBQX-QZTJIDSGSA-N 2 1 371.550 3.439 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccccc1N(C)C ZINC000248436016 497010759 /nfs/dbraw/zinc/01/07/59/497010759.db2.gz GBSTXZGQISLZAM-FXAWDEMLSA-N 2 1 353.510 3.170 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000248446452 497013994 /nfs/dbraw/zinc/01/39/94/497013994.db2.gz MYMAGBCBPVJQLT-XUVXKRRUSA-N 2 1 362.489 3.397 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000248554980 497038132 /nfs/dbraw/zinc/03/81/32/497038132.db2.gz HWUVNEYIOARJDN-IRFCIJBXSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000265064150 497040642 /nfs/dbraw/zinc/04/06/42/497040642.db2.gz NVRVHIKCYPUWBR-ICSRJNTNSA-N 2 1 357.542 3.475 20 0 FGADMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1F ZINC000278315011 497072336 /nfs/dbraw/zinc/07/23/36/497072336.db2.gz DLWIIRBDGDQYCM-RTBURBONSA-N 2 1 350.478 3.082 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1Cl ZINC000189409611 497110073 /nfs/dbraw/zinc/11/00/73/497110073.db2.gz ORCPVCVFGALMFU-CYBMUJFWSA-N 2 1 358.939 3.281 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000192443483 497116935 /nfs/dbraw/zinc/11/69/35/497116935.db2.gz VNWVSBRZJRFMIS-VLWBHCEFSA-N 2 1 350.528 3.452 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000192443483 497116938 /nfs/dbraw/zinc/11/69/38/497116938.db2.gz VNWVSBRZJRFMIS-VLWBHCEFSA-N 2 1 350.528 3.452 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C[C@H]1n1ccnc1 ZINC000249251460 497183704 /nfs/dbraw/zinc/18/37/04/497183704.db2.gz CCHUBSWLCBIPPE-OXQOHEQNSA-N 2 1 353.445 3.350 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000278701717 497194415 /nfs/dbraw/zinc/19/44/15/497194415.db2.gz LBTLIRQDILQGAK-ACDBMABISA-N 2 1 355.526 3.078 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)c1csc(CN)n1)C1CCCCC1 ZINC000237153186 497198073 /nfs/dbraw/zinc/19/80/73/497198073.db2.gz VKMTXFIADUKVBO-UHFFFAOYSA-N 2 1 372.538 3.296 20 0 FGADMP C[N@H+](Cc1ccccc1CNC(=O)c1csc(C[NH3+])n1)C1CCCCC1 ZINC000237153186 497198080 /nfs/dbraw/zinc/19/80/80/497198080.db2.gz VKMTXFIADUKVBO-UHFFFAOYSA-N 2 1 372.538 3.296 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)c1csc(C[NH3+])n1)C1CCCCC1 ZINC000237153186 497198087 /nfs/dbraw/zinc/19/80/87/497198087.db2.gz VKMTXFIADUKVBO-UHFFFAOYSA-N 2 1 372.538 3.296 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000274935152 497201865 /nfs/dbraw/zinc/20/18/65/497201865.db2.gz MHIZWYYOKQEPLJ-UHFFFAOYSA-N 2 1 354.498 3.000 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000278750261 497208179 /nfs/dbraw/zinc/20/81/79/497208179.db2.gz NWZLFZWNMIUQSH-ARZFCEMVSA-N 2 1 355.526 3.219 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000578228049 505892688 /nfs/dbraw/zinc/89/26/88/505892688.db2.gz GISBANHJXOPRQW-VSKRKVRLSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)cc1 ZINC000578228049 505892692 /nfs/dbraw/zinc/89/26/92/505892692.db2.gz GISBANHJXOPRQW-VSKRKVRLSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000578228049 505892696 /nfs/dbraw/zinc/89/26/96/505892696.db2.gz GISBANHJXOPRQW-VSKRKVRLSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000578228049 505892698 /nfs/dbraw/zinc/89/26/98/505892698.db2.gz GISBANHJXOPRQW-VSKRKVRLSA-N 2 1 359.558 3.370 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237496362 497247029 /nfs/dbraw/zinc/24/70/29/497247029.db2.gz AMIZDJJPYRJJOY-IBGZPJMESA-N 2 1 357.542 3.079 20 0 FGADMP C[C@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000237596112 497261585 /nfs/dbraw/zinc/26/15/85/497261585.db2.gz NOMLEAVQFRNQKY-FDKRGKGCSA-N 2 1 369.553 3.324 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000250431949 497266338 /nfs/dbraw/zinc/26/63/38/497266338.db2.gz JLXUFHILYOPMET-TZIWHRDSSA-N 2 1 372.557 3.163 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271166019 497278311 /nfs/dbraw/zinc/27/83/11/497278311.db2.gz CHEMINDTEAQEKD-SFHVURJKSA-N 2 1 368.481 3.256 20 0 FGADMP c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000271166019 497278312 /nfs/dbraw/zinc/27/83/12/497278312.db2.gz CHEMINDTEAQEKD-SFHVURJKSA-N 2 1 368.481 3.256 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000278993588 497294650 /nfs/dbraw/zinc/29/46/50/497294650.db2.gz QIUDNHCEGAYQBM-OLZOCXBDSA-N 2 1 351.397 3.406 20 0 FGADMP Cc1ccc(COc2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)cc1 ZINC000237817434 497296794 /nfs/dbraw/zinc/29/67/94/497296794.db2.gz QNJJVSFCQXYDEB-NRFANRHFSA-N 2 1 354.494 3.120 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000252480954 497302346 /nfs/dbraw/zinc/30/23/46/497302346.db2.gz HHSUVVLCBFRJKE-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000252480954 497302354 /nfs/dbraw/zinc/30/23/54/497302354.db2.gz HHSUVVLCBFRJKE-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000252480954 497302360 /nfs/dbraw/zinc/30/23/60/497302360.db2.gz HHSUVVLCBFRJKE-FGZHOGPDSA-N 2 1 368.521 3.189 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237894621 497309093 /nfs/dbraw/zinc/30/90/93/497309093.db2.gz RMQOVOUDRSXPIR-QXAKKESOSA-N 2 1 363.571 3.374 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]CCCc2ccc3c(c2)CCO3)c1 ZINC000193266066 497337395 /nfs/dbraw/zinc/33/73/95/497337395.db2.gz CNJZVDOZLLPNRK-UHFFFAOYSA-N 2 1 366.505 3.176 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000193314054 497346741 /nfs/dbraw/zinc/34/67/41/497346741.db2.gz PEEYPURRMVDPIC-GFCCVEGCSA-N 2 1 358.313 3.201 20 0 FGADMP CC(C)Cn1cc(C[NH+]2CCC3(C[C@@H]3[N@H+](C)Cc3nccs3)CC2)cn1 ZINC000275508373 497348406 /nfs/dbraw/zinc/34/84/06/497348406.db2.gz CIVXMRJSSBVUGI-SFHVURJKSA-N 2 1 373.570 3.482 20 0 FGADMP CC(C)Cn1cc(C[NH+]2CCC3(C[C@@H]3[N@@H+](C)Cc3nccs3)CC2)cn1 ZINC000275508373 497348408 /nfs/dbraw/zinc/34/84/08/497348408.db2.gz CIVXMRJSSBVUGI-SFHVURJKSA-N 2 1 373.570 3.482 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271536763 497376269 /nfs/dbraw/zinc/37/62/69/497376269.db2.gz SVBWZKBYNBISFO-AZUAARDMSA-N 2 1 369.509 3.351 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000271536763 497376272 /nfs/dbraw/zinc/37/62/72/497376272.db2.gz SVBWZKBYNBISFO-AZUAARDMSA-N 2 1 369.509 3.351 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC000279240178 497378354 /nfs/dbraw/zinc/37/83/54/497378354.db2.gz RNJOYLRBDIQWOU-RDJZCZTQSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@H]1c2ccsc2CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000255954244 497380388 /nfs/dbraw/zinc/38/03/88/497380388.db2.gz BNRIKCXMOUTYHV-RBUKOAKNSA-N 2 1 371.550 3.476 20 0 FGADMP CC[C@H]1c2ccsc2CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000255954244 497380393 /nfs/dbraw/zinc/38/03/93/497380393.db2.gz BNRIKCXMOUTYHV-RBUKOAKNSA-N 2 1 371.550 3.476 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000255958574 497381578 /nfs/dbraw/zinc/38/15/78/497381578.db2.gz GXRXXRZOSGAOMF-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000245419260 497395221 /nfs/dbraw/zinc/39/52/21/497395221.db2.gz LNOSDIMEONXBTI-LSTHTHJFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000245419260 497395229 /nfs/dbraw/zinc/39/52/29/497395229.db2.gz LNOSDIMEONXBTI-LSTHTHJFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000245419260 497395238 /nfs/dbraw/zinc/39/52/38/497395238.db2.gz LNOSDIMEONXBTI-LSTHTHJFSA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000245419260 497395243 /nfs/dbraw/zinc/39/52/43/497395243.db2.gz LNOSDIMEONXBTI-LSTHTHJFSA-N 2 1 361.505 3.121 20 0 FGADMP Cc1cc(C)c(CCNC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)c1 ZINC000261396339 497409633 /nfs/dbraw/zinc/40/96/33/497409633.db2.gz XUNJITVTRLIQRT-UHFFFAOYSA-N 2 1 371.569 3.078 20 0 FGADMP COc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc2c1OCO2 ZINC000279355668 497416724 /nfs/dbraw/zinc/41/67/24/497416724.db2.gz GPMHKNDIEBJUGG-UHFFFAOYSA-N 2 1 369.465 3.336 20 0 FGADMP CCc1nn(C)c(CC)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279361990 497418631 /nfs/dbraw/zinc/41/86/31/497418631.db2.gz HCYHTDSUAHZSIP-UHFFFAOYSA-N 2 1 355.530 3.457 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCc3nc[nH]c32)CCC1 ZINC000569321452 505907112 /nfs/dbraw/zinc/90/71/12/505907112.db2.gz ULUKEAZQRHQQBY-QGZVFWFLSA-N 2 1 352.482 3.001 20 0 FGADMP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCc3[nH]cnc32)CCC1 ZINC000569321452 505907116 /nfs/dbraw/zinc/90/71/16/505907116.db2.gz ULUKEAZQRHQQBY-QGZVFWFLSA-N 2 1 352.482 3.001 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCCc3[nH]cnc32)CCC1 ZINC000569321452 505907119 /nfs/dbraw/zinc/90/71/19/505907119.db2.gz ULUKEAZQRHQQBY-QGZVFWFLSA-N 2 1 352.482 3.001 20 0 FGADMP Brc1cccc(N[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)c1 ZINC000261803618 497454491 /nfs/dbraw/zinc/45/44/91/497454491.db2.gz HDRFFDRICADAHM-QGZVFWFLSA-N 2 1 352.320 3.325 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000261835914 497459485 /nfs/dbraw/zinc/45/94/85/497459485.db2.gz OPNIJRJILMOFAW-FXAWDEMLSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000572181066 505908664 /nfs/dbraw/zinc/90/86/64/505908664.db2.gz KMHNXCYJFMBKAF-NXHRZFHOSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(CC(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000572181066 505908665 /nfs/dbraw/zinc/90/86/65/505908665.db2.gz KMHNXCYJFMBKAF-NXHRZFHOSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000245590761 497467995 /nfs/dbraw/zinc/46/79/95/497467995.db2.gz AZOCWJCGELSYHQ-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000245590761 497467998 /nfs/dbraw/zinc/46/79/98/497467998.db2.gz AZOCWJCGELSYHQ-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000245590761 497468003 /nfs/dbraw/zinc/46/80/03/497468003.db2.gz AZOCWJCGELSYHQ-QZTJIDSGSA-N 2 1 352.567 3.013 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261898628 497471211 /nfs/dbraw/zinc/47/12/11/497471211.db2.gz UUARMJHQXVMJPO-VQIMIIECSA-N 2 1 363.933 3.200 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC000261896484 497471352 /nfs/dbraw/zinc/47/13/52/497471352.db2.gz WAUHOHJTQXLOCT-UXHICEINSA-N 2 1 357.523 3.015 20 0 FGADMP O=C(Nc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1)C1CCCC1 ZINC000575038307 505909149 /nfs/dbraw/zinc/90/91/49/505909149.db2.gz PIXGSRLKGUKCKE-PWRODBHTSA-N 2 1 371.525 3.062 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H]1c1ccccc1 ZINC000245624614 497479428 /nfs/dbraw/zinc/47/94/28/497479428.db2.gz GETFGFPMCCWDBW-NHCUHLMSSA-N 2 1 370.541 3.138 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1OC ZINC000261970446 497484620 /nfs/dbraw/zinc/48/46/20/497484620.db2.gz NDJSKRJBZNKBHO-IBGZPJMESA-N 2 1 361.530 3.070 20 0 FGADMP C[C@H](C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl)[C@@H]([NH3+])c1ccccc1 ZINC000262004194 497490890 /nfs/dbraw/zinc/49/08/90/497490890.db2.gz QDOOMHQRJHEUNV-GDIGMMSISA-N 2 1 357.885 3.149 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000578312769 505912132 /nfs/dbraw/zinc/91/21/32/505912132.db2.gz NVJKUVXSWGPPHP-BUKVSMQUSA-N 2 1 368.525 3.116 20 0 FGADMP Ic1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1 ZINC000262289957 497535543 /nfs/dbraw/zinc/53/55/43/497535543.db2.gz VXECSVOCUMKZGZ-MRXNPFEDSA-N 2 1 370.278 3.428 20 0 FGADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000279779792 497538593 /nfs/dbraw/zinc/53/85/93/497538593.db2.gz UHGBCYPCDSJJNV-QHCPKHFHSA-N 2 1 367.537 3.485 20 0 FGADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000279779792 497538599 /nfs/dbraw/zinc/53/85/99/497538599.db2.gz UHGBCYPCDSJJNV-QHCPKHFHSA-N 2 1 367.537 3.485 20 0 FGADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000279779792 497538603 /nfs/dbraw/zinc/53/86/03/497538603.db2.gz UHGBCYPCDSJJNV-QHCPKHFHSA-N 2 1 367.537 3.485 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000279779792 497538609 /nfs/dbraw/zinc/53/86/09/497538609.db2.gz UHGBCYPCDSJJNV-QHCPKHFHSA-N 2 1 367.537 3.485 20 0 FGADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000279779792 497538613 /nfs/dbraw/zinc/53/86/13/497538613.db2.gz UHGBCYPCDSJJNV-QHCPKHFHSA-N 2 1 367.537 3.485 20 0 FGADMP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307505 497540612 /nfs/dbraw/zinc/54/06/12/497540612.db2.gz YCHANNRWTKALRP-HOCLYGCPSA-N 2 1 362.411 3.404 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000245955318 497583330 /nfs/dbraw/zinc/58/33/30/497583330.db2.gz COVUWXMTGMWURE-KBXCAEBGSA-N 2 1 367.331 3.263 20 0 FGADMP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262675696 497596901 /nfs/dbraw/zinc/59/69/01/497596901.db2.gz UEGFUGIRHZZXIB-VTHDOGFWSA-N 2 1 355.526 3.030 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000262683458 497599073 /nfs/dbraw/zinc/59/90/73/497599073.db2.gz WYGAVGLQWMTUSO-RTWAWAEBSA-N 2 1 351.494 3.257 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000262870863 497643419 /nfs/dbraw/zinc/64/34/19/497643419.db2.gz MHQWAUSXDJMSLW-WZONZLPQSA-N 2 1 365.521 3.409 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000246181619 497650253 /nfs/dbraw/zinc/65/02/53/497650253.db2.gz UCEXZQBDQKVSGQ-XCLNPWKQSA-N 2 1 366.933 3.337 20 0 FGADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)CO[C@H](C)c1ccc(Cl)cc1 ZINC000246181619 497650260 /nfs/dbraw/zinc/65/02/60/497650260.db2.gz UCEXZQBDQKVSGQ-XCLNPWKQSA-N 2 1 366.933 3.337 20 0 FGADMP Brc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000246230470 497669518 /nfs/dbraw/zinc/66/95/18/497669518.db2.gz MNLAGGJHHJFRON-PMPSAXMXSA-N 2 1 364.331 3.244 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCCC[NH+]2CCCC2)C1 ZINC000246283209 497683941 /nfs/dbraw/zinc/68/39/41/497683941.db2.gz CHHSSNKOXHKRAH-VQTJNVASSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000246303514 497690666 /nfs/dbraw/zinc/69/06/66/497690666.db2.gz LTQLEBMHOZIVOR-RTBURBONSA-N 2 1 374.573 3.269 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246346791 497704158 /nfs/dbraw/zinc/70/41/58/497704158.db2.gz FGQCDWAIPHPQOU-PXNSSMCTSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246346791 497704167 /nfs/dbraw/zinc/70/41/67/497704167.db2.gz FGQCDWAIPHPQOU-PXNSSMCTSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246346791 497704172 /nfs/dbraw/zinc/70/41/72/497704172.db2.gz FGQCDWAIPHPQOU-PXNSSMCTSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(OC(F)(F)F)cc1 ZINC000246381518 497715054 /nfs/dbraw/zinc/71/50/54/497715054.db2.gz KCDWMWOONJMWMO-AHEZYBDSSA-N 2 1 374.447 3.055 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c2)C[C@H](C)O1 ZINC000263145462 497716951 /nfs/dbraw/zinc/71/69/51/497716951.db2.gz CQXKJODTGLXXLP-JRYVEOFUSA-N 2 1 359.514 3.142 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])c2)C[C@H](C)O1 ZINC000263145462 497716958 /nfs/dbraw/zinc/71/69/58/497716958.db2.gz CQXKJODTGLXXLP-JRYVEOFUSA-N 2 1 359.514 3.142 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)[C@@H](C)C1 ZINC000246433903 497733147 /nfs/dbraw/zinc/73/31/47/497733147.db2.gz OCGUVPHKZBYZKQ-SMDDNHRTSA-N 2 1 365.827 3.453 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000246454631 497740145 /nfs/dbraw/zinc/74/01/45/497740145.db2.gz ORVYGNRQLVUBOV-GHTZIAJQSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H]([NH3+])c1ccccc1 ZINC000263258960 497744115 /nfs/dbraw/zinc/74/41/15/497744115.db2.gz LUHCOIYBMZMBER-HDAAZOAOSA-N 2 1 357.542 3.436 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000263263929 497744860 /nfs/dbraw/zinc/74/48/60/497744860.db2.gz RHTMMHHYOYBKMY-KCZVDYSFSA-N 2 1 357.542 3.265 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2)CC1 ZINC000194741058 497756146 /nfs/dbraw/zinc/75/61/46/497756146.db2.gz AKVRVWJSWYSOPV-KRWDZBQOSA-N 2 1 374.529 3.167 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCc2nccn2C)c1 ZINC000268526220 497772473 /nfs/dbraw/zinc/77/24/73/497772473.db2.gz ZWWRWQNDKUGHSM-UHFFFAOYSA-N 2 1 357.502 3.042 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000246570915 497777710 /nfs/dbraw/zinc/77/77/10/497777710.db2.gz YOSSQVRUUARBKV-AZUAARDMSA-N 2 1 366.594 3.116 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246638280 497792564 /nfs/dbraw/zinc/79/25/64/497792564.db2.gz JKMFYOLFOXIPGO-WBVHZDCISA-N 2 1 358.448 3.273 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000246638280 497792568 /nfs/dbraw/zinc/79/25/68/497792568.db2.gz JKMFYOLFOXIPGO-WBVHZDCISA-N 2 1 358.448 3.273 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000581240132 505941194 /nfs/dbraw/zinc/94/11/94/505941194.db2.gz VBTZUQIGVNZVHW-ROUUACIJSA-N 2 1 372.557 3.330 20 0 FGADMP c1c(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)nc2n1CCS2 ZINC000581310184 505957463 /nfs/dbraw/zinc/95/74/63/505957463.db2.gz NTTIZPOMOAAVTI-SFHVURJKSA-N 2 1 368.550 3.318 20 0 FGADMP c1c(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)nc2n1CCS2 ZINC000581310184 505957467 /nfs/dbraw/zinc/95/74/67/505957467.db2.gz NTTIZPOMOAAVTI-SFHVURJKSA-N 2 1 368.550 3.318 20 0 FGADMP C[NH+](C)CCN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000281026146 497991925 /nfs/dbraw/zinc/99/19/25/497991925.db2.gz OTFVVJSEYITZJX-UHFFFAOYSA-N 3 1 372.601 3.045 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000289146864 498035668 /nfs/dbraw/zinc/03/56/68/498035668.db2.gz FYZDSRTXNQWECB-PKOBYXMFSA-N 2 1 370.497 3.471 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301306791 498050640 /nfs/dbraw/zinc/05/06/40/498050640.db2.gz YTGQSCXINQNUTL-KRWDZBQOSA-N 2 1 358.917 3.495 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000301306791 498050645 /nfs/dbraw/zinc/05/06/45/498050645.db2.gz YTGQSCXINQNUTL-KRWDZBQOSA-N 2 1 358.917 3.495 20 0 FGADMP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285388562 498070993 /nfs/dbraw/zinc/07/09/93/498070993.db2.gz DIMAWPVAZXOFOD-WCRBZPEASA-N 2 1 355.526 3.370 20 0 FGADMP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285388562 498070987 /nfs/dbraw/zinc/07/09/87/498070987.db2.gz DIMAWPVAZXOFOD-WCRBZPEASA-N 2 1 355.526 3.370 20 0 FGADMP C[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285388562 498070998 /nfs/dbraw/zinc/07/09/98/498070998.db2.gz DIMAWPVAZXOFOD-WCRBZPEASA-N 2 1 355.526 3.370 20 0 FGADMP C[NH+](Cc1cccc(C(=O)N2CCCCC2)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285388562 498071004 /nfs/dbraw/zinc/07/10/04/498071004.db2.gz DIMAWPVAZXOFOD-WCRBZPEASA-N 2 1 355.526 3.370 20 0 FGADMP Clc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000569605564 505974387 /nfs/dbraw/zinc/97/43/87/505974387.db2.gz MWTRJKNCVOUTNO-FVQBIDKESA-N 2 1 373.722 3.349 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342334 498112206 /nfs/dbraw/zinc/11/22/06/498112206.db2.gz XCBIKTZSPBJKNV-RTBURBONSA-N 2 1 359.514 3.361 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285551495 498125309 /nfs/dbraw/zinc/12/53/09/498125309.db2.gz QUBKIOYOFNDLTN-DFNIBXOVSA-N 2 1 354.498 3.056 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285551495 498125319 /nfs/dbraw/zinc/12/53/19/498125319.db2.gz QUBKIOYOFNDLTN-DFNIBXOVSA-N 2 1 354.498 3.056 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285551495 498125314 /nfs/dbraw/zinc/12/53/14/498125314.db2.gz QUBKIOYOFNDLTN-DFNIBXOVSA-N 2 1 354.498 3.056 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000289404907 498135743 /nfs/dbraw/zinc/13/57/43/498135743.db2.gz LIFKVKNJSGQODK-QGZVFWFLSA-N 2 1 350.503 3.279 20 0 FGADMP CC(C)[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650884 505989227 /nfs/dbraw/zinc/98/92/27/505989227.db2.gz PQUFFNCVUDHVKZ-MOPGFXCFSA-N 2 1 353.514 3.299 20 0 FGADMP CC(C)[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650884 505989230 /nfs/dbraw/zinc/98/92/30/505989230.db2.gz PQUFFNCVUDHVKZ-MOPGFXCFSA-N 2 1 353.514 3.299 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000285906149 498237091 /nfs/dbraw/zinc/23/70/91/498237091.db2.gz CXRVKNIDWOXEPH-INMHGKMJSA-N 2 1 368.543 3.322 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000285906149 498237096 /nfs/dbraw/zinc/23/70/96/498237096.db2.gz CXRVKNIDWOXEPH-INMHGKMJSA-N 2 1 368.543 3.322 20 0 FGADMP C[N@H+]1CCC[C@H](N2CCN(c3cc(C(C)(C)C)nc(C(C)(C)C)n3)CC2)C1 ZINC000301724172 498239112 /nfs/dbraw/zinc/23/91/12/498239112.db2.gz LKEFWSKAYARGMZ-KRWDZBQOSA-N 2 1 373.589 3.288 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000575797677 506007195 /nfs/dbraw/zinc/00/71/95/506007195.db2.gz ZSVOIOAKFQYYKA-MOPGFXCFSA-N 2 1 365.521 3.477 20 0 FGADMP c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)CCC2 ZINC000360642861 498292799 /nfs/dbraw/zinc/29/27/99/498292799.db2.gz RDEKHFLLLKBTHE-MHTWAQMVSA-N 3 1 350.510 3.261 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3cccnc3)C(C)C)CC2)CC1 ZINC000572615100 506013072 /nfs/dbraw/zinc/01/30/72/506013072.db2.gz QZXANZLOFMRGMX-UHFFFAOYSA-N 2 1 372.557 3.015 20 0 FGADMP OC[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1c1ccccc1 ZINC000289836881 498315665 /nfs/dbraw/zinc/31/56/65/498315665.db2.gz MYWNVIQSWPQFGR-DHIUTWEWSA-N 2 1 350.506 3.407 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]31)C2 ZINC000360999104 498331502 /nfs/dbraw/zinc/33/15/02/498331502.db2.gz MSRCBYQLDXEKIM-VXPBHUBDSA-N 2 1 362.521 3.143 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]31)C2 ZINC000360999105 498331667 /nfs/dbraw/zinc/33/16/67/498331667.db2.gz MSRCBYQLDXEKIM-XHRGMSINSA-N 2 1 362.521 3.143 20 0 FGADMP CCOc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cnccn2)cc1 ZINC000569807069 506021201 /nfs/dbraw/zinc/02/12/01/506021201.db2.gz DGMNJYKFYAOZFM-UHFFFAOYSA-N 2 1 351.454 3.164 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000575895873 506027917 /nfs/dbraw/zinc/02/79/17/506027917.db2.gz OFHRCMXTLLUTCX-UHFFFAOYSA-N 2 1 370.472 3.245 20 0 FGADMP COCc1noc([C@@H](C)[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293420951 498379094 /nfs/dbraw/zinc/37/90/94/498379094.db2.gz SUTCZTGGEAUFNY-QGZVFWFLSA-N 2 1 370.497 3.265 20 0 FGADMP COCc1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293420951 498379099 /nfs/dbraw/zinc/37/90/99/498379099.db2.gz SUTCZTGGEAUFNY-QGZVFWFLSA-N 2 1 370.497 3.265 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578806399 506025242 /nfs/dbraw/zinc/02/52/42/506025242.db2.gz OPXSPOLXWYGATM-DSKINZAPSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000575885420 506026045 /nfs/dbraw/zinc/02/60/45/506026045.db2.gz NRZDQFBKKIODQE-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000575885420 506026048 /nfs/dbraw/zinc/02/60/48/506026048.db2.gz NRZDQFBKKIODQE-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575885420 506026051 /nfs/dbraw/zinc/02/60/51/506026051.db2.gz NRZDQFBKKIODQE-CTNGQTDRSA-N 2 1 357.542 3.231 20 0 FGADMP Oc1cccc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)c1Cl ZINC000293480607 498399460 /nfs/dbraw/zinc/39/94/60/498399460.db2.gz FSYPEDDKJNBNOP-UHFFFAOYSA-N 2 1 360.885 3.292 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)NC3CC[NH+](C(C)(C)C)CC3)CC2)[nH+]1 ZINC000365507823 498503637 /nfs/dbraw/zinc/50/36/37/498503637.db2.gz MRPMZRNQZDBGLL-UHFFFAOYSA-N 2 1 373.545 3.239 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981218 506048750 /nfs/dbraw/zinc/04/87/50/506048750.db2.gz BVKYCKIFHGYPNQ-CVEARBPZSA-N 2 1 374.447 3.155 20 0 FGADMP NC(=O)[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1ccc(F)cc1 ZINC000569926440 506049209 /nfs/dbraw/zinc/04/92/09/506049209.db2.gz HBKFKKWKCYYPOA-UXHICEINSA-N 2 1 367.468 3.139 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000294116255 498594171 /nfs/dbraw/zinc/59/41/71/498594171.db2.gz GEYLFVAYONFMGX-KRWDZBQOSA-N 2 1 373.541 3.496 20 0 FGADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1OC(=O)C1CC1 ZINC000290557548 498596951 /nfs/dbraw/zinc/59/69/51/498596951.db2.gz SCXLJBKSSVRUHV-UHFFFAOYSA-N 2 1 357.454 3.038 20 0 FGADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1OC(=O)C1CC1 ZINC000290557548 498596957 /nfs/dbraw/zinc/59/69/57/498596957.db2.gz SCXLJBKSSVRUHV-UHFFFAOYSA-N 2 1 357.454 3.038 20 0 FGADMP C[N@@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)CC1CC[NH+](C)CC1 ZINC000297906714 498605627 /nfs/dbraw/zinc/60/56/27/498605627.db2.gz SBDUGVFNXSWFRZ-UHFFFAOYSA-N 2 1 356.869 3.298 20 0 FGADMP C[N@H+](Cc1c(F)ccc(C2OCCO2)c1Cl)CC1CC[NH+](C)CC1 ZINC000297906714 498605633 /nfs/dbraw/zinc/60/56/33/498605633.db2.gz SBDUGVFNXSWFRZ-UHFFFAOYSA-N 2 1 356.869 3.298 20 0 FGADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc(Br)c1O ZINC000297943950 498617559 /nfs/dbraw/zinc/61/75/59/498617559.db2.gz VKYRDCUYSKTZJZ-UHFFFAOYSA-N 2 1 371.319 3.327 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000363041679 498618759 /nfs/dbraw/zinc/61/87/59/498618759.db2.gz WXZDEXRNSPRJIU-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)([NH+](C)C)C1 ZINC000303027044 498642274 /nfs/dbraw/zinc/64/22/74/498642274.db2.gz SMBDCPJETQYRGQ-SFHLNBCPSA-N 2 1 366.594 3.451 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000303064435 498644758 /nfs/dbraw/zinc/64/47/58/498644758.db2.gz YKNSLHFGPCKUPE-CTNGQTDRSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@@H]1CN(c2ccccc2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)CCO1 ZINC000298130660 498673804 /nfs/dbraw/zinc/67/38/04/498673804.db2.gz PZNSEVRUTUIQSQ-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000576132829 506084096 /nfs/dbraw/zinc/08/40/96/506084096.db2.gz HTQFKFAHAODJOV-FUHIMQAGSA-N 2 1 365.477 3.291 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312120548 498758157 /nfs/dbraw/zinc/75/81/57/498758157.db2.gz UXAIEPAVBVJKGD-QIJZPMMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000312120548 498758161 /nfs/dbraw/zinc/75/81/61/498758161.db2.gz UXAIEPAVBVJKGD-QIJZPMMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312120548 498758167 /nfs/dbraw/zinc/75/81/67/498758167.db2.gz UXAIEPAVBVJKGD-QIJZPMMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000312120548 498758173 /nfs/dbraw/zinc/75/81/73/498758173.db2.gz UXAIEPAVBVJKGD-QIJZPMMNSA-N 2 1 357.542 3.134 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000312112564 498758863 /nfs/dbraw/zinc/75/88/63/498758863.db2.gz NBVLUUDFWBNLHU-SESVDKBCSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000312112564 498758867 /nfs/dbraw/zinc/75/88/67/498758867.db2.gz NBVLUUDFWBNLHU-SESVDKBCSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312112564 498758871 /nfs/dbraw/zinc/75/88/71/498758871.db2.gz NBVLUUDFWBNLHU-SESVDKBCSA-N 2 1 357.542 3.135 20 0 FGADMP CCCCCNC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312112564 498758872 /nfs/dbraw/zinc/75/88/72/498758872.db2.gz NBVLUUDFWBNLHU-SESVDKBCSA-N 2 1 357.542 3.135 20 0 FGADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000287572553 498801122 /nfs/dbraw/zinc/80/11/22/498801122.db2.gz QRKUUIYIUDHOEY-RXVVDRJESA-N 2 1 362.477 3.423 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363413897 498806985 /nfs/dbraw/zinc/80/69/85/498806985.db2.gz IJPSMMHGPHMGIJ-RLLQIKCJSA-N 2 1 355.526 3.473 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(cnc3C3CCCCC3)C2)CC[N@H+]1C ZINC000332831769 498807858 /nfs/dbraw/zinc/80/78/58/498807858.db2.gz UAKDNQHDWLFDHY-NXHRZFHOSA-N 2 1 358.530 3.092 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1C ZINC000332831769 498807870 /nfs/dbraw/zinc/80/78/70/498807870.db2.gz UAKDNQHDWLFDHY-NXHRZFHOSA-N 2 1 358.530 3.092 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1ccccc1C ZINC000366230272 498833388 /nfs/dbraw/zinc/83/33/88/498833388.db2.gz CPZMDESOMPKORN-QGZVFWFLSA-N 2 1 355.530 3.030 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1cccc(Cl)c1 ZINC000366326770 498876380 /nfs/dbraw/zinc/87/63/80/498876380.db2.gz FTOLKAHZQXASPJ-HOJAQTOUSA-N 2 1 371.912 3.019 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)ncn1 ZINC000328726397 498916659 /nfs/dbraw/zinc/91/66/59/498916659.db2.gz ZONQGKRQKLGPKI-YYWHXJBOSA-N 2 1 373.545 3.014 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)ncn1 ZINC000328726393 498917009 /nfs/dbraw/zinc/91/70/09/498917009.db2.gz ZONQGKRQKLGPKI-DZFGPLHGSA-N 2 1 373.545 3.014 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]CC3=Cc4ccccc4OC3)CC2)CC1 ZINC000363661098 498929741 /nfs/dbraw/zinc/92/97/41/498929741.db2.gz IIDLEGDCWDSLNJ-UHFFFAOYSA-N 3 1 369.553 3.248 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H]1CCC[NH2+]C1 ZINC000576253433 506113924 /nfs/dbraw/zinc/11/39/24/506113924.db2.gz GKBRBYHFSMPKNN-WFXMLNOXSA-N 2 1 372.557 3.248 20 0 FGADMP C[N@H+]1CCCC12CCN(C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000363678468 498940033 /nfs/dbraw/zinc/94/00/33/498940033.db2.gz QQCSUBVKBCPQLC-QGZVFWFLSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000363678468 498940038 /nfs/dbraw/zinc/94/00/38/498940038.db2.gz QQCSUBVKBCPQLC-QGZVFWFLSA-N 2 1 356.432 3.169 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000363678468 498940044 /nfs/dbraw/zinc/94/00/44/498940044.db2.gz QQCSUBVKBCPQLC-QGZVFWFLSA-N 2 1 356.432 3.169 20 0 FGADMP C[NH+](C)Cc1ccc(C[NH2+]Cc2cn3ccc(Br)cc3n2)cc1 ZINC000576268906 506117440 /nfs/dbraw/zinc/11/74/40/506117440.db2.gz LJFNMKIRJUHWTC-UHFFFAOYSA-N 2 1 373.298 3.448 20 0 FGADMP CC(C)c1ccc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cn1 ZINC000363721955 498959810 /nfs/dbraw/zinc/95/98/10/498959810.db2.gz MHLXPMNMYCVKSM-UHFFFAOYSA-N 2 1 372.557 3.131 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547426 498973312 /nfs/dbraw/zinc/97/33/12/498973312.db2.gz ZVWUUXNVJOPXBH-ROUUACIJSA-N 2 1 362.518 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]2[C@@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000366547426 498973317 /nfs/dbraw/zinc/97/33/17/498973317.db2.gz ZVWUUXNVJOPXBH-ROUUACIJSA-N 2 1 362.518 3.303 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301533 506125216 /nfs/dbraw/zinc/12/52/16/506125216.db2.gz ZXSRUJIXQMPYMF-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576301533 506125219 /nfs/dbraw/zinc/12/52/19/506125219.db2.gz ZXSRUJIXQMPYMF-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576301533 506125221 /nfs/dbraw/zinc/12/52/21/506125221.db2.gz ZXSRUJIXQMPYMF-KNQAVFIVSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1nccn1Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000299242050 499003594 /nfs/dbraw/zinc/00/35/94/499003594.db2.gz KKFLDWIZBCOENJ-SFHVURJKSA-N 2 1 355.486 3.271 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000299242050 499003606 /nfs/dbraw/zinc/00/36/06/499003606.db2.gz KKFLDWIZBCOENJ-SFHVURJKSA-N 2 1 355.486 3.271 20 0 FGADMP O=C(NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)c1ccc2c[nH+]cn2c1 ZINC000283892524 499007961 /nfs/dbraw/zinc/00/79/61/499007961.db2.gz IKOGRQNEKCVHDK-IHWFROFDSA-N 2 1 360.461 3.260 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000363827748 499015216 /nfs/dbraw/zinc/01/52/16/499015216.db2.gz MFVJAKRBWMHECQ-VAKZPMALSA-N 2 1 359.514 3.185 20 0 FGADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000363827748 499015222 /nfs/dbraw/zinc/01/52/22/499015222.db2.gz MFVJAKRBWMHECQ-VAKZPMALSA-N 2 1 359.514 3.185 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364910 499038306 /nfs/dbraw/zinc/03/83/06/499038306.db2.gz PWKJRDRFVIRWIZ-FXAWDEMLSA-N 2 1 371.550 3.207 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000299364910 499038311 /nfs/dbraw/zinc/03/83/11/499038311.db2.gz PWKJRDRFVIRWIZ-FXAWDEMLSA-N 2 1 371.550 3.207 20 0 FGADMP C[NH+](C)C1CCN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284062077 499040054 /nfs/dbraw/zinc/04/00/54/499040054.db2.gz KVJVUBQOGHSGFE-UHFFFAOYSA-N 3 1 372.601 3.045 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196570 499066702 /nfs/dbraw/zinc/06/67/02/499066702.db2.gz SESIWDUNDRESSO-DHIUTWEWSA-N 2 1 371.569 3.228 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329204968 499071713 /nfs/dbraw/zinc/07/17/13/499071713.db2.gz XUDQHILKGJHVMQ-FQEVSTJZSA-N 2 1 366.509 3.103 20 0 FGADMP O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC(Cc2[nH]cc[nH+]2)CC1 ZINC000329204968 499071717 /nfs/dbraw/zinc/07/17/17/499071717.db2.gz XUDQHILKGJHVMQ-FQEVSTJZSA-N 2 1 366.509 3.103 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000284280245 499081434 /nfs/dbraw/zinc/08/14/34/499081434.db2.gz XXAPKYVEQZQRMW-GOTSBHOMSA-N 2 1 371.569 3.085 20 0 FGADMP Cc1ccc(NC(=[NH2+])NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000364039547 499095416 /nfs/dbraw/zinc/09/54/16/499095416.db2.gz RPJJJNALHIJJTM-UHFFFAOYSA-N 3 1 371.573 3.436 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000364051416 499100609 /nfs/dbraw/zinc/10/06/09/499100609.db2.gz AHCZUUHZWGDVEU-INIZCTEOSA-N 2 1 369.513 3.225 20 0 FGADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000576337832 506134463 /nfs/dbraw/zinc/13/44/63/506134463.db2.gz UUBUHLQVJUHULF-FYYLOGMGSA-N 2 1 366.505 3.299 20 0 FGADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000576337832 506134467 /nfs/dbraw/zinc/13/44/67/506134467.db2.gz UUBUHLQVJUHULF-FYYLOGMGSA-N 2 1 366.505 3.299 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)CC1 ZINC000366943111 499119699 /nfs/dbraw/zinc/11/96/99/499119699.db2.gz JMBMRURMROHAEI-PEVXEQIPSA-N 2 1 355.526 3.076 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c2ccccc2C1 ZINC000369839397 499136765 /nfs/dbraw/zinc/13/67/65/499136765.db2.gz FBSSABCQFWJRIN-KGVIQGDOSA-N 2 1 357.542 3.438 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201261 499160531 /nfs/dbraw/zinc/16/05/31/499160531.db2.gz RWEKGLMYVWNJJM-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@H](C(=O)Nc1c(F)cccc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367201261 499160533 /nfs/dbraw/zinc/16/05/33/499160533.db2.gz RWEKGLMYVWNJJM-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](F)(c3ccc(F)cc3)C2)CC1 ZINC000370004927 499164962 /nfs/dbraw/zinc/16/49/62/499164962.db2.gz FGDGCJNSJXCXKO-HXUWFJFHSA-N 2 1 351.485 3.112 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812669 499179064 /nfs/dbraw/zinc/17/90/64/499179064.db2.gz QLHJFYRQQUGJIC-MISYRCLQSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812669 499179065 /nfs/dbraw/zinc/17/90/65/499179065.db2.gz QLHJFYRQQUGJIC-MISYRCLQSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812669 499179066 /nfs/dbraw/zinc/17/90/66/499179066.db2.gz QLHJFYRQQUGJIC-MISYRCLQSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812669 499179067 /nfs/dbraw/zinc/17/90/67/499179067.db2.gz QLHJFYRQQUGJIC-MISYRCLQSA-N 2 1 356.510 3.315 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000372836016 499182367 /nfs/dbraw/zinc/18/23/67/499182367.db2.gz DYFSUQGMTTUPAD-HNNXBMFYSA-N 3 1 350.576 3.298 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NCc2cccs2)[C@H]1c1ccccc1 ZINC000367485662 499204970 /nfs/dbraw/zinc/20/49/70/499204970.db2.gz ZLIYPIMUMHBKEH-YLJYHZDGSA-N 2 1 357.523 3.037 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NCc2cccs2)[C@H]1c1ccccc1 ZINC000367485662 499204972 /nfs/dbraw/zinc/20/49/72/499204972.db2.gz ZLIYPIMUMHBKEH-YLJYHZDGSA-N 2 1 357.523 3.037 20 0 FGADMP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000367522311 499208712 /nfs/dbraw/zinc/20/87/12/499208712.db2.gz DSUPHQRHODLIJH-FOIPXRHGSA-N 2 1 351.535 3.286 20 0 FGADMP C[N@H+]1CC[C@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000367592826 499215827 /nfs/dbraw/zinc/21/58/27/499215827.db2.gz GWDGOQHNUYKWSF-FPOVZHCZSA-N 2 1 370.541 3.273 20 0 FGADMP Cn1cc(N2CC[C@H]([NH2+]C3CCC([N@@H+](C)Cc4ccccc4)CC3)C2)cn1 ZINC000367596254 499216122 /nfs/dbraw/zinc/21/61/22/499216122.db2.gz GGHAFLIXAONEKN-KBWCOIMZSA-N 2 1 367.541 3.032 20 0 FGADMP Cc1ccc(-c2cc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367680390 499224161 /nfs/dbraw/zinc/22/41/61/499224161.db2.gz ARXSLYDQEVVZAG-FQEVSTJZSA-N 2 1 368.525 3.250 20 0 FGADMP O[C@@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000370616185 499235800 /nfs/dbraw/zinc/23/58/00/499235800.db2.gz PNXXNGYJXRJLJV-FGZHOGPDSA-N 2 1 354.469 3.081 20 0 FGADMP CC(C)[C@]1(CO)CC[NH+](CCCCCC[N@@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000368070600 499261354 /nfs/dbraw/zinc/26/13/54/499261354.db2.gz CWPXRTPQANURFH-FGZHOGPDSA-N 2 1 368.606 3.228 20 0 FGADMP COCCCn1nccc1CNC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368116233 499265958 /nfs/dbraw/zinc/26/59/58/499265958.db2.gz UJKQPBQJJOTMQD-OAQYLSRUSA-N 2 1 370.541 3.312 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368116233 499265960 /nfs/dbraw/zinc/26/59/60/499265960.db2.gz UJKQPBQJJOTMQD-OAQYLSRUSA-N 2 1 370.541 3.312 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368116233 499265961 /nfs/dbraw/zinc/26/59/61/499265961.db2.gz UJKQPBQJJOTMQD-OAQYLSRUSA-N 2 1 370.541 3.312 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@@H+]2C)cc1 ZINC000368223755 499275874 /nfs/dbraw/zinc/27/58/74/499275874.db2.gz BFIPTFNVDYIJTL-OXJNMPFZSA-N 2 1 365.481 3.091 20 0 FGADMP COc1ccc([C@@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCC[N@H+]2C)cc1 ZINC000368223755 499275876 /nfs/dbraw/zinc/27/58/76/499275876.db2.gz BFIPTFNVDYIJTL-OXJNMPFZSA-N 2 1 365.481 3.091 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1F ZINC000368279722 499281119 /nfs/dbraw/zinc/28/11/19/499281119.db2.gz PPBAXHKQKKNXQM-AWEZNQCLSA-N 2 1 358.461 3.229 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)cc1 ZINC000368349032 499287542 /nfs/dbraw/zinc/28/75/42/499287542.db2.gz PZODLMZIFXMBEI-JLTOFOAXSA-N 2 1 366.440 3.067 20 0 FGADMP CCOc1ccccc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371095098 499287991 /nfs/dbraw/zinc/28/79/91/499287991.db2.gz TVLPAFKCBYFDRL-UHFFFAOYSA-N 2 1 373.541 3.011 20 0 FGADMP Cc1nc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000371158902 499294480 /nfs/dbraw/zinc/29/44/80/499294480.db2.gz XQQKATNGQZCQJQ-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP Cc1nc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000371158902 499294482 /nfs/dbraw/zinc/29/44/82/499294482.db2.gz XQQKATNGQZCQJQ-UHFFFAOYSA-N 3 1 350.576 3.080 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c2ccc(F)cc2C1 ZINC000368424830 499294830 /nfs/dbraw/zinc/29/48/30/499294830.db2.gz ALLAMIWCNAYNIV-UTKZUKDTSA-N 2 1 361.505 3.329 20 0 FGADMP C[C@@]1(CN[C@H](c2ncc[nH]2)c2ccncc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368529490 499304835 /nfs/dbraw/zinc/30/48/35/499304835.db2.gz BTTBGNQKMZTVAZ-UNMCSNQZSA-N 2 1 361.493 3.396 20 0 FGADMP CN(C(=O)CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)c1ccccc1 ZINC000371320321 499309633 /nfs/dbraw/zinc/30/96/33/499309633.db2.gz BMVKEEDACIALOI-GOSISDBHSA-N 2 1 355.526 3.236 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(F)cccc3N3CCCC3)C2)CC1 ZINC000371332169 499311489 /nfs/dbraw/zinc/31/14/89/499311489.db2.gz NLROSYGAASTDBI-LJQANCHMSA-N 2 1 374.548 3.026 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)C2)CC1 ZINC000371332098 499311502 /nfs/dbraw/zinc/31/15/02/499311502.db2.gz NCRKKNNYLRYIFR-QGZVFWFLSA-N 2 1 371.447 3.186 20 0 FGADMP COc1ccc2oc(C[N@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000371334716 499311917 /nfs/dbraw/zinc/31/19/17/499311917.db2.gz ZAPRSUDUGOEJOF-SFHVURJKSA-N 2 1 357.498 3.042 20 0 FGADMP C[C@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371338033 499312347 /nfs/dbraw/zinc/31/23/47/499312347.db2.gz YAGGZVRWCFPFFX-OXJNMPFZSA-N 2 1 372.944 3.346 20 0 FGADMP C[C@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371338033 499312349 /nfs/dbraw/zinc/31/23/49/499312349.db2.gz YAGGZVRWCFPFFX-OXJNMPFZSA-N 2 1 372.944 3.346 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000368600188 499312418 /nfs/dbraw/zinc/31/24/18/499312418.db2.gz GGVPKHUMTFFINS-LJQANCHMSA-N 2 1 372.557 3.485 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368609005 499313196 /nfs/dbraw/zinc/31/31/96/499313196.db2.gz UNECOVSMSWGPFG-UYTYNIKBSA-N 2 1 351.535 3.094 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC(C)C ZINC000371470815 499331393 /nfs/dbraw/zinc/33/13/93/499331393.db2.gz OQMXNRGWNFLECT-NLWGTHIKSA-N 2 1 362.514 3.166 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC(C)C ZINC000371470815 499331395 /nfs/dbraw/zinc/33/13/95/499331395.db2.gz OQMXNRGWNFLECT-NLWGTHIKSA-N 2 1 362.514 3.166 20 0 FGADMP CC[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3ccc(Cl)s3)CC2)C1 ZINC000368783823 499332262 /nfs/dbraw/zinc/33/22/62/499332262.db2.gz BNFNFGAZIVBUOB-HNNXBMFYSA-N 2 1 369.962 3.214 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000576379552 506144434 /nfs/dbraw/zinc/14/44/34/506144434.db2.gz KWEZONQBIALXLC-GFCCVEGCSA-N 2 1 353.388 3.290 20 0 FGADMP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000371589934 499345266 /nfs/dbraw/zinc/34/52/66/499345266.db2.gz WEEIFERYQPRDHP-SFHVURJKSA-N 2 1 372.557 3.341 20 0 FGADMP COc1ccccc1-c1noc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)n1 ZINC000371828434 499369472 /nfs/dbraw/zinc/36/94/72/499369472.db2.gz IKZZUQFJKPWEEI-CQSZACIVSA-N 2 1 355.442 3.381 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000369512097 499411033 /nfs/dbraw/zinc/41/10/33/499411033.db2.gz GWTYENXLJGCNEP-GOSISDBHSA-N 2 1 361.534 3.085 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ncccc2F)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000373448429 499470464 /nfs/dbraw/zinc/47/04/64/499470464.db2.gz LEUAFKXRJNTWNL-DFQSSKMNSA-N 2 1 368.500 3.300 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000373772171 499487168 /nfs/dbraw/zinc/48/71/68/499487168.db2.gz PFVHMGIECGGKRN-QZTJIDSGSA-N 2 1 359.518 3.157 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000378403547 499512856 /nfs/dbraw/zinc/51/28/56/499512856.db2.gz NKCHPAKIXJIKES-ZACQAIPSSA-N 2 1 363.571 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000375628193 499539000 /nfs/dbraw/zinc/53/90/00/499539000.db2.gz MZVMOVHVRGAHKY-DUXKGJEZSA-N 2 1 358.526 3.033 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379643772 499542222 /nfs/dbraw/zinc/54/22/22/499542222.db2.gz GBULNRXBMDNLFF-HMXCVIKNSA-N 2 1 354.494 3.069 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379643772 499542223 /nfs/dbraw/zinc/54/22/23/499542223.db2.gz GBULNRXBMDNLFF-HMXCVIKNSA-N 2 1 354.494 3.069 20 0 FGADMP Ic1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000385311545 499547873 /nfs/dbraw/zinc/54/78/73/499547873.db2.gz CDYBMXLGYLHCNF-UHFFFAOYSA-N 2 1 356.251 3.008 20 0 FGADMP COc1ccc([C@H](C)NCc2cnc(N(C)C)n2C)cc1Br ZINC000387180083 499549872 /nfs/dbraw/zinc/54/98/72/499549872.db2.gz ZATYSAGXOZJKCF-NSHDSACASA-N 2 1 367.291 3.108 20 0 FGADMP NC(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)c1 ZINC000388443045 499550649 /nfs/dbraw/zinc/55/06/49/499550649.db2.gz ZPAHXBSXGRTECV-HXUWFJFHSA-N 2 1 351.494 3.177 20 0 FGADMP NC(=O)c1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000388443045 499550651 /nfs/dbraw/zinc/55/06/51/499550651.db2.gz ZPAHXBSXGRTECV-HXUWFJFHSA-N 2 1 351.494 3.177 20 0 FGADMP COc1cc(C)nc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000389007188 499551858 /nfs/dbraw/zinc/55/18/58/499551858.db2.gz VZLBREKRXCXQEN-WOJBJXKFSA-N 2 1 351.494 3.353 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389105744 499552201 /nfs/dbraw/zinc/55/22/01/499552201.db2.gz PBMVOCMEGIYPLU-PXNSSMCTSA-N 2 1 352.478 3.458 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCOC[C@H]2CCOC2)CC1 ZINC000375855608 499562577 /nfs/dbraw/zinc/56/25/77/499562577.db2.gz BCUPICKFLGFLBG-ITAUSPCMSA-N 2 1 360.542 3.462 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000397960963 499565609 /nfs/dbraw/zinc/56/56/09/499565609.db2.gz DZJHZXCAJIWAQY-LSWJPFSZSA-N 2 1 368.521 3.235 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000398058006 499566383 /nfs/dbraw/zinc/56/63/83/499566383.db2.gz LSIGCNMFHVKYLH-UIFIKXQLSA-N 2 1 357.542 3.311 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000408132479 499577645 /nfs/dbraw/zinc/57/76/45/499577645.db2.gz KAWBFBRNIUTTFE-FGTMMUONSA-N 2 1 358.530 3.092 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000376567590 499619366 /nfs/dbraw/zinc/61/93/66/499619366.db2.gz XOYKOMFTJQZTFG-PELRDEGISA-N 2 1 373.516 3.171 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000410355421 499657263 /nfs/dbraw/zinc/65/72/63/499657263.db2.gz QYJHJIZHVKQANJ-UHFFFAOYSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322902 499679917 /nfs/dbraw/zinc/67/99/17/499679917.db2.gz RMAZRRRTBCCJFB-QZTJIDSGSA-N 2 1 373.545 3.015 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322902 499679918 /nfs/dbraw/zinc/67/99/18/499679918.db2.gz RMAZRRRTBCCJFB-QZTJIDSGSA-N 2 1 373.545 3.015 20 0 FGADMP Cn1cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377626238 499712352 /nfs/dbraw/zinc/71/23/52/499712352.db2.gz MEQOEYUTEIDLOC-OAQYLSRUSA-N 2 1 373.589 3.070 20 0 FGADMP Cn1cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C2CCCCC2)n1 ZINC000377626238 499712353 /nfs/dbraw/zinc/71/23/53/499712353.db2.gz MEQOEYUTEIDLOC-OAQYLSRUSA-N 2 1 373.589 3.070 20 0 FGADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000377648087 499715239 /nfs/dbraw/zinc/71/52/39/499715239.db2.gz KSZPUBDJWWJMRE-KRWDZBQOSA-N 2 1 374.525 3.484 20 0 FGADMP C[N@H+](CCc1cncs1)[C@@H]1CCC[NH+](CCc2cncs2)CC1 ZINC000411398385 499734399 /nfs/dbraw/zinc/73/43/99/499734399.db2.gz BPHNIEFRXYWLIJ-OAHLLOKOSA-N 2 1 350.557 3.171 20 0 FGADMP C[N@@H+](CCc1cncs1)[C@@H]1CCC[NH+](CCc2cncs2)CC1 ZINC000411398385 499734400 /nfs/dbraw/zinc/73/44/00/499734400.db2.gz BPHNIEFRXYWLIJ-OAHLLOKOSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cncs1)[C@@H]1CCC[N@H+](CCc2cncs2)CC1 ZINC000411398385 499734402 /nfs/dbraw/zinc/73/44/02/499734402.db2.gz BPHNIEFRXYWLIJ-OAHLLOKOSA-N 2 1 350.557 3.171 20 0 FGADMP C[NH+](CCc1cncs1)[C@@H]1CCC[N@@H+](CCc2cncs2)CC1 ZINC000411398385 499734404 /nfs/dbraw/zinc/73/44/04/499734404.db2.gz BPHNIEFRXYWLIJ-OAHLLOKOSA-N 2 1 350.557 3.171 20 0 FGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1 ZINC000411415027 499737390 /nfs/dbraw/zinc/73/73/90/499737390.db2.gz MVJSFGRJQSBJFB-GCJKJVERSA-N 2 1 352.526 3.001 20 0 FGADMP Cc1ccc2ncc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c1 ZINC000411415027 499737392 /nfs/dbraw/zinc/73/73/92/499737392.db2.gz MVJSFGRJQSBJFB-GCJKJVERSA-N 2 1 352.526 3.001 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860306 499742588 /nfs/dbraw/zinc/74/25/88/499742588.db2.gz MGAAEQAGRGTPOH-SJORKVTESA-N 2 1 352.482 3.265 20 0 FGADMP C[C@H](c1ccc(N2CCCC2=O)cc1)[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860306 499742589 /nfs/dbraw/zinc/74/25/89/499742589.db2.gz MGAAEQAGRGTPOH-SJORKVTESA-N 2 1 352.482 3.265 20 0 FGADMP Cn1cnc(CC[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000414128435 499763041 /nfs/dbraw/zinc/76/30/41/499763041.db2.gz RZAWVNUSZXVOGI-ILWGZMRPSA-N 2 1 352.526 3.243 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000414261472 499772498 /nfs/dbraw/zinc/77/24/98/499772498.db2.gz IBHXJFICXXAPNS-QHAWAJNXSA-N 2 1 358.526 3.215 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000414261472 499772500 /nfs/dbraw/zinc/77/25/00/499772500.db2.gz IBHXJFICXXAPNS-QHAWAJNXSA-N 2 1 358.526 3.215 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)C ZINC000411986556 499810084 /nfs/dbraw/zinc/81/00/84/499810084.db2.gz PPIGSJUAHFCDLQ-MSOLQXFVSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC000411986556 499810086 /nfs/dbraw/zinc/81/00/86/499810086.db2.gz PPIGSJUAHFCDLQ-MSOLQXFVSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[NH+](CC[C@H]1CCC[N@H+]1C)C(C)C ZINC000411986556 499810087 /nfs/dbraw/zinc/81/00/87/499810087.db2.gz PPIGSJUAHFCDLQ-MSOLQXFVSA-N 2 1 366.571 3.343 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[N@H+](CCn1cc[nH+]c1C)C(C)C ZINC000411988671 499810398 /nfs/dbraw/zinc/81/03/98/499810398.db2.gz SHYMFULZCJOPAW-KRWDZBQOSA-N 2 1 363.527 3.064 20 0 FGADMP CSc1ccccc1OC[C@@H](O)C[N@@H+](CCn1cc[nH+]c1C)C(C)C ZINC000411988671 499810400 /nfs/dbraw/zinc/81/04/00/499810400.db2.gz SHYMFULZCJOPAW-KRWDZBQOSA-N 2 1 363.527 3.064 20 0 FGADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2Cl)C2CCCC2)C1 ZINC000414695188 499821222 /nfs/dbraw/zinc/82/12/22/499821222.db2.gz OIAIQVXMNHBCEH-MRXNPFEDSA-N 2 1 363.933 3.282 20 0 FGADMP CC(=O)NCC[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414752691 499826730 /nfs/dbraw/zinc/82/67/30/499826730.db2.gz LBZBJRSCJIXIHF-ZFWWWQNUSA-N 2 1 372.340 3.320 20 0 FGADMP Cc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000414786749 499831042 /nfs/dbraw/zinc/83/10/42/499831042.db2.gz UUFIOLGXFBWLCT-KRWDZBQOSA-N 2 1 357.523 3.306 20 0 FGADMP Cc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cs2)cc1 ZINC000414786749 499831044 /nfs/dbraw/zinc/83/10/44/499831044.db2.gz UUFIOLGXFBWLCT-KRWDZBQOSA-N 2 1 357.523 3.306 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)CC[C@@H]21 ZINC000412188528 499832139 /nfs/dbraw/zinc/83/21/39/499832139.db2.gz BUWCHJMACUUAER-RTWAWAEBSA-N 2 1 355.526 3.229 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414815096 499834117 /nfs/dbraw/zinc/83/41/17/499834117.db2.gz ZXGOVNHYCUKBDU-SMDDNHRTSA-N 2 1 354.285 3.181 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(Br)c1O ZINC000414815868 499834199 /nfs/dbraw/zinc/83/41/99/499834199.db2.gz YPDNVNIXXAEBJE-LLVKDONJSA-N 2 1 365.271 3.473 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414826931 499835004 /nfs/dbraw/zinc/83/50/04/499835004.db2.gz KBQAKTOQPRUSIT-LLVKDONJSA-N 2 1 363.246 3.448 20 0 FGADMP Fc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)ccc1Br ZINC000414888792 499841903 /nfs/dbraw/zinc/84/19/03/499841903.db2.gz YDBGVDYGMOMQAS-UHFFFAOYSA-N 2 1 352.251 3.253 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000414906429 499843533 /nfs/dbraw/zinc/84/35/33/499843533.db2.gz PPJJXOMWPADKIA-DOTOQJQBSA-N 2 1 355.486 3.256 20 0 FGADMP C[N@@H+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C[C@H](O)C[NH3+] ZINC000415065144 499859947 /nfs/dbraw/zinc/85/99/47/499859947.db2.gz FMHQFMKDEYHZLS-OAHLLOKOSA-N 2 1 369.292 3.324 20 0 FGADMP C[N@H+](Cc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)C[C@H](O)C[NH3+] ZINC000415065144 499859948 /nfs/dbraw/zinc/85/99/48/499859948.db2.gz FMHQFMKDEYHZLS-OAHLLOKOSA-N 2 1 369.292 3.324 20 0 FGADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CCCC1 ZINC000415069383 499860623 /nfs/dbraw/zinc/86/06/23/499860623.db2.gz SJCDGXHQMCCNHS-MRXNPFEDSA-N 2 1 352.404 3.498 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1 ZINC000415078153 499861482 /nfs/dbraw/zinc/86/14/82/499861482.db2.gz FQXSGRVKCKLZMW-LEWJYISDSA-N 2 1 353.510 3.210 20 0 FGADMP O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415089741 499862402 /nfs/dbraw/zinc/86/24/02/499862402.db2.gz WRTWJFCTWDMLOE-YADHBBJMSA-N 2 1 363.505 3.392 20 0 FGADMP c1ccc([C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)N2CCOCC2)cc1 ZINC000415091540 499862500 /nfs/dbraw/zinc/86/25/00/499862500.db2.gz QQSIYCACODWEDC-VJBWXMMDSA-N 2 1 365.521 3.143 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)CC2)oc1C ZINC000415093854 499862740 /nfs/dbraw/zinc/86/27/40/499862740.db2.gz WIJORMCGBLJDMI-UZLBHIALSA-N 3 1 362.562 3.404 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000415100440 499863444 /nfs/dbraw/zinc/86/34/44/499863444.db2.gz AHWKUJHORSBTQI-HIFRSBDPSA-N 2 1 359.333 3.229 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(F)c(Br)c2)CC1 ZINC000415100312 499863477 /nfs/dbraw/zinc/86/34/77/499863477.db2.gz ABGFXVCDHCKNBH-SJORKVTESA-N 2 1 371.294 3.307 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](C[C@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000415120658 499866229 /nfs/dbraw/zinc/86/62/29/499866229.db2.gz JAHDTTDRGKTEMG-FGTMMUONSA-N 2 1 366.571 3.247 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccc(C(F)(F)F)cc1 ZINC000415127856 499867396 /nfs/dbraw/zinc/86/73/96/499867396.db2.gz NJWGEQCQGMROBG-GUYCJALGSA-N 2 1 367.419 3.196 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCc3c(Cl)cccc3Cl)C2)nn1 ZINC000415130117 499867730 /nfs/dbraw/zinc/86/77/30/499867730.db2.gz QKZFUTTXCNSTLL-CQSZACIVSA-N 2 1 368.312 3.313 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(Br)s3)CC2)C1 ZINC000415129041 499867879 /nfs/dbraw/zinc/86/78/79/499867879.db2.gz UDPOPIRIKQWFGQ-JSGCOSHPSA-N 2 1 359.333 3.229 20 0 FGADMP C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000415135935 499868819 /nfs/dbraw/zinc/86/88/19/499868819.db2.gz WVMCERLCONFIBC-DZGCQCFKSA-N 2 1 363.303 3.052 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Br)cc3)c2)C[C@H]1C[NH3+] ZINC000415135935 499868821 /nfs/dbraw/zinc/86/88/21/499868821.db2.gz WVMCERLCONFIBC-DZGCQCFKSA-N 2 1 363.303 3.052 20 0 FGADMP C[C@@H](c1ccc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000415188535 499875011 /nfs/dbraw/zinc/87/50/11/499875011.db2.gz VKNAZHGADZRTEN-OXJNMPFZSA-N 2 1 374.529 3.109 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000415905993 499926759 /nfs/dbraw/zinc/92/67/59/499926759.db2.gz WDJAQSPVBVNOII-UHFFFAOYSA-N 2 1 352.482 3.146 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000415915594 499927912 /nfs/dbraw/zinc/92/79/12/499927912.db2.gz ZJYLHMGSYAFTLR-XLIONFOSSA-N 2 1 356.514 3.277 20 0 FGADMP CC[C@H](CNC(=O)Nc1cccc(C[NH2+]C)c1)[N@H+]1CCc2ccccc2C1 ZINC000415927398 499929452 /nfs/dbraw/zinc/92/94/52/499929452.db2.gz FOJFLLUVINMSKZ-OAQYLSRUSA-N 2 1 366.509 3.364 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000415932213 499929933 /nfs/dbraw/zinc/92/99/33/499929933.db2.gz MPDAXMCIVYETOV-LJQANCHMSA-N 2 1 370.497 3.229 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H](C)C2)c1 ZINC000415933889 499930263 /nfs/dbraw/zinc/93/02/63/499930263.db2.gz QRLCNMUOFBRCJR-GOSISDBHSA-N 2 1 366.509 3.392 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949920 499932406 /nfs/dbraw/zinc/93/24/06/499932406.db2.gz CLKHNFIEYQALHP-HNNXBMFYSA-N 2 1 362.493 3.248 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415964520 499934243 /nfs/dbraw/zinc/93/42/43/499934243.db2.gz WLCUFGNKPBRJIE-FQEVSTJZSA-N 2 1 354.498 3.423 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415963573 499934346 /nfs/dbraw/zinc/93/43/46/499934346.db2.gz VUQXXNQDAOPUJZ-CYBMUJFWSA-N 2 1 372.435 3.360 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000415983413 499937201 /nfs/dbraw/zinc/93/72/01/499937201.db2.gz GIQUXKZLCZMAOM-UHFFFAOYSA-N 2 1 352.482 3.146 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415994889 499938967 /nfs/dbraw/zinc/93/89/67/499938967.db2.gz JELOJWNTPMYLEC-FQEVSTJZSA-N 2 1 350.466 3.028 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417037809 499955027 /nfs/dbraw/zinc/95/50/27/499955027.db2.gz IRQWWRBXNISLKV-AQNXPRMDSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000428982967 499972691 /nfs/dbraw/zinc/97/26/91/499972691.db2.gz UJOZNQPLDOIJQJ-KNQAVFIVSA-N 2 1 365.521 3.193 20 0 FGADMP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417218564 500008017 /nfs/dbraw/zinc/00/80/17/500008017.db2.gz LKYATMGNHOZXMR-QGZVFWFLSA-N 2 1 360.546 3.106 20 0 FGADMP C[C@@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC[C@@H]1[NH3+] ZINC000429192123 500022128 /nfs/dbraw/zinc/02/21/28/500022128.db2.gz ZGOFZFFCBLERKU-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@](C)(C[NH3+])C2CC2)c1 ZINC000429219229 500026178 /nfs/dbraw/zinc/02/61/78/500026178.db2.gz AUWRRIBCOQKBKM-JOCHJYFZSA-N 2 1 351.494 3.176 20 0 FGADMP COc1cc2[nH+]ccc(N3CC[N@@H+](C)C[C@@H]3C)c2cc1Br ZINC000425231797 500050959 /nfs/dbraw/zinc/05/09/59/500050959.db2.gz SVPZQRSGPJIJOB-NSHDSACASA-N 2 1 350.260 3.146 20 0 FGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccn(C)n1 ZINC000576505675 506174165 /nfs/dbraw/zinc/17/41/65/506174165.db2.gz LTDGBGSBTGAPED-OAQYLSRUSA-N 2 1 369.557 3.059 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425319542 500074270 /nfs/dbraw/zinc/07/42/70/500074270.db2.gz CVJIDRQBYHTHIK-CQSZACIVSA-N 2 1 352.548 3.405 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)CC2(OC)CCC2)CC1 ZINC000429514793 500091357 /nfs/dbraw/zinc/09/13/57/500091357.db2.gz AJRLELDWBMOPSV-IBGZPJMESA-N 2 1 359.558 3.261 20 0 FGADMP COC(=O)[C@H](CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000425419339 500100596 /nfs/dbraw/zinc/10/05/96/500100596.db2.gz KYVIHJKOFCHZOX-CEWLAPEOSA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000425419339 500100598 /nfs/dbraw/zinc/10/05/98/500100598.db2.gz KYVIHJKOFCHZOX-CEWLAPEOSA-N 2 1 356.510 3.282 20 0 FGADMP COC(=O)[C@H](CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000425419339 500100603 /nfs/dbraw/zinc/10/06/03/500100603.db2.gz KYVIHJKOFCHZOX-CEWLAPEOSA-N 2 1 356.510 3.282 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429558936 500102523 /nfs/dbraw/zinc/10/25/23/500102523.db2.gz NKRJWCMSRDAJNN-PMACEKPBSA-N 2 1 362.558 3.448 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429558936 500102525 /nfs/dbraw/zinc/10/25/25/500102525.db2.gz NKRJWCMSRDAJNN-PMACEKPBSA-N 2 1 362.558 3.448 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@H](N)c1cscn1)C1CCCCC1 ZINC000573362332 506180026 /nfs/dbraw/zinc/18/00/26/506180026.db2.gz DQNFIBQFNZOOTB-LJQANCHMSA-N 2 1 372.538 3.224 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425435738 500106079 /nfs/dbraw/zinc/10/60/79/500106079.db2.gz UHLJQZIJGVEUAZ-QUCCMNQESA-N 2 1 368.525 3.370 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-c3ccccn3)nc2)[C@H](C)C1 ZINC000425435738 500106082 /nfs/dbraw/zinc/10/60/82/500106082.db2.gz UHLJQZIJGVEUAZ-QUCCMNQESA-N 2 1 368.525 3.370 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000421678889 500113858 /nfs/dbraw/zinc/11/38/58/500113858.db2.gz FGPQUMGTEVYGAI-MHJFOBGBSA-N 2 1 361.505 3.169 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000421678889 500113863 /nfs/dbraw/zinc/11/38/63/500113863.db2.gz FGPQUMGTEVYGAI-MHJFOBGBSA-N 2 1 361.505 3.169 20 0 FGADMP CCNC(=O)[C@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000425531365 500134431 /nfs/dbraw/zinc/13/44/31/500134431.db2.gz ABSDHVLGEAAXCC-JOCHJYFZSA-N 2 1 374.488 3.244 20 0 FGADMP CCNC(=O)[C@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-n2ccnc2)cc1C ZINC000425531365 500134438 /nfs/dbraw/zinc/13/44/38/500134438.db2.gz ABSDHVLGEAAXCC-JOCHJYFZSA-N 2 1 374.488 3.244 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000414065632 500142595 /nfs/dbraw/zinc/14/25/95/500142595.db2.gz GFHLXSLBXDIQPR-WIYYLYMNSA-N 2 1 353.510 3.175 20 0 FGADMP Cc1ccc([C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000573355150 506178800 /nfs/dbraw/zinc/17/88/00/506178800.db2.gz SMGRZOGFJQAVEE-TZIWHRDSSA-N 2 1 372.534 3.220 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc4n(n3)CCC4)CC2)cs1 ZINC000414112466 500156643 /nfs/dbraw/zinc/15/66/43/500156643.db2.gz JVPXQZLUHVJMNB-HNNXBMFYSA-N 2 1 373.570 3.411 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1csc(-c2ccccc2)n1 ZINC000414122132 500159231 /nfs/dbraw/zinc/15/92/31/500159231.db2.gz AXNHOJOWLKHPGN-INIZCTEOSA-N 2 1 358.555 3.487 20 0 FGADMP O[C@H](CN[C@H]1CC[N@@H+]2CCCC[C@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296124 506179726 /nfs/dbraw/zinc/17/97/26/506179726.db2.gz RGGOVPOXNPQNDT-AKIFATBCSA-N 2 1 366.505 3.310 20 0 FGADMP O[C@H](CN[C@H]1CC[N@H+]2CCCC[C@H]12)COc1ccc(-c2ccccc2)cc1 ZINC000582296124 506179729 /nfs/dbraw/zinc/17/97/29/506179729.db2.gz RGGOVPOXNPQNDT-AKIFATBCSA-N 2 1 366.505 3.310 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000416969955 500169878 /nfs/dbraw/zinc/16/98/78/500169878.db2.gz MFWVZGSNCAWITI-TZIWHRDSSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCC[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000416970206 500169935 /nfs/dbraw/zinc/16/99/35/500169935.db2.gz NCJZZPPMLKBUHY-RTBURBONSA-N 2 1 372.557 3.107 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000582300862 506180301 /nfs/dbraw/zinc/18/03/01/506180301.db2.gz GXACUPFIUHHUMF-BZSNNMDCSA-N 2 1 364.555 3.266 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000416984261 500174999 /nfs/dbraw/zinc/17/49/99/500174999.db2.gz XZSFWJXBJKAPAJ-ZWKOTPCHSA-N 2 1 360.546 3.378 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2)C1 ZINC000416993434 500178537 /nfs/dbraw/zinc/17/85/37/500178537.db2.gz QFYYOQQOODTBAJ-IIMDRIAPSA-N 2 1 372.557 3.104 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000582300865 506180810 /nfs/dbraw/zinc/18/08/10/506180810.db2.gz GXACUPFIUHHUMF-SQNIBIBYSA-N 2 1 364.555 3.266 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000430020600 500181963 /nfs/dbraw/zinc/18/19/63/500181963.db2.gz HKYRVAJQNFLLRV-GOSISDBHSA-N 2 1 356.514 3.483 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000430026140 500182372 /nfs/dbraw/zinc/18/23/72/500182372.db2.gz BHNRPMNHMKUBEX-GOSISDBHSA-N 2 1 356.514 3.339 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000430026140 500182377 /nfs/dbraw/zinc/18/23/77/500182377.db2.gz BHNRPMNHMKUBEX-GOSISDBHSA-N 2 1 356.514 3.339 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@@H](C[NH2+]C)C2)c1 ZINC000417868710 500187530 /nfs/dbraw/zinc/18/75/30/500187530.db2.gz CXOXKGDTBMNQJH-NRFANRHFSA-N 2 1 374.573 3.450 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)NCC1([NH3+])CCCCC1 ZINC000417896624 500194172 /nfs/dbraw/zinc/19/41/72/500194172.db2.gz PTSIKSKCJOIMTE-RUYXUALKSA-N 2 1 372.557 3.104 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000430129315 500196877 /nfs/dbraw/zinc/19/68/77/500196877.db2.gz UXFMJTGAAYBLHU-MRXNPFEDSA-N 2 1 365.456 3.426 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000430129315 500196881 /nfs/dbraw/zinc/19/68/81/500196881.db2.gz UXFMJTGAAYBLHU-MRXNPFEDSA-N 2 1 365.456 3.426 20 0 FGADMP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035350 500203142 /nfs/dbraw/zinc/20/31/42/500203142.db2.gz LCVGWFTXNJQZBP-QZTJIDSGSA-N 2 1 358.530 3.046 20 0 FGADMP CN(C[C@H]1CCC[N@H+]1C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422035350 500203145 /nfs/dbraw/zinc/20/31/45/500203145.db2.gz LCVGWFTXNJQZBP-QZTJIDSGSA-N 2 1 358.530 3.046 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417988164 500210330 /nfs/dbraw/zinc/21/03/30/500210330.db2.gz RSYKHIGWVMBLIM-WIYYLYMNSA-N 2 1 368.525 3.286 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418017105 500214787 /nfs/dbraw/zinc/21/47/87/500214787.db2.gz RZMWDELSLZMSMY-FIKGOQFSSA-N 2 1 366.509 3.026 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000418046182 500219911 /nfs/dbraw/zinc/21/99/11/500219911.db2.gz PYWGWQBNRDBZIS-CTNGQTDRSA-N 2 1 360.546 3.056 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000582314784 506184344 /nfs/dbraw/zinc/18/43/44/506184344.db2.gz NVKKUEJZDDFIOJ-RDTXWAMCSA-N 2 1 369.431 3.450 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000582314782 506184611 /nfs/dbraw/zinc/18/46/11/506184611.db2.gz NVKKUEJZDDFIOJ-KDOFPFPSSA-N 2 1 369.431 3.450 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430543838 500252035 /nfs/dbraw/zinc/25/20/35/500252035.db2.gz NERZUZWCMMJCFW-UHFFFAOYSA-N 2 1 365.905 3.141 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418240127 500254406 /nfs/dbraw/zinc/25/44/06/500254406.db2.gz PHHDGFZHKFWIPF-PMACEKPBSA-N 2 1 360.546 3.105 20 0 FGADMP [NH3+]CCCOC1CC[NH+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1 ZINC000430579411 500257744 /nfs/dbraw/zinc/25/77/44/500257744.db2.gz GFKCERKWKOVUIF-NRFANRHFSA-N 2 1 367.493 3.196 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430610086 500261353 /nfs/dbraw/zinc/26/13/53/500261353.db2.gz JTBAEHNQTHEYAR-PXNSSMCTSA-N 2 1 357.542 3.318 20 0 FGADMP CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000430610086 500261356 /nfs/dbraw/zinc/26/13/56/500261356.db2.gz JTBAEHNQTHEYAR-PXNSSMCTSA-N 2 1 357.542 3.318 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000430619673 500263037 /nfs/dbraw/zinc/26/30/37/500263037.db2.gz AHHGFZSACDTUTA-UTKZUKDTSA-N 2 1 371.550 3.275 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000418337977 500264500 /nfs/dbraw/zinc/26/45/00/500264500.db2.gz YQOWSZSZBOXFGQ-FFZOFVMBSA-N 2 1 360.546 3.324 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CCC(C)(C)C ZINC000430671768 500267975 /nfs/dbraw/zinc/26/79/75/500267975.db2.gz RHSSFJIYTFPFCK-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1C(C)(C)C1(C)C ZINC000430672503 500268054 /nfs/dbraw/zinc/26/80/54/500268054.db2.gz UPHJXKHKVIOJFY-UHFFFAOYSA-N 2 1 363.590 3.323 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413488 500270793 /nfs/dbraw/zinc/27/07/93/500270793.db2.gz WWDUZCUOTOCZRG-YLJYHZDGSA-N 2 1 355.526 3.393 20 0 FGADMP [NH3+]C1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCCC1 ZINC000430708055 500272819 /nfs/dbraw/zinc/27/28/19/500272819.db2.gz RTKCPXVHJZTNLY-NRFANRHFSA-N 2 1 355.526 3.163 20 0 FGADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000430729104 500275814 /nfs/dbraw/zinc/27/58/14/500275814.db2.gz FFLYGRNZUGZQKU-YFVAEKQCSA-N 2 1 357.542 3.379 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000418453768 500278303 /nfs/dbraw/zinc/27/83/03/500278303.db2.gz ZLSSVTGNOLYCBT-DFQSSKMNSA-N 2 1 360.546 3.198 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000430768997 500282928 /nfs/dbraw/zinc/28/29/28/500282928.db2.gz RBOBPGUYPOQYSF-VXKWHMMOSA-N 2 1 370.562 3.392 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCc1ccccc1 ZINC000430768997 500282930 /nfs/dbraw/zinc/28/29/30/500282930.db2.gz RBOBPGUYPOQYSF-VXKWHMMOSA-N 2 1 370.562 3.392 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418675197 500306045 /nfs/dbraw/zinc/30/60/45/500306045.db2.gz QMYRUMVBPRQUST-LJQANCHMSA-N 2 1 372.557 3.202 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1 ZINC000430921760 500307312 /nfs/dbraw/zinc/30/73/12/500307312.db2.gz ZMEFYDTXARANME-UHFFFAOYSA-N 2 1 367.493 3.136 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418687590 500308207 /nfs/dbraw/zinc/30/82/07/500308207.db2.gz DNJBEGCUPJRDEN-GGPKGHCWSA-N 2 1 360.546 3.198 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000422893390 500312280 /nfs/dbraw/zinc/31/22/80/500312280.db2.gz QHYGWXCJFHBOSG-WIYYLYMNSA-N 2 1 352.526 3.366 20 0 FGADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c(C(F)(F)F)c2)n1 ZINC000422907604 500314761 /nfs/dbraw/zinc/31/47/61/500314761.db2.gz XFDAHOKNCKBEEE-DLBZAZTESA-N 2 1 352.404 3.477 20 0 FGADMP CCN1CC[NH+](Cc2ccc(N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000422915284 500316096 /nfs/dbraw/zinc/31/60/96/500316096.db2.gz APVCFNKVJAVHQE-FDFHNCONSA-N 2 1 356.558 3.157 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014525 500323355 /nfs/dbraw/zinc/32/33/55/500323355.db2.gz KAZQZVHGNYBZCP-ROUUACIJSA-N 2 1 373.541 3.372 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOc3ccccc3F)CC2)C[C@H](C)O1 ZINC000426821465 500325030 /nfs/dbraw/zinc/32/50/30/500325030.db2.gz SXSAVFMZVLYXMT-HDICACEKSA-N 2 1 364.505 3.416 20 0 FGADMP CC1CC[NH+](Cc2ccccc2CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422970206 500325416 /nfs/dbraw/zinc/32/54/16/500325416.db2.gz VUYZMWAFMUHIJJ-DNVJHFABSA-N 2 1 371.569 3.165 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccn1 ZINC000422982097 500326880 /nfs/dbraw/zinc/32/68/80/500326880.db2.gz VNIKBVKCRIKMHA-FFGOWVMKSA-N 2 1 361.530 3.142 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422989183 500327626 /nfs/dbraw/zinc/32/76/26/500327626.db2.gz KRKQXWXPILQLMD-JSGCOSHPSA-N 2 1 353.388 3.015 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1)c1c[nH+]ccc1N ZINC000422989182 500327868 /nfs/dbraw/zinc/32/78/68/500327868.db2.gz KRKQXWXPILQLMD-GXTWGEPZSA-N 2 1 353.388 3.015 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431071853 500331406 /nfs/dbraw/zinc/33/14/06/500331406.db2.gz WIQLYMYZCBHCFY-NRFANRHFSA-N 2 1 371.550 3.418 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431071853 500331408 /nfs/dbraw/zinc/33/14/08/500331408.db2.gz WIQLYMYZCBHCFY-NRFANRHFSA-N 2 1 371.550 3.418 20 0 FGADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ccc(Br)cc1C(F)(F)F ZINC000423021903 500331945 /nfs/dbraw/zinc/33/19/45/500331945.db2.gz GNQBASZQAUYNSU-NWDGAFQWSA-N 2 1 367.209 3.316 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431074345 500332172 /nfs/dbraw/zinc/33/21/72/500332172.db2.gz SQXXNJOBXVWRAO-QGZVFWFLSA-N 2 1 353.510 3.481 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](C)c1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000431074345 500332174 /nfs/dbraw/zinc/33/21/74/500332174.db2.gz SQXXNJOBXVWRAO-QGZVFWFLSA-N 2 1 353.510 3.481 20 0 FGADMP Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1Br ZINC000423066036 500337285 /nfs/dbraw/zinc/33/72/85/500337285.db2.gz CPFCNMLFILPUAL-BZUAXINKSA-N 2 1 353.304 3.004 20 0 FGADMP Cn1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccc(Cl)cc21 ZINC000423065934 500337558 /nfs/dbraw/zinc/33/75/58/500337558.db2.gz VQOLBVSCBGHWOS-OTWHNJEPSA-N 2 1 361.917 3.121 20 0 FGADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CSCC[N@@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077523 500339315 /nfs/dbraw/zinc/33/93/15/500339315.db2.gz UDGUVRMWHIJCGZ-WMQCIHAUSA-N 2 1 353.535 3.338 20 0 FGADMP [NH3+][C@@H]1C[C@H](NC[C@H]2CSCC[N@H+]2Cc2ccccc2)c2ccccc21 ZINC000423077523 500339320 /nfs/dbraw/zinc/33/93/20/500339320.db2.gz UDGUVRMWHIJCGZ-WMQCIHAUSA-N 2 1 353.535 3.338 20 0 FGADMP CC[C@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423079785 500339709 /nfs/dbraw/zinc/33/97/09/500339709.db2.gz AVJMEYYCYNIONJ-XIRDDKMYSA-N 2 1 352.320 3.148 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCC2(CC[NH+](Cc3ccccc3)C2)CC1 ZINC000426986585 500341564 /nfs/dbraw/zinc/34/15/64/500341564.db2.gz MDUZQTXMWBMKLF-NRFANRHFSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000426986585 500341566 /nfs/dbraw/zinc/34/15/66/500341566.db2.gz MDUZQTXMWBMKLF-NRFANRHFSA-N 2 1 367.537 3.128 20 0 FGADMP O=C([C@@H]1CCC[NH+]1C1CC1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000426986585 500341569 /nfs/dbraw/zinc/34/15/69/500341569.db2.gz MDUZQTXMWBMKLF-NRFANRHFSA-N 2 1 367.537 3.128 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104678 500343061 /nfs/dbraw/zinc/34/30/61/500343061.db2.gz MKHNCYONXXCRCG-ZWQIFLOQSA-N 2 1 353.938 3.065 20 0 FGADMP CCCN(C)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104678 500343063 /nfs/dbraw/zinc/34/30/63/500343063.db2.gz MKHNCYONXXCRCG-ZWQIFLOQSA-N 2 1 353.938 3.065 20 0 FGADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127660 500345838 /nfs/dbraw/zinc/34/58/38/500345838.db2.gz CGTQQNWQFLFDLL-NNWRFLSQSA-N 3 1 371.569 3.035 20 0 FGADMP Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423169134 500350580 /nfs/dbraw/zinc/35/05/80/500350580.db2.gz ZGBLMFAGFIERFF-QGPMSJSTSA-N 2 1 369.347 3.029 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423180200 500351890 /nfs/dbraw/zinc/35/18/90/500351890.db2.gz KHWVUOGDYVVRRU-PFDCGNQRSA-N 2 1 371.569 3.034 20 0 FGADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423180200 500351894 /nfs/dbraw/zinc/35/18/94/500351894.db2.gz KHWVUOGDYVVRRU-PFDCGNQRSA-N 2 1 371.569 3.034 20 0 FGADMP Fc1cccc(F)c1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCC1 ZINC000423191931 500353434 /nfs/dbraw/zinc/35/34/34/500353434.db2.gz UENKMSAIAFIGBE-QGTPRVQTSA-N 2 1 350.453 3.133 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127810 500356683 /nfs/dbraw/zinc/35/66/83/500356683.db2.gz HQXMBCMLYCZHAQ-TZIWHRDSSA-N 2 1 351.494 3.461 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(C)c1OCc1ccccn1 ZINC000427127810 500356686 /nfs/dbraw/zinc/35/66/86/500356686.db2.gz HQXMBCMLYCZHAQ-TZIWHRDSSA-N 2 1 351.494 3.461 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCc3c(cccc3OC)C2)cc1 ZINC000423336521 500365217 /nfs/dbraw/zinc/36/52/17/500365217.db2.gz QJMOQAKHVOIQOT-RCZSKKKRSA-N 2 1 366.505 3.296 20 0 FGADMP C[C@H](NC[C@@H]1[NH2+]CCc2ccccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000423436650 500375023 /nfs/dbraw/zinc/37/50/23/500375023.db2.gz SYIKNIVCYVIJBJ-JTSKRJEESA-N 2 1 353.510 3.165 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427280836 500377341 /nfs/dbraw/zinc/37/73/41/500377341.db2.gz MDTMRODQUVUFOT-NQIIRXRSSA-N 2 1 371.569 3.355 20 0 FGADMP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423529203 500382923 /nfs/dbraw/zinc/38/29/23/500382923.db2.gz XIIZIRLVDIHOQC-DLBZAZTESA-N 2 1 357.523 3.464 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576584545 506192613 /nfs/dbraw/zinc/19/26/13/506192613.db2.gz QEYXKSSCVXLBGP-OAQYLSRUSA-N 2 1 369.553 3.470 20 0 FGADMP O=C(CC1CCCC1)NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000576584545 506192616 /nfs/dbraw/zinc/19/26/16/506192616.db2.gz QEYXKSSCVXLBGP-OAQYLSRUSA-N 2 1 369.553 3.470 20 0 FGADMP C[C@H]([NH2+]C1CCN(Cc2ccccn2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000419696434 500390499 /nfs/dbraw/zinc/39/04/99/500390499.db2.gz VEMHSOYASDBARV-OALUTQOASA-N 2 1 356.558 3.289 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000431629382 500400642 /nfs/dbraw/zinc/40/06/42/500400642.db2.gz DHWPBYCATWYIEP-JOCHJYFZSA-N 2 1 365.521 3.066 20 0 FGADMP CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H](C)[NH3+] ZINC000423790871 500401867 /nfs/dbraw/zinc/40/18/67/500401867.db2.gz ANIIBBTYFSMSEY-ABAIWWIYSA-N 2 1 356.308 3.069 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000431673741 500406634 /nfs/dbraw/zinc/40/66/34/500406634.db2.gz PKRAHSJBTLURSH-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673741 500406637 /nfs/dbraw/zinc/40/66/37/500406637.db2.gz PKRAHSJBTLURSH-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000431673741 500406638 /nfs/dbraw/zinc/40/66/38/500406638.db2.gz PKRAHSJBTLURSH-GIVPXCGWSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673742 500406758 /nfs/dbraw/zinc/40/67/58/500406758.db2.gz PKRAHSJBTLURSH-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673742 500406761 /nfs/dbraw/zinc/40/67/61/500406761.db2.gz PKRAHSJBTLURSH-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000431673742 500406763 /nfs/dbraw/zinc/40/67/63/500406763.db2.gz PKRAHSJBTLURSH-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP O=C(CC[C@H]1CCC[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423854680 500412548 /nfs/dbraw/zinc/41/25/48/500412548.db2.gz VDRXMLLMQSXDSX-HXUWFJFHSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@H](CC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000423878447 500414950 /nfs/dbraw/zinc/41/49/50/500414950.db2.gz UMYCWVUEOMQPBS-DBXWQHBBSA-N 2 1 357.542 3.039 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1F ZINC000431743458 500418220 /nfs/dbraw/zinc/41/82/20/500418220.db2.gz WXNQLGNRVZFEKS-QGZVFWFLSA-N 2 1 358.461 3.201 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1F ZINC000431743458 500418222 /nfs/dbraw/zinc/41/82/22/500418222.db2.gz WXNQLGNRVZFEKS-QGZVFWFLSA-N 2 1 358.461 3.201 20 0 FGADMP [NH3+]C[C@@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000423969508 500426226 /nfs/dbraw/zinc/42/62/26/500426226.db2.gz VTIUWZZTKGWYAI-IEBWSBKVSA-N 2 1 358.530 3.127 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431830261 500430309 /nfs/dbraw/zinc/43/03/09/500430309.db2.gz JHKPEYRKIMGKRU-BVYCBKJFSA-N 2 1 365.521 3.316 20 0 FGADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH3+])CC2)c(C)n1CCc1ccccc1 ZINC000420275538 500432315 /nfs/dbraw/zinc/43/23/15/500432315.db2.gz QOUMSNYJFSHYEU-UHFFFAOYSA-N 2 1 353.510 3.201 20 0 FGADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000420302899 500437247 /nfs/dbraw/zinc/43/72/47/500437247.db2.gz MSJRHMPQCXJJJH-IBGZPJMESA-N 2 1 357.542 3.393 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000420309831 500439152 /nfs/dbraw/zinc/43/91/52/500439152.db2.gz FIVXDVYLNHVTOB-OLZOCXBDSA-N 2 1 361.287 3.075 20 0 FGADMP Cc1c2ccccc2sc1C(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420312432 500439317 /nfs/dbraw/zinc/43/93/17/500439317.db2.gz WYYZKMNCOWRITH-QGZVFWFLSA-N 2 1 371.550 3.357 20 0 FGADMP CCOC(=O)CCCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316472 500440053 /nfs/dbraw/zinc/44/00/53/500440053.db2.gz STZPEVLAEQSPRX-QGZVFWFLSA-N 2 1 350.528 3.426 20 0 FGADMP COc1cccc(OCC[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420320704 500441206 /nfs/dbraw/zinc/44/12/06/500441206.db2.gz YXBPIFNOBURSMO-IBGZPJMESA-N 2 1 355.482 3.113 20 0 FGADMP COc1cccc(OCC[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000420320704 500441209 /nfs/dbraw/zinc/44/12/09/500441209.db2.gz YXBPIFNOBURSMO-IBGZPJMESA-N 2 1 355.482 3.113 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(SCC)c2)[C@@H](C)C1 ZINC000427883442 500442242 /nfs/dbraw/zinc/44/22/42/500442242.db2.gz CHXGZUZOQAFSGN-WMZOPIPTSA-N 2 1 351.560 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(SCC)c2)[C@@H](C)C1 ZINC000427883442 500442244 /nfs/dbraw/zinc/44/22/44/500442244.db2.gz CHXGZUZOQAFSGN-WMZOPIPTSA-N 2 1 351.560 3.420 20 0 FGADMP Brc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328486 500442477 /nfs/dbraw/zinc/44/24/77/500442477.db2.gz ZOMPNQJZNVYGQG-WMLDXEAASA-N 2 1 353.304 3.212 20 0 FGADMP C[C@@H](c1ccccc1Br)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334886 500444011 /nfs/dbraw/zinc/44/40/11/500444011.db2.gz UNKZGKTVMZKSCA-UONOGXRCSA-N 2 1 353.304 3.197 20 0 FGADMP C[C@H](c1ccccc1Br)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420334890 500444162 /nfs/dbraw/zinc/44/41/62/500444162.db2.gz UNKZGKTVMZKSCA-ZIAGYGMSSA-N 2 1 353.304 3.197 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346472 500445308 /nfs/dbraw/zinc/44/53/08/500445308.db2.gz YJFQMIPRMANHSQ-PMACEKPBSA-N 2 1 357.542 3.135 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000420362398 500447715 /nfs/dbraw/zinc/44/77/15/500447715.db2.gz ODAMJFPZOOIBGN-DENIHFKCSA-N 2 1 367.537 3.334 20 0 FGADMP C[C@@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420364013 500448677 /nfs/dbraw/zinc/44/86/77/500448677.db2.gz OPQHCUZOWCNRCE-IAQYHMDHSA-N 2 1 358.313 3.148 20 0 FGADMP C[C@@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccc(Cl)c(Cl)c1 ZINC000420364009 500448822 /nfs/dbraw/zinc/44/88/22/500448822.db2.gz OPQHCUZOWCNRCE-ABAIWWIYSA-N 2 1 358.313 3.148 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378088 500451177 /nfs/dbraw/zinc/45/11/77/500451177.db2.gz BFLTZNKJUSAGKQ-AYBZRNKSSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378088 500451180 /nfs/dbraw/zinc/45/11/80/500451180.db2.gz BFLTZNKJUSAGKQ-AYBZRNKSSA-N 2 1 363.933 3.323 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000431983958 500451497 /nfs/dbraw/zinc/45/14/97/500451497.db2.gz WDZLTFPVJIMBKZ-HSALFYBXSA-N 2 1 366.594 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ncc(-c4ccccc4F)o3)CC2)C1 ZINC000420395893 500454872 /nfs/dbraw/zinc/45/48/72/500454872.db2.gz UUAHFZSJWNOWHE-QAPCUYQASA-N 2 1 359.445 3.199 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1(c2ccc(F)cc2F)CCCC1 ZINC000420415816 500457287 /nfs/dbraw/zinc/45/72/87/500457287.db2.gz VIDPMEKLXCKENB-PMACEKPBSA-N 2 1 360.448 3.255 20 0 FGADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(c2cccc(F)c2F)CC1 ZINC000570570941 506197387 /nfs/dbraw/zinc/19/73/87/506197387.db2.gz ULXQZECKYPCRSE-PMACEKPBSA-N 2 1 360.448 3.075 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424274247 500479786 /nfs/dbraw/zinc/47/97/86/500479786.db2.gz YMVISCSHLIRNHT-MESAYYPLSA-N 2 1 371.569 3.117 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N(Cc1ccccc1)C(C)(C)C)CC[NH2+]CC2 ZINC000424283726 500480898 /nfs/dbraw/zinc/48/08/98/500480898.db2.gz BSCNMKFEGWGSRO-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(C(F)(F)F)c1)CC[NH2+]CC2 ZINC000424285176 500481251 /nfs/dbraw/zinc/48/12/51/500481251.db2.gz FKHUMTLPDRJNIS-ZDUSSCGKSA-N 2 1 355.404 3.108 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424421538 500501242 /nfs/dbraw/zinc/50/12/42/500501242.db2.gz YFGOJSOOYGQWRG-PZJWPPBQSA-N 2 1 364.493 3.144 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000424427694 500503122 /nfs/dbraw/zinc/50/31/22/500503122.db2.gz QKHIZWHTQHSCJJ-OXJNMPFZSA-N 2 1 352.482 3.238 20 0 FGADMP Cc1cc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H](C)C2)cc(C)n1 ZINC000420861649 500517304 /nfs/dbraw/zinc/51/73/04/500517304.db2.gz OWPBJPWXYHVPMB-KRWDZBQOSA-N 2 1 366.509 3.362 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O ZINC000428573632 500528630 /nfs/dbraw/zinc/52/86/30/500528630.db2.gz PFSZBEDRVSDMLD-SFTDATJTSA-N 2 1 357.473 3.150 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1COc2ccccc21 ZINC000420912901 500528869 /nfs/dbraw/zinc/52/88/69/500528869.db2.gz AEYAOWADPKKBLP-UTKZUKDTSA-N 2 1 352.478 3.173 20 0 FGADMP c1ccc2c(c1)CO[C@@]21CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927524 500532303 /nfs/dbraw/zinc/53/23/03/500532303.db2.gz ZYEJAMXTDFNHCP-HSZRJFAPSA-N 2 1 364.489 3.150 20 0 FGADMP c1ccc2c(c1)CO[C@@]21CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420927524 500532306 /nfs/dbraw/zinc/53/23/06/500532306.db2.gz ZYEJAMXTDFNHCP-HSZRJFAPSA-N 2 1 364.489 3.150 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420941610 500536753 /nfs/dbraw/zinc/53/67/53/500536753.db2.gz TVWYWTINUFOZKT-VIZSFHNOSA-N 2 1 371.569 3.356 20 0 FGADMP COc1ccc2c(c1)CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420955533 500540511 /nfs/dbraw/zinc/54/05/11/500540511.db2.gz XUTBJRCXNJBSFA-UHFFFAOYSA-N 2 1 366.505 3.128 20 0 FGADMP COc1ccc2c(c1)CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420955533 500540512 /nfs/dbraw/zinc/54/05/12/500540512.db2.gz XUTBJRCXNJBSFA-UHFFFAOYSA-N 2 1 366.505 3.128 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000420984869 500548428 /nfs/dbraw/zinc/54/84/28/500548428.db2.gz UYUZTEGFIMYTRS-PZJWPPBQSA-N 2 1 351.579 3.074 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC[C@@H](F)C1 ZINC000424716199 500549163 /nfs/dbraw/zinc/54/91/63/500549163.db2.gz VEOGMVVQVYZROV-RTBURBONSA-N 2 1 367.553 3.169 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000428742729 500551885 /nfs/dbraw/zinc/55/18/85/500551885.db2.gz UZHACXDRARCWLK-KRWDZBQOSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)C)C2)CC1 ZINC000432833226 500574385 /nfs/dbraw/zinc/57/43/85/500574385.db2.gz VPZJWONVLYTUJV-LJQANCHMSA-N 2 1 357.542 3.054 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000447346659 500594467 /nfs/dbraw/zinc/59/44/67/500594467.db2.gz XRVXXAPAMKHOKK-IBGZPJMESA-N 2 1 358.530 3.307 20 0 FGADMP CC(C)CC1(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000442677425 500610312 /nfs/dbraw/zinc/61/03/12/500610312.db2.gz BUXIENKRDABYKZ-UHFFFAOYSA-N 2 1 363.590 3.467 20 0 FGADMP CC(C)N(C)C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000433049488 500613539 /nfs/dbraw/zinc/61/35/39/500613539.db2.gz VFWDDZZEIRIVPT-IBGZPJMESA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764050 500622335 /nfs/dbraw/zinc/62/23/35/500622335.db2.gz DWVFYQSSTDUKQV-NEPJUHHUSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000442764050 500622339 /nfs/dbraw/zinc/62/23/39/500622339.db2.gz DWVFYQSSTDUKQV-NEPJUHHUSA-N 2 1 350.260 3.273 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000442783606 500625460 /nfs/dbraw/zinc/62/54/60/500625460.db2.gz QFOSKTVCFZUPQG-JXXFODFXSA-N 2 1 357.523 3.013 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@]12CCCO2 ZINC000447597679 500631397 /nfs/dbraw/zinc/63/13/97/500631397.db2.gz TUQXBJWHEPMPBW-OGXDUAGGSA-N 2 1 370.537 3.498 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCCO2 ZINC000442874879 500637869 /nfs/dbraw/zinc/63/78/69/500637869.db2.gz MVRZVKIENYWOAG-GOSISDBHSA-N 2 1 365.949 3.478 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(-c2ccncc2)cc1 ZINC000442888367 500641677 /nfs/dbraw/zinc/64/16/77/500641677.db2.gz GGAHWQDRDBDRBD-GOSISDBHSA-N 2 1 352.526 3.425 20 0 FGADMP Cc1ccc(NC(=O)Cc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1 ZINC000443075926 500675257 /nfs/dbraw/zinc/67/52/57/500675257.db2.gz RWNXBAXXSCMZLR-INIZCTEOSA-N 2 1 372.538 3.194 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCCC[NH+]1CCCCC1 ZINC000447964190 500697785 /nfs/dbraw/zinc/69/77/85/500697785.db2.gz PKPOITQJKZZGEW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)C[N@H+]1C1CC1 ZINC000443275580 500703019 /nfs/dbraw/zinc/70/30/19/500703019.db2.gz PVJFGJMJYSSFJJ-ZDXOVATRSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275580 500703022 /nfs/dbraw/zinc/70/30/22/500703022.db2.gz PVJFGJMJYSSFJJ-ZDXOVATRSA-N 2 1 367.537 3.030 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)C[NH+]1C1CC1 ZINC000443275580 500703025 /nfs/dbraw/zinc/70/30/25/500703025.db2.gz PVJFGJMJYSSFJJ-ZDXOVATRSA-N 2 1 367.537 3.030 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000437864113 500708806 /nfs/dbraw/zinc/70/88/06/500708806.db2.gz IGGOZGWSUVTAQR-UXHICEINSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000437864113 500708808 /nfs/dbraw/zinc/70/88/08/500708808.db2.gz IGGOZGWSUVTAQR-UXHICEINSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000437864113 500708810 /nfs/dbraw/zinc/70/88/10/500708810.db2.gz IGGOZGWSUVTAQR-UXHICEINSA-N 2 1 362.562 3.100 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000443379929 500716590 /nfs/dbraw/zinc/71/65/90/500716590.db2.gz NMYKKQPAXWFCTL-IBGZPJMESA-N 2 1 360.546 3.423 20 0 FGADMP Cn1c(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]c2cccc(F)c21 ZINC000443511249 500732292 /nfs/dbraw/zinc/73/22/92/500732292.db2.gz QDKPGYAWIASCTJ-UHFFFAOYSA-N 2 1 368.456 3.221 20 0 FGADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000443578019 500740445 /nfs/dbraw/zinc/74/04/45/500740445.db2.gz FIHWBNMYXGPLTF-UHFFFAOYSA-N 2 1 373.463 3.482 20 0 FGADMP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)Nc1cc(F)cc(F)c1 ZINC000443599107 500743860 /nfs/dbraw/zinc/74/38/60/500743860.db2.gz CWCRXRRVJPRMOO-UHFFFAOYSA-N 2 1 365.468 3.491 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000570695609 506214166 /nfs/dbraw/zinc/21/41/66/506214166.db2.gz YQJVZDFTEBXYBR-LZWOXQAQSA-N 2 1 360.889 3.129 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N1CC[C@H](c2nccn2C)C1 ZINC000570695609 506214167 /nfs/dbraw/zinc/21/41/67/506214167.db2.gz YQJVZDFTEBXYBR-LZWOXQAQSA-N 2 1 360.889 3.129 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159872 500747824 /nfs/dbraw/zinc/74/78/24/500747824.db2.gz UMDBZKIEPNYZOT-QUCCMNQESA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438159872 500747827 /nfs/dbraw/zinc/74/78/27/500747827.db2.gz UMDBZKIEPNYZOT-QUCCMNQESA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438159872 500747831 /nfs/dbraw/zinc/74/78/31/500747831.db2.gz UMDBZKIEPNYZOT-QUCCMNQESA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H](C)C1 ZINC000443636332 500748003 /nfs/dbraw/zinc/74/80/03/500748003.db2.gz AYQCVKKONGTELB-RBUKOAKNSA-N 2 1 357.542 3.267 20 0 FGADMP CC(C)[C@H]1CC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482296 500790948 /nfs/dbraw/zinc/79/09/48/500790948.db2.gz KSTXEWDGBMMXJK-ICSRJNTNSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCc2ccccc2C1 ZINC000438559659 500801779 /nfs/dbraw/zinc/80/17/79/500801779.db2.gz RVSHGZZPMSCDKL-OAQYLSRUSA-N 2 1 369.553 3.347 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000438559659 500801780 /nfs/dbraw/zinc/80/17/80/500801780.db2.gz RVSHGZZPMSCDKL-OAQYLSRUSA-N 2 1 369.553 3.347 20 0 FGADMP CC(C)(CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCc2ccccc2C1 ZINC000438559659 500801782 /nfs/dbraw/zinc/80/17/82/500801782.db2.gz RVSHGZZPMSCDKL-OAQYLSRUSA-N 2 1 369.553 3.347 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccccc1 ZINC000434348020 500829528 /nfs/dbraw/zinc/82/95/28/500829528.db2.gz CXVJSNWVLCKYJQ-XLIONFOSSA-N 2 1 372.557 3.432 20 0 FGADMP CC1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000434440947 500843390 /nfs/dbraw/zinc/84/33/90/500843390.db2.gz FAGZYMMFHACGHX-NRFANRHFSA-N 2 1 369.553 3.422 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449080269 500919257 /nfs/dbraw/zinc/91/92/57/500919257.db2.gz UTABYQIQGJCMEE-UHFFFAOYSA-N 2 1 351.579 3.264 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000439789877 500939571 /nfs/dbraw/zinc/93/95/71/500939571.db2.gz RWNJGMSJDZMMRA-LMNJBCLMSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789877 500939575 /nfs/dbraw/zinc/93/95/75/500939575.db2.gz RWNJGMSJDZMMRA-LMNJBCLMSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789877 500939577 /nfs/dbraw/zinc/93/95/77/500939577.db2.gz RWNJGMSJDZMMRA-LMNJBCLMSA-N 2 1 355.526 3.173 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449168325 500939714 /nfs/dbraw/zinc/93/97/14/500939714.db2.gz MASZPDLEDDPKSV-BBWFWOEESA-N 2 1 351.922 3.226 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449168325 500939716 /nfs/dbraw/zinc/93/97/16/500939716.db2.gz MASZPDLEDDPKSV-BBWFWOEESA-N 2 1 351.922 3.226 20 0 FGADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373944 500962009 /nfs/dbraw/zinc/96/20/09/500962009.db2.gz OLKKONUPICHZOI-ZFWWWQNUSA-N 2 1 352.404 3.119 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375252 500962162 /nfs/dbraw/zinc/96/21/62/500962162.db2.gz ULLIHKCOSMWKEF-QFBILLFUSA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375252 500962164 /nfs/dbraw/zinc/96/21/64/500962164.db2.gz ULLIHKCOSMWKEF-QFBILLFUSA-N 2 1 370.493 3.452 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)c2)cc1 ZINC000435395072 500967348 /nfs/dbraw/zinc/96/73/48/500967348.db2.gz QTMGQIWTLVXONJ-MGPUTAFESA-N 2 1 353.466 3.117 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)c2)cc1 ZINC000435395072 500967352 /nfs/dbraw/zinc/96/73/52/500967352.db2.gz QTMGQIWTLVXONJ-MGPUTAFESA-N 2 1 353.466 3.117 20 0 FGADMP Cc1ncsc1C[N@@H+](C[C@@H](C)CC1CCOCC1)C[C@@H]1CC[NH2+]C1 ZINC000435449754 500980116 /nfs/dbraw/zinc/98/01/16/500980116.db2.gz VTOKXHKOJGXVFU-MAUKXSAKSA-N 2 1 351.560 3.316 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435626795 501004674 /nfs/dbraw/zinc/00/46/74/501004674.db2.gz LKUHSDOJTOECGT-HKUYNNGSSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](C)c1cccc2ccccc21)[C@H]1CCC[NH2+]CC1 ZINC000435626795 501004676 /nfs/dbraw/zinc/00/46/76/501004676.db2.gz LKUHSDOJTOECGT-HKUYNNGSSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435631071 501005290 /nfs/dbraw/zinc/00/52/90/501005290.db2.gz ZSTQNFLJSVCZAK-UTKZUKDTSA-N 2 1 353.510 3.481 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](C)c1ccc2ccccc2c1)[C@H]1CCC[NH2+]CC1 ZINC000435631071 501005291 /nfs/dbraw/zinc/00/52/91/501005291.db2.gz ZSTQNFLJSVCZAK-UTKZUKDTSA-N 2 1 353.510 3.481 20 0 FGADMP FC(F)(F)COCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687774 501012007 /nfs/dbraw/zinc/01/20/07/501012007.db2.gz ISWBZYUTADZKEU-ZDUSSCGKSA-N 2 1 363.449 3.056 20 0 FGADMP FC(F)(F)COCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435687774 501012010 /nfs/dbraw/zinc/01/20/10/501012010.db2.gz ISWBZYUTADZKEU-ZDUSSCGKSA-N 2 1 363.449 3.056 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](OC)C(C)(C)C2)CC1 ZINC000449498058 501018282 /nfs/dbraw/zinc/01/82/82/501018282.db2.gz JQRKWWMZHMUJOD-NRFANRHFSA-N 2 1 359.558 3.466 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511031 501021329 /nfs/dbraw/zinc/02/13/29/501021329.db2.gz YECRFBAOIRKEDC-IFMALSPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511031 501021331 /nfs/dbraw/zinc/02/13/31/501021331.db2.gz YECRFBAOIRKEDC-IFMALSPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511031 501021332 /nfs/dbraw/zinc/02/13/32/501021332.db2.gz YECRFBAOIRKEDC-IFMALSPDSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000449511031 501021333 /nfs/dbraw/zinc/02/13/33/501021333.db2.gz YECRFBAOIRKEDC-IFMALSPDSA-N 2 1 371.569 3.446 20 0 FGADMP COc1ccc(Cn2nc(C)c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2C)cc1 ZINC000449560175 501033935 /nfs/dbraw/zinc/03/39/35/501033935.db2.gz HERCNFTXLHABFW-IHWFROFDSA-N 2 1 368.525 3.272 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2C)cc1 ZINC000449560175 501033937 /nfs/dbraw/zinc/03/39/37/501033937.db2.gz HERCNFTXLHABFW-IHWFROFDSA-N 2 1 368.525 3.272 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2C)cc1 ZINC000449560175 501033940 /nfs/dbraw/zinc/03/39/40/501033940.db2.gz HERCNFTXLHABFW-IHWFROFDSA-N 2 1 368.525 3.272 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000449578846 501036991 /nfs/dbraw/zinc/03/69/91/501036991.db2.gz SCJVJHLGNYRXJT-IPJJNNNSSA-N 2 1 371.569 3.367 20 0 FGADMP COC(=O)CC1(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791243 501048555 /nfs/dbraw/zinc/04/85/55/501048555.db2.gz NIZNYKHZKLDPLD-UXHICEINSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791243 501048556 /nfs/dbraw/zinc/04/85/56/501048556.db2.gz NIZNYKHZKLDPLD-UXHICEINSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000440791243 501048558 /nfs/dbraw/zinc/04/85/58/501048558.db2.gz NIZNYKHZKLDPLD-UXHICEINSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000440791243 501048560 /nfs/dbraw/zinc/04/85/60/501048560.db2.gz NIZNYKHZKLDPLD-UXHICEINSA-N 2 1 356.510 3.316 20 0 FGADMP FC(F)(F)CN1C[C@@H](c2ccccc2)[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000449756223 501077552 /nfs/dbraw/zinc/07/75/52/501077552.db2.gz OYVXRZBDSKVLSI-AKHDSKFASA-N 2 1 367.459 3.233 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450390370 501108836 /nfs/dbraw/zinc/10/88/36/501108836.db2.gz KNGRKSWEZAPHTR-GOSISDBHSA-N 2 1 371.516 3.078 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3Cc4ccccc4N(C)C3)sc2C1 ZINC000436378205 501117319 /nfs/dbraw/zinc/11/73/19/501117319.db2.gz QZSQFVRROJNXAB-INIZCTEOSA-N 2 1 370.566 3.308 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3Cc4ccccc4N(C)C3)sc2C1 ZINC000436378205 501117324 /nfs/dbraw/zinc/11/73/24/501117324.db2.gz QZSQFVRROJNXAB-INIZCTEOSA-N 2 1 370.566 3.308 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000446577155 501136233 /nfs/dbraw/zinc/13/62/33/501136233.db2.gz KDZUYZDDMQHWPH-UHFFFAOYSA-N 2 1 366.509 3.140 20 0 FGADMP CC(=O)Nc1ccc(C[NH+]2CCC(N[C@H](C)c3cncc(F)c3)CC2)cc1 ZINC000451230538 501253655 /nfs/dbraw/zinc/25/36/55/501253655.db2.gz STQYOSOPFXMQDL-OAHLLOKOSA-N 2 1 370.472 3.494 20 0 FGADMP CCC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCC1 ZINC000453056204 501259823 /nfs/dbraw/zinc/25/98/23/501259823.db2.gz FCJKSFALVFTQKI-NRFANRHFSA-N 2 1 373.541 3.406 20 0 FGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090399 501267121 /nfs/dbraw/zinc/26/71/21/501267121.db2.gz OSJVQOUIMICCRW-SJORKVTESA-N 2 1 352.544 3.134 20 0 FGADMP COC1([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCOCC1 ZINC000453090399 501267122 /nfs/dbraw/zinc/26/71/22/501267122.db2.gz OSJVQOUIMICCRW-SJORKVTESA-N 2 1 352.544 3.134 20 0 FGADMP O=C1CCCN1CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453098663 501268399 /nfs/dbraw/zinc/26/83/99/501268399.db2.gz VOAPIFZKWREIID-HBMCJLEFSA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)[C@@H](C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C)N1CC[NH+](C)CC1 ZINC000453100206 501268894 /nfs/dbraw/zinc/26/88/94/501268894.db2.gz YGGUELSLFPPKIV-AZUAARDMSA-N 2 1 369.557 3.010 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)n4ccnc43)CC2)cs1 ZINC000453104783 501269749 /nfs/dbraw/zinc/26/97/49/501269749.db2.gz DMTABVTVNFCNKF-RHSMWYFYSA-N 2 1 359.543 3.410 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000457646138 501276242 /nfs/dbraw/zinc/27/62/42/501276242.db2.gz JNDWFCOKFKMOCX-HXUWFJFHSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000457646138 501276245 /nfs/dbraw/zinc/27/62/45/501276245.db2.gz JNDWFCOKFKMOCX-HXUWFJFHSA-N 2 1 360.546 3.151 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457646138 501276247 /nfs/dbraw/zinc/27/62/47/501276247.db2.gz JNDWFCOKFKMOCX-HXUWFJFHSA-N 2 1 360.546 3.151 20 0 FGADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)n1 ZINC000453156873 501280847 /nfs/dbraw/zinc/28/08/47/501280847.db2.gz HXOUHMFYFVGOEM-ZCNNSNEGSA-N 2 1 354.498 3.343 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000453196995 501289336 /nfs/dbraw/zinc/28/93/36/501289336.db2.gz MPKROEZHZMFDEU-AVRDEDQJSA-N 2 1 353.510 3.149 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1=O ZINC000453208533 501291691 /nfs/dbraw/zinc/29/16/91/501291691.db2.gz BYLUZACOOSBVIP-YPAWHYETSA-N 2 1 365.521 3.401 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366458 501321314 /nfs/dbraw/zinc/32/13/14/501321314.db2.gz SZJCSLGGJYPKGT-QIIPPGSGSA-N 2 1 360.452 3.073 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453366458 501321316 /nfs/dbraw/zinc/32/13/16/501321316.db2.gz SZJCSLGGJYPKGT-QIIPPGSGSA-N 2 1 360.452 3.073 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000453448750 501334417 /nfs/dbraw/zinc/33/44/17/501334417.db2.gz QCVICRLKVVLWTD-JQVVWYNYSA-N 2 1 371.569 3.367 20 0 FGADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451964979 501409425 /nfs/dbraw/zinc/40/94/25/501409425.db2.gz CIDWJKACMDGAIG-FQEVSTJZSA-N 2 1 361.505 3.260 20 0 FGADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451964979 501409428 /nfs/dbraw/zinc/40/94/28/501409428.db2.gz CIDWJKACMDGAIG-FQEVSTJZSA-N 2 1 361.505 3.260 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000458379600 501431749 /nfs/dbraw/zinc/43/17/49/501431749.db2.gz SUSSBXZQQYVMAZ-PKOBYXMFSA-N 2 1 360.546 3.240 20 0 FGADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000458396840 501435569 /nfs/dbraw/zinc/43/55/69/501435569.db2.gz DBLUEYFVLXKHLV-WIYYLYMNSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000456317120 501496274 /nfs/dbraw/zinc/49/62/74/501496274.db2.gz GFHIXBCRDZIBHF-AMZGXZFVSA-N 2 1 369.553 3.071 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454363420 501523717 /nfs/dbraw/zinc/52/37/17/501523717.db2.gz LNHRGHVPSVZHRD-CALCHBBNSA-N 2 1 364.578 3.059 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1)[NH+](C)C ZINC000458763180 501525634 /nfs/dbraw/zinc/52/56/34/501525634.db2.gz IIQOAELESJXOOA-CDXJDZJCSA-N 2 1 372.557 3.112 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@@H]1C ZINC000458933509 501561861 /nfs/dbraw/zinc/56/18/61/501561861.db2.gz IRAAEPDNRJEFHQ-GBESFXJTSA-N 2 1 352.567 3.011 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000458985217 501571367 /nfs/dbraw/zinc/57/13/67/501571367.db2.gz XAKPEKNSRVKKNM-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459263205 501621498 /nfs/dbraw/zinc/62/14/98/501621498.db2.gz MCIVCLWCSRNVNY-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459271212 501622549 /nfs/dbraw/zinc/62/25/49/501622549.db2.gz VWYGNNJCALUANY-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459271212 501622551 /nfs/dbraw/zinc/62/25/51/501622551.db2.gz VWYGNNJCALUANY-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000459271212 501622553 /nfs/dbraw/zinc/62/25/53/501622553.db2.gz VWYGNNJCALUANY-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788490 501629858 /nfs/dbraw/zinc/62/98/58/501629858.db2.gz BCBJHIGGCRQWDQ-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP Cc1cc(C)c(CNC(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000454866384 501645850 /nfs/dbraw/zinc/64/58/50/501645850.db2.gz FDCNPMBHCQLLRB-LJQANCHMSA-N 2 1 352.482 3.020 20 0 FGADMP Cn1c[nH+]cc1CCN1CCc2c(Br)ccc(Cl)c2C1 ZINC000459400946 501646987 /nfs/dbraw/zinc/64/69/87/501646987.db2.gz LJZDMWXXCFKBDJ-UHFFFAOYSA-N 2 1 354.679 3.437 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cc(=O)[nH]c(C2CC2)n1 ZINC000459410962 501648899 /nfs/dbraw/zinc/64/88/99/501648899.db2.gz PMGARKDNNXRYJM-HNAYVOBHSA-N 2 1 352.482 3.060 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1)CC1CC1 ZINC000459471924 501659479 /nfs/dbraw/zinc/65/94/79/501659479.db2.gz OAYCLYXRPSJAMG-UHFFFAOYSA-N 2 1 358.530 3.394 20 0 FGADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccncc1 ZINC000459723809 501704546 /nfs/dbraw/zinc/70/45/46/501704546.db2.gz CXDUUZBHPUVHAE-SFHVURJKSA-N 2 1 369.509 3.491 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)cnc12 ZINC000459775980 501712807 /nfs/dbraw/zinc/71/28/07/501712807.db2.gz JTIRNBWZJVXCGW-AWEZNQCLSA-N 2 1 365.319 3.227 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000457518246 501715256 /nfs/dbraw/zinc/71/52/56/501715256.db2.gz DJZZYQBYUSNOAJ-GOSISDBHSA-N 2 1 372.557 3.154 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CCCS(=O)(=O)c2cccc(C)c2)CC1 ZINC000463493773 501741263 /nfs/dbraw/zinc/74/12/63/501741263.db2.gz YNEMJMOQQKLYBT-UHFFFAOYSA-N 2 1 366.571 3.213 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000460154927 501743304 /nfs/dbraw/zinc/74/33/04/501743304.db2.gz LRXYCNREEHCASG-WMZOPIPTSA-N 2 1 364.534 3.145 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000460164909 501745812 /nfs/dbraw/zinc/74/58/12/501745812.db2.gz NIZDBRGURMHHJW-GOSISDBHSA-N 2 1 363.550 3.125 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000470663523 501758464 /nfs/dbraw/zinc/75/84/64/501758464.db2.gz PSVZSEVGIHISJQ-IBGZPJMESA-N 2 1 363.521 3.228 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(I)c(C)c2)[C@H](C)C1 ZINC000467373661 501779679 /nfs/dbraw/zinc/77/96/79/501779679.db2.gz OOSIDGJZQXEOPN-CZUORRHYSA-N 2 1 372.294 3.420 20 0 FGADMP COCC[NH+]1CCC(Nc2ccc(C[NH+](C)C)c(Br)c2)CC1 ZINC000467373961 501779946 /nfs/dbraw/zinc/77/99/46/501779946.db2.gz ROQSVDFSLOGVHH-UHFFFAOYSA-N 2 1 370.335 3.033 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000481498262 501792922 /nfs/dbraw/zinc/79/29/22/501792922.db2.gz RZTDBLXWRHUFNS-FCHUYYIVSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1CCc2ccccc2C1 ZINC000481498262 501792927 /nfs/dbraw/zinc/79/29/27/501792927.db2.gz RZTDBLXWRHUFNS-FCHUYYIVSA-N 2 1 371.569 3.450 20 0 FGADMP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)[N@H+]1CCc2ccccc2C1 ZINC000481498262 501792932 /nfs/dbraw/zinc/79/29/32/501792932.db2.gz RZTDBLXWRHUFNS-FCHUYYIVSA-N 2 1 371.569 3.450 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1Cc1ccccc1)c1ccccc1 ZINC000460373372 501807799 /nfs/dbraw/zinc/80/77/99/501807799.db2.gz DUXVVOJYNNTIDW-FCHUYYIVSA-N 2 1 365.521 3.113 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000477860061 501811625 /nfs/dbraw/zinc/81/16/25/501811625.db2.gz LYYFUCZJKPAHHX-XJKSGUPXSA-N 2 1 359.495 3.027 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)c2)n1 ZINC000477860053 501811767 /nfs/dbraw/zinc/81/17/67/501811767.db2.gz LYYFUCZJKPAHHX-BBRMVZONSA-N 2 1 359.495 3.027 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000485426594 501818044 /nfs/dbraw/zinc/81/80/44/501818044.db2.gz QFRZSHJWMKSJLA-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000485426594 501818046 /nfs/dbraw/zinc/81/80/46/501818046.db2.gz QFRZSHJWMKSJLA-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000485426594 501818047 /nfs/dbraw/zinc/81/80/47/501818047.db2.gz QFRZSHJWMKSJLA-GOSISDBHSA-N 2 1 359.514 3.078 20 0 FGADMP Clc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400578 501822278 /nfs/dbraw/zinc/82/22/78/501822278.db2.gz XEUTXXMRZLAJAV-BEFAXECRSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400578 501822280 /nfs/dbraw/zinc/82/22/80/501822280.db2.gz XEUTXXMRZLAJAV-BEFAXECRSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400578 501822284 /nfs/dbraw/zinc/82/22/84/501822284.db2.gz XEUTXXMRZLAJAV-BEFAXECRSA-N 2 1 371.916 3.369 20 0 FGADMP Clc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c(-n2cncn2)c1 ZINC000474400578 501822286 /nfs/dbraw/zinc/82/22/86/501822286.db2.gz XEUTXXMRZLAJAV-BEFAXECRSA-N 2 1 371.916 3.369 20 0 FGADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485472739 501830789 /nfs/dbraw/zinc/83/07/89/501830789.db2.gz XDVXTOFFWKBHFN-LJQANCHMSA-N 2 1 357.542 3.279 20 0 FGADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479899 501833162 /nfs/dbraw/zinc/83/31/62/501833162.db2.gz WZZYCIHVWHPIKD-RBUKOAKNSA-N 2 1 357.542 3.278 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481124 501835004 /nfs/dbraw/zinc/83/50/04/501835004.db2.gz RJGHQIOATYVVMK-IRFCIJBXSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481124 501835010 /nfs/dbraw/zinc/83/50/10/501835010.db2.gz RJGHQIOATYVVMK-IRFCIJBXSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000460481124 501835015 /nfs/dbraw/zinc/83/50/15/501835015.db2.gz RJGHQIOATYVVMK-IRFCIJBXSA-N 2 1 374.573 3.459 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000477961754 501841118 /nfs/dbraw/zinc/84/11/18/501841118.db2.gz FMPKSZADHPFTFE-CBNMVNINSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@@H](CCc1ccc(I)cc1)[NH2+]C1CC[NH+](C)CC1 ZINC000474471723 501847189 /nfs/dbraw/zinc/84/71/89/501847189.db2.gz NLVCZHWKGRCSRP-ZDUSSCGKSA-N 2 1 372.294 3.296 20 0 FGADMP CC(C)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000474480091 501850063 /nfs/dbraw/zinc/85/00/63/501850063.db2.gz DGERLWHQOVZIBF-RTWAWAEBSA-N 2 1 357.542 3.379 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647449 501885273 /nfs/dbraw/zinc/88/52/73/501885273.db2.gz HULRIERMGNHXIF-KSZLIROESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647449 501885277 /nfs/dbraw/zinc/88/52/77/501885277.db2.gz HULRIERMGNHXIF-KSZLIROESA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647449 501885282 /nfs/dbraw/zinc/88/52/82/501885282.db2.gz HULRIERMGNHXIF-KSZLIROESA-N 2 1 352.567 3.059 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000481952352 501926956 /nfs/dbraw/zinc/92/69/56/501926956.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952352 501926959 /nfs/dbraw/zinc/92/69/59/501926959.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 2 1 361.574 3.324 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000481952352 501926963 /nfs/dbraw/zinc/92/69/63/501926963.db2.gz ULHJETRTXULICO-BVSLBCMMSA-N 2 1 361.574 3.324 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352763 501964169 /nfs/dbraw/zinc/96/41/69/501964169.db2.gz CYOXGCKCMLTPAC-SFTDATJTSA-N 2 1 357.542 3.450 20 0 FGADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824629 501964336 /nfs/dbraw/zinc/96/43/36/501964336.db2.gz HTCQOGOIGZHJPC-UWVAXJGDSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC000474824629 501964340 /nfs/dbraw/zinc/96/43/40/501964340.db2.gz HTCQOGOIGZHJPC-UWVAXJGDSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474824629 501964345 /nfs/dbraw/zinc/96/43/45/501964345.db2.gz HTCQOGOIGZHJPC-UWVAXJGDSA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474824629 501964351 /nfs/dbraw/zinc/96/43/51/501964351.db2.gz HTCQOGOIGZHJPC-UWVAXJGDSA-N 2 1 361.505 3.027 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)Nc3cccc(Cl)c3)CC2)CC1 ZINC000468126591 501965282 /nfs/dbraw/zinc/96/52/82/501965282.db2.gz LALZDZSTGVLVMC-UHFFFAOYSA-N 2 1 364.921 3.364 20 0 FGADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)[NH+]1CCCCCC1 ZINC000468152530 501975303 /nfs/dbraw/zinc/97/53/03/501975303.db2.gz JKQTXMBKMJPISO-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000482122841 501981321 /nfs/dbraw/zinc/98/13/21/501981321.db2.gz GCCIDCQNBUMXJX-XLIONFOSSA-N 2 1 374.529 3.074 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](c3ccccc3)[C@H]3CCCC[C@H]32)CC1 ZINC000485910715 501985046 /nfs/dbraw/zinc/98/50/46/501985046.db2.gz XRQWYCGKNDKLIK-YPAWHYETSA-N 2 1 369.553 3.245 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000482140140 501986605 /nfs/dbraw/zinc/98/66/05/501986605.db2.gz QUQVTOOAQSLLFW-RTWAWAEBSA-N 2 1 357.542 3.062 20 0 FGADMP CCOC(=O)c1coc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000474937872 501998450 /nfs/dbraw/zinc/99/84/50/501998450.db2.gz APECKQSVQIYCLG-UHFFFAOYSA-N 2 1 357.454 3.200 20 0 FGADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000478513528 502005620 /nfs/dbraw/zinc/00/56/20/502005620.db2.gz BZRBJHNWDPWXKA-PZJWPPBQSA-N 2 1 366.509 3.082 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474995606 502015755 /nfs/dbraw/zinc/01/57/55/502015755.db2.gz ZQVHHOALRSWELN-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474995606 502015760 /nfs/dbraw/zinc/01/57/60/502015760.db2.gz ZQVHHOALRSWELN-WOJBJXKFSA-N 2 1 361.505 3.123 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000468305986 502020860 /nfs/dbraw/zinc/02/08/60/502020860.db2.gz CISYYZDSUBQSET-UHFFFAOYSA-N 2 1 367.537 3.393 20 0 FGADMP CN(C(=O)NCC(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475020052 502023851 /nfs/dbraw/zinc/02/38/51/502023851.db2.gz XFQRGFCIZWBOOD-HXUWFJFHSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+](CCNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000475020608 502023921 /nfs/dbraw/zinc/02/39/21/502023921.db2.gz YTLKFDQJZZKLLR-HXUWFJFHSA-N 2 1 360.546 3.021 20 0 FGADMP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H]3CCCN(CC(C)(C)C)C3=O)C2)[nH+]1 ZINC000461394893 502091937 /nfs/dbraw/zinc/09/19/37/502091937.db2.gz QMWWXYOCOMRTDM-QZTJIDSGSA-N 2 1 358.530 3.161 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000478808054 502092735 /nfs/dbraw/zinc/09/27/35/502092735.db2.gz UFGCBYUNXXYJHE-WCRBZPEASA-N 2 1 372.557 3.293 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000478808054 502092740 /nfs/dbraw/zinc/09/27/40/502092740.db2.gz UFGCBYUNXXYJHE-WCRBZPEASA-N 2 1 372.557 3.293 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000478808054 502092744 /nfs/dbraw/zinc/09/27/44/502092744.db2.gz UFGCBYUNXXYJHE-WCRBZPEASA-N 2 1 372.557 3.293 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000464810743 502101034 /nfs/dbraw/zinc/10/10/34/502101034.db2.gz KYZOGDODFZXKNY-UYAOXDASSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000464810743 502101041 /nfs/dbraw/zinc/10/10/41/502101041.db2.gz KYZOGDODFZXKNY-UYAOXDASSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)CC[C@H]2C)CC1 ZINC000464810743 502101043 /nfs/dbraw/zinc/10/10/43/502101043.db2.gz KYZOGDODFZXKNY-UYAOXDASSA-N 2 1 357.542 3.150 20 0 FGADMP CCSc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000486269979 502106227 /nfs/dbraw/zinc/10/62/27/502106227.db2.gz LFBOANMYOMFCHV-SFHVURJKSA-N 2 1 363.571 3.287 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000482541858 502106587 /nfs/dbraw/zinc/10/65/87/502106587.db2.gz HHTAAFATVPADDF-WBMJQRKESA-N 2 1 370.324 3.158 20 0 FGADMP COc1ccc2oc(C[NH2+]C[C@@]3(O)CCN(Cc4ccccc4)C3)cc2c1 ZINC000482611110 502126447 /nfs/dbraw/zinc/12/64/47/502126447.db2.gz ZTDKQZUYJFXDAZ-QFIPXVFZSA-N 2 1 366.461 3.168 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000478967978 502132527 /nfs/dbraw/zinc/13/25/27/502132527.db2.gz WMHULIMFJLPROL-VDZJLULYSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000478967978 502132529 /nfs/dbraw/zinc/13/25/29/502132529.db2.gz WMHULIMFJLPROL-VDZJLULYSA-N 2 1 363.933 3.199 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000475334813 502139242 /nfs/dbraw/zinc/13/92/42/502139242.db2.gz VJJNFYOJWBBZBE-SZPZYZBQSA-N 2 1 373.504 3.140 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000482946697 502224609 /nfs/dbraw/zinc/22/46/09/502224609.db2.gz LMOQNGCNTUQGNL-FQEVSTJZSA-N 2 1 357.542 3.279 20 0 FGADMP CC(C)(CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000482966917 502230476 /nfs/dbraw/zinc/23/04/76/502230476.db2.gz WTSFKLNNEQZTGH-HXUWFJFHSA-N 2 1 357.542 3.137 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000465397650 502250782 /nfs/dbraw/zinc/25/07/82/502250782.db2.gz SVJSPTMLSWNWSP-UFYCRDLUSA-N 2 1 366.594 3.164 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(c3cc(C)ccc3OC)CCOCC2)[C@@H](C)C1 ZINC000469020299 502266572 /nfs/dbraw/zinc/26/65/72/502266572.db2.gz MTJLJLRNAQLIEX-AZUAARDMSA-N 2 1 360.542 3.372 20 0 FGADMP C[C@@H]1C[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000475725137 502266748 /nfs/dbraw/zinc/26/67/48/502266748.db2.gz XYMSWCQLKGLSGI-GUDVDZBRSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475727571 502267640 /nfs/dbraw/zinc/26/76/40/502267640.db2.gz FKYHVRFWHBNEAI-REWPJTCUSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475727571 502267644 /nfs/dbraw/zinc/26/76/44/502267644.db2.gz FKYHVRFWHBNEAI-REWPJTCUSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475727571 502267648 /nfs/dbraw/zinc/26/76/48/502267648.db2.gz FKYHVRFWHBNEAI-REWPJTCUSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016566 502275904 /nfs/dbraw/zinc/27/59/04/502275904.db2.gz RKNIZDIFIGXRKI-IRFCIJBXSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016566 502275909 /nfs/dbraw/zinc/27/59/09/502275909.db2.gz RKNIZDIFIGXRKI-IRFCIJBXSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000462016566 502275914 /nfs/dbraw/zinc/27/59/14/502275914.db2.gz RKNIZDIFIGXRKI-IRFCIJBXSA-N 2 1 374.573 3.410 20 0 FGADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000462031022 502280252 /nfs/dbraw/zinc/28/02/52/502280252.db2.gz BWQLFLAWNOWBSV-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000462031022 502280258 /nfs/dbraw/zinc/28/02/58/502280258.db2.gz BWQLFLAWNOWBSV-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000462031022 502280263 /nfs/dbraw/zinc/28/02/63/502280263.db2.gz BWQLFLAWNOWBSV-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000462031022 502280269 /nfs/dbraw/zinc/28/02/69/502280269.db2.gz BWQLFLAWNOWBSV-HXUWFJFHSA-N 2 1 365.521 3.241 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517914 502285306 /nfs/dbraw/zinc/28/53/06/502285306.db2.gz CLVMMBQCZFFKGS-LJQANCHMSA-N 2 1 364.578 3.205 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517914 502285312 /nfs/dbraw/zinc/28/53/12/502285312.db2.gz CLVMMBQCZFFKGS-LJQANCHMSA-N 2 1 364.578 3.205 20 0 FGADMP C[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465517914 502285318 /nfs/dbraw/zinc/28/53/18/502285318.db2.gz CLVMMBQCZFFKGS-LJQANCHMSA-N 2 1 364.578 3.205 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000465536486 502296466 /nfs/dbraw/zinc/29/64/66/502296466.db2.gz DXUWZAHMDCKHQA-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCOC(=O)c1ncc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000602803084 506306039 /nfs/dbraw/zinc/30/60/39/506306039.db2.gz ZKUPLHGKVMWPGO-UHFFFAOYSA-N 2 1 365.543 3.408 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000465608035 502323980 /nfs/dbraw/zinc/32/39/80/502323980.db2.gz UCPZVZBCQWIVLZ-ICSRJNTNSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000465608035 502323985 /nfs/dbraw/zinc/32/39/85/502323985.db2.gz UCPZVZBCQWIVLZ-ICSRJNTNSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000465608035 502323991 /nfs/dbraw/zinc/32/39/91/502323991.db2.gz UCPZVZBCQWIVLZ-ICSRJNTNSA-N 2 1 364.578 3.205 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000479641217 502327748 /nfs/dbraw/zinc/32/77/48/502327748.db2.gz NKGUUQWPSZXMQO-NQIIRXRSSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2C2CCC2)CC1 ZINC000479641217 502327755 /nfs/dbraw/zinc/32/77/55/502327755.db2.gz NKGUUQWPSZXMQO-NQIIRXRSSA-N 2 1 355.526 3.156 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000479672879 502339813 /nfs/dbraw/zinc/33/98/13/502339813.db2.gz IQGLZBPNXMYCLF-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)C1 ZINC000479672879 502339816 /nfs/dbraw/zinc/33/98/16/502339816.db2.gz IQGLZBPNXMYCLF-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000479672879 502339817 /nfs/dbraw/zinc/33/98/17/502339817.db2.gz IQGLZBPNXMYCLF-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP O=C(N[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1)c1cc2ccccc2o1 ZINC000479682012 502343340 /nfs/dbraw/zinc/34/33/40/502343340.db2.gz DMOPVWSNBKYCDF-SFHVURJKSA-N 2 1 355.482 3.017 20 0 FGADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000479690394 502344844 /nfs/dbraw/zinc/34/48/44/502344844.db2.gz NURPSWORCOPWDK-YRPNKDGESA-N 2 1 364.578 3.013 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479710462 502352733 /nfs/dbraw/zinc/35/27/33/502352733.db2.gz PZLDBJMJHMUENP-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP CCC[N@@H+](C)CC(=O)N[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000487085528 502353441 /nfs/dbraw/zinc/35/34/41/502353441.db2.gz LUIXOAWTXAVPJR-IBGZPJMESA-N 2 1 367.484 3.338 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC[N@H+]1C ZINC000465769583 502378680 /nfs/dbraw/zinc/37/86/80/502378680.db2.gz HNXCNSCAESQKIH-NQIIRXRSSA-N 2 1 372.557 3.345 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1)C(C)C ZINC000465828449 502397140 /nfs/dbraw/zinc/39/71/40/502397140.db2.gz BBPVGRWLYZPJIB-LJQANCHMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1)C(C)C ZINC000465828449 502397142 /nfs/dbraw/zinc/39/71/42/502397142.db2.gz BBPVGRWLYZPJIB-LJQANCHMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)C ZINC000465828449 502397147 /nfs/dbraw/zinc/39/71/47/502397147.db2.gz BBPVGRWLYZPJIB-LJQANCHMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000483526650 502421466 /nfs/dbraw/zinc/42/14/66/502421466.db2.gz SGZUUMKSBZDMEK-NQIIRXRSSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000465920852 502427555 /nfs/dbraw/zinc/42/75/55/502427555.db2.gz GIJQVSJBCFSTSZ-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)c1ccc(C)cc1 ZINC000465950160 502437691 /nfs/dbraw/zinc/43/76/91/502437691.db2.gz MBCBGCFRYRHKOY-FPOVZHCZSA-N 2 1 374.573 3.156 20 0 FGADMP CC(C)[N@@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000469522147 502450947 /nfs/dbraw/zinc/45/09/47/502450947.db2.gz OHEONOOUDXTYMQ-OAQYLSRUSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[N@H+]1CCO[C@@H](C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)C1 ZINC000469522147 502450949 /nfs/dbraw/zinc/45/09/49/502450949.db2.gz OHEONOOUDXTYMQ-OAQYLSRUSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)C1 ZINC000469522147 502450951 /nfs/dbraw/zinc/45/09/51/502450951.db2.gz OHEONOOUDXTYMQ-OAQYLSRUSA-N 2 1 373.541 3.499 20 0 FGADMP CC(C)[NH+]1CCO[C@@H](C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000469522147 502450953 /nfs/dbraw/zinc/45/09/53/502450953.db2.gz OHEONOOUDXTYMQ-OAQYLSRUSA-N 2 1 373.541 3.499 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676225 502460039 /nfs/dbraw/zinc/46/00/39/502460039.db2.gz BNLVNUFJYKSDDG-TYPHKJRUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676225 502460043 /nfs/dbraw/zinc/46/00/43/502460043.db2.gz BNLVNUFJYKSDDG-TYPHKJRUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000483676225 502460046 /nfs/dbraw/zinc/46/00/46/502460046.db2.gz BNLVNUFJYKSDDG-TYPHKJRUSA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C[C@H]1C ZINC000483684100 502462969 /nfs/dbraw/zinc/46/29/69/502462969.db2.gz PISPWIOPWXSGPC-GIVPXCGWSA-N 2 1 372.557 3.338 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000483700259 502467360 /nfs/dbraw/zinc/46/73/60/502467360.db2.gz JZNDNSFNMDABHP-MJGOQNOKSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000483700259 502467365 /nfs/dbraw/zinc/46/73/65/502467365.db2.gz JZNDNSFNMDABHP-MJGOQNOKSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000483700259 502467372 /nfs/dbraw/zinc/46/73/72/502467372.db2.gz JZNDNSFNMDABHP-MJGOQNOKSA-N 2 1 352.567 3.155 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C ZINC000483714547 502471898 /nfs/dbraw/zinc/47/18/98/502471898.db2.gz OQGRYDIHUPBFNQ-MSOLQXFVSA-N 2 1 352.567 3.155 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C ZINC000483716938 502473919 /nfs/dbraw/zinc/47/39/19/502473919.db2.gz UVFJUROBXDHMQX-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000472970075 502487698 /nfs/dbraw/zinc/48/76/98/502487698.db2.gz KLAADWGEBINFCM-OALUTQOASA-N 2 1 360.546 3.071 20 0 FGADMP CN(C)c1cc(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc[nH+]1 ZINC000480191061 502495528 /nfs/dbraw/zinc/49/55/28/502495528.db2.gz HKRGHOWRBXYTBP-INIZCTEOSA-N 2 1 356.445 3.137 20 0 FGADMP CN(C)c1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc[nH+]1 ZINC000480191061 502495531 /nfs/dbraw/zinc/49/55/31/502495531.db2.gz HKRGHOWRBXYTBP-INIZCTEOSA-N 2 1 356.445 3.137 20 0 FGADMP CCc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000588710141 506317066 /nfs/dbraw/zinc/31/70/66/506317066.db2.gz QPHOMLOXSWSCAQ-QZTJIDSGSA-N 2 1 373.541 3.009 20 0 FGADMP C[C@H]1CCCN1C(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469763686 502536581 /nfs/dbraw/zinc/53/65/81/502536581.db2.gz LEGTXNFSFKQMCJ-LMVRJCEZSA-N 2 1 357.542 3.134 20 0 FGADMP C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](c2ccccc2)C1 ZINC000483991072 502543535 /nfs/dbraw/zinc/54/35/35/502543535.db2.gz DWXPCQHCAMPPHF-NRFANRHFSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)[C@H](c2ccccc2)C1 ZINC000483991072 502543538 /nfs/dbraw/zinc/54/35/38/502543538.db2.gz DWXPCQHCAMPPHF-NRFANRHFSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000473289135 502559805 /nfs/dbraw/zinc/55/98/05/502559805.db2.gz AYDKRONYZGNNQB-KRWDZBQOSA-N 2 1 357.523 3.062 20 0 FGADMP CCCOc1c(Cl)cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1OC ZINC000469856069 502569352 /nfs/dbraw/zinc/56/93/52/502569352.db2.gz LLJGKQQUKGNLQX-UHFFFAOYSA-N 2 1 370.921 3.467 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000476735731 502575652 /nfs/dbraw/zinc/57/56/52/502575652.db2.gz IZMLOUDODLGIJZ-ZCNNSNEGSA-N 2 1 366.594 3.308 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H](CO)Cc1ccc(F)cc1 ZINC000480468446 502576451 /nfs/dbraw/zinc/57/64/51/502576451.db2.gz KQUCDTONMVZSDQ-NRFANRHFSA-N 2 1 358.501 3.477 20 0 FGADMP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000462810065 502583597 /nfs/dbraw/zinc/58/35/97/502583597.db2.gz SWJNANZGJQRUQO-PKOBYXMFSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H]([NH2+]Cc1c2c(nn1C)CCCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462810065 502583603 /nfs/dbraw/zinc/58/36/03/502583603.db2.gz SWJNANZGJQRUQO-PKOBYXMFSA-N 2 1 352.526 3.299 20 0 FGADMP C[C@H]1CCC[C@](CNC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)([NH+](C)C)C1 ZINC000488019066 502602493 /nfs/dbraw/zinc/60/24/93/502602493.db2.gz WDKYZMQFZYPNIJ-WFXMLNOXSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000469990236 502619882 /nfs/dbraw/zinc/61/98/82/502619882.db2.gz IGWCQNUVOHKMIT-MEKRXLCPSA-N 2 1 355.526 3.171 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000469990236 502619886 /nfs/dbraw/zinc/61/98/86/502619886.db2.gz IGWCQNUVOHKMIT-MEKRXLCPSA-N 2 1 355.526 3.171 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000469990236 502619893 /nfs/dbraw/zinc/61/98/93/502619893.db2.gz IGWCQNUVOHKMIT-MEKRXLCPSA-N 2 1 355.526 3.171 20 0 FGADMP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000476989306 502643226 /nfs/dbraw/zinc/64/32/26/502643226.db2.gz MBKNEORUTNSIFG-FPOVZHCZSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)[NH+](CC)CC ZINC000470083511 502654107 /nfs/dbraw/zinc/65/41/07/502654107.db2.gz VYEPUWBBOWIIBD-PXNSSMCTSA-N 2 1 361.530 3.466 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000480739353 502658807 /nfs/dbraw/zinc/65/88/07/502658807.db2.gz MSVKXSJVVKABFK-PZJWPPBQSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000480739353 502658816 /nfs/dbraw/zinc/65/88/16/502658816.db2.gz MSVKXSJVVKABFK-PZJWPPBQSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000480761363 502664083 /nfs/dbraw/zinc/66/40/83/502664083.db2.gz SIJUPGRTGLNWNA-VWPQPMDRSA-N 2 1 359.558 3.240 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000480761359 502664610 /nfs/dbraw/zinc/66/46/10/502664610.db2.gz SIJUPGRTGLNWNA-SJBKTWHCSA-N 2 1 359.558 3.240 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1c1ccc(OC)c(F)c1 ZINC000480771660 502666448 /nfs/dbraw/zinc/66/64/48/502666448.db2.gz OQPLXZHOUVFAQI-HKUYNNGSSA-N 2 1 352.494 3.418 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000463089675 502689853 /nfs/dbraw/zinc/68/98/53/502689853.db2.gz FHSYUROAWMCUNP-UHFFFAOYSA-N 2 1 372.557 3.294 20 0 FGADMP COc1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000470242535 502714354 /nfs/dbraw/zinc/71/43/54/502714354.db2.gz HJLKEWKNVAYFRL-SEJPIABJSA-N 2 1 351.494 3.418 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCOC[C@@H]1[C@@H]1CCCO1 ZINC000463210049 502720426 /nfs/dbraw/zinc/72/04/26/502720426.db2.gz AZVXCPZZNLTABX-RTWAWAEBSA-N 2 1 357.498 3.395 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919653 502777163 /nfs/dbraw/zinc/77/71/63/502777163.db2.gz UXMQQILCMDHHBU-IRXDYDNUSA-N 2 1 353.466 3.477 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481186350 502778086 /nfs/dbraw/zinc/77/80/86/502778086.db2.gz FNBLEUYSXJJHDE-UGKGYDQZSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481186350 502778089 /nfs/dbraw/zinc/77/80/89/502778089.db2.gz FNBLEUYSXJJHDE-UGKGYDQZSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474014854 502779343 /nfs/dbraw/zinc/77/93/43/502779343.db2.gz KOLDJFWEDARLKJ-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474014854 502779349 /nfs/dbraw/zinc/77/93/49/502779349.db2.gz KOLDJFWEDARLKJ-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474014854 502779353 /nfs/dbraw/zinc/77/93/53/502779353.db2.gz KOLDJFWEDARLKJ-AZUAARDMSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000484984285 502793037 /nfs/dbraw/zinc/79/30/37/502793037.db2.gz CHEUNDGWSJBUNY-KNBMTAEXSA-N 2 1 357.523 3.013 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997407 502795369 /nfs/dbraw/zinc/79/53/69/502795369.db2.gz SMGUXMPECIZDKT-SJLPKXTDSA-N 2 1 361.505 3.156 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)C1 ZINC000484997407 502795373 /nfs/dbraw/zinc/79/53/73/502795373.db2.gz SMGUXMPECIZDKT-SJLPKXTDSA-N 2 1 361.505 3.156 20 0 FGADMP COc1cc([C@@H](C)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1F ZINC000504899477 502821167 /nfs/dbraw/zinc/82/11/67/502821167.db2.gz HKLBACFIUXHSLA-IERDGZPVSA-N 2 1 358.457 3.122 20 0 FGADMP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)ccc1F ZINC000504899477 502821169 /nfs/dbraw/zinc/82/11/69/502821169.db2.gz HKLBACFIUXHSLA-IERDGZPVSA-N 2 1 358.457 3.122 20 0 FGADMP CCN(C(=O)CC[C@H]1CCCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000504909988 502822580 /nfs/dbraw/zinc/82/25/80/502822580.db2.gz VLTMFIVHERCXMT-RTWAWAEBSA-N 2 1 357.542 3.374 20 0 FGADMP CC[C@@H](OCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013711 506336097 /nfs/dbraw/zinc/33/60/97/506336097.db2.gz SUWMVKMSUSFMNI-FCHUYYIVSA-N 2 1 359.558 3.255 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@@H](C)C1 ZINC000509154932 502834350 /nfs/dbraw/zinc/83/43/50/502834350.db2.gz PEHXNPUWTOLXPS-GOEBONIOSA-N 2 1 370.440 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@@H](C)C1 ZINC000509154932 502834351 /nfs/dbraw/zinc/83/43/51/502834351.db2.gz PEHXNPUWTOLXPS-GOEBONIOSA-N 2 1 370.440 3.235 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNCc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000513065378 502842890 /nfs/dbraw/zinc/84/28/90/502842890.db2.gz VIPWKVRPMKQHSH-KRWDZBQOSA-N 2 1 364.965 3.056 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000496784786 502905318 /nfs/dbraw/zinc/90/53/18/502905318.db2.gz IXISVYURPXSTOZ-UHFFFAOYSA-N 2 1 351.922 3.105 20 0 FGADMP COc1ccc2c(c1)C[C@@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]2C ZINC000501051810 502922956 /nfs/dbraw/zinc/92/29/56/502922956.db2.gz LMOPCIDHVQPBTP-MOPGFXCFSA-N 2 1 359.558 3.419 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])c1ccccc1 ZINC000497319798 502931339 /nfs/dbraw/zinc/93/13/39/502931339.db2.gz IBZVANBDCUZPTL-PZJWPPBQSA-N 2 1 351.494 3.057 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)c1ccco1 ZINC000509568548 502937366 /nfs/dbraw/zinc/93/73/66/502937366.db2.gz MBHYJCNFFOQUQN-BZSNNMDCSA-N 2 1 364.534 3.225 20 0 FGADMP O[C@@H](C[NH2+][C@@H]1CCSc2ccc(Br)cc21)C[NH+]1CCCC1 ZINC000513466475 502946753 /nfs/dbraw/zinc/94/67/53/502946753.db2.gz GIHRXSMRGIAZRK-DZGCQCFKSA-N 2 1 371.344 3.032 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000489491886 502971085 /nfs/dbraw/zinc/97/10/85/502971085.db2.gz FOQNXONCUOSHIS-QKNQBKEWSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000501348657 502989839 /nfs/dbraw/zinc/98/98/39/502989839.db2.gz QBZZGSQTXQXGFB-LEWJYISDSA-N 2 1 372.557 3.195 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCCC1 ZINC000501348657 502989842 /nfs/dbraw/zinc/98/98/42/502989842.db2.gz QBZZGSQTXQXGFB-LEWJYISDSA-N 2 1 372.557 3.195 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2c(s1)CCCC2 ZINC000505825025 502993147 /nfs/dbraw/zinc/99/31/47/502993147.db2.gz NXMYCDSTTDEPFB-KRWDZBQOSA-N 2 1 363.571 3.115 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000501383869 502997211 /nfs/dbraw/zinc/99/72/11/502997211.db2.gz AOUAJAXSVQRTQO-NHCUHLMSSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)Cc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[NH+](C)C)cc1 ZINC000497608295 502999108 /nfs/dbraw/zinc/99/91/08/502999108.db2.gz DCMXNMGWGNUQAX-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000489631651 503001652 /nfs/dbraw/zinc/00/16/52/503001652.db2.gz DVBNWMMVNHQRJF-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000509976962 503022114 /nfs/dbraw/zinc/02/21/14/503022114.db2.gz PANXRJCQKMVSKE-UHFFFAOYSA-N 2 1 365.477 3.194 20 0 FGADMP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000501518347 503027510 /nfs/dbraw/zinc/02/75/10/503027510.db2.gz SAESUNJCNWCAQK-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@H]1C ZINC000501520475 503027697 /nfs/dbraw/zinc/02/76/97/503027697.db2.gz FDIQVKXFAFQRPM-RTBURBONSA-N 2 1 372.557 3.213 20 0 FGADMP CN1CCN(C(=O)CC[N@@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000513879642 503040312 /nfs/dbraw/zinc/04/03/12/503040312.db2.gz HTGXQBIXQZJZRK-UHFFFAOYSA-N 2 1 370.324 3.122 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000513879642 503040315 /nfs/dbraw/zinc/04/03/15/503040315.db2.gz HTGXQBIXQZJZRK-UHFFFAOYSA-N 2 1 370.324 3.122 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000489830257 503044157 /nfs/dbraw/zinc/04/41/57/503044157.db2.gz KBWOYXWKNMEAFV-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906509 503062291 /nfs/dbraw/zinc/06/22/91/503062291.db2.gz LQDAGOVZMPXSQZ-OCCSQVGLSA-N 2 1 358.313 3.374 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000489906509 503062293 /nfs/dbraw/zinc/06/22/93/503062293.db2.gz LQDAGOVZMPXSQZ-OCCSQVGLSA-N 2 1 358.313 3.374 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000497909603 503064381 /nfs/dbraw/zinc/06/43/81/503064381.db2.gz WXOJVCCVXIWZNG-KRWDZBQOSA-N 2 1 371.447 3.112 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000514126582 503094219 /nfs/dbraw/zinc/09/42/19/503094219.db2.gz JVBWSLNJGKQUGJ-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000514126582 503094222 /nfs/dbraw/zinc/09/42/22/503094222.db2.gz JVBWSLNJGKQUGJ-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000514126582 503094226 /nfs/dbraw/zinc/09/42/26/503094226.db2.gz JVBWSLNJGKQUGJ-CEXWTWQISA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000514244794 503124760 /nfs/dbraw/zinc/12/47/60/503124760.db2.gz NFSGQVGFMDEFQL-HDAAZOAOSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)C1 ZINC000514244794 503124762 /nfs/dbraw/zinc/12/47/62/503124762.db2.gz NFSGQVGFMDEFQL-HDAAZOAOSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)C1 ZINC000514244794 503124764 /nfs/dbraw/zinc/12/47/64/503124764.db2.gz NFSGQVGFMDEFQL-HDAAZOAOSA-N 2 1 372.557 3.384 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCCC[C@H]1C ZINC000510510704 503129732 /nfs/dbraw/zinc/12/97/32/503129732.db2.gz IUIPOWAHUTVCMX-YDZRNGNQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000510510704 503129735 /nfs/dbraw/zinc/12/97/35/503129735.db2.gz IUIPOWAHUTVCMX-YDZRNGNQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCCC[C@H]1C ZINC000510510704 503129739 /nfs/dbraw/zinc/12/97/39/503129739.db2.gz IUIPOWAHUTVCMX-YDZRNGNQSA-N 2 1 364.578 3.202 20 0 FGADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000514664822 503161330 /nfs/dbraw/zinc/16/13/30/503161330.db2.gz WJDIGFZJSSWVMM-IVMMDQJWSA-N 2 1 362.499 3.077 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000498403647 503179722 /nfs/dbraw/zinc/17/97/22/503179722.db2.gz WFCOHJSGRBPFAP-GFURTYDTSA-N 2 1 372.557 3.301 20 0 FGADMP FC(F)Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCO2 ZINC000506929248 503196071 /nfs/dbraw/zinc/19/60/71/503196071.db2.gz MEYLORRDDYWTLD-UHFFFAOYSA-N 2 1 368.424 3.325 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)C1 ZINC000506927800 503196547 /nfs/dbraw/zinc/19/65/47/503196547.db2.gz BKYQRVBGAJVVBZ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927800 503196551 /nfs/dbraw/zinc/19/65/51/503196551.db2.gz BKYQRVBGAJVVBZ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)C1 ZINC000506927800 503196553 /nfs/dbraw/zinc/19/65/53/503196553.db2.gz BKYQRVBGAJVVBZ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NCC[NH+](C)C2CC2)C1 ZINC000490863245 503238238 /nfs/dbraw/zinc/23/82/38/503238238.db2.gz RMQJRWALIADXNC-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[N@H+](C)C2CC2)C1 ZINC000490863245 503238241 /nfs/dbraw/zinc/23/82/41/503238241.db2.gz RMQJRWALIADXNC-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000490863245 503238244 /nfs/dbraw/zinc/23/82/44/503238244.db2.gz RMQJRWALIADXNC-HDICACEKSA-N 2 1 372.557 3.058 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(O)CCC(C)CC3)CC2)cs1 ZINC000515054382 503260587 /nfs/dbraw/zinc/26/05/87/503260587.db2.gz FXTUOCCDHHPBOS-UHFFFAOYSA-N 2 1 365.587 3.448 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491023194 503262167 /nfs/dbraw/zinc/26/21/67/503262167.db2.gz URSZMMCTIZZHTD-CVDCTZTESA-N 2 1 367.537 3.176 20 0 FGADMP Cc1cccc(C)c1OC[C@@H](O)C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860031 503277332 /nfs/dbraw/zinc/27/73/32/503277332.db2.gz YOJXTVASCYAGMI-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1cccc(C)c1OC[C@@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000498860031 503277336 /nfs/dbraw/zinc/27/73/36/503277336.db2.gz YOJXTVASCYAGMI-YADHBBJMSA-N 2 1 374.569 3.487 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405862 503295303 /nfs/dbraw/zinc/29/53/03/503295303.db2.gz LVBYZIITWBZXQH-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405862 503295305 /nfs/dbraw/zinc/29/53/05/503295305.db2.gz LVBYZIITWBZXQH-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405862 503295310 /nfs/dbraw/zinc/29/53/10/503295310.db2.gz LVBYZIITWBZXQH-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP OC[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000507488881 503307377 /nfs/dbraw/zinc/30/73/77/503307377.db2.gz VUAUJSGNJPVMKS-UVUJQTEASA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000507488881 503307381 /nfs/dbraw/zinc/30/73/81/503307381.db2.gz VUAUJSGNJPVMKS-UVUJQTEASA-N 2 1 354.469 3.359 20 0 FGADMP OC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000507488881 503307383 /nfs/dbraw/zinc/30/73/83/503307383.db2.gz VUAUJSGNJPVMKS-UVUJQTEASA-N 2 1 354.469 3.359 20 0 FGADMP C[C@H](CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)C1CC[NH2+]CC1 ZINC000515351256 503321319 /nfs/dbraw/zinc/32/13/19/503321319.db2.gz WHPBTJJVPFKWOB-OAHLLOKOSA-N 2 1 364.559 3.483 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(Br)c1OC ZINC000491589170 503322120 /nfs/dbraw/zinc/32/21/20/503322120.db2.gz OLAPDWNRJQGNMS-GFCCVEGCSA-N 2 1 359.308 3.144 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)c2ccccc2)CC1 ZINC000503055757 503337631 /nfs/dbraw/zinc/33/76/31/503337631.db2.gz PIPAKZCBXKNJJH-CTNGQTDRSA-N 2 1 372.557 3.195 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000503058669 503338553 /nfs/dbraw/zinc/33/85/53/503338553.db2.gz LMHIYSOCKCELIZ-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000503058669 503338556 /nfs/dbraw/zinc/33/85/56/503338556.db2.gz LMHIYSOCKCELIZ-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000503058669 503338560 /nfs/dbraw/zinc/33/85/60/503338560.db2.gz LMHIYSOCKCELIZ-ROUUACIJSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc3ccccc32)CC1 ZINC000511630862 503358242 /nfs/dbraw/zinc/35/82/42/503358242.db2.gz SIMMLQQSSICIPM-UHFFFAOYSA-N 2 1 353.510 3.261 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184131 503362878 /nfs/dbraw/zinc/36/28/78/503362878.db2.gz ZZXAHLKGILVBRX-UGKGYDQZSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184131 503362881 /nfs/dbraw/zinc/36/28/81/503362881.db2.gz ZZXAHLKGILVBRX-UGKGYDQZSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184131 503362885 /nfs/dbraw/zinc/36/28/85/503362885.db2.gz ZZXAHLKGILVBRX-UGKGYDQZSA-N 2 1 367.537 3.305 20 0 FGADMP O=C(CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)N1CCCc2ccccc21 ZINC000503184131 503362890 /nfs/dbraw/zinc/36/28/90/503362890.db2.gz ZZXAHLKGILVBRX-UGKGYDQZSA-N 2 1 367.537 3.305 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000507943566 503401424 /nfs/dbraw/zinc/40/14/24/503401424.db2.gz DYEPJPRNRCYEAU-KURKYZTESA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000507943566 503401427 /nfs/dbraw/zinc/40/14/27/503401427.db2.gz DYEPJPRNRCYEAU-KURKYZTESA-N 2 1 361.505 3.121 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000511906183 503412852 /nfs/dbraw/zinc/41/28/52/503412852.db2.gz NBDSWJAENFNRJC-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000511906183 503412855 /nfs/dbraw/zinc/41/28/55/503412855.db2.gz NBDSWJAENFNRJC-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000511906183 503412857 /nfs/dbraw/zinc/41/28/57/503412857.db2.gz NBDSWJAENFNRJC-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247127 503415392 /nfs/dbraw/zinc/41/53/92/503415392.db2.gz KLEFNANLQGSTCG-CDNPAEQRSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247127 503415393 /nfs/dbraw/zinc/41/53/93/503415393.db2.gz KLEFNANLQGSTCG-CDNPAEQRSA-N 2 1 350.506 3.455 20 0 FGADMP COc1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c(C)n1 ZINC000499601225 503441144 /nfs/dbraw/zinc/44/11/44/503441144.db2.gz WFGXRLWJAPPNRZ-UHFFFAOYSA-N 2 1 366.509 3.282 20 0 FGADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(Br)c1 ZINC000512050628 503444453 /nfs/dbraw/zinc/44/44/53/503444453.db2.gz CWACURKKCHGNLF-LBPRGKRZSA-N 2 1 352.276 3.389 20 0 FGADMP COc1ncc(C[NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)c(C)n1 ZINC000499624186 503445333 /nfs/dbraw/zinc/44/53/33/503445333.db2.gz ICJZMAMRWUXYJB-HZPDHXFCSA-N 2 1 354.498 3.040 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000516241258 503479772 /nfs/dbraw/zinc/47/97/72/503479772.db2.gz IDRVWHOXQKMODR-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000516241258 503479775 /nfs/dbraw/zinc/47/97/75/503479775.db2.gz IDRVWHOXQKMODR-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000516241258 503479776 /nfs/dbraw/zinc/47/97/76/503479776.db2.gz IDRVWHOXQKMODR-OALUTQOASA-N 2 1 374.573 3.446 20 0 FGADMP C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882168 503482422 /nfs/dbraw/zinc/48/24/22/503482422.db2.gz FQFVICPXNSBAJS-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503882168 503482424 /nfs/dbraw/zinc/48/24/24/503482424.db2.gz FQFVICPXNSBAJS-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503882168 503482427 /nfs/dbraw/zinc/48/24/27/503482427.db2.gz FQFVICPXNSBAJS-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508699862 503545983 /nfs/dbraw/zinc/54/59/83/503545983.db2.gz SBFQBXURBNAMSH-YYTDSSBASA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702257 503547088 /nfs/dbraw/zinc/54/70/88/503547088.db2.gz VZWYJLQFLBFPFO-ACIOBRDBSA-N 2 1 373.585 3.234 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000504316336 503554815 /nfs/dbraw/zinc/55/48/15/503554815.db2.gz HBDCGFOAPTXOAG-RTBURBONSA-N 2 1 362.562 3.101 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1Br ZINC000516649663 503559987 /nfs/dbraw/zinc/55/99/87/503559987.db2.gz YJYNUSWXFQMGGQ-RHSMWYFYSA-N 2 1 368.319 3.357 20 0 FGADMP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000516658400 503563065 /nfs/dbraw/zinc/56/30/65/503563065.db2.gz MBVKSIFKGUGSRH-ASNBIDDJSA-N 2 1 370.541 3.223 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000494579796 503568307 /nfs/dbraw/zinc/56/83/07/503568307.db2.gz MNXLXMGTFSJYKN-UHFFFAOYSA-N 2 1 363.387 3.245 20 0 FGADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000516700465 503573516 /nfs/dbraw/zinc/57/35/16/503573516.db2.gz KXGSVFFVOIQKSA-QFUCXCTJSA-N 2 1 373.566 3.402 20 0 FGADMP C/C=C/c1ccc(OC[C@H](O)C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(OC)c1 ZINC000512543067 503579819 /nfs/dbraw/zinc/57/98/19/503579819.db2.gz YXOAXMKONUTDEG-UYCLRUNISA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C/c1ccc(OC[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000512543067 503579824 /nfs/dbraw/zinc/57/98/24/503579824.db2.gz YXOAXMKONUTDEG-UYCLRUNISA-N 2 1 374.525 3.025 20 0 FGADMP C/C=C/c1ccc(OC[C@H](O)C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000512543067 503579829 /nfs/dbraw/zinc/57/98/29/503579829.db2.gz YXOAXMKONUTDEG-UYCLRUNISA-N 2 1 374.525 3.025 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000516826859 503595073 /nfs/dbraw/zinc/59/50/73/503595073.db2.gz RSPSLLYHFVFOFT-WIYYLYMNSA-N 2 1 369.509 3.250 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000516826859 503595075 /nfs/dbraw/zinc/59/50/75/503595075.db2.gz RSPSLLYHFVFOFT-WIYYLYMNSA-N 2 1 369.509 3.250 20 0 FGADMP C[C@H](NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000508903126 503595255 /nfs/dbraw/zinc/59/52/55/503595255.db2.gz FHMKEGSXVSPATK-IHPCNDPISA-N 2 1 360.546 3.194 20 0 FGADMP FC(F)(F)COCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512637201 503600842 /nfs/dbraw/zinc/60/08/42/503600842.db2.gz SMWWXZIEEAUFAU-RCCFBDPRSA-N 2 1 356.432 3.456 20 0 FGADMP COc1c(C)cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1C ZINC000516894420 503611195 /nfs/dbraw/zinc/61/11/95/503611195.db2.gz DCFAGGLQRSHQFJ-WCRBZPEASA-N 2 1 357.542 3.055 20 0 FGADMP C[NH+]1CCC([NH2+]Cc2ccc(I)c(Cl)c2)CC1 ZINC000500438862 503625624 /nfs/dbraw/zinc/62/56/24/503625624.db2.gz IDOXHHBRJXWAPR-UHFFFAOYSA-N 2 1 364.658 3.128 20 0 FGADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000516993627 503640000 /nfs/dbraw/zinc/64/00/00/503640000.db2.gz ZOHYMOAATQXMCK-ZDUSSCGKSA-N 2 1 373.310 3.220 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3cc(C)cc(C)c3)CC2)CC1 ZINC000517039758 503649501 /nfs/dbraw/zinc/64/95/01/503649501.db2.gz HVDYFNGJRGMHFV-UHFFFAOYSA-N 2 1 357.542 3.463 20 0 FGADMP CCc1ccc(C[NH+]2CCN(c3ccccc3OCC[NH+](C)C)CC2)o1 ZINC000536674164 503673685 /nfs/dbraw/zinc/67/36/85/503673685.db2.gz ITBVCBFMBKQQGL-UHFFFAOYSA-N 2 1 357.498 3.105 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000536696506 503685224 /nfs/dbraw/zinc/68/52/24/503685224.db2.gz STXITXFVOFSZIG-FQEVSTJZSA-N 2 1 356.514 3.318 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2cc(Br)ccc2F)CC1 ZINC000540143990 503688413 /nfs/dbraw/zinc/68/84/13/503688413.db2.gz LEFFPXWQHNRNGT-CYBMUJFWSA-N 2 1 373.310 3.220 20 0 FGADMP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000543294148 503713491 /nfs/dbraw/zinc/71/34/91/503713491.db2.gz ZHEATFNNYVSEBW-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000540244947 503723049 /nfs/dbraw/zinc/72/30/49/503723049.db2.gz LGKUIKNJYNQGGR-OALUTQOASA-N 2 1 360.542 3.339 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000540301807 503732674 /nfs/dbraw/zinc/73/26/74/503732674.db2.gz JXDBZWNHGJZLDD-FQEVSTJZSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000536833982 503735516 /nfs/dbraw/zinc/73/55/16/503735516.db2.gz RWBCXJMVJHSKKA-BVYCBKJFSA-N 2 1 369.553 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000536842831 503738501 /nfs/dbraw/zinc/73/85/01/503738501.db2.gz BEUSPFCMPGYHGK-YYWHXJBOSA-N 2 1 373.541 3.211 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857411 503742211 /nfs/dbraw/zinc/74/22/11/503742211.db2.gz HWJRHARFHWNKFP-DENIHFKCSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857411 503742215 /nfs/dbraw/zinc/74/22/15/503742215.db2.gz HWJRHARFHWNKFP-DENIHFKCSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000536857691 503742539 /nfs/dbraw/zinc/74/25/39/503742539.db2.gz KBYWLBBUOYPZEG-LJQANCHMSA-N 2 1 373.541 3.337 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc2c(cc1Br)OCCO2 ZINC000540379340 503753303 /nfs/dbraw/zinc/75/33/03/503753303.db2.gz HFPMMFQENIJEHO-LLVKDONJSA-N 2 1 366.259 3.076 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000517491450 503755851 /nfs/dbraw/zinc/75/58/51/503755851.db2.gz KZSJSRYBBHTCHW-MSOLQXFVSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]C[C@@H](O)Cc2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000517555934 503770675 /nfs/dbraw/zinc/77/06/75/503770675.db2.gz BUMLIELAFIRKMR-PTUXOGIPSA-N 2 1 352.522 3.480 20 0 FGADMP C[C@@H](c1ccc(-c2cccc(C[NH+](C)C)c2)cc1)N1CC[NH+](CCO)CC1 ZINC000527587557 503843914 /nfs/dbraw/zinc/84/39/14/503843914.db2.gz LGKLLGISDXMWJH-IBGZPJMESA-N 2 1 367.537 3.086 20 0 FGADMP O=C(C[N@H+](Cc1cccc(F)c1)C1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000533486018 503862296 /nfs/dbraw/zinc/86/22/96/503862296.db2.gz ZMMROZHOHHMMOZ-UHFFFAOYSA-N 2 1 373.516 3.313 20 0 FGADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000530216431 503881193 /nfs/dbraw/zinc/88/11/93/503881193.db2.gz BKYYNXWEDPUAGO-FGZHOGPDSA-N 2 1 371.500 3.423 20 0 FGADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000530216431 503881197 /nfs/dbraw/zinc/88/11/97/503881197.db2.gz BKYYNXWEDPUAGO-FGZHOGPDSA-N 2 1 371.500 3.423 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530218986 503882484 /nfs/dbraw/zinc/88/24/84/503882484.db2.gz KLFNDTBKENKJGH-IUODEOHRSA-N 2 1 371.403 3.177 20 0 FGADMP Fc1ccc(Br)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239232 503887700 /nfs/dbraw/zinc/88/77/00/503887700.db2.gz FSEFEFHMIQLRMO-INIZCTEOSA-N 2 1 371.294 3.179 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676597 503891002 /nfs/dbraw/zinc/89/10/02/503891002.db2.gz UEDMCNSWCCIYLI-QZTJIDSGSA-N 2 1 372.431 3.181 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)NC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000533622394 503903972 /nfs/dbraw/zinc/90/39/72/503903972.db2.gz SZGUKLRBMRYZHG-HXUWFJFHSA-N 2 1 374.573 3.174 20 0 FGADMP Cc1c[nH+]cn1CC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000527790093 503945459 /nfs/dbraw/zinc/94/54/59/503945459.db2.gz NOACYSXXFXRGSD-UHFFFAOYSA-N 2 1 362.477 3.237 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000527799295 503949986 /nfs/dbraw/zinc/94/99/86/503949986.db2.gz UCXBBUKLQLMQTR-HXUWFJFHSA-N 2 1 351.494 3.420 20 0 FGADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000527799295 503949990 /nfs/dbraw/zinc/94/99/90/503949990.db2.gz UCXBBUKLQLMQTR-HXUWFJFHSA-N 2 1 351.494 3.420 20 0 FGADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540962440 503955292 /nfs/dbraw/zinc/95/52/92/503955292.db2.gz XYNLXLSSMVGQLY-FXAWDEMLSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540962449 503955655 /nfs/dbraw/zinc/95/56/55/503955655.db2.gz XYNLXLSSMVGQLY-PXNSSMCTSA-N 2 1 352.478 3.458 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614847 503974673 /nfs/dbraw/zinc/97/46/73/503974673.db2.gz DUVLNNGWJNMDDA-RHSMWYFYSA-N 2 1 356.470 3.110 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614847 503974677 /nfs/dbraw/zinc/97/46/77/503974677.db2.gz DUVLNNGWJNMDDA-RHSMWYFYSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614847 503974681 /nfs/dbraw/zinc/97/46/81/503974681.db2.gz DUVLNNGWJNMDDA-RHSMWYFYSA-N 2 1 356.470 3.110 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCO3)C[C@H]1C ZINC000537614847 503974685 /nfs/dbraw/zinc/97/46/85/503974685.db2.gz DUVLNNGWJNMDDA-RHSMWYFYSA-N 2 1 356.470 3.110 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)[C@@H]1c1ccccc1 ZINC000533986798 504009618 /nfs/dbraw/zinc/00/96/18/504009618.db2.gz VISIPKMMKBLGGP-RTWAWAEBSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@H]3c4ccccc4C(=O)N3C)CC2)C1 ZINC000528008079 504038042 /nfs/dbraw/zinc/03/80/42/504038042.db2.gz WIKHDQKPUSVFAS-BLIXFSHQSA-N 2 1 355.526 3.446 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)C(=O)N1CCCC1 ZINC000528015981 504041442 /nfs/dbraw/zinc/04/14/42/504041442.db2.gz ZWROEVDFSKTRIW-AZUAARDMSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCc2ccccc2)CC1 ZINC000534126981 504048484 /nfs/dbraw/zinc/04/84/84/504048484.db2.gz UBKZFBSNFYYJKD-JOCHJYFZSA-N 2 1 371.569 3.463 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1Cl)N1CCCC1)CC1CC1 ZINC000534133641 504050790 /nfs/dbraw/zinc/05/07/90/504050790.db2.gz CAXHDRFGJPPJFS-LJQANCHMSA-N 2 1 363.933 3.325 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)CC1CC1 ZINC000534133641 504050795 /nfs/dbraw/zinc/05/07/95/504050795.db2.gz CAXHDRFGJPPJFS-LJQANCHMSA-N 2 1 363.933 3.325 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C12CCC(CC1)C2 ZINC000544276535 504070477 /nfs/dbraw/zinc/07/04/77/504070477.db2.gz FEDOBIFRSUKLRE-UHFFFAOYSA-N 2 1 361.574 3.221 20 0 FGADMP Cc1ccc(-c2ncc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)s2)cc1 ZINC000518838036 504075915 /nfs/dbraw/zinc/07/59/15/504075915.db2.gz INXJGAUAQIXOFF-UHFFFAOYSA-N 2 1 358.555 3.188 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000528151415 504094676 /nfs/dbraw/zinc/09/46/76/504094676.db2.gz ZGOJASSHBBCQKP-JRGCBEDISA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000528151415 504094680 /nfs/dbraw/zinc/09/46/80/504094680.db2.gz ZGOJASSHBBCQKP-JRGCBEDISA-N 2 1 374.573 3.052 20 0 FGADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000528151415 504094685 /nfs/dbraw/zinc/09/46/85/504094685.db2.gz ZGOJASSHBBCQKP-JRGCBEDISA-N 2 1 374.573 3.052 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000537960327 504096126 /nfs/dbraw/zinc/09/61/26/504096126.db2.gz QWIJYEZKRIBPPL-WEYGHZABSA-N 2 1 366.505 3.499 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)C[C@@H]1C)C2 ZINC000537960327 504096132 /nfs/dbraw/zinc/09/61/32/504096132.db2.gz QWIJYEZKRIBPPL-WEYGHZABSA-N 2 1 366.505 3.499 20 0 FGADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000544361406 504102939 /nfs/dbraw/zinc/10/29/39/504102939.db2.gz RGOCSVNAPZAZOH-KKSFZXQISA-N 2 1 374.479 3.065 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000544363719 504104332 /nfs/dbraw/zinc/10/43/32/504104332.db2.gz VZESNUABDQPISQ-IRLDBZIGSA-N 2 1 359.558 3.222 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000544363719 504104335 /nfs/dbraw/zinc/10/43/35/504104335.db2.gz VZESNUABDQPISQ-IRLDBZIGSA-N 2 1 359.558 3.222 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000518969661 504106699 /nfs/dbraw/zinc/10/66/99/504106699.db2.gz MOYPAFXISQIESO-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969661 504106705 /nfs/dbraw/zinc/10/67/05/504106705.db2.gz MOYPAFXISQIESO-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000518969661 504106710 /nfs/dbraw/zinc/10/67/10/504106710.db2.gz MOYPAFXISQIESO-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP C[C@@H](CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000541441515 504131032 /nfs/dbraw/zinc/13/10/32/504131032.db2.gz FYXJNEWPLGXJJF-MSOLQXFVSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccc(Cl)cc1 ZINC000531079391 504181796 /nfs/dbraw/zinc/18/17/96/504181796.db2.gz ZPSHHGZXPPTFNY-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000541602155 504195811 /nfs/dbraw/zinc/19/58/11/504195811.db2.gz GAXXXQYLEJJYIF-LPHOPBHVSA-N 2 1 355.526 3.356 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc2c(c1)CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000541602155 504195815 /nfs/dbraw/zinc/19/58/15/504195815.db2.gz GAXXXQYLEJJYIF-LPHOPBHVSA-N 2 1 355.526 3.356 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000519356823 504200693 /nfs/dbraw/zinc/20/06/93/504200693.db2.gz XEBSXIABUMKZFM-HLAWJBBLSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000519361820 504201808 /nfs/dbraw/zinc/20/18/08/504201808.db2.gz FJNSQSRFRKEFDC-IEBWSBKVSA-N 2 1 361.505 3.028 20 0 FGADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000544683971 504216756 /nfs/dbraw/zinc/21/67/56/504216756.db2.gz ZEDLDVNYCWXDGQ-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683971 504216762 /nfs/dbraw/zinc/21/67/62/504216762.db2.gz ZEDLDVNYCWXDGQ-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683971 504216768 /nfs/dbraw/zinc/21/67/68/504216768.db2.gz ZEDLDVNYCWXDGQ-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528419924 504216966 /nfs/dbraw/zinc/21/69/66/504216966.db2.gz GXMKXYPRXGMIHK-KRWDZBQOSA-N 2 1 364.852 3.111 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000528419924 504216971 /nfs/dbraw/zinc/21/69/71/504216971.db2.gz GXMKXYPRXGMIHK-KRWDZBQOSA-N 2 1 364.852 3.111 20 0 FGADMP C[C@H](NC(=O)CN1CCC(c2c[nH]cn2)CC1)c1ccc2c(c1)CCCC2 ZINC000519518342 504237126 /nfs/dbraw/zinc/23/71/26/504237126.db2.gz XALJDFHZDYFMOK-INIZCTEOSA-N 2 1 366.509 3.345 20 0 FGADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000531401525 504294801 /nfs/dbraw/zinc/29/48/01/504294801.db2.gz UTVSGWQSKZMACB-GFCCVEGCSA-N 2 1 364.902 3.291 20 0 FGADMP OC[C@@H]1CCC2(CCOCC2)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000528636891 504306166 /nfs/dbraw/zinc/30/61/66/504306166.db2.gz FGMHMUMRPKZOTC-QFIPXVFZSA-N 2 1 372.553 3.426 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCN2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650625 504314248 /nfs/dbraw/zinc/31/42/48/504314248.db2.gz PEUUPIWZFXDISN-MNEFBYGVSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@@H+]1C ZINC000528650625 504314252 /nfs/dbraw/zinc/31/42/52/504314252.db2.gz PEUUPIWZFXDISN-MNEFBYGVSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC000528650625 504314257 /nfs/dbraw/zinc/31/42/57/504314257.db2.gz PEUUPIWZFXDISN-MNEFBYGVSA-N 2 1 363.933 3.246 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC000528650625 504314267 /nfs/dbraw/zinc/31/42/67/504314267.db2.gz PEUUPIWZFXDISN-MNEFBYGVSA-N 2 1 363.933 3.246 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000519736470 504320138 /nfs/dbraw/zinc/32/01/38/504320138.db2.gz SFHKCDOVAYEBFA-RBUKOAKNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000519736470 504320144 /nfs/dbraw/zinc/32/01/44/504320144.db2.gz SFHKCDOVAYEBFA-RBUKOAKNSA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000519736470 504320148 /nfs/dbraw/zinc/32/01/48/504320148.db2.gz SFHKCDOVAYEBFA-RBUKOAKNSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@H](Cc1cccc(Cl)c1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000535123012 504348322 /nfs/dbraw/zinc/34/83/22/504348322.db2.gz DBDBOHRQEHZYBS-OAHLLOKOSA-N 2 1 372.900 3.304 20 0 FGADMP CC[C@]1(C(=O)NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000519824385 504354343 /nfs/dbraw/zinc/35/43/43/504354343.db2.gz HMODKPIYKSBHSX-LSBZLQRGSA-N 2 1 367.896 3.120 20 0 FGADMP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000535146446 504355117 /nfs/dbraw/zinc/35/51/17/504355117.db2.gz DFHJIVMKFZLRIA-FGZHOGPDSA-N 2 1 369.553 3.231 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)c1 ZINC000519937783 504388564 /nfs/dbraw/zinc/38/85/64/504388564.db2.gz PVKUMEIEZYLLFW-XMSQKQJNSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000531683355 504391921 /nfs/dbraw/zinc/39/19/21/504391921.db2.gz IEXJHPZHVHBVPH-KGLIPLIRSA-N 2 1 369.431 3.496 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000520185716 504430263 /nfs/dbraw/zinc/43/02/63/504430263.db2.gz WEASFEAPMBWHLV-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000520185716 504430265 /nfs/dbraw/zinc/43/02/65/504430265.db2.gz WEASFEAPMBWHLV-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000520185716 504430267 /nfs/dbraw/zinc/43/02/67/504430267.db2.gz WEASFEAPMBWHLV-SBHAEUEKSA-N 2 1 357.542 3.135 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cc(F)c(F)c(F)c2)c2cccs2)CC1 ZINC000520190928 504431512 /nfs/dbraw/zinc/43/15/12/504431512.db2.gz RPKSQNXXJHCFHJ-MRXNPFEDSA-N 2 1 369.456 3.244 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000545346831 504453932 /nfs/dbraw/zinc/45/39/32/504453932.db2.gz OAMTZJKNNLJVLR-ICSRJNTNSA-N 2 1 372.557 3.243 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456204 /nfs/dbraw/zinc/45/62/04/504456204.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456210 /nfs/dbraw/zinc/45/62/10/504456210.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456213 /nfs/dbraw/zinc/45/62/13/504456213.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456218 /nfs/dbraw/zinc/45/62/18/504456218.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC[NH+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456222 /nfs/dbraw/zinc/45/62/22/504456222.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456227 /nfs/dbraw/zinc/45/62/27/504456227.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H](C)C1 ZINC000539046013 504456232 /nfs/dbraw/zinc/45/62/32/504456232.db2.gz GBUOFRLCRJIRDS-HBMCJLEFSA-N 3 1 353.595 3.081 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056526 504460620 /nfs/dbraw/zinc/46/06/20/504460620.db2.gz NZWAXVINKLZNRB-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000539056526 504460624 /nfs/dbraw/zinc/46/06/24/504460624.db2.gz NZWAXVINKLZNRB-NQIIRXRSSA-N 2 1 357.542 3.278 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000531945449 504482869 /nfs/dbraw/zinc/48/28/69/504482869.db2.gz ZIBBJIYDBMXRMJ-UHFFFAOYSA-N 2 1 356.432 3.260 20 0 FGADMP OC1(C(F)(F)F)CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000531945449 504482875 /nfs/dbraw/zinc/48/28/75/504482875.db2.gz ZIBBJIYDBMXRMJ-UHFFFAOYSA-N 2 1 356.432 3.260 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000542478739 504506483 /nfs/dbraw/zinc/50/64/83/504506483.db2.gz OWXHLDUTDAEUMA-UGKGYDQZSA-N 2 1 359.558 3.080 20 0 FGADMP CN1C(=O)C[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000539294778 504521787 /nfs/dbraw/zinc/52/17/87/504521787.db2.gz GUNMWGJCFGRCHD-UYAOXDASSA-N 2 1 361.917 3.076 20 0 FGADMP COc1ccccc1C[C@@H](C)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000532187395 504566156 /nfs/dbraw/zinc/56/61/56/504566156.db2.gz BUWCQAIJVUKIHI-MJGOQNOKSA-N 2 1 373.566 3.266 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCc3c2cccc3F)c2cccs2)CC1 ZINC000532187797 504567399 /nfs/dbraw/zinc/56/73/99/504567399.db2.gz FPOBLEQCRQWWHQ-RBUKOAKNSA-N 2 1 359.514 3.453 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)c2cccs2)CC1 ZINC000532187948 504567509 /nfs/dbraw/zinc/56/75/09/504567509.db2.gz OWRQTYYVGCNHKS-MOPGFXCFSA-N 2 1 359.514 3.453 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532235197 504582828 /nfs/dbraw/zinc/58/28/28/504582828.db2.gz PZRRPRRELDYLAB-RKVPGOIHSA-N 2 1 351.922 3.149 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532235197 504582831 /nfs/dbraw/zinc/58/28/31/504582831.db2.gz PZRRPRRELDYLAB-RKVPGOIHSA-N 2 1 351.922 3.149 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499896 504591297 /nfs/dbraw/zinc/59/12/97/504591297.db2.gz MVXWTLMGRCOVLG-FGZHOGPDSA-N 2 1 371.569 3.261 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747281 504594533 /nfs/dbraw/zinc/59/45/33/504594533.db2.gz ZIPSYKIMASEBOM-MSOLQXFVSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)o1 ZINC000539516526 504596430 /nfs/dbraw/zinc/59/64/30/504596430.db2.gz BHEWYVIBFXKCLH-GKBFQHABSA-N 2 1 354.494 3.376 20 0 FGADMP COc1cc(C)ccc1[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542848356 504633598 /nfs/dbraw/zinc/63/35/98/504633598.db2.gz KNAQAKOTXSMDAK-PXNSSMCTSA-N 2 1 354.494 3.421 20 0 FGADMP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1OC ZINC000521193491 504674317 /nfs/dbraw/zinc/67/43/17/504674317.db2.gz FXIDOIFILLMOJK-KRWDZBQOSA-N 2 1 361.530 3.069 20 0 FGADMP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H](C)c1ccccc1OC ZINC000521193491 504674321 /nfs/dbraw/zinc/67/43/21/504674321.db2.gz FXIDOIFILLMOJK-KRWDZBQOSA-N 2 1 361.530 3.069 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000521309026 504706323 /nfs/dbraw/zinc/70/63/23/504706323.db2.gz HLUCTBKMMUMBRB-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000521309026 504706327 /nfs/dbraw/zinc/70/63/27/504706327.db2.gz HLUCTBKMMUMBRB-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000521309026 504706330 /nfs/dbraw/zinc/70/63/30/504706330.db2.gz HLUCTBKMMUMBRB-SFHVURJKSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000521359961 504718066 /nfs/dbraw/zinc/71/80/66/504718066.db2.gz OAZLTNDTVJMBQZ-GOSISDBHSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000521359961 504718073 /nfs/dbraw/zinc/71/80/73/504718073.db2.gz OAZLTNDTVJMBQZ-GOSISDBHSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000521359961 504718078 /nfs/dbraw/zinc/71/80/78/504718078.db2.gz OAZLTNDTVJMBQZ-GOSISDBHSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000521359962 504718159 /nfs/dbraw/zinc/71/81/59/504718159.db2.gz OAZLTNDTVJMBQZ-SFHVURJKSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000521359962 504718165 /nfs/dbraw/zinc/71/81/65/504718165.db2.gz OAZLTNDTVJMBQZ-SFHVURJKSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1CCc2ccccc2C1 ZINC000521359962 504718170 /nfs/dbraw/zinc/71/81/70/504718170.db2.gz OAZLTNDTVJMBQZ-SFHVURJKSA-N 2 1 357.542 3.156 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC(C)CC1 ZINC000521486020 504746082 /nfs/dbraw/zinc/74/60/82/504746082.db2.gz HHJHZWGTKBFCRJ-PZJWPPBQSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000521593495 504761752 /nfs/dbraw/zinc/76/17/52/504761752.db2.gz DEFYACLYQBVQNZ-OTWHNJEPSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000521593495 504761754 /nfs/dbraw/zinc/76/17/54/504761754.db2.gz DEFYACLYQBVQNZ-OTWHNJEPSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000521593495 504761755 /nfs/dbraw/zinc/76/17/55/504761755.db2.gz DEFYACLYQBVQNZ-OTWHNJEPSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556050923 504787351 /nfs/dbraw/zinc/78/73/51/504787351.db2.gz QNENBUMGKXGHCK-PMACEKPBSA-N 2 1 352.478 3.425 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)OCCO3)C[C@H]1c1ccccc1 ZINC000556050923 504787355 /nfs/dbraw/zinc/78/73/55/504787355.db2.gz QNENBUMGKXGHCK-PMACEKPBSA-N 2 1 352.478 3.425 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076798 504791696 /nfs/dbraw/zinc/79/16/96/504791696.db2.gz RKVKDQYKUCENBD-CVEARBPZSA-N 2 1 357.473 3.217 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000565164851 504813394 /nfs/dbraw/zinc/81/33/94/504813394.db2.gz PZCXWKSBZXYZRH-MOPGFXCFSA-N 2 1 363.933 3.420 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1n1cccn1 ZINC000556270143 504832454 /nfs/dbraw/zinc/83/24/54/504832454.db2.gz ZVYIWHXRMUDYMG-WHCFWRGISA-N 2 1 368.525 3.102 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CCSCC3)C3(C2)CCOCC3)cc1 ZINC000559326080 504835235 /nfs/dbraw/zinc/83/52/35/504835235.db2.gz BBASCWDGYMWCJP-LJQANCHMSA-N 2 1 360.567 3.400 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000562567652 504861513 /nfs/dbraw/zinc/86/15/13/504861513.db2.gz ABBKLKSBNDPDDM-QZTJIDSGSA-N 2 1 374.529 3.206 20 0 FGADMP C[NH+](C)CCCCC(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1 ZINC000553260734 504866618 /nfs/dbraw/zinc/86/66/18/504866618.db2.gz YYEHBTUSMVVQDC-UHFFFAOYSA-N 2 1 352.482 3.315 20 0 FGADMP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000559548557 504884981 /nfs/dbraw/zinc/88/49/81/504884981.db2.gz NEYXHBWCUYCMCW-UGKGYDQZSA-N 2 1 374.488 3.461 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C[C@H]2C[NH+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497886 504889328 /nfs/dbraw/zinc/88/93/28/504889328.db2.gz QJBHFRYFEJMOPP-BVSLBCMMSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497886 504889333 /nfs/dbraw/zinc/88/93/33/504889333.db2.gz QJBHFRYFEJMOPP-BVSLBCMMSA-N 2 1 359.558 3.082 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C[C@@H]1C ZINC000556497886 504889337 /nfs/dbraw/zinc/88/93/37/504889337.db2.gz QJBHFRYFEJMOPP-BVSLBCMMSA-N 2 1 359.558 3.082 20 0 FGADMP CCC[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@H+]1Cc1ccccc1 ZINC000559619570 504898112 /nfs/dbraw/zinc/89/81/12/504898112.db2.gz ONOXYUVVCMPWHF-OAQYLSRUSA-N 2 1 362.477 3.461 20 0 FGADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000549879428 504923948 /nfs/dbraw/zinc/92/39/48/504923948.db2.gz BGQLGSNCMURZEB-FQEVSTJZSA-N 2 1 368.525 3.045 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)nn1 ZINC000559787852 504927928 /nfs/dbraw/zinc/92/79/28/504927928.db2.gz QGPPGMJRVAEGGP-ACRUOGEOSA-N 2 1 365.525 3.179 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)nn1 ZINC000559787852 504927932 /nfs/dbraw/zinc/92/79/32/504927932.db2.gz QGPPGMJRVAEGGP-ACRUOGEOSA-N 2 1 365.525 3.179 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)C2)nn1 ZINC000559787854 504928442 /nfs/dbraw/zinc/92/84/42/504928442.db2.gz QGPPGMJRVAEGGP-HKBOAZHASA-N 2 1 365.525 3.179 20 0 FGADMP Cc1ccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)C2)nn1 ZINC000559787854 504928443 /nfs/dbraw/zinc/92/84/43/504928443.db2.gz QGPPGMJRVAEGGP-HKBOAZHASA-N 2 1 365.525 3.179 20 0 FGADMP CC(C)Cc1ccc(C(=O)C2CCN(C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000565664899 504952866 /nfs/dbraw/zinc/95/28/66/504952866.db2.gz VUKZOEQQKBVQJF-JOCHJYFZSA-N 2 1 372.553 3.235 20 0 FGADMP CC(C)Cc1ccc(C(=O)C2CC[NH+](C[C@H](O)CN(C)C3CC3)CC2)cc1 ZINC000565664899 504952870 /nfs/dbraw/zinc/95/28/70/504952870.db2.gz VUKZOEQQKBVQJF-JOCHJYFZSA-N 2 1 372.553 3.235 20 0 FGADMP C[C@H](C(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000556832973 504988879 /nfs/dbraw/zinc/98/88/79/504988879.db2.gz NYUSEJZVEBFLCZ-FGTMMUONSA-N 2 1 366.509 3.145 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000565796775 504989800 /nfs/dbraw/zinc/98/98/00/504989800.db2.gz ZYQSUJBATBAPBQ-BBWFWOEESA-N 2 1 374.529 3.167 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212246 504993353 /nfs/dbraw/zinc/99/33/53/504993353.db2.gz VXGKJOKTZITLOU-RXVVDRJESA-N 2 1 369.484 3.034 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2ccccc2F)C1)c1ccccc1 ZINC000550212246 504993354 /nfs/dbraw/zinc/99/33/54/504993354.db2.gz VXGKJOKTZITLOU-RXVVDRJESA-N 2 1 369.484 3.034 20 0 FGADMP CN1CCN(c2cccc(Cl)c2C[NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000556870220 505001087 /nfs/dbraw/zinc/00/10/87/505001087.db2.gz DYNSJJYKXDQIFM-UHFFFAOYSA-N 2 1 364.965 3.054 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]Cc3cccnc3)C3(C2)CCOCC3)cc1 ZINC000550262978 505005639 /nfs/dbraw/zinc/00/56/39/505005639.db2.gz QBQASDMCDKYHBH-OAQYLSRUSA-N 2 1 351.494 3.100 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(=O)[nH]1 ZINC000556889945 505007595 /nfs/dbraw/zinc/00/75/95/505007595.db2.gz LOUUBCOHCNYIDH-HMXCVIKNSA-N 2 1 366.509 3.271 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000556936344 505023419 /nfs/dbraw/zinc/02/34/19/505023419.db2.gz MXLUOAKSXIILRW-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000563047893 505033487 /nfs/dbraw/zinc/03/34/87/505033487.db2.gz JWAFBBCNUJZDDD-LEWJYISDSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000557028831 505048029 /nfs/dbraw/zinc/04/80/29/505048029.db2.gz SHKZXJUPSNZRTK-UZLBHIALSA-N 2 1 364.493 3.117 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)C1 ZINC000557115943 505068885 /nfs/dbraw/zinc/06/88/85/505068885.db2.gz FDNJOJJXTPVAGD-AVRDEDQJSA-N 2 1 372.557 3.107 20 0 FGADMP COC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccc1 ZINC000554050851 505076719 /nfs/dbraw/zinc/07/67/19/505076719.db2.gz VUHFSFATBDERJL-XZOQPEGZSA-N 2 1 367.537 3.343 20 0 FGADMP [NH3+]C[C@@H](C[NH+]1CCN(c2ccc3ccccc3n2)CC1)c1ccc(F)cc1 ZINC000563214810 505078182 /nfs/dbraw/zinc/07/81/82/505078182.db2.gz AMMRTPHKEMAZOC-IBGZPJMESA-N 2 1 364.468 3.238 20 0 FGADMP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000554072038 505081111 /nfs/dbraw/zinc/08/11/11/505081111.db2.gz OZAVCZNIJFFLEW-VAMGGRTRSA-N 2 1 357.542 3.298 20 0 FGADMP Cc1ccsc1C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291678 505104342 /nfs/dbraw/zinc/10/43/42/505104342.db2.gz GPBGKEXAAVFBIE-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000557291678 505104345 /nfs/dbraw/zinc/10/43/45/505104345.db2.gz GPBGKEXAAVFBIE-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557291678 505104348 /nfs/dbraw/zinc/10/43/48/505104348.db2.gz GPBGKEXAAVFBIE-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccsc1C[NH+](C)[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000557291678 505104352 /nfs/dbraw/zinc/10/43/52/505104352.db2.gz GPBGKEXAAVFBIE-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000560576135 505130697 /nfs/dbraw/zinc/13/06/97/505130697.db2.gz UAKGMNAEUOYOLS-SXEONFLVSA-N 2 1 369.553 3.180 20 0 FGADMP O[C@@H](C[NH2+]Cc1csc2c1cccc2Br)C[NH+]1CCCC1 ZINC000563439290 505141533 /nfs/dbraw/zinc/14/15/33/505141533.db2.gz LACZPZSMDXGCOB-ZDUSSCGKSA-N 2 1 369.328 3.210 20 0 FGADMP COC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccccc1 ZINC000554347352 505151274 /nfs/dbraw/zinc/15/12/74/505151274.db2.gz RRYWJSZERCHVOW-OALUTQOASA-N 2 1 359.539 3.014 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000563500418 505158375 /nfs/dbraw/zinc/15/83/75/505158375.db2.gz DPDXAQUQYWBHAP-IERDGZPVSA-N 2 1 364.493 3.289 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC1 ZINC000551111680 505159470 /nfs/dbraw/zinc/15/94/70/505159470.db2.gz NVZBNVNLMWHLGC-SFTDATJTSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000551111680 505159476 /nfs/dbraw/zinc/15/94/76/505159476.db2.gz NVZBNVNLMWHLGC-SFTDATJTSA-N 2 1 372.557 3.194 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000551111680 505159481 /nfs/dbraw/zinc/15/94/81/505159481.db2.gz NVZBNVNLMWHLGC-SFTDATJTSA-N 2 1 372.557 3.194 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000557584000 505175151 /nfs/dbraw/zinc/17/51/51/505175151.db2.gz GGRUNUSEDFFAKE-UHFFFAOYSA-N 2 1 361.555 3.214 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)c3ccc(OC)cc3)CC2)CC1 ZINC000566432835 505175281 /nfs/dbraw/zinc/17/52/81/505175281.db2.gz KBDURBDDTMBUFX-KRWDZBQOSA-N 2 1 373.541 3.069 20 0 FGADMP CS(=O)(=O)c1cccc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)c1 ZINC000566480856 505186966 /nfs/dbraw/zinc/18/69/66/505186966.db2.gz BFEWCIQQDLNXOD-NLWGTHIKSA-N 2 1 358.507 3.039 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000563618652 505194094 /nfs/dbraw/zinc/19/40/94/505194094.db2.gz ZOFZWFWICAFZME-QZTJIDSGSA-N 2 1 368.949 3.346 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)[C@H]1n1cccn1 ZINC000551321143 505200952 /nfs/dbraw/zinc/20/09/52/505200952.db2.gz ZDYCXPUCJIMATB-CGRMTHRGSA-N 2 1 365.481 3.447 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537086 505246893 /nfs/dbraw/zinc/24/68/93/505246893.db2.gz LSCRRJNZWUJQJL-LEWJYISDSA-N 2 1 359.558 3.240 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)[C@H]1c1cccs1 ZINC000563955554 505288192 /nfs/dbraw/zinc/28/81/92/505288192.db2.gz KURLHIJFSBSCJB-KPFFTGBYSA-N 2 1 369.534 3.134 20 0 FGADMP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000558146761 505319972 /nfs/dbraw/zinc/31/99/72/505319972.db2.gz NMAHZZYLXGDHMY-QESAQDPVSA-N 2 1 369.553 3.106 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000558164249 505324764 /nfs/dbraw/zinc/32/47/64/505324764.db2.gz ACWUVRKLGNBPHY-KRWDZBQOSA-N 2 1 361.486 3.488 20 0 FGADMP CCc1cc(CCC[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000564250054 505362625 /nfs/dbraw/zinc/36/26/25/505362625.db2.gz AJIVQHDZWCGNEH-HDICACEKSA-N 2 1 363.546 3.381 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000558380411 505371664 /nfs/dbraw/zinc/37/16/64/505371664.db2.gz QELISQYWVSDDEB-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380411 505371667 /nfs/dbraw/zinc/37/16/67/505371667.db2.gz QELISQYWVSDDEB-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC[NH+]1Cc1ccccc1 ZINC000558380411 505371670 /nfs/dbraw/zinc/37/16/70/505371670.db2.gz QELISQYWVSDDEB-SBHAEUEKSA-N 2 1 372.557 3.213 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)cn1C ZINC000564298702 505376591 /nfs/dbraw/zinc/37/65/91/505376591.db2.gz NBKGLWKKKBVZFP-QGZVFWFLSA-N 2 1 369.509 3.476 20 0 FGADMP C[C@H]([NH2+]C1(CO)Cc2ccccc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567147511 505376973 /nfs/dbraw/zinc/37/69/73/505376973.db2.gz PHOHSQCRIHRYOO-PGRDOPGGSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000552057268 505384703 /nfs/dbraw/zinc/38/47/03/505384703.db2.gz MJODSTSKHHJPOR-FUHWJXTLSA-N 2 1 365.477 3.190 20 0 FGADMP COc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423164 505385693 /nfs/dbraw/zinc/38/56/93/505385693.db2.gz HDWDZVWRUFXYNF-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423164 505385695 /nfs/dbraw/zinc/38/56/95/505385695.db2.gz HDWDZVWRUFXYNF-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423164 505385698 /nfs/dbraw/zinc/38/56/98/505385698.db2.gz HDWDZVWRUFXYNF-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423164 505385701 /nfs/dbraw/zinc/38/57/01/505385701.db2.gz HDWDZVWRUFXYNF-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423164 505385705 /nfs/dbraw/zinc/38/57/05/505385705.db2.gz HDWDZVWRUFXYNF-ZBFHGGJFSA-N 2 1 350.528 3.342 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552063798 505387242 /nfs/dbraw/zinc/38/72/42/505387242.db2.gz NLCBBKSWHOJVLC-BDTNDASRSA-N 3 1 357.542 3.122 20 0 FGADMP CN1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000552063798 505387244 /nfs/dbraw/zinc/38/72/44/505387244.db2.gz NLCBBKSWHOJVLC-BDTNDASRSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552063798 505387245 /nfs/dbraw/zinc/38/72/45/505387245.db2.gz NLCBBKSWHOJVLC-BDTNDASRSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)cc2)CC1 ZINC000552063798 505387247 /nfs/dbraw/zinc/38/72/47/505387247.db2.gz NLCBBKSWHOJVLC-BDTNDASRSA-N 2 1 357.542 3.122 20 0 FGADMP O=C(C[NH2+]Cc1ccc(-c2ccccc2F)o1)NCC[NH+]1CCCCCC1 ZINC000552064760 505387975 /nfs/dbraw/zinc/38/79/75/505387975.db2.gz MUYIPPXWJPPJMD-UHFFFAOYSA-N 2 1 373.472 3.168 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228723 505401217 /nfs/dbraw/zinc/40/12/17/505401217.db2.gz RGNQTMZSKPACRN-HZPDHXFCSA-N 2 1 355.486 3.417 20 0 FGADMP Cc1cc(NC(=O)N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn2cc[nH+]c12 ZINC000567228723 505401221 /nfs/dbraw/zinc/40/12/21/505401221.db2.gz RGNQTMZSKPACRN-HZPDHXFCSA-N 2 1 355.486 3.417 20 0 FGADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000558578194 505429387 /nfs/dbraw/zinc/42/93/87/505429387.db2.gz AMJCPSDAQSPUTK-CYBMUJFWSA-N 2 1 365.428 3.055 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1C(F)F ZINC000558578194 505429392 /nfs/dbraw/zinc/42/93/92/505429392.db2.gz AMJCPSDAQSPUTK-CYBMUJFWSA-N 2 1 365.428 3.055 20 0 FGADMP CN(C)C(=O)CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000552251222 505441433 /nfs/dbraw/zinc/44/14/33/505441433.db2.gz OHOAJYMMSWYNDZ-PCCBWWKXSA-N 2 1 357.542 3.135 20 0 FGADMP CC[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555622279 505477171 /nfs/dbraw/zinc/47/71/71/505477171.db2.gz QNBFBRFEFSEJNU-NRFANRHFSA-N 2 1 359.558 3.477 20 0 FGADMP CC[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000555622280 505477800 /nfs/dbraw/zinc/47/78/00/505477800.db2.gz QNBFBRFEFSEJNU-OAQYLSRUSA-N 2 1 359.558 3.477 20 0 FGADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000552433578 505491172 /nfs/dbraw/zinc/49/11/72/505491172.db2.gz QJESKYWTOZATKH-OAQYLSRUSA-N 2 1 373.541 3.039 20 0 FGADMP CCOc1cc(C[NH+]2CCC(CC[NH3+])CC2)cc(Br)c1OC ZINC000564801304 505523398 /nfs/dbraw/zinc/52/33/98/505523398.db2.gz DZMIHMACLGQDOL-UHFFFAOYSA-N 2 1 371.319 3.417 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000562199153 505538157 /nfs/dbraw/zinc/53/81/57/505538157.db2.gz NIKHMOFINLPLGK-UHFFFAOYSA-N 2 1 359.558 3.059 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000564924574 505559541 /nfs/dbraw/zinc/55/95/41/505559541.db2.gz MCGJFZNYVNIELC-IIBYNOLFSA-N 2 1 367.493 3.354 20 0 FGADMP [NH3+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000564955331 505562832 /nfs/dbraw/zinc/56/28/32/505562832.db2.gz XBCIYRNKJOZPSE-FCHUYYIVSA-N 2 1 365.521 3.495 20 0 FGADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000564956796 505562855 /nfs/dbraw/zinc/56/28/55/505562855.db2.gz SZPJVCUIAAHQNY-SFHVURJKSA-N 2 1 370.522 3.213 20 0 FGADMP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000564956796 505562857 /nfs/dbraw/zinc/56/28/57/505562857.db2.gz SZPJVCUIAAHQNY-SFHVURJKSA-N 2 1 370.522 3.213 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000567851340 505568228 /nfs/dbraw/zinc/56/82/28/505568228.db2.gz ALYXVUVHQWJTTJ-SFTDATJTSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@@H]3CCOC3)CC23CC3)cc1 ZINC000567851340 505568229 /nfs/dbraw/zinc/56/82/29/505568229.db2.gz ALYXVUVHQWJTTJ-SFTDATJTSA-N 2 1 358.526 3.216 20 0 FGADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H](C(=O)OC(C)(C)C)C2)cc1 ZINC000589197032 506479860 /nfs/dbraw/zinc/47/98/60/506479860.db2.gz UUGGBRYYWXOMDX-GOSISDBHSA-N 2 1 362.514 3.181 20 0 FGADMP COC(=O)c1cnc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)s1 ZINC000599555573 506499839 /nfs/dbraw/zinc/49/98/39/506499839.db2.gz PWKSRZNTENPJLT-UHFFFAOYSA-N 2 1 362.499 3.094 20 0 FGADMP Cc1ccsc1C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583029674 506551074 /nfs/dbraw/zinc/55/10/74/506551074.db2.gz AIBLGRDSKAHHAB-CALCHBBNSA-N 2 1 352.544 3.147 20 0 FGADMP Cc1ccsc1C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000583029674 506551086 /nfs/dbraw/zinc/55/10/86/506551086.db2.gz AIBLGRDSKAHHAB-CALCHBBNSA-N 2 1 352.544 3.147 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000589506003 506572600 /nfs/dbraw/zinc/57/26/00/506572600.db2.gz LEUUYEHVPBPHRF-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000589506003 506572604 /nfs/dbraw/zinc/57/26/04/506572604.db2.gz LEUUYEHVPBPHRF-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000589506003 506572609 /nfs/dbraw/zinc/57/26/09/506572609.db2.gz LEUUYEHVPBPHRF-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(C[NH+](C)C)c1 ZINC000603694540 506597756 /nfs/dbraw/zinc/59/77/56/506597756.db2.gz DMTKOVZYZUNJDR-LJQANCHMSA-N 2 1 366.509 3.302 20 0 FGADMP CC(CN(C)CC[C@H]1CCCC[N@H+]1C)C[NH+](C)CC[C@H]1CCCC[NH+]1C ZINC000608565690 506611873 /nfs/dbraw/zinc/61/18/73/506611873.db2.gz KSUCPGYAFFPFTL-FGZHOGPDSA-N 3 1 366.638 3.235 20 0 FGADMP CC(CN(C)CC[C@H]1CCCC[NH+]1C)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000608565690 506611877 /nfs/dbraw/zinc/61/18/77/506611877.db2.gz KSUCPGYAFFPFTL-FGZHOGPDSA-N 3 1 366.638 3.235 20 0 FGADMP CC(CN(C)CC[C@H]1CCCC[NH+]1C)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000608565690 506611883 /nfs/dbraw/zinc/61/18/83/506611883.db2.gz KSUCPGYAFFPFTL-FGZHOGPDSA-N 3 1 366.638 3.235 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000583255264 506679957 /nfs/dbraw/zinc/67/99/57/506679957.db2.gz TZQOQGVKRIDONK-MOPGFXCFSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@@H+](CC(=O)NCCc1ccc(F)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999814 506701887 /nfs/dbraw/zinc/70/18/87/506701887.db2.gz XDDGBABZLHBJAK-UHFFFAOYSA-N 2 1 371.500 3.068 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CCCCC1 ZINC000604073709 506703702 /nfs/dbraw/zinc/70/37/02/506703702.db2.gz IIXKPGXYDNHHEE-HXUWFJFHSA-N 2 1 372.557 3.215 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000604179044 506739221 /nfs/dbraw/zinc/73/92/21/506739221.db2.gz ANHODMGKKUNDSL-WOJBJXKFSA-N 2 1 374.573 3.189 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604186112 506742162 /nfs/dbraw/zinc/74/21/62/506742162.db2.gz LWDXLMKKCUEJQT-HXUWFJFHSA-N 2 1 370.541 3.099 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC(=O)N(Cc2ccco2)c2ccccc2)CC1 ZINC000590125966 506743543 /nfs/dbraw/zinc/74/35/43/506743543.db2.gz ZDVLOUYGJTXCBX-UHFFFAOYSA-N 2 1 355.482 3.086 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000604199979 506748199 /nfs/dbraw/zinc/74/81/99/506748199.db2.gz SWKFVDIYIKVIBD-FQEVSTJZSA-N 2 1 370.541 3.099 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCCCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604199980 506748895 /nfs/dbraw/zinc/74/88/95/506748895.db2.gz SWKFVDIYIKVIBD-HXUWFJFHSA-N 2 1 370.541 3.099 20 0 FGADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000597231278 506849561 /nfs/dbraw/zinc/84/95/61/506849561.db2.gz PUGWUYLKMPCCIR-IBGZPJMESA-N 2 1 358.526 3.468 20 0 FGADMP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000597238401 506853488 /nfs/dbraw/zinc/85/34/88/506853488.db2.gz IHVZQSGNSSFMNE-IRLDBZIGSA-N 2 1 358.526 3.405 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000594077327 506927667 /nfs/dbraw/zinc/92/76/67/506927667.db2.gz RFJIKGDKKJOADN-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC2)c1 ZINC000604789005 506942441 /nfs/dbraw/zinc/94/24/41/506942441.db2.gz WRYRVCXSQSMQEE-FQEVSTJZSA-N 2 1 374.573 3.189 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCc3sccc3C2)CC1 ZINC000590818893 506979441 /nfs/dbraw/zinc/97/94/41/506979441.db2.gz GSUYMXZTPMVNCZ-UHFFFAOYSA-N 2 1 363.571 3.075 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000583806402 506983848 /nfs/dbraw/zinc/98/38/48/506983848.db2.gz CBAFNFSLJHGGFJ-TZJYRCSTSA-N 2 1 370.497 3.496 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128292 507126330 /nfs/dbraw/zinc/12/63/30/507126330.db2.gz SDTCUMVTVLDZFZ-WIYYLYMNSA-N 2 1 357.542 3.060 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000613533087 507138804 /nfs/dbraw/zinc/13/88/04/507138804.db2.gz NZLAFYLQYXKNJI-UHFFFAOYSA-N 2 1 370.541 3.350 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000613533087 507138808 /nfs/dbraw/zinc/13/88/08/507138808.db2.gz NZLAFYLQYXKNJI-UHFFFAOYSA-N 2 1 370.541 3.350 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000600861705 507150731 /nfs/dbraw/zinc/15/07/31/507150731.db2.gz OIJXJNNXFNPMRE-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000600871824 507156341 /nfs/dbraw/zinc/15/63/41/507156341.db2.gz GXNCFAIGYRTSJZ-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CCCC2)C1 ZINC000600871824 507156343 /nfs/dbraw/zinc/15/63/43/507156343.db2.gz GXNCFAIGYRTSJZ-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NCC[N@@H+](C)C2CCCC2)C1 ZINC000600871824 507156344 /nfs/dbraw/zinc/15/63/44/507156344.db2.gz GXNCFAIGYRTSJZ-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(=O)OC(C)(C)C ZINC000594516831 507166480 /nfs/dbraw/zinc/16/64/80/507166480.db2.gz FYWBTGJDQXDDSM-MJGOQNOKSA-N 2 1 368.562 3.223 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000600901448 507171367 /nfs/dbraw/zinc/17/13/67/507171367.db2.gz GHZKCBXOMJGDPW-OAQYLSRUSA-N 2 1 372.557 3.216 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605404645 507179733 /nfs/dbraw/zinc/17/97/33/507179733.db2.gz MHSZARCCBZKAER-SJORKVTESA-N 2 1 352.482 3.097 20 0 FGADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000591445050 507252029 /nfs/dbraw/zinc/25/20/29/507252029.db2.gz AWWPNQRCUPILPD-OAHLLOKOSA-N 2 1 372.340 3.225 20 0 FGADMP O=C(c1cnn(-c2cc[nH+]cc2)c1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000584331825 507284713 /nfs/dbraw/zinc/28/47/13/507284713.db2.gz CBDNZADWXPWUGM-UHFFFAOYSA-N 2 1 361.449 3.010 20 0 FGADMP CC(C)[C@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC1 ZINC000591559043 507292256 /nfs/dbraw/zinc/29/22/56/507292256.db2.gz CHPJFHREEISZAZ-ZCNNSNEGSA-N 2 1 366.594 3.164 20 0 FGADMP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000601215445 507298655 /nfs/dbraw/zinc/29/86/55/507298655.db2.gz DRRAQDJVAOJGTC-MAUKXSAKSA-N 2 1 366.937 3.115 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595001550 507349187 /nfs/dbraw/zinc/34/91/87/507349187.db2.gz WXKQDULYVMMZED-MTFMMBMASA-N 2 1 356.510 3.076 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000606534263 507436143 /nfs/dbraw/zinc/43/61/43/507436143.db2.gz DHBAMBPKGHRPDJ-ZRSRNVLSSA-N 2 1 373.541 3.496 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000606534263 507436149 /nfs/dbraw/zinc/43/61/49/507436149.db2.gz DHBAMBPKGHRPDJ-ZRSRNVLSSA-N 2 1 373.541 3.496 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C)c1ccsc1 ZINC000606637836 507461897 /nfs/dbraw/zinc/46/18/97/507461897.db2.gz HJFJUTLSPIJWBY-ZWKOTPCHSA-N 2 1 366.575 3.113 20 0 FGADMP Nc1nc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nc2ccccc12 ZINC000585748510 507613300 /nfs/dbraw/zinc/61/33/00/507613300.db2.gz UOXUOKPDNFRJFD-UHFFFAOYSA-N 2 1 353.514 3.130 20 0 FGADMP C[C@H]1CCC[N@@H+](CCNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175903 507645411 /nfs/dbraw/zinc/64/54/11/507645411.db2.gz ZCKMJSKRBYWENB-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175903 507645414 /nfs/dbraw/zinc/64/54/14/507645414.db2.gz ZCKMJSKRBYWENB-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCC[NH+](CCNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000607175903 507645415 /nfs/dbraw/zinc/64/54/15/507645415.db2.gz ZCKMJSKRBYWENB-VQTJNVASSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000607231425 507662761 /nfs/dbraw/zinc/66/27/61/507662761.db2.gz RXGLVBMWJRBLCR-PMACEKPBSA-N 2 1 372.557 3.167 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000595825832 507701611 /nfs/dbraw/zinc/70/16/11/507701611.db2.gz JSCICDKNUQZGRR-UXHICEINSA-N 2 1 364.578 3.301 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517992 507717800 /nfs/dbraw/zinc/71/78/00/507717800.db2.gz ZCGNAFMXHRELTD-MAUKXSAKSA-N 2 1 356.466 3.375 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517992 507717802 /nfs/dbraw/zinc/71/78/02/507717802.db2.gz ZCGNAFMXHRELTD-MAUKXSAKSA-N 2 1 356.466 3.375 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602465912 507718530 /nfs/dbraw/zinc/71/85/30/507718530.db2.gz RZLUYUROHNGOKN-GOSISDBHSA-N 2 1 355.448 3.003 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)CC1 ZINC000602484435 507722140 /nfs/dbraw/zinc/72/21/40/507722140.db2.gz OYQWECARWQMDNS-GOSISDBHSA-N 2 1 374.479 3.113 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)CC1 ZINC000602484435 507722148 /nfs/dbraw/zinc/72/21/48/507722148.db2.gz OYQWECARWQMDNS-GOSISDBHSA-N 2 1 374.479 3.113 20 0 FGADMP Cc1ccc(NCCCNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)[nH+]c1 ZINC000480512972 514984245 /nfs/dbraw/zinc/98/42/45/514984245.db2.gz CGNCXLCAWDQOAP-FXAWDEMLSA-N 2 1 369.513 3.183 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000669125179 568086145 /nfs/dbraw/zinc/08/61/45/568086145.db2.gz XPKPPNZNZSNVFE-LVCYWYKZSA-N 2 1 372.557 3.330 20 0 FGADMP COc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(Br)cn1 ZINC000621250207 568235947 /nfs/dbraw/zinc/23/59/47/568235947.db2.gz SDCDVWSANANOQF-UHFFFAOYSA-N 2 1 356.308 3.016 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)CC[N@H+]1C ZINC000824894562 608362673 /nfs/dbraw/zinc/36/26/73/608362673.db2.gz YSWBLWYELVFXLT-QAPCUYQASA-N 2 1 362.481 3.106 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935390 608501490 /nfs/dbraw/zinc/50/14/90/608501490.db2.gz ALDDJFLSUOOAHW-UZLBHIALSA-N 2 1 368.529 3.488 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945772 608501654 /nfs/dbraw/zinc/50/16/54/608501654.db2.gz FLMDKWZZLDJQHP-OXQOHEQNSA-N 2 1 368.529 3.346 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585283 609326040 /nfs/dbraw/zinc/32/60/40/609326040.db2.gz PCFFCELHBNCCSO-LSDHHAIUSA-N 2 1 360.481 3.311 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571046 700337622 /nfs/dbraw/zinc/33/76/22/700337622.db2.gz KPHJCBUELCULDO-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571046 700337624 /nfs/dbraw/zinc/33/76/24/700337624.db2.gz KPHJCBUELCULDO-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000081571046 700337628 /nfs/dbraw/zinc/33/76/28/700337628.db2.gz KPHJCBUELCULDO-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP CC(C)(C)OC(=O)NC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000166429385 705344056 /nfs/dbraw/zinc/34/40/56/705344056.db2.gz QTPPFBGQMSWFLZ-DLBZAZTESA-N 2 1 351.535 3.430 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2CNC(=O)OC(C)(C)C)C1 ZINC000180206417 705732145 /nfs/dbraw/zinc/73/21/45/705732145.db2.gz FETORUJUQIYBKW-KZNAEPCWSA-N 2 1 353.551 3.391 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000182694202 705856746 /nfs/dbraw/zinc/85/67/46/705856746.db2.gz DJKSSFGODVOSEV-MSOLQXFVSA-N 2 1 353.551 3.486 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000185282202 712690793 /nfs/dbraw/zinc/69/07/93/712690793.db2.gz WVWOZIDONBKPNJ-UHFFFAOYSA-N 2 1 363.845 3.478 20 0 FGADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)([NH+](C)C)C1 ZINC000237545792 713593371 /nfs/dbraw/zinc/59/33/71/713593371.db2.gz KNHVNLIQCFSJBV-JXFKEZNVSA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245891326 713613154 /nfs/dbraw/zinc/61/31/54/713613154.db2.gz CHZAHJPXLXNMRN-HYVNUMGLSA-N 2 1 350.507 3.111 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555433 713653237 /nfs/dbraw/zinc/65/32/37/713653237.db2.gz KMBDVJQULYMMMX-RHSMWYFYSA-N 2 1 373.310 3.428 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555433 713653238 /nfs/dbraw/zinc/65/32/38/713653238.db2.gz KMBDVJQULYMMMX-RHSMWYFYSA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555433 713653240 /nfs/dbraw/zinc/65/32/40/713653240.db2.gz KMBDVJQULYMMMX-RHSMWYFYSA-N 2 1 373.310 3.428 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000248555433 713653243 /nfs/dbraw/zinc/65/32/43/713653243.db2.gz KMBDVJQULYMMMX-RHSMWYFYSA-N 2 1 373.310 3.428 20 0 FGADMP Brc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000252414399 713673052 /nfs/dbraw/zinc/67/30/52/713673052.db2.gz HKYJDQZDRODDLD-WMLDXEAASA-N 2 1 353.304 3.292 20 0 FGADMP Clc1ccc(-n2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nn2)c(Cl)c1 ZINC000262044680 713717820 /nfs/dbraw/zinc/71/78/20/713717820.db2.gz PPBHBMZLXUEDDZ-UHFFFAOYSA-N 2 1 366.296 3.150 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C(C)(C)C1 ZINC000310677746 713800416 /nfs/dbraw/zinc/80/04/16/713800416.db2.gz QBLZSYQTZLBWFL-ZACQAIPSSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075033 713898142 /nfs/dbraw/zinc/89/81/42/713898142.db2.gz PMGOZGDUFOXOCE-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075033 713898148 /nfs/dbraw/zinc/89/81/48/713898148.db2.gz PMGOZGDUFOXOCE-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000385405787 713983066 /nfs/dbraw/zinc/98/30/66/713983066.db2.gz AEQMXHISTGOOJN-VSZNYVQBSA-N 2 1 351.535 3.429 20 0 FGADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479956052 714090695 /nfs/dbraw/zinc/09/06/95/714090695.db2.gz JGFRBJCHKLRDHM-MBNYWOFBSA-N 2 1 368.321 3.210 20 0 FGADMP F[C@H](C(F)(F)F)C(F)(F)Oc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479956052 714090697 /nfs/dbraw/zinc/09/06/97/714090697.db2.gz JGFRBJCHKLRDHM-MBNYWOFBSA-N 2 1 368.321 3.210 20 0 FGADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1nc(C)cs1 ZINC000572983280 714448745 /nfs/dbraw/zinc/44/87/45/714448745.db2.gz MSNVPRPOPCTTQJ-UHFFFAOYSA-N 2 1 364.559 3.001 20 0 FGADMP CC(C)[C@H](C(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1)[NH+](C)C ZINC000617866188 714698109 /nfs/dbraw/zinc/69/81/09/714698109.db2.gz CSQNOAFOPYEEMV-QGZVFWFLSA-N 2 1 360.527 3.415 20 0 FGADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003763 715046430 /nfs/dbraw/zinc/04/64/30/715046430.db2.gz FNZJHFARRXICQT-PBHICJAKSA-N 2 1 350.388 3.204 20 0 FGADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](Cc1ccc(-n3ccc(C(F)(F)F)n3)cc1)C2 ZINC000622003763 715046433 /nfs/dbraw/zinc/04/64/33/715046433.db2.gz FNZJHFARRXICQT-PBHICJAKSA-N 2 1 350.388 3.204 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000643595529 718039221 /nfs/dbraw/zinc/03/92/21/718039221.db2.gz RKNZSVKIDAFVOH-RCCFBDPRSA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000643595529 718039223 /nfs/dbraw/zinc/03/92/23/718039223.db2.gz RKNZSVKIDAFVOH-RCCFBDPRSA-N 2 1 367.896 3.247 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)CC1(C)C ZINC000623454673 715339832 /nfs/dbraw/zinc/33/98/32/715339832.db2.gz NQSHXOCMDBTSSN-GDBMZVCRSA-N 2 1 358.448 3.319 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655317 715380373 /nfs/dbraw/zinc/38/03/73/715380373.db2.gz URZDXWUZEUJCCB-WMZOPIPTSA-N 2 1 351.922 3.008 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000623657036 715380754 /nfs/dbraw/zinc/38/07/54/715380754.db2.gz IOLXOQPCJPUXAU-MRXNPFEDSA-N 2 1 363.933 3.266 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626040507 715834549 /nfs/dbraw/zinc/83/45/49/715834549.db2.gz GUGQGHXPDPYYLK-QIIPPGSGSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000626040507 715834555 /nfs/dbraw/zinc/83/45/55/715834555.db2.gz GUGQGHXPDPYYLK-QIIPPGSGSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000626040507 715834562 /nfs/dbraw/zinc/83/45/62/715834562.db2.gz GUGQGHXPDPYYLK-QIIPPGSGSA-N 2 1 367.331 3.082 20 0 FGADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000626040507 715834569 /nfs/dbraw/zinc/83/45/69/715834569.db2.gz GUGQGHXPDPYYLK-QIIPPGSGSA-N 2 1 367.331 3.082 20 0 FGADMP CC[N@H+](CC(=O)NCc1sccc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061990 715841372 /nfs/dbraw/zinc/84/13/72/715841372.db2.gz BYVNWFJXORSLBX-UHFFFAOYSA-N 2 1 359.539 3.256 20 0 FGADMP CC[N@@H+](CC(=O)NCc1sccc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061990 715841378 /nfs/dbraw/zinc/84/13/78/715841378.db2.gz BYVNWFJXORSLBX-UHFFFAOYSA-N 2 1 359.539 3.256 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567213 716309909 /nfs/dbraw/zinc/30/99/09/716309909.db2.gz PGBPLOZGUPUQDY-NEPJUHHUSA-N 2 1 363.811 3.128 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629567213 716309914 /nfs/dbraw/zinc/30/99/14/716309914.db2.gz PGBPLOZGUPUQDY-NEPJUHHUSA-N 2 1 363.811 3.128 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1C(F)(F)F ZINC000629565849 716310244 /nfs/dbraw/zinc/31/02/44/716310244.db2.gz XSGHWQNUEAIHAH-BXUZGUMPSA-N 2 1 363.811 3.128 20 0 FGADMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977540 716373414 /nfs/dbraw/zinc/37/34/14/716373414.db2.gz KREKCYXNMNSATK-AUUYWEPGSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977540 716373419 /nfs/dbraw/zinc/37/34/19/716373419.db2.gz KREKCYXNMNSATK-AUUYWEPGSA-N 2 1 367.896 3.072 20 0 FGADMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)C1CCC1 ZINC000629977540 716373429 /nfs/dbraw/zinc/37/34/29/716373429.db2.gz KREKCYXNMNSATK-AUUYWEPGSA-N 2 1 367.896 3.072 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000635603518 717181078 /nfs/dbraw/zinc/18/10/78/717181078.db2.gz PJTLHUFEGIRQMZ-CRAIPNDOSA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000635603518 717181080 /nfs/dbraw/zinc/18/10/80/717181080.db2.gz PJTLHUFEGIRQMZ-CRAIPNDOSA-N 2 1 360.527 3.267 20 0 FGADMP Cc1sc2nc([C@H](C)[N@@H+]3CCC4(C3)CC[NH+](C)CC4)[nH]c(=O)c2c1C ZINC000639757503 717598908 /nfs/dbraw/zinc/59/89/08/717598908.db2.gz NGMWTXYTRILMGR-ZDUSSCGKSA-N 2 1 360.527 3.492 20 0 FGADMP Cc1sc2nc([C@H](C)[N@H+]3CCC4(C3)CC[NH+](C)CC4)[nH]c(=O)c2c1C ZINC000639757503 717598911 /nfs/dbraw/zinc/59/89/11/717598911.db2.gz NGMWTXYTRILMGR-ZDUSSCGKSA-N 2 1 360.527 3.492 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000640018292 717647159 /nfs/dbraw/zinc/64/71/59/717647159.db2.gz SVMABUGSACHAAT-UHFFFAOYSA-N 2 1 367.921 3.483 20 0 FGADMP CC[NH+](CC)CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000803907944 724482065 /nfs/dbraw/zinc/48/20/65/724482065.db2.gz ZWSNAMTYZWLIAE-KRWDZBQOSA-N 2 1 354.441 3.029 20 0 FGADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Nc1cccc(C(F)(F)F)c1 ZINC000644524196 718118780 /nfs/dbraw/zinc/11/87/80/718118780.db2.gz ZSHOCIRBABDEHA-GDBMZVCRSA-N 2 1 355.404 3.250 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646294981 718276018 /nfs/dbraw/zinc/27/60/18/718276018.db2.gz GLMYOLBPHDCWJT-KYABYICQSA-N 2 1 367.896 3.117 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@H]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646294981 718276020 /nfs/dbraw/zinc/27/60/20/718276020.db2.gz GLMYOLBPHDCWJT-KYABYICQSA-N 2 1 367.896 3.117 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000647542265 718366651 /nfs/dbraw/zinc/36/66/51/718366651.db2.gz AXVNUNKJDBXXRH-LSDHHAIUSA-N 2 1 358.404 3.068 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(F)(F)F ZINC000647542265 718366652 /nfs/dbraw/zinc/36/66/52/718366652.db2.gz AXVNUNKJDBXXRH-LSDHHAIUSA-N 2 1 358.404 3.068 20 0 FGADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc(C(F)(F)F)c1 ZINC000647814776 718379461 /nfs/dbraw/zinc/37/94/61/718379461.db2.gz FNWVROKEPIOHES-UHFFFAOYSA-N 2 1 355.404 3.250 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1c1ccccc1Cl ZINC000647978029 718391614 /nfs/dbraw/zinc/39/16/14/718391614.db2.gz LKOBNKKKGVHGOP-TXPKVOOTSA-N 2 1 361.917 3.157 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000649278911 718500821 /nfs/dbraw/zinc/50/08/21/718500821.db2.gz MVCMHFQBNAGXBL-RDJZCZTQSA-N 2 1 363.914 3.355 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1Br ZINC000650707720 718717739 /nfs/dbraw/zinc/71/77/39/718717739.db2.gz LTKMHAQGUFNNOF-XYJFISCASA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708243 718718035 /nfs/dbraw/zinc/71/80/35/718718035.db2.gz WETNRHRJHPKOIR-SRCQZFHVSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(Br)c2)C1 ZINC000650722693 718720656 /nfs/dbraw/zinc/72/06/56/718720656.db2.gz ZXYGJHPDYBWEGZ-ZACQAIPSSA-N 2 1 353.304 3.310 20 0 FGADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Cl)c1OC ZINC000650724082 718721126 /nfs/dbraw/zinc/72/11/26/718721126.db2.gz YCLNYJRCTANMCT-INMHGKMJSA-N 2 1 368.905 3.218 20 0 FGADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)s2)cn1 ZINC000650725334 718721656 /nfs/dbraw/zinc/72/16/56/718721656.db2.gz YPLXBKBLMPJAPE-CGTJXYLNSA-N 2 1 360.527 3.009 20 0 FGADMP CC[NH+](CCCNC(=O)N1CC[C@@H](C[N@H+](C)CC)C1)C1CCCCC1 ZINC000651219698 718783484 /nfs/dbraw/zinc/78/34/84/718783484.db2.gz FMKFXDPKJLXYSW-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@H+](CC)C2CCCCC2)C1 ZINC000651219698 718783487 /nfs/dbraw/zinc/78/34/87/718783487.db2.gz FMKFXDPKJLXYSW-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)NCCC[N@@H+](CC)C2CCCCC2)C1 ZINC000651219698 718783489 /nfs/dbraw/zinc/78/34/89/718783489.db2.gz FMKFXDPKJLXYSW-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000651459636 718816146 /nfs/dbraw/zinc/81/61/46/718816146.db2.gz RAPKYUFQIMTZHJ-UHFFFAOYSA-N 2 1 351.579 3.467 20 0 FGADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000651865774 718879486 /nfs/dbraw/zinc/87/94/86/718879486.db2.gz HHWCEASADFEUOH-UHFFFAOYSA-N 2 1 353.308 3.164 20 0 FGADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000651865774 718879492 /nfs/dbraw/zinc/87/94/92/718879492.db2.gz HHWCEASADFEUOH-UHFFFAOYSA-N 2 1 353.308 3.164 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@H]4C[C@@]4([NH3+])C3)c2c1C ZINC001164419630 718896363 /nfs/dbraw/zinc/89/63/63/718896363.db2.gz IJDCYRQKPSLQGQ-MGPUTAFESA-N 2 1 371.554 3.222 20 0 FGADMP CCOC(=O)C1CC[NH+](C2CCN(c3ccc4c([nH+]3)CCCC4)CC2)CC1 ZINC001164613734 719025293 /nfs/dbraw/zinc/02/52/93/719025293.db2.gz BBLNMPUCEWJZQC-UHFFFAOYSA-N 2 1 371.525 3.204 20 0 FGADMP C[C@@H](O)C[N@@H+](Cc1cc(Cl)cc(C[NH+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903577 719109494 /nfs/dbraw/zinc/10/94/94/719109494.db2.gz ISTDKWBTZALAOG-GASCZTMLSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H](O)C[NH+](Cc1cc(Cl)cc(C[N@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903577 719109498 /nfs/dbraw/zinc/10/94/98/719109498.db2.gz ISTDKWBTZALAOG-GASCZTMLSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H](O)C[NH+](Cc1cc(Cl)cc(C[N@@H+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903577 719109504 /nfs/dbraw/zinc/10/95/04/719109504.db2.gz ISTDKWBTZALAOG-GASCZTMLSA-N 2 1 366.933 3.030 20 0 FGADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655689911 719325850 /nfs/dbraw/zinc/32/58/50/719325850.db2.gz GIANRIBZNPRUEK-YLJYHZDGSA-N 2 1 365.949 3.176 20 0 FGADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Cl ZINC000655689909 719325995 /nfs/dbraw/zinc/32/59/95/719325995.db2.gz GIANRIBZNPRUEK-PXNSSMCTSA-N 2 1 365.949 3.176 20 0 FGADMP FC(F)(F)c1cccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655701083 719327208 /nfs/dbraw/zinc/32/72/08/719327208.db2.gz SEZSETUQCAKOKZ-SFHVURJKSA-N 2 1 356.432 3.481 20 0 FGADMP Brc1cccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655726838 719330384 /nfs/dbraw/zinc/33/03/84/719330384.db2.gz GOHCAMCJWVMVMK-GOSISDBHSA-N 2 1 367.331 3.225 20 0 FGADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731937 719331237 /nfs/dbraw/zinc/33/12/37/719331237.db2.gz WNDJBIHJUGZDKI-MOPGFXCFSA-N 2 1 352.906 3.261 20 0 FGADMP COCc1csc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000657285992 719618222 /nfs/dbraw/zinc/61/82/22/719618222.db2.gz KGCWDIAVPTVBSJ-QGZVFWFLSA-N 2 1 365.568 3.034 20 0 FGADMP C[NH2+][C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)c1cccc(Cl)c1Cl ZINC000659296547 719892626 /nfs/dbraw/zinc/89/26/26/719892626.db2.gz GEJDFPRBDVDAMN-GDBMZVCRSA-N 2 1 358.313 3.278 20 0 FGADMP C[NH2+][C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1cccc(Cl)c1Cl ZINC000659303451 719893578 /nfs/dbraw/zinc/89/35/78/719893578.db2.gz HQWHXSNYRFFCPY-QGZVFWFLSA-N 2 1 364.276 3.174 20 0 FGADMP CO[C@@H](C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993502 /nfs/dbraw/zinc/99/35/02/719993502.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@@H](C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993503 /nfs/dbraw/zinc/99/35/03/719993503.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 2 1 352.563 3.403 20 0 FGADMP CO[C@@H](C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CCC2)CC1)C1CCC1 ZINC000660124247 719993505 /nfs/dbraw/zinc/99/35/05/719993505.db2.gz GPCMFSVUDFRCOY-QHAWAJNXSA-N 2 1 352.563 3.403 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=S)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000782209569 724638787 /nfs/dbraw/zinc/63/87/87/724638787.db2.gz HEZOYGOFZXSBEY-LJQANCHMSA-N 2 1 368.635 3.179 20 0 FGADMP C[C@H]1C[N@@H+](CCSc2cccc(Cl)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660153730 719998308 /nfs/dbraw/zinc/99/83/08/719998308.db2.gz HEMAKDPUEBPUKJ-QFBILLFUSA-N 2 1 367.990 3.390 20 0 FGADMP Brc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662252656 720405222 /nfs/dbraw/zinc/40/52/22/720405222.db2.gz QHKSNYUMLKVXDE-HZPDHXFCSA-N 2 1 351.288 3.107 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc(F)ccc3OC(F)F)CC2)C1 ZINC000662280251 720408976 /nfs/dbraw/zinc/40/89/76/720408976.db2.gz BRSMBNYCVHCFSI-NVXWUHKLSA-N 2 1 358.404 3.145 20 0 FGADMP Fc1cc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280226 720408981 /nfs/dbraw/zinc/40/89/81/720408981.db2.gz NCBBHWILSZHUDO-CJNGLKHVSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280226 720408984 /nfs/dbraw/zinc/40/89/84/720408984.db2.gz NCBBHWILSZHUDO-CJNGLKHVSA-N 2 1 369.278 3.246 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc(F)c3OC(F)F)CC2)C1 ZINC000662281203 720409341 /nfs/dbraw/zinc/40/93/41/720409341.db2.gz JXEMILPSURUBJX-GDBMZVCRSA-N 2 1 358.404 3.145 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294215 720410985 /nfs/dbraw/zinc/41/09/85/720410985.db2.gz CBBSOAQLHJLIQN-YJBOKZPZSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)cc2)[C@@H]1CCC[NH3+] ZINC000662312993 720414231 /nfs/dbraw/zinc/41/42/31/720414231.db2.gz DXQUVPRNRBDPGK-CZUORRHYSA-N 2 1 355.429 3.066 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)c1ccccc1Cl ZINC000662343462 720417013 /nfs/dbraw/zinc/41/70/13/720417013.db2.gz RKMPMZFLXRMYQB-RBUKOAKNSA-N 2 1 357.885 3.294 20 0 FGADMP C[NH2+][C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1cccc(Cl)c1Cl ZINC000662384164 720423904 /nfs/dbraw/zinc/42/39/04/720423904.db2.gz LCMXNEZUPGDIMN-HNNXBMFYSA-N 2 1 358.313 3.245 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459538 720430845 /nfs/dbraw/zinc/43/08/45/720430845.db2.gz IYUGTOIUWBDYBU-CVEARBPZSA-N 2 1 361.555 3.120 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502777 720435967 /nfs/dbraw/zinc/43/59/67/720435967.db2.gz MPUGNFUSJJJRPX-NUTKFTJISA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1cccc(Cl)c1Cl ZINC000662502777 720435968 /nfs/dbraw/zinc/43/59/68/720435968.db2.gz MPUGNFUSJJJRPX-NUTKFTJISA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)NC1CC([NH+]2CCCCC2)C1)c1cccc(Cl)c1Cl ZINC000662533054 720439074 /nfs/dbraw/zinc/43/90/74/720439074.db2.gz IVYPZUROIYINGF-FVKWTLKZSA-N 2 1 370.324 3.387 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455775 720517230 /nfs/dbraw/zinc/51/72/30/720517230.db2.gz UDYNDHVZHNTBRJ-YOEHRIQHSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1Cl ZINC000663455775 720517234 /nfs/dbraw/zinc/51/72/34/720517234.db2.gz UDYNDHVZHNTBRJ-YOEHRIQHSA-N 2 1 366.937 3.115 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000665554066 720784639 /nfs/dbraw/zinc/78/46/39/720784639.db2.gz FFMJEZXRDYNJCX-IAGOWNOFSA-N 2 1 366.937 3.115 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665557048 720785679 /nfs/dbraw/zinc/78/56/79/720785679.db2.gz LISOETMIXJPLCD-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665557048 720785681 /nfs/dbraw/zinc/78/56/81/720785681.db2.gz LISOETMIXJPLCD-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000665557048 720785685 /nfs/dbraw/zinc/78/56/85/720785685.db2.gz LISOETMIXJPLCD-GOSISDBHSA-N 2 1 352.567 3.013 20 0 FGADMP CCSc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000666077893 720885237 /nfs/dbraw/zinc/88/52/37/720885237.db2.gz MMYHBSQRFOCFBB-HNNXBMFYSA-N 2 1 352.548 3.192 20 0 FGADMP CCSc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666077893 720885249 /nfs/dbraw/zinc/88/52/49/720885249.db2.gz MMYHBSQRFOCFBB-HNNXBMFYSA-N 2 1 352.548 3.192 20 0 FGADMP COc1cc2c[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)cc2cc1OC ZINC001164770182 721299817 /nfs/dbraw/zinc/29/98/17/721299817.db2.gz PTTYHWSBDYCMJM-UHFFFAOYSA-N 2 1 353.466 3.174 20 0 FGADMP COc1cc2c[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)cc2cc1OC ZINC001164770182 721299818 /nfs/dbraw/zinc/29/98/18/721299818.db2.gz PTTYHWSBDYCMJM-UHFFFAOYSA-N 2 1 353.466 3.174 20 0 FGADMP Cn1ccc2c1cc[nH+]c2N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164897078 721522962 /nfs/dbraw/zinc/52/29/62/721522962.db2.gz DPRHYBPLGZUKAO-AEFFLSMTSA-N 2 1 366.440 3.054 20 0 FGADMP C[N@@H+](Cc1ccc(Br)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801358 721916525 /nfs/dbraw/zinc/91/65/25/721916525.db2.gz KJGMHUKFSSUJEB-SFHVURJKSA-N 2 1 366.347 3.049 20 0 FGADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4cc(N)c(C)c[nH+]4)CC3)C2)cc1 ZINC001164938658 721930480 /nfs/dbraw/zinc/93/04/80/721930480.db2.gz CXDUFYMGOZDULR-UHFFFAOYSA-N 2 1 366.509 3.152 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Br ZINC000678074212 721937115 /nfs/dbraw/zinc/93/71/15/721937115.db2.gz CJHJEVBNGNHUKU-KRWDZBQOSA-N 2 1 367.331 3.491 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227226 722286661 /nfs/dbraw/zinc/28/66/61/722286661.db2.gz OUFICDQNNONNIZ-ZIAGYGMSSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227226 722286662 /nfs/dbraw/zinc/28/66/62/722286662.db2.gz OUFICDQNNONNIZ-ZIAGYGMSSA-N 2 1 361.313 3.149 20 0 FGADMP C[C@H](Cc1ccsc1)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000685460639 722386359 /nfs/dbraw/zinc/38/63/59/722386359.db2.gz DMHPTWPICSXKAB-KZNAEPCWSA-N 2 1 366.571 3.269 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)N[C@@H](C)c1cccs1 ZINC000726489991 722435556 /nfs/dbraw/zinc/43/55/56/722435556.db2.gz GTNFNKYGKMAGJJ-HOTGVXAUSA-N 2 1 368.616 3.032 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886328 722539031 /nfs/dbraw/zinc/53/90/31/722539031.db2.gz MDNPHMQJCYKEEU-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886328 722539032 /nfs/dbraw/zinc/53/90/32/722539032.db2.gz MDNPHMQJCYKEEU-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC000740886328 722539033 /nfs/dbraw/zinc/53/90/33/722539033.db2.gz MDNPHMQJCYKEEU-WMZOPIPTSA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]Cc2ccoc2)CC1 ZINC000742373779 722556625 /nfs/dbraw/zinc/55/66/25/722556625.db2.gz IZQIZLBQEHWNAZ-UHFFFAOYSA-N 2 1 353.388 3.340 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)cc1 ZINC000750734481 722779447 /nfs/dbraw/zinc/77/94/47/722779447.db2.gz GQBWAQUJZBUKQB-UZRURVBFSA-N 2 1 363.933 3.228 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cc(C)ccc1F ZINC000751012753 722790927 /nfs/dbraw/zinc/79/09/27/722790927.db2.gz YNYRBIRSYOLEBJ-INIZCTEOSA-N 2 1 366.550 3.179 20 0 FGADMP CCCC[N@H+]1Cc2cccc(NC(=S)NCC3CC[NH+](C)CC3)c2C1 ZINC000760481826 723058741 /nfs/dbraw/zinc/05/87/41/723058741.db2.gz FORGBAGNAWPTNI-UHFFFAOYSA-N 2 1 360.571 3.431 20 0 FGADMP CC[C@H]1C[N@H+](CCCn2cc[nH+]c2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000762927765 723293568 /nfs/dbraw/zinc/29/35/68/723293568.db2.gz WBBYPKLYKJGOEI-IRXDYDNUSA-N 2 1 350.507 3.207 20 0 FGADMP CC[C@H]1C[N@@H+](CCCn2cc[nH+]c2C)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000762927765 723293571 /nfs/dbraw/zinc/29/35/71/723293571.db2.gz WBBYPKLYKJGOEI-IRXDYDNUSA-N 2 1 350.507 3.207 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(Cn3c4ccccc4nc3SC(F)F)C2)C1 ZINC000793770151 723466254 /nfs/dbraw/zinc/46/62/54/723466254.db2.gz XKCUSGIBTRWALT-QGZVFWFLSA-N 2 1 352.454 3.336 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765259992 723499262 /nfs/dbraw/zinc/49/92/62/723499262.db2.gz QDAGHBSLWZCJCA-AYOQOUSVSA-N 2 1 354.922 3.100 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000765806411 723542025 /nfs/dbraw/zinc/54/20/25/723542025.db2.gz CCFKJKYEGPYQBS-UXPWSPDFSA-N 2 1 368.949 3.274 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCN(c3ccc(Cl)cc3)C2)s1 ZINC000796275815 723629590 /nfs/dbraw/zinc/62/95/90/723629590.db2.gz FDCXPCDCMSKUEX-AWEZNQCLSA-N 2 1 364.946 3.474 20 0 FGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796766822 723654109 /nfs/dbraw/zinc/65/41/09/723654109.db2.gz YDOCGLQYFKOSSX-KZNAEPCWSA-N 2 1 353.551 3.484 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514742 723688427 /nfs/dbraw/zinc/68/84/27/723688427.db2.gz LEIWZSLKFXZJAG-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514742 723688428 /nfs/dbraw/zinc/68/84/28/723688428.db2.gz LEIWZSLKFXZJAG-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514742 723688430 /nfs/dbraw/zinc/68/84/30/723688430.db2.gz LEIWZSLKFXZJAG-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000769514742 723688431 /nfs/dbraw/zinc/68/84/31/723688431.db2.gz LEIWZSLKFXZJAG-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635351 723912279 /nfs/dbraw/zinc/91/22/79/723912279.db2.gz CYFIIDWSVHSFAT-IFIJOSMWSA-N 2 1 373.310 3.426 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635351 723912284 /nfs/dbraw/zinc/91/22/84/723912284.db2.gz CYFIIDWSVHSFAT-IFIJOSMWSA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635351 723912287 /nfs/dbraw/zinc/91/22/87/723912287.db2.gz CYFIIDWSVHSFAT-IFIJOSMWSA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635351 723912292 /nfs/dbraw/zinc/91/22/92/723912292.db2.gz CYFIIDWSVHSFAT-IFIJOSMWSA-N 2 1 373.310 3.426 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983875 724379185 /nfs/dbraw/zinc/37/91/85/724379185.db2.gz ABEHODXRPQAESL-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000778983875 724379186 /nfs/dbraw/zinc/37/91/86/724379186.db2.gz ABEHODXRPQAESL-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@H]1CCC[C@H](C)[NH+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788592210 725074469 /nfs/dbraw/zinc/07/44/69/725074469.db2.gz ATQYPKYYQXXFMS-HOTGVXAUSA-N 2 1 351.535 3.238 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)[C@H](C)C1 ZINC000788612724 725076044 /nfs/dbraw/zinc/07/60/44/725076044.db2.gz VAGNPQORLDTMEK-PVAVHDDUSA-N 2 1 351.922 3.449 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)nc32)[C@H](C)C1 ZINC000788612724 725076045 /nfs/dbraw/zinc/07/60/45/725076045.db2.gz VAGNPQORLDTMEK-PVAVHDDUSA-N 2 1 351.922 3.449 20 0 FGADMP Cc1cc(Br)cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000809734223 725263491 /nfs/dbraw/zinc/26/34/91/725263491.db2.gz BIEVLWPVXYBZPJ-UHFFFAOYSA-N 2 1 368.363 3.215 20 0 FGADMP CC[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000812714991 726806114 /nfs/dbraw/zinc/80/61/14/726806114.db2.gz AZEMBMMZRSZUMJ-RCCFBDPRSA-N 2 1 353.551 3.486 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144095 727045122 /nfs/dbraw/zinc/04/51/22/727045122.db2.gz UFYBJQFCKGKGAQ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144095 727045123 /nfs/dbraw/zinc/04/51/23/727045123.db2.gz UFYBJQFCKGKGAQ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144095 727045124 /nfs/dbraw/zinc/04/51/24/727045124.db2.gz UFYBJQFCKGKGAQ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3cc(Cl)ccc3Cl)C2)C1 ZINC000815144095 727045125 /nfs/dbraw/zinc/04/51/25/727045125.db2.gz UFYBJQFCKGKGAQ-MAUKXSAKSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000817890438 727287264 /nfs/dbraw/zinc/28/72/64/727287264.db2.gz TWEZJLFOUDUGOS-MORSLUCNSA-N 2 1 352.400 3.287 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1nnc(-c2cccs2)o1 ZINC000871785010 735545783 /nfs/dbraw/zinc/54/57/83/735545783.db2.gz DVLJHLCZZPSZAH-WODVXLOZSA-N 2 1 361.471 3.230 20 0 FGADMP C[C@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1nnc(-c2cccs2)o1 ZINC000871785010 735545787 /nfs/dbraw/zinc/54/57/87/735545787.db2.gz DVLJHLCZZPSZAH-WODVXLOZSA-N 2 1 361.471 3.230 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820867032 729038807 /nfs/dbraw/zinc/03/88/07/729038807.db2.gz GTQVOIGFHVARMG-RBSFLKMASA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820867032 729038811 /nfs/dbraw/zinc/03/88/11/729038811.db2.gz GTQVOIGFHVARMG-RBSFLKMASA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867032 729038813 /nfs/dbraw/zinc/03/88/13/729038813.db2.gz GTQVOIGFHVARMG-RBSFLKMASA-N 2 1 361.477 3.046 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC(F)(F)CN2C(=O)OC(C)(C)C)CC[NH+]1C ZINC000820867032 729038817 /nfs/dbraw/zinc/03/88/17/729038817.db2.gz GTQVOIGFHVARMG-RBSFLKMASA-N 2 1 361.477 3.046 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822463651 729177604 /nfs/dbraw/zinc/17/76/04/729177604.db2.gz HRAFATYBOMXLRI-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574113 729431977 /nfs/dbraw/zinc/43/19/77/729431977.db2.gz YAZLRDCONWFZEG-CZUORRHYSA-N 2 1 366.937 3.060 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008494 729529639 /nfs/dbraw/zinc/52/96/39/729529639.db2.gz CTOYHTXGGSHHGZ-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008494 729529642 /nfs/dbraw/zinc/52/96/42/729529642.db2.gz CTOYHTXGGSHHGZ-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCCCCCNC(=O)OC(C)(C)C)C2)C1 ZINC000830008494 729529645 /nfs/dbraw/zinc/52/96/45/729529645.db2.gz CTOYHTXGGSHHGZ-HXUWFJFHSA-N 2 1 353.551 3.489 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000831481858 729645377 /nfs/dbraw/zinc/64/53/77/729645377.db2.gz WBMPCLJDMHPQCM-KSSFIOAISA-N 2 1 355.885 3.107 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832646364 729724984 /nfs/dbraw/zinc/72/49/84/729724984.db2.gz XAANHWPVFOMKRV-MRXNPFEDSA-N 2 1 350.507 3.349 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401672 730712976 /nfs/dbraw/zinc/71/29/76/730712976.db2.gz NZAOIMCWPMQZTE-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401672 730712978 /nfs/dbraw/zinc/71/29/78/730712978.db2.gz NZAOIMCWPMQZTE-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)[C@@H]1CCNC(=O)OC(C)(C)C ZINC000844401672 730712979 /nfs/dbraw/zinc/71/29/79/730712979.db2.gz NZAOIMCWPMQZTE-KZNAEPCWSA-N 2 1 353.551 3.486 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2ccccc2s1 ZINC000848533114 731176964 /nfs/dbraw/zinc/17/69/64/731176964.db2.gz OEHLUNZXWKESHR-MSOLQXFVSA-N 2 1 360.523 3.168 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1 ZINC000849091096 731228102 /nfs/dbraw/zinc/22/81/02/731228102.db2.gz IZTAFVUQFFPQOH-CYBMUJFWSA-N 2 1 358.408 3.074 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCC2)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000849111725 731230355 /nfs/dbraw/zinc/23/03/55/731230355.db2.gz BZIXVLFPMLFUDK-GOEBONIOSA-N 2 1 354.420 3.318 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000850395740 731351911 /nfs/dbraw/zinc/35/19/11/731351911.db2.gz BYQQCWVTSWNDOS-QGZVFWFLSA-N 2 1 353.304 3.100 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000850433812 731357065 /nfs/dbraw/zinc/35/70/65/731357065.db2.gz QUXBFCWKHOFMIG-KURKYZTESA-N 2 1 356.432 3.479 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000850433812 731357066 /nfs/dbraw/zinc/35/70/66/731357066.db2.gz QUXBFCWKHOFMIG-KURKYZTESA-N 2 1 356.432 3.479 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H]3Sc4ccccc4NC3=O)C2)CC1 ZINC000852009109 731532028 /nfs/dbraw/zinc/53/20/28/731532028.db2.gz YRANGKITZPBJML-GOSISDBHSA-N 2 1 359.539 3.297 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000853084189 731662268 /nfs/dbraw/zinc/66/22/68/731662268.db2.gz AXXUQMXKUFEAEY-KRWDZBQOSA-N 2 1 351.535 3.098 20 0 FGADMP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584811 732040176 /nfs/dbraw/zinc/04/01/76/732040176.db2.gz RZUYSTBWAJUMEC-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584811 732040181 /nfs/dbraw/zinc/04/01/81/732040181.db2.gz RZUYSTBWAJUMEC-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584811 732040184 /nfs/dbraw/zinc/04/01/84/732040184.db2.gz RZUYSTBWAJUMEC-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3nc(C)c(C)s3)C2)ccn1 ZINC000856584811 732040188 /nfs/dbraw/zinc/04/01/88/732040188.db2.gz RZUYSTBWAJUMEC-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@@H]2CCN(Cc3cncc(Cl)c3)C2)ccn1 ZINC000856765528 732056305 /nfs/dbraw/zinc/05/63/05/732056305.db2.gz HMCKGOGNKSKINE-LJQANCHMSA-N 2 1 360.889 3.235 20 0 FGADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2Br)c1 ZINC000858112849 732181892 /nfs/dbraw/zinc/18/18/92/732181892.db2.gz LJCFNNOJBUJNBN-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2Br)c1 ZINC000858112849 732181899 /nfs/dbraw/zinc/18/18/99/732181899.db2.gz LJCFNNOJBUJNBN-UHFFFAOYSA-N 2 1 365.319 3.313 20 0 FGADMP COC[C@@H]1CCC[NH+](CC[Si](C)(C)CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000859140837 732282569 /nfs/dbraw/zinc/28/25/69/732282569.db2.gz XDCIHYIUIJFWQQ-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP COC[C@@H]1CCC[N@@H+](CC[Si](C)(C)CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000859140837 732282570 /nfs/dbraw/zinc/28/25/70/732282570.db2.gz XDCIHYIUIJFWQQ-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP COC[C@@H]1CCC[N@H+](CC[Si](C)(C)CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000859140837 732282571 /nfs/dbraw/zinc/28/25/71/732282571.db2.gz XDCIHYIUIJFWQQ-BGYRXZFFSA-N 2 1 370.654 3.412 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859962275 732424724 /nfs/dbraw/zinc/42/47/24/732424724.db2.gz NJYKEXQDOUGRDS-QGPMSJSTSA-N 2 1 367.331 3.084 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1C[C@H](O)C[NH+]1CCCC1 ZINC000859962275 732424728 /nfs/dbraw/zinc/42/47/28/732424728.db2.gz NJYKEXQDOUGRDS-QGPMSJSTSA-N 2 1 367.331 3.084 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872053795 735582172 /nfs/dbraw/zinc/58/21/72/735582172.db2.gz NDPUMUCOUXOKMM-WMZOPIPTSA-N 2 1 365.315 3.378 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C(F)(F)F ZINC000872151062 735596244 /nfs/dbraw/zinc/59/62/44/735596244.db2.gz UFSQCCFWVYSHKE-DGCLKSJQSA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@H]1C(F)(F)F ZINC000872151062 735596251 /nfs/dbraw/zinc/59/62/51/735596251.db2.gz UFSQCCFWVYSHKE-DGCLKSJQSA-N 2 1 374.794 3.002 20 0 FGADMP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nc(C2CC2)n(C)c1=S ZINC000872745733 735670816 /nfs/dbraw/zinc/67/08/16/735670816.db2.gz GELLQDQRTQGBNV-UHFFFAOYSA-N 2 1 351.564 3.086 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(C2CC2)n(C)c1=S ZINC000872745733 735670817 /nfs/dbraw/zinc/67/08/17/735670817.db2.gz GELLQDQRTQGBNV-UHFFFAOYSA-N 2 1 351.564 3.086 20 0 FGADMP CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(C(=O)N(C)C)cc1 ZINC000873208855 735738633 /nfs/dbraw/zinc/73/86/33/735738633.db2.gz WBLIAEDUNCLQOI-UHFFFAOYSA-N 2 1 357.523 3.118 20 0 FGADMP C[S@](=O)CCC[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000877051995 736181385 /nfs/dbraw/zinc/18/13/85/736181385.db2.gz QCRVPECTDCKQMU-RDPSFJRHSA-N 2 1 350.572 3.283 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877642794 736698920 /nfs/dbraw/zinc/69/89/20/736698920.db2.gz UMAPUYVUQWJVBQ-ZDUSSCGKSA-N 2 1 353.919 3.492 20 0 FGADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3nc(Cl)ccc3s2)CCO1 ZINC000877642794 736698921 /nfs/dbraw/zinc/69/89/21/736698921.db2.gz UMAPUYVUQWJVBQ-ZDUSSCGKSA-N 2 1 353.919 3.492 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743201 736713384 /nfs/dbraw/zinc/71/33/84/736713384.db2.gz IWPOQPXFDVAGBL-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743201 736713389 /nfs/dbraw/zinc/71/33/89/736713389.db2.gz IWPOQPXFDVAGBL-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743201 736713398 /nfs/dbraw/zinc/71/33/98/736713398.db2.gz IWPOQPXFDVAGBL-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC3CCN(C(=O)OC(C)(C)C)CC3)CC[C@@H]21 ZINC000877743201 736713403 /nfs/dbraw/zinc/71/34/03/736713403.db2.gz IWPOQPXFDVAGBL-MSOLQXFVSA-N 2 1 351.535 3.050 20 0 FGADMP C([C@H]1CCC2(CCOCC2)O1)[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000878050132 736764009 /nfs/dbraw/zinc/76/40/09/736764009.db2.gz QWGPZKVOKLEQGV-WOJBJXKFSA-N 2 1 350.547 3.303 20 0 FGADMP CCC1([NH+]2CCCC2)CC[NH+](CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000879209289 736969048 /nfs/dbraw/zinc/96/90/48/736969048.db2.gz IWKOBPPELPMDTK-UHFFFAOYSA-N 2 1 351.535 3.194 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000884346844 737657479 /nfs/dbraw/zinc/65/74/79/737657479.db2.gz CFLVOKZWVGGLKJ-RTBURBONSA-N 2 1 362.587 3.018 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(C)(C)CC(F)(F)F)CC1 ZINC000888379143 739512625 /nfs/dbraw/zinc/51/26/25/739512625.db2.gz LDAJJNPQLYGYEF-UHFFFAOYSA-N 2 1 358.408 3.141 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC000892606866 740022308 /nfs/dbraw/zinc/02/23/08/740022308.db2.gz FTWJKJWMZKLGKC-GCSSGZNBSA-N 2 1 362.436 3.113 20 0 FGADMP F[C@H]1CC2(CC[C@H]1[NH2+]C1CC[NH+](CC3CCCCC3)CC1)OCCO2 ZINC000892775598 740042009 /nfs/dbraw/zinc/04/20/09/740042009.db2.gz XLKBEKKRRCMQDW-RBUKOAKNSA-N 2 1 354.510 3.254 20 0 FGADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3C[C@]3(C)Br)CCCC2)CC1 ZINC000892971772 740064539 /nfs/dbraw/zinc/06/45/39/740064539.db2.gz UFIDESVUXRUHRO-ZBFHGGJFSA-N 2 1 359.352 3.173 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)s1 ZINC000893327877 742141044 /nfs/dbraw/zinc/14/10/44/742141044.db2.gz QVKHUWMFFCSWJQ-UHFFFAOYSA-N 2 1 361.511 3.450 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)s1 ZINC000893327877 742141045 /nfs/dbraw/zinc/14/10/45/742141045.db2.gz QVKHUWMFFCSWJQ-UHFFFAOYSA-N 2 1 361.511 3.450 20 0 FGADMP CCOC(=O)c1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)s1 ZINC000893331881 742141539 /nfs/dbraw/zinc/14/15/39/742141539.db2.gz PMXKCVHQMLGDEZ-UHFFFAOYSA-N 2 1 359.495 3.205 20 0 FGADMP C[C@@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000899875849 743023880 /nfs/dbraw/zinc/02/38/80/743023880.db2.gz ZDDFYHFEAXKGSB-BDJLRTHQSA-N 2 1 355.360 3.264 20 0 FGADMP C[C@@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000899875849 743023892 /nfs/dbraw/zinc/02/38/92/743023892.db2.gz ZDDFYHFEAXKGSB-BDJLRTHQSA-N 2 1 355.360 3.264 20 0 FGADMP CCOC(=O)c1csc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783376 743883584 /nfs/dbraw/zinc/88/35/84/743883584.db2.gz XSBPTEXPVSCCGI-GOEBONIOSA-N 2 1 365.543 3.439 20 0 FGADMP CCOC(=O)c1csc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000903783376 743883589 /nfs/dbraw/zinc/88/35/89/743883589.db2.gz XSBPTEXPVSCCGI-GOEBONIOSA-N 2 1 365.543 3.439 20 0 FGADMP COc1cc(C[N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c(SC)cc1OC ZINC000903895013 743893842 /nfs/dbraw/zinc/89/38/42/743893842.db2.gz JOVSKPRREAPSFX-VHRNVKJDSA-N 2 1 350.528 3.388 20 0 FGADMP CC1CC[NH+](Cc2ccc(-c3noc(C[C@H]([NH3+])C(F)F)n3)cc2)CC1 ZINC000904666703 743967665 /nfs/dbraw/zinc/96/76/65/743967665.db2.gz UCMVEVVAFMSMEQ-HNNXBMFYSA-N 2 1 350.413 3.103 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130990 743995143 /nfs/dbraw/zinc/99/51/43/743995143.db2.gz BJXVRTRHIACXNV-LMMKCTJWSA-N 2 1 366.571 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)[C@H]1c1cccs1 ZINC000905130990 743995145 /nfs/dbraw/zinc/99/51/45/743995145.db2.gz BJXVRTRHIACXNV-LMMKCTJWSA-N 2 1 366.571 3.167 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1sccc1Br)C2 ZINC000922386203 758909183 /nfs/dbraw/zinc/90/91/83/758909183.db2.gz DHAHSJZKSZQMLX-VDERGJSUSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386805 758909414 /nfs/dbraw/zinc/90/94/14/758909414.db2.gz IRWZCYPOXMOFAU-RRCSTGOVSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387784 758910328 /nfs/dbraw/zinc/91/03/28/758910328.db2.gz AZHWGYVNEZNSNR-XOUADPBQSA-N 2 1 362.461 3.336 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C/C=C\c1ccc(F)c(F)c1)C2 ZINC000922387733 758910501 /nfs/dbraw/zinc/91/05/01/758910501.db2.gz AKEFHBFQDJDJNI-ZESFDBNRSA-N 2 1 350.453 3.047 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cscc1Br)C2 ZINC000922390128 758910560 /nfs/dbraw/zinc/91/05/60/758910560.db2.gz KUPAXNISTHIDOP-FPCVCCKLSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Cl)cc(Cl)c1N)C2 ZINC000922391535 758911808 /nfs/dbraw/zinc/91/18/08/758911808.db2.gz WIYVYWQAORYLRH-JOCBIADPSA-N 2 1 372.340 3.145 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@@H]1C(C)C ZINC000922393592 758912531 /nfs/dbraw/zinc/91/25/31/758912531.db2.gz MCDQQGLWNYCZES-YRXWBPOGSA-N 2 1 356.432 3.063 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(SC)s3)C2)[C@H]1C(C)C ZINC000922396085 758914735 /nfs/dbraw/zinc/91/47/35/758914735.db2.gz ZZBKMZARVNLMRB-AHCXZYCDSA-N 2 1 354.585 3.429 20 0 FGADMP Brc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CC3(C[NH2+]C3)CO2)s1 ZINC000923375745 759108073 /nfs/dbraw/zinc/10/80/73/759108073.db2.gz DAFABLAMHHRLLV-NWDGAFQWSA-N 2 1 357.317 3.026 20 0 FGADMP C[C@H]([NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000925828234 759552938 /nfs/dbraw/zinc/55/29/38/759552938.db2.gz VNKPSRHGXZGVTN-DZJNRPSUSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@H](N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000925828234 759552941 /nfs/dbraw/zinc/55/29/41/759552941.db2.gz VNKPSRHGXZGVTN-DZJNRPSUSA-N 2 1 355.448 3.027 20 0 FGADMP C[C@H](N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000925828234 759552946 /nfs/dbraw/zinc/55/29/46/759552946.db2.gz VNKPSRHGXZGVTN-DZJNRPSUSA-N 2 1 355.448 3.027 20 0 FGADMP Cc1cccc(Cl)c1NC(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926092571 759641513 /nfs/dbraw/zinc/64/15/13/759641513.db2.gz ACDWWBKZOABOIH-IYBDPMFKSA-N 2 1 362.905 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926915711 759847798 /nfs/dbraw/zinc/84/77/98/759847798.db2.gz LTYCOPNZYQVUBL-QAETUUGQSA-N 2 1 366.468 3.213 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000931348457 760834720 /nfs/dbraw/zinc/83/47/20/760834720.db2.gz HEKKMYPNSAHYAI-CRAIPNDOSA-N 2 1 354.922 3.195 20 0 FGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000931356572 760838033 /nfs/dbraw/zinc/83/80/33/760838033.db2.gz MBNLIJPPHJBBML-UHFFFAOYSA-N 2 1 368.319 3.194 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000932205812 761087349 /nfs/dbraw/zinc/08/73/49/761087349.db2.gz RNGAYZCEQNLRAM-HNNXBMFYSA-N 2 1 350.260 3.229 20 0 FGADMP Cc1cccc(Cl)c1C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971563650 762913632 /nfs/dbraw/zinc/91/36/32/762913632.db2.gz PLPHDOAHMZCNJL-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971563650 762913635 /nfs/dbraw/zinc/91/36/35/762913635.db2.gz PLPHDOAHMZCNJL-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971563650 762913638 /nfs/dbraw/zinc/91/36/38/762913638.db2.gz PLPHDOAHMZCNJL-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971563650 762913640 /nfs/dbraw/zinc/91/36/40/762913640.db2.gz PLPHDOAHMZCNJL-IXDOHACOSA-N 2 1 363.933 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]Cc3ccc(C)cc3Cl)C2)CC[N@H+]1C ZINC001018872699 765847464 /nfs/dbraw/zinc/84/74/64/765847464.db2.gz GIQWFLVVFXNFTK-JENIJYKNSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001023994131 766047401 /nfs/dbraw/zinc/04/74/01/766047401.db2.gz ZIPNOJZRVADESV-SZVBFZGTSA-N 2 1 363.933 3.008 20 0 FGADMP Cc1cc(C[NH2+]C2CCC(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001026496579 766074819 /nfs/dbraw/zinc/07/48/19/766074819.db2.gz KZSCAWVJQMBILE-YOODTLSXSA-N 2 1 363.571 3.222 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892427 766104321 /nfs/dbraw/zinc/10/43/21/766104321.db2.gz VUGTZVAYDAIHPN-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892427 766104322 /nfs/dbraw/zinc/10/43/22/766104322.db2.gz VUGTZVAYDAIHPN-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892427 766104327 /nfs/dbraw/zinc/10/43/27/766104327.db2.gz VUGTZVAYDAIHPN-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001033096754 766206767 /nfs/dbraw/zinc/20/67/67/766206767.db2.gz PXYYNQLONSGNHJ-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001033096754 766206770 /nfs/dbraw/zinc/20/67/70/766206770.db2.gz PXYYNQLONSGNHJ-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001033096754 766206775 /nfs/dbraw/zinc/20/67/75/766206775.db2.gz PXYYNQLONSGNHJ-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3sccc3Cl)C2)CC[NH+]1C ZINC001033096754 766206776 /nfs/dbraw/zinc/20/67/76/766206776.db2.gz PXYYNQLONSGNHJ-OFQRWUPVSA-N 2 1 369.962 3.165 20 0 FGADMP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2cc(C)sc2C)C1 ZINC001033836835 766223694 /nfs/dbraw/zinc/22/36/94/766223694.db2.gz FFCOIUXMRPJGST-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001033836835 766223699 /nfs/dbraw/zinc/22/36/99/766223699.db2.gz FFCOIUXMRPJGST-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2cc(C)sc2C)C1 ZINC001033836835 766223705 /nfs/dbraw/zinc/22/37/05/766223705.db2.gz FFCOIUXMRPJGST-ATZDWAIDSA-N 2 1 363.571 3.128 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001034215215 766232713 /nfs/dbraw/zinc/23/27/13/766232713.db2.gz XIPDBPVUIOPPCM-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001034215215 766232715 /nfs/dbraw/zinc/23/27/15/766232715.db2.gz XIPDBPVUIOPPCM-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001034215215 766232716 /nfs/dbraw/zinc/23/27/16/766232716.db2.gz XIPDBPVUIOPPCM-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001052394003 766899143 /nfs/dbraw/zinc/89/91/43/766899143.db2.gz SYPRAAXEPYEPCV-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)s3)CC2)CC[NH+]1C ZINC001052394003 766899159 /nfs/dbraw/zinc/89/91/59/766899159.db2.gz SYPRAAXEPYEPCV-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)CC2)CC[NH+]1C ZINC001052394003 766899171 /nfs/dbraw/zinc/89/91/71/766899171.db2.gz SYPRAAXEPYEPCV-IJEWVQPXSA-N 2 1 369.962 3.212 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc12 ZINC000359990214 223143134 /nfs/dbraw/zinc/14/31/34/223143134.db2.gz AQRXMUZPFLZBEW-LSDHHAIUSA-N 2 1 363.303 3.122 20 0 FGADMP Cc1cc(Br)cn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc12 ZINC000359990214 223143137 /nfs/dbraw/zinc/14/31/37/223143137.db2.gz AQRXMUZPFLZBEW-LSDHHAIUSA-N 2 1 363.303 3.122 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000071935636 221388247 /nfs/dbraw/zinc/38/82/47/221388247.db2.gz SESJFRJQVCMKKM-OAQYLSRUSA-N 2 1 372.557 3.197 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000071935636 221388250 /nfs/dbraw/zinc/38/82/50/221388250.db2.gz SESJFRJQVCMKKM-OAQYLSRUSA-N 2 1 372.557 3.197 20 0 FGADMP Cc1cc(NC(=O)NCC2=CC[N@@H+](C)CC2)cnc1N1CCCC[C@H]1C ZINC000540949432 503950511 /nfs/dbraw/zinc/95/05/11/503950511.db2.gz DNGKANPZQGQXGB-MRXNPFEDSA-N 2 1 357.502 3.152 20 0 FGADMP C[N@H+]1CCCC12CCN([C@H](C(=O)N1CCCCC1)c1ccccc1)CC2 ZINC000540299328 503731593 /nfs/dbraw/zinc/73/15/93/503731593.db2.gz ZMBCCTXKPKWMDJ-FQEVSTJZSA-N 2 1 355.526 3.300 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000567940457 505580089 /nfs/dbraw/zinc/58/00/89/505580089.db2.gz YHKYQCHLCCTIDX-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000567940457 505580094 /nfs/dbraw/zinc/58/00/94/505580094.db2.gz YHKYQCHLCCTIDX-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000567940457 505580098 /nfs/dbraw/zinc/58/00/98/505580098.db2.gz YHKYQCHLCCTIDX-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573682344 505596562 /nfs/dbraw/zinc/59/65/62/505596562.db2.gz VIWCZVAYTDLHHJ-IHPCNDPISA-N 2 1 355.526 3.065 20 0 FGADMP NC(=O)[C@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000573682344 505596564 /nfs/dbraw/zinc/59/65/64/505596564.db2.gz VIWCZVAYTDLHHJ-IHPCNDPISA-N 2 1 355.526 3.065 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3c(s2)CCCCC3)CC1 ZINC000573748658 505610478 /nfs/dbraw/zinc/61/04/78/505610478.db2.gz DXEDMDUBMHLFTC-UHFFFAOYSA-N 2 1 370.522 3.416 20 0 FGADMP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Nc1ccccn1 ZINC000573788471 505621271 /nfs/dbraw/zinc/62/12/71/505621271.db2.gz XAWJLMKKLGAGHI-ACDBMABISA-N 2 1 364.493 3.195 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)CC[N@H+]1Cc1ccccc1 ZINC000568200869 505642077 /nfs/dbraw/zinc/64/20/77/505642077.db2.gz BOWNDHMLRKRLOD-QUCCMNQESA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200869 505642078 /nfs/dbraw/zinc/64/20/78/505642078.db2.gz BOWNDHMLRKRLOD-QUCCMNQESA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[N@H+]2CCC(C)(C)C2)CC[NH+]1Cc1ccccc1 ZINC000568200869 505642083 /nfs/dbraw/zinc/64/20/83/505642083.db2.gz BOWNDHMLRKRLOD-QUCCMNQESA-N 2 1 357.542 3.230 20 0 FGADMP Cc1cccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)N2CCOCC2)c1 ZINC000573911859 505649157 /nfs/dbraw/zinc/64/91/57/505649157.db2.gz XDJPBYULECTZSD-BDTNDASRSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(Br)cn1 ZINC000580024606 505663851 /nfs/dbraw/zinc/66/38/51/505663851.db2.gz FHOQYVBWOTVHCV-QLFBSQMISA-N 2 1 370.335 3.384 20 0 FGADMP Cn1c[nH+]cc1CCC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000573978756 505665122 /nfs/dbraw/zinc/66/51/22/505665122.db2.gz DONFGDIIMWECOW-LJQANCHMSA-N 2 1 372.900 3.454 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)Nc2cccnc2)C[N@H+]1Cc1ccccc1 ZINC000571158781 505668285 /nfs/dbraw/zinc/66/82/85/505668285.db2.gz WQIIBSJJSBKQKI-UYAOXDASSA-N 2 1 366.509 3.301 20 0 FGADMP Cc1cc(N2CCC([N@@H+](C)Cc3nc4ccccc4n3C)CC2)nc(C)[nH+]1 ZINC000080967848 493803998 /nfs/dbraw/zinc/80/39/98/493803998.db2.gz YOQVKBBSKSJBDB-UHFFFAOYSA-N 2 1 364.497 3.081 20 0 FGADMP Cc1cc(N2CCC([N@H+](C)Cc3nc4ccccc4n3C)CC2)nc(C)[nH+]1 ZINC000080967848 493804002 /nfs/dbraw/zinc/80/40/02/493804002.db2.gz YOQVKBBSKSJBDB-UHFFFAOYSA-N 2 1 364.497 3.081 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000068369949 493806154 /nfs/dbraw/zinc/80/61/54/493806154.db2.gz LUXJLCZUSDEMNZ-QFIPXVFZSA-N 2 1 365.521 3.460 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccsc1 ZINC000076057481 493814815 /nfs/dbraw/zinc/81/48/15/493814815.db2.gz ONDGEVPCSGPAQY-SFHVURJKSA-N 2 1 366.575 3.257 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000577221562 505690746 /nfs/dbraw/zinc/69/07/46/505690746.db2.gz YUBAJNGISKVXSR-COMQUAJESA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000577221562 505690747 /nfs/dbraw/zinc/69/07/47/505690747.db2.gz YUBAJNGISKVXSR-COMQUAJESA-N 2 1 355.404 3.092 20 0 FGADMP CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000061185718 493968241 /nfs/dbraw/zinc/96/82/41/493968241.db2.gz IUYAZSOXWRRETO-HXUWFJFHSA-N 2 1 372.557 3.215 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000069620537 493989266 /nfs/dbraw/zinc/98/92/66/493989266.db2.gz GBYWURLCWFDMMO-FQEVSTJZSA-N 2 1 372.557 3.339 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000052442091 494026385 /nfs/dbraw/zinc/02/63/85/494026385.db2.gz BXTYOXUPCPHAEU-FQEVSTJZSA-N 2 1 373.541 3.070 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCOC2CCCCCC2)CC1 ZINC000077274493 494046060 /nfs/dbraw/zinc/04/60/60/494046060.db2.gz HBQRMKIIFGHOEU-PMACEKPBSA-N 2 1 351.579 3.216 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(I)cc2)C1 ZINC000037644495 494108378 /nfs/dbraw/zinc/10/83/78/494108378.db2.gz OKLKXVMMDSEPOW-QWHCGFSZSA-N 2 1 358.267 3.284 20 0 FGADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000574133205 505701156 /nfs/dbraw/zinc/70/11/56/505701156.db2.gz YCBWQOHZYVFZCV-AZUAARDMSA-N 2 1 367.497 3.437 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000086167119 494143140 /nfs/dbraw/zinc/14/31/40/494143140.db2.gz AOPHFTCQEJQREQ-INIZCTEOSA-N 2 1 355.486 3.027 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086249084 494147104 /nfs/dbraw/zinc/14/71/04/494147104.db2.gz DZBURXRNZDROLG-INIZCTEOSA-N 2 1 374.554 3.433 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000086393632 494151257 /nfs/dbraw/zinc/15/12/57/494151257.db2.gz GIGWGMXOIXSEND-HUUCEWRRSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000086393632 494151261 /nfs/dbraw/zinc/15/12/61/494151261.db2.gz GIGWGMXOIXSEND-HUUCEWRRSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000086428626 494153677 /nfs/dbraw/zinc/15/36/77/494153677.db2.gz WYQWBLJLCWZSIT-QSFXBCCZSA-N 2 1 369.513 3.414 20 0 FGADMP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000072884104 494275444 /nfs/dbraw/zinc/27/54/44/494275444.db2.gz IHQKVNWBQJCYHM-JOCHJYFZSA-N 2 1 371.569 3.306 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000078523121 494313261 /nfs/dbraw/zinc/31/32/61/494313261.db2.gz SSCZEDVZGLAYOW-AZUAARDMSA-N 2 1 360.546 3.017 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000073437399 494371029 /nfs/dbraw/zinc/37/10/29/494371029.db2.gz CUDZEBFMOYYPBP-AEFFLSMTSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000577377645 505716788 /nfs/dbraw/zinc/71/67/88/505716788.db2.gz SNERDOSCGSSEEP-FCHUYYIVSA-N 2 1 365.521 3.404 20 0 FGADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000577382550 505717736 /nfs/dbraw/zinc/71/77/36/505717736.db2.gz XCLMIKOSFVFIDF-SFTDATJTSA-N 2 1 350.510 3.394 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000073628283 494404120 /nfs/dbraw/zinc/40/41/20/494404120.db2.gz MABRBKLUDOJNHX-OAQYLSRUSA-N 2 1 372.557 3.298 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000079192887 494416891 /nfs/dbraw/zinc/41/68/91/494416891.db2.gz ZLPPRCSZCZMMDE-LJQANCHMSA-N 2 1 372.513 3.224 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000090003354 494426160 /nfs/dbraw/zinc/42/61/60/494426160.db2.gz VCAALHKDZAIPBE-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)c1C ZINC000090003354 494426164 /nfs/dbraw/zinc/42/61/64/494426164.db2.gz VCAALHKDZAIPBE-ZWKOTPCHSA-N 2 1 354.498 3.319 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073819634 494433831 /nfs/dbraw/zinc/43/38/31/494433831.db2.gz HNCILGIWFXBYBL-RXVVDRJESA-N 2 1 372.557 3.243 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCC2 ZINC000090526656 494479107 /nfs/dbraw/zinc/47/91/07/494479107.db2.gz FNMUMJZCLYIMFE-NJAFHUGGSA-N 2 1 363.571 3.440 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000090721072 494494431 /nfs/dbraw/zinc/49/44/31/494494431.db2.gz ONEXHLISACOFHC-DGCLKSJQSA-N 2 1 357.292 3.039 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Br)c1OC ZINC000090721072 494494428 /nfs/dbraw/zinc/49/44/28/494494428.db2.gz ONEXHLISACOFHC-DGCLKSJQSA-N 2 1 357.292 3.039 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)Nc2ccc(OCC[N@H+]3CC[C@H](C)C3)cc2)CC1 ZINC000074232979 494502012 /nfs/dbraw/zinc/50/20/12/494502012.db2.gz OJERTPUVYSYUJQ-SFHVURJKSA-N 2 1 373.541 3.466 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000074319648 494519049 /nfs/dbraw/zinc/51/90/49/494519049.db2.gz NNMHCHQUQLXCNW-OAQYLSRUSA-N 2 1 357.542 3.450 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000079849077 494535274 /nfs/dbraw/zinc/53/52/74/494535274.db2.gz MKDXSEUAIJFFTR-UHFFFAOYSA-N 2 1 361.534 3.070 20 0 FGADMP CCOc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000067452992 494544658 /nfs/dbraw/zinc/54/46/58/494544658.db2.gz SMNSKMGIIRXQBE-CALCHBBNSA-N 2 1 350.503 3.073 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCCCn1cc[nH+]c1C)c1ccsc1 ZINC000079981587 494562828 /nfs/dbraw/zinc/56/28/28/494562828.db2.gz YGCVIRKWMUYASQ-KRWDZBQOSA-N 2 1 363.531 3.025 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080055182 494578151 /nfs/dbraw/zinc/57/81/51/494578151.db2.gz VGTNIQBDYATOSI-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[NH+]1CC[C@H](CNc2nc(NC[C@@H]3CC[N@H+](CCC)C3)ncc2C)C1 ZINC000091457799 494603419 /nfs/dbraw/zinc/60/34/19/494603419.db2.gz DWNBXZCUAINQMH-MOPGFXCFSA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@@H](CNc2ncc(C)c(NC[C@H]3CC[N@H+](CCC)C3)n2)C1 ZINC000091457799 494603425 /nfs/dbraw/zinc/60/34/25/494603425.db2.gz DWNBXZCUAINQMH-MOPGFXCFSA-N 2 1 374.577 3.073 20 0 FGADMP CCC[NH+]1CC[C@@H](CNc2ncc(C)c(NC[C@H]3CC[N@@H+](CCC)C3)n2)C1 ZINC000091457799 494603432 /nfs/dbraw/zinc/60/34/32/494603432.db2.gz DWNBXZCUAINQMH-MOPGFXCFSA-N 2 1 374.577 3.073 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000067686597 494610935 /nfs/dbraw/zinc/61/09/35/494610935.db2.gz BCQUVUQCIAJEHN-HXUWFJFHSA-N 2 1 360.546 3.058 20 0 FGADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000057169607 494665408 /nfs/dbraw/zinc/66/54/08/494665408.db2.gz OLPYDPQKEGFOGG-QFIPXVFZSA-N 2 1 365.521 3.277 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1 ZINC000126307021 494703594 /nfs/dbraw/zinc/70/35/94/494703594.db2.gz JAUIEXWAWRKUJW-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000126307021 494703603 /nfs/dbraw/zinc/70/36/03/494703603.db2.gz JAUIEXWAWRKUJW-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000126307021 494703610 /nfs/dbraw/zinc/70/36/10/494703610.db2.gz JAUIEXWAWRKUJW-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP COC(=O)c1occc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821552 494763198 /nfs/dbraw/zinc/76/31/98/494763198.db2.gz LXRIHWQSNLSFFK-UHFFFAOYSA-N 2 1 357.454 3.200 20 0 FGADMP COc1cccc2c(N3CCC(C[NH+]4CCOCC4)CC3)cc(C)[nH+]c12 ZINC000121476818 494772977 /nfs/dbraw/zinc/77/29/77/494772977.db2.gz UVPVKPBECBMHCD-UHFFFAOYSA-N 2 1 355.482 3.100 20 0 FGADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1ccncc1 ZINC000092253462 494821861 /nfs/dbraw/zinc/82/18/61/494821861.db2.gz QLZSLCMUQVWVJH-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OCc1ccncc1 ZINC000092253462 494821865 /nfs/dbraw/zinc/82/18/65/494821865.db2.gz QLZSLCMUQVWVJH-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OCc1ccncc1 ZINC000092253462 494821869 /nfs/dbraw/zinc/82/18/69/494821869.db2.gz QLZSLCMUQVWVJH-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP COc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OCc1ccncc1 ZINC000092253462 494821878 /nfs/dbraw/zinc/82/18/78/494821878.db2.gz QLZSLCMUQVWVJH-HXUWFJFHSA-N 2 1 369.509 3.443 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000121633558 494826087 /nfs/dbraw/zinc/82/60/87/494826087.db2.gz IGZLBRKJVFJBTK-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000121633558 494826091 /nfs/dbraw/zinc/82/60/91/494826091.db2.gz IGZLBRKJVFJBTK-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000121633558 494826097 /nfs/dbraw/zinc/82/60/97/494826097.db2.gz IGZLBRKJVFJBTK-RTWAWAEBSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)CC1 ZINC000093132715 494831227 /nfs/dbraw/zinc/83/12/27/494831227.db2.gz NIKAXHSLXKLZAU-FQEVSTJZSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(=O)c3ccc(F)cc3)CC2)C[C@H](C)O1 ZINC000121972464 494901629 /nfs/dbraw/zinc/90/16/29/494901629.db2.gz CKTHWVWMDMRLAP-CALCHBBNSA-N 2 1 362.489 3.220 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000109789032 494917537 /nfs/dbraw/zinc/91/75/37/494917537.db2.gz JHNUAJUYNUAWDU-INIZCTEOSA-N 2 1 363.933 3.277 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(NC(C)=O)cc2)CC1 ZINC000093769430 494918572 /nfs/dbraw/zinc/91/85/72/494918572.db2.gz QTHWEVCUWXKNHO-UHFFFAOYSA-N 2 1 361.530 3.215 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cnn(C(C)(C)C)c3)CC2)C[C@H](C)O1 ZINC000093844472 494927550 /nfs/dbraw/zinc/92/75/50/494927550.db2.gz JCISQVUVTUZFMZ-HDICACEKSA-N 2 1 362.562 3.349 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c(OC)c1 ZINC000122380528 494967097 /nfs/dbraw/zinc/96/70/97/494967097.db2.gz QCABJTKMWOYZCH-INIZCTEOSA-N 2 1 358.482 3.495 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000122446405 494976397 /nfs/dbraw/zinc/97/63/97/494976397.db2.gz QOLFCFJOUMUEFC-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP C[C@H]1CSCC[N@@H+](Cc2cncc(C[NH+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577874 505756904 /nfs/dbraw/zinc/75/69/04/505756904.db2.gz WDPSLXRNIUBEJN-CALCHBBNSA-N 2 1 365.612 3.451 20 0 FGADMP C[C@H]1CSCC[NH+](Cc2cncc(C[N@@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577874 505756907 /nfs/dbraw/zinc/75/69/07/505756907.db2.gz WDPSLXRNIUBEJN-CALCHBBNSA-N 2 1 365.612 3.451 20 0 FGADMP C[C@H]1CSCC[NH+](Cc2cncc(C[N@H+]3CCSC[C@@H](C)C3)c2)C1 ZINC000577577874 505756908 /nfs/dbraw/zinc/75/69/08/505756908.db2.gz WDPSLXRNIUBEJN-CALCHBBNSA-N 2 1 365.612 3.451 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000128191348 495058973 /nfs/dbraw/zinc/05/89/73/495058973.db2.gz MRIAFPLPSYOYEV-OLZOCXBDSA-N 2 1 358.313 3.231 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Cl)cc(Cl)c1 ZINC000128191348 495058976 /nfs/dbraw/zinc/05/89/76/495058976.db2.gz MRIAFPLPSYOYEV-OLZOCXBDSA-N 2 1 358.313 3.231 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cn1 ZINC000122974150 495062115 /nfs/dbraw/zinc/06/21/15/495062115.db2.gz FCTRAALMBOYOFQ-IAGOWNOFSA-N 2 1 371.485 3.111 20 0 FGADMP O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000101549670 495075578 /nfs/dbraw/zinc/07/55/78/495075578.db2.gz IOKSUCSIAQSCNU-ICSRJNTNSA-N 2 1 373.566 3.438 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(Cl)cn1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123162470 495090148 /nfs/dbraw/zinc/09/01/48/495090148.db2.gz PDDVYISGAWKHCF-AWEZNQCLSA-N 2 1 352.910 3.116 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@@H+]1C ZINC000123635226 495164275 /nfs/dbraw/zinc/16/42/75/495164275.db2.gz IIYULRSHXGQYSZ-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[N@H+]1C ZINC000123635226 495164279 /nfs/dbraw/zinc/16/42/79/495164279.db2.gz IIYULRSHXGQYSZ-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123635226 495164282 /nfs/dbraw/zinc/16/42/82/495164282.db2.gz IIYULRSHXGQYSZ-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)cc2Cl)CC[NH+]1C ZINC000123635226 495164286 /nfs/dbraw/zinc/16/42/86/495164286.db2.gz IIYULRSHXGQYSZ-YUELXQCFSA-N 2 1 361.313 3.148 20 0 FGADMP [NH3+][C@H](CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000119440250 495167987 /nfs/dbraw/zinc/16/79/87/495167987.db2.gz CFFSVSXPRQXDOX-HXUWFJFHSA-N 2 1 371.912 3.464 20 0 FGADMP [NH3+][C@H](CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1)c1ccccc1 ZINC000119440250 495167990 /nfs/dbraw/zinc/16/79/90/495167990.db2.gz CFFSVSXPRQXDOX-HXUWFJFHSA-N 2 1 371.912 3.464 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN1Cc1ccccc1 ZINC000119551246 495189406 /nfs/dbraw/zinc/18/94/06/495189406.db2.gz PNSYHDIKQAWAEG-UNMCSNQZSA-N 2 1 371.569 3.274 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000119666483 495213452 /nfs/dbraw/zinc/21/34/52/495213452.db2.gz JRFLGPBWJWQDOW-INIZCTEOSA-N 2 1 354.498 3.277 20 0 FGADMP OC[C@@H](Cc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000123983081 495216413 /nfs/dbraw/zinc/21/64/13/495216413.db2.gz XFIPKNURJGHMEF-OAQYLSRUSA-N 2 1 363.505 3.326 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000119705334 495222061 /nfs/dbraw/zinc/22/20/61/495222061.db2.gz CKXQBZVOMAHINE-HNNXBMFYSA-N 2 1 363.933 3.293 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000119707391 495222867 /nfs/dbraw/zinc/22/28/67/495222867.db2.gz RUOUXPACRZXNMV-LJQANCHMSA-N 2 1 361.917 3.220 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]1c1cccc(Cl)c1)NC1CC[NH+](C2CC2)CC1 ZINC000119707391 495222870 /nfs/dbraw/zinc/22/28/70/495222870.db2.gz RUOUXPACRZXNMV-LJQANCHMSA-N 2 1 361.917 3.220 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c(C[NH+](C)C)c1 ZINC000134948861 495229605 /nfs/dbraw/zinc/22/96/05/495229605.db2.gz MTCUURPZSRHOGD-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c(C[NH+](C)C)c1 ZINC000134948861 495229606 /nfs/dbraw/zinc/22/96/06/495229606.db2.gz MTCUURPZSRHOGD-KRWDZBQOSA-N 2 1 351.494 3.442 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000568749361 505769344 /nfs/dbraw/zinc/76/93/44/505769344.db2.gz WLUXKRYNSQYKCQ-LJQANCHMSA-N 2 1 363.521 3.417 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000568749361 505769345 /nfs/dbraw/zinc/76/93/45/505769345.db2.gz WLUXKRYNSQYKCQ-LJQANCHMSA-N 2 1 363.521 3.417 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000568749360 505769426 /nfs/dbraw/zinc/76/94/26/505769426.db2.gz WLUXKRYNSQYKCQ-IBGZPJMESA-N 2 1 363.521 3.417 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000568749360 505769429 /nfs/dbraw/zinc/76/94/29/505769429.db2.gz WLUXKRYNSQYKCQ-IBGZPJMESA-N 2 1 363.521 3.417 20 0 FGADMP CSc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1F ZINC000124391899 495280177 /nfs/dbraw/zinc/28/01/77/495280177.db2.gz DAVKPDCZWMZUKX-HNNXBMFYSA-N 2 1 353.551 3.472 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2CC[NH+](C)CC2)c1 ZINC000135401486 495287706 /nfs/dbraw/zinc/28/77/06/495287706.db2.gz RJVXJUSZPBRNSU-UHFFFAOYSA-N 2 1 374.573 3.450 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3Oc3cccnc3)C2)CC1 ZINC000113504113 495307788 /nfs/dbraw/zinc/30/77/88/495307788.db2.gz NGJBYBIZWUOTNR-HXUWFJFHSA-N 2 1 366.509 3.086 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000104873698 495312271 /nfs/dbraw/zinc/31/22/71/495312271.db2.gz XEDRRHBLOWXAAE-BBWFWOEESA-N 2 1 361.555 3.435 20 0 FGADMP CCc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)[NH+](C)C)cc1 ZINC000105083257 495335174 /nfs/dbraw/zinc/33/51/74/495335174.db2.gz LVMMHAKGRMHYQY-FPOVZHCZSA-N 2 1 374.573 3.271 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105113095 495337906 /nfs/dbraw/zinc/33/79/06/495337906.db2.gz VPWDWVUMKXYYLH-SFHVURJKSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2CC[NH+](C)CC2)C1 ZINC000105113400 495338132 /nfs/dbraw/zinc/33/81/32/495338132.db2.gz WAKVVRHBTZOUQZ-SFHVURJKSA-N 2 1 372.557 3.060 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000105128161 495338985 /nfs/dbraw/zinc/33/89/85/495338985.db2.gz VFEOMPKGGFFAOE-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000105128161 495338991 /nfs/dbraw/zinc/33/89/91/495338991.db2.gz VFEOMPKGGFFAOE-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000105128161 495338995 /nfs/dbraw/zinc/33/89/95/495338995.db2.gz VFEOMPKGGFFAOE-SFHVURJKSA-N 2 1 352.567 3.061 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000105204422 495345371 /nfs/dbraw/zinc/34/53/71/495345371.db2.gz WXDMNNGNYJHBIM-UHFFFAOYSA-N 2 1 370.541 3.052 20 0 FGADMP COc1ccc([C@@H](CCO)[NH2+]C2CCN(CCc3ccccc3)CC2)cc1 ZINC000120309710 495348901 /nfs/dbraw/zinc/34/89/01/495348901.db2.gz YPQZWOMVAKARNG-HSZRJFAPSA-N 2 1 368.521 3.415 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000114197258 495353815 /nfs/dbraw/zinc/35/38/15/495353815.db2.gz YPXOZBKOVYTJEE-UHFFFAOYSA-N 2 1 352.910 3.117 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cn2)CC1 ZINC000114197258 495353818 /nfs/dbraw/zinc/35/38/18/495353818.db2.gz YPXOZBKOVYTJEE-UHFFFAOYSA-N 2 1 352.910 3.117 20 0 FGADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000136391380 495376463 /nfs/dbraw/zinc/37/64/63/495376463.db2.gz IGNFCKIYELNUKG-UHFFFAOYSA-N 2 1 357.420 3.450 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000136391380 495376469 /nfs/dbraw/zinc/37/64/69/495376469.db2.gz IGNFCKIYELNUKG-UHFFFAOYSA-N 2 1 357.420 3.450 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1F ZINC000130353868 495377933 /nfs/dbraw/zinc/37/79/33/495377933.db2.gz YQYHHBMLVJSCQJ-OAQYLSRUSA-N 2 1 360.448 3.295 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000130359276 495379627 /nfs/dbraw/zinc/37/96/27/495379627.db2.gz AWEYVVJGDUEGTK-AWEZNQCLSA-N 2 1 364.440 3.011 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1 ZINC000130359276 495379631 /nfs/dbraw/zinc/37/96/31/495379631.db2.gz AWEYVVJGDUEGTK-AWEZNQCLSA-N 2 1 364.440 3.011 20 0 FGADMP CCC[N@H+](CCc1ccncc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477095 495380899 /nfs/dbraw/zinc/38/08/99/495380899.db2.gz IXULWBRGAOSUCS-UHFFFAOYSA-N 2 1 353.514 3.412 20 0 FGADMP CCC[N@@H+](CCc1ccncc1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477095 495380902 /nfs/dbraw/zinc/38/09/02/495380902.db2.gz IXULWBRGAOSUCS-UHFFFAOYSA-N 2 1 353.514 3.412 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000125159473 495399988 /nfs/dbraw/zinc/39/99/88/495399988.db2.gz YWFBUBLYIBZJGY-LMDPOFIKSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164587 495422189 /nfs/dbraw/zinc/42/21/89/495422189.db2.gz WDAVBUDTORBEEG-INIZCTEOSA-N 2 1 372.488 3.033 20 0 FGADMP CC(C)(C)[N@H+]1CCCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000580533176 505781102 /nfs/dbraw/zinc/78/11/02/505781102.db2.gz NMMNFWSVSXSCMG-FQEVSTJZSA-N 2 1 368.525 3.355 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000130705266 495431855 /nfs/dbraw/zinc/43/18/55/495431855.db2.gz RZRVMEBCHFYFMO-LJQANCHMSA-N 2 1 358.461 3.157 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000130705266 495431858 /nfs/dbraw/zinc/43/18/58/495431858.db2.gz RZRVMEBCHFYFMO-LJQANCHMSA-N 2 1 358.461 3.157 20 0 FGADMP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCOCC3)cc1)CCC2 ZINC000580542034 505782440 /nfs/dbraw/zinc/78/24/40/505782440.db2.gz PPJYEPUCYUFWEB-QFIPXVFZSA-N 2 1 352.478 3.392 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000125432196 495443415 /nfs/dbraw/zinc/44/34/15/495443415.db2.gz VZIHFVJXHJGCLG-SFHVURJKSA-N 2 1 355.526 3.371 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1C(F)(F)F ZINC000137588690 495446608 /nfs/dbraw/zinc/44/66/08/495446608.db2.gz FPKZUGLUGLXSNO-HNNXBMFYSA-N 2 1 369.431 3.452 20 0 FGADMP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3cc(C(F)(F)F)ccc32)CC1 ZINC000125628203 495473459 /nfs/dbraw/zinc/47/34/59/495473459.db2.gz OIDZLWRGWXMABD-CQSZACIVSA-N 2 1 353.388 3.147 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966754 495486129 /nfs/dbraw/zinc/48/61/29/495486129.db2.gz UQUQDSAXMIUREO-PBHICJAKSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966754 495486131 /nfs/dbraw/zinc/48/61/31/495486131.db2.gz UQUQDSAXMIUREO-PBHICJAKSA-N 2 1 369.431 3.450 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]21 ZINC000139966754 495486132 /nfs/dbraw/zinc/48/61/32/495486132.db2.gz UQUQDSAXMIUREO-PBHICJAKSA-N 2 1 369.431 3.450 20 0 FGADMP CCc1nocc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000577752886 505785448 /nfs/dbraw/zinc/78/54/48/505785448.db2.gz BWLREHUMBGNVQD-FQEVSTJZSA-N 2 1 369.509 3.255 20 0 FGADMP CCc1nocc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000577752886 505785451 /nfs/dbraw/zinc/78/54/51/505785451.db2.gz BWLREHUMBGNVQD-FQEVSTJZSA-N 2 1 369.509 3.255 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000141379749 495506204 /nfs/dbraw/zinc/50/62/04/495506204.db2.gz BBXCJBCACLJUOH-GOSISDBHSA-N 2 1 360.546 3.058 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C)C1 ZINC000131247156 495511843 /nfs/dbraw/zinc/51/18/43/495511843.db2.gz RRHVKWRBSZKEAU-WOZUAGRISA-N 2 1 353.595 3.224 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000182414246 495554474 /nfs/dbraw/zinc/55/44/74/495554474.db2.gz DJJKHNLVOKDSNE-QZTJIDSGSA-N 2 1 366.933 3.196 20 0 FGADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000182414246 495554480 /nfs/dbraw/zinc/55/44/80/495554480.db2.gz DJJKHNLVOKDSNE-QZTJIDSGSA-N 2 1 366.933 3.196 20 0 FGADMP C[N@@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000158665323 495562013 /nfs/dbraw/zinc/56/20/13/495562013.db2.gz VEHGNAMLMJJMAP-UXHICEINSA-N 2 1 357.542 3.230 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000158665323 495562017 /nfs/dbraw/zinc/56/20/17/495562017.db2.gz VEHGNAMLMJJMAP-UXHICEINSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000158665323 495562020 /nfs/dbraw/zinc/56/20/20/495562020.db2.gz VEHGNAMLMJJMAP-UXHICEINSA-N 2 1 357.542 3.230 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CC(=O)N(Cc3ccccc3)C(C)(C)C)CC[C@@H]21 ZINC000158665323 495562022 /nfs/dbraw/zinc/56/20/22/495562022.db2.gz VEHGNAMLMJJMAP-UXHICEINSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1cccc(Cl)c1Cl ZINC000154279709 495566778 /nfs/dbraw/zinc/56/67/78/495566778.db2.gz GWEKSUDOLUTFHP-CXTNEJHOSA-N 2 1 361.313 3.051 20 0 FGADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000158799924 495592039 /nfs/dbraw/zinc/59/20/39/495592039.db2.gz VQMAKIFZCDKLPH-YVWKXTFCSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000158799924 495592041 /nfs/dbraw/zinc/59/20/41/495592041.db2.gz VQMAKIFZCDKLPH-YVWKXTFCSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000158799924 495592043 /nfs/dbraw/zinc/59/20/43/495592043.db2.gz VQMAKIFZCDKLPH-YVWKXTFCSA-N 2 1 361.505 3.151 20 0 FGADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)[C@H](C)c1ccc(F)cc1 ZINC000158799924 495592045 /nfs/dbraw/zinc/59/20/45/495592045.db2.gz VQMAKIFZCDKLPH-YVWKXTFCSA-N 2 1 361.505 3.151 20 0 FGADMP O[C@@H](Cc1ccccc1C(F)(F)F)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000154379883 495599243 /nfs/dbraw/zinc/59/92/43/495599243.db2.gz CEBWXGUOKOPKIC-AEFFLSMTSA-N 2 1 370.459 3.417 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000179493700 495613126 /nfs/dbraw/zinc/61/31/26/495613126.db2.gz HMAABFVTNVECEL-GOSISDBHSA-N 2 1 356.514 3.339 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(Cc1ccccc1)C(C)C ZINC000179493700 495613131 /nfs/dbraw/zinc/61/31/31/495613131.db2.gz HMAABFVTNVECEL-GOSISDBHSA-N 2 1 356.514 3.339 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000154448266 495619287 /nfs/dbraw/zinc/61/92/87/495619287.db2.gz KSUIBSBJEYRNDO-GOSISDBHSA-N 2 1 351.535 3.370 20 0 FGADMP COc1ccccc1C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000179552849 495637599 /nfs/dbraw/zinc/63/75/99/495637599.db2.gz CKPIXEJQSIKLJB-UXHICEINSA-N 2 1 373.541 3.104 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669477 495670995 /nfs/dbraw/zinc/67/09/95/495670995.db2.gz PUGGRQMPCHFFGT-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669477 495670999 /nfs/dbraw/zinc/67/09/99/495670999.db2.gz PUGGRQMPCHFFGT-KGLIPLIRSA-N 2 1 351.441 3.146 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[NH+](C)C2)c1 ZINC000170979837 495675799 /nfs/dbraw/zinc/67/57/99/495675799.db2.gz AISMWVYUOGWPGJ-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000170979837 495675802 /nfs/dbraw/zinc/67/58/02/495675802.db2.gz AISMWVYUOGWPGJ-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP C[NH+](Cc1ccccc1)Cc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000170979837 495675804 /nfs/dbraw/zinc/67/58/04/495675804.db2.gz AISMWVYUOGWPGJ-OAQYLSRUSA-N 2 1 365.521 3.390 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679741 495676655 /nfs/dbraw/zinc/67/66/55/495676655.db2.gz AKMBDHNDHKRSMA-IRXDYDNUSA-N 2 1 359.514 3.185 20 0 FGADMP COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679741 495676660 /nfs/dbraw/zinc/67/66/60/495676660.db2.gz AKMBDHNDHKRSMA-IRXDYDNUSA-N 2 1 359.514 3.185 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746766 495709335 /nfs/dbraw/zinc/70/93/35/495709335.db2.gz AJHLGCQBOPYODZ-ICSRJNTNSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1ccccc1CN(C)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746766 495709341 /nfs/dbraw/zinc/70/93/41/495709341.db2.gz AJHLGCQBOPYODZ-ICSRJNTNSA-N 2 1 357.542 3.196 20 0 FGADMP COc1ccc(NC(=O)CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185755536 495712271 /nfs/dbraw/zinc/71/22/71/495712271.db2.gz MXLINANZBFGRMP-IAGOWNOFSA-N 2 1 359.514 3.266 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CN(c2ccccc2)C(=O)O1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185763111 495715966 /nfs/dbraw/zinc/71/59/66/495715966.db2.gz VUNNOWNNYDJCKI-MBOZVWFJSA-N 2 1 357.498 3.254 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858548 495722017 /nfs/dbraw/zinc/72/20/17/495722017.db2.gz GXPIOQBGIPUPAH-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)sc1Br ZINC000577834796 505800599 /nfs/dbraw/zinc/80/05/99/505800599.db2.gz YRGYBUYCODRHAU-CQSZACIVSA-N 2 1 374.392 3.497 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742076 /nfs/dbraw/zinc/74/20/76/495742076.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742079 /nfs/dbraw/zinc/74/20/79/495742079.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000173906865 495742082 /nfs/dbraw/zinc/74/20/82/495742082.db2.gz DHOIHUBNFVZMMF-MOPGFXCFSA-N 2 1 365.521 3.429 20 0 FGADMP COCC1=CC[NH+](Cc2ccccc2C[N@@H+]2CC=C(COC)CC2)CC1 ZINC000185862531 495753832 /nfs/dbraw/zinc/75/38/32/495753832.db2.gz DIAQCYIQKGPKGL-UHFFFAOYSA-N 2 1 356.510 3.244 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000154869514 495755436 /nfs/dbraw/zinc/75/54/36/495755436.db2.gz ORTOAKDGNMCEEP-NVXWUHKLSA-N 2 1 358.448 3.273 20 0 FGADMP C[C@H](c1nc(-c2ccccc2)no1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173961688 495765225 /nfs/dbraw/zinc/76/52/25/495765225.db2.gz BHSXZCYXNDMCIJ-QGZVFWFLSA-N 2 1 370.497 3.374 20 0 FGADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182956800 495774952 /nfs/dbraw/zinc/77/49/52/495774952.db2.gz QSUHNMSWPRXYEN-GOSISDBHSA-N 2 1 368.363 3.470 20 0 FGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000568897736 505802812 /nfs/dbraw/zinc/80/28/12/505802812.db2.gz ALGXCJGSJQMJEG-GCJKJVERSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@H](Cc1cnc[nH]1)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568897736 505802816 /nfs/dbraw/zinc/80/28/16/505802816.db2.gz ALGXCJGSJQMJEG-GCJKJVERSA-N 2 1 366.509 3.103 20 0 FGADMP Cc1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182965586 495778426 /nfs/dbraw/zinc/77/84/26/495778426.db2.gz QKIJROAGSPTBDX-WOJBJXKFSA-N 2 1 370.541 3.458 20 0 FGADMP Cc1ccc(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1NC(=O)C[NH+]1CCCCC1 ZINC000182965586 495778433 /nfs/dbraw/zinc/77/84/33/495778433.db2.gz QKIJROAGSPTBDX-WOJBJXKFSA-N 2 1 370.541 3.458 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000155058002 495819460 /nfs/dbraw/zinc/81/94/60/495819460.db2.gz HQJJSVLZTSHSCR-NHCUHLMSSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1)C(C)C ZINC000155058002 495819466 /nfs/dbraw/zinc/81/94/66/495819466.db2.gz HQJJSVLZTSHSCR-NHCUHLMSSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1)C(C)C ZINC000155058002 495819469 /nfs/dbraw/zinc/81/94/69/495819469.db2.gz HQJJSVLZTSHSCR-NHCUHLMSSA-N 2 1 357.542 3.473 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101069 495834134 /nfs/dbraw/zinc/83/41/34/495834134.db2.gz AHQKHCUHZNIMDV-IAGOWNOFSA-N 2 1 362.514 3.421 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101069 495834141 /nfs/dbraw/zinc/83/41/41/495834141.db2.gz AHQKHCUHZNIMDV-IAGOWNOFSA-N 2 1 362.514 3.421 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NC(C)(C)C ZINC000174155580 495841237 /nfs/dbraw/zinc/84/12/37/495841237.db2.gz DDVDGBFXGARNDK-MRXNPFEDSA-N 2 1 357.498 3.304 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C(=O)NC(C)(C)C ZINC000174155567 495841405 /nfs/dbraw/zinc/84/14/05/495841405.db2.gz DDVDGBFXGARNDK-INIZCTEOSA-N 2 1 357.498 3.304 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000183135861 495849102 /nfs/dbraw/zinc/84/91/02/495849102.db2.gz IFWTZSLJNIIYLZ-BHIFYINESA-N 2 1 352.526 3.243 20 0 FGADMP C[NH+](C)Cc1ccnc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)c1 ZINC000176938729 495849520 /nfs/dbraw/zinc/84/95/20/495849520.db2.gz LNGYVTFKLFEVBH-SFHVURJKSA-N 2 1 370.472 3.133 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000180191724 495899071 /nfs/dbraw/zinc/89/90/71/495899071.db2.gz YRNZPOOZNMKPDG-FKBYEOEOSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000180191724 495899075 /nfs/dbraw/zinc/89/90/75/495899075.db2.gz YRNZPOOZNMKPDG-FKBYEOEOSA-N 2 1 363.505 3.213 20 0 FGADMP C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000180191724 495899080 /nfs/dbraw/zinc/89/90/80/495899080.db2.gz YRNZPOOZNMKPDG-FKBYEOEOSA-N 2 1 363.505 3.213 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000177052365 495903110 /nfs/dbraw/zinc/90/31/10/495903110.db2.gz LPGJDLABGQGORH-OAQYLSRUSA-N 2 1 357.542 3.377 20 0 FGADMP CC[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000568937007 505812292 /nfs/dbraw/zinc/81/22/92/505812292.db2.gz POWRCPNSWVKBTC-LEWJYISDSA-N 2 1 357.542 3.374 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000177181145 495963224 /nfs/dbraw/zinc/96/32/24/495963224.db2.gz SPFIRWAUIHVUHM-GHTZIAJQSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000180378772 495972620 /nfs/dbraw/zinc/97/26/20/495972620.db2.gz QMDBUBXOHUBVFX-GOSISDBHSA-N 2 1 368.525 3.068 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)CC[C@@H]2C)CC1 ZINC000174468543 495973438 /nfs/dbraw/zinc/97/34/38/495973438.db2.gz KZASVHWUGLJGDY-HKUYNNGSSA-N 2 1 357.542 3.196 20 0 FGADMP CC(C)n1cc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)cn1 ZINC000151903274 495986868 /nfs/dbraw/zinc/98/68/68/495986868.db2.gz ZZJZGTAUJHMFDN-DENIHFKCSA-N 2 1 369.557 3.493 20 0 FGADMP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000177233327 495987179 /nfs/dbraw/zinc/98/71/79/495987179.db2.gz IALNFOHUMFITSH-SFHVURJKSA-N 2 1 353.510 3.293 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1CCCCC1 ZINC000177318370 496016423 /nfs/dbraw/zinc/01/64/23/496016423.db2.gz SGNXHKRUPLUBDP-UTKZUKDTSA-N 2 1 357.542 3.442 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000183557352 496030478 /nfs/dbraw/zinc/03/04/78/496030478.db2.gz KKYBNSYEPXNDEJ-IFMALSPDSA-N 2 1 359.558 3.078 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000183557352 496030481 /nfs/dbraw/zinc/03/04/81/496030481.db2.gz KKYBNSYEPXNDEJ-IFMALSPDSA-N 2 1 359.558 3.078 20 0 FGADMP CC(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)C1=O ZINC000177458678 496069665 /nfs/dbraw/zinc/06/96/65/496069665.db2.gz ZIBRXUMVZYLPSG-HXUWFJFHSA-N 2 1 355.482 3.011 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177507330 496091274 /nfs/dbraw/zinc/09/12/74/496091274.db2.gz AJSMNQUXTLCHMW-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000177507330 496091281 /nfs/dbraw/zinc/09/12/81/496091281.db2.gz AJSMNQUXTLCHMW-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP COc1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(Br)c1 ZINC000577945346 505824669 /nfs/dbraw/zinc/82/46/69/505824669.db2.gz WQUGFPRCOMUTNC-RHSMWYFYSA-N 2 1 353.304 3.374 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000156059388 496146224 /nfs/dbraw/zinc/14/62/24/496146224.db2.gz VWTYSLGOTFTCRA-FQEVSTJZSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000156059388 496146233 /nfs/dbraw/zinc/14/62/33/496146233.db2.gz VWTYSLGOTFTCRA-FQEVSTJZSA-N 2 1 360.546 3.008 20 0 FGADMP CC(C)[C@@H]1C[NH+](C)CCN1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000156059388 496146239 /nfs/dbraw/zinc/14/62/39/496146239.db2.gz VWTYSLGOTFTCRA-FQEVSTJZSA-N 2 1 360.546 3.008 20 0 FGADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC[C@@H]1c1ccccc1 ZINC000174889094 496151240 /nfs/dbraw/zinc/15/12/40/496151240.db2.gz FFUIKDPLJVZFBU-UGKGYDQZSA-N 2 1 371.569 3.491 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000174890213 496151389 /nfs/dbraw/zinc/15/13/89/496151389.db2.gz MQRHAANAFPMQIF-RBUKOAKNSA-N 2 1 374.573 3.489 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964741 496185399 /nfs/dbraw/zinc/18/53/99/496185399.db2.gz WOYSLAUCNIHRLF-INIZCTEOSA-N 2 1 351.922 3.010 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964741 496185402 /nfs/dbraw/zinc/18/54/02/496185402.db2.gz WOYSLAUCNIHRLF-INIZCTEOSA-N 2 1 351.922 3.010 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000174964741 496185405 /nfs/dbraw/zinc/18/54/05/496185405.db2.gz WOYSLAUCNIHRLF-INIZCTEOSA-N 2 1 351.922 3.010 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000569006628 505828771 /nfs/dbraw/zinc/82/87/71/505828771.db2.gz CFGIJDPSFHIGSP-KRWDZBQOSA-N 2 1 361.555 3.438 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000569006628 505828775 /nfs/dbraw/zinc/82/87/75/505828775.db2.gz CFGIJDPSFHIGSP-KRWDZBQOSA-N 2 1 361.555 3.438 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC4(CCCC4)C3)CC2)CC1 ZINC000577961898 505828972 /nfs/dbraw/zinc/82/89/72/505828972.db2.gz GDEPSYYBSMZQSA-UHFFFAOYSA-N 2 1 361.574 3.366 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000172220694 496214562 /nfs/dbraw/zinc/21/45/62/496214562.db2.gz IGICMKPWJFRZLM-UXHICEINSA-N 2 1 364.578 3.158 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)CC1 ZINC000152681868 496225388 /nfs/dbraw/zinc/22/53/88/496225388.db2.gz UVSZMWGZJIXJGP-OAHAVBBTSA-N 2 1 364.578 3.154 20 0 FGADMP CCc1ccc(C[NH+]2CCC(CC(=O)N3CC[NH+](CC)CC3)CC2)cc1 ZINC000172248391 496227411 /nfs/dbraw/zinc/22/74/11/496227411.db2.gz MSOYIGHSNBDUSE-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP COc1ccc2oc(C[NH2+]Cc3ccccc3C[N@H+]3CC[C@@H](O)C3)cc2c1 ZINC000180993494 496233338 /nfs/dbraw/zinc/23/33/38/496233338.db2.gz HEVJJTNBTRUSLU-LJQANCHMSA-N 2 1 366.461 3.298 20 0 FGADMP CCN(CC)C(=O)[C@@H](c1ccccc1)N1CC[C@H](Oc2ccncc2)C1 ZINC000156405558 496235425 /nfs/dbraw/zinc/23/54/25/496235425.db2.gz CEYMIQKLNPUNPF-VQTJNVASSA-N 2 1 353.466 3.144 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1 ZINC000152749708 496245408 /nfs/dbraw/zinc/24/54/08/496245408.db2.gz BFGZHXIXCFVAOI-VKJFTORMSA-N 2 1 366.347 3.205 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000152768758 496251069 /nfs/dbraw/zinc/25/10/69/496251069.db2.gz MJEKUBJXWNCPDQ-HDYDNRTBSA-N 2 1 364.578 3.013 20 0 FGADMP O=C(CCC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000574689502 505832655 /nfs/dbraw/zinc/83/26/55/505832655.db2.gz KBHWABLHBSJDLN-FGZHOGPDSA-N 2 1 369.553 3.279 20 0 FGADMP CC1CC[NH+](CCN2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000152821303 496266292 /nfs/dbraw/zinc/26/62/92/496266292.db2.gz NVIQSSLAGAKBEZ-UHFFFAOYSA-N 2 1 365.949 3.068 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000152881435 496284865 /nfs/dbraw/zinc/28/48/65/496284865.db2.gz APFUNKPAYDRSJE-RXVVDRJESA-N 2 1 355.526 3.126 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152881435 496284868 /nfs/dbraw/zinc/28/48/68/496284868.db2.gz APFUNKPAYDRSJE-RXVVDRJESA-N 2 1 355.526 3.126 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152881435 496284873 /nfs/dbraw/zinc/28/48/73/496284873.db2.gz APFUNKPAYDRSJE-RXVVDRJESA-N 2 1 355.526 3.126 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000175303482 496330522 /nfs/dbraw/zinc/33/05/22/496330522.db2.gz VBGDDDSDUMFXMN-NQIIRXRSSA-N 2 1 372.557 3.212 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000184332246 496338813 /nfs/dbraw/zinc/33/88/13/496338813.db2.gz XXMGRLAQKGGINR-BBRMVZONSA-N 2 1 355.320 3.463 20 0 FGADMP C[C@@H](CC1CCCC1)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156831378 496343185 /nfs/dbraw/zinc/34/31/85/496343185.db2.gz MLJTVGNEVXRXQX-UWJYYQICSA-N 2 1 357.542 3.442 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175374734 496363179 /nfs/dbraw/zinc/36/31/79/496363179.db2.gz TVOQUUCESQAKBT-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175374734 496363185 /nfs/dbraw/zinc/36/31/85/496363185.db2.gz TVOQUUCESQAKBT-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]1CCC[NH+](CCNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000175374734 496363189 /nfs/dbraw/zinc/36/31/89/496363189.db2.gz TVOQUUCESQAKBT-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP COc1cc([C@H](C)[NH2+]CC[C@H](C)[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000184506687 496415908 /nfs/dbraw/zinc/41/59/08/496415908.db2.gz FSEYWOINUQMXDG-HOTGVXAUSA-N 2 1 368.543 3.014 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)[C@H](c3ccccc3)[NH+](C)C)c2)CC1 ZINC000187401011 496425519 /nfs/dbraw/zinc/42/55/19/496425519.db2.gz RUXZKJGRMHPSEM-NRFANRHFSA-N 2 1 366.509 3.070 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000175632509 496473837 /nfs/dbraw/zinc/47/38/37/496473837.db2.gz WLMYGMWRUGDVRR-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000175631485 496474257 /nfs/dbraw/zinc/47/42/57/496474257.db2.gz OOWSRDOBLLZGHY-CTNGQTDRSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000181629594 496476194 /nfs/dbraw/zinc/47/61/94/496476194.db2.gz BPRQGRPNHCLXMJ-DWLFOUALSA-N 2 1 369.553 3.420 20 0 FGADMP CC1(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000163292956 496494343 /nfs/dbraw/zinc/49/43/43/496494343.db2.gz NQBOJLCZAOWJMW-FQEVSTJZSA-N 2 1 369.553 3.422 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000157538448 496498895 /nfs/dbraw/zinc/49/88/95/496498895.db2.gz IXPUQLLHHSBCCH-QGZVFWFLSA-N 2 1 371.529 3.169 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000569087223 505849579 /nfs/dbraw/zinc/84/95/79/505849579.db2.gz HDXSSXAWNSEXOV-CZUORRHYSA-N 2 1 365.905 3.140 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(NS(C)(=O)=O)cc1 ZINC000157871125 496575186 /nfs/dbraw/zinc/57/51/86/496575186.db2.gz UQXPFHWQEXJQJQ-SJORKVTESA-N 2 1 367.559 3.363 20 0 FGADMP Cc1nccnc1[C@@H](C)[NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000187794111 496575275 /nfs/dbraw/zinc/57/52/75/496575275.db2.gz AQYQDJRSRIWOOY-LJQANCHMSA-N 2 1 367.541 3.034 20 0 FGADMP O=C([C@H]1CCCCC[NH2+]1)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000578071320 505854774 /nfs/dbraw/zinc/85/47/74/505854774.db2.gz POANMHIZXAVGKY-HXUWFJFHSA-N 2 1 355.526 3.033 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)c2nccnc2C)CC1 ZINC000187966307 496635309 /nfs/dbraw/zinc/63/53/09/496635309.db2.gz QCLHMQXQHMBSFN-WBVHZDCISA-N 2 1 371.504 3.478 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165642956 496664185 /nfs/dbraw/zinc/66/41/85/496664185.db2.gz MWDAYMVTVUEKSG-GGPKGHCWSA-N 2 1 373.541 3.211 20 0 FGADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1OCC(=O)N1CCCC1 ZINC000165642956 496664191 /nfs/dbraw/zinc/66/41/91/496664191.db2.gz MWDAYMVTVUEKSG-GGPKGHCWSA-N 2 1 373.541 3.211 20 0 FGADMP c1ccc(OCCOc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166224566 496679215 /nfs/dbraw/zinc/67/92/15/496679215.db2.gz BDRYVISCRWVLDC-WOJBJXKFSA-N 2 1 367.493 3.256 20 0 FGADMP c1ccc(OCCOc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000166224566 496679220 /nfs/dbraw/zinc/67/92/20/496679220.db2.gz BDRYVISCRWVLDC-WOJBJXKFSA-N 2 1 367.493 3.256 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000173412291 496681485 /nfs/dbraw/zinc/68/14/85/496681485.db2.gz WNHPVHXRLBGZPV-RTBURBONSA-N 2 1 373.545 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000173412291 496681492 /nfs/dbraw/zinc/68/14/92/496681492.db2.gz WNHPVHXRLBGZPV-RTBURBONSA-N 2 1 373.545 3.057 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1)c1ccccc1 ZINC000166415047 496686032 /nfs/dbraw/zinc/68/60/32/496686032.db2.gz LRJUBHXYLGRACW-BHDDXSALSA-N 2 1 369.553 3.388 20 0 FGADMP C[C@H](CC(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000167681270 496704644 /nfs/dbraw/zinc/70/46/44/496704644.db2.gz YXVAJBQVYVUITC-IAGOWNOFSA-N 2 1 359.514 3.044 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244258 496718561 /nfs/dbraw/zinc/71/85/61/496718561.db2.gz NXSQELRPJYMLDP-VGOFRKELSA-N 2 1 366.505 3.429 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000182244240 496718593 /nfs/dbraw/zinc/71/85/93/496718593.db2.gz NXSQELRPJYMLDP-HTAPYJJXSA-N 2 1 366.505 3.429 20 0 FGADMP CC(C)CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1(C)C ZINC000182258531 496721585 /nfs/dbraw/zinc/72/15/85/496721585.db2.gz GKMHBVQJGOYVIM-PCCBWWKXSA-N 2 1 360.542 3.183 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)CC2 ZINC000182257757 496721763 /nfs/dbraw/zinc/72/17/63/496721763.db2.gz YCYINRHXEIOXJY-UGKGYDQZSA-N 2 1 352.478 3.039 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000246993820 496746014 /nfs/dbraw/zinc/74/60/14/496746014.db2.gz OJWXLTDPNLAXIS-CEXWTWQISA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993820 496746018 /nfs/dbraw/zinc/74/60/18/496746018.db2.gz OJWXLTDPNLAXIS-CEXWTWQISA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993820 496746023 /nfs/dbraw/zinc/74/60/23/496746023.db2.gz OJWXLTDPNLAXIS-CEXWTWQISA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993820 496746026 /nfs/dbraw/zinc/74/60/26/496746026.db2.gz OJWXLTDPNLAXIS-CEXWTWQISA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)COCc2cccs2)C1 ZINC000246993820 496746030 /nfs/dbraw/zinc/74/60/30/496746030.db2.gz OJWXLTDPNLAXIS-CEXWTWQISA-N 2 1 366.571 3.212 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000277401907 496760958 /nfs/dbraw/zinc/76/09/58/496760958.db2.gz ZODASWHDMMFHJK-CQSZACIVSA-N 2 1 357.420 3.450 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000247077603 496771893 /nfs/dbraw/zinc/77/18/93/496771893.db2.gz XKGPYQXXPHNIQX-QKLQHJQFSA-N 2 1 370.541 3.136 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000268749830 496773677 /nfs/dbraw/zinc/77/36/77/496773677.db2.gz BWTNCQJJGDYEHG-RTBURBONSA-N 2 1 361.917 3.161 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000268749830 496773683 /nfs/dbraw/zinc/77/36/83/496773683.db2.gz BWTNCQJJGDYEHG-RTBURBONSA-N 2 1 361.917 3.161 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000268749824 496773702 /nfs/dbraw/zinc/77/37/02/496773702.db2.gz BWTNCQJJGDYEHG-MOPGFXCFSA-N 2 1 361.917 3.161 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000268749824 496773708 /nfs/dbraw/zinc/77/37/08/496773708.db2.gz BWTNCQJJGDYEHG-MOPGFXCFSA-N 2 1 361.917 3.161 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268750999 496774299 /nfs/dbraw/zinc/77/42/99/496774299.db2.gz HRNLSBPDPVAETF-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccnc2-n2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268750999 496774305 /nfs/dbraw/zinc/77/43/05/496774305.db2.gz HRNLSBPDPVAETF-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268767939 496780486 /nfs/dbraw/zinc/78/04/86/496780486.db2.gz COFXEWPKBHMVES-DZFGPLHGSA-N 2 1 354.494 3.229 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@H+]1C ZINC000247115519 496784716 /nfs/dbraw/zinc/78/47/16/496784716.db2.gz UCZKOIAVMFNMAG-KBMXLJTQSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC[N@@H+]1C ZINC000247115519 496784711 /nfs/dbraw/zinc/78/47/11/496784711.db2.gz UCZKOIAVMFNMAG-KBMXLJTQSA-N 2 1 352.320 3.100 20 0 FGADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191509121 496790364 /nfs/dbraw/zinc/79/03/64/496790364.db2.gz OUOSFTVUPYIJQY-QGZVFWFLSA-N 2 1 352.592 3.423 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)[C@H](C)C1 ZINC000247183463 496800570 /nfs/dbraw/zinc/80/05/70/496800570.db2.gz VITAXXJTAYUQAW-LSTHTHJFSA-N 2 1 365.949 3.033 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853290 496804166 /nfs/dbraw/zinc/80/41/66/496804166.db2.gz GIDHNKOHWDABMV-GJZGRUSLSA-N 2 1 374.497 3.454 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268853290 496804171 /nfs/dbraw/zinc/80/41/71/496804171.db2.gz GIDHNKOHWDABMV-GJZGRUSLSA-N 2 1 374.497 3.454 20 0 FGADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000247353387 496842987 /nfs/dbraw/zinc/84/29/87/496842987.db2.gz LQSURGKQWZSVJM-WIYYLYMNSA-N 2 1 372.557 3.194 20 0 FGADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccccc1OCC(=O)N(C)C ZINC000269061930 496861750 /nfs/dbraw/zinc/86/17/50/496861750.db2.gz XYKDZTOACCULNS-HXUWFJFHSA-N 2 1 373.541 3.211 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000248025640 496943965 /nfs/dbraw/zinc/94/39/65/496943965.db2.gz OTIRCGFGLOGVFS-UNEWFSDZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Cl)cc3Cl)CC[C@@H]21 ZINC000248025640 496943970 /nfs/dbraw/zinc/94/39/70/496943970.db2.gz OTIRCGFGLOGVFS-UNEWFSDZSA-N 2 1 373.324 3.149 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248139556 496961545 /nfs/dbraw/zinc/96/15/45/496961545.db2.gz PMWDNZYMXRGZGT-YSIASYRMSA-N 2 1 373.541 3.069 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C)C1 ZINC000248184676 496970240 /nfs/dbraw/zinc/97/02/40/496970240.db2.gz XBOBAKABPFSLPY-UXLLHSPISA-N 2 1 366.347 3.348 20 0 FGADMP C[C@@H](CCNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000248429612 497009182 /nfs/dbraw/zinc/00/91/82/497009182.db2.gz AHFGJIALPXGYND-OALUTQOASA-N 2 1 352.567 3.205 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000192143486 497010975 /nfs/dbraw/zinc/01/09/75/497010975.db2.gz MLJFUNYPXWUIGN-LJQANCHMSA-N 2 1 357.498 3.106 20 0 FGADMP O[C@H](CCc1ccccc1)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000569212898 505879363 /nfs/dbraw/zinc/87/93/63/505879363.db2.gz YYCNXKNWXVEVAL-XZOQPEGZSA-N 2 1 352.522 3.134 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000248442764 497013082 /nfs/dbraw/zinc/01/30/82/497013082.db2.gz LBQGOBCCJWYXJT-KJJMTIBFSA-N 2 1 370.537 3.081 20 0 FGADMP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000248446439 497013541 /nfs/dbraw/zinc/01/35/41/497013541.db2.gz MYMAGBCBPVJQLT-HSALFYBXSA-N 2 1 362.489 3.397 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C12CCCC2 ZINC000248459070 497018729 /nfs/dbraw/zinc/01/87/29/497018729.db2.gz VJMVUIVUKALUPW-QHAWAJNXSA-N 2 1 358.526 3.081 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248459044 497019009 /nfs/dbraw/zinc/01/90/09/497019009.db2.gz VHWWHPVRSBWOKM-QFBILLFUSA-N 2 1 370.493 3.121 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000574904536 505880545 /nfs/dbraw/zinc/88/05/45/505880545.db2.gz ALJBTNQSSDIFCG-OAQYLSRUSA-N 2 1 367.497 3.272 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248576865 497046548 /nfs/dbraw/zinc/04/65/48/497046548.db2.gz NQAMXSJOHDDRIL-ZJOUEHCJSA-N 2 1 371.569 3.285 20 0 FGADMP Cc1ccccc1CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248576865 497046550 /nfs/dbraw/zinc/04/65/50/497046550.db2.gz NQAMXSJOHDDRIL-ZJOUEHCJSA-N 2 1 371.569 3.285 20 0 FGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000574917382 505882507 /nfs/dbraw/zinc/88/25/07/505882507.db2.gz UWDUZZVGBIDOET-JBYIUTFZSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn2c(n1)SCC2 ZINC000274326862 497071972 /nfs/dbraw/zinc/07/19/72/497071972.db2.gz ABRPQMNFCSLGMO-APWZRJJASA-N 2 1 356.539 3.032 20 0 FGADMP Cn1c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000248729045 497090492 /nfs/dbraw/zinc/09/04/92/497090492.db2.gz IVKJNBFTGBRPOB-DOTOQJQBSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[N@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2sc1=O ZINC000248729045 497090496 /nfs/dbraw/zinc/09/04/96/497090496.db2.gz IVKJNBFTGBRPOB-DOTOQJQBSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)cc2sc1=O ZINC000248729045 497090501 /nfs/dbraw/zinc/09/05/01/497090501.db2.gz IVKJNBFTGBRPOB-DOTOQJQBSA-N 2 1 357.523 3.049 20 0 FGADMP Cn1c2ccc(C[NH+]3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cc2sc1=O ZINC000248729045 497090505 /nfs/dbraw/zinc/09/05/05/497090505.db2.gz IVKJNBFTGBRPOB-DOTOQJQBSA-N 2 1 357.523 3.049 20 0 FGADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)c(C)o1 ZINC000278372967 497093005 /nfs/dbraw/zinc/09/30/05/497093005.db2.gz CJBJKTASECHUMM-OXQOHEQNSA-N 2 1 369.509 3.445 20 0 FGADMP CCn1nc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)c2ccccc21 ZINC000274468578 497104584 /nfs/dbraw/zinc/10/45/84/497104584.db2.gz VDGXLPHWONUKSU-UHFFFAOYSA-N 2 1 352.482 3.286 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[N@@H+]1Cc1ccccc1 ZINC000248814389 497108345 /nfs/dbraw/zinc/10/83/45/497108345.db2.gz DEWCIDZNWBRELE-MISYRCLQSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[N@H+]1Cc1ccccc1 ZINC000248814389 497108346 /nfs/dbraw/zinc/10/83/46/497108346.db2.gz DEWCIDZNWBRELE-MISYRCLQSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000248814389 497108349 /nfs/dbraw/zinc/10/83/49/497108349.db2.gz DEWCIDZNWBRELE-MISYRCLQSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CC3(CCC3)C(=O)O2)CC[NH+]1Cc1ccccc1 ZINC000248814389 497108352 /nfs/dbraw/zinc/10/83/52/497108352.db2.gz DEWCIDZNWBRELE-MISYRCLQSA-N 2 1 356.510 3.457 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000248823866 497110444 /nfs/dbraw/zinc/11/04/44/497110444.db2.gz ZBLFRNHDZXFULR-HLRQEUIKSA-N 2 1 370.537 3.345 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)c2)CCO1 ZINC000248823866 497110447 /nfs/dbraw/zinc/11/04/47/497110447.db2.gz ZBLFRNHDZXFULR-HLRQEUIKSA-N 2 1 370.537 3.345 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000248820937 497110648 /nfs/dbraw/zinc/11/06/48/497110648.db2.gz FOEOGXZMWVYJJG-RXVVDRJESA-N 2 1 364.493 3.156 20 0 FGADMP COc1cccc2c1CC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)C2 ZINC000192438093 497114472 /nfs/dbraw/zinc/11/44/72/497114472.db2.gz GRHXYRCJBMGPPD-OAQYLSRUSA-N 2 1 366.505 3.175 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000248888397 497126967 /nfs/dbraw/zinc/12/69/67/497126967.db2.gz YGAIMBQLRZYVSM-QHAWAJNXSA-N 2 1 363.590 3.359 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000248888397 497126970 /nfs/dbraw/zinc/12/69/70/497126970.db2.gz YGAIMBQLRZYVSM-QHAWAJNXSA-N 2 1 363.590 3.359 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000248888397 497126974 /nfs/dbraw/zinc/12/69/74/497126974.db2.gz YGAIMBQLRZYVSM-QHAWAJNXSA-N 2 1 363.590 3.359 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892343 497128505 /nfs/dbraw/zinc/12/85/05/497128505.db2.gz SGOSEKVBRZWKIX-UGKGYDQZSA-N 2 1 370.541 3.407 20 0 FGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278497592 497135582 /nfs/dbraw/zinc/13/55/82/497135582.db2.gz LJLVUAVHGOEPOI-ZWKOTPCHSA-N 2 1 361.530 3.057 20 0 FGADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278497592 497135586 /nfs/dbraw/zinc/13/55/86/497135586.db2.gz LJLVUAVHGOEPOI-ZWKOTPCHSA-N 2 1 361.530 3.057 20 0 FGADMP CC(C)OCCN1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885463 497190378 /nfs/dbraw/zinc/19/03/78/497190378.db2.gz IIVNBYUVVROVBC-UNMCSNQZSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000274885463 497190383 /nfs/dbraw/zinc/19/03/83/497190383.db2.gz IIVNBYUVVROVBC-UNMCSNQZSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)OCC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274885463 497190389 /nfs/dbraw/zinc/19/03/89/497190389.db2.gz IIVNBYUVVROVBC-UNMCSNQZSA-N 2 1 373.585 3.376 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C[C@@H]2CCCO2)C2CCC(C)CC2)CC1 ZINC000192747028 497202328 /nfs/dbraw/zinc/20/23/28/497202328.db2.gz WROFAIVQTOISCH-HRTMPFAESA-N 2 1 365.606 3.462 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000249477433 497209104 /nfs/dbraw/zinc/20/91/04/497209104.db2.gz VYQQGZXCEKYOAO-NSHGMRRFSA-N 2 1 361.530 3.049 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000249477433 497209108 /nfs/dbraw/zinc/20/91/08/497209108.db2.gz VYQQGZXCEKYOAO-NSHGMRRFSA-N 2 1 361.530 3.049 20 0 FGADMP CC(C)c1cc(N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000569263965 505892133 /nfs/dbraw/zinc/89/21/33/505892133.db2.gz RRERIHJMJJMOJS-SFHVURJKSA-N 2 1 368.529 3.019 20 0 FGADMP CC(C)c1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)nc(N(C)C)[nH+]1 ZINC000569263965 505892135 /nfs/dbraw/zinc/89/21/35/505892135.db2.gz RRERIHJMJJMOJS-SFHVURJKSA-N 2 1 368.529 3.019 20 0 FGADMP C[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237399902 497231324 /nfs/dbraw/zinc/23/13/24/497231324.db2.gz TTWCDKHHJYCGTR-YUXAGFNASA-N 2 1 365.521 3.446 20 0 FGADMP C[C@H](C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1)[C@@H]([NH3+])c1ccccc1 ZINC000237482776 497243220 /nfs/dbraw/zinc/24/32/20/497243220.db2.gz FDLZYWMVYUWYOJ-XGHQBKJUSA-N 2 1 367.493 3.354 20 0 FGADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000249764726 497245435 /nfs/dbraw/zinc/24/54/35/497245435.db2.gz OPWPAFDTEQESSJ-DYESRHJHSA-N 2 1 351.494 3.235 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H](C(N)=O)c3ccccc3)cc2)C1 ZINC000249764726 497245438 /nfs/dbraw/zinc/24/54/38/497245438.db2.gz OPWPAFDTEQESSJ-DYESRHJHSA-N 2 1 351.494 3.235 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000237524326 497250282 /nfs/dbraw/zinc/25/02/82/497250282.db2.gz NFDLILWUAAVMQZ-AVRDEDQJSA-N 2 1 365.521 3.420 20 0 FGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccccc1Br ZINC000192931558 497250454 /nfs/dbraw/zinc/25/04/54/497250454.db2.gz AQQJOVHFKJTNAV-AVOUXACISA-N 2 1 353.304 3.431 20 0 FGADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)nnn1-c1ccc(Cl)cc1 ZINC000278882951 497254408 /nfs/dbraw/zinc/25/44/08/497254408.db2.gz CUCBUMKQCBXNJY-HIFRSBDPSA-N 2 1 370.888 3.339 20 0 FGADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000574972491 505894851 /nfs/dbraw/zinc/89/48/51/505894851.db2.gz KXMMCBFSMFDCQC-XSDIEEQYSA-N 2 1 354.498 3.206 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237671513 497273554 /nfs/dbraw/zinc/27/35/54/497273554.db2.gz KGPKPEVRWLDALT-SFHVURJKSA-N 2 1 357.542 3.315 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275352028 497298165 /nfs/dbraw/zinc/29/81/65/497298165.db2.gz ACIGDYZVBAYSDO-RDJZCZTQSA-N 2 1 374.916 3.126 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000189948786 497303240 /nfs/dbraw/zinc/30/32/40/497303240.db2.gz CFVPSUGJPMOERF-QUCCMNQESA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H](NC(=O)N(C)CC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275392076 497311504 /nfs/dbraw/zinc/31/15/04/497311504.db2.gz COSIKWBHCREUHU-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000237940036 497317304 /nfs/dbraw/zinc/31/73/04/497317304.db2.gz MSBBOIWGOFZJDD-LEWJYISDSA-N 2 1 351.494 3.247 20 0 FGADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000275513129 497349176 /nfs/dbraw/zinc/34/91/76/497349176.db2.gz KNHDNWQCQXIVIC-HUUCEWRRSA-N 2 1 360.889 3.414 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000266596408 497378393 /nfs/dbraw/zinc/37/83/93/497378393.db2.gz OQQJGZFXIVAHTC-RHSMWYFYSA-N 2 1 355.320 3.146 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(Br)cc2)C1 ZINC000266596408 497378398 /nfs/dbraw/zinc/37/83/98/497378398.db2.gz OQQJGZFXIVAHTC-RHSMWYFYSA-N 2 1 355.320 3.146 20 0 FGADMP CC[C@@H]1c2ccsc2CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000255954245 497380074 /nfs/dbraw/zinc/38/00/74/497380074.db2.gz BNRIKCXMOUTYHV-RTBURBONSA-N 2 1 371.550 3.476 20 0 FGADMP CC[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000255954245 497380081 /nfs/dbraw/zinc/38/00/81/497380081.db2.gz BNRIKCXMOUTYHV-RTBURBONSA-N 2 1 371.550 3.476 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000275667014 497398164 /nfs/dbraw/zinc/39/81/64/497398164.db2.gz VKVDNVATGIQTEB-GJZGRUSLSA-N 2 1 360.889 3.414 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550201 497411360 /nfs/dbraw/zinc/41/13/60/497411360.db2.gz CBJZRYVRKBAFKE-PBHICJAKSA-N 2 1 355.320 3.193 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(Br)cc1 ZINC000193550174 497411113 /nfs/dbraw/zinc/41/11/13/497411113.db2.gz CBJZRYVRKBAFKE-YOEHRIQHSA-N 2 1 355.320 3.193 20 0 FGADMP O=C(CC[C@H]1CC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000261898627 497471104 /nfs/dbraw/zinc/47/11/04/497471104.db2.gz UUARMJHQXVMJPO-QFBILLFUSA-N 2 1 363.933 3.200 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000245668824 497495941 /nfs/dbraw/zinc/49/59/41/497495941.db2.gz FCTXJPYNMWFTFH-QYZOEREBSA-N 2 1 374.529 3.075 20 0 FGADMP CC(C)C[NH+]1CCO[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767657 497533119 /nfs/dbraw/zinc/53/31/19/497533119.db2.gz WQHANESJGAKVSA-GPJHCHHRSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767657 497533123 /nfs/dbraw/zinc/53/31/23/497533123.db2.gz WQHANESJGAKVSA-GPJHCHHRSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767657 497533125 /nfs/dbraw/zinc/53/31/25/497533125.db2.gz WQHANESJGAKVSA-GPJHCHHRSA-N 2 1 371.569 3.128 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C[C@H](C)O1 ZINC000194002206 497545190 /nfs/dbraw/zinc/54/51/90/497545190.db2.gz QYRUXWJFDDHRIH-MPMRWZLSSA-N 2 1 370.537 3.343 20 0 FGADMP C[C@H](CC(=O)N(C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000262668627 497596125 /nfs/dbraw/zinc/59/61/25/497596125.db2.gz QRTPNLOPWCHXCQ-GIVPXCGWSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000194270076 497619519 /nfs/dbraw/zinc/61/95/19/497619519.db2.gz YAWNDRFBRCWDJO-GOSISDBHSA-N 2 1 369.553 3.409 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000569372558 505919531 /nfs/dbraw/zinc/91/95/31/505919531.db2.gz WJDXDALSWKNVEK-INIZCTEOSA-N 2 1 364.559 3.086 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000569372558 505919533 /nfs/dbraw/zinc/91/95/33/505919533.db2.gz WJDXDALSWKNVEK-INIZCTEOSA-N 2 1 364.559 3.086 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@@](C)([NH3+])c3ccccc3)cc2)C1 ZINC000262851587 497637693 /nfs/dbraw/zinc/63/76/93/497637693.db2.gz KDBVEYOSGONOHG-JPYJTQIMSA-N 2 1 365.521 3.409 20 0 FGADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000246159787 497641973 /nfs/dbraw/zinc/64/19/73/497641973.db2.gz DWANTWZCNXRCPY-CEXWTWQISA-N 2 1 366.594 3.259 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272495195 497643569 /nfs/dbraw/zinc/64/35/69/497643569.db2.gz CYOXNZRMOFKKIH-ZWKOTPCHSA-N 2 1 356.470 3.492 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000268011165 497657937 /nfs/dbraw/zinc/65/79/37/497657937.db2.gz GUSDSNAJBTTYBV-GOSISDBHSA-N 2 1 357.523 3.377 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272564214 497664288 /nfs/dbraw/zinc/66/42/88/497664288.db2.gz GZLMXJMIEJRDEW-RXVVDRJESA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ncccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564214 497664290 /nfs/dbraw/zinc/66/42/90/497664290.db2.gz GZLMXJMIEJRDEW-RXVVDRJESA-N 2 1 369.509 3.107 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C(=O)N(C)C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272586059 497670721 /nfs/dbraw/zinc/67/07/21/497670721.db2.gz WSBJXCRWSOTLPH-PGRDOPGGSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000246333311 497698208 /nfs/dbraw/zinc/69/82/08/497698208.db2.gz IGICMKPWJFRZLM-WOJBJXKFSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2sccc2CN(C)C)C[N@H+]1Cc1ccccc1 ZINC000268224076 497704784 /nfs/dbraw/zinc/70/47/84/497704784.db2.gz QZECDHRFPNVMJN-CRAIPNDOSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C[N@H+]1Cc1ccccc1 ZINC000268224076 497704790 /nfs/dbraw/zinc/70/47/90/497704790.db2.gz QZECDHRFPNVMJN-CRAIPNDOSA-N 2 1 357.523 3.203 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)cc1 ZINC000246446437 497737197 /nfs/dbraw/zinc/73/71/97/497737197.db2.gz NPDAFYNOUCMIPQ-HNAYVOBHSA-N 2 1 351.454 3.365 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000272859873 497746358 /nfs/dbraw/zinc/74/63/58/497746358.db2.gz ICDAQTCDEFGVFS-QGZVFWFLSA-N 2 1 374.529 3.179 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246496102 497753380 /nfs/dbraw/zinc/75/33/80/497753380.db2.gz YVIRHWMHJLYMJE-CEXWTWQISA-N 2 1 373.541 3.225 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000246870841 497817916 /nfs/dbraw/zinc/81/79/16/497817916.db2.gz JNNJXSVBLAIKHN-ABSDTBQOSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000246900597 497819434 /nfs/dbraw/zinc/81/94/34/497819434.db2.gz FVNMYRJWFJZMAX-DLBZAZTESA-N 2 1 352.544 3.395 20 0 FGADMP Cn1cncc1Cc1noc([C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)n1 ZINC000329596428 497840395 /nfs/dbraw/zinc/84/03/95/497840395.db2.gz IPEVOMQMIFIWMY-HNNXBMFYSA-N 2 1 366.469 3.368 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280653547 497843611 /nfs/dbraw/zinc/84/36/11/497843611.db2.gz WOTNDIQDRRPXNS-UHFFFAOYSA-N 2 1 367.497 3.438 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCC[N@@H+]2CC=CCC2)c1 ZINC000280653547 497843618 /nfs/dbraw/zinc/84/36/18/497843618.db2.gz WOTNDIQDRRPXNS-UHFFFAOYSA-N 2 1 367.497 3.438 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CCc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000578434690 505938743 /nfs/dbraw/zinc/93/87/43/505938743.db2.gz MGSZTIGWJPJIJO-CQSZACIVSA-N 2 1 360.889 3.397 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000364362919 497921725 /nfs/dbraw/zinc/92/17/25/497921725.db2.gz QICZWYOUVPBKLL-HXUWFJFHSA-N 2 1 366.509 3.267 20 0 FGADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000364362919 497921734 /nfs/dbraw/zinc/92/17/34/497921734.db2.gz QICZWYOUVPBKLL-HXUWFJFHSA-N 2 1 366.509 3.267 20 0 FGADMP C[C@H]1CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292281344 497952585 /nfs/dbraw/zinc/95/25/85/497952585.db2.gz LMRQTBDXHCLHKK-NZQKXSOJSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@H]1CN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292281344 497952594 /nfs/dbraw/zinc/95/25/94/497952594.db2.gz LMRQTBDXHCLHKK-NZQKXSOJSA-N 2 1 371.569 3.084 20 0 FGADMP C[C@H]1CN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292281344 497952598 /nfs/dbraw/zinc/95/25/98/497952598.db2.gz LMRQTBDXHCLHKK-NZQKXSOJSA-N 2 1 371.569 3.084 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296204769 497955401 /nfs/dbraw/zinc/95/54/01/497955401.db2.gz ZCPTWUIOOUAFGV-KRWDZBQOSA-N 2 1 350.938 3.120 20 0 FGADMP NC(=O)c1csc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000364438558 497958354 /nfs/dbraw/zinc/95/83/54/497958354.db2.gz MWSHMGXABKGBIK-UHFFFAOYSA-N 2 1 369.534 3.335 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500163 505955760 /nfs/dbraw/zinc/95/57/60/505955760.db2.gz OWLUARAZEXLYLO-DHIUTWEWSA-N 2 1 352.522 3.482 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCc1ccccc1 ZINC000581369472 505972858 /nfs/dbraw/zinc/97/28/58/505972858.db2.gz BZOLSQOJTJRVIE-WOJBJXKFSA-N 2 1 352.478 3.316 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCc1ccccc1 ZINC000581369472 505972860 /nfs/dbraw/zinc/97/28/60/505972860.db2.gz BZOLSQOJTJRVIE-WOJBJXKFSA-N 2 1 352.478 3.316 20 0 FGADMP CC[NH+](CC)[C@H](c1nc([C@@H]2CN(C(C)C)CCO2)no1)c1ccccc1 ZINC000285461621 498093682 /nfs/dbraw/zinc/09/36/82/498093682.db2.gz QSHWMNSLPLANLY-ROUUACIJSA-N 2 1 358.486 3.283 20 0 FGADMP COC[C@H]([NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1)C1CCCC1 ZINC000364732965 498120038 /nfs/dbraw/zinc/12/00/38/498120038.db2.gz ICKCWRHMQUVRNV-IBGZPJMESA-N 2 1 351.560 3.458 20 0 FGADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000296617421 498123665 /nfs/dbraw/zinc/12/36/65/498123665.db2.gz ZNTARIDAVWLIMF-MRXNPFEDSA-N 2 1 371.294 3.012 20 0 FGADMP C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578652726 505990320 /nfs/dbraw/zinc/99/03/20/505990320.db2.gz VSVGIAKLTFASCA-ILXRZTDVSA-N 2 1 369.431 3.354 20 0 FGADMP C[C@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289585691 498204948 /nfs/dbraw/zinc/20/49/48/498204948.db2.gz IFWZCBCZMULQIX-NRDMVMEKSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C[NH+]2CCC(C)(C)C2)cc1 ZINC000581522717 506006848 /nfs/dbraw/zinc/00/68/48/506006848.db2.gz ANWMFTMLWPIJED-SFHVURJKSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000581522717 506006849 /nfs/dbraw/zinc/00/68/49/506006849.db2.gz ANWMFTMLWPIJED-SFHVURJKSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)C[N@H+]2CCC(C)(C)C2)cc1 ZINC000581522717 506006851 /nfs/dbraw/zinc/00/68/51/506006851.db2.gz ANWMFTMLWPIJED-SFHVURJKSA-N 2 1 357.542 3.409 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000360675471 498296945 /nfs/dbraw/zinc/29/69/45/498296945.db2.gz WWNYSVVPFYEPAB-UHFFFAOYSA-N 2 1 370.472 3.398 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000360871160 498317998 /nfs/dbraw/zinc/31/79/98/498317998.db2.gz KTSSBQWHEWWVSC-OQEHDIDLSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000360871160 498318002 /nfs/dbraw/zinc/31/80/02/498318002.db2.gz KTSSBQWHEWWVSC-OQEHDIDLSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000360871160 498318009 /nfs/dbraw/zinc/31/80/09/498318009.db2.gz KTSSBQWHEWWVSC-OQEHDIDLSA-N 3 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000360871160 498318015 /nfs/dbraw/zinc/31/80/15/498318015.db2.gz KTSSBQWHEWWVSC-OQEHDIDLSA-N 2 1 365.606 3.224 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000360871160 498318021 /nfs/dbraw/zinc/31/80/21/498318021.db2.gz KTSSBQWHEWWVSC-OQEHDIDLSA-N 2 1 365.606 3.224 20 0 FGADMP COC[C@H]([NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)c1ccc(F)c(F)c1 ZINC000361035436 498336259 /nfs/dbraw/zinc/33/62/59/498336259.db2.gz ZOFFYMOEBZRKIJ-NVRFMJDISA-N 2 1 368.468 3.131 20 0 FGADMP c1[nH+]c([C@H]2CCCN(Cc3nncn3-c3ccccc3)C2)n2c1CCCC2 ZINC000281992887 498348028 /nfs/dbraw/zinc/34/80/28/498348028.db2.gz IICUTTQNNLXZMC-KRWDZBQOSA-N 2 1 362.481 3.180 20 0 FGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572647141 506020132 /nfs/dbraw/zinc/02/01/32/506020132.db2.gz BUNCRJHGIPWDIR-SFHVURJKSA-N 2 1 357.523 3.156 20 0 FGADMP CN(C(=O)c1sccc1C[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000572647141 506020136 /nfs/dbraw/zinc/02/01/36/506020136.db2.gz BUNCRJHGIPWDIR-SFHVURJKSA-N 2 1 357.523 3.156 20 0 FGADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)oc1C ZINC000282034479 498365690 /nfs/dbraw/zinc/36/56/90/498365690.db2.gz LAVJPPMAJCHHCU-HNNXBMFYSA-N 2 1 357.454 3.287 20 0 FGADMP O=C1O[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CCC2 ZINC000293408974 498375634 /nfs/dbraw/zinc/37/56/34/498375634.db2.gz RWTQVMTZXZETHW-FQEVSTJZSA-N 2 1 368.521 3.460 20 0 FGADMP COc1ccc(F)c(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)c1 ZINC000293472339 498396980 /nfs/dbraw/zinc/39/69/80/498396980.db2.gz FCQJSLYGLFZMSC-UHFFFAOYSA-N 2 1 361.461 3.441 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)NC(=O)CO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293530254 498404692 /nfs/dbraw/zinc/40/46/92/498404692.db2.gz DTZVPERNIXHUGN-VQIMIIECSA-N 2 1 365.477 3.018 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572718613 506035526 /nfs/dbraw/zinc/03/55/26/506035526.db2.gz MOCCKQHQUMEGDD-RZAIGCCYSA-N 2 1 367.896 3.260 20 0 FGADMP CCOc1cc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc(Br)c1O ZINC000297447828 498451138 /nfs/dbraw/zinc/45/11/38/498451138.db2.gz OWOQRMYWIVDDNR-DOMZBBRYSA-N 2 1 371.319 3.325 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000578878551 506043546 /nfs/dbraw/zinc/04/35/46/506043546.db2.gz BIEZNLDLPOOTJI-UHFFFAOYSA-N 2 1 352.526 3.341 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000578878551 506043549 /nfs/dbraw/zinc/04/35/49/506043549.db2.gz BIEZNLDLPOOTJI-UHFFFAOYSA-N 3 1 352.526 3.341 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000578878551 506043550 /nfs/dbraw/zinc/04/35/50/506043550.db2.gz BIEZNLDLPOOTJI-UHFFFAOYSA-N 3 1 352.526 3.341 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431890 498509548 /nfs/dbraw/zinc/50/95/48/498509548.db2.gz HNICGMFWSFIAFT-RBUKOAKNSA-N 2 1 356.510 3.363 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431890 498509557 /nfs/dbraw/zinc/50/95/57/498509557.db2.gz HNICGMFWSFIAFT-RBUKOAKNSA-N 2 1 356.510 3.363 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000290328756 498510792 /nfs/dbraw/zinc/51/07/92/498510792.db2.gz DNHHPTRXOJOTFU-INIZCTEOSA-N 2 1 359.905 3.084 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000365538548 498522173 /nfs/dbraw/zinc/52/21/73/498522173.db2.gz NEHRDZARCPFWFU-ACRUOGEOSA-N 2 1 355.526 3.085 20 0 FGADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)C[C@@H](c1ncc[nH]1)c1ccccc1 ZINC000569921666 506048115 /nfs/dbraw/zinc/04/81/15/506048115.db2.gz AYAQMDBOFAFWSP-RBUKOAKNSA-N 2 1 354.498 3.265 20 0 FGADMP Cc1ccncc1CCC[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000290376349 498528032 /nfs/dbraw/zinc/52/80/32/498528032.db2.gz NRXGQQBGPBVZBG-JOCHJYFZSA-N 2 1 353.510 3.069 20 0 FGADMP c1ccc(C[NH+]2CCC(OCCC[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000297714479 498545447 /nfs/dbraw/zinc/54/54/47/498545447.db2.gz RINUMPLFVUIINQ-UHFFFAOYSA-N 3 1 371.569 3.274 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1OC(F)F)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000576016181 506056669 /nfs/dbraw/zinc/05/66/69/506056669.db2.gz LFLOSYGJURTQJX-ZFWWWQNUSA-N 2 1 367.440 3.079 20 0 FGADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH+](C)C)cc3)CC2)[nH+]c1 ZINC000363040842 498617104 /nfs/dbraw/zinc/61/71/04/498617104.db2.gz DWOOMPNFVQQYFG-UHFFFAOYSA-N 2 1 352.482 3.307 20 0 FGADMP Cn1cc([C@H]2[C@H](CNCc3csc(C(C)(C)C)n3)CCC[N@H+]2C)cn1 ZINC000363177709 498688249 /nfs/dbraw/zinc/68/82/49/498688249.db2.gz XNIZSYUYQOJCDX-WMLDXEAASA-N 2 1 361.559 3.347 20 0 FGADMP Cn1cc([C@H]2[C@H](C[NH2+]Cc3csc(C(C)(C)C)n3)CCCN2C)cn1 ZINC000363177709 498688256 /nfs/dbraw/zinc/68/82/56/498688256.db2.gz XNIZSYUYQOJCDX-WMLDXEAASA-N 2 1 361.559 3.347 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000294466368 498701595 /nfs/dbraw/zinc/70/15/95/498701595.db2.gz NBLYOMKTNJFKMM-UHFFFAOYSA-N 2 1 363.465 3.039 20 0 FGADMP CC[C@H]1CCC[C@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365950216 498708081 /nfs/dbraw/zinc/70/80/81/498708081.db2.gz XLHHFFMRNRRLMJ-AZUAARDMSA-N 2 1 364.578 3.061 20 0 FGADMP CC[C@@H](C(=O)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1)c1ccccc1 ZINC000298259006 498713097 /nfs/dbraw/zinc/71/30/97/498713097.db2.gz FILFGHUDTHDNAL-JOCHJYFZSA-N 2 1 369.553 3.388 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977443 498718887 /nfs/dbraw/zinc/71/88/87/498718887.db2.gz HDGYQHGXAMQSSM-HSZRJFAPSA-N 2 1 371.569 3.085 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000365977443 498718893 /nfs/dbraw/zinc/71/88/93/498718893.db2.gz HDGYQHGXAMQSSM-HSZRJFAPSA-N 2 1 371.569 3.085 20 0 FGADMP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3N(C)C3CC[NH+](C)CC3)C2)c1 ZINC000290987826 498746415 /nfs/dbraw/zinc/74/64/15/498746415.db2.gz USVWJPFLBLFAAI-NRFANRHFSA-N 2 1 367.541 3.169 20 0 FGADMP FC(F)(F)COCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311213782 498749603 /nfs/dbraw/zinc/74/96/03/498749603.db2.gz LYDUMKGPHJPSOR-ZWKOTPCHSA-N 2 1 356.432 3.409 20 0 FGADMP FC(F)(F)COCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000311213782 498749606 /nfs/dbraw/zinc/74/96/06/498749606.db2.gz LYDUMKGPHJPSOR-ZWKOTPCHSA-N 2 1 356.432 3.409 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000312120546 498758370 /nfs/dbraw/zinc/75/83/70/498758370.db2.gz UXAIEPAVBVJKGD-JYAXBFRTSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000312120546 498758374 /nfs/dbraw/zinc/75/83/74/498758374.db2.gz UXAIEPAVBVJKGD-JYAXBFRTSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312120546 498758378 /nfs/dbraw/zinc/75/83/78/498758378.db2.gz UXAIEPAVBVJKGD-JYAXBFRTSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000312120546 498758384 /nfs/dbraw/zinc/75/83/84/498758384.db2.gz UXAIEPAVBVJKGD-JYAXBFRTSA-N 2 1 357.542 3.134 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098753 506089849 /nfs/dbraw/zinc/08/98/49/506089849.db2.gz WKHHPVAJVQXRTB-AEFFLSMTSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098753 506089851 /nfs/dbraw/zinc/08/98/51/506089851.db2.gz WKHHPVAJVQXRTB-AEFFLSMTSA-N 2 1 363.571 3.211 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)N3CCC[C@H]3C)C2)s1 ZINC000570098753 506089855 /nfs/dbraw/zinc/08/98/55/506089855.db2.gz WKHHPVAJVQXRTB-AEFFLSMTSA-N 2 1 363.571 3.211 20 0 FGADMP COCCC[NH+]1CCC([NH2+]Cc2c(C)nc3scc(C4CC4)n23)CC1 ZINC000298556412 498811952 /nfs/dbraw/zinc/81/19/52/498811952.db2.gz VJOZPQTWCCYGIV-UHFFFAOYSA-N 2 1 362.543 3.172 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000363498509 498849500 /nfs/dbraw/zinc/84/95/00/498849500.db2.gz ZCMABQJZQCJUPW-HXUWFJFHSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000283366973 498863745 /nfs/dbraw/zinc/86/37/45/498863745.db2.gz NQXLNLYQHDBEGZ-ZHHKINOHSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC3(CCOCC3)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000283366973 498863749 /nfs/dbraw/zinc/86/37/49/498863749.db2.gz NQXLNLYQHDBEGZ-ZHHKINOHSA-N 2 1 372.553 3.197 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)CC1 ZINC000294998159 498874740 /nfs/dbraw/zinc/87/47/40/498874740.db2.gz LUNPOADPRZLNBN-OXQOHEQNSA-N 2 1 361.505 3.340 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324452 498874826 /nfs/dbraw/zinc/87/48/26/498874826.db2.gz AXZPMEWSEVEKRG-APWZRJJASA-N 2 1 351.922 3.358 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000363581378 498888728 /nfs/dbraw/zinc/88/87/28/498888728.db2.gz XDKGZHYLRYCOLS-GOSISDBHSA-N 2 1 361.534 3.053 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175854 506109641 /nfs/dbraw/zinc/10/96/41/506109641.db2.gz RDNRXVXFDDIIPH-ZTFGCOKTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175854 506109644 /nfs/dbraw/zinc/10/96/44/506109644.db2.gz RDNRXVXFDDIIPH-ZTFGCOKTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175854 506109647 /nfs/dbraw/zinc/10/96/47/506109647.db2.gz RDNRXVXFDDIIPH-ZTFGCOKTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175854 506109648 /nfs/dbraw/zinc/10/96/48/506109648.db2.gz RDNRXVXFDDIIPH-ZTFGCOKTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000579175854 506109651 /nfs/dbraw/zinc/10/96/51/506109651.db2.gz RDNRXVXFDDIIPH-ZTFGCOKTSA-N 2 1 366.937 3.113 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H](C[NH+]3CCCC3)C2)cc[nH+]1 ZINC000328705382 498909007 /nfs/dbraw/zinc/90/90/07/498909007.db2.gz PFJVJFIXSXGJFV-HBFSDRIKSA-N 2 1 373.545 3.014 20 0 FGADMP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000366430250 498924261 /nfs/dbraw/zinc/92/42/61/498924261.db2.gz ICZAIBVQWYBCRB-MNNVXMFVSA-N 2 1 365.543 3.116 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000579186954 506112580 /nfs/dbraw/zinc/11/25/80/506112580.db2.gz SIPAETYRUJBBDL-GHTZIAJQSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[C@H]1OCCC[C@H]1Nc1cc(N2CCC3(CCC[N@H+]3C)CC2)ncn1 ZINC000333217468 498940632 /nfs/dbraw/zinc/94/06/32/498940632.db2.gz QXNIGIARTYATRN-YLJYHZDGSA-N 2 1 373.545 3.157 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN(Cc3ccncc3)C3CC3)C2)cc1 ZINC000573113101 506121208 /nfs/dbraw/zinc/12/12/08/506121208.db2.gz DZUCNHFOMHCFPB-JOCHJYFZSA-N 2 1 351.494 3.337 20 0 FGADMP C[C@H]1[C@@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000288265405 498980806 /nfs/dbraw/zinc/98/08/06/498980806.db2.gz PLQNPYWETWNEED-AVRDEDQJSA-N 2 1 374.488 3.324 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4c(O)cccc43)CC2)nc(C)[nH+]1 ZINC000284256373 499076641 /nfs/dbraw/zinc/07/66/41/499076641.db2.gz VZHGAGFYKBHLTC-IBGZPJMESA-N 2 1 352.482 3.435 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4nn(C)cc43)CC2)cs1 ZINC000366855382 499095708 /nfs/dbraw/zinc/09/57/08/499095708.db2.gz FGDLUDZZKDUISB-GOSISDBHSA-N 2 1 359.543 3.064 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2C1 ZINC000372513646 499136970 /nfs/dbraw/zinc/13/69/70/499136970.db2.gz PKARVGCDJNAOJL-JLTOFOAXSA-N 2 1 358.461 3.050 20 0 FGADMP CN1CC[C@@H](C[N@H+](C)C[C@@H](O)c2c(F)cccc2F)[C@@H]1c1cccnc1 ZINC000372520894 499138005 /nfs/dbraw/zinc/13/80/05/499138005.db2.gz HNBINBZJVQMEAI-CVAIRZPRSA-N 2 1 361.436 3.018 20 0 FGADMP CN1CC[C@@H](C[N@@H+](C)C[C@@H](O)c2c(F)cccc2F)[C@@H]1c1cccnc1 ZINC000372520894 499138007 /nfs/dbraw/zinc/13/80/07/499138007.db2.gz HNBINBZJVQMEAI-CVAIRZPRSA-N 2 1 361.436 3.018 20 0 FGADMP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000372537965 499142460 /nfs/dbraw/zinc/14/24/60/499142460.db2.gz DKWLLBCHXMWVAQ-PMACEKPBSA-N 2 1 360.546 3.275 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904981 499149351 /nfs/dbraw/zinc/14/93/51/499149351.db2.gz UERBNWVXVWEJHH-LAUBAEHRSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904981 499149353 /nfs/dbraw/zinc/14/93/53/499149353.db2.gz UERBNWVXVWEJHH-LAUBAEHRSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904981 499149354 /nfs/dbraw/zinc/14/93/54/499149354.db2.gz UERBNWVXVWEJHH-LAUBAEHRSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904981 499149355 /nfs/dbraw/zinc/14/93/55/499149355.db2.gz UERBNWVXVWEJHH-LAUBAEHRSA-N 2 1 351.494 3.128 20 0 FGADMP CCOC1CC(C[N@@H+](C)[C@@H]2CCC[NH+](CC3CC(OCC)C3)CC2)C1 ZINC000367222552 499163955 /nfs/dbraw/zinc/16/39/55/499163955.db2.gz CVUIZJNKPJHUKR-PSTSCRTLSA-N 2 1 352.563 3.403 20 0 FGADMP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370160837 499190074 /nfs/dbraw/zinc/19/00/74/499190074.db2.gz IMSYQSPLMFAODD-MAUKXSAKSA-N 2 1 358.511 3.064 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000370298246 499206984 /nfs/dbraw/zinc/20/69/84/499206984.db2.gz DJCQWADJZPJXIH-IRXDYDNUSA-N 2 1 363.550 3.157 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300511 499207352 /nfs/dbraw/zinc/20/73/52/499207352.db2.gz XBCHRKOGDIARNY-RTWAWAEBSA-N 2 1 358.526 3.216 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@H]3CCCC34CCOCC4)C2)cc1 ZINC000370300511 499207353 /nfs/dbraw/zinc/20/73/53/499207353.db2.gz XBCHRKOGDIARNY-RTWAWAEBSA-N 2 1 358.526 3.216 20 0 FGADMP CC[C@H](C)CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000367593883 499215847 /nfs/dbraw/zinc/21/58/47/499215847.db2.gz IPVKZYHPKIDGQT-SFHVURJKSA-N 2 1 351.579 3.467 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000367605900 499217014 /nfs/dbraw/zinc/21/70/14/499217014.db2.gz IIAPBLUIRFPRDB-QHAWAJNXSA-N 2 1 355.526 3.275 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000367681871 499224414 /nfs/dbraw/zinc/22/44/14/499224414.db2.gz DHQOXUAHWKOVOU-GOSISDBHSA-N 2 1 354.498 3.249 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000370677639 499243382 /nfs/dbraw/zinc/24/33/82/499243382.db2.gz OVZRRWOZSPQQDN-RBBKRZOGSA-N 2 1 363.505 3.095 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000370763847 499252475 /nfs/dbraw/zinc/25/24/75/499252475.db2.gz PWJXGYVJMUVZPB-RCZSKKKRSA-N 2 1 365.521 3.351 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368018900 499255800 /nfs/dbraw/zinc/25/58/00/499255800.db2.gz KINIQWILMPKERE-MJKGWSOKSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368018900 499255801 /nfs/dbraw/zinc/25/58/01/499255801.db2.gz KINIQWILMPKERE-MJKGWSOKSA-N 2 1 360.498 3.092 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@@H+]1Cc1ccccc1 ZINC000368029494 499257050 /nfs/dbraw/zinc/25/70/50/499257050.db2.gz JMBZTSHDVZVCBK-NVXWUHKLSA-N 2 1 373.522 3.189 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+]Cc2cnc(C3OCCO3)s2)C[N@H+]1Cc1ccccc1 ZINC000368029494 499257051 /nfs/dbraw/zinc/25/70/51/499257051.db2.gz JMBZTSHDVZVCBK-NVXWUHKLSA-N 2 1 373.522 3.189 20 0 FGADMP COCCC1(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CCCCC1 ZINC000368052707 499260012 /nfs/dbraw/zinc/26/00/12/499260012.db2.gz XWUFFHLIBGSEAD-IBGZPJMESA-N 2 1 351.579 3.074 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1F ZINC000368279723 499281022 /nfs/dbraw/zinc/28/10/22/499281022.db2.gz PPBAXHKQKKNXQM-CQSZACIVSA-N 2 1 358.461 3.229 20 0 FGADMP Cc1nn2c(C[N@@H+](C)CC3CCN(c4cc[nH+]cc4)CC3)c(C)nc2s1 ZINC000368299990 499283336 /nfs/dbraw/zinc/28/33/36/499283336.db2.gz LCEIRUNHILEYIK-UHFFFAOYSA-N 2 1 370.526 3.151 20 0 FGADMP Cc1ccccc1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371083000 499287108 /nfs/dbraw/zinc/28/71/08/499287108.db2.gz ZHXXKWCUXQINQV-UHFFFAOYSA-N 2 1 358.530 3.313 20 0 FGADMP CCn1c(C)cc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1C ZINC000371087069 499287354 /nfs/dbraw/zinc/28/73/54/499287354.db2.gz AOUVVMJIHJJTMB-UHFFFAOYSA-N 2 1 374.573 3.051 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@@H](CN3CCC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000368505029 499302687 /nfs/dbraw/zinc/30/26/87/499302687.db2.gz TYIPWITXDJVLLQ-DHIUTWEWSA-N 2 1 371.569 3.228 20 0 FGADMP CCCC[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368522694 499304268 /nfs/dbraw/zinc/30/42/68/499304268.db2.gz QSWMRCFJMHLTFI-GOSISDBHSA-N 2 1 351.579 3.467 20 0 FGADMP Cc1cccc(C)c1OCCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371302988 499307722 /nfs/dbraw/zinc/30/77/22/499307722.db2.gz LXUAVRRDRQQFBO-NHCUHLMSSA-N 2 1 359.558 3.030 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(C[C@@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329592 499310730 /nfs/dbraw/zinc/31/07/30/499310730.db2.gz KXWNHJMXSKEQGZ-QZTJIDSGSA-N 2 1 357.546 3.058 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000371335339 499312055 /nfs/dbraw/zinc/31/20/55/499312055.db2.gz JPKNKRPEQFXYCA-SFHVURJKSA-N 2 1 362.587 3.401 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(C4CCCC4)s3)C2)CC1 ZINC000371335339 499312057 /nfs/dbraw/zinc/31/20/57/499312057.db2.gz JPKNKRPEQFXYCA-SFHVURJKSA-N 2 1 362.587 3.401 20 0 FGADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000368692095 499322418 /nfs/dbraw/zinc/32/24/18/499322418.db2.gz LPBVXEXAPDHMMB-SFHVURJKSA-N 2 1 370.522 3.256 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C(F)(F)F)C2 ZINC000371489850 499333498 /nfs/dbraw/zinc/33/34/98/499333498.db2.gz ALLGOWCQDLTOAK-STQMWFEESA-N 2 1 366.387 3.142 20 0 FGADMP CC(C)C(C)(C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368939454 499348947 /nfs/dbraw/zinc/34/89/47/499348947.db2.gz CIEKXWAEURVJER-UHFFFAOYSA-N 2 1 351.579 3.323 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000371765737 499363368 /nfs/dbraw/zinc/36/33/68/499363368.db2.gz MRGNBKYVGITBSU-LJQANCHMSA-N 2 1 354.498 3.373 20 0 FGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000369349077 499394234 /nfs/dbraw/zinc/39/42/34/499394234.db2.gz WTDRIUNJBSWWRM-KRWDZBQOSA-N 2 1 353.963 3.144 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCSc3ccc(Cl)cc3)CC2)C1 ZINC000369349077 499394235 /nfs/dbraw/zinc/39/42/35/499394235.db2.gz WTDRIUNJBSWWRM-KRWDZBQOSA-N 2 1 353.963 3.144 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000576385705 506145414 /nfs/dbraw/zinc/14/54/14/506145414.db2.gz DLOLNLHFJIOKKH-MSOLQXFVSA-N 2 1 371.525 3.161 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H]2CCCCCN2C(=O)C2CC2)CC1 ZINC000372424838 499433114 /nfs/dbraw/zinc/43/31/14/499433114.db2.gz IMVIRSMFJMGYQC-LEWJYISDSA-N 2 1 361.574 3.364 20 0 FGADMP CC(C)c1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373447181 499470253 /nfs/dbraw/zinc/47/02/53/499470253.db2.gz HWLOFYUNZHMREX-QWFCFKBJSA-N 2 1 373.541 3.228 20 0 FGADMP COCCn1ncc2c1[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000375197353 499494422 /nfs/dbraw/zinc/49/44/22/499494422.db2.gz LZGKVZAJISXKJK-FQEVSTJZSA-N 2 1 360.546 3.294 20 0 FGADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000378268109 499496505 /nfs/dbraw/zinc/49/65/05/499496505.db2.gz DDJLBZMBKOCOHM-UHFFFAOYSA-N 2 1 361.511 3.337 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)c1 ZINC000378351547 499505504 /nfs/dbraw/zinc/50/55/04/499505504.db2.gz AGLPHTUHAREKBE-IBGZPJMESA-N 2 1 355.526 3.085 20 0 FGADMP CCCOc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000378370817 499508128 /nfs/dbraw/zinc/50/81/28/499508128.db2.gz MPGKXGUIFPHCQS-NLWGTHIKSA-N 2 1 362.514 3.168 20 0 FGADMP CCCOc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1OC ZINC000378370817 499508129 /nfs/dbraw/zinc/50/81/29/499508129.db2.gz MPGKXGUIFPHCQS-NLWGTHIKSA-N 2 1 362.514 3.168 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](c3cnn(C)c3)c3ccccc3)CC2)[nH+]1 ZINC000375522302 499528397 /nfs/dbraw/zinc/52/83/97/499528397.db2.gz GVSKOJDLEPHBBO-QFIPXVFZSA-N 2 1 361.493 3.472 20 0 FGADMP C[C@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381942244 499545173 /nfs/dbraw/zinc/54/51/73/499545173.db2.gz ZFFSXIMUTSGDCO-YJBOKZPZSA-N 2 1 366.431 3.446 20 0 FGADMP COc1ccc([C@@H](C)NCc2cnc(N(C)C)n2C)cc1Br ZINC000387180081 499549964 /nfs/dbraw/zinc/54/99/64/499549964.db2.gz ZATYSAGXOZJKCF-LLVKDONJSA-N 2 1 367.291 3.108 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000389105740 499552268 /nfs/dbraw/zinc/55/22/68/499552268.db2.gz PBMVOCMEGIYPLU-FXAWDEMLSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000389845319 499553264 /nfs/dbraw/zinc/55/32/64/499553264.db2.gz NEKWVQHRFYZBFZ-JRGCBEDISA-N 2 1 351.494 3.103 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390528087 499554768 /nfs/dbraw/zinc/55/47/68/499554768.db2.gz DACNRUDSBJNULM-NRFANRHFSA-N 2 1 365.521 3.437 20 0 FGADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cc1 ZINC000390528087 499554770 /nfs/dbraw/zinc/55/47/70/499554770.db2.gz DACNRUDSBJNULM-NRFANRHFSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc32)C1 ZINC000582176191 506151304 /nfs/dbraw/zinc/15/13/04/506151304.db2.gz HCINFNRCZSOSOS-ZWKOTPCHSA-N 2 1 359.514 3.009 20 0 FGADMP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000409648632 499611965 /nfs/dbraw/zinc/61/19/65/499611965.db2.gz SVAFKYMBHPVKGZ-IBGZPJMESA-N 2 1 365.521 3.072 20 0 FGADMP C[C@@H](C(=O)NCCC[NH+](C)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000409648632 499611967 /nfs/dbraw/zinc/61/19/67/499611967.db2.gz SVAFKYMBHPVKGZ-IBGZPJMESA-N 2 1 365.521 3.072 20 0 FGADMP C[C@@H](C(=O)NCCC[NH+](C)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000409648632 499611968 /nfs/dbraw/zinc/61/19/68/499611968.db2.gz SVAFKYMBHPVKGZ-IBGZPJMESA-N 2 1 365.521 3.072 20 0 FGADMP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000409648632 499611969 /nfs/dbraw/zinc/61/19/69/499611969.db2.gz SVAFKYMBHPVKGZ-IBGZPJMESA-N 2 1 365.521 3.072 20 0 FGADMP C[C@@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000409648632 499611970 /nfs/dbraw/zinc/61/19/70/499611970.db2.gz SVAFKYMBHPVKGZ-IBGZPJMESA-N 2 1 365.521 3.072 20 0 FGADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000376567589 499619505 /nfs/dbraw/zinc/61/95/05/499619505.db2.gz XOYKOMFTJQZTFG-KMFTYDHNSA-N 2 1 373.516 3.171 20 0 FGADMP CC[NH+](CC)CCCNC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000410360655 499657454 /nfs/dbraw/zinc/65/74/54/499657454.db2.gz SCUOMPBFSDMWMJ-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1)C1CC[NH+](C)CC1 ZINC000377235692 499672688 /nfs/dbraw/zinc/67/26/88/499672688.db2.gz DAVASMGOHOQVDC-UYAOXDASSA-N 2 1 357.542 3.075 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccs1 ZINC000579354138 506154701 /nfs/dbraw/zinc/15/47/01/506154701.db2.gz QTNYWYXVIULZFK-SJORKVTESA-N 2 1 358.507 3.377 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCc1cccs1 ZINC000579354138 506154704 /nfs/dbraw/zinc/15/47/04/506154704.db2.gz QTNYWYXVIULZFK-SJORKVTESA-N 2 1 358.507 3.377 20 0 FGADMP COc1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000377362083 499683481 /nfs/dbraw/zinc/68/34/81/499683481.db2.gz ZUMHBGPLAGFBAS-QFIPXVFZSA-N 2 1 370.493 3.411 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000573262537 506155964 /nfs/dbraw/zinc/15/59/64/506155964.db2.gz JHWIYCGSYLJOBL-RBUKOAKNSA-N 2 1 357.885 3.016 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000573262537 506155967 /nfs/dbraw/zinc/15/59/67/506155967.db2.gz JHWIYCGSYLJOBL-RBUKOAKNSA-N 2 1 357.885 3.016 20 0 FGADMP COCCOc1ccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000377692462 499720590 /nfs/dbraw/zinc/72/05/90/499720590.db2.gz INKIGEJEBRWONX-UHFFFAOYSA-N 2 1 355.482 3.208 20 0 FGADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377709148 499723754 /nfs/dbraw/zinc/72/37/54/499723754.db2.gz UPKOMPXTHSWYAE-UHFFFAOYSA-N 2 1 351.498 3.178 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000377741915 499727233 /nfs/dbraw/zinc/72/72/33/499727233.db2.gz XDNQMJAOJYITLK-UNMCSNQZSA-N 2 1 360.542 3.320 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000414182517 499766672 /nfs/dbraw/zinc/76/66/72/499766672.db2.gz NIWLLCUXYARJLG-AVCGJXAMSA-N 2 1 368.521 3.271 20 0 FGADMP OCCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1ccccn1 ZINC000411663505 499774715 /nfs/dbraw/zinc/77/47/15/499774715.db2.gz PPSMTCQLLMPICX-UHFFFAOYSA-N 2 1 353.510 3.452 20 0 FGADMP OCCC[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)Cc1ccccn1 ZINC000411663505 499774718 /nfs/dbraw/zinc/77/47/18/499774718.db2.gz PPSMTCQLLMPICX-UHFFFAOYSA-N 2 1 353.510 3.452 20 0 FGADMP Cn1ccnc1C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000414721292 499822813 /nfs/dbraw/zinc/82/28/13/499822813.db2.gz GEOKKWIENBUJMH-UFYCRDLUSA-N 2 1 350.510 3.168 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)cc(OC)c1OCc1ccccc1 ZINC000414794653 499831874 /nfs/dbraw/zinc/83/18/74/499831874.db2.gz WBNCNSURLKNVTB-UHFFFAOYSA-N 2 1 356.466 3.124 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc3c(cc2Br)OCO3)cc1 ZINC000414813621 499833836 /nfs/dbraw/zinc/83/38/36/499833836.db2.gz UIEKNSZJUSZNKH-LLVKDONJSA-N 2 1 363.255 3.487 20 0 FGADMP C[C@@H]([NH2+]Cc1cnn(-c2ccc(Br)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414859165 499838594 /nfs/dbraw/zinc/83/85/94/499838594.db2.gz SVNILVUHJYIWHQ-HIFRSBDPSA-N 2 1 363.303 3.113 20 0 FGADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)cc(OC)c1OCc1ccccc1 ZINC000414879476 499840705 /nfs/dbraw/zinc/84/07/05/499840705.db2.gz PLUHYRUJNVFGMA-UHFFFAOYSA-N 2 1 356.466 3.254 20 0 FGADMP Cc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1OC(F)F ZINC000414955634 499848820 /nfs/dbraw/zinc/84/88/20/499848820.db2.gz MISAXJZTUPSSFG-GWCFXTLKSA-N 2 1 363.246 3.447 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999923 499853562 /nfs/dbraw/zinc/85/35/62/499853562.db2.gz KVIWGJBTGSCORA-ZBFHGGJFSA-N 2 1 353.457 3.362 20 0 FGADMP Clc1ccccc1COc1cccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000415044570 499857510 /nfs/dbraw/zinc/85/75/10/499857510.db2.gz SEAXNNIEHZGGHF-LJQANCHMSA-N 2 1 360.885 3.387 20 0 FGADMP Fc1cc(-c2ccncc2)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415050596 499858322 /nfs/dbraw/zinc/85/83/22/499858322.db2.gz ISRBBTAJBQNBSJ-UHFFFAOYSA-N 2 1 368.500 3.194 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)CC3 ZINC000415050563 499858346 /nfs/dbraw/zinc/85/83/46/499858346.db2.gz ILGLZWFAFNHOLG-XBMUEBEBSA-N 2 1 366.553 3.140 20 0 FGADMP Cc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(OC(F)F)cc1C ZINC000415059271 499859264 /nfs/dbraw/zinc/85/92/64/499859264.db2.gz VALVANIQICAVDW-UHFFFAOYSA-N 2 1 367.484 3.211 20 0 FGADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000415134905 499868769 /nfs/dbraw/zinc/86/87/69/499868769.db2.gz WIJCRPSKXRBEQH-DLBZAZTESA-N 2 1 371.294 3.307 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000415912254 499927716 /nfs/dbraw/zinc/92/77/16/499927716.db2.gz LBAWMQWNHNPKFZ-UHFFFAOYSA-N 2 1 355.486 3.016 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415930519 499929641 /nfs/dbraw/zinc/92/96/41/499929641.db2.gz ABVHZNXHHFOCDZ-ROUUACIJSA-N 2 1 374.529 3.142 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)c1 ZINC000415932211 499930030 /nfs/dbraw/zinc/93/00/30/499930030.db2.gz MPDAXMCIVYETOV-IBGZPJMESA-N 2 1 370.497 3.229 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415935990 499930433 /nfs/dbraw/zinc/93/04/33/499930433.db2.gz UTIPISIIULLJFF-OXJNMPFZSA-N 2 1 352.482 3.048 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000415943774 499931395 /nfs/dbraw/zinc/93/13/95/499931395.db2.gz MZABMAJTFAVKPJ-LAUBAEHRSA-N 2 1 366.509 3.438 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415963881 499934392 /nfs/dbraw/zinc/93/43/92/499934392.db2.gz WKDLNUFPCRHYEZ-CVEARBPZSA-N 2 1 370.419 3.255 20 0 FGADMP C[C@@H]1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000415971689 499935661 /nfs/dbraw/zinc/93/56/61/499935661.db2.gz GSBYBLLDRNOZSM-QGZVFWFLSA-N 2 1 352.482 3.274 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000415981365 499937239 /nfs/dbraw/zinc/93/72/39/499937239.db2.gz VLXUUOCSFZQTPF-SJORKVTESA-N 2 1 352.482 3.272 20 0 FGADMP C[C@H](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000415997304 499939059 /nfs/dbraw/zinc/93/90/59/499939059.db2.gz OVPAXYIFSJSKOQ-MRXNPFEDSA-N 2 1 352.482 3.322 20 0 FGADMP C[C@@H](NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000428982965 499973131 /nfs/dbraw/zinc/97/31/31/499973131.db2.gz UJOZNQPLDOIJQJ-DENIHFKCSA-N 2 1 365.521 3.193 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417256443 500020344 /nfs/dbraw/zinc/02/03/44/500020344.db2.gz SDSOELNZQCFGQQ-HLNWXESRSA-N 2 1 360.546 3.132 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286688 500043174 /nfs/dbraw/zinc/04/31/74/500043174.db2.gz KFEBPNRCRBMNIL-WBVHZDCISA-N 2 1 367.331 3.117 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1c2cc(Br)ccc2CC1(C)C)C1CC1 ZINC000429286688 500043176 /nfs/dbraw/zinc/04/31/76/500043176.db2.gz KFEBPNRCRBMNIL-WBVHZDCISA-N 2 1 367.331 3.117 20 0 FGADMP C[NH+](CC[C@H]1CCCO1)Cc1cncc(C[N@@H+](C)CC[C@H]2CCCO2)c1 ZINC000579435871 506173321 /nfs/dbraw/zinc/17/33/21/506173321.db2.gz KWBLWHMEGYEWST-NHCUHLMSSA-N 2 1 361.530 3.083 20 0 FGADMP COc1cc2[nH+]ccc(N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)c2cc1Br ZINC000425264794 500060293 /nfs/dbraw/zinc/06/02/93/500060293.db2.gz XQHMCQRKOCPLGV-TXEJJXNPSA-N 2 1 362.271 3.004 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C[C@H](C)[NH2+]1 ZINC000429413348 500073101 /nfs/dbraw/zinc/07/31/01/500073101.db2.gz UHZQBKIOWNUQTA-ROUUACIJSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000416809633 500125728 /nfs/dbraw/zinc/12/57/28/500125728.db2.gz JIHBSAPCXOKIOH-ZWKOTPCHSA-N 2 1 358.486 3.005 20 0 FGADMP CC(C)(C)CC[NH+]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429725095 500132363 /nfs/dbraw/zinc/13/23/63/500132363.db2.gz ROOGLBYPZNLDKP-JOCHJYFZSA-N 2 1 373.585 3.331 20 0 FGADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)NC(C)(C)CCC[NH3+] ZINC000417687611 500149505 /nfs/dbraw/zinc/14/95/05/500149505.db2.gz RMKVEBKEHBPEBD-IBGZPJMESA-N 2 1 374.573 3.276 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1=O ZINC000421874844 500167335 /nfs/dbraw/zinc/16/73/35/500167335.db2.gz IPGRFTHKCTYBQH-XSDIEEQYSA-N 2 1 355.526 3.030 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000417852266 500184269 /nfs/dbraw/zinc/18/42/69/500184269.db2.gz GZLAOXUEYSPXMA-GJZGRUSLSA-N 2 1 355.486 3.011 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000417868008 500187700 /nfs/dbraw/zinc/18/77/00/500187700.db2.gz CKSLJLYXVAVORG-JOCHJYFZSA-N 2 1 374.573 3.498 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000417874008 500188923 /nfs/dbraw/zinc/18/89/23/500188923.db2.gz JYGCDBDQYTYWTF-FXAWDEMLSA-N 2 1 360.546 3.106 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)cc1I ZINC000417881278 500190858 /nfs/dbraw/zinc/19/08/58/500190858.db2.gz QUNHRZHNIKFVNC-UHFFFAOYSA-N 2 1 373.213 3.115 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000417935571 500200608 /nfs/dbraw/zinc/20/06/08/500200608.db2.gz ZTAXVFXDINNKLP-WSTZPKSXSA-N 2 1 360.546 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418009720 500213436 /nfs/dbraw/zinc/21/34/36/500213436.db2.gz SCTZEHJKSQLGIK-IYVPYFHTSA-N 2 1 370.900 3.038 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418009720 500213438 /nfs/dbraw/zinc/21/34/38/500213438.db2.gz SCTZEHJKSQLGIK-IYVPYFHTSA-N 2 1 370.900 3.038 20 0 FGADMP CC1=C[C@@H](C)C[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430260973 500217633 /nfs/dbraw/zinc/21/76/33/500217633.db2.gz IBCSBPKRLNGMRH-MJGOQNOKSA-N 2 1 355.526 3.054 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418161128 500239686 /nfs/dbraw/zinc/23/96/86/500239686.db2.gz SNEFANTYKOIWJC-RTBURBONSA-N 2 1 360.546 3.104 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000418176938 500243348 /nfs/dbraw/zinc/24/33/48/500243348.db2.gz HLTKOQLGHKFABF-IEBWSBKVSA-N 2 1 366.937 3.103 20 0 FGADMP CCCN(C(=O)NCC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418343896 500265389 /nfs/dbraw/zinc/26/53/89/500265389.db2.gz RKKFDYPMJTXRBP-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418402040 500272397 /nfs/dbraw/zinc/27/23/97/500272397.db2.gz ARDHSHKQEZRIKS-MISYRCLQSA-N 2 1 364.578 3.190 20 0 FGADMP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000430722332 500275450 /nfs/dbraw/zinc/27/54/50/500275450.db2.gz FIVXLTSRCZBDSB-IBGZPJMESA-N 2 1 363.933 3.200 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCc3ccc([C@@H](C)[NH3+])cc3)CC2)c1 ZINC000418444114 500277128 /nfs/dbraw/zinc/27/71/28/500277128.db2.gz ASZKBORYWMGJKK-GOSISDBHSA-N 2 1 366.509 3.042 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418443573 500277270 /nfs/dbraw/zinc/27/72/70/500277270.db2.gz APNQOKMMMHPWTH-ROUUACIJSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000418443573 500277273 /nfs/dbraw/zinc/27/72/73/500277273.db2.gz APNQOKMMMHPWTH-ROUUACIJSA-N 2 1 366.509 3.122 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418441110 500277308 /nfs/dbraw/zinc/27/73/08/500277308.db2.gz HWPDXILPSPXULV-SFHVURJKSA-N 2 1 366.937 3.075 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000418441110 500277311 /nfs/dbraw/zinc/27/73/11/500277311.db2.gz HWPDXILPSPXULV-SFHVURJKSA-N 2 1 366.937 3.075 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000430768975 500282955 /nfs/dbraw/zinc/28/29/55/500282955.db2.gz RBOBPGUYPOQYSF-FCHUYYIVSA-N 2 1 370.562 3.392 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCc1ccccc1 ZINC000430768975 500282957 /nfs/dbraw/zinc/28/29/57/500282957.db2.gz RBOBPGUYPOQYSF-FCHUYYIVSA-N 2 1 370.562 3.392 20 0 FGADMP CCN(C(=O)NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418512975 500286462 /nfs/dbraw/zinc/28/64/62/500286462.db2.gz FOMPYCRHWDAWDO-CZTZKLFOSA-N 2 1 372.557 3.243 20 0 FGADMP C(N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C1([NH+]2CCSCC2)CCCCC1 ZINC000422711622 500288557 /nfs/dbraw/zinc/28/85/57/500288557.db2.gz MZVJFTQXRBFXDD-GUDVDZBRSA-N 2 1 351.604 3.248 20 0 FGADMP Clc1cc(Br)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422723046 500290219 /nfs/dbraw/zinc/29/02/19/500290219.db2.gz ZLJFMPSKICXIML-VNQPRFMTSA-N 2 1 373.722 3.349 20 0 FGADMP COc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1OC1CCCC1 ZINC000422725984 500290751 /nfs/dbraw/zinc/29/07/51/500290751.db2.gz CXFYBWQIRCUMNE-HSALFYBXSA-N 2 1 374.525 3.263 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418601952 500295490 /nfs/dbraw/zinc/29/54/90/500295490.db2.gz ABWIIJSGPRRSLJ-PZJWPPBQSA-N 2 1 372.557 3.058 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418602541 500296040 /nfs/dbraw/zinc/29/60/40/500296040.db2.gz VUOBBTZYDYXNML-HLAWJBBLSA-N 2 1 372.557 3.071 20 0 FGADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422779900 500296621 /nfs/dbraw/zinc/29/66/21/500296621.db2.gz JOTRDXPKMYSCIS-YTFSRNRJSA-N 2 1 371.569 3.309 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)C1 ZINC000418643135 500300149 /nfs/dbraw/zinc/30/01/49/500300149.db2.gz BEQALWAUVALZOU-PKOBYXMFSA-N 2 1 369.513 3.054 20 0 FGADMP CN(C)[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422892871 500311912 /nfs/dbraw/zinc/31/19/12/500311912.db2.gz NZWFDQWLUXIRRP-KCZVDYSFSA-N 2 1 357.542 3.342 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)c2ccccc21 ZINC000422900463 500313936 /nfs/dbraw/zinc/31/39/36/500313936.db2.gz JHDOUUQOJWGLRR-XZJROXQQSA-N 2 1 367.276 3.468 20 0 FGADMP c1cc(OCC[NH+]2CCCC2)ccc1CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422907655 500314895 /nfs/dbraw/zinc/31/48/95/500314895.db2.gz BWRHTOUQACFDGY-BHDDXSALSA-N 2 1 357.542 3.172 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1)CC(C)C ZINC000418734645 500315156 /nfs/dbraw/zinc/31/51/56/500315156.db2.gz VXNHJFNKGCFUCA-UXHICEINSA-N 2 1 366.594 3.294 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])CC2)cs1 ZINC000422916092 500316123 /nfs/dbraw/zinc/31/61/23/500316123.db2.gz ZXVHSWMTJRILSK-WMZOPIPTSA-N 3 1 350.576 3.025 20 0 FGADMP N[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)c2ccccc21 ZINC000422946064 500321677 /nfs/dbraw/zinc/32/16/77/500321677.db2.gz OFJVNIKCMDYTBC-PKTZIBPZSA-N 2 1 364.537 3.323 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001398 500329653 /nfs/dbraw/zinc/32/96/53/500329653.db2.gz WWWHDVWFTUTNMY-KAGYGMCKSA-N 2 1 357.542 3.200 20 0 FGADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001398 500329657 /nfs/dbraw/zinc/32/96/57/500329657.db2.gz WWWHDVWFTUTNMY-KAGYGMCKSA-N 3 1 357.542 3.200 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423001398 500329659 /nfs/dbraw/zinc/32/96/59/500329659.db2.gz WWWHDVWFTUTNMY-KAGYGMCKSA-N 3 1 357.542 3.200 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423012376 500330833 /nfs/dbraw/zinc/33/08/33/500330833.db2.gz KOLFSQHQNSTVRO-ZFWWWQNUSA-N 2 1 353.388 3.027 20 0 FGADMP CCC[N@H+](CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000431073616 500331802 /nfs/dbraw/zinc/33/18/02/500331802.db2.gz ZAJGBXQNYGOBHT-NRFANRHFSA-N 2 1 373.541 3.213 20 0 FGADMP CCC[N@@H+](CC(=O)N1CCC[C@H]1c1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000431073616 500331805 /nfs/dbraw/zinc/33/18/05/500331805.db2.gz ZAJGBXQNYGOBHT-NRFANRHFSA-N 2 1 373.541 3.213 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000423039256 500334244 /nfs/dbraw/zinc/33/42/44/500334244.db2.gz FFRWYGNJTIHVRD-JZXOWHBKSA-N 2 1 356.514 3.440 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000423039258 500334392 /nfs/dbraw/zinc/33/43/92/500334392.db2.gz FFRWYGNJTIHVRD-NUJGCVRESA-N 2 1 356.514 3.440 20 0 FGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1 ZINC000423073497 500338851 /nfs/dbraw/zinc/33/88/51/500338851.db2.gz IUCSMYCLDCEXLT-DZGCQCFKSA-N 2 1 358.935 3.144 20 0 FGADMP CC[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423127569 500345792 /nfs/dbraw/zinc/34/57/92/500345792.db2.gz CCKWTZKFFOLJIJ-FKBYEOEOSA-N 3 1 371.569 3.035 20 0 FGADMP [NH3+][C@H]1C[C@@H]([NH2+]CCCS(=O)(=O)c2ccc(Cl)cc2)c2ccccc21 ZINC000423144556 500347966 /nfs/dbraw/zinc/34/79/66/500347966.db2.gz HMLODBXBVJOBGP-ZWKOTPCHSA-N 2 1 364.898 3.238 20 0 FGADMP CC[C@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1C)[C@@H]1CCC[NH2+]1 ZINC000423153506 500349132 /nfs/dbraw/zinc/34/91/32/500349132.db2.gz HLZZKODSCNXOEP-JLSDUUJJSA-N 2 1 369.347 3.029 20 0 FGADMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423169072 500350790 /nfs/dbraw/zinc/35/07/90/500350790.db2.gz YZJBBJIFMWMBEQ-IIDMSEBBSA-N 2 1 369.347 3.029 20 0 FGADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423188079 500353345 /nfs/dbraw/zinc/35/33/45/500353345.db2.gz QDQLTOZFKFUEMG-DJIMGWMZSA-N 2 1 353.304 3.004 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423383813 500369189 /nfs/dbraw/zinc/36/91/89/500369189.db2.gz PQARVHDEIMIWQX-FQEVSTJZSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H](Nc1nc2ccc(F)cc2n1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000431416051 500374364 /nfs/dbraw/zinc/37/43/64/500374364.db2.gz ULSIDNPFRVYXNK-RDJZCZTQSA-N 2 1 352.457 3.457 20 0 FGADMP CC1(C)C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000423493258 500378791 /nfs/dbraw/zinc/37/87/91/500378791.db2.gz PTYYDRXQPBQFDB-CJNGLKHVSA-N 2 1 353.304 3.140 20 0 FGADMP Fc1ccc(-c2nc3c(s2)[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)CCC3)cc1 ZINC000423522769 500381520 /nfs/dbraw/zinc/38/15/20/500381520.db2.gz RQKFQXFCQKUSNQ-HOTGVXAUSA-N 2 1 361.486 3.295 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H](N[C@@H]4C[NH2+]C[C@H]4c4ccccc4)[C@H]3C2)cc1 ZINC000423525585 500382246 /nfs/dbraw/zinc/38/22/46/500382246.db2.gz KLWUUYBXMPDMDZ-ZROJVYTPSA-N 2 1 361.533 3.242 20 0 FGADMP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000423621195 500390229 /nfs/dbraw/zinc/39/02/29/500390229.db2.gz XLEGTLHFAURPES-SJLPKXTDSA-N 2 1 358.530 3.081 20 0 FGADMP C[C@@H]1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)[C@H](C[NH3+])C1 ZINC000423668219 500392890 /nfs/dbraw/zinc/39/28/90/500392890.db2.gz POEURMUHTLAZCH-NJAFHUGGSA-N 2 1 358.530 3.079 20 0 FGADMP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H](C)[NH3+] ZINC000423790879 500401968 /nfs/dbraw/zinc/40/19/68/500401968.db2.gz ANIIBBTYFSMSEY-XHDPSFHLSA-N 2 1 356.308 3.069 20 0 FGADMP CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H](C)[NH3+] ZINC000423790876 500402020 /nfs/dbraw/zinc/40/20/20/500402020.db2.gz ANIIBBTYFSMSEY-NHYWBVRUSA-N 2 1 356.308 3.069 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805301 500403158 /nfs/dbraw/zinc/40/31/58/500403158.db2.gz CVRPGOIQKFXAJO-CVEARBPZSA-N 2 1 355.885 3.104 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423805301 500403161 /nfs/dbraw/zinc/40/31/61/500403161.db2.gz CVRPGOIQKFXAJO-CVEARBPZSA-N 2 1 355.885 3.104 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423828645 500407275 /nfs/dbraw/zinc/40/72/75/500407275.db2.gz OIXZVQVPMAUFCV-BJLQDIEVSA-N 2 1 357.885 3.292 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000423828645 500407280 /nfs/dbraw/zinc/40/72/80/500407280.db2.gz OIXZVQVPMAUFCV-BJLQDIEVSA-N 2 1 357.885 3.292 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423862236 500413711 /nfs/dbraw/zinc/41/37/11/500413711.db2.gz FUDPBXUTJJCGJZ-MJUUVYJYSA-N 2 1 357.542 3.311 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000431728670 500416038 /nfs/dbraw/zinc/41/60/38/500416038.db2.gz OMWFKBXFTMHYPH-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423917984 500419067 /nfs/dbraw/zinc/41/90/67/500419067.db2.gz ZRORKTWXNMFHGS-WLRLJWMZSA-N 2 1 357.542 3.119 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431757352 500420580 /nfs/dbraw/zinc/42/05/80/500420580.db2.gz CBYOQCAPRPMXDG-OAQYLSRUSA-N 2 1 357.542 3.340 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c1 ZINC000423944831 500422602 /nfs/dbraw/zinc/42/26/02/500422602.db2.gz ABUXKKRDAMIYBW-FQEVSTJZSA-N 2 1 353.510 3.422 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000420302546 500437429 /nfs/dbraw/zinc/43/74/29/500437429.db2.gz MOMSUPLVGUHOHZ-IEBWSBKVSA-N 2 1 354.450 3.303 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)cc1 ZINC000420303062 500437530 /nfs/dbraw/zinc/43/75/30/500437530.db2.gz NAJMPDCQGOHLHQ-SIKLNZKXSA-N 2 1 354.494 3.109 20 0 FGADMP Fc1cc(Br)cc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420316848 500440074 /nfs/dbraw/zinc/44/00/74/500440074.db2.gz YQFJVBHRNZZBTI-UHFFFAOYSA-N 2 1 357.267 3.043 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(SCC)c2)[C@H](C)C1 ZINC000427883436 500442222 /nfs/dbraw/zinc/44/22/22/500442222.db2.gz CHXGZUZOQAFSGN-AEFFLSMTSA-N 2 1 351.560 3.420 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(SCC)c2)[C@H](C)C1 ZINC000427883436 500442225 /nfs/dbraw/zinc/44/22/25/500442225.db2.gz CHXGZUZOQAFSGN-AEFFLSMTSA-N 2 1 351.560 3.420 20 0 FGADMP Cn1c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000420330838 500442376 /nfs/dbraw/zinc/44/23/76/500442376.db2.gz CLEXEFWXIVEHKQ-QGZVFWFLSA-N 2 1 359.905 3.100 20 0 FGADMP O=C([C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCCCC1 ZINC000420330553 500442523 /nfs/dbraw/zinc/44/25/23/500442523.db2.gz AUQXNJFNIZRBCA-NJYVYQBISA-N 2 1 355.526 3.062 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330206 500442552 /nfs/dbraw/zinc/44/25/52/500442552.db2.gz AKGBLKJTCXKPLK-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420330206 500442554 /nfs/dbraw/zinc/44/25/54/500442554.db2.gz AKGBLKJTCXKPLK-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Cc1ccccc1 ZINC000420327536 500442740 /nfs/dbraw/zinc/44/27/40/500442740.db2.gz DDDNFJGAKKKMTK-OYRHEFFESA-N 2 1 363.505 3.147 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420331424 500443035 /nfs/dbraw/zinc/44/30/35/500443035.db2.gz BXORDXZSRLBSFW-PZBISTMVSA-N 2 1 357.542 3.136 20 0 FGADMP COCc1cccc(OCC2(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)CCC2)c1 ZINC000420340426 500444880 /nfs/dbraw/zinc/44/48/80/500444880.db2.gz PDKMORHVUOUWIA-BGYRXZFFSA-N 2 1 358.526 3.314 20 0 FGADMP Cc1ccc(-c2nc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cs2)o1 ZINC000420379807 500451888 /nfs/dbraw/zinc/45/18/88/500451888.db2.gz NPQZDJKHZDKARN-SJLPKXTDSA-N 2 1 361.511 3.430 20 0 FGADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ncc(-c3cccc(F)c3)o2)CC1 ZINC000420390928 500454287 /nfs/dbraw/zinc/45/42/87/500454287.db2.gz ZZKHHKBGAXLHEY-XLIONFOSSA-N 2 1 359.445 3.199 20 0 FGADMP CC(C)CCc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000420393741 500454454 /nfs/dbraw/zinc/45/44/54/500454454.db2.gz QWYHLBKVTIOSLM-WMZOPIPTSA-N 2 1 351.560 3.450 20 0 FGADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424147947 500460082 /nfs/dbraw/zinc/46/00/82/500460082.db2.gz ZBIOUULSUYWQGL-HXUWFJFHSA-N 2 1 369.509 3.401 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@@H]3C[C@H](OC)C[C@@H]3C2)CC1 ZINC000424274248 500480044 /nfs/dbraw/zinc/48/00/44/500480044.db2.gz YMVISCSHLIRNHT-YSVGVQOKSA-N 2 1 371.569 3.117 20 0 FGADMP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284225 500480924 /nfs/dbraw/zinc/48/09/24/500480924.db2.gz DCWQSOAKKUMYRV-OALUTQOASA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)N1CC[C@@H](C)Sc3ccccc31)CC[NH2+]CC2 ZINC000424298985 500483388 /nfs/dbraw/zinc/48/33/88/500483388.db2.gz VENKZJICLSBITB-DLBZAZTESA-N 2 1 373.566 3.368 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000424320885 500486244 /nfs/dbraw/zinc/48/62/44/500486244.db2.gz TVTNCISQTXIVHY-RTBURBONSA-N 2 1 359.539 3.253 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2ccncc2)c2cccs2)CC1(C)C ZINC000424357151 500491109 /nfs/dbraw/zinc/49/11/09/500491109.db2.gz WCMDHOMNDNBIQK-SFHVURJKSA-N 2 1 358.555 3.043 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[NH+]3C)cc2)C1 ZINC000420782091 500500011 /nfs/dbraw/zinc/50/00/11/500500011.db2.gz QHTWQNCPNPUCSR-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)C1 ZINC000420782091 500500016 /nfs/dbraw/zinc/50/00/16/500500016.db2.gz QHTWQNCPNPUCSR-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N(C)C[C@H]3CCC[N@H+]3C)cc2)C1 ZINC000420782091 500500020 /nfs/dbraw/zinc/50/00/20/500500020.db2.gz QHTWQNCPNPUCSR-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)c1 ZINC000424443265 500506760 /nfs/dbraw/zinc/50/67/60/500506760.db2.gz JYWGPSBSSAZFEO-APWZRJJASA-N 2 1 352.482 3.411 20 0 FGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432426247 500515113 /nfs/dbraw/zinc/51/51/13/500515113.db2.gz PTPPQWLYXKJOBI-PKOBYXMFSA-N 2 1 364.530 3.115 20 0 FGADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432426247 500515116 /nfs/dbraw/zinc/51/51/16/500515116.db2.gz PTPPQWLYXKJOBI-PKOBYXMFSA-N 2 1 364.530 3.115 20 0 FGADMP Cc1cc(CNC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000420857573 500516973 /nfs/dbraw/zinc/51/69/73/500516973.db2.gz ZVBGERBPRASCBQ-XLIONFOSSA-N 2 1 352.482 3.161 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000428548687 500525481 /nfs/dbraw/zinc/52/54/81/500525481.db2.gz RDBNTFSFYJHXKN-NRFANRHFSA-N 2 1 351.494 3.272 20 0 FGADMP CC[C@H](O)C[N@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929903 500533543 /nfs/dbraw/zinc/53/35/43/500533543.db2.gz DKYXQNYUTBGPBN-QHCPKHFHSA-N 2 1 368.521 3.292 20 0 FGADMP CC[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420929903 500533545 /nfs/dbraw/zinc/53/35/45/500533545.db2.gz DKYXQNYUTBGPBN-QHCPKHFHSA-N 2 1 368.521 3.292 20 0 FGADMP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964574 500542695 /nfs/dbraw/zinc/54/26/95/500542695.db2.gz NTTDSDVCOLOKQW-YTFSRNRJSA-N 2 1 372.553 3.424 20 0 FGADMP O[C@@H]1CCCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420964574 500542696 /nfs/dbraw/zinc/54/26/96/500542696.db2.gz NTTDSDVCOLOKQW-YTFSRNRJSA-N 2 1 372.553 3.424 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695587 500545241 /nfs/dbraw/zinc/54/52/41/500545241.db2.gz WSNMKIJTZIXTRT-AZUAARDMSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695587 500545243 /nfs/dbraw/zinc/54/52/43/500545243.db2.gz WSNMKIJTZIXTRT-AZUAARDMSA-N 2 1 360.546 3.069 20 0 FGADMP CC[NH+](CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C(C)C ZINC000428695587 500545245 /nfs/dbraw/zinc/54/52/45/500545245.db2.gz WSNMKIJTZIXTRT-AZUAARDMSA-N 2 1 360.546 3.069 20 0 FGADMP CCCOc1cccc(C[N@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)c1 ZINC000420978585 500546605 /nfs/dbraw/zinc/54/66/05/500546605.db2.gz JDFJBDSFXJOPRC-UHFFFAOYSA-N 2 1 359.558 3.467 20 0 FGADMP CC[N@H+]1CCCN(C(=O)NCc2ccc(C[NH+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000428702444 500546683 /nfs/dbraw/zinc/54/66/83/500546683.db2.gz VNQMWCGTGGWMIY-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000428702444 500546687 /nfs/dbraw/zinc/54/66/87/500546687.db2.gz VNQMWCGTGGWMIY-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP CC[NH+]1CCCN(C(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000428702444 500546689 /nfs/dbraw/zinc/54/66/89/500546689.db2.gz VNQMWCGTGGWMIY-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCCOc3ccccc3)CC2)CC1 ZINC000420982028 500547116 /nfs/dbraw/zinc/54/71/16/500547116.db2.gz OFDVVCOOYBPKAL-UHFFFAOYSA-N 2 1 359.558 3.338 20 0 FGADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c2ccccc21 ZINC000447528251 500618140 /nfs/dbraw/zinc/61/81/40/500618140.db2.gz IGTYNURTHLBQNE-LEWJYISDSA-N 2 1 357.542 3.403 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1=O ZINC000433082227 500623099 /nfs/dbraw/zinc/62/30/99/500623099.db2.gz JJZACOXGKIRLAF-MZADTFQBSA-N 2 1 351.494 3.153 20 0 FGADMP CCn1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1=O ZINC000433082227 500623101 /nfs/dbraw/zinc/62/31/01/500623101.db2.gz JJZACOXGKIRLAF-MZADTFQBSA-N 2 1 351.494 3.153 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC(F)(F)F)cc1 ZINC000442875296 500638102 /nfs/dbraw/zinc/63/81/02/500638102.db2.gz NVHQEPFGSXMZNY-CQSZACIVSA-N 2 1 359.436 3.262 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@@H](CC[NH3+])C3)c2)cs1 ZINC000443058327 500670941 /nfs/dbraw/zinc/67/09/41/500670941.db2.gz KAYRGSRAOCFNRI-HNNXBMFYSA-N 2 1 358.511 3.118 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000443061678 500671290 /nfs/dbraw/zinc/67/12/90/500671290.db2.gz SDKHHXHOHCYTBD-IERDGZPVSA-N 2 1 361.505 3.234 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000443061686 500671582 /nfs/dbraw/zinc/67/15/82/500671582.db2.gz SDMOCULJDAQGGC-QGZVFWFLSA-N 2 1 353.466 3.478 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000437696202 500682253 /nfs/dbraw/zinc/68/22/53/500682253.db2.gz KJGYUERYWPUVIM-FQEVSTJZSA-N 2 1 371.529 3.306 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)[NH+](C)C)cc1 ZINC000448215799 500734059 /nfs/dbraw/zinc/73/40/59/500734059.db2.gz ZTRHTDICBWLALF-FPOVZHCZSA-N 2 1 374.573 3.265 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000443628976 500747057 /nfs/dbraw/zinc/74/70/57/500747057.db2.gz GQJZPORTNLXWQM-QGZVFWFLSA-N 2 1 358.448 3.413 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@H+]4C[C@H](O)C(C)(C)C4)cc3)nc12 ZINC000448367346 500753937 /nfs/dbraw/zinc/75/39/37/500753937.db2.gz QNXMCGLRWHZXHS-FQEVSTJZSA-N 2 1 365.477 3.424 20 0 FGADMP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433940271 500768188 /nfs/dbraw/zinc/76/81/88/500768188.db2.gz KQCJJHVFCYFDLG-NHCUHLMSSA-N 2 1 370.541 3.140 20 0 FGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCCO[C@@H]3c3nccn3C)CC2)C1 ZINC000433952223 500770394 /nfs/dbraw/zinc/77/03/94/500770394.db2.gz WKDCSDTVZBADIT-RNQOJCNYSA-N 2 1 360.546 3.273 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000438332460 500771784 /nfs/dbraw/zinc/77/17/84/500771784.db2.gz QXEMUHPEZPORAI-FQEVSTJZSA-N 2 1 362.562 3.053 20 0 FGADMP CC(C)[C@H]1CC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000438482299 500790899 /nfs/dbraw/zinc/79/08/99/500790899.db2.gz KSTXEWDGBMMXJK-QUCCMNQESA-N 2 1 357.542 3.134 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCc1sccc1C ZINC000438912201 500834570 /nfs/dbraw/zinc/83/45/70/500834570.db2.gz NYNBHASONLZVLP-GOSISDBHSA-N 2 1 365.587 3.254 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)c1ccccc1 ZINC000439253818 500874832 /nfs/dbraw/zinc/87/48/32/500874832.db2.gz BREWKAUWIWRUQI-QHAWAJNXSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H]1[NH2+]CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@@H]1C ZINC000434673558 500877384 /nfs/dbraw/zinc/87/73/84/500877384.db2.gz QWJZBDKEDQMESD-QZTJIDSGSA-N 2 1 351.494 3.141 20 0 FGADMP COc1ccc(C2([NH2+]CCCCn3cc[nH+]c3C)CCOCC2)cc1F ZINC000444812652 500906137 /nfs/dbraw/zinc/90/61/37/500906137.db2.gz LGTCSPIRKFXHLP-UHFFFAOYSA-N 2 1 361.461 3.415 20 0 FGADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000434907444 500911083 /nfs/dbraw/zinc/91/10/83/500911083.db2.gz RRJAHLNXABIUMW-HSZRJFAPSA-N 2 1 369.553 3.074 20 0 FGADMP COc1nccc(C[NH2+]Cc2ccccc2C[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000449081636 500920416 /nfs/dbraw/zinc/92/04/16/500920416.db2.gz GUVAVNJANKSTOI-IAGOWNOFSA-N 2 1 354.498 3.253 20 0 FGADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000449084828 500920871 /nfs/dbraw/zinc/92/08/71/500920871.db2.gz ZBCPPLCGVDBKON-IRXDYDNUSA-N 2 1 355.530 3.374 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(I)cc2)C1 ZINC000449091487 500923050 /nfs/dbraw/zinc/92/30/50/500923050.db2.gz JTHVRWHGOHMOAK-AWEZNQCLSA-N 2 1 358.267 3.113 20 0 FGADMP Cc1ccccc1-c1ccccc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134562 500932796 /nfs/dbraw/zinc/93/27/96/500932796.db2.gz KCOXBQUFIVIKRB-HXUWFJFHSA-N 2 1 365.521 3.339 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@@H]([C@@H](C)[NH3+])C4)cc3)nc12 ZINC000435373375 500961630 /nfs/dbraw/zinc/96/16/30/500961630.db2.gz MXQZLOGTJLXSRK-IEBWSBKVSA-N 2 1 364.493 3.391 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375250 500962186 /nfs/dbraw/zinc/96/21/86/500962186.db2.gz ULLIHKCOSMWKEF-APWZRJJASA-N 2 1 370.493 3.452 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000435375250 500962189 /nfs/dbraw/zinc/96/21/89/500962189.db2.gz ULLIHKCOSMWKEF-APWZRJJASA-N 2 1 370.493 3.452 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000435377081 500962774 /nfs/dbraw/zinc/96/27/74/500962774.db2.gz XYDHWHBMBBAQBD-GOSISDBHSA-N 2 1 355.482 3.101 20 0 FGADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OCc3cccnc3)c2)C1 ZINC000435377081 500962779 /nfs/dbraw/zinc/96/27/79/500962779.db2.gz XYDHWHBMBBAQBD-GOSISDBHSA-N 2 1 355.482 3.101 20 0 FGADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cn(Cc4ccccc4)nc3-c3cccnc3)C[C@H]12 ZINC000435386611 500965389 /nfs/dbraw/zinc/96/53/89/500965389.db2.gz XPHKXPOJYSIEJY-BAGYTPMASA-N 2 1 373.504 3.163 20 0 FGADMP COC(=O)c1coc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435429514 500974020 /nfs/dbraw/zinc/97/40/20/500974020.db2.gz XIDZNUPJXXXGHV-QGZVFWFLSA-N 2 1 360.479 3.272 20 0 FGADMP COC(=O)c1coc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000435429514 500974022 /nfs/dbraw/zinc/97/40/22/500974022.db2.gz XIDZNUPJXXXGHV-QGZVFWFLSA-N 2 1 360.479 3.272 20 0 FGADMP O=C(NCc1ccccc1C[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440155786 500982251 /nfs/dbraw/zinc/98/22/51/500982251.db2.gz BLRIYTVCZOTABV-OAQYLSRUSA-N 2 1 355.526 3.306 20 0 FGADMP CC[N@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435611773 501001733 /nfs/dbraw/zinc/00/17/33/501001733.db2.gz CVHCRTWFGLRORT-RXVVDRJESA-N 2 1 371.550 3.418 20 0 FGADMP CC[N@@H+](CC(=O)N[C@H](c1cccs1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435611773 501001736 /nfs/dbraw/zinc/00/17/36/501001736.db2.gz CVHCRTWFGLRORT-RXVVDRJESA-N 2 1 371.550 3.418 20 0 FGADMP Cn1c(CC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000435615334 501002655 /nfs/dbraw/zinc/00/26/55/501002655.db2.gz HJBCEKKRGKYANZ-LJQANCHMSA-N 2 1 363.509 3.155 20 0 FGADMP Cn1c(CC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)nc2ccccc21 ZINC000435615334 501002657 /nfs/dbraw/zinc/00/26/57/501002657.db2.gz HJBCEKKRGKYANZ-LJQANCHMSA-N 2 1 363.509 3.155 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435626535 501004326 /nfs/dbraw/zinc/00/43/26/501004326.db2.gz OTFZIJIOXUVEPQ-WMZOPIPTSA-N 2 1 357.498 3.416 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)[C@H]1CCC[NH2+]CC1 ZINC000435626535 501004329 /nfs/dbraw/zinc/00/43/29/501004329.db2.gz OTFZIJIOXUVEPQ-WMZOPIPTSA-N 2 1 357.498 3.416 20 0 FGADMP c1ccc(OCCOCC[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435630677 501005263 /nfs/dbraw/zinc/00/52/63/501005263.db2.gz YJRXQYMTACCLGN-OAQYLSRUSA-N 2 1 369.509 3.121 20 0 FGADMP c1ccc(OCCOCC[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435630677 501005266 /nfs/dbraw/zinc/00/52/66/501005266.db2.gz YJRXQYMTACCLGN-OAQYLSRUSA-N 2 1 369.509 3.121 20 0 FGADMP CC(C)[N@@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449451077 501005768 /nfs/dbraw/zinc/00/57/68/501005768.db2.gz HRBSSYOGZDJQGN-KBAYOESNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[N@H+]1CCc2nc(C[NH+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449451077 501005770 /nfs/dbraw/zinc/00/57/70/501005770.db2.gz HRBSSYOGZDJQGN-KBAYOESNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449451077 501005772 /nfs/dbraw/zinc/00/57/72/501005772.db2.gz HRBSSYOGZDJQGN-KBAYOESNSA-N 2 1 363.571 3.425 20 0 FGADMP CC(C)[NH+]1CCc2nc(C[N@H+]3CCCC[C@@H]3[C@H]3CCC[C@H]3O)sc2C1 ZINC000449451077 501005775 /nfs/dbraw/zinc/00/57/75/501005775.db2.gz HRBSSYOGZDJQGN-KBAYOESNSA-N 2 1 363.571 3.425 20 0 FGADMP O=C(CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435686424 501011940 /nfs/dbraw/zinc/01/19/40/501011940.db2.gz UTZQTXITINMMCS-KRWDZBQOSA-N 2 1 370.522 3.116 20 0 FGADMP O=C(CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)Nc1ccccc1 ZINC000435686424 501011942 /nfs/dbraw/zinc/01/19/42/501011942.db2.gz UTZQTXITINMMCS-KRWDZBQOSA-N 2 1 370.522 3.116 20 0 FGADMP COc1c(C)c[nH+]c(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)c1C ZINC000435732118 501019911 /nfs/dbraw/zinc/01/99/11/501019911.db2.gz NFUASYXOODAEOZ-MRXNPFEDSA-N 2 1 360.527 3.084 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505781 501020574 /nfs/dbraw/zinc/02/05/74/501020574.db2.gz RULUJRXUYSGJIJ-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505781 501020577 /nfs/dbraw/zinc/02/05/77/501020577.db2.gz RULUJRXUYSGJIJ-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505781 501020578 /nfs/dbraw/zinc/02/05/78/501020578.db2.gz RULUJRXUYSGJIJ-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000449505781 501020580 /nfs/dbraw/zinc/02/05/80/501020580.db2.gz RULUJRXUYSGJIJ-JOCHJYFZSA-N 2 1 371.569 3.378 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445846265 501040554 /nfs/dbraw/zinc/04/05/54/501040554.db2.gz GHBVIGFSOUMDTL-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP CCCc1ncc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)o1 ZINC000449614243 501043675 /nfs/dbraw/zinc/04/36/75/501043675.db2.gz VBVDHUYZJMEOBL-UHFFFAOYSA-N 2 1 356.514 3.447 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440819574 501052211 /nfs/dbraw/zinc/05/22/11/501052211.db2.gz MNOAZVFPQXYIKI-LPOKXYRGSA-N 2 1 366.594 3.163 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445974211 501056821 /nfs/dbraw/zinc/05/68/21/501056821.db2.gz KFDYKBKFKFLZID-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1)C1CC[NH+](C)CC1 ZINC000449687544 501063012 /nfs/dbraw/zinc/06/30/12/501063012.db2.gz PUYGFOVYMAPJAP-JOCHJYFZSA-N 2 1 357.542 3.220 20 0 FGADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CCCc1cccc2ccccc21 ZINC000436055141 501063576 /nfs/dbraw/zinc/06/35/76/501063576.db2.gz QYFWOQRSZSCXDB-FQEVSTJZSA-N 2 1 353.510 3.092 20 0 FGADMP CN(c1ccccc1C[NH2+]Cc1cnc(C2CC2)o1)C1CC[NH+](C)CC1 ZINC000449695266 501064264 /nfs/dbraw/zinc/06/42/64/501064264.db2.gz DWWUPBSOSOFLLQ-UHFFFAOYSA-N 2 1 354.498 3.372 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)CC3CCCCCC3)cn2)CC1 ZINC000436389319 501119247 /nfs/dbraw/zinc/11/92/47/501119247.db2.gz UMUUDHAWDUBJLX-UHFFFAOYSA-N 2 1 359.562 3.457 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000450450601 501124403 /nfs/dbraw/zinc/12/44/03/501124403.db2.gz FGNCLZYANIRFTO-MRXNPFEDSA-N 2 1 368.905 3.059 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582373 501137520 /nfs/dbraw/zinc/13/75/20/501137520.db2.gz XHFZWPROKMTOJX-GOSISDBHSA-N 2 1 368.525 3.433 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000446619624 501142874 /nfs/dbraw/zinc/14/28/74/501142874.db2.gz HTZJZRNWCIXOIK-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000446750351 501160784 /nfs/dbraw/zinc/16/07/84/501160784.db2.gz GINSWFNGDNSHLI-WIYYLYMNSA-N 2 1 371.529 3.272 20 0 FGADMP COC[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCC1 ZINC000446758968 501162667 /nfs/dbraw/zinc/16/26/67/501162667.db2.gz MLNNSAWZKIRNAX-FGZHOGPDSA-N 2 1 359.558 3.160 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000592774509 506238150 /nfs/dbraw/zinc/23/81/50/506238150.db2.gz UYPMPVDUALIRMI-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000592774509 506238156 /nfs/dbraw/zinc/23/81/56/506238156.db2.gz UYPMPVDUALIRMI-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000592774509 506238165 /nfs/dbraw/zinc/23/81/65/506238165.db2.gz UYPMPVDUALIRMI-WOJBJXKFSA-N 2 1 355.526 3.032 20 0 FGADMP COc1ccc([C@@H](CCn2cncn2)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000446840433 501172023 /nfs/dbraw/zinc/17/20/23/501172023.db2.gz YYRHHMWQJJAKCS-GHTZIAJQSA-N 2 1 371.529 3.128 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830549 501215467 /nfs/dbraw/zinc/21/54/67/501215467.db2.gz OHBXIXJFFKDQOI-RXVVDRJESA-N 2 1 370.541 3.332 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1C1CCCC1)N1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000450830549 501215470 /nfs/dbraw/zinc/21/54/70/501215470.db2.gz OHBXIXJFFKDQOI-RXVVDRJESA-N 2 1 370.541 3.332 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871729 501221451 /nfs/dbraw/zinc/22/14/51/501221451.db2.gz HOMTYPFKDIVIRE-YADHBBJMSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871729 501221453 /nfs/dbraw/zinc/22/14/53/501221453.db2.gz HOMTYPFKDIVIRE-YADHBBJMSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000450871729 501221454 /nfs/dbraw/zinc/22/14/54/501221454.db2.gz HOMTYPFKDIVIRE-YADHBBJMSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000450871729 501221455 /nfs/dbraw/zinc/22/14/55/501221455.db2.gz HOMTYPFKDIVIRE-YADHBBJMSA-N 2 1 353.510 3.093 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018482 501239495 /nfs/dbraw/zinc/23/94/95/501239495.db2.gz MQQKWBHJLBFWBK-RTBURBONSA-N 2 1 358.530 3.009 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018482 501239496 /nfs/dbraw/zinc/23/94/96/501239496.db2.gz MQQKWBHJLBFWBK-RTBURBONSA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018482 501239497 /nfs/dbraw/zinc/23/94/97/501239497.db2.gz MQQKWBHJLBFWBK-RTBURBONSA-N 2 1 358.530 3.009 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000451018482 501239498 /nfs/dbraw/zinc/23/94/98/501239498.db2.gz MQQKWBHJLBFWBK-RTBURBONSA-N 2 1 358.530 3.009 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453087038 501265880 /nfs/dbraw/zinc/26/58/80/501265880.db2.gz VHNXDPRYCARPBN-MJUUVYJYSA-N 2 1 357.542 3.324 20 0 FGADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453084853 501265915 /nfs/dbraw/zinc/26/59/15/501265915.db2.gz GIOOKNYPCHUTJR-VSKRKVRLSA-N 2 1 352.526 3.386 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453106889 501270434 /nfs/dbraw/zinc/27/04/34/501270434.db2.gz JLTVRADDIDMKSX-GOSISDBHSA-N 2 1 369.557 3.011 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453134707 501276261 /nfs/dbraw/zinc/27/62/61/501276261.db2.gz SMNGFVOBROFRTO-YUMYIRISSA-N 2 1 358.526 3.215 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453134705 501276625 /nfs/dbraw/zinc/27/66/25/501276625.db2.gz SMNGFVOBROFRTO-MLNNCEHLSA-N 2 1 358.526 3.215 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000455343138 501276920 /nfs/dbraw/zinc/27/69/20/501276920.db2.gz YSZKPFLNRHXUPO-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000455343138 501276925 /nfs/dbraw/zinc/27/69/25/501276925.db2.gz YSZKPFLNRHXUPO-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCC[C@@H](CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000455343138 501276927 /nfs/dbraw/zinc/27/69/27/501276927.db2.gz YSZKPFLNRHXUPO-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CN(C)c1nccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453167455 501283127 /nfs/dbraw/zinc/28/31/27/501283127.db2.gz RPUXVDFAFJUAEI-NJDAHSKKSA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453167455 501283128 /nfs/dbraw/zinc/28/31/28/501283128.db2.gz RPUXVDFAFJUAEI-NJDAHSKKSA-N 2 1 365.525 3.075 20 0 FGADMP CN(C)c1nccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)n1 ZINC000453167455 501283131 /nfs/dbraw/zinc/28/31/31/501283131.db2.gz RPUXVDFAFJUAEI-NJDAHSKKSA-N 2 1 365.525 3.075 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CC2 ZINC000453205238 501290777 /nfs/dbraw/zinc/29/07/77/501290777.db2.gz SXQSUXBBFMRAKG-MXEMCNAFSA-N 2 1 350.510 3.231 20 0 FGADMP COC[C@](C)(O)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453250329 501299299 /nfs/dbraw/zinc/29/92/99/501299299.db2.gz HCZURQDIIOKPCM-GXRSIYKFSA-N 2 1 360.542 3.054 20 0 FGADMP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530685 501314163 /nfs/dbraw/zinc/31/41/63/501314163.db2.gz IMMYWCSLOXIOED-UNMCSNQZSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451530685 501314166 /nfs/dbraw/zinc/31/41/66/501314166.db2.gz IMMYWCSLOXIOED-UNMCSNQZSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530685 501314170 /nfs/dbraw/zinc/31/41/70/501314170.db2.gz IMMYWCSLOXIOED-UNMCSNQZSA-N 2 1 357.542 3.404 20 0 FGADMP CC[C@@H](c1ccccc1)[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451530685 501314176 /nfs/dbraw/zinc/31/41/76/501314176.db2.gz IMMYWCSLOXIOED-UNMCSNQZSA-N 2 1 357.542 3.404 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453318811 501314194 /nfs/dbraw/zinc/31/41/94/501314194.db2.gz LMZZSLMJSYRUQU-PVIWCNJMSA-N 2 1 358.526 3.071 20 0 FGADMP CC[C@@H]1CN(C(=O)N[C@@H](C)c2nccn2CC)CCN1Cc1ccccc1 ZINC000455479877 501314346 /nfs/dbraw/zinc/31/43/46/501314346.db2.gz VQDUNTJQEAENKA-PKOBYXMFSA-N 2 1 369.513 3.270 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535367 501316245 /nfs/dbraw/zinc/31/62/45/501316245.db2.gz ZRPHZWLPXRSCAO-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535367 501316246 /nfs/dbraw/zinc/31/62/46/501316246.db2.gz ZRPHZWLPXRSCAO-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535367 501316247 /nfs/dbraw/zinc/31/62/47/501316247.db2.gz ZRPHZWLPXRSCAO-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535367 501316248 /nfs/dbraw/zinc/31/62/48/501316248.db2.gz ZRPHZWLPXRSCAO-RBUKOAKNSA-N 2 1 371.516 3.078 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000451574684 501328466 /nfs/dbraw/zinc/32/84/66/501328466.db2.gz RUXGPSBUOFHTJR-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000451574684 501328470 /nfs/dbraw/zinc/32/84/70/501328470.db2.gz RUXGPSBUOFHTJR-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2ccc(C[N@H+]3CC[C@H](OC)[C@@H](C)C3)cc2)C[C@H]1C ZINC000451574684 501328472 /nfs/dbraw/zinc/32/84/72/501328472.db2.gz RUXGPSBUOFHTJR-VVIORFSUSA-N 2 1 360.542 3.400 20 0 FGADMP CC(C)[C@H](CO)[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000451599374 501334296 /nfs/dbraw/zinc/33/42/96/501334296.db2.gz QHYRZGWXYVDHRV-FKBYEOEOSA-N 2 1 362.558 3.156 20 0 FGADMP CC(C)[C@H](CO)[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)C(C)C ZINC000451599374 501334299 /nfs/dbraw/zinc/33/42/99/501334299.db2.gz QHYRZGWXYVDHRV-FKBYEOEOSA-N 2 1 362.558 3.156 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000453448752 501334560 /nfs/dbraw/zinc/33/45/60/501334560.db2.gz QCVICRLKVVLWTD-NNMXDRDESA-N 2 1 371.569 3.367 20 0 FGADMP Cc1cc(Br)c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000453596612 501357399 /nfs/dbraw/zinc/35/73/99/501357399.db2.gz XFNXXOGNBYVVDE-ZDUSSCGKSA-N 2 1 361.349 3.146 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H](C)C1 ZINC000455944822 501422687 /nfs/dbraw/zinc/42/26/87/501422687.db2.gz WBFLLKVGDKSTDK-UIAACRFSSA-N 2 1 358.530 3.430 20 0 FGADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455950534 501424171 /nfs/dbraw/zinc/42/41/71/501424171.db2.gz ZSDAHPKWYCSJMH-QWFCFKBJSA-N 2 1 356.514 3.326 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1 ZINC000458536497 501468724 /nfs/dbraw/zinc/46/87/24/501468724.db2.gz GLTRBBOMQCYQMR-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000458536497 501468728 /nfs/dbraw/zinc/46/87/28/501468728.db2.gz GLTRBBOMQCYQMR-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1 ZINC000458536497 501468730 /nfs/dbraw/zinc/46/87/30/501468730.db2.gz GLTRBBOMQCYQMR-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000458578219 501478752 /nfs/dbraw/zinc/47/87/52/501478752.db2.gz QOFBQNVVICSSSY-MHJFOBGBSA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC1 ZINC000452730404 501552728 /nfs/dbraw/zinc/55/27/28/501552728.db2.gz MIZCBIZOKWPYEK-UHFFFAOYSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000458977055 501569329 /nfs/dbraw/zinc/56/93/29/501569329.db2.gz OSCUZAPKKWJBSJ-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000458977055 501569332 /nfs/dbraw/zinc/56/93/32/501569332.db2.gz OSCUZAPKKWJBSJ-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000458977055 501569335 /nfs/dbraw/zinc/56/93/35/501569335.db2.gz OSCUZAPKKWJBSJ-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CC1(C)C[N@@H+](CC2(O)CCOCC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017296 501602205 /nfs/dbraw/zinc/60/22/05/501602205.db2.gz NALWYTFSIHEKFX-OAQYLSRUSA-N 2 1 372.553 3.151 20 0 FGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc(Br)c1O ZINC000459297935 501627033 /nfs/dbraw/zinc/62/70/33/501627033.db2.gz IHRPNJRDKHGGMC-CYBMUJFWSA-N 2 1 371.319 3.327 20 0 FGADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc(Br)c1O ZINC000459297935 501627036 /nfs/dbraw/zinc/62/70/36/501627036.db2.gz IHRPNJRDKHGGMC-CYBMUJFWSA-N 2 1 371.319 3.327 20 0 FGADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Br)c1O ZINC000459297935 501627029 /nfs/dbraw/zinc/62/70/29/501627029.db2.gz IHRPNJRDKHGGMC-CYBMUJFWSA-N 2 1 371.319 3.327 20 0 FGADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc(Br)c1O ZINC000459297935 501627032 /nfs/dbraw/zinc/62/70/32/501627032.db2.gz IHRPNJRDKHGGMC-CYBMUJFWSA-N 2 1 371.319 3.327 20 0 FGADMP O[C@H](C[NH2+]C/C=C\c1ccc(OCc2ccccc2)cc1)C[NH+]1CCCC1 ZINC000459459558 501657325 /nfs/dbraw/zinc/65/73/25/501657325.db2.gz DTPGGKMGQMDVNE-NOUOYNBVSA-N 2 1 366.505 3.325 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc(O)c3Br)C2)CC1 ZINC000459551276 501675242 /nfs/dbraw/zinc/67/52/42/501675242.db2.gz NACLOEFPJFPJBS-CQSZACIVSA-N 2 1 353.304 3.318 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581789 501681209 /nfs/dbraw/zinc/68/12/09/501681209.db2.gz QDSMNNMZLHXKHK-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581789 501681211 /nfs/dbraw/zinc/68/12/11/501681211.db2.gz QDSMNNMZLHXKHK-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581789 501681212 /nfs/dbraw/zinc/68/12/12/501681212.db2.gz QDSMNNMZLHXKHK-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459581789 501681215 /nfs/dbraw/zinc/68/12/15/501681215.db2.gz QDSMNNMZLHXKHK-NRFANRHFSA-N 2 1 369.553 3.330 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000457471471 501705160 /nfs/dbraw/zinc/70/51/60/501705160.db2.gz BMHAVSZZZORKSB-KRWDZBQOSA-N 2 1 368.953 3.362 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000460114524 501728445 /nfs/dbraw/zinc/72/84/45/501728445.db2.gz LHNIJCNMQMOECH-IBGZPJMESA-N 2 1 374.573 3.318 20 0 FGADMP CO[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290339 501759582 /nfs/dbraw/zinc/75/95/82/501759582.db2.gz IECUIIULYWIBNO-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[NH+](Cc2cccc(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290339 501759588 /nfs/dbraw/zinc/75/95/88/501759588.db2.gz IECUIIULYWIBNO-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@H]1C[NH+](Cc2cccc(C[N@H+]3CC[C@H](C)[C@H](OC)C3)c2)CC[C@@H]1C ZINC000467290339 501759590 /nfs/dbraw/zinc/75/95/90/501759590.db2.gz IECUIIULYWIBNO-YHDSQAASSA-N 2 1 360.542 3.400 20 0 FGADMP CO[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000467289164 501760257 /nfs/dbraw/zinc/76/02/57/501760257.db2.gz MCBDRGZJGUPVBR-MOXQZVSFSA-N 2 1 360.542 3.400 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672186 501761706 /nfs/dbraw/zinc/76/17/06/501761706.db2.gz BRADVQRYFWJSGI-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672186 501761711 /nfs/dbraw/zinc/76/17/11/501761711.db2.gz BRADVQRYFWJSGI-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672186 501761715 /nfs/dbraw/zinc/76/17/15/501761715.db2.gz BRADVQRYFWJSGI-AZUAARDMSA-N 2 1 361.505 3.027 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1I ZINC000467373396 501780202 /nfs/dbraw/zinc/78/02/02/501780202.db2.gz LZSSPLBAFMUEJW-DVOMOZLQSA-N 2 1 372.294 3.418 20 0 FGADMP COc1ccc2nc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)sc2c1 ZINC000474346030 501799288 /nfs/dbraw/zinc/79/92/88/501799288.db2.gz PCTJQJROSWKKDI-GASCZTMLSA-N 2 1 363.527 3.284 20 0 FGADMP C[C@@H]1C[NH+](CCCCC[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470921799 501855913 /nfs/dbraw/zinc/85/59/13/501855913.db2.gz CRZRDYQMRZAGSM-BTYSMDAFSA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470921799 501855917 /nfs/dbraw/zinc/85/59/17/501855917.db2.gz CRZRDYQMRZAGSM-BTYSMDAFSA-N 2 1 350.547 3.155 20 0 FGADMP C[C@@H]1C[N@H+](CCCCC[NH+]2C[C@H](C)O[C@@H](C3CC3)C2)C[C@@H](C2CC2)O1 ZINC000470921799 501855922 /nfs/dbraw/zinc/85/59/22/501855922.db2.gz CRZRDYQMRZAGSM-BTYSMDAFSA-N 2 1 350.547 3.155 20 0 FGADMP c1cnn(-c2ccc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]4C3)cc2)c1 ZINC000471018956 501892588 /nfs/dbraw/zinc/89/25/88/501892588.db2.gz NGBPXANDGCDCCI-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cnn(-c2ccc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)c1 ZINC000471018956 501892591 /nfs/dbraw/zinc/89/25/91/501892591.db2.gz NGBPXANDGCDCCI-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP c1cnn(-c2ccc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)C[C@H]4C3)cc2)c1 ZINC000471018956 501892598 /nfs/dbraw/zinc/89/25/98/501892598.db2.gz NGBPXANDGCDCCI-SZPZYZBQSA-N 2 1 358.489 3.436 20 0 FGADMP CC[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCc2ccccc2C1 ZINC000485666026 501894080 /nfs/dbraw/zinc/89/40/80/501894080.db2.gz NMNVOAZRLZSGGD-OAQYLSRUSA-N 2 1 365.521 3.315 20 0 FGADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000471025350 501895061 /nfs/dbraw/zinc/89/50/61/501895061.db2.gz LHHVDEZWOKPTPT-SZPZYZBQSA-N 2 1 369.553 3.137 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000471025350 501895066 /nfs/dbraw/zinc/89/50/66/501895066.db2.gz LHHVDEZWOKPTPT-SZPZYZBQSA-N 2 1 369.553 3.137 20 0 FGADMP O=C(CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)NCC1CCCCC1 ZINC000471025350 501895069 /nfs/dbraw/zinc/89/50/69/501895069.db2.gz LHHVDEZWOKPTPT-SZPZYZBQSA-N 2 1 369.553 3.137 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000482033024 501952337 /nfs/dbraw/zinc/95/23/37/501952337.db2.gz REPHFSLIFCLWED-OAQYLSRUSA-N 2 1 372.557 3.338 20 0 FGADMP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000464339063 501958851 /nfs/dbraw/zinc/95/88/51/501958851.db2.gz GUDMYYDRTCEJFG-UHFFFAOYSA-N 2 1 356.445 3.077 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCOC[C@H]3C)cc2)C[C@H]1C ZINC000474876035 501978105 /nfs/dbraw/zinc/97/81/05/501978105.db2.gz IWPLOZVRMKQHDD-VQQMMKBISA-N 2 1 360.542 3.210 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCCc1cccs1 ZINC000482129814 501982946 /nfs/dbraw/zinc/98/29/46/501982946.db2.gz UBEPNDICLDTMPJ-ZIFCJYIRSA-N 2 1 365.587 3.286 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1cccc(C(C)=O)c1 ZINC000482136989 501985357 /nfs/dbraw/zinc/98/53/57/501985357.db2.gz QTSXRJRUJCPFON-QUCCMNQESA-N 2 1 359.514 3.318 20 0 FGADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]1C ZINC000474939391 501998821 /nfs/dbraw/zinc/99/88/21/501998821.db2.gz AWDHVLSAVQYKFM-ZZEDZQHJSA-N 2 1 358.526 3.464 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1)C(C)C ZINC000582549103 506289635 /nfs/dbraw/zinc/28/96/35/506289635.db2.gz LNQPOPQAUPFUFV-OAQYLSRUSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2ccncc2)cc1)C(C)C ZINC000582549103 506289640 /nfs/dbraw/zinc/28/96/40/506289640.db2.gz LNQPOPQAUPFUFV-OAQYLSRUSA-N 2 1 366.509 3.099 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409794 502051459 /nfs/dbraw/zinc/05/14/59/502051459.db2.gz WELOTXFCOCKFAY-HXUWFJFHSA-N 2 1 370.541 3.330 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409794 502051463 /nfs/dbraw/zinc/05/14/63/502051463.db2.gz WELOTXFCOCKFAY-HXUWFJFHSA-N 2 1 370.541 3.330 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409794 502051469 /nfs/dbraw/zinc/05/14/69/502051469.db2.gz WELOTXFCOCKFAY-HXUWFJFHSA-N 2 1 370.541 3.330 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccc(OC)cc3)c2C)C1 ZINC000468409794 502051474 /nfs/dbraw/zinc/05/14/74/502051474.db2.gz WELOTXFCOCKFAY-HXUWFJFHSA-N 2 1 370.541 3.330 20 0 FGADMP CC(C)[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000468510978 502086032 /nfs/dbraw/zinc/08/60/32/502086032.db2.gz JSMYJBXIZBMTKS-SFTDATJTSA-N 2 1 373.541 3.262 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000475189346 502094712 /nfs/dbraw/zinc/09/47/12/502094712.db2.gz AFSCDCVOWOHZIE-RCCFBDPRSA-N 2 1 364.530 3.286 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000475189346 502094717 /nfs/dbraw/zinc/09/47/17/502094717.db2.gz AFSCDCVOWOHZIE-RCCFBDPRSA-N 2 1 364.530 3.286 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cc2ccccc2o1 ZINC000482526054 502100314 /nfs/dbraw/zinc/10/03/14/502100314.db2.gz SMULXXFKAZXGSZ-HKUYNNGSSA-N 2 1 371.525 3.411 20 0 FGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000468553580 502104279 /nfs/dbraw/zinc/10/42/79/502104279.db2.gz LTBYMRFCEPURQA-GCJKJVERSA-N 2 1 356.485 3.373 20 0 FGADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000468553580 502104287 /nfs/dbraw/zinc/10/42/87/502104287.db2.gz LTBYMRFCEPURQA-GCJKJVERSA-N 2 1 356.485 3.373 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000461438094 502114468 /nfs/dbraw/zinc/11/44/68/502114468.db2.gz KFSSSFUSZNIZGQ-FGZHOGPDSA-N 2 1 369.553 3.233 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000461605211 502151236 /nfs/dbraw/zinc/15/12/36/502151236.db2.gz CHQQQBLQDFKJGR-QGZVFWFLSA-N 2 1 363.571 3.086 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000472066956 502217191 /nfs/dbraw/zinc/21/71/91/502217191.db2.gz ZKIPGQYFXJIMLF-RBUKOAKNSA-N 2 1 366.594 3.403 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468922535 502231158 /nfs/dbraw/zinc/23/11/58/502231158.db2.gz KACFCODAFZCGPE-USTZCAOPSA-N 2 1 359.514 3.107 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468922535 502231163 /nfs/dbraw/zinc/23/11/63/502231163.db2.gz KACFCODAFZCGPE-USTZCAOPSA-N 2 1 359.514 3.107 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468922535 502231166 /nfs/dbraw/zinc/23/11/66/502231166.db2.gz KACFCODAFZCGPE-USTZCAOPSA-N 2 1 359.514 3.107 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000468922535 502231170 /nfs/dbraw/zinc/23/11/70/502231170.db2.gz KACFCODAFZCGPE-USTZCAOPSA-N 2 1 359.514 3.107 20 0 FGADMP CC(C)OCC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000472170585 502256713 /nfs/dbraw/zinc/25/67/13/502256713.db2.gz IALRCNLXYILXTI-OAQYLSRUSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[NH+]1CCC[N@@H+]1CCC[C@]1(CO)CC(C)C ZINC000475718423 502263301 /nfs/dbraw/zinc/26/33/01/502263301.db2.gz YMBCFLZCDYKGLP-NHCUHLMSSA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[NH+](C)C ZINC000472192548 502264820 /nfs/dbraw/zinc/26/48/20/502264820.db2.gz OJTCCMIKNOWTRV-IRLDBZIGSA-N 2 1 357.542 3.087 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269267 /nfs/dbraw/zinc/26/92/67/502269267.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269274 /nfs/dbraw/zinc/26/92/74/502269274.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269278 /nfs/dbraw/zinc/26/92/78/502269278.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 2 1 373.585 3.235 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269285 /nfs/dbraw/zinc/26/92/85/502269285.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269291 /nfs/dbraw/zinc/26/92/91/502269291.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269294 /nfs/dbraw/zinc/26/92/94/502269294.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 3 1 373.585 3.235 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000479468603 502269302 /nfs/dbraw/zinc/26/93/02/502269302.db2.gz YREZBCKAFRYYQI-PUHATCMVSA-N 3 1 373.585 3.235 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462004228 502270380 /nfs/dbraw/zinc/27/03/80/502270380.db2.gz QBAVOTFOAOOQEH-OTWHNJEPSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462004228 502270385 /nfs/dbraw/zinc/27/03/85/502270385.db2.gz QBAVOTFOAOOQEH-OTWHNJEPSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462004228 502270388 /nfs/dbraw/zinc/27/03/88/502270388.db2.gz QBAVOTFOAOOQEH-OTWHNJEPSA-N 2 1 352.567 3.011 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000462014768 502274270 /nfs/dbraw/zinc/27/42/70/502274270.db2.gz NFVJGBPQOVDJRD-NRFANRHFSA-N 2 1 371.569 3.418 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc(C)sc2c1 ZINC000469043595 502275550 /nfs/dbraw/zinc/27/55/50/502275550.db2.gz STRFGHFYAULUJS-KRWDZBQOSA-N 2 1 374.554 3.093 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000483142484 502289580 /nfs/dbraw/zinc/28/95/80/502289580.db2.gz IXMLBSWCURPCHE-ZTFGCOKTSA-N 2 1 355.448 3.210 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000483142484 502289584 /nfs/dbraw/zinc/28/95/84/502289584.db2.gz IXMLBSWCURPCHE-ZTFGCOKTSA-N 2 1 355.448 3.210 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000483142483 502289942 /nfs/dbraw/zinc/28/99/42/502289942.db2.gz IXMLBSWCURPCHE-JLSDUUJJSA-N 2 1 355.448 3.210 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccc(C(F)(F)F)cc2)C1 ZINC000483142483 502289947 /nfs/dbraw/zinc/28/99/47/502289947.db2.gz IXMLBSWCURPCHE-JLSDUUJJSA-N 2 1 355.448 3.210 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000469086213 502291876 /nfs/dbraw/zinc/29/18/76/502291876.db2.gz SSYSNNORANUNNH-KURKYZTESA-N 2 1 361.530 3.186 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000469086213 502291880 /nfs/dbraw/zinc/29/18/80/502291880.db2.gz SSYSNNORANUNNH-KURKYZTESA-N 2 1 361.530 3.186 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000472273965 502294144 /nfs/dbraw/zinc/29/41/44/502294144.db2.gz GRASPVNEZAAKGF-MRXNPFEDSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000472273965 502294152 /nfs/dbraw/zinc/29/41/52/502294152.db2.gz GRASPVNEZAAKGF-MRXNPFEDSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281536 502297027 /nfs/dbraw/zinc/29/70/27/502297027.db2.gz UHNBYDUIPPNAGE-ICSRJNTNSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cc(C)cc(C)c2)C1 ZINC000472281536 502297032 /nfs/dbraw/zinc/29/70/32/502297032.db2.gz UHNBYDUIPPNAGE-ICSRJNTNSA-N 2 1 361.530 3.063 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)C1CCCCC1 ZINC000465540489 502298569 /nfs/dbraw/zinc/29/85/69/502298569.db2.gz LFKBTUYVGODXJK-UXHICEINSA-N 2 1 364.578 3.061 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472292998 502303224 /nfs/dbraw/zinc/30/32/24/502303224.db2.gz MYVVOQZRFJNMAO-HKUYNNGSSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000472292998 502303232 /nfs/dbraw/zinc/30/32/32/502303232.db2.gz MYVVOQZRFJNMAO-HKUYNNGSSA-N 2 1 361.530 3.009 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C)[C@@H](C)C3)cc2)C1 ZINC000465570640 502311511 /nfs/dbraw/zinc/31/15/11/502311511.db2.gz MWPYGAKCEZCZFW-LQWHRVPQSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465570640 502311516 /nfs/dbraw/zinc/31/15/16/502311516.db2.gz MWPYGAKCEZCZFW-LQWHRVPQSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@@H](C)C3)cc2)C1 ZINC000465570640 502311520 /nfs/dbraw/zinc/31/15/20/502311520.db2.gz MWPYGAKCEZCZFW-LQWHRVPQSA-N 2 1 372.557 3.200 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCc2ccc(C[NH+](CC)CC)cc2)C1 ZINC000465595030 502319778 /nfs/dbraw/zinc/31/97/78/502319778.db2.gz JBBZODABKYJWFX-OAQYLSRUSA-N 2 1 374.573 3.402 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)o1 ZINC000472376523 502334340 /nfs/dbraw/zinc/33/43/40/502334340.db2.gz XTHVBFLLVOWBIE-IEBWSBKVSA-N 2 1 356.466 3.238 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)CC2 ZINC000465683795 502346296 /nfs/dbraw/zinc/34/62/96/502346296.db2.gz ABRXSLVJTFSQBZ-YOUFYPILSA-N 2 1 364.578 3.154 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1)c1ccsc1 ZINC000487103825 502360305 /nfs/dbraw/zinc/36/03/05/502360305.db2.gz OCAHUIGCEQBMAI-MSOLQXFVSA-N 2 1 366.575 3.113 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000465747430 502369056 /nfs/dbraw/zinc/36/90/56/502369056.db2.gz FNMFPTHAPVCNMN-QRVBRYPASA-N 2 1 366.594 3.259 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000465762896 502375059 /nfs/dbraw/zinc/37/50/59/502375059.db2.gz RWEPZYZTFLYKOB-ZCHBJMIBSA-N 2 1 364.578 3.057 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)C1 ZINC000465762896 502375067 /nfs/dbraw/zinc/37/50/67/502375067.db2.gz RWEPZYZTFLYKOB-ZCHBJMIBSA-N 2 1 364.578 3.057 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)C1 ZINC000465762896 502375074 /nfs/dbraw/zinc/37/50/74/502375074.db2.gz RWEPZYZTFLYKOB-ZCHBJMIBSA-N 2 1 364.578 3.057 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000465767552 502376757 /nfs/dbraw/zinc/37/67/57/502376757.db2.gz CAQCOZPQEZPJCQ-JZXOWHBKSA-N 2 1 366.575 3.161 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000469345093 502382574 /nfs/dbraw/zinc/38/25/74/502382574.db2.gz QSUMMIYKEGBINK-SFHLNBCPSA-N 2 1 357.542 3.420 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](CC)C1CC1 ZINC000465844100 502400220 /nfs/dbraw/zinc/40/02/20/502400220.db2.gz NMLWRNHZTOPSJE-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](CC)C1CC1 ZINC000465844100 502400226 /nfs/dbraw/zinc/40/02/26/502400226.db2.gz NMLWRNHZTOPSJE-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000465844100 502400233 /nfs/dbraw/zinc/40/02/33/502400233.db2.gz NMLWRNHZTOPSJE-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1c(Cl)cccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000487329400 502418602 /nfs/dbraw/zinc/41/86/02/502418602.db2.gz XVJCLUOQKYLWHG-UHFFFAOYSA-N 2 1 353.938 3.102 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465914686 502425546 /nfs/dbraw/zinc/42/55/46/502425546.db2.gz CCUIMAIVQKCEDJ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465914686 502425550 /nfs/dbraw/zinc/42/55/50/502425550.db2.gz CCUIMAIVQKCEDJ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465914686 502425552 /nfs/dbraw/zinc/42/55/52/502425552.db2.gz CCUIMAIVQKCEDJ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1ccc(C)cc1 ZINC000465950159 502437780 /nfs/dbraw/zinc/43/77/80/502437780.db2.gz MBCBGCFRYRHKOY-CTNGQTDRSA-N 2 1 374.573 3.156 20 0 FGADMP CC1CC[NH+](CC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600117 502440482 /nfs/dbraw/zinc/44/04/82/502440482.db2.gz RIGDXDCBYZXZKF-FCHUYYIVSA-N 2 1 369.553 3.231 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710891 502471467 /nfs/dbraw/zinc/47/14/67/502471467.db2.gz MJDFWXVBUMIUMA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710891 502471469 /nfs/dbraw/zinc/47/14/69/502471469.db2.gz MJDFWXVBUMIUMA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710891 502471473 /nfs/dbraw/zinc/47/14/73/502471473.db2.gz MJDFWXVBUMIUMA-AZUAARDMSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000466096516 502477110 /nfs/dbraw/zinc/47/71/10/502477110.db2.gz WDVTZDHJTBDWGI-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000466096516 502477117 /nfs/dbraw/zinc/47/71/17/502477117.db2.gz WDVTZDHJTBDWGI-LJQANCHMSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000476403964 502480476 /nfs/dbraw/zinc/48/04/76/502480476.db2.gz HEDLVLBPTYDESE-NRFANRHFSA-N 2 1 370.541 3.051 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483753997 502483442 /nfs/dbraw/zinc/48/34/42/502483442.db2.gz ARCUQQFDBSTHQS-HCXYKTFWSA-N 2 1 366.594 3.257 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483753997 502483447 /nfs/dbraw/zinc/48/34/47/502483447.db2.gz ARCUQQFDBSTHQS-HCXYKTFWSA-N 2 1 366.594 3.257 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C ZINC000483753997 502483450 /nfs/dbraw/zinc/48/34/50/502483450.db2.gz ARCUQQFDBSTHQS-HCXYKTFWSA-N 2 1 366.594 3.257 20 0 FGADMP C[C@H](CCNC(=O)NCC[N@@H+](C)C1CCCC1)[NH+](C)Cc1ccccc1 ZINC000472999186 502494837 /nfs/dbraw/zinc/49/48/37/502494837.db2.gz INBCKQRSQGEHEV-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CCNC(=O)NCC[NH+](C)C1CCCC1)[N@H+](C)Cc1ccccc1 ZINC000472999186 502494844 /nfs/dbraw/zinc/49/48/44/502494844.db2.gz INBCKQRSQGEHEV-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CCNC(=O)NCC[NH+](C)C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000472999186 502494851 /nfs/dbraw/zinc/49/48/51/502494851.db2.gz INBCKQRSQGEHEV-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CN(C)c1cc(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)cc[nH+]1 ZINC000480191062 502496585 /nfs/dbraw/zinc/49/65/85/502496585.db2.gz HKRGHOWRBXYTBP-MRXNPFEDSA-N 2 1 356.445 3.137 20 0 FGADMP CN(C)c1cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)cc[nH+]1 ZINC000480191062 502496589 /nfs/dbraw/zinc/49/65/89/502496589.db2.gz HKRGHOWRBXYTBP-MRXNPFEDSA-N 2 1 356.445 3.137 20 0 FGADMP C[C@@H](CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473008197 502498770 /nfs/dbraw/zinc/49/87/70/502498770.db2.gz ILWVBCWLLWXCEE-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000462625183 502511988 /nfs/dbraw/zinc/51/19/88/502511988.db2.gz XFGJCSFINFRHCK-UXHICEINSA-N 2 1 366.594 3.404 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000462625623 502512127 /nfs/dbraw/zinc/51/21/27/502512127.db2.gz XFGJCSFINFRHCK-WOJBJXKFSA-N 2 1 366.594 3.404 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H](C)O1 ZINC000480261361 502516344 /nfs/dbraw/zinc/51/63/44/502516344.db2.gz IYLWSXDNWFITBK-GPQLQYNLSA-N 2 1 373.585 3.374 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000480273264 502521941 /nfs/dbraw/zinc/52/19/41/502521941.db2.gz GSTHJDOKHGPSNV-FQEVSTJZSA-N 2 1 363.571 3.086 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000462797775 502579485 /nfs/dbraw/zinc/57/94/85/502579485.db2.gz GEBZEEWVCUDETI-CYBMUJFWSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000462797775 502579491 /nfs/dbraw/zinc/57/94/91/502579491.db2.gz GEBZEEWVCUDETI-CYBMUJFWSA-N 2 1 361.349 3.443 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000462744940 502556023 /nfs/dbraw/zinc/55/60/23/502556023.db2.gz NOMUQUSIKWWVCF-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000469832658 502560874 /nfs/dbraw/zinc/56/08/74/502560874.db2.gz USCSYCVINAPZSP-RCLSDMTESA-N 2 1 357.542 3.371 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000469860171 502571721 /nfs/dbraw/zinc/57/17/21/502571721.db2.gz DPYQLVXQVFJJLZ-VQIMIIECSA-N 2 1 369.509 3.075 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000484127977 502576720 /nfs/dbraw/zinc/57/67/20/502576720.db2.gz LUKONMADKCONMT-GOTSBHOMSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000484127977 502576724 /nfs/dbraw/zinc/57/67/24/502576724.db2.gz LUKONMADKCONMT-GOTSBHOMSA-N 2 1 366.505 3.299 20 0 FGADMP CCC[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000466466233 502578066 /nfs/dbraw/zinc/57/80/66/502578066.db2.gz OZXURJNOBGRDCY-FQEVSTJZSA-N 2 1 357.542 3.411 20 0 FGADMP COCC[N@@H+](C[C@H](O)Cn1cnc2cc(C)c(C)cc21)[C@@H]1CCC[C@H]1C ZINC000487964525 502582307 /nfs/dbraw/zinc/58/23/07/502582307.db2.gz UGLMPNILJGZNNL-MOXGXCLJSA-N 2 1 359.514 3.151 20 0 FGADMP O[C@]1(CN[C@H]2CCCOc3ccc(F)cc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484161116 502589120 /nfs/dbraw/zinc/58/91/20/502589120.db2.gz MOWJMUNTJYNWPC-UNMCSNQZSA-N 2 1 370.468 3.266 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C)C1 ZINC000480722893 502652612 /nfs/dbraw/zinc/65/26/12/502652612.db2.gz QNTGHSFYMGXOOO-SESVDKBCSA-N 2 1 353.595 3.224 20 0 FGADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000480769641 502666874 /nfs/dbraw/zinc/66/68/74/502666874.db2.gz IWXNLFUNABNBKC-GOSISDBHSA-N 2 1 358.530 3.416 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(-c2cc(C)ccc2C)c1C ZINC000480769641 502666879 /nfs/dbraw/zinc/66/68/79/502666879.db2.gz IWXNLFUNABNBKC-GOSISDBHSA-N 2 1 358.530 3.416 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000463063493 502681283 /nfs/dbraw/zinc/68/12/83/502681283.db2.gz GYFCKHFYWLZYAT-KRWDZBQOSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115225 502699335 /nfs/dbraw/zinc/69/93/35/502699335.db2.gz XEINZEXEAUJLCV-RXVVDRJESA-N 2 1 354.494 3.200 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000488499214 502732608 /nfs/dbraw/zinc/73/26/08/502732608.db2.gz NQPBZSHQGDKOOS-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488507091 502735316 /nfs/dbraw/zinc/73/53/16/502735316.db2.gz VWALLGMJVSPMFG-LVCYWYKZSA-N 2 1 372.557 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1 ZINC000488507091 502735320 /nfs/dbraw/zinc/73/53/20/502735320.db2.gz VWALLGMJVSPMFG-LVCYWYKZSA-N 2 1 372.557 3.010 20 0 FGADMP FC(F)(F)c1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000484774771 502737901 /nfs/dbraw/zinc/73/79/01/502737901.db2.gz HDZMMGMTGBVVKV-RCCFBDPRSA-N 2 1 356.432 3.385 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)CC[NH+](C)C2CC2)cc1 ZINC000473886739 502738388 /nfs/dbraw/zinc/73/83/88/502738388.db2.gz SNRXXJKWTDAWJU-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000473886739 502738394 /nfs/dbraw/zinc/73/83/94/502738394.db2.gz SNRXXJKWTDAWJU-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000473886739 502738397 /nfs/dbraw/zinc/73/83/97/502738397.db2.gz SNRXXJKWTDAWJU-GOSISDBHSA-N 2 1 372.557 3.297 20 0 FGADMP CO[C@H](CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(F)(F)F ZINC000463277958 502743656 /nfs/dbraw/zinc/74/36/56/502743656.db2.gz ATSXWYVSQCRBMA-QGZVFWFLSA-N 2 1 362.411 3.390 20 0 FGADMP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000470376799 502755030 /nfs/dbraw/zinc/75/50/30/502755030.db2.gz WJYSBYWAQYWEAO-UHFFFAOYSA-N 2 1 363.505 3.071 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907469 502772843 /nfs/dbraw/zinc/77/28/43/502772843.db2.gz OSZULBFXGWMPOE-JDFRZJQESA-N 2 1 370.324 3.326 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000484907469 502772848 /nfs/dbraw/zinc/77/28/48/502772848.db2.gz OSZULBFXGWMPOE-JDFRZJQESA-N 2 1 370.324 3.326 20 0 FGADMP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177986 502774374 /nfs/dbraw/zinc/77/43/74/502774374.db2.gz FJKHTVZANWBRQK-KGVIQGDOSA-N 2 1 369.553 3.276 20 0 FGADMP C[C@@H](C1CC1)N(C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000481177986 502774379 /nfs/dbraw/zinc/77/43/79/502774379.db2.gz FJKHTVZANWBRQK-KGVIQGDOSA-N 2 1 369.553 3.276 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CC[C@H](C)[C@@H]2C)[NH+]2CCCCC2)cc1 ZINC000484933323 502781201 /nfs/dbraw/zinc/78/12/01/502781201.db2.gz GXPXJVXNWOLTKC-WFXMLNOXSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991303 502794135 /nfs/dbraw/zinc/79/41/35/502794135.db2.gz WNHZQJRRZVDAIE-QRFRQXIXSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(C(C)(C)C)cc2)C1 ZINC000484991303 502794139 /nfs/dbraw/zinc/79/41/39/502794139.db2.gz WNHZQJRRZVDAIE-QRFRQXIXSA-N 2 1 357.542 3.317 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1[C@H]1CCOC1 ZINC000474081839 502802504 /nfs/dbraw/zinc/80/25/04/502802504.db2.gz OAOXBFWARLVRMJ-CWBXHPNXSA-N 2 1 372.553 3.328 20 0 FGADMP CC[C@H](C(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531043 502806232 /nfs/dbraw/zinc/80/62/32/502806232.db2.gz UFCYTULZMLNSLF-NHCUHLMSSA-N 2 1 359.558 3.477 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000513012296 502830439 /nfs/dbraw/zinc/83/04/39/502830439.db2.gz SDWJUJWZWXGFMH-CYBMUJFWSA-N 2 1 371.319 3.375 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)c(O)c(OCC)c2)C1 ZINC000513012296 502830442 /nfs/dbraw/zinc/83/04/42/502830442.db2.gz SDWJUJWZWXGFMH-CYBMUJFWSA-N 2 1 371.319 3.375 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)N(C)CC(C)(C)C ZINC000509169486 502839062 /nfs/dbraw/zinc/83/90/62/502839062.db2.gz XDQZNPLFAULRLJ-UHFFFAOYSA-N 2 1 366.594 3.212 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000500859612 502879819 /nfs/dbraw/zinc/87/98/19/502879819.db2.gz BCEJPPICCSLSHU-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000500859612 502879825 /nfs/dbraw/zinc/87/98/25/502879825.db2.gz BCEJPPICCSLSHU-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000500859612 502879828 /nfs/dbraw/zinc/87/98/28/502879828.db2.gz BCEJPPICCSLSHU-NHCUHLMSSA-N 2 1 372.557 3.215 20 0 FGADMP Cc1cccc(C)c1OCCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000496807080 502907029 /nfs/dbraw/zinc/90/70/29/502907029.db2.gz WUPJPTNPDJNICF-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP Cc1cccc(C)c1OCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000496807080 502907035 /nfs/dbraw/zinc/90/70/35/502907035.db2.gz WUPJPTNPDJNICF-OAQYLSRUSA-N 2 1 359.558 3.174 20 0 FGADMP C[C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000501025164 502914939 /nfs/dbraw/zinc/91/49/39/502914939.db2.gz YXOHGWOVJASNQB-OPYAIIAOSA-N 2 1 372.557 3.171 20 0 FGADMP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2nc(C3CCCCC3)no2)CC1 ZINC000501029180 502916185 /nfs/dbraw/zinc/91/61/85/502916185.db2.gz MXIWRLODIWVBCO-QGZVFWFLSA-N 2 1 363.550 3.184 20 0 FGADMP CC[NH+]1CCN(c2cccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c2)CC1 ZINC000505545645 502931828 /nfs/dbraw/zinc/93/18/28/502931828.db2.gz VXSCMCCUHIFHKH-IBGZPJMESA-N 2 1 358.530 3.032 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000489351887 502935932 /nfs/dbraw/zinc/93/59/32/502935932.db2.gz AZJYOGAQJUQNSG-FQEVSTJZSA-N 2 1 359.514 3.364 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000509568563 502937126 /nfs/dbraw/zinc/93/71/26/502937126.db2.gz MITDXJXSMNUFNB-XLAORIBOSA-N 2 1 364.534 3.223 20 0 FGADMP Cc1[nH+]ccn1CCCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000513445586 502940989 /nfs/dbraw/zinc/94/09/89/502940989.db2.gz VDBWWHWIKRMDNZ-SFHVURJKSA-N 2 1 368.525 3.041 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccsc1 ZINC000501163292 502952065 /nfs/dbraw/zinc/95/20/65/502952065.db2.gz MQBHUCXACLUQIA-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP COC(=O)c1cc(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000513508354 502955305 /nfs/dbraw/zinc/95/53/05/502955305.db2.gz YAJLGJFDCUNKEV-WMZOPIPTSA-N 2 1 355.482 3.192 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509652916 502958056 /nfs/dbraw/zinc/95/80/56/502958056.db2.gz PQAGXPVHQMQANY-UHFFFAOYSA-N 2 1 358.574 3.005 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCCN2CCN(c3ccccc3)CC2)CC1 ZINC000509652916 502958061 /nfs/dbraw/zinc/95/80/61/502958061.db2.gz PQAGXPVHQMQANY-UHFFFAOYSA-N 2 1 358.574 3.005 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497507405 502975346 /nfs/dbraw/zinc/97/53/46/502975346.db2.gz SGOLDNGGCFLGRG-AOIWGVFYSA-N 2 1 353.457 3.122 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497507405 502975349 /nfs/dbraw/zinc/97/53/49/502975349.db2.gz SGOLDNGGCFLGRG-AOIWGVFYSA-N 2 1 353.457 3.122 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000505808430 502990815 /nfs/dbraw/zinc/99/08/15/502990815.db2.gz XKSCPWUVOINKTQ-SFHVURJKSA-N 2 1 373.566 3.318 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000513667336 502995248 /nfs/dbraw/zinc/99/52/48/502995248.db2.gz QNILEKZDSYCMRV-XIRDDKMYSA-N 2 1 350.890 3.464 20 0 FGADMP CC(C)NC(=O)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513672838 502997412 /nfs/dbraw/zinc/99/74/12/502997412.db2.gz MRURYTRNUXNNCY-PWRODBHTSA-N 2 1 357.542 3.182 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncnc2sccc21 ZINC000489607416 502997668 /nfs/dbraw/zinc/99/76/68/502997668.db2.gz OCDWAWHZRWCAJN-UHFFFAOYSA-N 2 1 373.570 3.324 20 0 FGADMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)[NH+](C)C ZINC000509936285 503014303 /nfs/dbraw/zinc/01/43/03/503014303.db2.gz AWHIGIGMPDDPAN-AZUAARDMSA-N 2 1 363.521 3.130 20 0 FGADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000513816050 503028989 /nfs/dbraw/zinc/02/89/89/503028989.db2.gz GZHDXRWVBKANMU-IBGZPJMESA-N 2 1 373.541 3.065 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501549968 503035721 /nfs/dbraw/zinc/03/57/21/503035721.db2.gz KCYRRFQQLYNZJX-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000501549970 503036072 /nfs/dbraw/zinc/03/60/72/503036072.db2.gz KCYRRFQQLYNZJX-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000497774616 503037572 /nfs/dbraw/zinc/03/75/72/503037572.db2.gz DRRZGSFNKLBULT-KGVIQGDOSA-N 2 1 365.521 3.481 20 0 FGADMP C[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC(C(C)(C)C)CC1 ZINC000506204913 503069262 /nfs/dbraw/zinc/06/92/62/503069262.db2.gz QMSWAWBQTPVTPJ-UHFFFAOYSA-N 2 1 359.562 3.265 20 0 FGADMP C[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C1CCC(C(C)(C)C)CC1 ZINC000506204913 503069265 /nfs/dbraw/zinc/06/92/65/503069265.db2.gz QMSWAWBQTPVTPJ-UHFFFAOYSA-N 2 1 359.562 3.265 20 0 FGADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000582660104 506352080 /nfs/dbraw/zinc/35/20/80/506352080.db2.gz BAAWSKTWKOMUFW-JWKWWPEFSA-N 2 1 356.510 3.434 20 0 FGADMP COc1cc(N[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067715 503103084 /nfs/dbraw/zinc/10/30/84/503103084.db2.gz PIHGZFBDOVNIPS-MJGOQNOKSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc(OC)c1 ZINC000490067715 503103086 /nfs/dbraw/zinc/10/30/86/503103086.db2.gz PIHGZFBDOVNIPS-MJGOQNOKSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cc(OC)c1 ZINC000490067715 503103090 /nfs/dbraw/zinc/10/30/90/503103090.db2.gz PIHGZFBDOVNIPS-MJGOQNOKSA-N 2 1 361.530 3.455 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000510405725 503107358 /nfs/dbraw/zinc/10/73/58/503107358.db2.gz GIAPDOSCNHVGCF-CVEARBPZSA-N 2 1 357.498 3.345 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000514215013 503115186 /nfs/dbraw/zinc/11/51/86/503115186.db2.gz QIALOZVRUDWJCJ-DYXWJJEUSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000514229588 503119551 /nfs/dbraw/zinc/11/95/51/503119551.db2.gz SGKVCCIUQJIBEK-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000514244955 503123991 /nfs/dbraw/zinc/12/39/91/503123991.db2.gz PPMBDXQPGYZPEK-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000514244955 503123994 /nfs/dbraw/zinc/12/39/94/503123994.db2.gz PPMBDXQPGYZPEK-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000514244955 503123999 /nfs/dbraw/zinc/12/39/99/503123999.db2.gz PPMBDXQPGYZPEK-FGTMMUONSA-N 2 1 352.567 3.059 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1Cl ZINC000498358037 503167274 /nfs/dbraw/zinc/16/72/74/503167274.db2.gz CRRFXYHAPAKVRO-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCC34CCOCC4)CCCC2)CC1 ZINC000502281611 503174114 /nfs/dbraw/zinc/17/41/14/503174114.db2.gz LIEJCEVWOCNXLS-LJQANCHMSA-N 2 1 350.547 3.349 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000510829888 503200439 /nfs/dbraw/zinc/20/04/39/503200439.db2.gz MDAGJUMSZWLOPU-XMSQKQJNSA-N 2 1 365.521 3.497 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000490863247 503238057 /nfs/dbraw/zinc/23/80/57/503238057.db2.gz RMQJRWALIADXNC-ROUUACIJSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cccc(C[NH+](C)Cc2ccccc2)c1 ZINC000498721329 503248067 /nfs/dbraw/zinc/24/80/67/503248067.db2.gz KPSHWBVAKLKRED-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)c1cccc(C[N@H+](C)Cc2ccccc2)c1 ZINC000498721329 503248068 /nfs/dbraw/zinc/24/80/68/503248068.db2.gz KPSHWBVAKLKRED-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000498721329 503248070 /nfs/dbraw/zinc/24/80/70/503248070.db2.gz KPSHWBVAKLKRED-IBGZPJMESA-N 2 1 365.521 3.485 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987785 503256062 /nfs/dbraw/zinc/25/60/62/503256062.db2.gz MXZHDHGSDDAPQF-YLJYHZDGSA-N 2 1 370.566 3.268 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490987785 503256064 /nfs/dbraw/zinc/25/60/64/503256064.db2.gz MXZHDHGSDDAPQF-YLJYHZDGSA-N 2 1 370.566 3.268 20 0 FGADMP Cc1ccc([C@@H](C)[N@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000507242964 503257620 /nfs/dbraw/zinc/25/76/20/503257620.db2.gz INOWWBKFNRHRPN-GOSISDBHSA-N 2 1 353.514 3.038 20 0 FGADMP Cc1ccc([C@@H](C)[N@@H+](C)Cc2cnc(N3CC[NH+](C)CC3)nc2)c(C)c1 ZINC000507242964 503257623 /nfs/dbraw/zinc/25/76/23/503257623.db2.gz INOWWBKFNRHRPN-GOSISDBHSA-N 2 1 353.514 3.038 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491056811 503266949 /nfs/dbraw/zinc/26/69/49/503266949.db2.gz JLCNDEORKFEBII-SFTDATJTSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccccc1OC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000491056811 503266951 /nfs/dbraw/zinc/26/69/51/503266951.db2.gz JLCNDEORKFEBII-SFTDATJTSA-N 2 1 360.542 3.323 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850406 503275673 /nfs/dbraw/zinc/27/56/73/503275673.db2.gz AVMNMMHVGYHCCC-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP Cc1ccc(OC[C@H](O)C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c(C)c1 ZINC000498850406 503275679 /nfs/dbraw/zinc/27/56/79/503275679.db2.gz AVMNMMHVGYHCCC-FGZHOGPDSA-N 2 1 374.569 3.487 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000502839098 503285543 /nfs/dbraw/zinc/28/55/43/503285543.db2.gz MWAOSISFPJVSPH-LJQANCHMSA-N 2 1 372.557 3.298 20 0 FGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000502858420 503291010 /nfs/dbraw/zinc/29/10/10/503291010.db2.gz ACCSSHSDXMUFEC-IBGZPJMESA-N 2 1 358.530 3.021 20 0 FGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000502858421 503291057 /nfs/dbraw/zinc/29/10/57/503291057.db2.gz ACCSSHSDXMUFEC-LJQANCHMSA-N 2 1 358.530 3.021 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000511412572 503316322 /nfs/dbraw/zinc/31/63/22/503316322.db2.gz DJUUFANDTLQGCK-QUCCMNQESA-N 2 1 374.573 3.317 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000511412572 503316328 /nfs/dbraw/zinc/31/63/28/503316328.db2.gz DJUUFANDTLQGCK-QUCCMNQESA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)NCC[NH+]2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000511441900 503323290 /nfs/dbraw/zinc/32/32/90/503323290.db2.gz VMAJHGOKSKTSDQ-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C[C@H]1C ZINC000499088045 503331119 /nfs/dbraw/zinc/33/11/19/503331119.db2.gz CNMFPBJOPCSZNZ-IXDOHACOSA-N 2 1 364.559 3.009 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)[N@H+](C)Cc1ccccc1 ZINC000511522974 503337179 /nfs/dbraw/zinc/33/71/79/503337179.db2.gz MWFWHULMBNWDJG-INIZCTEOSA-N 2 1 353.466 3.132 20 0 FGADMP C[C@@H](CC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)[N@@H+](C)Cc1ccccc1 ZINC000511522974 503337182 /nfs/dbraw/zinc/33/71/82/503337182.db2.gz MWFWHULMBNWDJG-INIZCTEOSA-N 2 1 353.466 3.132 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000503079514 503342351 /nfs/dbraw/zinc/34/23/51/503342351.db2.gz FHMPFNHXOUGNFC-INIZCTEOSA-N 2 1 355.404 3.136 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cc1ccccc1C(F)(F)F ZINC000503079514 503342355 /nfs/dbraw/zinc/34/23/55/503342355.db2.gz FHMPFNHXOUGNFC-INIZCTEOSA-N 2 1 355.404 3.136 20 0 FGADMP C[C@@](CO)([NH2+]CCC[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000511567150 503346089 /nfs/dbraw/zinc/34/60/89/503346089.db2.gz YJZRHFLSEARKRH-KRWDZBQOSA-N 2 1 355.320 3.122 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1C[NH+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000515527763 503359405 /nfs/dbraw/zinc/35/94/05/503359405.db2.gz QVLBTXRCEVETPB-RBSFLKMASA-N 2 1 365.484 3.132 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000515527763 503359406 /nfs/dbraw/zinc/35/94/06/503359406.db2.gz QVLBTXRCEVETPB-RBSFLKMASA-N 2 1 365.484 3.132 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](C(C)(C)C)C[C@H]1C(F)(F)F ZINC000515527763 503359409 /nfs/dbraw/zinc/35/94/09/503359409.db2.gz QVLBTXRCEVETPB-RBSFLKMASA-N 2 1 365.484 3.132 20 0 FGADMP C[C@H]([NH2+]CCC(=O)N1CCOc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000503198181 503364723 /nfs/dbraw/zinc/36/47/23/503364723.db2.gz KKOJXQFTNANEIF-ROUUACIJSA-N 2 1 371.525 3.045 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000503199729 503366061 /nfs/dbraw/zinc/36/60/61/503366061.db2.gz SPUTYCYZNCOEQU-PKOBYXMFSA-N 2 1 352.544 3.080 20 0 FGADMP O=[S@](CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373567 503396947 /nfs/dbraw/zinc/39/69/47/503396947.db2.gz ILHNYFSOPLDGKN-CRICUBBOSA-N 2 1 357.523 3.207 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000503385940 503398541 /nfs/dbraw/zinc/39/85/41/503398541.db2.gz KNMUSOPOFMRHSK-QXAKKESOSA-N 2 1 360.546 3.097 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000511903448 503412105 /nfs/dbraw/zinc/41/21/05/503412105.db2.gz AVAVAAOYCYRLMT-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccccc1Cl ZINC000493233845 503414290 /nfs/dbraw/zinc/41/42/90/503414290.db2.gz FFBKBTLUSWVEQZ-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccccc1Cl ZINC000493233841 503414635 /nfs/dbraw/zinc/41/46/35/503414635.db2.gz FFBKBTLUSWVEQZ-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)sc1C ZINC000499512878 503422460 /nfs/dbraw/zinc/42/24/60/503422460.db2.gz IHLCIAQAQDYAEI-QGZVFWFLSA-N 2 1 351.560 3.107 20 0 FGADMP CC(C)[NH+]1CCN(c2cccc(NCc3ncc(C[NH+](C)C)s3)c2)CC1 ZINC000511960624 503424107 /nfs/dbraw/zinc/42/41/07/503424107.db2.gz MMYGPDLSKYIMQS-UHFFFAOYSA-N 2 1 373.570 3.347 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000508104426 503431295 /nfs/dbraw/zinc/43/12/95/503431295.db2.gz QSMNXHUKXRUXOX-FQEVSTJZSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000508104426 503431301 /nfs/dbraw/zinc/43/13/01/503431301.db2.gz QSMNXHUKXRUXOX-FQEVSTJZSA-N 2 1 361.505 3.172 20 0 FGADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000493734312 503442684 /nfs/dbraw/zinc/44/26/84/503442684.db2.gz FBMCRURXXHYDIJ-CVDCTZTESA-N 2 1 367.537 3.300 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050610 503444475 /nfs/dbraw/zinc/44/44/75/503444475.db2.gz DGYKLKUBAFDEKY-NHCUHLMSSA-N 2 1 350.462 3.405 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2occc2c1 ZINC000512050610 503444480 /nfs/dbraw/zinc/44/44/80/503444480.db2.gz DGYKLKUBAFDEKY-NHCUHLMSSA-N 2 1 350.462 3.405 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000499660423 503451717 /nfs/dbraw/zinc/45/17/17/503451717.db2.gz PXEFGNRDHUPMDJ-NRFANRHFSA-N 2 1 357.542 3.279 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+](C)C ZINC000493924144 503459278 /nfs/dbraw/zinc/45/92/78/503459278.db2.gz BFEXLBNCVSPKIJ-ZJOUEHCJSA-N 2 1 374.573 3.406 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000503731048 503465824 /nfs/dbraw/zinc/46/58/24/503465824.db2.gz UAMLFGNCXKWVIO-IEBWSBKVSA-N 2 1 372.557 3.432 20 0 FGADMP C[C@H]([NH2+]C1(CNC(=O)N2CC[N@@H+](C)CC[C@H]2C)CCCC1)c1ccccc1 ZINC000503741727 503467563 /nfs/dbraw/zinc/46/75/63/503467563.db2.gz XURVCIDJSWBMDK-MOPGFXCFSA-N 2 1 372.557 3.386 20 0 FGADMP Cc1[nH]c2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2c1C ZINC000516207866 503470590 /nfs/dbraw/zinc/47/05/90/503470590.db2.gz VPOCXYHIWRNDOL-UHFFFAOYSA-N 2 1 363.465 3.184 20 0 FGADMP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494068574 503483165 /nfs/dbraw/zinc/48/31/65/503483165.db2.gz IPQMOTRXIDFPPZ-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000516307335 503491473 /nfs/dbraw/zinc/49/14/73/503491473.db2.gz FFDMNPSEGLQBFI-UHFFFAOYSA-N 2 1 365.521 3.405 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2ccc3ccccc3c2)C2CC2)CC1 ZINC000516307335 503491479 /nfs/dbraw/zinc/49/14/79/503491479.db2.gz FFDMNPSEGLQBFI-UHFFFAOYSA-N 2 1 365.521 3.405 20 0 FGADMP C[C@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512247387 503497661 /nfs/dbraw/zinc/49/76/61/503497661.db2.gz YPKBKVVUYOMAFX-LPHOPBHVSA-N 2 1 365.477 3.132 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1)CC1CC1 ZINC000516518152 503526235 /nfs/dbraw/zinc/52/62/35/503526235.db2.gz AXIUPBLGVWGSJH-HXUWFJFHSA-N 2 1 372.557 3.115 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1)CC1CC1 ZINC000516518152 503526239 /nfs/dbraw/zinc/52/62/39/503526239.db2.gz AXIUPBLGVWGSJH-HXUWFJFHSA-N 2 1 372.557 3.115 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)([NH+](C)C)C1 ZINC000516560948 503536805 /nfs/dbraw/zinc/53/68/05/503536805.db2.gz XDAAPYOWTUDXJM-WSTZPKSXSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562182 503537334 /nfs/dbraw/zinc/53/73/34/503537334.db2.gz DCVVQSCPJKSAEY-CRGYJSLOSA-N 3 1 368.569 3.035 20 0 FGADMP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562182 503537337 /nfs/dbraw/zinc/53/73/37/503537337.db2.gz DCVVQSCPJKSAEY-CRGYJSLOSA-N 3 1 368.569 3.035 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000516570903 503539833 /nfs/dbraw/zinc/53/98/33/503539833.db2.gz JJQPWIZTFJUQIT-JWOSDPRPSA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000516570903 503539834 /nfs/dbraw/zinc/53/98/34/503539834.db2.gz JJQPWIZTFJUQIT-JWOSDPRPSA-N 2 1 351.494 3.076 20 0 FGADMP CC(C)C[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000508702258 503546778 /nfs/dbraw/zinc/54/67/78/503546778.db2.gz VZWYJLQFLBFPFO-AKIFATBCSA-N 2 1 373.585 3.234 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000508854045 503578276 /nfs/dbraw/zinc/57/82/76/503578276.db2.gz SCDYSAPDKYMMSG-QUCCMNQESA-N 2 1 360.546 3.112 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000508860516 503580727 /nfs/dbraw/zinc/58/07/27/503580727.db2.gz DUUMWUSJTQLMRE-YLJYHZDGSA-N 2 1 371.529 3.223 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000516839834 503597580 /nfs/dbraw/zinc/59/75/80/503597580.db2.gz KIKNGEARDVMJNX-LJQANCHMSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000512656360 503604860 /nfs/dbraw/zinc/60/48/60/503604860.db2.gz ZJHDMVVIYSPAMQ-RMVQUMDPSA-N 2 1 372.553 3.129 20 0 FGADMP COc1c(C)cc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1C ZINC000512667570 503608473 /nfs/dbraw/zinc/60/84/73/503608473.db2.gz DTOLHNKSRYBUBS-PMACEKPBSA-N 2 1 359.558 3.302 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@@H]21 ZINC000516971509 503634194 /nfs/dbraw/zinc/63/41/94/503634194.db2.gz ZQPMDZSUNPKOFS-BMQTXXJKSA-N 2 1 369.534 3.013 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@@H](c3cccs3)c3ccccc3)C[C@@H]21 ZINC000516971509 503634197 /nfs/dbraw/zinc/63/41/97/503634197.db2.gz ZQPMDZSUNPKOFS-BMQTXXJKSA-N 2 1 369.534 3.013 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCC(C)(C)C2)[NH+]2CCCCC2)cc1 ZINC000532983314 503686607 /nfs/dbraw/zinc/68/66/07/503686607.db2.gz DQBJQHZACSHFHY-FQEVSTJZSA-N 2 1 373.541 3.070 20 0 FGADMP CC[C@H]1CC[C@@H](C)[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000536742780 503707915 /nfs/dbraw/zinc/70/79/15/503707915.db2.gz ZOBNGNJRFSSLLX-APWZRJJASA-N 2 1 361.555 3.437 20 0 FGADMP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000543288210 503711748 /nfs/dbraw/zinc/71/17/48/503711748.db2.gz IDKZYUDRTBEOCF-JOCHJYFZSA-N 2 1 365.521 3.485 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000533084781 503726144 /nfs/dbraw/zinc/72/61/44/503726144.db2.gz HCFXJSHDQWUBOL-IUPXNIOVSA-N 2 1 351.922 3.179 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3cnc(C4CC4)nc3)CC2)cc1 ZINC000536824429 503732473 /nfs/dbraw/zinc/73/24/73/503732473.db2.gz BEKYLIWAJJVKIT-UHFFFAOYSA-N 2 1 350.510 3.193 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000536837371 503737031 /nfs/dbraw/zinc/73/70/31/503737031.db2.gz GASFTHGYJLSRTR-MJGOQNOKSA-N 2 1 372.513 3.006 20 0 FGADMP CCn1nccc1C[NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000540325099 503737483 /nfs/dbraw/zinc/73/74/83/503737483.db2.gz WNMFUXKPOIIWKM-KDURUIRLSA-N 2 1 370.541 3.202 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000517491452 503756084 /nfs/dbraw/zinc/75/60/84/503756084.db2.gz KZSJSRYBBHTCHW-ROUUACIJSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394218 503757854 /nfs/dbraw/zinc/75/78/54/503757854.db2.gz JMUGMLJJFUJQQX-CEXWTWQISA-N 2 1 370.541 3.280 20 0 FGADMP C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543458985 503779929 /nfs/dbraw/zinc/77/99/29/503779929.db2.gz MOXOAXSVILINGN-IAGOWNOFSA-N 2 1 356.514 3.375 20 0 FGADMP Cc1ncc(C[NH2+]CCc2ccc(OCC[N@@H+]3C[C@H](C)[C@H](C)C3)cc2)cn1 ZINC000537021842 503780315 /nfs/dbraw/zinc/78/03/15/503780315.db2.gz PACOLBALHCVOQU-HDICACEKSA-N 2 1 368.525 3.084 20 0 FGADMP C[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000517693359 503808985 /nfs/dbraw/zinc/80/89/85/503808985.db2.gz PNNRHVCIOIFCHN-XMSQKQJNSA-N 2 1 369.553 3.025 20 0 FGADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc4c(c3)C(=O)NCC4)CC2)C1 ZINC000543599429 503824669 /nfs/dbraw/zinc/82/46/69/503824669.db2.gz TZBFSUCBAOGLEI-OXJNMPFZSA-N 2 1 355.526 3.105 20 0 FGADMP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)sc1C ZINC000533407911 503835112 /nfs/dbraw/zinc/83/51/12/503835112.db2.gz JCRSZTWYLKUJPN-CQSZACIVSA-N 2 1 352.548 3.139 20 0 FGADMP Cc1nc(NC(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)sc1C ZINC000533407911 503835114 /nfs/dbraw/zinc/83/51/14/503835114.db2.gz JCRSZTWYLKUJPN-CQSZACIVSA-N 2 1 352.548 3.139 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193308 503835744 /nfs/dbraw/zinc/83/57/44/503835744.db2.gz BAYHYPRXKDHPPA-AZUAARDMSA-N 2 1 357.542 3.439 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CN[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000537193308 503835747 /nfs/dbraw/zinc/83/57/47/503835747.db2.gz BAYHYPRXKDHPPA-AZUAARDMSA-N 2 1 357.542 3.439 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000543659279 503844102 /nfs/dbraw/zinc/84/41/02/503844102.db2.gz ZKSRRRQYIQXATD-PGRDOPGGSA-N 2 1 365.521 3.247 20 0 FGADMP CCC1(CC)[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)[C@@H](C)[C@H]1OC ZINC000537294834 503871079 /nfs/dbraw/zinc/87/10/79/503871079.db2.gz GXTBCMNEMQKJEU-CDHQVMDDSA-N 2 1 360.546 3.492 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293537 503871729 /nfs/dbraw/zinc/87/17/29/503871729.db2.gz WAKVCMYSRBYSSS-UONOGXRCSA-N 2 1 363.889 3.324 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cc2cc(Cl)ccc2o1 ZINC000537293537 503871730 /nfs/dbraw/zinc/87/17/30/503871730.db2.gz WAKVCMYSRBYSSS-UONOGXRCSA-N 2 1 363.889 3.324 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000527648047 503875456 /nfs/dbraw/zinc/87/54/56/503875456.db2.gz DDMPZBGNCHVMNR-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530217749 503880686 /nfs/dbraw/zinc/88/06/86/503880686.db2.gz HJFMWWAMTJLWIJ-SWLSCSKDSA-N 2 1 355.404 3.297 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527711769 503907709 /nfs/dbraw/zinc/90/77/09/503907709.db2.gz OHHDYRZMKOJWRO-IBGZPJMESA-N 2 1 363.933 3.293 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000527711769 503907713 /nfs/dbraw/zinc/90/77/13/503907713.db2.gz OHHDYRZMKOJWRO-IBGZPJMESA-N 2 1 363.933 3.293 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000518103855 503909831 /nfs/dbraw/zinc/90/98/31/503909831.db2.gz KEMANTDYLSDBMW-ROUUACIJSA-N 2 1 360.546 3.200 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000518205933 503927876 /nfs/dbraw/zinc/92/78/76/503927876.db2.gz SLVJFKOTRWPCPR-IRXDYDNUSA-N 2 1 366.575 3.305 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC(=O)Nc1ccccn1 ZINC000537507065 503936635 /nfs/dbraw/zinc/93/66/35/503936635.db2.gz QCSABYRIEODSIL-UHFFFAOYSA-N 2 1 354.498 3.158 20 0 FGADMP C[C@H]1C[NH+](CCOC2CC[NH+](CCCc3ccsc3)CC2)C[C@H](C)O1 ZINC000543990298 503963468 /nfs/dbraw/zinc/96/34/68/503963468.db2.gz AIZNZOSSDVNEOE-ROUUACIJSA-N 2 1 366.571 3.271 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000533913239 503987862 /nfs/dbraw/zinc/98/78/62/503987862.db2.gz OEDDBIOVDNVPBP-UXHICEINSA-N 2 1 360.546 3.240 20 0 FGADMP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527941412 504008523 /nfs/dbraw/zinc/00/85/23/504008523.db2.gz YVQOBGHOLOQULL-RYQLBKOJSA-N 2 1 366.431 3.487 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCCC[C@H]21 ZINC000541112255 504011814 /nfs/dbraw/zinc/01/18/14/504011814.db2.gz XXQGPLSPYZDHIP-BVYCBKJFSA-N 2 1 369.553 3.409 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000518621567 504029750 /nfs/dbraw/zinc/02/97/50/504029750.db2.gz ZBKCHGASHHLFGP-MRXNPFEDSA-N 2 1 356.432 3.340 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(c2ccccc2C(F)(F)F)CC1)C1CC1 ZINC000518621567 504029754 /nfs/dbraw/zinc/02/97/54/504029754.db2.gz ZBKCHGASHHLFGP-MRXNPFEDSA-N 2 1 356.432 3.340 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000534129143 504049649 /nfs/dbraw/zinc/04/96/49/504049649.db2.gz QFNIIMHCXLLNTF-QKWUAHKBSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000534129143 504049655 /nfs/dbraw/zinc/04/96/55/504049655.db2.gz QFNIIMHCXLLNTF-QKWUAHKBSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129143 504049660 /nfs/dbraw/zinc/04/96/60/504049660.db2.gz QFNIIMHCXLLNTF-QKWUAHKBSA-N 2 1 363.933 3.463 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000534129143 504049664 /nfs/dbraw/zinc/04/96/64/504049664.db2.gz QFNIIMHCXLLNTF-QKWUAHKBSA-N 2 1 363.933 3.463 20 0 FGADMP Cc1ccc2occ(CC(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)c2c1 ZINC000528150936 504093773 /nfs/dbraw/zinc/09/37/73/504093773.db2.gz GRRGJHBUYYYLFD-UHFFFAOYSA-N 2 1 364.449 3.069 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](C)CC)c1cccc(C(F)(F)F)c1 ZINC000530814761 504095321 /nfs/dbraw/zinc/09/53/21/504095321.db2.gz SPGNGQYSGCXSBN-INIZCTEOSA-N 2 1 359.436 3.156 20 0 FGADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+](CC)CC ZINC000530820749 504095746 /nfs/dbraw/zinc/09/57/46/504095746.db2.gz RJOUEXAFPUVXSA-JZXOWHBKSA-N 2 1 351.560 3.368 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccc(OCCO)cc2)cc1 ZINC000537968013 504098772 /nfs/dbraw/zinc/09/87/72/504098772.db2.gz LVXHMJTZCMYTGO-MRXNPFEDSA-N 2 1 351.450 3.403 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccc(F)cc1)c1ccccn1 ZINC000544355486 504101461 /nfs/dbraw/zinc/10/14/61/504101461.db2.gz RYLLTNQPUPRKLI-TZIWHRDSSA-N 2 1 357.473 3.137 20 0 FGADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000544361224 504102368 /nfs/dbraw/zinc/10/23/68/504102368.db2.gz UZOLHRKPAQUPGT-KURKYZTESA-N 2 1 362.514 3.257 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1F ZINC000534329273 504112364 /nfs/dbraw/zinc/11/23/64/504112364.db2.gz VTUUKIPUPBXQMM-UWJYYQICSA-N 2 1 371.500 3.474 20 0 FGADMP COc1ccccc1[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000538098107 504133320 /nfs/dbraw/zinc/13/33/20/504133320.db2.gz AMIBHMKXAGCKQX-WIYYLYMNSA-N 2 1 373.541 3.104 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000528316451 504166248 /nfs/dbraw/zinc/16/62/48/504166248.db2.gz MFOOFUXDZKPBMS-SFHVURJKSA-N 2 1 372.900 3.434 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000528316451 504166252 /nfs/dbraw/zinc/16/62/52/504166252.db2.gz MFOOFUXDZKPBMS-SFHVURJKSA-N 2 1 372.900 3.434 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CC[C@@H](C(F)(F)F)CC2)CC1 ZINC000519223740 504169354 /nfs/dbraw/zinc/16/93/54/504169354.db2.gz RHKLEXFTJSEOJM-FZNQNYSPSA-N 2 1 363.468 3.028 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc2cccnc12 ZINC000541536714 504169687 /nfs/dbraw/zinc/16/96/87/504169687.db2.gz JJTIIAJFUZQRDC-NQIIRXRSSA-N 2 1 352.526 3.001 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000541543183 504170502 /nfs/dbraw/zinc/17/05/02/504170502.db2.gz XGAHSOCZXNKYRZ-GGAORHGYSA-N 2 1 373.585 3.332 20 0 FGADMP CCc1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1 ZINC000541543183 504170507 /nfs/dbraw/zinc/17/05/07/504170507.db2.gz XGAHSOCZXNKYRZ-GGAORHGYSA-N 2 1 373.585 3.332 20 0 FGADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000544605289 504188425 /nfs/dbraw/zinc/18/84/25/504188425.db2.gz JTURZJYRSNXYJB-ROUUACIJSA-N 2 1 374.529 3.108 20 0 FGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103502 504191401 /nfs/dbraw/zinc/19/14/01/504191401.db2.gz HZHZTWVTCDDWMD-FGZHOGPDSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103502 504191402 /nfs/dbraw/zinc/19/14/02/504191402.db2.gz HZHZTWVTCDDWMD-FGZHOGPDSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@H+]2CCC[C@]3(CC[NH+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103502 504191403 /nfs/dbraw/zinc/19/14/03/504191403.db2.gz HZHZTWVTCDDWMD-FGZHOGPDSA-N 2 1 358.526 3.170 20 0 FGADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](CCOC[C@H]4CCCO4)C3)C2)cc1 ZINC000531103502 504191404 /nfs/dbraw/zinc/19/14/04/504191404.db2.gz HZHZTWVTCDDWMD-FGZHOGPDSA-N 2 1 358.526 3.170 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cccnc3C(F)(F)F)CC2)C[C@H](C)O1 ZINC000528369777 504192133 /nfs/dbraw/zinc/19/21/33/504192133.db2.gz VMELNZIBPVSEKY-GJZGRUSLSA-N 2 1 371.447 3.422 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000519382359 504208216 /nfs/dbraw/zinc/20/82/16/504208216.db2.gz XUCHZYVWWFQULJ-IYWMVGAKSA-N 2 1 364.578 3.013 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC000528461028 504234100 /nfs/dbraw/zinc/23/41/00/504234100.db2.gz ZOHZPMPQHBNOSX-HOCLYGCPSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2C(F)(F)F)[C@@H](C)C1 ZINC000528461028 504234109 /nfs/dbraw/zinc/23/41/09/504234109.db2.gz ZOHZPMPQHBNOSX-HOCLYGCPSA-N 2 1 359.436 3.327 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827806 504238739 /nfs/dbraw/zinc/23/87/39/504238739.db2.gz AQWDUFKQCMZLEG-PMOQBDJRSA-N 2 1 352.522 3.338 20 0 FGADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000534798740 504244319 /nfs/dbraw/zinc/24/43/19/504244319.db2.gz VHWITVMWAJJHDD-UWHLTILDSA-N 2 1 358.526 3.243 20 0 FGADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2)c1ccccc1 ZINC000534798740 504244323 /nfs/dbraw/zinc/24/43/23/504244323.db2.gz VHWITVMWAJJHDD-UWHLTILDSA-N 2 1 358.526 3.243 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378473 504285448 /nfs/dbraw/zinc/28/54/48/504285448.db2.gz NZIIFSAFXZCOGL-YZGWKJHDSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378473 504285456 /nfs/dbraw/zinc/28/54/56/504285456.db2.gz NZIIFSAFXZCOGL-YZGWKJHDSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@H]1C ZINC000531378473 504285463 /nfs/dbraw/zinc/28/54/63/504285463.db2.gz NZIIFSAFXZCOGL-YZGWKJHDSA-N 2 1 356.510 3.384 20 0 FGADMP C[C@H](c1cccc2ccccc21)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000519654303 504290206 /nfs/dbraw/zinc/29/02/06/504290206.db2.gz REWFKCXRMZLGSU-IEBWSBKVSA-N 2 1 351.494 3.045 20 0 FGADMP CC[C@H](C)Oc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000531401093 504294956 /nfs/dbraw/zinc/29/49/56/504294956.db2.gz JPOSXUFMZULDBD-INIZCTEOSA-N 2 1 368.481 3.263 20 0 FGADMP CCN(CC)C(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967356 504296141 /nfs/dbraw/zinc/29/61/41/504296141.db2.gz VQNQGRHQQHKOTR-IBGZPJMESA-N 2 1 357.542 3.231 20 0 FGADMP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967357 504296820 /nfs/dbraw/zinc/29/68/20/504296820.db2.gz VQNQGRHQQHKOTR-LJQANCHMSA-N 2 1 357.542 3.231 20 0 FGADMP Brc1ccc2c(c1)C=C(C[NH2+]CCC[NH+]1CCCC1)CO2 ZINC000538611944 504303161 /nfs/dbraw/zinc/30/31/61/504303161.db2.gz OZGCPOODIBORTF-UHFFFAOYSA-N 2 1 351.288 3.300 20 0 FGADMP C(CC[N@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000535011614 504312490 /nfs/dbraw/zinc/31/24/90/504312490.db2.gz DUBVYFKQFANYMU-CIAFKFPVSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000535011614 504312496 /nfs/dbraw/zinc/31/24/96/504312496.db2.gz DUBVYFKQFANYMU-CIAFKFPVSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@H+]1CCC[C@H]([C@@H]2CCOC2)C1)C[NH+]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000535011614 504312502 /nfs/dbraw/zinc/31/25/02/504312502.db2.gz DUBVYFKQFANYMU-CIAFKFPVSA-N 2 1 364.574 3.264 20 0 FGADMP C[C@H]1C[N@@H+](CCCOc2ccc(Cl)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013335 504312647 /nfs/dbraw/zinc/31/26/47/504312647.db2.gz YQKQMLYIASTUEH-PXNSSMCTSA-N 2 1 365.949 3.067 20 0 FGADMP Cc1ccc(/C=C/CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000531478046 504323023 /nfs/dbraw/zinc/32/30/23/504323023.db2.gz MXSHQXKGQSXNSK-ONEGZZNKSA-N 2 1 350.466 3.184 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1F ZINC000519776386 504335106 /nfs/dbraw/zinc/33/51/06/504335106.db2.gz NGVLDGOOVRGVGP-FQEVSTJZSA-N 2 1 369.484 3.026 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000535083757 504339569 /nfs/dbraw/zinc/33/95/69/504339569.db2.gz ZFPJTWLTKVOBGC-RTBURBONSA-N 2 1 352.526 3.225 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528711117 504343326 /nfs/dbraw/zinc/34/33/26/504343326.db2.gz YCKIPRNPQHMMJE-IBGZPJMESA-N 2 1 372.513 3.087 20 0 FGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000519814617 504350178 /nfs/dbraw/zinc/35/01/78/504350178.db2.gz GGVGWDABVCPQST-CQSZACIVSA-N 2 1 372.456 3.169 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000519814617 504350185 /nfs/dbraw/zinc/35/01/85/504350185.db2.gz GGVGWDABVCPQST-CQSZACIVSA-N 2 1 372.456 3.169 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548158936 504352561 /nfs/dbraw/zinc/35/25/61/504352561.db2.gz LWUCJPHSPKVJNI-AJSBUHFISA-N 2 1 352.522 3.480 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)Cc1cn(-c2ccc(F)c(Cl)c2)nn1 ZINC000519845264 504361827 /nfs/dbraw/zinc/36/18/27/504361827.db2.gz UFAIFVPVNULHPF-UHFFFAOYSA-N 2 1 362.840 3.087 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000520093868 504410277 /nfs/dbraw/zinc/41/02/77/504410277.db2.gz FOHGHYPITHCQSR-IEBWSBKVSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000520093868 504410284 /nfs/dbraw/zinc/41/02/84/504410284.db2.gz FOHGHYPITHCQSR-IEBWSBKVSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000520093868 504410290 /nfs/dbraw/zinc/41/02/90/504410290.db2.gz FOHGHYPITHCQSR-IEBWSBKVSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3cccc(F)c3F)CC2)C[C@H](C)O1 ZINC000542276932 504435306 /nfs/dbraw/zinc/43/53/06/504435306.db2.gz DJOWTTPOAPDNMZ-IYBDPMFKSA-N 2 1 352.469 3.329 20 0 FGADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281954 504438576 /nfs/dbraw/zinc/43/85/76/504438576.db2.gz KAUARELIIFYNJE-CVEARBPZSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281954 504438580 /nfs/dbraw/zinc/43/85/80/504438580.db2.gz KAUARELIIFYNJE-CVEARBPZSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281954 504438587 /nfs/dbraw/zinc/43/85/87/504438587.db2.gz KAUARELIIFYNJE-CVEARBPZSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccccc1C(F)(F)F ZINC000542281954 504438591 /nfs/dbraw/zinc/43/85/91/504438591.db2.gz KAUARELIIFYNJE-CVEARBPZSA-N 2 1 374.447 3.251 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(OC)cc3C)CC2)CC1 ZINC000520249374 504446918 /nfs/dbraw/zinc/44/69/18/504446918.db2.gz SSROXEPRLRZQOS-UHFFFAOYSA-N 2 1 359.514 3.138 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(OCCO)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481468 504460310 /nfs/dbraw/zinc/46/03/10/504460310.db2.gz QOSYREVDWKXOMF-RXVVDRJESA-N 2 1 354.494 3.058 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000548482827 504461585 /nfs/dbraw/zinc/46/15/85/504461585.db2.gz GSTJVHNZHAEWDF-DENIHFKCSA-N 2 1 365.521 3.225 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(OCCO)cc1 ZINC000539069944 504463541 /nfs/dbraw/zinc/46/35/41/504463541.db2.gz AXBIKQKOVWSFOG-AVRDEDQJSA-N 2 1 354.494 3.058 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539093314 504470955 /nfs/dbraw/zinc/47/09/55/504470955.db2.gz KXMCIIIYUGQGBZ-RKVPGOIHSA-N 2 1 366.347 3.205 20 0 FGADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932887 504479489 /nfs/dbraw/zinc/47/94/89/504479489.db2.gz STBLPXNJDAJISA-CZUORRHYSA-N 2 1 364.584 3.461 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657666 504497509 /nfs/dbraw/zinc/49/75/09/504497509.db2.gz DFAJHIYXWOEBRG-KZNAEPCWSA-N 2 1 351.922 3.322 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[NH+](CC)CC ZINC000535657666 504497511 /nfs/dbraw/zinc/49/75/11/504497511.db2.gz DFAJHIYXWOEBRG-KZNAEPCWSA-N 2 1 351.922 3.322 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CCc1ccccc1 ZINC000542487446 504510208 /nfs/dbraw/zinc/51/02/08/504510208.db2.gz XZOMGEWZXRFVBO-PTUXOGIPSA-N 2 1 352.522 3.480 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000532212891 504574040 /nfs/dbraw/zinc/57/40/40/504574040.db2.gz LQUMOOFOHKGGDZ-IFMALSPDSA-N 2 1 372.484 3.164 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000532214247 504575358 /nfs/dbraw/zinc/57/53/58/504575358.db2.gz ARPDSLFWYQDBEE-VQTJNVASSA-N 2 1 370.566 3.407 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(CC)CC3)cc2)C12CCC2 ZINC000539499897 504591269 /nfs/dbraw/zinc/59/12/69/504591269.db2.gz MVXWTLMGRCOVLG-VXKWHMMOSA-N 2 1 371.569 3.261 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542747284 504594211 /nfs/dbraw/zinc/59/42/11/504594211.db2.gz ZIPSYKIMASEBOM-ZWKOTPCHSA-N 2 1 366.594 3.259 20 0 FGADMP CN(CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)c1cc[nH+]cc1 ZINC000542786724 504610775 /nfs/dbraw/zinc/61/07/75/504610775.db2.gz PZXOXJYLFLRHLO-OXQOHEQNSA-N 2 1 372.538 3.169 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000520986731 504623134 /nfs/dbraw/zinc/62/31/34/504623134.db2.gz CGCOIAOGCRBUKV-FQEVSTJZSA-N 2 1 364.578 3.205 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000548979998 504643797 /nfs/dbraw/zinc/64/37/97/504643797.db2.gz AMXATXOGCZUMJC-CALCHBBNSA-N 2 1 355.530 3.342 20 0 FGADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000548979998 504643799 /nfs/dbraw/zinc/64/37/99/504643799.db2.gz AMXATXOGCZUMJC-CALCHBBNSA-N 2 1 355.530 3.342 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC(C)(C)OC3(C)C)cc2)CC1 ZINC000532447104 504655540 /nfs/dbraw/zinc/65/55/40/504655540.db2.gz NVNQZUYOEAJSCP-FQEVSTJZSA-N 2 1 359.558 3.260 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000539828161 504706124 /nfs/dbraw/zinc/70/61/24/504706124.db2.gz FESUFLZBFQDOQV-NRFANRHFSA-N 2 1 371.569 3.479 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000539828161 504706127 /nfs/dbraw/zinc/70/61/27/504706127.db2.gz FESUFLZBFQDOQV-NRFANRHFSA-N 2 1 371.569 3.479 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000539828161 504706135 /nfs/dbraw/zinc/70/61/35/504706135.db2.gz FESUFLZBFQDOQV-NRFANRHFSA-N 2 1 371.569 3.479 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851689 504718310 /nfs/dbraw/zinc/71/83/10/504718310.db2.gz YKEWZQMHYDALIO-IBGZPJMESA-N 2 1 352.482 3.433 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851689 504718314 /nfs/dbraw/zinc/71/83/14/504718314.db2.gz YKEWZQMHYDALIO-IBGZPJMESA-N 2 1 352.482 3.433 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851689 504718318 /nfs/dbraw/zinc/71/83/18/504718318.db2.gz YKEWZQMHYDALIO-IBGZPJMESA-N 2 1 352.482 3.433 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000539851689 504718321 /nfs/dbraw/zinc/71/83/21/504718321.db2.gz YKEWZQMHYDALIO-IBGZPJMESA-N 2 1 352.482 3.433 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000549206545 504723770 /nfs/dbraw/zinc/72/37/70/504723770.db2.gz KEOMSXLHOABBHM-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP CN(CC[NH+](C)C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000549206545 504723774 /nfs/dbraw/zinc/72/37/74/504723774.db2.gz KEOMSXLHOABBHM-FQEVSTJZSA-N 2 1 372.557 3.023 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)cc1OC ZINC000529567637 504730467 /nfs/dbraw/zinc/73/04/67/504730467.db2.gz MJYPRMCOVPDXAV-INIZCTEOSA-N 2 1 350.478 3.397 20 0 FGADMP CC[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000532769748 504754882 /nfs/dbraw/zinc/75/48/82/504754882.db2.gz ASNHDFFNHGVXKQ-MOPGFXCFSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2)CC1)CC1CC1 ZINC000540048111 504766000 /nfs/dbraw/zinc/76/60/00/504766000.db2.gz SRDDCHLXCVLDLH-UHFFFAOYSA-N 2 1 371.569 3.479 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562287209 504773254 /nfs/dbraw/zinc/77/32/54/504773254.db2.gz WODMHFZNUNFGCB-APWZRJJASA-N 2 1 368.481 3.109 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562287209 504773257 /nfs/dbraw/zinc/77/32/57/504773257.db2.gz WODMHFZNUNFGCB-APWZRJJASA-N 2 1 368.481 3.109 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051667 504782231 /nfs/dbraw/zinc/78/22/31/504782231.db2.gz OSEDYOYAGNYOHV-ROUUACIJSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051667 504782234 /nfs/dbraw/zinc/78/22/34/504782234.db2.gz OSEDYOYAGNYOHV-ROUUACIJSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOC[C@@H]3CCCO3)C2)s1 ZINC000565051667 504782237 /nfs/dbraw/zinc/78/22/37/504782237.db2.gz OSEDYOYAGNYOHV-ROUUACIJSA-N 2 1 352.544 3.006 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c2ccccc21 ZINC000556076802 504791540 /nfs/dbraw/zinc/79/15/40/504791540.db2.gz RKVKDQYKUCENBD-JKSUJKDBSA-N 2 1 357.473 3.217 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000565162181 504812283 /nfs/dbraw/zinc/81/22/83/504812283.db2.gz JDNQVAADPRNXDM-UHFFFAOYSA-N 2 1 355.461 3.447 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000565162181 504812286 /nfs/dbraw/zinc/81/22/86/504812286.db2.gz JDNQVAADPRNXDM-UHFFFAOYSA-N 2 1 355.461 3.447 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000553043600 504812640 /nfs/dbraw/zinc/81/26/40/504812640.db2.gz XDJVVQXHXDMDQH-HDICACEKSA-N 2 1 359.558 3.277 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(CC(=O)NCC3(c4ccccc4)CCCC3)C2)C1 ZINC000559310852 504827977 /nfs/dbraw/zinc/82/79/77/504827977.db2.gz FHNROFQJIDITHK-JOCHJYFZSA-N 2 1 369.553 3.032 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C)n1-c1ccccc1 ZINC000565331313 504856130 /nfs/dbraw/zinc/85/61/30/504856130.db2.gz GOGGNUZMJZENOC-OAQYLSRUSA-N 2 1 369.557 3.029 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000549750989 504888350 /nfs/dbraw/zinc/88/83/50/504888350.db2.gz PRLICOOXNFHFDP-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000549750989 504888352 /nfs/dbraw/zinc/88/83/52/504888352.db2.gz PRLICOOXNFHFDP-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP C[C@H]1CCCC[NH+]1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000549750989 504888355 /nfs/dbraw/zinc/88/83/55/504888355.db2.gz PRLICOOXNFHFDP-ROUUACIJSA-N 2 1 363.571 3.341 20 0 FGADMP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)[C@H]3C)ccc2n1 ZINC000565445857 504889102 /nfs/dbraw/zinc/88/91/02/504889102.db2.gz TTWGAGCGMAOFTE-LPHOPBHVSA-N 2 1 363.465 3.427 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1)C1CC1 ZINC000553434941 504914267 /nfs/dbraw/zinc/91/42/67/504914267.db2.gz XQMNEBYVDZEOLY-UTKZUKDTSA-N 2 1 355.526 3.370 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000565579518 504928145 /nfs/dbraw/zinc/92/81/45/504928145.db2.gz FNUBQHWYZIDMQR-HXUWFJFHSA-N 2 1 357.542 3.201 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000559789667 504928483 /nfs/dbraw/zinc/92/84/83/504928483.db2.gz QDXRNJHJFCCNGN-RBBKRZOGSA-N 2 1 360.505 3.494 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000559789667 504928484 /nfs/dbraw/zinc/92/84/84/504928484.db2.gz QDXRNJHJFCCNGN-RBBKRZOGSA-N 2 1 360.505 3.494 20 0 FGADMP CO[C@@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000565717049 504967662 /nfs/dbraw/zinc/96/76/62/504967662.db2.gz RFJMBHBGPSXZMS-HUUCEWRRSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000565717049 504967665 /nfs/dbraw/zinc/96/76/65/504967665.db2.gz RFJMBHBGPSXZMS-HUUCEWRRSA-N 2 1 360.420 3.303 20 0 FGADMP Cc1[nH+]ccc(N2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)c1Cl ZINC000553678551 504980642 /nfs/dbraw/zinc/98/06/42/504980642.db2.gz GGFGILIWAURWRT-LJQANCHMSA-N 2 1 370.928 3.440 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1-n1ccnn1 ZINC000556877593 505003421 /nfs/dbraw/zinc/00/34/21/505003421.db2.gz HNROKGJRKKYUAU-QUCCMNQESA-N 2 1 361.493 3.440 20 0 FGADMP C[C@H](CNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCCC[C@@H]1C ZINC000553770718 505004953 /nfs/dbraw/zinc/00/49/53/505004953.db2.gz WBAPEGYHLCWJNO-ZWKOTPCHSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@@H+]1CCCC[C@@H]1C ZINC000553770718 505004955 /nfs/dbraw/zinc/00/49/55/505004955.db2.gz WBAPEGYHLCWJNO-ZWKOTPCHSA-N 2 1 364.534 3.006 20 0 FGADMP C[C@H](CNC(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@H+]1CCCC[C@@H]1C ZINC000553770718 505004957 /nfs/dbraw/zinc/00/49/57/505004957.db2.gz WBAPEGYHLCWJNO-ZWKOTPCHSA-N 2 1 364.534 3.006 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000556933025 505022439 /nfs/dbraw/zinc/02/24/39/505022439.db2.gz GSUQNMGPBBLSBR-QFIPXVFZSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000556933025 505022443 /nfs/dbraw/zinc/02/24/43/505022443.db2.gz GSUQNMGPBBLSBR-QFIPXVFZSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933025 505022446 /nfs/dbraw/zinc/02/24/46/505022446.db2.gz GSUQNMGPBBLSBR-QFIPXVFZSA-N 2 1 352.526 3.466 20 0 FGADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000556933025 505022453 /nfs/dbraw/zinc/02/24/53/505022453.db2.gz GSUQNMGPBBLSBR-QFIPXVFZSA-N 2 1 352.526 3.466 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccco1)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000563240137 505085783 /nfs/dbraw/zinc/08/57/83/505085783.db2.gz BTBVBHRHQGJJKI-UHFFFAOYSA-N 2 1 369.509 3.470 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000566131807 505092107 /nfs/dbraw/zinc/09/21/07/505092107.db2.gz PPZIIDRTAMFNFW-YZVOILCLSA-N 2 1 352.906 3.019 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128615 505100050 /nfs/dbraw/zinc/10/00/50/505100050.db2.gz OYHXXIJSBCIVBQ-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128615 505100054 /nfs/dbraw/zinc/10/00/54/505100054.db2.gz OYHXXIJSBCIVBQ-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1C[C@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128615 505100058 /nfs/dbraw/zinc/10/00/58/505100058.db2.gz OYHXXIJSBCIVBQ-YUVXSKOASA-N 2 1 369.553 3.230 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339139 505113000 /nfs/dbraw/zinc/11/30/00/505113000.db2.gz LHFDQNMQLTXHOM-HSZRJFAPSA-N 2 1 369.553 3.377 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339139 505113005 /nfs/dbraw/zinc/11/30/05/505113005.db2.gz LHFDQNMQLTXHOM-HSZRJFAPSA-N 2 1 369.553 3.377 20 0 FGADMP O=C(CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)N1CCCCC1 ZINC000563339139 505113007 /nfs/dbraw/zinc/11/30/07/505113007.db2.gz LHFDQNMQLTXHOM-HSZRJFAPSA-N 2 1 369.553 3.377 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528247 505115817 /nfs/dbraw/zinc/11/58/17/505115817.db2.gz OGWGOBDBGJONRX-MBDNFAEBSA-N 2 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528247 505115818 /nfs/dbraw/zinc/11/58/18/505115818.db2.gz OGWGOBDBGJONRX-MBDNFAEBSA-N 3 1 359.558 3.158 20 0 FGADMP COCC[NH+](C)CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000560528247 505115819 /nfs/dbraw/zinc/11/58/19/505115819.db2.gz OGWGOBDBGJONRX-MBDNFAEBSA-N 3 1 359.558 3.158 20 0 FGADMP FC(F)Cn1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000560533575 505117101 /nfs/dbraw/zinc/11/71/01/505117101.db2.gz QQQHLJSBYNUBDZ-MOPGFXCFSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533575 505117105 /nfs/dbraw/zinc/11/71/05/505117105.db2.gz QQQHLJSBYNUBDZ-MOPGFXCFSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533575 505117111 /nfs/dbraw/zinc/11/71/11/505117111.db2.gz QQQHLJSBYNUBDZ-MOPGFXCFSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533575 505117115 /nfs/dbraw/zinc/11/71/15/505117115.db2.gz QQQHLJSBYNUBDZ-MOPGFXCFSA-N 2 1 360.452 3.102 20 0 FGADMP FC(F)Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000560533575 505117119 /nfs/dbraw/zinc/11/71/19/505117119.db2.gz QQQHLJSBYNUBDZ-MOPGFXCFSA-N 2 1 360.452 3.102 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000560543233 505121120 /nfs/dbraw/zinc/12/11/20/505121120.db2.gz BGQTXQHKKUAKEA-WZPWBUNQSA-N 2 1 365.880 3.047 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000560543233 505121122 /nfs/dbraw/zinc/12/11/22/505121122.db2.gz BGQTXQHKKUAKEA-WZPWBUNQSA-N 2 1 365.880 3.047 20 0 FGADMP COCC[N@H+]1CC[C@@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000566247302 505122436 /nfs/dbraw/zinc/12/24/36/505122436.db2.gz LTABHDNWSCQATM-LJQANCHMSA-N 2 1 363.571 3.397 20 0 FGADMP COCC[N@H+]1CC[C@H](Nc2ccc(SCC[NH+]3CCCCC3)cc2)C1 ZINC000566247301 505122648 /nfs/dbraw/zinc/12/26/48/505122648.db2.gz LTABHDNWSCQATM-IBGZPJMESA-N 2 1 363.571 3.397 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)c1cn2ccccc2n1 ZINC000563416027 505136775 /nfs/dbraw/zinc/13/67/75/505136775.db2.gz FLOJQUDPBHJNRR-PXNSSMCTSA-N 2 1 364.493 3.142 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cn2ccccc2n1 ZINC000563416027 505136779 /nfs/dbraw/zinc/13/67/79/505136779.db2.gz FLOJQUDPBHJNRR-PXNSSMCTSA-N 2 1 364.493 3.142 20 0 FGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000566351092 505150592 /nfs/dbraw/zinc/15/05/92/505150592.db2.gz JWHUXKMHPSKUCZ-JOCHJYFZSA-N 2 1 364.468 3.426 20 0 FGADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000566351092 505150597 /nfs/dbraw/zinc/15/05/97/505150597.db2.gz JWHUXKMHPSKUCZ-JOCHJYFZSA-N 2 1 364.468 3.426 20 0 FGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cc1 ZINC000563936790 505281402 /nfs/dbraw/zinc/28/14/02/505281402.db2.gz LHJCRDSUQARYOA-BDTNDASRSA-N 2 1 363.505 3.318 20 0 FGADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000558022274 505287852 /nfs/dbraw/zinc/28/78/52/505287852.db2.gz FEHMUCFASXRIJL-YZGWKJHDSA-N 2 1 362.562 3.052 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000554882171 505289247 /nfs/dbraw/zinc/28/92/47/505289247.db2.gz HPFOGKMJTSDKMM-INIZCTEOSA-N 2 1 364.534 3.283 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@H](C)O1 ZINC000564129575 505333139 /nfs/dbraw/zinc/33/31/39/505333139.db2.gz LKJJXVUEFOZMJG-HDICACEKSA-N 2 1 371.525 3.258 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](Cc3cccc4cc[nH]c43)CC2)C[C@H](C)O1 ZINC000564129575 505333142 /nfs/dbraw/zinc/33/31/42/505333142.db2.gz LKJJXVUEFOZMJG-HDICACEKSA-N 2 1 371.525 3.258 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000551985350 505362784 /nfs/dbraw/zinc/36/27/84/505362784.db2.gz WOPKXJCAXBWZHD-KXBFYZLASA-N 2 1 365.905 3.306 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000551985350 505362788 /nfs/dbraw/zinc/36/27/88/505362788.db2.gz WOPKXJCAXBWZHD-KXBFYZLASA-N 2 1 365.905 3.306 20 0 FGADMP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000555213824 505381057 /nfs/dbraw/zinc/38/10/57/505381057.db2.gz CAACIAMSRVPZFK-HXUWFJFHSA-N 2 1 374.573 3.269 20 0 FGADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552047640 505381355 /nfs/dbraw/zinc/38/13/55/505381355.db2.gz TWXVVTVUEWKMHB-AYZHRIAMSA-N 2 1 362.583 3.379 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@@H]2CCC[C@H]21 ZINC000552056613 505384023 /nfs/dbraw/zinc/38/40/23/505384023.db2.gz LIQSDOIZLAEEET-BIRZXAFVSA-N 2 1 360.517 3.362 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc21 ZINC000555233731 505386341 /nfs/dbraw/zinc/38/63/41/505386341.db2.gz FJWLWMPBTRPNLH-IOMROCGXSA-N 2 1 374.525 3.259 20 0 FGADMP CNC(=O)C[C@@H](C)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000555233284 505386468 /nfs/dbraw/zinc/38/64/68/505386468.db2.gz UFNHQKYIRRECKN-IZCLWAAWSA-N 2 1 363.933 3.368 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@@H]21 ZINC000552063730 505387159 /nfs/dbraw/zinc/38/71/59/505387159.db2.gz KMYHRXXUTPZXLN-QEXNXIHPSA-N 2 1 359.480 3.254 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@@H]21 ZINC000552063730 505387161 /nfs/dbraw/zinc/38/71/61/505387161.db2.gz KMYHRXXUTPZXLN-QEXNXIHPSA-N 2 1 359.480 3.254 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]2CCC[C@@H]21 ZINC000552063730 505387163 /nfs/dbraw/zinc/38/71/63/505387163.db2.gz KMYHRXXUTPZXLN-QEXNXIHPSA-N 2 1 359.480 3.254 20 0 FGADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCn2ccc3cc(Cl)ccc32)CC1 ZINC000558457072 505394955 /nfs/dbraw/zinc/39/49/55/505394955.db2.gz DZXGQBGRNXJLQR-INIZCTEOSA-N 2 1 363.933 3.319 20 0 FGADMP Cc1ccccc1C1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000561714038 505415944 /nfs/dbraw/zinc/41/59/44/505415944.db2.gz AIRGOCGWPPTSCF-YDPRHXJPSA-N 2 1 350.506 3.468 20 0 FGADMP Cc1ccccc1C1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000561714038 505415946 /nfs/dbraw/zinc/41/59/46/505415946.db2.gz AIRGOCGWPPTSCF-YDPRHXJPSA-N 2 1 350.506 3.468 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444857 505421339 /nfs/dbraw/zinc/42/13/39/505421339.db2.gz XIEVTTFRLJULEV-GOEBONIOSA-N 2 1 372.340 3.007 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)C1CC1 ZINC000564444861 505421783 /nfs/dbraw/zinc/42/17/83/505421783.db2.gz XIEVTTFRLJULEV-ZBFHGGJFSA-N 2 1 372.340 3.007 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1cccc2c1OC(C)(C)C2 ZINC000561752408 505426727 /nfs/dbraw/zinc/42/67/27/505426727.db2.gz HTGAEZVCDGOVJR-UHFFFAOYSA-N 2 1 355.482 3.025 20 0 FGADMP COCC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000552245005 505440066 /nfs/dbraw/zinc/44/00/66/505440066.db2.gz QBDLODSKGPQEED-YSFYHYPLSA-N 2 1 360.542 3.054 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000561953250 505477138 /nfs/dbraw/zinc/47/71/38/505477138.db2.gz NHJNDDCAMNWKJA-WERVVEIQSA-N 2 1 357.542 3.276 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546559 505494620 /nfs/dbraw/zinc/49/46/20/505494620.db2.gz VJWQICRNKUCMBX-MJGOQNOKSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546559 505494625 /nfs/dbraw/zinc/49/46/25/505494625.db2.gz VJWQICRNKUCMBX-MJGOQNOKSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546559 505494630 /nfs/dbraw/zinc/49/46/30/505494630.db2.gz VJWQICRNKUCMBX-MJGOQNOKSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCCN(C(C)C)C3=O)C2)s1 ZINC000567546559 505494635 /nfs/dbraw/zinc/49/46/35/505494635.db2.gz VJWQICRNKUCMBX-MJGOQNOKSA-N 2 1 363.571 3.210 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)CCCC2)CC1 ZINC000562040309 505498781 /nfs/dbraw/zinc/49/87/81/505498781.db2.gz ZBQGHISZNVLIAM-GOEBONIOSA-N 2 1 364.452 3.110 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cncc(Cl)c3C)CC2)CC1 ZINC000567626269 505518709 /nfs/dbraw/zinc/51/87/09/505518709.db2.gz IRELSZNPNSVDLB-UHFFFAOYSA-N 2 1 364.921 3.178 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642375 505522918 /nfs/dbraw/zinc/52/29/18/505522918.db2.gz QPJUXBVJCADJQV-URZJWIJPSA-N 2 1 351.494 3.142 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642375 505522924 /nfs/dbraw/zinc/52/29/24/505522924.db2.gz QPJUXBVJCADJQV-URZJWIJPSA-N 2 1 351.494 3.142 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000567651024 505525442 /nfs/dbraw/zinc/52/54/42/505525442.db2.gz CRUKSKXFJWGOSN-UHFFFAOYSA-N 2 1 369.557 3.065 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2ccc(C(C)(C)C)cc2)C1 ZINC000567693554 505538904 /nfs/dbraw/zinc/53/89/04/505538904.db2.gz WONVHDXRPYOBGN-QGZVFWFLSA-N 2 1 366.571 3.079 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567715188 505546786 /nfs/dbraw/zinc/54/67/86/505546786.db2.gz SOJSINBPCKIKBK-BJLQDIEVSA-N 2 1 372.557 3.056 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000562241332 505549651 /nfs/dbraw/zinc/54/96/51/505549651.db2.gz OZRZYPQPIXBAQS-ICSRJNTNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000562241332 505549652 /nfs/dbraw/zinc/54/96/52/505549652.db2.gz OZRZYPQPIXBAQS-ICSRJNTNSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000562241332 505549653 /nfs/dbraw/zinc/54/96/53/505549653.db2.gz OZRZYPQPIXBAQS-ICSRJNTNSA-N 2 1 357.542 3.150 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000552817735 505559615 /nfs/dbraw/zinc/55/96/15/505559615.db2.gz YSKCPRHPRZBPOA-HXUWFJFHSA-N 2 1 361.530 3.069 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1 ZINC000567790152 505563317 /nfs/dbraw/zinc/56/33/17/505563317.db2.gz QEEZJJOTWQOQGK-CSEOROSGSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790152 505563320 /nfs/dbraw/zinc/56/33/20/505563320.db2.gz QEEZJJOTWQOQGK-CSEOROSGSA-N 2 1 364.574 3.405 20 0 FGADMP C[C@H](C[NH+]1CCC[C@H]1[C@@H]1CCCOC1)C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1 ZINC000567790152 505563321 /nfs/dbraw/zinc/56/33/21/505563321.db2.gz QEEZJJOTWQOQGK-CSEOROSGSA-N 2 1 364.574 3.405 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813922 505565159 /nfs/dbraw/zinc/56/51/59/505565159.db2.gz UBBLCZIZDSFZOE-ZVDOUQERSA-N 2 1 373.516 3.028 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000567813922 505565160 /nfs/dbraw/zinc/56/51/60/505565160.db2.gz UBBLCZIZDSFZOE-ZVDOUQERSA-N 2 1 373.516 3.028 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)[C@@H]3CCCC[NH+]3C)cc2)C1 ZINC000599312391 506406583 /nfs/dbraw/zinc/40/65/83/506406583.db2.gz JIHFDNXNGTXPOX-UEXGIBASSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cc2)C1 ZINC000599312391 506406587 /nfs/dbraw/zinc/40/65/87/506406587.db2.gz JIHFDNXNGTXPOX-UEXGIBASSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCCC[N@H+]3C)cc2)C1 ZINC000599312391 506406591 /nfs/dbraw/zinc/40/65/91/506406591.db2.gz JIHFDNXNGTXPOX-UEXGIBASSA-N 2 1 357.542 3.265 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H]1CCC[NH2+]C1 ZINC000582774532 506413355 /nfs/dbraw/zinc/41/33/55/506413355.db2.gz OZVCTWYBVUYQJA-LQWHRVPQSA-N 2 1 372.557 3.106 20 0 FGADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c(C)c1 ZINC000582790900 506421718 /nfs/dbraw/zinc/42/17/18/506421718.db2.gz KJCBUCJHAZVUAY-UHFFFAOYSA-N 2 1 351.494 3.328 20 0 FGADMP Cc1cc(C)c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c(C)c1 ZINC000582790900 506421720 /nfs/dbraw/zinc/42/17/20/506421720.db2.gz KJCBUCJHAZVUAY-UHFFFAOYSA-N 2 1 351.494 3.328 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165577 506448697 /nfs/dbraw/zinc/44/86/97/506448697.db2.gz RPSVLQUXZLDYIK-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165577 506448706 /nfs/dbraw/zinc/44/87/06/506448706.db2.gz RPSVLQUXZLDYIK-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165577 506448710 /nfs/dbraw/zinc/44/87/10/506448710.db2.gz RPSVLQUXZLDYIK-YADHBBJMSA-N 2 1 365.521 3.412 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000612186621 506477502 /nfs/dbraw/zinc/47/75/02/506477502.db2.gz FCOBCGPPKDDSCD-UHFFFAOYSA-N 2 1 372.557 3.088 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000589197651 506479266 /nfs/dbraw/zinc/47/92/66/506479266.db2.gz HYBQNCSIWOKXNA-MRXNPFEDSA-N 2 1 350.890 3.290 20 0 FGADMP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000582972058 506516791 /nfs/dbraw/zinc/51/67/91/506516791.db2.gz CEQGPLHYQQVOGQ-LAUBAEHRSA-N 2 1 351.494 3.270 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H]3CCCC(F)(F)C3)CC2)CC1 ZINC000583033592 506553036 /nfs/dbraw/zinc/55/30/36/506553036.db2.gz JNYRKKYXVGKBJH-INIZCTEOSA-N 2 1 371.516 3.124 20 0 FGADMP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510643 506595210 /nfs/dbraw/zinc/59/52/10/506595210.db2.gz KBGDTSQACCYHDL-UXHICEINSA-N 2 1 352.478 3.280 20 0 FGADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510643 506595212 /nfs/dbraw/zinc/59/52/12/506595212.db2.gz KBGDTSQACCYHDL-UXHICEINSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510643 506595213 /nfs/dbraw/zinc/59/52/13/506595213.db2.gz KBGDTSQACCYHDL-UXHICEINSA-N 2 1 352.478 3.280 20 0 FGADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1COc2ccccc2O1 ZINC000608510643 506595215 /nfs/dbraw/zinc/59/52/15/506595215.db2.gz KBGDTSQACCYHDL-UXHICEINSA-N 2 1 352.478 3.280 20 0 FGADMP CC[NH+](Cc1ccccc1C[N@@H+](CC)C[C@H]1CCOC1)C[C@H]1CCOC1 ZINC000604053815 506700595 /nfs/dbraw/zinc/70/05/95/506700595.db2.gz UKPIKLSCTYOQQL-WOJBJXKFSA-N 2 1 360.542 3.403 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4scnc4C)cc3)C2)CC1 ZINC000597003865 506726306 /nfs/dbraw/zinc/72/63/06/506726306.db2.gz UBABFLYVDNDEAZ-FQEVSTJZSA-N 2 1 370.566 3.330 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000604185207 506740538 /nfs/dbraw/zinc/74/05/38/506740538.db2.gz QUCPVRYPPIFTJE-HXUWFJFHSA-N 2 1 370.541 3.099 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092927 506772915 /nfs/dbraw/zinc/77/29/15/506772915.db2.gz SGXDGJYPJCYSOD-MOPGFXCFSA-N 2 1 359.558 3.176 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3cccc(F)c3)C2=O)CC1 ZINC000604384547 506810192 /nfs/dbraw/zinc/81/01/92/506810192.db2.gz WAVXYRNTUPTCJF-HXUWFJFHSA-N 2 1 361.505 3.373 20 0 FGADMP COC(=O)c1cccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000583544858 506838129 /nfs/dbraw/zinc/83/81/29/506838129.db2.gz HLFZJOADRVLIOG-UHFFFAOYSA-N 2 1 368.481 3.002 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cccc(Cl)c2)CC1 ZINC000590787207 506958226 /nfs/dbraw/zinc/95/82/26/506958226.db2.gz UUXVSKRZDFEDNI-UHFFFAOYSA-N 2 1 351.922 3.008 20 0 FGADMP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961965 507071951 /nfs/dbraw/zinc/07/19/51/507071951.db2.gz YSPQYWFNGGBDIB-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000583961965 507071956 /nfs/dbraw/zinc/07/19/56/507071956.db2.gz YSPQYWFNGGBDIB-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000583961965 507071961 /nfs/dbraw/zinc/07/19/61/507071961.db2.gz YSPQYWFNGGBDIB-NQIIRXRSSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000591096978 507112918 /nfs/dbraw/zinc/11/29/18/507112918.db2.gz PCSJLSVEWVHIFT-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000591096978 507112921 /nfs/dbraw/zinc/11/29/21/507112921.db2.gz PCSJLSVEWVHIFT-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000591096978 507112930 /nfs/dbraw/zinc/11/29/30/507112930.db2.gz PCSJLSVEWVHIFT-WIYYLYMNSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000584042151 507118072 /nfs/dbraw/zinc/11/80/72/507118072.db2.gz DQFPGWFDSKBDRI-LQWHRVPQSA-N 2 1 372.557 3.235 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000594616783 507215844 /nfs/dbraw/zinc/21/58/44/507215844.db2.gz JIIKWUIZBLFCBO-HXUWFJFHSA-N 2 1 374.525 3.329 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000591438018 507249085 /nfs/dbraw/zinc/24/90/85/507249085.db2.gz PEEOOHSQGLYUNB-YLJYHZDGSA-N 2 1 373.541 3.010 20 0 FGADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000591437387 507249381 /nfs/dbraw/zinc/24/93/81/507249381.db2.gz GXQSUIBFUASFED-MAUKXSAKSA-N 2 1 353.466 3.217 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)C1 ZINC000591572871 507297552 /nfs/dbraw/zinc/29/75/52/507297552.db2.gz RCTRWABUPBKSKK-GIVPXCGWSA-N 2 1 370.541 3.092 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000594901605 507309555 /nfs/dbraw/zinc/30/95/55/507309555.db2.gz MNMSLCGCFUSACE-OAQYLSRUSA-N 2 1 370.541 3.321 20 0 FGADMP C[N@@H+]1CCc2[nH]c3ccc(C(=O)NCC(C)(C)C[NH+]4CCCC4)cc3c2C1 ZINC000613949882 507314210 /nfs/dbraw/zinc/31/42/10/507314210.db2.gz MQUJGLWTOZRGDJ-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[N@H+]1CCc2[nH]c3ccc(C(=O)NCC(C)(C)C[NH+]4CCCC4)cc3c2C1 ZINC000613949882 507314214 /nfs/dbraw/zinc/31/42/14/507314214.db2.gz MQUJGLWTOZRGDJ-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594962084 507333657 /nfs/dbraw/zinc/33/36/57/507333657.db2.gz PMVGDPVEVWCMLC-IMWIBFENSA-N 2 1 350.572 3.424 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1 ZINC000594962084 507333664 /nfs/dbraw/zinc/33/36/64/507333664.db2.gz PMVGDPVEVWCMLC-IMWIBFENSA-N 2 1 350.572 3.424 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000601341168 507339241 /nfs/dbraw/zinc/33/92/41/507339241.db2.gz KPJLVBGZPWIEHO-ROUUACIJSA-N 2 1 352.567 3.059 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CCC3(C[NH+](C)C3)C2)c1 ZINC000614038656 507342007 /nfs/dbraw/zinc/34/20/07/507342007.db2.gz XAVRNVMCFMUEIK-UHFFFAOYSA-N 2 1 363.505 3.096 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000614102502 507365990 /nfs/dbraw/zinc/36/59/90/507365990.db2.gz PCGOETVKIXXOCG-WOJBJXKFSA-N 2 1 361.505 3.177 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)[C@H](F)C2)cc1 ZINC000614102502 507365992 /nfs/dbraw/zinc/36/59/92/507365992.db2.gz PCGOETVKIXXOCG-WOJBJXKFSA-N 2 1 361.505 3.177 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000584519580 507390872 /nfs/dbraw/zinc/39/08/72/507390872.db2.gz FPLDCFGTPJYQHM-PCCBWWKXSA-N 2 1 372.557 3.105 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683458 507447508 /nfs/dbraw/zinc/44/75/08/507447508.db2.gz OSSZAYLJSLTCBT-FGTMMUONSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683458 507447515 /nfs/dbraw/zinc/44/75/15/507447515.db2.gz OSSZAYLJSLTCBT-FGTMMUONSA-N 2 1 356.432 3.386 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000606636572 507461491 /nfs/dbraw/zinc/46/14/91/507461491.db2.gz UZRWUFGGIQVICH-HXUWFJFHSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000607088666 507608251 /nfs/dbraw/zinc/60/82/51/507608251.db2.gz NWFSZSFGRIISCT-PMACEKPBSA-N 2 1 357.542 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123800 507620330 /nfs/dbraw/zinc/62/03/30/507620330.db2.gz PARSLYJUILRARC-TYPHKJRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123800 507620336 /nfs/dbraw/zinc/62/03/36/507620336.db2.gz PARSLYJUILRARC-TYPHKJRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123800 507620341 /nfs/dbraw/zinc/62/03/41/507620341.db2.gz PARSLYJUILRARC-TYPHKJRUSA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123796 507621263 /nfs/dbraw/zinc/62/12/63/507621263.db2.gz PARSLYJUILRARC-NRSPTQNISA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123796 507621269 /nfs/dbraw/zinc/62/12/69/507621269.db2.gz PARSLYJUILRARC-NRSPTQNISA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000607123796 507621274 /nfs/dbraw/zinc/62/12/74/507621274.db2.gz PARSLYJUILRARC-NRSPTQNISA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000607231427 507663109 /nfs/dbraw/zinc/66/31/09/507663109.db2.gz RXGLVBMWJRBLCR-VQTJNVASSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614836532 507670118 /nfs/dbraw/zinc/67/01/18/507670118.db2.gz VQHSGBKTGYVAST-HJNYFJLDSA-N 2 1 369.553 3.026 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000614836531 507670257 /nfs/dbraw/zinc/67/02/57/507670257.db2.gz VQHSGBKTGYVAST-FCEUIQTBSA-N 2 1 369.553 3.026 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1cccc(OC)c1 ZINC000607279468 507675863 /nfs/dbraw/zinc/67/58/63/507675863.db2.gz XSGLFYHSSYBGTG-QKLQHJQFSA-N 2 1 361.530 3.067 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2C)C1 ZINC000779054538 724385117 /nfs/dbraw/zinc/38/51/17/724385117.db2.gz PZIOUIUIJNMXGZ-KURKYZTESA-N 2 1 353.551 3.342 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000089139065 700382652 /nfs/dbraw/zinc/38/26/52/700382652.db2.gz WKBWAAXQPSCWNA-GOSISDBHSA-N 2 1 353.551 3.345 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(Cl)cccc2N2CCCC2)CC1 ZINC000092389656 700435435 /nfs/dbraw/zinc/43/54/35/700435435.db2.gz BUGLUFZAGRFUEQ-UHFFFAOYSA-N 2 1 364.965 3.057 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H](O)c2ccccc2Cl)CC1 ZINC000122169565 700685516 /nfs/dbraw/zinc/68/55/16/700685516.db2.gz PPLARWTXNPMCFK-FQEVSTJZSA-N 2 1 368.949 3.444 20 0 FGADMP COCCn1c(C)c(C)n(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1=S ZINC000151822758 704939313 /nfs/dbraw/zinc/93/93/13/704939313.db2.gz FAVYXQLWUQUXIQ-UHFFFAOYSA-N 2 1 366.575 3.048 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000178005355 705650470 /nfs/dbraw/zinc/65/04/70/705650470.db2.gz IWEQLANQWVMBNK-GOSISDBHSA-N 2 1 351.535 3.370 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1 ZINC000181455370 705794851 /nfs/dbraw/zinc/79/48/51/705794851.db2.gz SHILCRAYXFODQL-UHFFFAOYSA-N 2 1 355.548 3.252 20 0 FGADMP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)CC1 ZINC000192670499 712870157 /nfs/dbraw/zinc/87/01/57/712870157.db2.gz JUWDTROXFXYUMO-STQMWFEESA-N 2 1 360.329 3.376 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192832770 712874849 /nfs/dbraw/zinc/87/48/49/712874849.db2.gz OHWDCCVXVYKLMK-CYBMUJFWSA-N 2 1 360.329 3.377 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192832770 712874851 /nfs/dbraw/zinc/87/48/51/712874851.db2.gz OHWDCCVXVYKLMK-CYBMUJFWSA-N 2 1 360.329 3.377 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCC)C1 ZINC000236784652 713583575 /nfs/dbraw/zinc/58/35/75/713583575.db2.gz GVQSYCFLQKJCTG-HNNXBMFYSA-N 2 1 365.315 3.283 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](CCC)C1 ZINC000236784652 713583578 /nfs/dbraw/zinc/58/35/78/713583578.db2.gz GVQSYCFLQKJCTG-HNNXBMFYSA-N 2 1 365.315 3.283 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1cccc(Cl)c1 ZINC000261955063 713716405 /nfs/dbraw/zinc/71/64/05/713716405.db2.gz OOKQXYYAKMGISX-GPMSIDNRSA-N 2 1 363.933 3.024 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000310591321 713799727 /nfs/dbraw/zinc/79/97/27/713799727.db2.gz GHIFSHHEEWGIGZ-TVFCKZIOSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322908282 713813805 /nfs/dbraw/zinc/81/38/05/713813805.db2.gz IUNCTQRURVMFTJ-VGUREELVSA-N 2 1 351.535 3.379 20 0 FGADMP Cc1csc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000374541361 713929474 /nfs/dbraw/zinc/92/94/74/713929474.db2.gz MOOVGJSRKNCYCM-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP Cc1csc(C[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)n1 ZINC000374541361 713929475 /nfs/dbraw/zinc/92/94/75/713929475.db2.gz MOOVGJSRKNCYCM-UHFFFAOYSA-N 2 1 350.576 3.080 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534057166 714428443 /nfs/dbraw/zinc/42/84/43/714428443.db2.gz WMLJGGFNJZRYTO-WBAXXEDZSA-N 2 1 366.937 3.115 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534057166 714428444 /nfs/dbraw/zinc/42/84/44/714428444.db2.gz WMLJGGFNJZRYTO-WBAXXEDZSA-N 2 1 366.937 3.115 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000617505651 714663303 /nfs/dbraw/zinc/66/33/03/714663303.db2.gz LQJHZRFNHZSQNI-HNNXBMFYSA-N 2 1 353.938 3.006 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000617505651 714663307 /nfs/dbraw/zinc/66/33/07/714663307.db2.gz LQJHZRFNHZSQNI-HNNXBMFYSA-N 2 1 353.938 3.006 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1cccc(Cl)c1 ZINC000620929373 714950669 /nfs/dbraw/zinc/95/06/69/714950669.db2.gz CNIDHVTWHHOZSL-IBGZPJMESA-N 2 1 363.933 3.181 20 0 FGADMP Cc1cc(Br)cc(C[NH2+]CCc2c[nH+]cn2C)c1OC(F)F ZINC000623086551 715162739 /nfs/dbraw/zinc/16/27/39/715162739.db2.gz ZDHWJNBIVAEMSL-UHFFFAOYSA-N 2 1 374.229 3.425 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000643595527 718039060 /nfs/dbraw/zinc/03/90/60/718039060.db2.gz RKNZSVKIDAFVOH-KSZLIROESA-N 2 1 367.896 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000643595527 718039066 /nfs/dbraw/zinc/03/90/66/718039066.db2.gz RKNZSVKIDAFVOH-KSZLIROESA-N 2 1 367.896 3.247 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCOC3CCOCC3)C2)s1 ZINC000625402104 715723088 /nfs/dbraw/zinc/72/30/88/715723088.db2.gz DSDPZKHGIPZSNC-KRWDZBQOSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCOC3CCOCC3)C2)s1 ZINC000625402104 715723092 /nfs/dbraw/zinc/72/30/92/715723092.db2.gz DSDPZKHGIPZSNC-KRWDZBQOSA-N 2 1 352.544 3.006 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCOC3CCOCC3)C2)s1 ZINC000625402104 715723094 /nfs/dbraw/zinc/72/30/94/715723094.db2.gz DSDPZKHGIPZSNC-KRWDZBQOSA-N 2 1 352.544 3.006 20 0 FGADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1F ZINC000629654862 716330316 /nfs/dbraw/zinc/33/03/16/716330316.db2.gz IXWDHXPKIZKCJO-NWANDNLSSA-N 2 1 362.411 3.472 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)c(Cl)c1 ZINC000630025088 716378606 /nfs/dbraw/zinc/37/86/06/716378606.db2.gz KDSMWEMSMYDDHP-MRXNPFEDSA-N 2 1 358.313 3.197 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCSCC3)c2C)CC[N@H+]1C ZINC000630856960 716521061 /nfs/dbraw/zinc/52/10/61/716521061.db2.gz IYOCVHVRWUULPL-PKOBYXMFSA-N 2 1 361.555 3.213 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2([C@H]3CCCCO3)CCC2)[C@H](C)C1 ZINC000631732079 716669898 /nfs/dbraw/zinc/66/98/98/716669898.db2.gz VNABYXDPGZFTEE-HSALFYBXSA-N 2 1 352.563 3.452 20 0 FGADMP CCC1([NH+](C)C)CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000632898107 716838432 /nfs/dbraw/zinc/83/84/32/716838432.db2.gz IFVIVCBFQYSYIN-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953183 717134982 /nfs/dbraw/zinc/13/49/82/717134982.db2.gz UINWAJFXKVKGKQ-PXNSSMCTSA-N 2 1 364.555 3.118 20 0 FGADMP CC[C@H](C)[C@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000638136917 717411632 /nfs/dbraw/zinc/41/16/32/717411632.db2.gz PBAIYZFBOKXXTQ-RXVVDRJESA-N 2 1 353.595 3.176 20 0 FGADMP CC[C@H](C)[C@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136917 717411633 /nfs/dbraw/zinc/41/16/33/717411633.db2.gz PBAIYZFBOKXXTQ-RXVVDRJESA-N 3 1 353.595 3.176 20 0 FGADMP CC[C@H](C)[C@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)OC ZINC000638136917 717411634 /nfs/dbraw/zinc/41/16/34/717411634.db2.gz PBAIYZFBOKXXTQ-RXVVDRJESA-N 3 1 353.595 3.176 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(OC)s3)CC2)cs1 ZINC000638623382 717471211 /nfs/dbraw/zinc/47/12/11/717471211.db2.gz NQWYMWJRDAZEFW-UHFFFAOYSA-N 2 1 366.556 3.172 20 0 FGADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000640037300 717650303 /nfs/dbraw/zinc/65/03/03/717650303.db2.gz WJWIDPXOAWJBHM-KRWDZBQOSA-N 2 1 354.922 3.024 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000640989576 717842164 /nfs/dbraw/zinc/84/21/64/717842164.db2.gz DYQTTWHDTWASPP-LBPRGKRZSA-N 2 1 368.312 3.160 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)CC[N@@H+]1Cc1ccccc1 ZINC000644424112 718110910 /nfs/dbraw/zinc/11/09/10/718110910.db2.gz UKSYHMDVFUFWAX-BGTYHANMSA-N 2 1 356.432 3.475 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@](O)(C(F)(F)F)C2)CC[N@H+]1Cc1ccccc1 ZINC000644424112 718110915 /nfs/dbraw/zinc/11/09/15/718110915.db2.gz UKSYHMDVFUFWAX-BGTYHANMSA-N 2 1 356.432 3.475 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644525380 718119433 /nfs/dbraw/zinc/11/94/33/718119433.db2.gz BTKYQVNSANBJQF-TZMCWYRMSA-N 2 1 372.296 3.164 20 0 FGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543630 718366615 /nfs/dbraw/zinc/36/66/15/718366615.db2.gz QMVCOPMOEIDWRD-HOTGVXAUSA-N 2 1 359.905 3.132 20 0 FGADMP Cc1nc([C@@H](C)[N@H+](C)CCN2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000647836258 718380185 /nfs/dbraw/zinc/38/01/85/718380185.db2.gz YJEHLVJWEYEJTH-OAHLLOKOSA-N 2 1 362.905 3.201 20 0 FGADMP Cc1nc([C@@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000647836258 718380187 /nfs/dbraw/zinc/38/01/87/718380187.db2.gz YJEHLVJWEYEJTH-OAHLLOKOSA-N 2 1 362.905 3.201 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCc1ccccc1Cl ZINC000647975616 718390886 /nfs/dbraw/zinc/39/08/86/718390886.db2.gz CRDKZPAQGMDIOB-AEFFLSMTSA-N 2 1 363.933 3.058 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3Br)C2)C1 ZINC000650708244 718718050 /nfs/dbraw/zinc/71/80/50/718718050.db2.gz WETNRHRJHPKOIR-VMGRFDJRSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cs2)C1 ZINC000650722092 718720197 /nfs/dbraw/zinc/72/01/97/718720197.db2.gz KPAGCEJWMYUJFD-BPLDGKMQSA-N 2 1 359.333 3.371 20 0 FGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723448 718720512 /nfs/dbraw/zinc/72/05/12/718720512.db2.gz NTUWPZYEXQMGPI-OLMNPRSZSA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722661 718720733 /nfs/dbraw/zinc/72/07/33/718720733.db2.gz YTAGWNGZQYVFRJ-XYPHTWIQSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(Br)c2)C1 ZINC000650722661 718720737 /nfs/dbraw/zinc/72/07/37/718720737.db2.gz YTAGWNGZQYVFRJ-XYPHTWIQSA-N 2 1 371.294 3.449 20 0 FGADMP Cc1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000652349616 718935207 /nfs/dbraw/zinc/93/52/07/718935207.db2.gz VNRDPBZXCSDZMV-AVGNSLFASA-N 2 1 363.449 3.189 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000652350379 718935413 /nfs/dbraw/zinc/93/54/13/718935413.db2.gz WHHYDQMLEGPQNF-LBTNJELSSA-N 2 1 356.869 3.076 20 0 FGADMP C(C[NH+]1CCC[C@@H](OC2CCC2)C1)C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812911 719094729 /nfs/dbraw/zinc/09/47/29/719094729.db2.gz TUUNOWLWVDLJQP-NHCUHLMSSA-N 2 1 350.547 3.444 20 0 FGADMP C(C[NH+]1CCC[C@@H](OC2CCC2)C1)C[N@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000653812911 719094733 /nfs/dbraw/zinc/09/47/33/719094733.db2.gz TUUNOWLWVDLJQP-NHCUHLMSSA-N 2 1 350.547 3.444 20 0 FGADMP Clc1cnc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(Cl)c1 ZINC000655733854 719331791 /nfs/dbraw/zinc/33/17/91/719331791.db2.gz SZWNRWMRSVHSFD-OAHLLOKOSA-N 2 1 374.312 3.000 20 0 FGADMP Cc1c(Br)cccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655799662 719341576 /nfs/dbraw/zinc/34/15/76/719341576.db2.gz LQXQUNPMCYKTME-QGZVFWFLSA-N 2 1 367.331 3.491 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(F)c2OC(F)F)C[C@H](C)O1 ZINC000657366832 719634918 /nfs/dbraw/zinc/63/49/18/719634918.db2.gz KSBSNTHBQUSJBM-OKILXGFUSA-N 2 1 360.420 3.406 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21)c1cccc(Cl)c1Cl ZINC000659315835 719895855 /nfs/dbraw/zinc/89/58/55/719895855.db2.gz WDUQJSFBVNPXJR-MJEQTWJJSA-N 2 1 370.324 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)c1cccc(Cl)c1Cl ZINC000659315835 719895857 /nfs/dbraw/zinc/89/58/57/719895857.db2.gz WDUQJSFBVNPXJR-MJEQTWJJSA-N 2 1 370.324 3.197 20 0 FGADMP CC(C)[NH2+]CC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000659314048 719896183 /nfs/dbraw/zinc/89/61/83/719896183.db2.gz HAXGYSFYVNQSRY-UHFFFAOYSA-N 2 1 358.313 3.072 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000659979188 719967191 /nfs/dbraw/zinc/96/71/91/719967191.db2.gz JTBRRDBTGPNWKE-OAHLLOKOSA-N 2 1 360.420 3.360 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000659979188 719967194 /nfs/dbraw/zinc/96/71/94/719967194.db2.gz JTBRRDBTGPNWKE-OAHLLOKOSA-N 2 1 360.420 3.360 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979903 719967282 /nfs/dbraw/zinc/96/72/82/719967282.db2.gz YUJONOCLRYQJQX-LPHOPBHVSA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979903 719967285 /nfs/dbraw/zinc/96/72/85/719967285.db2.gz YUJONOCLRYQJQX-LPHOPBHVSA-N 2 1 359.539 3.153 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000659979903 719967287 /nfs/dbraw/zinc/96/72/87/719967287.db2.gz YUJONOCLRYQJQX-LPHOPBHVSA-N 2 1 359.539 3.153 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1)CC(F)(F)F ZINC000662263840 720406689 /nfs/dbraw/zinc/40/66/89/720406689.db2.gz OYKXZBANEQQJKD-OAHLLOKOSA-N 2 1 355.448 3.038 20 0 FGADMP Cc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662281605 720409408 /nfs/dbraw/zinc/40/94/08/720409408.db2.gz YOSNHMFEGNROKB-RDJZCZTQSA-N 2 1 365.315 3.415 20 0 FGADMP COc1cccc(SCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000662285249 720410082 /nfs/dbraw/zinc/41/00/82/720410082.db2.gz IBRXUXQAGAPKJI-TXPKVOOTSA-N 2 1 350.528 3.006 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccc(Cl)cc1 ZINC000662294210 720411104 /nfs/dbraw/zinc/41/11/04/720411104.db2.gz CBBSOAQLHJLIQN-CRAIPNDOSA-N 2 1 363.933 3.229 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)c(F)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297461 720412004 /nfs/dbraw/zinc/41/20/04/720412004.db2.gz QFKNKRQGGGOXDX-DZGCQCFKSA-N 2 1 351.441 3.003 20 0 FGADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662320867 720414977 /nfs/dbraw/zinc/41/49/77/720414977.db2.gz XFSJWFZYGXFMHF-WMLDXEAASA-N 2 1 356.432 3.479 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662459540 720430924 /nfs/dbraw/zinc/43/09/24/720430924.db2.gz IYUGTOIUWBDYBU-HZPDHXFCSA-N 2 1 361.555 3.120 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000662474428 720432235 /nfs/dbraw/zinc/43/22/35/720432235.db2.gz WYYBFIOABVTVJM-BXWFABGCSA-N 2 1 351.560 3.258 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662486962 720434197 /nfs/dbraw/zinc/43/41/97/720434197.db2.gz ZMXNUTAVKJNTST-MLGOLLRUSA-N 2 1 358.313 3.197 20 0 FGADMP C[NH2+][C@H](C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)c1cccc(Cl)c1Cl ZINC000662516426 720437212 /nfs/dbraw/zinc/43/72/12/720437212.db2.gz BJNQUQWBSIWPMS-GUYCJALGSA-N 2 1 370.324 3.102 20 0 FGADMP CC(C)C[C@H](C[NH3+])CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000662525121 720438439 /nfs/dbraw/zinc/43/84/39/720438439.db2.gz QAEPZBSQKFYEAK-HNNXBMFYSA-N 2 1 352.548 3.469 20 0 FGADMP Cc1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c1 ZINC001164841203 720508951 /nfs/dbraw/zinc/50/89/51/720508951.db2.gz XYCOINLIELVVEQ-HSALFYBXSA-N 2 1 353.514 3.273 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCSCC2)cc1F ZINC000665259996 720747954 /nfs/dbraw/zinc/74/79/54/720747954.db2.gz WJWAGLWJCWUBPY-SKDZVZGDSA-N 2 1 352.519 3.401 20 0 FGADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259565 720748242 /nfs/dbraw/zinc/74/82/42/720748242.db2.gz IXSDHZRRFBQLQL-YCEFEEMOSA-N 2 1 350.478 3.075 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000669937691 721503889 /nfs/dbraw/zinc/50/38/89/721503889.db2.gz OZWNBNXBILAZPZ-GJYPPUQNSA-N 2 1 357.523 3.178 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C(F)(F)F)s2)CC1 ZINC000671666246 721605238 /nfs/dbraw/zinc/60/52/38/721605238.db2.gz VMNUFPIVUFSVOY-UHFFFAOYSA-N 2 1 370.400 3.166 20 0 FGADMP Cc1c[nH+]c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)cc1N ZINC001164908946 721721619 /nfs/dbraw/zinc/72/16/19/721721619.db2.gz ZUNIWZQXVXVYKD-LJQANCHMSA-N 2 1 373.451 3.105 20 0 FGADMP CN(CCC[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1)CC[NH+](C)C ZINC000677225405 721872902 /nfs/dbraw/zinc/87/29/02/721872902.db2.gz FZFKSJDUCFFYPY-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CN(CCC[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1)CC[NH+](C)C ZINC000677225405 721872904 /nfs/dbraw/zinc/87/29/04/721872904.db2.gz FZFKSJDUCFFYPY-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP Cc1nc2sccn2c1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678235230 721945627 /nfs/dbraw/zinc/94/56/27/721945627.db2.gz GCCDSFOVAYEOST-UHFFFAOYSA-N 2 1 358.511 3.277 20 0 FGADMP Cc1nc2sccn2c1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678235230 721945628 /nfs/dbraw/zinc/94/56/28/721945628.db2.gz GCCDSFOVAYEOST-UHFFFAOYSA-N 2 1 358.511 3.277 20 0 FGADMP O=C(Nc1cccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1)c1ccccc1Cl ZINC000678343061 721952956 /nfs/dbraw/zinc/95/29/56/721952956.db2.gz MIHAGZIOGNSLAA-HZPDHXFCSA-N 2 1 355.869 3.244 20 0 FGADMP CN1CC[NH+](CC2CC[NH+](Cc3ccc(C(F)(F)F)s3)CC2)CC1 ZINC000685455314 722385759 /nfs/dbraw/zinc/38/57/59/722385759.db2.gz YEPHCJAZCNOYCI-UHFFFAOYSA-N 2 1 361.477 3.226 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1cccc(Cl)c1 ZINC000732273740 722483325 /nfs/dbraw/zinc/48/33/25/722483325.db2.gz JJZTUMGZSSJPPS-QGZVFWFLSA-N 2 1 351.922 3.322 20 0 FGADMP Cc1c(Cl)cccc1NC(=S)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000732720543 722487783 /nfs/dbraw/zinc/48/77/83/722487783.db2.gz JMLOKXIKKSKJID-CQSZACIVSA-N 2 1 366.962 3.103 20 0 FGADMP Cc1c(Cl)cccc1NC(=S)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732720543 722487784 /nfs/dbraw/zinc/48/77/84/722487784.db2.gz JMLOKXIKKSKJID-CQSZACIVSA-N 2 1 366.962 3.103 20 0 FGADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315217 722934487 /nfs/dbraw/zinc/93/44/87/722934487.db2.gz ODJAUIRIWVWGHV-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000761201461 723132740 /nfs/dbraw/zinc/13/27/40/723132740.db2.gz AIFPRBPLHLKPMT-RDJZCZTQSA-N 2 1 351.535 3.238 20 0 FGADMP COCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000792925294 723382894 /nfs/dbraw/zinc/38/28/94/723382894.db2.gz JONQSUUFQKNEPW-RHSMWYFYSA-N 2 1 361.313 3.117 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000764928549 723460111 /nfs/dbraw/zinc/46/01/11/723460111.db2.gz ONLCDLYWVVAKQG-QLFBSQMISA-N 2 1 352.910 3.305 20 0 FGADMP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000764928549 723460112 /nfs/dbraw/zinc/46/01/12/723460112.db2.gz ONLCDLYWVVAKQG-QLFBSQMISA-N 2 1 352.910 3.305 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000767452004 723619753 /nfs/dbraw/zinc/61/97/53/723619753.db2.gz MWPNMJRUFVKBGV-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(Br)cc1 ZINC000767452004 723619754 /nfs/dbraw/zinc/61/97/54/723619754.db2.gz MWPNMJRUFVKBGV-INIZCTEOSA-N 2 1 352.276 3.010 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)s1 ZINC000796358603 723634422 /nfs/dbraw/zinc/63/44/22/723634422.db2.gz OZPZVDGQRUETDJ-AWEZNQCLSA-N 2 1 368.547 3.084 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)[C@@H]2CCC[C@@H]21 ZINC000796748406 723653329 /nfs/dbraw/zinc/65/33/29/723653329.db2.gz LCWZVORPUABLAU-BZSNNMDCSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C(=O)OC(C)(C)C ZINC000796766820 723654050 /nfs/dbraw/zinc/65/40/50/723654050.db2.gz YDOCGLQYFKOSSX-KURKYZTESA-N 2 1 353.551 3.484 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864531 723936433 /nfs/dbraw/zinc/93/64/33/723936433.db2.gz QWNYKIHBPJKFPY-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864531 723936435 /nfs/dbraw/zinc/93/64/35/723936435.db2.gz QWNYKIHBPJKFPY-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864531 723936436 /nfs/dbraw/zinc/93/64/36/723936436.db2.gz QWNYKIHBPJKFPY-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000774864531 723936437 /nfs/dbraw/zinc/93/64/37/723936437.db2.gz QWNYKIHBPJKFPY-QZTJIDSGSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)CC1 ZINC000799179020 723995596 /nfs/dbraw/zinc/99/55/96/723995596.db2.gz YNAMEFAVGRTSNU-UHFFFAOYSA-N 2 1 353.869 3.225 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3cc(Cl)ccc3F)C2)CC1 ZINC000799179020 723995598 /nfs/dbraw/zinc/99/55/98/723995598.db2.gz YNAMEFAVGRTSNU-UHFFFAOYSA-N 2 1 353.869 3.225 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359019 724017650 /nfs/dbraw/zinc/01/76/50/724017650.db2.gz SFFSHGRWLWVWPH-QGZVFWFLSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000799359019 724017656 /nfs/dbraw/zinc/01/76/56/724017656.db2.gz SFFSHGRWLWVWPH-QGZVFWFLSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776606829 724163730 /nfs/dbraw/zinc/16/37/30/724163730.db2.gz OJUVCSBQWARUKZ-HOTGVXAUSA-N 2 1 350.507 3.301 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000776606829 724163733 /nfs/dbraw/zinc/16/37/33/724163733.db2.gz OJUVCSBQWARUKZ-HOTGVXAUSA-N 2 1 350.507 3.301 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000800970091 724255925 /nfs/dbraw/zinc/25/59/25/724255925.db2.gz XFWHAAODNICJHE-OLMNPRSZSA-N 2 1 356.432 3.479 20 0 FGADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000800970091 724255928 /nfs/dbraw/zinc/25/59/28/724255928.db2.gz XFWHAAODNICJHE-OLMNPRSZSA-N 2 1 356.432 3.479 20 0 FGADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788613992 725075870 /nfs/dbraw/zinc/07/58/70/725075870.db2.gz ZCXHYDJWMYXQMR-KRWDZBQOSA-N 2 1 351.535 3.240 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000788613992 725075873 /nfs/dbraw/zinc/07/58/73/725075873.db2.gz ZCXHYDJWMYXQMR-KRWDZBQOSA-N 2 1 351.535 3.240 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794394 725096345 /nfs/dbraw/zinc/09/63/45/725096345.db2.gz UEWSDMPFEOMXLH-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794394 725096349 /nfs/dbraw/zinc/09/63/49/725096349.db2.gz UEWSDMPFEOMXLH-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000805794394 725096353 /nfs/dbraw/zinc/09/63/53/725096353.db2.gz UEWSDMPFEOMXLH-PXNSSMCTSA-N 2 1 351.535 3.194 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)nc1C(F)(F)F)CC[NH+](C)C ZINC000808781643 725217250 /nfs/dbraw/zinc/21/72/50/725217250.db2.gz LACHTAIWNCFGQC-UHFFFAOYSA-N 2 1 366.859 3.069 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596212 725250804 /nfs/dbraw/zinc/25/08/04/725250804.db2.gz WSXIBBCLJFWUSF-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596212 725250806 /nfs/dbraw/zinc/25/08/06/725250806.db2.gz WSXIBBCLJFWUSF-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC[C@@H]21 ZINC000809596212 725250807 /nfs/dbraw/zinc/25/08/07/725250807.db2.gz WSXIBBCLJFWUSF-SJORKVTESA-N 2 1 353.551 3.438 20 0 FGADMP CC1(C)[C@H](O)CC[NH+]1CCCCCCCCC[N@@H+]1CC[C@@H](O)C1(C)C ZINC000812868724 726819695 /nfs/dbraw/zinc/81/96/95/726819695.db2.gz MIAJAQGZFPVFSO-RTBURBONSA-N 2 1 354.579 3.408 20 0 FGADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1 ZINC000817984213 727290443 /nfs/dbraw/zinc/29/04/43/727290443.db2.gz OQLIPHKZJSHFDB-MRXNPFEDSA-N 2 1 358.917 3.379 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccccc2Br)C1 ZINC000818984268 727334296 /nfs/dbraw/zinc/33/42/96/727334296.db2.gz CLMBMUQCPQQITE-RHSMWYFYSA-N 2 1 355.320 3.193 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000819101237 727347572 /nfs/dbraw/zinc/34/75/72/727347572.db2.gz PYOUIHQYSPBAQI-MRXNPFEDSA-N 2 1 352.276 3.057 20 0 FGADMP Cc1ccc(NCCC[NH2+]C[C@H](O)c2cccc(Br)c2)[nH+]c1 ZINC000819129422 727350482 /nfs/dbraw/zinc/35/04/82/727350482.db2.gz IWYCJBUSXBAUDV-INIZCTEOSA-N 2 1 364.287 3.278 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000819366069 727371305 /nfs/dbraw/zinc/37/13/05/727371305.db2.gz ICHAOCVJNGPZNZ-CXAGYDPISA-N 2 1 373.310 3.117 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000823395536 729275592 /nfs/dbraw/zinc/27/55/92/729275592.db2.gz WZMJRIHOUVUGHK-OXQOHEQNSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000824332275 729330884 /nfs/dbraw/zinc/33/08/84/729330884.db2.gz HSCNBJSUQVVEAQ-QGZVFWFLSA-N 2 1 364.555 3.001 20 0 FGADMP CC[N@@H+](CCC[NH+]1CCCC1)C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2 ZINC000824389761 729335452 /nfs/dbraw/zinc/33/54/52/729335452.db2.gz SIFUMXWWOYJKMS-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc(Cl)n1 ZINC000827574112 729431924 /nfs/dbraw/zinc/43/19/24/729431924.db2.gz YAZLRDCONWFZEG-CJNGLKHVSA-N 2 1 366.937 3.060 20 0 FGADMP [NH3+]CCCCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000829148873 729461643 /nfs/dbraw/zinc/46/16/43/729461643.db2.gz ZIAGKEFCGYZWFW-GOSISDBHSA-N 2 1 351.922 3.330 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508746 729808593 /nfs/dbraw/zinc/80/85/93/729808593.db2.gz QGJVHUTVIFZPAZ-CGTJXYLNSA-N 2 1 351.535 3.238 20 0 FGADMP COc1ccc(C[N@@H+](C)C2CCC([NH3+])CC2)c(Br)c1OC ZINC000843354692 730609941 /nfs/dbraw/zinc/60/99/41/730609941.db2.gz CNPSRWKDDVVYTO-UHFFFAOYSA-N 2 1 357.292 3.168 20 0 FGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844901392 730787174 /nfs/dbraw/zinc/78/71/74/730787174.db2.gz DVTQDVFZYNJQAA-BQFCYCMXSA-N 2 1 368.953 3.363 20 0 FGADMP C[C@H](NC(=[NH2+])NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074205 731225945 /nfs/dbraw/zinc/22/59/45/731225945.db2.gz GIPOAACIHYYRKW-YUTCNCBUSA-N 2 1 371.312 3.032 20 0 FGADMP CCOC(=O)NC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000850456629 731358819 /nfs/dbraw/zinc/35/88/19/731358819.db2.gz ASXFINDMZTWGOE-VYMRPNJYSA-N 2 1 351.535 3.286 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(cccc2F)s1 ZINC000855345704 731920409 /nfs/dbraw/zinc/92/04/09/731920409.db2.gz GVPOLHAJUOSCOI-ZDUSSCGKSA-N 2 1 351.491 3.042 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(cccc2F)s1 ZINC000855345704 731920412 /nfs/dbraw/zinc/92/04/12/731920412.db2.gz GVPOLHAJUOSCOI-ZDUSSCGKSA-N 2 1 351.491 3.042 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596162 732039951 /nfs/dbraw/zinc/03/99/51/732039951.db2.gz SFCWZSOCHOMEGQ-CJNGLKHVSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596162 732039960 /nfs/dbraw/zinc/03/99/60/732039960.db2.gz SFCWZSOCHOMEGQ-CJNGLKHVSA-N 2 1 358.313 3.180 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](C[C@H]3CC3(Cl)Cl)C2)ccn1 ZINC000856596162 732039964 /nfs/dbraw/zinc/03/99/64/732039964.db2.gz SFCWZSOCHOMEGQ-CJNGLKHVSA-N 2 1 358.313 3.180 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000857912901 732168837 /nfs/dbraw/zinc/16/88/37/732168837.db2.gz PWJVHDIEGJZMFT-INIZCTEOSA-N 2 1 360.889 3.238 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nc(Cl)cs1 ZINC000858438503 732214921 /nfs/dbraw/zinc/21/49/21/732214921.db2.gz APIOJXCFNPCRPQ-UHFFFAOYSA-N 2 1 356.967 3.429 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859962274 732424810 /nfs/dbraw/zinc/42/48/10/732424810.db2.gz NJYKEXQDOUGRDS-KYJSFNMBSA-N 2 1 367.331 3.084 20 0 FGADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1C[C@@H](O)C[NH+]1CCCC1 ZINC000859962274 732424812 /nfs/dbraw/zinc/42/48/12/732424812.db2.gz NJYKEXQDOUGRDS-KYJSFNMBSA-N 2 1 367.331 3.084 20 0 FGADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnc(Cl)c(F)c2)CC1 ZINC000865482878 733210328 /nfs/dbraw/zinc/21/03/28/733210328.db2.gz ADTZTXZKJFCAPI-UHFFFAOYSA-N 2 1 363.864 3.121 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872025762 735577780 /nfs/dbraw/zinc/57/77/80/735577780.db2.gz SPABTKCTRWWJGC-UWWQBHOKSA-N 2 1 367.331 3.458 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C(F)(F)F ZINC000872151061 735596383 /nfs/dbraw/zinc/59/63/83/735596383.db2.gz UFSQCCFWVYSHKE-AAEUAGOBSA-N 2 1 374.794 3.002 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]1C(F)(F)F ZINC000872151061 735596386 /nfs/dbraw/zinc/59/63/86/735596386.db2.gz UFSQCCFWVYSHKE-AAEUAGOBSA-N 2 1 374.794 3.002 20 0 FGADMP CN(C)Cc1cnc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)s1 ZINC000873231768 735740747 /nfs/dbraw/zinc/74/07/47/735740747.db2.gz DCCZCTPOWPYDBM-MAUKXSAKSA-N 2 1 350.576 3.324 20 0 FGADMP CCO[P@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000876896755 736159746 /nfs/dbraw/zinc/15/97/46/736159746.db2.gz MDOOZCGOSWNVRH-NSYGIPOTSA-N 2 1 368.458 3.331 20 0 FGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000876951917 736167140 /nfs/dbraw/zinc/16/71/40/736167140.db2.gz RLGSARGQHUDMFV-JBEBIEQOSA-N 2 1 350.403 3.388 20 0 FGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000877156554 736193175 /nfs/dbraw/zinc/19/31/75/736193175.db2.gz XGIPNTJZTGFQPA-DLUDVSRJSA-N 2 1 368.462 3.375 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740285 736712500 /nfs/dbraw/zinc/71/25/00/736712500.db2.gz JXAQZTAHEVKAHM-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740285 736712503 /nfs/dbraw/zinc/71/25/03/736712503.db2.gz JXAQZTAHEVKAHM-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3CCCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000877740285 736712507 /nfs/dbraw/zinc/71/25/07/736712507.db2.gz JXAQZTAHEVKAHM-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(SC(F)F)cc3)C2)CC1 ZINC000878864736 736927014 /nfs/dbraw/zinc/92/70/14/736927014.db2.gz NGCZLHJEYANULV-UHFFFAOYSA-N 2 1 369.481 3.358 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321979 737155617 /nfs/dbraw/zinc/15/56/17/737155617.db2.gz GDSSSDSVWHSMDL-JKSUJKDBSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)nc1C ZINC000880321979 737155619 /nfs/dbraw/zinc/15/56/19/737155619.db2.gz GDSSSDSVWHSMDL-JKSUJKDBSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)nc1C ZINC000880321979 737155621 /nfs/dbraw/zinc/15/56/21/737155621.db2.gz GDSSSDSVWHSMDL-JKSUJKDBSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc([C@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)nc1C ZINC000880321979 737155624 /nfs/dbraw/zinc/15/56/24/737155624.db2.gz GDSSSDSVWHSMDL-JKSUJKDBSA-N 2 1 365.543 3.292 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000884236255 737646242 /nfs/dbraw/zinc/64/62/42/737646242.db2.gz PRNDTCRMHMMGMK-GOSISDBHSA-N 2 1 366.619 3.124 20 0 FGADMP C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000889220010 739643428 /nfs/dbraw/zinc/64/34/28/739643428.db2.gz IQLKDURGLIHCEV-SFHVURJKSA-N 2 1 361.917 3.001 20 0 FGADMP C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000889220010 739643432 /nfs/dbraw/zinc/64/34/32/739643432.db2.gz IQLKDURGLIHCEV-SFHVURJKSA-N 2 1 361.917 3.001 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000891597154 739919301 /nfs/dbraw/zinc/91/93/01/739919301.db2.gz LBLIWNYUTQRJRG-AEFFLSMTSA-N 2 1 366.575 3.292 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893328289 742140820 /nfs/dbraw/zinc/14/08/20/742140820.db2.gz WPJQOLHVXQOXLA-RTBURBONSA-N 2 1 350.478 3.250 20 0 FGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903129222 743810712 /nfs/dbraw/zinc/81/07/12/743810712.db2.gz FXLXIZLYOMQIJA-ONQFOCNCSA-N 2 1 354.416 3.486 20 0 FGADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(C(F)(F)F)cc1 ZINC000903129222 743810715 /nfs/dbraw/zinc/81/07/15/743810715.db2.gz FXLXIZLYOMQIJA-ONQFOCNCSA-N 2 1 354.416 3.486 20 0 FGADMP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903217750 743824435 /nfs/dbraw/zinc/82/44/35/743824435.db2.gz ZGKHBTITEJVPAC-ZXFUBFMLSA-N 2 1 351.535 3.427 20 0 FGADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903454782 743852852 /nfs/dbraw/zinc/85/28/52/743852852.db2.gz JRODFQFRIKIHBK-QGZVFWFLSA-N 2 1 355.448 3.354 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903460834 743853311 /nfs/dbraw/zinc/85/33/11/743853311.db2.gz JOXUAFRSLZWDQU-UJWQCDCRSA-N 2 1 350.453 3.396 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)cs2)cc1 ZINC000903497035 743856483 /nfs/dbraw/zinc/85/64/83/743856483.db2.gz NTUOZWMXIGMZQE-HUUCEWRRSA-N 2 1 361.511 3.147 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000903843409 743887726 /nfs/dbraw/zinc/88/77/26/743887726.db2.gz KQPRINSQODZGGR-CQDKDKBSSA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1ncc(-c3ccc(Br)cc3)o1)C2 ZINC000903843409 743887732 /nfs/dbraw/zinc/88/77/32/743887732.db2.gz KQPRINSQODZGGR-CQDKDKBSSA-N 2 1 362.271 3.416 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)ccc1OC(F)F ZINC000903954306 743904718 /nfs/dbraw/zinc/90/47/18/743904718.db2.gz CVZCZKJBJZXNCP-LBPRGKRZSA-N 2 1 350.356 3.021 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC3(CC2)CC[NH+](C/C=C\Cl)CC3)CC[N@H+]1C ZINC000957552399 762641072 /nfs/dbraw/zinc/64/10/72/762641072.db2.gz NFLAZEVMFSYZSK-XZWWOTKMSA-N 2 1 367.965 3.174 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921528934 758736120 /nfs/dbraw/zinc/73/61/20/758736120.db2.gz XSMNOSQREIPZFG-UHFFFAOYSA-N 2 1 351.292 3.302 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1nc(Br)c[nH]1 ZINC000921528934 758736126 /nfs/dbraw/zinc/73/61/26/758736126.db2.gz XSMNOSQREIPZFG-UHFFFAOYSA-N 2 1 351.292 3.302 20 0 FGADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3c(Cl)n[nH]c3C3CC3)C2)nc(C)[nH+]1 ZINC000921699476 758772898 /nfs/dbraw/zinc/77/28/98/758772898.db2.gz IJNJHCFXLVKDQU-CQSZACIVSA-N 2 1 360.893 3.106 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(C(F)(F)F)c1)C2 ZINC000922387778 758910618 /nfs/dbraw/zinc/91/06/18/758910618.db2.gz AZHWGYVNEZNSNR-LUYZLQTOSA-N 2 1 362.461 3.336 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(F)c(F)c3F)C2)[C@H]1C(C)C ZINC000922391871 758912865 /nfs/dbraw/zinc/91/28/65/758912865.db2.gz BOMASFBTLDUQTG-OHDICMOHSA-N 2 1 356.432 3.063 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000923488975 759130729 /nfs/dbraw/zinc/13/07/29/759130729.db2.gz VNEXPWAABHETDC-GHMZBOCLSA-N 2 1 363.811 3.357 20 0 FGADMP C[C@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923510912 759136445 /nfs/dbraw/zinc/13/64/45/759136445.db2.gz XZMJLHOPPXEJAP-QWRGUYRKSA-N 2 1 363.811 3.214 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923510912 759136560 /nfs/dbraw/zinc/13/65/60/759136560.db2.gz XZMJLHOPPXEJAP-QWRGUYRKSA-N 2 1 363.811 3.214 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924663197 759369726 /nfs/dbraw/zinc/36/97/26/759369726.db2.gz ZMPWUXVGSUBNPS-GOSISDBHSA-N 2 1 350.938 3.120 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCC[C@@H]3CCCO)CCCC2)CC1 ZINC000925001232 759430143 /nfs/dbraw/zinc/43/01/43/759430143.db2.gz WTLHWXUVOUBUOX-QUCCMNQESA-N 2 1 352.563 3.331 20 0 FGADMP Clc1ccc(Br)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000925807421 759546715 /nfs/dbraw/zinc/54/67/15/759546715.db2.gz ASDSWJKWASVJFU-CWRNSKLLSA-N 2 1 373.722 3.349 20 0 FGADMP COC/C(C)=C\C[NH+]1CCCC2(CCC[N@H+](C/C=C(/C)COC)C2)C1 ZINC000930512527 760629773 /nfs/dbraw/zinc/62/97/73/760629773.db2.gz UUFDYGHIYKCZEP-DWVBSFERSA-N 2 1 350.547 3.350 20 0 FGADMP CO[C@H](CN1CCC([N@H+]2CCCOCC2)CC1)c1ccc(Cl)cc1 ZINC000931286742 760817545 /nfs/dbraw/zinc/81/75/45/760817545.db2.gz IKTQTGGHQFDCFG-LJQANCHMSA-N 2 1 352.906 3.214 20 0 FGADMP CCc1ccc(-c2nc(C[NH+]3CCC(O)(C[NH+](C)C)CC3)cs2)cc1 ZINC000931485077 760873091 /nfs/dbraw/zinc/87/30/91/760873091.db2.gz XWZLNKDVELLZDJ-UHFFFAOYSA-N 2 1 359.539 3.261 20 0 FGADMP C[NH+](C)CC1(O)CC[NH+](Cc2cc3cc(Cl)ccc3nc2Cl)CC1 ZINC000931482034 760873662 /nfs/dbraw/zinc/87/36/62/760873662.db2.gz ZHBDUGUHJTZMNZ-UHFFFAOYSA-N 2 1 368.308 3.430 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ncc(Br)cn2)CCC1 ZINC000933322000 761363490 /nfs/dbraw/zinc/36/34/90/761363490.db2.gz QNKQNVXVLKQHEG-UHFFFAOYSA-N 2 1 364.291 3.193 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[NH+](C/C=C\Cl)C3)CC2)CC[N@H+]1C ZINC000961373270 762747182 /nfs/dbraw/zinc/74/71/82/762747182.db2.gz NMFNAEPXAOTCIG-PIDDPAKVSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[N@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC000961373270 762747188 /nfs/dbraw/zinc/74/71/88/762747188.db2.gz NMFNAEPXAOTCIG-PIDDPAKVSA-N 2 1 367.965 3.030 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC([C@@H]3CCC[N@@H+](C/C=C\Cl)C3)CC2)CC[NH+]1C ZINC000961373270 762747191 /nfs/dbraw/zinc/74/71/91/762747191.db2.gz NMFNAEPXAOTCIG-PIDDPAKVSA-N 2 1 367.965 3.030 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]Cc3ccsc3)CC2)CC[N@H+]1C ZINC000963344322 762771122 /nfs/dbraw/zinc/77/11/22/762771122.db2.gz MSKNXPZUWBBDRF-WZOJCFFYSA-N 2 1 363.571 3.338 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000998791068 765124419 /nfs/dbraw/zinc/12/44/19/765124419.db2.gz GYQXWJLSXIKBPT-WZOJCFFYSA-N 2 1 363.933 3.149 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]Cc3c(Cl)cccc3Cl)C2)CC[N@H+]1C ZINC001022103666 765973426 /nfs/dbraw/zinc/97/34/26/765973426.db2.gz KIDMWZGRSABWBG-YIYPIFLZSA-N 2 1 370.324 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2ccccc2Cl)CC[N@H+]1C ZINC001024966719 766064394 /nfs/dbraw/zinc/06/43/94/766064394.db2.gz AFLGKIIXCYFIGP-KBAYOESNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(Cl)s2)CC[N@@H+]1C ZINC001027893048 766104154 /nfs/dbraw/zinc/10/41/54/766104154.db2.gz LEILMAOFXXHWPT-VNQPRFMTSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(Cl)s2)CC[N@H+]1C ZINC001027893048 766104158 /nfs/dbraw/zinc/10/41/58/766104158.db2.gz LEILMAOFXXHWPT-VNQPRFMTSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001027893048 766104161 /nfs/dbraw/zinc/10/41/61/766104161.db2.gz LEILMAOFXXHWPT-VNQPRFMTSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)s2)CC[NH+]1C ZINC001027893048 766104165 /nfs/dbraw/zinc/10/41/65/766104165.db2.gz LEILMAOFXXHWPT-VNQPRFMTSA-N 2 1 369.962 3.212 20 0 FGADMP Cc1cc(Cl)ccc1C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027892426 766104856 /nfs/dbraw/zinc/10/48/56/766104856.db2.gz VUGTZVAYDAIHPN-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892426 766104861 /nfs/dbraw/zinc/10/48/61/766104861.db2.gz VUGTZVAYDAIHPN-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cc(Cl)ccc1C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027892426 766104864 /nfs/dbraw/zinc/10/48/64/766104864.db2.gz VUGTZVAYDAIHPN-ATZDWAIDSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C3CC[NH+](C/C=C/Cl)CC3)C2)CC[N@H+]1C ZINC001047243192 766632291 /nfs/dbraw/zinc/63/22/91/766632291.db2.gz XLTMUDFBSUNZER-UTUZXDLFSA-N 2 1 367.965 3.030 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)c3ccccc23)CC1 ZINC000573628890 505582342 /nfs/dbraw/zinc/58/23/42/505582342.db2.gz BGXXRPXCEPVQSY-UHFFFAOYSA-N 2 1 364.424 3.378 20 0 FGADMP O[C@H](CNc1nccc2ccc(F)cc21)C[N@H+]1CCc2ccccc2C1 ZINC000570829590 505590248 /nfs/dbraw/zinc/59/02/48/505590248.db2.gz RQJMXWDFXHIRHL-LJQANCHMSA-N 2 1 351.425 3.205 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000568043044 505602492 /nfs/dbraw/zinc/60/24/92/505602492.db2.gz KJXQHHSUJDGYEA-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP CCc1cc(N2CCC([NH2+][C@H]3CC[NH2+][C@H](c4ccccc4)C3)CC2)ncn1 ZINC000570908883 505608920 /nfs/dbraw/zinc/60/89/20/505608920.db2.gz JKIYJNRYMCDZGF-SFTDATJTSA-N 2 1 365.525 3.091 20 0 FGADMP CC(C)[C@@H](CNC(=O)c1ccccc1CC[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000568153635 505628835 /nfs/dbraw/zinc/62/88/35/505628835.db2.gz PCZRILBTXWTPAD-JOCHJYFZSA-N 2 1 365.521 3.001 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000568232978 505649003 /nfs/dbraw/zinc/64/90/03/505649003.db2.gz YPENEVSGUYBEOG-QFIPXVFZSA-N 2 1 372.557 3.072 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577081923 505660959 /nfs/dbraw/zinc/66/09/59/505660959.db2.gz HTOZELJPCIRGTR-OAHLLOKOSA-N 2 1 370.522 3.385 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CCCc2cnccc2C)CC1 ZINC000577145717 505673035 /nfs/dbraw/zinc/67/30/35/505673035.db2.gz HIBBTUONYYCQAZ-UHFFFAOYSA-N 2 1 366.553 3.250 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900307 493793970 /nfs/dbraw/zinc/79/39/70/493793970.db2.gz VTCABGDYIBYMFS-OXJNMPFZSA-N 2 1 361.505 3.198 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)CC1 ZINC000075900307 493793972 /nfs/dbraw/zinc/79/39/72/493793972.db2.gz VTCABGDYIBYMFS-OXJNMPFZSA-N 2 1 361.505 3.198 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000076052096 493813927 /nfs/dbraw/zinc/81/39/27/493813927.db2.gz QGYLGWKEZCANNE-HXUWFJFHSA-N 2 1 360.546 3.195 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076342304 493870616 /nfs/dbraw/zinc/87/06/16/493870616.db2.gz URWBFSSIHYKPJV-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000076342304 493870620 /nfs/dbraw/zinc/87/06/20/493870620.db2.gz URWBFSSIHYKPJV-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000076342304 493870625 /nfs/dbraw/zinc/87/06/25/493870625.db2.gz URWBFSSIHYKPJV-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000076342304 493870630 /nfs/dbraw/zinc/87/06/30/493870630.db2.gz URWBFSSIHYKPJV-PKOBYXMFSA-N 2 1 371.550 3.268 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCC[N@H+](C(C)C)CC2)cc1 ZINC000069732898 494004624 /nfs/dbraw/zinc/00/46/24/494004624.db2.gz YHXFNWFSWDZHAF-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000052209952 494011232 /nfs/dbraw/zinc/01/12/32/494011232.db2.gz LUUFBVDTJXTBPX-QGZVFWFLSA-N 2 1 363.521 3.447 20 0 FGADMP Cc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000077215889 494034679 /nfs/dbraw/zinc/03/46/79/494034679.db2.gz DZVQJAJTQUAZHU-CQSZACIVSA-N 2 1 364.440 3.192 20 0 FGADMP Cc1ccc(C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C2CC2)cc1C ZINC000077361151 494067567 /nfs/dbraw/zinc/06/75/67/494067567.db2.gz ICMMOPRHPVMGHO-UHFFFAOYSA-N 2 1 357.542 3.257 20 0 FGADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295147 505700857 /nfs/dbraw/zinc/70/08/57/505700857.db2.gz PTXXUFOJMHYANS-GUYCJALGSA-N 2 1 352.404 3.262 20 0 FGADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000571295147 505700861 /nfs/dbraw/zinc/70/08/61/505700861.db2.gz PTXXUFOJMHYANS-GUYCJALGSA-N 2 1 352.404 3.262 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691584 494145306 /nfs/dbraw/zinc/14/53/06/494145306.db2.gz UISAKILLCBWWJK-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691584 494145310 /nfs/dbraw/zinc/14/53/10/494145310.db2.gz UISAKILLCBWWJK-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000077691584 494145313 /nfs/dbraw/zinc/14/53/13/494145313.db2.gz UISAKILLCBWWJK-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086339117 494149264 /nfs/dbraw/zinc/14/92/64/494149264.db2.gz KVEYAWJKFZMPJL-INIZCTEOSA-N 2 1 357.502 3.273 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000072694634 494235119 /nfs/dbraw/zinc/23/51/19/494235119.db2.gz LXMBFNWSMJECKS-UHFFFAOYSA-N 2 1 371.525 3.482 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000042910790 494251594 /nfs/dbraw/zinc/25/15/94/494251594.db2.gz LKICGZJKZOPQPR-CALCHBBNSA-N 2 1 366.594 3.353 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000054717451 494264834 /nfs/dbraw/zinc/26/48/34/494264834.db2.gz IWFIVOHKZYDBIO-RXVVDRJESA-N 2 1 372.557 3.242 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000072963916 494292433 /nfs/dbraw/zinc/29/24/33/494292433.db2.gz GKXYFCOWAVUGAH-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000072963916 494292437 /nfs/dbraw/zinc/29/24/37/494292437.db2.gz GKXYFCOWAVUGAH-OAQYLSRUSA-N 2 1 373.585 3.465 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000073050637 494313939 /nfs/dbraw/zinc/31/39/39/494313939.db2.gz RCUASYGBVDOSFD-SCTDSRPQSA-N 2 1 372.557 3.089 20 0 FGADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594235 494327591 /nfs/dbraw/zinc/32/75/91/494327591.db2.gz CRYGEOFDCCVRFU-SFHVURJKSA-N 2 1 374.525 3.361 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000089640395 494335895 /nfs/dbraw/zinc/33/58/95/494335895.db2.gz JBSITVWKCCKCQY-DZGCQCFKSA-N 2 1 368.319 3.016 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)c3ccccc3F)CC2)CC1 ZINC000066568089 494357195 /nfs/dbraw/zinc/35/71/95/494357195.db2.gz OKEMRHXJLUBRBK-KRWDZBQOSA-N 2 1 361.505 3.153 20 0 FGADMP CCc1ccc(C[NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)s1 ZINC000066594169 494362603 /nfs/dbraw/zinc/36/26/03/494362603.db2.gz BXJLYCQEFJPPAG-GOSISDBHSA-N 2 1 371.550 3.298 20 0 FGADMP CCc1ccc([C@@H](CNC(=O)NCCCCn2cc[nH+]c2C)[NH+](C)C)cc1 ZINC000073494163 494378177 /nfs/dbraw/zinc/37/81/77/494378177.db2.gz ISGUFHOTUHKRLE-HXUWFJFHSA-N 2 1 371.529 3.136 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000073677004 494411279 /nfs/dbraw/zinc/41/12/79/494411279.db2.gz FNDBJKQQYXMQRR-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000073677004 494411281 /nfs/dbraw/zinc/41/12/81/494411281.db2.gz FNDBJKQQYXMQRR-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000073677004 494411286 /nfs/dbraw/zinc/41/12/86/494411286.db2.gz FNDBJKQQYXMQRR-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000073677257 494411690 /nfs/dbraw/zinc/41/16/90/494411690.db2.gz SWASCMIOQHIRQO-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073677257 494411695 /nfs/dbraw/zinc/41/16/95/494411695.db2.gz SWASCMIOQHIRQO-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H]1CCC[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000073677257 494411698 /nfs/dbraw/zinc/41/16/98/494411698.db2.gz SWASCMIOQHIRQO-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079170725 494413430 /nfs/dbraw/zinc/41/34/30/494413430.db2.gz CDYHZAFDNZFKOS-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003600 494426100 /nfs/dbraw/zinc/42/61/00/494426100.db2.gz WWQMLELBZRMDCL-DLBZAZTESA-N 2 1 372.488 3.033 20 0 FGADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003600 494426102 /nfs/dbraw/zinc/42/61/02/494426102.db2.gz WWQMLELBZRMDCL-DLBZAZTESA-N 2 1 372.488 3.033 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+]2CCCC2)cc1 ZINC000073919028 494449100 /nfs/dbraw/zinc/44/91/00/494449100.db2.gz POAAKTTYIJRNHP-QHAWAJNXSA-N 2 1 370.541 3.010 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000045757620 494458119 /nfs/dbraw/zinc/45/81/19/494458119.db2.gz RZCVWJFNAPXRAO-IBGZPJMESA-N 2 1 372.557 3.133 20 0 FGADMP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000090938680 494505695 /nfs/dbraw/zinc/50/56/95/494505695.db2.gz DCEXBUZDANQZMT-QGZVFWFLSA-N 2 1 368.525 3.172 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000580315399 505731417 /nfs/dbraw/zinc/73/14/17/505731417.db2.gz HEEFQCZSNVXPOW-HXUWFJFHSA-N 2 1 357.542 3.175 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000091333554 494584635 /nfs/dbraw/zinc/58/46/35/494584635.db2.gz FQHGIUBUGQGDIK-AZUAARDMSA-N 2 1 361.505 3.234 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000080166443 494621663 /nfs/dbraw/zinc/62/16/63/494621663.db2.gz ONZNUTMCLJUZJK-NQIIRXRSSA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000057137799 494653023 /nfs/dbraw/zinc/65/30/23/494653023.db2.gz DWVPYMPGCQZDDJ-JOCHJYFZSA-N 2 1 365.521 3.277 20 0 FGADMP CCn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000092587486 494676807 /nfs/dbraw/zinc/67/68/07/494676807.db2.gz LYICZHZGLVRPKV-ROUUACIJSA-N 2 1 370.541 3.377 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000057280730 494704779 /nfs/dbraw/zinc/70/47/79/494704779.db2.gz UZVATZWHSGZJCH-PRJVBOEPSA-N 2 1 372.557 3.200 20 0 FGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)CC1 ZINC000080616917 494748748 /nfs/dbraw/zinc/74/87/48/494748748.db2.gz PELLDUHGPMFAFK-AEFFLSMTSA-N 2 1 356.514 3.006 20 0 FGADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821091 494763703 /nfs/dbraw/zinc/76/37/03/494763703.db2.gz HOSYXGIKTXENQN-FQEVSTJZSA-N 2 1 372.557 3.411 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000116399798 494773600 /nfs/dbraw/zinc/77/36/00/494773600.db2.gz CUCCUHBNXLPEOW-GOSISDBHSA-N 2 1 351.535 3.020 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000116399798 494773604 /nfs/dbraw/zinc/77/36/04/494773604.db2.gz CUCCUHBNXLPEOW-GOSISDBHSA-N 2 1 351.535 3.020 20 0 FGADMP C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000075490925 494776354 /nfs/dbraw/zinc/77/63/54/494776354.db2.gz UUMWYWBBAAOHMX-LJQANCHMSA-N 2 1 365.521 3.485 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000116431041 494785359 /nfs/dbraw/zinc/78/53/59/494785359.db2.gz NYJRIBIGPHOIIL-SFTDATJTSA-N 2 1 373.541 3.213 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(OCCC(C)C)cc3)C2)CC1 ZINC000093133154 494829869 /nfs/dbraw/zinc/82/98/69/494829869.db2.gz RHHMDFYNZMYFSC-OAQYLSRUSA-N 2 1 359.558 3.323 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccncc4)cc3F)C2)CC1 ZINC000093132708 494830357 /nfs/dbraw/zinc/83/03/57/494830357.db2.gz VPUHWHBIKLCPFO-OAQYLSRUSA-N 2 1 368.500 3.100 20 0 FGADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCCC4)C2)cc1 ZINC000121669152 494834411 /nfs/dbraw/zinc/83/44/11/494834411.db2.gz XTSJLGMJHIWRGA-MBDNFAEBSA-N 2 1 354.538 3.488 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000132212892 494839391 /nfs/dbraw/zinc/83/93/91/494839391.db2.gz BXYJYXIPHLBWJM-UHFFFAOYSA-N 2 1 354.420 3.366 20 0 FGADMP C[C@H]1CC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C[C@H](C)C1 ZINC000126913068 494861259 /nfs/dbraw/zinc/86/12/59/494861259.db2.gz LDKKUSPHEJUVKF-QZTJIDSGSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000580386454 505747055 /nfs/dbraw/zinc/74/70/55/505747055.db2.gz AOLOEFNLZMBHAS-YFVAEKQCSA-N 2 1 368.500 3.300 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ncccc2F)C1 ZINC000580386454 505747058 /nfs/dbraw/zinc/74/70/58/505747058.db2.gz AOLOEFNLZMBHAS-YFVAEKQCSA-N 2 1 368.500 3.300 20 0 FGADMP CN(c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000093597719 494902883 /nfs/dbraw/zinc/90/28/83/494902883.db2.gz GENTWLYOYKHBJC-HXUWFJFHSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)C1CC[NH+](C)CC1 ZINC000093597719 494902889 /nfs/dbraw/zinc/90/28/89/494902889.db2.gz GENTWLYOYKHBJC-HXUWFJFHSA-N 3 1 370.585 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCOC2(CCCC2)C1)C1CC[NH+](C)CC1 ZINC000093589115 494903150 /nfs/dbraw/zinc/90/31/50/494903150.db2.gz VVGDOJJDXUOIPW-UHFFFAOYSA-N 2 1 357.542 3.362 20 0 FGADMP CCn1nc(C)c(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)c1C ZINC000093769427 494919325 /nfs/dbraw/zinc/91/93/25/494919325.db2.gz GYTSDFVJRGJMKF-UHFFFAOYSA-N 2 1 350.551 3.090 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120658 494927467 /nfs/dbraw/zinc/92/74/67/494927467.db2.gz ORXDGHRQZMEJKR-UTKZUKDTSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120658 494927473 /nfs/dbraw/zinc/92/74/73/494927473.db2.gz ORXDGHRQZMEJKR-UTKZUKDTSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cc1)C1CC1 ZINC000122120658 494927475 /nfs/dbraw/zinc/92/74/75/494927475.db2.gz ORXDGHRQZMEJKR-UTKZUKDTSA-N 2 1 357.542 3.473 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccccc3N(C)C)CC2)nc(C)[nH+]1 ZINC000093946655 494937975 /nfs/dbraw/zinc/93/79/75/494937975.db2.gz XGGQIBCYDIMSFW-INIZCTEOSA-N 2 1 353.514 3.479 20 0 FGADMP COc1cc(N[C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)cc(OC)c1 ZINC000127457980 494947653 /nfs/dbraw/zinc/94/76/53/494947653.db2.gz OMRNJRPJCFHPAV-QGZVFWFLSA-N 2 1 358.486 3.175 20 0 FGADMP COc1cc(N[C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)cc(OC)c1 ZINC000127457980 494947657 /nfs/dbraw/zinc/94/76/57/494947657.db2.gz OMRNJRPJCFHPAV-QGZVFWFLSA-N 2 1 358.486 3.175 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000097257385 495029438 /nfs/dbraw/zinc/02/94/38/495029438.db2.gz PKJUANWNFKVJOR-QGZVFWFLSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1 ZINC000122812099 495034479 /nfs/dbraw/zinc/03/44/79/495034479.db2.gz WELMTUQGPGXHGL-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1ccc(-n2cncn2)cc1 ZINC000122812099 495034481 /nfs/dbraw/zinc/03/44/81/495034481.db2.gz WELMTUQGPGXHGL-SFHVURJKSA-N 2 1 361.493 3.366 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000128079239 495041692 /nfs/dbraw/zinc/04/16/92/495041692.db2.gz JPBJKEZFKOSGCF-NQIIRXRSSA-N 2 1 374.573 3.400 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC2(CCC2)C1 ZINC000123025750 495068961 /nfs/dbraw/zinc/06/89/61/495068961.db2.gz NLJQUOARXJWOLB-SFHVURJKSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](CNC(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000111418983 495073061 /nfs/dbraw/zinc/07/30/61/495073061.db2.gz LGPOFGLHOINTLF-KRWDZBQOSA-N 2 1 354.498 3.390 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000111439308 495074526 /nfs/dbraw/zinc/07/45/26/495074526.db2.gz ZKEBOOTUDXXSJX-KRWDZBQOSA-N 2 1 352.567 3.059 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4ccccc4)CCCCC3)cn2)CC1 ZINC000134322878 495135014 /nfs/dbraw/zinc/13/50/14/495135014.db2.gz UWYMQJDSKGBGAW-UHFFFAOYSA-N 2 1 365.525 3.178 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@H+](C)C1CC1 ZINC000119529324 495183777 /nfs/dbraw/zinc/18/37/77/495183777.db2.gz LQUVSDMJUJFQJH-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1)[N@@H+](C)C1CC1 ZINC000119529324 495183782 /nfs/dbraw/zinc/18/37/82/495183782.db2.gz LQUVSDMJUJFQJH-QZTJIDSGSA-N 2 1 364.578 3.155 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000119600174 495199045 /nfs/dbraw/zinc/19/90/45/495199045.db2.gz UNELHFBQSFPROL-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000119600174 495199048 /nfs/dbraw/zinc/19/90/48/495199048.db2.gz UNELHFBQSFPROL-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000119600174 495199053 /nfs/dbraw/zinc/19/90/53/495199053.db2.gz UNELHFBQSFPROL-SFTDATJTSA-N 2 1 357.542 3.135 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134874620 495213164 /nfs/dbraw/zinc/21/31/64/495213164.db2.gz ZSLRZLUKUXEOEW-SZVBFZGTSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134874620 495213168 /nfs/dbraw/zinc/21/31/68/495213168.db2.gz ZSLRZLUKUXEOEW-SZVBFZGTSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@@H](COc1ccccc1Cl)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134874620 495213174 /nfs/dbraw/zinc/21/31/74/495213174.db2.gz ZSLRZLUKUXEOEW-SZVBFZGTSA-N 2 1 364.917 3.028 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119695198 495220761 /nfs/dbraw/zinc/22/07/61/495220761.db2.gz DGAFEDINOUWMMK-CTNGQTDRSA-N 2 1 351.494 3.057 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000574425945 505770202 /nfs/dbraw/zinc/77/02/02/505770202.db2.gz DFHYRRCDSGFMDF-IIMDRIAPSA-N 2 1 372.557 3.104 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000577647426 505770239 /nfs/dbraw/zinc/77/02/39/505770239.db2.gz NUFVKICSYQTQBW-PGRDOPGGSA-N 2 1 365.521 3.184 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC1 ZINC000124332302 495271451 /nfs/dbraw/zinc/27/14/51/495271451.db2.gz RLUPLWCELFPMDW-LJQANCHMSA-N 2 1 365.949 3.417 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000119992342 495284267 /nfs/dbraw/zinc/28/42/67/495284267.db2.gz ZLKAVEMAVLLHJK-CBNMVNINSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000105094059 495335909 /nfs/dbraw/zinc/33/59/09/495335909.db2.gz IXGKXNUMETVIDB-OAQYLSRUSA-N 2 1 372.557 3.204 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000105207658 495345304 /nfs/dbraw/zinc/34/53/04/495345304.db2.gz XUMWZJWITGVEQF-FPOVZHCZSA-N 2 1 372.557 3.163 20 0 FGADMP CCCc1cc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)c2ccccc2[nH+]1 ZINC000124870033 495357026 /nfs/dbraw/zinc/35/70/26/495357026.db2.gz SMNBFDAQVINVIL-LJQANCHMSA-N 2 1 352.526 3.404 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)nc3ccccc23)[C@H](C)C1 ZINC000124869250 495357210 /nfs/dbraw/zinc/35/72/10/495357210.db2.gz FADDNBMVTRHQKK-XLIONFOSSA-N 2 1 371.525 3.470 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000124939761 495367743 /nfs/dbraw/zinc/36/77/43/495367743.db2.gz QICCZRLGASRNGR-UXHICEINSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000124939761 495367748 /nfs/dbraw/zinc/36/77/48/495367748.db2.gz QICCZRLGASRNGR-UXHICEINSA-N 2 1 366.594 3.166 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000124939761 495367751 /nfs/dbraw/zinc/36/77/51/495367751.db2.gz QICCZRLGASRNGR-UXHICEINSA-N 2 1 366.594 3.166 20 0 FGADMP Cn1ncc(Cl)c1CNC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000130328807 495373698 /nfs/dbraw/zinc/37/36/98/495373698.db2.gz IWFJTORYZYUEBP-UHFFFAOYSA-N 2 1 353.297 3.481 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](c3ccccc3)CC2)CC1 ZINC000114456386 495376838 /nfs/dbraw/zinc/37/68/38/495376838.db2.gz MFEJOLPFRPLWDK-HXUWFJFHSA-N 2 1 357.542 3.245 20 0 FGADMP CCC[N@H+](CCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477355 495380831 /nfs/dbraw/zinc/38/08/31/495380831.db2.gz QTEYLZDQFBMPJN-UHFFFAOYSA-N 2 1 374.451 3.353 20 0 FGADMP CCC[N@@H+](CCOCC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477355 495380833 /nfs/dbraw/zinc/38/08/33/495380833.db2.gz QTEYLZDQFBMPJN-UHFFFAOYSA-N 2 1 374.451 3.353 20 0 FGADMP CCC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088342 495388794 /nfs/dbraw/zinc/38/87/94/495388794.db2.gz DSAPECRAHYSAJF-HXUWFJFHSA-N 2 1 357.542 3.488 20 0 FGADMP CCC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088342 495388798 /nfs/dbraw/zinc/38/87/98/495388798.db2.gz DSAPECRAHYSAJF-HXUWFJFHSA-N 2 1 357.542 3.488 20 0 FGADMP CCC[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000125088342 495388801 /nfs/dbraw/zinc/38/88/01/495388801.db2.gz DSAPECRAHYSAJF-HXUWFJFHSA-N 2 1 357.542 3.488 20 0 FGADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000120507753 495394269 /nfs/dbraw/zinc/39/42/69/495394269.db2.gz PGKCDYYKONEVNO-NRFANRHFSA-N 2 1 359.558 3.319 20 0 FGADMP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000120601942 495415412 /nfs/dbraw/zinc/41/54/12/495415412.db2.gz BHBUFIDDSIRDSM-MRXNPFEDSA-N 2 1 372.532 3.404 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)C1 ZINC000130611153 495418882 /nfs/dbraw/zinc/41/88/82/495418882.db2.gz JLXUFHILYOPMET-CTNGQTDRSA-N 2 1 372.557 3.163 20 0 FGADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000106164765 495422096 /nfs/dbraw/zinc/42/20/96/495422096.db2.gz HVOJZEHNBLYFHD-LJQANCHMSA-N 2 1 370.497 3.101 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000125409751 495440103 /nfs/dbraw/zinc/44/01/03/495440103.db2.gz RFTMEXBLIQFFGY-VWEINGBSSA-N 2 1 372.557 3.069 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1 ZINC000130767008 495441851 /nfs/dbraw/zinc/44/18/51/495441851.db2.gz TYEGTJCSGHPTHR-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000130852995 495456025 /nfs/dbraw/zinc/45/60/25/495456025.db2.gz KYNXRPAZAXPIHS-NRFANRHFSA-N 2 1 374.573 3.128 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125562921 495463337 /nfs/dbraw/zinc/46/33/37/495463337.db2.gz HIJTWXBPTMBIEE-BMGDILEWSA-N 2 1 369.912 3.174 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](C[C@H]2CC=CCC2)CC1)Cc1ccccc1 ZINC000130902610 495464207 /nfs/dbraw/zinc/46/42/07/495464207.db2.gz WGPOZFVBWYLUJD-NRFANRHFSA-N 2 1 369.553 3.303 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)c2ccccc2F)CC1 ZINC000125832184 495505896 /nfs/dbraw/zinc/50/58/96/495505896.db2.gz ZGBHKGYAWMRHIL-UHFFFAOYSA-N 2 1 358.461 3.005 20 0 FGADMP Cc1nc2ccccc2n1CCNC(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000125857368 495509442 /nfs/dbraw/zinc/50/94/42/495509442.db2.gz MJNXLSSTEVNFCD-MRXNPFEDSA-N 2 1 369.513 3.003 20 0 FGADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)([NH+](C)C)C1 ZINC000131285204 495516608 /nfs/dbraw/zinc/51/66/08/495516608.db2.gz ISYUDJDHXJYBNZ-KIZRIRGWSA-N 2 1 358.574 3.392 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182372339 495537391 /nfs/dbraw/zinc/53/73/91/495537391.db2.gz RBAYACPENMSGED-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182372339 495537396 /nfs/dbraw/zinc/53/73/96/495537396.db2.gz RBAYACPENMSGED-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)NCCC[NH+]1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182372339 495537401 /nfs/dbraw/zinc/53/74/01/495537401.db2.gz RBAYACPENMSGED-CEXWTWQISA-N 2 1 364.578 3.203 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000144307351 495543706 /nfs/dbraw/zinc/54/37/06/495543706.db2.gz PXKZPBYUMVJSJH-OAQYLSRUSA-N 2 1 353.510 3.448 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176205029 495545941 /nfs/dbraw/zinc/54/59/41/495545941.db2.gz VIQPLFOBVQJNER-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC([NH+]2CCCC2)CC1 ZINC000176205029 495545945 /nfs/dbraw/zinc/54/59/45/495545945.db2.gz VIQPLFOBVQJNER-NRFANRHFSA-N 2 1 373.516 3.267 20 0 FGADMP CCn1nccc1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000580574518 505789276 /nfs/dbraw/zinc/78/92/76/505789276.db2.gz YBUYVNZVRBXHFM-JOCHJYFZSA-N 2 1 352.526 3.434 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000580574518 505789281 /nfs/dbraw/zinc/78/92/81/505789281.db2.gz YBUYVNZVRBXHFM-JOCHJYFZSA-N 2 1 352.526 3.434 20 0 FGADMP CCn1nccc1CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580574518 505789282 /nfs/dbraw/zinc/78/92/82/505789282.db2.gz YBUYVNZVRBXHFM-JOCHJYFZSA-N 2 1 352.526 3.434 20 0 FGADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)o1 ZINC000158667215 495562307 /nfs/dbraw/zinc/56/23/07/495562307.db2.gz KUGNKSIPXGXDCQ-IBGZPJMESA-N 2 1 361.530 3.494 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3nc(-c4ccc(Cl)cc4)no3)CC[C@@H]21 ZINC000158741577 495579122 /nfs/dbraw/zinc/57/91/22/495579122.db2.gz DYOUAWCECVXPMO-RDJZCZTQSA-N 2 1 360.889 3.349 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccccc1Br ZINC000154360741 495592805 /nfs/dbraw/zinc/59/28/05/495592805.db2.gz HATOLEAKYXJNJB-HNNXBMFYSA-N 2 1 354.336 3.127 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@@H](C)O ZINC000179453942 495597608 /nfs/dbraw/zinc/59/76/08/495597608.db2.gz WQVSTJMVJXQRJO-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000179453942 495597613 /nfs/dbraw/zinc/59/76/13/495597613.db2.gz WQVSTJMVJXQRJO-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000179453942 495597617 /nfs/dbraw/zinc/59/76/17/495597617.db2.gz WQVSTJMVJXQRJO-YHBROIRLSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1csc(=O)n1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158844747 495599756 /nfs/dbraw/zinc/59/97/56/495599756.db2.gz XRGZHHMVSMCWJO-MRXNPFEDSA-N 2 1 351.560 3.195 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@H](c3cccs3)C(C)(C)C)CC[C@H]21 ZINC000158871518 495605568 /nfs/dbraw/zinc/60/55/68/495605568.db2.gz ZLRDVTANSLGBBP-GPMSIDNRSA-N 2 1 363.571 3.368 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccc(F)cc4)o3)C2)CC1 ZINC000179476658 495605961 /nfs/dbraw/zinc/60/59/61/495605961.db2.gz TWQDYVPRTISOIS-IBGZPJMESA-N 2 1 357.473 3.298 20 0 FGADMP C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182555513 495613170 /nfs/dbraw/zinc/61/31/70/495613170.db2.gz BJMBLGNECFZIRH-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182555513 495613175 /nfs/dbraw/zinc/61/31/75/495613175.db2.gz BJMBLGNECFZIRH-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182555513 495613179 /nfs/dbraw/zinc/61/31/79/495613179.db2.gz BJMBLGNECFZIRH-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000574524249 505792768 /nfs/dbraw/zinc/79/27/68/505792768.db2.gz PCZNMYKCJRCGFE-JOCHJYFZSA-N 2 1 356.485 3.292 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173637306 495627033 /nfs/dbraw/zinc/62/70/33/495627033.db2.gz FENOUGHHUSJGTC-LJQANCHMSA-N 2 1 356.514 3.305 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173637306 495627040 /nfs/dbraw/zinc/62/70/40/495627040.db2.gz FENOUGHHUSJGTC-LJQANCHMSA-N 2 1 356.514 3.305 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173637306 495627046 /nfs/dbraw/zinc/62/70/46/495627046.db2.gz FENOUGHHUSJGTC-LJQANCHMSA-N 2 1 356.514 3.305 20 0 FGADMP Cn1ccnc1COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000173637306 495627049 /nfs/dbraw/zinc/62/70/49/495627049.db2.gz FENOUGHHUSJGTC-LJQANCHMSA-N 2 1 356.514 3.305 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1F ZINC000150818451 495644689 /nfs/dbraw/zinc/64/46/89/495644689.db2.gz RSOIPLDDVJSZRJ-AWEZNQCLSA-N 2 1 353.869 3.225 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182683688 495663549 /nfs/dbraw/zinc/66/35/49/495663549.db2.gz PZGZFRWAUUOHOG-RBUKOAKNSA-N 2 1 366.594 3.448 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1ccc(Cl)cn1 ZINC000185670554 495672006 /nfs/dbraw/zinc/67/20/06/495672006.db2.gz YFZOYMDKMZBTOP-KKUMJFAQSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1ccc(Cl)cn1 ZINC000185670554 495672007 /nfs/dbraw/zinc/67/20/07/495672007.db2.gz YFZOYMDKMZBTOP-KKUMJFAQSA-N 2 1 364.921 3.305 20 0 FGADMP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000185715917 495694797 /nfs/dbraw/zinc/69/47/97/495694797.db2.gz KMZDAEJRMXQKOH-CVEARBPZSA-N 2 1 350.478 3.010 20 0 FGADMP C[C@@H]([NH2+]C[C@H](O)COc1cccc2[nH]ccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185751400 495709787 /nfs/dbraw/zinc/70/97/87/495709787.db2.gz PWGWUPIOVBYTFS-LMMKCTJWSA-N 2 1 371.525 3.150 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000173858570 495722128 /nfs/dbraw/zinc/72/21/28/495722128.db2.gz GXPIOQBGIPUPAH-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CC(=O)N(C)Cc2cccc(Cl)c2)C1 ZINC000151096086 495737070 /nfs/dbraw/zinc/73/70/70/495737070.db2.gz BZZWEQSMSGWWDU-FUHWJXTLSA-N 2 1 365.949 3.399 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H]3CCC[C@H]([NH2+]CCCOC4CCOCC4)[C@@H]3C2)cc1 ZINC000183153009 495857796 /nfs/dbraw/zinc/85/77/96/495857796.db2.gz WMLGQKNWNRYRHO-MZYLBHOOSA-N 2 1 372.553 3.462 20 0 FGADMP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000155171879 495861256 /nfs/dbraw/zinc/86/12/56/495861256.db2.gz SBCCJXCJQUOZJP-GOSISDBHSA-N 2 1 368.525 3.112 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000174208708 495863887 /nfs/dbraw/zinc/86/38/87/495863887.db2.gz NDQXJCNVUYPSIP-RXVVDRJESA-N 2 1 356.510 3.243 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc3ccccc3c2)C1 ZINC000174208708 495863893 /nfs/dbraw/zinc/86/38/93/495863893.db2.gz NDQXJCNVUYPSIP-RXVVDRJESA-N 2 1 356.510 3.243 20 0 FGADMP CC[C@H](C[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1)[NH+]1CCCC1 ZINC000151702801 495924024 /nfs/dbraw/zinc/92/40/24/495924024.db2.gz GIRSWIHFOGTNOJ-LJQANCHMSA-N 2 1 363.933 3.409 20 0 FGADMP CC[N@@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486039 495980302 /nfs/dbraw/zinc/98/03/02/495980302.db2.gz APUCAPDGLBNYDU-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP CC[N@H+](Cc1cccc(C(N)=O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174486039 495980307 /nfs/dbraw/zinc/98/03/07/495980307.db2.gz APUCAPDGLBNYDU-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1cccc(C(N)=O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174486039 495980308 /nfs/dbraw/zinc/98/03/08/495980308.db2.gz APUCAPDGLBNYDU-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1cccc(C(N)=O)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174486039 495980312 /nfs/dbraw/zinc/98/03/12/495980312.db2.gz APUCAPDGLBNYDU-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](Cc3cn4ccccc4n3)CC2)C[C@@H](C)O1 ZINC000177502743 496089291 /nfs/dbraw/zinc/08/92/91/496089291.db2.gz ZQVFXDYKVMCBLW-QZTJIDSGSA-N 2 1 356.514 3.046 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000174890687 496151632 /nfs/dbraw/zinc/15/16/32/496151632.db2.gz CYEDSAQDAFPJQG-ZIFCJYIRSA-N 2 1 360.546 3.240 20 0 FGADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000174949382 496177824 /nfs/dbraw/zinc/17/78/24/496177824.db2.gz VQERHWQVQFBNBW-IRLDBZIGSA-N 2 1 365.521 3.270 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000174949382 496177831 /nfs/dbraw/zinc/17/78/31/496177831.db2.gz VQERHWQVQFBNBW-IRLDBZIGSA-N 2 1 365.521 3.270 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCCC[NH+]2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000172249728 496228568 /nfs/dbraw/zinc/22/85/68/496228568.db2.gz DJALIOBDZZDHTI-SFHVURJKSA-N 2 1 374.529 3.077 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000172258588 496233711 /nfs/dbraw/zinc/23/37/11/496233711.db2.gz UWLIVPBTWPJAJI-DLBZAZTESA-N 2 1 371.529 3.256 20 0 FGADMP C[C@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000161958899 496270706 /nfs/dbraw/zinc/27/07/06/496270706.db2.gz DFMOHMURHJYFRJ-LJQANCHMSA-N 2 1 374.573 3.270 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000152881357 496284465 /nfs/dbraw/zinc/28/44/65/496284465.db2.gz APFUNKPAYDRSJE-NQIIRXRSSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000152881357 496284468 /nfs/dbraw/zinc/28/44/68/496284468.db2.gz APFUNKPAYDRSJE-NQIIRXRSSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152881357 496284476 /nfs/dbraw/zinc/28/44/76/496284476.db2.gz APFUNKPAYDRSJE-NQIIRXRSSA-N 2 1 355.526 3.126 20 0 FGADMP CC[C@@H](C(=O)N1CCC(C[NH+](C)C(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000569055731 505839686 /nfs/dbraw/zinc/83/96/86/505839686.db2.gz PNOKCUPFKHIFEL-NRFANRHFSA-N 2 1 359.558 3.476 20 0 FGADMP CC[C@@H](C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000569055731 505839690 /nfs/dbraw/zinc/83/96/90/505839690.db2.gz PNOKCUPFKHIFEL-NRFANRHFSA-N 2 1 359.558 3.476 20 0 FGADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+](C)Cc1ccccc1 ZINC000569055731 505839695 /nfs/dbraw/zinc/83/96/95/505839695.db2.gz PNOKCUPFKHIFEL-NRFANRHFSA-N 2 1 359.558 3.476 20 0 FGADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000156773272 496331628 /nfs/dbraw/zinc/33/16/28/496331628.db2.gz XJJWRIBUEFAMIF-UHFFFAOYSA-N 2 1 351.922 3.266 20 0 FGADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000156773272 496331630 /nfs/dbraw/zinc/33/16/30/496331630.db2.gz XJJWRIBUEFAMIF-UHFFFAOYSA-N 2 1 351.922 3.266 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000187196786 496334504 /nfs/dbraw/zinc/33/45/04/496334504.db2.gz ZTTNICVHWJVQBI-OAQYLSRUSA-N 2 1 359.558 3.338 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000577998541 505838453 /nfs/dbraw/zinc/83/84/53/505838453.db2.gz VMAJFUPPKDUYPG-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000577998541 505838456 /nfs/dbraw/zinc/83/84/56/505838456.db2.gz VMAJFUPPKDUYPG-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H](CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000175348280 496349663 /nfs/dbraw/zinc/34/96/63/496349663.db2.gz UUAGBPMKDQZBNA-GOSISDBHSA-N 2 1 374.573 3.459 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2Br)C1 ZINC000162471587 496358441 /nfs/dbraw/zinc/35/84/41/496358441.db2.gz BPKYNMPBLQHKHR-KCYZZUKISA-N 2 1 366.347 3.346 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000580813757 505844133 /nfs/dbraw/zinc/84/41/33/505844133.db2.gz NCZBIDFMUBCBCK-NVXWUHKLSA-N 2 1 362.433 3.110 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2)CCN1Cc1ccccc1 ZINC000156976012 496377733 /nfs/dbraw/zinc/37/77/33/496377733.db2.gz WZMACBRFRBGGQH-FCEUIQTBSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000156976012 496377735 /nfs/dbraw/zinc/37/77/35/496377735.db2.gz WZMACBRFRBGGQH-FCEUIQTBSA-N 2 1 368.521 3.411 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2)CC[NH+]1Cc1ccccc1 ZINC000156976012 496377740 /nfs/dbraw/zinc/37/77/40/496377740.db2.gz WZMACBRFRBGGQH-FCEUIQTBSA-N 2 1 368.521 3.411 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000175533737 496429911 /nfs/dbraw/zinc/42/99/11/496429911.db2.gz NDDIUTDEMQMZJK-HDICACEKSA-N 2 1 363.550 3.029 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000175533737 496429917 /nfs/dbraw/zinc/42/99/17/496429917.db2.gz NDDIUTDEMQMZJK-HDICACEKSA-N 2 1 363.550 3.029 20 0 FGADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000178615470 496516936 /nfs/dbraw/zinc/51/69/36/496516936.db2.gz WOMWIHKVABLOCX-UHFFFAOYSA-N 2 1 366.469 3.144 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)c3ccc4c[nH+]cn4c3)C2)s1 ZINC000580838489 505850082 /nfs/dbraw/zinc/85/00/82/505850082.db2.gz AVPPFUKWXHZHIO-MRXNPFEDSA-N 2 1 368.506 3.298 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)c1 ZINC000163646114 496541679 /nfs/dbraw/zinc/54/16/79/496541679.db2.gz KVHCTTJCJCDNRZ-LJQANCHMSA-N 2 1 364.530 3.079 20 0 FGADMP CC(C)([NH3+])CC(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000178705973 496546714 /nfs/dbraw/zinc/54/67/14/496546714.db2.gz JDQUMLVDDGCITJ-KRWDZBQOSA-N 2 1 357.523 3.091 20 0 FGADMP CC(C)([NH3+])CC(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000178705973 496546719 /nfs/dbraw/zinc/54/67/19/496546719.db2.gz JDQUMLVDDGCITJ-KRWDZBQOSA-N 2 1 357.523 3.091 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000569095510 505851686 /nfs/dbraw/zinc/85/16/86/505851686.db2.gz RNMQRLNQESPGCA-GHTZIAJQSA-N 2 1 354.494 3.242 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580843186 505851816 /nfs/dbraw/zinc/85/18/16/505851816.db2.gz BMNHYRGSNJAEQP-IEBWSBKVSA-N 2 1 367.896 3.261 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000580843186 505851819 /nfs/dbraw/zinc/85/18/19/505851819.db2.gz BMNHYRGSNJAEQP-IEBWSBKVSA-N 2 1 367.896 3.261 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136776 496564808 /nfs/dbraw/zinc/56/48/08/496564808.db2.gz MULAYHLHGBZNNJ-SQGPQFPESA-N 2 1 374.529 3.026 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136776 496564814 /nfs/dbraw/zinc/56/48/14/496564814.db2.gz MULAYHLHGBZNNJ-SQGPQFPESA-N 2 1 374.529 3.026 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000157855788 496570840 /nfs/dbraw/zinc/57/08/40/496570840.db2.gz FVNMYRJWFJZMAX-IRXDYDNUSA-N 2 1 352.544 3.395 20 0 FGADMP CC(C)N1CCC([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000163936338 496571729 /nfs/dbraw/zinc/57/17/29/496571729.db2.gz MIRKCMNOFBLPPS-UHFFFAOYSA-N 2 1 372.601 3.047 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000181885340 496586282 /nfs/dbraw/zinc/58/62/82/496586282.db2.gz YRCIDKPECOTWTQ-UHFFFAOYSA-N 2 1 350.890 3.434 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C12CCCC2 ZINC000181947763 496609699 /nfs/dbraw/zinc/60/96/99/496609699.db2.gz AHRSCKXYXKANKT-RBUKOAKNSA-N 2 1 350.547 3.349 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000153963300 496637679 /nfs/dbraw/zinc/63/76/79/496637679.db2.gz QKBSBCBDYFZWKE-OALUTQOASA-N 2 1 363.521 3.085 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1F ZINC000166032040 496676729 /nfs/dbraw/zinc/67/67/29/496676729.db2.gz WEXQXQMSTDRUNX-AEFFLSMTSA-N 2 1 358.461 3.234 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803136 505858938 /nfs/dbraw/zinc/85/89/38/505858938.db2.gz IIFMIVIKVKPCGX-HCLVMJGWSA-N 2 1 363.505 3.372 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Cn1c2ccccc2c2ccccc21 ZINC000574803136 505858941 /nfs/dbraw/zinc/85/89/41/505858941.db2.gz IIFMIVIKVKPCGX-HCLVMJGWSA-N 2 1 363.505 3.372 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1CCC[NH2+]C1 ZINC000166689964 496691365 /nfs/dbraw/zinc/69/13/65/496691365.db2.gz YSAWDRCLXLOQGK-DLBZAZTESA-N 2 1 361.555 3.200 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc(F)cc1N(C)C ZINC000182260840 496721959 /nfs/dbraw/zinc/72/19/59/496721959.db2.gz PAFQSMGGCYFXGK-UZLBHIALSA-N 2 1 371.500 3.309 20 0 FGADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000182272197 496724404 /nfs/dbraw/zinc/72/44/04/496724404.db2.gz RYJLHEYKAXBVEG-NZQKXSOJSA-N 2 1 366.505 3.429 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000273241820 496750140 /nfs/dbraw/zinc/75/01/40/496750140.db2.gz QIAOVNMWZWCOLE-HOTGVXAUSA-N 2 1 351.560 3.243 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000247061319 496766455 /nfs/dbraw/zinc/76/64/55/496766455.db2.gz ZTLADUYNOBCCCD-QSFXBCCZSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000247061319 496766457 /nfs/dbraw/zinc/76/64/57/496766457.db2.gz ZTLADUYNOBCCCD-QSFXBCCZSA-N 2 1 364.917 3.028 20 0 FGADMP O[C@H](COc1ccc(Cl)cc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000247061319 496766460 /nfs/dbraw/zinc/76/64/60/496766460.db2.gz ZTLADUYNOBCCCD-QSFXBCCZSA-N 2 1 364.917 3.028 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C[C@@H]1C ZINC000574835230 505864666 /nfs/dbraw/zinc/86/46/66/505864666.db2.gz BLCFLOULYFEXIL-IZZBFERCSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C[C@@H]1C ZINC000574835230 505864669 /nfs/dbraw/zinc/86/46/69/505864669.db2.gz BLCFLOULYFEXIL-IZZBFERCSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C[C@@H]1C ZINC000574835230 505864670 /nfs/dbraw/zinc/86/46/70/505864670.db2.gz BLCFLOULYFEXIL-IZZBFERCSA-N 2 1 372.557 3.164 20 0 FGADMP COc1cccc2c1CCC[C@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000194957065 496773686 /nfs/dbraw/zinc/77/36/86/496773686.db2.gz NMFIGQMFXOCXHU-SIKLNZKXSA-N 2 1 366.505 3.429 20 0 FGADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000268772878 496779579 /nfs/dbraw/zinc/77/95/79/496779579.db2.gz AIEHZAPXDYQZBN-OXJNMPFZSA-N 2 1 355.482 3.030 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NCc3ccco3)c2)[C@@H](C)C1 ZINC000268772878 496779585 /nfs/dbraw/zinc/77/95/85/496779585.db2.gz AIEHZAPXDYQZBN-OXJNMPFZSA-N 2 1 355.482 3.030 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NC(=O)c3ccncc3)cc2)[C@@H](C)C1 ZINC000268777928 496782625 /nfs/dbraw/zinc/78/26/25/496782625.db2.gz BBBMTLRUHNLBAI-OXJNMPFZSA-N 2 1 352.482 3.154 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783149 496784518 /nfs/dbraw/zinc/78/45/18/496784518.db2.gz JGODFSHLRGYXQZ-UTKZUKDTSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1F ZINC000268783149 496784526 /nfs/dbraw/zinc/78/45/26/496784526.db2.gz JGODFSHLRGYXQZ-UTKZUKDTSA-N 2 1 369.484 3.056 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccc2c(c1)COC2 ZINC000268784694 496785323 /nfs/dbraw/zinc/78/53/23/496785323.db2.gz JVQQPICEOCVKNY-GOSISDBHSA-N 2 1 365.521 3.315 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268795897 496788942 /nfs/dbraw/zinc/78/89/42/496788942.db2.gz ZTRJCCAYYIUDKP-WIYYLYMNSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000268795897 496788951 /nfs/dbraw/zinc/78/89/51/496788951.db2.gz ZTRJCCAYYIUDKP-WIYYLYMNSA-N 2 1 357.542 3.134 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843047 496802139 /nfs/dbraw/zinc/80/21/39/496802139.db2.gz BAKBMVVAZYJMID-RBDMOPTHSA-N 2 1 354.494 3.371 20 0 FGADMP COc1cccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000268843047 496802145 /nfs/dbraw/zinc/80/21/45/496802145.db2.gz BAKBMVVAZYJMID-RBDMOPTHSA-N 2 1 354.494 3.371 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@@H+]1C ZINC000268865444 496809159 /nfs/dbraw/zinc/80/91/59/496809159.db2.gz HGKPLZJDMSLJBW-QLFBSQMISA-N 2 1 357.420 3.236 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@H+]1C ZINC000268865444 496809163 /nfs/dbraw/zinc/80/91/63/496809163.db2.gz HGKPLZJDMSLJBW-QLFBSQMISA-N 2 1 357.420 3.236 20 0 FGADMP C[C@@H]1C[C@@H](NCC2([NH+]3CCCC3)CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000268921532 496823804 /nfs/dbraw/zinc/82/38/04/496823804.db2.gz WVLSDFYGZLUFIK-IRLDBZIGSA-N 2 1 371.569 3.274 20 0 FGADMP Fc1cc(F)cc(C2CC([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1 ZINC000580919324 505868431 /nfs/dbraw/zinc/86/84/31/505868431.db2.gz FDBJKNYKBSHSDU-UHFFFAOYSA-N 2 1 350.453 3.445 20 0 FGADMP C[C@@H](C(=O)NCc1ccccc1Cl)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000247342652 496840415 /nfs/dbraw/zinc/84/04/15/496840415.db2.gz GSLPHLRAJWICOU-RVKKMQEKSA-N 2 1 360.889 3.124 20 0 FGADMP C[C@@H]1C[C@@H](NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268976388 496840636 /nfs/dbraw/zinc/84/06/36/496840636.db2.gz BSUNOSSQXKVJCB-NWSQWKLXSA-N 2 1 371.569 3.130 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195304302 496882489 /nfs/dbraw/zinc/88/24/89/496882489.db2.gz AUVWXAPFGDMUMJ-QFIPXVFZSA-N 2 1 365.521 3.379 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247549213 496886338 /nfs/dbraw/zinc/88/63/38/496886338.db2.gz PUANUEVKSYMWRN-DWLFOUALSA-N 2 1 360.542 3.105 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C1 ZINC000247549213 496886343 /nfs/dbraw/zinc/88/63/43/496886343.db2.gz PUANUEVKSYMWRN-DWLFOUALSA-N 2 1 360.542 3.105 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000191936031 496935822 /nfs/dbraw/zinc/93/58/22/496935822.db2.gz YEWAZYGSKSHMIZ-UHFFFAOYSA-N 2 1 352.404 3.251 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1CN1CCCN(CC(F)(F)F)CC1 ZINC000191936031 496935828 /nfs/dbraw/zinc/93/58/28/496935828.db2.gz YEWAZYGSKSHMIZ-UHFFFAOYSA-N 2 1 352.404 3.251 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000277935346 496942791 /nfs/dbraw/zinc/94/27/91/496942791.db2.gz IGOCOMGCDXBNMF-UHFFFAOYSA-N 2 1 374.529 3.206 20 0 FGADMP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000248040035 496946140 /nfs/dbraw/zinc/94/61/40/496946140.db2.gz SMLKGKFZYLOLQR-NZQKXSOJSA-N 2 1 366.553 3.404 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127645 496959101 /nfs/dbraw/zinc/95/91/01/496959101.db2.gz OCICMPDKYJMKIE-JTDSTZFVSA-N 2 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127645 496959105 /nfs/dbraw/zinc/95/91/05/496959105.db2.gz OCICMPDKYJMKIE-JTDSTZFVSA-N 3 1 364.603 3.236 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000248127645 496959106 /nfs/dbraw/zinc/95/91/06/496959106.db2.gz OCICMPDKYJMKIE-JTDSTZFVSA-N 3 1 364.603 3.236 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000269511855 496962084 /nfs/dbraw/zinc/96/20/84/496962084.db2.gz OVLGTQQWVSRYGJ-QMMLZNLJSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269566981 496972221 /nfs/dbraw/zinc/97/22/21/496972221.db2.gz FQZHWUPANOXNQJ-UHFFFAOYSA-N 2 1 354.498 3.340 20 0 FGADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccc(F)cc1 ZINC000189052732 496992345 /nfs/dbraw/zinc/99/23/45/496992345.db2.gz JPAHFGLVYYPSSE-OAQYLSRUSA-N 2 1 373.516 3.313 20 0 FGADMP CCS[C@@H]1CC[C@H]([N@@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248396922 496994734 /nfs/dbraw/zinc/99/47/34/496994734.db2.gz KUUZBQZJPCHVFG-IPMKNSEASA-N 2 1 363.571 3.012 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)[C@H]1CCc2ccccc21)c1ccccc1 ZINC000248399219 496995863 /nfs/dbraw/zinc/99/58/63/496995863.db2.gz ONKVZQHUFNCKCV-SFTDATJTSA-N 2 1 351.494 3.025 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H](O)Cc1ccccc1 ZINC000248418790 497004995 /nfs/dbraw/zinc/00/49/95/497004995.db2.gz TZHZAYOXYRPJRU-PCYHMHGQSA-N 2 1 364.533 3.479 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000248545502 497035770 /nfs/dbraw/zinc/03/57/70/497035770.db2.gz DLDKSNKGRQTQTN-LNLFQRSKSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000248545502 497035771 /nfs/dbraw/zinc/03/57/71/497035771.db2.gz DLDKSNKGRQTQTN-LNLFQRSKSA-N 2 1 371.525 3.043 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000189257934 497061582 /nfs/dbraw/zinc/06/15/82/497061582.db2.gz BVWVFYREAAUAGY-UHFFFAOYSA-N 2 1 370.266 3.494 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000189257934 497061588 /nfs/dbraw/zinc/06/15/88/497061588.db2.gz BVWVFYREAAUAGY-UHFFFAOYSA-N 2 1 370.266 3.494 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc(Br)c3)CC[C@H]21 ZINC000227343795 497087669 /nfs/dbraw/zinc/08/76/69/497087669.db2.gz CUYIHLDVASZGRX-WMLDXEAASA-N 2 1 353.304 3.244 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000278388447 497098297 /nfs/dbraw/zinc/09/82/97/497098297.db2.gz CSHKAYLAYWOSNE-OALUTQOASA-N 2 1 361.530 3.111 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000278388447 497098304 /nfs/dbraw/zinc/09/83/04/497098304.db2.gz CSHKAYLAYWOSNE-OALUTQOASA-N 2 1 361.530 3.111 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000248789073 497105098 /nfs/dbraw/zinc/10/50/98/497105098.db2.gz IOGTYAVMYRGKPC-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000248789073 497105100 /nfs/dbraw/zinc/10/51/00/497105100.db2.gz IOGTYAVMYRGKPC-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000248789073 497105101 /nfs/dbraw/zinc/10/51/01/497105101.db2.gz IOGTYAVMYRGKPC-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP COC(=O)C1CCC([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192440618 497116003 /nfs/dbraw/zinc/11/60/03/497116003.db2.gz LUWCILSEOHNNMO-JOIKAWEESA-N 2 1 374.525 3.117 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248882821 497125325 /nfs/dbraw/zinc/12/53/25/497125325.db2.gz RUWDVHWIYFWMRZ-PKOBYXMFSA-N 2 1 354.498 3.033 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000248882821 497125330 /nfs/dbraw/zinc/12/53/30/497125330.db2.gz RUWDVHWIYFWMRZ-PKOBYXMFSA-N 2 1 354.498 3.033 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236655322 497127365 /nfs/dbraw/zinc/12/73/65/497127365.db2.gz FTAQLOHHQOOXHO-LAUBAEHRSA-N 2 1 353.510 3.479 20 0 FGADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@@H+]1CCc2sccc2C1 ZINC000236694099 497133974 /nfs/dbraw/zinc/13/39/74/497133974.db2.gz GTNRXRATAOYNMG-IEBWSBKVSA-N 2 1 371.550 3.337 20 0 FGADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[N@H+]1CCc2sccc2C1 ZINC000236694099 497133979 /nfs/dbraw/zinc/13/39/79/497133979.db2.gz GTNRXRATAOYNMG-IEBWSBKVSA-N 2 1 371.550 3.337 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000237002928 497178487 /nfs/dbraw/zinc/17/84/87/497178487.db2.gz KDQXLOSWWIULOJ-YOEHRIQHSA-N 2 1 371.447 3.113 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000237002928 497178489 /nfs/dbraw/zinc/17/84/89/497178489.db2.gz KDQXLOSWWIULOJ-YOEHRIQHSA-N 2 1 371.447 3.113 20 0 FGADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249213379 497181773 /nfs/dbraw/zinc/18/17/73/497181773.db2.gz ZAOOYBFBWIMFTH-MYDTUXCISA-N 2 1 350.506 3.090 20 0 FGADMP C[NH2+]CCCC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000237152864 497198146 /nfs/dbraw/zinc/19/81/46/497198146.db2.gz BOAGZDOHUFXGJU-UHFFFAOYSA-N 2 1 358.313 3.074 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000237152978 497198448 /nfs/dbraw/zinc/19/84/48/497198448.db2.gz AZCZKTXEUUWMFX-JOCHJYFZSA-N 2 1 357.542 3.457 20 0 FGADMP CCc1nc2c(s1)[C@H]([N@@H+](C)CCCN1CC[NH+](C(C)C)CC1)CCC2 ZINC000192773497 497211058 /nfs/dbraw/zinc/21/10/58/497211058.db2.gz LCBKMXQDXWZPSA-GOSISDBHSA-N 2 1 364.603 3.431 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3OC(F)F)CC2)CC1 ZINC000270915657 497225433 /nfs/dbraw/zinc/22/54/33/497225433.db2.gz OLIDSVAEQWYKEG-UHFFFAOYSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000237492923 497245447 /nfs/dbraw/zinc/24/54/47/497245447.db2.gz RDGNLNMCWOLLSI-RXVVDRJESA-N 2 1 351.494 3.027 20 0 FGADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927543 497248237 /nfs/dbraw/zinc/24/82/37/497248237.db2.gz RNQKNHWVPLQKAX-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C3CCN(Cc4ccccn4)CC3)C2)cc1 ZINC000192934896 497251360 /nfs/dbraw/zinc/25/13/60/497251360.db2.gz CSOPDWUEZFGURL-NRFANRHFSA-N 2 1 364.537 3.158 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccccc1Br ZINC000271051728 497254750 /nfs/dbraw/zinc/25/47/50/497254750.db2.gz XJGSCDMOGBRCME-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccccc1Br ZINC000271051728 497254745 /nfs/dbraw/zinc/25/47/45/497254745.db2.gz XJGSCDMOGBRCME-MRXNPFEDSA-N 2 1 352.276 3.010 20 0 FGADMP C[C@H](CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CC[NH2+]CC1 ZINC000237657769 497270767 /nfs/dbraw/zinc/27/07/67/497270767.db2.gz ITPHAGZPJNCUSG-MDYRTPRTSA-N 2 1 363.571 3.273 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000251566781 497277581 /nfs/dbraw/zinc/27/75/81/497277581.db2.gz HCBZXJPHRKZOSH-IFMALSPDSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](C)C[C@H]1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)C1 ZINC000251566781 497277585 /nfs/dbraw/zinc/27/75/85/497277585.db2.gz HCBZXJPHRKZOSH-IFMALSPDSA-N 2 1 372.557 3.024 20 0 FGADMP [NH3+]Cc1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)cc1 ZINC000238063762 497334954 /nfs/dbraw/zinc/33/49/54/497334954.db2.gz PCQPSMYMHWBUNL-UHFFFAOYSA-N 2 1 359.473 3.257 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)c2cnccc2C)CC1 ZINC000271454183 497353185 /nfs/dbraw/zinc/35/31/85/497353185.db2.gz OPYHQSUVJOVCDF-IBGZPJMESA-N 2 1 352.526 3.378 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCCCCn1cc[nH+]c1C ZINC000266533137 497365913 /nfs/dbraw/zinc/36/59/13/497365913.db2.gz QMEDVFHYHOBQRR-UHFFFAOYSA-N 2 1 371.529 3.313 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000255903920 497377707 /nfs/dbraw/zinc/37/77/07/497377707.db2.gz YMWDPTMIFLSSOI-VAMGGRTRSA-N 2 1 366.594 3.308 20 0 FGADMP [NH3+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000572156450 505903277 /nfs/dbraw/zinc/90/32/77/505903277.db2.gz LUPIJRQMKONWHT-ZHALLVOQSA-N 2 1 372.557 3.375 20 0 FGADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000193474687 497390290 /nfs/dbraw/zinc/39/02/90/497390290.db2.gz WMGWIKYCZXWJRZ-UHFFFAOYSA-N 2 1 352.910 3.117 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245426719 497399012 /nfs/dbraw/zinc/39/90/12/497399012.db2.gz VGZWFLAJFQQCBX-FPOVZHCZSA-N 2 1 373.516 3.125 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245426719 497399021 /nfs/dbraw/zinc/39/90/21/497399021.db2.gz VGZWFLAJFQQCBX-FPOVZHCZSA-N 2 1 373.516 3.125 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000190238013 497409870 /nfs/dbraw/zinc/40/98/70/497409870.db2.gz PPMKYOQMAFYSJD-OALUTQOASA-N 2 1 364.578 3.157 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468137 497421393 /nfs/dbraw/zinc/42/13/93/497421393.db2.gz ZTKONHVLBGQXOY-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468137 497421398 /nfs/dbraw/zinc/42/13/98/497421398.db2.gz ZTKONHVLBGQXOY-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468137 497421400 /nfs/dbraw/zinc/42/14/00/497421400.db2.gz ZTKONHVLBGQXOY-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000245468137 497421405 /nfs/dbraw/zinc/42/14/05/497421405.db2.gz ZTKONHVLBGQXOY-DENIHFKCSA-N 2 1 368.521 3.367 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@H+]1C ZINC000279553541 497470109 /nfs/dbraw/zinc/47/01/09/497470109.db2.gz XWAFIFGOOQMXCT-HHXCZETCSA-N 2 1 355.526 3.029 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH+]1C ZINC000279553541 497470112 /nfs/dbraw/zinc/47/01/12/497470112.db2.gz XWAFIFGOOQMXCT-HHXCZETCSA-N 2 1 355.526 3.029 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH+]1C ZINC000279553541 497470117 /nfs/dbraw/zinc/47/01/17/497470117.db2.gz XWAFIFGOOQMXCT-HHXCZETCSA-N 2 1 355.526 3.029 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262002254 497490454 /nfs/dbraw/zinc/49/04/54/497490454.db2.gz UEQGYMHRTYKMAP-CJNGLKHVSA-N 2 1 370.278 3.428 20 0 FGADMP Ic1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262002254 497490457 /nfs/dbraw/zinc/49/04/57/497490457.db2.gz UEQGYMHRTYKMAP-CJNGLKHVSA-N 2 1 370.278 3.428 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000245680573 497499707 /nfs/dbraw/zinc/49/97/07/497499707.db2.gz GKRMFKFRDVLNAP-LEWJYISDSA-N 2 1 372.557 3.339 20 0 FGADMP C[N@@H+](CCOc1cc(F)cc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262120313 497512331 /nfs/dbraw/zinc/51/23/31/497512331.db2.gz LWHVBVNEZUVUEK-YIONKMFJSA-N 2 1 357.267 3.182 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(-c2ccccc2)nn1C ZINC000578312771 505911605 /nfs/dbraw/zinc/91/16/05/505911605.db2.gz NVJKUVXSWGPPHP-XUEUYAKLSA-N 2 1 368.525 3.116 20 0 FGADMP OCCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245716373 497514036 /nfs/dbraw/zinc/51/40/36/497514036.db2.gz ODOBDSZLFMRUPY-KOUNCHBCSA-N 2 1 366.505 3.343 20 0 FGADMP OCCOc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245716373 497514040 /nfs/dbraw/zinc/51/40/40/497514040.db2.gz ODOBDSZLFMRUPY-KOUNCHBCSA-N 2 1 366.505 3.343 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000267312981 497523968 /nfs/dbraw/zinc/52/39/68/497523968.db2.gz CFADBXQOUBJCIP-NQIIRXRSSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000193932360 497524244 /nfs/dbraw/zinc/52/42/44/497524244.db2.gz QSOUGYXQNGIWSL-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193932360 497524248 /nfs/dbraw/zinc/52/42/48/497524248.db2.gz QSOUGYXQNGIWSL-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000193932360 497524252 /nfs/dbraw/zinc/52/42/52/497524252.db2.gz QSOUGYXQNGIWSL-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)C[NH+]1CCO[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767662 497533227 /nfs/dbraw/zinc/53/32/27/497533227.db2.gz WQHANESJGAKVSA-KAOXLYBCSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245767662 497533232 /nfs/dbraw/zinc/53/32/32/497533232.db2.gz WQHANESJGAKVSA-KAOXLYBCSA-N 2 1 371.569 3.128 20 0 FGADMP CC(C)CN1CCO[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245767662 497533236 /nfs/dbraw/zinc/53/32/36/497533236.db2.gz WQHANESJGAKVSA-KAOXLYBCSA-N 2 1 371.569 3.128 20 0 FGADMP COc1cc(Br)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262312512 497538757 /nfs/dbraw/zinc/53/87/57/497538757.db2.gz PWSWHCLAYAEGNS-NJZAAPMLSA-N 2 1 369.303 3.026 20 0 FGADMP COc1cc(Br)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262312512 497538763 /nfs/dbraw/zinc/53/87/63/497538763.db2.gz PWSWHCLAYAEGNS-NJZAAPMLSA-N 2 1 369.303 3.026 20 0 FGADMP O[C@@H](COCc1cccs1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245834706 497546041 /nfs/dbraw/zinc/54/60/41/497546041.db2.gz BUSBRMLSGXLTSA-RBUKOAKNSA-N 2 1 366.571 3.214 20 0 FGADMP O[C@@H](COCc1cccs1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000245834706 497546045 /nfs/dbraw/zinc/54/60/45/497546045.db2.gz BUSBRMLSGXLTSA-RBUKOAKNSA-N 2 1 366.571 3.214 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)c1cccc(CO)c1 ZINC000245836743 497546802 /nfs/dbraw/zinc/54/68/02/497546802.db2.gz CTCGVJCBLKYKLV-ZWKOTPCHSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)c1cccc(CO)c1 ZINC000245836743 497546804 /nfs/dbraw/zinc/54/68/04/497546804.db2.gz CTCGVJCBLKYKLV-ZWKOTPCHSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H](O)CC3CCCC3)CC2)C[C@H](C)O1 ZINC000190651606 497560336 /nfs/dbraw/zinc/56/03/36/497560336.db2.gz QLKUOURNUNAYQG-LVCYWYKZSA-N 2 1 352.563 3.139 20 0 FGADMP C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1C[NH+]1CCC[C@H]1C[C@H](C)O ZINC000245919548 497571496 /nfs/dbraw/zinc/57/14/96/497571496.db2.gz WQVSTJMVJXQRJO-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000245919548 497571500 /nfs/dbraw/zinc/57/15/00/497571500.db2.gz WQVSTJMVJXQRJO-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@H](O)C[C@H]1CCC[NH+]1Cc1ccccc1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000245919548 497571503 /nfs/dbraw/zinc/57/15/03/497571503.db2.gz WQVSTJMVJXQRJO-YHDSQAASSA-N 2 1 360.542 3.157 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000272232140 497572039 /nfs/dbraw/zinc/57/20/39/497572039.db2.gz URPGBWVNWFIPSJ-OXJNMPFZSA-N 2 1 363.509 3.277 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1nc2ccc(Cl)cc2n1C ZINC000245942561 497579960 /nfs/dbraw/zinc/57/99/60/497579960.db2.gz BACAGMKTPCRLNG-HOCLYGCPSA-N 2 1 364.921 3.114 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000262626374 497586718 /nfs/dbraw/zinc/58/67/18/497586718.db2.gz BVDUDOGCLOJXCP-FSSWDIPSSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262648980 497590788 /nfs/dbraw/zinc/59/07/88/497590788.db2.gz QCMQMPGLPBZSNB-IPJJNNNSSA-N 2 1 365.521 3.446 20 0 FGADMP CCC(CC)(CNC(=O)c1csc(C[NH3+])n1)[NH2+][C@H](C)c1ccccc1 ZINC000262660897 497594769 /nfs/dbraw/zinc/59/47/69/497594769.db2.gz FYJVQOSEQUSQDJ-CQSZACIVSA-N 2 1 360.527 3.241 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262737739 497612518 /nfs/dbraw/zinc/61/25/18/497612518.db2.gz CHISMUQOCFWILC-RBBKRZOGSA-N 2 1 357.542 3.265 20 0 FGADMP COC(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000272384260 497614216 /nfs/dbraw/zinc/61/42/16/497614216.db2.gz FTQXQOVYDIKZFX-OWZKRDHZSA-N 2 1 357.498 3.002 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000246106896 497624430 /nfs/dbraw/zinc/62/44/30/497624430.db2.gz RGKGKSXPKNWGNH-TWOQFEAHSA-N 2 1 369.513 3.366 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246106896 497624434 /nfs/dbraw/zinc/62/44/34/497624434.db2.gz RGKGKSXPKNWGNH-TWOQFEAHSA-N 2 1 369.513 3.366 20 0 FGADMP CCN(C)c1ccc(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000190870217 497628419 /nfs/dbraw/zinc/62/84/19/497628419.db2.gz ZLPQGLRVBHIXKH-UHFFFAOYSA-N 2 1 353.445 3.461 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303695 497629269 /nfs/dbraw/zinc/62/92/69/497629269.db2.gz CTKZCFLBDUBYSO-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000276728338 497637828 /nfs/dbraw/zinc/63/78/28/497637828.db2.gz YGCRMEGOEXLQDK-OALUTQOASA-N 2 1 369.553 3.101 20 0 FGADMP C[C@@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C(C)(C)C[NH+](C)C ZINC000246159806 497642370 /nfs/dbraw/zinc/64/23/70/497642370.db2.gz DWANTWZCNXRCPY-GUDVDZBRSA-N 2 1 366.594 3.259 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000246166841 497644910 /nfs/dbraw/zinc/64/49/10/497644910.db2.gz FPBOYYHLSPHNNI-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)C2)[nH+]1 ZINC000246205918 497660327 /nfs/dbraw/zinc/66/03/27/497660327.db2.gz YJULRJAQAYRRLK-YSHGAJCASA-N 2 1 358.530 3.207 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)NCc2ccc(F)cc2)CC1 ZINC000268077022 497673704 /nfs/dbraw/zinc/67/37/04/497673704.db2.gz FCVGKYUVYXRMPN-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP Cc1ccc(F)cc1NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246276289 497680986 /nfs/dbraw/zinc/68/09/86/497680986.db2.gz APPXOQGJMIAHQW-TWOQFEAHSA-N 2 1 359.489 3.410 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC2(C)CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000272672764 497697941 /nfs/dbraw/zinc/69/79/41/497697941.db2.gz PYJKHURBSPSPKH-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(NS(C)(=O)=O)cc2)C1 ZINC000246384178 497716046 /nfs/dbraw/zinc/71/60/46/497716046.db2.gz KHBHYXKJAJPMFV-IAGOWNOFSA-N 2 1 367.559 3.077 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246410031 497724532 /nfs/dbraw/zinc/72/45/32/497724532.db2.gz KWJIUITUUAEXLQ-BVSLBCMMSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246410031 497724533 /nfs/dbraw/zinc/72/45/33/497724533.db2.gz KWJIUITUUAEXLQ-BVSLBCMMSA-N 2 1 367.537 3.126 20 0 FGADMP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246410031 497724534 /nfs/dbraw/zinc/72/45/34/497724534.db2.gz KWJIUITUUAEXLQ-BVSLBCMMSA-N 2 1 367.537 3.126 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000272859872 497746677 /nfs/dbraw/zinc/74/66/77/497746677.db2.gz ICDAQTCDEFGVFS-KRWDZBQOSA-N 2 1 374.529 3.179 20 0 FGADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246522089 497762443 /nfs/dbraw/zinc/76/24/43/497762443.db2.gz URPBMKPNDKOLID-DZGCQCFKSA-N 2 1 368.319 3.158 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000581186292 505929542 /nfs/dbraw/zinc/92/95/42/505929542.db2.gz PMZJHEUZLPGTBG-LPHOPBHVSA-N 2 1 359.514 3.155 20 0 FGADMP CC(C)[C@H](NC(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1)c1ccc(F)cc1 ZINC000246608450 497788319 /nfs/dbraw/zinc/78/83/19/497788319.db2.gz PLCCYSLKOPYQRM-LRQRDZAKSA-N 2 1 372.488 3.419 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000263571187 497801154 /nfs/dbraw/zinc/80/11/54/497801154.db2.gz JBUURKAVOLJENG-UHFFFAOYSA-N 2 1 373.541 3.013 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccc(C(=O)[O-])cc1 ZINC000263571187 497801156 /nfs/dbraw/zinc/80/11/56/497801156.db2.gz JBUURKAVOLJENG-UHFFFAOYSA-N 2 1 373.541 3.013 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246816608 497813256 /nfs/dbraw/zinc/81/32/56/497813256.db2.gz NNWGMLCMMUSCNM-RBBKRZOGSA-N 2 1 369.553 3.372 20 0 FGADMP O=C1[C@H](N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CCCN1c1cccc(F)c1 ZINC000246937768 497821202 /nfs/dbraw/zinc/82/12/02/497821202.db2.gz UBFAQKSCZADJRS-ZLGUVYLKSA-N 2 1 371.500 3.270 20 0 FGADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000295908947 497850153 /nfs/dbraw/zinc/85/01/53/497850153.db2.gz JAPRZAXJEFGUEA-KRWDZBQOSA-N 2 1 374.529 3.483 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000288802081 497903769 /nfs/dbraw/zinc/90/37/69/497903769.db2.gz DDBSGPYURHLZJG-JWTNVVGKSA-N 2 1 362.514 3.420 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000288802081 497903774 /nfs/dbraw/zinc/90/37/74/497903774.db2.gz DDBSGPYURHLZJG-JWTNVVGKSA-N 2 1 362.514 3.420 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCS(=O)(=O)c3c(F)cccc32)C1 ZINC000364363447 497921669 /nfs/dbraw/zinc/92/16/69/497921669.db2.gz MCRCEFMGSIPKQX-QAPCUYQASA-N 2 1 368.518 3.146 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC[C@@H](C)OCc3ccccc3)C2)CC1 ZINC000572356131 505948819 /nfs/dbraw/zinc/94/88/19/505948819.db2.gz KZTZWXXIEPBUDO-IFMALSPDSA-N 2 1 359.558 3.082 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000280901838 497942929 /nfs/dbraw/zinc/94/29/29/497942929.db2.gz DUNJCPDCDHBVOZ-UHFFFAOYSA-N 2 1 360.546 3.154 20 0 FGADMP C[NH+]1CCC(CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000292263433 497944454 /nfs/dbraw/zinc/94/44/54/497944454.db2.gz TVBGEZBBZRMUJU-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP Cc1cc(C)c(N2CC[C@H](N3CCC(c4c[nH]cn4)CC3)C2=O)c(C)c1 ZINC000364515828 497997159 /nfs/dbraw/zinc/99/71/59/497997159.db2.gz CXNJKCSGMVKBJV-IBGZPJMESA-N 2 1 352.482 3.320 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000581329765 505962390 /nfs/dbraw/zinc/96/23/90/505962390.db2.gz FBNBBAWCXSAUSD-UXHICEINSA-N 2 1 361.530 3.067 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000296377364 498018505 /nfs/dbraw/zinc/01/85/05/498018505.db2.gz OVBBFXFWBMAPBO-AYHJJNSGSA-N 2 1 374.529 3.154 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCCc4ccc(O)cc43)CC2)nc(C)[nH+]1 ZINC000281107029 498021852 /nfs/dbraw/zinc/02/18/52/498021852.db2.gz WKSGJDCYRUOELC-FQEVSTJZSA-N 2 1 352.482 3.435 20 0 FGADMP C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364633350 498060162 /nfs/dbraw/zinc/06/01/62/498060162.db2.gz NCKOGDQURUTLCF-UHFFFAOYSA-N 2 1 366.513 3.234 20 0 FGADMP C[N@H+](Cc1nnc(C2CC2)n1C1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364633350 498060168 /nfs/dbraw/zinc/06/01/68/498060168.db2.gz NCKOGDQURUTLCF-UHFFFAOYSA-N 2 1 366.513 3.234 20 0 FGADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)N1CCC2(CCC[N@H+]2C)CC1 ZINC000364643540 498064632 /nfs/dbraw/zinc/06/46/32/498064632.db2.gz GELXJTUGXIYPRM-SJORKVTESA-N 2 1 361.555 3.360 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1)c1ccsc1 ZINC000581386826 505976189 /nfs/dbraw/zinc/97/61/89/505976189.db2.gz OZRNKTVPWMGFDL-CRAIPNDOSA-N 2 1 360.527 3.015 20 0 FGADMP COc1ccccc1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000572475934 505977557 /nfs/dbraw/zinc/97/75/57/505977557.db2.gz JJWVUOVDUNRKON-UHFFFAOYSA-N 2 1 354.494 3.371 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@@H](c4ccnn4C)C3)CC2)nc(C)[nH+]1 ZINC000575474622 505978359 /nfs/dbraw/zinc/97/83/59/505978359.db2.gz YDJFIFDOTQGYIS-MJGOQNOKSA-N 2 1 368.529 3.112 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000281318688 498103071 /nfs/dbraw/zinc/10/30/71/498103071.db2.gz KJLHBFIMKMNLHE-KRWDZBQOSA-N 2 1 356.514 3.283 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000281318688 498103079 /nfs/dbraw/zinc/10/30/79/498103079.db2.gz KJLHBFIMKMNLHE-KRWDZBQOSA-N 2 1 356.514 3.283 20 0 FGADMP C[N@@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285582338 498137235 /nfs/dbraw/zinc/13/72/35/498137235.db2.gz UBSVTPYKIGYBMB-QXULXFAOSA-N 2 1 372.431 3.002 20 0 FGADMP C[NH+](C[C@H](O)COc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285582338 498137243 /nfs/dbraw/zinc/13/72/43/498137243.db2.gz UBSVTPYKIGYBMB-QXULXFAOSA-N 2 1 372.431 3.002 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H](c1cncc(F)c1)C1CC1 ZINC000281424331 498145834 /nfs/dbraw/zinc/14/58/34/498145834.db2.gz BXYQMXXQISXRQW-YADHBBJMSA-N 2 1 369.484 3.418 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000578647716 505989173 /nfs/dbraw/zinc/98/91/73/505989173.db2.gz DLCOOACNZRNICR-XWTMOSNGSA-N 2 1 360.546 3.090 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1cccc(Cl)c1 ZINC000364852388 498173552 /nfs/dbraw/zinc/17/35/52/498173552.db2.gz UAIGUFKZJLPGLI-PXNSSMCTSA-N 2 1 363.933 3.229 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000575731784 505993629 /nfs/dbraw/zinc/99/36/29/505993629.db2.gz RJGUEMRSNCHLNN-INIZCTEOSA-N 2 1 358.530 3.354 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1)c1ccsc1 ZINC000289557971 498192905 /nfs/dbraw/zinc/19/29/05/498192905.db2.gz ORZMFTSHDVWWOX-QAPCUYQASA-N 2 1 360.527 3.015 20 0 FGADMP CCOC(=O)c1csc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000292912847 498193941 /nfs/dbraw/zinc/19/39/41/498193941.db2.gz KXYXWWBXANUGEH-RDJZCZTQSA-N 2 1 373.522 3.320 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000569693486 505995554 /nfs/dbraw/zinc/99/55/54/505995554.db2.gz OILITPWIXBYUKD-GJZGRUSLSA-N 2 1 372.465 3.050 20 0 FGADMP CC[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1OC(F)F ZINC000575748643 505996113 /nfs/dbraw/zinc/99/61/13/505996113.db2.gz OYWAHRPOBWMGAC-BZSNNMDCSA-N 2 1 364.436 3.260 20 0 FGADMP Cc1nc(NCCCC[NH+]2CCN(c3ccccc3)CC2)c(C)c(C)[nH+]1 ZINC000301674287 498217258 /nfs/dbraw/zinc/21/72/58/498217258.db2.gz GRONXEVYLCXNPV-UHFFFAOYSA-N 2 1 353.514 3.416 20 0 FGADMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301800666 498270681 /nfs/dbraw/zinc/27/06/81/498270681.db2.gz SEBVQPFMBLPCHC-CQSZACIVSA-N 2 1 365.399 3.412 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289799219 498298734 /nfs/dbraw/zinc/29/87/34/498298734.db2.gz SFKRKEFFPMAKGP-VMXMFDLUSA-N 2 1 368.525 3.233 20 0 FGADMP COc1ccc([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000360870015 498317334 /nfs/dbraw/zinc/31/73/34/498317334.db2.gz GBHPLQSTXQVDEV-ICSRJNTNSA-N 2 1 364.505 3.297 20 0 FGADMP COc1c(C)cnc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000360912137 498322122 /nfs/dbraw/zinc/32/21/22/498322122.db2.gz IIFBBYHZIWDUMM-UHFFFAOYSA-N 2 1 369.513 3.215 20 0 FGADMP COc1c(C)cnc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1C ZINC000360912137 498322127 /nfs/dbraw/zinc/32/21/27/498322127.db2.gz IIFBBYHZIWDUMM-UHFFFAOYSA-N 2 1 369.513 3.215 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000297162388 498338305 /nfs/dbraw/zinc/33/83/05/498338305.db2.gz MSQOKHKEEJFDPK-IBGZPJMESA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H](NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000581596979 506024430 /nfs/dbraw/zinc/02/44/30/506024430.db2.gz RJQJTUNFRGRVSV-QRVBRYPASA-N 2 1 372.557 3.106 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000575897661 506028841 /nfs/dbraw/zinc/02/88/41/506028841.db2.gz CQARHLHAXVCNIE-AVRDEDQJSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H](C(=O)NCc1cccs1)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000282199399 498419576 /nfs/dbraw/zinc/41/95/76/498419576.db2.gz XAHDUBIZMKDZHK-JKSUJKDBSA-N 2 1 372.538 3.165 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH3+])Cc3ccccc3C2)c1 ZINC000361729341 498423270 /nfs/dbraw/zinc/42/32/70/498423270.db2.gz RJDMFCCYEOPHKO-UHFFFAOYSA-N 2 1 374.488 3.490 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000361730539 498423942 /nfs/dbraw/zinc/42/39/42/498423942.db2.gz YDFHIBUEUGGELK-ZVRJUHEZSA-N 2 1 370.472 3.418 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)nc1 ZINC000575916298 506032572 /nfs/dbraw/zinc/03/25/72/506032572.db2.gz ALMFWKDCCHWCJA-UHFFFAOYSA-N 2 1 354.498 3.349 20 0 FGADMP C[C@H]([NH2+][C@H]1CC(=O)N(C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000581634129 506032843 /nfs/dbraw/zinc/03/28/43/506032843.db2.gz AMGOQHXWQLFTHG-TYPHKJRUSA-N 2 1 369.553 3.420 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@H]1CCC[NH+](Cc3cccc(F)c3)C1)CC2 ZINC000361908694 498440591 /nfs/dbraw/zinc/44/05/91/498440591.db2.gz QJWQKCYXJVISAV-IBGZPJMESA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCC[N@H+](Cc3cccc(F)c3)C1)CC2 ZINC000361908694 498440595 /nfs/dbraw/zinc/44/05/95/498440595.db2.gz QJWQKCYXJVISAV-IBGZPJMESA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@H]1CCC[N@@H+](Cc3cccc(F)c3)C1)CC2 ZINC000361908694 498440599 /nfs/dbraw/zinc/44/05/99/498440599.db2.gz QJWQKCYXJVISAV-IBGZPJMESA-N 2 1 373.516 3.125 20 0 FGADMP CC(C)n1c2ccccc2nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000362380244 498506537 /nfs/dbraw/zinc/50/65/37/498506537.db2.gz MXKLHFUNDMXOOH-UHFFFAOYSA-N 2 1 356.514 3.161 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431885 498509748 /nfs/dbraw/zinc/50/97/48/498509748.db2.gz HNICGMFWSFIAFT-OALUTQOASA-N 2 1 356.510 3.363 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000282431885 498509752 /nfs/dbraw/zinc/50/97/52/498509752.db2.gz HNICGMFWSFIAFT-OALUTQOASA-N 2 1 356.510 3.363 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335513 498513104 /nfs/dbraw/zinc/51/31/04/498513104.db2.gz FBDZYOMZGGRSLI-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335513 498513110 /nfs/dbraw/zinc/51/31/10/498513110.db2.gz FBDZYOMZGGRSLI-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335513 498513117 /nfs/dbraw/zinc/51/31/17/498513117.db2.gz FBDZYOMZGGRSLI-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OCc1cccnc1 ZINC000290335513 498513123 /nfs/dbraw/zinc/51/31/23/498513123.db2.gz FBDZYOMZGGRSLI-XLIONFOSSA-N 2 1 369.509 3.441 20 0 FGADMP C[C@H](NC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616879 498525003 /nfs/dbraw/zinc/52/50/03/498525003.db2.gz NONHRSZOJHKXAS-JKSUJKDBSA-N 2 1 361.555 3.122 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000575981220 506048301 /nfs/dbraw/zinc/04/83/01/506048301.db2.gz BVKYCKIFHGYPNQ-HZPDHXFCSA-N 2 1 374.447 3.155 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000290394266 498536252 /nfs/dbraw/zinc/53/62/52/498536252.db2.gz LMLXZEUNXPQSAS-OAQYLSRUSA-N 2 1 357.542 3.380 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)C1 ZINC000581715381 506051632 /nfs/dbraw/zinc/05/16/32/506051632.db2.gz YDXOWFBUWRZGOV-IEBWSBKVSA-N 2 1 372.557 3.330 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@H]3C3CC3)CC2)CC1 ZINC000576002616 506053612 /nfs/dbraw/zinc/05/36/12/506053612.db2.gz ZWURVFBCTYRJHE-FPOVZHCZSA-N 2 1 361.574 3.125 20 0 FGADMP COc1cccc(NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1 ZINC000362851963 498566991 /nfs/dbraw/zinc/56/69/91/498566991.db2.gz PJMPXXBGJGTABW-UHFFFAOYSA-N 2 1 374.529 3.013 20 0 FGADMP C[C@@H](NC(=O)N(C)CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000282592214 498573700 /nfs/dbraw/zinc/57/37/00/498573700.db2.gz LUQOXBJIMKWFBO-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)n1 ZINC000302785718 498574134 /nfs/dbraw/zinc/57/41/34/498574134.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000302785718 498574138 /nfs/dbraw/zinc/57/41/38/498574138.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000302785718 498574146 /nfs/dbraw/zinc/57/41/46/498574146.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 2 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[N@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785718 498574152 /nfs/dbraw/zinc/57/41/52/498574152.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[N@@H+](C)C2)nc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000302785718 498574158 /nfs/dbraw/zinc/57/41/58/498574158.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@H+](C)C2)[nH+]1 ZINC000302785718 498574160 /nfs/dbraw/zinc/57/41/60/498574160.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 3 1 374.577 3.107 20 0 FGADMP CC(C)c1cc(NC[C@@H]2CCC[NH+](C)C2)nc(NC[C@H]2CCC[N@@H+](C)C2)[nH+]1 ZINC000302785718 498574165 /nfs/dbraw/zinc/57/41/65/498574165.db2.gz VSFNRMDIKKGAST-ZWKOTPCHSA-N 3 1 374.577 3.107 20 0 FGADMP COc1nccnc1CNC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000294109968 498592281 /nfs/dbraw/zinc/59/22/81/498592281.db2.gz CVDHKNUABOLTNN-GUYCJALGSA-N 2 1 364.852 3.060 20 0 FGADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1)[N@@H+](C)C1CC1 ZINC000363010303 498602439 /nfs/dbraw/zinc/60/24/39/498602439.db2.gz JSKOVZXWTAVOGB-CYBMUJFWSA-N 2 1 369.962 3.212 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000365772025 498633600 /nfs/dbraw/zinc/63/36/00/498633600.db2.gz MOLAJABXXDDEIO-IBGZPJMESA-N 2 1 370.566 3.412 20 0 FGADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](Cc3cnc(-c4ccccc4)s3)C2)CC1 ZINC000365772025 498633603 /nfs/dbraw/zinc/63/36/03/498633603.db2.gz MOLAJABXXDDEIO-IBGZPJMESA-N 2 1 370.566 3.412 20 0 FGADMP C[NH+](C)C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)c1ccc(Cl)cc1 ZINC000576059184 506066710 /nfs/dbraw/zinc/06/67/10/506066710.db2.gz PWAWATKPAKZZFH-QUCCMNQESA-N 2 1 373.928 3.404 20 0 FGADMP CC[C@@H](C)CN(CC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365842705 498666331 /nfs/dbraw/zinc/66/63/31/498666331.db2.gz HHZYTFYBCBNUGF-GOSISDBHSA-N 2 1 366.594 3.260 20 0 FGADMP CCC1(CNC(=O)[C@H](C)[NH+]2CC(C)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000569986030 506062136 /nfs/dbraw/zinc/06/21/36/506062136.db2.gz NACAMZOUCHJREG-IBGZPJMESA-N 2 1 357.542 3.135 20 0 FGADMP c1csc(N2CC[NH+](Cc3cccc(C[NH+]4CCCCC4)c3)CC2)n1 ZINC000576087757 506073721 /nfs/dbraw/zinc/07/37/21/506073721.db2.gz ZTBRLQSTEHVRLK-UHFFFAOYSA-N 2 1 356.539 3.451 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000363172060 498685615 /nfs/dbraw/zinc/68/56/15/498685615.db2.gz HIILTHGJNSLGGU-IEBWSBKVSA-N 2 1 364.578 3.061 20 0 FGADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCCN1c1cccc(F)c1 ZINC000303602983 498696645 /nfs/dbraw/zinc/69/66/45/498696645.db2.gz ARIFQRSSGQTTEL-FQEVSTJZSA-N 2 1 359.489 3.129 20 0 FGADMP CC[C@H]1CCC[C@@H]1NC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365950217 498707572 /nfs/dbraw/zinc/70/75/72/498707572.db2.gz XLHHFFMRNRRLMJ-ICSRJNTNSA-N 2 1 364.578 3.061 20 0 FGADMP FC(F)Cn1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000294641023 498757832 /nfs/dbraw/zinc/75/78/32/498757832.db2.gz KGINUYIMEQVUML-HXUWFJFHSA-N 2 1 360.452 3.246 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCc3nccn3C2)CC1 ZINC000287508102 498781308 /nfs/dbraw/zinc/78/13/08/498781308.db2.gz OBKCDKAIKAULRK-QNGMFEMESA-N 2 1 352.526 3.478 20 0 FGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000287508102 498781315 /nfs/dbraw/zinc/78/13/15/498781315.db2.gz OBKCDKAIKAULRK-QNGMFEMESA-N 3 1 352.526 3.478 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000287508102 498781318 /nfs/dbraw/zinc/78/13/18/498781318.db2.gz OBKCDKAIKAULRK-QNGMFEMESA-N 3 1 352.526 3.478 20 0 FGADMP COc1cc([C@@H](C)[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(F)cn1 ZINC000287729804 498848685 /nfs/dbraw/zinc/84/86/85/498848685.db2.gz PBQFKNPRIHBWMW-OAHLLOKOSA-N 2 1 361.461 3.411 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000283366969 498863596 /nfs/dbraw/zinc/86/35/96/498863596.db2.gz NQXLNLYQHDBEGZ-ZDFPQIBNSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000283366969 498863600 /nfs/dbraw/zinc/86/36/00/498863600.db2.gz NQXLNLYQHDBEGZ-ZDFPQIBNSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O ZINC000283394491 498872757 /nfs/dbraw/zinc/87/27/57/498872757.db2.gz PVULMHRBIVAHGV-GBAJDQEWSA-N 2 1 372.553 3.054 20 0 FGADMP C[C@@H]1CN(C(=O)Nc2ccn3ccnc3c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000570167621 506106547 /nfs/dbraw/zinc/10/65/47/506106547.db2.gz LLSGSBNYZNWHQL-KRWDZBQOSA-N 2 1 363.465 3.320 20 0 FGADMP O=C([C@@H]1CCCCC[NH2+]1)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000581944285 506096296 /nfs/dbraw/zinc/09/62/96/506096296.db2.gz BEMYCGZYFIXXSF-HKBOAZHASA-N 2 1 355.526 3.032 20 0 FGADMP [NH3+][C@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416766 498917226 /nfs/dbraw/zinc/91/72/26/498917226.db2.gz ZHCYYFCKSLWJBD-TZIWHRDSSA-N 2 1 351.494 3.105 20 0 FGADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000570222601 506118359 /nfs/dbraw/zinc/11/83/59/506118359.db2.gz RPMIAXCCHBFMMQ-INIZCTEOSA-N 2 1 355.320 3.121 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000570222601 506118361 /nfs/dbraw/zinc/11/83/61/506118361.db2.gz RPMIAXCCHBFMMQ-INIZCTEOSA-N 2 1 355.320 3.121 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288283787 498984637 /nfs/dbraw/zinc/98/46/37/498984637.db2.gz XDTUWOPPERVCFD-OPYAIIAOSA-N 2 1 372.557 3.021 20 0 FGADMP O=C1O[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CC2 ZINC000366587352 498992341 /nfs/dbraw/zinc/99/23/41/498992341.db2.gz VEXKYYWVRDFVEI-LJQANCHMSA-N 2 1 354.494 3.070 20 0 FGADMP O=C1O[C@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC12CC2 ZINC000366587346 498992794 /nfs/dbraw/zinc/99/27/94/498992794.db2.gz VEXKYYWVRDFVEI-IBGZPJMESA-N 2 1 354.494 3.070 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057828 506124159 /nfs/dbraw/zinc/12/41/59/506124159.db2.gz GWRLTRLUVQPFIM-OXJNMPFZSA-N 2 1 372.538 3.453 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)nc1 ZINC000582057828 506124162 /nfs/dbraw/zinc/12/41/62/506124162.db2.gz GWRLTRLUVQPFIM-OXJNMPFZSA-N 2 1 372.538 3.453 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225506 506124311 /nfs/dbraw/zinc/12/43/11/506124311.db2.gz HGQZASOQARONJN-ICSRJNTNSA-N 2 1 369.534 3.091 20 0 FGADMP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225506 506124313 /nfs/dbraw/zinc/12/43/13/506124313.db2.gz HGQZASOQARONJN-ICSRJNTNSA-N 2 1 369.534 3.091 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC000366795887 499076529 /nfs/dbraw/zinc/07/65/29/499076529.db2.gz PGRNUUFIVNUIER-UXHICEINSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)c1 ZINC000366795887 499076532 /nfs/dbraw/zinc/07/65/32/499076532.db2.gz PGRNUUFIVNUIER-UXHICEINSA-N 2 1 355.457 3.063 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000576327805 506131166 /nfs/dbraw/zinc/13/11/66/506131166.db2.gz CBMXVFVAMWLOSY-IEBWSBKVSA-N 2 1 367.497 3.271 20 0 FGADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2nccn2C)CC1 ZINC000372537282 499141860 /nfs/dbraw/zinc/14/18/60/499141860.db2.gz BMUIGPMCDVQTHT-GTAWCEEGSA-N 2 1 360.546 3.273 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[N@H+]1C ZINC000369871828 499142525 /nfs/dbraw/zinc/14/25/25/499142525.db2.gz JLHUIVJAXMSZCW-FXAWDEMLSA-N 2 1 364.578 3.155 20 0 FGADMP c1cc(C[NH+]2CCC[C@H]3OCC[C@H]32)cc(C[N@H+]2CCC[C@H]3OCC[C@H]32)c1 ZINC000369878853 499143857 /nfs/dbraw/zinc/14/38/57/499143857.db2.gz VDPXMRDTPBJAGI-GXRSIYKFSA-N 2 1 356.510 3.193 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904980 499149646 /nfs/dbraw/zinc/14/96/46/499149646.db2.gz UERBNWVXVWEJHH-DYESRHJHSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904980 499149647 /nfs/dbraw/zinc/14/96/47/499149647.db2.gz UERBNWVXVWEJHH-DYESRHJHSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904980 499149650 /nfs/dbraw/zinc/14/96/50/499149650.db2.gz UERBNWVXVWEJHH-DYESRHJHSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000369904980 499149653 /nfs/dbraw/zinc/14/96/53/499149653.db2.gz UERBNWVXVWEJHH-DYESRHJHSA-N 2 1 351.494 3.128 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1ccc(F)cc1F)CC2)C1CC1 ZINC000367209988 499162382 /nfs/dbraw/zinc/16/23/82/499162382.db2.gz YLAALSIWICMWBU-KUHUBIRLSA-N 2 1 350.453 3.195 20 0 FGADMP COc1ccc(OC)c(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000372714737 499165237 /nfs/dbraw/zinc/16/52/37/499165237.db2.gz HLAUTVAFIZVWMR-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP COc1ccc(OC)c(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1 ZINC000372714737 499165239 /nfs/dbraw/zinc/16/52/39/499165239.db2.gz HLAUTVAFIZVWMR-UHFFFAOYSA-N 2 1 370.497 3.211 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779248 499174171 /nfs/dbraw/zinc/17/41/71/499174171.db2.gz CKSIZCIOUGQPSY-GMQQQROESA-N 2 1 368.525 3.412 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccc(-n2ccnc2)cc1 ZINC000372779248 499174174 /nfs/dbraw/zinc/17/41/74/499174174.db2.gz CKSIZCIOUGQPSY-GMQQQROESA-N 2 1 368.525 3.412 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1c(F)cccc1F)CC2)C1CC1 ZINC000367309534 499178274 /nfs/dbraw/zinc/17/82/74/499178274.db2.gz JMQJXNQTYUJAGD-KSSFIOAISA-N 2 1 350.453 3.195 20 0 FGADMP C[N@H+](Cc1cnoc1C1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000367373475 499190606 /nfs/dbraw/zinc/19/06/06/499190606.db2.gz YTDGVLAIDAMOBF-NRFANRHFSA-N 2 1 369.509 3.429 20 0 FGADMP c1cnc(Oc2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000367472403 499203009 /nfs/dbraw/zinc/20/30/09/499203009.db2.gz KQAVONBXJAGRFP-RLLQIKCJSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000367472403 499203011 /nfs/dbraw/zinc/20/30/11/499203011.db2.gz KQAVONBXJAGRFP-RLLQIKCJSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000367472403 499203012 /nfs/dbraw/zinc/20/30/12/499203012.db2.gz KQAVONBXJAGRFP-RLLQIKCJSA-N 2 1 350.466 3.185 20 0 FGADMP c1cnc(Oc2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000367472403 499203015 /nfs/dbraw/zinc/20/30/15/499203015.db2.gz KQAVONBXJAGRFP-RLLQIKCJSA-N 2 1 350.466 3.185 20 0 FGADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)s2)cn1 ZINC000370287988 499206105 /nfs/dbraw/zinc/20/61/05/499206105.db2.gz KZDYCJARVYRXSS-JXFKEZNVSA-N 2 1 367.522 3.326 20 0 FGADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3cccnc3)s2)cn1 ZINC000370287988 499206107 /nfs/dbraw/zinc/20/61/07/499206107.db2.gz KZDYCJARVYRXSS-JXFKEZNVSA-N 2 1 367.522 3.326 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(NC(=O)c3cccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000367532558 499209894 /nfs/dbraw/zinc/20/98/94/499209894.db2.gz BOGIESDWKMGZTB-PCCBWWKXSA-N 2 1 364.493 3.296 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367605897 499216814 /nfs/dbraw/zinc/21/68/14/499216814.db2.gz IIAPBLUIRFPRDB-ACRUOGEOSA-N 2 1 355.526 3.275 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367621762 499218826 /nfs/dbraw/zinc/21/88/26/499218826.db2.gz TVTKLVMMYUSSCN-BFYDXBDKSA-N 2 1 365.905 3.140 20 0 FGADMP COc1cc(OC)c(OC)cc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367684232 499224535 /nfs/dbraw/zinc/22/45/35/499224535.db2.gz HGFXMNBYRRLMNC-UHFFFAOYSA-N 2 1 371.481 3.208 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1F ZINC000370574276 499232842 /nfs/dbraw/zinc/23/28/42/499232842.db2.gz SPLLQNKLRFLOAV-MFWIUYSUSA-N 2 1 350.478 3.374 20 0 FGADMP Cc1cc(=O)oc2cc(OCCN3CCC4(CCC[N@@H+]4C)CC3)ccc12 ZINC000370651037 499239878 /nfs/dbraw/zinc/23/98/78/499239878.db2.gz ONIQOTHQFHVCKD-UHFFFAOYSA-N 2 1 356.466 3.040 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1OCC(F)F ZINC000367957651 499249647 /nfs/dbraw/zinc/24/96/47/499249647.db2.gz MTILLQPTLJBRQA-CABCVRRESA-N 2 1 370.440 3.064 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1OCC(F)F ZINC000367957651 499249648 /nfs/dbraw/zinc/24/96/48/499249648.db2.gz MTILLQPTLJBRQA-CABCVRRESA-N 2 1 370.440 3.064 20 0 FGADMP CC(C)CN(C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CC1 ZINC000371094029 499287928 /nfs/dbraw/zinc/28/79/28/499287928.db2.gz NNWHNMQQSPKFDW-UHFFFAOYSA-N 2 1 364.578 3.013 20 0 FGADMP CCS[C@H](C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000371095759 499288130 /nfs/dbraw/zinc/28/81/30/499288130.db2.gz XKALPASLKIYJMO-IBGZPJMESA-N 2 1 369.619 3.077 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371106254 499288966 /nfs/dbraw/zinc/28/89/66/499288966.db2.gz JFQHCCSGRIVUJW-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000368494028 499301556 /nfs/dbraw/zinc/30/15/56/499301556.db2.gz KUAAAOCGRMAUDS-LJQANCHMSA-N 3 1 373.585 3.499 20 0 FGADMP O=C([C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000371242691 499301606 /nfs/dbraw/zinc/30/16/06/499301606.db2.gz HKILLKJBQWLIJE-FPOVZHCZSA-N 2 1 373.516 3.028 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000371304250 499308099 /nfs/dbraw/zinc/30/80/99/499308099.db2.gz SDTMHZXYOTUJSG-JTSKRJEESA-N 2 1 352.526 3.001 20 0 FGADMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cnc(C(C)(C)C)s3)CC2)CC1 ZINC000371335379 499311891 /nfs/dbraw/zinc/31/18/91/499311891.db2.gz JWDBWZSZQGMNPM-UHFFFAOYSA-N 2 1 364.603 3.431 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccn3Cc3cccs3)C2)CC1 ZINC000371334533 499311901 /nfs/dbraw/zinc/31/19/01/499311901.db2.gz GUBWSZUMLSQINX-FQEVSTJZSA-N 2 1 372.582 3.198 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000368600186 499312457 /nfs/dbraw/zinc/31/24/57/499312457.db2.gz GGVPKHUMTFFINS-IBGZPJMESA-N 2 1 372.557 3.485 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCC2CC[NH2+]CC2)cc1F ZINC000371343206 499313213 /nfs/dbraw/zinc/31/32/13/499313213.db2.gz FWZVOCAUVZKMQH-CQSZACIVSA-N 2 1 358.461 3.277 20 0 FGADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000368629805 499315442 /nfs/dbraw/zinc/31/54/42/499315442.db2.gz BBVNQLIWGJTOQT-UHFFFAOYSA-N 2 1 360.542 3.296 20 0 FGADMP Cc1c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)oc2c1c(C)ccc2C ZINC000369265938 499385467 /nfs/dbraw/zinc/38/54/67/499385467.db2.gz JQYMVGQQPQASID-KRWDZBQOSA-N 2 1 369.509 3.256 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372054994 499393884 /nfs/dbraw/zinc/39/38/84/499393884.db2.gz JMDOOQAFEIJCKX-KSEOMHKRSA-N 3 1 365.606 3.224 20 0 FGADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372054994 499393885 /nfs/dbraw/zinc/39/38/85/499393885.db2.gz JMDOOQAFEIJCKX-KSEOMHKRSA-N 2 1 365.606 3.224 20 0 FGADMP CC[C@@H]1[C@@H](C)CCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372320769 499420415 /nfs/dbraw/zinc/42/04/15/499420415.db2.gz OAYNMVSPJXYZEK-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000372399058 499429243 /nfs/dbraw/zinc/42/92/43/499429243.db2.gz ARIWSQORYLVFOG-DYESRHJHSA-N 2 1 368.525 3.059 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369768400 499441795 /nfs/dbraw/zinc/44/17/95/499441795.db2.gz WOGPSPILIFCTEG-MAUKXSAKSA-N 2 1 355.448 3.163 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3csc(-c4ccoc4)n3)CC2)CC1 ZINC000375237065 499498100 /nfs/dbraw/zinc/49/81/00/499498100.db2.gz MFPQUMNIZQSHSH-UHFFFAOYSA-N 2 1 374.554 3.253 20 0 FGADMP C[C@H](c1ccc(OC(F)F)cc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378425927 499515516 /nfs/dbraw/zinc/51/55/16/499515516.db2.gz GTGVSYCSXUZYIJ-CRAIPNDOSA-N 2 1 367.484 3.449 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](c1ccccc1)C(C)C ZINC000378436192 499516649 /nfs/dbraw/zinc/51/66/49/499516649.db2.gz VRJXFKIAAMJDHT-NRFANRHFSA-N 2 1 369.557 3.357 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCSCc3ccccc3)C2)CC1 ZINC000378435547 499516725 /nfs/dbraw/zinc/51/67/25/499516725.db2.gz OEZQJYMUSQEOBM-NRFANRHFSA-N 2 1 361.599 3.269 20 0 FGADMP Cc1ncc(C[N@@H+]2CC[C@@H](NCC(=O)Nc3ccc(C)cc3)[C@H](C)C2)s1 ZINC000375509483 499526997 /nfs/dbraw/zinc/52/69/97/499526997.db2.gz LAKZCQGGNCVPNO-DNVCBOLYSA-N 2 1 372.538 3.199 20 0 FGADMP Cc1ncc(C[N@H+]2CC[C@@H](NCC(=O)Nc3ccc(C)cc3)[C@H](C)C2)s1 ZINC000375509483 499526998 /nfs/dbraw/zinc/52/69/98/499526998.db2.gz LAKZCQGGNCVPNO-DNVCBOLYSA-N 2 1 372.538 3.199 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000379654831 499542725 /nfs/dbraw/zinc/54/27/25/499542725.db2.gz KCESAEXKOSOUFG-QMMLZNLJSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000379654831 499542727 /nfs/dbraw/zinc/54/27/27/499542727.db2.gz KCESAEXKOSOUFG-QMMLZNLJSA-N 2 1 372.484 3.208 20 0 FGADMP O[C@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852676 499544119 /nfs/dbraw/zinc/54/41/19/499544119.db2.gz CNDHNLOOIKWDFU-FGZHOGPDSA-N 2 1 368.521 3.318 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382682098 499545574 /nfs/dbraw/zinc/54/55/74/499545574.db2.gz CMSNYDLVGQOQIB-FQEVSTJZSA-N 2 1 365.521 3.043 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705785 499547016 /nfs/dbraw/zinc/54/70/16/499547016.db2.gz FGVLAWACRBHFAL-FCHUYYIVSA-N 2 1 368.521 3.155 20 0 FGADMP Cc1ncc2c(n1)CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000375713159 499548057 /nfs/dbraw/zinc/54/80/57/499548057.db2.gz WVIOQPYVQKWAFJ-YSFYHYPLSA-N 2 1 362.521 3.428 20 0 FGADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@@H+]3Cc1ccccc1)C2 ZINC000375713157 499548270 /nfs/dbraw/zinc/54/82/70/499548270.db2.gz WVIOQPYVQKWAFJ-KJJMTIBFSA-N 2 1 362.521 3.428 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000385371384 499548296 /nfs/dbraw/zinc/54/82/96/499548296.db2.gz CCIZJYXLJCCBBP-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c1 ZINC000385371384 499548297 /nfs/dbraw/zinc/54/82/97/499548297.db2.gz CCIZJYXLJCCBBP-LSDHHAIUSA-N 2 1 356.251 3.008 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740235 499550327 /nfs/dbraw/zinc/55/03/27/499550327.db2.gz FDHFDYHZRHAOBL-WZTADHLQSA-N 2 1 350.453 3.457 20 0 FGADMP C[N@@H+](CCOc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000394163757 499561451 /nfs/dbraw/zinc/56/14/51/499561451.db2.gz KXXWBITUGWPVOK-XYPWUTKMSA-N 2 1 353.304 3.385 20 0 FGADMP C[NH+](CCOc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394163757 499561453 /nfs/dbraw/zinc/56/14/53/499561453.db2.gz KXXWBITUGWPVOK-XYPWUTKMSA-N 2 1 353.304 3.385 20 0 FGADMP C[NH+](CCOc1cccc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000394163757 499561454 /nfs/dbraw/zinc/56/14/54/499561454.db2.gz KXXWBITUGWPVOK-XYPWUTKMSA-N 2 1 353.304 3.385 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000398076362 499566414 /nfs/dbraw/zinc/56/64/14/499566414.db2.gz QSXUHKGIOVVICX-RMVXJAJNSA-N 2 1 357.542 3.039 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000376296060 499598262 /nfs/dbraw/zinc/59/82/62/499598262.db2.gz LMXDLBDRUICIBK-QRVBRYPASA-N 2 1 363.546 3.406 20 0 FGADMP C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)N1CCc2ccccc2C1 ZINC000409648633 499612008 /nfs/dbraw/zinc/61/20/08/499612008.db2.gz SVAFKYMBHPVKGZ-LJQANCHMSA-N 2 1 365.521 3.072 20 0 FGADMP C[C@H](C(=O)NCCC[NH+](C)Cc1ccccc1)[N@@H+]1CCc2ccccc2C1 ZINC000409648633 499612010 /nfs/dbraw/zinc/61/20/10/499612010.db2.gz SVAFKYMBHPVKGZ-LJQANCHMSA-N 2 1 365.521 3.072 20 0 FGADMP C[C@H](C(=O)NCCC[NH+](C)Cc1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000409648633 499612011 /nfs/dbraw/zinc/61/20/11/499612011.db2.gz SVAFKYMBHPVKGZ-LJQANCHMSA-N 2 1 365.521 3.072 20 0 FGADMP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000409648633 499612013 /nfs/dbraw/zinc/61/20/13/499612013.db2.gz SVAFKYMBHPVKGZ-LJQANCHMSA-N 2 1 365.521 3.072 20 0 FGADMP C[C@H](C(=O)NCCC[N@@H+](C)Cc1ccccc1)[NH+]1CCc2ccccc2C1 ZINC000409648633 499612014 /nfs/dbraw/zinc/61/20/14/499612014.db2.gz SVAFKYMBHPVKGZ-LJQANCHMSA-N 2 1 365.521 3.072 20 0 FGADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000376559847 499618470 /nfs/dbraw/zinc/61/84/70/499618470.db2.gz ZUANVCBEQXSKQF-ICSRJNTNSA-N 2 1 361.530 3.376 20 0 FGADMP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000376997467 499652943 /nfs/dbraw/zinc/65/29/43/499652943.db2.gz LZTHGKJUMYABSN-HXUWFJFHSA-N 2 1 371.525 3.013 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355894 499657110 /nfs/dbraw/zinc/65/71/10/499657110.db2.gz AGZHTSJZLAOOGU-ZWKOTPCHSA-N 2 1 359.514 3.405 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000377265837 499675234 /nfs/dbraw/zinc/67/52/34/499675234.db2.gz HPEKSKWSBMDBPK-CQSZACIVSA-N 2 1 357.408 3.264 20 0 FGADMP Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000377265837 499675235 /nfs/dbraw/zinc/67/52/35/499675235.db2.gz HPEKSKWSBMDBPK-CQSZACIVSA-N 2 1 357.408 3.264 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000573253848 506154767 /nfs/dbraw/zinc/15/47/67/506154767.db2.gz GQMXJIATOGIQEF-QVUQUMENSA-N 2 1 357.542 3.167 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468065 499693729 /nfs/dbraw/zinc/69/37/29/499693729.db2.gz LTBGXTHBIUPICS-AVRDEDQJSA-N 2 1 369.553 3.230 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377481723 499695658 /nfs/dbraw/zinc/69/56/58/499695658.db2.gz NEGRYASAQUAGQB-IBGZPJMESA-N 2 1 373.541 3.065 20 0 FGADMP COCCC1(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377628809 499712793 /nfs/dbraw/zinc/71/27/93/499712793.db2.gz ONBMUHSUSQDJEI-HXUWFJFHSA-N 2 1 351.579 3.075 20 0 FGADMP COCCC1(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)CCCCC1 ZINC000377628809 499712794 /nfs/dbraw/zinc/71/27/94/499712794.db2.gz ONBMUHSUSQDJEI-HXUWFJFHSA-N 2 1 351.579 3.075 20 0 FGADMP CN1CC[NH+](C[C@H]2CCCN(c3cc[nH+]c4ccc(Cl)cc43)C2)CC1 ZINC000377680136 499719236 /nfs/dbraw/zinc/71/92/36/499719236.db2.gz PHMIQGGHBXCUHH-MRXNPFEDSA-N 2 1 358.917 3.352 20 0 FGADMP Cc1[nH+]ccn1CC[NH+]1CCC([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000377717476 499724551 /nfs/dbraw/zinc/72/45/51/499724551.db2.gz HKHWSQINNYPYAO-SFHVURJKSA-N 2 1 362.518 3.161 20 0 FGADMP c1cn(Cc2ccccc2)c(Cc2noc([C@@H]3CCCc4[nH+]ccn43)n2)n1 ZINC000377788522 499733547 /nfs/dbraw/zinc/73/35/47/499733547.db2.gz XCVFUUZXIUKNPV-INIZCTEOSA-N 2 1 360.421 3.027 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000579369716 506157876 /nfs/dbraw/zinc/15/78/76/506157876.db2.gz LALMCPXGOFTNPP-DLBZAZTESA-N 2 1 354.281 3.250 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000579369716 506157878 /nfs/dbraw/zinc/15/78/78/506157878.db2.gz LALMCPXGOFTNPP-DLBZAZTESA-N 2 1 354.281 3.250 20 0 FGADMP CC(CC[NH+](C)[C@@H](C)c1cnn(C)c1)CC[N@@H+](C)[C@@H](C)c1cnn(C)c1 ZINC000411506521 499748815 /nfs/dbraw/zinc/74/88/15/499748815.db2.gz YIKSTEJRIAUFFM-ROUUACIJSA-N 2 1 360.550 3.256 20 0 FGADMP O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544406 499753127 /nfs/dbraw/zinc/75/31/27/499753127.db2.gz NNCCRZFXXYULLE-NHCUHLMSSA-N 2 1 356.510 3.243 20 0 FGADMP O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411544406 499753129 /nfs/dbraw/zinc/75/31/29/499753129.db2.gz NNCCRZFXXYULLE-NHCUHLMSSA-N 2 1 356.510 3.243 20 0 FGADMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc2c(c1)OCO2 ZINC000378180954 499762362 /nfs/dbraw/zinc/76/23/62/499762362.db2.gz ARQWPVAHKUXCOX-KRWDZBQOSA-N 3 1 373.541 3.262 20 0 FGADMP CCOC(=O)C[C@H]1C[C@@H](OC)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558926 499763135 /nfs/dbraw/zinc/76/31/35/499763135.db2.gz MQCOVKUEJSLFRX-NHCUHLMSSA-N 2 1 374.525 3.215 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414131748 499763293 /nfs/dbraw/zinc/76/32/93/499763293.db2.gz YKJBJLXWZSCNSJ-YQVWRLOYSA-N 2 1 363.933 3.153 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC2(CCOCC2)O1 ZINC000411678497 499776686 /nfs/dbraw/zinc/77/66/86/499776686.db2.gz SFBTUPXGSMFOCH-LJQANCHMSA-N 2 1 358.526 3.442 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656553 499817602 /nfs/dbraw/zinc/81/76/02/499817602.db2.gz NGPLBOXGLKAARX-KRWDZBQOSA-N 2 1 353.514 3.492 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000414656553 499817603 /nfs/dbraw/zinc/81/76/03/499817603.db2.gz NGPLBOXGLKAARX-KRWDZBQOSA-N 2 1 353.514 3.492 20 0 FGADMP CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732583 499824324 /nfs/dbraw/zinc/82/43/24/499824324.db2.gz CTOPMMZSNRPOPJ-LSDHHAIUSA-N 2 1 371.447 3.286 20 0 FGADMP COCC[N@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414756219 499827209 /nfs/dbraw/zinc/82/72/09/499827209.db2.gz JDAPCLQYZXHBBY-QWHCGFSZSA-N 2 1 361.349 3.347 20 0 FGADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819054 499834463 /nfs/dbraw/zinc/83/44/63/499834463.db2.gz XQNHUGJCZLCTNI-WFASDCNBSA-N 2 1 356.308 3.273 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000414895419 499842741 /nfs/dbraw/zinc/84/27/41/499842741.db2.gz WWLCGCTVGWPRJN-OAQYLSRUSA-N 2 1 362.477 3.375 20 0 FGADMP C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CCC[NH2+]C1 ZINC000414900045 499842996 /nfs/dbraw/zinc/84/29/96/499842996.db2.gz CZZZAADEHZUJRC-PKOBYXMFSA-N 2 1 352.906 3.377 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414928828 499845509 /nfs/dbraw/zinc/84/55/09/499845509.db2.gz NLTMQIWUPBDNAL-SUMWQHHRSA-N 2 1 367.921 3.434 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[NH2+][C@H](C)C3)c2)cc1 ZINC000414958385 499849113 /nfs/dbraw/zinc/84/91/13/499849113.db2.gz WQCJUWPEFYEBKX-QAPCUYQASA-N 2 1 353.466 3.178 20 0 FGADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000415090507 499862514 /nfs/dbraw/zinc/86/25/14/499862514.db2.gz PBTIDMDDCGNJJC-HKBOAZHASA-N 2 1 355.526 3.251 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCCO1 ZINC000415111079 499865091 /nfs/dbraw/zinc/86/50/91/499865091.db2.gz QGECHYVISBMRRE-OAQYLSRUSA-N 2 1 362.477 3.089 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccccc2)CCCO1 ZINC000415111079 499865093 /nfs/dbraw/zinc/86/50/93/499865093.db2.gz QGECHYVISBMRRE-OAQYLSRUSA-N 2 1 362.477 3.089 20 0 FGADMP O=C1CCCN1C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000415129055 499867856 /nfs/dbraw/zinc/86/78/56/499867856.db2.gz YIKMHPXAKXVFON-IRXDYDNUSA-N 2 1 369.431 3.101 20 0 FGADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3Br)CC2)C1 ZINC000415131630 499867930 /nfs/dbraw/zinc/86/79/30/499867930.db2.gz ZVPGGFSTPMOCSV-SUMWQHHRSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc(Br)ccc3F)CC2)C1 ZINC000415130751 499868125 /nfs/dbraw/zinc/86/81/25/499868125.db2.gz XNQZPODAXBSMMJ-WBVHZDCISA-N 2 1 371.294 3.307 20 0 FGADMP CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c2C1 ZINC000415465701 499894611 /nfs/dbraw/zinc/89/46/11/499894611.db2.gz PWUIEYAPNRHAIE-CQSZACIVSA-N 2 1 366.465 3.009 20 0 FGADMP CCC[N@H+]1Cc2cccc(NC(=O)C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)c2C1 ZINC000415465701 499894613 /nfs/dbraw/zinc/89/46/13/499894613.db2.gz PWUIEYAPNRHAIE-CQSZACIVSA-N 2 1 366.465 3.009 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000415918252 499928219 /nfs/dbraw/zinc/92/82/19/499928219.db2.gz FRUUXFIUQNXYAR-NRFANRHFSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)NCc2cc(C)[nH+]c(N3CCCC3)c2)c1 ZINC000415927308 499929486 /nfs/dbraw/zinc/92/94/86/499929486.db2.gz CQBZMYOKUIAWMV-UHFFFAOYSA-N 2 1 367.497 3.421 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415930020 499929620 /nfs/dbraw/zinc/92/96/20/499929620.db2.gz ZNHYUUIHQXVVRT-OXQOHEQNSA-N 2 1 352.482 3.048 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415936892 499930772 /nfs/dbraw/zinc/93/07/72/499930772.db2.gz XHLIDDVYFURTTH-IBGZPJMESA-N 2 1 366.509 3.440 20 0 FGADMP C[C@H](CCNC(=O)Nc1ccc(OCC[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000415940920 499931376 /nfs/dbraw/zinc/93/13/76/499931376.db2.gz VAWKHZAYZYRIMD-QGZVFWFLSA-N 2 1 370.497 3.056 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246778 499932064 /nfs/dbraw/zinc/93/20/64/499932064.db2.gz HPRQISUCFVJORH-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246778 499932066 /nfs/dbraw/zinc/93/20/66/499932066.db2.gz HPRQISUCFVJORH-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246778 499932067 /nfs/dbraw/zinc/93/20/67/499932067.db2.gz HPRQISUCFVJORH-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000413246778 499932069 /nfs/dbraw/zinc/93/20/69/499932069.db2.gz HPRQISUCFVJORH-CTNGQTDRSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415965985 499934704 /nfs/dbraw/zinc/93/47/04/499934704.db2.gz FZXLZEIQINVGGU-LBPRGKRZSA-N 2 1 358.408 3.160 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981358 499937196 /nfs/dbraw/zinc/93/71/96/499937196.db2.gz VLXUUOCSFZQTPF-DLBZAZTESA-N 2 1 352.482 3.272 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cc1 ZINC000415984169 499937441 /nfs/dbraw/zinc/93/74/41/499937441.db2.gz OYCCYUJDRGJDKT-OXQOHEQNSA-N 2 1 352.482 3.191 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417041318 499955754 /nfs/dbraw/zinc/95/57/54/499955754.db2.gz KZWXILWXSCFCMM-QUCCMNQESA-N 2 1 360.546 3.420 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)CC[N@H+]2CCc3ccccc3C2)CC1 ZINC000416142103 499956763 /nfs/dbraw/zinc/95/67/63/499956763.db2.gz FQZWDWANAMBOBF-UHFFFAOYSA-N 2 1 357.542 3.015 20 0 FGADMP COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)c1 ZINC000570456369 506170995 /nfs/dbraw/zinc/17/09/95/506170995.db2.gz UZTJHNQEPFHWRI-GOSISDBHSA-N 2 1 365.521 3.220 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032852 499989764 /nfs/dbraw/zinc/98/97/64/499989764.db2.gz XXSLJDJJNRHJQW-FDDCHVKYSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032852 499989766 /nfs/dbraw/zinc/98/97/66/499989766.db2.gz XXSLJDJJNRHJQW-FDDCHVKYSA-N 2 1 363.505 3.183 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)Cn3c4ccccc4c4ccccc43)C2)C1 ZINC000429032852 499989770 /nfs/dbraw/zinc/98/97/70/499989770.db2.gz XXSLJDJJNRHJQW-FDDCHVKYSA-N 2 1 363.505 3.183 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(Br)c1O ZINC000576482162 506168914 /nfs/dbraw/zinc/16/89/14/506168914.db2.gz CLZNWBNEWKLZOS-CYBMUJFWSA-N 2 1 371.319 3.373 20 0 FGADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(Br)c1O ZINC000576482162 506168919 /nfs/dbraw/zinc/16/89/19/506168919.db2.gz CLZNWBNEWKLZOS-CYBMUJFWSA-N 2 1 371.319 3.373 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000579420157 506169078 /nfs/dbraw/zinc/16/90/78/506169078.db2.gz AXXDFXMHNGJWIA-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CCC[NH2+]CCNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417211466 500006530 /nfs/dbraw/zinc/00/65/30/500006530.db2.gz DTRTZIPLCBHWDX-UHFFFAOYSA-N 2 1 360.546 3.250 20 0 FGADMP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000417215144 500007662 /nfs/dbraw/zinc/00/76/62/500007662.db2.gz HYKKSZXIZSWIFZ-HXUWFJFHSA-N 2 1 360.546 3.234 20 0 FGADMP C[C@@H]([NH3+])c1ccc(-c2nc(-c3ccc(C[NH+]4CCOCC4)cc3)no2)cc1 ZINC000416400971 500037212 /nfs/dbraw/zinc/03/72/12/500037212.db2.gz LJAQJZDOILEDPF-OAHLLOKOSA-N 2 1 364.449 3.256 20 0 FGADMP COc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1Br ZINC000425225412 500049542 /nfs/dbraw/zinc/04/95/42/500049542.db2.gz FVDRHQNUWRDGQY-NWDGAFQWSA-N 2 1 364.287 3.322 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)c1 ZINC000417406581 500063841 /nfs/dbraw/zinc/06/38/41/500063841.db2.gz RQLATVLHMJURFP-OAQYLSRUSA-N 2 1 368.525 3.418 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000413837427 500071815 /nfs/dbraw/zinc/07/18/15/500071815.db2.gz AHMVVSAKVDLVNZ-JOCHJYFZSA-N 2 1 363.505 3.459 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425400048 500094794 /nfs/dbraw/zinc/09/47/94/500094794.db2.gz XHJTXRJPSNOKFB-FQEVSTJZSA-N 2 1 357.542 3.230 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)cn1 ZINC000414061140 500142080 /nfs/dbraw/zinc/14/20/80/500142080.db2.gz BPYHAGNOCFDHPL-CQSZACIVSA-N 2 1 354.429 3.444 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000417741442 500161615 /nfs/dbraw/zinc/16/16/15/500161615.db2.gz UJDFFSZJSYEAKH-UHFFFAOYSA-N 2 1 372.513 3.228 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000417741442 500161619 /nfs/dbraw/zinc/16/16/19/500161619.db2.gz UJDFFSZJSYEAKH-UHFFFAOYSA-N 2 1 372.513 3.228 20 0 FGADMP C[N@H+]1C[C@@H]2CCCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000425634735 500165594 /nfs/dbraw/zinc/16/55/94/500165594.db2.gz OKZCAZXAPHIKIC-PZJWPPBQSA-N 2 1 370.541 3.273 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416968840 500169554 /nfs/dbraw/zinc/16/95/54/500169554.db2.gz ATZWMJXJPPOOJM-WMQCIHAUSA-N 2 1 370.541 3.097 20 0 FGADMP CCCN(C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416970122 500169977 /nfs/dbraw/zinc/16/99/77/500169977.db2.gz MTONODFEDALZRC-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)C1 ZINC000416981253 500174593 /nfs/dbraw/zinc/17/45/93/500174593.db2.gz CJUPXXORYHYPDX-HRQSHJORSA-N 2 1 372.557 3.091 20 0 FGADMP CCCN(C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000417808522 500176595 /nfs/dbraw/zinc/17/65/95/500176595.db2.gz FNRINXSTDAMFKQ-SFHVURJKSA-N 2 1 360.546 3.071 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1CC[NH2+]CC1 ZINC000417826351 500179570 /nfs/dbraw/zinc/17/95/70/500179570.db2.gz CECLRQHSPDETAW-UYAOXDASSA-N 2 1 372.557 3.213 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000417826344 500179937 /nfs/dbraw/zinc/17/99/37/500179937.db2.gz CECLRQHSPDETAW-AZUAARDMSA-N 2 1 372.557 3.213 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417843038 500182493 /nfs/dbraw/zinc/18/24/93/500182493.db2.gz QDEREZIVFKRAMQ-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)C1CCCCC1 ZINC000417009350 500183479 /nfs/dbraw/zinc/18/34/79/500183479.db2.gz KGXZEPHWVPMXRM-IBGZPJMESA-N 2 1 364.578 3.061 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000417850268 500183630 /nfs/dbraw/zinc/18/36/30/500183630.db2.gz DUFDAURAHUKJME-SZMVWBNQSA-N 2 1 369.513 3.306 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000417859289 500185545 /nfs/dbraw/zinc/18/55/45/500185545.db2.gz RDZMHSCSNUHKBZ-OAHLLOKOSA-N 2 1 355.486 3.203 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000417860997 500186660 /nfs/dbraw/zinc/18/66/60/500186660.db2.gz WUOIMSILQDOQOI-FNHZYXHNSA-N 2 1 355.486 3.058 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000417873845 500188546 /nfs/dbraw/zinc/18/85/46/500188546.db2.gz JJZYCIXVBUTIPH-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000417873353 500188755 /nfs/dbraw/zinc/18/87/55/500188755.db2.gz JDYSUQLTWOKMDE-NHCUHLMSSA-N 2 1 372.557 3.060 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000417874416 500189450 /nfs/dbraw/zinc/18/94/50/500189450.db2.gz KDYHKPABIZCBKW-XLIONFOSSA-N 2 1 360.546 3.235 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418012282 500214191 /nfs/dbraw/zinc/21/41/91/500214191.db2.gz VVIXATZAQTXBIN-OAUYIBNBSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000418012282 500214189 /nfs/dbraw/zinc/21/41/89/500214189.db2.gz VVIXATZAQTXBIN-OAUYIBNBSA-N 2 1 370.900 3.039 20 0 FGADMP CC1=C[C@H](C)C[N@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430285058 500221670 /nfs/dbraw/zinc/22/16/70/500221670.db2.gz QJUXWUGKFIDEDA-INIZCTEOSA-N 2 1 359.539 3.072 20 0 FGADMP CC1=C[C@H](C)C[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430285058 500221673 /nfs/dbraw/zinc/22/16/73/500221673.db2.gz QJUXWUGKFIDEDA-INIZCTEOSA-N 2 1 359.539 3.072 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418179582 500243574 /nfs/dbraw/zinc/24/35/74/500243574.db2.gz JNJGACBGSKTACB-QAPCUYQASA-N 2 1 366.937 3.022 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(Cl)cc1 ZINC000418192320 500246697 /nfs/dbraw/zinc/24/66/97/500246697.db2.gz YKJIOCBNUKERQJ-BMGDILEWSA-N 2 1 366.937 3.020 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430570096 500256086 /nfs/dbraw/zinc/25/60/86/500256086.db2.gz IJCHMZFYKVEQTC-OAQYLSRUSA-N 2 1 371.550 3.275 20 0 FGADMP CC[NH2+]CC1CC[NH+](CC(=O)N2CC[C@H](C)Sc3ccccc32)CC1 ZINC000430584635 500258484 /nfs/dbraw/zinc/25/84/84/500258484.db2.gz VFDWLFHIPBTOMA-INIZCTEOSA-N 2 1 361.555 3.225 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317788 500261158 /nfs/dbraw/zinc/26/11/58/500261158.db2.gz BCXFPYDJLBEMDZ-GHTZIAJQSA-N 2 1 372.557 3.183 20 0 FGADMP C[C@H](c1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3)[NH+]1CCC(C[NH3+])CC1 ZINC000430629737 500263675 /nfs/dbraw/zinc/26/36/75/500263675.db2.gz QTCHQFSISMGBJD-VXGBXAGGSA-N 2 1 360.527 3.253 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)cc1 ZINC000418336718 500263986 /nfs/dbraw/zinc/26/39/86/500263986.db2.gz XHLAFBNXWJNODP-HKBOAZHASA-N 2 1 372.557 3.467 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418356045 500267460 /nfs/dbraw/zinc/26/74/60/500267460.db2.gz XLAWVEADUYSERN-ICSRJNTNSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000418379463 500270289 /nfs/dbraw/zinc/27/02/89/500270289.db2.gz KNCYDHCBICJOFN-GGPKGHCWSA-N 2 1 364.578 3.190 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000418409477 500273389 /nfs/dbraw/zinc/27/33/89/500273389.db2.gz AIESOVRXSNWKAR-MISYRCLQSA-N 2 1 360.546 3.054 20 0 FGADMP CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418456959 500278827 /nfs/dbraw/zinc/27/88/27/500278827.db2.gz DEQYNNLALYGQHD-HBMCJLEFSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CCC[NH2+]C1 ZINC000430800937 500287363 /nfs/dbraw/zinc/28/73/63/500287363.db2.gz VRQMQUDJRARZGJ-JRBPQWBISA-N 2 1 373.541 3.260 20 0 FGADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000422719920 500289139 /nfs/dbraw/zinc/28/91/39/500289139.db2.gz RQDAAQSGHGNCLW-CIAFKFPVSA-N 2 1 359.558 3.206 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717783 500289180 /nfs/dbraw/zinc/28/91/80/500289180.db2.gz PDZAWJOVPGVOFB-FXAWDEMLSA-N 3 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717783 500289183 /nfs/dbraw/zinc/28/91/83/500289183.db2.gz PDZAWJOVPGVOFB-FXAWDEMLSA-N 2 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717783 500289185 /nfs/dbraw/zinc/28/91/85/500289185.db2.gz PDZAWJOVPGVOFB-FXAWDEMLSA-N 2 1 352.526 3.064 20 0 FGADMP c1ccc(C[NH+]2CCCCCC2)c(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422720414 500290164 /nfs/dbraw/zinc/29/01/64/500290164.db2.gz ZKSHFBICUSPPRT-RJGXRXQPSA-N 2 1 371.569 3.309 20 0 FGADMP C[N@@H+](Cc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C1CCCCC1 ZINC000422727684 500291024 /nfs/dbraw/zinc/29/10/24/500291024.db2.gz DBUWVZOKMZWEHW-XZOQPEGZSA-N 2 1 371.569 3.308 20 0 FGADMP CCCC[N@@H+]1CCCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739823 500292159 /nfs/dbraw/zinc/29/21/59/500292159.db2.gz LXOYWDHRNHOLGP-CBQOVEMMSA-N 2 1 357.542 3.487 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422739823 500292160 /nfs/dbraw/zinc/29/21/60/500292160.db2.gz LXOYWDHRNHOLGP-CBQOVEMMSA-N 2 1 357.542 3.487 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC000579490781 506187730 /nfs/dbraw/zinc/18/77/30/506187730.db2.gz HAWXJHWKGZSTCN-LJQANCHMSA-N 2 1 363.933 3.277 20 0 FGADMP C[N@@H+](CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804122 500300467 /nfs/dbraw/zinc/30/04/67/500300467.db2.gz KBAWXJLYWCNFMK-UNMCSNQZSA-N 2 1 357.542 3.487 20 0 FGADMP C[N@H+](CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804122 500300469 /nfs/dbraw/zinc/30/04/69/500300469.db2.gz KBAWXJLYWCNFMK-UNMCSNQZSA-N 3 1 357.542 3.487 20 0 FGADMP C[N@@H+](CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422804122 500300472 /nfs/dbraw/zinc/30/04/72/500300472.db2.gz KBAWXJLYWCNFMK-UNMCSNQZSA-N 3 1 357.542 3.487 20 0 FGADMP COc1ccc([C@H](NC[C@H](c2ccsc2)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422809846 500301033 /nfs/dbraw/zinc/30/10/33/500301033.db2.gz SLTNCBDWOYUUTN-ZCNNSNEGSA-N 2 1 359.539 3.442 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCCC[C@@H]3N)CC2)c1 ZINC000422815500 500302067 /nfs/dbraw/zinc/30/20/67/500302067.db2.gz XRLRVWBLXMYAQN-FCHUYYIVSA-N 2 1 358.574 3.147 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000430910739 500305404 /nfs/dbraw/zinc/30/54/04/500305404.db2.gz XJHOCHLDPSYLMW-AYWYSENESA-N 2 1 357.542 3.453 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC2)cc1 ZINC000418687138 500308238 /nfs/dbraw/zinc/30/82/38/500308238.db2.gz CYEYFGZERFMEHC-SFHVURJKSA-N 2 1 360.546 3.155 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422874442 500308849 /nfs/dbraw/zinc/30/88/49/500308849.db2.gz CYKHHVPDBSTDMA-SYYKKAFVSA-N 3 1 357.542 3.487 20 0 FGADMP CCCN(C(=O)N[C@H](C)CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418694618 500309152 /nfs/dbraw/zinc/30/91/52/500309152.db2.gz WAOLXMUNMKOINO-QUCCMNQESA-N 2 1 360.546 3.200 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878226 500309729 /nfs/dbraw/zinc/30/97/29/500309729.db2.gz JPVQZBSQVBDNNW-JAZLEBMFSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H](CN1C[C@H](C)C[C@H](C)C1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422878226 500309732 /nfs/dbraw/zinc/30/97/32/500309732.db2.gz JPVQZBSQVBDNNW-JAZLEBMFSA-N 2 1 357.542 3.198 20 0 FGADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2ccc(Br)cc2)CCOCC1 ZINC000422884143 500310036 /nfs/dbraw/zinc/31/00/36/500310036.db2.gz WIFAIPAXOWBTBT-PBHICJAKSA-N 2 1 367.331 3.085 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)CC1 ZINC000430947681 500312013 /nfs/dbraw/zinc/31/20/13/500312013.db2.gz BYBRZVWSKVOYOE-UHFFFAOYSA-N 2 1 372.538 3.064 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(Br)s3)no2)CC1 ZINC000430958771 500313564 /nfs/dbraw/zinc/31/35/64/500313564.db2.gz UFTXMRGUUOMMRK-VIFPVBQESA-N 2 1 371.304 3.120 20 0 FGADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000422908938 500315581 /nfs/dbraw/zinc/31/55/81/500315581.db2.gz DXZGFSJKPZGWCR-FCHUYYIVSA-N 3 1 351.494 3.396 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc(Br)c1OC ZINC000422947707 500321639 /nfs/dbraw/zinc/32/16/39/500321639.db2.gz QZKMJOXUIDOUIM-ZIAGYGMSSA-N 2 1 357.292 3.216 20 0 FGADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)ccc1OCC[NH+]1CCCC1 ZINC000426891917 500334236 /nfs/dbraw/zinc/33/42/36/500334236.db2.gz SBMUUGOYESQSNP-LJQANCHMSA-N 2 1 357.498 3.035 20 0 FGADMP Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1Br ZINC000423066033 500337333 /nfs/dbraw/zinc/33/73/33/500337333.db2.gz CPFCNMLFILPUAL-ARFHVFGLSA-N 2 1 353.304 3.004 20 0 FGADMP CC(C)C[C@@H](C[NH+]1CCCC1)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423144503 500347881 /nfs/dbraw/zinc/34/78/81/500347881.db2.gz HGPIPTOWTZLDOS-CZTZKLFOSA-N 2 1 357.542 3.342 20 0 FGADMP CCc1ccc([C@H]([NH2+]CC[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423227320 500356081 /nfs/dbraw/zinc/35/60/81/500356081.db2.gz VHIUZUJHUOYCRU-YWZLYKJASA-N 2 1 360.523 3.069 20 0 FGADMP CC[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000423271093 500360552 /nfs/dbraw/zinc/36/05/52/500360552.db2.gz XEWYUQIGBQYGRL-OALUTQOASA-N 2 1 361.530 3.102 20 0 FGADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCc3c(cccc3OC)C2)cc1 ZINC000423336519 500365473 /nfs/dbraw/zinc/36/54/73/500365473.db2.gz QJMOQAKHVOIQOT-CBQOVEMMSA-N 2 1 366.505 3.296 20 0 FGADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000423361978 500367474 /nfs/dbraw/zinc/36/74/74/500367474.db2.gz HIDGPIQFFOUUAN-YZLZLFLDSA-N 2 1 374.479 3.460 20 0 FGADMP CCOC(=O)C1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423369348 500368053 /nfs/dbraw/zinc/36/80/53/500368053.db2.gz OKPPSARLUVHPLN-VLEUTVDFSA-N 2 1 366.452 3.122 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423397906 500370595 /nfs/dbraw/zinc/37/05/95/500370595.db2.gz CJMPTKGWPROVLY-YPAWHYETSA-N 3 1 371.569 3.035 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC[NH2+]CC1 ZINC000423397906 500370597 /nfs/dbraw/zinc/37/05/97/500370597.db2.gz CJMPTKGWPROVLY-YPAWHYETSA-N 2 1 371.569 3.035 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576582221 506191685 /nfs/dbraw/zinc/19/16/85/506191685.db2.gz VEVUYXOXRHEWHC-IXDGSTSKSA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000576582221 506191691 /nfs/dbraw/zinc/19/16/91/506191691.db2.gz VEVUYXOXRHEWHC-IXDGSTSKSA-N 2 1 367.896 3.120 20 0 FGADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(OC(F)F)c1 ZINC000423503756 500380036 /nfs/dbraw/zinc/38/00/36/500380036.db2.gz GAAGEYSRMWUYMI-ODIFPOPNSA-N 2 1 353.457 3.155 20 0 FGADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CCCO2 ZINC000423519759 500381822 /nfs/dbraw/zinc/38/18/22/500381822.db2.gz QLVDQDVLRZDSTA-GZNCHQMQSA-N 2 1 357.542 3.323 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000431572948 500393835 /nfs/dbraw/zinc/39/38/35/500393835.db2.gz YWVAYRMHUIOONK-AZUAARDMSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000579517037 506193004 /nfs/dbraw/zinc/19/30/04/506193004.db2.gz NXRBMGKBCRFZSI-WOJBJXKFSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000579517037 506193007 /nfs/dbraw/zinc/19/30/07/506193007.db2.gz NXRBMGKBCRFZSI-WOJBJXKFSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000579517037 506193012 /nfs/dbraw/zinc/19/30/12/506193012.db2.gz NXRBMGKBCRFZSI-WOJBJXKFSA-N 2 1 374.573 3.461 20 0 FGADMP CC[C@@H](C)[C@@H](C)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000431689309 500409163 /nfs/dbraw/zinc/40/91/63/500409163.db2.gz BKJHDIZCCUXCCM-QZTJIDSGSA-N 2 1 366.594 3.259 20 0 FGADMP CN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)[C@@H](C[NH3+])C1CC1 ZINC000423940301 500421952 /nfs/dbraw/zinc/42/19/52/500421952.db2.gz ACPBBAKRWQZUMF-NRFANRHFSA-N 2 1 351.494 3.128 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000431793928 500426125 /nfs/dbraw/zinc/42/61/25/500426125.db2.gz IOVXSGDDNQFARC-NEWSRXKRSA-N 2 1 363.550 3.027 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)cc1OC ZINC000420301641 500437473 /nfs/dbraw/zinc/43/74/73/500437473.db2.gz AQDVYSSIZQVQEJ-AWEZNQCLSA-N 2 1 361.511 3.388 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000420316692 500439841 /nfs/dbraw/zinc/43/98/41/500439841.db2.gz MDZLZQYCXBWXJX-SVFBPWRDSA-N 2 1 359.558 3.324 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2Cc2ccccc2OC)cc1 ZINC000420313316 500439991 /nfs/dbraw/zinc/43/99/91/500439991.db2.gz XXSOXRVPMIDUAK-WOJBJXKFSA-N 2 1 354.494 3.453 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317020 500440258 /nfs/dbraw/zinc/44/02/58/500440258.db2.gz UHBFRXMNPKBCLC-BLLLJJGKSA-N 2 1 356.297 3.160 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)C1 ZINC000420317020 500440261 /nfs/dbraw/zinc/44/02/61/500440261.db2.gz UHBFRXMNPKBCLC-BLLLJJGKSA-N 2 1 356.297 3.160 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420330694 500442565 /nfs/dbraw/zinc/44/25/65/500442565.db2.gz BEMFHGNDUXRMJF-NZSAHSFTSA-N 2 1 351.494 3.488 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccc(Cl)cc3)no2)CC12CCOCC2 ZINC000420334299 500443333 /nfs/dbraw/zinc/44/33/33/500443333.db2.gz UDMLUNMRTDPLTO-HNNXBMFYSA-N 2 1 361.873 3.182 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420331427 500443528 /nfs/dbraw/zinc/44/35/28/500443528.db2.gz BXORDXZSRLBSFW-USNOLKROSA-N 2 1 357.542 3.136 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345012 500445737 /nfs/dbraw/zinc/44/57/37/500445737.db2.gz VOBDQJCNHDXNJM-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000420353187 500445948 /nfs/dbraw/zinc/44/59/48/500445948.db2.gz BJBWMCJIOHMYIN-FXAWDEMLSA-N 2 1 371.500 3.255 20 0 FGADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420363530 500447920 /nfs/dbraw/zinc/44/79/20/500447920.db2.gz NYPHLNAFVXVIMS-IEBWSBKVSA-N 2 1 359.539 3.307 20 0 FGADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cccc(Br)c1)C1CCCCC1 ZINC000420366263 500448292 /nfs/dbraw/zinc/44/82/92/500448292.db2.gz LYVRBUHYYSYNQZ-INIZCTEOSA-N 2 1 368.319 3.275 20 0 FGADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420374935 500450062 /nfs/dbraw/zinc/45/00/62/500450062.db2.gz IDSZLSGZWWTTAE-LJQANCHMSA-N 2 1 371.529 3.140 20 0 FGADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420375384 500450462 /nfs/dbraw/zinc/45/04/62/500450462.db2.gz SWILZYKLOFJNNA-IMAQQZIHSA-N 2 1 371.550 3.320 20 0 FGADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420380529 500451755 /nfs/dbraw/zinc/45/17/55/500451755.db2.gz CCTIMKLDFCRZMK-XKGZKEIXSA-N 2 1 361.505 3.199 20 0 FGADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)[C@@H](C)c1ccc(F)cc1 ZINC000420380529 500451757 /nfs/dbraw/zinc/45/17/57/500451757.db2.gz CCTIMKLDFCRZMK-XKGZKEIXSA-N 2 1 361.505 3.199 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401284 500455154 /nfs/dbraw/zinc/45/51/54/500455154.db2.gz PEOZZJCQVREIFO-JLMWRMLUSA-N 2 1 365.521 3.481 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1cccc2ccccc21 ZINC000420401284 500455159 /nfs/dbraw/zinc/45/51/59/500455159.db2.gz PEOZZJCQVREIFO-JLMWRMLUSA-N 2 1 365.521 3.481 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034277 500460939 /nfs/dbraw/zinc/46/09/39/500460939.db2.gz NUVOCRATDJGJLE-LAUBAEHRSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000428034277 500460941 /nfs/dbraw/zinc/46/09/41/500460941.db2.gz NUVOCRATDJGJLE-LAUBAEHRSA-N 2 1 365.477 3.491 20 0 FGADMP CC(C)[N@@H+]1CCO[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000420483161 500463188 /nfs/dbraw/zinc/46/31/88/500463188.db2.gz MOOQJSGOILPWBJ-GOSISDBHSA-N 2 1 356.470 3.114 20 0 FGADMP CC(C)[N@H+]1CCO[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000420483161 500463189 /nfs/dbraw/zinc/46/31/89/500463189.db2.gz MOOQJSGOILPWBJ-GOSISDBHSA-N 2 1 356.470 3.114 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCOc1ccc(Br)cc1)CC[NH2+]CC2 ZINC000424301907 500483766 /nfs/dbraw/zinc/48/37/66/500483766.db2.gz YFZWZFRCXOIELZ-AWEZNQCLSA-N 2 1 353.304 3.292 20 0 FGADMP CC(C)C[C@H]([NH2+]Cc1csc(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000432252069 500488800 /nfs/dbraw/zinc/48/88/00/500488800.db2.gz DSEZTJVQTDHXST-LBPRGKRZSA-N 2 1 366.358 3.237 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420797165 500503430 /nfs/dbraw/zinc/50/34/30/500503430.db2.gz GQVDZBGHSZIZES-PPXMBRMGSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800752 500504421 /nfs/dbraw/zinc/50/44/21/500504421.db2.gz JRYAQFGDCQWWMM-GHOZHQTGSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420813656 500508174 /nfs/dbraw/zinc/50/81/74/500508174.db2.gz YMLPVOGKYTVSBG-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000420813656 500508177 /nfs/dbraw/zinc/50/81/77/500508177.db2.gz YMLPVOGKYTVSBG-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CC3 ZINC000432420659 500513817 /nfs/dbraw/zinc/51/38/17/500513817.db2.gz CLABMPIKICETCJ-MSOLQXFVSA-N 2 1 355.526 3.424 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC3 ZINC000432420659 500513819 /nfs/dbraw/zinc/51/38/19/500513819.db2.gz CLABMPIKICETCJ-MSOLQXFVSA-N 2 1 355.526 3.424 20 0 FGADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542877 500523529 /nfs/dbraw/zinc/52/35/29/500523529.db2.gz FKFXJGZXKHXFAX-SIKLNZKXSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)CC1CCOCC1 ZINC000428542877 500523532 /nfs/dbraw/zinc/52/35/32/500523532.db2.gz FKFXJGZXKHXFAX-SIKLNZKXSA-N 2 1 360.542 3.320 20 0 FGADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000420899188 500525510 /nfs/dbraw/zinc/52/55/10/500525510.db2.gz FGKDIWIPQTYTAR-QHCPKHFHSA-N 2 1 366.505 3.265 20 0 FGADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1OCCc2ccccc21 ZINC000420899188 500525512 /nfs/dbraw/zinc/52/55/12/500525512.db2.gz FGKDIWIPQTYTAR-QHCPKHFHSA-N 2 1 366.505 3.265 20 0 FGADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420920505 500531248 /nfs/dbraw/zinc/53/12/48/500531248.db2.gz JVPQVCASNZZOLJ-HXUWFJFHSA-N 2 1 374.525 3.073 20 0 FGADMP Clc1cnn(C2CC[NH+](Cc3ccc(C[NH+]4CCOCC4)cc3)CC2)c1 ZINC000420938635 500535812 /nfs/dbraw/zinc/53/58/12/500535812.db2.gz MSUQGNOAWIENAG-UHFFFAOYSA-N 2 1 374.916 3.206 20 0 FGADMP OC1CCC2(CC1)CC[NH+](Cc1ccc(C[NH+]3CCOCC3)cc1)CC2 ZINC000420959898 500541170 /nfs/dbraw/zinc/54/11/70/500541170.db2.gz FTQNZQDIAKNPJP-UHFFFAOYSA-N 2 1 358.526 3.036 20 0 FGADMP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981976 500547735 /nfs/dbraw/zinc/54/77/35/500547735.db2.gz ZIYKWNTUCDDVBL-BHDDXSALSA-N 2 1 358.526 3.034 20 0 FGADMP O[C@@H]1CCC[C@H]1[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420981976 500547736 /nfs/dbraw/zinc/54/77/36/500547736.db2.gz ZIYKWNTUCDDVBL-BHDDXSALSA-N 2 1 358.526 3.034 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2nc3ccc(F)cc3s2)ccn1 ZINC000428848668 500565480 /nfs/dbraw/zinc/56/54/80/500565480.db2.gz FMCSLBVFQAWBLC-UHFFFAOYSA-N 2 1 360.458 3.061 20 0 FGADMP [NH3+]CC[C@@H]1CCCN(C(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)C1 ZINC000442601151 500603558 /nfs/dbraw/zinc/60/35/58/500603558.db2.gz PZFJERHEPNWIQI-QFIPXVFZSA-N 2 1 365.521 3.276 20 0 FGADMP CC[C@@H]1CN(CC[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCO1 ZINC000576656174 506206163 /nfs/dbraw/zinc/20/61/63/506206163.db2.gz LURMSIAYQBJUGQ-LZBANZJXSA-N 2 1 359.558 3.130 20 0 FGADMP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1(C)C ZINC000442871517 500637087 /nfs/dbraw/zinc/63/70/87/500637087.db2.gz HWRNSPVFZCNIAS-FQEVSTJZSA-N 2 1 374.479 3.065 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1(C)C ZINC000442871517 500637089 /nfs/dbraw/zinc/63/70/89/500637089.db2.gz HWRNSPVFZCNIAS-FQEVSTJZSA-N 2 1 374.479 3.065 20 0 FGADMP C[C@H]1CCCN(C(=O)C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000433185681 500642188 /nfs/dbraw/zinc/64/21/88/500642188.db2.gz BCGBPFUWLQPNJL-FQEVSTJZSA-N 2 1 369.553 3.233 20 0 FGADMP Cc1nc(-c2cccc(NC(=O)C[N@H+]3CCC[C@H](CC[NH3+])C3)c2)cs1 ZINC000443058328 500670860 /nfs/dbraw/zinc/67/08/60/500670860.db2.gz KAYRGSRAOCFNRI-OAHLLOKOSA-N 2 1 358.511 3.118 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409901 500720663 /nfs/dbraw/zinc/72/06/63/500720663.db2.gz YHLQNLDTPJHPNR-BHYGNILZSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409901 500720666 /nfs/dbraw/zinc/72/06/66/500720666.db2.gz YHLQNLDTPJHPNR-BHYGNILZSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000443409901 500720670 /nfs/dbraw/zinc/72/06/70/500720670.db2.gz YHLQNLDTPJHPNR-BHYGNILZSA-N 2 1 358.448 3.413 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000438051468 500731880 /nfs/dbraw/zinc/73/18/80/500731880.db2.gz QWQWSTPOKCDBSC-AEFFLSMTSA-N 2 1 362.518 3.011 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000448209491 500733627 /nfs/dbraw/zinc/73/36/27/500733627.db2.gz RJHODYVXDSZYRV-AEFFLSMTSA-N 2 1 366.575 3.018 20 0 FGADMP Cc1nn(C)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1Br ZINC000448334407 500748509 /nfs/dbraw/zinc/74/85/09/500748509.db2.gz YYLRXCVEGDDHKO-UHFFFAOYSA-N 2 1 357.340 3.045 20 0 FGADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170453 500749754 /nfs/dbraw/zinc/74/97/54/500749754.db2.gz XVEBOVNVMKCYQF-QZTJIDSGSA-N 2 1 358.448 3.415 20 0 FGADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000438170453 500749757 /nfs/dbraw/zinc/74/97/57/500749757.db2.gz XVEBOVNVMKCYQF-QZTJIDSGSA-N 2 1 358.448 3.415 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438186895 500751756 /nfs/dbraw/zinc/75/17/56/500751756.db2.gz GGZMOSGJOVMSEB-NQSCKRDGSA-N 2 1 356.485 3.229 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438186895 500751757 /nfs/dbraw/zinc/75/17/57/500751757.db2.gz GGZMOSGJOVMSEB-NQSCKRDGSA-N 2 1 356.485 3.229 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438318535 500768916 /nfs/dbraw/zinc/76/89/16/500768916.db2.gz DRPZNIWJPQCUAB-IBGZPJMESA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000438348436 500774442 /nfs/dbraw/zinc/77/44/42/500774442.db2.gz XKLCFBPEXLTDNB-PXNSSMCTSA-N 2 1 364.578 3.155 20 0 FGADMP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000438348698 500774506 /nfs/dbraw/zinc/77/45/06/500774506.db2.gz YKFZQZNMEHVAJQ-HXUWFJFHSA-N 2 1 364.578 3.157 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438571826 500802990 /nfs/dbraw/zinc/80/29/90/500802990.db2.gz BFKPROQUCDEGNR-SFTDATJTSA-N 2 1 355.526 3.347 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000444580518 500861535 /nfs/dbraw/zinc/86/15/35/500861535.db2.gz CTBQGMMQOHRZSN-VKJFTORMSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000444580518 500861538 /nfs/dbraw/zinc/86/15/38/500861538.db2.gz CTBQGMMQOHRZSN-VKJFTORMSA-N 2 1 355.486 3.024 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000439141269 500863018 /nfs/dbraw/zinc/86/30/18/500863018.db2.gz MZKBKACGZSHWAY-IAGOWNOFSA-N 2 1 366.575 3.161 20 0 FGADMP COC(=O)c1[nH]c(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)cc1C ZINC000602572540 506221161 /nfs/dbraw/zinc/22/11/61/506221161.db2.gz QHUAXCYOEPKVQT-AWEZNQCLSA-N 2 1 352.438 3.455 20 0 FGADMP C[C@H]1[NH2+]CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)[C@H]1C ZINC000434673557 500877466 /nfs/dbraw/zinc/87/74/66/500877466.db2.gz QWJZBDKEDQMESD-MSOLQXFVSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@](C)(CCc3ccccc3)C2)CC1 ZINC000434905073 500910296 /nfs/dbraw/zinc/91/02/96/500910296.db2.gz IBADZJZOISDGAH-QHCPKHFHSA-N 2 1 371.569 3.320 20 0 FGADMP C[C@H](C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449080918 500919661 /nfs/dbraw/zinc/91/96/61/500919661.db2.gz AHCRFIXMHROQHN-FGTMMUONSA-N 2 1 366.571 3.151 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(=O)N(C)C2CCCCC2)CC1 ZINC000449178699 500941940 /nfs/dbraw/zinc/94/19/40/500941940.db2.gz UGBRYJZEWWXDBN-LJQANCHMSA-N 2 1 371.569 3.463 20 0 FGADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@H](O)C(F)(F)F ZINC000449204665 500947209 /nfs/dbraw/zinc/94/72/09/500947209.db2.gz JYQLMIZLDOLSAK-WBAXXEDZSA-N 2 1 358.448 3.373 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@](C)(O)C(=O)OC(C)(C)C)CC1 ZINC000449243198 500956145 /nfs/dbraw/zinc/95/61/45/500956145.db2.gz IXOZHSJPLSNQJK-NRFANRHFSA-N 2 1 370.578 3.348 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000449255437 500958649 /nfs/dbraw/zinc/95/86/49/500958649.db2.gz DJDKWTHWFNYJPS-DLBZAZTESA-N 2 1 352.544 3.048 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435372979 500961517 /nfs/dbraw/zinc/96/15/17/500961517.db2.gz CJSBUMXJRLBILC-UTKZUKDTSA-N 2 1 361.493 3.163 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)CC[C@@H]1[NH3+] ZINC000435372979 500961518 /nfs/dbraw/zinc/96/15/18/500961518.db2.gz CJSBUMXJRLBILC-UTKZUKDTSA-N 2 1 361.493 3.163 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000435380479 500963426 /nfs/dbraw/zinc/96/34/26/500963426.db2.gz NZVHMNUDRCIDMI-POZUXBRTSA-N 2 1 360.452 3.327 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OCc1cccnc1 ZINC000435383337 500964284 /nfs/dbraw/zinc/96/42/84/500964284.db2.gz GQESNHIBCQHBKZ-SLFFLAALSA-N 2 1 367.493 3.228 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]21 ZINC000435382643 500964509 /nfs/dbraw/zinc/96/45/09/500964509.db2.gz DXYYXDPQCRAEGL-VLCRHTCISA-N 2 1 373.504 3.494 20 0 FGADMP O=c1[nH]c2ccccc2cc1C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435390865 500966915 /nfs/dbraw/zinc/96/69/15/500966915.db2.gz QOVFGYCLFUTAAU-HXUWFJFHSA-N 2 1 362.477 3.480 20 0 FGADMP O=c1[nH]c2ccccc2cc1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435390865 500966918 /nfs/dbraw/zinc/96/69/18/500966918.db2.gz QOVFGYCLFUTAAU-HXUWFJFHSA-N 2 1 362.477 3.480 20 0 FGADMP Cn1ccnc1C[N@H+](Cc1cccc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435431452 500973816 /nfs/dbraw/zinc/97/38/16/500973816.db2.gz DHGGWCCULPXWAL-IBGZPJMESA-N 2 1 361.493 3.113 20 0 FGADMP Cn1ccnc1C[N@@H+](Cc1cccc2cccnc21)[C@H]1CC12CC[NH2+]CC2 ZINC000435431452 500973818 /nfs/dbraw/zinc/97/38/18/500973818.db2.gz DHGGWCCULPXWAL-IBGZPJMESA-N 2 1 361.493 3.113 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000449314499 500974015 /nfs/dbraw/zinc/97/40/15/500974015.db2.gz RDXIJUPENXMQRL-UWJYYQICSA-N 2 1 352.526 3.483 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115664 500976478 /nfs/dbraw/zinc/97/64/78/500976478.db2.gz BPQAJQFTNIWCFY-SLYNCCJLSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115664 500976481 /nfs/dbraw/zinc/97/64/81/500976481.db2.gz BPQAJQFTNIWCFY-SLYNCCJLSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115664 500976484 /nfs/dbraw/zinc/97/64/84/500976484.db2.gz BPQAJQFTNIWCFY-SLYNCCJLSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2cccc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000449364938 500987655 /nfs/dbraw/zinc/98/76/55/500987655.db2.gz UKZNWJHZADQPKM-WTNAPCKOSA-N 2 1 356.485 3.372 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486448 501015168 /nfs/dbraw/zinc/01/51/68/501015168.db2.gz SHXLWVOEAPUOTO-ZWKOTPCHSA-N 2 1 362.514 3.252 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498372 501018456 /nfs/dbraw/zinc/01/84/56/501018456.db2.gz LEYBKOIBJYSCNW-HJNYFJLDSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498372 501018458 /nfs/dbraw/zinc/01/84/58/501018458.db2.gz LEYBKOIBJYSCNW-HJNYFJLDSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498372 501018462 /nfs/dbraw/zinc/01/84/62/501018462.db2.gz LEYBKOIBJYSCNW-HJNYFJLDSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3C(C)=CCC[C@H]3C)C2)CC1 ZINC000449498372 501018464 /nfs/dbraw/zinc/01/84/64/501018464.db2.gz LEYBKOIBJYSCNW-HJNYFJLDSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504180 501019888 /nfs/dbraw/zinc/01/98/88/501019888.db2.gz QHQAVCLAESNITO-NYVOZVTQSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504180 501019890 /nfs/dbraw/zinc/01/98/90/501019890.db2.gz QHQAVCLAESNITO-NYVOZVTQSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504180 501019892 /nfs/dbraw/zinc/01/98/92/501019892.db2.gz QHQAVCLAESNITO-NYVOZVTQSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000449504180 501019894 /nfs/dbraw/zinc/01/98/94/501019894.db2.gz QHQAVCLAESNITO-NYVOZVTQSA-N 2 1 361.574 3.245 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000449550155 501030706 /nfs/dbraw/zinc/03/07/06/501030706.db2.gz CJKKCSKMVBEBNP-RZUBCFFCSA-N 2 1 371.569 3.202 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445851230 501040890 /nfs/dbraw/zinc/04/08/90/501040890.db2.gz BKVIKXHXJOINLN-GOSISDBHSA-N 2 1 372.557 3.202 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000449615787 501044342 /nfs/dbraw/zinc/04/43/42/501044342.db2.gz ABLSBFSYVUPKKB-HXUWFJFHSA-N 2 1 359.558 3.202 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000445871191 501044781 /nfs/dbraw/zinc/04/47/81/501044781.db2.gz JENHCUSSWBVXTM-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@H+](Cc2ccccc2)C1 ZINC000436236196 501093332 /nfs/dbraw/zinc/09/33/32/501093332.db2.gz DPNGPYKESQUGAU-OAQYLSRUSA-N 2 1 353.441 3.034 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cc3c(cccc3F)[nH]2)CC[N@@H+](Cc2ccccc2)C1 ZINC000436236196 501093334 /nfs/dbraw/zinc/09/33/34/501093334.db2.gz DPNGPYKESQUGAU-OAQYLSRUSA-N 2 1 353.441 3.034 20 0 FGADMP O=C(NCC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000446464988 501123308 /nfs/dbraw/zinc/12/33/08/501123308.db2.gz SXNCCYFDBSRVLG-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)cc2Cl)CC1(C)C ZINC000441353409 501125968 /nfs/dbraw/zinc/12/59/68/501125968.db2.gz ZIPGNXPFRDRZOT-UHFFFAOYSA-N 2 1 374.754 3.218 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446625386 501143805 /nfs/dbraw/zinc/14/38/05/501143805.db2.gz SYCHRPQGXFWXNL-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP COC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCC1 ZINC000446758969 501162640 /nfs/dbraw/zinc/16/26/40/501162640.db2.gz MLNNSAWZKIRNAX-VXKWHMMOSA-N 2 1 359.558 3.160 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C(C)(F)F ZINC000450060879 501168154 /nfs/dbraw/zinc/16/81/54/501168154.db2.gz OILQWYHJCMOLIQ-UHFFFAOYSA-N 2 1 373.532 3.323 20 0 FGADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000450984878 501236924 /nfs/dbraw/zinc/23/69/24/501236924.db2.gz YPQIGLCWDWMJIS-DHIUTWEWSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000450984878 501236925 /nfs/dbraw/zinc/23/69/25/501236925.db2.gz YPQIGLCWDWMJIS-DHIUTWEWSA-N 2 1 350.506 3.188 20 0 FGADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000450984878 501236926 /nfs/dbraw/zinc/23/69/26/501236926.db2.gz YPQIGLCWDWMJIS-DHIUTWEWSA-N 2 1 350.506 3.188 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H](c3ccccc3)[C@H]2C)CC1 ZINC000451179115 501250224 /nfs/dbraw/zinc/25/02/24/501250224.db2.gz CKWOTIGVTWGVID-OPYAIIAOSA-N 2 1 357.542 3.242 20 0 FGADMP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000453065000 501261445 /nfs/dbraw/zinc/26/14/45/501261445.db2.gz HFWREZKTFHXKDC-XQBPLPMBSA-N 2 1 370.541 3.307 20 0 FGADMP CC[C@H](CC(F)F)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000457620574 501269378 /nfs/dbraw/zinc/26/93/78/501269378.db2.gz FAJMHGQJEMFANJ-QGZVFWFLSA-N 2 1 373.532 3.323 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H](C3CC3)C3CCCC3)c2)C1 ZINC000453110749 501271712 /nfs/dbraw/zinc/27/17/12/501271712.db2.gz OIMCPZDARSPLHT-VXKWHMMOSA-N 2 1 369.553 3.442 20 0 FGADMP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)C2 ZINC000453125832 501274077 /nfs/dbraw/zinc/27/40/77/501274077.db2.gz ATDIQHFTPADGAR-JBPLPALLSA-N 2 1 350.510 3.300 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000457653756 501278705 /nfs/dbraw/zinc/27/87/05/501278705.db2.gz ONTKPNKRFKUSNX-QGZVFWFLSA-N 2 1 360.546 3.200 20 0 FGADMP CN(C(=O)c1[nH]ccc1C1CC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000457661569 501280941 /nfs/dbraw/zinc/28/09/41/501280941.db2.gz GWGOIGMUOLPUQT-VQTJNVASSA-N 2 1 372.557 3.301 20 0 FGADMP COC1([C@H](C)[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453179611 501286563 /nfs/dbraw/zinc/28/65/63/501286563.db2.gz UYIFFJAICJPTRK-DYXWJJEUSA-N 2 1 360.542 3.461 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000453305038 501312038 /nfs/dbraw/zinc/31/20/38/501312038.db2.gz GPRIRZNFRWGETA-SOLBZPMBSA-N 2 1 364.530 3.353 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000453305036 501312285 /nfs/dbraw/zinc/31/22/85/501312285.db2.gz GPRIRZNFRWGETA-LZLYRXPVSA-N 2 1 364.530 3.353 20 0 FGADMP CCc1ccccc1C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525581 501313030 /nfs/dbraw/zinc/31/30/30/501313030.db2.gz GIKRIZUYYCXKLL-HXUWFJFHSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccccc1C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451525581 501313031 /nfs/dbraw/zinc/31/30/31/501313031.db2.gz GIKRIZUYYCXKLL-HXUWFJFHSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccccc1C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525581 501313033 /nfs/dbraw/zinc/31/30/33/501313033.db2.gz GIKRIZUYYCXKLL-HXUWFJFHSA-N 2 1 357.542 3.015 20 0 FGADMP CCc1ccccc1C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451525581 501313034 /nfs/dbraw/zinc/31/30/34/501313034.db2.gz GIKRIZUYYCXKLL-HXUWFJFHSA-N 2 1 357.542 3.015 20 0 FGADMP CC[C@H]1CN(C(=O)N[C@@H](C)c2nccn2CC)CCN1Cc1ccccc1 ZINC000455479868 501314145 /nfs/dbraw/zinc/31/41/45/501314145.db2.gz VQDUNTJQEAENKA-HKUYNNGSSA-N 2 1 369.513 3.270 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000455483498 501315235 /nfs/dbraw/zinc/31/52/35/501315235.db2.gz YDOMPDJMCAVAPL-OTYNDTSQSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000455483498 501315238 /nfs/dbraw/zinc/31/52/38/501315238.db2.gz YDOMPDJMCAVAPL-OTYNDTSQSA-N 2 1 372.557 3.067 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455483498 501315243 /nfs/dbraw/zinc/31/52/43/501315243.db2.gz YDOMPDJMCAVAPL-OTYNDTSQSA-N 2 1 372.557 3.067 20 0 FGADMP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453595735 501356934 /nfs/dbraw/zinc/35/69/34/501356934.db2.gz KQRVFUWKCSZSCM-UHFFFAOYSA-N 2 1 358.935 3.098 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000458093792 501371189 /nfs/dbraw/zinc/37/11/89/501371189.db2.gz QNJLWMGFJGKIOA-FQEVSTJZSA-N 2 1 374.573 3.461 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@]4(C3)CCC[N@@H+](C)C4)ccc21 ZINC000455864514 501402294 /nfs/dbraw/zinc/40/22/94/501402294.db2.gz SYYXJAJUFQVAGU-CTNGQTDRSA-N 2 1 356.514 3.185 20 0 FGADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451977196 501412278 /nfs/dbraw/zinc/41/22/78/501412278.db2.gz ZYOLDKQWRMRQOE-HXUWFJFHSA-N 2 1 359.489 3.014 20 0 FGADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451977196 501412279 /nfs/dbraw/zinc/41/22/79/501412279.db2.gz ZYOLDKQWRMRQOE-HXUWFJFHSA-N 2 1 359.489 3.014 20 0 FGADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)ccc21 ZINC000455924901 501417286 /nfs/dbraw/zinc/41/72/86/501417286.db2.gz MTMYBHHPQOORRC-PWIZWCRZSA-N 2 1 356.514 3.184 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455933966 501419887 /nfs/dbraw/zinc/41/98/87/501419887.db2.gz QSIFPSICKZZRDM-QUCCMNQESA-N 2 1 358.530 3.477 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396859 501435536 /nfs/dbraw/zinc/43/55/36/501435536.db2.gz DCZLDQDXQLQRQD-RTBURBONSA-N 2 1 372.557 3.243 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000454344509 501519149 /nfs/dbraw/zinc/51/91/49/501519149.db2.gz URSUHSMTGUOQPW-OAQYLSRUSA-N 2 1 372.557 3.216 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000588276174 506257985 /nfs/dbraw/zinc/25/79/85/506257985.db2.gz KOXHLMRZTGLKNY-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000588276174 506257987 /nfs/dbraw/zinc/25/79/87/506257987.db2.gz KOXHLMRZTGLKNY-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C(C)C ZINC000588276174 506257994 /nfs/dbraw/zinc/25/79/94/506257994.db2.gz KOXHLMRZTGLKNY-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CSc1ccc([C@@H](CNC(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)C)cc1 ZINC000458792338 501532949 /nfs/dbraw/zinc/53/29/49/501532949.db2.gz QSMPFAXDTTVLJT-CRAIPNDOSA-N 2 1 366.575 3.039 20 0 FGADMP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458983992 501570986 /nfs/dbraw/zinc/57/09/86/501570986.db2.gz DVYVVUKNVDHAHA-UMGGQSCQSA-N 2 1 364.578 3.011 20 0 FGADMP C[N@H+]1CCC[C@H]1C(=O)N1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000452845173 501572877 /nfs/dbraw/zinc/57/28/77/501572877.db2.gz LAZLRKBMDYPTMG-LEWJYISDSA-N 2 1 369.553 3.230 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)NCCCC[N@@H+](C)C1CC1)c1ccc(Cl)cc1 ZINC000459133042 501600645 /nfs/dbraw/zinc/60/06/45/501600645.db2.gz BZFPVVSMSONRRZ-SFHVURJKSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000459326210 501631754 /nfs/dbraw/zinc/63/17/54/501631754.db2.gz WVFRFLHQDOELRW-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000459326210 501631756 /nfs/dbraw/zinc/63/17/56/501631756.db2.gz WVFRFLHQDOELRW-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000459326210 501631757 /nfs/dbraw/zinc/63/17/57/501631757.db2.gz WVFRFLHQDOELRW-SVFBPWRDSA-N 2 1 372.557 3.023 20 0 FGADMP CCOc1cc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc(Cl)c1O ZINC000459340656 501635104 /nfs/dbraw/zinc/63/51/04/501635104.db2.gz NFBXSRQCQVZOCX-INIZCTEOSA-N 2 1 370.921 3.377 20 0 FGADMP CCOc1cc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cc(Cl)c1O ZINC000459340656 501635107 /nfs/dbraw/zinc/63/51/07/501635107.db2.gz NFBXSRQCQVZOCX-INIZCTEOSA-N 2 1 370.921 3.377 20 0 FGADMP CCN1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000459474526 501659972 /nfs/dbraw/zinc/65/99/72/501659972.db2.gz YATCQRJWSCEFRF-AZUAARDMSA-N 2 1 367.459 3.456 20 0 FGADMP Fc1ccc(-c2cn3c(n2)CC[C@H]([NH2+]C2CC[NH+](C4CC4)CC2)C3)c(F)c1 ZINC000459578179 501680156 /nfs/dbraw/zinc/68/01/56/501680156.db2.gz XLEJBDLZBPVIMZ-INIZCTEOSA-N 2 1 372.463 3.360 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459728567 501705423 /nfs/dbraw/zinc/70/54/23/501705423.db2.gz IIKYPGKLMDYWIE-CQSZACIVSA-N 2 1 360.454 3.050 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2cncc(Br)c2)CC1 ZINC000459756636 501709392 /nfs/dbraw/zinc/70/93/92/501709392.db2.gz GPBZBLDYTPVOTP-SJORKVTESA-N 2 1 368.319 3.137 20 0 FGADMP C[N@@H+](CCCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CC1 ZINC000457492836 501709687 /nfs/dbraw/zinc/70/96/87/501709687.db2.gz PSEXQKOFIUSBPR-QGZVFWFLSA-N 2 1 364.559 3.059 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000457535008 501718114 /nfs/dbraw/zinc/71/81/14/501718114.db2.gz SKJQQXMYPCZTAP-QFIPXVFZSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000481315882 501741532 /nfs/dbraw/zinc/74/15/32/501741532.db2.gz ZDYYCRPQQFEWFB-DYESRHJHSA-N 2 1 350.510 3.074 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000481315882 501741536 /nfs/dbraw/zinc/74/15/36/501741536.db2.gz ZDYYCRPQQFEWFB-DYESRHJHSA-N 2 1 350.510 3.074 20 0 FGADMP C[NH+](C)CC1(C(=O)Nc2ccc(CC[NH+]3CCOCC3)cc2)CCCCC1 ZINC000460201227 501757223 /nfs/dbraw/zinc/75/72/23/501757223.db2.gz JFTHXNRFEVBMLD-UHFFFAOYSA-N 2 1 373.541 3.012 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000467353858 501775960 /nfs/dbraw/zinc/77/59/60/501775960.db2.gz BDOGAUCHSSZOBQ-OLKYXYMISA-N 2 1 364.533 3.399 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467374558 501779643 /nfs/dbraw/zinc/77/96/43/501779643.db2.gz YFJPKFQXQBMIGR-ZQGJOIPISA-N 2 1 372.553 3.054 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000467374558 501779648 /nfs/dbraw/zinc/77/96/48/501779648.db2.gz YFJPKFQXQBMIGR-ZQGJOIPISA-N 2 1 372.553 3.054 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000474308253 501784573 /nfs/dbraw/zinc/78/45/73/501784573.db2.gz SNBFXQVQVZVYSR-MRXNPFEDSA-N 2 1 374.488 3.360 20 0 FGADMP CC1CC[NH+](CCNC(=O)N(C)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000470736899 501787411 /nfs/dbraw/zinc/78/74/11/501787411.db2.gz LBTFMGWOLOXBMB-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000470746722 501789514 /nfs/dbraw/zinc/78/95/14/501789514.db2.gz OXMLRBHRQNJZOQ-QUCCMNQESA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000470746722 501789521 /nfs/dbraw/zinc/78/95/21/501789521.db2.gz OXMLRBHRQNJZOQ-QUCCMNQESA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000470746722 501789528 /nfs/dbraw/zinc/78/95/28/501789528.db2.gz OXMLRBHRQNJZOQ-QUCCMNQESA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000460359939 501804023 /nfs/dbraw/zinc/80/40/23/501804023.db2.gz PKGNKWGRZQTJEO-RQZVMEALSA-N 2 1 371.569 3.428 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000460359939 501804028 /nfs/dbraw/zinc/80/40/28/501804028.db2.gz PKGNKWGRZQTJEO-RQZVMEALSA-N 2 1 371.569 3.428 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c2C)cc1 ZINC000463736560 501806412 /nfs/dbraw/zinc/80/64/12/501806412.db2.gz WKAOHZYGOZJVMA-PMACEKPBSA-N 2 1 368.525 3.273 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2C)cc1 ZINC000463736560 501806416 /nfs/dbraw/zinc/80/64/16/501806416.db2.gz WKAOHZYGOZJVMA-PMACEKPBSA-N 2 1 368.525 3.273 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2C)cc1 ZINC000463736563 501806605 /nfs/dbraw/zinc/80/66/05/501806605.db2.gz WKAOHZYGOZJVMA-WOJBJXKFSA-N 2 1 368.525 3.273 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2C)cc1 ZINC000463736563 501806608 /nfs/dbraw/zinc/80/66/08/501806608.db2.gz WKAOHZYGOZJVMA-WOJBJXKFSA-N 2 1 368.525 3.273 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375077 501807974 /nfs/dbraw/zinc/80/79/74/501807974.db2.gz KCOSFPBKDFUGQG-LEWJYISDSA-N 2 1 369.484 3.382 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1)c1ccccc1 ZINC000460375077 501807979 /nfs/dbraw/zinc/80/79/79/501807979.db2.gz KCOSFPBKDFUGQG-LEWJYISDSA-N 2 1 369.484 3.382 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000460383398 501810358 /nfs/dbraw/zinc/81/03/58/501810358.db2.gz IAKYWFNHLFLCCQ-SVFBPWRDSA-N 2 1 368.562 3.131 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428179 501818876 /nfs/dbraw/zinc/81/88/76/501818876.db2.gz BGQFDLQJGQCFMD-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428179 501818882 /nfs/dbraw/zinc/81/88/82/501818882.db2.gz BGQFDLQJGQCFMD-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)c(Cl)c2)C1 ZINC000485428179 501818887 /nfs/dbraw/zinc/81/88/87/501818887.db2.gz BGQFDLQJGQCFMD-OAHLLOKOSA-N 2 1 367.921 3.341 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000460477910 501834292 /nfs/dbraw/zinc/83/42/92/501834292.db2.gz CWVKSFKQMNMSRQ-CVEARBPZSA-N 2 1 357.502 3.270 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000460477910 501834296 /nfs/dbraw/zinc/83/42/96/501834296.db2.gz CWVKSFKQMNMSRQ-CVEARBPZSA-N 2 1 357.502 3.270 20 0 FGADMP C[C@@H](C(=O)N1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485489547 501835111 /nfs/dbraw/zinc/83/51/11/501835111.db2.gz JNANQVONRKTMTE-FQEVSTJZSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC2(CCC2)C1 ZINC000470867809 501835306 /nfs/dbraw/zinc/83/53/06/501835306.db2.gz GKAHFQCQAPGOKE-IBGZPJMESA-N 2 1 369.553 3.422 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000460484402 501835346 /nfs/dbraw/zinc/83/53/46/501835346.db2.gz XDJVCJDKXICNTF-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000460484402 501835350 /nfs/dbraw/zinc/83/53/50/501835350.db2.gz XDJVCJDKXICNTF-DYXWJJEUSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485497691 501838587 /nfs/dbraw/zinc/83/85/87/501838587.db2.gz VWYHOGZPXSSTKF-LJQANCHMSA-N 2 1 357.542 3.135 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470885623 501842500 /nfs/dbraw/zinc/84/25/00/501842500.db2.gz FAASFIBDSMGCMR-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470885623 501842502 /nfs/dbraw/zinc/84/25/02/501842502.db2.gz FAASFIBDSMGCMR-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470885623 501842505 /nfs/dbraw/zinc/84/25/05/501842505.db2.gz FAASFIBDSMGCMR-LEWJYISDSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000470898175 501845979 /nfs/dbraw/zinc/84/59/79/501845979.db2.gz QRMAZNVWRBITJX-FQEVSTJZSA-N 2 1 364.578 3.016 20 0 FGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000474467832 501846129 /nfs/dbraw/zinc/84/61/29/501846129.db2.gz LIUIFKVEQVUUMJ-FDFHNCONSA-N 2 1 359.558 3.160 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000460655230 501887022 /nfs/dbraw/zinc/88/70/22/501887022.db2.gz KZKQFCMXZHGGRN-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000460655230 501887025 /nfs/dbraw/zinc/88/70/25/501887025.db2.gz KZKQFCMXZHGGRN-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000460655230 501887028 /nfs/dbraw/zinc/88/70/28/501887028.db2.gz KZKQFCMXZHGGRN-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CCN(c2cc(C)[nH+]c3c(OC)cccc23)C1 ZINC000481987132 501936532 /nfs/dbraw/zinc/93/65/32/501936532.db2.gz AOWPDEMDQATACC-KRWDZBQOSA-N 2 1 357.498 3.489 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005147 501943921 /nfs/dbraw/zinc/94/39/21/501943921.db2.gz JYERDXFAHBRYAY-AEFFLSMTSA-N 2 1 367.331 3.218 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC(C)(C)c3ccc(Br)cc32)C1 ZINC000482005147 501943927 /nfs/dbraw/zinc/94/39/27/501943927.db2.gz JYERDXFAHBRYAY-AEFFLSMTSA-N 2 1 367.331 3.218 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000474772037 501947732 /nfs/dbraw/zinc/94/77/32/501947732.db2.gz XHKBFPPENFUVSK-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000474772037 501947735 /nfs/dbraw/zinc/94/77/35/501947735.db2.gz XHKBFPPENFUVSK-FQEVSTJZSA-N 2 1 361.505 3.028 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000468116503 501962241 /nfs/dbraw/zinc/96/22/41/501962241.db2.gz FWRYYLVHHPJQKZ-IEBWSBKVSA-N 2 1 363.571 3.013 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)c1ccccc1 ZINC000464352761 501963929 /nfs/dbraw/zinc/96/39/29/501963929.db2.gz CYOXGCKCMLTPAC-NHCUHLMSSA-N 2 1 357.542 3.450 20 0 FGADMP CC(C)[C@@H]1OCCC[C@H]1Nc1nc(N2CCC([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000485863284 501965400 /nfs/dbraw/zinc/96/54/00/501965400.db2.gz NJVUOQLBLQCTRY-QUCCMNQESA-N 2 1 373.545 3.157 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)NCc1ccccc1 ZINC000482113103 501978721 /nfs/dbraw/zinc/97/87/21/501978721.db2.gz XISLZEMQYICMIK-KNQAVFIVSA-N 2 1 365.521 3.193 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000482115045 501978740 /nfs/dbraw/zinc/97/87/40/501978740.db2.gz OZLDLTXMDSRWNF-DYESRHJHSA-N 2 1 361.493 3.364 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000482135032 501985275 /nfs/dbraw/zinc/98/52/75/501985275.db2.gz HTMLVWUKIFDSHG-XKGZKEIXSA-N 2 1 363.521 3.321 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)Nc1ccc(F)c(F)c1 ZINC000482135361 501985761 /nfs/dbraw/zinc/98/57/61/501985761.db2.gz DPVWMUJMSWKTEO-KDOFPFPSSA-N 2 1 353.457 3.394 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000482147948 501989782 /nfs/dbraw/zinc/98/97/82/501989782.db2.gz SBFVFLSRBDHMDU-WMLDXEAASA-N 2 1 353.457 3.394 20 0 FGADMP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000461036891 501995530 /nfs/dbraw/zinc/99/55/30/501995530.db2.gz GJNBZRYJVCKBLH-SJLPKXTDSA-N 2 1 360.546 3.338 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000461036891 501995537 /nfs/dbraw/zinc/99/55/37/501995537.db2.gz GJNBZRYJVCKBLH-SJLPKXTDSA-N 2 1 360.546 3.338 20 0 FGADMP CC1CC[NH+](CC(=O)N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CC1 ZINC000474941706 501999470 /nfs/dbraw/zinc/99/94/70/501999470.db2.gz CANBKEBLUCXSGD-HSZRJFAPSA-N 2 1 369.553 3.233 20 0 FGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1)C(C)C ZINC000474970649 502007680 /nfs/dbraw/zinc/00/76/80/502007680.db2.gz IEIVAYSBFMDMDS-FQEVSTJZSA-N 2 1 363.521 3.415 20 0 FGADMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1)C(C)C ZINC000474970649 502007685 /nfs/dbraw/zinc/00/76/85/502007685.db2.gz IEIVAYSBFMDMDS-FQEVSTJZSA-N 2 1 363.521 3.415 20 0 FGADMP Cc1ccccc1[C@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037317 502029760 /nfs/dbraw/zinc/02/97/60/502029760.db2.gz CSHLLXHTDMRUNB-RBBKRZOGSA-N 2 1 365.521 3.203 20 0 FGADMP C[C@@H](CCNC(=O)C[N@H+](C)Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000471466826 502036303 /nfs/dbraw/zinc/03/63/03/502036303.db2.gz YGLVNVADHFROBQ-IBGZPJMESA-N 2 1 353.510 3.145 20 0 FGADMP C[C@@H](CCNC(=O)C[N@@H+](C)Cc1ccccc1)[NH+](C)Cc1ccccc1 ZINC000471466826 502036329 /nfs/dbraw/zinc/03/63/29/502036329.db2.gz YGLVNVADHFROBQ-IBGZPJMESA-N 2 1 353.510 3.145 20 0 FGADMP C[C@@H](CCNC(=O)C[NH+](C)Cc1ccccc1)[N@H+](C)Cc1ccccc1 ZINC000471466826 502036331 /nfs/dbraw/zinc/03/63/31/502036331.db2.gz YGLVNVADHFROBQ-IBGZPJMESA-N 2 1 353.510 3.145 20 0 FGADMP C[C@@H](CCNC(=O)C[NH+](C)Cc1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000471466826 502036336 /nfs/dbraw/zinc/03/63/36/502036336.db2.gz YGLVNVADHFROBQ-IBGZPJMESA-N 2 1 353.510 3.145 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000461259978 502054105 /nfs/dbraw/zinc/05/41/05/502054105.db2.gz GBWRDNQSILZXBF-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000461259978 502054107 /nfs/dbraw/zinc/05/41/07/502054107.db2.gz GBWRDNQSILZXBF-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000461259978 502054109 /nfs/dbraw/zinc/05/41/09/502054109.db2.gz GBWRDNQSILZXBF-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000482475816 502080758 /nfs/dbraw/zinc/08/07/58/502080758.db2.gz DCZREIYXLMUTLH-IBGZPJMESA-N 2 1 371.550 3.450 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000478791409 502086007 /nfs/dbraw/zinc/08/60/07/502086007.db2.gz DRUHYNZEUUHBLS-QUCCMNQESA-N 2 1 372.557 3.243 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000478829282 502099267 /nfs/dbraw/zinc/09/92/67/502099267.db2.gz JLPOQQXRUJOWHL-GHTZIAJQSA-N 2 1 372.557 3.295 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000464830462 502110015 /nfs/dbraw/zinc/11/00/15/502110015.db2.gz OIMWJTIUQKAZHJ-VQTJNVASSA-N 2 1 366.594 3.020 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](C3CC3)O[C@@H](C)C2)CC1 ZINC000475269893 502111482 /nfs/dbraw/zinc/11/14/82/502111482.db2.gz NVTQSTUVJKZUGK-AVRDEDQJSA-N 2 1 357.542 3.218 20 0 FGADMP COCCOc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475360949 502147819 /nfs/dbraw/zinc/14/78/19/502147819.db2.gz LJJQVPGNAGKAJF-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP COCCOc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475360949 502147821 /nfs/dbraw/zinc/14/78/21/502147821.db2.gz LJJQVPGNAGKAJF-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP COCCOc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475360949 502147824 /nfs/dbraw/zinc/14/78/24/502147824.db2.gz LJJQVPGNAGKAJF-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP COCCOc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000475360949 502147828 /nfs/dbraw/zinc/14/78/28/502147828.db2.gz LJJQVPGNAGKAJF-SZPZYZBQSA-N 2 1 366.505 3.276 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000479079573 502157155 /nfs/dbraw/zinc/15/71/55/502157155.db2.gz MHXBMZDSFSIJBN-NRFANRHFSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000482740267 502167472 /nfs/dbraw/zinc/16/74/72/502167472.db2.gz IDHDCJZUXIOPQE-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000482740270 502167677 /nfs/dbraw/zinc/16/76/77/502167677.db2.gz IDHDCJZUXIOPQE-RBUKOAKNSA-N 2 1 352.567 3.062 20 0 FGADMP Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000468749170 502169907 /nfs/dbraw/zinc/16/99/07/502169907.db2.gz JCBYZIWAFWUEJP-AWEZNQCLSA-N 2 1 365.424 3.038 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc2ccccc2c1 ZINC000482887104 502206975 /nfs/dbraw/zinc/20/69/75/502206975.db2.gz PDYULCWPPHTUDZ-QGZVFWFLSA-N 2 1 353.510 3.433 20 0 FGADMP CC(C)Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000482894817 502209623 /nfs/dbraw/zinc/20/96/23/502209623.db2.gz XKQNVYKXEXNNCS-SFHVURJKSA-N 2 1 359.558 3.478 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000472051713 502211498 /nfs/dbraw/zinc/21/14/98/502211498.db2.gz IJKSCEKNBNLTMR-VQTJNVASSA-N 2 1 360.546 3.195 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2c(s1)CCCC2 ZINC000482899844 502211719 /nfs/dbraw/zinc/21/17/19/502211719.db2.gz LGMIFQXINLIOKB-HNNXBMFYSA-N 2 1 363.571 3.220 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000482921700 502217050 /nfs/dbraw/zinc/21/70/50/502217050.db2.gz UMAKEDWEBNGOBX-FQEVSTJZSA-N 2 1 361.505 3.342 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)CC1 ZINC000482921700 502217055 /nfs/dbraw/zinc/21/70/55/502217055.db2.gz UMAKEDWEBNGOBX-FQEVSTJZSA-N 2 1 361.505 3.342 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672253 502226951 /nfs/dbraw/zinc/22/69/51/502226951.db2.gz CBLRVOOXMKNPCK-RXVVDRJESA-N 2 1 367.468 3.280 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000486672253 502226953 /nfs/dbraw/zinc/22/69/53/502226953.db2.gz CBLRVOOXMKNPCK-RXVVDRJESA-N 2 1 367.468 3.280 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000486704442 502237575 /nfs/dbraw/zinc/23/75/75/502237575.db2.gz BRVRKWZWLHMTEI-OAQYLSRUSA-N 2 1 357.542 3.279 20 0 FGADMP CCCN(CC[NH+](CC)CC)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000461946411 502247773 /nfs/dbraw/zinc/24/77/73/502247773.db2.gz GSGLERPFHKTQBF-PMACEKPBSA-N 2 1 360.546 3.195 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000479412566 502251845 /nfs/dbraw/zinc/25/18/45/502251845.db2.gz JAPJIKMFIMEGEC-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC(C)OCC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000472163678 502254390 /nfs/dbraw/zinc/25/43/90/502254390.db2.gz ULMUYWFDUCMEKR-VXKWHMMOSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000472163678 502254393 /nfs/dbraw/zinc/25/43/93/502254393.db2.gz ULMUYWFDUCMEKR-VXKWHMMOSA-N 2 1 360.542 3.151 20 0 FGADMP CC(C)OCC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000472163678 502254400 /nfs/dbraw/zinc/25/44/00/502254400.db2.gz ULMUYWFDUCMEKR-VXKWHMMOSA-N 2 1 360.542 3.151 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000461974993 502260176 /nfs/dbraw/zinc/26/01/76/502260176.db2.gz RILVYHNUXOITFL-IYBDPMFKSA-N 2 1 351.922 3.103 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000483147812 502291026 /nfs/dbraw/zinc/29/10/26/502291026.db2.gz SKFXCADURBXPJE-RXVVDRJESA-N 2 1 356.514 3.099 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC(C)(C)CC[NH+]2CCCCCC2)C1 ZINC000483181035 502304576 /nfs/dbraw/zinc/30/45/76/502304576.db2.gz RNBFGYNDRGRRMR-IBGZPJMESA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)Cc1ccccc1 ZINC000483196439 502310857 /nfs/dbraw/zinc/31/08/57/502310857.db2.gz JMMPJOUBKPITDP-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000483196439 502310863 /nfs/dbraw/zinc/31/08/63/502310863.db2.gz JMMPJOUBKPITDP-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000483196439 502310868 /nfs/dbraw/zinc/31/08/68/502310868.db2.gz JMMPJOUBKPITDP-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[N@H+](Cc2ccccc2)C1 ZINC000462115145 502312015 /nfs/dbraw/zinc/31/20/15/502312015.db2.gz DASLLTQQZXSXHE-LEWJYISDSA-N 2 1 356.897 3.034 20 0 FGADMP O[C@@]1(C[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000462115145 502312022 /nfs/dbraw/zinc/31/20/22/502312022.db2.gz DASLLTQQZXSXHE-LEWJYISDSA-N 2 1 356.897 3.034 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000487064045 502345486 /nfs/dbraw/zinc/34/54/86/502345486.db2.gz BMOXYOBKEBWWSO-JOCHJYFZSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1(c2ccccc2)CCCC1 ZINC000476011712 502357637 /nfs/dbraw/zinc/35/76/37/502357637.db2.gz NWUJGZUZGWWNSU-MOPGFXCFSA-N 2 1 357.542 3.064 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[NH+](Cc3ccccc3)CC2)C1 ZINC000465744686 502367029 /nfs/dbraw/zinc/36/70/29/502367029.db2.gz FFJHYJVOCXGBPC-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000465744686 502367036 /nfs/dbraw/zinc/36/70/36/502367036.db2.gz FFJHYJVOCXGBPC-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)C1 ZINC000465744686 502367041 /nfs/dbraw/zinc/36/70/41/502367041.db2.gz FFJHYJVOCXGBPC-FPOVZHCZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000465861124 502406198 /nfs/dbraw/zinc/40/61/98/502406198.db2.gz YLUWIECWVCSKCK-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000465861124 502406203 /nfs/dbraw/zinc/40/62/03/502406203.db2.gz YLUWIECWVCSKCK-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000465861124 502406205 /nfs/dbraw/zinc/40/62/05/502406205.db2.gz YLUWIECWVCSKCK-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)N[C@@H](c1cccs1)c1ccccc1 ZINC000462411148 502427007 /nfs/dbraw/zinc/42/70/07/502427007.db2.gz WHAJSKPQTIGCFB-NHCUHLMSSA-N 2 1 369.534 3.029 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000487408317 502436907 /nfs/dbraw/zinc/43/69/07/502436907.db2.gz BUBHHSLKUHVXBH-ZCNNSNEGSA-N 2 1 361.505 3.169 20 0 FGADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000487408317 502436914 /nfs/dbraw/zinc/43/69/14/502436914.db2.gz BUBHHSLKUHVXBH-ZCNNSNEGSA-N 2 1 361.505 3.169 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)cc1 ZINC000487412189 502437455 /nfs/dbraw/zinc/43/74/55/502437455.db2.gz QVLQWBUCFUZDMC-JXFKEZNVSA-N 2 1 369.513 3.223 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)cc1 ZINC000487412189 502437457 /nfs/dbraw/zinc/43/74/57/502437457.db2.gz QVLQWBUCFUZDMC-JXFKEZNVSA-N 2 1 369.513 3.223 20 0 FGADMP CC1CC[NH+](CC(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000483600119 502440335 /nfs/dbraw/zinc/44/03/35/502440335.db2.gz RIGDXDCBYZXZKF-VXKWHMMOSA-N 2 1 369.553 3.231 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000466003826 502450411 /nfs/dbraw/zinc/45/04/11/502450411.db2.gz CLVPIZBPNWDLBQ-UHFFFAOYSA-N 2 1 363.550 3.125 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@@H]1C ZINC000483690445 502464205 /nfs/dbraw/zinc/46/42/05/502464205.db2.gz GQHAJZIVTXAGBQ-ZRNYENFQSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1C ZINC000588711988 506316630 /nfs/dbraw/zinc/31/66/30/506316630.db2.gz WOGUBZMVSSVAQV-QZTJIDSGSA-N 2 1 373.541 3.063 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794645 502495375 /nfs/dbraw/zinc/49/53/75/502495375.db2.gz QIJLIVUNPLHZKK-NSHGMRRFSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794645 502495379 /nfs/dbraw/zinc/49/53/79/502495379.db2.gz QIJLIVUNPLHZKK-NSHGMRRFSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483794645 502495383 /nfs/dbraw/zinc/49/53/83/502495383.db2.gz QIJLIVUNPLHZKK-NSHGMRRFSA-N 2 1 360.546 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1 ZINC000483821517 502501798 /nfs/dbraw/zinc/50/17/98/502501798.db2.gz NBMLJENUQFFESX-SZXPJGKVSA-N 2 1 374.447 3.055 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)c1 ZINC000466295821 502530284 /nfs/dbraw/zinc/53/02/84/502530284.db2.gz HHKZHKTYTYRSRG-LJQANCHMSA-N 2 1 374.529 3.013 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000469763007 502535658 /nfs/dbraw/zinc/53/56/58/502535658.db2.gz FUPHNHLTRGZEOG-SIKLNZKXSA-N 2 1 370.541 3.158 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncn2Cc2ccccc2)[C@@H](C)C1 ZINC000469763007 502535664 /nfs/dbraw/zinc/53/56/64/502535664.db2.gz FUPHNHLTRGZEOG-SIKLNZKXSA-N 2 1 370.541 3.158 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000462700301 502538974 /nfs/dbraw/zinc/53/89/74/502538974.db2.gz VFHRSHLYHIQOPA-GOSISDBHSA-N 2 1 352.526 3.456 20 0 FGADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000462700301 502538981 /nfs/dbraw/zinc/53/89/81/502538981.db2.gz VFHRSHLYHIQOPA-GOSISDBHSA-N 2 1 352.526 3.456 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000487826041 502540750 /nfs/dbraw/zinc/54/07/50/502540750.db2.gz WVVPHSPBSJQGHN-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000487826041 502540758 /nfs/dbraw/zinc/54/07/58/502540758.db2.gz WVVPHSPBSJQGHN-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000487826041 502540762 /nfs/dbraw/zinc/54/07/62/502540762.db2.gz WVVPHSPBSJQGHN-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CC(C)[C@@]1(C)C[C@@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476652602 502551271 /nfs/dbraw/zinc/55/12/71/502551271.db2.gz BUJOQIWPBARURF-IFMALSPDSA-N 2 1 363.590 3.323 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000462749071 502556598 /nfs/dbraw/zinc/55/65/98/502556598.db2.gz GWKGLJIZUAQGBK-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000462749071 502556603 /nfs/dbraw/zinc/55/66/03/502556603.db2.gz GWKGLJIZUAQGBK-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CC[NH+](C)CCN1C(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000462749071 502556607 /nfs/dbraw/zinc/55/66/07/502556607.db2.gz GWKGLJIZUAQGBK-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000462785702 502572079 /nfs/dbraw/zinc/57/20/79/502572079.db2.gz RHOKFMNLFJQCCS-VLCRHTCISA-N 2 1 358.526 3.204 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000484127979 502576614 /nfs/dbraw/zinc/57/66/14/502576614.db2.gz LUKONMADKCONMT-PKTZIBPZSA-N 2 1 366.505 3.299 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000484127979 502576617 /nfs/dbraw/zinc/57/66/17/502576617.db2.gz LUKONMADKCONMT-PKTZIBPZSA-N 2 1 366.505 3.299 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462794670 502577096 /nfs/dbraw/zinc/57/70/96/502577096.db2.gz HVEVAJWAULHQFT-NRFANRHFSA-N 2 1 357.542 3.377 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC000462794670 502577103 /nfs/dbraw/zinc/57/71/03/502577103.db2.gz HVEVAJWAULHQFT-NRFANRHFSA-N 2 1 357.542 3.377 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496761 502610295 /nfs/dbraw/zinc/61/02/95/502610295.db2.gz IKLMYSSXBKBJJI-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496761 502610298 /nfs/dbraw/zinc/61/02/98/502610298.db2.gz IKLMYSSXBKBJJI-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496761 502610301 /nfs/dbraw/zinc/61/03/01/502610301.db2.gz IKLMYSSXBKBJJI-GGAORHGYSA-N 2 1 369.553 3.376 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496762 502610446 /nfs/dbraw/zinc/61/04/46/502610446.db2.gz IKLMYSSXBKBJJI-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496762 502610452 /nfs/dbraw/zinc/61/04/52/502610452.db2.gz IKLMYSSXBKBJJI-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496762 502610457 /nfs/dbraw/zinc/61/04/57/502610457.db2.gz IKLMYSSXBKBJJI-GMAHTHKFSA-N 2 1 369.553 3.376 20 0 FGADMP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000484305578 502620617 /nfs/dbraw/zinc/62/06/17/502620617.db2.gz IKSJSLRRHIGYKX-OAQYLSRUSA-N 2 1 355.482 3.222 20 0 FGADMP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000484305578 502620625 /nfs/dbraw/zinc/62/06/25/502620625.db2.gz IKSJSLRRHIGYKX-OAQYLSRUSA-N 2 1 355.482 3.222 20 0 FGADMP FC(F)(F)Oc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000466701971 502646906 /nfs/dbraw/zinc/64/69/06/502646906.db2.gz AJBVYBHIEQQWJH-HNNXBMFYSA-N 2 1 358.404 3.382 20 0 FGADMP FC(F)(F)Oc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000466701971 502646909 /nfs/dbraw/zinc/64/69/09/502646909.db2.gz AJBVYBHIEQQWJH-HNNXBMFYSA-N 2 1 358.404 3.382 20 0 FGADMP CC(C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053142 502663450 /nfs/dbraw/zinc/66/34/50/502663450.db2.gz ZDCNRYFIRDQVPL-FGZHOGPDSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@]2(CCCOC2)C1)C[N@H+]1CCC[C@@]2(CCCOC2)C1 ZINC000477053141 502663877 /nfs/dbraw/zinc/66/38/77/502663877.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053141 502663881 /nfs/dbraw/zinc/66/38/81/502663881.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 2 1 364.574 3.408 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@]2(CCCOC2)C1)C[N@H+]1CCC[C@]2(CCCOC2)C1 ZINC000477053141 502663885 /nfs/dbraw/zinc/66/38/85/502663885.db2.gz ZDCNRYFIRDQVPL-DKUWSORSSA-N 2 1 364.574 3.408 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000463087744 502689752 /nfs/dbraw/zinc/68/97/52/502689752.db2.gz WQPUQGDNLRZVFT-GOSISDBHSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000484693544 502710560 /nfs/dbraw/zinc/71/05/60/502710560.db2.gz GNTYMIOKMFIJRZ-HCXYKTFWSA-N 2 1 364.578 3.011 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000477225711 502712231 /nfs/dbraw/zinc/71/22/31/502712231.db2.gz WJZOGPNQIKCAGF-RTBURBONSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC000477225711 502712234 /nfs/dbraw/zinc/71/22/34/502712234.db2.gz WJZOGPNQIKCAGF-RTBURBONSA-N 2 1 366.594 3.307 20 0 FGADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)C1 ZINC000477225711 502712238 /nfs/dbraw/zinc/71/22/38/502712238.db2.gz WJZOGPNQIKCAGF-RTBURBONSA-N 2 1 366.594 3.307 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCOC[C@H]1[C@@H]1CCCO1 ZINC000463210050 502720231 /nfs/dbraw/zinc/72/02/31/502720231.db2.gz AZVXCPZZNLTABX-SFTDATJTSA-N 2 1 357.498 3.395 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000477266891 502724303 /nfs/dbraw/zinc/72/43/03/502724303.db2.gz PTNBYMUIJCBGQE-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CCNC(=O)C1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000488470839 502724662 /nfs/dbraw/zinc/72/46/62/502724662.db2.gz WPJBNPQAOBERRS-PWRODBHTSA-N 2 1 369.553 3.183 20 0 FGADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(OCc2ccccc2)c1 ZINC000481022238 502730294 /nfs/dbraw/zinc/73/02/94/502730294.db2.gz JZDFOVDHQUBTRO-WIYYLYMNSA-N 2 1 354.494 3.373 20 0 FGADMP CC1CC[NH+]([C@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)c2ccccc2)CC1 ZINC000473907471 502745471 /nfs/dbraw/zinc/74/54/71/502745471.db2.gz ZEQMSARFVNVSTO-OAQYLSRUSA-N 2 1 372.557 3.195 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000477342549 502748576 /nfs/dbraw/zinc/74/85/76/502748576.db2.gz RYGZVIVVBKVFBN-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c(c2)C[NH2+]C3)[C@@H]1c1cccs1 ZINC000470366032 502752173 /nfs/dbraw/zinc/75/21/73/502752173.db2.gz BGIQVTRBJSTEMK-VQIMIIECSA-N 2 1 355.507 3.164 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481186349 502777763 /nfs/dbraw/zinc/77/77/63/502777763.db2.gz FNBLEUYSXJJHDE-SIKLNZKXSA-N 2 1 365.521 3.111 20 0 FGADMP Cc1ccccc1CNC(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481186349 502777767 /nfs/dbraw/zinc/77/77/67/502777767.db2.gz FNBLEUYSXJJHDE-SIKLNZKXSA-N 2 1 365.521 3.111 20 0 FGADMP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000474019714 502781801 /nfs/dbraw/zinc/78/18/01/502781801.db2.gz CJYKOHITESPTJE-NRFANRHFSA-N 2 1 359.558 3.281 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000495380947 502831846 /nfs/dbraw/zinc/83/18/46/502831846.db2.gz SXECTPIVBIJYMS-PKOBYXMFSA-N 2 1 363.546 3.486 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC(C)(C)C)nc2)[C@@H](C)C1 ZINC000495380947 502831847 /nfs/dbraw/zinc/83/18/47/502831847.db2.gz SXECTPIVBIJYMS-PKOBYXMFSA-N 2 1 363.546 3.486 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000505509654 502921575 /nfs/dbraw/zinc/92/15/75/502921575.db2.gz HCGUHINGRUUKEO-JOCHJYFZSA-N 2 1 357.542 3.476 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000505509654 502921580 /nfs/dbraw/zinc/92/15/80/502921580.db2.gz HCGUHINGRUUKEO-JOCHJYFZSA-N 2 1 357.542 3.476 20 0 FGADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000505509654 502921584 /nfs/dbraw/zinc/92/15/84/502921584.db2.gz HCGUHINGRUUKEO-JOCHJYFZSA-N 2 1 357.542 3.476 20 0 FGADMP CC(C)c1cc(NCc2nccn2CCc2ccccc2)nc(N(C)C)n1 ZINC000509548237 502931737 /nfs/dbraw/zinc/93/17/37/502931737.db2.gz FWOPMYVDCOXNPS-UHFFFAOYSA-N 2 1 364.497 3.139 20 0 FGADMP CCS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000513468321 502946828 /nfs/dbraw/zinc/94/68/28/502946828.db2.gz GDVDZRXXPWJMTM-UHFFFAOYSA-N 2 1 364.555 3.367 20 0 FGADMP CN(CCC[NH+]1CCN(c2ccccc2)CC1)CC[C@@H]1CCCC[N@H+]1C ZINC000509667427 502962721 /nfs/dbraw/zinc/96/27/21/502962721.db2.gz RBDCXXGDOQAAHM-NRFANRHFSA-N 2 1 358.574 3.005 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000505703226 502970284 /nfs/dbraw/zinc/97/02/84/502970284.db2.gz MMASCMYCBMGPFC-OALUTQOASA-N 2 1 362.562 3.101 20 0 FGADMP CN(C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580688 502970377 /nfs/dbraw/zinc/97/03/77/502970377.db2.gz QMVQLSKBAKXBKG-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580688 502970383 /nfs/dbraw/zinc/97/03/83/502970383.db2.gz QMVQLSKBAKXBKG-RTWAWAEBSA-N 2 1 351.494 3.070 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511261 502976582 /nfs/dbraw/zinc/97/65/82/502976582.db2.gz SINCLEKZXUHPLV-PXNSSMCTSA-N 2 1 359.514 3.283 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1)[NH+]1CCOCC1 ZINC000497511261 502976588 /nfs/dbraw/zinc/97/65/88/502976588.db2.gz SINCLEKZXUHPLV-PXNSSMCTSA-N 2 1 359.514 3.283 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000489516725 502976687 /nfs/dbraw/zinc/97/66/87/502976687.db2.gz TZAYOUXNGGUKQX-CTNGQTDRSA-N 2 1 374.573 3.126 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513647041 502989917 /nfs/dbraw/zinc/98/99/17/502989917.db2.gz FEJFPGCPJAHTBC-GOSISDBHSA-N 2 1 355.448 3.307 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000513647041 502989921 /nfs/dbraw/zinc/98/99/21/502989921.db2.gz FEJFPGCPJAHTBC-GOSISDBHSA-N 2 1 355.448 3.307 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]2CCC[C@H]21 ZINC000513666712 502994838 /nfs/dbraw/zinc/99/48/38/502994838.db2.gz NIEAGRXPRYDLCD-SLYNCCJLSA-N 2 1 350.510 3.323 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)[C@H]2CCC[C@H]21 ZINC000513666712 502994843 /nfs/dbraw/zinc/99/48/43/502994843.db2.gz NIEAGRXPRYDLCD-SLYNCCJLSA-N 2 1 350.510 3.323 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](Cc2ccccc2)CC1)C1CCCCC1 ZINC000501383631 502997156 /nfs/dbraw/zinc/99/71/56/502997156.db2.gz UDSRHPIUIKPESS-OAQYLSRUSA-N 2 1 372.557 3.024 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCOc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513673506 502997756 /nfs/dbraw/zinc/99/77/56/502997756.db2.gz SMDFSZILBPXABR-IXDOHACOSA-N 2 1 353.304 3.290 20 0 FGADMP CCCCN(CC)C(=O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489683656 503010612 /nfs/dbraw/zinc/01/06/12/503010612.db2.gz KZAMSBWZMWPQCZ-UHFFFAOYSA-N 2 1 359.558 3.479 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000501497232 503021494 /nfs/dbraw/zinc/02/14/94/503021494.db2.gz WUGFHYUZWNJVKN-VQTJNVASSA-N 2 1 372.557 3.085 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000501497232 503021496 /nfs/dbraw/zinc/02/14/96/503021496.db2.gz WUGFHYUZWNJVKN-VQTJNVASSA-N 2 1 372.557 3.085 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000497729788 503026469 /nfs/dbraw/zinc/02/64/69/503026469.db2.gz XPUBORVRNRLYHK-HXUWFJFHSA-N 2 1 373.541 3.042 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000497745108 503030530 /nfs/dbraw/zinc/03/05/30/503030530.db2.gz IDCCMZLTTXZVKN-GOSISDBHSA-N 2 1 367.603 3.119 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000501547175 503034700 /nfs/dbraw/zinc/03/47/00/503034700.db2.gz SIAZZKRZAAWTIZ-LJQANCHMSA-N 2 1 372.557 3.346 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000501595916 503046402 /nfs/dbraw/zinc/04/64/02/503046402.db2.gz PBBAHAULIQCXIJ-OALUTQOASA-N 2 1 357.542 3.228 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000514027651 503072435 /nfs/dbraw/zinc/07/24/35/503072435.db2.gz UZFXNWKOISMTMA-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000501773844 503077579 /nfs/dbraw/zinc/07/75/79/503077579.db2.gz DYCKLMGJGKLTKE-AABGKKOBSA-N 2 1 366.594 3.166 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514072528 503079612 /nfs/dbraw/zinc/07/96/12/503079612.db2.gz HAGPZHYKCSOHLP-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)Cc3ccccc3)CC2)cc1 ZINC000514072528 503079617 /nfs/dbraw/zinc/07/96/17/503079617.db2.gz HAGPZHYKCSOHLP-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)Cc3ccccc3)CC2)cc1 ZINC000514072528 503079622 /nfs/dbraw/zinc/07/96/22/503079622.db2.gz HAGPZHYKCSOHLP-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)Cc3ccccc3)CC2)cc1 ZINC000514072528 503079627 /nfs/dbraw/zinc/07/96/27/503079627.db2.gz HAGPZHYKCSOHLP-UHFFFAOYSA-N 2 1 365.521 3.161 20 0 FGADMP CCN(C)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)c1ccccc1 ZINC000489979046 503081045 /nfs/dbraw/zinc/08/10/45/503081045.db2.gz GPSGTEMBCCDBBM-PGRDOPGGSA-N 2 1 365.521 3.242 20 0 FGADMP Cc1ccc([C@H]2C[C@H](C)[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088761 503106741 /nfs/dbraw/zinc/10/67/41/503106741.db2.gz JEJDGHZCWDKZBB-ICSRJNTNSA-N 2 1 357.542 3.162 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000514222108 503117047 /nfs/dbraw/zinc/11/70/47/503117047.db2.gz MFXKUXWRZUVGEZ-DFGXFYAUSA-N 2 1 366.575 3.016 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C[C@H]1C ZINC000498239159 503139116 /nfs/dbraw/zinc/13/91/16/503139116.db2.gz LVDHJRDIWLEEFS-QYZOEREBSA-N 2 1 372.557 3.336 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)c3conc3C(C)(C)[NH3+])cc2)C1 ZINC000514679254 503165774 /nfs/dbraw/zinc/16/57/74/503165774.db2.gz KCUDRXFTYPLNEP-CQSZACIVSA-N 2 1 356.470 3.353 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000510778976 503190615 /nfs/dbraw/zinc/19/06/15/503190615.db2.gz BOTQZJJZZVZWFW-FGTMMUONSA-N 2 1 357.542 3.201 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000510778976 503190622 /nfs/dbraw/zinc/19/06/22/503190622.db2.gz BOTQZJJZZVZWFW-FGTMMUONSA-N 2 1 357.542 3.201 20 0 FGADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000510778976 503190626 /nfs/dbraw/zinc/19/06/26/503190626.db2.gz BOTQZJJZZVZWFW-FGTMMUONSA-N 2 1 357.542 3.201 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506935941 503197821 /nfs/dbraw/zinc/19/78/21/503197821.db2.gz UQJDLIIMQYCNDH-OTWHNJEPSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000514860603 503213074 /nfs/dbraw/zinc/21/30/74/503213074.db2.gz ZXOQSZQYNYCVNB-HXUWFJFHSA-N 2 1 359.558 3.381 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000498597800 503223583 /nfs/dbraw/zinc/22/35/83/503223583.db2.gz MHTNEWAOGDPQDH-LJQANCHMSA-N 2 1 359.901 3.434 20 0 FGADMP C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815591 503231596 /nfs/dbraw/zinc/23/15/96/503231596.db2.gz RLWGGGLXYKJTHH-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000490815591 503231601 /nfs/dbraw/zinc/23/16/01/503231601.db2.gz RLWGGGLXYKJTHH-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000490815591 503231605 /nfs/dbraw/zinc/23/16/05/503231605.db2.gz RLWGGGLXYKJTHH-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP C[C@H](NC(=O)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000490815591 503231608 /nfs/dbraw/zinc/23/16/08/503231608.db2.gz RLWGGGLXYKJTHH-UGKGYDQZSA-N 2 1 365.521 3.145 20 0 FGADMP c1cc(Sc2ccccn2)oc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000507210401 503251058 /nfs/dbraw/zinc/25/10/58/503251058.db2.gz KXYMMCMQSPHEJH-UHFFFAOYSA-N 2 1 373.522 3.370 20 0 FGADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000502688364 503251513 /nfs/dbraw/zinc/25/15/13/503251513.db2.gz WCXMOHDHLPJGLV-NNWRFLSQSA-N 2 1 359.558 3.160 20 0 FGADMP C[C@@H](NC(=O)N1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000491109623 503274291 /nfs/dbraw/zinc/27/42/91/503274291.db2.gz TXVUUBVFNOYSIU-FSAOVCISSA-N 2 1 372.557 3.050 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502832395 503283457 /nfs/dbraw/zinc/28/34/57/503283457.db2.gz RMYIBOUFSLBIIV-MHJFOBGBSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000502862467 503291891 /nfs/dbraw/zinc/29/18/91/503291891.db2.gz NLULWRGWUWLEBH-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000507415087 503295865 /nfs/dbraw/zinc/29/58/65/503295865.db2.gz SMSPNYCBJGGRBG-ZWKOTPCHSA-N 2 1 360.546 3.147 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000507415174 503296936 /nfs/dbraw/zinc/29/69/36/503296936.db2.gz UCYRSCISSPFLMV-RBUKOAKNSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@H](COCC(F)(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000507462430 503302354 /nfs/dbraw/zinc/30/23/54/503302354.db2.gz OYJDEHWXBGCMGD-VDHUWJSZSA-N 2 1 356.432 3.454 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)c1ccco1 ZINC000502899931 503303539 /nfs/dbraw/zinc/30/35/39/503303539.db2.gz QESVJINPIRAVCA-SZMVWBNQSA-N 2 1 362.518 3.025 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(Cc4ccccc4)n3)CC2)C1 ZINC000515352527 503322532 /nfs/dbraw/zinc/32/25/32/503322532.db2.gz GLVNJJKWWKQACM-QUCCMNQESA-N 2 1 371.550 3.452 20 0 FGADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)C[NH+](C)C ZINC000491597479 503323210 /nfs/dbraw/zinc/32/32/10/503323210.db2.gz VUBGLKIJYVGKLF-CQSZACIVSA-N 2 1 354.420 3.238 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000503064033 503339048 /nfs/dbraw/zinc/33/90/48/503339048.db2.gz PELYHAWHJJIVQM-IEBWSBKVSA-N 2 1 372.538 3.065 20 0 FGADMP C[C@@H]1CCN(CC(=O)NCCCSc2ccccc2)C[C@H]1n1ccnc1 ZINC000503064033 503339051 /nfs/dbraw/zinc/33/90/51/503339051.db2.gz PELYHAWHJJIVQM-IEBWSBKVSA-N 2 1 372.538 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCSc1ccccc1 ZINC000499511285 503421970 /nfs/dbraw/zinc/42/19/70/503421970.db2.gz ZUMGOTACBZSGIA-SFHVURJKSA-N 2 1 363.571 3.043 20 0 FGADMP Cc1nn2c(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)c(C(C)C)nc2s1 ZINC000516215263 503472837 /nfs/dbraw/zinc/47/28/37/503472837.db2.gz NVYFJIXAUWLBRZ-INIZCTEOSA-N 2 1 361.559 3.386 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000503867329 503480943 /nfs/dbraw/zinc/48/09/43/503480943.db2.gz BLFOMQRSHLATHY-PCCBWWKXSA-N 2 1 373.541 3.256 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000503882171 503483138 /nfs/dbraw/zinc/48/31/38/503483138.db2.gz FQFVICPXNSBAJS-TYPHKJRUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000503882171 503483142 /nfs/dbraw/zinc/48/31/42/503483142.db2.gz FQFVICPXNSBAJS-TYPHKJRUSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](NC(=O)CC[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000503882171 503483145 /nfs/dbraw/zinc/48/31/45/503483145.db2.gz FQFVICPXNSBAJS-TYPHKJRUSA-N 2 1 357.542 3.278 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704741 503546828 /nfs/dbraw/zinc/54/68/28/503546828.db2.gz WXRVSAHDBCPKIT-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704741 503546832 /nfs/dbraw/zinc/54/68/32/503546832.db2.gz WXRVSAHDBCPKIT-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508704741 503546837 /nfs/dbraw/zinc/54/68/37/503546837.db2.gz WXRVSAHDBCPKIT-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508704741 503546841 /nfs/dbraw/zinc/54/68/41/503546841.db2.gz WXRVSAHDBCPKIT-UGKGYDQZSA-N 2 1 365.521 3.206 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N2CCC[C@H]([NH+](C)C)C2)C[N@H+]1Cc1ccccc1 ZINC000512435492 503550261 /nfs/dbraw/zinc/55/02/61/503550261.db2.gz JDIYFCBDRDINRS-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(Cn3ccnc3)cc2)C1 ZINC000516622253 503552817 /nfs/dbraw/zinc/55/28/17/503552817.db2.gz DPFBBHNLFPZSSS-PGRDOPGGSA-N 2 1 374.488 3.497 20 0 FGADMP O=C(NCC1([NH+]2CCCCC2)CCCCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000504316333 503554868 /nfs/dbraw/zinc/55/48/68/503554868.db2.gz HBDCGFOAPTXOAG-MOPGFXCFSA-N 2 1 362.562 3.101 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)C ZINC000508895908 503592315 /nfs/dbraw/zinc/59/23/15/503592315.db2.gz MAZKXRWLLDXFJE-GNBUJSLZSA-N 2 1 360.546 3.110 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000516826856 503594382 /nfs/dbraw/zinc/59/43/82/503594382.db2.gz RSPSLLYHFVFOFT-GHTZIAJQSA-N 2 1 369.509 3.250 20 0 FGADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000516826856 503594387 /nfs/dbraw/zinc/59/43/87/503594387.db2.gz RSPSLLYHFVFOFT-GHTZIAJQSA-N 2 1 369.509 3.250 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625912 503598026 /nfs/dbraw/zinc/59/80/26/503598026.db2.gz QWRFTLFFIBWKGQ-CBPXPLCBSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625912 503598032 /nfs/dbraw/zinc/59/80/32/503598032.db2.gz QWRFTLFFIBWKGQ-CBPXPLCBSA-N 2 1 373.610 3.314 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000512625912 503598039 /nfs/dbraw/zinc/59/80/39/503598039.db2.gz QWRFTLFFIBWKGQ-CBPXPLCBSA-N 2 1 373.610 3.314 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)[NH+](C)C ZINC000508923803 503601534 /nfs/dbraw/zinc/60/15/34/503601534.db2.gz OLEOIPZWUMHFKC-QIJZPMMNSA-N 2 1 372.557 3.112 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(C)c(OC)c3C)CC2)CC1 ZINC000516876320 503606069 /nfs/dbraw/zinc/60/60/69/503606069.db2.gz UJSUZODFRPYPJY-UHFFFAOYSA-N 2 1 373.541 3.447 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000500440570 503625479 /nfs/dbraw/zinc/62/54/79/503625479.db2.gz WJKLBYUXNRRGAE-RBUKOAKNSA-N 2 1 365.521 3.483 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(-c4ccncc4)c3)C2)CC1 ZINC000536710787 503691537 /nfs/dbraw/zinc/69/15/37/503691537.db2.gz RTPITDXJUKKWAV-HSZRJFAPSA-N 2 1 364.537 3.349 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(-n3cccn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000517255813 503694381 /nfs/dbraw/zinc/69/43/81/503694381.db2.gz XQRITVHZCBNRHW-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccc2)o1 ZINC000543282662 503710208 /nfs/dbraw/zinc/71/02/08/503710208.db2.gz GKHDFWSAZOUMHZ-LJQANCHMSA-N 2 1 369.509 3.435 20 0 FGADMP O=C([C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000543287682 503711199 /nfs/dbraw/zinc/71/11/99/503711199.db2.gz KGQJJJPIYZALFT-RTBURBONSA-N 2 1 370.541 3.190 20 0 FGADMP C[NH+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000543294150 503714290 /nfs/dbraw/zinc/71/42/90/503714290.db2.gz ZHEATFNNYVSEBW-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857413 503742485 /nfs/dbraw/zinc/74/24/85/503742485.db2.gz HWJRHARFHWNKFP-KNQAVFIVSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000536857413 503742491 /nfs/dbraw/zinc/74/24/91/503742491.db2.gz HWJRHARFHWNKFP-KNQAVFIVSA-N 2 1 365.521 3.225 20 0 FGADMP CS[C@@H](C)CCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000536908851 503758310 /nfs/dbraw/zinc/75/83/10/503758310.db2.gz HRSGXQBGGBIUGP-KRWDZBQOSA-N 2 1 369.619 3.173 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000543418279 503761766 /nfs/dbraw/zinc/76/17/66/503761766.db2.gz RZHCQVPREJWVGZ-BBRMVZONSA-N 2 1 355.320 3.320 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)C1 ZINC000546574452 503793706 /nfs/dbraw/zinc/79/37/06/503793706.db2.gz GYBIDHSGNWASKB-QHCPKHFHSA-N 2 1 352.522 3.277 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+]C(CCc2ccccc2)CCc2ccccc2)C1 ZINC000546574452 503793711 /nfs/dbraw/zinc/79/37/11/503793711.db2.gz GYBIDHSGNWASKB-QHCPKHFHSA-N 2 1 352.522 3.277 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CC[NH+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093263 503800485 /nfs/dbraw/zinc/80/04/85/503800485.db2.gz FPRCQRBTQFYCSE-FAKFISEUSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093263 503800491 /nfs/dbraw/zinc/80/04/91/503800491.db2.gz FPRCQRBTQFYCSE-FAKFISEUSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093263 503800497 /nfs/dbraw/zinc/80/04/97/503800497.db2.gz FPRCQRBTQFYCSE-FAKFISEUSA-N 3 1 373.585 3.126 20 0 FGADMP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093263 503800503 /nfs/dbraw/zinc/80/05/03/503800503.db2.gz FPRCQRBTQFYCSE-FAKFISEUSA-N 2 1 373.585 3.126 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCN(C)C[C@@H]3C)cc2)C[C@H]1C ZINC000537093263 503800508 /nfs/dbraw/zinc/80/05/08/503800508.db2.gz FPRCQRBTQFYCSE-FAKFISEUSA-N 2 1 373.585 3.126 20 0 FGADMP CCSCc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000517783279 503835374 /nfs/dbraw/zinc/83/53/74/503835374.db2.gz VHULBTTVNDYSRC-UHFFFAOYSA-N 2 1 370.522 3.339 20 0 FGADMP Clc1ccc(N2CCOCC2)c(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000546686153 503839714 /nfs/dbraw/zinc/83/97/14/503839714.db2.gz ORWUYPLYULPGRQ-UHFFFAOYSA-N 2 1 363.933 3.141 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000543715226 503864225 /nfs/dbraw/zinc/86/42/25/503864225.db2.gz LKFYUNSDFWDUDI-RBUKOAKNSA-N 2 1 358.530 3.021 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C[C@@H](C)C1 ZINC000533497836 503865158 /nfs/dbraw/zinc/86/51/58/503865158.db2.gz CEESVSASCRSRFO-KJNZLNQQSA-N 2 1 357.542 3.298 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)CC(C)C ZINC000517913528 503865689 /nfs/dbraw/zinc/86/56/89/503865689.db2.gz KMRUTNPTJUXPNP-OALUTQOASA-N 2 1 354.583 3.163 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000546790041 503879918 /nfs/dbraw/zinc/87/99/18/503879918.db2.gz YXPDPZQSQVEQGJ-KRWDZBQOSA-N 2 1 366.509 3.452 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000518011105 503888367 /nfs/dbraw/zinc/88/83/67/503888367.db2.gz DOOCZCUSAHKDQU-TZIWHRDSSA-N 2 1 372.557 3.386 20 0 FGADMP FC(F)n1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000530241805 503890596 /nfs/dbraw/zinc/89/05/96/503890596.db2.gz RPFDLXKCMIAZEB-HNNXBMFYSA-N 2 1 364.440 3.022 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000527691337 503897359 /nfs/dbraw/zinc/89/73/59/503897359.db2.gz JMXNHCZBJQKSIT-LMNJBCLMSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000527691337 503897362 /nfs/dbraw/zinc/89/73/62/503897362.db2.gz JMXNHCZBJQKSIT-LMNJBCLMSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000527691337 503897364 /nfs/dbraw/zinc/89/73/64/503897364.db2.gz JMXNHCZBJQKSIT-LMNJBCLMSA-N 2 1 370.541 3.138 20 0 FGADMP CC(=O)Nc1ccc(CN2CCC([NH2+]Cc3ccncc3Cl)CC2)cc1 ZINC000527716296 503910363 /nfs/dbraw/zinc/91/03/63/503910363.db2.gz OKIXAADDXMKIMF-UHFFFAOYSA-N 2 1 372.900 3.448 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000543880444 503926696 /nfs/dbraw/zinc/92/66/96/503926696.db2.gz NYSHKTNVJDOWEV-UHFFFAOYSA-N 2 1 366.594 3.404 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC000543910044 503938845 /nfs/dbraw/zinc/93/88/45/503938845.db2.gz JIKVFFYJJBFWFW-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000518598013 504024976 /nfs/dbraw/zinc/02/49/76/504024976.db2.gz ZPMMMXIXWBOOKV-ZVDOUQERSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000518598013 504024979 /nfs/dbraw/zinc/02/49/79/504024979.db2.gz ZPMMMXIXWBOOKV-ZVDOUQERSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000518598013 504024982 /nfs/dbraw/zinc/02/49/82/504024982.db2.gz ZPMMMXIXWBOOKV-ZVDOUQERSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000530627331 504032369 /nfs/dbraw/zinc/03/23/69/504032369.db2.gz SPOKGOJYXUBEKS-QGZVFWFLSA-N 2 1 355.320 3.382 20 0 FGADMP CC(C)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(=O)N1CCCC1 ZINC000528017988 504041628 /nfs/dbraw/zinc/04/16/28/504041628.db2.gz ZHDYIPQSSNQWHK-MZADTFQBSA-N 2 1 369.553 3.420 20 0 FGADMP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198503 504045050 /nfs/dbraw/zinc/04/50/50/504045050.db2.gz JOZPKIIXDGJUKK-SFHVURJKSA-N 2 1 360.546 3.340 20 0 FGADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198503 504045057 /nfs/dbraw/zinc/04/50/57/504045057.db2.gz JOZPKIIXDGJUKK-SFHVURJKSA-N 2 1 360.546 3.340 20 0 FGADMP CC1=CC[N@H+](CCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000547283907 504046610 /nfs/dbraw/zinc/04/66/10/504046610.db2.gz VXQMCEVONWYWEI-UHFFFAOYSA-N 2 1 374.554 3.009 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)Nc2ccccc2C[NH+]2CCSCC2)CC1 ZINC000547283907 504046615 /nfs/dbraw/zinc/04/66/15/504046615.db2.gz VXQMCEVONWYWEI-UHFFFAOYSA-N 2 1 374.554 3.009 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544230687 504053559 /nfs/dbraw/zinc/05/35/59/504053559.db2.gz QUIHBQABPNLFNW-FUHWJXTLSA-N 2 1 360.546 3.340 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000530783531 504086121 /nfs/dbraw/zinc/08/61/21/504086121.db2.gz WDXIWBCITOWDQE-YWZLYKJASA-N 2 1 367.497 3.120 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000530783531 504086123 /nfs/dbraw/zinc/08/61/23/504086123.db2.gz WDXIWBCITOWDQE-YWZLYKJASA-N 2 1 367.497 3.120 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cscc3s2)CC1 ZINC000528151487 504094327 /nfs/dbraw/zinc/09/43/27/504094327.db2.gz OFBLKAMCOBPPPZ-UHFFFAOYSA-N 2 1 358.492 3.362 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351285 504101614 /nfs/dbraw/zinc/10/16/14/504101614.db2.gz XWQITUZRBBFNBU-HRCADAONSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351285 504101619 /nfs/dbraw/zinc/10/16/19/504101619.db2.gz XWQITUZRBBFNBU-HRCADAONSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)C[C@@H]1C ZINC000541351285 504101624 /nfs/dbraw/zinc/10/16/24/504101624.db2.gz XWQITUZRBBFNBU-HRCADAONSA-N 2 1 374.447 3.250 20 0 FGADMP C[C@H]([NH2+]CC1(O)Cc2ccccc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547503544 504128981 /nfs/dbraw/zinc/12/89/81/504128981.db2.gz UURYTKKZQXZELS-AVRDEDQJSA-N 2 1 350.506 3.017 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547508737 504131173 /nfs/dbraw/zinc/13/11/73/504131173.db2.gz IPBXTCLLZORBFH-OAGDOXAWSA-N 2 1 357.542 3.180 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266324 504138653 /nfs/dbraw/zinc/13/86/53/504138653.db2.gz JCXRCBIKDFFAFW-MJGOQNOKSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528266324 504138663 /nfs/dbraw/zinc/13/86/63/504138663.db2.gz JCXRCBIKDFFAFW-MJGOQNOKSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266324 504138670 /nfs/dbraw/zinc/13/86/70/504138670.db2.gz JCXRCBIKDFFAFW-MJGOQNOKSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528266324 504138677 /nfs/dbraw/zinc/13/86/77/504138677.db2.gz JCXRCBIKDFFAFW-MJGOQNOKSA-N 2 1 363.933 3.151 20 0 FGADMP CC(C)[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCC1 ZINC000519178076 504158176 /nfs/dbraw/zinc/15/81/76/504158176.db2.gz ZBJPBWGIZONVOO-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003661 504158688 /nfs/dbraw/zinc/15/86/88/504158688.db2.gz HDIXIPWLZVAMSI-UXHICEINSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000531003661 504158692 /nfs/dbraw/zinc/15/86/92/504158692.db2.gz HDIXIPWLZVAMSI-UXHICEINSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@H](CNC(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000531003661 504158698 /nfs/dbraw/zinc/15/86/98/504158698.db2.gz HDIXIPWLZVAMSI-UXHICEINSA-N 2 1 364.578 3.061 20 0 FGADMP C[NH+](C)CCC1CC[NH+]([C@H]2CCN(c3ccc(Cl)cc3F)C2=O)CC1 ZINC000528353761 504184215 /nfs/dbraw/zinc/18/42/15/504184215.db2.gz NANHCCDQEJWHGP-SFHVURJKSA-N 2 1 367.896 3.248 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)CC[NH+](C)C1CCCCC1 ZINC000547737331 504205397 /nfs/dbraw/zinc/20/53/97/504205397.db2.gz KVWXMXHCQHWVRT-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547737331 504205402 /nfs/dbraw/zinc/20/54/02/504205402.db2.gz KVWXMXHCQHWVRT-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547737331 504205405 /nfs/dbraw/zinc/20/54/05/504205405.db2.gz KVWXMXHCQHWVRT-GHTZIAJQSA-N 2 1 357.542 3.278 20 0 FGADMP CCN(CCOC)c1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481163 504230478 /nfs/dbraw/zinc/23/04/78/504230478.db2.gz DIOGDXRUSLZSAG-RXVVDRJESA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)n1 ZINC000519481163 504230481 /nfs/dbraw/zinc/23/04/81/504230481.db2.gz DIOGDXRUSLZSAG-RXVVDRJESA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000519481163 504230484 /nfs/dbraw/zinc/23/04/84/504230484.db2.gz DIOGDXRUSLZSAG-RXVVDRJESA-N 2 1 372.557 3.003 20 0 FGADMP CCN(CCOC)c1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000519481163 504230487 /nfs/dbraw/zinc/23/04/87/504230487.db2.gz DIOGDXRUSLZSAG-RXVVDRJESA-N 2 1 372.557 3.003 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C12CCC2 ZINC000538394025 504232962 /nfs/dbraw/zinc/23/29/62/504232962.db2.gz LOQXKHBYAJIPQQ-RTBURBONSA-N 2 1 350.547 3.347 20 0 FGADMP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789139 504240762 /nfs/dbraw/zinc/24/07/62/504240762.db2.gz FIOJAIWATFBQGV-BMGDILEWSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789139 504240768 /nfs/dbraw/zinc/24/07/68/504240768.db2.gz FIOJAIWATFBQGV-BMGDILEWSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789139 504240772 /nfs/dbraw/zinc/24/07/72/504240772.db2.gz FIOJAIWATFBQGV-BMGDILEWSA-N 2 1 366.937 3.115 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000534789139 504240778 /nfs/dbraw/zinc/24/07/78/504240778.db2.gz FIOJAIWATFBQGV-BMGDILEWSA-N 2 1 366.937 3.115 20 0 FGADMP CC[N@@H+](C)C[C@H](O)CN[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC000519539637 504246235 /nfs/dbraw/zinc/24/62/35/504246235.db2.gz CHXRJOLDUYRIHY-IEBWSBKVSA-N 2 1 369.534 3.482 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000534955346 504292584 /nfs/dbraw/zinc/29/25/84/504292584.db2.gz KYFRBGNVTUYKLX-LJQANCHMSA-N 2 1 368.481 3.010 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000534955346 504292592 /nfs/dbraw/zinc/29/25/92/504292592.db2.gz KYFRBGNVTUYKLX-LJQANCHMSA-N 2 1 368.481 3.010 20 0 FGADMP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963657 504294928 /nfs/dbraw/zinc/29/49/28/504294928.db2.gz HJBXEFYZXFJICY-OALUTQOASA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)Cn2c[nH+]c3c2CCCC3)CC1 ZINC000538680477 504324760 /nfs/dbraw/zinc/32/47/60/504324760.db2.gz BOVNFCATRYUANE-KRWDZBQOSA-N 2 1 366.509 3.104 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cccc4c[nH]nc43)CC2)CC1 ZINC000538724900 504344551 /nfs/dbraw/zinc/34/45/51/504344551.db2.gz IBYUAWASGRJSRR-UHFFFAOYSA-N 2 1 369.557 3.191 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2c[nH]nc21 ZINC000538724900 504344553 /nfs/dbraw/zinc/34/45/53/504344553.db2.gz IBYUAWASGRJSRR-UHFFFAOYSA-N 3 1 369.557 3.191 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cccc2c[nH]nc21 ZINC000538724900 504344556 /nfs/dbraw/zinc/34/45/56/504344556.db2.gz IBYUAWASGRJSRR-UHFFFAOYSA-N 3 1 369.557 3.191 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)CC1 ZINC000538725161 504345289 /nfs/dbraw/zinc/34/52/89/504345289.db2.gz AJXPANBHNRSGFM-UHFFFAOYSA-N 2 1 367.541 3.067 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155492 504351224 /nfs/dbraw/zinc/35/12/24/504351224.db2.gz UIRZATKMBFWYBH-NYVOZVTQSA-N 2 1 370.512 3.477 20 0 FGADMP O[C@@]1(C[NH2+]Cc2ccc(F)c3cccnc23)CC[N@H+](Cc2ccccc2)C1 ZINC000531581819 504353464 /nfs/dbraw/zinc/35/34/64/504353464.db2.gz ZNNITWBKXSPZDH-JOCHJYFZSA-N 2 1 365.452 3.101 20 0 FGADMP O[C@@]1(C[NH2+]Cc2ccc(F)c3cccnc23)CC[N@@H+](Cc2ccccc2)C1 ZINC000531581819 504353470 /nfs/dbraw/zinc/35/34/70/504353470.db2.gz ZNNITWBKXSPZDH-JOCHJYFZSA-N 2 1 365.452 3.101 20 0 FGADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678235 504389573 /nfs/dbraw/zinc/38/95/73/504389573.db2.gz QRUIXNVAUHMIMR-LPHOPBHVSA-N 2 1 361.530 3.397 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000531683194 504391972 /nfs/dbraw/zinc/39/19/72/504391972.db2.gz WANKWGBWJUCROO-HXUWFJFHSA-N 2 1 359.558 3.260 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000545204702 504394445 /nfs/dbraw/zinc/39/44/45/504394445.db2.gz DQWCMVONBHMIGE-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000545204702 504394451 /nfs/dbraw/zinc/39/44/51/504394451.db2.gz DQWCMVONBHMIGE-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000545204702 504394456 /nfs/dbraw/zinc/39/44/56/504394456.db2.gz DQWCMVONBHMIGE-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP COc1cccc(C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc2)c1 ZINC000531701761 504396852 /nfs/dbraw/zinc/39/68/52/504396852.db2.gz PTFZOYFCJSZIAD-RBBKRZOGSA-N 2 1 354.494 3.025 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H]1c1ccccc1 ZINC000535469437 504444374 /nfs/dbraw/zinc/44/43/74/504444374.db2.gz ONCBNIXGXAZGDX-FGZHOGPDSA-N 2 1 372.472 3.422 20 0 FGADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000548442042 504447521 /nfs/dbraw/zinc/44/75/21/504447521.db2.gz XVVUEVCXIBKKOZ-HXUWFJFHSA-N 2 1 357.473 3.067 20 0 FGADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1cccc(F)c1 ZINC000548442042 504447525 /nfs/dbraw/zinc/44/75/25/504447525.db2.gz XVVUEVCXIBKKOZ-HXUWFJFHSA-N 2 1 357.473 3.067 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CC1 ZINC000520318101 504465509 /nfs/dbraw/zinc/46/55/09/504465509.db2.gz ODAKIEGHJIVMEE-IAGOWNOFSA-N 2 1 370.884 3.229 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943891 504481531 /nfs/dbraw/zinc/48/15/31/504481531.db2.gz VZTKRYXDGIPELD-FXAWDEMLSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2 ZINC000531943891 504481535 /nfs/dbraw/zinc/48/15/35/504481535.db2.gz VZTKRYXDGIPELD-FXAWDEMLSA-N 2 1 352.478 3.458 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCNc2ncc(C(F)(F)F)cc2Cl)CC[N@H+]1C ZINC000531977618 504493564 /nfs/dbraw/zinc/49/35/64/504493564.db2.gz FSHBUOPPMXWDEA-CMPLNLGQSA-N 2 1 350.816 3.238 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)NCC[C@H](C)[NH+]3CCCCC3)CC2)c1 ZINC000542450220 504494002 /nfs/dbraw/zinc/49/40/02/504494002.db2.gz CPHYBSYDXJPFTD-FQEVSTJZSA-N 2 1 372.557 3.087 20 0 FGADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1OCC(=O)N1CCCC1 ZINC000539250611 504512763 /nfs/dbraw/zinc/51/27/63/504512763.db2.gz AMBOLZJQYOLYOX-ICSRJNTNSA-N 2 1 373.541 3.213 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)CCC2 ZINC000532214248 504575719 /nfs/dbraw/zinc/57/57/19/504575719.db2.gz ARPDSLFWYQDBEE-WOJBJXKFSA-N 2 1 370.566 3.407 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520806290 504586695 /nfs/dbraw/zinc/58/66/95/504586695.db2.gz NFAKUTALODYROM-LNLFQRSKSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000520806290 504586702 /nfs/dbraw/zinc/58/67/02/504586702.db2.gz NFAKUTALODYROM-LNLFQRSKSA-N 2 1 367.896 3.119 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccnc3ccccc23)c2cccs2)CC1 ZINC000520933259 504611753 /nfs/dbraw/zinc/61/17/53/504611753.db2.gz WHSFAHVDOUOYOE-FQEVSTJZSA-N 2 1 366.534 3.375 20 0 FGADMP C[N@H+]1CC[C@@H](C(=O)N2CC(C)(C)[C@H]2C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000520971092 504618887 /nfs/dbraw/zinc/61/88/87/504618887.db2.gz BUBCMRQHAKEZII-NHCUHLMSSA-N 2 1 369.553 3.087 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000542849806 504633279 /nfs/dbraw/zinc/63/32/79/504633279.db2.gz SFHCEMNKNSZSEF-FDFHNCONSA-N 2 1 372.553 3.471 20 0 FGADMP CCC1(CC)[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@@H]1OC ZINC000542847860 504633852 /nfs/dbraw/zinc/63/38/52/504633852.db2.gz YCUJYJMDDMGNLH-NJYVYQBISA-N 2 1 360.542 3.327 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061680 504640455 /nfs/dbraw/zinc/64/04/55/504640455.db2.gz LDEJJSCHSKODTE-YLJYHZDGSA-N 2 1 369.509 3.226 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1)c1ccco1 ZINC000521061680 504640462 /nfs/dbraw/zinc/64/04/62/504640462.db2.gz LDEJJSCHSKODTE-YLJYHZDGSA-N 2 1 369.509 3.226 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000548989433 504646751 /nfs/dbraw/zinc/64/67/51/504646751.db2.gz FEEUXIAQGBSVOE-UHFFFAOYSA-N 2 1 360.546 3.058 20 0 FGADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000532448703 504655404 /nfs/dbraw/zinc/65/54/04/504655404.db2.gz VTAKJKYASJAITL-QUCCMNQESA-N 2 1 359.514 3.016 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1sccc1Br ZINC000532505488 504673973 /nfs/dbraw/zinc/67/39/73/504673973.db2.gz DKIJRVVVFHDJAL-QWHCGFSZSA-N 2 1 361.349 3.398 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CCN(c3cnccn3)CC2)cc1 ZINC000532519067 504680502 /nfs/dbraw/zinc/68/05/02/504680502.db2.gz GKHMOKUPIRNTHE-MRXNPFEDSA-N 2 1 362.481 3.290 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000532521763 504681382 /nfs/dbraw/zinc/68/13/82/504681382.db2.gz MMHWKWGIEKEXSS-GWCFXTLKSA-N 2 1 350.816 3.096 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)[C@H](CC)C2)CC1 ZINC000546054190 504691212 /nfs/dbraw/zinc/69/12/12/504691212.db2.gz CRONFWMLTIFDFR-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000532660849 504729493 /nfs/dbraw/zinc/72/94/93/504729493.db2.gz LWVYXVSJFJSPBJ-GOSISDBHSA-N 2 1 374.529 3.015 20 0 FGADMP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000539894562 504732857 /nfs/dbraw/zinc/73/28/57/504732857.db2.gz AMZVEWGYCBOSAZ-FDFHNCONSA-N 2 1 373.585 3.328 20 0 FGADMP Fc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000529582662 504735845 /nfs/dbraw/zinc/73/58/45/504735845.db2.gz BRDLGAQREMRCTR-IBGZPJMESA-N 2 1 369.484 3.239 20 0 FGADMP Fc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000529582662 504735850 /nfs/dbraw/zinc/73/58/50/504735850.db2.gz BRDLGAQREMRCTR-IBGZPJMESA-N 2 1 369.484 3.239 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCC(C)CC1 ZINC000521509780 504749827 /nfs/dbraw/zinc/74/98/27/504749827.db2.gz ZZWGXIPUNYDZFO-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154339 504809550 /nfs/dbraw/zinc/80/95/50/504809550.db2.gz APYMPMZREHIDQE-ZWKOTPCHSA-N 2 1 374.488 3.378 20 0 FGADMP CC[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000559278851 504818212 /nfs/dbraw/zinc/81/82/12/504818212.db2.gz RPYJJGSTKFSACQ-OAQYLSRUSA-N 2 1 357.542 3.231 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)ccn1 ZINC000565218261 504827719 /nfs/dbraw/zinc/82/77/19/504827719.db2.gz MLSLQLPTWQQMIU-OAHLLOKOSA-N 2 1 358.486 3.258 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559337342 504839442 /nfs/dbraw/zinc/83/94/42/504839442.db2.gz UCHXLMJCQHVXHR-NNWRFLSQSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337342 504839446 /nfs/dbraw/zinc/83/94/46/504839446.db2.gz UCHXLMJCQHVXHR-NNWRFLSQSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337342 504839449 /nfs/dbraw/zinc/83/94/49/504839449.db2.gz UCHXLMJCQHVXHR-NNWRFLSQSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H](C(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000553172691 504844515 /nfs/dbraw/zinc/84/45/15/504844515.db2.gz YYEVDEBPDCDMAC-AWWSKVOZSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H](C(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172691 504844517 /nfs/dbraw/zinc/84/45/17/504844517.db2.gz YYEVDEBPDCDMAC-AWWSKVOZSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H](C(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172691 504844522 /nfs/dbraw/zinc/84/45/22/504844522.db2.gz YYEVDEBPDCDMAC-AWWSKVOZSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000553328961 504885656 /nfs/dbraw/zinc/88/56/56/504885656.db2.gz PFYDYGBOSIQVPJ-RZUBCFFCSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000553328961 504885662 /nfs/dbraw/zinc/88/56/62/504885662.db2.gz PFYDYGBOSIQVPJ-RZUBCFFCSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553328961 504885666 /nfs/dbraw/zinc/88/56/66/504885666.db2.gz PFYDYGBOSIQVPJ-RZUBCFFCSA-N 2 1 371.569 3.383 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841644 504913736 /nfs/dbraw/zinc/91/37/36/504913736.db2.gz XQWZHKDKCZVBPW-AEFFLSMTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841644 504913738 /nfs/dbraw/zinc/91/37/38/504913738.db2.gz XQWZHKDKCZVBPW-AEFFLSMTSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cc3ccccc3C(F)(F)F)C2)C1 ZINC000549841644 504913742 /nfs/dbraw/zinc/91/37/42/504913742.db2.gz XQWZHKDKCZVBPW-AEFFLSMTSA-N 2 1 356.432 3.027 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559741804 504920533 /nfs/dbraw/zinc/92/05/33/504920533.db2.gz WTMVUWYDOONUHS-YUXAGFNASA-N 2 1 356.485 3.402 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559741804 504920536 /nfs/dbraw/zinc/92/05/36/504920536.db2.gz WTMVUWYDOONUHS-YUXAGFNASA-N 2 1 356.485 3.402 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000559740041 504920576 /nfs/dbraw/zinc/92/05/76/504920576.db2.gz JSOZEBHMXKXKSB-XZOQPEGZSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)C[C@@H]1c1ccccc1 ZINC000559740041 504920577 /nfs/dbraw/zinc/92/05/77/504920577.db2.gz JSOZEBHMXKXKSB-XZOQPEGZSA-N 2 1 364.537 3.471 20 0 FGADMP C[N@@H+](Cc1ccccc1NC(=O)NCC1=CC[NH2+]CC1)C1CCCCC1 ZINC000562746498 504930800 /nfs/dbraw/zinc/93/08/00/504930800.db2.gz BZPZGAZXIIQUCQ-UHFFFAOYSA-N 2 1 356.514 3.492 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1Cl ZINC000562748068 504932003 /nfs/dbraw/zinc/93/20/03/504932003.db2.gz JTKGPVDUCRNMEB-APWZRJJASA-N 2 1 357.885 3.153 20 0 FGADMP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000556663032 504932646 /nfs/dbraw/zinc/93/26/46/504932646.db2.gz ZUERJTSNMFHTPD-BEFAXECRSA-N 2 1 369.912 3.320 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652272 504949691 /nfs/dbraw/zinc/94/96/91/504949691.db2.gz DKCKBMVHJAZSPQ-UONOGXRCSA-N 2 1 361.313 3.055 20 0 FGADMP CC[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000550128073 504972280 /nfs/dbraw/zinc/97/22/80/504972280.db2.gz XOPOBDJOHCHGRV-RTWAWAEBSA-N 2 1 353.510 3.316 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000560063065 504982366 /nfs/dbraw/zinc/98/23/66/504982366.db2.gz NLMKPQFKCWMITF-GGAORHGYSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000560063065 504982370 /nfs/dbraw/zinc/98/23/70/504982370.db2.gz NLMKPQFKCWMITF-GGAORHGYSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239529 504999484 /nfs/dbraw/zinc/99/94/84/504999484.db2.gz UWEGISQTBOPHIC-DENIHFKCSA-N 2 1 360.542 3.142 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239529 504999489 /nfs/dbraw/zinc/99/94/89/504999489.db2.gz UWEGISQTBOPHIC-DENIHFKCSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239529 504999493 /nfs/dbraw/zinc/99/94/93/504999493.db2.gz UWEGISQTBOPHIC-DENIHFKCSA-N 2 1 360.542 3.142 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(C(C)(C)C)cc3)C2)C1 ZINC000550239529 504999496 /nfs/dbraw/zinc/99/94/96/504999496.db2.gz UWEGISQTBOPHIC-DENIHFKCSA-N 2 1 360.542 3.142 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000565827807 505000188 /nfs/dbraw/zinc/00/01/88/505000188.db2.gz IYKXMBVZCSAQBH-HLLBOEOZSA-N 2 1 350.528 3.194 20 0 FGADMP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000556884436 505005421 /nfs/dbraw/zinc/00/54/21/505005421.db2.gz KFYCWHBPVPDWLN-CSEOROSGSA-N 2 1 369.553 3.182 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262682 505005997 /nfs/dbraw/zinc/00/59/97/505005997.db2.gz NQMBSIPRCUWJKY-WOJBJXKFSA-N 2 1 360.567 3.400 20 0 FGADMP Cc1ncc(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c(=O)[nH]1 ZINC000556889943 505007960 /nfs/dbraw/zinc/00/79/60/505007960.db2.gz LOUUBCOHCNYIDH-CEWLAPEOSA-N 2 1 366.509 3.271 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)Nc1cc(C[NH+]3CCCC3)ccc1C)CC2 ZINC000565896769 505020017 /nfs/dbraw/zinc/02/00/17/505020017.db2.gz VXQZDKSLTBQQAS-SFHVURJKSA-N 2 1 352.482 3.297 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1n1cccn1 ZINC000550326312 505023486 /nfs/dbraw/zinc/02/34/86/505023486.db2.gz YSMXJOOHKIGCPW-AOIWZFSPSA-N 2 1 368.525 3.244 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)[C@H]1n1cccn1 ZINC000550326312 505023491 /nfs/dbraw/zinc/02/34/91/505023491.db2.gz YSMXJOOHKIGCPW-AOIWZFSPSA-N 2 1 368.525 3.244 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1)CC1CC1 ZINC000550392851 505033134 /nfs/dbraw/zinc/03/31/34/505033134.db2.gz MOFPJYXAFNKGOL-UHFFFAOYSA-N 2 1 354.498 3.309 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005005 505052223 /nfs/dbraw/zinc/05/22/23/505052223.db2.gz NSJFYWUJLNRIMR-HXUWFJFHSA-N 2 1 374.475 3.163 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1CC1 ZINC000566005005 505052225 /nfs/dbraw/zinc/05/22/25/505052225.db2.gz NSJFYWUJLNRIMR-HXUWFJFHSA-N 2 1 374.475 3.163 20 0 FGADMP CCOc1ccccc1NC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH3+])CC1 ZINC000563153056 505061686 /nfs/dbraw/zinc/06/16/86/505061686.db2.gz RXNFVQZZHUYKSR-NRFANRHFSA-N 2 1 367.493 3.436 20 0 FGADMP [NH3+]CCC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566073205 505072197 /nfs/dbraw/zinc/07/21/97/505072197.db2.gz JRCXNSBDTBWASN-NRFANRHFSA-N 2 1 372.557 3.059 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000563208171 505076150 /nfs/dbraw/zinc/07/61/50/505076150.db2.gz UXKOPTJHWYNTQQ-UWJYYQICSA-N 2 1 373.541 3.198 20 0 FGADMP COc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000563208171 505076155 /nfs/dbraw/zinc/07/61/55/505076155.db2.gz UXKOPTJHWYNTQQ-UWJYYQICSA-N 2 1 373.541 3.198 20 0 FGADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000557336653 505110020 /nfs/dbraw/zinc/11/00/20/505110020.db2.gz TYQJUSSDMXRGGT-RBUKOAKNSA-N 2 1 358.530 3.218 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1)c1cccc(Cl)c1 ZINC000566209509 505112924 /nfs/dbraw/zinc/11/29/24/505112924.db2.gz XJSZYHSTOBYSQU-ROUUACIJSA-N 2 1 363.933 3.179 20 0 FGADMP O[C@]1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCSC1 ZINC000560528775 505116577 /nfs/dbraw/zinc/11/65/77/505116577.db2.gz KRZVHVRTFMGRMF-BQJUDKOJSA-N 2 1 360.567 3.135 20 0 FGADMP c1c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000566230293 505119001 /nfs/dbraw/zinc/11/90/01/505119001.db2.gz ZVLTYGSFJQICOT-BGYRXZFFSA-N 2 1 373.504 3.366 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000566245802 505122620 /nfs/dbraw/zinc/12/26/20/505122620.db2.gz SYWHPNPFUXIMCW-UOVPBQLFSA-N 2 1 363.933 3.227 20 0 FGADMP CCOc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1 ZINC000557423776 505130465 /nfs/dbraw/zinc/13/04/65/505130465.db2.gz VPRUUGXCSMODHO-UHFFFAOYSA-N 2 1 359.514 3.220 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000554386830 505162678 /nfs/dbraw/zinc/16/26/78/505162678.db2.gz GXMKMVMZFOMQGD-SFHVURJKSA-N 2 1 370.522 3.438 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC2(C)CC[NH2+]CC2)C1 ZINC000563545550 505172583 /nfs/dbraw/zinc/17/25/83/505172583.db2.gz BDKKGZJJWDLXOM-HDICACEKSA-N 2 1 372.557 3.106 20 0 FGADMP CCSCc1ccccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000563679387 505208727 /nfs/dbraw/zinc/20/87/27/505208727.db2.gz YXKWNTLPSJRVEL-UHFFFAOYSA-N 2 1 370.522 3.339 20 0 FGADMP Cc1nc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cs1 ZINC000560897335 505208986 /nfs/dbraw/zinc/20/89/86/505208986.db2.gz CJKJETRZGBHCGC-OAHLLOKOSA-N 2 1 372.538 3.128 20 0 FGADMP OC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620036 505224123 /nfs/dbraw/zinc/22/41/23/505224123.db2.gz YBXZFSYLUANKHO-WOJBJXKFSA-N 2 1 354.494 3.217 20 0 FGADMP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620036 505224128 /nfs/dbraw/zinc/22/41/28/505224128.db2.gz YBXZFSYLUANKHO-WOJBJXKFSA-N 2 1 354.494 3.217 20 0 FGADMP C[C@@H](C(=O)N(C)CCC[NH+](C)Cc1ccco1)[N@H+]1CCc2ccccc2C1 ZINC000557770423 505226279 /nfs/dbraw/zinc/22/62/79/505226279.db2.gz LYCITLAYFXTAQO-SFHVURJKSA-N 2 1 369.509 3.007 20 0 FGADMP C[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccco1)[NH+]1CCc2ccccc2C1 ZINC000557770423 505226283 /nfs/dbraw/zinc/22/62/83/505226283.db2.gz LYCITLAYFXTAQO-SFHVURJKSA-N 2 1 369.509 3.007 20 0 FGADMP C[C@@H](C(=O)N(C)CCC[N@@H+](C)Cc1ccco1)[NH+]1CCc2ccccc2C1 ZINC000557770423 505226286 /nfs/dbraw/zinc/22/62/86/505226286.db2.gz LYCITLAYFXTAQO-SFHVURJKSA-N 2 1 369.509 3.007 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)C1 ZINC000557812178 505236094 /nfs/dbraw/zinc/23/60/94/505236094.db2.gz NEWZPNJSDXZUNU-QCFAMHMHSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000551537089 505246731 /nfs/dbraw/zinc/24/67/31/505246731.db2.gz LSCRRJNZWUJQJL-SFTDATJTSA-N 2 1 359.558 3.240 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1(c2ccccc2)CCCC1 ZINC000554735049 505251897 /nfs/dbraw/zinc/25/18/97/505251897.db2.gz OHMIJIOGBOXWPB-IBGZPJMESA-N 2 1 371.569 3.419 20 0 FGADMP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(F)cc1F ZINC000561200109 505278521 /nfs/dbraw/zinc/27/85/21/505278521.db2.gz SNYLOIFKCHJYHD-IBGZPJMESA-N 2 1 365.468 3.139 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1nc2ccc(F)cc2s1 ZINC000554882173 505288897 /nfs/dbraw/zinc/28/88/97/505288897.db2.gz HPFOGKMJTSDKMM-MRXNPFEDSA-N 2 1 364.534 3.283 20 0 FGADMP CCN(CC)CC(=O)Nc1cccc(NCc2cc(OC)cc(C)n2)c1 ZINC000554890655 505291978 /nfs/dbraw/zinc/29/19/78/505291978.db2.gz RWVIBAXEZTYAQC-UHFFFAOYSA-N 2 1 356.470 3.291 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1CCCCCC1 ZINC000561282979 505304751 /nfs/dbraw/zinc/30/47/51/505304751.db2.gz LFDPLERPCYMFDW-NZQKXSOJSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000551908373 505339914 /nfs/dbraw/zinc/33/99/14/505339914.db2.gz HRVNOMQRYAZZLJ-FXAWDEMLSA-N 2 1 373.541 3.067 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000567052341 505350205 /nfs/dbraw/zinc/35/02/05/505350205.db2.gz WITXPMIUXXKWQF-RDTXWAMCSA-N 2 1 364.440 3.150 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000551985349 505362859 /nfs/dbraw/zinc/36/28/59/505362859.db2.gz WOPKXJCAXBWZHD-HNAYVOBHSA-N 2 1 365.905 3.306 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CO[C@@H](C)c1ccc(Cl)cc1 ZINC000551985349 505362861 /nfs/dbraw/zinc/36/28/61/505362861.db2.gz WOPKXJCAXBWZHD-HNAYVOBHSA-N 2 1 365.905 3.306 20 0 FGADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000555148557 505364135 /nfs/dbraw/zinc/36/41/35/505364135.db2.gz MMDBMPWTVPFCPG-LJQANCHMSA-N 2 1 373.545 3.054 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000555148557 505364141 /nfs/dbraw/zinc/36/41/41/505364141.db2.gz MMDBMPWTVPFCPG-LJQANCHMSA-N 2 1 373.545 3.054 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000555172361 505370097 /nfs/dbraw/zinc/37/00/97/505370097.db2.gz MQVVPTTZBKMVRQ-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@]12CCC[N@H+]1C[C@H](c1noc(-c3cccc(C[NH+]4CCCC4)c3)n1)OC2 ZINC000567199943 505392608 /nfs/dbraw/zinc/39/26/08/505392608.db2.gz IXYNIRXFCYDXOT-WIYYLYMNSA-N 2 1 368.481 3.258 20 0 FGADMP COc1c(Br)cccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000552110904 505404039 /nfs/dbraw/zinc/40/40/39/505404039.db2.gz GVUOUWAWCJINEY-KRWDZBQOSA-N 2 1 353.304 3.375 20 0 FGADMP C[C@H]([NH2+]C1(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCOCC1)c1ccccc1 ZINC000552249947 505440630 /nfs/dbraw/zinc/44/06/30/505440630.db2.gz QIPJQXVXWVXKEQ-PDGJWGCVSA-N 2 1 371.569 3.349 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284326 505450257 /nfs/dbraw/zinc/45/02/57/505450257.db2.gz WOJITBJWLKKGRR-RCCFBDPRSA-N 2 1 359.905 3.192 20 0 FGADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]Cc3ccccn3)C3(C2)CCOCC3)cc1 ZINC000555612375 505474773 /nfs/dbraw/zinc/47/47/73/505474773.db2.gz LUXPCMUMXISQGM-FQEVSTJZSA-N 2 1 351.494 3.100 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]Cc3ccccn3)C3(C2)CCOCC3)cc1 ZINC000555612375 505474775 /nfs/dbraw/zinc/47/47/75/505474775.db2.gz LUXPCMUMXISQGM-FQEVSTJZSA-N 2 1 351.494 3.100 20 0 FGADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000567589415 505508275 /nfs/dbraw/zinc/50/82/75/505508275.db2.gz OYPCMNLVJHXFOD-CYBMUJFWSA-N 2 1 361.287 3.077 20 0 FGADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C1 ZINC000567589415 505508276 /nfs/dbraw/zinc/50/82/76/505508276.db2.gz OYPCMNLVJHXFOD-CYBMUJFWSA-N 2 1 361.287 3.077 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000562083488 505513609 /nfs/dbraw/zinc/51/36/09/505513609.db2.gz XDYXLJAXIOXCOI-GOSISDBHSA-N 2 1 355.482 3.193 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c(OC)n1 ZINC000562095045 505517487 /nfs/dbraw/zinc/51/74/87/505517487.db2.gz SOUPXLZOBNPEIR-SLFFLAALSA-N 2 1 367.493 3.099 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c(OC)n1 ZINC000562095045 505517489 /nfs/dbraw/zinc/51/74/89/505517489.db2.gz SOUPXLZOBNPEIR-SLFFLAALSA-N 2 1 367.493 3.099 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC[N@@H+]3CCC[C@H](C)C3)c2cc1C ZINC000567678578 505532851 /nfs/dbraw/zinc/53/28/51/505532851.db2.gz WOJSZYSZXZHJQO-PXNSSMCTSA-N 2 1 372.557 3.116 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000567715189 505546697 /nfs/dbraw/zinc/54/66/97/505546697.db2.gz SOJSINBPCKIKBK-CMKODMSKSA-N 2 1 372.557 3.056 20 0 FGADMP [NH3+][C@@H]1CCCC[C@H]1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567732208 505551379 /nfs/dbraw/zinc/55/13/79/505551379.db2.gz ZBCBTIZLEPWIFT-GOEBONIOSA-N 2 1 350.532 3.365 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567772995 505561697 /nfs/dbraw/zinc/56/16/97/505561697.db2.gz RGBWUYZUKGVVQT-QMMLZNLJSA-N 2 1 351.494 3.418 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000567817475 505565840 /nfs/dbraw/zinc/56/58/40/505565840.db2.gz SKCSHRKZTFGFRS-YADHBBJMSA-N 2 1 363.505 3.000 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000608061597 506402661 /nfs/dbraw/zinc/40/26/61/506402661.db2.gz ZKBNOZWAOHICCN-QFBILLFUSA-N 2 1 355.482 3.242 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OCc1ccncc1 ZINC000608061597 506402666 /nfs/dbraw/zinc/40/26/66/506402666.db2.gz ZKBNOZWAOHICCN-QFBILLFUSA-N 2 1 355.482 3.242 20 0 FGADMP CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904259 506480965 /nfs/dbraw/zinc/48/09/65/506480965.db2.gz JBFNGVNTSFQUJI-MOPGFXCFSA-N 2 1 355.526 3.173 20 0 FGADMP CC(C)(C)N1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1=O ZINC000582904259 506480969 /nfs/dbraw/zinc/48/09/69/506480969.db2.gz JBFNGVNTSFQUJI-MOPGFXCFSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357725 506523245 /nfs/dbraw/zinc/52/32/45/506523245.db2.gz GELDYTBPCUQUDF-FPOVZHCZSA-N 2 1 357.542 3.279 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000583028649 506548334 /nfs/dbraw/zinc/54/83/34/506548334.db2.gz RJYPAACCUJLAOM-BJLQDIEVSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583028649 506548338 /nfs/dbraw/zinc/54/83/38/506548338.db2.gz RJYPAACCUJLAOM-BJLQDIEVSA-N 2 1 360.546 3.067 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000583028649 506548344 /nfs/dbraw/zinc/54/83/44/506548344.db2.gz RJYPAACCUJLAOM-BJLQDIEVSA-N 2 1 360.546 3.067 20 0 FGADMP C(CC[N@H+]1CCOC[C@@H](C2CCC2)C1)C[NH+]1CCOC[C@H](C2CCC2)C1 ZINC000583060960 506566416 /nfs/dbraw/zinc/56/64/16/506566416.db2.gz GKMXZQJBLLLROP-SZPZYZBQSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000583060960 506566423 /nfs/dbraw/zinc/56/64/23/506566423.db2.gz GKMXZQJBLLLROP-SZPZYZBQSA-N 2 1 364.574 3.264 20 0 FGADMP C(CC[N@H+]1CCOC[C@H](C2CCC2)C1)C[NH+]1CCOC[C@@H](C2CCC2)C1 ZINC000583060960 506566427 /nfs/dbraw/zinc/56/64/27/506566427.db2.gz GKMXZQJBLLLROP-SZPZYZBQSA-N 2 1 364.574 3.264 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000583136783 506609644 /nfs/dbraw/zinc/60/96/44/506609644.db2.gz RFIYUJUZBVJXBR-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000583136783 506609651 /nfs/dbraw/zinc/60/96/51/506609651.db2.gz RFIYUJUZBVJXBR-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000583136783 506609658 /nfs/dbraw/zinc/60/96/58/506609658.db2.gz RFIYUJUZBVJXBR-RBUKOAKNSA-N 2 1 374.573 3.446 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000608691524 506666723 /nfs/dbraw/zinc/66/67/23/506666723.db2.gz DTBSWKCIDJQGKZ-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000608691524 506666736 /nfs/dbraw/zinc/66/67/36/506666736.db2.gz DTBSWKCIDJQGKZ-NHCUHLMSSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)n2cc(C)ccc2n1 ZINC000589999862 506701269 /nfs/dbraw/zinc/70/12/69/506701269.db2.gz ZNRJKJKWNXSHOZ-UHFFFAOYSA-N 2 1 364.493 3.087 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Cn1c2ccccc2c2ccccc21 ZINC000583317083 506713904 /nfs/dbraw/zinc/71/39/04/506713904.db2.gz PHNAJNUKHHTGMK-MJGOQNOKSA-N 2 1 363.505 3.229 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000600092935 506773198 /nfs/dbraw/zinc/77/31/98/506773198.db2.gz SGXDGJYPJCYSOD-RBUKOAKNSA-N 2 1 359.558 3.176 20 0 FGADMP COC(=O)[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000597182025 506818203 /nfs/dbraw/zinc/81/82/03/506818203.db2.gz QPAJGBLVNYOONG-NEPJUHHUSA-N 2 1 373.400 3.107 20 0 FGADMP COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2cc(-n3ccnc3)cs2)C1 ZINC000597182025 506818209 /nfs/dbraw/zinc/81/82/09/506818209.db2.gz QPAJGBLVNYOONG-NEPJUHHUSA-N 2 1 373.400 3.107 20 0 FGADMP COc1ccc(C(C)C)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000593959290 506850334 /nfs/dbraw/zinc/85/03/34/506850334.db2.gz KTIOBJUZIJJNMB-OAQYLSRUSA-N 2 1 359.558 3.419 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000593963851 506854268 /nfs/dbraw/zinc/85/42/68/506854268.db2.gz FCAWMEJRTLRMDG-CTNGQTDRSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2conc2Cc2ccccc2)c1 ZINC000583644336 506891655 /nfs/dbraw/zinc/89/16/55/506891655.db2.gz ZPHUAMCQSLNTEO-UHFFFAOYSA-N 2 1 365.477 3.496 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128598 506930631 /nfs/dbraw/zinc/93/06/31/506930631.db2.gz HNLXALGLGTXDAE-UGKGYDQZSA-N 2 1 371.569 3.130 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]1C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000590788224 506958784 /nfs/dbraw/zinc/95/87/84/506958784.db2.gz WMNPEHCASXWEMW-LJQANCHMSA-N 2 1 359.539 3.048 20 0 FGADMP COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000583872671 507023005 /nfs/dbraw/zinc/02/30/05/507023005.db2.gz XXQVDFWPVMEMSR-CALCHBBNSA-N 2 1 371.506 3.028 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000583880139 507028756 /nfs/dbraw/zinc/02/87/56/507028756.db2.gz OJSFASYJLQCDKN-INIZCTEOSA-N 2 1 369.444 3.421 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000583880139 507028764 /nfs/dbraw/zinc/02/87/64/507028764.db2.gz OJSFASYJLQCDKN-INIZCTEOSA-N 2 1 369.444 3.421 20 0 FGADMP C[C@@H](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[NH+]1CCCCC1 ZINC000613465919 507105187 /nfs/dbraw/zinc/10/51/87/507105187.db2.gz SHUVHIWPFCJCKH-INIZCTEOSA-N 2 1 368.525 3.150 20 0 FGADMP C[C@@H](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[NH+]1CCCCC1 ZINC000613465919 507105192 /nfs/dbraw/zinc/10/51/92/507105192.db2.gz SHUVHIWPFCJCKH-INIZCTEOSA-N 2 1 368.525 3.150 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106391 507118381 /nfs/dbraw/zinc/11/83/81/507118381.db2.gz MZRKZPFKHKTKHX-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106391 507118388 /nfs/dbraw/zinc/11/83/88/507118388.db2.gz MZRKZPFKHKTKHX-MOPGFXCFSA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106392 507118587 /nfs/dbraw/zinc/11/85/87/507118587.db2.gz MZRKZPFKHKTKHX-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000591106392 507118595 /nfs/dbraw/zinc/11/85/95/507118595.db2.gz MZRKZPFKHKTKHX-OALUTQOASA-N 2 1 363.933 3.468 20 0 FGADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000591161525 507138159 /nfs/dbraw/zinc/13/81/59/507138159.db2.gz JUJQULIVGISMSL-FQEVSTJZSA-N 2 1 354.498 3.307 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000600854955 507148922 /nfs/dbraw/zinc/14/89/22/507148922.db2.gz YKGMGHQIECKASR-PMACEKPBSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000600854955 507148931 /nfs/dbraw/zinc/14/89/31/507148931.db2.gz YKGMGHQIECKASR-PMACEKPBSA-N 2 1 374.573 3.461 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000600854955 507148938 /nfs/dbraw/zinc/14/89/38/507148938.db2.gz YKGMGHQIECKASR-PMACEKPBSA-N 2 1 374.573 3.461 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000600859703 507149744 /nfs/dbraw/zinc/14/97/44/507149744.db2.gz MXYFRQOYDNIDMX-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000600859703 507149748 /nfs/dbraw/zinc/14/97/48/507149748.db2.gz MXYFRQOYDNIDMX-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000600859703 507149753 /nfs/dbraw/zinc/14/97/53/507149753.db2.gz MXYFRQOYDNIDMX-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+]1CC)Cc1ccccc1 ZINC000600862685 507150089 /nfs/dbraw/zinc/15/00/89/507150089.db2.gz CGGWLDIKNBMYDS-SFTDATJTSA-N 2 1 374.573 3.113 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000605398536 507172785 /nfs/dbraw/zinc/17/27/85/507172785.db2.gz PTJYXTGHMPHPQV-JOCHJYFZSA-N 2 1 372.472 3.251 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613660073 507203540 /nfs/dbraw/zinc/20/35/40/507203540.db2.gz HGPDOLNEHNRDDH-DFQSSKMNSA-N 2 1 373.541 3.152 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCCN(Cc3cccs3)C2)c(C)o1 ZINC000594617694 507214964 /nfs/dbraw/zinc/21/49/64/507214964.db2.gz WZUGCTMMOUVVKH-OAHLLOKOSA-N 2 1 362.495 3.438 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c(C)o1 ZINC000594617694 507214972 /nfs/dbraw/zinc/21/49/72/507214972.db2.gz WZUGCTMMOUVVKH-OAHLLOKOSA-N 2 1 362.495 3.438 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c(C)o1 ZINC000594617694 507214982 /nfs/dbraw/zinc/21/49/82/507214982.db2.gz WZUGCTMMOUVVKH-OAHLLOKOSA-N 2 1 362.495 3.438 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000605951077 507310196 /nfs/dbraw/zinc/31/01/96/507310196.db2.gz CYHSNXKNSBYRSQ-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000605951077 507310203 /nfs/dbraw/zinc/31/02/03/507310203.db2.gz CYHSNXKNSBYRSQ-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000605988582 507320051 /nfs/dbraw/zinc/32/00/51/507320051.db2.gz NXAAWXZTFBJGOF-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP COc1ccc(-c2nn(-c3ccccc3)cc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000613995237 507328809 /nfs/dbraw/zinc/32/88/09/507328809.db2.gz HGCUVFZVUWSBCT-RTBURBONSA-N 2 1 374.488 3.199 20 0 FGADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc(OC)c1O ZINC000584496569 507377135 /nfs/dbraw/zinc/37/71/35/507377135.db2.gz JFTVCFCSRZQWQN-IYBDPMFKSA-N 2 1 350.503 3.257 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(I)cc2)[C@H](C)C1 ZINC000595095624 507390099 /nfs/dbraw/zinc/39/00/99/507390099.db2.gz RTPXMXSJFHAOLX-CJNGLKHVSA-N 2 1 372.294 3.154 20 0 FGADMP CCc1ccc(CN2CCN(C(=O)[C@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000606535117 507436509 /nfs/dbraw/zinc/43/65/09/507436509.db2.gz BHVQQHMHTNXGOM-BBWFWOEESA-N 2 1 363.571 3.216 20 0 FGADMP CN(C)[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536341 507437795 /nfs/dbraw/zinc/43/77/95/507437795.db2.gz VAAYQBNFJFUJEI-IBGZPJMESA-N 2 1 363.933 3.420 20 0 FGADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000606628101 507458299 /nfs/dbraw/zinc/45/82/99/507458299.db2.gz RYQPYEWZBUIOQS-NRFANRHFSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCSc3ccc(F)cc3F)C2)CC1 ZINC000595337754 507463347 /nfs/dbraw/zinc/46/33/47/507463347.db2.gz KHAHNEPLHHNXFR-QGZVFWFLSA-N 2 1 369.525 3.157 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000607088667 507608133 /nfs/dbraw/zinc/60/81/33/507608133.db2.gz NWFSZSFGRIISCT-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000586756130 507661188 /nfs/dbraw/zinc/66/11/88/507661188.db2.gz CADLQFNUWSLPFT-HDAAZOAOSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756130 507661194 /nfs/dbraw/zinc/66/11/94/507661194.db2.gz CADLQFNUWSLPFT-HDAAZOAOSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000586756130 507661198 /nfs/dbraw/zinc/66/11/98/507661198.db2.gz CADLQFNUWSLPFT-HDAAZOAOSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283586 507677528 /nfs/dbraw/zinc/67/75/28/507677528.db2.gz JNHDSGWAVBIHSF-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000607283586 507677534 /nfs/dbraw/zinc/67/75/34/507677534.db2.gz JNHDSGWAVBIHSF-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000607283586 507677542 /nfs/dbraw/zinc/67/75/42/507677542.db2.gz JNHDSGWAVBIHSF-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000607283586 507677551 /nfs/dbraw/zinc/67/75/51/507677551.db2.gz JNHDSGWAVBIHSF-SVFBPWRDSA-N 2 1 357.542 3.278 20 0 FGADMP C[N@@H+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[NH+](C)C1 ZINC000607358491 507700529 /nfs/dbraw/zinc/70/05/29/507700529.db2.gz NLKBPERSSBANLM-RTBURBONSA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@H+](C)C1 ZINC000607358491 507700536 /nfs/dbraw/zinc/70/05/36/507700536.db2.gz NLKBPERSSBANLM-RTBURBONSA-N 2 1 365.521 3.429 20 0 FGADMP C[NH+](C[C@@H](O)Cn1c2ccccc2c2ccccc21)C[C@@H]1CCC[N@@H+](C)C1 ZINC000607358491 507700543 /nfs/dbraw/zinc/70/05/43/507700543.db2.gz NLKBPERSSBANLM-RTBURBONSA-N 2 1 365.521 3.429 20 0 FGADMP COc1cc(C)c([C@H](C)[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962523 507706210 /nfs/dbraw/zinc/70/62/10/507706210.db2.gz LFJZBVNEBXJYQW-PMACEKPBSA-N 2 1 359.558 3.473 20 0 FGADMP O[C@@]1(C[NH2+]Cc2ccccc2N2CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000607366573 507706224 /nfs/dbraw/zinc/70/62/24/507706224.db2.gz OYQJKLBMKRFFCC-HSZRJFAPSA-N 2 1 365.521 3.013 20 0 FGADMP O[C@@]1(C[NH2+]Cc2ccccc2N2CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366573 507706229 /nfs/dbraw/zinc/70/62/29/507706229.db2.gz OYQJKLBMKRFFCC-HSZRJFAPSA-N 2 1 365.521 3.013 20 0 FGADMP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)c1 ZINC000643251873 568352438 /nfs/dbraw/zinc/35/24/38/568352438.db2.gz NBMCGSAGFATEJG-JOCHJYFZSA-N 2 1 370.468 3.311 20 0 FGADMP Fc1cccc(O[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C2)c1 ZINC000643251873 568352440 /nfs/dbraw/zinc/35/24/40/568352440.db2.gz NBMCGSAGFATEJG-JOCHJYFZSA-N 2 1 370.468 3.311 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000820111924 606209370 /nfs/dbraw/zinc/20/93/70/606209370.db2.gz GZZAVJBETNIMOA-UHFFFAOYSA-N 2 1 356.499 3.058 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824936543 608743252 /nfs/dbraw/zinc/74/32/52/608743252.db2.gz IYGKGWFZUFGNSR-HNNXBMFYSA-N 2 1 374.558 3.405 20 0 FGADMP C[C@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824875947 609133534 /nfs/dbraw/zinc/13/35/34/609133534.db2.gz PSIRSWQGXNQVFU-KFWWJZLASA-N 2 1 360.481 3.024 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000037917905 695755588 /nfs/dbraw/zinc/75/55/88/695755588.db2.gz PHMKQTVZZCYKGA-PBHICJAKSA-N 2 1 353.304 3.292 20 0 FGADMP C#CCOc1ccc(Br)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754184 695952771 /nfs/dbraw/zinc/95/27/71/695952771.db2.gz WVQIAJVQPIBVRU-UHFFFAOYSA-N 2 1 362.271 3.146 20 0 FGADMP Brc1cc(C[NH2+]CCC[NH+]2CCCC2)cc2c1OCCCO2 ZINC000073843752 695973996 /nfs/dbraw/zinc/97/39/96/695973996.db2.gz MKVHBFPACBMDLZ-UHFFFAOYSA-N 2 1 369.303 3.186 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338012 /nfs/dbraw/zinc/33/80/12/700338012.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338017 /nfs/dbraw/zinc/33/80/17/700338017.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000081571756 700338022 /nfs/dbraw/zinc/33/80/22/700338022.db2.gz OEYSXLABUXXKRE-GOSISDBHSA-N 2 1 353.551 3.297 20 0 FGADMP FC(F)(F)c1cccnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734932 700453898 /nfs/dbraw/zinc/45/38/98/700453898.db2.gz JMGAJDPKLOFSAR-UHFFFAOYSA-N 2 1 357.420 3.177 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000125073705 700729752 /nfs/dbraw/zinc/72/97/52/700729752.db2.gz WLVKTUZAYJFTQZ-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000125073705 700729753 /nfs/dbraw/zinc/72/97/53/700729753.db2.gz WLVKTUZAYJFTQZ-NVXWUHKLSA-N 2 1 350.507 3.349 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000179903524 705720874 /nfs/dbraw/zinc/72/08/74/705720874.db2.gz FMNORELWEPIENM-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000179903524 705720879 /nfs/dbraw/zinc/72/08/79/705720879.db2.gz FMNORELWEPIENM-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903524 705720881 /nfs/dbraw/zinc/72/08/81/705720881.db2.gz FMNORELWEPIENM-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2CCN(C(=O)OC(C)(C)C)CC2)CC[NH+]1C ZINC000179903524 705720883 /nfs/dbraw/zinc/72/08/83/705720883.db2.gz FMNORELWEPIENM-AEFFLSMTSA-N 2 1 353.551 3.438 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C ZINC000180626455 705750739 /nfs/dbraw/zinc/75/07/39/705750739.db2.gz YOGUSUOGQRQUAQ-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cc(Cl)ccc3Cl)C[C@@H]21 ZINC000261897175 713715760 /nfs/dbraw/zinc/71/57/60/713715760.db2.gz OKOROYYWISMVAE-CORIIIEPSA-N 2 1 356.297 3.381 20 0 FGADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000301466951 713782165 /nfs/dbraw/zinc/78/21/65/713782165.db2.gz XOJCDSLMPIYTCX-KURKYZTESA-N 2 1 353.551 3.390 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC[C@H]1C ZINC000375082195 713965623 /nfs/dbraw/zinc/96/56/23/713965623.db2.gz RMZBHACIEKEGKN-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP CCCC[C@H](CC)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000438127680 714028220 /nfs/dbraw/zinc/02/82/20/714028220.db2.gz NHVZEEPEKXJENZ-IBGZPJMESA-N 2 1 351.579 3.469 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000453241282 714057323 /nfs/dbraw/zinc/05/73/23/714057323.db2.gz UEQDSLSUOSSWIC-PEVDHWGLSA-N 2 1 364.555 3.015 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC(CS(C)(=O)=O)CC2)C[C@@H]1c1ccccc1 ZINC000453241282 714057327 /nfs/dbraw/zinc/05/73/27/714057327.db2.gz UEQDSLSUOSSWIC-PEVDHWGLSA-N 2 1 364.555 3.015 20 0 FGADMP C(CC[NH+]1CCC[C@H]2COCC[C@H]21)CC[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000464860418 714074720 /nfs/dbraw/zinc/07/47/20/714074720.db2.gz ZXGDYQIXNJBTQO-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464860418 714074724 /nfs/dbraw/zinc/07/47/24/714074724.db2.gz ZXGDYQIXNJBTQO-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP C(CC[NH+]1CCC[C@@H]2COCC[C@@H]21)CC[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000464860418 714074726 /nfs/dbraw/zinc/07/47/26/714074726.db2.gz ZXGDYQIXNJBTQO-UJOPUZHASA-N 2 1 350.547 3.159 20 0 FGADMP CC(C)(C[NH2+]Cc1cc2c(c(Br)c1)OCO2)C[NH+]1CCCC1 ZINC000480930487 714092059 /nfs/dbraw/zinc/09/20/59/714092059.db2.gz FKJLGTNODARFAF-UHFFFAOYSA-N 2 1 369.303 3.389 20 0 FGADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Br ZINC000525833599 714381540 /nfs/dbraw/zinc/38/15/40/714381540.db2.gz XFPWHBTVLCLPOG-UHFFFAOYSA-N 2 1 368.363 3.215 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000530901872 714424961 /nfs/dbraw/zinc/42/49/61/714424961.db2.gz DZWJKAJWTVTISL-SNRMKQJTSA-N 2 1 354.922 3.022 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COCc2ccc(Cl)cc2)C[C@@H]1C ZINC000530901872 714424964 /nfs/dbraw/zinc/42/49/64/714424964.db2.gz DZWJKAJWTVTISL-SNRMKQJTSA-N 2 1 354.922 3.022 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncsc1C(C)C ZINC000577022990 714460885 /nfs/dbraw/zinc/46/08/85/714460885.db2.gz TWLCJMUGWXRQJT-OAHLLOKOSA-N 2 1 367.563 3.146 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C2CCOCC2)c1)C1CCOCC1 ZINC000579798230 714497596 /nfs/dbraw/zinc/49/75/96/714497596.db2.gz BYXCLYXBWUEKNT-UHFFFAOYSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1Cl ZINC000642630286 717985784 /nfs/dbraw/zinc/98/57/84/717985784.db2.gz RXDFYWQYSQDEOQ-QGZVFWFLSA-N 2 1 366.937 3.116 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100839 714959793 /nfs/dbraw/zinc/95/97/93/714959793.db2.gz YYLFPJPSZLSPGZ-VQIMIIECSA-N 2 1 363.933 3.181 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Cl)cc1 ZINC000621100839 714959795 /nfs/dbraw/zinc/95/97/95/714959795.db2.gz YYLFPJPSZLSPGZ-VQIMIIECSA-N 2 1 363.933 3.181 20 0 FGADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000623657035 715380631 /nfs/dbraw/zinc/38/06/31/715380631.db2.gz IOLXOQPCJPUXAU-INIZCTEOSA-N 2 1 363.933 3.266 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628280233 716134782 /nfs/dbraw/zinc/13/47/82/716134782.db2.gz WTIJFCYTIDQYHV-OAHLLOKOSA-N 2 1 352.320 3.316 20 0 FGADMP [NH3+]C1(C[NH2+][C@@H]2CCc3c2cc(Br)cc3Cl)CCOCC1 ZINC000629522803 716302603 /nfs/dbraw/zinc/30/26/03/716302603.db2.gz BNQBACQHYITTOM-CQSZACIVSA-N 2 1 359.695 3.187 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1C(F)(F)F ZINC000629566743 716309841 /nfs/dbraw/zinc/30/98/41/716309841.db2.gz NVWLRMJWMNZYKA-NEPJUHHUSA-N 2 1 374.432 3.190 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1C(F)(F)F ZINC000629566743 716309853 /nfs/dbraw/zinc/30/98/53/716309853.db2.gz NVWLRMJWMNZYKA-NEPJUHHUSA-N 2 1 374.432 3.190 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657352 716331141 /nfs/dbraw/zinc/33/11/41/716331141.db2.gz WWXNQWKPHWAXQB-GOEBONIOSA-N 2 1 352.404 3.046 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657352 716331143 /nfs/dbraw/zinc/33/11/43/716331143.db2.gz WWXNQWKPHWAXQB-GOEBONIOSA-N 2 1 352.404 3.046 20 0 FGADMP CN(C(=O)CC[C@H]1CCCC[N@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000630005947 716376602 /nfs/dbraw/zinc/37/66/02/716376602.db2.gz IEBMOOZDDGRGFE-OAHLLOKOSA-N 2 1 363.468 3.126 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000769386187 723683848 /nfs/dbraw/zinc/68/38/48/723683848.db2.gz YJYPYJWHOPDQKQ-KSZLIROESA-N 2 1 353.551 3.344 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC(C)(C)C3)CC2)cs1 ZINC000634680607 717107178 /nfs/dbraw/zinc/10/71/78/717107178.db2.gz XNRQHJOCYPTZMK-MRXNPFEDSA-N 2 1 351.560 3.465 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295152 718276101 /nfs/dbraw/zinc/27/61/01/718276101.db2.gz YWLRNGLFNFHLEC-DOTOQJQBSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC(C)(C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295152 718276102 /nfs/dbraw/zinc/27/61/02/718276102.db2.gz YWLRNGLFNFHLEC-DOTOQJQBSA-N 2 1 355.885 3.247 20 0 FGADMP Clc1ccccc1Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000647546150 718366953 /nfs/dbraw/zinc/36/69/53/718366953.db2.gz BDNIGOVAVBWWCL-ROUUACIJSA-N 2 1 358.917 3.406 20 0 FGADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1F ZINC000647902061 718385419 /nfs/dbraw/zinc/38/54/19/718385419.db2.gz ZIHIJOCKJJSPPF-CZUORRHYSA-N 2 1 353.869 3.272 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976602 718391177 /nfs/dbraw/zinc/39/11/77/718391177.db2.gz QXJYXPDDNIMLCG-BPQIPLTHSA-N 2 1 363.933 3.056 20 0 FGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000648719830 718446464 /nfs/dbraw/zinc/44/64/64/718446464.db2.gz NULIDXXQHMGMLJ-CVEARBPZSA-N 2 1 360.527 3.411 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000650706546 718716950 /nfs/dbraw/zinc/71/69/50/718716950.db2.gz NGIWJTARYGSDOU-INMHGKMJSA-N 2 1 358.404 3.304 20 0 FGADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707342 718717699 /nfs/dbraw/zinc/71/76/99/718717699.db2.gz DATKHWKSXLSXLB-CGTJXYLNSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721811 718720154 /nfs/dbraw/zinc/72/01/54/718720154.db2.gz CCFOERJEJSPDMO-OIISXLGYSA-N 2 1 358.404 3.446 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CC[C@@H]4[NH2+]CC[C@H]43)c2c1C ZINC001164410772 718876048 /nfs/dbraw/zinc/87/60/48/718876048.db2.gz GWDVYOKTTQUQCQ-JKSUJKDBSA-N 2 1 371.554 3.235 20 0 FGADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000652208650 718923089 /nfs/dbraw/zinc/92/30/89/718923089.db2.gz KUKZGJDWKHKTTR-DOTOQJQBSA-N 2 1 350.503 3.485 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000652350772 718935342 /nfs/dbraw/zinc/93/53/42/718935342.db2.gz HFCHSGMKSRYOBU-IAISJRAMSA-N 2 1 370.324 3.231 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000652350772 718935346 /nfs/dbraw/zinc/93/53/46/718935346.db2.gz HFCHSGMKSRYOBU-IAISJRAMSA-N 2 1 370.324 3.231 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652354084 718935829 /nfs/dbraw/zinc/93/58/29/718935829.db2.gz MRMVGRPDYNGEBF-CJNGLKHVSA-N 2 1 353.894 3.127 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCOc2ccc(Cl)cc2)C1 ZINC000652361837 718936824 /nfs/dbraw/zinc/93/68/24/718936824.db2.gz QMVOXWXJVXBCBI-QRQLOZEOSA-N 2 1 352.906 3.470 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCOc2cccc(Cl)c2)C1 ZINC000652362256 718936884 /nfs/dbraw/zinc/93/68/84/718936884.db2.gz BKSSGFALQXJPCT-NZSAHSFTSA-N 2 1 352.906 3.470 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)CC(F)(F)F)CC2)CC1 ZINC000655017631 719256096 /nfs/dbraw/zinc/25/60/96/719256096.db2.gz RVZAIJFKVVCDRI-UHFFFAOYSA-N 2 1 363.468 3.030 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)c1 ZINC000655707773 719328184 /nfs/dbraw/zinc/32/81/84/719328184.db2.gz CNPPQEKZZBYPKV-SJLPKXTDSA-N 2 1 352.544 3.017 20 0 FGADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731940 719331245 /nfs/dbraw/zinc/33/12/45/719331245.db2.gz WNDJBIHJUGZDKI-RTBURBONSA-N 2 1 352.906 3.261 20 0 FGADMP Fc1ccc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000655773298 719337905 /nfs/dbraw/zinc/33/79/05/719337905.db2.gz VDQXHXFYWOQQKY-MRXNPFEDSA-N 2 1 356.869 3.091 20 0 FGADMP COCc1csc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000657285991 719618333 /nfs/dbraw/zinc/61/83/33/719618333.db2.gz KGCWDIAVPTVBSJ-KRWDZBQOSA-N 2 1 365.568 3.034 20 0 FGADMP C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658321084 719785499 /nfs/dbraw/zinc/78/54/99/719785499.db2.gz LHKKEGBPIJPCKF-SJLPKXTDSA-N 2 1 352.469 3.427 20 0 FGADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000659453199 719915752 /nfs/dbraw/zinc/91/57/52/719915752.db2.gz WOMUGDRGZQFAPX-KRWDZBQOSA-N 2 1 366.937 3.073 20 0 FGADMP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000659453199 719915754 /nfs/dbraw/zinc/91/57/54/719915754.db2.gz WOMUGDRGZQFAPX-KRWDZBQOSA-N 2 1 366.937 3.073 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498145 720061609 /nfs/dbraw/zinc/06/16/09/720061609.db2.gz XARLSIHWJHBIBE-GOSISDBHSA-N 2 1 365.587 3.363 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498145 720061613 /nfs/dbraw/zinc/06/16/13/720061613.db2.gz XARLSIHWJHBIBE-GOSISDBHSA-N 2 1 365.587 3.363 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCC(=O)NCC(C)C)C2)s1 ZINC000660498145 720061618 /nfs/dbraw/zinc/06/16/18/720061618.db2.gz XARLSIHWJHBIBE-GOSISDBHSA-N 2 1 365.587 3.363 20 0 FGADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535385 720069900 /nfs/dbraw/zinc/06/99/00/720069900.db2.gz JCJQLKAIBLQZSC-WBVHZDCISA-N 2 1 360.420 3.327 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1 ZINC000660535385 720069905 /nfs/dbraw/zinc/06/99/05/720069905.db2.gz JCJQLKAIBLQZSC-WBVHZDCISA-N 2 1 360.420 3.327 20 0 FGADMP CC1(C)C[C@@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566834 720074999 /nfs/dbraw/zinc/07/49/99/720074999.db2.gz RYXXNOHUJQPFEX-LVCYWYKZSA-N 2 1 350.547 3.299 20 0 FGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]3(CCC[N@@H+]([C@@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566834 720075006 /nfs/dbraw/zinc/07/50/06/720075006.db2.gz RYXXNOHUJQPFEX-LVCYWYKZSA-N 2 1 350.547 3.299 20 0 FGADMP CC1(C)C[C@@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566834 720075013 /nfs/dbraw/zinc/07/50/13/720075013.db2.gz RYXXNOHUJQPFEX-LVCYWYKZSA-N 2 1 350.547 3.299 20 0 FGADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809127 720126459 /nfs/dbraw/zinc/12/64/59/720126459.db2.gz HGRKNLUSZQBWLG-NQIIRXRSSA-N 2 1 359.514 3.054 20 0 FGADMP C[C@@]1(C2CC2)C[N@@H+](CCCCC[NH+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200814 /nfs/dbraw/zinc/20/08/14/720200814.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@]1(C2CC2)C[NH+](CCCCC[N@@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200817 /nfs/dbraw/zinc/20/08/17/720200817.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@]1(C2CC2)C[NH+](CCCCC[N@H+]2CCO[C@@](C)(C3CC3)C2)CCO1 ZINC000661166446 720200820 /nfs/dbraw/zinc/20/08/20/720200820.db2.gz AUJLBGFDGYXUMQ-OYRHEFFESA-N 2 1 350.547 3.159 20 0 FGADMP Clc1cc(Br)cnc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274538 720407991 /nfs/dbraw/zinc/40/79/91/720407991.db2.gz VMZLBOCJCCUIKR-NEPJUHHUSA-N 2 1 358.711 3.319 20 0 FGADMP Clc1cc(Br)cnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662274538 720407995 /nfs/dbraw/zinc/40/79/95/720407995.db2.gz VMZLBOCJCCUIKR-NEPJUHHUSA-N 2 1 358.711 3.319 20 0 FGADMP Fc1cc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280228 720408944 /nfs/dbraw/zinc/40/89/44/720408944.db2.gz NCBBHWILSZHUDO-XJKSGUPXSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280228 720408946 /nfs/dbraw/zinc/40/89/46/720408946.db2.gz NCBBHWILSZHUDO-XJKSGUPXSA-N 2 1 369.278 3.246 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283320 720410056 /nfs/dbraw/zinc/41/00/56/720410056.db2.gz HPPPPIIVVGMNKJ-KBMXLJTQSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283320 720410057 /nfs/dbraw/zinc/41/00/57/720410057.db2.gz HPPPPIIVVGMNKJ-KBMXLJTQSA-N 2 1 358.404 3.288 20 0 FGADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1Cl ZINC000662313483 720413953 /nfs/dbraw/zinc/41/39/53/720413953.db2.gz RPXXLLQGKYNSJM-CZUORRHYSA-N 2 1 353.894 3.127 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1cccc(Cl)c1Cl ZINC000662474342 720432356 /nfs/dbraw/zinc/43/23/56/720432356.db2.gz VOUZAONEMJKQRF-NHYWBVRUSA-N 2 1 360.329 3.346 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1cccc(Cl)c1 ZINC000662591578 720443818 /nfs/dbraw/zinc/44/38/18/720443818.db2.gz UDUZBCLKXILNOJ-PKOBYXMFSA-N 2 1 363.933 3.181 20 0 FGADMP CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665636503 720793796 /nfs/dbraw/zinc/79/37/96/720793796.db2.gz APBHUHCZEIEGRT-AWEZNQCLSA-N 2 1 374.982 3.205 20 0 FGADMP CCN(Cc1ccc(Cl)s1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665636503 720793798 /nfs/dbraw/zinc/79/37/98/720793798.db2.gz APBHUHCZEIEGRT-AWEZNQCLSA-N 2 1 374.982 3.205 20 0 FGADMP Cc1cc2[nH]ccc2c(N2CCn3c(C[N@H+](C)C(C)C)cnc3[C@H]2C)[nH+]1 ZINC001164860385 720968978 /nfs/dbraw/zinc/96/89/78/720968978.db2.gz NRMMMPRDTQLQNU-OAHLLOKOSA-N 2 1 352.486 3.489 20 0 FGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC4(C3)CC[N@@H+](CC3CC3)C4)c12 ZINC001164774093 721290727 /nfs/dbraw/zinc/29/07/27/721290727.db2.gz WRMIZKDLTUNOFL-UHFFFAOYSA-N 2 1 373.504 3.402 20 0 FGADMP c1cn(Cc2ccccc2)c2nc[nH+]c(N3CC4(C3)CC[N@H+](CC3CC3)C4)c12 ZINC001164774093 721290733 /nfs/dbraw/zinc/29/07/33/721290733.db2.gz WRMIZKDLTUNOFL-UHFFFAOYSA-N 2 1 373.504 3.402 20 0 FGADMP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCC[C@H]3CC[NH+]3CCCC3)c2)CC1 ZINC001165049188 721978250 /nfs/dbraw/zinc/97/82/50/721978250.db2.gz IDEDYKGZDMWRNE-IBGZPJMESA-N 3 1 372.557 3.399 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700800000 722409934 /nfs/dbraw/zinc/40/99/34/722409934.db2.gz NVPSAQQPLOPGMH-SJORKVTESA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000741781555 722549066 /nfs/dbraw/zinc/54/90/66/722549066.db2.gz DTDNZJIZUYMTOF-GOSISDBHSA-N 2 1 353.551 3.296 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1ccc(F)cc1F ZINC000751009174 722790236 /nfs/dbraw/zinc/79/02/36/722790236.db2.gz BVEKRZUYAYEMHN-OAHLLOKOSA-N 2 1 370.513 3.010 20 0 FGADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000754315218 722934429 /nfs/dbraw/zinc/93/44/29/722934429.db2.gz ODJAUIRIWVWGHV-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000754374690 722936187 /nfs/dbraw/zinc/93/61/87/722936187.db2.gz IDOSVVSTRHJPCL-OALUTQOASA-N 2 1 352.567 3.014 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000760905351 723103495 /nfs/dbraw/zinc/10/34/95/723103495.db2.gz AYSVEZYYVUFZTK-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000760905351 723103501 /nfs/dbraw/zinc/10/35/01/723103501.db2.gz AYSVEZYYVUFZTK-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000760905351 723103505 /nfs/dbraw/zinc/10/35/05/723103505.db2.gz AYSVEZYYVUFZTK-KSZLIROESA-N 2 1 353.551 3.486 20 0 FGADMP COCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC000792925296 723383177 /nfs/dbraw/zinc/38/31/77/723383177.db2.gz JONQSUUFQKNEPW-WMLDXEAASA-N 2 1 361.313 3.117 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cccnc1Cl ZINC000764467391 723415721 /nfs/dbraw/zinc/41/57/21/723415721.db2.gz VVRROKVULSBNJF-GDBMZVCRSA-N 2 1 364.946 3.436 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000764747357 723442048 /nfs/dbraw/zinc/44/20/48/723442048.db2.gz HJWIQEONDUBUMR-ZYSHUDEJSA-N 2 1 354.922 3.100 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024679 723470967 /nfs/dbraw/zinc/47/09/67/723470967.db2.gz GYSGTXAORAWBNR-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024679 723470970 /nfs/dbraw/zinc/47/09/70/723470970.db2.gz GYSGTXAORAWBNR-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024679 723470973 /nfs/dbraw/zinc/47/09/73/723470973.db2.gz GYSGTXAORAWBNR-YLJYHZDGSA-N 2 1 351.535 3.194 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102528 723563118 /nfs/dbraw/zinc/56/31/18/723563118.db2.gz URXVTQAOUMFKCM-KZNAEPCWSA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102528 723563120 /nfs/dbraw/zinc/56/31/20/723563120.db2.gz URXVTQAOUMFKCM-KZNAEPCWSA-N 2 1 351.535 3.192 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H]2[C@H](CCN2C(=O)OC(C)(C)C)C1 ZINC000795102528 723563122 /nfs/dbraw/zinc/56/31/22/723563122.db2.gz URXVTQAOUMFKCM-KZNAEPCWSA-N 2 1 351.535 3.192 20 0 FGADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(C3CCCCC3)cs2)C1 ZINC000766708846 723588303 /nfs/dbraw/zinc/58/83/03/723588303.db2.gz IHWAWFJZJBCGOR-INIZCTEOSA-N 2 1 366.531 3.298 20 0 FGADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2nc(C3CCCCC3)cs2)C1 ZINC000766708846 723588304 /nfs/dbraw/zinc/58/83/04/723588304.db2.gz IHWAWFJZJBCGOR-INIZCTEOSA-N 2 1 366.531 3.298 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000767426103 723618853 /nfs/dbraw/zinc/61/88/53/723618853.db2.gz HYJDSOZZQWJYRK-UHFFFAOYSA-N 2 1 350.507 3.208 20 0 FGADMP CC(C)N(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C(=O)OC(C)(C)C ZINC000796766825 723654123 /nfs/dbraw/zinc/65/41/23/723654123.db2.gz YDOCGLQYFKOSSX-RCCFBDPRSA-N 2 1 353.551 3.484 20 0 FGADMP CC[N@H+](CCC1CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1)CC1CC1 ZINC000770684422 723719118 /nfs/dbraw/zinc/71/91/18/723719118.db2.gz FPHYFZVMVIZPLR-UHFFFAOYSA-N 2 1 367.559 3.252 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CN2C(=O)SC(C)(C)C2=O)CC1)CC1CC1 ZINC000770684422 723719119 /nfs/dbraw/zinc/71/91/19/723719119.db2.gz FPHYFZVMVIZPLR-UHFFFAOYSA-N 2 1 367.559 3.252 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635350 723912460 /nfs/dbraw/zinc/91/24/60/723912460.db2.gz CYFIIDWSVHSFAT-HACGYAERSA-N 2 1 373.310 3.426 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635350 723912458 /nfs/dbraw/zinc/91/24/58/723912458.db2.gz CYFIIDWSVHSFAT-HACGYAERSA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635350 723912462 /nfs/dbraw/zinc/91/24/62/723912462.db2.gz CYFIIDWSVHSFAT-HACGYAERSA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@H]1C ZINC000774635350 723912465 /nfs/dbraw/zinc/91/24/65/723912465.db2.gz CYFIIDWSVHSFAT-HACGYAERSA-N 2 1 373.310 3.426 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000799028660 723983162 /nfs/dbraw/zinc/98/31/62/723983162.db2.gz AFBIGXAXQUBGFT-SFHVURJKSA-N 2 1 363.933 3.277 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCCC2(CC[NH+](C)CC2)C1)c1cccc(Cl)c1 ZINC000799028645 723983316 /nfs/dbraw/zinc/98/33/16/723983316.db2.gz AFBIGXAXQUBGFT-GOSISDBHSA-N 2 1 363.933 3.277 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C1 ZINC000775625239 724011592 /nfs/dbraw/zinc/01/15/92/724011592.db2.gz DSNYABLAGGWSIQ-IMJJTQAJSA-N 2 1 357.445 3.174 20 0 FGADMP Clc1ccc2c(n1)CC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000806128841 725116827 /nfs/dbraw/zinc/11/68/27/725116827.db2.gz XZZNRQCXHLZBJG-GOSISDBHSA-N 2 1 357.885 3.344 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000808726321 725214959 /nfs/dbraw/zinc/21/49/59/725214959.db2.gz YEENGUVCRISIQS-TVFCKZIOSA-N 2 1 353.551 3.390 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809752450 725264931 /nfs/dbraw/zinc/26/49/31/725264931.db2.gz CLRRIDSQKHXHII-LJQANCHMSA-N 2 1 350.507 3.161 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000809752450 725264933 /nfs/dbraw/zinc/26/49/33/725264933.db2.gz CLRRIDSQKHXHII-LJQANCHMSA-N 2 1 350.507 3.161 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000810115593 725289737 /nfs/dbraw/zinc/28/97/37/725289737.db2.gz LCANAGMLYKYQDB-APWZRJJASA-N 2 1 369.550 3.460 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC000810146488 725292723 /nfs/dbraw/zinc/29/27/23/725292723.db2.gz RMWZFAAIGRZENH-HLIPFELVSA-N 2 1 355.542 3.073 20 0 FGADMP C[C@@H]1C[N@H+]([C@H]2CC[NH+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247732 725299651 /nfs/dbraw/zinc/29/96/51/725299651.db2.gz WKYCIAAFVXMNNO-NHAYFPRASA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247732 725299652 /nfs/dbraw/zinc/29/96/52/725299652.db2.gz WKYCIAAFVXMNNO-NHAYFPRASA-N 2 1 351.535 3.096 20 0 FGADMP C[C@@H]1C[NH+]([C@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000810247732 725299653 /nfs/dbraw/zinc/29/96/53/725299653.db2.gz WKYCIAAFVXMNNO-NHAYFPRASA-N 2 1 351.535 3.096 20 0 FGADMP CC(C)C[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466626 725367380 /nfs/dbraw/zinc/36/73/80/725367380.db2.gz UQRYVPICJCMAPQ-ZWKOTPCHSA-N 2 1 353.551 3.344 20 0 FGADMP CC(C)C[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)OC(C)(C)C ZINC000811466626 725367382 /nfs/dbraw/zinc/36/73/82/725367382.db2.gz UQRYVPICJCMAPQ-ZWKOTPCHSA-N 2 1 353.551 3.344 20 0 FGADMP S=C1SCCN1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000814226039 726948826 /nfs/dbraw/zinc/94/88/26/726948826.db2.gz ZQRRNIFEKBFQAP-UHFFFAOYSA-N 2 1 361.580 3.266 20 0 FGADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CC1 ZINC000814676618 726991963 /nfs/dbraw/zinc/99/19/63/726991963.db2.gz WGDMDNJRGFYXJC-HDICACEKSA-N 2 1 353.551 3.297 20 0 FGADMP Cn1ncc(CNc2ccc([NH+]3CCC(C[NH+](C)C)CC3)cc2)c1Cl ZINC000815131689 727042684 /nfs/dbraw/zinc/04/26/84/727042684.db2.gz GEJWLTREDDXLGB-UHFFFAOYSA-N 2 1 361.921 3.464 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931326 727288382 /nfs/dbraw/zinc/28/83/82/727288382.db2.gz QOSTVNUSEBYNAK-BVGQSLNGSA-N 2 1 363.299 3.031 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc(Br)c2)C1 ZINC000818984347 727334199 /nfs/dbraw/zinc/33/41/99/727334199.db2.gz FIAJAFZFPSWONH-RHSMWYFYSA-N 2 1 355.320 3.193 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000821387743 729082349 /nfs/dbraw/zinc/08/23/49/729082349.db2.gz WTOOGTAYDRFMJY-SQNIBIBYSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000821387743 729082353 /nfs/dbraw/zinc/08/23/53/729082353.db2.gz WTOOGTAYDRFMJY-SQNIBIBYSA-N 2 1 354.560 3.117 20 0 FGADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1C[C@H](O)c1cccs1 ZINC000821387743 729082356 /nfs/dbraw/zinc/08/23/56/729082356.db2.gz WTOOGTAYDRFMJY-SQNIBIBYSA-N 2 1 354.560 3.117 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822451568 729176481 /nfs/dbraw/zinc/17/64/81/729176481.db2.gz MDJDWUDVBKFKID-INMHGKMJSA-N 2 1 350.507 3.205 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000822451566 729176556 /nfs/dbraw/zinc/17/65/56/729176556.db2.gz MDJDWUDVBKFKID-BFYDXBDKSA-N 2 1 350.507 3.205 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659711 729296892 /nfs/dbraw/zinc/29/68/92/729296892.db2.gz OGKJRAHTMNBHCV-TVFCKZIOSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CCN1C(=O)OC(C)(C)C ZINC000823659711 729296895 /nfs/dbraw/zinc/29/68/95/729296895.db2.gz OGKJRAHTMNBHCV-TVFCKZIOSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H](C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000824332274 729330925 /nfs/dbraw/zinc/33/09/25/729330925.db2.gz HSCNBJSUQVVEAQ-KRWDZBQOSA-N 2 1 364.555 3.001 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395603 729336053 /nfs/dbraw/zinc/33/60/53/729336053.db2.gz HUSOKDIKSXYOPS-OWSLCNJRSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395603 729336056 /nfs/dbraw/zinc/33/60/56/729336056.db2.gz HUSOKDIKSXYOPS-OWSLCNJRSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395603 729336059 /nfs/dbraw/zinc/33/60/59/729336059.db2.gz HUSOKDIKSXYOPS-OWSLCNJRSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395603 729336062 /nfs/dbraw/zinc/33/60/62/729336062.db2.gz HUSOKDIKSXYOPS-OWSLCNJRSA-N 2 1 353.551 3.294 20 0 FGADMP O[C@@H](C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919917 729365051 /nfs/dbraw/zinc/36/50/51/729365051.db2.gz ARJUZEPKUKXVBN-WMZOPIPTSA-N 2 1 354.479 3.417 20 0 FGADMP O[C@@H](C[C@@H]1CCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000824919917 729365052 /nfs/dbraw/zinc/36/50/52/729365052.db2.gz ARJUZEPKUKXVBN-WMZOPIPTSA-N 2 1 354.479 3.417 20 0 FGADMP CN(C(=O)/C(F)=C\C1CCCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000826948126 729419798 /nfs/dbraw/zinc/41/97/98/729419798.db2.gz ZSXAXIDRMKRFHL-XWALVKJWSA-N 2 1 351.510 3.047 20 0 FGADMP CN(C(=O)/C(F)=C\C1CCCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000826948126 729419800 /nfs/dbraw/zinc/41/98/00/729419800.db2.gz ZSXAXIDRMKRFHL-XWALVKJWSA-N 2 1 351.510 3.047 20 0 FGADMP CN(C(=O)/C(F)=C/C1CCCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000826948125 729419829 /nfs/dbraw/zinc/41/98/29/729419829.db2.gz ZSXAXIDRMKRFHL-OWBBTNHHSA-N 2 1 351.510 3.047 20 0 FGADMP CN(C(=O)/C(F)=C/C1CCCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000826948125 729419830 /nfs/dbraw/zinc/41/98/30/729419830.db2.gz ZSXAXIDRMKRFHL-OWBBTNHHSA-N 2 1 351.510 3.047 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000827260203 729427677 /nfs/dbraw/zinc/42/76/77/729427677.db2.gz LBVWTMXQCAYVRJ-MRXNPFEDSA-N 2 1 351.535 3.288 20 0 FGADMP CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000827260203 729427678 /nfs/dbraw/zinc/42/76/78/729427678.db2.gz LBVWTMXQCAYVRJ-MRXNPFEDSA-N 2 1 351.535 3.288 20 0 FGADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834513352 729808749 /nfs/dbraw/zinc/80/87/49/729808749.db2.gz KYBYIXLCGXZHLA-XWTMOSNGSA-N 2 1 351.535 3.381 20 0 FGADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000840810340 730177559 /nfs/dbraw/zinc/17/75/59/730177559.db2.gz RWAWHJQBEIXLAU-FGTMMUONSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022114 730204054 /nfs/dbraw/zinc/20/40/54/730204054.db2.gz KLPNTNJKPZJRCJ-JKIFEVAISA-N 2 1 353.304 3.211 20 0 FGADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)CC[NH2+]1 ZINC000841022114 730204057 /nfs/dbraw/zinc/20/40/57/730204057.db2.gz KLPNTNJKPZJRCJ-JKIFEVAISA-N 2 1 353.304 3.211 20 0 FGADMP Ic1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126434 730588783 /nfs/dbraw/zinc/58/87/83/730588783.db2.gz REXLDUKNALCKDN-ZIAGYGMSSA-N 2 1 370.278 3.113 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364011 730610979 /nfs/dbraw/zinc/61/09/79/730610979.db2.gz KCEPKGVWLWJJAV-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364011 730610982 /nfs/dbraw/zinc/61/09/82/730610982.db2.gz KCEPKGVWLWJJAV-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000850433814 731356916 /nfs/dbraw/zinc/35/69/16/731356916.db2.gz QUXBFCWKHOFMIG-SQNIBIBYSA-N 2 1 356.432 3.479 20 0 FGADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000850433814 731356918 /nfs/dbraw/zinc/35/69/18/731356918.db2.gz QUXBFCWKHOFMIG-SQNIBIBYSA-N 2 1 356.432 3.479 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000850554195 731372491 /nfs/dbraw/zinc/37/24/91/731372491.db2.gz DARCQHDNFUWDIB-CRAIPNDOSA-N 2 1 373.324 3.260 20 0 FGADMP CO[C@@H]1CC[C@@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539595 /nfs/dbraw/zinc/53/95/95/731539595.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 2 1 350.547 3.299 20 0 FGADMP CO[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539597 /nfs/dbraw/zinc/53/95/97/731539597.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 2 1 350.547 3.299 20 0 FGADMP CO[C@@H]1CC[C@@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CC[C@@H](OC)C4)C3)C2)C1 ZINC000852057321 731539599 /nfs/dbraw/zinc/53/95/99/731539599.db2.gz KZSGVPMTURJZGK-FDKIHUSFSA-N 2 1 350.547 3.299 20 0 FGADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1SC(F)F ZINC000855345961 731920460 /nfs/dbraw/zinc/92/04/60/731920460.db2.gz LDOLLAMCEVOZOP-NSHDSACASA-N 2 1 365.515 3.065 20 0 FGADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1SC(F)F ZINC000855345961 731920462 /nfs/dbraw/zinc/92/04/62/731920462.db2.gz LDOLLAMCEVOZOP-NSHDSACASA-N 2 1 365.515 3.065 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCC3)CC1(C)C ZINC000858228232 732194368 /nfs/dbraw/zinc/19/43/68/732194368.db2.gz FHCQHMACKOQHCE-HZPDHXFCSA-N 2 1 351.535 3.381 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000858491471 732220110 /nfs/dbraw/zinc/22/01/10/732220110.db2.gz IRQHZLOKVRSARK-BZSNNMDCSA-N 2 1 353.551 3.486 20 0 FGADMP CCc1ccc(CNC(=O)C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859214554 732291216 /nfs/dbraw/zinc/29/12/16/732291216.db2.gz KCBYEIKVQVRIHS-UHFFFAOYSA-N 2 1 359.539 3.120 20 0 FGADMP CCc1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(C[NH+](C)C)cc2)s1 ZINC000859214554 732291217 /nfs/dbraw/zinc/29/12/17/732291217.db2.gz KCBYEIKVQVRIHS-UHFFFAOYSA-N 2 1 359.539 3.120 20 0 FGADMP C[NH+](CC[Si](C)(C)CC[N@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000859220153 732291328 /nfs/dbraw/zinc/29/13/28/732291328.db2.gz BXCMSJBBNNVNBR-UHFFFAOYSA-N 2 1 370.654 3.412 20 0 FGADMP CCOc1cc(F)cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000865497009 733213569 /nfs/dbraw/zinc/21/35/69/733213569.db2.gz XKPCWOVSEDOWST-UXHICEINSA-N 2 1 350.478 3.082 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1cnc(Cl)c(F)c1 ZINC000865525126 733220138 /nfs/dbraw/zinc/22/01/38/733220138.db2.gz TXIHJMAONKPRHK-KRWDZBQOSA-N 2 1 363.864 3.121 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000870910821 733901355 /nfs/dbraw/zinc/90/13/55/733901355.db2.gz NKLUAOLZXBFGHX-FSZRXZPDSA-N 2 1 367.896 3.106 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872147799 735595170 /nfs/dbraw/zinc/59/51/70/735595170.db2.gz DKUFIGWDJMHYGB-ZWNOBZJWSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C[C@H]1C(F)(F)F ZINC000872147799 735595173 /nfs/dbraw/zinc/59/51/73/735595173.db2.gz DKUFIGWDJMHYGB-ZWNOBZJWSA-N 2 1 356.310 3.153 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151816 735596339 /nfs/dbraw/zinc/59/63/39/735596339.db2.gz XTTCGBLPUYMGJW-YPMHNXCESA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C(F)(F)F ZINC000872151816 735596343 /nfs/dbraw/zinc/59/63/43/735596343.db2.gz XTTCGBLPUYMGJW-YPMHNXCESA-N 2 1 356.310 3.197 20 0 FGADMP FC(F)(F)c1cc(Cl)nc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000873283481 735746237 /nfs/dbraw/zinc/74/62/37/735746237.db2.gz UWFNGJHZAIPCAG-MGPQQGTHSA-N 2 1 363.811 3.001 20 0 FGADMP C[N@@H+](Cc1cc2c(ccnc2Cl)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000877525470 736678313 /nfs/dbraw/zinc/67/83/13/736678313.db2.gz DMQUYRDVTIDUPL-HNNXBMFYSA-N 2 1 362.905 3.082 20 0 FGADMP CCN(C(C)=O)c1nc(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cs1 ZINC000877767848 736717040 /nfs/dbraw/zinc/71/70/40/736717040.db2.gz XENVLMLXHSMPHG-UHFFFAOYSA-N 2 1 366.575 3.316 20 0 FGADMP CC(C)C[N@H+](Cc1csc(-c2cnn(C)c2)n1)CC1CC[NH+](C)CC1 ZINC000877767490 736717386 /nfs/dbraw/zinc/71/73/86/736717386.db2.gz KTTARFYBGYDFCK-UHFFFAOYSA-N 2 1 361.559 3.343 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017772 736758627 /nfs/dbraw/zinc/75/86/27/736758627.db2.gz NPWXXNIZKUIKPT-PMACEKPBSA-N 2 1 350.547 3.159 20 0 FGADMP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000884226549 737645649 /nfs/dbraw/zinc/64/56/49/737645649.db2.gz WGHBRFDJRBJJMI-XIRDDKMYSA-N 2 1 351.560 3.257 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C(=O)OCC)[C@H](C(F)(F)F)C2)C1 ZINC000892668123 740029343 /nfs/dbraw/zinc/02/93/43/740029343.db2.gz HFTBRSACZNTBAL-LVQVYYBASA-N 2 1 364.452 3.218 20 0 FGADMP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000893209590 742124723 /nfs/dbraw/zinc/12/47/23/742124723.db2.gz LIBLQPIGLKCNRT-UCQLUEMLSA-N 2 1 351.897 3.439 20 0 FGADMP C[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CCN1c1cc[nH+]cc1 ZINC000895558527 742426238 /nfs/dbraw/zinc/42/62/38/742426238.db2.gz XKUGCDZUCIELMU-HNNXBMFYSA-N 2 1 351.479 3.311 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CCN1c1cc[nH+]cc1 ZINC000895558527 742426241 /nfs/dbraw/zinc/42/62/41/742426241.db2.gz XKUGCDZUCIELMU-HNNXBMFYSA-N 2 1 351.479 3.311 20 0 FGADMP C[C@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@@H]1C[N@H+](C)CCO1 ZINC000899875874 743023110 /nfs/dbraw/zinc/02/31/10/743023110.db2.gz ZDDFYHFEAXKGSB-ZBEGNZNMSA-N 2 1 355.360 3.264 20 0 FGADMP C[C@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@@H]1C[N@@H+](C)CCO1 ZINC000899875874 743023119 /nfs/dbraw/zinc/02/31/19/743023119.db2.gz ZDDFYHFEAXKGSB-ZBEGNZNMSA-N 2 1 355.360 3.264 20 0 FGADMP C[C@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@H]1C[N@H+](C)CCO1 ZINC000899875873 743023190 /nfs/dbraw/zinc/02/31/90/743023190.db2.gz ZDDFYHFEAXKGSB-MEDUHNTESA-N 2 1 355.360 3.264 20 0 FGADMP C[C@H](Nc1cc[nH+]c2cc(OC(F)(F)F)ccc12)[C@H]1C[N@@H+](C)CCO1 ZINC000899875873 743023198 /nfs/dbraw/zinc/02/31/98/743023198.db2.gz ZDDFYHFEAXKGSB-MEDUHNTESA-N 2 1 355.360 3.264 20 0 FGADMP CC(C)C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000902863421 743781822 /nfs/dbraw/zinc/78/18/22/743781822.db2.gz YSYWXFOXDXRFSD-HXUWFJFHSA-N 2 1 352.563 3.452 20 0 FGADMP O[C@H](C[C@@H]1CCCCC[N@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1cccs1 ZINC000903734473 743880190 /nfs/dbraw/zinc/88/01/90/743880190.db2.gz RLSMFQVUXIQGBG-GNBUJSLZSA-N 2 1 364.555 3.185 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764293 743881306 /nfs/dbraw/zinc/88/13/06/743881306.db2.gz QWMIVAQHFFJACY-PMUMKWKESA-N 2 1 356.869 3.076 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCOc3ccc(F)c(Cl)c3)C2)C1 ZINC000903764292 743881532 /nfs/dbraw/zinc/88/15/32/743881532.db2.gz QWMIVAQHFFJACY-LBTNJELSSA-N 2 1 356.869 3.076 20 0 FGADMP C[C@H](C[NH2+][C@H]1C[NH2+]CC2(CCOCC2)C1)c1cccc(Br)c1 ZINC000903972653 743907138 /nfs/dbraw/zinc/90/71/38/743907138.db2.gz JBHLAMVDMZWOMO-RHSMWYFYSA-N 2 1 367.331 3.301 20 0 FGADMP C[C@]1(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CCC[NH2+]C1 ZINC000904341872 743948460 /nfs/dbraw/zinc/94/84/60/743948460.db2.gz YCTKGIRADLJHPH-IBGZPJMESA-N 2 1 354.416 3.388 20 0 FGADMP C[C@@](O)(C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C(F)(F)F ZINC000905709353 744045806 /nfs/dbraw/zinc/04/58/06/744045806.db2.gz LNSVMNNEOVIHIJ-VSZNYVQBSA-N 2 1 356.432 3.190 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688962 758770788 /nfs/dbraw/zinc/77/07/88/758770788.db2.gz MVLBPIYLXOKYRU-KURKYZTESA-N 2 1 353.551 3.390 20 0 FGADMP CCc1[nH]nc(Cl)c1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000921732851 758780977 /nfs/dbraw/zinc/78/09/77/758780977.db2.gz WJYQLCLPZJNTBL-UHFFFAOYSA-N 2 1 365.909 3.232 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386061 758909457 /nfs/dbraw/zinc/90/94/57/758909457.db2.gz DZKZXSQLQFMUKN-XOUADPBQSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1nc(C(C)(C)C)cs1)C2 ZINC000922389311 758910479 /nfs/dbraw/zinc/91/04/79/758910479.db2.gz IPXJNQSUEAXXNG-XNWVLMOPSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(O)c3Cl)C2)[C@H]1C(C)C ZINC000922392792 758912371 /nfs/dbraw/zinc/91/23/71/758912371.db2.gz HFZITNCXAWMMDX-OPNNQBFTSA-N 2 1 352.906 3.005 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(C)cnc3Cl)C2)[C@H]1C(C)C ZINC000922395585 758913660 /nfs/dbraw/zinc/91/36/60/758913660.db2.gz UASPZCAGIAUSMY-YWTNHNAXSA-N 2 1 351.922 3.003 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(Cl)c3Cl)C2)[C@@H]1C(C)C ZINC000922395633 758913725 /nfs/dbraw/zinc/91/37/25/758913725.db2.gz XUCSLZOVPGLCDX-DEICHXMPSA-N 2 1 372.340 3.348 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)C1 ZINC000923482393 759129429 /nfs/dbraw/zinc/12/94/29/759129429.db2.gz FCKPBXCOIOQNMU-LBPRGKRZSA-N 2 1 350.260 3.275 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000923488559 759130934 /nfs/dbraw/zinc/13/09/34/759130934.db2.gz CEXJQFOSJHDXQY-GUYCJALGSA-N 2 1 370.324 3.328 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c(OC)c1 ZINC000923501988 759133704 /nfs/dbraw/zinc/13/37/04/759133704.db2.gz VDDTWMRACXXBFG-KGLIPLIRSA-N 2 1 361.511 3.244 20 0 FGADMP C[C@H]1C[N@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510914 759136795 /nfs/dbraw/zinc/13/67/95/759136795.db2.gz XZMJLHOPPXEJAP-WDEREUQCSA-N 2 1 363.811 3.214 20 0 FGADMP C[C@H]1C[N@@H+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923510914 759136799 /nfs/dbraw/zinc/13/67/99/759136799.db2.gz XZMJLHOPPXEJAP-WDEREUQCSA-N 2 1 363.811 3.214 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000925078384 759443948 /nfs/dbraw/zinc/44/39/48/759443948.db2.gz LNEMEGFKNNMYOV-PZJWPPBQSA-N 2 1 353.595 3.224 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000925139243 759454149 /nfs/dbraw/zinc/45/41/49/759454149.db2.gz FQFZJAIUQXYPQW-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]1C[C@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000925139243 759454151 /nfs/dbraw/zinc/45/41/51/759454151.db2.gz FQFZJAIUQXYPQW-JKSUJKDBSA-N 2 1 351.535 3.238 20 0 FGADMP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1Cl ZINC000925651206 759517183 /nfs/dbraw/zinc/51/71/83/759517183.db2.gz YLYGVQDJSJEQNV-NVXWUHKLSA-N 2 1 370.946 3.001 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000925776881 759534159 /nfs/dbraw/zinc/53/41/59/759534159.db2.gz NHWMIIQXYIIMNA-VIQWUECVSA-N 2 1 351.485 3.264 20 0 FGADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CNCCC2(F)F)CC1 ZINC000925776881 759534167 /nfs/dbraw/zinc/53/41/67/759534167.db2.gz NHWMIIQXYIIMNA-VIQWUECVSA-N 2 1 351.485 3.264 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CNCCC2(F)F)CC1 ZINC000925776881 759534177 /nfs/dbraw/zinc/53/41/77/759534177.db2.gz NHWMIIQXYIIMNA-VIQWUECVSA-N 2 1 351.485 3.264 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000927005816 759875289 /nfs/dbraw/zinc/87/52/89/759875289.db2.gz PJACHRNKWIHOLX-WOCWXWTJSA-N 2 1 351.535 3.238 20 0 FGADMP CCCC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034113 760761141 /nfs/dbraw/zinc/76/11/41/760761141.db2.gz ODEAVZATIQHJPJ-INIZCTEOSA-N 2 1 358.592 3.223 20 0 FGADMP C[C@@H](OC[C@@H](O)C[NH+]1CCC(C)([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000931348478 760835055 /nfs/dbraw/zinc/83/50/55/760835055.db2.gz HEKKMYPNSAHYAI-QAPCUYQASA-N 2 1 354.922 3.195 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC000969691837 762860877 /nfs/dbraw/zinc/86/08/77/762860877.db2.gz YEJWMZZVPHNQPB-IVMMDQJWSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2C[NH+](Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000969691837 762860885 /nfs/dbraw/zinc/86/08/85/762860885.db2.gz YEJWMZZVPHNQPB-IVMMDQJWSA-N 2 1 369.962 3.068 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[NH+](Cc3cc(C)sc3C)CC2)CC[N@H+]1C ZINC000981199741 763464387 /nfs/dbraw/zinc/46/43/87/763464387.db2.gz ADYBBBXMFORRGZ-RBUKOAKNSA-N 2 1 363.571 3.130 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@H+](Cc3cc(C)sc3C)CC2)CC[NH+]1C ZINC000981199741 763464397 /nfs/dbraw/zinc/46/43/97/763464397.db2.gz ADYBBBXMFORRGZ-RBUKOAKNSA-N 2 1 363.571 3.130 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[N@@H+](Cc3cc(C)sc3C)CC2)CC[NH+]1C ZINC000981199741 763464401 /nfs/dbraw/zinc/46/44/01/763464401.db2.gz ADYBBBXMFORRGZ-RBUKOAKNSA-N 2 1 363.571 3.130 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3sccc3Cl)CC2)CC[N@H+]1C ZINC000996604134 765021566 /nfs/dbraw/zinc/02/15/66/765021566.db2.gz RLPUSNXGOXHHEC-GOEBONIOSA-N 2 1 369.962 3.212 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3sccc3Cl)C2)CC[N@H+]1C ZINC000998794867 765123821 /nfs/dbraw/zinc/12/38/21/765123821.db2.gz RPWLNMWGLNCNCL-VKJZCYHPSA-N 2 1 369.962 3.211 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001007370153 765589621 /nfs/dbraw/zinc/58/96/21/765589621.db2.gz WNQYQCYNELILOJ-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001007370153 765589625 /nfs/dbraw/zinc/58/96/25/765589625.db2.gz WNQYQCYNELILOJ-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001007370153 765589628 /nfs/dbraw/zinc/58/96/28/765589628.db2.gz WNQYQCYNELILOJ-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](Cc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC001014509662 765788041 /nfs/dbraw/zinc/78/80/41/765788041.db2.gz SOOFUCYKNRNDNL-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@H+](Cc3c(C)cccc3Cl)C2)CC[NH+]1C ZINC001014509662 765788048 /nfs/dbraw/zinc/78/80/48/765788048.db2.gz SOOFUCYKNRNDNL-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[N@@H+](Cc3c(C)cccc3Cl)C2)CC[NH+]1C ZINC001014509662 765788052 /nfs/dbraw/zinc/78/80/52/765788052.db2.gz SOOFUCYKNRNDNL-TXPKVOOTSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@@H+]1C ZINC001027416758 766093510 /nfs/dbraw/zinc/09/35/10/766093510.db2.gz LMRGKZJPJZGONN-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)Cc3sccc3Cl)C2)CC[N@H+]1C ZINC001027416758 766093516 /nfs/dbraw/zinc/09/35/16/766093516.db2.gz LMRGKZJPJZGONN-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC001027416758 766093520 /nfs/dbraw/zinc/09/35/20/766093520.db2.gz LMRGKZJPJZGONN-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([N@@H+](C)Cc3sccc3Cl)C2)CC[NH+]1C ZINC001027416758 766093527 /nfs/dbraw/zinc/09/35/27/766093527.db2.gz LMRGKZJPJZGONN-RBSFLKMASA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001029741115 766150986 /nfs/dbraw/zinc/15/09/86/766150986.db2.gz JJKUNJMAWCCBTF-IIAWOOMASA-N 2 1 369.962 3.022 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[N@H+](C)Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001029741115 766150992 /nfs/dbraw/zinc/15/09/92/766150992.db2.gz JJKUNJMAWCCBTF-IIAWOOMASA-N 2 1 369.962 3.022 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001034214969 766232959 /nfs/dbraw/zinc/23/29/59/766232959.db2.gz SMULSQYBCDXBNB-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001034214969 766232963 /nfs/dbraw/zinc/23/29/63/766232963.db2.gz SMULSQYBCDXBNB-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001034214969 766232968 /nfs/dbraw/zinc/23/29/68/766232968.db2.gz SMULSQYBCDXBNB-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@@H+]1C ZINC001034213825 766233204 /nfs/dbraw/zinc/23/32/04/766233204.db2.gz BUBIIKUIWMYCIP-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(Cl)s3)C2)CC[N@H+]1C ZINC001034213825 766233213 /nfs/dbraw/zinc/23/32/13/766233213.db2.gz BUBIIKUIWMYCIP-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001034213825 766233221 /nfs/dbraw/zinc/23/32/21/766233221.db2.gz BUBIIKUIWMYCIP-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[N@@H+](Cc3ccc(Cl)s3)C2)CC[NH+]1C ZINC001034213825 766233228 /nfs/dbraw/zinc/23/32/28/766233228.db2.gz BUBIIKUIWMYCIP-IIAWOOMASA-N 2 1 369.962 3.212 20 0 FGADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000071891465 221385546 /nfs/dbraw/zinc/38/55/46/221385546.db2.gz VFUZAVUNBDUCBH-UHFFFAOYSA-N 2 1 371.319 3.288 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@@H]3C[NH+]3CCCCC3)C2)cc1 ZINC000278565912 257374802 /nfs/dbraw/zinc/37/48/02/257374802.db2.gz IUSSTQNWTAPHLS-PKTZIBPZSA-N 2 1 371.569 3.228 20 0 FGADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)cn2)cn1 ZINC000282079689 257376020 /nfs/dbraw/zinc/37/60/20/257376020.db2.gz NWTHQARQQNCQPJ-SFHVURJKSA-N 2 1 362.481 3.180 20 0 FGADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567898800 505570639 /nfs/dbraw/zinc/57/06/39/505570639.db2.gz BPCCRYQEKQEUOI-KGLIPLIRSA-N 2 1 366.431 3.414 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](c2nccn2C)C1)c1cc2ccccc2o1 ZINC000579608436 505586033 /nfs/dbraw/zinc/58/60/33/505586033.db2.gz TVJQOYADZLODPL-YQQAZPJKSA-N 2 1 366.465 3.222 20 0 FGADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1)c1cc2ccccc2o1 ZINC000579608436 505586038 /nfs/dbraw/zinc/58/60/38/505586038.db2.gz TVJQOYADZLODPL-YQQAZPJKSA-N 2 1 366.465 3.222 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000567977263 505587586 /nfs/dbraw/zinc/58/75/86/505587586.db2.gz LEQAPFDGLCLHIB-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567977263 505587591 /nfs/dbraw/zinc/58/75/91/505587591.db2.gz LEQAPFDGLCLHIB-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567977263 505587595 /nfs/dbraw/zinc/58/75/95/505587595.db2.gz LEQAPFDGLCLHIB-TZIWHRDSSA-N 2 1 374.573 3.270 20 0 FGADMP CC[N@H+](CCC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1)CC(C)C ZINC000579654668 505594711 /nfs/dbraw/zinc/59/47/11/505594711.db2.gz GGCNFZHDHDAYKL-HXUWFJFHSA-N 2 1 374.573 3.361 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCn3c(C)[nH+]cc3C2)CC1)CC(C)C ZINC000579654668 505594715 /nfs/dbraw/zinc/59/47/15/505594715.db2.gz GGCNFZHDHDAYKL-HXUWFJFHSA-N 2 1 374.573 3.361 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000568009123 505595709 /nfs/dbraw/zinc/59/57/09/505595709.db2.gz WCISHFPMFLLOTA-QFIPXVFZSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)N2CCOCC2)cc1 ZINC000579699580 505603995 /nfs/dbraw/zinc/60/39/95/505603995.db2.gz VWLDJRUMHCSIJZ-BDTNDASRSA-N 2 1 351.494 3.103 20 0 FGADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000579732983 505610525 /nfs/dbraw/zinc/61/05/25/505610525.db2.gz FZRKORZDMSPENP-FCHUYYIVSA-N 2 1 369.553 3.217 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCOCC2)c2ccccc21 ZINC000579822427 505627306 /nfs/dbraw/zinc/62/73/06/505627306.db2.gz MECFQGSRPIQNFW-QHAWAJNXSA-N 2 1 371.912 3.448 20 0 FGADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000573945443 505657748 /nfs/dbraw/zinc/65/77/48/505657748.db2.gz XCCUTAJMMRMBFV-GHTZIAJQSA-N 2 1 373.541 3.141 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000577115386 505667622 /nfs/dbraw/zinc/66/76/22/505667622.db2.gz PXNUADLYIXFGPH-AZUAARDMSA-N 2 1 360.546 3.243 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000574009422 505672745 /nfs/dbraw/zinc/67/27/45/505672745.db2.gz IIDNPBPUOOJAHD-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000574009422 505672747 /nfs/dbraw/zinc/67/27/47/505672747.db2.gz IIDNPBPUOOJAHD-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000574009422 505672749 /nfs/dbraw/zinc/67/27/49/505672749.db2.gz IIDNPBPUOOJAHD-CTNGQTDRSA-N 2 1 374.573 3.270 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835838 493784182 /nfs/dbraw/zinc/78/41/82/493784182.db2.gz FTCWWLKEOYWXBC-WOJBJXKFSA-N 2 1 360.542 3.358 20 0 FGADMP CC(C)c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835838 493784185 /nfs/dbraw/zinc/78/41/85/493784185.db2.gz FTCWWLKEOYWXBC-WOJBJXKFSA-N 2 1 360.542 3.358 20 0 FGADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)CC(=O)NC1CC[NH+](CC)CC1 ZINC000075885786 493790228 /nfs/dbraw/zinc/79/02/28/493790228.db2.gz BXVTXVHBINLGTJ-NRFANRHFSA-N 2 1 359.558 3.239 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000568388228 505682606 /nfs/dbraw/zinc/68/26/06/505682606.db2.gz LAWDBCSEIKTEET-CAUGKJMWSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]C1 ZINC000568388228 505682607 /nfs/dbraw/zinc/68/26/07/505682607.db2.gz LAWDBCSEIKTEET-CAUGKJMWSA-N 2 1 363.933 3.227 20 0 FGADMP COC(=O)c1cccc(C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109783 493824857 /nfs/dbraw/zinc/82/48/57/493824857.db2.gz DDRXGLLYMOJICL-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1cccc(C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109783 493824858 /nfs/dbraw/zinc/82/48/58/493824858.db2.gz DDRXGLLYMOJICL-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000076109783 493824859 /nfs/dbraw/zinc/82/48/59/493824859.db2.gz DDRXGLLYMOJICL-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP COC(=O)c1cccc(C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000076109783 493824860 /nfs/dbraw/zinc/82/48/60/493824860.db2.gz DDRXGLLYMOJICL-FQEVSTJZSA-N 2 1 352.478 3.427 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]Cc2cccc(F)c2F)[C@@H](c2ccccc2)C1 ZINC000058179029 493829994 /nfs/dbraw/zinc/82/99/94/493829994.db2.gz MVZRBIUNPGGFQY-HXUWFJFHSA-N 2 1 359.464 3.433 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(F)ccc1C ZINC000076330874 493866449 /nfs/dbraw/zinc/86/64/49/493866449.db2.gz JGIIUSLXFKQWOH-QGZVFWFLSA-N 2 1 350.482 3.014 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000081484364 493901213 /nfs/dbraw/zinc/90/12/13/493901213.db2.gz UPVXEWITZAGBEM-IBGZPJMESA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H](CNC(=O)NC1CC[NH+](CC2CCCC2)CC1)[N@H+]1CCCC[C@H]1C ZINC000063407715 494051732 /nfs/dbraw/zinc/05/17/32/494051732.db2.gz SGKVCCIUQJIBEK-QZTJIDSGSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C ZINC000077437885 494083123 /nfs/dbraw/zinc/08/31/23/494083123.db2.gz YPLQWTIXGQZBPC-UHFFFAOYSA-N 2 1 364.559 3.087 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1ccccc1C[NH+]1CCSCC1)C(C)C ZINC000077437885 494083127 /nfs/dbraw/zinc/08/31/27/494083127.db2.gz YPLQWTIXGQZBPC-UHFFFAOYSA-N 2 1 364.559 3.087 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000577280662 505699479 /nfs/dbraw/zinc/69/94/79/505699479.db2.gz CPUDEEUIBGGVGA-NZSAHSFTSA-N 2 1 369.509 3.274 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000085405944 494121888 /nfs/dbraw/zinc/12/18/88/494121888.db2.gz BBGRFBMUOVIIMV-LQWHRVPQSA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086339119 494149530 /nfs/dbraw/zinc/14/95/30/494149530.db2.gz KVEYAWJKFZMPJL-MRXNPFEDSA-N 2 1 357.502 3.273 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000065522186 494209121 /nfs/dbraw/zinc/20/91/21/494209121.db2.gz QSNDCBHNSSJSAD-NZSAHSFTSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC[C@H](c2ccco2)[NH+](C)C)C1 ZINC000065522186 494209126 /nfs/dbraw/zinc/20/91/26/494209126.db2.gz QSNDCBHNSSJSAD-NZSAHSFTSA-N 2 1 370.497 3.017 20 0 FGADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000088719904 494256513 /nfs/dbraw/zinc/25/65/13/494256513.db2.gz BUBLZNLISIIYED-UNMCSNQZSA-N 2 1 371.569 3.447 20 0 FGADMP CN(C)C(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000072895377 494276778 /nfs/dbraw/zinc/27/67/78/494276778.db2.gz FDDSBZCSDBRQHC-OAQYLSRUSA-N 2 1 351.494 3.202 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000066187773 494285831 /nfs/dbraw/zinc/28/58/31/494285831.db2.gz QHJRFBDJKPOTND-AZUAARDMSA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)c(Cl)c1 ZINC000568512189 505712875 /nfs/dbraw/zinc/71/28/75/505712875.db2.gz OEJJBUNDUVWMCU-YUELXQCFSA-N 2 1 370.324 3.102 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000089549307 494324227 /nfs/dbraw/zinc/32/42/27/494324227.db2.gz QJVKHPSZVVVPBG-YKCBXCCJSA-N 2 1 365.949 3.032 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000571371566 505716805 /nfs/dbraw/zinc/71/68/05/505716805.db2.gz QRIUKMBNENLVJD-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000571371566 505716811 /nfs/dbraw/zinc/71/68/11/505716811.db2.gz QRIUKMBNENLVJD-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000571371566 505716814 /nfs/dbraw/zinc/71/68/14/505716814.db2.gz QRIUKMBNENLVJD-FPOVZHCZSA-N 2 1 374.573 3.317 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000073550759 494388485 /nfs/dbraw/zinc/38/84/85/494388485.db2.gz KKOCWUKXRVLMBO-NRFANRHFSA-N 2 1 372.557 3.298 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000079267292 494427757 /nfs/dbraw/zinc/42/77/57/494427757.db2.gz XYNJSJVZUYHUOT-WMZOPIPTSA-N 2 1 366.575 3.305 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2Br)CC1 ZINC000090400478 494462539 /nfs/dbraw/zinc/46/25/39/494462539.db2.gz FLGDNJHMKBXWKH-CQSZACIVSA-N 2 1 355.320 3.081 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NCCCC[NH+]2CCCC[C@H]2C)CC1 ZINC000079613071 494493443 /nfs/dbraw/zinc/49/34/43/494493443.db2.gz XOGMPCMBFQWLAH-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000079613071 494493446 /nfs/dbraw/zinc/49/34/46/494493446.db2.gz XOGMPCMBFQWLAH-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000079613071 494493450 /nfs/dbraw/zinc/49/34/50/494493450.db2.gz XOGMPCMBFQWLAH-LJQANCHMSA-N 2 1 366.594 3.403 20 0 FGADMP O[C@@H]1C[C@H](CNC2CC[NH+](C3CCCCC3)CC2)[N@@H+](Cc2ccccc2)C1 ZINC000090914208 494502955 /nfs/dbraw/zinc/50/29/55/494502955.db2.gz BHZVYALTZFRRTD-DHIUTWEWSA-N 2 1 371.569 3.009 20 0 FGADMP O[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)N(Cc2ccccc2)C1 ZINC000090914208 494502957 /nfs/dbraw/zinc/50/29/57/494502957.db2.gz BHZVYALTZFRRTD-DHIUTWEWSA-N 2 1 371.569 3.009 20 0 FGADMP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000090964947 494506592 /nfs/dbraw/zinc/50/65/92/494506592.db2.gz LNWDUROBYOKIOZ-NRFANRHFSA-N 2 1 366.505 3.295 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000074318581 494517626 /nfs/dbraw/zinc/51/76/26/494517626.db2.gz KEPYIMGIDBQOAZ-HXUWFJFHSA-N 2 1 355.526 3.086 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)NCCC[N@@H+](C)C2CCCCC2)cc1 ZINC000074344728 494522519 /nfs/dbraw/zinc/52/25/19/494522519.db2.gz PESJWFVPDMLAHH-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000067421423 494537817 /nfs/dbraw/zinc/53/78/17/494537817.db2.gz MKIYJPJLRJSSJD-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000067421423 494537822 /nfs/dbraw/zinc/53/78/22/494537822.db2.gz MKIYJPJLRJSSJD-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000067421423 494537823 /nfs/dbraw/zinc/53/78/23/494537823.db2.gz MKIYJPJLRJSSJD-IBGZPJMESA-N 2 1 374.573 3.270 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000568593898 505731358 /nfs/dbraw/zinc/73/13/58/505731358.db2.gz KUCOIIOIXFHMIW-BDTNDASRSA-N 2 1 363.505 3.318 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccnc1 ZINC000091288707 494578306 /nfs/dbraw/zinc/57/83/06/494578306.db2.gz VIMMIBFCAHXZKJ-QFIPXVFZSA-N 2 1 352.526 3.316 20 0 FGADMP NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000568593898 505731361 /nfs/dbraw/zinc/73/13/61/505731361.db2.gz KUCOIIOIXFHMIW-BDTNDASRSA-N 2 1 363.505 3.318 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000121125370 494607584 /nfs/dbraw/zinc/60/75/84/494607584.db2.gz PHGKVFAKOFSCES-HXUWFJFHSA-N 2 1 370.541 3.195 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)[C@H](C)CN1CCOCC1 ZINC000121125370 494607588 /nfs/dbraw/zinc/60/75/88/494607588.db2.gz PHGKVFAKOFSCES-HXUWFJFHSA-N 2 1 370.541 3.195 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000080138791 494609456 /nfs/dbraw/zinc/60/94/56/494609456.db2.gz OPYVYBOUEFQKCA-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080138791 494609459 /nfs/dbraw/zinc/60/94/59/494609459.db2.gz OPYVYBOUEFQKCA-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000080138791 494609462 /nfs/dbraw/zinc/60/94/62/494609462.db2.gz OPYVYBOUEFQKCA-QUCCMNQESA-N 2 1 360.546 3.071 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000080166879 494621432 /nfs/dbraw/zinc/62/14/32/494621432.db2.gz HNGNQYSISDRFTB-GHTZIAJQSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000080166297 494621819 /nfs/dbraw/zinc/62/18/19/494621819.db2.gz UKGPJZURCCXTCV-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000080166297 494621823 /nfs/dbraw/zinc/62/18/23/494621823.db2.gz UKGPJZURCCXTCV-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000080166297 494621829 /nfs/dbraw/zinc/62/18/29/494621829.db2.gz UKGPJZURCCXTCV-CEWLAPEOSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)C[NH+]1CCCCC1 ZINC000057042329 494628270 /nfs/dbraw/zinc/62/82/70/494628270.db2.gz KXYHZDAMDMVNGT-FQEVSTJZSA-N 2 1 372.557 3.026 20 0 FGADMP C[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(-c2ccncc2)cc1 ZINC000571432161 505732775 /nfs/dbraw/zinc/73/27/75/505732775.db2.gz GXOAXPQTJBVPSF-OAHLLOKOSA-N 2 1 362.481 3.185 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000074878973 494639837 /nfs/dbraw/zinc/63/98/37/494639837.db2.gz FFYPNASJFNGVCI-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000074878973 494639845 /nfs/dbraw/zinc/63/98/45/494639845.db2.gz FFYPNASJFNGVCI-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000074878973 494639853 /nfs/dbraw/zinc/63/98/53/494639853.db2.gz FFYPNASJFNGVCI-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c3ccsc32)CC1 ZINC000080248240 494651335 /nfs/dbraw/zinc/65/13/35/494651335.db2.gz JAMRBLHLJFCSCX-UHFFFAOYSA-N 2 1 360.527 3.335 20 0 FGADMP Cc1cc2ncc([C@H](C)[NH2+]C3CCN(c4ccc(C)c[nH+]4)CC3)c(C)n2n1 ZINC000091727824 494659038 /nfs/dbraw/zinc/65/90/38/494659038.db2.gz YJQZRYLNSXDHQY-INIZCTEOSA-N 2 1 364.497 3.369 20 0 FGADMP O=C(c1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1)N1CCCCC1 ZINC000131700483 494702912 /nfs/dbraw/zinc/70/29/12/494702912.db2.gz LYBLICXAGOUAPD-NRFANRHFSA-N 2 1 365.477 3.361 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1 ZINC000092664917 494702939 /nfs/dbraw/zinc/70/29/39/494702939.db2.gz WOXPVJVZMPNYMO-RTBURBONSA-N 2 1 367.541 3.067 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]Cc3ccc(Cl)cc3)c2)C1 ZINC000108420812 494703073 /nfs/dbraw/zinc/70/30/73/494703073.db2.gz OXJGPKJMUTXXHG-IBGZPJMESA-N 2 1 371.912 3.327 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[NH+](C)C1 ZINC000108549574 494736331 /nfs/dbraw/zinc/73/63/31/494736331.db2.gz CHUWHZFMXMZTSX-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108549574 494736335 /nfs/dbraw/zinc/73/63/35/494736335.db2.gz CHUWHZFMXMZTSX-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108549574 494736345 /nfs/dbraw/zinc/73/63/45/494736345.db2.gz CHUWHZFMXMZTSX-MOPGFXCFSA-N 2 1 372.557 3.202 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[N@@H+](C)CC3)c2c1C ZINC000068045520 494740549 /nfs/dbraw/zinc/74/05/49/494740549.db2.gz MMKSAXJTGGUQPW-UHFFFAOYSA-N 2 1 359.543 3.046 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[N@H+](C)CC3)c2c1C ZINC000068045520 494740556 /nfs/dbraw/zinc/74/05/56/494740556.db2.gz MMKSAXJTGGUQPW-UHFFFAOYSA-N 2 1 359.543 3.046 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116422221 494782062 /nfs/dbraw/zinc/78/20/62/494782062.db2.gz GKQDXGJBNNMIHC-ROUUACIJSA-N 2 1 354.583 3.307 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000577508201 505741877 /nfs/dbraw/zinc/74/18/77/505741877.db2.gz DIGBVLOZGCENBV-LJQANCHMSA-N 2 1 372.557 3.341 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H](n2cccn2)C1)C1CC[NH+](C)CC1 ZINC000092967838 494796877 /nfs/dbraw/zinc/79/68/77/494796877.db2.gz SJJCRJFEFICODM-NRFANRHFSA-N 2 1 367.541 3.251 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+]Cc1ccc(C[NH+]3CCN(C)CC3)cc1)CCC2 ZINC000126724705 494827107 /nfs/dbraw/zinc/82/71/07/494827107.db2.gz UTUNYAZUGVJDMH-IBGZPJMESA-N 2 1 370.566 3.366 20 0 FGADMP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000126732642 494827976 /nfs/dbraw/zinc/82/79/76/494827976.db2.gz UYDXSVUIAFBCHF-IFMALSPDSA-N 2 1 367.537 3.371 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000093132769 494831333 /nfs/dbraw/zinc/83/13/33/494831333.db2.gz YEMMRKFMXQFYBL-FQEVSTJZSA-N 2 1 357.542 3.220 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000126877602 494854418 /nfs/dbraw/zinc/85/44/18/494854418.db2.gz BNYMPYKKRHRYSD-DLBZAZTESA-N 2 1 351.560 3.197 20 0 FGADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000126877602 494854424 /nfs/dbraw/zinc/85/44/24/494854424.db2.gz BNYMPYKKRHRYSD-DLBZAZTESA-N 2 1 351.560 3.197 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000568660863 505747251 /nfs/dbraw/zinc/74/72/51/505747251.db2.gz AGNFGTJHPRIFIP-GOSISDBHSA-N 2 1 351.922 3.323 20 0 FGADMP Cc1cccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000093612802 494903723 /nfs/dbraw/zinc/90/37/23/494903723.db2.gz FRURYVNQVIRLPE-NRFANRHFSA-N 2 1 365.525 3.182 20 0 FGADMP Cc1cccc([C@@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000093612802 494903728 /nfs/dbraw/zinc/90/37/28/494903728.db2.gz FRURYVNQVIRLPE-NRFANRHFSA-N 2 1 365.525 3.182 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000127307913 494925825 /nfs/dbraw/zinc/92/58/25/494925825.db2.gz MUMSTXLFGALRGK-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000122167234 494935106 /nfs/dbraw/zinc/93/51/06/494935106.db2.gz IJXHDTNWAGTLOF-UHFFFAOYSA-N 2 1 370.541 3.443 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127603420 494969249 /nfs/dbraw/zinc/96/92/49/494969249.db2.gz QWPSYYSSLIEYDD-WIYYLYMNSA-N 2 1 370.541 3.407 20 0 FGADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000128049032 495037066 /nfs/dbraw/zinc/03/70/66/495037066.db2.gz WSCIKIQOELMLID-XJKSGUPXSA-N 2 1 367.946 3.054 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCSc3ccc(Cl)cc32)C1 ZINC000128049032 495037069 /nfs/dbraw/zinc/03/70/69/495037069.db2.gz WSCIKIQOELMLID-XJKSGUPXSA-N 2 1 367.946 3.054 20 0 FGADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000111231383 495051022 /nfs/dbraw/zinc/05/10/22/495051022.db2.gz YHMWKLFXAMQAOL-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCOc2cccc(Cl)c2)CC1 ZINC000111231383 495051024 /nfs/dbraw/zinc/05/10/24/495051024.db2.gz YHMWKLFXAMQAOL-IBGZPJMESA-N 2 1 365.949 3.211 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000128214260 495063076 /nfs/dbraw/zinc/06/30/76/495063076.db2.gz HHTAAFATVPADDF-LRDDRELGSA-N 2 1 370.324 3.158 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(Br)c1 ZINC000128264216 495069303 /nfs/dbraw/zinc/06/93/03/495069303.db2.gz SYQPAEFPYZLUNS-AWEZNQCLSA-N 2 1 372.326 3.266 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000119050648 495080779 /nfs/dbraw/zinc/08/07/79/495080779.db2.gz CWOFLRJHQZOYCO-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123240670 495102079 /nfs/dbraw/zinc/10/20/79/495102079.db2.gz BHIZHBBOAYPFGC-UZLBHIALSA-N 2 1 369.513 3.367 20 0 FGADMP CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128569822 495117606 /nfs/dbraw/zinc/11/76/06/495117606.db2.gz UORZRWZTXJEVKP-IBGZPJMESA-N 2 1 359.562 3.259 20 0 FGADMP CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128569822 495117608 /nfs/dbraw/zinc/11/76/08/495117608.db2.gz UORZRWZTXJEVKP-IBGZPJMESA-N 2 1 359.562 3.259 20 0 FGADMP CCC[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000128569822 495117611 /nfs/dbraw/zinc/11/76/11/495117611.db2.gz UORZRWZTXJEVKP-IBGZPJMESA-N 2 1 359.562 3.259 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2ccnc2C)C1 ZINC000111847391 495120173 /nfs/dbraw/zinc/12/01/73/495120173.db2.gz FATMIALSCXDFQC-AEFFLSMTSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000111847391 495120177 /nfs/dbraw/zinc/12/01/77/495120177.db2.gz FATMIALSCXDFQC-AEFFLSMTSA-N 2 1 363.550 3.027 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC[C@@H](C)Cn2cc[nH+]c2C)C1 ZINC000111847391 495120183 /nfs/dbraw/zinc/12/01/83/495120183.db2.gz FATMIALSCXDFQC-AEFFLSMTSA-N 2 1 363.550 3.027 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000577604944 505763271 /nfs/dbraw/zinc/76/32/71/505763271.db2.gz KQWRUEBZQGVZKS-VQTJNVASSA-N 2 1 354.498 3.013 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC000580455382 505763503 /nfs/dbraw/zinc/76/35/03/505763503.db2.gz DNHAFEXSLVIMBP-QGZVFWFLSA-N 2 1 351.560 3.069 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112406349 495185430 /nfs/dbraw/zinc/18/54/30/495185430.db2.gz JGSSYWCRSIULNH-HXUWFJFHSA-N 2 1 361.505 3.375 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000112406349 495185434 /nfs/dbraw/zinc/18/54/34/495185434.db2.gz JGSSYWCRSIULNH-HXUWFJFHSA-N 2 1 361.505 3.375 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4[C@@H]5CCO[C@@H]5C45CCC5)[C@@H]3C2)cc1 ZINC000134793624 495201780 /nfs/dbraw/zinc/20/17/80/495201780.db2.gz MJQPIFTUYSZUNZ-ZEOIANDVSA-N 2 1 352.522 3.444 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000123960792 495212855 /nfs/dbraw/zinc/21/28/55/495212855.db2.gz JCBKDJIISGYHNV-ZDUSSCGKSA-N 2 1 365.905 3.282 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H](c1ccco1)[NH+](C)C)c1ccccc1 ZINC000113578688 495317025 /nfs/dbraw/zinc/31/70/25/495317025.db2.gz DEWUDSXLICKXMV-AEFFLSMTSA-N 2 1 372.513 3.311 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000130020874 495329394 /nfs/dbraw/zinc/32/93/94/495329394.db2.gz ORRCJHWPENRTIW-GQOXECLESA-N 2 1 361.505 3.027 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000130020874 495329397 /nfs/dbraw/zinc/32/93/97/495329397.db2.gz ORRCJHWPENRTIW-GQOXECLESA-N 2 1 361.505 3.027 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)C1 ZINC000105113299 495337790 /nfs/dbraw/zinc/33/77/90/495337790.db2.gz KADRFQKNWLKDDA-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000130099684 495341411 /nfs/dbraw/zinc/34/14/11/495341411.db2.gz YCVQAFIPGHDENG-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000130099684 495341414 /nfs/dbraw/zinc/34/14/14/495341414.db2.gz YCVQAFIPGHDENG-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000130099684 495341418 /nfs/dbraw/zinc/34/14/18/495341418.db2.gz YCVQAFIPGHDENG-JYRKZWEQSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000113997793 495342334 /nfs/dbraw/zinc/34/23/34/495342334.db2.gz OJWXLTDPNLAXIS-QRVBRYPASA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)COCc2cccs2)C1 ZINC000113997793 495342336 /nfs/dbraw/zinc/34/23/36/495342336.db2.gz OJWXLTDPNLAXIS-QRVBRYPASA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)COCc2cccs2)C1 ZINC000113997793 495342338 /nfs/dbraw/zinc/34/23/38/495342338.db2.gz OJWXLTDPNLAXIS-QRVBRYPASA-N 2 1 366.571 3.212 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)COCc2cccs2)C1 ZINC000113997793 495342340 /nfs/dbraw/zinc/34/23/40/495342340.db2.gz OJWXLTDPNLAXIS-QRVBRYPASA-N 2 1 366.571 3.212 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000130359941 495380136 /nfs/dbraw/zinc/38/01/36/495380136.db2.gz WWCXFZYEYAPKSW-SFHVURJKSA-N 2 1 362.543 3.479 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N[C@@H](c1cccs1)C(C)(C)C ZINC000130359941 495380137 /nfs/dbraw/zinc/38/01/37/495380137.db2.gz WWCXFZYEYAPKSW-SFHVURJKSA-N 2 1 362.543 3.479 20 0 FGADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000120531996 495399330 /nfs/dbraw/zinc/39/93/30/495399330.db2.gz NBIMJWIDBLZUCN-HXUWFJFHSA-N 2 1 357.542 3.073 20 0 FGADMP Cc1nccn1CCC[N@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000130595451 495416292 /nfs/dbraw/zinc/41/62/92/495416292.db2.gz NJBIYWSNCRXBKQ-OAHLLOKOSA-N 2 1 358.511 3.041 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1CCSc2ccccc21 ZINC000130595451 495416296 /nfs/dbraw/zinc/41/62/96/495416296.db2.gz NJBIYWSNCRXBKQ-OAHLLOKOSA-N 2 1 358.511 3.041 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000114834546 495433724 /nfs/dbraw/zinc/43/37/24/495433724.db2.gz CZWXUMCIUYIBRJ-OAQYLSRUSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C[N@H+]1Cc1ccccc1 ZINC000137465347 495441490 /nfs/dbraw/zinc/44/14/90/495441490.db2.gz RIJVMZWNTDOBGM-LAUBAEHRSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000120767948 495453882 /nfs/dbraw/zinc/45/38/82/495453882.db2.gz KUNYNFKNUMOIJX-MRXNPFEDSA-N 2 1 367.559 3.363 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000125501538 495454527 /nfs/dbraw/zinc/45/45/27/495454527.db2.gz QIGPEWIXZHLHHZ-GOSISDBHSA-N 2 1 361.493 3.318 20 0 FGADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000125501538 495454533 /nfs/dbraw/zinc/45/45/33/495454533.db2.gz QIGPEWIXZHLHHZ-GOSISDBHSA-N 2 1 361.493 3.318 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000139782588 495483577 /nfs/dbraw/zinc/48/35/77/495483577.db2.gz MJBSHQZUABIRON-TZIWHRDSSA-N 2 1 372.557 3.161 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000131112148 495493758 /nfs/dbraw/zinc/49/37/58/495493758.db2.gz RJVRXGVQPQCUOB-GOSISDBHSA-N 2 1 364.578 3.061 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC000125835513 495505845 /nfs/dbraw/zinc/50/58/45/495505845.db2.gz BKKJVKYEQMFWJK-UHFFFAOYSA-N 2 1 373.476 3.397 20 0 FGADMP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000115616668 495521378 /nfs/dbraw/zinc/52/13/78/495521378.db2.gz FRXPPVSFNHLNHD-INIZCTEOSA-N 2 1 373.472 3.071 20 0 FGADMP Cc1c(F)cccc1-c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000115616668 495521379 /nfs/dbraw/zinc/52/13/79/495521379.db2.gz FRXPPVSFNHLNHD-INIZCTEOSA-N 2 1 373.472 3.071 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000170627306 495538713 /nfs/dbraw/zinc/53/87/13/495538713.db2.gz OLSQMMBRZNVEID-TZIWHRDSSA-N 2 1 357.542 3.260 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559730 /nfs/dbraw/zinc/55/97/30/495559730.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559727 /nfs/dbraw/zinc/55/97/27/495559727.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H](NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559731 /nfs/dbraw/zinc/55/97/31/495559731.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 2 1 353.595 3.081 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559736 /nfs/dbraw/zinc/55/97/36/495559736.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[NH+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559738 /nfs/dbraw/zinc/55/97/38/495559738.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559742 /nfs/dbraw/zinc/55/97/42/495559742.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 3 1 353.595 3.081 20 0 FGADMP CCOCCC[NH+]1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C)C1 ZINC000158653738 495559744 /nfs/dbraw/zinc/55/97/44/495559744.db2.gz AHOYPXWUOMNVDH-MHTWAQMVSA-N 3 1 353.595 3.081 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000158813997 495594489 /nfs/dbraw/zinc/59/44/89/495594489.db2.gz KMEWAINHFKWJDA-UHFFFAOYSA-N 2 1 365.319 3.489 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CC1 ZINC000182588536 495626701 /nfs/dbraw/zinc/62/67/01/495626701.db2.gz PPRKSXJSNIDZRC-HKUYNNGSSA-N 2 1 364.578 3.155 20 0 FGADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000158976828 495627905 /nfs/dbraw/zinc/62/79/05/495627905.db2.gz SFUYDIKTOJSDKF-WMZOPIPTSA-N 2 1 356.457 3.422 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(F)c(F)c1 ZINC000182683627 495663427 /nfs/dbraw/zinc/66/34/27/495663427.db2.gz MQODGQZFZSBWOJ-LJQANCHMSA-N 2 1 364.436 3.383 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCC[NH+](C)C1CCCC1 ZINC000176476390 495663966 /nfs/dbraw/zinc/66/39/66/495663966.db2.gz ZZAPYLKNRNUJJR-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000176476390 495663969 /nfs/dbraw/zinc/66/39/69/495663969.db2.gz ZZAPYLKNRNUJJR-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000176476390 495663973 /nfs/dbraw/zinc/66/39/73/495663973.db2.gz ZZAPYLKNRNUJJR-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)COc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185662516 495667658 /nfs/dbraw/zinc/66/76/58/495667658.db2.gz HPHGWECGPKZWOY-FCEWJHQRSA-N 2 1 366.933 3.322 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000159221928 495686479 /nfs/dbraw/zinc/68/64/79/495686479.db2.gz ANXGHHZLEJVDQN-GFCCVEGCSA-N 2 1 352.841 3.333 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cc(Cl)ccc1F ZINC000159221928 495686486 /nfs/dbraw/zinc/68/64/86/495686486.db2.gz ANXGHHZLEJVDQN-GFCCVEGCSA-N 2 1 352.841 3.333 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185746701 495707406 /nfs/dbraw/zinc/70/74/06/495707406.db2.gz GMKRFGUIAPQKGV-AOIWGVFYSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCc2ccccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185746701 495707412 /nfs/dbraw/zinc/70/74/12/495707412.db2.gz GMKRFGUIAPQKGV-AOIWGVFYSA-N 2 1 355.526 3.207 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000173827856 495710215 /nfs/dbraw/zinc/71/02/15/495710215.db2.gz KCJBFWJDCRQLKO-GIVPXCGWSA-N 2 1 374.573 3.064 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21)c1ccccc1 ZINC000182872649 495736234 /nfs/dbraw/zinc/73/62/34/495736234.db2.gz BNKZYXLSHOGREO-SXLOBPIMSA-N 2 1 372.557 3.242 20 0 FGADMP Cc1cccc(-c2noc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n2)c1 ZINC000173949136 495759266 /nfs/dbraw/zinc/75/92/66/495759266.db2.gz WGVLDMJGWOFMFV-UHFFFAOYSA-N 2 1 370.497 3.122 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951822 495760813 /nfs/dbraw/zinc/76/08/13/495760813.db2.gz AGWAWJFMOIBQAP-ROUUACIJSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951822 495760820 /nfs/dbraw/zinc/76/08/20/495760820.db2.gz AGWAWJFMOIBQAP-ROUUACIJSA-N 2 1 354.922 3.024 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COCc1ccccc1Cl ZINC000173951822 495760827 /nfs/dbraw/zinc/76/08/27/495760827.db2.gz AGWAWJFMOIBQAP-ROUUACIJSA-N 2 1 354.922 3.024 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000173955827 495762897 /nfs/dbraw/zinc/76/28/97/495762897.db2.gz MIHQWGBMJCSCBI-IBGZPJMESA-N 2 1 373.541 3.207 20 0 FGADMP CC[NH+](CC)CCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000154971787 495789077 /nfs/dbraw/zinc/78/90/77/495789077.db2.gz VUHSUMJQWWJYQH-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP Cc1[nH]nc2ncc(C[N@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000580658369 505807411 /nfs/dbraw/zinc/80/74/11/505807411.db2.gz DYYFBZGXPJNJGM-WOJBJXKFSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[N@@H+]3C[C@H]4C[NH+](Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000580658369 505807414 /nfs/dbraw/zinc/80/74/14/505807414.db2.gz DYYFBZGXPJNJGM-WOJBJXKFSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@H]4C[N@@H+](Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000580658369 505807417 /nfs/dbraw/zinc/80/74/17/505807417.db2.gz DYYFBZGXPJNJGM-WOJBJXKFSA-N 2 1 361.493 3.220 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3C[C@H]4C[N@H+](Cc5ccccc5)CC[C@@H]4C3)cc12 ZINC000580658369 505807421 /nfs/dbraw/zinc/80/74/21/505807421.db2.gz DYYFBZGXPJNJGM-WOJBJXKFSA-N 2 1 361.493 3.220 20 0 FGADMP CCC[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000180074132 495846987 /nfs/dbraw/zinc/84/69/87/495846987.db2.gz XNZHEYOYSDMMQE-JOCHJYFZSA-N 2 1 371.569 3.446 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc3C2)cc1 ZINC000183135827 495849828 /nfs/dbraw/zinc/84/98/28/495849828.db2.gz MXXTZJURBLMPSK-QGZVFWFLSA-N 2 1 374.488 3.416 20 0 FGADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000186102547 495856765 /nfs/dbraw/zinc/85/67/65/495856765.db2.gz LUNSWFVTOVTIAX-ZWKOTPCHSA-N 2 1 361.534 3.057 20 0 FGADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)c1 ZINC000174241891 495879298 /nfs/dbraw/zinc/87/92/98/495879298.db2.gz KCICCEPYLKNPPF-UHFFFAOYSA-N 2 1 373.541 3.127 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)NCc2ccccc2Cl)CC1 ZINC000177050975 495902235 /nfs/dbraw/zinc/90/22/35/495902235.db2.gz CEDURLBDZLERRW-UHFFFAOYSA-N 2 1 351.922 3.153 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171613066 495947788 /nfs/dbraw/zinc/94/77/88/495947788.db2.gz WTTWNACDGUMOKM-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000183514743 496017824 /nfs/dbraw/zinc/01/78/24/496017824.db2.gz YJWYMAPUVNETPI-UHFFFAOYSA-N 2 1 366.509 3.132 20 0 FGADMP CCc1nc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)cs1 ZINC000177479961 496078717 /nfs/dbraw/zinc/07/87/17/496078717.db2.gz HKGAMPJVMBETMT-HZPDHXFCSA-N 2 1 351.560 3.417 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000152243412 496092414 /nfs/dbraw/zinc/09/24/14/496092414.db2.gz PHPLBYHUZRWRIN-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000174910957 496160524 /nfs/dbraw/zinc/16/05/24/496160524.db2.gz PZTHYRVKWBMULI-HXUWFJFHSA-N 2 1 369.513 3.108 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CC2(C[NH+](C)C)CCCC2)cc(OC)c1OC ZINC000183952563 496174048 /nfs/dbraw/zinc/17/40/48/496174048.db2.gz ZFZLSOLBSCXHSY-OAHLLOKOSA-N 2 1 350.503 3.485 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156164124 496174261 /nfs/dbraw/zinc/17/42/61/496174261.db2.gz OEVFUIYVFMSOJF-MSOLQXFVSA-N 3 1 358.530 3.222 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156164124 496174267 /nfs/dbraw/zinc/17/42/67/496174267.db2.gz OEVFUIYVFMSOJF-MSOLQXFVSA-N 3 1 358.530 3.222 20 0 FGADMP C[C@@H](c1cccc(Br)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180931830 496204987 /nfs/dbraw/zinc/20/49/87/496204987.db2.gz XVFMVMVBTKELHM-HNNXBMFYSA-N 2 1 368.363 3.468 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](c3nccn3C)C2)cc1 ZINC000580754791 505829672 /nfs/dbraw/zinc/82/96/72/505829672.db2.gz HUFSCMHJRISOLK-ZAAXVRCTSA-N 2 1 365.481 3.485 20 0 FGADMP CN(CC[N@@H+](C)CCOc1cccc2ccccc21)C1CC[NH+](C)CC1 ZINC000180940779 496209932 /nfs/dbraw/zinc/20/99/32/496209932.db2.gz MDZTZXZPTAPYIC-UHFFFAOYSA-N 2 1 355.526 3.176 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCCC[NH+]2CCCCC2)C1 ZINC000172220698 496214440 /nfs/dbraw/zinc/21/44/40/496214440.db2.gz IGICMKPWJFRZLM-PMACEKPBSA-N 2 1 364.578 3.158 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCCc3ccccc3)CC2)CC1 ZINC000187011088 496251045 /nfs/dbraw/zinc/25/10/45/496251045.db2.gz NWYUYDWGPKTJOV-UHFFFAOYSA-N 2 1 371.569 3.276 20 0 FGADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)c1 ZINC000156516537 496266130 /nfs/dbraw/zinc/26/61/30/496266130.db2.gz VKDABNFMWMWQCS-NRFANRHFSA-N 2 1 351.494 3.143 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCN2C(=O)c3ccccc3C2=O)cc1 ZINC000177967112 496270104 /nfs/dbraw/zinc/27/01/04/496270104.db2.gz LZDAUDRQWNOFFK-HNNXBMFYSA-N 2 1 374.444 3.128 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000577989920 505835104 /nfs/dbraw/zinc/83/51/04/505835104.db2.gz YUFVWPJIVFNMST-RBBKRZOGSA-N 2 1 354.494 3.024 20 0 FGADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000577989920 505835106 /nfs/dbraw/zinc/83/51/06/505835106.db2.gz YUFVWPJIVFNMST-RBBKRZOGSA-N 2 1 354.494 3.024 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000162146667 496303550 /nfs/dbraw/zinc/30/35/50/496303550.db2.gz KJJIAWGMKVUJSQ-UHFFFAOYSA-N 2 1 351.485 3.279 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000172542547 496335328 /nfs/dbraw/zinc/33/53/28/496335328.db2.gz HQVZQXCZISVYLE-OALUTQOASA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000156925389 496365594 /nfs/dbraw/zinc/36/55/94/496365594.db2.gz FJGAJVUIVXGDCA-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)NC2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000156925389 496365599 /nfs/dbraw/zinc/36/55/99/496365599.db2.gz FJGAJVUIVXGDCA-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925389 496365603 /nfs/dbraw/zinc/36/56/03/496365603.db2.gz FJGAJVUIVXGDCA-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)NC2CCCC2)CC[NH+]1Cc1ccccc1 ZINC000156925389 496365611 /nfs/dbraw/zinc/36/56/11/496365611.db2.gz FJGAJVUIVXGDCA-NQIIRXRSSA-N 2 1 357.542 3.420 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C12CCCC2 ZINC000181415823 496385028 /nfs/dbraw/zinc/38/50/28/496385028.db2.gz DINOQUMMEUVERF-SFTDATJTSA-N 2 1 358.526 3.346 20 0 FGADMP C[C@H]1C[C@H](N(C)CC(=O)N(C)Cc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000157078843 496400816 /nfs/dbraw/zinc/40/08/16/496400816.db2.gz NGFGKWZDPDIGKS-AZUAARDMSA-N 2 1 369.509 3.223 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478206 496458107 /nfs/dbraw/zinc/45/81/07/496458107.db2.gz VJZUVCGRUWAYAB-SFTDATJTSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[N@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478206 496458113 /nfs/dbraw/zinc/45/81/13/496458113.db2.gz VJZUVCGRUWAYAB-SFTDATJTSA-N 2 1 374.573 3.126 20 0 FGADMP CC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)C1 ZINC000187478206 496458118 /nfs/dbraw/zinc/45/81/18/496458118.db2.gz VJZUVCGRUWAYAB-SFTDATJTSA-N 2 1 374.573 3.126 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000153599733 496513738 /nfs/dbraw/zinc/51/37/38/496513738.db2.gz ASHBPTFCKHWIIW-JOCHJYFZSA-N 2 1 372.557 3.215 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H](C)C1 ZINC000153602907 496514812 /nfs/dbraw/zinc/51/48/12/496514812.db2.gz IWXMGZYSTAQFTE-IRLDBZIGSA-N 2 1 374.569 3.461 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CC(=O)N(C)c1ccccc1 ZINC000184744976 496516573 /nfs/dbraw/zinc/51/65/73/496516573.db2.gz ZGZXUQVWLNKSNL-OALUTQOASA-N 2 1 365.521 3.396 20 0 FGADMP CCC[N@H+]1CCCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000163525302 496528364 /nfs/dbraw/zinc/52/83/64/496528364.db2.gz UWJDTADJKPOMFV-UHFFFAOYSA-N 2 1 357.542 3.233 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000157763226 496547980 /nfs/dbraw/zinc/54/79/80/496547980.db2.gz XBTPRONHBUELIZ-QGZVFWFLSA-N 2 1 371.529 3.037 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000157763226 496547986 /nfs/dbraw/zinc/54/79/86/496547986.db2.gz XBTPRONHBUELIZ-QGZVFWFLSA-N 2 1 371.529 3.037 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000157873576 496574570 /nfs/dbraw/zinc/57/45/70/496574570.db2.gz MXJMMFNEGQEFFQ-GJZGRUSLSA-N 2 1 357.340 3.278 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](OCC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000181862658 496576869 /nfs/dbraw/zinc/57/68/69/496576869.db2.gz CAGIQILCUKHVHN-RBUKOAKNSA-N 2 1 360.546 3.492 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C12CCCC2 ZINC000181947779 496609501 /nfs/dbraw/zinc/60/95/01/496609501.db2.gz AHRSCKXYXKANKT-OALUTQOASA-N 2 1 350.547 3.349 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000179092922 496672314 /nfs/dbraw/zinc/67/23/14/496672314.db2.gz GDQRNDUHTJCVHH-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000179092922 496672316 /nfs/dbraw/zinc/67/23/16/496672316.db2.gz GDQRNDUHTJCVHH-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000179092922 496672321 /nfs/dbraw/zinc/67/23/21/496672321.db2.gz GDQRNDUHTJCVHH-VVIORFSUSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000179122778 496681857 /nfs/dbraw/zinc/68/18/57/496681857.db2.gz UIOYKBPIZUYEPD-HMXCVIKNSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000179122778 496681862 /nfs/dbraw/zinc/68/18/62/496681862.db2.gz UIOYKBPIZUYEPD-HMXCVIKNSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000179122778 496681868 /nfs/dbraw/zinc/68/18/68/496681868.db2.gz UIOYKBPIZUYEPD-HMXCVIKNSA-N 2 1 372.557 3.243 20 0 FGADMP COc1cc(CNC[C@@H]2CCC[N@@H+]2C)cc(OC)c1OCc1ccccc1 ZINC000166380491 496684530 /nfs/dbraw/zinc/68/45/30/496684530.db2.gz NYJYAJHHHFJODY-IBGZPJMESA-N 2 1 370.493 3.467 20 0 FGADMP COc1cc(CNC[C@@H]2CCC[N@H+]2C)cc(OC)c1OCc1ccccc1 ZINC000166380491 496684534 /nfs/dbraw/zinc/68/45/34/496684534.db2.gz NYJYAJHHHFJODY-IBGZPJMESA-N 2 1 370.493 3.467 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(F)c(C)c1 ZINC000176122906 496693929 /nfs/dbraw/zinc/69/39/29/496693929.db2.gz LFFPFDRHJSZGQB-KRWDZBQOSA-N 2 1 350.482 3.014 20 0 FGADMP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000167543815 496702200 /nfs/dbraw/zinc/70/22/00/496702200.db2.gz WOCNUTYVFFAQDK-VURPSTOHSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000168706634 496711633 /nfs/dbraw/zinc/71/16/33/496711633.db2.gz ZVZSKLIPLNJNEK-CBQOVEMMSA-N 2 1 365.521 3.303 20 0 FGADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000188202239 496715506 /nfs/dbraw/zinc/71/55/06/496715506.db2.gz RXVNACDUDLHTOU-AWEZNQCLSA-N 2 1 355.320 3.081 20 0 FGADMP CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1(C)C ZINC000185261991 496720022 /nfs/dbraw/zinc/72/00/22/496720022.db2.gz QVMQPKHDMIKSLX-NJDAHSKKSA-N 2 1 360.542 3.325 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CSCCc3ccccc32)C1 ZINC000182262747 496723053 /nfs/dbraw/zinc/72/30/53/496723053.db2.gz XCLNYNYZRHUAKE-UNMCSNQZSA-N 2 1 368.546 3.373 20 0 FGADMP CN(c1ccccc1C[NH2+]CC1(C[NH+](C)C)CCCC1)C1CC[NH+](C)CC1 ZINC000185293185 496724947 /nfs/dbraw/zinc/72/49/47/496724947.db2.gz LSIGNUSTBPRQMA-UHFFFAOYSA-N 3 1 372.601 3.429 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000191398557 496750508 /nfs/dbraw/zinc/75/05/08/496750508.db2.gz ZVXXADXYZJWAAZ-UHFFFAOYSA-N 2 1 373.463 3.433 20 0 FGADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900046 505864504 /nfs/dbraw/zinc/86/45/04/505864504.db2.gz FIRMZYATXKYUFP-IBGZPJMESA-N 2 1 364.530 3.151 20 0 FGADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900046 505864508 /nfs/dbraw/zinc/86/45/08/505864508.db2.gz FIRMZYATXKYUFP-IBGZPJMESA-N 2 1 364.530 3.151 20 0 FGADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900046 505864510 /nfs/dbraw/zinc/86/45/10/505864510.db2.gz FIRMZYATXKYUFP-IBGZPJMESA-N 2 1 364.530 3.151 20 0 FGADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(OC)c(OC)c1)C1CCCCC1 ZINC000580900046 505864515 /nfs/dbraw/zinc/86/45/15/505864515.db2.gz FIRMZYATXKYUFP-IBGZPJMESA-N 2 1 364.530 3.151 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@@H+]1Cc1ccccc1 ZINC000268748553 496772843 /nfs/dbraw/zinc/77/28/43/496772843.db2.gz ILPUQGJQPALROW-AZUAARDMSA-N 2 1 367.541 3.190 20 0 FGADMP C[C@H]1C[C@H]([NH2+]CCc2nnc3n2CCCCC3)CC[N@H+]1Cc1ccccc1 ZINC000268748553 496772846 /nfs/dbraw/zinc/77/28/46/496772846.db2.gz ILPUQGJQPALROW-AZUAARDMSA-N 2 1 367.541 3.190 20 0 FGADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)[C@H]1C ZINC000247085867 496775383 /nfs/dbraw/zinc/77/53/83/496775383.db2.gz XFKCAMIANUQWPH-SJORKVTESA-N 2 1 361.555 3.294 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC1 ZINC000191476213 496775684 /nfs/dbraw/zinc/77/56/84/496775684.db2.gz QOXAVSDVJBVKTQ-FQEVSTJZSA-N 2 1 373.541 3.011 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247100982 496778290 /nfs/dbraw/zinc/77/82/90/496778290.db2.gz XECYZVMTUFEMCX-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268765404 496778461 /nfs/dbraw/zinc/77/84/61/496778461.db2.gz PQHFYKKQDDZGIK-PXNSSMCTSA-N 2 1 359.514 3.250 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000268765404 496778465 /nfs/dbraw/zinc/77/84/65/496778465.db2.gz PQHFYKKQDDZGIK-PXNSSMCTSA-N 2 1 359.514 3.250 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000191501664 496786228 /nfs/dbraw/zinc/78/62/28/496786228.db2.gz FTUGWWFJGJUQBH-KRWDZBQOSA-N 2 1 354.498 3.135 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCc2ccccc21 ZINC000191501664 496786233 /nfs/dbraw/zinc/78/62/33/496786233.db2.gz FTUGWWFJGJUQBH-KRWDZBQOSA-N 2 1 354.498 3.135 20 0 FGADMP CCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000195012220 496790138 /nfs/dbraw/zinc/79/01/38/496790138.db2.gz CHUYXLNVWZZWIE-UHFFFAOYSA-N 2 1 371.447 3.082 20 0 FGADMP CCC[N@@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000195012220 496790145 /nfs/dbraw/zinc/79/01/45/496790145.db2.gz CHUYXLNVWZZWIE-UHFFFAOYSA-N 2 1 371.447 3.082 20 0 FGADMP CCC[NH+](C)CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000195012220 496790148 /nfs/dbraw/zinc/79/01/48/496790148.db2.gz CHUYXLNVWZZWIE-UHFFFAOYSA-N 2 1 371.447 3.082 20 0 FGADMP CCC[NH+](C)CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000195012220 496790155 /nfs/dbraw/zinc/79/01/55/496790155.db2.gz CHUYXLNVWZZWIE-UHFFFAOYSA-N 2 1 371.447 3.082 20 0 FGADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803200 496790667 /nfs/dbraw/zinc/79/06/67/496790667.db2.gz BNPLESYZBTWZEM-UONOGXRCSA-N 2 1 360.470 3.065 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000268803200 496790669 /nfs/dbraw/zinc/79/06/69/496790669.db2.gz BNPLESYZBTWZEM-UONOGXRCSA-N 2 1 360.470 3.065 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N[C@H]2CCCc3ccccc32)C1 ZINC000247214968 496807050 /nfs/dbraw/zinc/80/70/50/496807050.db2.gz COAKPZYJQALCCQ-NQIIRXRSSA-N 2 1 357.542 3.234 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c2cccs2)cc1 ZINC000578123136 505867472 /nfs/dbraw/zinc/86/74/72/505867472.db2.gz QRJFCIUVDDKKFI-QUCCMNQESA-N 2 1 371.550 3.240 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290465 496825861 /nfs/dbraw/zinc/82/58/61/496825861.db2.gz UISAKILLCBWWJK-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290465 496825868 /nfs/dbraw/zinc/82/58/68/496825868.db2.gz UISAKILLCBWWJK-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000247290465 496825873 /nfs/dbraw/zinc/82/58/73/496825873.db2.gz UISAKILLCBWWJK-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961823 496836115 /nfs/dbraw/zinc/83/61/15/496836115.db2.gz XTCPJGYRICDQOZ-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961823 496836122 /nfs/dbraw/zinc/83/61/22/496836122.db2.gz XTCPJGYRICDQOZ-GHTZIAJQSA-N 2 1 361.493 3.410 20 0 FGADMP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277644930 496839771 /nfs/dbraw/zinc/83/97/71/496839771.db2.gz YIJQUWMJYGIDQZ-MRXNPFEDSA-N 2 1 355.482 3.241 20 0 FGADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc4ccccc4n3C(F)F)CC2)C1 ZINC000578134851 505870469 /nfs/dbraw/zinc/87/04/69/505870469.db2.gz HPAPORODQRGCJY-PBHICJAKSA-N 2 1 364.440 3.150 20 0 FGADMP OCC[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000269052899 496859455 /nfs/dbraw/zinc/85/94/55/496859455.db2.gz ROTXUBXKLVBCQX-JOCHJYFZSA-N 2 1 352.522 3.449 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000247486026 496870354 /nfs/dbraw/zinc/87/03/54/496870354.db2.gz VFCGRGHEOCGAOW-JZXOWHBKSA-N 2 1 366.575 3.161 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000195289460 496877562 /nfs/dbraw/zinc/87/75/62/496877562.db2.gz DPYRXGIQLYQHIU-NRFANRHFSA-N 2 1 351.494 3.070 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)[C@@H](C)C1 ZINC000248062707 496950038 /nfs/dbraw/zinc/95/00/38/496950038.db2.gz YXICMSRAEDNDKC-WFXMLNOXSA-N 2 1 371.529 3.055 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000580950626 505875833 /nfs/dbraw/zinc/87/58/33/505875833.db2.gz XKYZIQPARRXJFG-UZUQRXQVSA-N 2 1 374.488 3.289 20 0 FGADMP CC[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(Cl)cc1 ZINC000248180848 496969017 /nfs/dbraw/zinc/96/90/17/496969017.db2.gz WKPUYGVZTCNHQG-YTQUADARSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000578171300 505877788 /nfs/dbraw/zinc/87/77/88/505877788.db2.gz ZPXMKKVXTGAIMM-SFHVURJKSA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248393901 496992572 /nfs/dbraw/zinc/99/25/72/496992572.db2.gz FEPDYGVGYXKXEY-XWSJACJDSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393901 496992574 /nfs/dbraw/zinc/99/25/74/496992574.db2.gz FEPDYGVGYXKXEY-XWSJACJDSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393901 496992575 /nfs/dbraw/zinc/99/25/75/496992575.db2.gz FEPDYGVGYXKXEY-XWSJACJDSA-N 2 1 364.578 3.059 20 0 FGADMP Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248405052 496998592 /nfs/dbraw/zinc/99/85/92/496998592.db2.gz QXGPTDTUSTVUDG-KSEOMHKRSA-N 2 1 352.526 3.427 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000189069698 496998780 /nfs/dbraw/zinc/99/87/80/496998780.db2.gz AORSJAHFWLQRGN-DOMZBBRYSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCOc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000189069698 496998786 /nfs/dbraw/zinc/99/87/86/496998786.db2.gz AORSJAHFWLQRGN-DOMZBBRYSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069698 496998788 /nfs/dbraw/zinc/99/87/88/496998788.db2.gz AORSJAHFWLQRGN-DOMZBBRYSA-N 2 1 359.283 3.382 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000189069698 496998791 /nfs/dbraw/zinc/99/87/91/496998791.db2.gz AORSJAHFWLQRGN-DOMZBBRYSA-N 2 1 359.283 3.382 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248407629 496999394 /nfs/dbraw/zinc/99/93/94/496999394.db2.gz UNJUPVGWFATFQQ-PWRODBHTSA-N 2 1 357.542 3.039 20 0 FGADMP COc1cc(Br)ccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248456515 497017107 /nfs/dbraw/zinc/01/71/07/497017107.db2.gz SHYNYUBAQHMQRI-CZUORRHYSA-N 2 1 353.304 3.374 20 0 FGADMP COc1ccc(OC)c([C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000248459045 497018884 /nfs/dbraw/zinc/01/88/84/497018884.db2.gz VHWWHPVRSBWOKM-VQIMIIECSA-N 2 1 370.493 3.121 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Br)c(Cl)c2)CC1 ZINC000192166605 497020953 /nfs/dbraw/zinc/02/09/53/497020953.db2.gz KYSUONPKURQPMS-UHFFFAOYSA-N 2 1 361.711 3.303 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)c1 ZINC000248553674 497037087 /nfs/dbraw/zinc/03/70/87/497037087.db2.gz HMQGZNANVSNICT-SVFBPWRDSA-N 2 1 360.542 3.286 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000248768684 497101743 /nfs/dbraw/zinc/10/17/43/497101743.db2.gz PQVAIDXWZMJSSY-KGLIPLIRSA-N 2 1 369.303 3.183 20 0 FGADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1OC ZINC000248768684 497101748 /nfs/dbraw/zinc/10/17/48/497101748.db2.gz PQVAIDXWZMJSSY-KGLIPLIRSA-N 2 1 369.303 3.183 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)c2cccs2)CC1 ZINC000236651995 497127555 /nfs/dbraw/zinc/12/75/55/497127555.db2.gz KLLUFBWXARQELL-HKUYNNGSSA-N 2 1 357.523 3.337 20 0 FGADMP CC(C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000236660272 497128481 /nfs/dbraw/zinc/12/84/81/497128481.db2.gz RLOASTBZRFSCAT-VXKWHMMOSA-N 2 1 365.521 3.276 20 0 FGADMP C[C@@H]([NH2+]CCc1cn2c(n1)SCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274763083 497160046 /nfs/dbraw/zinc/16/00/46/497160046.db2.gz KQRDDBCHZZVSJI-SJLPKXTDSA-N 2 1 356.539 3.032 20 0 FGADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1 ZINC000270666832 497174146 /nfs/dbraw/zinc/17/41/46/497174146.db2.gz RLUGTIFJVNLFSU-UHFFFAOYSA-N 2 1 372.488 3.058 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000278676624 497186537 /nfs/dbraw/zinc/18/65/37/497186537.db2.gz OEXOHACUYMDXOJ-IBGZPJMESA-N 2 1 357.498 3.167 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000278676624 497186541 /nfs/dbraw/zinc/18/65/41/497186541.db2.gz OEXOHACUYMDXOJ-IBGZPJMESA-N 2 1 357.498 3.167 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274904690 497195876 /nfs/dbraw/zinc/19/58/76/497195876.db2.gz LYCATWSQHTVCOE-AZUAARDMSA-N 2 1 357.542 3.134 20 0 FGADMP CC(C)C(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000274904696 497196576 /nfs/dbraw/zinc/19/65/76/497196576.db2.gz LYCATWSQHTVCOE-UYAOXDASSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000192808975 497219781 /nfs/dbraw/zinc/21/97/81/497219781.db2.gz CMZRNXPWVRNOSG-QFIPXVFZSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H](CC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000237365670 497226946 /nfs/dbraw/zinc/22/69/46/497226946.db2.gz VLVNMARITNZPMH-SFHVURJKSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]Cc2cncc(F)c2)CC1 ZINC000275059059 497229618 /nfs/dbraw/zinc/22/96/18/497229618.db2.gz OTORAFMJWUWRBX-OAHLLOKOSA-N 2 1 360.452 3.353 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc2c1OCCO2 ZINC000192933721 497251155 /nfs/dbraw/zinc/25/11/55/497251155.db2.gz HXZHKRMPWGAYMD-GOSISDBHSA-N 2 1 368.477 3.078 20 0 FGADMP C[C@@H]1C[NH+](Cc2cccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)c2)C[C@@H](C)O1 ZINC000237583885 497259711 /nfs/dbraw/zinc/25/97/11/497259711.db2.gz WGPREPPDZQWSJG-WDMKGZBDSA-N 2 1 371.525 3.155 20 0 FGADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000574972488 505895116 /nfs/dbraw/zinc/89/51/16/505895116.db2.gz KXMMCBFSMFDCQC-IVAOSVALSA-N 2 1 354.498 3.206 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)C[C@H](C)O1 ZINC000237641263 497267429 /nfs/dbraw/zinc/26/74/29/497267429.db2.gz SFXDZPCRLJRZJW-IYBDPMFKSA-N 2 1 353.466 3.007 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)C[C@H](C)O1 ZINC000237641263 497267432 /nfs/dbraw/zinc/26/74/32/497267432.db2.gz SFXDZPCRLJRZJW-IYBDPMFKSA-N 2 1 353.466 3.007 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000252202310 497297691 /nfs/dbraw/zinc/29/76/91/497297691.db2.gz WMWOMEOCHMCJTL-VVLHAWIVSA-N 2 1 366.575 3.016 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)N(C)CC2([NH+](C)C)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000189948798 497303194 /nfs/dbraw/zinc/30/31/94/497303194.db2.gz CFVPSUGJPMOERF-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000237891583 497309321 /nfs/dbraw/zinc/30/93/21/497309321.db2.gz LWXIAWYXJGZRQW-KBPBESRZSA-N 2 1 370.324 3.201 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000252663255 497316694 /nfs/dbraw/zinc/31/66/94/497316694.db2.gz SKSKGACQAQDVLX-IIDMSEBBSA-N 2 1 360.889 3.124 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000253191035 497323972 /nfs/dbraw/zinc/32/39/72/497323972.db2.gz UEIVISDIPPNGHN-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1)c1ccccc1 ZINC000238009973 497327027 /nfs/dbraw/zinc/32/70/27/497327027.db2.gz ILRSQLDIHWSLEE-FKBYEOEOSA-N 2 1 363.505 3.200 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000193293894 497342384 /nfs/dbraw/zinc/34/23/84/497342384.db2.gz KUXDWOJAVBJZHD-NQIIRXRSSA-N 2 1 360.542 3.281 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000271426016 497345410 /nfs/dbraw/zinc/34/54/10/497345410.db2.gz AGUNTRRCXAJDAZ-HMXCVIKNSA-N 2 1 350.510 3.161 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCN(c2ccccn2)C1 ZINC000271426016 497345416 /nfs/dbraw/zinc/34/54/16/497345416.db2.gz AGUNTRRCXAJDAZ-HMXCVIKNSA-N 2 1 350.510 3.161 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1OC(F)F ZINC000271484968 497361067 /nfs/dbraw/zinc/36/10/67/497361067.db2.gz JLWBWFLREQKJJO-ZLIFDBKOSA-N 2 1 372.431 3.456 20 0 FGADMP CC[N@H+](Cc1nnc2n1CCCCC2)CC1CCN(c2ccccn2)CC1 ZINC000266652218 497390238 /nfs/dbraw/zinc/39/02/38/497390238.db2.gz ZCYKADMHROEWFR-UHFFFAOYSA-N 2 1 368.529 3.138 20 0 FGADMP CCN(Cc1nnc2n1CCCCC2)CC1CCN(c2ccccn2)CC1 ZINC000266652218 497390243 /nfs/dbraw/zinc/39/02/43/497390243.db2.gz ZCYKADMHROEWFR-UHFFFAOYSA-N 2 1 368.529 3.138 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000245432057 497402510 /nfs/dbraw/zinc/40/25/10/497402510.db2.gz NQYNUFIGCJFZPZ-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000245432057 497402512 /nfs/dbraw/zinc/40/25/12/497402512.db2.gz NQYNUFIGCJFZPZ-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000245432057 497402516 /nfs/dbraw/zinc/40/25/16/497402516.db2.gz NQYNUFIGCJFZPZ-FUHWJXTLSA-N 2 1 366.575 3.162 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000245440543 497408640 /nfs/dbraw/zinc/40/86/40/497408640.db2.gz UPWWCINFVRNZQK-VTJJLDLQSA-N 2 1 361.574 3.124 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275725316 497413599 /nfs/dbraw/zinc/41/35/99/497413599.db2.gz WOINCEDMPZZKEX-FQEVSTJZSA-N 2 1 366.509 3.187 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)C(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000245464372 497420050 /nfs/dbraw/zinc/42/00/50/497420050.db2.gz XXYYVRBEPAXPOB-KGLIPLIRSA-N 2 1 357.420 3.306 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000245607342 497471014 /nfs/dbraw/zinc/47/10/14/497471014.db2.gz APLNWQAHUUAZEA-HLAWJBBLSA-N 2 1 372.557 3.099 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1 ZINC000245607342 497471020 /nfs/dbraw/zinc/47/10/20/497471020.db2.gz APLNWQAHUUAZEA-HLAWJBBLSA-N 2 1 372.557 3.099 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000193775751 497478038 /nfs/dbraw/zinc/47/80/38/497478038.db2.gz AZPAOPZMVWVYHV-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000271913489 497485627 /nfs/dbraw/zinc/48/56/27/497485627.db2.gz YIRSAUKRQKXVMA-UHFFFAOYSA-N 2 1 351.897 3.295 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000276035277 497486014 /nfs/dbraw/zinc/48/60/14/497486014.db2.gz RQXMVPNFBRQRGQ-NRFANRHFSA-N 2 1 374.573 3.264 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1)C1CC1 ZINC000262027304 497495465 /nfs/dbraw/zinc/49/54/65/497495465.db2.gz BBOPEWKYVZCROO-QFIPXVFZSA-N 2 1 363.505 3.288 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCCOC2CCOCC2)C3)cc1 ZINC000245677015 497498516 /nfs/dbraw/zinc/49/85/16/497498516.db2.gz IDURQBJBAYLDRS-MZADTFQBSA-N 2 1 358.526 3.357 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000245677806 497498671 /nfs/dbraw/zinc/49/86/71/497498671.db2.gz UIOYKBPIZUYEPD-GIVPXCGWSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1 ZINC000245677806 497498675 /nfs/dbraw/zinc/49/86/75/497498675.db2.gz UIOYKBPIZUYEPD-GIVPXCGWSA-N 2 1 372.557 3.243 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1 ZINC000245677806 497498679 /nfs/dbraw/zinc/49/86/79/497498679.db2.gz UIOYKBPIZUYEPD-GIVPXCGWSA-N 2 1 372.557 3.243 20 0 FGADMP COc1ccnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1OC ZINC000190506011 497508757 /nfs/dbraw/zinc/50/87/57/497508757.db2.gz PCRMUFHPTBLJEC-UHFFFAOYSA-N 2 1 369.509 3.443 20 0 FGADMP c1cc(-c2nc3ccccc3s2)oc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110217 497509474 /nfs/dbraw/zinc/50/94/74/497509474.db2.gz KISOCOBDBGDNGA-HNNXBMFYSA-N 2 1 368.506 3.036 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262119787 497510635 /nfs/dbraw/zinc/51/06/35/497510635.db2.gz JMTJRVGBANUVMJ-ULQDDVLXSA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262119787 497510640 /nfs/dbraw/zinc/51/06/40/497510640.db2.gz JMTJRVGBANUVMJ-ULQDDVLXSA-N 2 1 355.885 3.102 20 0 FGADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262117920 497510897 /nfs/dbraw/zinc/51/08/97/497510897.db2.gz BRWAOLHPEJPGAE-ZYSHUDEJSA-N 2 1 363.933 3.371 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262136159 497514397 /nfs/dbraw/zinc/51/43/97/497514397.db2.gz YQCXTWYIMOYBDY-QFIPXVFZSA-N 2 1 352.526 3.414 20 0 FGADMP CC(C)(C)c1nn(Cc2ccccc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262136159 497514403 /nfs/dbraw/zinc/51/44/03/497514403.db2.gz YQCXTWYIMOYBDY-QFIPXVFZSA-N 2 1 352.526 3.414 20 0 FGADMP COc1ccnc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000190613091 497545403 /nfs/dbraw/zinc/54/54/03/497545403.db2.gz SHNHCDQCOXXUBY-GOSISDBHSA-N 2 1 355.482 3.053 20 0 FGADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000279843362 497561166 /nfs/dbraw/zinc/56/11/66/497561166.db2.gz ZYIZFKDKBXDIJA-IIBYNOLFSA-N 2 1 354.498 3.428 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000272223084 497568987 /nfs/dbraw/zinc/56/89/87/497568987.db2.gz AJHHZQPOIQGWAD-NQSCKRDGSA-N 2 1 354.494 3.229 20 0 FGADMP CN(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000272281150 497585423 /nfs/dbraw/zinc/58/54/23/497585423.db2.gz ACOKLQHIVGVNQM-BCDXTJNWSA-N 2 1 355.448 3.266 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246010644 497595877 /nfs/dbraw/zinc/59/58/77/497595877.db2.gz ZKHNFOAACFQJSB-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000246010644 497595881 /nfs/dbraw/zinc/59/58/81/497595881.db2.gz ZKHNFOAACFQJSB-ROUUACIJSA-N 2 1 354.498 3.319 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000262676509 497598259 /nfs/dbraw/zinc/59/82/59/497598259.db2.gz SOVBVZNYXKSMGC-CROMKPASSA-N 2 1 369.553 3.419 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)cc1 ZINC000262683456 497599987 /nfs/dbraw/zinc/59/99/87/497599987.db2.gz WYGAVGLQWMTUSO-LEWJYISDSA-N 2 1 351.494 3.257 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262737735 497612683 /nfs/dbraw/zinc/61/26/83/497612683.db2.gz CHISMUQOCFWILC-IRLDBZIGSA-N 2 1 357.542 3.265 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194289228 497624779 /nfs/dbraw/zinc/62/47/79/497624779.db2.gz PDCYPXPVUCKARV-SFHVURJKSA-N 2 1 357.502 3.048 20 0 FGADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538783 497655618 /nfs/dbraw/zinc/65/56/18/497655618.db2.gz CEYSSPCXFHLFDO-VQIMIIECSA-N 2 1 370.493 3.410 20 0 FGADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216789 497663655 /nfs/dbraw/zinc/66/36/55/497663655.db2.gz PVUQJBAXEDWADL-GJZGRUSLSA-N 2 1 373.324 3.151 20 0 FGADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246216789 497663663 /nfs/dbraw/zinc/66/36/63/497663663.db2.gz PVUQJBAXEDWADL-GJZGRUSLSA-N 2 1 373.324 3.151 20 0 FGADMP CCN(C)c1ccc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000191010626 497682255 /nfs/dbraw/zinc/68/22/55/497682255.db2.gz UWNFZFMBEPZAJV-UHFFFAOYSA-N 2 1 371.529 3.144 20 0 FGADMP CCc1nc2c(s1)[C@H]([NH2+]C1CC[NH+]([C@@H]3CCCC[C@H]3O)CC1)CCC2 ZINC000246322663 497695612 /nfs/dbraw/zinc/69/56/12/497695612.db2.gz FNMUMJZCLYIMFE-KBAYOESNSA-N 2 1 363.571 3.440 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000272721683 497712509 /nfs/dbraw/zinc/71/25/09/497712509.db2.gz JFJFWRQYMBPSJD-DLBZAZTESA-N 2 1 358.530 3.065 20 0 FGADMP C[C@@H]1CC(O)C[C@@H](C)[NH+]1Cc1cccc(C[N@@H+]2[C@H](C)CC(O)C[C@@H]2C)c1 ZINC000191159068 497727900 /nfs/dbraw/zinc/72/79/00/497727900.db2.gz KYCGOZJJIXMIQK-FVUGJHJHSA-N 2 1 360.542 3.154 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)c2cccc(C[N@H+](C)Cc3ccccc3)c2)CC1 ZINC000194773109 497766173 /nfs/dbraw/zinc/76/61/73/497766173.db2.gz OMVUKHDEIUYBFM-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)CC1 ZINC000194773109 497766178 /nfs/dbraw/zinc/76/61/78/497766178.db2.gz OMVUKHDEIUYBFM-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000246542559 497769769 /nfs/dbraw/zinc/76/97/69/497769769.db2.gz WPGDUCOQZKDVNZ-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000246542559 497769770 /nfs/dbraw/zinc/76/97/70/497769770.db2.gz WPGDUCOQZKDVNZ-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@@H](C)C1 ZINC000246570932 497778424 /nfs/dbraw/zinc/77/84/24/497778424.db2.gz YOSSQVRUUARBKV-ICSRJNTNSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229250 497782954 /nfs/dbraw/zinc/78/29/54/497782954.db2.gz OPARCIWBONVAAF-SNRMKQJTSA-N 2 1 354.922 3.195 20 0 FGADMP FC(F)(F)c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000246689135 497800438 /nfs/dbraw/zinc/80/04/38/497800438.db2.gz MVBKEULSXUHSTI-QYZOEREBSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000246689135 497800441 /nfs/dbraw/zinc/80/04/41/497800441.db2.gz MVBKEULSXUHSTI-QYZOEREBSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689135 497800443 /nfs/dbraw/zinc/80/04/43/497800443.db2.gz MVBKEULSXUHSTI-QYZOEREBSA-N 2 1 367.459 3.496 20 0 FGADMP FC(F)(F)c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000246689135 497800445 /nfs/dbraw/zinc/80/04/45/497800445.db2.gz MVBKEULSXUHSTI-QYZOEREBSA-N 2 1 367.459 3.496 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000246707061 497802606 /nfs/dbraw/zinc/80/26/06/497802606.db2.gz FMBIRSYAFBMERJ-FPOVZHCZSA-N 2 1 355.526 3.156 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000246707061 497802608 /nfs/dbraw/zinc/80/26/08/497802608.db2.gz FMBIRSYAFBMERJ-FPOVZHCZSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000246707061 497802610 /nfs/dbraw/zinc/80/26/10/497802610.db2.gz FMBIRSYAFBMERJ-FPOVZHCZSA-N 2 1 355.526 3.156 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H](c2ccccc2)C1 ZINC000246707061 497802614 /nfs/dbraw/zinc/80/26/14/497802614.db2.gz FMBIRSYAFBMERJ-FPOVZHCZSA-N 2 1 355.526 3.156 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000246791815 497811453 /nfs/dbraw/zinc/81/14/53/497811453.db2.gz AMEHTUXWNLMLSR-ZWKOTPCHSA-N 2 1 360.546 3.242 20 0 FGADMP COCC1=CCN(Cc2cc(C[N@@H+]3CC=C(COC)CC3)ccc2F)CC1 ZINC000295852934 497830093 /nfs/dbraw/zinc/83/00/93/497830093.db2.gz XQMWYUJUBFHUQU-UHFFFAOYSA-N 2 1 374.500 3.383 20 0 FGADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000364270833 497872619 /nfs/dbraw/zinc/87/26/19/497872619.db2.gz GVNVMACJNPDMSM-RCCFBDPRSA-N 2 1 361.534 3.226 20 0 FGADMP [NH3+]C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc2ccccc2c1 ZINC000581240537 505941245 /nfs/dbraw/zinc/94/12/45/505941245.db2.gz JEZNUJRFOJJWNB-PZJWPPBQSA-N 2 1 366.509 3.156 20 0 FGADMP Cc1cc(-n2ccnc2)ccc1CN1CCCN(C(=O)c2ccco2)CC1 ZINC000364471687 497973152 /nfs/dbraw/zinc/97/31/52/497973152.db2.gz HWAHXMCWVLFHCU-UHFFFAOYSA-N 2 1 364.449 3.122 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000292336305 497975484 /nfs/dbraw/zinc/97/54/84/497975484.db2.gz VKDVTSPKMSIZMD-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000292336305 497975489 /nfs/dbraw/zinc/97/54/89/497975489.db2.gz VKDVTSPKMSIZMD-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000292336305 497975495 /nfs/dbraw/zinc/97/54/95/497975495.db2.gz VKDVTSPKMSIZMD-JBACZVJFSA-N 2 1 357.542 3.135 20 0 FGADMP CN(c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)C1CC[NH+](C)CC1 ZINC000581310914 505958202 /nfs/dbraw/zinc/95/82/02/505958202.db2.gz TVDFOEGUAHPMTA-UXHICEINSA-N 3 1 370.585 3.039 20 0 FGADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519153 505959365 /nfs/dbraw/zinc/95/93/65/505959365.db2.gz QIHFFVRISQNBLR-RBUKOAKNSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519153 505959367 /nfs/dbraw/zinc/95/93/67/505959367.db2.gz QIHFFVRISQNBLR-RBUKOAKNSA-N 2 1 354.922 3.100 20 0 FGADMP Cc1ccccc1[C@@H](N)C(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000296341605 498005148 /nfs/dbraw/zinc/00/51/48/498005148.db2.gz IKGJPELTZHOJPE-QGZVFWFLSA-N 2 1 358.511 3.322 20 0 FGADMP CSc1cc2c(cc1C[N@H+](C)C[C@H]1CCc3[nH+]ccn3C1)OCCO2 ZINC000364672422 498081988 /nfs/dbraw/zinc/08/19/88/498081988.db2.gz MDTRDMHWTTYDRX-CQSZACIVSA-N 2 1 359.495 3.071 20 0 FGADMP CSc1cc2c(cc1C[N@@H+](C)C[C@H]1CCc3[nH+]ccn3C1)OCCO2 ZINC000364672422 498081993 /nfs/dbraw/zinc/08/19/93/498081993.db2.gz MDTRDMHWTTYDRX-CQSZACIVSA-N 2 1 359.495 3.071 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000581403062 505980743 /nfs/dbraw/zinc/98/07/43/505980743.db2.gz ZCQPLXDXDVAXFE-NUJGCVRESA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000581403062 505980745 /nfs/dbraw/zinc/98/07/45/505980745.db2.gz ZCQPLXDXDVAXFE-NUJGCVRESA-N 2 1 366.575 3.159 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000581403062 505980748 /nfs/dbraw/zinc/98/07/48/505980748.db2.gz ZCQPLXDXDVAXFE-NUJGCVRESA-N 2 1 366.575 3.159 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000578619156 505982988 /nfs/dbraw/zinc/98/29/88/505982988.db2.gz BZQVKNOJIXLCQL-KBPBESRZSA-N 2 1 361.313 3.055 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285560843 498129727 /nfs/dbraw/zinc/12/97/27/498129727.db2.gz RPCLRDHTXZOZQL-UJJTZGENSA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285560843 498129738 /nfs/dbraw/zinc/12/97/38/498129738.db2.gz RPCLRDHTXZOZQL-UJJTZGENSA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccc(C(F)(F)F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285560843 498129731 /nfs/dbraw/zinc/12/97/31/498129731.db2.gz RPCLRDHTXZOZQL-UJJTZGENSA-N 2 1 356.432 3.166 20 0 FGADMP [NH3+]Cc1ccc(CNC(=O)Nc2ccccc2C[NH+]2CCSCC2)cc1 ZINC000578626299 505984194 /nfs/dbraw/zinc/98/41/94/505984194.db2.gz ILJGWFKECSSDBL-UHFFFAOYSA-N 2 1 370.522 3.016 20 0 FGADMP COc1cc2[nH+]c(NC3CC[NH+](C4CCCC4)CC3)nc(N)c2cc1OC ZINC000301523379 498147137 /nfs/dbraw/zinc/14/71/37/498147137.db2.gz HWWMYLDIRRSMHG-UHFFFAOYSA-N 2 1 371.485 3.048 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000572526045 505989215 /nfs/dbraw/zinc/98/92/15/505989215.db2.gz YHKJPKXOJYWVJL-QZTJIDSGSA-N 2 1 365.468 3.266 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000572526045 505989220 /nfs/dbraw/zinc/98/92/20/505989220.db2.gz YHKJPKXOJYWVJL-QZTJIDSGSA-N 2 1 365.468 3.266 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292848892 498170053 /nfs/dbraw/zinc/17/00/53/498170053.db2.gz BSRODIZXQRDAHB-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289585686 498204316 /nfs/dbraw/zinc/20/43/16/498204316.db2.gz IFWZCBCZMULQIX-HZEGPAAWSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCCO[C@@H]1c1nccn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289585696 498204609 /nfs/dbraw/zinc/20/46/09/498204609.db2.gz IFWZCBCZMULQIX-PBASOCQRSA-N 2 1 368.525 3.140 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)c1ccc(Cl)cc1 ZINC000575759097 505998357 /nfs/dbraw/zinc/99/83/57/505998357.db2.gz KTDJFCPNZCKBMR-IEBWSBKVSA-N 2 1 363.933 3.133 20 0 FGADMP OCC1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOCC1 ZINC000285924216 498242270 /nfs/dbraw/zinc/24/22/70/498242270.db2.gz CNVJNMODKIDQND-FDFHNCONSA-N 2 1 372.553 3.056 20 0 FGADMP Cc1cc(Br)cn2c(C[N@@H+](C)CC3CC[NH+](C)CC3)cnc12 ZINC000581514158 506005116 /nfs/dbraw/zinc/00/51/16/506005116.db2.gz ZZCPLBDUVKPDBU-UHFFFAOYSA-N 2 1 365.319 3.179 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)n1cncn1 ZINC000289828062 498312816 /nfs/dbraw/zinc/31/28/16/498312816.db2.gz QDXUTAKOQROCEC-OHSMVPPVSA-N 2 1 353.514 3.187 20 0 FGADMP OC[C@]1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000289836896 498317245 /nfs/dbraw/zinc/31/72/45/498317245.db2.gz MYWNVIQSWPQFGR-XZOQPEGZSA-N 2 1 350.506 3.407 20 0 FGADMP Cc1nn2c(C[NH2+][C@@H](C)[C@H]3CC[N@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125520 498348085 /nfs/dbraw/zinc/34/80/85/498348085.db2.gz SWOMVPRQNDWZBB-KSSFIOAISA-N 2 1 369.538 3.408 20 0 FGADMP Cc1nn2c(C[NH2+][C@@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)c(C)nc2s1 ZINC000361125520 498348086 /nfs/dbraw/zinc/34/80/86/498348086.db2.gz SWOMVPRQNDWZBB-KSSFIOAISA-N 2 1 369.538 3.408 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578806401 506025341 /nfs/dbraw/zinc/02/53/41/506025341.db2.gz OPXSPOLXWYGATM-HFSMHLIXSA-N 2 1 357.542 3.449 20 0 FGADMP CCN1CC[C@@H]([NH2+]CCCc2c[nH+]cn2C)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000581615766 506028922 /nfs/dbraw/zinc/02/89/22/506028922.db2.gz SDTNIRNIFCUVJS-MJGOQNOKSA-N 2 1 366.431 3.195 20 0 FGADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000581623605 506029778 /nfs/dbraw/zinc/02/97/78/506029778.db2.gz ULQSOZAXIRQAGS-LJQANCHMSA-N 2 1 360.567 3.400 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1)C2 ZINC000290097450 498427743 /nfs/dbraw/zinc/42/77/43/498427743.db2.gz HSZIRYAOPIZPQD-PZJWPPBQSA-N 2 1 366.509 3.016 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635303 506032867 /nfs/dbraw/zinc/03/28/67/506032867.db2.gz ZQMKCGXACMHWCT-SUMWQHHRSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635303 506032869 /nfs/dbraw/zinc/03/28/69/506032869.db2.gz ZQMKCGXACMHWCT-SUMWQHHRSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635303 506032871 /nfs/dbraw/zinc/03/28/71/506032871.db2.gz ZQMKCGXACMHWCT-SUMWQHHRSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635303 506032873 /nfs/dbraw/zinc/03/28/73/506032873.db2.gz ZQMKCGXACMHWCT-SUMWQHHRSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635303 506032875 /nfs/dbraw/zinc/03/28/75/506032875.db2.gz ZQMKCGXACMHWCT-SUMWQHHRSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635303 506032877 /nfs/dbraw/zinc/03/28/77/506032877.db2.gz ZQMKCGXACMHWCT-SUMWQHHRSA-N 2 1 365.315 3.497 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000365393281 498441518 /nfs/dbraw/zinc/44/15/18/498441518.db2.gz QHSHZYVNPRKMCE-YDETXVTLSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+](CCCC[N@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000365393281 498441521 /nfs/dbraw/zinc/44/15/21/498441521.db2.gz QHSHZYVNPRKMCE-YDETXVTLSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+](CCCC[N@@H+](C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000365393281 498441528 /nfs/dbraw/zinc/44/15/28/498441528.db2.gz QHSHZYVNPRKMCE-YDETXVTLSA-N 2 1 364.574 3.257 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2scnc2C2CC2)c2cccs2)CC1 ZINC000575928776 506034847 /nfs/dbraw/zinc/03/48/47/506034847.db2.gz BOAHZMVJYWKSMK-HNNXBMFYSA-N 2 1 362.568 3.160 20 0 FGADMP Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423756 498444326 /nfs/dbraw/zinc/44/43/26/498444326.db2.gz AEDSJPMHMROUJH-FPOVZHCZSA-N 2 1 373.460 3.024 20 0 FGADMP Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC000297423756 498444328 /nfs/dbraw/zinc/44/43/28/498444328.db2.gz AEDSJPMHMROUJH-FPOVZHCZSA-N 2 1 373.460 3.024 20 0 FGADMP CC[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)c1ccc(C(=O)OC)cc1 ZINC000293756538 498478756 /nfs/dbraw/zinc/47/87/56/498478756.db2.gz OQCQBKJMRJSHOI-IBGZPJMESA-N 2 1 360.498 3.159 20 0 FGADMP COc1cccc(OC)c1OCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000290253003 498483558 /nfs/dbraw/zinc/48/35/58/498483558.db2.gz KAEQSPLZZRABJC-ROUUACIJSA-N 2 1 362.514 3.279 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293824735 498501767 /nfs/dbraw/zinc/50/17/67/498501767.db2.gz AHMCLVAEBHNSDO-NRFANRHFSA-N 2 1 367.537 3.128 20 0 FGADMP Cc1cc(C[N@H+](Cc2ccco2)C2CCN(C)CC2)ccc1-n1cncn1 ZINC000290330406 498510111 /nfs/dbraw/zinc/51/01/11/498510111.db2.gz DRQIIEUYDRIZKC-UHFFFAOYSA-N 2 1 365.481 3.265 20 0 FGADMP c1ccc(-c2ccc(N3CCC[N@@H+](CCC[NH+]4CCCC4)CC3)nn2)cc1 ZINC000362455860 498520409 /nfs/dbraw/zinc/52/04/09/498520409.db2.gz QSGGAWHFZWWEFV-UHFFFAOYSA-N 2 1 365.525 3.142 20 0 FGADMP c1ccc(-c2ccc(N3CCC[N@H+](CCC[NH+]4CCCC4)CC3)nn2)cc1 ZINC000362455860 498520417 /nfs/dbraw/zinc/52/04/17/498520417.db2.gz QSGGAWHFZWWEFV-UHFFFAOYSA-N 2 1 365.525 3.142 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)[C@H](C)C1 ZINC000282494821 498533755 /nfs/dbraw/zinc/53/37/55/498533755.db2.gz XROIMBFDUIVXKC-HLIPFELVSA-N 2 1 355.526 3.362 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(F)cc1)C2 ZINC000365581121 498541444 /nfs/dbraw/zinc/54/14/44/498541444.db2.gz MHOVFPWLIFFEAI-MRXNPFEDSA-N 2 1 372.488 3.025 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC000365581121 498541448 /nfs/dbraw/zinc/54/14/48/498541448.db2.gz MHOVFPWLIFFEAI-MRXNPFEDSA-N 2 1 372.488 3.025 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000581715222 506051982 /nfs/dbraw/zinc/05/19/82/506051982.db2.gz HGYAHHYVCARXMW-OALUTQOASA-N 2 1 372.557 3.189 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297775610 498563893 /nfs/dbraw/zinc/56/38/93/498563893.db2.gz VVHPTFKBUVLXJC-UHFFFAOYSA-N 2 1 365.905 3.202 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)Nc1cccc2c1CC[NH2+]C2 ZINC000572823075 506060688 /nfs/dbraw/zinc/06/06/88/506060688.db2.gz HTZVVWMZRQHJJM-SFHVURJKSA-N 2 1 356.514 3.251 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000363041572 498617256 /nfs/dbraw/zinc/61/72/56/498617256.db2.gz UPSHBEGTGJWXNP-IHWFROFDSA-N 2 1 364.578 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000363041572 498617261 /nfs/dbraw/zinc/61/72/61/498617261.db2.gz UPSHBEGTGJWXNP-IHWFROFDSA-N 2 1 364.578 3.013 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000363041572 498617265 /nfs/dbraw/zinc/61/72/65/498617265.db2.gz UPSHBEGTGJWXNP-IHWFROFDSA-N 2 1 364.578 3.013 20 0 FGADMP C[C@H]1C[N@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365795874 498644802 /nfs/dbraw/zinc/64/48/02/498644802.db2.gz OHXSSEZMMJJBSS-JXFKEZNVSA-N 2 1 367.940 3.370 20 0 FGADMP C[C@H]1C[N@@H+](CCCc2c(F)cccc2Cl)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365795874 498644808 /nfs/dbraw/zinc/64/48/08/498644808.db2.gz OHXSSEZMMJJBSS-JXFKEZNVSA-N 2 1 367.940 3.370 20 0 FGADMP O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303215060 498656351 /nfs/dbraw/zinc/65/63/51/498656351.db2.gz SUIXJASQCQQRJC-AZUAARDMSA-N 2 1 364.505 3.153 20 0 FGADMP O[C@@H](COc1ccc(F)cc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000303215060 498656356 /nfs/dbraw/zinc/65/63/56/498656356.db2.gz SUIXJASQCQQRJC-AZUAARDMSA-N 2 1 364.505 3.153 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000365826340 498657199 /nfs/dbraw/zinc/65/71/99/498657199.db2.gz PSYGZARDRHVDIY-SFHVURJKSA-N 2 1 369.557 3.154 20 0 FGADMP C[C@@H](CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1)[N@@H+](C)C1CC1 ZINC000303240094 498657281 /nfs/dbraw/zinc/65/72/81/498657281.db2.gz IZULLISGXOMYNB-RXVVDRJESA-N 2 1 372.557 3.242 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122896 498662543 /nfs/dbraw/zinc/66/25/43/498662543.db2.gz VBMAGGYLLPKUAQ-DYESRHJHSA-N 2 1 372.534 3.090 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000363122896 498662553 /nfs/dbraw/zinc/66/25/53/498662553.db2.gz VBMAGGYLLPKUAQ-DYESRHJHSA-N 2 1 372.534 3.090 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)nc1 ZINC000572881828 506074561 /nfs/dbraw/zinc/07/45/61/506074561.db2.gz WWVXKBOSBRXDRW-CTNGQTDRSA-N 2 1 367.493 3.040 20 0 FGADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](N4CC[NH+](C(C)C)CC4)C3)cc2c1 ZINC000576124487 506083369 /nfs/dbraw/zinc/08/33/69/506083369.db2.gz HGLFNTNKWVGMKJ-NRFANRHFSA-N 2 1 352.526 3.144 20 0 FGADMP Ic1cccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000310984891 498748580 /nfs/dbraw/zinc/74/85/80/498748580.db2.gz KFFZYIPZNKLAHA-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000310984891 498748584 /nfs/dbraw/zinc/74/85/84/498748584.db2.gz KFFZYIPZNKLAHA-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP Ic1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000310984891 498748592 /nfs/dbraw/zinc/74/85/92/498748592.db2.gz KFFZYIPZNKLAHA-HUUCEWRRSA-N 2 1 356.251 3.008 20 0 FGADMP C[C@H](N(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1(C)CC1 ZINC000363317887 498758992 /nfs/dbraw/zinc/75/89/92/498758992.db2.gz HLFGOZQLUMOTED-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000312592141 498760074 /nfs/dbraw/zinc/76/00/74/498760074.db2.gz XDHWKAMZKOAMCI-KSEOMHKRSA-N 2 1 368.521 3.235 20 0 FGADMP C[C@@H]1CN(Cc2ccccc2NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)C[C@H](C)O1 ZINC000363354567 498776318 /nfs/dbraw/zinc/77/63/18/498776318.db2.gz CGJNKSJSXPEPPD-PIKOESSRSA-N 2 1 371.525 3.109 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000316938731 498790705 /nfs/dbraw/zinc/79/07/05/498790705.db2.gz GQXJCRFXVWVFOB-GXTWGEPZSA-N 2 1 369.303 3.183 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000316938731 498790709 /nfs/dbraw/zinc/79/07/09/498790709.db2.gz GQXJCRFXVWVFOB-GXTWGEPZSA-N 2 1 369.303 3.183 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)cc1 ZINC000283189512 498810639 /nfs/dbraw/zinc/81/06/39/498810639.db2.gz KLPLSNNIMLUJQQ-LRQRDZAKSA-N 2 1 369.509 3.399 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCN(C(=O)c2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000283196876 498813176 /nfs/dbraw/zinc/81/31/76/498813176.db2.gz RCBNUKUCEYLADM-ZVDOUQERSA-N 2 1 369.553 3.391 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cc(C[NH+]3CCCC3)ccc1C)C2 ZINC000291295808 498881887 /nfs/dbraw/zinc/88/18/87/498881887.db2.gz NGJXLESEVZSSDA-SFHVURJKSA-N 2 1 352.482 3.297 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000366416037 498915176 /nfs/dbraw/zinc/91/51/76/498915176.db2.gz DJUOSHBIGBGPAP-ITQYTPKQSA-N 2 1 363.933 3.227 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000570207563 506115569 /nfs/dbraw/zinc/11/55/69/506115569.db2.gz MHZYKLQDKFUBQX-DUXKGJEZSA-N 2 1 365.521 3.492 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000288283800 498984478 /nfs/dbraw/zinc/98/44/78/498984478.db2.gz XDTUWOPPERVCFD-WAOWUJCRSA-N 2 1 372.557 3.021 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301535 506125348 /nfs/dbraw/zinc/12/53/48/506125348.db2.gz ZXSRUJIXQMPYMF-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576301535 506125351 /nfs/dbraw/zinc/12/53/51/506125351.db2.gz ZXSRUJIXQMPYMF-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576301535 506125355 /nfs/dbraw/zinc/12/53/55/506125355.db2.gz ZXSRUJIXQMPYMF-UGKGYDQZSA-N 2 1 372.557 3.024 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000284227747 499071881 /nfs/dbraw/zinc/07/18/81/499071881.db2.gz UKVLVBRZCYYSGY-PMOQBDJRSA-N 2 1 366.505 3.242 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCCc2ccc(O)cc21 ZINC000284227747 499071885 /nfs/dbraw/zinc/07/18/85/499071885.db2.gz UKVLVBRZCYYSGY-PMOQBDJRSA-N 2 1 366.505 3.242 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000576327806 506131520 /nfs/dbraw/zinc/13/15/20/506131520.db2.gz CBMXVFVAMWLOSY-MJGOQNOKSA-N 2 1 367.497 3.271 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366911482 499113753 /nfs/dbraw/zinc/11/37/53/499113753.db2.gz JUOYERZJOCKHGT-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366911482 499113756 /nfs/dbraw/zinc/11/37/56/499113756.db2.gz JUOYERZJOCKHGT-CQSZACIVSA-N 2 1 351.441 3.100 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372521183 499138039 /nfs/dbraw/zinc/13/80/39/499138039.db2.gz IMUPARCVQWQGIE-KPFFTGBYSA-N 2 1 352.482 3.033 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372521183 499138041 /nfs/dbraw/zinc/13/80/41/499138041.db2.gz IMUPARCVQWQGIE-KPFFTGBYSA-N 2 1 352.482 3.033 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](F)(c3ccc(F)cc3)C2)CC1 ZINC000370004925 499165078 /nfs/dbraw/zinc/16/50/78/499165078.db2.gz FGDGCJNSJXCXKO-FQEVSTJZSA-N 2 1 351.485 3.112 20 0 FGADMP C[C@@H](c1nc(-c2cccnc2)no1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367308865 499178104 /nfs/dbraw/zinc/17/81/04/499178104.db2.gz FQGOTTXQZRPAFR-DOTOQJQBSA-N 2 1 367.497 3.389 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812670 499178750 /nfs/dbraw/zinc/17/87/50/499178750.db2.gz QLHJFYRQQUGJIC-RLLQIKCJSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812670 499178753 /nfs/dbraw/zinc/17/87/53/499178753.db2.gz QLHJFYRQQUGJIC-RLLQIKCJSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812670 499178755 /nfs/dbraw/zinc/17/87/55/499178755.db2.gz QLHJFYRQQUGJIC-RLLQIKCJSA-N 2 1 356.510 3.315 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1 ZINC000372812670 499178758 /nfs/dbraw/zinc/17/87/58/499178758.db2.gz QLHJFYRQQUGJIC-RLLQIKCJSA-N 2 1 356.510 3.315 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)c(C)nc2s1 ZINC000367334947 499183522 /nfs/dbraw/zinc/18/35/22/499183522.db2.gz SLFWGUHTFSCHCI-FUHWJXTLSA-N 2 1 355.511 3.190 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@H+](C)[C@@H]3c3ccccc3)c(C)nc2s1 ZINC000367334947 499183524 /nfs/dbraw/zinc/18/35/24/499183524.db2.gz SLFWGUHTFSCHCI-FUHWJXTLSA-N 2 1 355.511 3.190 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)CC1 ZINC000367374458 499190394 /nfs/dbraw/zinc/19/03/94/499190394.db2.gz IOJOCDKWOCDODN-NHCUHLMSSA-N 2 1 355.526 3.127 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000370163119 499190607 /nfs/dbraw/zinc/19/06/07/499190607.db2.gz RDRKNGSMPORERC-AZUAARDMSA-N 2 1 368.525 3.423 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370163119 499190610 /nfs/dbraw/zinc/19/06/10/499190610.db2.gz RDRKNGSMPORERC-AZUAARDMSA-N 2 1 368.525 3.423 20 0 FGADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000370217514 499198597 /nfs/dbraw/zinc/19/85/97/499198597.db2.gz YRUDMPFFXCEJRC-UHFFFAOYSA-N 2 1 363.571 3.325 20 0 FGADMP CCC(CC)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370266875 499203968 /nfs/dbraw/zinc/20/39/68/499203968.db2.gz WRJJUGXAHKDJFR-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP c1cn(-c2ccc(C[NH2+]C3CCN(CCc4ccccc4)CC3)cn2)cn1 ZINC000370289655 499206392 /nfs/dbraw/zinc/20/63/92/499206392.db2.gz KAWDGDJJLKKGBP-UHFFFAOYSA-N 2 1 361.493 3.064 20 0 FGADMP CC(=O)Nc1ccccc1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000370406939 499217365 /nfs/dbraw/zinc/21/73/65/499217365.db2.gz OQWOEOJGRQDTQK-FPOVZHCZSA-N 2 1 352.482 3.165 20 0 FGADMP CC(=O)Nc1ccccc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370406939 499217367 /nfs/dbraw/zinc/21/73/67/499217367.db2.gz OQWOEOJGRQDTQK-FPOVZHCZSA-N 2 1 352.482 3.165 20 0 FGADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502220 499226462 /nfs/dbraw/zinc/22/64/62/499226462.db2.gz AYQUPNZCPAPNNT-GOSISDBHSA-N 2 1 368.525 3.190 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502220 499226464 /nfs/dbraw/zinc/22/64/64/499226464.db2.gz AYQUPNZCPAPNNT-GOSISDBHSA-N 2 1 368.525 3.190 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502220 499226466 /nfs/dbraw/zinc/22/64/66/499226466.db2.gz AYQUPNZCPAPNNT-GOSISDBHSA-N 2 1 368.525 3.190 20 0 FGADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(C(=O)c2c[nH]c3ccccc23)CC1 ZINC000370502220 499226468 /nfs/dbraw/zinc/22/64/68/499226468.db2.gz AYQUPNZCPAPNNT-GOSISDBHSA-N 2 1 368.525 3.190 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]3CCCO3)C[C@@H]1C)CCCO2 ZINC000370615487 499235709 /nfs/dbraw/zinc/23/57/09/499235709.db2.gz DRQNJLMWOHTSTI-XIGKFDRGSA-N 2 1 374.525 3.388 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]1C)CCCO2 ZINC000370615487 499235711 /nfs/dbraw/zinc/23/57/11/499235711.db2.gz DRQNJLMWOHTSTI-XIGKFDRGSA-N 2 1 374.525 3.388 20 0 FGADMP c1cc(C[NH+]2CCC[C@]23CCOC3)cc(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000370725303 499248332 /nfs/dbraw/zinc/24/83/32/499248332.db2.gz QWNGBUOCRCMENZ-FGZHOGPDSA-N 2 1 356.510 3.196 20 0 FGADMP C[C@@H]1C[N@@H+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730544 499249212 /nfs/dbraw/zinc/24/92/12/499249212.db2.gz OYRGDLAATPHQIK-XBYSBRQOSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC000370730544 499249213 /nfs/dbraw/zinc/24/92/13/499249213.db2.gz OYRGDLAATPHQIK-XBYSBRQOSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@@H]1C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000370730544 499249215 /nfs/dbraw/zinc/24/92/15/499249215.db2.gz OYRGDLAATPHQIK-XBYSBRQOSA-N 2 1 371.569 3.273 20 0 FGADMP C[NH2+]CCCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370775629 499253470 /nfs/dbraw/zinc/25/34/70/499253470.db2.gz WYENJKFOSKOQHC-QAPCUYQASA-N 2 1 371.447 3.204 20 0 FGADMP C[C@@H]1[C@@H](C)CCCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371071877 499285982 /nfs/dbraw/zinc/28/59/82/499285982.db2.gz FNSGJUGIVHBSIW-ZWKOTPCHSA-N 2 1 364.578 3.013 20 0 FGADMP CN(Cc1ccccc1)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371080620 499286922 /nfs/dbraw/zinc/28/69/22/499286922.db2.gz MTAGSUOUADHYMG-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP c1ccc2sc(N3CCC([NH2+][C@H]4CC[N@H+]5CCC[C@H]5C4)CC3)nc2c1 ZINC000371110533 499289442 /nfs/dbraw/zinc/28/94/42/499289442.db2.gz ZITYZYAJJKQHGJ-IRXDYDNUSA-N 2 1 356.539 3.482 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1C ZINC000368416331 499293623 /nfs/dbraw/zinc/29/36/23/499293623.db2.gz JKLVGPLZQXDQQZ-GSEOLPGOSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@H]3CCCO3)C[C@H]2C)c1C ZINC000368416331 499293625 /nfs/dbraw/zinc/29/36/25/499293625.db2.gz JKLVGPLZQXDQQZ-GSEOLPGOSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1nc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cs1 ZINC000368474139 499299607 /nfs/dbraw/zinc/29/96/07/499299607.db2.gz DHXXCANKTBOXAC-UHFFFAOYSA-N 2 1 364.603 3.122 20 0 FGADMP Cc1nc(CC[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000368474139 499299609 /nfs/dbraw/zinc/29/96/09/499299609.db2.gz DHXXCANKTBOXAC-UHFFFAOYSA-N 3 1 364.603 3.122 20 0 FGADMP Cc1nc(CC[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cs1 ZINC000368474139 499299610 /nfs/dbraw/zinc/29/96/10/499299610.db2.gz DHXXCANKTBOXAC-UHFFFAOYSA-N 3 1 364.603 3.122 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c2ccccc2n1 ZINC000371304249 499307895 /nfs/dbraw/zinc/30/78/95/499307895.db2.gz SDTMHZXYOTUJSG-HTAPYJJXSA-N 2 1 352.526 3.001 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368584256 499310119 /nfs/dbraw/zinc/31/01/19/499310119.db2.gz VUWHJROGFUPOSN-WFASDCNBSA-N 2 1 365.524 3.033 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(C3OCCO3)s2)[C@H]1c1cccs1 ZINC000368584256 499310121 /nfs/dbraw/zinc/31/01/21/499310121.db2.gz VUWHJROGFUPOSN-WFASDCNBSA-N 2 1 365.524 3.033 20 0 FGADMP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368609004 499313422 /nfs/dbraw/zinc/31/34/22/499313422.db2.gz UNECOVSMSWGPFG-SFFUCWETSA-N 2 1 351.535 3.094 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(C[C@H]2C(=O)N2CCCCC2)CC1 ZINC000371443898 499327165 /nfs/dbraw/zinc/32/71/65/499327165.db2.gz UMMOZIMUVFRVOG-IBGZPJMESA-N 2 1 358.530 3.086 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000368844656 499338739 /nfs/dbraw/zinc/33/87/39/499338739.db2.gz HVEGAAKWUWLJSE-YPMHNXCESA-N 2 1 367.280 3.430 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cc(Cl)ccc1Cl)C2 ZINC000368844653 499338966 /nfs/dbraw/zinc/33/89/66/499338966.db2.gz HVEGAAKWUWLJSE-DGCLKSJQSA-N 2 1 367.280 3.430 20 0 FGADMP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000576379554 506144166 /nfs/dbraw/zinc/14/41/66/506144166.db2.gz KWEZONQBIALXLC-LBPRGKRZSA-N 2 1 353.388 3.290 20 0 FGADMP CC(C)c1nccn1[C@H]1CCC[N@H+](Cc2nc(N)c3ccccc3n2)C1 ZINC000369257229 499384189 /nfs/dbraw/zinc/38/41/89/499384189.db2.gz HSLSQQPZXGGTLA-HNNXBMFYSA-N 2 1 350.470 3.199 20 0 FGADMP CC(C)c1ccc(CCC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000369269722 499385709 /nfs/dbraw/zinc/38/57/09/499385709.db2.gz XELXKSQDTIKWPL-HXUWFJFHSA-N 2 1 357.542 3.027 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000371985859 499387039 /nfs/dbraw/zinc/38/70/39/499387039.db2.gz WLPIAARBINHVOX-NDUPCHFUSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000371985859 499387041 /nfs/dbraw/zinc/38/70/41/499387041.db2.gz WLPIAARBINHVOX-NDUPCHFUSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000371985859 499387042 /nfs/dbraw/zinc/38/70/42/499387042.db2.gz WLPIAARBINHVOX-NDUPCHFUSA-N 2 1 362.514 3.244 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000579317846 506145016 /nfs/dbraw/zinc/14/50/16/506145016.db2.gz PKPDZUWDYDGXPQ-UYAOXDASSA-N 2 1 372.582 3.433 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C)CC3)CC2)nc1 ZINC000372085008 499397434 /nfs/dbraw/zinc/39/74/34/499397434.db2.gz AOWVCKYVYCRXKG-SFHVURJKSA-N 2 1 370.541 3.082 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([N@H+]4CCC[C@@H]4C)CC3)CC2)[nH+]c1 ZINC000372085008 499397435 /nfs/dbraw/zinc/39/74/35/499397435.db2.gz AOWVCKYVYCRXKG-SFHVURJKSA-N 2 1 370.541 3.082 20 0 FGADMP Cc1ccc(N2CCC(C(=O)N3CCC([N@@H+]4CCC[C@@H]4C)CC3)CC2)[nH+]c1 ZINC000372085008 499397436 /nfs/dbraw/zinc/39/74/36/499397436.db2.gz AOWVCKYVYCRXKG-SFHVURJKSA-N 2 1 370.541 3.082 20 0 FGADMP C[C@H]1C[N@@H+](CC2CCC(C(F)(F)F)CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372112763 499400435 /nfs/dbraw/zinc/40/04/35/499400435.db2.gz JUNLQOGBKFLROT-FCCDEINASA-N 2 1 361.496 3.313 20 0 FGADMP C[C@@H]([NH2+]CCc1cn2c(n1)CCCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372234387 499411314 /nfs/dbraw/zinc/41/13/14/499411314.db2.gz YCMDHUPDPDAHJU-QUCCMNQESA-N 3 1 352.526 3.262 20 0 FGADMP CCn1c(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)nc2cc(F)ccc21 ZINC000372352934 499424068 /nfs/dbraw/zinc/42/40/68/499424068.db2.gz ASEGJHZGIJPJIY-RYQLBKOJSA-N 2 1 374.504 3.174 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000369706805 499438023 /nfs/dbraw/zinc/43/80/23/499438023.db2.gz NFAYSJHSDKEJNJ-IBGZPJMESA-N 2 1 361.534 3.020 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000369706805 499438024 /nfs/dbraw/zinc/43/80/24/499438024.db2.gz NFAYSJHSDKEJNJ-IBGZPJMESA-N 2 1 361.534 3.020 20 0 FGADMP C[N@@H+](C[C@H]1CC2(CC2)C(=O)O1)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000373025095 499447850 /nfs/dbraw/zinc/44/78/50/499447850.db2.gz KMBPZTGNFWGFHE-LJQANCHMSA-N 2 1 356.510 3.316 20 0 FGADMP Cc1oc(-c2ccccc2)nc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000373179374 499455829 /nfs/dbraw/zinc/45/58/29/499455829.db2.gz ZAZGBAFPZMKYSE-QGZVFWFLSA-N 2 1 368.525 3.250 20 0 FGADMP Cc1oc(-c2ccccc2)nc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000373179374 499455830 /nfs/dbraw/zinc/45/58/30/499455830.db2.gz ZAZGBAFPZMKYSE-QGZVFWFLSA-N 2 1 368.525 3.250 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000375214405 499496174 /nfs/dbraw/zinc/49/61/74/499496174.db2.gz GIAFAWFVYUMAHR-LXPRWKDFSA-N 2 1 361.496 3.315 20 0 FGADMP C[C@@H]1[NH+](C/C=C/C[N@H+]2CCC3(CCOCC3)[C@@H]2C)CCC12CCOCC2 ZINC000375241971 499498398 /nfs/dbraw/zinc/49/83/98/499498398.db2.gz MJTGNJQSKMJLDW-LOKQZNEXSA-N 2 1 362.558 3.325 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ncc(C4CC4)o3)CC2)CC1 ZINC000378324849 499501766 /nfs/dbraw/zinc/50/17/66/499501766.db2.gz YTZLCZUGQYIAFI-UHFFFAOYSA-N 2 1 360.546 3.180 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ncc(C4CC4)o3)CC2)CC1 ZINC000378324849 499501770 /nfs/dbraw/zinc/50/17/70/499501770.db2.gz YTZLCZUGQYIAFI-UHFFFAOYSA-N 2 1 360.546 3.180 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1cc(F)cc3c1OCOC3)CC2)C1CC1 ZINC000378355353 499506054 /nfs/dbraw/zinc/50/60/54/499506054.db2.gz KDIOKAJJBGZBOU-KRWDZBQOSA-N 2 1 360.473 3.389 20 0 FGADMP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+][C@H]2CCc3cn[nH]c3C2)ccc1OC ZINC000378510723 499526035 /nfs/dbraw/zinc/52/60/35/499526035.db2.gz INNAKQAZBCWEFN-BEFAXECRSA-N 2 1 356.514 3.468 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523697 499527826 /nfs/dbraw/zinc/52/78/26/499527826.db2.gz WBHJAJLOXAOVJR-IMFGXOCKSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523697 499527827 /nfs/dbraw/zinc/52/78/27/499527827.db2.gz WBHJAJLOXAOVJR-IMFGXOCKSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2cccs2)CC[N@@H+]1Cc1ccccc1 ZINC000379622627 499542095 /nfs/dbraw/zinc/54/20/95/499542095.db2.gz GYVHAXRMWVBKMW-RLLQIKCJSA-N 2 1 374.550 3.268 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2cccs2)CC[N@H+]1Cc1ccccc1 ZINC000379622627 499542097 /nfs/dbraw/zinc/54/20/97/499542097.db2.gz GYVHAXRMWVBKMW-RLLQIKCJSA-N 2 1 374.550 3.268 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632562 499542310 /nfs/dbraw/zinc/54/23/10/499542310.db2.gz SQKUUAPJMAPZHL-KSEOMHKRSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379632562 499542311 /nfs/dbraw/zinc/54/23/11/499542311.db2.gz SQKUUAPJMAPZHL-KSEOMHKRSA-N 2 1 368.521 3.377 20 0 FGADMP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)cc2CCC1=O ZINC000375691953 499545677 /nfs/dbraw/zinc/54/56/77/499545677.db2.gz KOISEUOXRBLTRX-FQEVSTJZSA-N 2 1 363.505 3.207 20 0 FGADMP C[N@H+](Cc1ccccc1)C1(CNCc2ccc3c(c2)NC(=O)CO3)CCC1 ZINC000386818015 499549166 /nfs/dbraw/zinc/54/91/66/499549166.db2.gz FQENQVQOMBMNED-UHFFFAOYSA-N 2 1 365.477 3.162 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000375740234 499550402 /nfs/dbraw/zinc/55/04/02/499550402.db2.gz FDHFDYHZRHAOBL-SUXRQNKWSA-N 2 1 350.453 3.457 20 0 FGADMP [NH3+][C@@H]1C[C@H](NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c2ccccc21 ZINC000390586231 499554499 /nfs/dbraw/zinc/55/44/99/499554499.db2.gz FOMNDEZJUVGAIO-BWAGFHJFSA-N 2 1 351.494 3.012 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375814145 499558317 /nfs/dbraw/zinc/55/83/17/499558317.db2.gz KUOXUVPYUQDBLO-QAPCUYQASA-N 2 1 371.447 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000375814145 499558319 /nfs/dbraw/zinc/55/83/19/499558319.db2.gz KUOXUVPYUQDBLO-QAPCUYQASA-N 2 1 371.447 3.043 20 0 FGADMP C[C@H](C[NH2+]Cc1cc(Br)cc(Br)c1)C[NH+](C)C ZINC000394584066 499562030 /nfs/dbraw/zinc/56/20/30/499562030.db2.gz VYOHVQBTZIALBA-SNVBAGLBSA-N 2 1 364.125 3.499 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880490 499564350 /nfs/dbraw/zinc/56/43/50/499564350.db2.gz MYFUACFNRBYZHU-HKUYNNGSSA-N 2 1 358.530 3.091 20 0 FGADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000375880490 499564351 /nfs/dbraw/zinc/56/43/51/499564351.db2.gz MYFUACFNRBYZHU-HKUYNNGSSA-N 2 1 358.530 3.091 20 0 FGADMP Cc1ccc(N2CCC[C@H](C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C2)[nH+]c1 ZINC000376085169 499581670 /nfs/dbraw/zinc/58/16/70/499581670.db2.gz VRPHLHZMEIHVCZ-INIZCTEOSA-N 2 1 358.530 3.032 20 0 FGADMP CCOC(=O)c1csc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000376455290 499610222 /nfs/dbraw/zinc/61/02/22/499610222.db2.gz PSTFVUPABJDPGH-MRXNPFEDSA-N 2 1 365.543 3.374 20 0 FGADMP CCOC(=O)c1csc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000376455290 499610224 /nfs/dbraw/zinc/61/02/24/499610224.db2.gz PSTFVUPABJDPGH-MRXNPFEDSA-N 2 1 365.543 3.374 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000376927190 499646999 /nfs/dbraw/zinc/64/69/99/499646999.db2.gz YVMYNKSEFRXWRC-OAQYLSRUSA-N 2 1 351.494 3.272 20 0 FGADMP C[N@@H+](CCN1CC[NH+](CCCCC2CCOCC2)CC1)Cc1ccccc1 ZINC000410369844 499658057 /nfs/dbraw/zinc/65/80/57/499658057.db2.gz QAKMVJCPJKAYDV-UHFFFAOYSA-N 2 1 373.585 3.333 20 0 FGADMP C[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000570382869 506155584 /nfs/dbraw/zinc/15/55/84/506155584.db2.gz NNYVJPZGWGLWQU-FHWLQOOXSA-N 2 1 372.900 3.084 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000570382869 506155588 /nfs/dbraw/zinc/15/55/88/506155588.db2.gz NNYVJPZGWGLWQU-FHWLQOOXSA-N 2 1 372.900 3.084 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000377705222 499723197 /nfs/dbraw/zinc/72/31/97/499723197.db2.gz RXWHVOFMZLENCT-MRXNPFEDSA-N 2 1 360.527 3.005 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](Cc3cnc(-c4ccco4)s3)C2)CC1 ZINC000377705222 499723198 /nfs/dbraw/zinc/72/31/98/499723198.db2.gz RXWHVOFMZLENCT-MRXNPFEDSA-N 2 1 360.527 3.005 20 0 FGADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000377708813 499723441 /nfs/dbraw/zinc/72/34/41/499723441.db2.gz YBLIYAZAZJGIQI-JIMIUWDKSA-N 2 1 359.533 3.390 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CC(c2ccccn2)C1 ZINC000377709054 499723860 /nfs/dbraw/zinc/72/38/60/499723860.db2.gz UIKUGLZJDIHWFE-XVAXZDLZSA-N 2 1 351.494 3.074 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377718976 499724431 /nfs/dbraw/zinc/72/44/31/499724431.db2.gz JYKQODDBQYUQSR-YJBOKZPZSA-N 2 1 362.481 3.324 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CCC[C@H](c3ccnc(N)n3)C2)cc1 ZINC000377718976 499724433 /nfs/dbraw/zinc/72/44/33/499724433.db2.gz JYKQODDBQYUQSR-YJBOKZPZSA-N 2 1 362.481 3.324 20 0 FGADMP CO[C@@H]1CC[C@H]2OCC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000411403006 499735293 /nfs/dbraw/zinc/73/52/93/499735293.db2.gz ADJRPPPZWDGWLC-YPAWHYETSA-N 2 1 358.526 3.441 20 0 FGADMP CO[C@@H]1CC[C@H]2OCC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000411403006 499735295 /nfs/dbraw/zinc/73/52/95/499735295.db2.gz ADJRPPPZWDGWLC-YPAWHYETSA-N 2 1 358.526 3.441 20 0 FGADMP C[C@H]1C[N@@H+](CCn2ccc3cc(Cl)ccc32)CCN1C1CC[NH+](C)CC1 ZINC000377870591 499743778 /nfs/dbraw/zinc/74/37/78/499743778.db2.gz VTRVNWBIZZYXDY-KRWDZBQOSA-N 2 1 374.960 3.395 20 0 FGADMP CN(C)c1ncc(C[N@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000411500333 499747919 /nfs/dbraw/zinc/74/79/19/499747919.db2.gz SOBXAJJUIMSPSK-UHFFFAOYSA-N 2 1 353.514 3.161 20 0 FGADMP CN(C)c1ncc(C[N@@H+](C)Cc2cccc(C[NH+]3CCCCC3)c2)cn1 ZINC000411500333 499747920 /nfs/dbraw/zinc/74/79/20/499747920.db2.gz SOBXAJJUIMSPSK-UHFFFAOYSA-N 2 1 353.514 3.161 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411515491 499750099 /nfs/dbraw/zinc/75/00/99/499750099.db2.gz HYEVZSZJASJAFT-YRNRMSPPSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515491 499750100 /nfs/dbraw/zinc/75/01/00/499750100.db2.gz HYEVZSZJASJAFT-YRNRMSPPSA-N 2 1 359.489 3.174 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000411548610 499753657 /nfs/dbraw/zinc/75/36/57/499753657.db2.gz FLLXEMIRZHBCQQ-SJLPKXTDSA-N 2 1 351.560 3.197 20 0 FGADMP COCCOc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000414198936 499767804 /nfs/dbraw/zinc/76/78/04/499767804.db2.gz XADVQTYTXACEKI-SJORKVTESA-N 2 1 350.503 3.103 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411159 499788304 /nfs/dbraw/zinc/78/83/04/499788304.db2.gz PHGJMAOYCCPQFB-LPHOPBHVSA-N 2 1 369.475 3.472 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1C(F)(F)F ZINC000414411160 499788355 /nfs/dbraw/zinc/78/83/55/499788355.db2.gz PHGJMAOYCCPQFB-QFBILLFUSA-N 2 1 369.475 3.472 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414513250 499801419 /nfs/dbraw/zinc/80/14/19/499801419.db2.gz OWLLCJMFDIIVBS-GOSISDBHSA-N 2 1 361.493 3.282 20 0 FGADMP CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000414732580 499824311 /nfs/dbraw/zinc/82/43/11/499824311.db2.gz CTOPMMZSNRPOPJ-HUUCEWRRSA-N 2 1 371.447 3.286 20 0 FGADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737970 499825221 /nfs/dbraw/zinc/82/52/21/499825221.db2.gz OREXHOWDKIAFLB-KGLIPLIRSA-N 2 1 368.319 3.016 20 0 FGADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414738554 499825231 /nfs/dbraw/zinc/82/52/31/499825231.db2.gz PHEVJMGIKZHXQZ-OLZOCXBDSA-N 2 1 358.313 3.184 20 0 FGADMP CCCCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414744509 499825791 /nfs/dbraw/zinc/82/57/91/499825791.db2.gz WMQJSMGALNLMTQ-KRWDZBQOSA-N 2 1 371.525 3.405 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771721 499828962 /nfs/dbraw/zinc/82/89/62/499828962.db2.gz AHJROZYAJRHHOK-YOEHRIQHSA-N 2 1 356.432 3.496 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412161048 499829038 /nfs/dbraw/zinc/82/90/38/499829038.db2.gz LBXKVFAAZMWLHP-AGRFSFNASA-N 2 1 357.542 3.275 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412161048 499829040 /nfs/dbraw/zinc/82/90/40/499829040.db2.gz LBXKVFAAZMWLHP-AGRFSFNASA-N 2 1 357.542 3.275 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000412161048 499829042 /nfs/dbraw/zinc/82/90/42/499829042.db2.gz LBXKVFAAZMWLHP-AGRFSFNASA-N 2 1 357.542 3.275 20 0 FGADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412161055 499829069 /nfs/dbraw/zinc/82/90/69/499829069.db2.gz LBXKVFAAZMWLHP-TYZHSBRISA-N 2 1 357.542 3.275 20 0 FGADMP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774664 499829709 /nfs/dbraw/zinc/82/97/09/499829709.db2.gz FREQCBNUISEODW-UONOGXRCSA-N 2 1 353.304 3.279 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783821 499830761 /nfs/dbraw/zinc/83/07/61/499830761.db2.gz QPQUUWOJNXHRAF-ROUUACIJSA-N 2 1 356.489 3.450 20 0 FGADMP COc1sc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000414784991 499831100 /nfs/dbraw/zinc/83/11/00/499831100.db2.gz RYBAXZSVZVZCJX-NEPJUHHUSA-N 2 1 359.333 3.341 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414809924 499833386 /nfs/dbraw/zinc/83/33/86/499833386.db2.gz UVYAGGUWJIGPDT-UKRRQHHQSA-N 2 1 363.303 3.446 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(OC)cc2)ccc1OC ZINC000414885002 499841269 /nfs/dbraw/zinc/84/12/69/499841269.db2.gz OTTUPRCTFGRGGO-WOJBJXKFSA-N 2 1 370.493 3.338 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000414899173 499843017 /nfs/dbraw/zinc/84/30/17/499843017.db2.gz HBMFAVPBYZHHBM-UHFFFAOYSA-N 2 1 355.486 3.318 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414973983 499850477 /nfs/dbraw/zinc/85/04/77/499850477.db2.gz NJIFQJJBLASCRP-HNNXBMFYSA-N 2 1 369.303 3.088 20 0 FGADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OCc1cccnc1 ZINC000415063271 499860066 /nfs/dbraw/zinc/86/00/66/499860066.db2.gz HNNWPDYJRSOYMX-IBGZPJMESA-N 2 1 355.482 3.276 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000412692838 499876137 /nfs/dbraw/zinc/87/61/37/499876137.db2.gz DQYHHZCWFFXAEZ-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@H+]1Cc1ccccc1 ZINC000412692838 499876138 /nfs/dbraw/zinc/87/61/38/499876138.db2.gz DQYHHZCWFFXAEZ-SFHVURJKSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000413175217 499922692 /nfs/dbraw/zinc/92/26/92/499922692.db2.gz JOCZQSTXEQDQBN-APAFKAMOSA-N 2 1 373.541 3.496 20 0 FGADMP Cc1csc2ncnc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c12 ZINC000413178773 499922856 /nfs/dbraw/zinc/92/28/56/499922856.db2.gz UOVPBXBTXYLEJR-UHFFFAOYSA-N 2 1 359.543 3.362 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000415905781 499926663 /nfs/dbraw/zinc/92/66/63/499926663.db2.gz VNJLUIDIKZRIQV-UHFFFAOYSA-N 2 1 352.482 3.064 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000415910884 499927447 /nfs/dbraw/zinc/92/74/47/499927447.db2.gz CKVSLFMZNBGXCB-UXHICEINSA-N 2 1 352.482 3.363 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000415913634 499927599 /nfs/dbraw/zinc/92/75/99/499927599.db2.gz QBTSJRDWLQCZNT-LPHOPBHVSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)c1 ZINC000415931044 499929939 /nfs/dbraw/zinc/92/99/39/499929939.db2.gz LFPPUUXMLSATFY-OXJNMPFZSA-N 2 1 352.482 3.191 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)c1 ZINC000415937033 499930868 /nfs/dbraw/zinc/93/08/68/499930868.db2.gz XBGYHHNPKHQXSM-NRFANRHFSA-N 2 1 366.509 3.438 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C[C@H]1C ZINC000415964979 499934545 /nfs/dbraw/zinc/93/45/45/499934545.db2.gz YXSXQGJYKOQHPM-NEPJUHHUSA-N 2 1 358.408 3.111 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415988546 499937912 /nfs/dbraw/zinc/93/79/12/499937912.db2.gz DFJDGODGXZAGRX-DLBZAZTESA-N 2 1 364.493 3.417 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417034561 499953667 /nfs/dbraw/zinc/95/36/67/499953667.db2.gz GAPRMTORGGUFEI-FGTMMUONSA-N 2 1 360.546 3.264 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000413507855 499975186 /nfs/dbraw/zinc/97/51/86/499975186.db2.gz TWDPOZCQOCBSRY-NQIIRXRSSA-N 2 1 357.542 3.475 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC1([NH3+])CCC1)C1CCCCC1 ZINC000417224640 500009809 /nfs/dbraw/zinc/00/98/09/500009809.db2.gz RSQPIVLJKJEKPX-UHFFFAOYSA-N 2 1 358.530 3.132 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000417400705 500061914 /nfs/dbraw/zinc/06/19/14/500061914.db2.gz KWTNJJUAUNKLPW-FQEVSTJZSA-N 2 1 372.557 3.058 20 0 FGADMP C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000429450637 500080632 /nfs/dbraw/zinc/08/06/32/500080632.db2.gz WQMBJDWPFALXLD-FQEVSTJZSA-N 2 1 351.494 3.000 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[N@H+](C)Cc1ccccc1 ZINC000413895424 500088987 /nfs/dbraw/zinc/08/89/87/500088987.db2.gz AGHXMGGEONXWEX-MRXNPFEDSA-N 2 1 373.472 3.225 20 0 FGADMP C[C@H](C(=O)Nc1ccc(OCC[NH+](C)C)cc1F)[N@@H+](C)Cc1ccccc1 ZINC000413895424 500088990 /nfs/dbraw/zinc/08/89/90/500088990.db2.gz AGHXMGGEONXWEX-MRXNPFEDSA-N 2 1 373.472 3.225 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000429519379 500092139 /nfs/dbraw/zinc/09/21/39/500092139.db2.gz VWRMRJVEMCNIRQ-LAUBAEHRSA-N 2 1 351.494 3.377 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2CC[C@H](C)C2)CC1 ZINC000429564627 500104428 /nfs/dbraw/zinc/10/44/28/500104428.db2.gz FNOHXQFKGIVHNO-UWJYYQICSA-N 2 1 357.542 3.196 20 0 FGADMP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564811 500104466 /nfs/dbraw/zinc/10/44/66/500104466.db2.gz GPDIOYYPMFWRSJ-CTNGQTDRSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564811 500104467 /nfs/dbraw/zinc/10/44/67/500104467.db2.gz GPDIOYYPMFWRSJ-CTNGQTDRSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+](C)[C@H]3CC[C@@H](C)C3)CC2)cc1 ZINC000429564811 500104468 /nfs/dbraw/zinc/10/44/68/500104468.db2.gz GPDIOYYPMFWRSJ-CTNGQTDRSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@H](CNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000417589884 500119470 /nfs/dbraw/zinc/11/94/70/500119470.db2.gz QQILKXSERXIXFK-GIVPXCGWSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000425519383 500131765 /nfs/dbraw/zinc/13/17/65/500131765.db2.gz GGHUCSQCTQPMBG-IEBWSBKVSA-N 2 1 357.542 3.196 20 0 FGADMP CC(C)(C)CC[NH+]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000429725096 500132186 /nfs/dbraw/zinc/13/21/86/500132186.db2.gz ROOGLBYPZNLDKP-QFIPXVFZSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000417644540 500135664 /nfs/dbraw/zinc/13/56/64/500135664.db2.gz AJPUHKOZRFJMOM-DYESRHJHSA-N 2 1 366.509 3.170 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccc(F)cc2Cl)CC1 ZINC000421822052 500159472 /nfs/dbraw/zinc/15/94/72/500159472.db2.gz VOISZINBXBFRTF-MRXNPFEDSA-N 2 1 355.929 3.417 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000579455042 506179379 /nfs/dbraw/zinc/17/93/79/506179379.db2.gz NWGJCATYCXLBHL-DOTOQJQBSA-N 2 1 360.889 3.397 20 0 FGADMP COc1ccc([C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C(C)C)c(F)c1 ZINC000421830464 500161246 /nfs/dbraw/zinc/16/12/46/500161246.db2.gz JYAOGLKBHSIRAD-OXJNMPFZSA-N 2 1 352.494 3.358 20 0 FGADMP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1=O ZINC000421848861 500163611 /nfs/dbraw/zinc/16/36/11/500163611.db2.gz AQEPIGTWLBCWDG-KJJMTIBFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000416966945 500168543 /nfs/dbraw/zinc/16/85/43/500168543.db2.gz GAIJTGULSHUZNJ-RXVVDRJESA-N 2 1 372.557 3.250 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000416966271 500168798 /nfs/dbraw/zinc/16/87/98/500168798.db2.gz FMJVPSODGIFNSN-RXVVDRJESA-N 2 1 372.557 3.250 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000416969765 500169898 /nfs/dbraw/zinc/16/98/98/500169898.db2.gz CHKOGYDIVBJXKW-QGZVFWFLSA-N 2 1 358.530 3.002 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]1 ZINC000416974433 500172059 /nfs/dbraw/zinc/17/20/59/500172059.db2.gz LJODBSHUVURITF-MBOZVWFJSA-N 2 1 358.530 3.001 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000582300863 506180446 /nfs/dbraw/zinc/18/04/46/506180446.db2.gz GXACUPFIUHHUMF-KSZLIROESA-N 2 1 364.555 3.266 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000417866205 500187027 /nfs/dbraw/zinc/18/70/27/500187027.db2.gz AAVDMDFFSBHQOG-UHFFFAOYSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417866125 500187038 /nfs/dbraw/zinc/18/70/38/500187038.db2.gz DBTROSUEIZYLEN-WWMYMODYSA-N 2 1 366.509 3.169 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cc1 ZINC000417866123 500187223 /nfs/dbraw/zinc/18/72/23/500187223.db2.gz DBTROSUEIZYLEN-LLGFUMIMSA-N 2 1 366.509 3.169 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)NCCC[C@H]2CCC[NH2+]2)C[N@H+]1Cc1ccccc1 ZINC000417933068 500199898 /nfs/dbraw/zinc/19/98/98/500199898.db2.gz XEVCJBKWVUIJKC-HMXCVIKNSA-N 2 1 372.557 3.119 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983785 500209480 /nfs/dbraw/zinc/20/94/80/500209480.db2.gz CPRAXSFFPLJQRX-HFBAOOFYSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417983785 500209483 /nfs/dbraw/zinc/20/94/83/500209483.db2.gz CPRAXSFFPLJQRX-HFBAOOFYSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418012280 500214064 /nfs/dbraw/zinc/21/40/64/500214064.db2.gz VVIXATZAQTXBIN-DQYPLSBCSA-N 2 1 370.900 3.039 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000418012280 500214067 /nfs/dbraw/zinc/21/40/67/500214067.db2.gz VVIXATZAQTXBIN-DQYPLSBCSA-N 2 1 370.900 3.039 20 0 FGADMP COCC[NH+]1CCC([NH2+]CC2(c3cccc(F)c3F)CCCC2)CC1 ZINC000426064636 500232188 /nfs/dbraw/zinc/23/21/88/500232188.db2.gz VREGFARFWMWQPJ-UHFFFAOYSA-N 2 1 352.469 3.477 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426089981 500234529 /nfs/dbraw/zinc/23/45/29/500234529.db2.gz IRRQPBCIOWPJRK-OAQYLSRUSA-N 2 1 355.526 3.306 20 0 FGADMP CCN1CCC([N@@H+]2CCCN(C(=O)NC3CCC(C)(C)CC3)CC2)CC1 ZINC000422223085 500236914 /nfs/dbraw/zinc/23/69/14/500236914.db2.gz BOXYGWDOQJOHQY-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)NC3CCC(C)(C)CC3)CC2)CC1 ZINC000422223085 500236916 /nfs/dbraw/zinc/23/69/16/500236916.db2.gz BOXYGWDOQJOHQY-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418159858 500239291 /nfs/dbraw/zinc/23/92/91/500239291.db2.gz RKMRFLKFROZPMN-SFHVURJKSA-N 2 1 360.546 3.104 20 0 FGADMP [NH3+]CCCOC1CC[NH+](CC(=O)N(c2ccccc2)C2CCCCC2)CC1 ZINC000430559470 500254507 /nfs/dbraw/zinc/25/45/07/500254507.db2.gz XFVDQLPDUHQUHS-UHFFFAOYSA-N 2 1 373.541 3.182 20 0 FGADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000418317790 500261364 /nfs/dbraw/zinc/26/13/64/500261364.db2.gz BCXFPYDJLBEMDZ-NQIIRXRSSA-N 2 1 372.557 3.183 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430642362 500265135 /nfs/dbraw/zinc/26/51/35/500265135.db2.gz JZLWNKFYZZXLQQ-UTKZUKDTSA-N 2 1 351.494 3.045 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)CCCC1)c1ccccc1 ZINC000426413487 500270470 /nfs/dbraw/zinc/27/04/70/500270470.db2.gz WWDUZCUOTOCZRG-XLIONFOSSA-N 2 1 355.526 3.393 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1)CC(C)C ZINC000418426054 500274856 /nfs/dbraw/zinc/27/48/56/500274856.db2.gz JEBNXMZHGKQUTN-OAQYLSRUSA-N 2 1 374.573 3.476 20 0 FGADMP O=C(C[N@H+]1CC[C@H]2CCC[C@@H]21)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000426460346 500275104 /nfs/dbraw/zinc/27/51/04/500275104.db2.gz NNSBAJBNOPVOAJ-MJGOQNOKSA-N 2 1 359.539 3.048 20 0 FGADMP CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000422711968 500288312 /nfs/dbraw/zinc/28/83/12/500288312.db2.gz NOLHEGBYRNDKHJ-IMJJTQAJSA-N 2 1 352.320 3.148 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1)CC(C)C ZINC000418538545 500288864 /nfs/dbraw/zinc/28/88/64/500288864.db2.gz KZYWCBKJAVFAPN-NRFANRHFSA-N 2 1 366.594 3.166 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717805 500289646 /nfs/dbraw/zinc/28/96/46/500289646.db2.gz PDZAWJOVPGVOFB-YLJYHZDGSA-N 3 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422717805 500289648 /nfs/dbraw/zinc/28/96/48/500289648.db2.gz PDZAWJOVPGVOFB-YLJYHZDGSA-N 2 1 352.526 3.064 20 0 FGADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422717805 500289649 /nfs/dbraw/zinc/28/96/49/500289649.db2.gz PDZAWJOVPGVOFB-YLJYHZDGSA-N 2 1 352.526 3.064 20 0 FGADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422728761 500290621 /nfs/dbraw/zinc/29/06/21/500290621.db2.gz GXKUEIZGYKIHPI-KVSKMBFKSA-N 2 1 358.530 3.222 20 0 FGADMP Brc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422731104 500291550 /nfs/dbraw/zinc/29/15/50/500291550.db2.gz KZILHAFKBAVIHN-ARFHVFGLSA-N 2 1 363.303 3.107 20 0 FGADMP C[C@@H]1CCC[C@](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)(N(C)C)C1 ZINC000422738417 500292610 /nfs/dbraw/zinc/29/26/10/500292610.db2.gz JBLBUSFGKCLXOT-QTPAZIJBSA-N 2 1 357.542 3.342 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418612765 500296643 /nfs/dbraw/zinc/29/66/43/500296643.db2.gz VYJGGFNEHVTSCS-HMXCVIKNSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]([NH2+]CC1(c2ccc3c(c2)OCCO3)CCCC1)c1c[nH+]ccc1N ZINC000422792389 500298066 /nfs/dbraw/zinc/29/80/66/500298066.db2.gz DTFHGAMQGBOTAN-HNNXBMFYSA-N 2 1 353.466 3.428 20 0 FGADMP CCc1ccc([C@H]([NH2+][C@@H](C)C[C@@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422790487 500298179 /nfs/dbraw/zinc/29/81/79/500298179.db2.gz CCAPNKWEQIOFEL-XFQAVAEZSA-N 2 1 374.550 3.457 20 0 FGADMP CCN(C(=O)N[C@H](C)CCCC[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000418681751 500307064 /nfs/dbraw/zinc/30/70/64/500307064.db2.gz ZCAUIYZNKITSME-HBFSDRIKSA-N 2 1 360.546 3.371 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422874812 500309080 /nfs/dbraw/zinc/30/90/80/500309080.db2.gz DGFHINUXFQRWBU-TWHAJKEOSA-N 3 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422874812 500309083 /nfs/dbraw/zinc/30/90/83/500309083.db2.gz DGFHINUXFQRWBU-TWHAJKEOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422874812 500309086 /nfs/dbraw/zinc/30/90/86/500309086.db2.gz DGFHINUXFQRWBU-TWHAJKEOSA-N 2 1 371.569 3.308 20 0 FGADMP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422892054 500311355 /nfs/dbraw/zinc/31/13/55/500311355.db2.gz LWSXYYQAJKBPSC-MOXWOTFGSA-N 2 1 359.558 3.021 20 0 FGADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1 ZINC000430957863 500312761 /nfs/dbraw/zinc/31/27/61/500312761.db2.gz VKSPOVVQZMZWBO-UHFFFAOYSA-N 2 1 353.466 3.491 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000430958401 500313070 /nfs/dbraw/zinc/31/30/70/500313070.db2.gz XRULQGLAIDYPST-UHFFFAOYSA-N 2 1 353.466 3.349 20 0 FGADMP CN(C(=O)[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422917517 500316520 /nfs/dbraw/zinc/31/65/20/500316520.db2.gz GARSPAIFZFBRMY-CZJMCEMMSA-N 2 1 363.505 3.133 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014526 500323197 /nfs/dbraw/zinc/32/31/97/500323197.db2.gz KAZQZVHGNYBZCP-ZWKOTPCHSA-N 2 1 373.541 3.372 20 0 FGADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(COC2CCOCC2)cc1 ZINC000422967969 500324582 /nfs/dbraw/zinc/32/45/82/500324582.db2.gz PZZRZACTHCSKDD-WZONZLPQSA-N 2 1 368.521 3.430 20 0 FGADMP CC(C)C[C@H](C)Oc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)ccn1 ZINC000422977164 500326216 /nfs/dbraw/zinc/32/62/16/500326216.db2.gz JPUGYLOKPWKMKH-FRYIKTPZSA-N 2 1 361.530 3.142 20 0 FGADMP CCC[N@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C1CC[NH2+]CC1 ZINC000431082001 500333261 /nfs/dbraw/zinc/33/32/61/500333261.db2.gz SBEFAXBQRXAYCE-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP CCC[N@@H+](CC(=O)N(Cc1ccccc1)[C@H](C)C1CC1)C1CC[NH2+]CC1 ZINC000431082001 500333263 /nfs/dbraw/zinc/33/32/63/500333263.db2.gz SBEFAXBQRXAYCE-GOSISDBHSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423079784 500339898 /nfs/dbraw/zinc/33/98/98/500339898.db2.gz AVJMEYYCYNIONJ-UAGQMJEPSA-N 2 1 352.320 3.148 20 0 FGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(I)cc1Cl ZINC000423104789 500343212 /nfs/dbraw/zinc/34/32/12/500343212.db2.gz YPGDUTLYSAIWGT-RKDXNWHRSA-N 2 1 352.647 3.160 20 0 FGADMP Clc1c(Br)cccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423169432 500350699 /nfs/dbraw/zinc/35/06/99/500350699.db2.gz JRYNAGMIHFRXMR-BPLDGKMQSA-N 2 1 373.722 3.349 20 0 FGADMP Brc1ccc2c(c1)CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000423180358 500352132 /nfs/dbraw/zinc/35/21/32/500352132.db2.gz AXYHOSRXVJHEOZ-IBGZPJMESA-N 2 1 374.326 3.471 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423190545 500353624 /nfs/dbraw/zinc/35/36/24/500353624.db2.gz SAIRUQLSFGNMPB-YJSIEXFISA-N 2 1 365.521 3.258 20 0 FGADMP Cc1ccc(Br)c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423188076 500353662 /nfs/dbraw/zinc/35/36/62/500353662.db2.gz QDQLTOZFKFUEMG-BHYGNILZSA-N 2 1 353.304 3.004 20 0 FGADMP Cc1cc(NC(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)ccc1C[NH+](C)C ZINC000573422337 506191383 /nfs/dbraw/zinc/19/13/83/506191383.db2.gz ALDFXDLYNWCODI-FQEVSTJZSA-N 2 1 366.509 3.302 20 0 FGADMP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000423353799 500367089 /nfs/dbraw/zinc/36/70/89/500367089.db2.gz MKGWWSDQQNDJGR-UTKZUKDTSA-N 2 1 357.542 3.455 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccc(S(C)(=O)=O)c2)cc1 ZINC000423366815 500367217 /nfs/dbraw/zinc/36/72/17/500367217.db2.gz CHOOADZIBBIAAK-ZJOUEHCJSA-N 2 1 372.534 3.347 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H]([NH3+])CC2CCCCC2)cc1)[NH+]1CCOCC1 ZINC000423389457 500369678 /nfs/dbraw/zinc/36/96/78/500369678.db2.gz VATKGFULHVFYSM-OXQOHEQNSA-N 2 1 359.514 3.316 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)[C@@H](C)[NH3+] ZINC000423396091 500370524 /nfs/dbraw/zinc/37/05/24/500370524.db2.gz RGXDUJVUONNUIN-CBQOVEMMSA-N 2 1 357.542 3.121 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423445081 500375678 /nfs/dbraw/zinc/37/56/78/500375678.db2.gz XHGBFZJMZRHDMF-IACLWVNRSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423445081 500375680 /nfs/dbraw/zinc/37/56/80/500375680.db2.gz XHGBFZJMZRHDMF-IACLWVNRSA-N 2 1 353.554 3.407 20 0 FGADMP CCc1ccccc1[C@H](N)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423495354 500379278 /nfs/dbraw/zinc/37/92/78/500379278.db2.gz BWRQLUAMIUBLIX-URVUXULASA-N 2 1 351.494 3.094 20 0 FGADMP Clc1cccc2c1OCCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423512630 500381013 /nfs/dbraw/zinc/38/10/13/500381013.db2.gz PAAFOLZMVONURV-RJYAGPCLSA-N 2 1 363.933 3.360 20 0 FGADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1OC ZINC000423527226 500382157 /nfs/dbraw/zinc/38/21/57/500382157.db2.gz MBGNUNQXNHFNLZ-FFZOFVMBSA-N 2 1 354.494 3.288 20 0 FGADMP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cn1 ZINC000423579941 500387032 /nfs/dbraw/zinc/38/70/32/500387032.db2.gz XBOYRCHWAOAUEU-INIZCTEOSA-N 2 1 358.917 3.379 20 0 FGADMP CC(C)CC[NH+]1CCC(CNC(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000431623670 500399999 /nfs/dbraw/zinc/39/99/99/500399999.db2.gz SVPZPYNWUMEVKQ-UHFFFAOYSA-N 2 1 374.573 3.176 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1Br ZINC000423806087 500403318 /nfs/dbraw/zinc/40/33/18/500403318.db2.gz HXCAYGNXYLGWJZ-UHFFFAOYSA-N 2 1 354.292 3.111 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423812899 500404688 /nfs/dbraw/zinc/40/46/88/500404688.db2.gz PISZVBOGOCLCLZ-IWEFOYFVSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423812899 500404691 /nfs/dbraw/zinc/40/46/91/500404691.db2.gz PISZVBOGOCLCLZ-IWEFOYFVSA-N 2 1 355.885 3.247 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000423814083 500404724 /nfs/dbraw/zinc/40/47/24/500404724.db2.gz STHUYGNSKCMWQV-GFCCVEGCSA-N 2 1 358.313 3.201 20 0 FGADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000423898528 500417285 /nfs/dbraw/zinc/41/72/85/500417285.db2.gz IEJUKOSECBRXFA-QHAWAJNXSA-N 2 1 355.526 3.032 20 0 FGADMP CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC[NH2+]1 ZINC000423897081 500417392 /nfs/dbraw/zinc/41/73/92/500417392.db2.gz HCEDBTFJYJIMHT-TUNNFDKTSA-N 2 1 355.526 3.032 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1)C1CC1 ZINC000423987442 500430789 /nfs/dbraw/zinc/43/07/89/500430789.db2.gz YSORZZPARNOBFA-FCHUYYIVSA-N 2 1 363.505 3.156 20 0 FGADMP C[C@@](C[NH3+])([NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC1 ZINC000420297658 500435664 /nfs/dbraw/zinc/43/56/64/500435664.db2.gz ZAFLUTSPAUNGGQ-UXHICEINSA-N 2 1 357.523 3.061 20 0 FGADMP Cn1ccnc1C[N@@H+](C[C@H]1CCCC(F)(F)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420310108 500439271 /nfs/dbraw/zinc/43/92/71/500439271.db2.gz MBRHNOFAEMYDCX-JKSUJKDBSA-N 2 1 352.473 3.190 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000420320993 500440896 /nfs/dbraw/zinc/44/08/96/500440896.db2.gz UYIAYFDVORRSJT-SXLOBPIMSA-N 2 1 351.494 3.305 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1C ZINC000420320993 500440897 /nfs/dbraw/zinc/44/08/97/500440897.db2.gz UYIAYFDVORRSJT-SXLOBPIMSA-N 2 1 351.494 3.305 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2Cn2cnc3ccccc32)cc1 ZINC000420373716 500449807 /nfs/dbraw/zinc/44/98/07/500449807.db2.gz MXYKRJNDFRPDFU-RTBURBONSA-N 2 1 364.493 3.252 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420398848 500455327 /nfs/dbraw/zinc/45/53/27/500455327.db2.gz HCPRIUDGNNNEQI-LMNJBCLMSA-N 2 1 373.541 3.056 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420398848 500455329 /nfs/dbraw/zinc/45/53/29/500455329.db2.gz HCPRIUDGNNNEQI-LMNJBCLMSA-N 2 1 373.541 3.056 20 0 FGADMP C[C@@H]1CC[N@@H+](CCC(=O)NC(c2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000420400152 500455500 /nfs/dbraw/zinc/45/55/00/500455500.db2.gz IJEATHPHJPYQKL-NQIIRXRSSA-N 2 1 365.521 3.199 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420398647 500455551 /nfs/dbraw/zinc/45/55/51/500455551.db2.gz HCPRIUDGNNNEQI-CUWPLCDZSA-N 2 1 373.541 3.056 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420398647 500455554 /nfs/dbraw/zinc/45/55/54/500455554.db2.gz HCPRIUDGNNNEQI-CUWPLCDZSA-N 2 1 373.541 3.056 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407020 500456888 /nfs/dbraw/zinc/45/68/88/500456888.db2.gz VCRHLPMDMOZEBM-KBAYOESNSA-N 2 1 361.555 3.048 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407020 500456890 /nfs/dbraw/zinc/45/68/90/500456890.db2.gz VCRHLPMDMOZEBM-KBAYOESNSA-N 2 1 361.555 3.048 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038159 500461657 /nfs/dbraw/zinc/46/16/57/500461657.db2.gz WYOQHTPPLFSSQO-PKOBYXMFSA-N 2 1 365.477 3.491 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000428038159 500461658 /nfs/dbraw/zinc/46/16/58/500461658.db2.gz WYOQHTPPLFSSQO-PKOBYXMFSA-N 2 1 365.477 3.491 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc2c(c1)CCCC2 ZINC000424295863 500483558 /nfs/dbraw/zinc/48/35/58/500483558.db2.gz RLJSHSCQSBWAFG-ROUUACIJSA-N 2 1 369.553 3.207 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302401 500483694 /nfs/dbraw/zinc/48/36/94/500483694.db2.gz ZJXNTOCTCXAUKB-IAGOWNOFSA-N 2 1 369.509 3.416 20 0 FGADMP CN(C[C@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424307107 500484730 /nfs/dbraw/zinc/48/47/30/500484730.db2.gz WVSPZFDHBFCKFN-FPOVZHCZSA-N 2 1 355.501 3.322 20 0 FGADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(Br)c1O ZINC000424383318 500494714 /nfs/dbraw/zinc/49/47/14/500494714.db2.gz UCHAEOWHQHSVGL-LBPRGKRZSA-N 2 1 369.303 3.127 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000570580079 506199370 /nfs/dbraw/zinc/19/93/70/506199370.db2.gz LKFBKWYBYQIZPL-GCJKJVERSA-N 2 1 365.521 3.356 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000420792143 500502391 /nfs/dbraw/zinc/50/23/91/500502391.db2.gz HLNIWOJFDXQKJW-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)C1 ZINC000420792143 500502394 /nfs/dbraw/zinc/50/23/94/500502394.db2.gz HLNIWOJFDXQKJW-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccccc2CNC(=O)N(C)C[C@@H]2CCC[N@H+]2C)C1 ZINC000420792143 500502398 /nfs/dbraw/zinc/50/23/98/500502398.db2.gz HLNIWOJFDXQKJW-NQIIRXRSSA-N 2 1 372.557 3.154 20 0 FGADMP COc1cc(Br)ccc1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432350907 500502732 /nfs/dbraw/zinc/50/27/32/500502732.db2.gz GNAJZGUKORKYHG-CQSZACIVSA-N 2 1 371.319 3.048 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCO1 ZINC000432357554 500504333 /nfs/dbraw/zinc/50/43/33/500504333.db2.gz LZOFTAXFENQXHI-QGZVFWFLSA-N 2 1 362.514 3.232 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CCCO1 ZINC000432357554 500504335 /nfs/dbraw/zinc/50/43/35/500504335.db2.gz LZOFTAXFENQXHI-QGZVFWFLSA-N 2 1 362.514 3.232 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)NCC(C)(C)[N@H+]2CCc3ccccc3C2)c1 ZINC000424435576 500505353 /nfs/dbraw/zinc/50/53/53/500505353.db2.gz JARITJLPBBFKRX-UHFFFAOYSA-N 2 1 366.509 3.412 20 0 FGADMP CC[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420889886 500523070 /nfs/dbraw/zinc/52/30/70/500523070.db2.gz JQBNNOHPTLMYNO-KBWCOIMZSA-N 2 1 372.557 3.165 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000432526076 500527321 /nfs/dbraw/zinc/52/73/21/500527321.db2.gz LQUCGDHORQXDKJ-UHFFFAOYSA-N 2 1 355.320 3.253 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420928643 500532684 /nfs/dbraw/zinc/53/26/84/500532684.db2.gz BZBBXEWZDLXPEK-SFHVURJKSA-N 2 1 354.494 3.287 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420928643 500532687 /nfs/dbraw/zinc/53/26/87/500532687.db2.gz BZBBXEWZDLXPEK-SFHVURJKSA-N 2 1 354.494 3.287 20 0 FGADMP C[N@H+](CCOCc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420939489 500535826 /nfs/dbraw/zinc/53/58/26/500535826.db2.gz QJSMQHQZBOWCIB-UHFFFAOYSA-N 2 1 354.494 3.167 20 0 FGADMP C[N@@H+](CCOCc1ccccc1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420939489 500535829 /nfs/dbraw/zinc/53/58/29/500535829.db2.gz QJSMQHQZBOWCIB-UHFFFAOYSA-N 2 1 354.494 3.167 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2cccc(C[NH+]3CCOCC3)c2)C1 ZINC000420941608 500537141 /nfs/dbraw/zinc/53/71/41/500537141.db2.gz TVWYWTINUFOZKT-TXTKFYIRSA-N 2 1 371.569 3.356 20 0 FGADMP COC(=O)C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1CCCCC1 ZINC000420955078 500541024 /nfs/dbraw/zinc/54/10/24/500541024.db2.gz XDFFRSHUTQOFSN-OAQYLSRUSA-N 2 1 374.525 3.120 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625772 500605323 /nfs/dbraw/zinc/60/53/23/500605323.db2.gz OXOCPLRBKYUSDW-RTBURBONSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755540 500620397 /nfs/dbraw/zinc/62/03/97/500620397.db2.gz CPHTWBSFLWUQMD-WOPDTQHZSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442755540 500620400 /nfs/dbraw/zinc/62/04/00/500620400.db2.gz CPHTWBSFLWUQMD-WOPDTQHZSA-N 2 1 354.376 3.486 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC1(C)C ZINC000442864658 500636124 /nfs/dbraw/zinc/63/61/24/500636124.db2.gz DHCKWAZZGWQAAC-KRWDZBQOSA-N 2 1 351.922 3.169 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)C1 ZINC000442916711 500646542 /nfs/dbraw/zinc/64/65/42/500646542.db2.gz AEBLONKUBIMFKQ-GFCCVEGCSA-N 2 1 354.285 3.135 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC000443058239 500670744 /nfs/dbraw/zinc/67/07/44/500670744.db2.gz JVPBFVOYOIAZMC-JXFKEZNVSA-N 2 1 357.523 3.015 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061204 500671453 /nfs/dbraw/zinc/67/14/53/500671453.db2.gz RDLHVWLPSWMXCB-UONOGXRCSA-N 2 1 353.894 3.045 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N[C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000443064946 500672569 /nfs/dbraw/zinc/67/25/69/500672569.db2.gz ZCJTZXWZRQBSIT-IFMALSPDSA-N 2 1 365.521 3.147 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079435 500676071 /nfs/dbraw/zinc/67/60/71/500676071.db2.gz ZMWRCDKEIHYBCM-QWHCGFSZSA-N 2 1 358.313 3.231 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000433575475 500715367 /nfs/dbraw/zinc/71/53/67/500715367.db2.gz NFRXCZCPZQUALR-OAQYLSRUSA-N 2 1 372.557 3.345 20 0 FGADMP COCC[N@H+](C)CC[C@@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccccc1 ZINC000443510273 500732048 /nfs/dbraw/zinc/73/20/48/500732048.db2.gz MMCSANMUHAFMGB-GOSISDBHSA-N 2 1 370.472 3.256 20 0 FGADMP COCC[N@@H+](C)CC[C@@H](Nc1[nH+]c2cccc(F)c2n1C)c1ccccc1 ZINC000443510273 500732049 /nfs/dbraw/zinc/73/20/49/500732049.db2.gz MMCSANMUHAFMGB-GOSISDBHSA-N 2 1 370.472 3.256 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000438145594 500745051 /nfs/dbraw/zinc/74/50/51/500745051.db2.gz NMYXSYSALBNBOX-UXHICEINSA-N 2 1 362.562 3.053 20 0 FGADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000443639629 500748107 /nfs/dbraw/zinc/74/81/07/500748107.db2.gz GVEIIALLUFNWCR-VQIMIIECSA-N 2 1 369.475 3.472 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000438186830 500751965 /nfs/dbraw/zinc/75/19/65/500751965.db2.gz GDLCJQCTASWONB-AGHHOFFYSA-N 2 1 356.485 3.402 20 0 FGADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(F)cc1 ZINC000438186830 500751968 /nfs/dbraw/zinc/75/19/68/500751968.db2.gz GDLCJQCTASWONB-AGHHOFFYSA-N 2 1 356.485 3.402 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000438329026 500771074 /nfs/dbraw/zinc/77/10/74/500771074.db2.gz OXFMLAQFOXFUNQ-VQTJNVASSA-N 2 1 362.562 3.053 20 0 FGADMP CC[C@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509314 500794939 /nfs/dbraw/zinc/79/49/39/500794939.db2.gz OLAISKDSGYRVLI-GHTZIAJQSA-N 2 1 373.541 3.070 20 0 FGADMP CC[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCCC2)C1 ZINC000438509316 500794951 /nfs/dbraw/zinc/79/49/51/500794951.db2.gz OLAISKDSGYRVLI-NQIIRXRSSA-N 2 1 373.541 3.070 20 0 FGADMP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438577292 500804130 /nfs/dbraw/zinc/80/41/30/500804130.db2.gz ROWVIXLZTIVDIB-ZWKOTPCHSA-N 2 1 361.555 3.408 20 0 FGADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(Cc2nc3cccnc3s2)C1 ZINC000434505107 500853044 /nfs/dbraw/zinc/85/30/44/500853044.db2.gz XRVHGWNMFABUIO-INIZCTEOSA-N 2 1 353.495 3.040 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000444580511 500861525 /nfs/dbraw/zinc/86/15/25/500861525.db2.gz CTBQGMMQOHRZSN-MPGHIAIKSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000444580511 500861526 /nfs/dbraw/zinc/86/15/26/500861526.db2.gz CTBQGMMQOHRZSN-MPGHIAIKSA-N 2 1 355.486 3.024 20 0 FGADMP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000434673560 500877436 /nfs/dbraw/zinc/87/74/36/500877436.db2.gz QWJZBDKEDQMESD-ZWKOTPCHSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)CN(CC(C)C)C(=O)CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000434750709 500888977 /nfs/dbraw/zinc/88/89/77/500888977.db2.gz YGMUCDGFIMLVES-UNMCSNQZSA-N 2 1 374.573 3.147 20 0 FGADMP CN(c1ccccc1CNC[C@H]1CCCC[N@@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000434782075 500893843 /nfs/dbraw/zinc/89/38/43/500893843.db2.gz FELHQKFRVAASAA-JOCHJYFZSA-N 2 1 370.585 3.324 20 0 FGADMP CN(c1ccccc1CNC[C@H]1CCCC[N@H+]1C1CC1)C1CC[NH+](C)CC1 ZINC000434782075 500893845 /nfs/dbraw/zinc/89/38/45/500893845.db2.gz FELHQKFRVAASAA-JOCHJYFZSA-N 2 1 370.585 3.324 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnc(-c4ccccc4F)s3)C2)CC1 ZINC000449023045 500900992 /nfs/dbraw/zinc/90/09/92/500900992.db2.gz MULDGKWGSFUDNN-INIZCTEOSA-N 2 1 374.529 3.161 20 0 FGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000449081210 500919422 /nfs/dbraw/zinc/91/94/22/500919422.db2.gz CPCUYRFQBCJNKA-QZTJIDSGSA-N 2 1 366.571 3.438 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449168327 500939738 /nfs/dbraw/zinc/93/97/38/500939738.db2.gz MASZPDLEDDPKSV-GVDBMIGSSA-N 2 1 351.922 3.226 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449168327 500939739 /nfs/dbraw/zinc/93/97/39/500939739.db2.gz MASZPDLEDDPKSV-GVDBMIGSSA-N 2 1 351.922 3.226 20 0 FGADMP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000449218127 500950646 /nfs/dbraw/zinc/95/06/46/500950646.db2.gz FOUCHDYCMOZFQO-OPYAIIAOSA-N 2 1 373.541 3.262 20 0 FGADMP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)ccn1 ZINC000449225939 500952420 /nfs/dbraw/zinc/95/24/20/500952420.db2.gz WAXILMCLTWADSM-HNNXBMFYSA-N 2 1 365.399 3.216 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC000435373747 500962231 /nfs/dbraw/zinc/96/22/31/500962231.db2.gz OLKKONUPICHZOI-DZGCQCFKSA-N 2 1 352.404 3.119 20 0 FGADMP COc1cccc(-c2nn(C(C)(C)C)cc2C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c1 ZINC000435375225 500962359 /nfs/dbraw/zinc/96/23/59/500962359.db2.gz UHBXPMCCKBKREK-HOTGVXAUSA-N 2 1 356.514 3.483 20 0 FGADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000435377315 500963136 /nfs/dbraw/zinc/96/31/36/500963136.db2.gz AEOMQNKWXNPIEN-SFHVURJKSA-N 2 1 372.513 3.054 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000435378878 500963675 /nfs/dbraw/zinc/96/36/75/500963675.db2.gz ABWOKUYHDWZEEY-DQLDELGASA-N 2 1 367.493 3.228 20 0 FGADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCc1ccccc1 ZINC000435380879 500963811 /nfs/dbraw/zinc/96/38/11/500963811.db2.gz UFHLABSRIJXQBO-UFYCRDLUSA-N 2 1 352.478 3.443 20 0 FGADMP CN(C)c1ncc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435426257 500972412 /nfs/dbraw/zinc/97/24/12/500972412.db2.gz HFHRJKDIMKJQCZ-MRXNPFEDSA-N 2 1 362.568 3.415 20 0 FGADMP CN(C)c1ncc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)s1 ZINC000435426257 500972415 /nfs/dbraw/zinc/97/24/15/500972415.db2.gz HFHRJKDIMKJQCZ-MRXNPFEDSA-N 2 1 362.568 3.415 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCc3nn(C)cc32)CC1 ZINC000449314496 500974047 /nfs/dbraw/zinc/97/40/47/500974047.db2.gz RDXIJUPENXMQRL-DYESRHJHSA-N 2 1 352.526 3.483 20 0 FGADMP CCOc1c(Br)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435435238 500976231 /nfs/dbraw/zinc/97/62/31/500976231.db2.gz XMGYFWJEDFWIKY-CQSZACIVSA-N 2 1 371.319 3.430 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165714 500983549 /nfs/dbraw/zinc/98/35/49/500983549.db2.gz UXHINKHLIFYTMY-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)c1ccccc1Cl ZINC000440165714 500983552 /nfs/dbraw/zinc/98/35/52/500983552.db2.gz UXHINKHLIFYTMY-RBUKOAKNSA-N 2 1 363.933 3.466 20 0 FGADMP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611709 501001895 /nfs/dbraw/zinc/00/18/95/501001895.db2.gz CDDDOEBPMUXWAM-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435611709 501001897 /nfs/dbraw/zinc/00/18/97/501001897.db2.gz CDDDOEBPMUXWAM-QAPCUYQASA-N 2 1 351.922 3.323 20 0 FGADMP CC[N@@H+](CCC(=O)Nc1ccc(Br)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435614946 501002417 /nfs/dbraw/zinc/00/24/17/501002417.db2.gz NZRFUIQPXGOXIQ-MRXNPFEDSA-N 2 1 368.319 3.242 20 0 FGADMP CCn1ccnc1C[N@@H+](CCc1ccc(OC)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699299 501014343 /nfs/dbraw/zinc/01/43/43/501014343.db2.gz ZLWYXCSSLCKUJM-HXUWFJFHSA-N 2 1 368.525 3.098 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000449486446 501014857 /nfs/dbraw/zinc/01/48/57/501014857.db2.gz SHXLWVOEAPUOTO-QZTJIDSGSA-N 2 1 362.514 3.252 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500311 501018652 /nfs/dbraw/zinc/01/86/52/501018652.db2.gz MZLBCKYCQBWOBP-NRFANRHFSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500311 501018653 /nfs/dbraw/zinc/01/86/53/501018653.db2.gz MZLBCKYCQBWOBP-NRFANRHFSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500311 501018658 /nfs/dbraw/zinc/01/86/58/501018658.db2.gz MZLBCKYCQBWOBP-NRFANRHFSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000449500311 501018660 /nfs/dbraw/zinc/01/86/60/501018660.db2.gz MZLBCKYCQBWOBP-NRFANRHFSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508640 501021284 /nfs/dbraw/zinc/02/12/84/501021284.db2.gz VHMZRVYGZHGGLS-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508640 501021285 /nfs/dbraw/zinc/02/12/85/501021285.db2.gz VHMZRVYGZHGGLS-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508640 501021287 /nfs/dbraw/zinc/02/12/87/501021287.db2.gz VHMZRVYGZHGGLS-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449508640 501021290 /nfs/dbraw/zinc/02/12/90/501021290.db2.gz VHMZRVYGZHGGLS-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP C[C@@H]1CN(Cc2ncc(CN(C)C)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449552855 501031359 /nfs/dbraw/zinc/03/13/59/501031359.db2.gz KRQNAHBEOYXCIC-KRWDZBQOSA-N 2 1 358.555 3.159 20 0 FGADMP C[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)CC[N@@H+](Cc2ccccc2)C1 ZINC000449552855 501031363 /nfs/dbraw/zinc/03/13/63/501031363.db2.gz KRQNAHBEOYXCIC-KRWDZBQOSA-N 2 1 358.555 3.159 20 0 FGADMP COC(=O)CC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791240 501048307 /nfs/dbraw/zinc/04/83/07/501048307.db2.gz NIZNYKHZKLDPLD-PMACEKPBSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CC1 ZINC000440791240 501048310 /nfs/dbraw/zinc/04/83/10/501048310.db2.gz NIZNYKHZKLDPLD-PMACEKPBSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CC1 ZINC000440791240 501048311 /nfs/dbraw/zinc/04/83/11/501048311.db2.gz NIZNYKHZKLDPLD-PMACEKPBSA-N 2 1 356.510 3.316 20 0 FGADMP COC(=O)CC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CC1 ZINC000440791240 501048315 /nfs/dbraw/zinc/04/83/15/501048315.db2.gz NIZNYKHZKLDPLD-PMACEKPBSA-N 2 1 356.510 3.316 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(OC)nc3)CC2)cs1 ZINC000436239065 501093475 /nfs/dbraw/zinc/09/34/75/501093475.db2.gz KLAQOTYMSBRLMP-UHFFFAOYSA-N 2 1 360.527 3.111 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CC1(C)C ZINC000441333687 501121813 /nfs/dbraw/zinc/12/18/13/501121813.db2.gz MHQYRNSGSWXXOF-UHFFFAOYSA-N 2 1 363.855 3.474 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2Br)CC1(C)C ZINC000441379560 501130842 /nfs/dbraw/zinc/13/08/42/501130842.db2.gz JIBCOZHKEQELCS-UHFFFAOYSA-N 2 1 374.754 3.218 20 0 FGADMP COC[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CCCC1 ZINC000446758967 501162660 /nfs/dbraw/zinc/16/26/60/501162660.db2.gz MLNNSAWZKIRNAX-FCHUYYIVSA-N 2 1 359.558 3.160 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453076663 501263897 /nfs/dbraw/zinc/26/38/97/501263897.db2.gz JLUFASMJOVXYRX-LJQANCHMSA-N 2 1 369.557 3.155 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H](NC(=O)Nc2c(C)cc(C)nc2C)[C@H](C)C1 ZINC000455474002 501312331 /nfs/dbraw/zinc/31/23/31/501312331.db2.gz CYBXGVVDYWMGBR-CRAIPNDOSA-N 2 1 362.518 3.265 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000453385043 501322682 /nfs/dbraw/zinc/32/26/82/501322682.db2.gz DBCPRSWBQREMPY-PBASOCQRSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2nccn2C)C1 ZINC000453385043 501322686 /nfs/dbraw/zinc/32/26/86/501322686.db2.gz DBCPRSWBQREMPY-PBASOCQRSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482286 506247502 /nfs/dbraw/zinc/24/75/02/506247502.db2.gz YXHDESLHEXQSRM-COPCDDAFSA-N 2 1 368.521 3.226 20 0 FGADMP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000457973635 501347691 /nfs/dbraw/zinc/34/76/91/501347691.db2.gz JAQBCIYGYBJHPK-GOSISDBHSA-N 2 1 366.440 3.002 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COC(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000582482289 506248235 /nfs/dbraw/zinc/24/82/35/506248235.db2.gz YXHDESLHEXQSRM-STZQEDGTSA-N 2 1 368.521 3.226 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455904262 501411556 /nfs/dbraw/zinc/41/15/56/501411556.db2.gz GYKCSFURYCYXDN-LJQANCHMSA-N 2 1 355.486 3.294 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000458381088 501431727 /nfs/dbraw/zinc/43/17/27/501431727.db2.gz VOPCQUPYLKDMNN-XMSQKQJNSA-N 2 1 372.557 3.243 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCC1 ZINC000458971462 501568519 /nfs/dbraw/zinc/56/85/19/501568519.db2.gz KAULLTMHBDKMHS-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCC1 ZINC000458971462 501568521 /nfs/dbraw/zinc/56/85/21/501568521.db2.gz KAULLTMHBDKMHS-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](Cc1ccccc1)C1(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)CCC1 ZINC000458971462 501568524 /nfs/dbraw/zinc/56/85/24/501568524.db2.gz KAULLTMHBDKMHS-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCCC[N@@H+](C)C3CC3)C2)CC1 ZINC000459157117 501605501 /nfs/dbraw/zinc/60/55/01/501605501.db2.gz MDFPXUAUEDTKCZ-LJQANCHMSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@H](NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000454680689 501608060 /nfs/dbraw/zinc/60/80/60/501608060.db2.gz ZDSJNNLEZFRWKL-OALUTQOASA-N 2 1 374.573 3.126 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000459260882 501620896 /nfs/dbraw/zinc/62/08/96/501620896.db2.gz KSVVNTBRXNUHFE-HXUWFJFHSA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1cc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)ccc1O ZINC000459329957 501632023 /nfs/dbraw/zinc/63/20/23/501632023.db2.gz RYMJXRBBLGPZPN-CALCHBBNSA-N 2 1 362.514 3.112 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000459346678 501636157 /nfs/dbraw/zinc/63/61/57/501636157.db2.gz UMOMFVPXBDJBNB-OAHLLOKOSA-N 2 1 371.319 3.087 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000459346678 501636159 /nfs/dbraw/zinc/63/61/59/501636159.db2.gz UMOMFVPXBDJBNB-OAHLLOKOSA-N 2 1 371.319 3.087 20 0 FGADMP CC(C)(C)C1CC([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000459465010 501658624 /nfs/dbraw/zinc/65/86/24/501658624.db2.gz NBEARPSBDJWMBT-UHFFFAOYSA-N 2 1 373.541 3.262 20 0 FGADMP C[N@@H+](CCCCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195143 501663775 /nfs/dbraw/zinc/66/37/75/501663775.db2.gz GGKJONITBMLYIK-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCCCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195143 501663776 /nfs/dbraw/zinc/66/37/76/501663776.db2.gz GGKJONITBMLYIK-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](CCCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)C1CC1 ZINC000457195143 501663778 /nfs/dbraw/zinc/66/37/78/501663778.db2.gz GGKJONITBMLYIK-SFHVURJKSA-N 2 1 361.505 3.028 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](c1ccco1)N1CCCCC1 ZINC000457435896 501697650 /nfs/dbraw/zinc/69/76/50/501697650.db2.gz GJMQPOVWPTZYPP-JKSUJKDBSA-N 2 1 359.474 3.083 20 0 FGADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000457495788 501710297 /nfs/dbraw/zinc/71/02/97/501710297.db2.gz ROQZZRUHQMFRHF-DLBZAZTESA-N 2 1 364.559 3.011 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2C2CCC2)CC1 ZINC000477623556 501741202 /nfs/dbraw/zinc/74/12/02/501741202.db2.gz AYSOOZNZFDVJNR-JOCHJYFZSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000477623556 501741206 /nfs/dbraw/zinc/74/12/06/501741206.db2.gz AYSOOZNZFDVJNR-JOCHJYFZSA-N 2 1 369.553 3.294 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C2CCC2)CC1 ZINC000477623556 501741209 /nfs/dbraw/zinc/74/12/09/501741209.db2.gz AYSOOZNZFDVJNR-JOCHJYFZSA-N 2 1 369.553 3.294 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccnn2-c2ccccc2C)C1 ZINC000474271360 501769577 /nfs/dbraw/zinc/76/95/77/501769577.db2.gz XPHUDTALWJWTMP-FQEVSTJZSA-N 2 1 356.514 3.113 20 0 FGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000467337677 501773653 /nfs/dbraw/zinc/77/36/53/501773653.db2.gz FDEHTJVUUHBYCP-KHYOSLBOSA-N 2 1 350.478 3.301 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000467344229 501774016 /nfs/dbraw/zinc/77/40/16/501774016.db2.gz AVYXMVPRPOJUAR-MRXNPFEDSA-N 2 1 357.464 3.254 20 0 FGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343619 501798306 /nfs/dbraw/zinc/79/83/06/501798306.db2.gz PJNGWPVNBMVOCJ-YRPNKDGESA-N 2 1 371.569 3.237 20 0 FGADMP CN(c1ccccc1C[N@H+](C)CCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000467511333 501811712 /nfs/dbraw/zinc/81/17/12/501811712.db2.gz CPDVDWKWXNWFOY-UHFFFAOYSA-N 3 1 358.574 3.135 20 0 FGADMP CN(c1ccccc1C[N@@H+](C)CCC[NH+]1CCCC1)C1CC[NH+](C)CC1 ZINC000467511333 501811716 /nfs/dbraw/zinc/81/17/16/501811716.db2.gz CPDVDWKWXNWFOY-UHFFFAOYSA-N 3 1 358.574 3.135 20 0 FGADMP CC[NH+](CC)CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000485445444 501823424 /nfs/dbraw/zinc/82/34/24/501823424.db2.gz QEAMQFSOUUSBRM-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000477903548 501824898 /nfs/dbraw/zinc/82/48/98/501824898.db2.gz CWTNMKFHTOGSMJ-WIYYLYMNSA-N 2 1 372.557 3.069 20 0 FGADMP O=C(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)N1CCCCCC1 ZINC000485478137 501831662 /nfs/dbraw/zinc/83/16/62/501831662.db2.gz SRWNDDCPBSQIFZ-UHFFFAOYSA-N 2 1 369.553 3.377 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000470898176 501846302 /nfs/dbraw/zinc/84/63/02/501846302.db2.gz QRMAZNVWRBITJX-HXUWFJFHSA-N 2 1 364.578 3.016 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000478015646 501853796 /nfs/dbraw/zinc/85/37/96/501853796.db2.gz KGYGWGUVVRHUBU-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000464068472 501888857 /nfs/dbraw/zinc/88/88/57/501888857.db2.gz XKMOMLQYISLNRJ-JBJBFBLISA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]1[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]1c1ccccc1 ZINC000464068472 501888862 /nfs/dbraw/zinc/88/88/62/501888862.db2.gz XKMOMLQYISLNRJ-JBJBFBLISA-N 2 1 350.506 3.405 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000485747587 501923466 /nfs/dbraw/zinc/92/34/66/501923466.db2.gz AJVSLMKKLFMTGI-UHFFFAOYSA-N 2 1 365.521 3.315 20 0 FGADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942241 501924682 /nfs/dbraw/zinc/92/46/82/501924682.db2.gz BZTPHCUMXJNNKE-HZPDHXFCSA-N 2 1 352.544 3.394 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H](C)C1 ZINC000482038273 501954368 /nfs/dbraw/zinc/95/43/68/501954368.db2.gz YMOCIQRWXXABOT-SIKLNZKXSA-N 2 1 370.541 3.141 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000482135031 501985310 /nfs/dbraw/zinc/98/53/10/501985310.db2.gz HTMLVWUKIFDSHG-QRFRQXIXSA-N 2 1 363.521 3.321 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1cc(F)ccc1F ZINC000482147947 501990298 /nfs/dbraw/zinc/99/02/98/501990298.db2.gz SBFVFLSRBDHMDU-RHSMWYFYSA-N 2 1 353.457 3.394 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042684 502031725 /nfs/dbraw/zinc/03/17/25/502031725.db2.gz ZFEILFDJMKDZRL-FPOVZHCZSA-N 2 1 369.484 3.034 20 0 FGADMP C[C@H](CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)OCc1ccccc1 ZINC000475056910 502039315 /nfs/dbraw/zinc/03/93/15/502039315.db2.gz ONYMAMSSAOEHSC-IRLDBZIGSA-N 2 1 359.558 3.084 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000475093619 502054601 /nfs/dbraw/zinc/05/46/01/502054601.db2.gz HAKRZJBRYPTNDV-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000475093619 502054609 /nfs/dbraw/zinc/05/46/09/502054609.db2.gz HAKRZJBRYPTNDV-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000475093619 502054616 /nfs/dbraw/zinc/05/46/16/502054616.db2.gz HAKRZJBRYPTNDV-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475120799 502067559 /nfs/dbraw/zinc/06/75/59/502067559.db2.gz PRGOWZOINZHTSM-SFHVURJKSA-N 2 1 362.562 3.100 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000461400695 502097086 /nfs/dbraw/zinc/09/70/86/502097086.db2.gz LFTZUPJPRVFSSR-LJQANCHMSA-N 2 1 351.579 3.467 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000468544297 502100127 /nfs/dbraw/zinc/10/01/27/502100127.db2.gz VQNSWDVMBVFCJH-FQEVSTJZSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000486265187 502105320 /nfs/dbraw/zinc/10/53/20/502105320.db2.gz GCGIFQABBHVMDU-KNQAVFIVSA-N 2 1 371.569 3.035 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000461429390 502111007 /nfs/dbraw/zinc/11/10/07/502111007.db2.gz NZLGCKGVPVEAOI-HOJAQTOUSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595109 502121458 /nfs/dbraw/zinc/12/14/58/502121458.db2.gz WQMGAEWIUPXZSW-NRSPTQNISA-N 2 1 372.557 3.023 20 0 FGADMP O=C(NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)c1ccc2c[nH+]cn2c1 ZINC000461464843 502125003 /nfs/dbraw/zinc/12/50/03/502125003.db2.gz BVVZOSYQPLFNEH-IBGZPJMESA-N 2 1 362.477 3.366 20 0 FGADMP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475302333 502125564 /nfs/dbraw/zinc/12/55/64/502125564.db2.gz FLIGQNDJLGHEIH-NRFANRHFSA-N 2 1 351.494 3.095 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccc(C)cc2)CC1 ZINC000464881102 502136318 /nfs/dbraw/zinc/13/63/18/502136318.db2.gz QTZRLDIFUTURTN-RTWAWAEBSA-N 2 1 357.542 3.163 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000482671339 502147137 /nfs/dbraw/zinc/14/71/37/502147137.db2.gz MSFOAOKOLXNPPD-NRFANRHFSA-N 2 1 372.557 3.072 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H](CNC(=O)NCCC[NH+]1CCCCC1)C1CC1 ZINC000482671340 502147319 /nfs/dbraw/zinc/14/73/19/502147319.db2.gz MSFOAOKOLXNPPD-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475369195 502151349 /nfs/dbraw/zinc/15/13/49/502151349.db2.gz NUBSKQQSPXRYOA-LJQANCHMSA-N 2 1 351.560 3.283 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000475369195 502151356 /nfs/dbraw/zinc/15/13/56/502151356.db2.gz NUBSKQQSPXRYOA-LJQANCHMSA-N 2 1 351.560 3.283 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[NH+]1Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000475369195 502151358 /nfs/dbraw/zinc/15/13/58/502151358.db2.gz NUBSKQQSPXRYOA-LJQANCHMSA-N 2 1 351.560 3.283 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[NH+]1Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000475369195 502151364 /nfs/dbraw/zinc/15/13/64/502151364.db2.gz NUBSKQQSPXRYOA-LJQANCHMSA-N 2 1 351.560 3.283 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000482717030 502160746 /nfs/dbraw/zinc/16/07/46/502160746.db2.gz ABNHAJLJAXUBOT-IBGZPJMESA-N 2 1 363.933 3.466 20 0 FGADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000482717033 502160832 /nfs/dbraw/zinc/16/08/32/502160832.db2.gz ABNHAJLJAXUBOT-LJQANCHMSA-N 2 1 363.933 3.466 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000486496507 502171613 /nfs/dbraw/zinc/17/16/13/502171613.db2.gz QTFWEMQIFCAELG-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000486496507 502171616 /nfs/dbraw/zinc/17/16/16/502171616.db2.gz QTFWEMQIFCAELG-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000486496507 502171620 /nfs/dbraw/zinc/17/16/20/502171620.db2.gz QTFWEMQIFCAELG-TYPHKJRUSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000465180153 502208167 /nfs/dbraw/zinc/20/81/67/502208167.db2.gz XIEZJSVYEYYMQW-JENIJYKNSA-N 2 1 360.546 3.144 20 0 FGADMP CN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475546692 502210075 /nfs/dbraw/zinc/21/00/75/502210075.db2.gz DXHFZBDTARLKES-RBBKRZOGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546692 502210080 /nfs/dbraw/zinc/21/00/80/502210080.db2.gz DXHFZBDTARLKES-RBBKRZOGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546692 502210085 /nfs/dbraw/zinc/21/00/85/502210085.db2.gz DXHFZBDTARLKES-RBBKRZOGSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000465198523 502211650 /nfs/dbraw/zinc/21/16/50/502211650.db2.gz UBBQPCNJNRZJRK-FQEVSTJZSA-N 2 1 357.542 3.380 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000468890262 502219315 /nfs/dbraw/zinc/21/93/15/502219315.db2.gz HRIVQJZFJIWHCW-NRFANRHFSA-N 2 1 360.546 3.024 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]nc2-c2ccc(C)cc2)CC1 ZINC000475625981 502233211 /nfs/dbraw/zinc/23/32/11/502233211.db2.gz PNQVIBTUJFXLBI-UHFFFAOYSA-N 2 1 363.465 3.111 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000462015522 502275592 /nfs/dbraw/zinc/27/55/92/502275592.db2.gz QABUDIRPPLPJRE-AQNXPRMDSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000462015522 502275593 /nfs/dbraw/zinc/27/55/93/502275593.db2.gz QABUDIRPPLPJRE-AQNXPRMDSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000462015522 502275595 /nfs/dbraw/zinc/27/55/95/502275595.db2.gz QABUDIRPPLPJRE-AQNXPRMDSA-N 2 1 366.594 3.403 20 0 FGADMP CC[C@H]1C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1c1ccccc1 ZINC000472232990 502279760 /nfs/dbraw/zinc/27/97/60/502279760.db2.gz WCXORWOSEUPGCQ-AVRDEDQJSA-N 2 1 369.553 3.245 20 0 FGADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000479538328 502289987 /nfs/dbraw/zinc/28/99/87/502289987.db2.gz BRBWGYDREWUNOZ-NYVOZVTQSA-N 2 1 369.553 3.466 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273335 502293521 /nfs/dbraw/zinc/29/35/21/502293521.db2.gz GWIXGAOEKCEZJX-MAUKXSAKSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc(Cl)c2)C1 ZINC000472273335 502293526 /nfs/dbraw/zinc/29/35/26/502293526.db2.gz GWIXGAOEKCEZJX-MAUKXSAKSA-N 2 1 367.921 3.100 20 0 FGADMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCC[C@@H](c4ccccc4)C3)cn2)CC1 ZINC000486896882 502297266 /nfs/dbraw/zinc/29/72/66/502297266.db2.gz MJPWKTSKFNKLRP-RTWAWAEBSA-N 2 1 365.525 3.044 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281884 502297902 /nfs/dbraw/zinc/29/79/02/502297902.db2.gz CTHOETFLLGUBJW-YJBOKZPZSA-N 2 1 367.921 3.100 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(Cl)cc2)C1 ZINC000472281884 502297908 /nfs/dbraw/zinc/29/79/08/502297908.db2.gz CTHOETFLLGUBJW-YJBOKZPZSA-N 2 1 367.921 3.100 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CCCC[C@H]3C)cc2)CC[NH+]1C ZINC000465553273 502305810 /nfs/dbraw/zinc/30/58/10/502305810.db2.gz QXOICVYWBCMRFI-DBXWQHBBSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000465553273 502305813 /nfs/dbraw/zinc/30/58/13/502305813.db2.gz QXOICVYWBCMRFI-DBXWQHBBSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000465553273 502305816 /nfs/dbraw/zinc/30/58/16/502305816.db2.gz QXOICVYWBCMRFI-DBXWQHBBSA-N 2 1 372.557 3.343 20 0 FGADMP COCCN1CCC([NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)CC1 ZINC000462112852 502312252 /nfs/dbraw/zinc/31/22/52/502312252.db2.gz UKZYQQYJFVIDLF-UHFFFAOYSA-N 2 1 371.525 3.112 20 0 FGADMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1F ZINC000486968112 502319303 /nfs/dbraw/zinc/31/93/03/502319303.db2.gz MDHLFUWYUQBMMN-UHFFFAOYSA-N 2 1 371.500 3.262 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000465595732 502320075 /nfs/dbraw/zinc/32/00/75/502320075.db2.gz JHVRTVRVBQCKTR-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000479645361 502330040 /nfs/dbraw/zinc/33/00/40/502330040.db2.gz IIGCMOIPTQJLIT-HXUWFJFHSA-N 2 1 366.594 3.406 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000472566585 502386348 /nfs/dbraw/zinc/38/63/48/502386348.db2.gz CYYUSYMJIPJJJV-ZVDOUQERSA-N 3 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000472566585 502386355 /nfs/dbraw/zinc/38/63/55/502386355.db2.gz CYYUSYMJIPJJJV-ZVDOUQERSA-N 3 1 351.579 3.072 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)C[C@H](C)O1 ZINC000472566585 502386360 /nfs/dbraw/zinc/38/63/60/502386360.db2.gz CYYUSYMJIPJJJV-ZVDOUQERSA-N 3 1 351.579 3.072 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846401 502401496 /nfs/dbraw/zinc/40/14/96/502401496.db2.gz NWIQEFGQGSRTKV-RBUKOAKNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465846401 502401507 /nfs/dbraw/zinc/40/15/07/502401507.db2.gz NWIQEFGQGSRTKV-RBUKOAKNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465846401 502401513 /nfs/dbraw/zinc/40/15/13/502401513.db2.gz NWIQEFGQGSRTKV-RBUKOAKNSA-N 2 1 360.546 3.023 20 0 FGADMP COc1ccccc1-c1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000472617710 502401537 /nfs/dbraw/zinc/40/15/37/502401537.db2.gz KCCIDYCUVPOYLA-UHFFFAOYSA-N 2 1 354.494 3.299 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC1CC[NH+](CC)CC1 ZINC000465875696 502410672 /nfs/dbraw/zinc/41/06/72/502410672.db2.gz TVKAJQNDVDCFCW-LJQANCHMSA-N 2 1 352.567 3.062 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@H](C[NH+](C)Cc2ccccc2)C(C)C)C1 ZINC000469435555 502416208 /nfs/dbraw/zinc/41/62/08/502416208.db2.gz CWZJDGCRGMLPAB-LEWJYISDSA-N 2 1 374.573 3.174 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469491120 502438252 /nfs/dbraw/zinc/43/82/52/502438252.db2.gz BYSHJAFNJWKDBI-INIZCTEOSA-N 2 1 368.319 3.324 20 0 FGADMP CCN1CCCC[C@H]1C(=O)Nc1ccc(CN(C)C)c(Br)c1 ZINC000469491120 502438254 /nfs/dbraw/zinc/43/82/54/502438254.db2.gz BYSHJAFNJWKDBI-INIZCTEOSA-N 2 1 368.319 3.324 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)c1cccc(C)c1 ZINC000465953367 502439089 /nfs/dbraw/zinc/43/90/89/502439089.db2.gz ADUGBGYKXUIIEX-TZIWHRDSSA-N 2 1 374.573 3.156 20 0 FGADMP CCn1c(C)cc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000588691462 506313122 /nfs/dbraw/zinc/31/31/22/506313122.db2.gz NYEYWPBCNBJNIL-PZJWPPBQSA-N 2 1 355.526 3.276 20 0 FGADMP CCn1c(C)cc2c1CCC[C@H]2[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000588691462 506313125 /nfs/dbraw/zinc/31/31/25/506313125.db2.gz NYEYWPBCNBJNIL-PZJWPPBQSA-N 2 1 355.526 3.276 20 0 FGADMP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000469520008 502449224 /nfs/dbraw/zinc/44/92/24/502449224.db2.gz BXRFTKIKCJRHCA-MOPGFXCFSA-N 2 1 369.619 3.174 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000466121232 502482738 /nfs/dbraw/zinc/48/27/38/502482738.db2.gz UYFCCFIAKNUSMB-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483753181 502483504 /nfs/dbraw/zinc/48/35/04/502483504.db2.gz YOAQIMOWQNDKTJ-KSZLIROESA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483753181 502483510 /nfs/dbraw/zinc/48/35/10/502483510.db2.gz YOAQIMOWQNDKTJ-KSZLIROESA-N 2 1 352.567 3.011 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)C[C@H]1C ZINC000483753181 502483514 /nfs/dbraw/zinc/48/35/14/502483514.db2.gz YOAQIMOWQNDKTJ-KSZLIROESA-N 2 1 352.567 3.011 20 0 FGADMP C[C@@H]1CCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C[C@@H]1C[NH3+] ZINC000582595378 506316580 /nfs/dbraw/zinc/31/65/80/506316580.db2.gz ZTCPVUZUKPQNPJ-OPYAIIAOSA-N 2 1 372.557 3.187 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000480273265 502521572 /nfs/dbraw/zinc/52/15/72/502521572.db2.gz GSTHJDOKHGPSNV-HXUWFJFHSA-N 2 1 363.571 3.086 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000473184584 502538331 /nfs/dbraw/zinc/53/83/31/502538331.db2.gz RQFIIXZKGYMKNW-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000473184584 502538333 /nfs/dbraw/zinc/53/83/33/502538333.db2.gz RQFIIXZKGYMKNW-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000473184584 502538335 /nfs/dbraw/zinc/53/83/35/502538335.db2.gz RQFIIXZKGYMKNW-HXUWFJFHSA-N 2 1 360.546 3.024 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850402 502547599 /nfs/dbraw/zinc/54/75/99/502547599.db2.gz KXUMYVRTFWVFMH-RTBURBONSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850402 502547603 /nfs/dbraw/zinc/54/76/03/502547603.db2.gz KXUMYVRTFWVFMH-RTBURBONSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000487850402 502547610 /nfs/dbraw/zinc/54/76/10/502547610.db2.gz KXUMYVRTFWVFMH-RTBURBONSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[C@]1(C)C[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000476652610 502551175 /nfs/dbraw/zinc/55/11/75/502551175.db2.gz BUJOQIWPBARURF-UNMCSNQZSA-N 2 1 363.590 3.323 20 0 FGADMP C[C@@H](NC(=O)NCC1([NH+](C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487889867 502557822 /nfs/dbraw/zinc/55/78/22/502557822.db2.gz AKAXBQUETVBPTI-QUCCMNQESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894081 502558906 /nfs/dbraw/zinc/55/89/06/502558906.db2.gz HOIJKVKNYJRVDH-SFHLNBCPSA-N 2 1 372.557 3.071 20 0 FGADMP CCOc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(Br)c1OC ZINC000469830347 502561646 /nfs/dbraw/zinc/56/16/46/502561646.db2.gz HMLAJVNAJQIVSU-UHFFFAOYSA-N 2 1 357.292 3.027 20 0 FGADMP Cc1cc(C)cc(-c2ccc(C[NH2+]CCC(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000462780026 502569073 /nfs/dbraw/zinc/56/90/73/502569073.db2.gz POMIDCYYENRRSE-UHFFFAOYSA-N 2 1 365.521 3.224 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124061 502575549 /nfs/dbraw/zinc/57/55/49/502575549.db2.gz AEWRIWUTCIXNPR-VGSWGCGISA-N 2 1 352.478 3.004 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccc2c(c1)COC2 ZINC000484124061 502575555 /nfs/dbraw/zinc/57/55/55/502575555.db2.gz AEWRIWUTCIXNPR-VGSWGCGISA-N 2 1 352.478 3.004 20 0 FGADMP Cc1nc2ccccc2n1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000476742581 502577002 /nfs/dbraw/zinc/57/70/02/502577002.db2.gz GOSYETTWHUPPTB-UHFFFAOYSA-N 2 1 354.498 3.212 20 0 FGADMP O[C@]1(CN[C@H]2CCCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484171635 502592475 /nfs/dbraw/zinc/59/24/75/502592475.db2.gz FYKASGXSSHGPFW-UNMCSNQZSA-N 2 1 352.478 3.127 20 0 FGADMP O[C@]1(C[NH2+][C@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000484171635 502592479 /nfs/dbraw/zinc/59/24/79/502592479.db2.gz FYKASGXSSHGPFW-UNMCSNQZSA-N 2 1 352.478 3.127 20 0 FGADMP O[C@@]1(CN[C@@H]2CCCOc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000484171629 502592888 /nfs/dbraw/zinc/59/28/88/502592888.db2.gz FYKASGXSSHGPFW-IFMALSPDSA-N 2 1 352.478 3.127 20 0 FGADMP O[C@@]1(C[NH2+][C@@H]2CCCOc3ccccc32)CCN(Cc2ccccc2)C1 ZINC000484171629 502592893 /nfs/dbraw/zinc/59/28/93/502592893.db2.gz FYKASGXSSHGPFW-IFMALSPDSA-N 2 1 352.478 3.127 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000473496760 502610493 /nfs/dbraw/zinc/61/04/93/502610493.db2.gz IKLMYSSXBKBJJI-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000473496760 502610497 /nfs/dbraw/zinc/61/04/97/502610497.db2.gz IKLMYSSXBKBJJI-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000473496760 502610503 /nfs/dbraw/zinc/61/05/03/502610503.db2.gz IKLMYSSXBKBJJI-FYYLOGMGSA-N 2 1 369.553 3.376 20 0 FGADMP C[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[N@@H+](C)Cc1ccccc1 ZINC000469960978 502610817 /nfs/dbraw/zinc/61/08/17/502610817.db2.gz DGJYNECZIDLJSW-SFHVURJKSA-N 2 1 374.488 3.497 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000469968196 502612366 /nfs/dbraw/zinc/61/23/66/502612366.db2.gz YAGKEKDQACLYTM-IBGZPJMESA-N 2 1 362.514 3.264 20 0 FGADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000480613786 502621608 /nfs/dbraw/zinc/62/16/08/502621608.db2.gz QDSSITXNPVFGEB-NHCUHLMSSA-N 2 1 357.542 3.379 20 0 FGADMP Brc1ccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2c1 ZINC000470004616 502627800 /nfs/dbraw/zinc/62/78/00/502627800.db2.gz ZTGMIBBPQIZCBR-INIZCTEOSA-N 2 1 363.303 3.061 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809838 502676500 /nfs/dbraw/zinc/67/65/00/502676500.db2.gz ZSBOWZJYEJLQFT-FXAWDEMLSA-N 2 1 373.541 3.069 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](C)C ZINC000480809838 502676503 /nfs/dbraw/zinc/67/65/03/502676503.db2.gz ZSBOWZJYEJLQFT-FXAWDEMLSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCO)cc2)CC[N@H+]1Cc1ccccc1 ZINC000463115229 502699961 /nfs/dbraw/zinc/69/99/61/502699961.db2.gz XEINZEXEAUJLCV-WIYYLYMNSA-N 2 1 354.494 3.200 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914400 502703133 /nfs/dbraw/zinc/70/31/33/502703133.db2.gz VMENRUUGWCHHAF-SIKLNZKXSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914400 502703138 /nfs/dbraw/zinc/70/31/38/502703138.db2.gz VMENRUUGWCHHAF-SIKLNZKXSA-N 2 1 365.521 3.225 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(OC(F)(F)F)c2)[C@H](C)C1 ZINC000470249526 502716921 /nfs/dbraw/zinc/71/69/21/502716921.db2.gz XYLDJNLMLXCJOL-KYJSFNMBSA-N 2 1 374.447 3.056 20 0 FGADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCOC[C@H]1[C@H]1CCCO1 ZINC000463209847 502719659 /nfs/dbraw/zinc/71/96/59/502719659.db2.gz AZVXCPZZNLTABX-LEWJYISDSA-N 2 1 357.498 3.395 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[NH+](C2CC2)C1 ZINC000470276379 502722788 /nfs/dbraw/zinc/72/27/88/502722788.db2.gz GCKSRGFVMPHTTP-NHCUHLMSSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000470276379 502722792 /nfs/dbraw/zinc/72/27/92/502722792.db2.gz GCKSRGFVMPHTTP-NHCUHLMSSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000470276379 502722797 /nfs/dbraw/zinc/72/27/97/502722797.db2.gz GCKSRGFVMPHTTP-NHCUHLMSSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000470291079 502725985 /nfs/dbraw/zinc/72/59/85/502725985.db2.gz XUQXCOBDVPQITB-OAQYLSRUSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000470291079 502725992 /nfs/dbraw/zinc/72/59/92/502725992.db2.gz XUQXCOBDVPQITB-OAQYLSRUSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000470291079 502725998 /nfs/dbraw/zinc/72/59/98/502725998.db2.gz XUQXCOBDVPQITB-OAQYLSRUSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000470291078 502726849 /nfs/dbraw/zinc/72/68/49/502726849.db2.gz XUQXCOBDVPQITB-NRFANRHFSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000470291078 502726852 /nfs/dbraw/zinc/72/68/52/502726852.db2.gz XUQXCOBDVPQITB-NRFANRHFSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000470291078 502726855 /nfs/dbraw/zinc/72/68/55/502726855.db2.gz XUQXCOBDVPQITB-NRFANRHFSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000470293481 502727138 /nfs/dbraw/zinc/72/71/38/502727138.db2.gz RAMWGLQZFWBMGX-OAQYLSRUSA-N 2 1 374.573 3.126 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000463260273 502739169 /nfs/dbraw/zinc/73/91/69/502739169.db2.gz BTINZIMOXXJOMC-RXVVDRJESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC[N@H+]1Cc1ccccc1 ZINC000470352615 502746347 /nfs/dbraw/zinc/74/63/47/502746347.db2.gz GOXMRBRFMOCVMZ-HTAPYJJXSA-N 2 1 363.505 3.415 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000477488527 502786383 /nfs/dbraw/zinc/78/63/83/502786383.db2.gz HIJTWXBPTMBIEE-OLMNPRSZSA-N 2 1 369.912 3.174 20 0 FGADMP C[C@H](NC(=O)NCC[N@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000484974583 502791085 /nfs/dbraw/zinc/79/10/85/502791085.db2.gz SNJIQAINPFGLSB-ZJOUEHCJSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000484974583 502791088 /nfs/dbraw/zinc/79/10/88/502791088.db2.gz SNJIQAINPFGLSB-ZJOUEHCJSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](NC(=O)NCC[NH+]1CCCC[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000484974583 502791095 /nfs/dbraw/zinc/79/10/95/502791095.db2.gz SNJIQAINPFGLSB-ZJOUEHCJSA-N 2 1 372.557 3.071 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@H](C)C1 ZINC000509154934 502834932 /nfs/dbraw/zinc/83/49/32/502834932.db2.gz PEHXNPUWTOLXPS-ZBFHGGJFSA-N 2 1 370.440 3.235 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)[C@H](C)C1 ZINC000509154934 502834937 /nfs/dbraw/zinc/83/49/37/502834937.db2.gz PEHXNPUWTOLXPS-ZBFHGGJFSA-N 2 1 370.440 3.235 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000513070145 502844349 /nfs/dbraw/zinc/84/43/49/502844349.db2.gz OJYDOEBUVKAGCA-NJDAHSKKSA-N 2 1 371.569 3.415 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000500823338 502871101 /nfs/dbraw/zinc/87/11/01/502871101.db2.gz AHIOIELRCWCHDR-NHCUHLMSSA-N 2 1 372.557 3.387 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000500840856 502875161 /nfs/dbraw/zinc/87/51/61/502875161.db2.gz VLSDROHAORWXPK-VAMGGRTRSA-N 2 1 366.594 3.308 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)nc1 ZINC000509374394 502886020 /nfs/dbraw/zinc/88/60/20/502886020.db2.gz TZJJXWZDZIQPDF-QGZVFWFLSA-N 2 1 359.514 3.345 20 0 FGADMP COc1c(C)cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000501036767 502917802 /nfs/dbraw/zinc/91/78/02/502917802.db2.gz YVCUADJPRWGBGG-UHFFFAOYSA-N 2 1 354.498 3.450 20 0 FGADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000501045742 502920449 /nfs/dbraw/zinc/92/04/49/502920449.db2.gz KBWCCCIKFCHWMX-OAHLLOKOSA-N 2 1 357.454 3.371 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000501062268 502925628 /nfs/dbraw/zinc/92/56/28/502925628.db2.gz IKDDCNKACQAVQL-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000501062268 502925630 /nfs/dbraw/zinc/92/56/30/502925630.db2.gz IKDDCNKACQAVQL-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000501062268 502925635 /nfs/dbraw/zinc/92/56/35/502925635.db2.gz IKDDCNKACQAVQL-UYAOXDASSA-N 2 1 360.546 3.071 20 0 FGADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(OCc2ccccc2)cc1 ZINC000501126134 502944957 /nfs/dbraw/zinc/94/49/57/502944957.db2.gz AHIZJCFWFIFPNY-UHFFFAOYSA-N 2 1 367.537 3.335 20 0 FGADMP CC[N@@H+](CCNC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1)C1CC1 ZINC000509710985 502973162 /nfs/dbraw/zinc/97/31/62/502973162.db2.gz HFMDRCPVVNWALC-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710985 502973166 /nfs/dbraw/zinc/97/31/66/502973166.db2.gz HFMDRCPVVNWALC-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CCNC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000509710985 502973170 /nfs/dbraw/zinc/97/31/70/502973170.db2.gz HFMDRCPVVNWALC-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)n(C(C)C)c1C ZINC000505749465 502978434 /nfs/dbraw/zinc/97/84/34/502978434.db2.gz IXOVOXAKJVVGMX-LJQANCHMSA-N 2 1 362.562 3.174 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000501348661 502989732 /nfs/dbraw/zinc/98/97/32/502989732.db2.gz QBZZGSQTXQXGFB-SFTDATJTSA-N 2 1 372.557 3.195 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CCCCC1 ZINC000501348661 502989735 /nfs/dbraw/zinc/98/97/35/502989735.db2.gz QBZZGSQTXQXGFB-SFTDATJTSA-N 2 1 372.557 3.195 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CC1 ZINC000505835285 502995824 /nfs/dbraw/zinc/99/58/24/502995824.db2.gz WPUHCTARAQQJQR-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC000505835285 502995829 /nfs/dbraw/zinc/99/58/29/502995829.db2.gz WPUHCTARAQQJQR-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](Cc1ccccc1)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC000505835285 502995832 /nfs/dbraw/zinc/99/58/32/502995832.db2.gz WPUHCTARAQQJQR-SFTDATJTSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402458 503002289 /nfs/dbraw/zinc/00/22/89/503002289.db2.gz ZJQVFPORTKCJKT-QUCCMNQESA-N 2 1 366.594 3.308 20 0 FGADMP C[N@H+]1CCCC[C@H]1CN1CCN(Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000513696701 503002410 /nfs/dbraw/zinc/00/24/10/503002410.db2.gz CIBVZYDZFOFBSJ-FQEVSTJZSA-N 2 1 357.542 3.002 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000501402459 503002810 /nfs/dbraw/zinc/00/28/10/503002810.db2.gz ZJQVFPORTKCJKT-UYAOXDASSA-N 2 1 366.594 3.308 20 0 FGADMP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1 ZINC000505875428 503003712 /nfs/dbraw/zinc/00/37/12/503003712.db2.gz WCCAGDDSLZUHQU-ZWKOTPCHSA-N 2 1 351.494 3.141 20 0 FGADMP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccco1 ZINC000497835317 503050810 /nfs/dbraw/zinc/05/08/10/503050810.db2.gz GCJHNIWJWBSBBE-LZLYRXPVSA-N 2 1 362.518 3.025 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)cc1F ZINC000510177615 503064555 /nfs/dbraw/zinc/06/45/55/503064555.db2.gz UORXCVRRLRDMGI-UHFFFAOYSA-N 2 1 366.396 3.055 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)C[N@@H+]3CCCC[C@H]3CC[NH3+])ccc2c1 ZINC000489938865 503070694 /nfs/dbraw/zinc/07/06/94/503070694.db2.gz ZUPWWFRXKQULSM-FQEVSTJZSA-N 2 1 369.509 3.010 20 0 FGADMP COc1ccc2cc(CN(C)C(=O)C[N@H+]3CCCC[C@H]3CC[NH3+])ccc2c1 ZINC000489938865 503070698 /nfs/dbraw/zinc/07/06/98/503070698.db2.gz ZUPWWFRXKQULSM-FQEVSTJZSA-N 2 1 369.509 3.010 20 0 FGADMP CCCC[N@@H+](C)CC1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000510264051 503081621 /nfs/dbraw/zinc/08/16/21/503081621.db2.gz KHIQBWNHCSBDCX-LJQANCHMSA-N 2 1 350.478 3.484 20 0 FGADMP COc1ccccc1[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[NH+]1CCCC1 ZINC000514083812 503083794 /nfs/dbraw/zinc/08/37/94/503083794.db2.gz MUPQVRQPIXFFNY-KCLUMXDGSA-N 2 1 357.542 3.295 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000501833087 503089701 /nfs/dbraw/zinc/08/97/01/503089701.db2.gz RRNAOHNKNDXHDP-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000514126585 503094262 /nfs/dbraw/zinc/09/42/62/503094262.db2.gz JVBWSLNJGKQUGJ-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000514126585 503094265 /nfs/dbraw/zinc/09/42/65/503094265.db2.gz JVBWSLNJGKQUGJ-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000514126585 503094271 /nfs/dbraw/zinc/09/42/71/503094271.db2.gz JVBWSLNJGKQUGJ-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490092631 503108713 /nfs/dbraw/zinc/10/87/13/503108713.db2.gz WWRQMKNGWPXXMF-HXUWFJFHSA-N 2 1 360.452 3.343 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000490092631 503108715 /nfs/dbraw/zinc/10/87/15/503108715.db2.gz WWRQMKNGWPXXMF-HXUWFJFHSA-N 2 1 360.452 3.343 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(c1ccccc1)c1ccccc1 ZINC000490158675 503119707 /nfs/dbraw/zinc/11/97/07/503119707.db2.gz TWWVDDAPROECCX-NRFANRHFSA-N 2 1 365.521 3.308 20 0 FGADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(c1ccccc1)c1ccccc1 ZINC000490158675 503119712 /nfs/dbraw/zinc/11/97/12/503119712.db2.gz TWWVDDAPROECCX-NRFANRHFSA-N 2 1 365.521 3.308 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCCC[C@@H]2/C=C/c2cccs2)CC1 ZINC000514238936 503122095 /nfs/dbraw/zinc/12/20/95/503122095.db2.gz ITMSLDAIHCOIQR-GFOMBABLSA-N 2 1 361.555 3.170 20 0 FGADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCCC[C@@H]2/C=C/c2cccs2)CC1 ZINC000514238936 503122100 /nfs/dbraw/zinc/12/21/00/503122100.db2.gz ITMSLDAIHCOIQR-GFOMBABLSA-N 2 1 361.555 3.170 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000498170343 503124042 /nfs/dbraw/zinc/12/40/42/503124042.db2.gz CFRYWQWRMNCYKX-GOSISDBHSA-N 2 1 374.529 3.109 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCC34CCOCC4)CCCC2)CC1 ZINC000502281608 503174030 /nfs/dbraw/zinc/17/40/30/503174030.db2.gz LIEJCEVWOCNXLS-IBGZPJMESA-N 2 1 350.547 3.349 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510707813 503176821 /nfs/dbraw/zinc/17/68/21/503176821.db2.gz YQUJEIZLSXLRIY-RTWAWAEBSA-N 2 1 371.525 3.016 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000490553997 503194464 /nfs/dbraw/zinc/19/44/64/503194464.db2.gz DXKVAIYCBUTPTQ-KRWDZBQOSA-N 2 1 354.498 3.364 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000514939125 503231986 /nfs/dbraw/zinc/23/19/86/503231986.db2.gz KDOKUZOJKXQQGO-LJQANCHMSA-N 2 1 371.569 3.471 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCCCN1C(=O)c2ccccc2C1=O ZINC000511037181 503240027 /nfs/dbraw/zinc/24/00/27/503240027.db2.gz WVTGGVGHFXCXQT-MRXNPFEDSA-N 2 1 368.481 3.026 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000498725839 503249494 /nfs/dbraw/zinc/24/94/94/503249494.db2.gz AMGKSGKQJOJNCE-SBHAEUEKSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491023191 503261883 /nfs/dbraw/zinc/26/18/83/503261883.db2.gz URSZMMCTIZZHTD-AUSIDOKSSA-N 2 1 367.537 3.176 20 0 FGADMP CCOc1c(Cl)cccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000515197023 503290096 /nfs/dbraw/zinc/29/00/96/503290096.db2.gz UABYRYAAGHLDGY-SFHVURJKSA-N 2 1 365.949 3.339 20 0 FGADMP CCOc1c(Cl)cccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000515197023 503290100 /nfs/dbraw/zinc/29/01/00/503290100.db2.gz UABYRYAAGHLDGY-SFHVURJKSA-N 2 1 365.949 3.339 20 0 FGADMP Cc1cc(F)cc([C@]2(F)CC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000502886620 503298622 /nfs/dbraw/zinc/29/86/22/503298622.db2.gz HKLWLEVGRADMDE-NRFANRHFSA-N 2 1 365.512 3.421 20 0 FGADMP Cc1cc(F)cc([C@]2(F)CC[N@H+](CCCN3CC[NH+](C(C)C)CC3)C2)c1 ZINC000502886620 503298628 /nfs/dbraw/zinc/29/86/28/503298628.db2.gz HKLWLEVGRADMDE-NRFANRHFSA-N 2 1 365.512 3.421 20 0 FGADMP COc1cccc(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000507456840 503301742 /nfs/dbraw/zinc/30/17/42/503301742.db2.gz ACZNDDMXBRJIBH-SESVDKBCSA-N 2 1 351.494 3.133 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000499002412 503312692 /nfs/dbraw/zinc/31/26/92/503312692.db2.gz GHZCVUUOBGILNH-IKGGRYGDSA-N 2 1 369.513 3.366 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000499002412 503312695 /nfs/dbraw/zinc/31/26/95/503312695.db2.gz GHZCVUUOBGILNH-IKGGRYGDSA-N 2 1 369.513 3.366 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000515352497 503322513 /nfs/dbraw/zinc/32/25/13/503322513.db2.gz FIJLJRRGCCULDS-HXUWFJFHSA-N 2 1 371.500 3.085 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000515352497 503322516 /nfs/dbraw/zinc/32/25/16/503322516.db2.gz FIJLJRRGCCULDS-HXUWFJFHSA-N 2 1 371.500 3.085 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000515352497 503322518 /nfs/dbraw/zinc/32/25/18/503322518.db2.gz FIJLJRRGCCULDS-HXUWFJFHSA-N 2 1 371.500 3.085 20 0 FGADMP C[NH+](C)CCC1CC[NH+](Cc2cn(-c3ccc(F)cc3Cl)nn2)CC1 ZINC000511457716 503325072 /nfs/dbraw/zinc/32/50/72/503325072.db2.gz FBPMIVUPJCAXTJ-UHFFFAOYSA-N 2 1 365.884 3.224 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000511495632 503331732 /nfs/dbraw/zinc/33/17/32/503331732.db2.gz NXPQWTARMUXOGY-VQIMIIECSA-N 2 1 365.477 3.274 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000511495632 503331734 /nfs/dbraw/zinc/33/17/34/503331734.db2.gz NXPQWTARMUXOGY-VQIMIIECSA-N 2 1 365.477 3.274 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000503051104 503336099 /nfs/dbraw/zinc/33/60/99/503336099.db2.gz GJOUWPZAYHXTPP-UHFFFAOYSA-N 2 1 356.514 3.261 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000503051104 503336102 /nfs/dbraw/zinc/33/61/02/503336102.db2.gz GJOUWPZAYHXTPP-UHFFFAOYSA-N 2 1 356.514 3.261 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000515476795 503346204 /nfs/dbraw/zinc/34/62/04/503346204.db2.gz TZZLVXUTJARGJK-DAYGRLMNSA-N 2 1 350.478 3.301 20 0 FGADMP COc1ccccc1[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC1 ZINC000507945147 503401075 /nfs/dbraw/zinc/40/10/75/503401075.db2.gz PDSMUDCPCQUCQV-DMUMMCEESA-N 2 1 373.541 3.210 20 0 FGADMP C[C@@H](CNC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000515820015 503406488 /nfs/dbraw/zinc/40/64/88/503406488.db2.gz BJZNIDZHCKRORB-FPOVZHCZSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000511900102 503410774 /nfs/dbraw/zinc/41/07/74/503410774.db2.gz DDFAQVOQGMINKC-UXHICEINSA-N 2 1 364.578 3.014 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247128 503415092 /nfs/dbraw/zinc/41/50/92/503415092.db2.gz KLEFNANLQGSTCG-NMNUPHIUSA-N 2 1 350.506 3.455 20 0 FGADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc3ccccc3)C1)[C@@H](C)C2 ZINC000493247128 503415096 /nfs/dbraw/zinc/41/50/96/503415096.db2.gz KLEFNANLQGSTCG-NMNUPHIUSA-N 2 1 350.506 3.455 20 0 FGADMP C[C@@H]1CCC[C@@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000508113165 503433362 /nfs/dbraw/zinc/43/33/62/503433362.db2.gz GFUXEILGSHKAAK-XLIONFOSSA-N 2 1 364.578 3.013 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccccc2OC(F)(F)F)s1 ZINC000512026912 503437642 /nfs/dbraw/zinc/43/76/42/503437642.db2.gz VDWJDWBVBIOFCK-UHFFFAOYSA-N 2 1 359.417 3.436 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000508256261 503464563 /nfs/dbraw/zinc/46/45/63/503464563.db2.gz HAVBASKCAYAIEQ-UEAVEIDSSA-N 2 1 371.569 3.338 20 0 FGADMP COCc1ccccc1/C=C(\C)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000508256261 503464568 /nfs/dbraw/zinc/46/45/68/503464568.db2.gz HAVBASKCAYAIEQ-UEAVEIDSSA-N 2 1 371.569 3.338 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H]3[C@H]4CCO[C@H]4C34CCCC4)CCCC2)CC1 ZINC000493977533 503469104 /nfs/dbraw/zinc/46/91/04/503469104.db2.gz OFSPNXHCPSWRRN-HSALFYBXSA-N 2 1 362.558 3.347 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000516488606 503519627 /nfs/dbraw/zinc/51/96/27/503519627.db2.gz YAEDAAPEXXFKCT-BZUAXINKSA-N 2 1 358.511 3.023 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)N1CC[C@@H](c2nccn2C)C1 ZINC000516488606 503519631 /nfs/dbraw/zinc/51/96/31/503519631.db2.gz YAEDAAPEXXFKCT-BZUAXINKSA-N 2 1 358.511 3.023 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)C[NH+]1CCCCC1 ZINC000516582081 503542673 /nfs/dbraw/zinc/54/26/73/503542673.db2.gz QRWFNDIBVGGVRM-SFHLNBCPSA-N 2 1 372.557 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cc(F)ccc2OC)CC1 ZINC000494446679 503543134 /nfs/dbraw/zinc/54/31/34/503543134.db2.gz WFKZLWVKEIOLGI-UHFFFAOYSA-N 2 1 357.473 3.266 20 0 FGADMP C[C@H](Nc1ccc(N2CCOCC2)nc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700187 503545753 /nfs/dbraw/zinc/54/57/53/503545753.db2.gz SHVUAJOZNOQXIK-AZUAARDMSA-N 2 1 366.509 3.241 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000500130020 503561087 /nfs/dbraw/zinc/56/10/87/503561087.db2.gz BYYNJPLLCDFRSM-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCC[N@H+](C(C)C)CC1)[NH+](C)C ZINC000508854041 503578341 /nfs/dbraw/zinc/57/83/41/503578341.db2.gz SCDYSAPDKYMMSG-AZUAARDMSA-N 2 1 360.546 3.112 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880862 503587348 /nfs/dbraw/zinc/58/73/48/503587348.db2.gz XGCKPQWKWSELBB-RBBKRZOGSA-N 2 1 358.526 3.408 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880862 503587350 /nfs/dbraw/zinc/58/73/50/503587350.db2.gz XGCKPQWKWSELBB-RBBKRZOGSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880862 503587353 /nfs/dbraw/zinc/58/73/53/503587353.db2.gz XGCKPQWKWSELBB-RBBKRZOGSA-N 2 1 358.526 3.408 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000508880862 503587356 /nfs/dbraw/zinc/58/73/56/503587356.db2.gz XGCKPQWKWSELBB-RBBKRZOGSA-N 2 1 358.526 3.408 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000500253423 503589853 /nfs/dbraw/zinc/58/98/53/503589853.db2.gz YRYRIWOEJZFDFZ-MOPGFXCFSA-N 2 1 372.557 3.164 20 0 FGADMP CC(=O)NCC[C@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000516814404 503592382 /nfs/dbraw/zinc/59/23/82/503592382.db2.gz AOYSHOSKOQVYQF-OAQYLSRUSA-N 2 1 359.558 3.383 20 0 FGADMP CC(=O)NCC[C@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000516814404 503592384 /nfs/dbraw/zinc/59/23/84/503592384.db2.gz AOYSHOSKOQVYQF-OAQYLSRUSA-N 2 1 359.558 3.383 20 0 FGADMP CC(=O)NCC[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000516814404 503592387 /nfs/dbraw/zinc/59/23/87/503592387.db2.gz AOYSHOSKOQVYQF-OAQYLSRUSA-N 2 1 359.558 3.383 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)Cc1ccccc1 ZINC000512613470 503595192 /nfs/dbraw/zinc/59/51/92/503595192.db2.gz RUOQMTKDVMHWNU-CJRSTVEYSA-N 2 1 364.533 3.480 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@]12CCCO2 ZINC000512654498 503604081 /nfs/dbraw/zinc/60/40/81/503604081.db2.gz MRVXSOXITOIBAK-VOFPXKNKSA-N 2 1 358.526 3.356 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@]12CCCO2 ZINC000512654498 503604085 /nfs/dbraw/zinc/60/40/85/503604085.db2.gz MRVXSOXITOIBAK-VOFPXKNKSA-N 2 1 358.526 3.356 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@]12CCCO2 ZINC000512654496 503604309 /nfs/dbraw/zinc/60/43/09/503604309.db2.gz MRVXSOXITOIBAK-MIUGBVLSSA-N 2 1 358.526 3.356 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@]12CCCO2 ZINC000512654496 503604310 /nfs/dbraw/zinc/60/43/10/503604310.db2.gz MRVXSOXITOIBAK-MIUGBVLSSA-N 2 1 358.526 3.356 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000512693369 503614810 /nfs/dbraw/zinc/61/48/10/503614810.db2.gz IMLLHSYCFYZEKN-MOPGFXCFSA-N 2 1 366.594 3.400 20 0 FGADMP CC[NH+](CC)CCOCC[NH2+]Cc1c(F)ccc(Br)c1F ZINC000500422152 503621058 /nfs/dbraw/zinc/62/10/58/503621058.db2.gz PPNCRXIRQHXHEO-UHFFFAOYSA-N 2 1 365.262 3.175 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)C1 ZINC000517025129 503646750 /nfs/dbraw/zinc/64/67/50/503646750.db2.gz JEYCXCIWIUASOJ-KNQAVFIVSA-N 2 1 368.521 3.415 20 0 FGADMP CSc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000517025447 503646964 /nfs/dbraw/zinc/64/69/64/503646964.db2.gz SNTUURXGESPZRD-ROUUACIJSA-N 2 1 366.571 3.106 20 0 FGADMP Cn1ccnc1[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000512899108 503651601 /nfs/dbraw/zinc/65/16/01/503651601.db2.gz PDUPVJOXDNVMBJ-FQEVSTJZSA-N 2 1 354.498 3.136 20 0 FGADMP C[N@@H+](CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C1CCCC1 ZINC000517090426 503664396 /nfs/dbraw/zinc/66/43/96/503664396.db2.gz MOWRYOQRUMWFIX-UHFFFAOYSA-N 2 1 372.557 3.346 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659356 503664670 /nfs/dbraw/zinc/66/46/70/503664670.db2.gz YACMIPXDXYHNKR-YJBOKZPZSA-N 2 1 370.497 3.153 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659356 503664678 /nfs/dbraw/zinc/66/46/78/503664678.db2.gz YACMIPXDXYHNKR-YJBOKZPZSA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659356 503664686 /nfs/dbraw/zinc/66/46/86/503664686.db2.gz YACMIPXDXYHNKR-YJBOKZPZSA-N 2 1 370.497 3.153 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000536659356 503664692 /nfs/dbraw/zinc/66/46/92/503664692.db2.gz YACMIPXDXYHNKR-YJBOKZPZSA-N 2 1 370.497 3.153 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@@H+]1Cc1ccccc1 ZINC000536676640 503674537 /nfs/dbraw/zinc/67/45/37/503674537.db2.gz KFXDRKFZGDGGIJ-XLIONFOSSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)nnn3C)CC[N@H+]1Cc1ccccc1 ZINC000536676640 503674546 /nfs/dbraw/zinc/67/45/46/503674546.db2.gz KFXDRKFZGDGGIJ-XLIONFOSSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676640 503674554 /nfs/dbraw/zinc/67/45/54/503674554.db2.gz KFXDRKFZGDGGIJ-XLIONFOSSA-N 2 1 363.509 3.453 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)nnn3C)CC[NH+]1Cc1ccccc1 ZINC000536676640 503674557 /nfs/dbraw/zinc/67/45/57/503674557.db2.gz KFXDRKFZGDGGIJ-XLIONFOSSA-N 2 1 363.509 3.453 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccc(Cl)s1 ZINC000495118871 503674621 /nfs/dbraw/zinc/67/46/21/503674621.db2.gz JCBBIVCBZMNFFM-HUUCEWRRSA-N 2 1 371.978 3.380 20 0 FGADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000540145535 503688379 /nfs/dbraw/zinc/68/83/79/503688379.db2.gz UOYFSDITCSOPPH-CQSZACIVSA-N 2 1 367.896 3.437 20 0 FGADMP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1)CC(C)C ZINC000540197049 503703759 /nfs/dbraw/zinc/70/37/59/503703759.db2.gz IYPDGEXNBBTNSN-OAHLLOKOSA-N 2 1 365.484 3.133 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NCC(F)(F)F)CC1)CC(C)C ZINC000540197049 503703760 /nfs/dbraw/zinc/70/37/60/503703760.db2.gz IYPDGEXNBBTNSN-OAHLLOKOSA-N 2 1 365.484 3.133 20 0 FGADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2[nH]c(=O)oc2c1 ZINC000540300941 503732238 /nfs/dbraw/zinc/73/22/38/503732238.db2.gz FIWWBDMTYBKZON-APWZRJJASA-N 2 1 361.486 3.057 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000543460351 503780296 /nfs/dbraw/zinc/78/02/96/503780296.db2.gz MAYOCCAZOXWBAP-YESZJQIVSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000543460351 503780300 /nfs/dbraw/zinc/78/03/00/503780300.db2.gz MAYOCCAZOXWBAP-YESZJQIVSA-N 2 1 359.514 3.265 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572602 503794085 /nfs/dbraw/zinc/79/40/85/503794085.db2.gz KPKUKXKKVOJVGR-IERDGZPVSA-N 2 1 358.457 3.122 20 0 FGADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OCc2ccc(F)cc2)cc1 ZINC000546572602 503794090 /nfs/dbraw/zinc/79/40/90/503794090.db2.gz KPKUKXKKVOJVGR-IERDGZPVSA-N 2 1 358.457 3.122 20 0 FGADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000546574973 503794264 /nfs/dbraw/zinc/79/42/64/503794264.db2.gz OIJRVOZQHOHMOO-PGRDOPGGSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1ccccc1COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546574973 503794268 /nfs/dbraw/zinc/79/42/68/503794268.db2.gz OIJRVOZQHOHMOO-PGRDOPGGSA-N 2 1 354.494 3.291 20 0 FGADMP Cc1cc2[nH]c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2c(C)c1 ZINC000517651803 503797856 /nfs/dbraw/zinc/79/78/56/503797856.db2.gz AHQGSRONSCPPEQ-UHFFFAOYSA-N 2 1 363.465 3.184 20 0 FGADMP CC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000530026345 503799874 /nfs/dbraw/zinc/79/98/74/503799874.db2.gz IMVASQGUMOQHQC-OAQYLSRUSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000517962117 503877117 /nfs/dbraw/zinc/87/71/17/503877117.db2.gz ZFZHXWGOBDFTPS-QFBILLFUSA-N 2 1 363.933 3.277 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000546788267 503877999 /nfs/dbraw/zinc/87/79/99/503877999.db2.gz HYALEIKCAGKJKT-KRWDZBQOSA-N 2 1 366.509 3.452 20 0 FGADMP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000533560077 503888358 /nfs/dbraw/zinc/88/83/58/503888358.db2.gz SUULMIXZAUVQNH-AWEZNQCLSA-N 2 1 374.435 3.244 20 0 FGADMP C[C@H](Cc1ccc(Cl)cc1)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000533677564 503920095 /nfs/dbraw/zinc/92/00/95/503920095.db2.gz ZMNUJMXNUSKRIX-OAHLLOKOSA-N 2 1 372.900 3.304 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC(CCC[NH+](CC)CC)CC2)C1 ZINC000543906334 503937572 /nfs/dbraw/zinc/93/75/72/503937572.db2.gz GWJWQCCHYCIVNN-HXUWFJFHSA-N 2 1 366.594 3.262 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cn2c(C)nc3ccccc32)C1 ZINC000530639462 504034604 /nfs/dbraw/zinc/03/46/04/504034604.db2.gz VHFJVPQWEKZBDS-QGZVFWFLSA-N 2 1 356.514 3.362 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547281522 504046484 /nfs/dbraw/zinc/04/64/84/504046484.db2.gz BWPMGYXGUXZLEQ-XIKOKIGWSA-N 2 1 365.930 3.489 20 0 FGADMP Cc1nc(-c2ccc(Cl)cc2)sc1[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547281522 504046491 /nfs/dbraw/zinc/04/64/91/504046491.db2.gz BWPMGYXGUXZLEQ-XIKOKIGWSA-N 2 1 365.930 3.489 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1)CC1CC1 ZINC000537849231 504064093 /nfs/dbraw/zinc/06/40/93/504064093.db2.gz HGSYRJVEPGXOFB-IBGZPJMESA-N 2 1 363.590 3.467 20 0 FGADMP C[C@H](CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000544286226 504073274 /nfs/dbraw/zinc/07/32/74/504073274.db2.gz IPJIXKLKHJSABN-SVFBPWRDSA-N 2 1 372.557 3.213 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000528146441 504090943 /nfs/dbraw/zinc/09/09/43/504090943.db2.gz ACVZEHILZHBQMI-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)C1 ZINC000528146441 504090946 /nfs/dbraw/zinc/09/09/46/504090946.db2.gz ACVZEHILZHBQMI-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)C1 ZINC000528146441 504090949 /nfs/dbraw/zinc/09/09/49/504090949.db2.gz ACVZEHILZHBQMI-UYAOXDASSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000547421164 504098527 /nfs/dbraw/zinc/09/85/27/504098527.db2.gz XWFXWINOUKONOM-KSZLIROESA-N 2 1 371.525 3.019 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)[C@@H](C)C1 ZINC000544359836 504102221 /nfs/dbraw/zinc/10/22/21/504102221.db2.gz NTQCZOPFQUEGNA-LQWHRVPQSA-N 2 1 373.541 3.262 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c2cccs2)CC1 ZINC000534316799 504107479 /nfs/dbraw/zinc/10/74/79/504107479.db2.gz YFZGLJFMZMILAV-VAMGGRTRSA-N 2 1 355.551 3.430 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000544394885 504116840 /nfs/dbraw/zinc/11/68/40/504116840.db2.gz STXSEMKVUGEEQR-IRXDYDNUSA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000544394885 504116842 /nfs/dbraw/zinc/11/68/42/504116842.db2.gz STXSEMKVUGEEQR-IRXDYDNUSA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000544394885 504116847 /nfs/dbraw/zinc/11/68/47/504116847.db2.gz STXSEMKVUGEEQR-IRXDYDNUSA-N 2 1 354.922 3.194 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000544394885 504116850 /nfs/dbraw/zinc/11/68/50/504116850.db2.gz STXSEMKVUGEEQR-IRXDYDNUSA-N 2 1 354.922 3.194 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021658 504117519 /nfs/dbraw/zinc/11/75/19/504117519.db2.gz UIBCDEWFCNCQDI-GKLJAUDBSA-N 2 1 369.431 3.129 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021658 504117522 /nfs/dbraw/zinc/11/75/22/504117522.db2.gz UIBCDEWFCNCQDI-GKLJAUDBSA-N 2 1 369.431 3.129 20 0 FGADMP CCCC[N@H+](C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541423883 504126270 /nfs/dbraw/zinc/12/62/70/504126270.db2.gz RZLZYJAMJKUMNC-SFHVURJKSA-N 2 1 360.546 3.341 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541423883 504126274 /nfs/dbraw/zinc/12/62/74/504126274.db2.gz RZLZYJAMJKUMNC-SFHVURJKSA-N 2 1 360.546 3.341 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000544419708 504126732 /nfs/dbraw/zinc/12/67/32/504126732.db2.gz KBUSGLRJEARAOP-WIYYLYMNSA-N 2 1 371.569 3.450 20 0 FGADMP CCc1ccc(CN(C)C(=O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000544419708 504126738 /nfs/dbraw/zinc/12/67/38/504126738.db2.gz KBUSGLRJEARAOP-WIYYLYMNSA-N 2 1 371.569 3.450 20 0 FGADMP C[N@@H+](CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccccc1 ZINC000519172657 504156348 /nfs/dbraw/zinc/15/63/48/504156348.db2.gz JWUIQXKRBUPLBE-OAQYLSRUSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCO[C@H](C)C3)cc2)C[C@H]1C ZINC000538196793 504159003 /nfs/dbraw/zinc/15/90/03/504159003.db2.gz ALLGUYLADBIEJQ-RCLSDMTESA-N 2 1 360.542 3.353 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC000531003662 504159044 /nfs/dbraw/zinc/15/90/44/504159044.db2.gz HDIXIPWLZVAMSI-VQTJNVASSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2CC2CCCCC2)C1 ZINC000531003662 504159050 /nfs/dbraw/zinc/15/90/50/504159050.db2.gz HDIXIPWLZVAMSI-VQTJNVASSA-N 2 1 364.578 3.061 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000531003662 504159056 /nfs/dbraw/zinc/15/90/56/504159056.db2.gz HDIXIPWLZVAMSI-VQTJNVASSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000531079973 504182895 /nfs/dbraw/zinc/18/28/95/504182895.db2.gz BNHDXLIFQREOPC-JTOWHCCKSA-N 2 1 351.922 3.320 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc3ccccc3)C1)OCO2 ZINC000544706246 504227896 /nfs/dbraw/zinc/22/78/96/504227896.db2.gz NRTQIKSVFMZDKB-FUHWJXTLSA-N 2 1 368.477 3.424 20 0 FGADMP COc1cc2c(cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)OCO2 ZINC000544706246 504227899 /nfs/dbraw/zinc/22/78/99/504227899.db2.gz NRTQIKSVFMZDKB-FUHWJXTLSA-N 2 1 368.477 3.424 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](c3ccccc3)c3cncnc3)CC2)nc(C)[nH+]1 ZINC000541731902 504236662 /nfs/dbraw/zinc/23/66/62/504236662.db2.gz DEMIJPSATDMUKM-JOCHJYFZSA-N 2 1 374.492 3.231 20 0 FGADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000547827808 504238683 /nfs/dbraw/zinc/23/86/83/504238683.db2.gz AQWDUFKQCMZLEG-WWPVKYPJSA-N 2 1 352.522 3.338 20 0 FGADMP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000547845955 504245857 /nfs/dbraw/zinc/24/58/57/504245857.db2.gz WVXMQNXLUYQZRI-UHFFFAOYSA-N 2 1 353.422 3.418 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@@H](Cc2ccccc2)C(N)=O)C1 ZINC000541800314 504258222 /nfs/dbraw/zinc/25/82/22/504258222.db2.gz WUPGOEHIUKIQBD-AVRDEDQJSA-N 2 1 365.521 3.105 20 0 FGADMP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548065342 504316045 /nfs/dbraw/zinc/31/60/45/504316045.db2.gz YUXUTNVOJNLCBO-SFHVURJKSA-N 2 1 372.557 3.378 20 0 FGADMP C[C@H]([NH2+]C[C@H](O)CCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548158939 504352139 /nfs/dbraw/zinc/35/21/39/504352139.db2.gz LWUCJPHSPKVJNI-WWPVKYPJSA-N 2 1 352.522 3.480 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000531624135 504367992 /nfs/dbraw/zinc/36/79/92/504367992.db2.gz ZSDBIDGRPYXJST-IBGZPJMESA-N 2 1 357.542 3.409 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796306 504374264 /nfs/dbraw/zinc/37/42/64/504374264.db2.gz ZGGOHLVLIJTINI-PVAVHDDUSA-N 2 1 358.404 3.269 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(OC(F)(F)F)c1 ZINC000538796306 504374267 /nfs/dbraw/zinc/37/42/67/504374267.db2.gz ZGGOHLVLIJTINI-PVAVHDDUSA-N 2 1 358.404 3.269 20 0 FGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000545239934 504411126 /nfs/dbraw/zinc/41/11/26/504411126.db2.gz WTCZFCCTGAPIOO-NRFANRHFSA-N 2 1 359.558 3.466 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)cc1 ZINC000545240312 504412042 /nfs/dbraw/zinc/41/20/42/504412042.db2.gz UCWNUOUUGXYUNP-XLIONFOSSA-N 2 1 373.566 3.266 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000545246261 504414166 /nfs/dbraw/zinc/41/41/66/504414166.db2.gz JCKUMTBZDRIYCI-MSOLQXFVSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000539048130 504456321 /nfs/dbraw/zinc/45/63/21/504456321.db2.gz ZTLNSCXIYRLOFZ-UVDFWXMISA-N 2 1 353.913 3.402 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)CCCC1 ZINC000545430301 504482981 /nfs/dbraw/zinc/48/29/81/504482981.db2.gz DGKJPPWREUHDIA-IBGZPJMESA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)CCCC1 ZINC000545430301 504482985 /nfs/dbraw/zinc/48/29/85/504482985.db2.gz DGKJPPWREUHDIA-IBGZPJMESA-N 2 1 361.505 3.028 20 0 FGADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CCC2 ZINC000535624257 504489137 /nfs/dbraw/zinc/48/91/37/504489137.db2.gz LQAJWKDZEDOLDQ-FPOVZHCZSA-N 2 1 357.542 3.364 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CCCS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000539198140 504495901 /nfs/dbraw/zinc/49/59/01/504495901.db2.gz NHLFKVMVYOHVOA-UHFFFAOYSA-N 2 1 366.571 3.213 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000542465851 504500579 /nfs/dbraw/zinc/50/05/79/504500579.db2.gz MKXLZFZBSWSMPS-UWJYYQICSA-N 2 1 351.498 3.024 20 0 FGADMP CN(CC[N@@H+](C)CCOc1cc(Cl)ccc1Cl)C1CC[NH+](C)CC1 ZINC000539220229 504501091 /nfs/dbraw/zinc/50/10/91/504501091.db2.gz LYXAJUJWFVHCLS-UHFFFAOYSA-N 2 1 374.356 3.330 20 0 FGADMP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000535678610 504504639 /nfs/dbraw/zinc/50/46/39/504504639.db2.gz CWELVUGEGRGHOG-HXUWFJFHSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NCC[NH+]2CCCCC2)CC1 ZINC000539308384 504526425 /nfs/dbraw/zinc/52/64/25/504526425.db2.gz HKJMLCUWKHNEPE-SFHVURJKSA-N 2 1 362.537 3.104 20 0 FGADMP CC(C)C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000532075836 504526721 /nfs/dbraw/zinc/52/67/21/504526721.db2.gz VPMIFXLAHYMLPH-IRFCIJBXSA-N 2 1 374.573 3.393 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000548714977 504538576 /nfs/dbraw/zinc/53/85/76/504538576.db2.gz BLQVELDAMFFXQT-UYAOXDASSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714977 504538579 /nfs/dbraw/zinc/53/85/79/504538579.db2.gz BLQVELDAMFFXQT-UYAOXDASSA-N 2 1 357.542 3.420 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C[NH+]1Cc1ccccc1 ZINC000548714977 504538586 /nfs/dbraw/zinc/53/85/86/504538586.db2.gz BLQVELDAMFFXQT-UYAOXDASSA-N 2 1 357.542 3.420 20 0 FGADMP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000548740766 504548175 /nfs/dbraw/zinc/54/81/75/504548175.db2.gz YBQSHDNFIWYMHV-QFIPXVFZSA-N 2 1 363.505 3.411 20 0 FGADMP C[N@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](c2ccccc2)C1 ZINC000548740766 504548180 /nfs/dbraw/zinc/54/81/80/504548180.db2.gz YBQSHDNFIWYMHV-QFIPXVFZSA-N 2 1 363.505 3.411 20 0 FGADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1)C1CCOCC1 ZINC000532192731 504569067 /nfs/dbraw/zinc/56/90/67/504569067.db2.gz GRDRFYCWPPRLMZ-QFIPXVFZSA-N 2 1 359.558 3.119 20 0 FGADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCc3c(Cl)cccc32)CC1 ZINC000542677455 504574115 /nfs/dbraw/zinc/57/41/15/504574115.db2.gz ITWSHRAGOLIFKR-IBGZPJMESA-N 2 1 363.933 3.250 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000532212892 504574521 /nfs/dbraw/zinc/57/45/21/504574521.db2.gz LQUMOOFOHKGGDZ-IRLDBZIGSA-N 2 1 372.484 3.164 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)Cn2c[nH+]c3c2CCCC3)cc1 ZINC000542694952 504579759 /nfs/dbraw/zinc/57/97/59/504579759.db2.gz JZYYMNOWOZRLSK-UHFFFAOYSA-N 2 1 370.497 3.121 20 0 FGADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OCC(F)(F)F ZINC000548834327 504584128 /nfs/dbraw/zinc/58/41/28/504584128.db2.gz SXGVLTBEWMMMBN-HNNXBMFYSA-N 2 1 360.420 3.456 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000535939289 504588229 /nfs/dbraw/zinc/58/82/29/504588229.db2.gz XONXZKXTZYXOFA-PMACEKPBSA-N 2 1 364.578 3.014 20 0 FGADMP Fc1ccc(OCC[NH+]2CCC(Nc3[nH+]cnc4[nH]ccc43)CC2)cc1 ZINC000532392006 504633812 /nfs/dbraw/zinc/63/38/12/504633812.db2.gz WVKFQWNCJHXLOU-UHFFFAOYSA-N 2 1 355.417 3.052 20 0 FGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000529341235 504639400 /nfs/dbraw/zinc/63/94/00/504639400.db2.gz PWFHOILVWCUQDL-LEWJYISDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1sccc1Br ZINC000532505486 504673909 /nfs/dbraw/zinc/67/39/09/504673909.db2.gz DKIJRVVVFHDJAL-OLZOCXBDSA-N 2 1 361.349 3.398 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000521196769 504676213 /nfs/dbraw/zinc/67/62/13/504676213.db2.gz ZINJYRMCRNSJTM-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C(F)(F)F)cc2)CC1 ZINC000521196769 504676217 /nfs/dbraw/zinc/67/62/17/504676217.db2.gz ZINJYRMCRNSJTM-CQSZACIVSA-N 2 1 371.447 3.299 20 0 FGADMP C[C@@H](c1cccc2ccccc21)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000532537968 504685380 /nfs/dbraw/zinc/68/53/80/504685380.db2.gz BSCFASFBZDBMCL-LAUBAEHRSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000532537968 504685393 /nfs/dbraw/zinc/68/53/93/504685393.db2.gz BSCFASFBZDBMCL-LAUBAEHRSA-N 2 1 351.494 3.139 20 0 FGADMP COCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000539825350 504705907 /nfs/dbraw/zinc/70/59/07/504705907.db2.gz SNADVKGOFJQTBF-UHFFFAOYSA-N 2 1 373.585 3.461 20 0 FGADMP COCc1ccc(C[N@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000539825350 504705914 /nfs/dbraw/zinc/70/59/14/504705914.db2.gz SNADVKGOFJQTBF-UHFFFAOYSA-N 3 1 373.585 3.461 20 0 FGADMP COCc1ccc(C[N@@H+](C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000539825350 504705921 /nfs/dbraw/zinc/70/59/21/504705921.db2.gz SNADVKGOFJQTBF-UHFFFAOYSA-N 3 1 373.585 3.461 20 0 FGADMP CC1(C)CCC[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000532616066 504711584 /nfs/dbraw/zinc/71/15/84/504711584.db2.gz RDXQWBGXIHEISH-VQTJNVASSA-N 2 1 357.542 3.442 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]3COCC[C@H]32)CC1 ZINC000539890771 504731830 /nfs/dbraw/zinc/73/18/30/504731830.db2.gz MMINEEQLQZNTHB-RBBKRZOGSA-N 2 1 357.542 3.220 20 0 FGADMP Cc1ccsc1CCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532674730 504733121 /nfs/dbraw/zinc/73/31/21/504733121.db2.gz MBDGUXVUKXCZQP-UHFFFAOYSA-N 2 1 358.511 3.165 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236040 504734011 /nfs/dbraw/zinc/73/40/11/504734011.db2.gz VFRHGIXKXWNWPT-HGSOSGBHSA-N 2 1 350.506 3.405 20 0 FGADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549236040 504734013 /nfs/dbraw/zinc/73/40/13/504734013.db2.gz VFRHGIXKXWNWPT-HGSOSGBHSA-N 2 1 350.506 3.405 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900372 504735541 /nfs/dbraw/zinc/73/55/41/504735541.db2.gz XTOLLSQWWYASRI-SFHLNBCPSA-N 2 1 358.526 3.474 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC(C)(C)O2 ZINC000539900372 504735545 /nfs/dbraw/zinc/73/55/45/504735545.db2.gz XTOLLSQWWYASRI-SFHLNBCPSA-N 2 1 358.526 3.474 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCCc2ccccc2C)CC1 ZINC000521429772 504736035 /nfs/dbraw/zinc/73/60/35/504736035.db2.gz ACCWMIQGPZSWDR-FQEVSTJZSA-N 2 1 373.585 3.486 20 0 FGADMP Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)cc[nH+]1 ZINC000549244985 504736316 /nfs/dbraw/zinc/73/63/16/504736316.db2.gz MDJUUYWSTPGVGA-FQEVSTJZSA-N 2 1 351.494 3.153 20 0 FGADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000536551231 504759653 /nfs/dbraw/zinc/75/96/53/504759653.db2.gz DQMRIZYTGRMVSE-HXUWFJFHSA-N 2 1 366.509 3.302 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)cs1 ZINC000556092985 504794934 /nfs/dbraw/zinc/79/49/34/504794934.db2.gz HPFNVGDALLMMKK-DNVCBOLYSA-N 2 1 351.560 3.465 20 0 FGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000553009430 504803743 /nfs/dbraw/zinc/80/37/43/504803743.db2.gz MZIICXCJVCEZOY-FXAWDEMLSA-N 2 1 354.494 3.470 20 0 FGADMP COc1ccccc1-c1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000553009432 504803869 /nfs/dbraw/zinc/80/38/69/504803869.db2.gz MZIICXCJVCEZOY-PXNSSMCTSA-N 2 1 354.494 3.470 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)c2ccccc2CC[NH3+])C1 ZINC000565150913 504808584 /nfs/dbraw/zinc/80/85/84/504808584.db2.gz IZCGLWHOADYVTF-GOSISDBHSA-N 2 1 365.521 3.350 20 0 FGADMP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CCOCC1 ZINC000559270012 504815453 /nfs/dbraw/zinc/81/54/53/504815453.db2.gz FFUVLEDWMHMJBQ-HNNXBMFYSA-N 2 1 367.331 3.007 20 0 FGADMP CC(C)c1[nH+]c(CN2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccn21 ZINC000556273186 504833894 /nfs/dbraw/zinc/83/38/94/504833894.db2.gz OGIHDUIYKSJKEY-LJQANCHMSA-N 2 1 369.557 3.060 20 0 FGADMP CCc1cc(OC)ccc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000565316301 504852464 /nfs/dbraw/zinc/85/24/64/504852464.db2.gz LCYQEGYCNMABQJ-HXUWFJFHSA-N 2 1 373.566 3.397 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549737570 504885131 /nfs/dbraw/zinc/88/51/31/504885131.db2.gz OVIWBSZBSOIUDV-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000549737570 504885134 /nfs/dbraw/zinc/88/51/34/504885134.db2.gz OVIWBSZBSOIUDV-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+]C2CCC3(CCCO3)CC2)[C@H](c2ccccc2)C1 ZINC000556510387 504892986 /nfs/dbraw/zinc/89/29/86/504892986.db2.gz JRRYQQICKLYXPU-KOENEWCDSA-N 2 1 371.569 3.447 20 0 FGADMP Cc1ccccc1[C@H](OC[C@H](O)C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000565594564 504932803 /nfs/dbraw/zinc/93/28/03/504932803.db2.gz XNKPAJLREAWCAN-FYYLOGMGSA-N 2 1 368.521 3.146 20 0 FGADMP CC[C@@H](CC(F)(F)F)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565786026 504986876 /nfs/dbraw/zinc/98/68/76/504986876.db2.gz YULUOQFKIUPTOA-HNNXBMFYSA-N 2 1 363.468 3.030 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000556832953 504988911 /nfs/dbraw/zinc/98/89/11/504988911.db2.gz NTMJITHHEIFYLS-SFHVURJKSA-N 2 1 366.509 3.148 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCCSC3)C3(C2)CCOCC3)cc1 ZINC000550262681 505005849 /nfs/dbraw/zinc/00/58/49/505005849.db2.gz NQMBSIPRCUWJKY-VQTJNVASSA-N 2 1 360.567 3.400 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000562987174 505010635 /nfs/dbraw/zinc/01/06/35/505010635.db2.gz NKPNKSOHOLMEKV-PMACEKPBSA-N 2 1 374.550 3.127 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)COCc1ccccc1 ZINC000562987174 505010640 /nfs/dbraw/zinc/01/06/40/505010640.db2.gz NKPNKSOHOLMEKV-PMACEKPBSA-N 2 1 374.550 3.127 20 0 FGADMP C(CC[NH+]1CCC[C@@H]1[C@@H]1CCCO1)CC[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000560184339 505014222 /nfs/dbraw/zinc/01/42/22/505014222.db2.gz QJPIIWNVINYYLH-WOZUAGRISA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCC[C@H]1[C@@H]1CCCO1)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184339 505014225 /nfs/dbraw/zinc/01/42/25/505014225.db2.gz QJPIIWNVINYYLH-WOZUAGRISA-N 2 1 350.547 3.444 20 0 FGADMP C(CC[NH+]1CCC[C@H]1[C@@H]1CCCO1)CC[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000560184339 505014227 /nfs/dbraw/zinc/01/42/27/505014227.db2.gz QJPIIWNVINYYLH-WOZUAGRISA-N 2 1 350.547 3.444 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2C)C1 ZINC000556925967 505019108 /nfs/dbraw/zinc/01/91/08/505019108.db2.gz PSPFFCCTTDAJKH-OAQYLSRUSA-N 2 1 356.514 3.113 20 0 FGADMP CC(C)(C)[N@H+]1CCc2nc(NC(=O)c3ccc4c[nH+]cn4c3)sc2C1 ZINC000563017069 505022165 /nfs/dbraw/zinc/02/21/65/505022165.db2.gz OMWOYQTYQRDRFD-UHFFFAOYSA-N 2 1 355.467 3.200 20 0 FGADMP C[NH2+]CCC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1 ZINC000563152511 505062019 /nfs/dbraw/zinc/06/20/19/505062019.db2.gz BHBWCZLMTJXSNF-QGZVFWFLSA-N 2 1 370.324 3.420 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c1 ZINC000563198348 505073359 /nfs/dbraw/zinc/07/33/59/505073359.db2.gz SNCDGUUUUHEYOC-HSZRJFAPSA-N 2 1 365.521 3.074 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550664869 505082358 /nfs/dbraw/zinc/08/23/58/505082358.db2.gz AAQBAOJFDHQHRF-VXKWHMMOSA-N 2 1 365.521 3.356 20 0 FGADMP CN(C)C(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000550664869 505082362 /nfs/dbraw/zinc/08/23/62/505082362.db2.gz AAQBAOJFDHQHRF-VXKWHMMOSA-N 2 1 365.521 3.356 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H](CC(C)(C)C)[NH2+]C ZINC000566181568 505105880 /nfs/dbraw/zinc/10/58/80/505105880.db2.gz PAVNGGVLQWQMMN-PMACEKPBSA-N 2 1 359.558 3.381 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000566213381 505114030 /nfs/dbraw/zinc/11/40/30/505114030.db2.gz NWRVRBORXQYUTA-OAQYLSRUSA-N 2 1 365.521 3.193 20 0 FGADMP NC(=O)C1(C[NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000560524502 505114988 /nfs/dbraw/zinc/11/49/88/505114988.db2.gz DFLANTLPYIIMKQ-PWRODBHTSA-N 2 1 369.553 3.313 20 0 FGADMP Cc1cc(C)c([C@H](C)[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)c1 ZINC000566244296 505121804 /nfs/dbraw/zinc/12/18/04/505121804.db2.gz QLUZZZJKGMUDKZ-ZCNNSNEGSA-N 2 1 357.542 3.253 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)c3ccc(F)c(F)c3)CC2)CC1 ZINC000563374286 505124839 /nfs/dbraw/zinc/12/48/39/505124839.db2.gz NUVQCYDQJPMKSD-UHFFFAOYSA-N 2 1 365.468 3.124 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C(C)C)[C@H]3C(C)C)CC2)CC1 ZINC000563409792 505135354 /nfs/dbraw/zinc/13/53/54/505135354.db2.gz SAAXCDBRBMHOFM-LEWJYISDSA-N 2 1 363.590 3.322 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458592 505140553 /nfs/dbraw/zinc/14/05/53/505140553.db2.gz YIWTYDHAFFIMHE-ICSRJNTNSA-N 2 1 369.509 3.491 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557458592 505140557 /nfs/dbraw/zinc/14/05/57/505140557.db2.gz YIWTYDHAFFIMHE-ICSRJNTNSA-N 2 1 369.509 3.491 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465835 505142566 /nfs/dbraw/zinc/14/25/66/505142566.db2.gz SFULQYJXVMCYHY-FCHUYYIVSA-N 2 1 363.505 3.024 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465835 505142571 /nfs/dbraw/zinc/14/25/71/505142571.db2.gz SFULQYJXVMCYHY-FCHUYYIVSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465835 505142574 /nfs/dbraw/zinc/14/25/74/505142574.db2.gz SFULQYJXVMCYHY-FCHUYYIVSA-N 2 1 363.505 3.024 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](c2ccccc2)C1 ZINC000557465835 505142578 /nfs/dbraw/zinc/14/25/78/505142578.db2.gz SFULQYJXVMCYHY-FCHUYYIVSA-N 2 1 363.505 3.024 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551050139 505147923 /nfs/dbraw/zinc/14/79/23/505147923.db2.gz FSCDXQWLVWYBMM-IVAOSVALSA-N 2 1 357.542 3.495 20 0 FGADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000551050139 505147926 /nfs/dbraw/zinc/14/79/26/505147926.db2.gz FSCDXQWLVWYBMM-IVAOSVALSA-N 2 1 357.542 3.495 20 0 FGADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CC3Cc4ccccc4C3)c2)CCO1 ZINC000557548698 505164447 /nfs/dbraw/zinc/16/44/47/505164447.db2.gz SCJYEGYNGNNPJJ-SFHVURJKSA-N 2 1 350.506 3.412 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CC3Cc4ccccc4C3)c2)CCO1 ZINC000557548698 505164450 /nfs/dbraw/zinc/16/44/50/505164450.db2.gz SCJYEGYNGNNPJJ-SFHVURJKSA-N 2 1 350.506 3.412 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000563581360 505183009 /nfs/dbraw/zinc/18/30/09/505183009.db2.gz OSXGBGGJAXTGDT-OVWQWFNUSA-N 2 1 364.559 3.042 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000551238745 505183956 /nfs/dbraw/zinc/18/39/56/505183956.db2.gz DIFZVGJFGABQRS-GMAHTHKFSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@H]1c1ccccc1 ZINC000551238745 505183957 /nfs/dbraw/zinc/18/39/57/505183957.db2.gz DIFZVGJFGABQRS-GMAHTHKFSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@H]1c1cccs1 ZINC000554699567 505243811 /nfs/dbraw/zinc/24/38/11/505243811.db2.gz WDRPVRMQRNQKDD-KDOFPFPSSA-N 2 1 357.514 3.450 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)[C@H]1c1cccs1 ZINC000554699567 505243814 /nfs/dbraw/zinc/24/38/14/505243814.db2.gz WDRPVRMQRNQKDD-KDOFPFPSSA-N 2 1 357.514 3.450 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccccc2C[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000566727235 505256821 /nfs/dbraw/zinc/25/68/21/505256821.db2.gz DCSWLSWQYNSEKT-AJYBTWMASA-N 2 1 372.557 3.043 20 0 FGADMP COc1ccc([C@@H](C[NH3+])CN2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)cc1 ZINC000566741218 505260940 /nfs/dbraw/zinc/26/09/40/505260940.db2.gz UJSCUMHFLLOKRX-KNQAVFIVSA-N 2 1 367.537 3.334 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000563952119 505286773 /nfs/dbraw/zinc/28/67/73/505286773.db2.gz BRRUSHLHSPJRIH-VOQZNFBZSA-N 2 1 356.485 3.372 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)Cc2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000563952119 505286777 /nfs/dbraw/zinc/28/67/77/505286777.db2.gz BRRUSHLHSPJRIH-VOQZNFBZSA-N 2 1 356.485 3.372 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000564058595 505314111 /nfs/dbraw/zinc/31/41/11/505314111.db2.gz IOCMHQUBPKIFPR-NJDAHSKKSA-N 2 1 358.526 3.072 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC12CCOCC2 ZINC000564058595 505314116 /nfs/dbraw/zinc/31/41/16/505314116.db2.gz IOCMHQUBPKIFPR-NJDAHSKKSA-N 2 1 358.526 3.072 20 0 FGADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCC2(CCCC2)CC1 ZINC000567001023 505334295 /nfs/dbraw/zinc/33/42/95/505334295.db2.gz DFKXZGGIXDLCEO-CTNGQTDRSA-N 2 1 369.553 3.422 20 0 FGADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccc(F)cc1 ZINC000558252371 505344998 /nfs/dbraw/zinc/34/49/98/505344998.db2.gz LCGVDDOCYLVFNR-YADHBBJMSA-N 2 1 355.501 3.335 20 0 FGADMP Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000567046555 505348184 /nfs/dbraw/zinc/34/81/84/505348184.db2.gz GUPNELKWDTWWSJ-MNEFBYGVSA-N 2 1 357.523 3.256 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000558326577 505361220 /nfs/dbraw/zinc/36/12/20/505361220.db2.gz RQUTYDUBUGMRNW-OAQYLSRUSA-N 2 1 357.542 3.409 20 0 FGADMP C[C@H](C(=O)Nc1ccc(-c2c[nH]cn2)cc1)[N@H+]1CCC2(CCOCC2)[C@@H]1C ZINC000551988316 505364425 /nfs/dbraw/zinc/36/44/25/505364425.db2.gz MNZILAPLJHLNKP-CVEARBPZSA-N 2 1 368.481 3.295 20 0 FGADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000555162635 505367881 /nfs/dbraw/zinc/36/78/81/505367881.db2.gz RJGHQIOATYVVMK-SFHLNBCPSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555162635 505367885 /nfs/dbraw/zinc/36/78/85/505367885.db2.gz RJGHQIOATYVVMK-SFHLNBCPSA-N 2 1 374.573 3.459 20 0 FGADMP CCCC[NH+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000555162635 505367888 /nfs/dbraw/zinc/36/78/88/505367888.db2.gz RJGHQIOATYVVMK-SFHLNBCPSA-N 2 1 374.573 3.459 20 0 FGADMP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000558418534 505383896 /nfs/dbraw/zinc/38/38/96/505383896.db2.gz IKYXJHXCMLUXBO-HXUWFJFHSA-N 2 1 354.498 3.280 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)Cc1cc(OC)cc(C)[nH+]1 ZINC000558418534 505383901 /nfs/dbraw/zinc/38/39/01/505383901.db2.gz IKYXJHXCMLUXBO-HXUWFJFHSA-N 2 1 354.498 3.280 20 0 FGADMP COCc1ccccc1/C=C(\C)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060587 505385685 /nfs/dbraw/zinc/38/56/85/505385685.db2.gz PJRDKGMTGHSBRM-FIWMFUAISA-N 2 1 371.569 3.337 20 0 FGADMP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552063799 505387276 /nfs/dbraw/zinc/38/72/76/505387276.db2.gz NLCBBKSWHOJVLC-BHDDXSALSA-N 3 1 357.542 3.122 20 0 FGADMP CN1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)[C@@H]2CCC[C@H]21 ZINC000552063799 505387278 /nfs/dbraw/zinc/38/72/78/505387278.db2.gz NLCBBKSWHOJVLC-BHDDXSALSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552063799 505387279 /nfs/dbraw/zinc/38/72/79/505387279.db2.gz NLCBBKSWHOJVLC-BHDDXSALSA-N 2 1 357.542 3.122 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)cc2)CC1 ZINC000552063799 505387282 /nfs/dbraw/zinc/38/72/82/505387282.db2.gz NLCBBKSWHOJVLC-BHDDXSALSA-N 2 1 357.542 3.122 20 0 FGADMP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000564381394 505400738 /nfs/dbraw/zinc/40/07/38/505400738.db2.gz VBXDDDKPQCCGHY-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000564381394 505400742 /nfs/dbraw/zinc/40/07/42/505400742.db2.gz VBXDDDKPQCCGHY-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000564381394 505400744 /nfs/dbraw/zinc/40/07/44/505400744.db2.gz VBXDDDKPQCCGHY-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[C@H](C[NH+](C)Cc1ccccc1)NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000564381394 505400749 /nfs/dbraw/zinc/40/07/49/505400749.db2.gz VBXDDDKPQCCGHY-MOPGFXCFSA-N 2 1 365.521 3.070 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552245010 505439510 /nfs/dbraw/zinc/43/95/10/505439510.db2.gz QBXXLPKLOHHXCO-QHAWAJNXSA-N 2 1 352.526 3.478 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000552245010 505439515 /nfs/dbraw/zinc/43/95/15/505439515.db2.gz QBXXLPKLOHHXCO-QHAWAJNXSA-N 2 1 352.526 3.478 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584928 505506070 /nfs/dbraw/zinc/50/60/70/505506070.db2.gz GERIIBXGBJUOIF-QTEQDKRBSA-N 2 1 369.553 3.031 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000567584931 505506260 /nfs/dbraw/zinc/50/62/60/505506260.db2.gz GERIIBXGBJUOIF-ZRCGQRJVSA-N 2 1 369.553 3.031 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)c(OC)n1 ZINC000562094997 505517271 /nfs/dbraw/zinc/51/72/71/505517271.db2.gz SOUPXLZOBNPEIR-HSALFYBXSA-N 2 1 367.493 3.099 20 0 FGADMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c(OC)n1 ZINC000562094997 505517275 /nfs/dbraw/zinc/51/72/75/505517275.db2.gz SOUPXLZOBNPEIR-HSALFYBXSA-N 2 1 367.493 3.099 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000562241061 505549243 /nfs/dbraw/zinc/54/92/43/505549243.db2.gz CZAZMNLXPKUFPG-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000562241061 505549247 /nfs/dbraw/zinc/54/92/47/505549247.db2.gz CZAZMNLXPKUFPG-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000562241061 505549251 /nfs/dbraw/zinc/54/92/51/505549251.db2.gz CZAZMNLXPKUFPG-QKNQBKEWSA-N 2 1 374.573 3.317 20 0 FGADMP [NH3+][C@H]1CCCC[C@@H]1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567732210 505551511 /nfs/dbraw/zinc/55/15/11/505551511.db2.gz ZBCBTIZLEPWIFT-ZBFHGGJFSA-N 2 1 350.532 3.365 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]21 ZINC000564987696 505565499 /nfs/dbraw/zinc/56/54/99/505565499.db2.gz GTLLROFKNNWDGV-WBMRYOJMSA-N 2 1 368.308 3.158 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(Cl)cc4Cl)C3=O)C[C@H]21 ZINC000564987696 505565501 /nfs/dbraw/zinc/56/55/01/505565501.db2.gz GTLLROFKNNWDGV-WBMRYOJMSA-N 2 1 368.308 3.158 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N[C@@H]1C[C@H](C)n2ccnc21 ZINC000567847128 505568096 /nfs/dbraw/zinc/56/80/96/505568096.db2.gz ZILBTTKTFLKSBW-MAUKXSAKSA-N 2 1 355.486 3.229 20 0 FGADMP C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[N@@H+]1CCc2ccccc2C1 ZINC000599301436 506402203 /nfs/dbraw/zinc/40/22/03/506402203.db2.gz YCLJTMGPEFIXTR-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCC1([NH+](C)C)CCCCCC1)[N@H+]1CCc2ccccc2C1 ZINC000599301436 506402209 /nfs/dbraw/zinc/40/22/09/506402209.db2.gz YCLJTMGPEFIXTR-GOSISDBHSA-N 2 1 357.542 3.204 20 0 FGADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000582890619 506474234 /nfs/dbraw/zinc/47/42/34/506474234.db2.gz NQGXWPFLQRDWBU-QGZVFWFLSA-N 2 1 363.465 3.382 20 0 FGADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)cc1 ZINC000596651506 506511527 /nfs/dbraw/zinc/51/15/27/506511527.db2.gz VBNILCCAKKLRPI-KXEYLTKFSA-N 2 1 374.525 3.098 20 0 FGADMP COC(=O)c1oc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1C ZINC000597054883 506752810 /nfs/dbraw/zinc/75/28/10/506752810.db2.gz WJIPIXZOBCSEKL-SFHVURJKSA-N 2 1 356.466 3.029 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1Cl ZINC000597133942 506794347 /nfs/dbraw/zinc/79/43/47/506794347.db2.gz YEMOHDINSKOYRZ-MRXNPFEDSA-N 2 1 350.890 3.290 20 0 FGADMP CCOC(=O)[C@]1(C)CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000597238402 506853062 /nfs/dbraw/zinc/85/30/62/506853062.db2.gz IHVZQSGNSSFMNE-RBBKRZOGSA-N 2 1 358.526 3.405 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000604631949 506896167 /nfs/dbraw/zinc/89/61/67/506896167.db2.gz JQOVXGNYXADFKW-LJQANCHMSA-N 2 1 364.578 3.158 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000594103884 506940721 /nfs/dbraw/zinc/94/07/21/506940721.db2.gz QHEHDHLGNCTNHF-WTGUMLROSA-N 2 1 366.594 3.307 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCc3ccccc32)CC1 ZINC000590786631 506955680 /nfs/dbraw/zinc/95/56/80/506955680.db2.gz JMSUIXBISSFAQM-SFHVURJKSA-N 2 1 357.542 3.407 20 0 FGADMP Oc1cccc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)c1 ZINC000583885120 507030376 /nfs/dbraw/zinc/03/03/76/507030376.db2.gz AXAOOFWUQUHVPD-OAQYLSRUSA-N 2 1 366.505 3.411 20 0 FGADMP Cc1cccc(OCC[N@H+](C)C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000613341073 507039784 /nfs/dbraw/zinc/03/97/84/507039784.db2.gz SSPYESNODWEZQD-LJQANCHMSA-N 2 1 367.493 3.333 20 0 FGADMP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)CCCNC(=O)C1CCC1 ZINC000583961967 507072643 /nfs/dbraw/zinc/07/26/43/507072643.db2.gz YSPQYWFNGGBDIB-WIYYLYMNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCNC(=O)C1CCC1 ZINC000583961967 507072653 /nfs/dbraw/zinc/07/26/53/507072653.db2.gz YSPQYWFNGGBDIB-WIYYLYMNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)CCCNC(=O)C1CCC1 ZINC000583961967 507072658 /nfs/dbraw/zinc/07/26/58/507072658.db2.gz YSPQYWFNGGBDIB-WIYYLYMNSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000591083672 507106608 /nfs/dbraw/zinc/10/66/08/507106608.db2.gz ZCWAOVJXAPCCIL-FYYLOGMGSA-N 2 1 373.585 3.331 20 0 FGADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000591083672 507106613 /nfs/dbraw/zinc/10/66/13/507106613.db2.gz ZCWAOVJXAPCCIL-FYYLOGMGSA-N 2 1 373.585 3.331 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1 ZINC000613493217 507117332 /nfs/dbraw/zinc/11/73/32/507117332.db2.gz ZBTCVKONTXNTEI-SFHVURJKSA-N 2 1 357.542 3.408 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1)[NH+]1CCCCC1 ZINC000591128291 507126079 /nfs/dbraw/zinc/12/60/79/507126079.db2.gz SDTCUMVTVLDZFZ-RXVVDRJESA-N 2 1 357.542 3.060 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCCCC1 ZINC000591154644 507134906 /nfs/dbraw/zinc/13/49/06/507134906.db2.gz QPWIYKBCSWMTGB-HMXCVIKNSA-N 2 1 357.542 3.449 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000600835576 507141130 /nfs/dbraw/zinc/14/11/30/507141130.db2.gz FUAIFKHEQCAAKB-OAQYLSRUSA-N 2 1 372.557 3.346 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C1CC1 ZINC000591555148 507290339 /nfs/dbraw/zinc/29/03/39/507290339.db2.gz RXKOEZVGSRQKLQ-QZTJIDSGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[N@H+](C)C1CC1 ZINC000591555148 507290349 /nfs/dbraw/zinc/29/03/49/507290349.db2.gz RXKOEZVGSRQKLQ-QZTJIDSGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](CNC(=O)NCc1ccc(C[NH+]2CCC[C@@H](C)C2)cc1)[N@@H+](C)C1CC1 ZINC000591555148 507290360 /nfs/dbraw/zinc/29/03/60/507290360.db2.gz RXKOEZVGSRQKLQ-QZTJIDSGSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)C1 ZINC000591572872 507297528 /nfs/dbraw/zinc/29/75/28/507297528.db2.gz RCTRWABUPBKSKK-HLAWJBBLSA-N 2 1 370.541 3.092 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nc3ccc(Br)cc3o2)C1 ZINC000584358848 507300302 /nfs/dbraw/zinc/30/03/02/507300302.db2.gz IUIZDPOTGJHDMP-LLVKDONJSA-N 2 1 361.243 3.313 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000605969105 507314837 /nfs/dbraw/zinc/31/48/37/507314837.db2.gz YWTKCHFNINOJKQ-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000605969105 507314847 /nfs/dbraw/zinc/31/48/47/507314847.db2.gz YWTKCHFNINOJKQ-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584409179 507330527 /nfs/dbraw/zinc/33/05/27/507330527.db2.gz AZNBISYRSQVEJZ-QKNQBKEWSA-N 2 1 369.553 3.467 20 0 FGADMP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584409179 507330531 /nfs/dbraw/zinc/33/05/31/507330531.db2.gz AZNBISYRSQVEJZ-QKNQBKEWSA-N 2 1 369.553 3.467 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595016808 507355484 /nfs/dbraw/zinc/35/54/84/507355484.db2.gz XNOAJELIAMWIKK-LRDDRELGSA-N 2 1 370.278 3.210 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(I)cc2)[C@H](C)C1 ZINC000595095625 507389991 /nfs/dbraw/zinc/38/99/91/507389991.db2.gz RTPXMXSJFHAOLX-CZUORRHYSA-N 2 1 372.294 3.154 20 0 FGADMP O=C1C[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CN1C1CC1 ZINC000584670689 507440842 /nfs/dbraw/zinc/44/08/42/507440842.db2.gz LSZDVFLECWJYKW-XMGTWHOFSA-N 2 1 367.537 3.030 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000606684340 507477358 /nfs/dbraw/zinc/47/73/58/507477358.db2.gz QVFXTFCSUJAHFQ-VQTJNVASSA-N 2 1 364.578 3.301 20 0 FGADMP Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CCC[C@@H](CC[NH3+])C3)s2)c1 ZINC000584781806 507500736 /nfs/dbraw/zinc/50/07/36/507500736.db2.gz RANZYYQEVCLARX-INIZCTEOSA-N 2 1 372.538 3.042 20 0 FGADMP Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CCC[C@@H](CC[NH3+])C3)s2)c1 ZINC000584781806 507500741 /nfs/dbraw/zinc/50/07/41/507500741.db2.gz RANZYYQEVCLARX-INIZCTEOSA-N 2 1 372.538 3.042 20 0 FGADMP C[C@@H]([NH2+]C1(C[NH2+]C[C@H]2CNc3ccnn3C2)CCCC1)c1ccccc1 ZINC000606913117 507556095 /nfs/dbraw/zinc/55/60/95/507556095.db2.gz HEYBSERPIWOXIC-MSOLQXFVSA-N 2 1 353.514 3.178 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2nccc3ccccc32)c2cccs2)CC1 ZINC000607166380 507642141 /nfs/dbraw/zinc/64/21/41/507642141.db2.gz CKGMTWDMXBUTID-HXUWFJFHSA-N 2 1 366.534 3.375 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000592404580 507643826 /nfs/dbraw/zinc/64/38/26/507643826.db2.gz SPCOWGPUOBCIMV-INDMIFKZSA-N 2 1 368.562 3.223 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517991 507718203 /nfs/dbraw/zinc/71/82/03/507718203.db2.gz ZCGNAFMXHRELTD-CRAIPNDOSA-N 2 1 356.466 3.375 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517991 507718206 /nfs/dbraw/zinc/71/82/06/507718206.db2.gz ZCGNAFMXHRELTD-CRAIPNDOSA-N 2 1 356.466 3.375 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)CC1 ZINC000602484447 507721932 /nfs/dbraw/zinc/72/19/32/507721932.db2.gz OYQWECARWQMDNS-SFHVURJKSA-N 2 1 374.479 3.113 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4ccc(F)c(F)c4n3)C2)CC1 ZINC000602484447 507721937 /nfs/dbraw/zinc/72/19/37/507721937.db2.gz OYQWECARWQMDNS-SFHVURJKSA-N 2 1 374.479 3.113 20 0 FGADMP Cc1ccc(NCCCNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[nH+]c1 ZINC000501407494 561596836 /nfs/dbraw/zinc/59/68/36/561596836.db2.gz QWVBLOHTFPAGSQ-SFHVURJKSA-N 2 1 361.534 3.002 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000669125178 568086113 /nfs/dbraw/zinc/08/61/13/568086113.db2.gz XPKPPNZNZSNVFE-LQWHRVPQSA-N 2 1 372.557 3.330 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000636954819 568225630 /nfs/dbraw/zinc/22/56/30/568225630.db2.gz VIGQMNOCUWGBLJ-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1CN1CCOCC1 ZINC000643251550 568333966 /nfs/dbraw/zinc/33/39/66/568333966.db2.gz OTVHXLJPXZPNIU-VXKWHMMOSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251550 568333967 /nfs/dbraw/zinc/33/39/67/568333967.db2.gz OTVHXLJPXZPNIU-VXKWHMMOSA-N 2 1 358.526 3.157 20 0 FGADMP c1cc(C[N@@H+]2CCC[C@@H](C[C@@H]3CCOC3)C2)ccc1C[NH+]1CCOCC1 ZINC000643251550 568333968 /nfs/dbraw/zinc/33/39/68/568333968.db2.gz OTVHXLJPXZPNIU-VXKWHMMOSA-N 2 1 358.526 3.157 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820412159 606173359 /nfs/dbraw/zinc/17/33/59/606173359.db2.gz KPERSWWWHNBGDH-OAHLLOKOSA-N 2 1 354.502 3.314 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585282 609325902 /nfs/dbraw/zinc/32/59/02/609325902.db2.gz PCFFCELHBNCCSO-HUUCEWRRSA-N 2 1 360.481 3.311 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529320 609350525 /nfs/dbraw/zinc/35/05/25/609350525.db2.gz GEPGIOHGWCPFJU-DZKIICNBSA-N 2 1 372.492 3.309 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824529320 609350527 /nfs/dbraw/zinc/35/05/27/609350527.db2.gz GEPGIOHGWCPFJU-DZKIICNBSA-N 2 1 372.492 3.309 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000109786175 700537084 /nfs/dbraw/zinc/53/70/84/700537084.db2.gz GTVDCRHDLBNROH-KRWDZBQOSA-N 2 1 353.551 3.440 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)cc2Br)CC1 ZINC000127076256 700756866 /nfs/dbraw/zinc/75/68/66/700756866.db2.gz NTVSHDPUCOWDCY-UHFFFAOYSA-N 2 1 374.754 3.220 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000132757181 700830947 /nfs/dbraw/zinc/83/09/47/700830947.db2.gz LILZTEXHEZZHQL-HNNXBMFYSA-N 2 1 350.507 3.064 20 0 FGADMP COc1ccc(NC(=[NH2+])NC[C@H]2CCC[N@@H+](CC(C)C)C2)cc1Cl ZINC000157393472 705153199 /nfs/dbraw/zinc/15/31/99/705153199.db2.gz SLACLRMVAZRIET-CQSZACIVSA-N 2 1 352.910 3.443 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165056486 705336623 /nfs/dbraw/zinc/33/66/23/705336623.db2.gz DCCDAKMXKAPSGO-GOSISDBHSA-N 2 1 351.922 3.310 20 0 FGADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243708 705614174 /nfs/dbraw/zinc/61/41/74/705614174.db2.gz JICCVUXBXPYZJS-INIZCTEOSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177243708 705614178 /nfs/dbraw/zinc/61/41/78/705614178.db2.gz JICCVUXBXPYZJS-INIZCTEOSA-N 2 1 353.551 3.486 20 0 FGADMP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178469618 705666007 /nfs/dbraw/zinc/66/60/07/705666007.db2.gz WEFAKINMKXPOLD-KDOFPFPSSA-N 2 1 350.503 3.453 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000180442236 705740610 /nfs/dbraw/zinc/74/06/10/705740610.db2.gz CHZAHJPXLXNMRN-DJIMGWMZSA-N 2 1 350.507 3.111 20 0 FGADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(Cl)c1OC ZINC000237346599 713590593 /nfs/dbraw/zinc/59/05/93/713590593.db2.gz JOYSGBFZEZECNT-GASCZTMLSA-N 2 1 370.921 3.336 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)C1 ZINC000245921335 713614089 /nfs/dbraw/zinc/61/40/89/713614089.db2.gz HBCSVIQYIQSOFI-FGTMMUONSA-N 2 1 353.551 3.390 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2Cl)[C@@H](C)C1 ZINC000246321482 713621634 /nfs/dbraw/zinc/62/16/34/713621634.db2.gz FILMHHAJJCRGSP-SNRMKQJTSA-N 2 1 354.922 3.100 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248666248 713655874 /nfs/dbraw/zinc/65/58/74/713655874.db2.gz NMTRZMZFERQSSN-FUHIMQAGSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248666248 713655876 /nfs/dbraw/zinc/65/58/76/713655876.db2.gz NMTRZMZFERQSSN-FUHIMQAGSA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000248666248 713655881 /nfs/dbraw/zinc/65/58/81/713655881.db2.gz NMTRZMZFERQSSN-FUHIMQAGSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000322839820 713813515 /nfs/dbraw/zinc/81/35/15/713813515.db2.gz JMJXLCPMUTYTBE-XWDNEUNKSA-N 2 1 351.535 3.379 20 0 FGADMP FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000394117846 713990881 /nfs/dbraw/zinc/99/08/81/713990881.db2.gz XYONRTHRFXEHKF-INIZCTEOSA-N 2 1 352.404 3.057 20 0 FGADMP FC(F)(F)Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000394117846 713990883 /nfs/dbraw/zinc/99/08/83/713990883.db2.gz XYONRTHRFXEHKF-INIZCTEOSA-N 2 1 352.404 3.057 20 0 FGADMP CC(C)[N@@H+](C)CCNC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000523600042 714243109 /nfs/dbraw/zinc/24/31/09/714243109.db2.gz CZQSKYZDEAYECG-GOSISDBHSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c2ccccc2S1 ZINC000524369983 714280539 /nfs/dbraw/zinc/28/05/39/714280539.db2.gz QQRVTCGPZSDQMW-INIZCTEOSA-N 2 1 361.555 3.178 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCn1ccc2cc(Cl)ccc21 ZINC000577920113 714470966 /nfs/dbraw/zinc/47/09/66/714470966.db2.gz BMMLTEHRQNYOJX-HOJAQTOUSA-N 2 1 361.917 3.478 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(Br)c1O ZINC000642630935 717985873 /nfs/dbraw/zinc/98/58/73/717985873.db2.gz RRKUWOQSGVNRCS-KGLIPLIRSA-N 2 1 369.303 3.270 20 0 FGADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(Br)c1O ZINC000642630935 717985876 /nfs/dbraw/zinc/98/58/76/717985876.db2.gz RRKUWOQSGVNRCS-KGLIPLIRSA-N 2 1 369.303 3.270 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1(C)C ZINC000623413360 715330685 /nfs/dbraw/zinc/33/06/85/715330685.db2.gz SFXWGRZXWQMENH-JKSUJKDBSA-N 2 1 351.485 3.392 20 0 FGADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)ccc1Cl ZINC000623428987 715334596 /nfs/dbraw/zinc/33/45/96/715334596.db2.gz HRHAOSQKBFTSRM-FQEVSTJZSA-N 2 1 360.885 3.075 20 0 FGADMP COc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)ccc1Cl ZINC000623428987 715334599 /nfs/dbraw/zinc/33/45/99/715334599.db2.gz HRHAOSQKBFTSRM-FQEVSTJZSA-N 2 1 360.885 3.075 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CN(c3ccc(Cl)cc3)CCO2)CC1(C)C ZINC000623655316 715380130 /nfs/dbraw/zinc/38/01/30/715380130.db2.gz URZDXWUZEUJCCB-SJLPKXTDSA-N 2 1 351.922 3.008 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCCO3)CC2)cs1 ZINC000623892566 715426190 /nfs/dbraw/zinc/42/61/90/715426190.db2.gz SYXKHKNUXAAPDK-QAPCUYQASA-N 2 1 351.560 3.465 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121307 715477728 /nfs/dbraw/zinc/47/77/28/715477728.db2.gz SVZKIDAQZAXBIK-WMZOPIPTSA-N 2 1 365.949 3.399 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)CC(F)F ZINC000624326736 715512456 /nfs/dbraw/zinc/51/24/56/715512456.db2.gz SSHLHTLAEQXLSN-GUDVDZBRSA-N 2 1 351.485 3.074 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416134 /nfs/dbraw/zinc/41/61/34/724416134.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416136 /nfs/dbraw/zinc/41/61/36/724416136.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000779477314 724416138 /nfs/dbraw/zinc/41/61/38/724416138.db2.gz AREXPXWVGPWAAJ-ROUUACIJSA-N 2 1 353.551 3.297 20 0 FGADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCc1cccs1 ZINC000626062623 715841253 /nfs/dbraw/zinc/84/12/53/715841253.db2.gz ZIEVSAOSJQYEJK-MRXNPFEDSA-N 2 1 359.539 3.337 20 0 FGADMP COc1ncc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000629525248 716303783 /nfs/dbraw/zinc/30/37/83/716303783.db2.gz ZFEHBSYXZUTSIH-BZUAXINKSA-N 2 1 368.319 3.253 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F ZINC000629565061 716309132 /nfs/dbraw/zinc/30/91/32/716309132.db2.gz USKHWLWCXLNGCL-FZMZJTMJSA-N 2 1 363.811 3.128 20 0 FGADMP Cn1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657351 716330931 /nfs/dbraw/zinc/33/09/31/716330931.db2.gz WWXNQWKPHWAXQB-GDBMZVCRSA-N 2 1 352.404 3.046 20 0 FGADMP Cn1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(-c2ccccc2)n1 ZINC000629657351 716330934 /nfs/dbraw/zinc/33/09/34/716330934.db2.gz WWXNQWKPHWAXQB-GDBMZVCRSA-N 2 1 352.404 3.046 20 0 FGADMP Fc1ccc(C(F)(F)F)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629672428 716333244 /nfs/dbraw/zinc/33/32/44/716333244.db2.gz KHFQRKBCSMWFMD-INIZCTEOSA-N 2 1 360.395 3.435 20 0 FGADMP CC(C)c1nc(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000634703484 717108971 /nfs/dbraw/zinc/10/89/71/717108971.db2.gz WZSBVSCGRLURSW-HXUWFJFHSA-N 2 1 359.539 3.036 20 0 FGADMP CC(C)c1nc(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000634703484 717108977 /nfs/dbraw/zinc/10/89/77/717108977.db2.gz WZSBVSCGRLURSW-HXUWFJFHSA-N 2 1 359.539 3.036 20 0 FGADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@@H]1c1cccs1 ZINC000638670536 717474926 /nfs/dbraw/zinc/47/49/26/717474926.db2.gz HXIAEGPTTBVSKQ-XJKSGUPXSA-N 2 1 367.465 3.478 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccn(C(F)F)c2=O)[C@@H]1c1cccs1 ZINC000638670536 717474930 /nfs/dbraw/zinc/47/49/30/717474930.db2.gz HXIAEGPTTBVSKQ-XJKSGUPXSA-N 2 1 367.465 3.478 20 0 FGADMP COc1nsc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000639177858 717527947 /nfs/dbraw/zinc/52/79/47/717527947.db2.gz XQTLCHNAHOYLDE-GFCCVEGCSA-N 2 1 374.348 3.078 20 0 FGADMP COc1nsc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1Br ZINC000639177858 717527950 /nfs/dbraw/zinc/52/79/50/717527950.db2.gz XQTLCHNAHOYLDE-GFCCVEGCSA-N 2 1 374.348 3.078 20 0 FGADMP O=C(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Nc1ccccc1Cl ZINC000639682080 717589869 /nfs/dbraw/zinc/58/98/69/717589869.db2.gz JYUIOSKOGXQCPF-UHFFFAOYSA-N 2 1 358.873 3.276 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2)C1 ZINC000644521984 718117766 /nfs/dbraw/zinc/11/77/66/718117766.db2.gz MSIQOWWNUWTWOB-AEFFLSMTSA-N 2 1 354.922 3.181 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000644525379 718119403 /nfs/dbraw/zinc/11/94/03/718119403.db2.gz BTKYQVNSANBJQF-OCCSQVGLSA-N 2 1 372.296 3.164 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644549863 718122429 /nfs/dbraw/zinc/12/24/29/718122429.db2.gz BHFHUZQXEJCQTD-LAVFITLUSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@](O)(C(F)(F)F)C1 ZINC000644549863 718122432 /nfs/dbraw/zinc/12/24/32/718122432.db2.gz BHFHUZQXEJCQTD-LAVFITLUSA-N 2 1 356.432 3.333 20 0 FGADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(Cl)cc(C[NH+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000646145016 718266588 /nfs/dbraw/zinc/26/65/88/718266588.db2.gz KQSSXIZJRIBHFU-LOHFZDIYSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1CC[C@@H](O)C[NH+]1Cc1cc(Cl)cc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000646145016 718266589 /nfs/dbraw/zinc/26/65/89/718266589.db2.gz KQSSXIZJRIBHFU-LOHFZDIYSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1CC[C@@H](O)C[NH+]1Cc1cc(Cl)cc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1 ZINC000646145016 718266591 /nfs/dbraw/zinc/26/65/91/718266591.db2.gz KQSSXIZJRIBHFU-LOHFZDIYSA-N 2 1 366.933 3.030 20 0 FGADMP Cc1nc([C@H](C)[N@H+](C)CCN2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000647836257 718380253 /nfs/dbraw/zinc/38/02/53/718380253.db2.gz YJEHLVJWEYEJTH-HNNXBMFYSA-N 2 1 362.905 3.201 20 0 FGADMP Cc1nc([C@H](C)[N@@H+](C)CCN2CC[NH2+]CC2)oc1-c1ccc(Cl)cc1 ZINC000647836257 718380256 /nfs/dbraw/zinc/38/02/56/718380256.db2.gz YJEHLVJWEYEJTH-HNNXBMFYSA-N 2 1 362.905 3.201 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccc(Cl)cc1 ZINC000647976827 718391429 /nfs/dbraw/zinc/39/14/29/718391429.db2.gz URYGHSUBBTVDCM-CGTJXYLNSA-N 2 1 363.933 3.229 20 0 FGADMP Cc1ccc(-c2ncc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)s2)cc1 ZINC000648071632 718397779 /nfs/dbraw/zinc/39/77/79/718397779.db2.gz LWAGBSBJOBHWAJ-UHFFFAOYSA-N 2 1 357.523 3.415 20 0 FGADMP Cc1ccc(-c2ncc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)s2)cc1 ZINC000648071632 718397781 /nfs/dbraw/zinc/39/77/81/718397781.db2.gz LWAGBSBJOBHWAJ-UHFFFAOYSA-N 2 1 357.523 3.415 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649342907 718505552 /nfs/dbraw/zinc/50/55/52/718505552.db2.gz WVNUZGYUDYIYEJ-OALUTQOASA-N 2 1 357.885 3.073 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000650722814 718720758 /nfs/dbraw/zinc/72/07/58/718720758.db2.gz BTPRSTYSBYDQJM-KMFMINBZSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000650723389 718720841 /nfs/dbraw/zinc/72/08/41/718720841.db2.gz NFNCZGRVGRYQNC-KBAYOESNSA-N 2 1 358.511 3.066 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000651164126 718775842 /nfs/dbraw/zinc/77/58/42/718775842.db2.gz JWGWSAJPKWWPED-UHFFFAOYSA-N 2 1 352.567 3.203 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)CC3CC[NH+](C)CC3)C2)s1 ZINC000652031103 718901899 /nfs/dbraw/zinc/90/18/99/718901899.db2.gz MCHOYUAUPRTDID-GOSISDBHSA-N 2 1 363.571 3.069 20 0 FGADMP CC[N@H+](CCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000652237922 718925756 /nfs/dbraw/zinc/92/57/56/718925756.db2.gz LMGFNVWUBVEJFS-INIZCTEOSA-N 2 1 367.559 3.029 20 0 FGADMP CC[N@@H+](CCC[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C1CCCCC1 ZINC000652237922 718925757 /nfs/dbraw/zinc/92/57/57/718925757.db2.gz LMGFNVWUBVEJFS-INIZCTEOSA-N 2 1 367.559 3.029 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCOc3ccc(Cl)cc3)C2)C1 ZINC000652347017 718934856 /nfs/dbraw/zinc/93/48/56/718934856.db2.gz OEPSJTZWPOYKSQ-WDYCEAGBSA-N 2 1 352.906 3.327 20 0 FGADMP Cc1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cs2)o1 ZINC000652348479 718935422 /nfs/dbraw/zinc/93/54/22/718935422.db2.gz FKUFBPDHEAUPJY-HDMKZQKVSA-N 2 1 361.511 3.430 20 0 FGADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845929 719239509 /nfs/dbraw/zinc/23/95/09/719239509.db2.gz MMLKZXDOAWABDX-CRAIPNDOSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000654845929 719239515 /nfs/dbraw/zinc/23/95/15/719239515.db2.gz MMLKZXDOAWABDX-CRAIPNDOSA-N 2 1 351.922 3.133 20 0 FGADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(N3CCCC3)cc[nH+]1)CC2 ZINC001164650598 719313150 /nfs/dbraw/zinc/31/31/50/719313150.db2.gz ZHKRMCWKMBLVAF-UHFFFAOYSA-N 2 1 368.529 3.084 20 0 FGADMP Clc1ccc(OCCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655701225 719327324 /nfs/dbraw/zinc/32/73/24/719327324.db2.gz CVKBEYJRXBBKFI-SFHVURJKSA-N 2 1 352.906 3.342 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655711817 719328589 /nfs/dbraw/zinc/32/85/89/719328589.db2.gz NFASYTMRWUHJMC-AZUAARDMSA-N 2 1 351.579 3.120 20 0 FGADMP Cc1nn(-c2cccc(Br)c2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000655777030 719338370 /nfs/dbraw/zinc/33/83/70/719338370.db2.gz QAYNLZSOLYXDTO-CYBMUJFWSA-N 2 1 365.319 3.231 20 0 FGADMP Cc1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)cc1Cl ZINC001164680621 719633350 /nfs/dbraw/zinc/63/33/50/719633350.db2.gz YTTLCNLTKIGVGZ-UHFFFAOYSA-N 2 1 368.312 3.368 20 0 FGADMP Cc1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)cc1Cl ZINC001164680621 719633354 /nfs/dbraw/zinc/63/33/54/719633354.db2.gz YTTLCNLTKIGVGZ-UHFFFAOYSA-N 2 1 368.312 3.368 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3Cc4ccc(Cl)cc4C3)cc2)C1 ZINC000658135789 719761505 /nfs/dbraw/zinc/76/15/05/719761505.db2.gz AUMZIFJSRQRKQS-RTWAWAEBSA-N 2 1 356.897 3.164 20 0 FGADMP CCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658137549 719762152 /nfs/dbraw/zinc/76/21/52/719762152.db2.gz HJKQZSIHDOJUKT-RDTXWAMCSA-N 2 1 359.539 3.431 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659305312 719894128 /nfs/dbraw/zinc/89/41/28/719894128.db2.gz ZUHKEPDGXMKXBS-UHFFFAOYSA-N 2 1 366.284 3.086 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](CCc2nsc3ccccc23)CC1 ZINC000660454073 720050662 /nfs/dbraw/zinc/05/06/62/720050662.db2.gz URDUFASGPCMRIS-UHFFFAOYSA-N 2 1 354.479 3.065 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659111 720093718 /nfs/dbraw/zinc/09/37/18/720093718.db2.gz NGZKRNAZLLRTMN-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659111 720093722 /nfs/dbraw/zinc/09/37/22/720093722.db2.gz NGZKRNAZLLRTMN-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659111 720093726 /nfs/dbraw/zinc/09/37/26/720093726.db2.gz NGZKRNAZLLRTMN-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1nc(-c3cccc(Cl)c3)no1)C2 ZINC000660659111 720093730 /nfs/dbraw/zinc/09/37/30/720093730.db2.gz NGZKRNAZLLRTMN-IBGZPJMESA-N 2 1 360.889 3.350 20 0 FGADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000662153288 720384906 /nfs/dbraw/zinc/38/49/06/720384906.db2.gz AFAGXSDQWVOXLO-GOSISDBHSA-N 2 1 356.432 3.169 20 0 FGADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000662153288 720384911 /nfs/dbraw/zinc/38/49/11/720384911.db2.gz AFAGXSDQWVOXLO-GOSISDBHSA-N 2 1 356.432 3.169 20 0 FGADMP CSc1ccccc1NC(=O)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249226 720404747 /nfs/dbraw/zinc/40/47/47/720404747.db2.gz KAPVDACKQCRBGB-UHFFFAOYSA-N 2 1 355.507 3.125 20 0 FGADMP CSc1ccccc1NC(=O)C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662249226 720404748 /nfs/dbraw/zinc/40/47/48/720404748.db2.gz KAPVDACKQCRBGB-UHFFFAOYSA-N 2 1 355.507 3.125 20 0 FGADMP Fc1cc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280225 720408914 /nfs/dbraw/zinc/40/89/14/720408914.db2.gz NCBBHWILSZHUDO-BBRMVZONSA-N 2 1 369.278 3.246 20 0 FGADMP Fc1cc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)ccc1Br ZINC000662280225 720408917 /nfs/dbraw/zinc/40/89/17/720408917.db2.gz NCBBHWILSZHUDO-BBRMVZONSA-N 2 1 369.278 3.246 20 0 FGADMP C[C@H]1CC2(C[N@@H+]1Cc1ncc(Br)cc1Cl)CC[NH2+]CC2 ZINC000662282584 720409475 /nfs/dbraw/zinc/40/94/75/720409475.db2.gz HNEBLRFZBOJYSM-NSHDSACASA-N 2 1 358.711 3.462 20 0 FGADMP C[C@H]1CC2(C[N@H+]1Cc1ncc(Br)cc1Cl)CC[NH2+]CC2 ZINC000662282584 720409480 /nfs/dbraw/zinc/40/94/80/720409480.db2.gz HNEBLRFZBOJYSM-NSHDSACASA-N 2 1 358.711 3.462 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCSc3ccc(F)cc3F)C2)C1 ZINC000662285551 720410095 /nfs/dbraw/zinc/41/00/95/720410095.db2.gz LJFCFGSSKFOZRK-YSVLISHTSA-N 2 1 356.482 3.275 20 0 FGADMP Clc1ccc([C@@H]2c3ccsc3CC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000662311516 720413654 /nfs/dbraw/zinc/41/36/54/720413654.db2.gz UFFHSXOHRJZVAK-LJQANCHMSA-N 2 1 361.942 3.254 20 0 FGADMP Clc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000662311516 720413657 /nfs/dbraw/zinc/41/36/57/720413657.db2.gz UFFHSXOHRJZVAK-LJQANCHMSA-N 2 1 361.942 3.254 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000662326076 720415743 /nfs/dbraw/zinc/41/57/43/720415743.db2.gz VSFFHXALNKZYNW-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2cccc(OC(F)(F)F)c2)CCO1 ZINC000662326076 720415746 /nfs/dbraw/zinc/41/57/46/720415746.db2.gz VSFFHXALNKZYNW-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420349 720426457 /nfs/dbraw/zinc/42/64/57/720426457.db2.gz FPFKVPQDFFJVJO-DYVFJYSZSA-N 2 1 372.340 3.491 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)c1cccc(Cl)c1Cl ZINC000662420349 720426459 /nfs/dbraw/zinc/42/64/59/720426459.db2.gz FPFKVPQDFFJVJO-DYVFJYSZSA-N 2 1 372.340 3.491 20 0 FGADMP C[C@H](CCNC(=O)c1cc2c(s1)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000662485197 720433421 /nfs/dbraw/zinc/43/34/21/720433421.db2.gz DPXREKHJGVSONQ-OAHLLOKOSA-N 2 1 357.523 3.034 20 0 FGADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484050 720433703 /nfs/dbraw/zinc/43/37/03/720433703.db2.gz FKDLRIHYMIFZII-CXAGYDPISA-N 2 1 372.340 3.444 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662484050 720433704 /nfs/dbraw/zinc/43/37/04/720433704.db2.gz FKDLRIHYMIFZII-CXAGYDPISA-N 2 1 372.340 3.444 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)c2cccc3c2C[NH2+]C3)cc1Br ZINC000662534942 720439358 /nfs/dbraw/zinc/43/93/58/720439358.db2.gz HFKBSGZMFNBXMN-UHFFFAOYSA-N 2 1 374.282 3.366 20 0 FGADMP C[NH2+][C@@H](C(=O)NCC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1Cl ZINC000662546791 720440567 /nfs/dbraw/zinc/44/05/67/720440567.db2.gz ZXQWNPXSTIEUKQ-QGZVFWFLSA-N 2 1 370.324 3.245 20 0 FGADMP O[C@@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2)CC(F)(F)F ZINC000663368283 720506535 /nfs/dbraw/zinc/50/65/35/720506535.db2.gz CSEXLWSAMMVCAO-IAGOWNOFSA-N 2 1 356.432 3.192 20 0 FGADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc4[nH]ccc4c[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164834896 720515822 /nfs/dbraw/zinc/51/58/22/720515822.db2.gz HXCMWUJKWLKKBC-CMKODMSKSA-N 2 1 364.497 3.137 20 0 FGADMP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)cc1 ZINC000665357535 720759162 /nfs/dbraw/zinc/75/91/62/720759162.db2.gz OZOMCEFURXGWGQ-IRXDYDNUSA-N 2 1 366.937 3.115 20 0 FGADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1[nH+]ccc3c1ccn3C)[C@H]2C ZINC001164856154 720941964 /nfs/dbraw/zinc/94/19/64/720941964.db2.gz BSVWQLPGMNPKDA-HNNXBMFYSA-N 2 1 352.486 3.191 20 0 FGADMP CSc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000667461781 721107199 /nfs/dbraw/zinc/10/71/99/721107199.db2.gz MXEKRCWLYIZZFZ-ZDUSSCGKSA-N 2 1 372.966 3.455 20 0 FGADMP CSc1ccc(Cl)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000667461781 721107203 /nfs/dbraw/zinc/10/72/03/721107203.db2.gz MXEKRCWLYIZZFZ-ZDUSSCGKSA-N 2 1 372.966 3.455 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc3ccncc3s2)CC1 ZINC000667564520 721129242 /nfs/dbraw/zinc/12/92/42/721129242.db2.gz OLTXEYAJGKEMMO-IRXDYDNUSA-N 2 1 358.555 3.287 20 0 FGADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc5[nH]ccc5c[nH+]4)CC[N@H+]3C2)c1 ZINC001164898112 721516572 /nfs/dbraw/zinc/51/65/72/721516572.db2.gz HTXNBLIDXJTBHV-FUHWJXTLSA-N 2 1 352.413 3.044 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c(C)n1 ZINC000678411647 721957358 /nfs/dbraw/zinc/95/73/58/721957358.db2.gz IFBYAVFINIFLQJ-APWZRJJASA-N 2 1 358.555 3.399 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1C(F)(F)F ZINC000678600350 721966758 /nfs/dbraw/zinc/96/67/58/721966758.db2.gz MAKCRCIGWQHKJQ-USXIJHARSA-N 2 1 356.432 3.073 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227224 722286668 /nfs/dbraw/zinc/28/66/68/722286668.db2.gz OUFICDQNNONNIZ-KGLIPLIRSA-N 2 1 361.313 3.149 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000683227224 722286669 /nfs/dbraw/zinc/28/66/69/722286669.db2.gz OUFICDQNNONNIZ-KGLIPLIRSA-N 2 1 361.313 3.149 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000700809381 722409928 /nfs/dbraw/zinc/40/99/28/722409928.db2.gz OUVXFIXVIMKUKS-GOSISDBHSA-N 2 1 353.551 3.345 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000720623446 722419393 /nfs/dbraw/zinc/41/93/93/722419393.db2.gz MBFLNOAIBGVGJB-KLUKMEKLSA-N 2 1 351.535 3.237 20 0 FGADMP CCCCCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000732269079 722483296 /nfs/dbraw/zinc/48/32/96/722483296.db2.gz PTZMAPXZBNFYAC-MRXNPFEDSA-N 2 1 351.560 3.123 20 0 FGADMP CCCCCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+]1CCc2sccc2C1 ZINC000732269079 722483297 /nfs/dbraw/zinc/48/32/97/722483297.db2.gz PTZMAPXZBNFYAC-MRXNPFEDSA-N 2 1 351.560 3.123 20 0 FGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1 ZINC000732269079 722483298 /nfs/dbraw/zinc/48/32/98/722483298.db2.gz PTZMAPXZBNFYAC-MRXNPFEDSA-N 2 1 351.560 3.123 20 0 FGADMP CCCCCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1 ZINC000732269079 722483299 /nfs/dbraw/zinc/48/32/99/722483299.db2.gz PTZMAPXZBNFYAC-MRXNPFEDSA-N 2 1 351.560 3.123 20 0 FGADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)cc3)C2)nc(N)[nH+]1 ZINC000733993333 722503164 /nfs/dbraw/zinc/50/31/64/722503164.db2.gz MEVLNNPDGGFMKF-CQSZACIVSA-N 2 1 351.376 3.072 20 0 FGADMP S=c1oc2ccccc2n1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000738112119 722528670 /nfs/dbraw/zinc/52/86/70/722528670.db2.gz SNSATYQRAQZPKQ-UHFFFAOYSA-N 2 1 361.511 3.356 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1C ZINC000740883987 722539014 /nfs/dbraw/zinc/53/90/14/722539014.db2.gz RGTMIWDUKXBZBI-RRQGHBQHSA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1C ZINC000740883987 722539015 /nfs/dbraw/zinc/53/90/15/722539015.db2.gz RGTMIWDUKXBZBI-RRQGHBQHSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1C ZINC000740883987 722539016 /nfs/dbraw/zinc/53/90/16/722539016.db2.gz RGTMIWDUKXBZBI-RRQGHBQHSA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(Br)cc2)C[C@@H]1C ZINC000740883987 722539017 /nfs/dbraw/zinc/53/90/17/722539017.db2.gz RGTMIWDUKXBZBI-RRQGHBQHSA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1c(C)cccc1C ZINC000751008945 722790186 /nfs/dbraw/zinc/79/01/86/722790186.db2.gz AHHNOGDKEHPQJX-SFHVURJKSA-N 2 1 362.587 3.348 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577799 722814504 /nfs/dbraw/zinc/81/45/04/722814504.db2.gz VLNPTYBUHFZNII-ZQIUZPCESA-N 2 1 355.320 3.287 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577799 722814508 /nfs/dbraw/zinc/81/45/08/722814508.db2.gz VLNPTYBUHFZNII-ZQIUZPCESA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577799 722814511 /nfs/dbraw/zinc/81/45/11/722814511.db2.gz VLNPTYBUHFZNII-ZQIUZPCESA-N 2 1 355.320 3.287 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccccc2Br)C[C@@H]1C ZINC000751577799 722814514 /nfs/dbraw/zinc/81/45/14/722814514.db2.gz VLNPTYBUHFZNII-ZQIUZPCESA-N 2 1 355.320 3.287 20 0 FGADMP CN(C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000760832272 723096345 /nfs/dbraw/zinc/09/63/45/723096345.db2.gz WXLIGPPMHBPHRW-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832272 723096348 /nfs/dbraw/zinc/09/63/48/723096348.db2.gz WXLIGPPMHBPHRW-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP CN(C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1)C(=O)OC(C)(C)C ZINC000760832272 723096350 /nfs/dbraw/zinc/09/63/50/723096350.db2.gz WXLIGPPMHBPHRW-ROUUACIJSA-N 2 1 353.551 3.440 20 0 FGADMP C[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000760898369 723103013 /nfs/dbraw/zinc/10/30/13/723103013.db2.gz RVMJPBPGNXCCQP-CQSZACIVSA-N 2 1 374.497 3.456 20 0 FGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000761201463 723132970 /nfs/dbraw/zinc/13/29/70/723132970.db2.gz AIFPRBPLHLKPMT-WBVHZDCISA-N 2 1 351.535 3.238 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000767428815 723619026 /nfs/dbraw/zinc/61/90/26/723619026.db2.gz IWXDEJYJGOREHZ-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000767428815 723619028 /nfs/dbraw/zinc/61/90/28/723619028.db2.gz IWXDEJYJGOREHZ-DOTOQJQBSA-N 2 1 350.507 3.207 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[N@@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144749 723623449 /nfs/dbraw/zinc/62/34/49/723623449.db2.gz YJPGLTKIBJLKLN-WMZOPIPTSA-N 2 1 356.432 3.342 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[N@H+]1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000796144749 723623451 /nfs/dbraw/zinc/62/34/51/723623451.db2.gz YJPGLTKIBJLKLN-WMZOPIPTSA-N 2 1 356.432 3.342 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)s1 ZINC000796358574 723634456 /nfs/dbraw/zinc/63/44/56/723634456.db2.gz OHDQRPAVPGBBCT-UONOGXRCSA-N 2 1 368.547 3.130 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H](C)C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000772875165 723770381 /nfs/dbraw/zinc/77/03/81/723770381.db2.gz LGFRWSHOGQWTHW-KURKYZTESA-N 2 1 353.551 3.486 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000772875726 723770387 /nfs/dbraw/zinc/77/03/87/723770387.db2.gz WIAXFOZQEWAITC-WBVHZDCISA-N 2 1 350.507 3.349 20 0 FGADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccc(Br)cc1 ZINC000774200062 723868373 /nfs/dbraw/zinc/86/83/73/723868373.db2.gz FGBNGBJGIWGQCP-WWTUQBGBSA-N 2 1 353.304 3.431 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635354 723912755 /nfs/dbraw/zinc/91/27/55/723912755.db2.gz CYFIIDWSVHSFAT-RVSPLBMKSA-N 2 1 373.310 3.426 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635354 723912758 /nfs/dbraw/zinc/91/27/58/723912758.db2.gz CYFIIDWSVHSFAT-RVSPLBMKSA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635354 723912761 /nfs/dbraw/zinc/91/27/61/723912761.db2.gz CYFIIDWSVHSFAT-RVSPLBMKSA-N 2 1 373.310 3.426 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)C[C@@H]1C ZINC000774635354 723912766 /nfs/dbraw/zinc/91/27/66/723912766.db2.gz CYFIIDWSVHSFAT-RVSPLBMKSA-N 2 1 373.310 3.426 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336123 726862744 /nfs/dbraw/zinc/86/27/44/726862744.db2.gz LRYSVGABQOHOQW-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336123 726862746 /nfs/dbraw/zinc/86/27/46/726862746.db2.gz LRYSVGABQOHOQW-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)C1 ZINC000813336123 726862749 /nfs/dbraw/zinc/86/27/49/726862749.db2.gz LRYSVGABQOHOQW-KURKYZTESA-N 2 1 353.551 3.296 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143189 727044139 /nfs/dbraw/zinc/04/41/39/727044139.db2.gz GJQILTJMRZLCSZ-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143189 727044141 /nfs/dbraw/zinc/04/41/41/727044141.db2.gz GJQILTJMRZLCSZ-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000815143189 727044144 /nfs/dbraw/zinc/04/41/44/727044144.db2.gz GJQILTJMRZLCSZ-YLJYHZDGSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934151 727288341 /nfs/dbraw/zinc/28/83/41/727288341.db2.gz BDFDJXIXYRUKKW-KKXDTOCCSA-N 2 1 363.299 3.031 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000818966272 727331749 /nfs/dbraw/zinc/33/17/49/727331749.db2.gz PSNLMYYMTQJECD-BDJLRTHQSA-N 2 1 370.266 3.052 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819100844 727347297 /nfs/dbraw/zinc/34/72/97/727347297.db2.gz JIGSFHAAPVAQOC-INIZCTEOSA-N 2 1 352.276 3.057 20 0 FGADMP Cc1c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000827856373 729436063 /nfs/dbraw/zinc/43/60/63/729436063.db2.gz NLJJMANRQHBDGA-MRXNPFEDSA-N 2 1 362.543 3.159 20 0 FGADMP Cc1c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)sc2nc(C)nc(C)c12 ZINC000827856373 729436064 /nfs/dbraw/zinc/43/60/64/729436064.db2.gz NLJJMANRQHBDGA-MRXNPFEDSA-N 2 1 362.543 3.159 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000832646358 729724566 /nfs/dbraw/zinc/72/45/66/729724566.db2.gz XAANHWPVFOMKRV-INIZCTEOSA-N 2 1 350.507 3.349 20 0 FGADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000834508757 729808507 /nfs/dbraw/zinc/80/85/07/729808507.db2.gz QGJVHUTVIFZPAZ-RYQLBKOJSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000834911620 729845828 /nfs/dbraw/zinc/84/58/28/729845828.db2.gz ZOIRTOWCZFQRAQ-CYBMUJFWSA-N 2 1 360.470 3.208 20 0 FGADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000840808732 730177388 /nfs/dbraw/zinc/17/73/88/730177388.db2.gz OPEDWRSWZMFJEZ-ZIAGYGMSSA-N 2 1 360.470 3.065 20 0 FGADMP Cc1n[nH]cc1C[NH+](C)CC[Si](C)(C)CC[N@H+](C)Cc1c[nH]nc1C ZINC000879188319 736965739 /nfs/dbraw/zinc/96/57/39/736965739.db2.gz JZEXHPVWJGUZFS-UHFFFAOYSA-N 2 1 362.598 3.022 20 0 FGADMP C[C@H](O)c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108495 730586343 /nfs/dbraw/zinc/58/63/43/730586343.db2.gz OPGYIUNXWNCVTP-WDYCEAGBSA-N 2 1 359.539 3.369 20 0 FGADMP C[C@H](O)c1ncc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)s1 ZINC000843108495 730586346 /nfs/dbraw/zinc/58/63/46/730586346.db2.gz OPGYIUNXWNCVTP-WDYCEAGBSA-N 2 1 359.539 3.369 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]([NH3+])CC(F)F)n2)cc1 ZINC000843200642 730594008 /nfs/dbraw/zinc/59/40/08/730594008.db2.gz OTADBFVZLMFNGG-CQSZACIVSA-N 2 1 354.401 3.112 20 0 FGADMP C[C@@H](NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000843354213 730609812 /nfs/dbraw/zinc/60/98/12/730609812.db2.gz YTNKSAMBXAXOIQ-LMWSTFAQSA-N 2 1 358.313 3.372 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364012 730611069 /nfs/dbraw/zinc/61/10/69/730611069.db2.gz KCEPKGVWLWJJAV-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364012 730611071 /nfs/dbraw/zinc/61/10/71/730611071.db2.gz KCEPKGVWLWJJAV-LBPRGKRZSA-N 2 1 356.297 3.396 20 0 FGADMP Cn1c(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cnc1Cl ZINC000848547163 731178966 /nfs/dbraw/zinc/17/89/66/731178966.db2.gz LBFNTGJWPIJXPU-BHIYHBOVSA-N 2 1 358.917 3.464 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCc1cccc(C(F)(F)F)c1 ZINC000849066437 731225309 /nfs/dbraw/zinc/22/53/09/731225309.db2.gz FCXLIWMZQGXVLD-INIZCTEOSA-N 2 1 356.436 3.236 20 0 FGADMP [NH2+]=C(NCCc1cccs1)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000849068526 731225876 /nfs/dbraw/zinc/22/58/76/731225876.db2.gz NMLZMFMTQVNOLD-GOSISDBHSA-N 2 1 356.539 3.317 20 0 FGADMP C[C@H](NC(=[NH2+])NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(Cl)cc1Cl ZINC000849074202 731225955 /nfs/dbraw/zinc/22/59/55/731225955.db2.gz GIPOAACIHYYRKW-FPMFFAJLSA-N 2 1 371.312 3.032 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000853819858 731758450 /nfs/dbraw/zinc/75/84/50/731758450.db2.gz CVWMGZYAVJPNIG-GOSISDBHSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C)nc2Br)c1 ZINC000858100730 732180548 /nfs/dbraw/zinc/18/05/48/732180548.db2.gz XPADDJGTZPSXDC-UHFFFAOYSA-N 2 1 365.319 3.314 20 0 FGADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Br)cc1F ZINC000858161851 732187705 /nfs/dbraw/zinc/18/77/05/732187705.db2.gz GODKYXJFJNSIEN-UHFFFAOYSA-N 2 1 372.326 3.012 20 0 FGADMP C[C@@H]1C[N@H+]([C@@H]2CC[NH+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165439 732188383 /nfs/dbraw/zinc/18/83/83/732188383.db2.gz SZCBIXHSKPSQGG-JXXFODFXSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@H+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165439 732188386 /nfs/dbraw/zinc/18/83/86/732188386.db2.gz SZCBIXHSKPSQGG-JXXFODFXSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]1C[NH+]([C@@H]2CC[N@@H+](C)C(C)(C)C2)C[C@@]1(C)CNC(=O)OC(C)(C)C ZINC000858165439 732188389 /nfs/dbraw/zinc/18/83/89/732188389.db2.gz SZCBIXHSKPSQGG-JXXFODFXSA-N 2 1 353.551 3.342 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000865437720 733201223 /nfs/dbraw/zinc/20/12/23/733201223.db2.gz CZGGDEPRYONFCT-JLAWEPINSA-N 2 1 363.571 3.245 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000865437720 733201228 /nfs/dbraw/zinc/20/12/28/733201228.db2.gz CZGGDEPRYONFCT-JLAWEPINSA-N 2 1 363.571 3.245 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C1 ZINC000865449769 733203455 /nfs/dbraw/zinc/20/34/55/733203455.db2.gz FBAQDGAOHUOFPH-CABCVRRESA-N 2 1 363.493 3.245 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000865476137 733208994 /nfs/dbraw/zinc/20/89/94/733208994.db2.gz UPNPBPYRFRFSOU-CBJHCWRLSA-N 2 1 363.571 3.416 20 0 FGADMP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000865476137 733209000 /nfs/dbraw/zinc/20/90/00/733209000.db2.gz UPNPBPYRFRFSOU-CBJHCWRLSA-N 2 1 363.571 3.416 20 0 FGADMP C[C@@H]([NH2+]Cc1nn(C)cc1C(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000866562770 733366790 /nfs/dbraw/zinc/36/67/90/733366790.db2.gz FWXSMMZQCSGZQI-CYBMUJFWSA-N 2 1 352.429 3.149 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868103221 733556505 /nfs/dbraw/zinc/55/65/05/733556505.db2.gz QBGVEYXGONVFNP-PGYGNJIDSA-N 2 1 352.567 3.061 20 0 FGADMP C[NH+]1CCC([NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872017889 735576647 /nfs/dbraw/zinc/57/66/47/735576647.db2.gz GIDLCPALQMAHLU-YOEHRIQHSA-N 2 1 353.304 3.211 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)C1 ZINC000872035133 735579650 /nfs/dbraw/zinc/57/96/50/735579650.db2.gz LODUDFDKYDGEHP-HFTRVMKXSA-N 2 1 367.331 3.458 20 0 FGADMP CCS[C@H](C)c1noc(CC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000872176314 735600274 /nfs/dbraw/zinc/60/02/74/735600274.db2.gz SFHUVQPDBXYPTD-OAHLLOKOSA-N 2 1 360.527 3.420 20 0 FGADMP CCO[P@@](C)(=O)CC[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000876896753 736159598 /nfs/dbraw/zinc/15/95/98/736159598.db2.gz MDOOZCGOSWNVRH-CRICUBBOSA-N 2 1 368.458 3.331 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CC(C)(C)OC3(C)C)CC2)CC1 ZINC000878721228 736911081 /nfs/dbraw/zinc/91/10/81/736911081.db2.gz FLXDEPDFFPJPHQ-SFHVURJKSA-N 2 1 351.579 3.072 20 0 FGADMP C[NH+]1CCC2(CC[N@@H+](CC[C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000878864085 736927003 /nfs/dbraw/zinc/92/70/03/736927003.db2.gz PMFRGNHKKHRQLN-KRWDZBQOSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CCC2(CC1)CC[NH+](Cc1nc3ccc(Cl)cc3c(=O)[nH]1)CC2 ZINC000879249326 736972756 /nfs/dbraw/zinc/97/27/56/736972756.db2.gz MZXRIONZUYOLCE-UHFFFAOYSA-N 2 1 360.889 3.297 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)nc1C ZINC000879679974 737031427 /nfs/dbraw/zinc/03/14/27/737031427.db2.gz XUROYRVAHXKZPQ-INIZCTEOSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)nc1C ZINC000879679974 737031428 /nfs/dbraw/zinc/03/14/28/737031428.db2.gz XUROYRVAHXKZPQ-INIZCTEOSA-N 2 1 365.543 3.292 20 0 FGADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956820 739202990 /nfs/dbraw/zinc/20/29/90/739202990.db2.gz ZKDHUDRGVABMBP-MSOLQXFVSA-N 2 1 364.555 3.278 20 0 FGADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCOC4(CCOCC4)C3)C2)c1 ZINC000885956820 739202996 /nfs/dbraw/zinc/20/29/96/739202996.db2.gz ZKDHUDRGVABMBP-MSOLQXFVSA-N 2 1 364.555 3.278 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000891725805 739931620 /nfs/dbraw/zinc/93/16/20/739931620.db2.gz BCJBKVSWHXNTNN-ROUUACIJSA-N 2 1 366.937 3.246 20 0 FGADMP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000891725805 739931621 /nfs/dbraw/zinc/93/16/21/739931621.db2.gz BCJBKVSWHXNTNN-ROUUACIJSA-N 2 1 366.937 3.246 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C(F)(F)F ZINC000894742262 742325935 /nfs/dbraw/zinc/32/59/35/742325935.db2.gz AVDDFEWYNFDRJD-SQABHXLBSA-N 2 1 362.436 3.112 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H](c2ccccn2)C2CC2)c2cccs2)CC1 ZINC000903055286 743800414 /nfs/dbraw/zinc/80/04/14/743800414.db2.gz BBULYXJXDDOBCM-AZUAARDMSA-N 2 1 356.539 3.173 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000903164460 743815337 /nfs/dbraw/zinc/81/53/37/743815337.db2.gz HUDMEGWEFZTIDZ-NMACRGETSA-N 2 1 362.539 3.289 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cc1 ZINC000903164460 743815342 /nfs/dbraw/zinc/81/53/42/743815342.db2.gz HUDMEGWEFZTIDZ-NMACRGETSA-N 2 1 362.539 3.289 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903168640 743816054 /nfs/dbraw/zinc/81/60/54/743816054.db2.gz YWTUSVAWPPGTSS-VHRNVKJDSA-N 2 1 355.404 3.270 20 0 FGADMP FC(F)(F)COc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903168640 743816059 /nfs/dbraw/zinc/81/60/59/743816059.db2.gz YWTUSVAWPPGTSS-VHRNVKJDSA-N 2 1 355.404 3.270 20 0 FGADMP C[C@@]1(C[NH+]2CCC(C(=O)c3c(F)cc(F)cc3F)CC2)CCC[NH2+]C1 ZINC000904341873 743948308 /nfs/dbraw/zinc/94/83/08/743948308.db2.gz YCTKGIRADLJHPH-LJQANCHMSA-N 2 1 354.416 3.388 20 0 FGADMP CCC(CC)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757294 762160094 /nfs/dbraw/zinc/16/00/94/762160094.db2.gz YPNRBHAUWSTQRX-OTWHNJEPSA-N 2 1 351.579 3.370 20 0 FGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757294 762160098 /nfs/dbraw/zinc/16/00/98/762160098.db2.gz YPNRBHAUWSTQRX-OTWHNJEPSA-N 2 1 351.579 3.370 20 0 FGADMP CCC(CC)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C(C)(C)C1 ZINC000940757294 762160107 /nfs/dbraw/zinc/16/01/07/762160107.db2.gz YPNRBHAUWSTQRX-OTWHNJEPSA-N 2 1 351.579 3.370 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccc(Cl)s2)CC1 ZINC000919861509 758483280 /nfs/dbraw/zinc/48/32/80/758483280.db2.gz XVKHTEMBQUZWRZ-HYXAFXHYSA-N 2 1 362.886 3.200 20 0 FGADMP Cc1nn(C)c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c1Cl ZINC000921723893 758779883 /nfs/dbraw/zinc/77/98/83/758779883.db2.gz FCLDZPPZHCWPCS-UHFFFAOYSA-N 2 1 362.905 3.146 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C/C=C/c1ccc(F)cc1F)C2 ZINC000922387417 758909383 /nfs/dbraw/zinc/90/93/83/758909383.db2.gz KRWDXRJNTCRZQR-PNCFCEPOSA-N 2 1 350.453 3.047 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(CC(C)C)s3)C2)[C@H]1C(C)C ZINC000922393942 758913695 /nfs/dbraw/zinc/91/36/95/758913695.db2.gz NZUFPCJHLQTGJL-HNBVOPMISA-N 2 1 365.587 3.301 20 0 FGADMP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000923291227 759096202 /nfs/dbraw/zinc/09/62/02/759096202.db2.gz CBLLXVIIHOFMME-SFHVURJKSA-N 2 1 356.432 3.073 20 0 FGADMP COc1ccc(OCc2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923497244 759132014 /nfs/dbraw/zinc/13/20/14/759132014.db2.gz DETITEZPSHENHT-GJZGRUSLSA-N 2 1 361.511 3.147 20 0 FGADMP COc1ccc(OCc2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923497244 759132019 /nfs/dbraw/zinc/13/20/19/759132019.db2.gz DETITEZPSHENHT-GJZGRUSLSA-N 2 1 361.511 3.147 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c2cccs2)CC1 ZINC000924530690 759352289 /nfs/dbraw/zinc/35/22/89/759352289.db2.gz AAGRBIRCPHPOPZ-HMQMGEFJSA-N 2 1 351.585 3.053 20 0 FGADMP Brc1cnc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CCC2 ZINC000924648119 759367999 /nfs/dbraw/zinc/36/79/99/759367999.db2.gz KPZJPHXFVSFRJE-WBMJQRKESA-N 2 1 350.304 3.295 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)C1(Cl)CC1 ZINC000924929949 759419802 /nfs/dbraw/zinc/41/98/02/759419802.db2.gz OBFFTFTVBGERGB-MRXNPFEDSA-N 2 1 366.933 3.426 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)[C@H]1c1cccs1 ZINC000925133395 759452638 /nfs/dbraw/zinc/45/26/38/759452638.db2.gz CVQYZNFQMLHCAS-NXHRZFHOSA-N 2 1 350.528 3.059 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCOC23CCOCC3)[C@H]1c1cccs1 ZINC000925133395 759452641 /nfs/dbraw/zinc/45/26/41/759452641.db2.gz CVQYZNFQMLHCAS-NXHRZFHOSA-N 2 1 350.528 3.059 20 0 FGADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926124613 759657130 /nfs/dbraw/zinc/65/71/30/759657130.db2.gz HSEGRRWCXMGOPZ-APWZRJJASA-N 2 1 357.885 3.079 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCc3c2nccc3Cl)C1 ZINC000926124613 759657134 /nfs/dbraw/zinc/65/71/34/759657134.db2.gz HSEGRRWCXMGOPZ-APWZRJJASA-N 2 1 357.885 3.079 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@]23CCC[C@H]2N(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000927005806 759875197 /nfs/dbraw/zinc/87/51/97/759875197.db2.gz PJACHRNKWIHOLX-AXVVYFOYSA-N 2 1 351.535 3.238 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455251 /nfs/dbraw/zinc/45/52/51/760455251.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455257 /nfs/dbraw/zinc/45/52/57/760455257.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000929778423 760455264 /nfs/dbraw/zinc/45/52/64/760455264.db2.gz IWWLLDZKOLDTHH-KURKYZTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)CCC2(O)CCC2)CC1 ZINC000929841079 760468273 /nfs/dbraw/zinc/46/82/73/760468273.db2.gz KBJFDBKFBPSICY-AZUAARDMSA-N 2 1 352.563 3.019 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(Cc3nnc(-c4cc5c(s4)CCCC5)o3)C[C@@H]2C1 ZINC000931431955 760859967 /nfs/dbraw/zinc/85/99/67/760859967.db2.gz GWTGFWIJSZFQHC-CABCVRRESA-N 2 1 358.511 3.060 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@@H]2C1 ZINC000931441330 760862833 /nfs/dbraw/zinc/86/28/33/760862833.db2.gz GJXKISFPEDSTKE-MUQADHOPSA-N 2 1 354.416 3.052 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@@H]2C1 ZINC000931441330 760862847 /nfs/dbraw/zinc/86/28/47/760862847.db2.gz GJXKISFPEDSTKE-MUQADHOPSA-N 2 1 354.416 3.052 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H]3Cc4ccccc4O[C@H]3C(F)(F)F)C[C@@H]2C1 ZINC000931441330 760862858 /nfs/dbraw/zinc/86/28/58/760862858.db2.gz GJXKISFPEDSTKE-MUQADHOPSA-N 2 1 354.416 3.052 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932696859 761221028 /nfs/dbraw/zinc/22/10/28/761221028.db2.gz LQXSNBBKGIZFAS-QGZVFWFLSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CCNC(=O)OC(C)(C)C)C1 ZINC000932696859 761221034 /nfs/dbraw/zinc/22/10/34/761221034.db2.gz LQXSNBBKGIZFAS-QGZVFWFLSA-N 2 1 350.507 3.208 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562263 762912485 /nfs/dbraw/zinc/91/24/85/762912485.db2.gz DTJZVHCAGNBCME-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562263 762912486 /nfs/dbraw/zinc/91/24/86/762912486.db2.gz DTJZVHCAGNBCME-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562263 762912488 /nfs/dbraw/zinc/91/24/88/762912488.db2.gz DTJZVHCAGNBCME-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000971562263 762912490 /nfs/dbraw/zinc/91/24/90/762912490.db2.gz DTJZVHCAGNBCME-BPQIPLTHSA-N 2 1 363.933 3.021 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1cccc(Cl)c1 ZINC000983705460 763659506 /nfs/dbraw/zinc/65/95/06/763659506.db2.gz VCDUVHIGWSGIOW-GLIGQWPOSA-N 2 1 363.933 3.226 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[NH+](Cc2ccsc2)CC3)CC[N@H+]1C ZINC000990761495 764561175 /nfs/dbraw/zinc/56/11/75/764561175.db2.gz IUIQUHJLAPGCMD-XFKSJGNHSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761495 764561183 /nfs/dbraw/zinc/56/11/83/764561183.db2.gz IUIQUHJLAPGCMD-XFKSJGNHSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]23CCC[C@H]2[N@@H+](Cc2ccsc2)CC3)CC[NH+]1C ZINC000990761495 764561189 /nfs/dbraw/zinc/56/11/89/764561189.db2.gz IUIQUHJLAPGCMD-XFKSJGNHSA-N 2 1 361.555 3.092 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@@H+]1C ZINC001007370670 765589500 /nfs/dbraw/zinc/58/95/00/765589500.db2.gz ZNLBMMKUFQCKNY-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001007370670 765589507 /nfs/dbraw/zinc/58/95/07/765589507.db2.gz ZNLBMMKUFQCKNY-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001007370670 765589512 /nfs/dbraw/zinc/58/95/12/765589512.db2.gz ZNLBMMKUFQCKNY-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001007370670 765589518 /nfs/dbraw/zinc/58/95/18/765589518.db2.gz ZNLBMMKUFQCKNY-JENIJYKNSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]Cc3cccc(Cl)c3Cl)C2)CC[N@H+]1C ZINC001020172054 765865787 /nfs/dbraw/zinc/86/57/87/765865787.db2.gz KKRWZSLJMGBJAL-NMFUWQPSSA-N 2 1 370.324 3.070 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001024967582 766064720 /nfs/dbraw/zinc/06/47/20/766064720.db2.gz XHDIRKZWHHBPIF-ATZDWAIDSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001027895355 766105661 /nfs/dbraw/zinc/10/56/61/766105661.db2.gz WANHLPMRVHKMLJ-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027895355 766105667 /nfs/dbraw/zinc/10/56/67/766105667.db2.gz WANHLPMRVHKMLJ-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001027895355 766105675 /nfs/dbraw/zinc/10/56/75/766105675.db2.gz WANHLPMRVHKMLJ-IXDOHACOSA-N 2 1 363.933 3.069 20 0 FGADMP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(Cl)c1 ZINC001034939619 766250618 /nfs/dbraw/zinc/25/06/18/766250618.db2.gz HTFBWHQBGKAJBU-KBAYOESNSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001052394219 766898914 /nfs/dbraw/zinc/89/89/14/766898914.db2.gz BINAZFJGGZQGJA-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3csc(C)c3)CC2)CC[NH+]1C ZINC001052394219 766898925 /nfs/dbraw/zinc/89/89/25/766898925.db2.gz BINAZFJGGZQGJA-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3csc(C)c3)CC2)CC[NH+]1C ZINC001052394219 766898937 /nfs/dbraw/zinc/89/89/37/766898937.db2.gz BINAZFJGGZQGJA-GBESFXJTSA-N 2 1 363.571 3.258 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[NH+](Cc3ccc(Cl)cc3)CC2)CC[N@H+]1C ZINC001052392183 766899352 /nfs/dbraw/zinc/89/93/52/766899352.db2.gz VGCIJTWOPSSTNW-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC001052392183 766899365 /nfs/dbraw/zinc/89/93/65/766899365.db2.gz VGCIJTWOPSSTNW-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC[NH+]1C ZINC001052392183 766899379 /nfs/dbraw/zinc/89/93/79/766899379.db2.gz VGCIJTWOPSSTNW-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629922 223121440 /nfs/dbraw/zinc/12/14/40/223121440.db2.gz ITYYAZABHDWTSL-MSYGRNIXSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629922 223121441 /nfs/dbraw/zinc/12/14/41/223121441.db2.gz ITYYAZABHDWTSL-MSYGRNIXSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629922 223121445 /nfs/dbraw/zinc/12/14/45/223121445.db2.gz ITYYAZABHDWTSL-MSYGRNIXSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328629922 223121446 /nfs/dbraw/zinc/12/14/46/223121446.db2.gz ITYYAZABHDWTSL-MSYGRNIXSA-N 2 1 364.537 3.185 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000779021878 724381454 /nfs/dbraw/zinc/38/14/54/724381454.db2.gz ZKKXFNJUXXKEDG-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000097102803 222160405 /nfs/dbraw/zinc/16/04/05/222160405.db2.gz BXELFMDGJJUYMT-FXAWDEMLSA-N 2 1 361.493 3.163 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)Cc1ccccc1C(F)(F)F ZINC000536848637 503740317 /nfs/dbraw/zinc/74/03/17/503740317.db2.gz ZEEPHVXBNWQLDN-ATNYBXOESA-N 2 1 358.448 3.175 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000567940456 505579848 /nfs/dbraw/zinc/57/98/48/505579848.db2.gz YHKYQCHLCCTIDX-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000567940456 505579852 /nfs/dbraw/zinc/57/98/52/505579852.db2.gz YHKYQCHLCCTIDX-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000567940456 505579855 /nfs/dbraw/zinc/57/98/55/505579855.db2.gz YHKYQCHLCCTIDX-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000567966292 505584556 /nfs/dbraw/zinc/58/45/56/505584556.db2.gz DDSNCNIPAKTUJA-LJQANCHMSA-N 2 1 367.518 3.061 20 0 FGADMP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)c(C)c1OC ZINC000570810421 505586073 /nfs/dbraw/zinc/58/60/73/505586073.db2.gz OMBOVMFXEZJEEQ-UHFFFAOYSA-N 2 1 370.493 3.134 20 0 FGADMP O=C([C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000567982801 505590163 /nfs/dbraw/zinc/59/01/63/505590163.db2.gz RRNCUDJBCDSJLO-SBHAEUEKSA-N 2 1 373.516 3.028 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000584200529 507208216 /nfs/dbraw/zinc/20/82/16/507208216.db2.gz CIZOUZZVQRXZST-NVXWUHKLSA-N 2 1 369.347 3.157 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516636 493907498 /nfs/dbraw/zinc/90/74/98/493907498.db2.gz WHEOTXKABBVVQB-YOEHRIQHSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516636 493907501 /nfs/dbraw/zinc/90/75/01/493907501.db2.gz WHEOTXKABBVVQB-YOEHRIQHSA-N 2 1 355.320 3.146 20 0 FGADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](C)c1sc(-c2ccc(Cl)cc2)nc1C ZINC000568050917 505604371 /nfs/dbraw/zinc/60/43/71/505604371.db2.gz NBHZTTYOXABLQA-DIFFPNOSSA-N 2 1 353.919 3.393 20 0 FGADMP CCCN(C(=O)c1cccs1)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000568164239 505632096 /nfs/dbraw/zinc/63/20/96/505632096.db2.gz NAXPFQDDUHZNQL-UHFFFAOYSA-N 2 1 374.554 3.431 20 0 FGADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1cn2ccccc2n1 ZINC000576956551 505633169 /nfs/dbraw/zinc/63/31/69/505633169.db2.gz DNJWKBVQMRSAON-FUHWJXTLSA-N 2 1 369.538 3.035 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1c[nH]cn1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000568189399 505638458 /nfs/dbraw/zinc/63/84/58/505638458.db2.gz GRLKINYXXXXFAC-MBOZVWFJSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000568189399 505638463 /nfs/dbraw/zinc/63/84/63/505638463.db2.gz GRLKINYXXXXFAC-MBOZVWFJSA-N 2 1 354.498 3.272 20 0 FGADMP CCN(C(=O)[C@H](C)Cc1cnc[nH]1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000568189399 505638466 /nfs/dbraw/zinc/63/84/66/505638466.db2.gz GRLKINYXXXXFAC-MBOZVWFJSA-N 2 1 354.498 3.272 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cnc4c(c3)CCCC4)CC2)CC1 ZINC000577002170 505643331 /nfs/dbraw/zinc/64/33/31/505643331.db2.gz BZUXEKKNTORDAJ-UHFFFAOYSA-N 2 1 370.541 3.095 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(I)cc1 ZINC000037648833 494108172 /nfs/dbraw/zinc/10/81/72/494108172.db2.gz DXOQNZZFPJXIBM-STQMWFEESA-N 2 1 370.278 3.426 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)Nc1cccc2c1CC[NH2+]C2 ZINC000568226362 505647526 /nfs/dbraw/zinc/64/75/26/505647526.db2.gz RDJXIXSWXCKJHI-LJQANCHMSA-N 2 1 364.493 3.118 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000579935321 505649056 /nfs/dbraw/zinc/64/90/56/505649056.db2.gz CSJZSZOBEYQLSQ-HRAATJIYSA-N 2 1 367.497 3.027 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000579935322 505649148 /nfs/dbraw/zinc/64/91/48/505649148.db2.gz CSJZSZOBEYQLSQ-IERDGZPVSA-N 2 1 367.497 3.027 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)COC2CCC([NH3+])CC2)c1 ZINC000577106278 505665105 /nfs/dbraw/zinc/66/51/05/505665105.db2.gz SFSNJBMAZPSKQA-UHFFFAOYSA-N 2 1 370.497 3.280 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1csc(C(C)(C)C)n1 ZINC000577105830 505665416 /nfs/dbraw/zinc/66/54/16/505665416.db2.gz WSWHEZQWBQFPFP-KRWDZBQOSA-N 2 1 352.592 3.289 20 0 FGADMP CSC1(C[NH2+][C@@H](c2ccn(C)n2)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000568333832 505668765 /nfs/dbraw/zinc/66/87/65/505668765.db2.gz MEONPBXYIWKMPZ-GOSISDBHSA-N 2 1 362.518 3.066 20 0 FGADMP CC(C)[C@H](NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000047969600 493767405 /nfs/dbraw/zinc/76/74/05/493767405.db2.gz FJECAJPYHUPASS-QFIPXVFZSA-N 2 1 357.542 3.308 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000057843775 493807074 /nfs/dbraw/zinc/80/70/74/493807074.db2.gz USSUQKPLZYJBOL-UHFFFAOYSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000076052091 493813180 /nfs/dbraw/zinc/81/31/80/493813180.db2.gz QGYLGWKEZCANNE-FQEVSTJZSA-N 2 1 360.546 3.195 20 0 FGADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000050025597 493891601 /nfs/dbraw/zinc/89/16/01/493891601.db2.gz MFVCTJYRUPXTOB-NRFANRHFSA-N 2 1 351.494 3.029 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000050024751 493891897 /nfs/dbraw/zinc/89/18/97/493891897.db2.gz WIFFQQMRRGTFFD-ROUUACIJSA-N 2 1 357.523 3.132 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccsc1 ZINC000050028923 493892994 /nfs/dbraw/zinc/89/29/94/493892994.db2.gz AOUQWEDFNWNRCP-UYAOXDASSA-N 2 1 371.550 3.379 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000081484363 493901191 /nfs/dbraw/zinc/90/11/91/493901191.db2.gz UPVXEWITZAGBEM-LJQANCHMSA-N 2 1 357.542 3.230 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516636 493907493 /nfs/dbraw/zinc/90/74/93/493907493.db2.gz WHEOTXKABBVVQB-YOEHRIQHSA-N 2 1 355.320 3.146 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)c2ccc(Br)cc2)C1 ZINC000081516636 493907487 /nfs/dbraw/zinc/90/74/87/493907487.db2.gz WHEOTXKABBVVQB-YOEHRIQHSA-N 2 1 355.320 3.146 20 0 FGADMP NC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)c1ccccc1 ZINC000069096362 493920792 /nfs/dbraw/zinc/92/07/92/493920792.db2.gz ITOMKVSDFBMNLO-OAQYLSRUSA-N 2 1 351.494 3.379 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C[C@H]21 ZINC000577220720 505690279 /nfs/dbraw/zinc/69/02/79/505690279.db2.gz LJMAZFMFUBUCNK-HNBVOPMISA-N 2 1 370.541 3.079 20 0 FGADMP CC[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)[N@H+]1CCc2ccccc2C1 ZINC000060955284 493960502 /nfs/dbraw/zinc/96/05/02/493960502.db2.gz BJTFNNPBKIOWFP-NRFANRHFSA-N 2 1 374.573 3.241 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH+]2CCCC[C@@H]2C)c1 ZINC000062473391 494013609 /nfs/dbraw/zinc/01/36/09/494013609.db2.gz NFHLUVNPCFUTGT-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000062473391 494013612 /nfs/dbraw/zinc/01/36/12/494013612.db2.gz NFHLUVNPCFUTGT-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000062473391 494013615 /nfs/dbraw/zinc/01/36/15/494013615.db2.gz NFHLUVNPCFUTGT-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OCc1cccnc1 ZINC000071895953 494107558 /nfs/dbraw/zinc/10/75/58/494107558.db2.gz GGOMCJRUDXKYIG-UHFFFAOYSA-N 2 1 357.498 3.347 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000086364892 494150152 /nfs/dbraw/zinc/15/01/52/494150152.db2.gz WSPPGYLWFNCDMU-KRWDZBQOSA-N 2 1 369.513 3.273 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)NCCCC[NH+]2CCCC2)cc1 ZINC000086365717 494150494 /nfs/dbraw/zinc/15/04/94/494150494.db2.gz NDNYJFOMBMHWNF-QGZVFWFLSA-N 2 1 369.513 3.417 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000065517537 494207534 /nfs/dbraw/zinc/20/75/34/494207534.db2.gz LEMAGFQKFFYIQK-NRFANRHFSA-N 2 1 374.573 3.128 20 0 FGADMP CC[C@@H]1C[C@H](C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000072697618 494236343 /nfs/dbraw/zinc/23/63/43/494236343.db2.gz WQWIAEIARINEOC-QFBILLFUSA-N 2 1 361.555 3.294 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718475 494239561 /nfs/dbraw/zinc/23/95/61/494239561.db2.gz MWFMXJJKDGIRMH-SFHVURJKSA-N 2 1 357.498 3.026 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000072718475 494239565 /nfs/dbraw/zinc/23/95/65/494239565.db2.gz MWFMXJJKDGIRMH-SFHVURJKSA-N 2 1 357.498 3.026 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)NCc2cccc(C[NH+](CC)CC)c2)C1 ZINC000054511136 494243545 /nfs/dbraw/zinc/24/35/45/494243545.db2.gz AFRQRHROCHNKBZ-FQEVSTJZSA-N 2 1 360.546 3.060 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)C(C)C ZINC000054718331 494264257 /nfs/dbraw/zinc/26/42/57/494264257.db2.gz YJPNKPYRZDKPCA-ICSRJNTNSA-N 2 1 360.546 3.240 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)C1)c1cccc(C(F)(F)F)c1 ZINC000073012998 494305600 /nfs/dbraw/zinc/30/56/00/494305600.db2.gz YRILAERJAXJRAA-PBHICJAKSA-N 2 1 371.447 3.156 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCC(C)CC1 ZINC000078523035 494313302 /nfs/dbraw/zinc/31/33/02/494313302.db2.gz DPHBWSBREUBWOS-WOJBJXKFSA-N 2 1 366.594 3.163 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)C1 ZINC000073206678 494337899 /nfs/dbraw/zinc/33/78/99/494337899.db2.gz LHLYEDDGIPZLGW-XUVXKRRUSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000073206678 494337903 /nfs/dbraw/zinc/33/79/03/494337903.db2.gz LHLYEDDGIPZLGW-XUVXKRRUSA-N 2 1 364.578 3.014 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)C1 ZINC000073206678 494337907 /nfs/dbraw/zinc/33/79/07/494337907.db2.gz LHLYEDDGIPZLGW-XUVXKRRUSA-N 2 1 364.578 3.014 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000078800001 494363801 /nfs/dbraw/zinc/36/38/01/494363801.db2.gz FTUCGDYOBGZRMH-IBGZPJMESA-N 2 1 361.555 3.437 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000073415617 494368735 /nfs/dbraw/zinc/36/87/35/494368735.db2.gz XIUARTCRGLFKJX-SFTDATJTSA-N 2 1 372.557 3.339 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000571371567 505716461 /nfs/dbraw/zinc/71/64/61/505716461.db2.gz QRIUKMBNENLVJD-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000571371567 505716463 /nfs/dbraw/zinc/71/64/63/505716463.db2.gz QRIUKMBNENLVJD-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000571371567 505716468 /nfs/dbraw/zinc/71/64/68/505716468.db2.gz QRIUKMBNENLVJD-PZJWPPBQSA-N 2 1 374.573 3.317 20 0 FGADMP CC[N@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000574199163 505718411 /nfs/dbraw/zinc/71/84/11/505718411.db2.gz PJAZHLSMRMDRKI-UHFFFAOYSA-N 2 1 357.527 3.491 20 0 FGADMP CC[N@@H+](Cc1c(C)nc2sc(C)nn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000574199163 505718412 /nfs/dbraw/zinc/71/84/12/505718412.db2.gz PJAZHLSMRMDRKI-UHFFFAOYSA-N 2 1 357.527 3.491 20 0 FGADMP O=C(C[N@H+]1CCCC[C@H]1CCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000090010414 494428154 /nfs/dbraw/zinc/42/81/54/494428154.db2.gz LGURPENOALJBOO-NRFANRHFSA-N 2 1 369.553 3.217 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1F ZINC000090526250 494478601 /nfs/dbraw/zinc/47/86/01/494478601.db2.gz CTSNZVBIQOUZKU-KYNGSXCRSA-N 2 1 350.478 3.253 20 0 FGADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@]4(CCSC4)C3)CC2)cc1 ZINC000090542734 494480696 /nfs/dbraw/zinc/48/06/96/494480696.db2.gz WZUPHWVVZIQRGN-LEWJYISDSA-N 2 1 360.567 3.338 20 0 FGADMP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090809611 494498337 /nfs/dbraw/zinc/49/83/37/494498337.db2.gz DYMHBRMCUXVGLI-FQEVSTJZSA-N 2 1 350.522 3.465 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1F ZINC000074229409 494502165 /nfs/dbraw/zinc/50/21/65/494502165.db2.gz QEKVABFOOYFSJX-OAHLLOKOSA-N 2 1 358.461 3.201 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCC[C@@H]1C ZINC000046338946 494517619 /nfs/dbraw/zinc/51/76/19/494517619.db2.gz IJSRQQBIDRMDOB-PMACEKPBSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000046338946 494517620 /nfs/dbraw/zinc/51/76/20/494517620.db2.gz IJSRQQBIDRMDOB-PMACEKPBSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+]1CCCC[C@@H]1C ZINC000046338946 494517622 /nfs/dbraw/zinc/51/76/22/494517622.db2.gz IJSRQQBIDRMDOB-PMACEKPBSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079798321 494526979 /nfs/dbraw/zinc/52/69/79/494526979.db2.gz CJMSDOZIBBWUJZ-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079798321 494526981 /nfs/dbraw/zinc/52/69/81/494526981.db2.gz CJMSDOZIBBWUJZ-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CC[C@H](CNC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000079798321 494526982 /nfs/dbraw/zinc/52/69/82/494526982.db2.gz CJMSDOZIBBWUJZ-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000079796821 494527016 /nfs/dbraw/zinc/52/70/16/494527016.db2.gz SPXIOCDZGRQNEL-UHFFFAOYSA-N 2 1 366.594 3.449 20 0 FGADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OCc1cccnc1 ZINC000067507194 494554277 /nfs/dbraw/zinc/55/42/77/494554277.db2.gz FRTOOTLXYBNTOC-LJQANCHMSA-N 2 1 369.509 3.489 20 0 FGADMP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571416068 505728738 /nfs/dbraw/zinc/72/87/38/505728738.db2.gz GPXZIWHPOSOHMB-HXUWFJFHSA-N 2 1 371.550 3.160 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+]1CCCC1 ZINC000080095246 494592081 /nfs/dbraw/zinc/59/20/81/494592081.db2.gz MAOMGJMXDRQQDL-SBHAEUEKSA-N 2 1 372.557 3.071 20 0 FGADMP CN(C(=O)NCCC1CC[NH+](C)CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000074875285 494635662 /nfs/dbraw/zinc/63/56/62/494635662.db2.gz VZGLJTBHHLXYJN-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccc(F)cc1 ZINC000057177563 494669460 /nfs/dbraw/zinc/66/94/60/494669460.db2.gz OFLACAWGSNWYRJ-SFTDATJTSA-N 2 1 369.484 3.209 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000068084672 494755319 /nfs/dbraw/zinc/75/53/19/494755319.db2.gz ZYUQFOVOKVVZBD-GOSISDBHSA-N 2 1 361.530 3.011 20 0 FGADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821109 494763366 /nfs/dbraw/zinc/76/33/66/494763366.db2.gz XXVCVDUQTPJZFF-IBGZPJMESA-N 2 1 372.557 3.267 20 0 FGADMP CC(C)N(C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000092821632 494763773 /nfs/dbraw/zinc/76/37/73/494763773.db2.gz RYSRWVKIMSKWPD-UHFFFAOYSA-N 2 1 360.546 3.265 20 0 FGADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803804 /nfs/dbraw/zinc/80/38/04/494803804.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803810 /nfs/dbraw/zinc/80/38/10/494803810.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 2 1 359.558 3.398 20 0 FGADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803814 /nfs/dbraw/zinc/80/38/14/494803814.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803819 /nfs/dbraw/zinc/80/38/19/494803819.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C)[C@@H]2c2ccc(OC)cc2)[C@H](C)C1 ZINC000121559603 494803821 /nfs/dbraw/zinc/80/38/21/494803821.db2.gz MHIMCYVKNPKATC-QTPAZIJBSA-N 2 1 359.558 3.398 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116539891 494811138 /nfs/dbraw/zinc/81/11/38/494811138.db2.gz WVXVCALBWWFAID-LJQANCHMSA-N 2 1 362.562 3.304 20 0 FGADMP COc1ccccc1NC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121603859 494817317 /nfs/dbraw/zinc/81/73/17/494817317.db2.gz SFECIBHGQIVSQO-UHFFFAOYSA-N 2 1 359.514 3.222 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000126739862 494828965 /nfs/dbraw/zinc/82/89/65/494828965.db2.gz NDEGWOIKIFQFRV-FQEVSTJZSA-N 2 1 366.594 3.310 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nc3c(s2)CCCC3)CC1 ZINC000093397604 494885542 /nfs/dbraw/zinc/88/55/42/494885542.db2.gz PKWYDDVXAPQSTB-MRXNPFEDSA-N 2 1 350.576 3.090 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597542 494902607 /nfs/dbraw/zinc/90/26/07/494902607.db2.gz AWNPIODQHYPQKV-OAQYLSRUSA-N 3 1 370.585 3.136 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000093597542 494902612 /nfs/dbraw/zinc/90/26/12/494902612.db2.gz AWNPIODQHYPQKV-OAQYLSRUSA-N 3 1 370.585 3.136 20 0 FGADMP Cc1cccc([C@H]2CCC[N@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000093612803 494904003 /nfs/dbraw/zinc/90/40/03/494904003.db2.gz FRURYVNQVIRLPE-OAQYLSRUSA-N 2 1 365.525 3.182 20 0 FGADMP Cc1cccc([C@H]2CCC[N@@H+]2Cc2cnc(N3CC[NH+](C)CC3)nc2)c1C ZINC000093612803 494904007 /nfs/dbraw/zinc/90/40/07/494904007.db2.gz FRURYVNQVIRLPE-OAQYLSRUSA-N 2 1 365.525 3.182 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000093639597 494907141 /nfs/dbraw/zinc/90/71/41/494907141.db2.gz WOLIXFJKCIRCBM-NVXWUHKLSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639597 494907132 /nfs/dbraw/zinc/90/71/32/494907132.db2.gz WOLIXFJKCIRCBM-NVXWUHKLSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1OC ZINC000093639597 494907137 /nfs/dbraw/zinc/90/71/37/494907137.db2.gz WOLIXFJKCIRCBM-NVXWUHKLSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000093639597 494907143 /nfs/dbraw/zinc/90/71/43/494907143.db2.gz WOLIXFJKCIRCBM-NVXWUHKLSA-N 2 1 350.503 3.265 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000122280354 494951306 /nfs/dbraw/zinc/95/13/06/494951306.db2.gz RIMCNOUHJJLUDJ-LJQANCHMSA-N 2 1 365.949 3.479 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000122280160 494951534 /nfs/dbraw/zinc/95/15/34/494951534.db2.gz RIMCNOUHJJLUDJ-IBGZPJMESA-N 2 1 365.949 3.479 20 0 FGADMP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000110914775 495021312 /nfs/dbraw/zinc/02/13/12/495021312.db2.gz FUJSCHYIPDRBHI-HXUWFJFHSA-N 2 1 371.569 3.477 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000097428255 495035503 /nfs/dbraw/zinc/03/55/03/495035503.db2.gz NTJSLGRUSCUKRW-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCC[C@@H](C)C1 ZINC000097428255 495035505 /nfs/dbraw/zinc/03/55/05/495035505.db2.gz NTJSLGRUSCUKRW-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCC[C@@H](C)C1 ZINC000097428255 495035509 /nfs/dbraw/zinc/03/55/09/495035509.db2.gz NTJSLGRUSCUKRW-QYZOEREBSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@]4(CC[C@@H](C)C4)C3)CC2)CC1 ZINC000571535547 505757434 /nfs/dbraw/zinc/75/74/34/505757434.db2.gz RDOYWWMGTBUCNE-XMSQKQJNSA-N 2 1 361.574 3.221 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000128285377 495073419 /nfs/dbraw/zinc/07/34/19/495073419.db2.gz NEHHLNMJUMTGNH-GOSISDBHSA-N 2 1 351.922 3.171 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000111880934 495124798 /nfs/dbraw/zinc/12/47/98/495124798.db2.gz HCNPGNDHMMJHJC-KRWDZBQOSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OC(F)(F)F)c1 ZINC000128666286 495132535 /nfs/dbraw/zinc/13/25/35/495132535.db2.gz CATQTWCMKDDWDM-HNNXBMFYSA-N 2 1 359.436 3.263 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000128779436 495148988 /nfs/dbraw/zinc/14/89/88/495148988.db2.gz FGQCDWAIPHPQOU-YLJYHZDGSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000128779436 495148990 /nfs/dbraw/zinc/14/89/90/495148990.db2.gz FGQCDWAIPHPQOU-YLJYHZDGSA-N 2 1 360.546 3.010 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000128779436 495148992 /nfs/dbraw/zinc/14/89/92/495148992.db2.gz FGQCDWAIPHPQOU-YLJYHZDGSA-N 2 1 360.546 3.010 20 0 FGADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1Oc1cccnc1 ZINC000112373963 495182221 /nfs/dbraw/zinc/18/22/21/495182221.db2.gz HCWBSESVMFTRCI-UHFFFAOYSA-N 2 1 368.525 3.300 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](CC(C)C)C2)cc1)C1CC1 ZINC000119676974 495216108 /nfs/dbraw/zinc/21/61/08/495216108.db2.gz YOSYIFRNQMEKSC-IBGZPJMESA-N 2 1 357.542 3.379 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119676974 495216114 /nfs/dbraw/zinc/21/61/14/495216114.db2.gz YOSYIFRNQMEKSC-IBGZPJMESA-N 2 1 357.542 3.379 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1)C1CC1 ZINC000119676974 495216117 /nfs/dbraw/zinc/21/61/17/495216117.db2.gz YOSYIFRNQMEKSC-IBGZPJMESA-N 2 1 357.542 3.379 20 0 FGADMP C[N@@H+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC[NH+](C)C1 ZINC000112657755 495218325 /nfs/dbraw/zinc/21/83/25/495218325.db2.gz ROBCIILNHGIMFU-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC[N@H+](C)C1 ZINC000112657755 495218327 /nfs/dbraw/zinc/21/83/27/495218327.db2.gz ROBCIILNHGIMFU-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP C[NH+](CCC(=O)Nc1ccccc1Br)C[C@@H]1CCC[N@@H+](C)C1 ZINC000112657755 495218329 /nfs/dbraw/zinc/21/83/29/495218329.db2.gz ROBCIILNHGIMFU-CQSZACIVSA-N 2 1 368.319 3.051 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000124009230 495221027 /nfs/dbraw/zinc/22/10/27/495221027.db2.gz QDOCKSJCVSFZOY-UHFFFAOYSA-N 2 1 355.482 3.126 20 0 FGADMP c1ccc(-c2noc(CC[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134936258 495226644 /nfs/dbraw/zinc/22/66/44/495226644.db2.gz ANROMQICKJPQRM-MJGOQNOKSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[N@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)n2)cc1 ZINC000134936258 495226650 /nfs/dbraw/zinc/22/66/50/495226650.db2.gz ANROMQICKJPQRM-MJGOQNOKSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n2)cc1 ZINC000134936258 495226653 /nfs/dbraw/zinc/22/66/53/495226653.db2.gz ANROMQICKJPQRM-MJGOQNOKSA-N 2 1 352.482 3.228 20 0 FGADMP c1ccc(-c2noc(CC[NH+]3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)n2)cc1 ZINC000134936258 495226659 /nfs/dbraw/zinc/22/66/59/495226659.db2.gz ANROMQICKJPQRM-MJGOQNOKSA-N 2 1 352.482 3.228 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(Cl)cccc2OC(F)F)CC1 ZINC000112710237 495227503 /nfs/dbraw/zinc/22/75/03/495227503.db2.gz GRVMOFBWIQWJJX-UHFFFAOYSA-N 2 1 361.864 3.059 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129457186 495248173 /nfs/dbraw/zinc/24/81/73/495248173.db2.gz JGEAGJZDMFYEKC-WIYYLYMNSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000574425947 505770263 /nfs/dbraw/zinc/77/02/63/505770263.db2.gz DFHYRRCDSGFMDF-TWFHAPMSSA-N 2 1 372.557 3.104 20 0 FGADMP FC(F)(F)CN1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000124325499 495270005 /nfs/dbraw/zinc/27/00/05/495270005.db2.gz DRBSXHLMMRVLKY-GOSISDBHSA-N 2 1 369.475 3.167 20 0 FGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000124452813 495290004 /nfs/dbraw/zinc/29/00/04/495290004.db2.gz GAMJLIHRQZCUAW-NRFANRHFSA-N 2 1 359.558 3.380 20 0 FGADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc(Oc2ccccc2)c1 ZINC000568765630 505772715 /nfs/dbraw/zinc/77/27/15/505772715.db2.gz OZSLDCMNZOGYIG-HDICACEKSA-N 2 1 365.477 3.349 20 0 FGADMP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000120068184 495300211 /nfs/dbraw/zinc/30/02/11/495300211.db2.gz GNRYTYQYVNVDHG-CBNMVNINSA-N 2 1 372.557 3.071 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000129835596 495302452 /nfs/dbraw/zinc/30/24/52/495302452.db2.gz JTRWKLKAUBCCDC-SBHAEUEKSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000129835596 495302455 /nfs/dbraw/zinc/30/24/55/495302455.db2.gz JTRWKLKAUBCCDC-SBHAEUEKSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000129835596 495302458 /nfs/dbraw/zinc/30/24/58/495302458.db2.gz JTRWKLKAUBCCDC-SBHAEUEKSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@H]([NH2+]C1(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)CCCC1)c1ccccc1 ZINC000113619658 495321931 /nfs/dbraw/zinc/32/19/31/495321931.db2.gz GAJQCNPKTIUNOO-MOPGFXCFSA-N 2 1 372.557 3.291 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000120216069 495329809 /nfs/dbraw/zinc/32/98/09/495329809.db2.gz YKJBXLZGWZPNFE-UHFFFAOYSA-N 2 1 369.513 3.019 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000105091425 495336152 /nfs/dbraw/zinc/33/61/52/495336152.db2.gz BFZXANSFLVZJDI-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2cccc(C(=O)OC)n2)CC1)CC(C)C ZINC000571626761 505777037 /nfs/dbraw/zinc/77/70/37/505777037.db2.gz CNQCNGJKGPEVCY-UHFFFAOYSA-N 2 1 361.530 3.448 20 0 FGADMP COc1ccc(Br)cc1C[N@@H+](C)CCCn1ccnc1C ZINC000136297724 495370438 /nfs/dbraw/zinc/37/04/38/495370438.db2.gz GHTSYPIMBJCCSY-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP COc1ccc(Br)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000136297724 495370440 /nfs/dbraw/zinc/37/04/40/495370440.db2.gz GHTSYPIMBJCCSY-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP COc1ccc(Br)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136297724 495370442 /nfs/dbraw/zinc/37/04/42/495370442.db2.gz GHTSYPIMBJCCSY-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP CCOc1ccc([C@@H]2CCC[N@H+]2CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000114454021 495375856 /nfs/dbraw/zinc/37/58/56/495375856.db2.gz VNZMUKMKBKGAKD-NRFANRHFSA-N 2 1 373.541 3.211 20 0 FGADMP CC(C)CC[C@@H](C)[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000125031605 495380257 /nfs/dbraw/zinc/38/02/57/495380257.db2.gz POLKTEDAIJISEE-GOSISDBHSA-N 2 1 361.530 3.262 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C2CCN(CC)CC2)CC1 ZINC000125236699 495411098 /nfs/dbraw/zinc/41/10/98/495411098.db2.gz ALFKFVRKHALIMU-UHFFFAOYSA-N 2 1 358.574 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C2CCN(CC)CC2)CC1 ZINC000125236699 495411102 /nfs/dbraw/zinc/41/11/02/495411102.db2.gz ALFKFVRKHALIMU-UHFFFAOYSA-N 2 1 358.574 3.135 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000137492680 495442552 /nfs/dbraw/zinc/44/25/52/495442552.db2.gz COOPANGGSBEXTH-MJGOQNOKSA-N 2 1 354.498 3.176 20 0 FGADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000137492680 495442558 /nfs/dbraw/zinc/44/25/58/495442558.db2.gz COOPANGGSBEXTH-MJGOQNOKSA-N 2 1 354.498 3.176 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000130949231 495471411 /nfs/dbraw/zinc/47/14/11/495471411.db2.gz WOIXDVXXVXFBLY-UHFFFAOYSA-N 2 1 368.525 3.142 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCC1(c2ccccc2)CCCC1 ZINC000130949231 495471414 /nfs/dbraw/zinc/47/14/14/495471414.db2.gz WOIXDVXXVXFBLY-UHFFFAOYSA-N 2 1 368.525 3.142 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000125620052 495472897 /nfs/dbraw/zinc/47/28/97/495472897.db2.gz KPIPFJHJFHXLFJ-XEVCZEQESA-N 2 1 364.578 3.061 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N2CCC([NH2+]C3CCCC3)CC2)c1 ZINC000131073748 495488268 /nfs/dbraw/zinc/48/82/68/495488268.db2.gz HSFQKJBRDMNOOH-UHFFFAOYSA-N 2 1 372.557 3.345 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000568827731 505786159 /nfs/dbraw/zinc/78/61/59/505786159.db2.gz FUCAEDBKUDUGFE-OALUTQOASA-N 2 1 361.917 3.220 20 0 FGADMP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000568827731 505786161 /nfs/dbraw/zinc/78/61/61/505786161.db2.gz FUCAEDBKUDUGFE-OALUTQOASA-N 2 1 361.917 3.220 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000580568706 505788548 /nfs/dbraw/zinc/78/85/48/505788548.db2.gz NYLOEDJPUIXBIA-NPDDRXJXSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000580568706 505788551 /nfs/dbraw/zinc/78/85/51/505788551.db2.gz NYLOEDJPUIXBIA-NPDDRXJXSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000580568706 505788552 /nfs/dbraw/zinc/78/85/52/505788552.db2.gz NYLOEDJPUIXBIA-NPDDRXJXSA-N 2 1 369.553 3.372 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000154276971 495566311 /nfs/dbraw/zinc/56/63/11/495566311.db2.gz JGZRJZKZGWXTPN-IPYPFGDCSA-N 2 1 361.313 3.053 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000173564661 495590077 /nfs/dbraw/zinc/59/00/77/495590077.db2.gz SDGYLWQRMLENRL-RXVVDRJESA-N 2 1 372.557 3.297 20 0 FGADMP C[N@H+]1CC[C@@H](NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1c1ccccc1 ZINC000577775861 505791074 /nfs/dbraw/zinc/79/10/74/505791074.db2.gz XNTBBHNBSCYUPP-NHCUHLMSSA-N 2 1 357.542 3.057 20 0 FGADMP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000182534420 495602928 /nfs/dbraw/zinc/60/29/28/495602928.db2.gz VNSAYGRKLGAMBP-KRWDZBQOSA-N 2 1 366.571 3.364 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176331429 495603853 /nfs/dbraw/zinc/60/38/53/495603853.db2.gz LFCPHSMIPQKJJD-SFHVURJKSA-N 2 1 364.578 3.203 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)[C@@H]1c1ccccc1 ZINC000179475028 495606350 /nfs/dbraw/zinc/60/63/50/495606350.db2.gz QXKCZTLTOSSMTP-ACRUOGEOSA-N 2 1 370.541 3.092 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000179483401 495609024 /nfs/dbraw/zinc/60/90/24/495609024.db2.gz DKMMZSRHXKSLRP-PMACEKPBSA-N 2 1 358.530 3.043 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC000154460408 495623012 /nfs/dbraw/zinc/62/30/12/495623012.db2.gz IZQRKVRXTZBKQV-GOSISDBHSA-N 2 1 363.546 3.081 20 0 FGADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(Cl)cc1F ZINC000150818420 495645215 /nfs/dbraw/zinc/64/52/15/495645215.db2.gz RSOIPLDDVJSZRJ-CQSZACIVSA-N 2 1 353.869 3.225 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150818344 495645295 /nfs/dbraw/zinc/64/52/95/495645295.db2.gz WCSQLALTYVAQOB-OAHLLOKOSA-N 2 1 365.905 3.095 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185669376 495670912 /nfs/dbraw/zinc/67/09/12/495670912.db2.gz RVJCXIGNFOXPOK-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185669376 495670914 /nfs/dbraw/zinc/67/09/14/495670914.db2.gz RVJCXIGNFOXPOK-KBPBESRZSA-N 2 1 351.441 3.146 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000176495418 495672144 /nfs/dbraw/zinc/67/21/44/495672144.db2.gz PLKFNYZPNXOUDB-SFHVURJKSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693490 495682065 /nfs/dbraw/zinc/68/20/65/495682065.db2.gz SWNOZMLFPYTIMH-MSOLQXFVSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693490 495682067 /nfs/dbraw/zinc/68/20/67/495682067.db2.gz SWNOZMLFPYTIMH-MSOLQXFVSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185713514 495692812 /nfs/dbraw/zinc/69/28/12/495692812.db2.gz VRTWYYKGPIMGLD-HUUCEWRRSA-N 2 1 374.916 3.091 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(=O)n2cc(Cl)ccc2n1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185713514 495692816 /nfs/dbraw/zinc/69/28/16/495692816.db2.gz VRTWYYKGPIMGLD-HUUCEWRRSA-N 2 1 374.916 3.091 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)Nc1cccnc1Cl ZINC000185713684 495693009 /nfs/dbraw/zinc/69/30/09/495693009.db2.gz WVHBGUXCIUQYSR-KKUMJFAQSA-N 2 1 364.921 3.305 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)Nc1cccnc1Cl ZINC000185713684 495693012 /nfs/dbraw/zinc/69/30/12/495693012.db2.gz WVHBGUXCIUQYSR-KKUMJFAQSA-N 2 1 364.921 3.305 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC(=O)N3CCc4ccccc43)C2)CC1 ZINC000154712370 495704029 /nfs/dbraw/zinc/70/40/29/495704029.db2.gz ATXLFKSSWMHCQI-HXUWFJFHSA-N 2 1 369.553 3.410 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)cc1 ZINC000182792579 495704891 /nfs/dbraw/zinc/70/48/91/495704891.db2.gz RSLLBRRDQSBWJB-UHFFFAOYSA-N 2 1 354.498 3.049 20 0 FGADMP Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cc[nH+]c3C(C)C)CC2)cc1 ZINC000182792579 495704897 /nfs/dbraw/zinc/70/48/97/495704897.db2.gz RSLLBRRDQSBWJB-UHFFFAOYSA-N 2 1 354.498 3.049 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccccc1F ZINC000185738844 495705052 /nfs/dbraw/zinc/70/50/52/495705052.db2.gz QSSDGJXMXBMKHR-BQFCYCMXSA-N 2 1 361.505 3.073 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccccc1F ZINC000185738844 495705055 /nfs/dbraw/zinc/70/50/55/495705055.db2.gz QSSDGJXMXBMKHR-BQFCYCMXSA-N 2 1 361.505 3.073 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159309931 495706444 /nfs/dbraw/zinc/70/64/44/495706444.db2.gz LPDNBCSUMMXNJL-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159309931 495706449 /nfs/dbraw/zinc/70/64/49/495706449.db2.gz LPDNBCSUMMXNJL-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159309931 495706456 /nfs/dbraw/zinc/70/64/56/495706456.db2.gz LPDNBCSUMMXNJL-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccsc1 ZINC000173823440 495707620 /nfs/dbraw/zinc/70/76/20/495707620.db2.gz KGSCAEBYXFHCET-FGTMMUONSA-N 2 1 364.559 3.009 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902326 495738549 /nfs/dbraw/zinc/73/85/49/495738549.db2.gz NKLONAQDHHOQRK-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902326 495738556 /nfs/dbraw/zinc/73/85/56/495738556.db2.gz NKLONAQDHHOQRK-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902326 495738562 /nfs/dbraw/zinc/73/85/62/495738562.db2.gz NKLONAQDHHOQRK-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902326 495738566 /nfs/dbraw/zinc/73/85/66/495738566.db2.gz NKLONAQDHHOQRK-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C1 ZINC000173902326 495738572 /nfs/dbraw/zinc/73/85/72/495738572.db2.gz NKLONAQDHHOQRK-HIFRSBDPSA-N 2 1 361.313 3.007 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185891037 495768622 /nfs/dbraw/zinc/76/86/22/495768622.db2.gz DHDWLJRYOOXOPZ-FQEVSTJZSA-N 2 1 373.928 3.366 20 0 FGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000568904944 505804876 /nfs/dbraw/zinc/80/48/76/505804876.db2.gz OQYTYNFAJTYEJN-NRFANRHFSA-N 2 1 365.521 3.408 20 0 FGADMP Cc1ccc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)nc1 ZINC000568904944 505804879 /nfs/dbraw/zinc/80/48/79/505804879.db2.gz OQYTYNFAJTYEJN-NRFANRHFSA-N 2 1 365.521 3.408 20 0 FGADMP CC(C)CN(C(=O)CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000173976839 495771752 /nfs/dbraw/zinc/77/17/52/495771752.db2.gz SVGODOGHZWBBOW-NRFANRHFSA-N 2 1 359.558 3.333 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000173992890 495780430 /nfs/dbraw/zinc/78/04/30/495780430.db2.gz SKUXDAXXBQITDH-HDICACEKSA-N 2 1 357.542 3.123 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174072330 495811093 /nfs/dbraw/zinc/81/10/93/495811093.db2.gz ZDQVWQXECZHXGC-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP Cc1cc(NCc2cccc(OCC[N@H+](C)C3CCOCC3)c2)cc[nH+]1 ZINC000185998232 495814795 /nfs/dbraw/zinc/81/47/95/495814795.db2.gz HRHWNRFFBVCYLV-UHFFFAOYSA-N 2 1 355.482 3.492 20 0 FGADMP CC[C@H]1Oc2cc([C@H](C)[NH2+]CCCCn3cc[nH+]c3C)ccc2NC1=O ZINC000180005981 495819448 /nfs/dbraw/zinc/81/94/48/495819448.db2.gz RQDNDGVBMDBKOH-KBXCAEBGSA-N 2 1 356.470 3.432 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000183101109 495834626 /nfs/dbraw/zinc/83/46/26/495834626.db2.gz AHQKHCUHZNIMDV-SJORKVTESA-N 2 1 362.514 3.421 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000183101109 495834628 /nfs/dbraw/zinc/83/46/28/495834628.db2.gz AHQKHCUHZNIMDV-SJORKVTESA-N 2 1 362.514 3.421 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)Nc2nccs2)cc1 ZINC000183157433 495859150 /nfs/dbraw/zinc/85/91/50/495859150.db2.gz SARAQNRSOAMTEG-STQMWFEESA-N 2 1 355.467 3.315 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000174210707 495866106 /nfs/dbraw/zinc/86/61/06/495866106.db2.gz PUANUEVKSYMWRN-RCZSKKKRSA-N 2 1 360.542 3.105 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000174210707 495866110 /nfs/dbraw/zinc/86/61/10/495866110.db2.gz PUANUEVKSYMWRN-RCZSKKKRSA-N 2 1 360.542 3.105 20 0 FGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869327 505808760 /nfs/dbraw/zinc/80/87/60/505808760.db2.gz FHCGNGYIXKDGGX-FQEVSTJZSA-N 2 1 351.494 3.420 20 0 FGADMP COc1ncccc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869327 505808765 /nfs/dbraw/zinc/80/87/65/505808765.db2.gz FHCGNGYIXKDGGX-FQEVSTJZSA-N 2 1 351.494 3.420 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000174220454 495869670 /nfs/dbraw/zinc/86/96/70/495869670.db2.gz XADIJYFIQKHPQC-IHWFROFDSA-N 2 1 373.541 3.152 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CCCOC2CCOCC2)C3)cc1 ZINC000180147988 495880164 /nfs/dbraw/zinc/88/01/64/495880164.db2.gz IDURQBJBAYLDRS-SEJPIABJSA-N 2 1 358.526 3.357 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000186269967 495921525 /nfs/dbraw/zinc/92/15/25/495921525.db2.gz FGSITVSMPCCDDC-QMMLZNLJSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186269967 495921529 /nfs/dbraw/zinc/92/15/29/495921529.db2.gz FGSITVSMPCCDDC-QMMLZNLJSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186269967 495921538 /nfs/dbraw/zinc/92/15/38/495921538.db2.gz FGSITVSMPCCDDC-QMMLZNLJSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000186271418 495922798 /nfs/dbraw/zinc/92/27/98/495922798.db2.gz YQRZXDLKTCBQDI-OAQYLSRUSA-N 2 1 372.557 3.069 20 0 FGADMP Cc1nn(C)c2ncc(C[N@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000174401919 495942862 /nfs/dbraw/zinc/94/28/62/495942862.db2.gz GLJSOUQCBHSWTA-LJQANCHMSA-N 2 1 363.509 3.231 20 0 FGADMP Cc1nn(C)c2ncc(C[N@@H+](C)C[C@H]3CC[NH+](Cc4ccccc4)C3)cc12 ZINC000174401919 495942867 /nfs/dbraw/zinc/94/28/67/495942867.db2.gz GLJSOUQCBHSWTA-LJQANCHMSA-N 2 1 363.509 3.231 20 0 FGADMP Cc1nn(C)c2ncc(C[NH+](C)C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000174401919 495942870 /nfs/dbraw/zinc/94/28/70/495942870.db2.gz GLJSOUQCBHSWTA-LJQANCHMSA-N 2 1 363.509 3.231 20 0 FGADMP Cc1nn(C)c2ncc(C[NH+](C)C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc12 ZINC000174401919 495942873 /nfs/dbraw/zinc/94/28/73/495942873.db2.gz GLJSOUQCBHSWTA-LJQANCHMSA-N 2 1 363.509 3.231 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2CCCC2)CC1 ZINC000171616658 495949489 /nfs/dbraw/zinc/94/94/89/495949489.db2.gz AKQRKHRIIVFHEL-UHFFFAOYSA-N 2 1 369.553 3.483 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC3 ZINC000180452886 496002605 /nfs/dbraw/zinc/00/26/05/496002605.db2.gz DCOQHHCJHVAJDK-LJQANCHMSA-N 2 1 368.569 3.197 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H](C)[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000174689390 496063386 /nfs/dbraw/zinc/06/33/86/496063386.db2.gz HZDRXJXFATZMRL-LJQANCHMSA-N 2 1 372.557 3.165 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000177456893 496068265 /nfs/dbraw/zinc/06/82/65/496068265.db2.gz ZTLLHTQDEPBTEE-NRFANRHFSA-N 2 1 355.526 3.174 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCCCC[NH+]3CCCCC3)CC2)[nH+]c1 ZINC000171889674 496077965 /nfs/dbraw/zinc/07/79/65/496077965.db2.gz HDACQBBIDFJMJV-UHFFFAOYSA-N 2 1 372.557 3.379 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@H](C)C1 ZINC000183710654 496089209 /nfs/dbraw/zinc/08/92/09/496089209.db2.gz LCUBXFOVZROSRL-RHSMWYFYSA-N 2 1 370.335 3.071 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(Br)c2)[C@H](C)C1 ZINC000183710654 496089211 /nfs/dbraw/zinc/08/92/11/496089211.db2.gz LCUBXFOVZROSRL-RHSMWYFYSA-N 2 1 370.335 3.071 20 0 FGADMP COc1cccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600837 496128222 /nfs/dbraw/zinc/12/82/22/496128222.db2.gz NXBBCKOVGDMMPZ-GHTZIAJQSA-N 2 1 373.541 3.069 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000174890718 496151445 /nfs/dbraw/zinc/15/14/45/496151445.db2.gz CYEDSAQDAFPJQG-AOIWGVFYSA-N 2 1 360.546 3.240 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000174903660 496157939 /nfs/dbraw/zinc/15/79/39/496157939.db2.gz LLLRMWDFUARWOQ-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCOc3cccc(Cl)c3)C2)CC1 ZINC000174903660 496157947 /nfs/dbraw/zinc/15/79/47/496157947.db2.gz LLLRMWDFUARWOQ-LJQANCHMSA-N 2 1 365.949 3.211 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152458140 496158132 /nfs/dbraw/zinc/15/81/32/496158132.db2.gz KWYANZUMSFDNCL-ARFHVFGLSA-N 2 1 351.922 3.179 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175010639 496205712 /nfs/dbraw/zinc/20/57/12/496205712.db2.gz UNPLYNKNDKULQO-INIZCTEOSA-N 2 1 357.498 3.489 20 0 FGADMP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000161672054 496219547 /nfs/dbraw/zinc/21/95/47/496219547.db2.gz PTZZMRDBDIKZQK-BBRMVZONSA-N 2 1 355.885 3.107 20 0 FGADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1F ZINC000161672054 496219552 /nfs/dbraw/zinc/21/95/52/496219552.db2.gz PTZZMRDBDIKZQK-BBRMVZONSA-N 2 1 355.885 3.107 20 0 FGADMP CN(CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)CC(F)(F)F ZINC000156369139 496226192 /nfs/dbraw/zinc/22/61/92/496226192.db2.gz OMXLITMIMOSRJH-UHFFFAOYSA-N 2 1 357.464 3.167 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](CC)[C@H]3CCOC3)CC2)cs1 ZINC000161789718 496238414 /nfs/dbraw/zinc/23/84/14/496238414.db2.gz OLOOFHFPWXXUEO-WMZOPIPTSA-N 2 1 351.560 3.322 20 0 FGADMP CC[N@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C(C)C ZINC000156568764 496280975 /nfs/dbraw/zinc/28/09/75/496280975.db2.gz CHGVLQLTCIECID-UHFFFAOYSA-N 2 1 351.922 3.265 20 0 FGADMP CC[N@@H+](CC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C(C)C ZINC000156568764 496280980 /nfs/dbraw/zinc/28/09/80/496280980.db2.gz CHGVLQLTCIECID-UHFFFAOYSA-N 2 1 351.922 3.265 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1)c1ccncc1 ZINC000156594556 496288980 /nfs/dbraw/zinc/28/89/80/496288980.db2.gz YXFHDSYZTCXBNR-GOSISDBHSA-N 2 1 369.509 3.422 20 0 FGADMP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000574685309 505831113 /nfs/dbraw/zinc/83/11/13/505831113.db2.gz XBODMCFBSUHGMQ-HXUWFJFHSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000580776105 505836182 /nfs/dbraw/zinc/83/61/82/505836182.db2.gz MKWVOTCOIFPWKY-XMSQKQJNSA-N 2 1 357.542 3.364 20 0 FGADMP COc1cc(Br)ccc1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000184332181 496339293 /nfs/dbraw/zinc/33/92/93/496339293.db2.gz XXMGRLAQKGGINR-CZUORRHYSA-N 2 1 355.320 3.463 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+](C)Cc1ccccc1 ZINC000172587794 496354434 /nfs/dbraw/zinc/35/44/34/496354434.db2.gz NCDIAZOSPHLZIW-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@H+](C)Cc1ccccc1 ZINC000172587794 496354442 /nfs/dbraw/zinc/35/44/42/496354442.db2.gz NCDIAZOSPHLZIW-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[NH+](C2CCCC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000172587794 496354448 /nfs/dbraw/zinc/35/44/48/496354448.db2.gz NCDIAZOSPHLZIW-IBGZPJMESA-N 2 1 372.557 3.167 20 0 FGADMP CCCC[C@@H]([NH2+]CC1(C[NH+](C)C)CCCC1)C(=O)Nc1cc(C)on1 ZINC000184472879 496399895 /nfs/dbraw/zinc/39/98/95/496399895.db2.gz UCOOUJJUSPSVHC-MRXNPFEDSA-N 2 1 350.507 3.192 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000175524131 496426080 /nfs/dbraw/zinc/42/60/80/496426080.db2.gz TUEFAWPTZULGGJ-GOSISDBHSA-N 2 1 360.546 3.243 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000172809483 496441632 /nfs/dbraw/zinc/44/16/32/496441632.db2.gz LSWLVLWJOMHOFW-LJQANCHMSA-N 2 1 373.541 3.468 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)c2ccccc2F)cc1 ZINC000178453249 496462584 /nfs/dbraw/zinc/46/25/84/496462584.db2.gz AOFKLYBHXKWYKO-OAHLLOKOSA-N 2 1 366.440 3.400 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+](Cc3ccccc3)C(C)(C)C)cn2)CC1 ZINC000157362799 496462674 /nfs/dbraw/zinc/46/26/74/496462674.db2.gz PATNHIXIBQLIHL-UHFFFAOYSA-N 2 1 353.514 3.029 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+](Cc3ccccc3)C(C)(C)C)cn2)CC1 ZINC000157362799 496462676 /nfs/dbraw/zinc/46/26/76/496462676.db2.gz PATNHIXIBQLIHL-UHFFFAOYSA-N 2 1 353.514 3.029 20 0 FGADMP C[C@H](CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000175632761 496473315 /nfs/dbraw/zinc/47/33/15/496473315.db2.gz QPMXMEOFRVVTHF-CTNGQTDRSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC[NH+]2CCCC2)CC1 ZINC000181636552 496480315 /nfs/dbraw/zinc/48/03/15/496480315.db2.gz FKOGOLBOMUVDGL-GOSISDBHSA-N 3 1 362.537 3.104 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000163312051 496496629 /nfs/dbraw/zinc/49/66/29/496496629.db2.gz OGCZRAAFLSWRBJ-HNNXBMFYSA-N 2 1 353.913 3.375 20 0 FGADMP Cc1csc(=O)n1CCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000178654358 496530179 /nfs/dbraw/zinc/53/01/79/496530179.db2.gz IIEAAIRLCAMQQA-WOJBJXKFSA-N 2 1 371.550 3.205 20 0 FGADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1c(F)cccc1F ZINC000163606634 496537458 /nfs/dbraw/zinc/53/74/58/496537458.db2.gz XZLGYCGWXFBAEQ-UHFFFAOYSA-N 2 1 350.413 3.211 20 0 FGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)Nc1c(F)cccc1F ZINC000163606634 496537462 /nfs/dbraw/zinc/53/74/62/496537462.db2.gz XZLGYCGWXFBAEQ-UHFFFAOYSA-N 2 1 350.413 3.211 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C1 ZINC000178698167 496544535 /nfs/dbraw/zinc/54/45/35/496544535.db2.gz WGRUKFWSHOLXPJ-GASCZTMLSA-N 2 1 372.538 3.010 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)c2csc(C[NH3+])n2)C1 ZINC000178698167 496544543 /nfs/dbraw/zinc/54/45/43/496544543.db2.gz WGRUKFWSHOLXPJ-GASCZTMLSA-N 2 1 372.538 3.010 20 0 FGADMP c1cnn([C@@H]2CCC[NH+](CCCCC[N@H+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000157777422 496552291 /nfs/dbraw/zinc/55/22/91/496552291.db2.gz TUYVZAGECDRLKA-OYRHEFFESA-N 2 1 370.545 3.224 20 0 FGADMP c1cnn([C@@H]2CCC[N@@H+](CCCCC[NH+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000157777422 496552297 /nfs/dbraw/zinc/55/22/97/496552297.db2.gz TUYVZAGECDRLKA-OYRHEFFESA-N 2 1 370.545 3.224 20 0 FGADMP c1cnn([C@@H]2CCC[N@H+](CCCCC[NH+]3CCC[C@H](n4cccn4)C3)C2)c1 ZINC000157777422 496552301 /nfs/dbraw/zinc/55/23/01/496552301.db2.gz TUYVZAGECDRLKA-OYRHEFFESA-N 2 1 370.545 3.224 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000175814771 496556029 /nfs/dbraw/zinc/55/60/29/496556029.db2.gz MKYMQWIFRHRZCE-UHFFFAOYSA-N 2 1 354.454 3.210 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@H](OCC(C)C)C3(C)C)CC2)nc(C)[nH+]1 ZINC000181862606 496576648 /nfs/dbraw/zinc/57/66/48/496576648.db2.gz CAGIQILCUKHVHN-MOPGFXCFSA-N 2 1 360.546 3.492 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C12CCCC2 ZINC000181862806 496576986 /nfs/dbraw/zinc/57/69/86/496576986.db2.gz AFOXBAWQDWDZCE-RBUKOAKNSA-N 2 1 358.530 3.390 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)C1 ZINC000157950499 496593322 /nfs/dbraw/zinc/59/33/22/496593322.db2.gz QAUWMOKYRCNHDC-RZUBCFFCSA-N 2 1 358.574 3.394 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943649 496607396 /nfs/dbraw/zinc/60/73/96/496607396.db2.gz NSRDZHTYZRZUHK-CVEARBPZSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943649 496607399 /nfs/dbraw/zinc/60/73/99/496607399.db2.gz NSRDZHTYZRZUHK-CVEARBPZSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943649 496607403 /nfs/dbraw/zinc/60/74/03/496607403.db2.gz NSRDZHTYZRZUHK-CVEARBPZSA-N 2 1 374.447 3.109 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000181943649 496607407 /nfs/dbraw/zinc/60/74/07/496607407.db2.gz NSRDZHTYZRZUHK-CVEARBPZSA-N 2 1 374.447 3.109 20 0 FGADMP Cc1ccc(C[C@H](CO)[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000571960597 505855272 /nfs/dbraw/zinc/85/52/72/505855272.db2.gz PAIKRGVLVOPWOC-UEVCKROQSA-N 2 1 352.522 3.399 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158100051 496626648 /nfs/dbraw/zinc/62/66/48/496626648.db2.gz ZHIOMLWLAQWWCU-KGLIPLIRSA-N 2 1 368.319 3.098 20 0 FGADMP O=C(C[N@H+](Cc1ccccc1F)CC1CC[NH2+]CC1)Nc1ccccc1F ZINC000178959442 496629840 /nfs/dbraw/zinc/62/98/40/496629840.db2.gz SWVZPCQWKGBTGV-UHFFFAOYSA-N 2 1 373.447 3.405 20 0 FGADMP O=C(C[N@@H+](Cc1ccccc1F)CC1CC[NH2+]CC1)Nc1ccccc1F ZINC000178959442 496629843 /nfs/dbraw/zinc/62/98/43/496629843.db2.gz SWVZPCQWKGBTGV-UHFFFAOYSA-N 2 1 373.447 3.405 20 0 FGADMP CCC[N@H+](CCN1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000158145574 496637623 /nfs/dbraw/zinc/63/76/23/496637623.db2.gz KMZCSWNTVPXDRK-UHFFFAOYSA-N 2 1 359.562 3.260 20 0 FGADMP CCC[N@@H+](CCN1CCCCC1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000158145574 496637630 /nfs/dbraw/zinc/63/76/30/496637630.db2.gz KMZCSWNTVPXDRK-UHFFFAOYSA-N 2 1 359.562 3.260 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003954 496643516 /nfs/dbraw/zinc/64/35/16/496643516.db2.gz SRKUPEWZJCQQKZ-GUXCAODWSA-N 2 1 355.482 3.028 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003954 496643523 /nfs/dbraw/zinc/64/35/23/496643523.db2.gz SRKUPEWZJCQQKZ-GUXCAODWSA-N 2 1 355.482 3.028 20 0 FGADMP Cc1ccc(C)c(OCC[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000153981117 496643729 /nfs/dbraw/zinc/64/37/29/496643729.db2.gz RXBNHYVMQZBEKA-SFTDATJTSA-N 2 1 359.558 3.173 20 0 FGADMP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCOCC1 ZINC000187995873 496644115 /nfs/dbraw/zinc/64/41/15/496644115.db2.gz WYTNWNZSGXKRGJ-KBRMVUAJSA-N 2 1 358.526 3.213 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000571967973 505857749 /nfs/dbraw/zinc/85/77/49/505857749.db2.gz QLDYKGDXKBDXKH-ZJOUEHCJSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000571967973 505857754 /nfs/dbraw/zinc/85/77/54/505857754.db2.gz QLDYKGDXKBDXKH-ZJOUEHCJSA-N 2 1 374.573 3.315 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000571967973 505857760 /nfs/dbraw/zinc/85/77/60/505857760.db2.gz QLDYKGDXKBDXKH-ZJOUEHCJSA-N 2 1 374.573 3.315 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166500393 496687900 /nfs/dbraw/zinc/68/79/00/496687900.db2.gz FWETTZOYQDIWRA-UNMCSNQZSA-N 2 1 359.558 3.018 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)nc1 ZINC000167132511 496697839 /nfs/dbraw/zinc/69/78/39/496697839.db2.gz JUWNXJHGEXPLRG-UHFFFAOYSA-N 2 1 366.509 3.015 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000182262764 496722561 /nfs/dbraw/zinc/72/25/61/496722561.db2.gz XCLNYNYZRHUAKE-RBBKRZOGSA-N 2 1 368.546 3.373 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000182352363 496731087 /nfs/dbraw/zinc/73/10/87/496731087.db2.gz BNRDQUGKYKESNK-ZWKOTPCHSA-N 2 1 352.567 3.057 20 0 FGADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000277335264 496739915 /nfs/dbraw/zinc/73/99/15/496739915.db2.gz VTPVDRPPDRLLDY-MRXNPFEDSA-N 2 1 368.319 3.194 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000268749828 496773515 /nfs/dbraw/zinc/77/35/15/496773515.db2.gz BWTNCQJJGDYEHG-RBUKOAKNSA-N 2 1 361.917 3.161 20 0 FGADMP O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000268749828 496773522 /nfs/dbraw/zinc/77/35/22/496773522.db2.gz BWTNCQJJGDYEHG-RBUKOAKNSA-N 2 1 361.917 3.161 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CCS2 ZINC000191510512 496791671 /nfs/dbraw/zinc/79/16/71/496791671.db2.gz DGXGQOWQOSUYCD-LJQANCHMSA-N 2 1 363.571 3.095 20 0 FGADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000268842382 496800677 /nfs/dbraw/zinc/80/06/77/496800677.db2.gz UOFDBJYDCAFVCL-IBGZPJMESA-N 2 1 363.546 3.162 20 0 FGADMP CC(C)n1cc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000247254935 496816816 /nfs/dbraw/zinc/81/68/16/496816816.db2.gz ZZJZGTAUJHMFDN-UGKGYDQZSA-N 2 1 369.557 3.493 20 0 FGADMP COc1ccc(NC(=O)CC[NH+]2CCC([NH2+]C(C)C)CC2)cc1Cl ZINC000268909051 496820783 /nfs/dbraw/zinc/82/07/83/496820783.db2.gz MJRVTVNIQCLDHA-UHFFFAOYSA-N 2 1 353.894 3.140 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268961830 496835653 /nfs/dbraw/zinc/83/56/53/496835653.db2.gz XTCPJGYRICDQOZ-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cncn3)c2)CC[N@H+]1Cc1ccccc1 ZINC000268961830 496835660 /nfs/dbraw/zinc/83/56/60/496835660.db2.gz XTCPJGYRICDQOZ-RXVVDRJESA-N 2 1 361.493 3.410 20 0 FGADMP CCN1CCC([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000269012615 496848817 /nfs/dbraw/zinc/84/88/17/496848817.db2.gz XQXVZMUCRFMHAQ-UHFFFAOYSA-N 2 1 359.558 3.132 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399282 496850148 /nfs/dbraw/zinc/85/01/48/496850148.db2.gz WYBSBHFMISDPEV-GJYPPUQNSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399282 496850154 /nfs/dbraw/zinc/85/01/54/496850154.db2.gz WYBSBHFMISDPEV-GJYPPUQNSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399282 496850157 /nfs/dbraw/zinc/85/01/57/496850157.db2.gz WYBSBHFMISDPEV-GJYPPUQNSA-N 2 1 354.922 3.052 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399297 496850689 /nfs/dbraw/zinc/85/06/89/496850689.db2.gz WYBSBHFMISDPEV-JTDSTZFVSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399297 496850693 /nfs/dbraw/zinc/85/06/93/496850693.db2.gz WYBSBHFMISDPEV-JTDSTZFVSA-N 2 1 354.922 3.052 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CO[C@H](C)c2ccc(Cl)cc2)C1 ZINC000247399297 496850700 /nfs/dbraw/zinc/85/07/00/496850700.db2.gz WYBSBHFMISDPEV-JTDSTZFVSA-N 2 1 354.922 3.052 20 0 FGADMP OCC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccccc1 ZINC000269052900 496859484 /nfs/dbraw/zinc/85/94/84/496859484.db2.gz ROTXUBXKLVBCQX-QFIPXVFZSA-N 2 1 352.522 3.449 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000264312641 496869521 /nfs/dbraw/zinc/86/95/21/496869521.db2.gz NZXBNFKMWVSQLU-NRFANRHFSA-N 2 1 365.521 3.043 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000574861689 505871579 /nfs/dbraw/zinc/87/15/79/505871579.db2.gz XDKCHOQXXDQDRX-YZGWKJHDSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1)C(C)C ZINC000247974752 496935566 /nfs/dbraw/zinc/93/55/66/496935566.db2.gz HQJJSVLZTSHSCR-SFTDATJTSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1)C(C)C ZINC000247974752 496935568 /nfs/dbraw/zinc/93/55/68/496935568.db2.gz HQJJSVLZTSHSCR-SFTDATJTSA-N 2 1 357.542 3.473 20 0 FGADMP CC[NH+](Cc1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1)C(C)C ZINC000247974752 496935574 /nfs/dbraw/zinc/93/55/74/496935574.db2.gz HQJJSVLZTSHSCR-SFTDATJTSA-N 2 1 357.542 3.473 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)c1cccs1 ZINC000247988822 496940385 /nfs/dbraw/zinc/94/03/85/496940385.db2.gz JCYNVROJVUMJKU-MAUKXSAKSA-N 2 1 357.523 3.296 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@@H](C)C1 ZINC000248120103 496956420 /nfs/dbraw/zinc/95/64/20/496956420.db2.gz NGAIEBOSQKBQRO-PJJMUABWSA-N 2 1 366.571 3.212 20 0 FGADMP C[NH+](CCCCC[N@H+](C)CCc1nccs1)CCc1nccs1 ZINC000269832913 497009624 /nfs/dbraw/zinc/00/96/24/497009624.db2.gz DNVIDEXKJHGOQJ-UHFFFAOYSA-N 2 1 352.573 3.419 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c(OC)c1 ZINC000248447793 497014933 /nfs/dbraw/zinc/01/49/33/497014933.db2.gz NQPVUBGOHVCBTQ-QFBILLFUSA-N 2 1 370.493 3.121 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000269893054 497019529 /nfs/dbraw/zinc/01/95/29/497019529.db2.gz RLNNALPWGJOGGN-QGZVFWFLSA-N 2 1 355.320 3.287 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000269893054 497019532 /nfs/dbraw/zinc/01/95/32/497019532.db2.gz RLNNALPWGJOGGN-QGZVFWFLSA-N 2 1 355.320 3.287 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2cn3ccccc3n2)C1 ZINC000265092346 497045541 /nfs/dbraw/zinc/04/55/41/497045541.db2.gz NATWBFYEUSQULC-ROUUACIJSA-N 2 1 369.513 3.130 20 0 FGADMP COC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccc(Cl)cc1 ZINC000248655494 497073744 /nfs/dbraw/zinc/07/37/44/497073744.db2.gz BLOCTZJDGSQMTG-NHCUHLMSSA-N 2 1 374.912 3.384 20 0 FGADMP Cc1c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cnn1C(C)(C)C ZINC000248677112 497077899 /nfs/dbraw/zinc/07/78/99/497077899.db2.gz AOYVFCTUUPGYEF-CWFSZBLJSA-N 2 1 362.562 3.365 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(OC(F)(F)F)c2)CCOCC1 ZINC000278341771 497080771 /nfs/dbraw/zinc/08/07/71/497080771.db2.gz PJBQHSXIZDIEFS-UHFFFAOYSA-N 2 1 369.387 3.386 20 0 FGADMP COC(=O)C1CCC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CC1 ZINC000192438557 497114740 /nfs/dbraw/zinc/11/47/40/497114740.db2.gz RWGGICLSIKZNOQ-AGXSTUJCSA-N 2 1 374.525 3.117 20 0 FGADMP CCCn1c(C)nnc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000248865995 497121413 /nfs/dbraw/zinc/12/14/13/497121413.db2.gz AYGWKNLGUKCEDW-LFUKPOHLSA-N 2 1 355.530 3.243 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000249032242 497151628 /nfs/dbraw/zinc/15/16/28/497151628.db2.gz SPYLJGBCSHPXTL-SFTDATJTSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000249032242 497151633 /nfs/dbraw/zinc/15/16/33/497151633.db2.gz SPYLJGBCSHPXTL-SFTDATJTSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000249032242 497151638 /nfs/dbraw/zinc/15/16/38/497151638.db2.gz SPYLJGBCSHPXTL-SFTDATJTSA-N 2 1 374.573 3.126 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236903587 497165902 /nfs/dbraw/zinc/16/59/02/497165902.db2.gz VRIZSFKEYWYDGX-CTNGQTDRSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C1 ZINC000249515419 497215327 /nfs/dbraw/zinc/21/53/27/497215327.db2.gz CKZFLWOMTBAQOB-WOJBJXKFSA-N 2 1 366.594 3.310 20 0 FGADMP C[C@H](C(=O)Nc1nc2ccc(F)cc2s1)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000265960279 497218574 /nfs/dbraw/zinc/21/85/74/497218574.db2.gz IVHSPMUMFHMYAP-CHWSQXEVSA-N 2 1 364.490 3.036 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000249555525 497220722 /nfs/dbraw/zinc/22/07/22/497220722.db2.gz LTLKFTPHVGYGHL-ICSRJNTNSA-N 2 1 362.562 3.153 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N(C)C(C)C)nc2)[C@@H](C)C1 ZINC000249555525 497220727 /nfs/dbraw/zinc/22/07/27/497220727.db2.gz LTLKFTPHVGYGHL-ICSRJNTNSA-N 2 1 362.562 3.153 20 0 FGADMP C[C@@H](CC(=O)Nc1ccccc1C[NH+]1CCSCC1)C1CC[NH2+]CC1 ZINC000237345339 497223035 /nfs/dbraw/zinc/22/30/35/497223035.db2.gz IDXJVJKPZFBORT-INIZCTEOSA-N 2 1 361.555 3.200 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000189731367 497226762 /nfs/dbraw/zinc/22/67/62/497226762.db2.gz SPQFXBBPUOSCDZ-JSGCOSHPSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000189731367 497226767 /nfs/dbraw/zinc/22/67/67/497226767.db2.gz SPQFXBBPUOSCDZ-JSGCOSHPSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000189731367 497226770 /nfs/dbraw/zinc/22/67/70/497226770.db2.gz SPQFXBBPUOSCDZ-JSGCOSHPSA-N 2 1 356.379 3.149 20 0 FGADMP FC(F)(F)C(F)(F)COCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000189731367 497226773 /nfs/dbraw/zinc/22/67/73/497226773.db2.gz SPQFXBBPUOSCDZ-JSGCOSHPSA-N 2 1 356.379 3.149 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000578228050 505892668 /nfs/dbraw/zinc/89/26/68/505892668.db2.gz GISBANHJXOPRQW-YPAWHYETSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)cc1 ZINC000578228050 505892670 /nfs/dbraw/zinc/89/26/70/505892670.db2.gz GISBANHJXOPRQW-YPAWHYETSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000578228050 505892674 /nfs/dbraw/zinc/89/26/74/505892674.db2.gz GISBANHJXOPRQW-YPAWHYETSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000578228050 505892677 /nfs/dbraw/zinc/89/26/77/505892677.db2.gz GISBANHJXOPRQW-YPAWHYETSA-N 2 1 359.558 3.370 20 0 FGADMP C[C@H](CC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237503660 497248031 /nfs/dbraw/zinc/24/80/31/497248031.db2.gz QRTPNLOPWCHXCQ-HMXCVIKNSA-N 2 1 357.542 3.135 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000278889571 497256620 /nfs/dbraw/zinc/25/66/20/497256620.db2.gz HSXTUWHXBRQPLY-DFQSSKMNSA-N 2 1 357.498 3.256 20 0 FGADMP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000278889571 497256626 /nfs/dbraw/zinc/25/66/26/497256626.db2.gz HSXTUWHXBRQPLY-DFQSSKMNSA-N 2 1 357.498 3.256 20 0 FGADMP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578236780 505894529 /nfs/dbraw/zinc/89/45/29/505894529.db2.gz LMCUWMWQSQTCCH-UFYCRDLUSA-N 2 1 366.509 3.037 20 0 FGADMP Ic1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000249999310 497259332 /nfs/dbraw/zinc/25/93/32/497259332.db2.gz PGHBKWKTWZKLEP-GJZGRUSLSA-N 2 1 356.251 3.008 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(Br)c1OC ZINC000192979492 497264947 /nfs/dbraw/zinc/26/49/47/497264947.db2.gz LXQKLONOHKYLKA-AGUYFDCRSA-N 2 1 369.303 3.181 20 0 FGADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(Br)c1OC ZINC000192979492 497264951 /nfs/dbraw/zinc/26/49/51/497264951.db2.gz LXQKLONOHKYLKA-AGUYFDCRSA-N 2 1 369.303 3.181 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000278933265 497272754 /nfs/dbraw/zinc/27/27/54/497272754.db2.gz SXKJLXGQFACYIE-HXUWFJFHSA-N 2 1 369.509 3.147 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000252007110 497294113 /nfs/dbraw/zinc/29/41/13/497294113.db2.gz XWVMPXZMLUZFNB-UZKOGDIHSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275352024 497298419 /nfs/dbraw/zinc/29/84/19/497298419.db2.gz ACIGDYZVBAYSDO-NVXWUHKLSA-N 2 1 374.916 3.126 20 0 FGADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1cc(Br)ncc1F ZINC000279035102 497312136 /nfs/dbraw/zinc/31/21/36/497312136.db2.gz WNYIGLCVOBBTMK-GHMZBOCLSA-N 2 1 353.239 3.093 20 0 FGADMP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193155428 497314092 /nfs/dbraw/zinc/31/40/92/497314092.db2.gz OWNZYXRKGKWIPD-IRXDYDNUSA-N 2 1 361.511 3.261 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cn1cccn1 ZINC000279067028 497322845 /nfs/dbraw/zinc/32/28/45/497322845.db2.gz ZTADCSXKJSVXLU-DLBZAZTESA-N 2 1 365.481 3.050 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271483894 497360519 /nfs/dbraw/zinc/36/05/19/497360519.db2.gz KWYOUIRVLFLHLL-QUCCMNQESA-N 2 1 369.509 3.208 20 0 FGADMP Cc1ccoc1C(=O)NCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271483894 497360526 /nfs/dbraw/zinc/36/05/26/497360526.db2.gz KWYOUIRVLFLHLL-QUCCMNQESA-N 2 1 369.509 3.208 20 0 FGADMP C[NH+](C)CCc1ccccc1NC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000275618655 497383866 /nfs/dbraw/zinc/38/38/66/497383866.db2.gz JEHMGRCNVUYEJE-UHFFFAOYSA-N 2 1 358.530 3.273 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)[C@@H](C)C1 ZINC000245429153 497400394 /nfs/dbraw/zinc/40/03/94/497400394.db2.gz MXNANCDJUGQVON-XJKSGUPXSA-N 2 1 373.419 3.186 20 0 FGADMP C[NH+](C)Cc1ccc(CNC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)cc1 ZINC000581079848 505905107 /nfs/dbraw/zinc/90/51/07/505905107.db2.gz GZIRYNQCHOHNCJ-IBGZPJMESA-N 2 1 359.901 3.321 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000261561288 497416185 /nfs/dbraw/zinc/41/61/85/497416185.db2.gz RLGVHIYXIWBGPU-WMQCIHAUSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000261697890 497435226 /nfs/dbraw/zinc/43/52/26/497435226.db2.gz LHLIXJUUPOBHSO-JOCHJYFZSA-N 2 1 361.493 3.164 20 0 FGADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccnc2)C1 ZINC000261697890 497435234 /nfs/dbraw/zinc/43/52/34/497435234.db2.gz LHLIXJUUPOBHSO-JOCHJYFZSA-N 2 1 361.493 3.164 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000261702841 497436602 /nfs/dbraw/zinc/43/66/02/497436602.db2.gz LQUQOQBHQMJFBJ-NRFANRHFSA-N 2 1 353.466 3.478 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2nccnc2C)cc1OC ZINC000275829787 497441723 /nfs/dbraw/zinc/44/17/23/497441723.db2.gz HPCDKRPGMYDUSB-QGZVFWFLSA-N 2 1 372.513 3.365 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261784986 497450828 /nfs/dbraw/zinc/45/08/28/497450828.db2.gz YGDVHHNEQAOGSK-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261784986 497450834 /nfs/dbraw/zinc/45/08/34/497450834.db2.gz YGDVHHNEQAOGSK-GUYCJALGSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000261893777 497469821 /nfs/dbraw/zinc/46/98/21/497469821.db2.gz CNSCVAMSUQNALV-YLJYHZDGSA-N 2 1 355.526 3.067 20 0 FGADMP C[N@@H+]1CC=C(CNC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000271901257 497482340 /nfs/dbraw/zinc/48/23/40/497482340.db2.gz GTACKYDFXVVIEX-UHFFFAOYSA-N 2 1 356.514 3.098 20 0 FGADMP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261987059 497487477 /nfs/dbraw/zinc/48/74/77/497487477.db2.gz XMFMUNOFAGGYKW-SXLOBPIMSA-N 2 1 355.526 3.060 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261989321 497488586 /nfs/dbraw/zinc/48/85/86/497488586.db2.gz KDNIVYZLVYLIDW-QFIPXVFZSA-N 2 1 365.477 3.133 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)cc1 ZINC000261989321 497488591 /nfs/dbraw/zinc/48/85/91/497488591.db2.gz KDNIVYZLVYLIDW-QFIPXVFZSA-N 2 1 365.477 3.133 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810563 497488599 /nfs/dbraw/zinc/48/85/99/497488599.db2.gz PKMFIHYYVIYGCJ-RBBKRZOGSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810563 497488601 /nfs/dbraw/zinc/48/86/01/497488601.db2.gz PKMFIHYYVIYGCJ-RBBKRZOGSA-N 2 1 365.521 3.318 20 0 FGADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000193810563 497488602 /nfs/dbraw/zinc/48/86/02/497488602.db2.gz PKMFIHYYVIYGCJ-RBBKRZOGSA-N 2 1 365.521 3.318 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000262088581 497505853 /nfs/dbraw/zinc/50/58/53/497505853.db2.gz CDXRCRYCTMQLJI-LAUBAEHRSA-N 2 1 351.494 3.235 20 0 FGADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000193887604 497511727 /nfs/dbraw/zinc/51/17/27/497511727.db2.gz GRZWYACZLACAFY-JRSUCEMESA-N 2 1 356.510 3.218 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710049 497512039 /nfs/dbraw/zinc/51/20/39/497512039.db2.gz NAJSUWRUAOHWRS-BXXSPATCSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710049 497512044 /nfs/dbraw/zinc/51/20/44/497512044.db2.gz NAJSUWRUAOHWRS-BXXSPATCSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710049 497512047 /nfs/dbraw/zinc/51/20/47/497512047.db2.gz NAJSUWRUAOHWRS-BXXSPATCSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710049 497512053 /nfs/dbraw/zinc/51/20/53/497512053.db2.gz NAJSUWRUAOHWRS-BXXSPATCSA-N 2 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710049 497512059 /nfs/dbraw/zinc/51/20/59/497512059.db2.gz NAJSUWRUAOHWRS-BXXSPATCSA-N 2 1 371.569 3.009 20 0 FGADMP O=C(NCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000245732114 497521143 /nfs/dbraw/zinc/52/11/43/497521143.db2.gz QHHRCKNQVITUSD-MZADTFQBSA-N 2 1 355.526 3.078 20 0 FGADMP C[C@H]([NH2+]CCOCC(F)(F)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276307502 497540385 /nfs/dbraw/zinc/54/03/85/497540385.db2.gz YCHANNRWTKALRP-GOEBONIOSA-N 2 1 362.411 3.404 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262363077 497545541 /nfs/dbraw/zinc/54/55/41/497545541.db2.gz VVIVRWCRAQFIJI-SPQGHWSVSA-N 2 1 369.553 3.121 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000245897919 497563587 /nfs/dbraw/zinc/56/35/87/497563587.db2.gz DGKWFCDUAWADFE-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000245897919 497563592 /nfs/dbraw/zinc/56/35/92/497563592.db2.gz DGKWFCDUAWADFE-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000245897919 497563597 /nfs/dbraw/zinc/56/35/97/497563597.db2.gz DGKWFCDUAWADFE-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000245934482 497576961 /nfs/dbraw/zinc/57/69/61/497576961.db2.gz SYBVIRBQIQPIIZ-AEFFLSMTSA-N 2 1 355.486 3.167 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC[N@H+]1C ZINC000581126894 505916163 /nfs/dbraw/zinc/91/61/63/505916163.db2.gz FICFYIWAAPHXKR-QMMLZNLJSA-N 2 1 354.494 3.166 20 0 FGADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000569357223 505916482 /nfs/dbraw/zinc/91/64/82/505916482.db2.gz AGHHJERAPGQOKR-JWWGGVBKSA-N 2 1 357.542 3.169 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000578332569 505916859 /nfs/dbraw/zinc/91/68/59/505916859.db2.gz GVKWNLHPTWFECE-UHFFFAOYSA-N 2 1 352.482 3.452 20 0 FGADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nccn2-c2ccccc2)c1 ZINC000190785661 497603018 /nfs/dbraw/zinc/60/30/18/497603018.db2.gz ZXFMQZBCAWOCMX-UHFFFAOYSA-N 2 1 350.466 3.103 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000578336054 505917653 /nfs/dbraw/zinc/91/76/53/505917653.db2.gz CMXOBIXTWAHMCJ-HXUWFJFHSA-N 2 1 360.546 3.011 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739057 497640695 /nfs/dbraw/zinc/64/06/95/497640695.db2.gz AAAGLIDITWXLNE-UWJYYQICSA-N 2 1 364.493 3.271 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H]3CCc4ccccc4NC3=O)C1)CCCC2 ZINC000276739057 497640700 /nfs/dbraw/zinc/64/07/00/497640700.db2.gz AAAGLIDITWXLNE-UWJYYQICSA-N 2 1 364.493 3.271 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC[N@@H+]1C ZINC000268045595 497666989 /nfs/dbraw/zinc/66/69/89/497666989.db2.gz QDPYBXVJFNISFJ-KBMXLJTQSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000268045595 497666994 /nfs/dbraw/zinc/66/69/94/497666994.db2.gz QDPYBXVJFNISFJ-KBMXLJTQSA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000246278399 497681089 /nfs/dbraw/zinc/68/10/89/497681089.db2.gz MHZNEGNRDOVNAB-JFHUYLGKSA-N 2 1 355.526 3.076 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000246293710 497686056 /nfs/dbraw/zinc/68/60/56/497686056.db2.gz IPCONCZSEQZOJB-WOJBJXKFSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000246293710 497686059 /nfs/dbraw/zinc/68/60/59/497686059.db2.gz IPCONCZSEQZOJB-WOJBJXKFSA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)NCCCC[N@H+]2CCCC[C@H]2C)C1 ZINC000246293710 497686060 /nfs/dbraw/zinc/68/60/60/497686060.db2.gz IPCONCZSEQZOJB-WOJBJXKFSA-N 2 1 366.594 3.308 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(C)C ZINC000246344403 497702791 /nfs/dbraw/zinc/70/27/91/497702791.db2.gz FBRQQOLRBNCJPM-OTWHNJEPSA-N 2 1 354.583 3.115 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000246360430 497707060 /nfs/dbraw/zinc/70/70/60/497707060.db2.gz PUABNNMMRCUNLF-UFYCRDLUSA-N 2 1 366.594 3.118 20 0 FGADMP CCNC(=O)c1cccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272704255 497707947 /nfs/dbraw/zinc/70/79/47/497707947.db2.gz ZVHVAFRUBWKGRW-XMSQKQJNSA-N 2 1 365.521 3.437 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246643 505924555 /nfs/dbraw/zinc/92/45/55/505924555.db2.gz JEDJWUJWCRRLTM-KRWDZBQOSA-N 2 1 372.538 3.234 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246643 505924559 /nfs/dbraw/zinc/92/45/59/505924559.db2.gz JEDJWUJWCRRLTM-KRWDZBQOSA-N 2 1 372.538 3.234 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)Nc3cccnc3)C2)s1 ZINC000572246643 505924563 /nfs/dbraw/zinc/92/45/63/505924563.db2.gz JEDJWUJWCRRLTM-KRWDZBQOSA-N 2 1 372.538 3.234 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000246410220 497724200 /nfs/dbraw/zinc/72/42/00/497724200.db2.gz KWYAFTINXINSQT-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246410220 497724208 /nfs/dbraw/zinc/72/42/08/497724208.db2.gz KWYAFTINXINSQT-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000246410220 497724214 /nfs/dbraw/zinc/72/42/14/497724214.db2.gz KWYAFTINXINSQT-LEWJYISDSA-N 2 1 357.542 3.135 20 0 FGADMP CC(=O)c1ccc(NC(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246423513 497729206 /nfs/dbraw/zinc/72/92/06/497729206.db2.gz CGIFGKQXOYPLJX-GHTZIAJQSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246423513 497729212 /nfs/dbraw/zinc/72/92/12/497729212.db2.gz CGIFGKQXOYPLJX-GHTZIAJQSA-N 2 1 369.509 3.167 20 0 FGADMP CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246423513 497729220 /nfs/dbraw/zinc/72/92/20/497729220.db2.gz CGIFGKQXOYPLJX-GHTZIAJQSA-N 2 1 369.509 3.167 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C)C1 ZINC000246452143 497738468 /nfs/dbraw/zinc/73/84/68/497738468.db2.gz OLZQDQUVJBZPPC-PXNSSMCTSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1CCCN(C(=O)CN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000246483019 497749247 /nfs/dbraw/zinc/74/92/47/497749247.db2.gz HTESLEAPSNVOLW-SVFBPWRDSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C)[C@@H]([NH3+])c1ccccc1 ZINC000246558854 497774104 /nfs/dbraw/zinc/77/41/04/497774104.db2.gz UHWZXYTYEQDNHX-GDIGMMSISA-N 2 1 359.901 3.395 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229248 497783483 /nfs/dbraw/zinc/78/34/83/497783483.db2.gz OPARCIWBONVAAF-KFKAGJAMSA-N 2 1 354.922 3.195 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608025 497787859 /nfs/dbraw/zinc/78/78/59/497787859.db2.gz WPDHAAVPTKDPCJ-CMKODMSKSA-N 2 1 360.546 3.069 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000246608025 497787862 /nfs/dbraw/zinc/78/78/62/497787862.db2.gz WPDHAAVPTKDPCJ-CMKODMSKSA-N 2 1 360.546 3.069 20 0 FGADMP Fc1ccc(-n2cc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cn2)cc1 ZINC000246850473 497816525 /nfs/dbraw/zinc/81/65/25/497816525.db2.gz SCHBQMQFIKWSPR-UWJYYQICSA-N 2 1 354.473 3.460 20 0 FGADMP Cc1ccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)cc1C ZINC000364249542 497861100 /nfs/dbraw/zinc/86/11/00/497861100.db2.gz GXVWMNFUQFISMQ-LPHOPBHVSA-N 2 1 354.502 3.056 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCc1nc(-c3ccc(Cl)cc3)no1)CC[NH2+]CC2 ZINC000578434689 505938809 /nfs/dbraw/zinc/93/88/09/505938809.db2.gz MGSZTIGWJPJIJO-AWEZNQCLSA-N 2 1 360.889 3.397 20 0 FGADMP CCc1cccc(NC(=[NH2+])NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000364268968 497871886 /nfs/dbraw/zinc/87/18/86/497871886.db2.gz XZVKXQABLVKFEW-LPHOPBHVSA-N 2 1 354.502 3.002 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1OC ZINC000280771747 497892637 /nfs/dbraw/zinc/89/26/37/497892637.db2.gz FDZYGPUQLYIALU-AOIWGVFYSA-N 2 1 364.530 3.022 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000572364197 505950612 /nfs/dbraw/zinc/95/06/12/505950612.db2.gz XSBRNJCXXUGVJZ-RTWAWAEBSA-N 3 1 370.585 3.040 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c(OC)c1 ZINC000364436529 497957497 /nfs/dbraw/zinc/95/74/97/497957497.db2.gz FQFJRUYJHQZFFY-YNVMFWSZSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c(OC)c1 ZINC000364436529 497957505 /nfs/dbraw/zinc/95/75/05/497957505.db2.gz FQFJRUYJHQZFFY-YNVMFWSZSA-N 2 1 362.514 3.244 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000578500164 505955582 /nfs/dbraw/zinc/95/55/82/505955582.db2.gz OWLUARAZEXLYLO-GOTSBHOMSA-N 2 1 352.522 3.482 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000572387609 505956997 /nfs/dbraw/zinc/95/69/97/505956997.db2.gz JLNHKEYQUIATCQ-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000292336308 497975595 /nfs/dbraw/zinc/97/55/95/497975595.db2.gz VKDVTSPKMSIZMD-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000292336308 497975601 /nfs/dbraw/zinc/97/56/01/497975601.db2.gz VKDVTSPKMSIZMD-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000292336308 497975608 /nfs/dbraw/zinc/97/56/08/497975608.db2.gz VKDVTSPKMSIZMD-TYPHKJRUSA-N 2 1 357.542 3.135 20 0 FGADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519151 505959274 /nfs/dbraw/zinc/95/92/74/505959274.db2.gz QIHFFVRISQNBLR-MOPGFXCFSA-N 2 1 354.922 3.100 20 0 FGADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000578519151 505959278 /nfs/dbraw/zinc/95/92/78/505959278.db2.gz QIHFFVRISQNBLR-MOPGFXCFSA-N 2 1 354.922 3.100 20 0 FGADMP CN(CC(=O)N1CCC(Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285501801 498108903 /nfs/dbraw/zinc/10/89/03/498108903.db2.gz MUUJSUOXWTVNCL-CBQGHPETSA-N 2 1 369.553 3.025 20 0 FGADMP COc1ccc([C@H](NC(=O)CN2CCC(n3ccnc3)CC2)C(C)C)cc1 ZINC000364729554 498117903 /nfs/dbraw/zinc/11/79/03/498117903.db2.gz HGXDFDOYWSKRIX-OAQYLSRUSA-N 2 1 370.497 3.042 20 0 FGADMP Cc1[nH+]cc2n1CC[C@H](C(=O)Nc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000289431567 498143421 /nfs/dbraw/zinc/14/34/21/498143421.db2.gz DFZYCCTZLXCUSU-SFHVURJKSA-N 2 1 352.482 3.379 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834968 498164544 /nfs/dbraw/zinc/16/45/44/498164544.db2.gz AVGXVYDTCHUVNF-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834968 498164553 /nfs/dbraw/zinc/16/45/53/498164553.db2.gz AVGXVYDTCHUVNF-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3nc(-c4cccc(Cl)c4)no3)C2)C1 ZINC000292834968 498164560 /nfs/dbraw/zinc/16/45/60/498164560.db2.gz AVGXVYDTCHUVNF-LJQANCHMSA-N 2 1 360.889 3.350 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000569720728 506001207 /nfs/dbraw/zinc/00/12/07/506001207.db2.gz ROJPUFHVKJCKOQ-RBBKRZOGSA-N 2 1 369.553 3.409 20 0 FGADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000281753448 498258248 /nfs/dbraw/zinc/25/82/48/498258248.db2.gz WAEKZFKSHXMFAI-RXVVDRJESA-N 2 1 370.468 3.178 20 0 FGADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])c1ccccc1C ZINC000572598892 506008350 /nfs/dbraw/zinc/00/83/50/506008350.db2.gz CUTFKTMDELJGBU-UNMCSNQZSA-N 2 1 365.521 3.365 20 0 FGADMP C[N@@H+](Cc1cc(-c2ccc(F)cc2)no1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000360474073 498278996 /nfs/dbraw/zinc/27/89/96/498278996.db2.gz YAIJRHIVCZQTFL-LJQANCHMSA-N 2 1 372.488 3.081 20 0 FGADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c2ccccc2C1 ZINC000360661591 498293861 /nfs/dbraw/zinc/29/38/61/498293861.db2.gz LEGAHGDVHCFYAU-DENIHFKCSA-N 2 1 357.542 3.438 20 0 FGADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289799214 498298096 /nfs/dbraw/zinc/29/80/96/498298096.db2.gz SFKRKEFFPMAKGP-PBASOCQRSA-N 2 1 368.525 3.233 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240277 498363360 /nfs/dbraw/zinc/36/33/60/498363360.db2.gz HOASYDPZJGZDMC-DENIHFKCSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCOCC1CCOCC1 ZINC000361240277 498363365 /nfs/dbraw/zinc/36/33/65/498363365.db2.gz HOASYDPZJGZDMC-DENIHFKCSA-N 2 1 360.542 3.320 20 0 FGADMP CCC(C)(C)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365243169 498369287 /nfs/dbraw/zinc/36/92/87/498369287.db2.gz HKEUUXXVNSCBES-UHFFFAOYSA-N 2 1 366.594 3.260 20 0 FGADMP CCN(C(=O)N[C@@H]1C[C@H](C)n2ccnc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575889068 506027444 /nfs/dbraw/zinc/02/74/44/506027444.db2.gz FHWOKIPQGSUMHK-YTQUADARSA-N 2 1 367.497 3.195 20 0 FGADMP CCN(C(=O)N[C@@H]1C[C@@H](C)n2ccnc21)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000575889065 506027572 /nfs/dbraw/zinc/02/75/72/506027572.db2.gz FHWOKIPQGSUMHK-BHIYHBOVSA-N 2 1 367.497 3.195 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c(OCc2cccnc2)c1 ZINC000578831299 506030277 /nfs/dbraw/zinc/03/02/77/506030277.db2.gz AMSNXWRXTMPTIT-KRWDZBQOSA-N 2 1 355.482 3.101 20 0 FGADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(OCc2cccnc2)c1 ZINC000578831299 506030278 /nfs/dbraw/zinc/03/02/78/506030278.db2.gz AMSNXWRXTMPTIT-KRWDZBQOSA-N 2 1 355.482 3.101 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635302 506032743 /nfs/dbraw/zinc/03/27/43/506032743.db2.gz ZQMKCGXACMHWCT-GUYCJALGSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635302 506032746 /nfs/dbraw/zinc/03/27/46/506032746.db2.gz ZQMKCGXACMHWCT-GUYCJALGSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635302 506032750 /nfs/dbraw/zinc/03/27/50/506032750.db2.gz ZQMKCGXACMHWCT-GUYCJALGSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635302 506032753 /nfs/dbraw/zinc/03/27/53/506032753.db2.gz ZQMKCGXACMHWCT-GUYCJALGSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635302 506032754 /nfs/dbraw/zinc/03/27/54/506032754.db2.gz ZQMKCGXACMHWCT-GUYCJALGSA-N 2 1 365.315 3.497 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CC1=Cc2cc(Br)ccc2OC1 ZINC000581635302 506032758 /nfs/dbraw/zinc/03/27/58/506032758.db2.gz ZQMKCGXACMHWCT-GUYCJALGSA-N 2 1 365.315 3.497 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000293679525 498452090 /nfs/dbraw/zinc/45/20/90/498452090.db2.gz KGXLXRYYACBXMV-JSGCOSHPSA-N 2 1 373.360 3.324 20 0 FGADMP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000572725631 506037581 /nfs/dbraw/zinc/03/75/81/506037581.db2.gz VYKQTJMYNUMJOQ-UHFFFAOYSA-N 2 1 369.553 3.319 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000293766367 498481814 /nfs/dbraw/zinc/48/18/14/498481814.db2.gz KLCAJXAMJFMTDF-BEFAXECRSA-N 2 1 358.461 3.015 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN([C@H](C)c2ccc(F)cc2)C1=O ZINC000293766367 498481819 /nfs/dbraw/zinc/48/18/19/498481819.db2.gz KLCAJXAMJFMTDF-BEFAXECRSA-N 2 1 358.461 3.015 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)Cc3ccc(O)cc3)CC2)oc1C ZINC000293772053 498483648 /nfs/dbraw/zinc/48/36/48/498483648.db2.gz ZZYHKTRFNIPZLH-OAHLLOKOSA-N 2 1 357.498 3.430 20 0 FGADMP COC1(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCOCC1 ZINC000365472955 498484855 /nfs/dbraw/zinc/48/48/55/498484855.db2.gz MCSWQZWLBFSORQ-WCRBZPEASA-N 2 1 358.526 3.309 20 0 FGADMP COC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCOCC1 ZINC000365472955 498484859 /nfs/dbraw/zinc/48/48/59/498484859.db2.gz MCSWQZWLBFSORQ-WCRBZPEASA-N 2 1 358.526 3.309 20 0 FGADMP COC1(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCOCC1 ZINC000365472955 498484863 /nfs/dbraw/zinc/48/48/63/498484863.db2.gz MCSWQZWLBFSORQ-WCRBZPEASA-N 2 1 358.526 3.309 20 0 FGADMP COc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCCC[NH+](C)C)c(OC)c1 ZINC000290280513 498494209 /nfs/dbraw/zinc/49/42/09/498494209.db2.gz MDASJEYTBBVVTP-MRXNPFEDSA-N 2 1 373.497 3.280 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294676 498499451 /nfs/dbraw/zinc/49/94/51/498499451.db2.gz YETYAZXASSMTRW-ICSRJNTNSA-N 2 1 355.530 3.294 20 0 FGADMP C[C@H](CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000569910482 506045128 /nfs/dbraw/zinc/04/51/28/506045128.db2.gz LSWOYGSMWKPRFR-OAHLLOKOSA-N 2 1 370.472 3.113 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431882 498509903 /nfs/dbraw/zinc/50/99/03/498509903.db2.gz HNICGMFWSFIAFT-MOPGFXCFSA-N 2 1 356.510 3.363 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000282431882 498509906 /nfs/dbraw/zinc/50/99/06/498509906.db2.gz HNICGMFWSFIAFT-MOPGFXCFSA-N 2 1 356.510 3.363 20 0 FGADMP COCCC[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1 ZINC000282448322 498516894 /nfs/dbraw/zinc/51/68/94/498516894.db2.gz UYFDDVOELLLRFR-YLJYHZDGSA-N 2 1 352.494 3.384 20 0 FGADMP C[C@H](NC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)c1cccs1 ZINC000362616875 498525405 /nfs/dbraw/zinc/52/54/05/498525405.db2.gz NONHRSZOJHKXAS-HOTGVXAUSA-N 2 1 361.555 3.122 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1nc2ccccc2s1 ZINC000282482407 498529560 /nfs/dbraw/zinc/52/95/60/498529560.db2.gz WXQXDOXALVWMPG-HZPDHXFCSA-N 2 1 360.571 3.404 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC(F)F)c1 ZINC000578939595 506055715 /nfs/dbraw/zinc/05/57/15/506055715.db2.gz GZHRHZGIOSBFMZ-OAHLLOKOSA-N 2 1 354.441 3.460 20 0 FGADMP COc1cc(Br)c(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000290540100 498590755 /nfs/dbraw/zinc/59/07/55/498590755.db2.gz REUHYBSYBZVDBR-IUODEOHRSA-N 2 1 371.319 3.238 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000302984598 498636475 /nfs/dbraw/zinc/63/64/75/498636475.db2.gz KGGCAMHHVLASAU-HSALFYBXSA-N 2 1 366.594 3.164 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c2)n1 ZINC000365807036 498649518 /nfs/dbraw/zinc/64/95/18/498649518.db2.gz RQHBTBMZEZVNPJ-ALOPSCKCSA-N 2 1 371.506 3.312 20 0 FGADMP CC(C)[NH2+]CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000572857717 506069159 /nfs/dbraw/zinc/06/91/59/506069159.db2.gz ROTQSHMIRFKFOI-QUCCMNQESA-N 2 1 360.546 3.069 20 0 FGADMP Cc1cc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc(N2CCCC2)[nH+]1 ZINC000290734310 498661848 /nfs/dbraw/zinc/66/18/48/498661848.db2.gz QUFFJEXCQYJFMW-UHFFFAOYSA-N 2 1 373.545 3.099 20 0 FGADMP CC[C@@H]1CCCN(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C1 ZINC000365841467 498665790 /nfs/dbraw/zinc/66/57/90/498665790.db2.gz PCRAABMJQSEFBH-GOSISDBHSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000303461127 498677172 /nfs/dbraw/zinc/67/71/72/498677172.db2.gz LPGZXOCCBITRLX-MOPGFXCFSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000303461127 498677177 /nfs/dbraw/zinc/67/71/77/498677177.db2.gz LPGZXOCCBITRLX-MOPGFXCFSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@@H](CNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000303461127 498677185 /nfs/dbraw/zinc/67/71/85/498677185.db2.gz LPGZXOCCBITRLX-MOPGFXCFSA-N 2 1 374.573 3.317 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)cc1OC ZINC000363175158 498686385 /nfs/dbraw/zinc/68/63/85/498686385.db2.gz OQIFDWLXLSNQJL-PBWTXFEYSA-N 2 1 362.514 3.244 20 0 FGADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)cc1OC ZINC000363175159 498686448 /nfs/dbraw/zinc/68/64/48/498686448.db2.gz OQIFDWLXLSNQJL-RNIPGJKVSA-N 2 1 362.514 3.244 20 0 FGADMP CCOc1ccc(OCC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000363202861 498701744 /nfs/dbraw/zinc/70/17/44/498701744.db2.gz YVPRHHDRVUYNPG-UHFFFAOYSA-N 2 1 362.514 3.039 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000366001225 498726857 /nfs/dbraw/zinc/72/68/57/498726857.db2.gz NUFVMKNMCIRPCO-HNAYVOBHSA-N 2 1 357.523 3.233 20 0 FGADMP Cc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646345 498761389 /nfs/dbraw/zinc/76/13/89/498761389.db2.gz KELQXAPHWQXEOM-FCHUYYIVSA-N 2 1 368.521 3.155 20 0 FGADMP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)c1 ZINC000312646356 498761686 /nfs/dbraw/zinc/76/16/86/498761686.db2.gz KELQXAPHWQXEOM-YADHBBJMSA-N 2 1 368.521 3.155 20 0 FGADMP CNC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000312938479 498763037 /nfs/dbraw/zinc/76/30/37/498763037.db2.gz PCVPIXSGTWLFJP-NRFANRHFSA-N 2 1 365.521 3.438 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C[NH+]1CCCC1 ZINC000332826234 498804759 /nfs/dbraw/zinc/80/47/59/498804759.db2.gz KIIJAUQKLGPSMP-HKUYNNGSSA-N 2 1 372.557 3.341 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952739 506098757 /nfs/dbraw/zinc/09/87/57/506098757.db2.gz STPZIVNQDGTAAU-QFBILLFUSA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccc(Cl)cc1 ZINC000581952739 506098758 /nfs/dbraw/zinc/09/87/58/506098758.db2.gz STPZIVNQDGTAAU-QFBILLFUSA-N 2 1 363.933 3.133 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000298664669 498843949 /nfs/dbraw/zinc/84/39/49/498843949.db2.gz YDBCJDFAJLJFPG-UHFFFAOYSA-N 2 1 353.470 3.450 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000298664669 498843953 /nfs/dbraw/zinc/84/39/53/498843953.db2.gz YDBCJDFAJLJFPG-UHFFFAOYSA-N 2 1 353.470 3.450 20 0 FGADMP COC(=O)c1ccc(-c2ccc(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)o2)cc1 ZINC000294980164 498869734 /nfs/dbraw/zinc/86/97/34/498869734.db2.gz JSMWZEZUTJUDHM-AYHJJNSGSA-N 2 1 354.450 3.448 20 0 FGADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000570172897 506108046 /nfs/dbraw/zinc/10/80/46/506108046.db2.gz ANKBYRUZUMDVKE-NRFANRHFSA-N 2 1 357.542 3.281 20 0 FGADMP C[NH+](C)CC(=O)Nc1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)cc1 ZINC000582001451 506110401 /nfs/dbraw/zinc/11/04/01/506110401.db2.gz RRLMBFHXMGORFT-KRWDZBQOSA-N 2 1 374.529 3.203 20 0 FGADMP COC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(C[NH+]3CC[C@H](COC)C3)c2)C1 ZINC000295115215 498914510 /nfs/dbraw/zinc/91/45/10/498914510.db2.gz VWBSNOGPCLPJOP-CALCHBBNSA-N 2 1 366.933 3.277 20 0 FGADMP COC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CC[C@H](COC)C3)c2)C1 ZINC000295115215 498914514 /nfs/dbraw/zinc/91/45/14/498914514.db2.gz VWBSNOGPCLPJOP-CALCHBBNSA-N 2 1 366.933 3.277 20 0 FGADMP COC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@H](COC)C3)c2)C1 ZINC000295115215 498914521 /nfs/dbraw/zinc/91/45/21/498914521.db2.gz VWBSNOGPCLPJOP-CALCHBBNSA-N 2 1 366.933 3.277 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]Cc3cc(F)c(F)c(F)c3)CC2)CC1 ZINC000363660578 498928647 /nfs/dbraw/zinc/92/86/47/498928647.db2.gz FWOLPJIPWTYEOY-UHFFFAOYSA-N 3 1 369.475 3.390 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576253430 506113955 /nfs/dbraw/zinc/11/39/55/506113955.db2.gz GKBRBYHFSMPKNN-BBTUJRGHSA-N 2 1 372.557 3.248 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(N2CCC3(CCC[N@H+]3C)CC2)ncn1 ZINC000333217463 498941003 /nfs/dbraw/zinc/94/10/03/498941003.db2.gz QXNIGIARTYATRN-PXNSSMCTSA-N 2 1 373.545 3.157 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000366507374 498957225 /nfs/dbraw/zinc/95/72/25/498957225.db2.gz APFUNKPAYDRSJE-GHTZIAJQSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000366507374 498957232 /nfs/dbraw/zinc/95/72/32/498957232.db2.gz APFUNKPAYDRSJE-GHTZIAJQSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000366507374 498957239 /nfs/dbraw/zinc/95/72/39/498957239.db2.gz APFUNKPAYDRSJE-GHTZIAJQSA-N 2 1 355.526 3.126 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)c3ccccc3CC[NH3+])cc2)C1 ZINC000573103045 506120276 /nfs/dbraw/zinc/12/02/76/506120276.db2.gz RGASSJYETOXGFG-KRWDZBQOSA-N 2 1 367.493 3.161 20 0 FGADMP C(C[NH+]1CCCC2(CCC[N@H+](CC[C@@H]3CCCO3)C2)C1)[C@@H]1CCCO1 ZINC000579217070 506121769 /nfs/dbraw/zinc/12/17/69/506121769.db2.gz ZQYJXZQOERKYKK-AHTKWCMKSA-N 2 1 350.547 3.303 20 0 FGADMP C[C@@H]1[C@H](NC(=O)c2cccc(Cn3ccnc3)c2)CC[N@H+]1Cc1ccccc1 ZINC000288265422 498980956 /nfs/dbraw/zinc/98/09/56/498980956.db2.gz PLQNPYWETWNEED-XMSQKQJNSA-N 2 1 374.488 3.324 20 0 FGADMP CCc1occc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000366727438 499050800 /nfs/dbraw/zinc/05/08/00/499050800.db2.gz NLEIRDIBAHDSTM-UHFFFAOYSA-N 2 1 361.530 3.110 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC000366795897 499076664 /nfs/dbraw/zinc/07/66/64/499076664.db2.gz PHIBJVJEWMYJCG-PMACEKPBSA-N 2 1 355.457 3.063 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)cc2)cc1 ZINC000366795897 499076669 /nfs/dbraw/zinc/07/66/69/499076669.db2.gz PHIBJVJEWMYJCG-PMACEKPBSA-N 2 1 355.457 3.063 20 0 FGADMP COCCN1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284299249 499085484 /nfs/dbraw/zinc/08/54/84/499085484.db2.gz YOERZFIJSQTAST-UHFFFAOYSA-N 3 1 359.558 3.130 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284299249 499085487 /nfs/dbraw/zinc/08/54/87/499085487.db2.gz YOERZFIJSQTAST-UHFFFAOYSA-N 3 1 359.558 3.130 20 0 FGADMP COCC[NH+]1CCC([NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CC1 ZINC000284299249 499085489 /nfs/dbraw/zinc/08/54/89/499085489.db2.gz YOERZFIJSQTAST-UHFFFAOYSA-N 3 1 359.558 3.130 20 0 FGADMP c1cc(C[N@H+]2CCC[C@@]23CCOC3)ccc1C[NH+]1CCC[C@@]12CCOC2 ZINC000366941234 499119925 /nfs/dbraw/zinc/11/99/25/499119925.db2.gz AMBQUGUGSBPGQG-VXKWHMMOSA-N 2 1 356.510 3.196 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000366997017 499131622 /nfs/dbraw/zinc/13/16/22/499131622.db2.gz PXHWQTYTNSRNAJ-QFBILLFUSA-N 2 1 362.543 3.154 20 0 FGADMP COCCCn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000366997017 499131624 /nfs/dbraw/zinc/13/16/24/499131624.db2.gz PXHWQTYTNSRNAJ-QFBILLFUSA-N 2 1 362.543 3.154 20 0 FGADMP C[C@H]1CCC[N@H+]1C1CCN(C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC1 ZINC000367071756 499143721 /nfs/dbraw/zinc/14/37/21/499143721.db2.gz CLPDRQPWJHGOLU-NZQKXSOJSA-N 2 1 371.569 3.226 20 0 FGADMP C[C@H]1CCC[NH+]1C1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000367071756 499143723 /nfs/dbraw/zinc/14/37/23/499143723.db2.gz CLPDRQPWJHGOLU-NZQKXSOJSA-N 2 1 371.569 3.226 20 0 FGADMP COc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc(OC)c1O ZINC000367308966 499178143 /nfs/dbraw/zinc/17/81/43/499178143.db2.gz RWCXAWMZMKUVEA-UHFFFAOYSA-N 2 1 371.481 3.153 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(-c4ccccc4)on3)CC2)CC1 ZINC000367565946 499213069 /nfs/dbraw/zinc/21/30/69/499213069.db2.gz OBXHFQCIEIHDES-UHFFFAOYSA-N 2 1 368.525 3.191 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000370488840 499225436 /nfs/dbraw/zinc/22/54/36/499225436.db2.gz UNAMMPRXEOYFBQ-HNNXBMFYSA-N 2 1 355.324 3.157 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615369 499235729 /nfs/dbraw/zinc/23/57/29/499235729.db2.gz CDRUWTPRRQXFFL-DVWBAYGPSA-N 2 1 364.505 3.382 20 0 FGADMP COCC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccc(F)cc1 ZINC000370615369 499235730 /nfs/dbraw/zinc/23/57/30/499235730.db2.gz CDRUWTPRRQXFFL-DVWBAYGPSA-N 2 1 364.505 3.382 20 0 FGADMP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000370619679 499236123 /nfs/dbraw/zinc/23/61/23/499236123.db2.gz DOUCQTWVCBOTAD-XJKSGUPXSA-N 2 1 361.477 3.357 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)[C@@H]1c1cccs1 ZINC000370619679 499236125 /nfs/dbraw/zinc/23/61/25/499236125.db2.gz DOUCQTWVCBOTAD-XJKSGUPXSA-N 2 1 361.477 3.357 20 0 FGADMP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367885828 499241851 /nfs/dbraw/zinc/24/18/51/499241851.db2.gz MWUHXZUMCIBYAM-NRFANRHFSA-N 2 1 366.509 3.059 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000370678645 499243330 /nfs/dbraw/zinc/24/33/30/499243330.db2.gz DRIJQASHRFOHJC-UHFFFAOYSA-N 2 1 360.889 3.129 20 0 FGADMP C[C@H]1C[N@@H+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CCCO1 ZINC000370730543 499249235 /nfs/dbraw/zinc/24/92/35/499249235.db2.gz OYRGDLAATPHQIK-SNJCGAMXSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCO1 ZINC000370730543 499249237 /nfs/dbraw/zinc/24/92/37/499249237.db2.gz OYRGDLAATPHQIK-SNJCGAMXSA-N 2 1 371.569 3.273 20 0 FGADMP C[C@H]1C[NH+](CCCN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCCO1 ZINC000370730543 499249239 /nfs/dbraw/zinc/24/92/39/499249239.db2.gz OYRGDLAATPHQIK-SNJCGAMXSA-N 2 1 371.569 3.273 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC)c1OCC(F)F ZINC000367957652 499249798 /nfs/dbraw/zinc/24/97/98/499249798.db2.gz MTILLQPTLJBRQA-GJZGRUSLSA-N 2 1 370.440 3.064 20 0 FGADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC)c1OCC(F)F ZINC000367957652 499249799 /nfs/dbraw/zinc/24/97/99/499249799.db2.gz MTILLQPTLJBRQA-GJZGRUSLSA-N 2 1 370.440 3.064 20 0 FGADMP Cc1cccc(NC2CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c3ccccc3)CC2)[nH+]1 ZINC000370766118 499252687 /nfs/dbraw/zinc/25/26/87/499252687.db2.gz JVCBLQHWGNXHLZ-OXJNMPFZSA-N 2 1 352.482 3.129 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367995219 499253168 /nfs/dbraw/zinc/25/31/68/499253168.db2.gz YDTRPUACEGBEEW-OHQAAIJDSA-N 2 1 362.489 3.301 20 0 FGADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367995219 499253170 /nfs/dbraw/zinc/25/31/70/499253170.db2.gz YDTRPUACEGBEEW-OHQAAIJDSA-N 2 1 362.489 3.301 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017191 499255209 /nfs/dbraw/zinc/25/52/09/499255209.db2.gz GZCSIYDDWDIEEJ-IEBWSBKVSA-N 2 1 361.505 3.140 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C2)CC1 ZINC000368017192 499255265 /nfs/dbraw/zinc/25/52/65/499255265.db2.gz GZCSIYDDWDIEEJ-MJGOQNOKSA-N 2 1 361.505 3.140 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)CC2(SC)CCC2)[C@@H]1c1cnn(C)c1 ZINC000368110218 499265267 /nfs/dbraw/zinc/26/52/67/499265267.db2.gz SEZTVXIAKBTDIY-FUHWJXTLSA-N 2 1 350.576 3.411 20 0 FGADMP CN(CC1CCCC1)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371077900 499286869 /nfs/dbraw/zinc/28/68/69/499286869.db2.gz FATPYMNDSIDFKD-UHFFFAOYSA-N 2 1 364.578 3.014 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000371132175 499291608 /nfs/dbraw/zinc/29/16/08/499291608.db2.gz VDHPGXXCCXUREM-HXUWFJFHSA-N 2 1 366.509 3.346 20 0 FGADMP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000371157079 499294305 /nfs/dbraw/zinc/29/43/05/499294305.db2.gz YKIDZJYQQJHEMP-OKCRPCIYSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cc2)C[C@H](C)O1 ZINC000368528985 499304870 /nfs/dbraw/zinc/30/48/70/499304870.db2.gz WTNSEMVMPQCLNM-LVCYWYKZSA-N 2 1 358.526 3.345 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)c(F)c2)cn1C ZINC000368565246 499307894 /nfs/dbraw/zinc/30/78/94/499307894.db2.gz BUEGISPYHIRXQH-CYBMUJFWSA-N 2 1 370.428 3.296 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc(-c2cccnc2)c1 ZINC000371468351 499330797 /nfs/dbraw/zinc/33/07/97/499330797.db2.gz APSGGKWMDFEZIF-VSKRKVRLSA-N 2 1 351.494 3.432 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371472454 499331479 /nfs/dbraw/zinc/33/14/79/499331479.db2.gz ZOSSTYCWHMGIBQ-ILWGZMRPSA-N 2 1 368.525 3.173 20 0 FGADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371472454 499331480 /nfs/dbraw/zinc/33/14/80/499331480.db2.gz ZOSSTYCWHMGIBQ-ILWGZMRPSA-N 2 1 368.525 3.173 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000371514898 499336826 /nfs/dbraw/zinc/33/68/26/499336826.db2.gz QTEMSFAKMBODGT-SCWSEQNSSA-N 2 1 362.481 3.006 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985876 499387144 /nfs/dbraw/zinc/38/71/44/499387144.db2.gz WNRCFBJEIIKGFZ-WTIAFYNJSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000371985876 499387146 /nfs/dbraw/zinc/38/71/46/499387146.db2.gz WNRCFBJEIIKGFZ-WTIAFYNJSA-N 2 1 371.569 3.261 20 0 FGADMP C[C@@H](CCCc1cccnc1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000579317844 506145116 /nfs/dbraw/zinc/14/51/16/506145116.db2.gz PKPDZUWDYDGXPQ-ICSRJNTNSA-N 2 1 372.582 3.433 20 0 FGADMP Cc1cccc(NC2CC[NH+](Cc3ccc4c(c3)CCC(=O)N4C)CC2)[nH+]1 ZINC000372290106 499417083 /nfs/dbraw/zinc/41/70/83/499417083.db2.gz VHKOWVLFWMLTII-UHFFFAOYSA-N 2 1 364.493 3.376 20 0 FGADMP Cc1ccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000369711512 499438421 /nfs/dbraw/zinc/43/84/21/499438421.db2.gz CSYNLJAEDXOSAY-TZIWHRDSSA-N 2 1 351.494 3.023 20 0 FGADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1Cc1ccccc1 ZINC000369739819 499439708 /nfs/dbraw/zinc/43/97/08/499439708.db2.gz QKGOHRDAMUTGCM-OAQYLSRUSA-N 2 1 355.526 3.174 20 0 FGADMP CC(C)c1occc1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000373678958 499483001 /nfs/dbraw/zinc/48/30/01/499483001.db2.gz FSCROBOENJFRJW-UHFFFAOYSA-N 2 1 361.530 3.329 20 0 FGADMP CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000375484663 499524553 /nfs/dbraw/zinc/52/45/53/499524553.db2.gz OKLTVLPVKKTMRC-MRXNPFEDSA-N 2 1 374.451 3.088 20 0 FGADMP CCC[N@H+](C[C@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375484663 499524554 /nfs/dbraw/zinc/52/45/54/499524554.db2.gz OKLTVLPVKKTMRC-MRXNPFEDSA-N 2 1 374.451 3.088 20 0 FGADMP CCC[N@@H+](C[C@H](O)CC(F)(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375484663 499524555 /nfs/dbraw/zinc/52/45/55/499524555.db2.gz OKLTVLPVKKTMRC-MRXNPFEDSA-N 2 1 374.451 3.088 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523700 499527972 /nfs/dbraw/zinc/52/79/72/499527972.db2.gz WBHJAJLOXAOVJR-YVWKXTFCSA-N 2 1 372.557 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000378523700 499527974 /nfs/dbraw/zinc/52/79/74/499527974.db2.gz WBHJAJLOXAOVJR-YVWKXTFCSA-N 2 1 372.557 3.292 20 0 FGADMP CC[N@H+](Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1)C(C)C ZINC000375564555 499532869 /nfs/dbraw/zinc/53/28/69/499532869.db2.gz LAIIXSZOWDLFKN-UHFFFAOYSA-N 2 1 354.498 3.380 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NCc2c[nH+]c3n2CCCC3)cc1)C(C)C ZINC000375564555 499532871 /nfs/dbraw/zinc/53/28/71/499532871.db2.gz LAIIXSZOWDLFKN-UHFFFAOYSA-N 2 1 354.498 3.380 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000379638498 499541859 /nfs/dbraw/zinc/54/18/59/499541859.db2.gz ZZZKTLXKRRPQJZ-VQIMIIECSA-N 2 1 369.509 3.263 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n(C)c1C ZINC000379638498 499541861 /nfs/dbraw/zinc/54/18/61/499541861.db2.gz ZZZKTLXKRRPQJZ-VQIMIIECSA-N 2 1 369.509 3.263 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626614 499542364 /nfs/dbraw/zinc/54/23/64/499542364.db2.gz MEOAFJBDLVVUMG-KSEOMHKRSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626614 499542365 /nfs/dbraw/zinc/54/23/65/499542365.db2.gz MEOAFJBDLVVUMG-KSEOMHKRSA-N 2 1 368.521 3.377 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)COc1ccccc1 ZINC000380852678 499543944 /nfs/dbraw/zinc/54/39/44/499543944.db2.gz CNDHNLOOIKWDFU-YADHBBJMSA-N 2 1 368.521 3.318 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(F)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000383333880 499546639 /nfs/dbraw/zinc/54/66/39/499546639.db2.gz ZWZCVGYFYDKZCV-HFSMHLIXSA-N 2 1 372.484 3.066 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390688289 499555158 /nfs/dbraw/zinc/55/51/58/499555158.db2.gz ZMYNRXFVWIXVOL-CEMLEFRQSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390688289 499555159 /nfs/dbraw/zinc/55/51/59/499555159.db2.gz ZMYNRXFVWIXVOL-CEMLEFRQSA-N 2 1 359.558 3.178 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCN1C(=O)OC(C)(C)C ZINC000375838894 499560741 /nfs/dbraw/zinc/56/07/41/499560741.db2.gz KNUHOUVIZXLCOU-UYTYNIKBSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000398058004 499566007 /nfs/dbraw/zinc/56/60/07/499566007.db2.gz LSIGCNMFHVKYLH-JRGCBEDISA-N 2 1 357.542 3.311 20 0 FGADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000404307300 499570151 /nfs/dbraw/zinc/57/01/51/499570151.db2.gz CPOSYZNUBBZDAI-VNTMZGSJSA-N 2 1 357.542 3.276 20 0 FGADMP CCO[C@H]1C[C@H]([NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)C12CCC2 ZINC000376168590 499588390 /nfs/dbraw/zinc/58/83/90/499588390.db2.gz XLQDJWUOHLCIFI-SFTDATJTSA-N 3 1 363.590 3.120 20 0 FGADMP CN1c2ccc(C[NH+]3CCC4(C[C@@H]4C[N@@H+](C)C4CC4)CC3)cc2CCC1=O ZINC000376325932 499600720 /nfs/dbraw/zinc/60/07/20/499600720.db2.gz UEGJYPFTPJPVOW-LJQANCHMSA-N 2 1 367.537 3.292 20 0 FGADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000376605641 499622428 /nfs/dbraw/zinc/62/24/28/499622428.db2.gz GRUUITFJFXFKAW-ZWKKMZQASA-N 2 1 364.578 3.010 20 0 FGADMP C[N@@H+](CCCC(=O)OC(C)(C)C)C1CCN(CCc2ccncc2)CC1 ZINC000376864946 499642073 /nfs/dbraw/zinc/64/20/73/499642073.db2.gz RVGVAQNKPCZUHD-UHFFFAOYSA-N 2 1 361.530 3.142 20 0 FGADMP CN1c2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)cc2CCC1=O ZINC000376940842 499647967 /nfs/dbraw/zinc/64/79/67/499647967.db2.gz KTJBPQNJFVQYEZ-NZQKXSOJSA-N 2 1 363.505 3.378 20 0 FGADMP CC(C)[NH+]1CCN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@@H]3C)cc2)CC1 ZINC000410348647 499656543 /nfs/dbraw/zinc/65/65/43/499656543.db2.gz ZMEGJZUKDRRKCC-IBGZPJMESA-N 2 1 372.557 3.297 20 0 FGADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000377044556 499656608 /nfs/dbraw/zinc/65/66/08/499656608.db2.gz HEXSHRWOHJEFBL-OALUTQOASA-N 2 1 360.546 3.233 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000410355893 499657322 /nfs/dbraw/zinc/65/73/22/499657322.db2.gz AGZHTSJZLAOOGU-ROUUACIJSA-N 2 1 359.514 3.405 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCN(c3ccccc3)CC2)CC1 ZINC000377522369 499700069 /nfs/dbraw/zinc/70/00/69/499700069.db2.gz DKPCLCLOUMJRQN-UHFFFAOYSA-N 2 1 358.574 3.003 20 0 FGADMP c1ccc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)nc1 ZINC000411144993 499702616 /nfs/dbraw/zinc/70/26/16/499702616.db2.gz QOQUUMNJNVSQOO-UHFFFAOYSA-N 2 1 364.537 3.385 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)c2ccc(F)cc2)CC1 ZINC000411364875 499730094 /nfs/dbraw/zinc/73/00/94/499730094.db2.gz BDVIDQXJSOHGNJ-QFIPXVFZSA-N 2 1 369.484 3.105 20 0 FGADMP CCc1oc(C(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1C ZINC000378162334 499761396 /nfs/dbraw/zinc/76/13/96/499761396.db2.gz VNFNAXVLOPWIBW-UHFFFAOYSA-N 2 1 361.530 3.077 20 0 FGADMP CCOC(=O)C[C@H]1C[C@H](OC)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411558927 499763132 /nfs/dbraw/zinc/76/31/32/499763132.db2.gz MQCOVKUEJSLFRX-RTWAWAEBSA-N 2 1 374.525 3.215 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411630220 499770834 /nfs/dbraw/zinc/77/08/34/499770834.db2.gz HCZCUDYIXFOAIK-GOSISDBHSA-N 2 1 358.461 3.102 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411630220 499770836 /nfs/dbraw/zinc/77/08/36/499770836.db2.gz HCZCUDYIXFOAIK-GOSISDBHSA-N 2 1 358.461 3.102 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414286608 499774424 /nfs/dbraw/zinc/77/44/24/499774424.db2.gz NFUNQXVITSTRBK-UHFFFAOYSA-N 2 1 366.552 3.282 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414286608 499774426 /nfs/dbraw/zinc/77/44/26/499774426.db2.gz NFUNQXVITSTRBK-UHFFFAOYSA-N 2 1 366.552 3.282 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1ccc(F)cc1 ZINC000414294444 499775021 /nfs/dbraw/zinc/77/50/21/499775021.db2.gz QCGWPUPVBUZUGQ-IRMYBRCSSA-N 2 1 368.496 3.402 20 0 FGADMP CS(=O)(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411688031 499777867 /nfs/dbraw/zinc/77/78/67/499777867.db2.gz HNYQQPKYUDDPCF-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CS(=O)(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411688031 499777869 /nfs/dbraw/zinc/77/78/69/499777869.db2.gz HNYQQPKYUDDPCF-HXUWFJFHSA-N 2 1 364.555 3.072 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414340314 499779405 /nfs/dbraw/zinc/77/94/05/499779405.db2.gz GVONVCFCXICUTL-LMNJBCLMSA-N 2 1 363.521 3.131 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000414521350 499802664 /nfs/dbraw/zinc/80/26/64/499802664.db2.gz BPINCMFADBFLJM-GOQZIQLPSA-N 2 1 351.494 3.222 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C/C=C/c1ccncc1 ZINC000414521350 499802666 /nfs/dbraw/zinc/80/26/66/499802666.db2.gz BPINCMFADBFLJM-GOQZIQLPSA-N 2 1 351.494 3.222 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)s1 ZINC000414736593 499824820 /nfs/dbraw/zinc/82/48/20/499824820.db2.gz MXZBCIXNAQOXRP-INIZCTEOSA-N 2 1 350.919 3.005 20 0 FGADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000414776605 499829656 /nfs/dbraw/zinc/82/96/56/499829656.db2.gz NJZNKIJFPRAGDC-UHFFFAOYSA-N 2 1 356.466 3.204 20 0 FGADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)cc(OC)c1OCc1ccccc1 ZINC000414776605 499829658 /nfs/dbraw/zinc/82/96/58/499829658.db2.gz NJZNKIJFPRAGDC-UHFFFAOYSA-N 2 1 356.466 3.204 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNC[C@H]([NH3+])c2ccccc2)CC1 ZINC000414828873 499835007 /nfs/dbraw/zinc/83/50/07/499835007.db2.gz JRCQKLFYUHHBLL-NRFANRHFSA-N 2 1 352.526 3.008 20 0 FGADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875266 499840145 /nfs/dbraw/zinc/84/01/45/499840145.db2.gz IXYCQYUEMKHCGO-OAHLLOKOSA-N 2 1 360.889 3.222 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414948651 499847974 /nfs/dbraw/zinc/84/79/74/499847974.db2.gz MMTSCOYNSBVGAE-WCQYABFASA-N 2 1 357.292 3.087 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414951606 499848367 /nfs/dbraw/zinc/84/83/67/499848367.db2.gz HRFHBHDPVHGDIY-SJKOYZFVSA-N 2 1 363.303 3.031 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000412382240 499850375 /nfs/dbraw/zinc/85/03/75/499850375.db2.gz CGXWKQBWQPHVSF-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382240 499850377 /nfs/dbraw/zinc/85/03/77/499850377.db2.gz CGXWKQBWQPHVSF-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000412382240 499850378 /nfs/dbraw/zinc/85/03/78/499850378.db2.gz CGXWKQBWQPHVSF-PZJWPPBQSA-N 2 1 357.542 3.231 20 0 FGADMP COc1ccc2ccccc2c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415048303 499857986 /nfs/dbraw/zinc/85/79/86/499857986.db2.gz GCJWCXHWXREYBY-UHFFFAOYSA-N 2 1 353.510 3.154 20 0 FGADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)CC3 ZINC000415050562 499858299 /nfs/dbraw/zinc/85/82/99/499858299.db2.gz ILGLZWFAFNHOLG-JLAWEPINSA-N 2 1 366.553 3.140 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OCc1ccncc1 ZINC000415053395 499858851 /nfs/dbraw/zinc/85/88/51/499858851.db2.gz JSHCMLYPBHTQSY-IIBYNOLFSA-N 2 1 355.482 3.086 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000415073459 499860884 /nfs/dbraw/zinc/86/08/84/499860884.db2.gz ZGHOUOAUNMKEET-QGZVFWFLSA-N 2 1 358.555 3.262 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104520 499864003 /nfs/dbraw/zinc/86/40/03/499864003.db2.gz HAZHHMKHAPFCGT-OIHWHRODSA-N 2 1 352.478 3.328 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccc(OCc3ccccc3)cc2)CCCO1 ZINC000415104520 499864005 /nfs/dbraw/zinc/86/40/05/499864005.db2.gz HAZHHMKHAPFCGT-OIHWHRODSA-N 2 1 352.478 3.328 20 0 FGADMP CSc1ccccc1OC[C@H](O)C[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C(C)C ZINC000415120662 499866296 /nfs/dbraw/zinc/86/62/96/499866296.db2.gz JAHDTTDRGKTEMG-KZNAEPCWSA-N 2 1 366.571 3.247 20 0 FGADMP C[C@@H]([NH2+]C1(CNc2cc(NC3CC3)[nH+]cn2)CCOCC1)c1ccccc1 ZINC000413141430 499918769 /nfs/dbraw/zinc/91/87/69/499918769.db2.gz MOLPHHHWFYQLHU-MRXNPFEDSA-N 2 1 367.497 3.363 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000415881243 499923934 /nfs/dbraw/zinc/92/39/34/499923934.db2.gz HXGUKQMJHRUFPV-UHFFFAOYSA-N 2 1 352.482 3.106 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000415935995 499930546 /nfs/dbraw/zinc/93/05/46/499930546.db2.gz UTIPISIIULLJFF-UZLBHIALSA-N 2 1 352.482 3.048 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)C1 ZINC000415938285 499930724 /nfs/dbraw/zinc/93/07/24/499930724.db2.gz OQLJRKVBSMDWLT-INIZCTEOSA-N 2 1 362.518 3.046 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000415954619 499932906 /nfs/dbraw/zinc/93/29/06/499932906.db2.gz KXFLEDOOJAOKHK-LRDDRELGSA-N 2 1 372.435 3.358 20 0 FGADMP C[N@@H+](CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2)Cc1ccccc1 ZINC000415961906 499933840 /nfs/dbraw/zinc/93/38/40/499933840.db2.gz SERPVZJGDPBASV-UHFFFAOYSA-N 2 1 370.472 3.115 20 0 FGADMP C[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+](Cc2ccccc2)C1 ZINC000415985020 499937504 /nfs/dbraw/zinc/93/75/04/499937504.db2.gz AGQMJVIEJSRCRR-QGZVFWFLSA-N 2 1 364.493 3.276 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417034562 499953303 /nfs/dbraw/zinc/95/33/03/499953303.db2.gz GAPRMTORGGUFEI-KSZLIROESA-N 2 1 360.546 3.264 20 0 FGADMP CC(C)CN(C(=O)CC[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000416160002 499963810 /nfs/dbraw/zinc/96/38/10/499963810.db2.gz NPPZUWPRDLSUOC-UHFFFAOYSA-N 2 1 357.542 3.014 20 0 FGADMP OCC1([NH2+]CC2CC2)CC[NH+](CCn2ccc3cc(Cl)ccc32)CC1 ZINC000582244534 506167752 /nfs/dbraw/zinc/16/77/52/506167752.db2.gz DXOHOQVFXBCCOF-UHFFFAOYSA-N 2 1 361.917 3.121 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCCC3)c2)[C@H](C)C1 ZINC000413507866 499975059 /nfs/dbraw/zinc/97/50/59/499975059.db2.gz TWDPOZCQOCBSRY-WIYYLYMNSA-N 2 1 357.542 3.475 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+](C)Cc1ccccc1 ZINC000429092368 500001846 /nfs/dbraw/zinc/00/18/46/500001846.db2.gz KDOLNGCUAJJELT-NQIIRXRSSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@H+](C)Cc1ccccc1 ZINC000429092368 500001852 /nfs/dbraw/zinc/00/18/52/500001852.db2.gz KDOLNGCUAJJELT-NQIIRXRSSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H](CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000429092368 500001855 /nfs/dbraw/zinc/00/18/55/500001855.db2.gz KDOLNGCUAJJELT-NQIIRXRSSA-N 2 1 372.557 3.213 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)NCC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000417225109 500010006 /nfs/dbraw/zinc/01/00/06/500010006.db2.gz RYHXBAYPQWSWGB-GOSISDBHSA-N 2 1 372.557 3.250 20 0 FGADMP O=C1CCCN1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000573339639 506174875 /nfs/dbraw/zinc/17/48/75/506174875.db2.gz RLLWQLKGXOKHSX-LEWJYISDSA-N 2 1 355.526 3.174 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425418420 500099004 /nfs/dbraw/zinc/09/90/04/500099004.db2.gz INKZPAWQTIGIAO-IBGZPJMESA-N 2 1 354.498 3.076 20 0 FGADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000417591622 500119756 /nfs/dbraw/zinc/11/97/56/500119756.db2.gz XGVBNHDFHPZDIG-UDEWTMQYSA-N 2 1 370.541 3.013 20 0 FGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000414066183 500143676 /nfs/dbraw/zinc/14/36/76/500143676.db2.gz HTIIQROURVQDST-ZNMIVQPWSA-N 2 1 353.532 3.338 20 0 FGADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000414066183 500143679 /nfs/dbraw/zinc/14/36/79/500143679.db2.gz HTIIQROURVQDST-ZNMIVQPWSA-N 2 1 353.532 3.338 20 0 FGADMP CON1CCC([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000421869848 500166978 /nfs/dbraw/zinc/16/69/78/500166978.db2.gz DRWMGXBKPMXVNK-ILWGZMRPSA-N 2 1 357.542 3.293 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000416967765 500168752 /nfs/dbraw/zinc/16/87/52/500168752.db2.gz HNEKQGQODHDVFC-KRWDZBQOSA-N 2 1 360.546 3.045 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000416970821 500170704 /nfs/dbraw/zinc/17/07/04/500170704.db2.gz OGGJVWWDLSPCQL-LJQANCHMSA-N 2 1 360.546 3.104 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000416971576 500171024 /nfs/dbraw/zinc/17/10/24/500171024.db2.gz PVYVMTRAENYAPB-MSOLQXFVSA-N 2 1 360.546 3.235 20 0 FGADMP C[C@H]1[C@H](C)[N@@H+](C)CCN1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000425668943 500175323 /nfs/dbraw/zinc/17/53/23/500175323.db2.gz BEFPOUCEICCDSE-HOTGVXAUSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@H]1[C@H](C)N(C(=O)Nc2ccccc2-c2ncc3n2CCCC3)CCN1C ZINC000425668943 500175324 /nfs/dbraw/zinc/17/53/24/500175324.db2.gz BEFPOUCEICCDSE-HOTGVXAUSA-N 2 1 367.497 3.443 20 0 FGADMP C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000417827166 500179974 /nfs/dbraw/zinc/17/99/74/500179974.db2.gz CWIYCZHVDJVQBV-HKUYNNGSSA-N 2 1 358.530 3.000 20 0 FGADMP C[N@@H+](CCCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1)C1CCCCC1 ZINC000417005149 500182449 /nfs/dbraw/zinc/18/24/49/500182449.db2.gz DHCKBKOBNLKGKZ-FQEVSTJZSA-N 2 1 360.546 3.420 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000573369244 506180997 /nfs/dbraw/zinc/18/09/97/506180997.db2.gz ADDVDBDAVQXSCV-FXAWDEMLSA-N 2 1 357.542 3.071 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000417859540 500185770 /nfs/dbraw/zinc/18/57/70/500185770.db2.gz SBLGMVDUCKLECO-RVKKMQEKSA-N 2 1 355.486 3.011 20 0 FGADMP COc1ccccc1-c1ncc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000430055397 500186795 /nfs/dbraw/zinc/18/67/95/500186795.db2.gz CPNUJAOBKLBMNK-UHFFFAOYSA-N 2 1 352.482 3.212 20 0 FGADMP [NH2+]=C1Nc2nc3ccccc3n2[C@]2(CC[N@@H+](Cc3ccccc3)C3(CC3)C2)N1 ZINC000582301384 506181237 /nfs/dbraw/zinc/18/12/37/506181237.db2.gz DFIQYPYEIVPSMR-QFIPXVFZSA-N 2 1 372.476 3.468 20 0 FGADMP COc1ccccc1-c1ncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000430077113 500188980 /nfs/dbraw/zinc/18/89/80/500188980.db2.gz GKADUIZYQDBKQZ-LJQANCHMSA-N 2 1 366.509 3.316 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000417883863 500191581 /nfs/dbraw/zinc/19/15/81/500191581.db2.gz STEXLHYGXSXPNC-FQEVSTJZSA-N 2 1 360.546 3.107 20 0 FGADMP CCN1CCC([N@H+]2CCCN(C(=O)c3cc(C)c(F)c(C)c3)CC2)CC1 ZINC000422014150 500198001 /nfs/dbraw/zinc/19/80/01/500198001.db2.gz GGCXTXXTOALRKR-UHFFFAOYSA-N 2 1 361.505 3.075 20 0 FGADMP CN(C)C(=O)c1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418024157 500216055 /nfs/dbraw/zinc/21/60/55/500216055.db2.gz DBAIYYOWLBFPTG-IBGZPJMESA-N 2 1 351.494 3.000 20 0 FGADMP C[N@H+](CCCOc1ccc(F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425963595 500217495 /nfs/dbraw/zinc/21/74/95/500217495.db2.gz AXTWJMHDWOQSAJ-JOCHJYFZSA-N 2 1 372.484 3.163 20 0 FGADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425963595 500217498 /nfs/dbraw/zinc/21/74/98/500217498.db2.gz AXTWJMHDWOQSAJ-JOCHJYFZSA-N 2 1 372.484 3.163 20 0 FGADMP C[NH+](CCCOc1ccc(F)cc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425963595 500217501 /nfs/dbraw/zinc/21/75/01/500217501.db2.gz AXTWJMHDWOQSAJ-JOCHJYFZSA-N 2 1 372.484 3.163 20 0 FGADMP C[NH+](CCCOc1ccc(F)cc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425963595 500217504 /nfs/dbraw/zinc/21/75/04/500217504.db2.gz AXTWJMHDWOQSAJ-JOCHJYFZSA-N 2 1 372.484 3.163 20 0 FGADMP CCCN(C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C1CC[NH2+]CC1 ZINC000418043069 500219458 /nfs/dbraw/zinc/21/94/58/500219458.db2.gz YJEUIXYKCRVSQF-OAQYLSRUSA-N 2 1 374.573 3.317 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000418148688 500237435 /nfs/dbraw/zinc/23/74/35/500237435.db2.gz ACQUOAWRGBBRAP-YSIASYRMSA-N 2 1 372.557 3.198 20 0 FGADMP C[C@H]([NH3+])C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150120 500237750 /nfs/dbraw/zinc/23/77/50/500237750.db2.gz CDXKXLLXAUJZOS-PXNSSMCTSA-N 2 1 372.557 3.056 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Cl)cc1 ZINC000418175462 500242636 /nfs/dbraw/zinc/24/26/36/500242636.db2.gz FWXHRCWCAMTOOZ-YJBOKZPZSA-N 2 1 366.937 3.022 20 0 FGADMP Cc1cc(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)cc(N2CCCC2)[nH+]1 ZINC000418193995 500247469 /nfs/dbraw/zinc/24/74/69/500247469.db2.gz DCANVTSDTYVUOU-INIZCTEOSA-N 2 1 367.497 3.009 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430547186 500252556 /nfs/dbraw/zinc/25/25/56/500252556.db2.gz UIFRJQYUISZNPV-QGZVFWFLSA-N 2 1 353.510 3.197 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430547186 500252558 /nfs/dbraw/zinc/25/25/58/500252558.db2.gz UIFRJQYUISZNPV-QGZVFWFLSA-N 2 1 353.510 3.197 20 0 FGADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430562722 500254666 /nfs/dbraw/zinc/25/46/66/500254666.db2.gz SFRRYAJVTZVVAK-KRWDZBQOSA-N 2 1 361.530 3.275 20 0 FGADMP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000418251862 500255882 /nfs/dbraw/zinc/25/58/82/500255882.db2.gz XFTJMLSTQASHPM-LJQANCHMSA-N 2 1 360.546 3.056 20 0 FGADMP CCCN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418308494 500260534 /nfs/dbraw/zinc/26/05/34/500260534.db2.gz BTNCTBOGGKXYQN-SFTDATJTSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418311194 500260753 /nfs/dbraw/zinc/26/07/53/500260753.db2.gz LMRCANDHKNZKRF-FMWKFLBASA-N 2 1 372.557 3.069 20 0 FGADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC000430599819 500261048 /nfs/dbraw/zinc/26/10/48/500261048.db2.gz GKOSCCZNODEAKT-UHFFFAOYSA-N 2 1 355.507 3.447 20 0 FGADMP C[C@H](NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000418340396 500264751 /nfs/dbraw/zinc/26/47/51/500264751.db2.gz LHGXVSJSUHVAIU-CMKODMSKSA-N 2 1 364.578 3.061 20 0 FGADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OCc1ccncc1 ZINC000422562039 500274585 /nfs/dbraw/zinc/27/45/85/500274585.db2.gz PBFILSZGJCCQDB-ZWOKBUDYSA-N 2 1 369.509 3.474 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640706 500285460 /nfs/dbraw/zinc/28/54/60/500285460.db2.gz VVVPNGQWUXXJDM-MCIONIFRSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422734019 500291270 /nfs/dbraw/zinc/29/12/70/500291270.db2.gz BZALKJQPVDROFO-GHTZIAJQSA-N 2 1 359.558 3.044 20 0 FGADMP COc1ccc([C@H](NCC[N@@H+](C)Cc2ccccc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422769126 500296074 /nfs/dbraw/zinc/29/60/74/500296074.db2.gz UMOXGNDWYMCAFS-VXKWHMMOSA-N 2 1 353.510 3.210 20 0 FGADMP c1cc(C[NH+]2CCCCCC2)ccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422779897 500296411 /nfs/dbraw/zinc/29/64/11/500296411.db2.gz JOTRDXPKMYSCIS-DNVJHFABSA-N 2 1 371.569 3.309 20 0 FGADMP CCCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418612766 500296708 /nfs/dbraw/zinc/29/67/08/500296708.db2.gz VYJGGFNEHVTSCS-NRSPTQNISA-N 2 1 372.557 3.213 20 0 FGADMP CC1CC[NH+](Cc2ccc(CN[C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000422802662 500299655 /nfs/dbraw/zinc/29/96/55/500299655.db2.gz HTNKYUIAFHQWSD-YTFSRNRJSA-N 2 1 371.569 3.165 20 0 FGADMP Cc1ccc([C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422799673 500299891 /nfs/dbraw/zinc/29/98/91/500299891.db2.gz XZMBUBZDLFOEPL-FTRWYGJKSA-N 2 1 360.523 3.203 20 0 FGADMP CC[C@H](NCCCC[NH+]1CCN(c2cccc(C)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422813079 500301347 /nfs/dbraw/zinc/30/13/47/500301347.db2.gz RKEHXHIXELDXSN-VXKWHMMOSA-N 2 1 358.574 3.017 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)Oc1ccccc1Br ZINC000422833965 500303125 /nfs/dbraw/zinc/30/31/25/500303125.db2.gz HFPXUVMWGHBCQR-VXGBXAGGSA-N 2 1 350.260 3.375 20 0 FGADMP C(N[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C1([NH+]2CCSCC2)CCCC1 ZINC000422853913 500305745 /nfs/dbraw/zinc/30/57/45/500305745.db2.gz ZLJAAJVEMZXKAV-GUDVDZBRSA-N 2 1 351.604 3.248 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000422884057 500310156 /nfs/dbraw/zinc/31/01/56/500310156.db2.gz RNHZPLHZZFXWIG-NHCUHLMSSA-N 2 1 367.493 3.454 20 0 FGADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000430948797 500312670 /nfs/dbraw/zinc/31/26/70/500312670.db2.gz LODUOPAGLKPVRS-UHFFFAOYSA-N 2 1 363.811 3.229 20 0 FGADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422900381 500313132 /nfs/dbraw/zinc/31/31/32/500313132.db2.gz QGKUNDKBHGMTIX-DLPLYFIVSA-N 2 1 365.477 3.139 20 0 FGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431020962 500324678 /nfs/dbraw/zinc/32/46/78/500324678.db2.gz GFSYQUYXBHKUMB-AWEZNQCLSA-N 2 1 360.889 3.450 20 0 FGADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc(OC2CCCCC2)n1 ZINC000422971154 500325173 /nfs/dbraw/zinc/32/51/73/500325173.db2.gz IACVTYHDAVOZQI-XUVXKRRUSA-N 2 1 359.514 3.040 20 0 FGADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1C(F)(F)F)c1c[nH+]ccc1N ZINC000422988643 500327817 /nfs/dbraw/zinc/32/78/17/500327817.db2.gz JPDOUFZPWSATSD-STQMWFEESA-N 2 1 353.388 3.015 20 0 FGADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025135 500332559 /nfs/dbraw/zinc/33/25/59/500332559.db2.gz KTJMEJQFMIKPSM-AAIMPIBUSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423025135 500332560 /nfs/dbraw/zinc/33/25/60/500332560.db2.gz KTJMEJQFMIKPSM-AAIMPIBUSA-N 2 1 365.521 3.352 20 0 FGADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(Br)ccc1Br ZINC000423054455 500336307 /nfs/dbraw/zinc/33/63/07/500336307.db2.gz UOXXWRVJUYEIRJ-RKDXNWHRSA-N 2 1 350.098 3.427 20 0 FGADMP CCC[N@H+](C)[C@H](CN[C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097350 500341568 /nfs/dbraw/zinc/34/15/68/500341568.db2.gz AOLLFIWUPTWLKR-ZYSHUDEJSA-N 2 1 353.938 3.080 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H](C)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097350 500341571 /nfs/dbraw/zinc/34/15/71/500341571.db2.gz AOLLFIWUPTWLKR-ZYSHUDEJSA-N 2 1 353.938 3.080 20 0 FGADMP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CC1(c2ccc(Br)s2)CCC1 ZINC000423103150 500342347 /nfs/dbraw/zinc/34/23/47/500342347.db2.gz KSPSRXKVHLSBRA-OLZOCXBDSA-N 2 1 373.360 3.289 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000423157456 500349107 /nfs/dbraw/zinc/34/91/07/500349107.db2.gz VCQDCSUVGWJOHY-AWEZNQCLSA-N 2 1 359.470 3.193 20 0 FGADMP CCCOc1c(OC)cc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000423157457 500349704 /nfs/dbraw/zinc/34/97/04/500349704.db2.gz VCQDCSUVGWJOHY-CQSZACIVSA-N 2 1 359.470 3.193 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187787 500353047 /nfs/dbraw/zinc/35/30/47/500353047.db2.gz MTMMUADAGLRAJO-SIKLNZKXSA-N 2 1 352.526 3.062 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000423360355 500367773 /nfs/dbraw/zinc/36/77/73/500367773.db2.gz LHJOPGKPCXBYEB-FXAWDEMLSA-N 2 1 351.494 3.014 20 0 FGADMP c1ccc(-c2noc([C@@]34CCC[C@@H]3C[N@H+](CCC3CC[NH2+]CC3)C4)n2)cc1 ZINC000576584422 506192226 /nfs/dbraw/zinc/19/22/26/506192226.db2.gz FXYSSRSMSORLRG-DENIHFKCSA-N 2 1 366.509 3.480 20 0 FGADMP CC1(C)C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000423493259 500378630 /nfs/dbraw/zinc/37/86/30/500378630.db2.gz PTYYDRXQPBQFDB-CZUORRHYSA-N 2 1 353.304 3.140 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1OC ZINC000423536664 500383817 /nfs/dbraw/zinc/38/38/17/500383817.db2.gz ZWBXMENRAULKAC-RYGJVYDSSA-N 2 1 354.494 3.288 20 0 FGADMP COc1cccc([C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558252 500391705 /nfs/dbraw/zinc/39/17/05/500391705.db2.gz RKAXBOZSVONRCM-SFTDATJTSA-N 2 1 373.541 3.211 20 0 FGADMP COc1cccc([C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)[NH+](C)C)c1 ZINC000431558250 500391909 /nfs/dbraw/zinc/39/19/09/500391909.db2.gz RKAXBOZSVONRCM-NHCUHLMSSA-N 2 1 373.541 3.211 20 0 FGADMP O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000423707560 500395670 /nfs/dbraw/zinc/39/56/70/500395670.db2.gz SXAIYTSYAISJME-QZTJIDSGSA-N 2 1 358.530 3.142 20 0 FGADMP Cc1ccc([C@H](N)C(=O)N2CCN([C@@H](C)c3cccc(F)c3)CC2)cc1 ZINC000423742907 500398106 /nfs/dbraw/zinc/39/81/06/500398106.db2.gz LSDQAMJPLUWPSX-JXFKEZNVSA-N 2 1 355.457 3.039 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC000431652192 500403835 /nfs/dbraw/zinc/40/38/35/500403835.db2.gz ASJXQRMDKKTTNW-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1Cl ZINC000431652192 500403838 /nfs/dbraw/zinc/40/38/38/500403838.db2.gz ASJXQRMDKKTTNW-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2[NH2+]CCCC2(C)C)cc1Br ZINC000423813665 500404973 /nfs/dbraw/zinc/40/49/73/500404973.db2.gz SEALQGFBVKDVBT-OAHLLOKOSA-N 2 1 368.319 3.227 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](CCCc2ccccc2)CC1 ZINC000431776570 500423331 /nfs/dbraw/zinc/42/33/31/500423331.db2.gz QZZALDXAVBXIMT-QFIPXVFZSA-N 2 1 371.569 3.418 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000431776570 500423335 /nfs/dbraw/zinc/42/33/35/500423335.db2.gz QZZALDXAVBXIMT-QFIPXVFZSA-N 2 1 371.569 3.418 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000431776570 500423339 /nfs/dbraw/zinc/42/33/39/500423339.db2.gz QZZALDXAVBXIMT-QFIPXVFZSA-N 2 1 371.569 3.418 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000431779984 500423881 /nfs/dbraw/zinc/42/38/81/500423881.db2.gz WBRLTKGGCGIANK-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000431779984 500423883 /nfs/dbraw/zinc/42/38/83/500423883.db2.gz WBRLTKGGCGIANK-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000431779984 500423887 /nfs/dbraw/zinc/42/38/87/500423887.db2.gz WBRLTKGGCGIANK-ZWKOTPCHSA-N 2 1 363.571 3.341 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000431782769 500424482 /nfs/dbraw/zinc/42/44/82/500424482.db2.gz FNQKMHSAIUCVLB-GOSISDBHSA-N 2 1 363.571 3.341 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845271 500433429 /nfs/dbraw/zinc/43/34/29/500433429.db2.gz NSWJGPIARHQCKU-HMXCVIKNSA-N 2 1 355.526 3.155 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000431862020 500435603 /nfs/dbraw/zinc/43/56/03/500435603.db2.gz WQJMWMCVOYOYGJ-KSZLIROESA-N 2 1 364.534 3.082 20 0 FGADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420297882 500435965 /nfs/dbraw/zinc/43/59/65/500435965.db2.gz DTHKXXYTMPSQRA-BLLLJJGKSA-N 2 1 356.297 3.396 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1 ZINC000420297889 500436352 /nfs/dbraw/zinc/43/63/52/500436352.db2.gz DUCKEQGCTSGLCD-AZUAARDMSA-N 2 1 368.477 3.346 20 0 FGADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420330695 500442575 /nfs/dbraw/zinc/44/25/75/500442575.db2.gz BEMFHGNDUXRMJF-QRQLOZEOSA-N 2 1 351.494 3.488 20 0 FGADMP Cn1c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nnc1-c1ccc(Cl)cc1 ZINC000420330837 500442599 /nfs/dbraw/zinc/44/25/99/500442599.db2.gz CLEXEFWXIVEHKQ-KRWDZBQOSA-N 2 1 359.905 3.100 20 0 FGADMP C[C@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344437 500445709 /nfs/dbraw/zinc/44/57/09/500445709.db2.gz SXPVTJPAZCAWTO-RDBSUJKOSA-N 2 1 353.869 3.128 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369695 500449058 /nfs/dbraw/zinc/44/90/58/500449058.db2.gz BYYTZJORPQONHM-SMDDNHRTSA-N 2 1 354.285 3.442 20 0 FGADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420369695 500449059 /nfs/dbraw/zinc/44/90/59/500449059.db2.gz BYYTZJORPQONHM-SMDDNHRTSA-N 2 1 354.285 3.442 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427954757 500450178 /nfs/dbraw/zinc/45/01/78/500450178.db2.gz JMTJRVGBANUVMJ-BBWFWOEESA-N 2 1 355.885 3.102 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000427954757 500450182 /nfs/dbraw/zinc/45/01/82/500450182.db2.gz JMTJRVGBANUVMJ-BBWFWOEESA-N 2 1 355.885 3.102 20 0 FGADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)N[C@@H]1CCCc2ccccc21 ZINC000420379919 500451851 /nfs/dbraw/zinc/45/18/51/500451851.db2.gz BOKVQWIGHCLFSO-HMXCVIKNSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388701 500453364 /nfs/dbraw/zinc/45/33/64/500453364.db2.gz XIGGMZZGPWHWLG-IUODEOHRSA-N 2 1 369.391 3.034 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420398649 500455472 /nfs/dbraw/zinc/45/54/72/500455472.db2.gz HCPRIUDGNNNEQI-DSKINZAPSA-N 2 1 373.541 3.056 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420398649 500455473 /nfs/dbraw/zinc/45/54/73/500455473.db2.gz HCPRIUDGNNNEQI-DSKINZAPSA-N 2 1 373.541 3.056 20 0 FGADMP Cn1cc[nH+]c1CC1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424173643 500463359 /nfs/dbraw/zinc/46/33/59/500463359.db2.gz LOCCJMKNTDRGQD-IBGZPJMESA-N 2 1 360.546 3.279 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCC1(c3ccccc3)CCCC1)CC[NH2+]CC2 ZINC000424283801 500481327 /nfs/dbraw/zinc/48/13/27/500481327.db2.gz CEKQVBOKVGCPSL-IBGZPJMESA-N 2 1 369.553 3.079 20 0 FGADMP Cc1cc(C(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)n1CC(F)(F)F ZINC000424301542 500483321 /nfs/dbraw/zinc/48/33/21/500483321.db2.gz XOUVEIVKUXVOBF-CQSZACIVSA-N 2 1 371.447 3.314 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000424320881 500486387 /nfs/dbraw/zinc/48/63/87/500486387.db2.gz TVTNCISQTXIVHY-OALUTQOASA-N 2 1 359.539 3.253 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424328829 500487768 /nfs/dbraw/zinc/48/77/68/500487768.db2.gz FWNRPKBEPMXLKH-LLFXUEIYSA-N 2 1 372.553 3.317 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1C[C@@H]2C[C@H](OC)C[C@@H]2C1 ZINC000424328829 500487770 /nfs/dbraw/zinc/48/77/70/500487770.db2.gz FWNRPKBEPMXLKH-LLFXUEIYSA-N 2 1 372.553 3.317 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)c1 ZINC000424422697 500501668 /nfs/dbraw/zinc/50/16/68/500501668.db2.gz FFJGLXXZAYGMNI-UHFFFAOYSA-N 2 1 354.454 3.232 20 0 FGADMP CCOc1cccc(CNCCC[N@H+]2CCCO[C@H](C)C2)c1OC(F)F ZINC000432370509 500506170 /nfs/dbraw/zinc/50/61/70/500506170.db2.gz UZDUYFXZQWVSHG-OAHLLOKOSA-N 2 1 372.456 3.277 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424451758 500507668 /nfs/dbraw/zinc/50/76/68/500507668.db2.gz FOCKATWEXBZOTI-PWIZWCRZSA-N 2 1 358.530 3.130 20 0 FGADMP C[N@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435593 500510221 /nfs/dbraw/zinc/51/02/21/500510221.db2.gz ZVVAGXUMEXQDIC-RJGXRXQPSA-N 2 1 350.506 3.359 20 0 FGADMP C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428435593 500510224 /nfs/dbraw/zinc/51/02/24/500510224.db2.gz ZVVAGXUMEXQDIC-RJGXRXQPSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428435593 500510228 /nfs/dbraw/zinc/51/02/28/500510228.db2.gz ZVVAGXUMEXQDIC-RJGXRXQPSA-N 2 1 350.506 3.359 20 0 FGADMP C[NH+](C[C@@H]1C[C@H]1c1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428435593 500510229 /nfs/dbraw/zinc/51/02/29/500510229.db2.gz ZVVAGXUMEXQDIC-RJGXRXQPSA-N 2 1 350.506 3.359 20 0 FGADMP Cc1c([C@@H](C)NCCC[N@H+]2CCCO[C@@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412781 500512828 /nfs/dbraw/zinc/51/28/28/500512828.db2.gz CVDFCUQXRMGURR-ZWKOTPCHSA-N 2 1 371.529 3.036 20 0 FGADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413142 500512978 /nfs/dbraw/zinc/51/29/78/500512978.db2.gz KOAYSSUSAVPJPX-HLAWJBBLSA-N 2 1 360.542 3.461 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2C[C@@H](OCc3ccccc3)C2(C)C)CCCO1 ZINC000432413142 500512980 /nfs/dbraw/zinc/51/29/80/500512980.db2.gz KOAYSSUSAVPJPX-HLAWJBBLSA-N 2 1 360.542 3.461 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCO[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000420984867 500547976 /nfs/dbraw/zinc/54/79/76/500547976.db2.gz UYUZTEGFIMYTRS-CTNGQTDRSA-N 2 1 351.579 3.074 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CCC[C@H](F)C1 ZINC000424716190 500549237 /nfs/dbraw/zinc/54/92/37/500549237.db2.gz VEOGMVVQVYZROV-MOPGFXCFSA-N 2 1 367.553 3.169 20 0 FGADMP CCn1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1=O ZINC000433082228 500622971 /nfs/dbraw/zinc/62/29/71/500622971.db2.gz JJZACOXGKIRLAF-WKCHPHFGSA-N 2 1 351.494 3.153 20 0 FGADMP CCn1cccc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1=O ZINC000433082228 500622974 /nfs/dbraw/zinc/62/29/74/500622974.db2.gz JJZACOXGKIRLAF-WKCHPHFGSA-N 2 1 351.494 3.153 20 0 FGADMP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442869572 500637291 /nfs/dbraw/zinc/63/72/91/500637291.db2.gz DQUCUUDFGYMZJT-INIZCTEOSA-N 2 1 369.500 3.225 20 0 FGADMP C[C@H](C(=O)N1CCC(c2ncc3n2CCCC3)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000447673237 500642879 /nfs/dbraw/zinc/64/28/79/500642879.db2.gz SNKZYSXDEAOJBQ-IXDOHACOSA-N 2 1 358.530 3.187 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccncc2)C1 ZINC000442925109 500647279 /nfs/dbraw/zinc/64/72/79/500647279.db2.gz UGUGNMCLQPGNQX-SFHVURJKSA-N 2 1 361.493 3.495 20 0 FGADMP C[NH+](C)[C@H]1CCOc2c(NC(=O)[C@@H]3CCC[N@H+]3C3CCCC3)cccc21 ZINC000447724781 500653706 /nfs/dbraw/zinc/65/37/06/500653706.db2.gz YHJFCIGMXAAOTC-OALUTQOASA-N 2 1 357.498 3.417 20 0 FGADMP C[NH+](C)CC1CCN(C(=O)[C@@]23CCC[C@@H]2C[N@@H+](Cc2ccccc2)C3)CC1 ZINC000442960614 500654233 /nfs/dbraw/zinc/65/42/33/500654233.db2.gz CLPYCNYRFUXLCN-FYYLOGMGSA-N 2 1 369.553 3.089 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000443067394 500673663 /nfs/dbraw/zinc/67/36/63/500673663.db2.gz GLWAYFCNDRMNEC-NSHDSACASA-N 2 1 363.811 3.358 20 0 FGADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)c1Br ZINC000447934965 500692803 /nfs/dbraw/zinc/69/28/03/500692803.db2.gz CPMQPABVPBJYED-CYBMUJFWSA-N 2 1 357.340 3.093 20 0 FGADMP CC(C)N1CCC[C@H]([N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)C1=O ZINC000447947778 500694162 /nfs/dbraw/zinc/69/41/62/500694162.db2.gz IBZMJFXGTJLDCQ-ROUUACIJSA-N 2 1 361.555 3.092 20 0 FGADMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000433558086 500711708 /nfs/dbraw/zinc/71/17/08/500711708.db2.gz AKLYERWYNGFWCM-NRFANRHFSA-N 2 1 370.541 3.099 20 0 FGADMP CN(Cc1cc2c(cccc2F)[nH]1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000437966539 500722602 /nfs/dbraw/zinc/72/26/02/500722602.db2.gz WOMKCYGEURFOLR-JOCHJYFZSA-N 2 1 367.468 3.376 20 0 FGADMP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)C1 ZINC000443636331 500748074 /nfs/dbraw/zinc/74/80/74/500748074.db2.gz AYQCVKKONGTELB-OALUTQOASA-N 2 1 357.542 3.267 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468114 500762400 /nfs/dbraw/zinc/76/24/00/500762400.db2.gz UAMWYAGBCUVOAE-UKAVVXHISA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468114 500762401 /nfs/dbraw/zinc/76/24/01/500762401.db2.gz UAMWYAGBCUVOAE-UKAVVXHISA-N 2 1 372.557 3.194 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)[C@H](C)C1 ZINC000448468114 500762402 /nfs/dbraw/zinc/76/24/02/500762402.db2.gz UAMWYAGBCUVOAE-UKAVVXHISA-N 2 1 372.557 3.194 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000448519243 500767032 /nfs/dbraw/zinc/76/70/32/500767032.db2.gz CJECOLLCWWUJNZ-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000448519243 500767035 /nfs/dbraw/zinc/76/70/35/500767035.db2.gz CJECOLLCWWUJNZ-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000448519243 500767036 /nfs/dbraw/zinc/76/70/36/500767036.db2.gz CJECOLLCWWUJNZ-QRVBRYPASA-N 2 1 352.567 3.013 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421075 506218198 /nfs/dbraw/zinc/21/81/98/506218198.db2.gz VHKZFNHKZDJXAL-QZTJIDSGSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421075 506218200 /nfs/dbraw/zinc/21/82/00/506218200.db2.gz VHKZFNHKZDJXAL-QZTJIDSGSA-N 2 1 365.477 3.349 20 0 FGADMP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000607668398 506220247 /nfs/dbraw/zinc/22/02/47/506220247.db2.gz NLTIMDLWMCMNOQ-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000607668398 506220251 /nfs/dbraw/zinc/22/02/51/506220251.db2.gz NLTIMDLWMCMNOQ-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000607668398 506220254 /nfs/dbraw/zinc/22/02/54/506220254.db2.gz NLTIMDLWMCMNOQ-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000607668398 506220256 /nfs/dbraw/zinc/22/02/56/506220256.db2.gz NLTIMDLWMCMNOQ-NRFANRHFSA-N 2 1 369.509 3.402 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000439215971 500870590 /nfs/dbraw/zinc/87/05/90/500870590.db2.gz NUFWADJQUXYYQM-WLRLJWMZSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000439215971 500870592 /nfs/dbraw/zinc/87/05/92/500870592.db2.gz NUFWADJQUXYYQM-WLRLJWMZSA-N 2 1 370.541 3.090 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000439215971 500870593 /nfs/dbraw/zinc/87/05/93/500870593.db2.gz NUFWADJQUXYYQM-WLRLJWMZSA-N 2 1 370.541 3.090 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000439228611 500872317 /nfs/dbraw/zinc/87/23/17/500872317.db2.gz HPWDJQLFGLAKKB-MKXGPGLRSA-N 2 1 364.578 3.011 20 0 FGADMP C[C@H](C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)[N@@H+](C)Cc1ccccc1 ZINC000434696765 500880224 /nfs/dbraw/zinc/88/02/24/500880224.db2.gz HUAHRPNUTVFEOT-VGSWGCGISA-N 2 1 361.489 3.476 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439311834 500884252 /nfs/dbraw/zinc/88/42/52/500884252.db2.gz ZJPSJWMPKPAWKR-CALCHBBNSA-N 2 1 366.575 3.084 20 0 FGADMP CC[N@@H+](CCNC(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1)C(C)C ZINC000588181717 506222550 /nfs/dbraw/zinc/22/25/50/506222550.db2.gz ADVWVFUEUYULDO-HNNXBMFYSA-N 2 1 367.563 3.227 20 0 FGADMP C[C@]1(CCc2ccccc2)CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000434907445 500911044 /nfs/dbraw/zinc/91/10/44/500911044.db2.gz RRJAHLNXABIUMW-QHCPKHFHSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439844139 500945062 /nfs/dbraw/zinc/94/50/62/500945062.db2.gz SVMLKKMCQBYXKN-RBBKRZOGSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439844139 500945064 /nfs/dbraw/zinc/94/50/64/500945064.db2.gz SVMLKKMCQBYXKN-RBBKRZOGSA-N 2 1 369.553 3.074 20 0 FGADMP O=C(NC[C@@H]1CC[NH+](CCc2ccccc2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439844139 500945067 /nfs/dbraw/zinc/94/50/67/500945067.db2.gz SVMLKKMCQBYXKN-RBBKRZOGSA-N 2 1 369.553 3.074 20 0 FGADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435373915 500962226 /nfs/dbraw/zinc/96/22/26/500962226.db2.gz GPIUMUKSUQHVAQ-HNNXBMFYSA-N 2 1 352.404 3.323 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435388012 500965590 /nfs/dbraw/zinc/96/55/90/500965590.db2.gz DHVXYFUBVZGOSP-CQSZACIVSA-N 2 1 363.303 3.032 20 0 FGADMP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435436914 500977048 /nfs/dbraw/zinc/97/70/48/500977048.db2.gz IJDBPCSDVUTKJV-OAHLLOKOSA-N 2 1 352.404 3.465 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440168731 500983311 /nfs/dbraw/zinc/98/33/11/500983311.db2.gz KTSKKXOIMCHJQI-NRFANRHFSA-N 2 1 355.526 3.306 20 0 FGADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)Cc1cccc(F)c1 ZINC000449358182 500986276 /nfs/dbraw/zinc/98/62/76/500986276.db2.gz FEXKERUOXHJXRQ-JOCHJYFZSA-N 2 1 374.475 3.165 20 0 FGADMP FC(F)(F)COCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687773 501011882 /nfs/dbraw/zinc/01/18/82/501011882.db2.gz ISWBZYUTADZKEU-CYBMUJFWSA-N 2 1 363.449 3.056 20 0 FGADMP FC(F)(F)COCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435687773 501011885 /nfs/dbraw/zinc/01/18/85/501011885.db2.gz ISWBZYUTADZKEU-CYBMUJFWSA-N 2 1 363.449 3.056 20 0 FGADMP C[NH+](C)Cc1cnc(CNCC2([N@H+](C)Cc3ccccc3)CCC2)s1 ZINC000449480214 501013440 /nfs/dbraw/zinc/01/34/40/501013440.db2.gz XWEOBVQRVRUFFJ-UHFFFAOYSA-N 2 1 358.555 3.349 20 0 FGADMP C[NH+](C)Cc1cnc(CNCC2([N@@H+](C)Cc3ccccc3)CCC2)s1 ZINC000449480214 501013442 /nfs/dbraw/zinc/01/34/42/501013442.db2.gz XWEOBVQRVRUFFJ-UHFFFAOYSA-N 2 1 358.555 3.349 20 0 FGADMP O=C(C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NCc1ccccc1 ZINC000435692811 501013724 /nfs/dbraw/zinc/01/37/24/501013724.db2.gz KIWAXMQYCVNXJR-LJQANCHMSA-N 2 1 369.534 3.009 20 0 FGADMP O=C(C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2)NCc1ccccc1 ZINC000435692811 501013729 /nfs/dbraw/zinc/01/37/29/501013729.db2.gz KIWAXMQYCVNXJR-LJQANCHMSA-N 2 1 369.534 3.009 20 0 FGADMP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000449490149 501015537 /nfs/dbraw/zinc/01/55/37/501015537.db2.gz BPORTCUOVOFLLQ-RDJZCZTQSA-N 2 1 351.560 3.450 20 0 FGADMP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000449490149 501015538 /nfs/dbraw/zinc/01/55/38/501015538.db2.gz BPORTCUOVOFLLQ-RDJZCZTQSA-N 2 1 351.560 3.450 20 0 FGADMP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000449490147 501015559 /nfs/dbraw/zinc/01/55/59/501015559.db2.gz BPORTCUOVOFLLQ-DOTOQJQBSA-N 2 1 351.560 3.450 20 0 FGADMP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000449490147 501015560 /nfs/dbraw/zinc/01/55/60/501015560.db2.gz BPORTCUOVOFLLQ-DOTOQJQBSA-N 2 1 351.560 3.450 20 0 FGADMP C[NH+](Cc1ccc(C[N@H+](C)[C@H](CO)C(C)(C)C)cc1)[C@H](CO)C(C)(C)C ZINC000441064998 501082281 /nfs/dbraw/zinc/08/22/81/501082281.db2.gz IXPODNOKLGWNJW-WOJBJXKFSA-N 2 1 364.574 3.364 20 0 FGADMP CO[C@@H]1CCC[N@H+](Cc2ccc(F)c(C[NH+]3CCC[C@H](OC)C3)c2)C1 ZINC000450344234 501096798 /nfs/dbraw/zinc/09/67/98/501096798.db2.gz AVCAAEJWRBUYGF-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(F)c(C[NH+]3CCC[C@H](OC)C3)c2)C1 ZINC000450344234 501096799 /nfs/dbraw/zinc/09/67/99/501096799.db2.gz AVCAAEJWRBUYGF-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000450344234 501096802 /nfs/dbraw/zinc/09/68/02/501096802.db2.gz AVCAAEJWRBUYGF-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CO[C@@H]1CCC[NH+](Cc2ccc(F)c(C[N@H+]3CCC[C@H](OC)C3)c2)C1 ZINC000450344234 501096805 /nfs/dbraw/zinc/09/68/05/501096805.db2.gz AVCAAEJWRBUYGF-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP CCCOc1ccc(OCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441245640 501108542 /nfs/dbraw/zinc/10/85/42/501108542.db2.gz NFYKZYXOMSOPMJ-JRGCBEDISA-N 2 1 362.514 3.038 20 0 FGADMP CCCOc1ccc(OCC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441245640 501108543 /nfs/dbraw/zinc/10/85/43/501108543.db2.gz NFYKZYXOMSOPMJ-JRGCBEDISA-N 2 1 362.514 3.038 20 0 FGADMP C[C@@H]1COCC[NH+](Cc2cc(Cl)cc(C[N@H+]3CCOC[C@@H](C)C3)c2)C1 ZINC000450621336 501168435 /nfs/dbraw/zinc/16/84/35/501168435.db2.gz ZXBPZWRVCRFDRP-IRXDYDNUSA-N 2 1 366.933 3.277 20 0 FGADMP C[C@@H]1COCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCOC[C@@H](C)C3)c2)C1 ZINC000450621336 501168439 /nfs/dbraw/zinc/16/84/39/501168439.db2.gz ZXBPZWRVCRFDRP-IRXDYDNUSA-N 2 1 366.933 3.277 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967737 501187814 /nfs/dbraw/zinc/18/78/14/501187814.db2.gz UHCKDRINBAXXPC-QAPCUYQASA-N 2 1 357.523 3.375 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC000446967737 501187817 /nfs/dbraw/zinc/18/78/17/501187817.db2.gz UHCKDRINBAXXPC-QAPCUYQASA-N 2 1 357.523 3.375 20 0 FGADMP FC(F)C(F)(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000446973230 501188742 /nfs/dbraw/zinc/18/87/42/501188742.db2.gz BZXUSMQHHSOETH-YESZJQIVSA-N 2 1 374.422 3.404 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NCC2([N@H+](C)Cc3ccccc3)CCC2)n1 ZINC000450711178 501191230 /nfs/dbraw/zinc/19/12/30/501191230.db2.gz GYYJKCDQCGYWPD-UHFFFAOYSA-N 2 1 362.481 3.437 20 0 FGADMP Cc1[nH+]ccn1-c1cncc(NCC2([N@@H+](C)Cc3ccccc3)CCC2)n1 ZINC000450711178 501191232 /nfs/dbraw/zinc/19/12/32/501191232.db2.gz GYYJKCDQCGYWPD-UHFFFAOYSA-N 2 1 362.481 3.437 20 0 FGADMP O=C(NCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)c1ccco1 ZINC000453071962 501262917 /nfs/dbraw/zinc/26/29/17/501262917.db2.gz MVUYHVTVAFAWPZ-XUVXKRRUSA-N 2 1 367.493 3.042 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H](C)c2ccncn2)CC1 ZINC000453089390 501266388 /nfs/dbraw/zinc/26/63/88/501266388.db2.gz AZHXPBDBRFDUSE-JKSUJKDBSA-N 2 1 357.477 3.169 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)n4ccnc43)CC2)cs1 ZINC000453104784 501269708 /nfs/dbraw/zinc/26/97/08/501269708.db2.gz DMTABVTVNFCNKF-WMLDXEAASA-N 2 1 359.543 3.410 20 0 FGADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453102653 501269803 /nfs/dbraw/zinc/26/98/03/501269803.db2.gz YGHNIJOYGVXTMB-JTPDYBDNSA-N 2 1 369.553 3.467 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc(-c2ccccc2)nn1C ZINC000453116351 501272403 /nfs/dbraw/zinc/27/24/03/501272403.db2.gz WBDJJSSZHAZDFB-QZTJIDSGSA-N 2 1 368.525 3.239 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453117915 501272654 /nfs/dbraw/zinc/27/26/54/501272654.db2.gz ALWHFIOYQWMACG-QZTJIDSGSA-N 2 1 364.921 3.109 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](c1nccn1C)c1ccc(Cl)cc1 ZINC000453117917 501272790 /nfs/dbraw/zinc/27/27/90/501272790.db2.gz ALWHFIOYQWMACG-ROUUACIJSA-N 2 1 364.921 3.109 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCO[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453134699 501276238 /nfs/dbraw/zinc/27/62/38/501276238.db2.gz SMNGFVOBROFRTO-CLAROIROSA-N 2 1 358.526 3.215 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H](C)CCCc3cccnc3)CC2)nc(C)[nH+]1 ZINC000453145485 501278671 /nfs/dbraw/zinc/27/86/71/501278671.db2.gz WKNRJBKHBICBIA-MRXNPFEDSA-N 2 1 353.514 3.458 20 0 FGADMP c1nnc(C2CC2)n1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453148071 501279212 /nfs/dbraw/zinc/27/92/12/501279212.db2.gz QRPIFLDPVXDVHJ-QHAWAJNXSA-N 2 1 365.525 3.188 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453178075 501285971 /nfs/dbraw/zinc/28/59/71/501285971.db2.gz URUZUXPHMPPWKI-VAMGGRTRSA-N 2 1 357.542 3.182 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c(=O)n1C ZINC000453209096 501291962 /nfs/dbraw/zinc/29/19/62/501291962.db2.gz CTABQCGIYQXIMH-BHDDXSALSA-N 2 1 365.521 3.227 20 0 FGADMP C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000451467020 501299052 /nfs/dbraw/zinc/29/90/52/501299052.db2.gz ZAPKYOPNCMOIPT-HRYATBACSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000451467020 501299054 /nfs/dbraw/zinc/29/90/54/501299054.db2.gz ZAPKYOPNCMOIPT-HRYATBACSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@@H](O)[C@@H]2C)c1 ZINC000451467020 501299057 /nfs/dbraw/zinc/29/90/57/501299057.db2.gz ZAPKYOPNCMOIPT-HRYATBACSA-N 2 1 366.933 3.030 20 0 FGADMP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453318809 501313913 /nfs/dbraw/zinc/31/39/13/501313913.db2.gz LMZZSLMJSYRUQU-CSEOROSGSA-N 2 1 358.526 3.071 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531827 501314574 /nfs/dbraw/zinc/31/45/74/501314574.db2.gz KLZJSSUEIVFXCO-NZQKXSOJSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531827 501314578 /nfs/dbraw/zinc/31/45/78/501314578.db2.gz KLZJSSUEIVFXCO-NZQKXSOJSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531827 501314581 /nfs/dbraw/zinc/31/45/81/501314581.db2.gz KLZJSSUEIVFXCO-NZQKXSOJSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)CCc3ccccc3)C2)CC1 ZINC000451531827 501314582 /nfs/dbraw/zinc/31/45/82/501314582.db2.gz KLZJSSUEIVFXCO-NZQKXSOJSA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533216 501315455 /nfs/dbraw/zinc/31/54/55/501315455.db2.gz VRBOMMAULMNOTG-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533216 501315458 /nfs/dbraw/zinc/31/54/58/501315458.db2.gz VRBOMMAULMNOTG-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533216 501315460 /nfs/dbraw/zinc/31/54/60/501315460.db2.gz VRBOMMAULMNOTG-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533216 501315463 /nfs/dbraw/zinc/31/54/63/501315463.db2.gz VRBOMMAULMNOTG-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000451533216 501315465 /nfs/dbraw/zinc/31/54/65/501315465.db2.gz VRBOMMAULMNOTG-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607633 501345900 /nfs/dbraw/zinc/34/59/00/501345900.db2.gz JCCJNGUSAIWLJK-LJQANCHMSA-N 2 1 372.557 3.167 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)cc1F ZINC000458273193 501408623 /nfs/dbraw/zinc/40/86/23/501408623.db2.gz AIWXOKLXJUQXTR-SFHVURJKSA-N 2 1 363.477 3.112 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CCC2(C)C)CC1 ZINC000452017786 501419532 /nfs/dbraw/zinc/41/95/32/501419532.db2.gz XLVIXMXBQINNFU-GOSISDBHSA-N 2 1 357.542 3.339 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000455949734 501424152 /nfs/dbraw/zinc/42/41/52/501424152.db2.gz YYNUGHKCIOZBIV-OXQOHEQNSA-N 2 1 358.530 3.431 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000458396853 501435928 /nfs/dbraw/zinc/43/59/28/501435928.db2.gz DCZLDQDXQLQRQD-OALUTQOASA-N 2 1 372.557 3.243 20 0 FGADMP C(=C\C[N@H+]1CCCC2(CCOCC2)C1)\C[NH+]1CCCC2(CCOCC2)C1 ZINC000607749841 506253001 /nfs/dbraw/zinc/25/30/01/506253001.db2.gz SPQCHBLAKYQMAV-UPHRSURJSA-N 2 1 362.558 3.328 20 0 FGADMP C[N@@H+](CCc1ccc2c(c1)OCCO2)C1CCN(CCC(F)(F)F)CC1 ZINC000452122203 501440484 /nfs/dbraw/zinc/44/04/84/501440484.db2.gz UWKQMKBYRPZNGA-UHFFFAOYSA-N 2 1 372.431 3.349 20 0 FGADMP CC[N@@H+](CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H](C)C1)C(C)C ZINC000588276246 506257794 /nfs/dbraw/zinc/25/77/94/506257794.db2.gz MXEOKLAOUGGWIF-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000588276246 506257798 /nfs/dbraw/zinc/25/77/98/506257798.db2.gz MXEOKLAOUGGWIF-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP CC[NH+](CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C(C)C ZINC000588276246 506257803 /nfs/dbraw/zinc/25/78/03/506257803.db2.gz MXEOKLAOUGGWIF-LJQANCHMSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588285389 506261135 /nfs/dbraw/zinc/26/11/35/506261135.db2.gz IRIQZEIMKDXPMW-QFBILLFUSA-N 2 1 367.497 3.134 20 0 FGADMP CSC[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027472 501604055 /nfs/dbraw/zinc/60/40/55/501604055.db2.gz VMWKMDSTFJYLSJ-VQTJNVASSA-N 2 1 362.583 3.333 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788501 501629864 /nfs/dbraw/zinc/62/98/64/501629864.db2.gz BCBJHIGGCRQWDQ-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000459330830 501632045 /nfs/dbraw/zinc/63/20/45/501632045.db2.gz ZVCZMROBCDYNFB-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330830 501632046 /nfs/dbraw/zinc/63/20/46/501632046.db2.gz ZVCZMROBCDYNFB-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000459330830 501632047 /nfs/dbraw/zinc/63/20/47/501632047.db2.gz ZVCZMROBCDYNFB-RTWAWAEBSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)c2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)c1 ZINC000457367205 501688078 /nfs/dbraw/zinc/68/80/78/501688078.db2.gz DZENNIMNUPHMHD-IAGOWNOFSA-N 2 1 367.493 3.315 20 0 FGADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OCC(F)(F)F ZINC000459721095 501703818 /nfs/dbraw/zinc/70/38/18/501703818.db2.gz AONADJLDHFITPS-CQSZACIVSA-N 2 1 360.420 3.458 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459729698 501705243 /nfs/dbraw/zinc/70/52/43/501705243.db2.gz DKSWALJXUABSSG-CABCVRRESA-N 2 1 367.921 3.387 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490143 501709242 /nfs/dbraw/zinc/70/92/42/501709242.db2.gz SUKDEHJMGBYYMK-YJBOKZPZSA-N 2 1 366.937 3.067 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)C1 ZINC000457490143 501709243 /nfs/dbraw/zinc/70/92/43/501709243.db2.gz SUKDEHJMGBYYMK-YJBOKZPZSA-N 2 1 366.937 3.067 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000459772302 501712389 /nfs/dbraw/zinc/71/23/89/501712389.db2.gz IKGHOHVKLPKKSL-CYBMUJFWSA-N 2 1 353.304 3.206 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)N2CC[N@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000457538172 501718704 /nfs/dbraw/zinc/71/87/04/501718704.db2.gz WZYAAYMBNHSDSJ-SFHVURJKSA-N 2 1 372.557 3.154 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Cl)cc1C ZINC000481292388 501734960 /nfs/dbraw/zinc/73/49/60/501734960.db2.gz MYENAVHKMQAQQG-QGZVFWFLSA-N 2 1 351.922 3.137 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000470600719 501739787 /nfs/dbraw/zinc/73/97/87/501739787.db2.gz MXYSTELQSAKUJP-JKIFEVAISA-N 2 1 371.447 3.297 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@H+]2CC=C(C)CC2)cc1 ZINC000460218255 501763537 /nfs/dbraw/zinc/76/35/37/501763537.db2.gz UGUPSVJRYNEVOH-KRWDZBQOSA-N 2 1 367.497 3.193 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCC[N@@H+]2CC=C(C)CC2)cc1 ZINC000460218255 501763542 /nfs/dbraw/zinc/76/35/42/501763542.db2.gz UGUPSVJRYNEVOH-KRWDZBQOSA-N 2 1 367.497 3.193 20 0 FGADMP Cc1noc(CCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000477774088 501783401 /nfs/dbraw/zinc/78/34/01/501783401.db2.gz PJWOXVSXFJNDLD-OAQYLSRUSA-N 2 1 354.498 3.299 20 0 FGADMP Cc1noc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)n1 ZINC000477774088 501783405 /nfs/dbraw/zinc/78/34/05/501783405.db2.gz PJWOXVSXFJNDLD-OAQYLSRUSA-N 2 1 354.498 3.299 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)n1 ZINC000477774088 501783412 /nfs/dbraw/zinc/78/34/12/501783412.db2.gz PJWOXVSXFJNDLD-OAQYLSRUSA-N 2 1 354.498 3.299 20 0 FGADMP Cc1noc(CCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000477774088 501783416 /nfs/dbraw/zinc/78/34/16/501783416.db2.gz PJWOXVSXFJNDLD-OAQYLSRUSA-N 2 1 354.498 3.299 20 0 FGADMP CC[N@@H+](CCNC(=O)N(C)[C@@H]1CCC[NH+](Cc2ccccc2)C1)C(C)C ZINC000470735517 501786238 /nfs/dbraw/zinc/78/62/38/501786238.db2.gz YNXDPDQKMWHPNZ-HXUWFJFHSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000470735517 501786240 /nfs/dbraw/zinc/78/62/40/501786240.db2.gz YNXDPDQKMWHPNZ-HXUWFJFHSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+](CCNC(=O)N(C)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000470735517 501786242 /nfs/dbraw/zinc/78/62/42/501786242.db2.gz YNXDPDQKMWHPNZ-HXUWFJFHSA-N 2 1 360.546 3.023 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000467428952 501792240 /nfs/dbraw/zinc/79/22/40/501792240.db2.gz MVCMKEJIASOCEI-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000467428952 501792245 /nfs/dbraw/zinc/79/22/45/501792245.db2.gz MVCMKEJIASOCEI-WWPVKYPJSA-N 2 1 352.522 3.399 20 0 FGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343616 501798059 /nfs/dbraw/zinc/79/80/59/501798059.db2.gz PJNGWPVNBMVOCJ-DJJWIGDXSA-N 2 1 371.569 3.237 20 0 FGADMP C[C@@H]1C[C@H](C)CN(C(=O)C[NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000460343616 501798065 /nfs/dbraw/zinc/79/80/65/501798065.db2.gz PJNGWPVNBMVOCJ-DJJWIGDXSA-N 2 1 371.569 3.237 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774016 501798189 /nfs/dbraw/zinc/79/81/89/501798189.db2.gz QRQOFUJUOMXDIW-NFBKMPQASA-N 2 1 352.522 3.407 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470774016 501798195 /nfs/dbraw/zinc/79/81/95/501798195.db2.gz QRQOFUJUOMXDIW-NFBKMPQASA-N 2 1 352.522 3.407 20 0 FGADMP CCCN(CC[NH+]1CCCCCC1)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000460407231 501818268 /nfs/dbraw/zinc/81/82/68/501818268.db2.gz ZTPCBNFDNKQECS-IHWFROFDSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000467700774 501848282 /nfs/dbraw/zinc/84/82/82/501848282.db2.gz NRGREKKMLXDYJP-NRSPTQNISA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700774 501848287 /nfs/dbraw/zinc/84/82/87/501848287.db2.gz NRGREKKMLXDYJP-NRSPTQNISA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[NH+]1Cc1ccccc1 ZINC000467700774 501848290 /nfs/dbraw/zinc/84/82/90/501848290.db2.gz NRGREKKMLXDYJP-NRSPTQNISA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nc(C(F)(F)F)cs1 ZINC000467752819 501860900 /nfs/dbraw/zinc/86/09/00/501860900.db2.gz MIPKGLKPCVKPQY-GFCCVEGCSA-N 2 1 364.481 3.086 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000478040454 501861840 /nfs/dbraw/zinc/86/18/40/501861840.db2.gz ISHDKSKYRHJOAN-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000478040454 501861835 /nfs/dbraw/zinc/86/18/35/501861835.db2.gz ISHDKSKYRHJOAN-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000478040454 501861847 /nfs/dbraw/zinc/86/18/47/501861847.db2.gz ISHDKSKYRHJOAN-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000478040454 501861854 /nfs/dbraw/zinc/86/18/54/501861854.db2.gz ISHDKSKYRHJOAN-HNNXBMFYSA-N 2 1 355.320 3.492 20 0 FGADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)[C@@H]1C ZINC000474624478 501898255 /nfs/dbraw/zinc/89/82/55/501898255.db2.gz UUBZDORBYKIHNJ-RPVQJOFSSA-N 2 1 359.445 3.387 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCCc3ccc(C)nc3)CC2)oc1C ZINC000474722398 501933035 /nfs/dbraw/zinc/93/30/35/501933035.db2.gz YEPYOCWUGZKQSZ-UHFFFAOYSA-N 2 1 356.514 3.429 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474798369 501955867 /nfs/dbraw/zinc/95/58/67/501955867.db2.gz KPRKDQJALZGCHM-PWHSHALESA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000474798369 501955877 /nfs/dbraw/zinc/95/58/77/501955877.db2.gz KPRKDQJALZGCHM-PWHSHALESA-N 2 1 368.521 3.414 20 0 FGADMP Cn1c2cc(F)ccc2[nH+]c1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000464335215 501957443 /nfs/dbraw/zinc/95/74/43/501957443.db2.gz VAQBURFAQOZBLE-UHFFFAOYSA-N 2 1 368.456 3.221 20 0 FGADMP O=C(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351559 501964295 /nfs/dbraw/zinc/96/42/95/501964295.db2.gz LVRDIUVOCREOLN-FGZHOGPDSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000464351559 501964302 /nfs/dbraw/zinc/96/43/02/501964302.db2.gz LVRDIUVOCREOLN-FGZHOGPDSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000464351559 501964307 /nfs/dbraw/zinc/96/43/07/501964307.db2.gz LVRDIUVOCREOLN-FGZHOGPDSA-N 2 1 369.553 3.279 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000468180676 501979758 /nfs/dbraw/zinc/97/97/58/501979758.db2.gz ZCPHXYHDFSACQA-OAQYLSRUSA-N 2 1 357.542 3.372 20 0 FGADMP COC(=O)CC1CCC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000599028712 506286142 /nfs/dbraw/zinc/28/61/42/506286142.db2.gz VWNMWRYFXQWSLB-UHFFFAOYSA-N 2 1 366.546 3.122 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCc1cccs1 ZINC000482132171 501984466 /nfs/dbraw/zinc/98/44/66/501984466.db2.gz ZKMOQCRAKGPEKG-XYJFISCASA-N 2 1 351.560 3.243 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCc1ccccc1F ZINC000482138572 501986802 /nfs/dbraw/zinc/98/68/02/501986802.db2.gz CLHSDNUQPWQXCZ-XKGZKEIXSA-N 2 1 363.521 3.321 20 0 FGADMP O=C(CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2)Nc1cccnc1 ZINC000478560583 502018838 /nfs/dbraw/zinc/01/88/38/502018838.db2.gz YCMUFQHBBNIXKV-SFHVURJKSA-N 2 1 370.522 3.116 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000475042685 502032477 /nfs/dbraw/zinc/03/24/77/502032477.db2.gz ZFEILFDJMKDZRL-PZJWPPBQSA-N 2 1 369.484 3.034 20 0 FGADMP CCCCOc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468413440 502051796 /nfs/dbraw/zinc/05/17/96/502051796.db2.gz VUGHEEMGTSPCGJ-CTNGQTDRSA-N 2 1 359.558 3.323 20 0 FGADMP CCCCOc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000468413440 502051803 /nfs/dbraw/zinc/05/18/03/502051803.db2.gz VUGHEEMGTSPCGJ-CTNGQTDRSA-N 2 1 359.558 3.323 20 0 FGADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269413 502057601 /nfs/dbraw/zinc/05/76/01/502057601.db2.gz XCIVBYKKDXHOPT-ROUUACIJSA-N 2 1 351.922 3.276 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000461269413 502057606 /nfs/dbraw/zinc/05/76/06/502057606.db2.gz XCIVBYKKDXHOPT-ROUUACIJSA-N 2 1 351.922 3.276 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C2 ZINC000475107767 502062390 /nfs/dbraw/zinc/06/23/90/502062390.db2.gz GVDAQRWDBZTFIH-ZOCZFRKYSA-N 2 1 360.546 3.265 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000482434160 502066118 /nfs/dbraw/zinc/06/61/18/502066118.db2.gz DRZUYMHMJPGVRH-QGZVFWFLSA-N 2 1 357.523 3.032 20 0 FGADMP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642185 506291257 /nfs/dbraw/zinc/29/12/57/506291257.db2.gz ZMDWTKDRQLMDQT-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000588642185 506291268 /nfs/dbraw/zinc/29/12/68/506291268.db2.gz ZMDWTKDRQLMDQT-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000588642185 506291273 /nfs/dbraw/zinc/29/12/73/506291273.db2.gz ZMDWTKDRQLMDQT-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)C1 ZINC000588642185 506291280 /nfs/dbraw/zinc/29/12/80/506291280.db2.gz ZMDWTKDRQLMDQT-AZUAARDMSA-N 2 1 357.542 3.278 20 0 FGADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000475120798 502067176 /nfs/dbraw/zinc/06/71/76/502067176.db2.gz PRGOWZOINZHTSM-GOSISDBHSA-N 2 1 362.562 3.100 20 0 FGADMP C[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000475140331 502077011 /nfs/dbraw/zinc/07/70/11/502077011.db2.gz RYWNOHAXCRJXKQ-PZJWPPBQSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168926 502088947 /nfs/dbraw/zinc/08/89/47/502088947.db2.gz BBVWBZDFUUMLDM-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475168926 502088954 /nfs/dbraw/zinc/08/89/54/502088954.db2.gz BBVWBZDFUUMLDM-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475168926 502088957 /nfs/dbraw/zinc/08/89/57/502088957.db2.gz BBVWBZDFUUMLDM-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000468552034 502102408 /nfs/dbraw/zinc/10/24/08/502102408.db2.gz FTPCFBAXYSYNOW-XXBNENTESA-N 2 1 368.521 3.243 20 0 FGADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000468552034 502102414 /nfs/dbraw/zinc/10/24/14/502102414.db2.gz FTPCFBAXYSYNOW-XXBNENTESA-N 2 1 368.521 3.243 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000461429394 502110876 /nfs/dbraw/zinc/11/08/76/502110876.db2.gz NZLGCKGVPVEAOI-RLLQIKCJSA-N 2 1 357.542 3.134 20 0 FGADMP C[NH+](C)C[C@@H]1CCCN1C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000464923711 502146027 /nfs/dbraw/zinc/14/60/27/502146027.db2.gz PRKSSVZYBDPBDV-QFIPXVFZSA-N 2 1 365.521 3.241 20 0 FGADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000475355882 502147232 /nfs/dbraw/zinc/14/72/32/502147232.db2.gz XBHUNKWKMRUQSV-SQNIBIBYSA-N 2 1 371.525 3.304 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000471831108 502148269 /nfs/dbraw/zinc/14/82/69/502148269.db2.gz KBOJVDKTBJKBKT-YADHBBJMSA-N 2 1 365.521 3.218 20 0 FGADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(=O)N2Cc3ccccc3C2)CC1 ZINC000475515881 502200294 /nfs/dbraw/zinc/20/02/94/502200294.db2.gz GUIQOHWMJFDSGD-LAUBAEHRSA-N 2 1 355.526 3.162 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000482895778 502209940 /nfs/dbraw/zinc/20/99/40/502209940.db2.gz WOQBHSPVFDYNTF-LSBZLQRGSA-N 2 1 353.913 3.373 20 0 FGADMP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475546691 502209756 /nfs/dbraw/zinc/20/97/56/502209756.db2.gz DXHFZBDTARLKES-IRLDBZIGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546691 502209761 /nfs/dbraw/zinc/20/97/61/502209761.db2.gz DXHFZBDTARLKES-IRLDBZIGSA-N 2 1 369.553 3.374 20 0 FGADMP CN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475546691 502209769 /nfs/dbraw/zinc/20/97/69/502209769.db2.gz DXHFZBDTARLKES-IRLDBZIGSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1 ZINC000482895778 502209945 /nfs/dbraw/zinc/20/99/45/502209945.db2.gz WOQBHSPVFDYNTF-LSBZLQRGSA-N 2 1 353.913 3.373 20 0 FGADMP COCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccc4c(c3)CCO4)cc2)CC1 ZINC000461877654 502221524 /nfs/dbraw/zinc/22/15/24/502221524.db2.gz NRFRIWFMBMQJOK-UHFFFAOYSA-N 2 1 366.505 3.489 20 0 FGADMP Fc1ccc2cc(C[NH2+]Cc3ccc(C[NH+]4CCOCC4)cc3)[nH]c2c1 ZINC000486687143 502231079 /nfs/dbraw/zinc/23/10/79/502231079.db2.gz IWHMLALBZCIICS-UHFFFAOYSA-N 2 1 353.441 3.429 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[NH+]1CCC[N@@H+]1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262934 /nfs/dbraw/zinc/26/29/34/502262934.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[N@H+]1CCC[NH+]1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262937 /nfs/dbraw/zinc/26/29/37/502262937.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)C[C@@]1(CO)CCC[N@@H+]1CCC[NH+]1CCC[C@@]1(CO)CC(C)C ZINC000475718424 502262941 /nfs/dbraw/zinc/26/29/41/502262941.db2.gz YMBCFLZCDYKGLP-OYRHEFFESA-N 2 1 354.579 3.123 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000462005039 502270600 /nfs/dbraw/zinc/27/06/00/502270600.db2.gz CBSVZQLICWTQFK-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000462005039 502270604 /nfs/dbraw/zinc/27/06/04/502270604.db2.gz CBSVZQLICWTQFK-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000462005039 502270611 /nfs/dbraw/zinc/27/06/11/502270611.db2.gz CBSVZQLICWTQFK-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC(C)(C)C1 ZINC000483098442 502270867 /nfs/dbraw/zinc/27/08/67/502270867.db2.gz CUCGIPSGUVVQAU-FQEVSTJZSA-N 2 1 357.542 3.409 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462010897 502273594 /nfs/dbraw/zinc/27/35/94/502273594.db2.gz MSHNWHXSTQVOTM-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462010897 502273597 /nfs/dbraw/zinc/27/35/97/502273597.db2.gz MSHNWHXSTQVOTM-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462010897 502273601 /nfs/dbraw/zinc/27/36/01/502273601.db2.gz MSHNWHXSTQVOTM-ICSRJNTNSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259593 502288246 /nfs/dbraw/zinc/28/82/46/502288246.db2.gz MHBUEPRCDJAODF-GJZGRUSLSA-N 2 1 364.515 3.292 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2nnc(-c3cccs3)o2)C1 ZINC000472259593 502288251 /nfs/dbraw/zinc/28/82/51/502288251.db2.gz MHBUEPRCDJAODF-GJZGRUSLSA-N 2 1 364.515 3.292 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000462063461 502291661 /nfs/dbraw/zinc/29/16/61/502291661.db2.gz XBKJMIBRACXPDY-QFIPXVFZSA-N 2 1 363.505 3.042 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000462063461 502291665 /nfs/dbraw/zinc/29/16/65/502291665.db2.gz XBKJMIBRACXPDY-QFIPXVFZSA-N 2 1 363.505 3.042 20 0 FGADMP CC(C)[C@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCCC1 ZINC000465559640 502308188 /nfs/dbraw/zinc/30/81/88/502308188.db2.gz AODDKJNYVIYPIF-NXEWRWPSSA-N 2 1 364.578 3.202 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563014 502308421 /nfs/dbraw/zinc/30/84/21/502308421.db2.gz FKDGWVPIXKQMRA-UYAOXDASSA-N 2 1 366.594 3.260 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000472309945 502310081 /nfs/dbraw/zinc/31/00/81/502310081.db2.gz KBKLQJXAFHPMKU-NRFANRHFSA-N 2 1 374.573 3.269 20 0 FGADMP CCC[NH+]1CCC(NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000462120235 502313553 /nfs/dbraw/zinc/31/35/53/502313553.db2.gz RZURGSGAOGUAQH-UHFFFAOYSA-N 2 1 351.579 3.264 20 0 FGADMP CCC[NH+]1CCC(NCC2([N@H+]3CCOC(C)(C)C3)CCCCC2)CC1 ZINC000462120235 502313557 /nfs/dbraw/zinc/31/35/57/502313557.db2.gz RZURGSGAOGUAQH-UHFFFAOYSA-N 2 1 351.579 3.264 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000465692840 502348562 /nfs/dbraw/zinc/34/85/62/502348562.db2.gz KKJVUXRQPXMTJE-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000465692840 502348564 /nfs/dbraw/zinc/34/85/64/502348564.db2.gz KKJVUXRQPXMTJE-RTWAWAEBSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)c1ccccc1 ZINC000476010594 502357327 /nfs/dbraw/zinc/35/73/27/502357327.db2.gz KGGBILDORSNZTE-IRFCIJBXSA-N 2 1 374.573 3.236 20 0 FGADMP C[C@@H]1CCC[C@](CNC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)([NH+](C)C)C1 ZINC000465731960 502362875 /nfs/dbraw/zinc/36/28/75/502362875.db2.gz VTYDUFNLRXFZFQ-QFUCXCTJSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)C[C@@H](C)O1 ZINC000472566109 502385972 /nfs/dbraw/zinc/38/59/72/502385972.db2.gz CYYUSYMJIPJJJV-SBHAEUEKSA-N 3 1 351.579 3.072 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[NH+](C)CC1 ZINC000469433663 502416063 /nfs/dbraw/zinc/41/60/63/502416063.db2.gz HAFBNRAVDWZWBP-GHTZIAJQSA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000469433663 502416067 /nfs/dbraw/zinc/41/60/67/502416067.db2.gz HAFBNRAVDWZWBP-GHTZIAJQSA-N 2 1 372.557 3.093 20 0 FGADMP CC(C)[C@@H](C[NH+](C)Cc1ccccc1)NC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000469433663 502416070 /nfs/dbraw/zinc/41/60/70/502416070.db2.gz HAFBNRAVDWZWBP-GHTZIAJQSA-N 2 1 372.557 3.093 20 0 FGADMP CCC[N@H+](Cc1cc(C)n(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000487396504 502433607 /nfs/dbraw/zinc/43/36/07/502433607.db2.gz GXIHBBJXKKOGAF-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CCC[N@@H+](Cc1cc(C)n(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000487396504 502433610 /nfs/dbraw/zinc/43/36/10/502433610.db2.gz GXIHBBJXKKOGAF-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NCc1ccc(CC[NH+](C)C)cc1)C2 ZINC000469491167 502438110 /nfs/dbraw/zinc/43/81/10/502438110.db2.gz CGJGXDCRIOHOAL-GOSISDBHSA-N 2 1 368.525 3.059 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000480014031 502445767 /nfs/dbraw/zinc/44/57/67/502445767.db2.gz FEIDKEFSYPPRQK-KBXCAEBGSA-N 2 1 359.495 3.237 20 0 FGADMP CCOC(=O)c1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000480014031 502445774 /nfs/dbraw/zinc/44/57/74/502445774.db2.gz FEIDKEFSYPPRQK-KBXCAEBGSA-N 2 1 359.495 3.237 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000469568878 502466452 /nfs/dbraw/zinc/46/64/52/502466452.db2.gz MYAUXHMDRQCBEP-SFTDATJTSA-N 2 1 357.542 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710893 502470559 /nfs/dbraw/zinc/47/05/59/502470559.db2.gz MJDFWXVBUMIUMA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710893 502470566 /nfs/dbraw/zinc/47/05/66/502470566.db2.gz MJDFWXVBUMIUMA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000483710893 502470569 /nfs/dbraw/zinc/47/05/69/502470569.db2.gz MJDFWXVBUMIUMA-ICSRJNTNSA-N 2 1 360.546 3.023 20 0 FGADMP CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000462538054 502480073 /nfs/dbraw/zinc/48/00/73/502480073.db2.gz MSHNWHXSTQVOTM-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462538054 502480075 /nfs/dbraw/zinc/48/00/75/502480075.db2.gz MSHNWHXSTQVOTM-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CCN(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000462538054 502480081 /nfs/dbraw/zinc/48/00/81/502480081.db2.gz MSHNWHXSTQVOTM-UYAOXDASSA-N 2 1 360.546 3.021 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)c1ccco1 ZINC000483778090 502489920 /nfs/dbraw/zinc/48/99/20/502489920.db2.gz UMIUKRFJIUVALU-FGTMMUONSA-N 2 1 364.534 3.177 20 0 FGADMP C[C@H](CNC(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000476480495 502500787 /nfs/dbraw/zinc/50/07/87/502500787.db2.gz ADOMJBQVDRRUBQ-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1CCCC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000476480495 502500789 /nfs/dbraw/zinc/50/07/89/502500789.db2.gz ADOMJBQVDRRUBQ-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP C[C@H](CNC(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000476480495 502500792 /nfs/dbraw/zinc/50/07/92/502500792.db2.gz ADOMJBQVDRRUBQ-RTBURBONSA-N 2 1 360.546 3.071 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC(C[NH+](C)Cc2ccccc2)CC1 ZINC000473180232 502537103 /nfs/dbraw/zinc/53/71/03/502537103.db2.gz BWJYCZACCRYKRT-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000473180232 502537111 /nfs/dbraw/zinc/53/71/11/502537111.db2.gz BWJYCZACCRYKRT-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000473180232 502537116 /nfs/dbraw/zinc/53/71/16/502537116.db2.gz BWJYCZACCRYKRT-UHFFFAOYSA-N 2 1 374.573 3.272 20 0 FGADMP CCCCN(CC)C(=O)CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469783972 502545010 /nfs/dbraw/zinc/54/50/10/502545010.db2.gz SRLNBGDFDNVSJT-NGRWLJPCSA-N 2 1 359.558 3.381 20 0 FGADMP CCCCN(CC)C(=O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000469783972 502545020 /nfs/dbraw/zinc/54/50/20/502545020.db2.gz SRLNBGDFDNVSJT-NGRWLJPCSA-N 2 1 359.558 3.381 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1)C(C)C ZINC000480368523 502549128 /nfs/dbraw/zinc/54/91/28/502549128.db2.gz ZNDHAMVSSCJIFM-HXUWFJFHSA-N 2 1 363.571 3.084 20 0 FGADMP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487894082 502558752 /nfs/dbraw/zinc/55/87/52/502558752.db2.gz HOIJKVKNYJRVDH-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+](CCC(=O)Nc1cccnc1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000484082585 502565088 /nfs/dbraw/zinc/56/50/88/502565088.db2.gz KXLFPPPVVPNNNN-UHFFFAOYSA-N 2 1 367.497 3.044 20 0 FGADMP CCC[NH+]1CCC(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000476698635 502567484 /nfs/dbraw/zinc/56/74/84/502567484.db2.gz GAGAWAXOROSPHA-OAQYLSRUSA-N 2 1 372.557 3.071 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2c(Br)cc(OC)cc2OC)CC1 ZINC000469854514 502569009 /nfs/dbraw/zinc/56/90/09/502569009.db2.gz MNUWYTDOAKYZED-UHFFFAOYSA-N 2 1 371.319 3.288 20 0 FGADMP CCOc1c(Br)cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000469855799 502569272 /nfs/dbraw/zinc/56/92/72/502569272.db2.gz XUVLGGCHJRNKBG-UHFFFAOYSA-N 2 1 359.308 3.273 20 0 FGADMP COc1ccc(-c2nc(C[NH+]3CCC(OCCC[NH3+])CC3)cs2)cc1 ZINC000469867434 502575928 /nfs/dbraw/zinc/57/59/28/502575928.db2.gz SBTSFSHDWLNAKX-UHFFFAOYSA-N 2 1 361.511 3.149 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000462812469 502584065 /nfs/dbraw/zinc/58/40/65/502584065.db2.gz NYQZWCGAEGIASI-JRGCBEDISA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000462812469 502584069 /nfs/dbraw/zinc/58/40/69/502584069.db2.gz NYQZWCGAEGIASI-JRGCBEDISA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000462812469 502584074 /nfs/dbraw/zinc/58/40/74/502584074.db2.gz NYQZWCGAEGIASI-JRGCBEDISA-N 2 1 355.526 3.030 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@@H]3C[N@@H+](C)C[C@@H]3C)n2)cc1 ZINC000462822926 502588083 /nfs/dbraw/zinc/58/80/83/502588083.db2.gz XXMPVCPMUJVMNR-MAUKXSAKSA-N 2 1 358.486 3.122 20 0 FGADMP COc1ccc([C@H](C)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cc1 ZINC000484161188 502589634 /nfs/dbraw/zinc/58/96/34/502589634.db2.gz NNLXEZRQVRSNNG-RBDMOPTHSA-N 2 1 354.494 3.229 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[NH+]2CCCC2)cc1 ZINC000469908560 502593778 /nfs/dbraw/zinc/59/37/78/502593778.db2.gz QTMIUDOTKOGSSG-INIZCTEOSA-N 2 1 355.486 3.027 20 0 FGADMP c1ccc(C[N@H+]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@H]3C2)cc1 ZINC000480579674 502609257 /nfs/dbraw/zinc/60/92/57/502609257.db2.gz JXEKGKXPLRGBGC-BGYRXZFFSA-N 2 1 363.509 3.035 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H]3CN(c4cc[nH+]c(N5CCCCC5)n4)C[C@H]3C2)cc1 ZINC000480579674 502609261 /nfs/dbraw/zinc/60/92/61/502609261.db2.gz JXEKGKXPLRGBGC-BGYRXZFFSA-N 2 1 363.509 3.035 20 0 FGADMP Fc1ccc(-n2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)nn2)cc1Cl ZINC000469992401 502621587 /nfs/dbraw/zinc/62/15/87/502621587.db2.gz PQXDFCPWHNUKPE-GOSISDBHSA-N 2 1 363.868 3.024 20 0 FGADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000470008161 502628925 /nfs/dbraw/zinc/62/89/25/502628925.db2.gz GMBYERZYUJUXLC-NSHDSACASA-N 2 1 352.301 3.353 20 0 FGADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C1 ZINC000470008161 502628928 /nfs/dbraw/zinc/62/89/28/502628928.db2.gz GMBYERZYUJUXLC-NSHDSACASA-N 2 1 352.301 3.353 20 0 FGADMP COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(Br)c1O ZINC000470013829 502630644 /nfs/dbraw/zinc/63/06/44/502630644.db2.gz QZRAMOYONIJBOA-AWEZNQCLSA-N 2 1 369.303 3.127 20 0 FGADMP Fc1ccc(-n2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)nn2)c(Cl)c1 ZINC000470020060 502632853 /nfs/dbraw/zinc/63/28/53/502632853.db2.gz WZQSPYFOBRVMLX-KRWDZBQOSA-N 2 1 363.868 3.024 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466718629 502652463 /nfs/dbraw/zinc/65/24/63/502652463.db2.gz UGZAVFZOPXKHNL-OAQYLSRUSA-N 2 1 371.569 3.397 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466718629 502652467 /nfs/dbraw/zinc/65/24/67/502652467.db2.gz UGZAVFZOPXKHNL-OAQYLSRUSA-N 2 1 371.569 3.397 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@H](CC(C)C)C2)CC1 ZINC000466718629 502652470 /nfs/dbraw/zinc/65/24/70/502652470.db2.gz UGZAVFZOPXKHNL-OAQYLSRUSA-N 2 1 371.569 3.397 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000466734440 502658174 /nfs/dbraw/zinc/65/81/74/502658174.db2.gz JBFRGRWTYXHPPO-UHFFFAOYSA-N 2 1 358.486 3.059 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000480763954 502663979 /nfs/dbraw/zinc/66/39/79/502663979.db2.gz WZFVMFBBQASBDO-FSSWDIPSSA-N 2 1 367.622 3.470 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)NC1CCCCC1 ZINC000480893242 502698457 /nfs/dbraw/zinc/69/84/57/502698457.db2.gz CMLJYHWGNUIQSM-GHTZIAJQSA-N 2 1 357.542 3.326 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000488487330 502729726 /nfs/dbraw/zinc/72/97/26/502729726.db2.gz ZIWRNIRDTCLWPM-GCJKJVERSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481183292 502776004 /nfs/dbraw/zinc/77/60/04/502776004.db2.gz AWWRRHWDRZXRPV-RMVXJAJNSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481183292 502776011 /nfs/dbraw/zinc/77/60/11/502776011.db2.gz AWWRRHWDRZXRPV-RMVXJAJNSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)C1 ZINC000484919652 502777770 /nfs/dbraw/zinc/77/77/70/502777770.db2.gz UXMQQILCMDHHBU-IAGOWNOFSA-N 2 1 353.466 3.477 20 0 FGADMP CC(C)[NH+](CCCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)C ZINC000470506593 502799168 /nfs/dbraw/zinc/79/91/68/502799168.db2.gz GAMGKHSAVQLFPK-SFHVURJKSA-N 2 1 354.583 3.305 20 0 FGADMP CC[C@@H](C(=O)N(CC)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000470531045 502806593 /nfs/dbraw/zinc/80/65/93/502806593.db2.gz UFCYTULZMLNSLF-SFTDATJTSA-N 2 1 359.558 3.477 20 0 FGADMP C[C@@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553157 502810711 /nfs/dbraw/zinc/81/07/11/502810711.db2.gz ISYJJAHSWKJVPB-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)[NH+]1CCCCCC1 ZINC000470553159 502810849 /nfs/dbraw/zinc/81/08/49/502810849.db2.gz ISYJJAHSWKJVPB-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@H](CNC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000488961083 502848054 /nfs/dbraw/zinc/84/80/54/502848054.db2.gz OAAJDCHGKPVWQA-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000488961083 502848056 /nfs/dbraw/zinc/84/80/56/502848056.db2.gz OAAJDCHGKPVWQA-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H](CNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000488961083 502848061 /nfs/dbraw/zinc/84/80/61/502848061.db2.gz OAAJDCHGKPVWQA-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP COC(=O)c1ccc(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)nc1 ZINC000509374393 502885935 /nfs/dbraw/zinc/88/59/35/502885935.db2.gz TZJJXWZDZIQPDF-KRWDZBQOSA-N 2 1 359.514 3.345 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CCCC1 ZINC000489180985 502895438 /nfs/dbraw/zinc/89/54/38/502895438.db2.gz HDHYSQNELLOVOY-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@H+](C)C1CCCC1 ZINC000489180985 502895439 /nfs/dbraw/zinc/89/54/39/502895439.db2.gz HDHYSQNELLOVOY-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000489180985 502895443 /nfs/dbraw/zinc/89/54/43/502895443.db2.gz HDHYSQNELLOVOY-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000497122829 502923233 /nfs/dbraw/zinc/92/32/33/502923233.db2.gz BPXRHKQKMZVHDV-UNMCSNQZSA-N 2 1 359.558 3.202 20 0 FGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000501073520 502928994 /nfs/dbraw/zinc/92/89/94/502928994.db2.gz ADDBJPXPGHQMLJ-OAQYLSRUSA-N 2 1 364.493 3.035 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CN2CCOCC2)C1 ZINC000513430280 502936380 /nfs/dbraw/zinc/93/63/80/502936380.db2.gz OYTIBILKJUDVPG-JOCHJYFZSA-N 2 1 373.585 3.189 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000513430280 502936382 /nfs/dbraw/zinc/93/63/82/502936382.db2.gz OYTIBILKJUDVPG-JOCHJYFZSA-N 2 1 373.585 3.189 20 0 FGADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000513430280 502936383 /nfs/dbraw/zinc/93/63/83/502936383.db2.gz OYTIBILKJUDVPG-JOCHJYFZSA-N 2 1 373.585 3.189 20 0 FGADMP Cc1cccc(C)c1OCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501109483 502940971 /nfs/dbraw/zinc/94/09/71/502940971.db2.gz IFJGKNXNPHOXNC-OYRHEFFESA-N 2 1 359.558 3.173 20 0 FGADMP Cc1cccc(C)c1OCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000501109483 502940975 /nfs/dbraw/zinc/94/09/75/502940975.db2.gz IFJGKNXNPHOXNC-OYRHEFFESA-N 2 1 359.558 3.173 20 0 FGADMP OC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000501127202 502945058 /nfs/dbraw/zinc/94/50/58/502945058.db2.gz BPKALJCHUPJQSG-UHFFFAOYSA-N 2 1 366.505 3.013 20 0 FGADMP C[N@H+]1C[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](c2ccccc2)C1 ZINC000497400847 502949534 /nfs/dbraw/zinc/94/95/34/502949534.db2.gz JTZLQWONDVPXKM-FGZHOGPDSA-N 2 1 372.472 3.075 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000501350940 502990777 /nfs/dbraw/zinc/99/07/77/502990777.db2.gz YKQMOZJDSSINOS-PKOBYXMFSA-N 2 1 352.567 3.061 20 0 FGADMP COC(=O)c1occc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489682995 503010898 /nfs/dbraw/zinc/01/08/98/503010898.db2.gz ZPPKJQAWMAHCTJ-UHFFFAOYSA-N 2 1 356.466 3.410 20 0 FGADMP COC(=O)c1occc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000489682995 503010902 /nfs/dbraw/zinc/01/09/02/503010902.db2.gz ZPPKJQAWMAHCTJ-UHFFFAOYSA-N 2 1 356.466 3.410 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CCCn3cc[nH+]c3C)c2C)cc1 ZINC000509944031 503016236 /nfs/dbraw/zinc/01/62/36/503016236.db2.gz NFLSESVVYKFEIR-UHFFFAOYSA-N 2 1 367.497 3.242 20 0 FGADMP C[C@H](CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)[N@H+]1CCCC[C@H]1C ZINC000501535668 503032295 /nfs/dbraw/zinc/03/22/95/503032295.db2.gz XARAPVSAAMPLCW-SFHLNBCPSA-N 2 1 372.557 3.386 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1(C(=O)OC)CCC1 ZINC000497810057 503046436 /nfs/dbraw/zinc/04/64/36/503046436.db2.gz XMOLKIOOCQIDAM-VQTJNVASSA-N 2 1 358.526 3.263 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000513916554 503047761 /nfs/dbraw/zinc/04/77/61/503047761.db2.gz JHPVSKURJJIJIO-NSHGMRRFSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000513916554 503047766 /nfs/dbraw/zinc/04/77/66/503047766.db2.gz JHPVSKURJJIJIO-NSHGMRRFSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000513916554 503047770 /nfs/dbraw/zinc/04/77/70/503047770.db2.gz JHPVSKURJJIJIO-NSHGMRRFSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000498054562 503096798 /nfs/dbraw/zinc/09/67/98/503096798.db2.gz PDGAJDRWHRGENZ-NQIIRXRSSA-N 2 1 357.542 3.087 20 0 FGADMP Cc1ccc([C@H]2C[C@@H](C)[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000490088762 503107039 /nfs/dbraw/zinc/10/70/39/503107039.db2.gz JEJDGHZCWDKZBB-QUCCMNQESA-N 2 1 357.542 3.162 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+]1CCC[C@@H](C)C1 ZINC000514211019 503113979 /nfs/dbraw/zinc/11/39/79/503113979.db2.gz MMUVGUGMTVQMHX-XCJLJZCSSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000514211019 503113985 /nfs/dbraw/zinc/11/39/85/503113985.db2.gz MMUVGUGMTVQMHX-XCJLJZCSSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](CNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000514211019 503113989 /nfs/dbraw/zinc/11/39/89/503113989.db2.gz MMUVGUGMTVQMHX-XCJLJZCSSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000514222109 503117060 /nfs/dbraw/zinc/11/70/60/503117060.db2.gz MFXKUXWRZUVGEZ-HPFXQQBRSA-N 2 1 366.575 3.016 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[NH+](C)C(C)C)C[C@@H]1C ZINC000498231653 503137686 /nfs/dbraw/zinc/13/76/86/503137686.db2.gz NWUXKKUAFJSMJJ-ZWKOTPCHSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C[C@@H]1C ZINC000498231653 503137690 /nfs/dbraw/zinc/13/76/90/503137690.db2.gz NWUXKKUAFJSMJJ-ZWKOTPCHSA-N 2 1 360.546 3.151 20 0 FGADMP CC[NH+]1C[C@@H](C)N(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000498231653 503137694 /nfs/dbraw/zinc/13/76/94/503137694.db2.gz NWUXKKUAFJSMJJ-ZWKOTPCHSA-N 2 1 360.546 3.151 20 0 FGADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615562 503156296 /nfs/dbraw/zinc/15/62/96/503156296.db2.gz CPRWEAYHHUSIBV-LEWJYISDSA-N 2 1 357.542 3.074 20 0 FGADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615562 503156302 /nfs/dbraw/zinc/15/63/02/503156302.db2.gz CPRWEAYHHUSIBV-LEWJYISDSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615562 503156305 /nfs/dbraw/zinc/15/63/05/503156305.db2.gz CPRWEAYHHUSIBV-LEWJYISDSA-N 2 1 357.542 3.074 20 0 FGADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](NC(=O)CCCc2ccccc2)C1 ZINC000510615562 503156311 /nfs/dbraw/zinc/15/63/11/503156311.db2.gz CPRWEAYHHUSIBV-LEWJYISDSA-N 2 1 357.542 3.074 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000498405174 503180404 /nfs/dbraw/zinc/18/04/04/503180404.db2.gz ZBWZYTMSMHHQPR-RXVVDRJESA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506935938 503197000 /nfs/dbraw/zinc/19/70/00/503197000.db2.gz UQJDLIIMQYCNDH-GBESFXJTSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000514948886 503233382 /nfs/dbraw/zinc/23/33/82/503233382.db2.gz BSGWOHWRPBKLJS-CEWLAPEOSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514948886 503233383 /nfs/dbraw/zinc/23/33/83/503233383.db2.gz BSGWOHWRPBKLJS-CEWLAPEOSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000514948886 503233385 /nfs/dbraw/zinc/23/33/85/503233385.db2.gz BSGWOHWRPBKLJS-CEWLAPEOSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000514948887 503233453 /nfs/dbraw/zinc/23/34/53/503233453.db2.gz BSGWOHWRPBKLJS-JBACZVJFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000514948887 503233455 /nfs/dbraw/zinc/23/34/55/503233455.db2.gz BSGWOHWRPBKLJS-JBACZVJFSA-N 2 1 369.553 3.278 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000514948887 503233456 /nfs/dbraw/zinc/23/34/56/503233456.db2.gz BSGWOHWRPBKLJS-JBACZVJFSA-N 2 1 369.553 3.278 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCC[C@H](C)C1 ZINC000490828269 503233624 /nfs/dbraw/zinc/23/36/24/503233624.db2.gz PZDWTLHASOBIMB-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000490828269 503233627 /nfs/dbraw/zinc/23/36/27/503233627.db2.gz PZDWTLHASOBIMB-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[NH+](C)CCNC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000490828269 503233631 /nfs/dbraw/zinc/23/36/31/503233631.db2.gz PZDWTLHASOBIMB-IBGZPJMESA-N 2 1 374.573 3.450 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000490869159 503238903 /nfs/dbraw/zinc/23/89/03/503238903.db2.gz JOGCODNWUJVCRM-UHFFFAOYSA-N 2 1 374.573 3.450 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[N@H+]3CCC[C@H](C)C3)CC2)CC1 ZINC000502632178 503241183 /nfs/dbraw/zinc/24/11/83/503241183.db2.gz TVBGNLOMNQSIFW-HDYDNRTBSA-N 2 1 364.578 3.061 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cc(C)n(C)n3)CC2)cs1 ZINC000502707363 503255266 /nfs/dbraw/zinc/25/52/66/503255266.db2.gz DEFAILYBFYPPBT-HNNXBMFYSA-N 2 1 361.559 3.310 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491023195 503261587 /nfs/dbraw/zinc/26/15/87/503261587.db2.gz URSZMMCTIZZHTD-WMZHIEFXSA-N 2 1 367.537 3.176 20 0 FGADMP CCC(CC)(CNC(=O)NCCn1cc[nH+]c1C)[NH2+][C@H](C)c1ccccc1 ZINC000502816839 503279956 /nfs/dbraw/zinc/27/99/56/503279956.db2.gz UFQQCYOPKDGATB-QGZVFWFLSA-N 2 1 371.529 3.400 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000502823003 503281534 /nfs/dbraw/zinc/28/15/34/503281534.db2.gz DCZACKZQKVPYBH-SFHVURJKSA-N 2 1 360.546 3.060 20 0 FGADMP CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000498907017 503289057 /nfs/dbraw/zinc/28/90/57/503289057.db2.gz KDOKZIWSYUCJRD-UHFFFAOYSA-N 2 1 353.514 3.341 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]c(N2CCCCC2)n1 ZINC000498907017 503289059 /nfs/dbraw/zinc/28/90/59/503289059.db2.gz KDOKZIWSYUCJRD-UHFFFAOYSA-N 2 1 353.514 3.341 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405867 503295173 /nfs/dbraw/zinc/29/51/73/503295173.db2.gz LVBYZIITWBZXQH-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405867 503295176 /nfs/dbraw/zinc/29/51/76/503295176.db2.gz LVBYZIITWBZXQH-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000507405867 503295178 /nfs/dbraw/zinc/29/51/78/503295178.db2.gz LVBYZIITWBZXQH-NRSPTQNISA-N 2 1 372.557 3.071 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000515234728 503298721 /nfs/dbraw/zinc/29/87/21/503298721.db2.gz NKLUAOLZXBFGHX-ADAWSYLGSA-N 2 1 367.896 3.106 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[NH+](C)CC[C@@H]3C)cc2)C1 ZINC000502937571 503310949 /nfs/dbraw/zinc/31/09/49/503310949.db2.gz WBHKKVHQKZSBJM-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@H+](C)CC[C@@H]3C)cc2)C1 ZINC000502937571 503310950 /nfs/dbraw/zinc/31/09/50/503310950.db2.gz WBHKKVHQKZSBJM-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N3CC[N@@H+](C)CC[C@@H]3C)cc2)C1 ZINC000502937571 503310954 /nfs/dbraw/zinc/31/09/54/503310954.db2.gz WBHKKVHQKZSBJM-MOPGFXCFSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCc2cc3ccccc3n(C)c2=O)C1 ZINC000491473174 503311056 /nfs/dbraw/zinc/31/10/56/503311056.db2.gz ZZFWFNLZINJLFM-DYESRHJHSA-N 2 1 361.489 3.464 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000499002413 503311913 /nfs/dbraw/zinc/31/19/13/503311913.db2.gz GHZCVUUOBGILNH-IXDOHACOSA-N 2 1 369.513 3.366 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@H]1C ZINC000499002413 503311918 /nfs/dbraw/zinc/31/19/18/503311918.db2.gz GHZCVUUOBGILNH-IXDOHACOSA-N 2 1 369.513 3.366 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000502941978 503312117 /nfs/dbraw/zinc/31/21/17/503312117.db2.gz SLOSNYVGASIVLN-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C1 ZINC000502941978 503312121 /nfs/dbraw/zinc/31/21/21/503312121.db2.gz SLOSNYVGASIVLN-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP C[C@H]1CCC[NH+](Cc2ccccc2CNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C1 ZINC000502941978 503312125 /nfs/dbraw/zinc/31/21/25/503312125.db2.gz SLOSNYVGASIVLN-OALUTQOASA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)c1ccc(C[NH+]2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)cc1 ZINC000507550504 503319934 /nfs/dbraw/zinc/31/99/34/503319934.db2.gz ICXAFGFKIRSREJ-UHFFFAOYSA-N 2 1 357.542 3.186 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000511467184 503327253 /nfs/dbraw/zinc/32/72/53/503327253.db2.gz YBLKEOXTJLHTQY-QFBILLFUSA-N 2 1 365.477 3.132 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000503058670 503338441 /nfs/dbraw/zinc/33/84/41/503338441.db2.gz LMHIYSOCKCELIZ-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000503058670 503338445 /nfs/dbraw/zinc/33/84/45/503338445.db2.gz LMHIYSOCKCELIZ-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000503058670 503338449 /nfs/dbraw/zinc/33/84/49/503338449.db2.gz LMHIYSOCKCELIZ-ZWKOTPCHSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CC[N@@H+](CC(=O)NCCCSc2ccccc2)C[C@@H]1n1ccnc1 ZINC000503064034 503339830 /nfs/dbraw/zinc/33/98/30/503339830.db2.gz PELYHAWHJJIVQM-MJGOQNOKSA-N 2 1 372.538 3.065 20 0 FGADMP C[C@@H]1CCN(CC(=O)NCCCSc2ccccc2)C[C@@H]1n1ccnc1 ZINC000503064034 503339832 /nfs/dbraw/zinc/33/98/32/503339832.db2.gz PELYHAWHJJIVQM-MJGOQNOKSA-N 2 1 372.538 3.065 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)N1CCCc2ccccc21 ZINC000503119558 503350662 /nfs/dbraw/zinc/35/06/62/503350662.db2.gz IIVRWNJKTQCGEE-FQEVSTJZSA-N 2 1 355.526 3.306 20 0 FGADMP CCc1oc2ccccc2c1C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511679690 503368625 /nfs/dbraw/zinc/36/86/25/503368625.db2.gz CABUCZGVTMPGHP-UHFFFAOYSA-N 2 1 371.525 3.416 20 0 FGADMP CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000511679690 503368628 /nfs/dbraw/zinc/36/86/28/503368628.db2.gz CABUCZGVTMPGHP-UHFFFAOYSA-N 2 1 371.525 3.416 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(-c2cnn(C)c2C)no1 ZINC000503222935 503370620 /nfs/dbraw/zinc/37/06/20/503370620.db2.gz MUCJRGWDRCKQIY-APWZRJJASA-N 2 1 359.518 3.374 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1Cl ZINC000499510504 503421763 /nfs/dbraw/zinc/42/17/63/503421763.db2.gz WDROPARWMIUWCD-HNNXBMFYSA-N 2 1 372.340 3.482 20 0 FGADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000508122676 503436165 /nfs/dbraw/zinc/43/61/65/503436165.db2.gz XIVFQFFXFRYGKM-NRFANRHFSA-N 2 1 357.542 3.281 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)C1 ZINC000508265064 503465383 /nfs/dbraw/zinc/46/53/83/503465383.db2.gz ITVALWRNECMGRW-IBGZPJMESA-N 2 1 354.583 3.115 20 0 FGADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000512182630 503479518 /nfs/dbraw/zinc/47/95/18/503479518.db2.gz FLJJRJJQOIAFOQ-UTKZUKDTSA-N 2 1 355.526 3.203 20 0 FGADMP C[C@@H]1[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000494067934 503482961 /nfs/dbraw/zinc/48/29/61/503482961.db2.gz CUOWMJMGYFKGQH-DYESRHJHSA-N 2 1 351.494 3.141 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NCCC[N@@H+](C)C1CCCCC1)C(C)C ZINC000504008613 503509734 /nfs/dbraw/zinc/50/97/34/503509734.db2.gz IOWNWNKXKZIZNA-UHFFFAOYSA-N 2 1 354.583 3.401 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000499924224 503512195 /nfs/dbraw/zinc/51/21/95/503512195.db2.gz WSIWTPCHUWZRRC-SQNIBIBYSA-N 2 1 374.529 3.026 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccc([C@H](C)[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000499924224 503512198 /nfs/dbraw/zinc/51/21/98/503512198.db2.gz WSIWTPCHUWZRRC-SQNIBIBYSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000494458449 503545126 /nfs/dbraw/zinc/54/51/26/503545126.db2.gz SASKSWXRAFIHSN-SVMVAKDDSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000494458449 503545130 /nfs/dbraw/zinc/54/51/30/503545130.db2.gz SASKSWXRAFIHSN-SVMVAKDDSA-N 2 1 369.553 3.408 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000494458449 503545135 /nfs/dbraw/zinc/54/51/35/503545135.db2.gz SASKSWXRAFIHSN-SVMVAKDDSA-N 2 1 369.553 3.408 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704735 503546621 /nfs/dbraw/zinc/54/66/21/503546621.db2.gz WXRVSAHDBCPKIT-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)cc1 ZINC000508704735 503546625 /nfs/dbraw/zinc/54/66/25/503546625.db2.gz WXRVSAHDBCPKIT-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000508704735 503546628 /nfs/dbraw/zinc/54/66/28/503546628.db2.gz WXRVSAHDBCPKIT-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508704735 503546631 /nfs/dbraw/zinc/54/66/31/503546631.db2.gz WXRVSAHDBCPKIT-DENIHFKCSA-N 2 1 365.521 3.206 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(F)cc(F)cc3[C@H]2C)CC1 ZINC000500118188 503558506 /nfs/dbraw/zinc/55/85/06/503558506.db2.gz SOMMLPRNWZZZMR-MRXNPFEDSA-N 2 1 351.485 3.300 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3c(F)cc(F)cc3[C@@H]2C)CC1 ZINC000500118187 503558531 /nfs/dbraw/zinc/55/85/31/503558531.db2.gz SOMMLPRNWZZZMR-INIZCTEOSA-N 2 1 351.485 3.300 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000500134110 503561996 /nfs/dbraw/zinc/56/19/96/503561996.db2.gz RECUHPKXAOAEPT-OALUTQOASA-N 2 1 374.573 3.448 20 0 FGADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000500230978 503584395 /nfs/dbraw/zinc/58/43/95/503584395.db2.gz AARNIEJEFYKSNX-NRFANRHFSA-N 2 1 357.542 3.137 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000516845774 503597936 /nfs/dbraw/zinc/59/79/36/503597936.db2.gz LGXUCABMUFEXOG-MSOLQXFVSA-N 2 1 374.529 3.206 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)CC1 ZINC000516845774 503597939 /nfs/dbraw/zinc/59/79/39/503597939.db2.gz LGXUCABMUFEXOG-MSOLQXFVSA-N 2 1 374.529 3.206 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000512654074 503604133 /nfs/dbraw/zinc/60/41/33/503604133.db2.gz JCFCNSNEWXKXNJ-BHDDXSALSA-N 2 1 369.553 3.279 20 0 FGADMP CSc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1 ZINC000517025448 503646800 /nfs/dbraw/zinc/64/68/00/503646800.db2.gz SNTUURXGESPZRD-ZWKOTPCHSA-N 2 1 366.571 3.106 20 0 FGADMP Cc1ccccc1[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000495078937 503661748 /nfs/dbraw/zinc/66/17/48/503661748.db2.gz LNCFSKOLRLFWFX-CTNGQTDRSA-N 2 1 357.542 3.403 20 0 FGADMP C[NH+](C)CCOC1CC[NH+](Cc2csc(-c3ccc(F)cc3)n2)CC1 ZINC000536675413 503674187 /nfs/dbraw/zinc/67/41/87/503674187.db2.gz LSLVGBIJGAVIJW-UHFFFAOYSA-N 2 1 363.502 3.492 20 0 FGADMP CCC1(C[NH2+]C2CC[NH+](CCOC)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000540142259 503687076 /nfs/dbraw/zinc/68/70/76/503687076.db2.gz WAKMNESVKGDIHB-UHFFFAOYSA-N 3 1 373.585 3.379 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2C(F)(F)F)[C@H](C)C1 ZINC000540158775 503693091 /nfs/dbraw/zinc/69/30/91/503693091.db2.gz YESUSBVIYBIQKW-RKVPGOIHSA-N 2 1 358.448 3.176 20 0 FGADMP COCC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1 ZINC000540169603 503696009 /nfs/dbraw/zinc/69/60/09/503696009.db2.gz FLBIOZKHQSXDDX-FUHIMQAGSA-N 2 1 352.494 3.382 20 0 FGADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]4[C@@H](CCC[NH+]4C)C3)CC2)c1 ZINC000536731994 503701910 /nfs/dbraw/zinc/70/19/10/503701910.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)CC2)c1 ZINC000536731994 503701916 /nfs/dbraw/zinc/70/19/16/503701916.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 2 1 358.526 3.408 20 0 FGADMP COCc1cccc(OCC2(C[NH+]3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)CC2)c1 ZINC000536731994 503701919 /nfs/dbraw/zinc/70/19/19/503701919.db2.gz WDTWFTBPGNNCNY-FPOVZHCZSA-N 2 1 358.526 3.408 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4c(c3)OCCO4)CC2)C[C@H](C)O1 ZINC000533023574 503703622 /nfs/dbraw/zinc/70/36/22/503703622.db2.gz RBERGZIGLALGGE-HDICACEKSA-N 2 1 374.525 3.169 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000527190904 503712430 /nfs/dbraw/zinc/71/24/30/503712430.db2.gz QMRCKFFGCSCNTE-MRXNPFEDSA-N 2 1 352.544 3.205 20 0 FGADMP Cc1cc(C[NH+]2CCC(OCC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c(C)s1 ZINC000540247196 503722924 /nfs/dbraw/zinc/72/29/24/503722924.db2.gz MFDPUGMXOKXSTM-HOTGVXAUSA-N 2 1 366.571 3.455 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)[C@@H](C)C1 ZINC000543405472 503757119 /nfs/dbraw/zinc/75/71/19/503757119.db2.gz XINKYULUWROKSN-SEONNTABSA-N 2 1 357.542 3.298 20 0 FGADMP Cc1nn(C)cc1C[NH2+]CCc1ccc(OCC[N@@H+]2C[C@H](C)[C@H](C)C2)cc1 ZINC000537023782 503779477 /nfs/dbraw/zinc/77/94/77/503779477.db2.gz MQISBNWPTPQAPG-HDICACEKSA-N 2 1 370.541 3.027 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CCc2ccccc2)C2CCCC2)CC1 ZINC000533286553 503791409 /nfs/dbraw/zinc/79/14/09/503791409.db2.gz HJPUHIRVPRXOMZ-UHFFFAOYSA-N 2 1 357.542 3.074 20 0 FGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000540504448 503795506 /nfs/dbraw/zinc/79/55/06/503795506.db2.gz FUYRPEAYDPEPRQ-SIKLNZKXSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000540504448 503795513 /nfs/dbraw/zinc/79/55/13/503795513.db2.gz FUYRPEAYDPEPRQ-SIKLNZKXSA-N 2 1 359.558 3.179 20 0 FGADMP CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)(c2ccccc2)CC1 ZINC000530024891 503798628 /nfs/dbraw/zinc/79/86/28/503798628.db2.gz AFNOBJMRHUOFPX-OAQYLSRUSA-N 2 1 369.553 3.173 20 0 FGADMP COC(=O)c1coc(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)c1 ZINC000543634402 503835773 /nfs/dbraw/zinc/83/57/73/503835773.db2.gz ZCCQXKCFWIZPEJ-SJLPKXTDSA-N 2 1 356.466 3.457 20 0 FGADMP C[C@@H](NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1Cl ZINC000533431527 503842461 /nfs/dbraw/zinc/84/24/61/503842461.db2.gz OTNWQZPBVWXQST-KGLIPLIRSA-N 2 1 372.340 3.444 20 0 FGADMP C[C@@H](CNC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1)[N@@H+](C)C1CC1 ZINC000517910713 503864232 /nfs/dbraw/zinc/86/42/32/503864232.db2.gz LARRITPKNRBSMR-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]1OC ZINC000537293990 503871222 /nfs/dbraw/zinc/87/12/22/503871222.db2.gz POOIMFKQLOZHMV-BQJUDKOJSA-N 2 1 360.542 3.053 20 0 FGADMP CCC1(CC)[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C[C@@H]1OC ZINC000537293990 503871226 /nfs/dbraw/zinc/87/12/26/503871226.db2.gz POOIMFKQLOZHMV-BQJUDKOJSA-N 2 1 360.542 3.053 20 0 FGADMP CC(C)(C)C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1 ZINC000537293256 503871341 /nfs/dbraw/zinc/87/13/41/503871341.db2.gz KEQKVYYSQONRLL-HKUYNNGSSA-N 2 1 363.521 3.480 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000518081831 503905060 /nfs/dbraw/zinc/90/50/60/503905060.db2.gz YZKXMFCFSWYIDM-BGYRXZFFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000518081831 503905068 /nfs/dbraw/zinc/90/50/68/503905068.db2.gz YZKXMFCFSWYIDM-BGYRXZFFSA-N 2 1 372.557 3.167 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000518081831 503905073 /nfs/dbraw/zinc/90/50/73/503905073.db2.gz YZKXMFCFSWYIDM-BGYRXZFFSA-N 2 1 372.557 3.167 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000530281432 503907002 /nfs/dbraw/zinc/90/70/02/503907002.db2.gz AZJIJUZNNJLYQV-UHFFFAOYSA-N 2 1 363.465 3.111 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000540903810 503931543 /nfs/dbraw/zinc/93/15/43/503931543.db2.gz UUZJYNOCZRMIHF-NQIIRXRSSA-N 2 1 365.525 3.077 20 0 FGADMP C[C@@H]([NH2+]Cc1cnc(N2CCCC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000540903810 503931546 /nfs/dbraw/zinc/93/15/46/503931546.db2.gz UUZJYNOCZRMIHF-NQIIRXRSSA-N 2 1 365.525 3.077 20 0 FGADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccc3cc[nH]c32)c2cccs2)CC1 ZINC000518247846 503936158 /nfs/dbraw/zinc/93/61/58/503936158.db2.gz IHFMRFUDUTWTON-SFHVURJKSA-N 2 1 354.523 3.308 20 0 FGADMP C[N@H+]1CCCC12CCN(C(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1)CC2 ZINC000546974809 503944088 /nfs/dbraw/zinc/94/40/88/503944088.db2.gz GRPUQBJSVCQERN-FQEVSTJZSA-N 2 1 355.526 3.128 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1)CC2 ZINC000546974809 503944094 /nfs/dbraw/zinc/94/40/94/503944094.db2.gz GRPUQBJSVCQERN-FQEVSTJZSA-N 2 1 355.526 3.128 20 0 FGADMP C[NH+]1CCCC12CCN(C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1)CC2 ZINC000546974809 503944098 /nfs/dbraw/zinc/94/40/98/503944098.db2.gz GRPUQBJSVCQERN-FQEVSTJZSA-N 2 1 355.526 3.128 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)C(=O)N2CCCC2)cc1 ZINC000528013474 504039849 /nfs/dbraw/zinc/03/98/49/504039849.db2.gz FILMDDLPISTFHF-INIZCTEOSA-N 2 1 354.498 3.480 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000541220853 504048577 /nfs/dbraw/zinc/04/85/77/504048577.db2.gz APYQSPUSWJGTOP-UYAOXDASSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)cc1 ZINC000541220853 504048582 /nfs/dbraw/zinc/04/85/82/504048582.db2.gz APYQSPUSWJGTOP-UYAOXDASSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)cc1 ZINC000541220853 504048588 /nfs/dbraw/zinc/04/85/88/504048588.db2.gz APYQSPUSWJGTOP-UYAOXDASSA-N 2 1 374.525 3.325 20 0 FGADMP COC(=O)COc1ccc(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000541220853 504048593 /nfs/dbraw/zinc/04/85/93/504048593.db2.gz APYQSPUSWJGTOP-UYAOXDASSA-N 2 1 374.525 3.325 20 0 FGADMP COc1ccccc1/C=C\C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000518748308 504053745 /nfs/dbraw/zinc/05/37/45/504053745.db2.gz KPUWWKYHDZUSTK-ZXYDQQDNSA-N 2 1 371.550 3.348 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000544367820 504105693 /nfs/dbraw/zinc/10/56/93/504105693.db2.gz IIJWSNSDJZDVJH-QFIPXVFZSA-N 2 1 359.558 3.080 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000518985192 504110834 /nfs/dbraw/zinc/11/08/34/504110834.db2.gz QNCKBHWHNVROOZ-VXPBHUBDSA-N 2 1 369.553 3.278 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1 ZINC000538192943 504157335 /nfs/dbraw/zinc/15/73/35/504157335.db2.gz LPLUJUMCVNBCDI-AWEZNQCLSA-N 2 1 353.869 3.048 20 0 FGADMP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000541542515 504170390 /nfs/dbraw/zinc/17/03/90/504170390.db2.gz YYZJLWABUBABLX-NRFANRHFSA-N 2 1 374.479 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC000544555687 504172657 /nfs/dbraw/zinc/17/26/57/504172657.db2.gz JQWZYZFIDOAEHR-SIKLNZKXSA-N 2 1 371.569 3.178 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000519311727 504188974 /nfs/dbraw/zinc/18/89/74/504188974.db2.gz NQNJYZFSBGGCQI-ALFLXDJESA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000519311727 504188976 /nfs/dbraw/zinc/18/89/76/504188976.db2.gz NQNJYZFSBGGCQI-ALFLXDJESA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OC)C[C@@H]3C)c2)[C@H](C)C1 ZINC000519311727 504188980 /nfs/dbraw/zinc/18/89/80/504188980.db2.gz NQNJYZFSBGGCQI-ALFLXDJESA-N 2 1 361.530 3.080 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528369996 504192524 /nfs/dbraw/zinc/19/25/24/504192524.db2.gz AYIUZBRUBIXFRQ-UHFFFAOYSA-N 2 1 355.885 3.470 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(F)c2)CC1 ZINC000528369996 504192525 /nfs/dbraw/zinc/19/25/25/504192525.db2.gz AYIUZBRUBIXFRQ-UHFFFAOYSA-N 2 1 355.885 3.470 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000519382360 504208442 /nfs/dbraw/zinc/20/84/42/504208442.db2.gz XUCHZYVWWFQULJ-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1c1ccc3c(c1)OCCO3)C[NH2+]CC2 ZINC000519411533 504215607 /nfs/dbraw/zinc/21/56/07/504215607.db2.gz KTSWPKPEGMYTGQ-FQEVSTJZSA-N 2 1 350.462 3.441 20 0 FGADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000544683970 504216892 /nfs/dbraw/zinc/21/68/92/504216892.db2.gz ZEDLDVNYCWXDGQ-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683970 504216897 /nfs/dbraw/zinc/21/68/97/504216897.db2.gz ZEDLDVNYCWXDGQ-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC[NH+]1Cc1ccccc1 ZINC000544683970 504216903 /nfs/dbraw/zinc/21/69/03/504216903.db2.gz ZEDLDVNYCWXDGQ-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000544701056 504224755 /nfs/dbraw/zinc/22/47/55/504224755.db2.gz GOCUXWILWCKSCF-HXUWFJFHSA-N 2 1 365.525 3.425 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000544701056 504224762 /nfs/dbraw/zinc/22/47/62/504224762.db2.gz GOCUXWILWCKSCF-HXUWFJFHSA-N 2 1 365.525 3.425 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000519483981 504230626 /nfs/dbraw/zinc/23/06/26/504230626.db2.gz PHGPKERRXIFDFT-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000519483981 504230630 /nfs/dbraw/zinc/23/06/30/504230630.db2.gz PHGPKERRXIFDFT-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000519483981 504230632 /nfs/dbraw/zinc/23/06/32/504230632.db2.gz PHGPKERRXIFDFT-LEWJYISDSA-N 2 1 372.557 3.215 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000519489335 504232042 /nfs/dbraw/zinc/23/20/42/504232042.db2.gz LQXPNMSNLUMUND-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)[C@]12CCCO2 ZINC000544832732 504274200 /nfs/dbraw/zinc/27/42/00/504274200.db2.gz MYIFUDPPRPNXQL-MIUGBVLSSA-N 2 1 358.526 3.213 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[C@]12CCCO2 ZINC000544832732 504274205 /nfs/dbraw/zinc/27/42/05/504274205.db2.gz MYIFUDPPRPNXQL-MIUGBVLSSA-N 2 1 358.526 3.213 20 0 FGADMP CN(CCC(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1)c1cc[nH+]cc1 ZINC000541854836 504278210 /nfs/dbraw/zinc/27/82/10/504278210.db2.gz PPUKADZOXGQSHR-UHFFFAOYSA-N 2 1 366.509 3.031 20 0 FGADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528580699 504282156 /nfs/dbraw/zinc/28/21/56/504282156.db2.gz HQNAQSHTQDIBEH-UHFFFAOYSA-N 2 1 357.502 3.348 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378471 504285998 /nfs/dbraw/zinc/28/59/98/504285998.db2.gz NZIIFSAFXZCOGL-IHPCNDPISA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378471 504286004 /nfs/dbraw/zinc/28/60/04/504286004.db2.gz NZIIFSAFXZCOGL-IHPCNDPISA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378471 504286010 /nfs/dbraw/zinc/28/60/10/504286010.db2.gz NZIIFSAFXZCOGL-IHPCNDPISA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000531381570 504287683 /nfs/dbraw/zinc/28/76/83/504287683.db2.gz LILGJKKVRLDQBY-HXUWFJFHSA-N 2 1 362.558 3.448 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2C)CC1 ZINC000531381570 504287689 /nfs/dbraw/zinc/28/76/89/504287689.db2.gz LILGJKKVRLDQBY-HXUWFJFHSA-N 2 1 362.558 3.448 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCOc1ccc(Br)cc1 ZINC000534955829 504293038 /nfs/dbraw/zinc/29/30/38/504293038.db2.gz MMILBDZLNHBIRL-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000534955829 504293040 /nfs/dbraw/zinc/29/30/40/504293040.db2.gz MMILBDZLNHBIRL-UHFFFAOYSA-N 2 1 352.276 3.355 20 0 FGADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(Cl)s1 ZINC000531401526 504294588 /nfs/dbraw/zinc/29/45/88/504294588.db2.gz UTVSGWQSKZMACB-LBPRGKRZSA-N 2 1 364.902 3.291 20 0 FGADMP CCCCNC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967997 504296111 /nfs/dbraw/zinc/29/61/11/504296111.db2.gz WKZJJPSZAVWOCN-IBGZPJMESA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@@H+]1Cc1ccccc1 ZINC000538616115 504304646 /nfs/dbraw/zinc/30/46/46/504304646.db2.gz VEOAHQAEELORNR-HKUYNNGSSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccccn2)CC[N@H+]1Cc1ccccc1 ZINC000538616115 504304655 /nfs/dbraw/zinc/30/46/55/504304655.db2.gz VEOAHQAEELORNR-HKUYNNGSSA-N 2 1 352.482 3.053 20 0 FGADMP OC[C@H]1CCC2(CCOCC2)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000528643057 504309701 /nfs/dbraw/zinc/30/97/01/504309701.db2.gz ZGDNVGNLVKBAAW-JOCHJYFZSA-N 2 1 372.553 3.426 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528657040 504316091 /nfs/dbraw/zinc/31/60/91/504316091.db2.gz QOGKVXKAYRXDQB-CWJKEVGVSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528657040 504316096 /nfs/dbraw/zinc/31/60/96/504316096.db2.gz QOGKVXKAYRXDQB-CWJKEVGVSA-N 2 1 357.542 3.134 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528657040 504316103 /nfs/dbraw/zinc/31/61/03/504316103.db2.gz QOGKVXKAYRXDQB-CWJKEVGVSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548065341 504316667 /nfs/dbraw/zinc/31/66/67/504316667.db2.gz YUXUTNVOJNLCBO-GOSISDBHSA-N 2 1 372.557 3.378 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000531531984 504336626 /nfs/dbraw/zinc/33/66/26/504336626.db2.gz MXFMAJOIXNWMIS-FQEVSTJZSA-N 3 1 358.574 3.040 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)CC1 ZINC000535085965 504339708 /nfs/dbraw/zinc/33/97/08/504339708.db2.gz NKYISMSNNLVTLQ-FQEVSTJZSA-N 2 1 363.590 3.469 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528715242 504346080 /nfs/dbraw/zinc/34/60/80/504346080.db2.gz NMNBOPXIAADRHV-IYBDPMFKSA-N 2 1 374.529 3.047 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528728062 504351818 /nfs/dbraw/zinc/35/18/18/504351818.db2.gz IJQQXENYHABMEY-HSZRJFAPSA-N 2 1 371.569 3.262 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923065 504384082 /nfs/dbraw/zinc/38/40/82/504384082.db2.gz GJVAATNUUOZKCK-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000519923065 504384086 /nfs/dbraw/zinc/38/40/86/504384086.db2.gz GJVAATNUUOZKCK-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000519923065 504384092 /nfs/dbraw/zinc/38/40/92/504384092.db2.gz GJVAATNUUOZKCK-QGZVFWFLSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(C)(C)c2ccccc2)CC1 ZINC000520000710 504396509 /nfs/dbraw/zinc/39/65/09/504396509.db2.gz BUBCQAOGXNSWFG-UHFFFAOYSA-N 2 1 352.482 3.140 20 0 FGADMP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000545246262 504413602 /nfs/dbraw/zinc/41/36/02/504413602.db2.gz JCKUMTBZDRIYCI-QZTJIDSGSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000520114761 504414330 /nfs/dbraw/zinc/41/43/30/504414330.db2.gz HCQFVWKKFKCUGW-CEXWTWQISA-N 2 1 374.573 3.304 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000531804753 504430279 /nfs/dbraw/zinc/43/02/79/504430279.db2.gz SKEPVQTWRMATBC-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804753 504430284 /nfs/dbraw/zinc/43/02/84/504430284.db2.gz SKEPVQTWRMATBC-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804753 504430287 /nfs/dbraw/zinc/43/02/87/504430287.db2.gz SKEPVQTWRMATBC-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000542302972 504442989 /nfs/dbraw/zinc/44/29/89/504442989.db2.gz DOWDUDLCVKNLTF-QHCPKHFHSA-N 2 1 361.489 3.270 20 0 FGADMP Cc1cc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc2cccnc12 ZINC000542302972 504442994 /nfs/dbraw/zinc/44/29/94/504442994.db2.gz DOWDUDLCVKNLTF-QHCPKHFHSA-N 2 1 361.489 3.270 20 0 FGADMP COC1CC[NH+](C(C)(C)CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483523 504461967 /nfs/dbraw/zinc/46/19/67/504461967.db2.gz CDDVQYRHYLNWGH-FPOVZHCZSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548483523 504461971 /nfs/dbraw/zinc/46/19/71/504461971.db2.gz CDDVQYRHYLNWGH-FPOVZHCZSA-N 2 1 373.585 3.376 20 0 FGADMP COC1CCN(C(C)(C)C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000548483523 504461974 /nfs/dbraw/zinc/46/19/74/504461974.db2.gz CDDVQYRHYLNWGH-FPOVZHCZSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC000539093316 504470376 /nfs/dbraw/zinc/47/03/76/504470376.db2.gz KXMCIIIYUGQGBZ-RVKKMQEKSA-N 2 1 366.347 3.205 20 0 FGADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000520348477 504474284 /nfs/dbraw/zinc/47/42/84/504474284.db2.gz WWPQILZLHQMEMM-OTYNDTSQSA-N 2 1 355.526 3.173 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000520348477 504474286 /nfs/dbraw/zinc/47/42/86/504474286.db2.gz WWPQILZLHQMEMM-OTYNDTSQSA-N 2 1 355.526 3.173 20 0 FGADMP CCC[NH+]1CCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000520348477 504474289 /nfs/dbraw/zinc/47/42/89/504474289.db2.gz WWPQILZLHQMEMM-OTYNDTSQSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000520406025 504491280 /nfs/dbraw/zinc/49/12/80/504491280.db2.gz SJCVEYBEVBLQBC-LJQANCHMSA-N 2 1 366.594 3.404 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980888 504493424 /nfs/dbraw/zinc/49/34/24/504493424.db2.gz BVDAQLRFKDGGCC-KCQAQPDRSA-N 2 1 353.894 3.138 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980888 504493428 /nfs/dbraw/zinc/49/34/28/504493428.db2.gz BVDAQLRFKDGGCC-KCQAQPDRSA-N 2 1 353.894 3.138 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454710 504495027 /nfs/dbraw/zinc/49/50/27/504495027.db2.gz MWJLLOKPZZFAPZ-FXAWDEMLSA-N 2 1 361.505 3.171 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1)[NH+]1CCCCC1 ZINC000542454710 504495031 /nfs/dbraw/zinc/49/50/31/504495031.db2.gz MWJLLOKPZZFAPZ-FXAWDEMLSA-N 2 1 361.505 3.171 20 0 FGADMP COc1ccc(C2CCC([NH2+]CCCN3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000542475576 504505460 /nfs/dbraw/zinc/50/54/60/504505460.db2.gz ZVLZNIYVQLETFF-UHFFFAOYSA-N 2 1 359.558 3.339 20 0 FGADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C[C@H](C)O1 ZINC000542495546 504513106 /nfs/dbraw/zinc/51/31/06/504513106.db2.gz XPIXLCZQFSZRHA-FVJLSDCUSA-N 2 1 372.488 3.184 20 0 FGADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)C[C@H](C)O1 ZINC000542495546 504513111 /nfs/dbraw/zinc/51/31/11/504513111.db2.gz XPIXLCZQFSZRHA-FVJLSDCUSA-N 2 1 372.488 3.184 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000542534341 504529932 /nfs/dbraw/zinc/52/99/32/504529932.db2.gz STQABIYTYDCYDE-CMKODMSKSA-N 2 1 357.542 3.449 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000542534341 504529937 /nfs/dbraw/zinc/52/99/37/504529937.db2.gz STQABIYTYDCYDE-CMKODMSKSA-N 2 1 357.542 3.449 20 0 FGADMP CC[C@@H](C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCC1 ZINC000539364919 504541848 /nfs/dbraw/zinc/54/18/48/504541848.db2.gz JHGWVCBSOUOHMT-AZUAARDMSA-N 2 1 357.542 3.439 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000532134389 504545618 /nfs/dbraw/zinc/54/56/18/504545618.db2.gz ATCQSNMXBUCDLH-IBGZPJMESA-N 2 1 357.542 3.267 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ncc(-c4ccccc4)s3)C2)CC1 ZINC000539405340 504559993 /nfs/dbraw/zinc/55/99/93/504559993.db2.gz UPHZKOQMRRWEHU-LJQANCHMSA-N 2 1 370.566 3.410 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ncc(-c4ccccc4)s3)C2)CC1 ZINC000539405340 504559996 /nfs/dbraw/zinc/55/99/96/504559996.db2.gz UPHZKOQMRRWEHU-LJQANCHMSA-N 2 1 370.566 3.410 20 0 FGADMP CC1(C)CCCC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000532226029 504578896 /nfs/dbraw/zinc/57/88/96/504578896.db2.gz QGMWKCICLRWUNC-PMACEKPBSA-N 2 1 357.542 3.442 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520806291 504586084 /nfs/dbraw/zinc/58/60/84/504586084.db2.gz NFAKUTALODYROM-SCTDSRPQSA-N 2 1 367.896 3.119 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000520806291 504586087 /nfs/dbraw/zinc/58/60/87/504586087.db2.gz NFAKUTALODYROM-SCTDSRPQSA-N 2 1 367.896 3.119 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000520887484 504603411 /nfs/dbraw/zinc/60/34/11/504603411.db2.gz WPUQHAIPWSHRFO-UXHICEINSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000520887484 504603415 /nfs/dbraw/zinc/60/34/15/504603415.db2.gz WPUQHAIPWSHRFO-UXHICEINSA-N 2 1 366.594 3.452 20 0 FGADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000520887484 504603420 /nfs/dbraw/zinc/60/34/20/504603420.db2.gz WPUQHAIPWSHRFO-UXHICEINSA-N 2 1 366.594 3.452 20 0 FGADMP CC(C)COc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000521116862 504653821 /nfs/dbraw/zinc/65/38/21/504653821.db2.gz ZODLUCXPJCQOJS-CBQGHPETSA-N 2 1 371.569 3.464 20 0 FGADMP CC(C)COc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000521116862 504653828 /nfs/dbraw/zinc/65/38/28/504653828.db2.gz ZODLUCXPJCQOJS-CBQGHPETSA-N 2 1 371.569 3.464 20 0 FGADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)CCC(F)(F)F ZINC000549100928 504685966 /nfs/dbraw/zinc/68/59/66/504685966.db2.gz OUTUCRRVZBNSJS-UHFFFAOYSA-N 2 1 371.447 3.287 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccsc2Br)C1 ZINC000529534039 504718158 /nfs/dbraw/zinc/71/81/58/504718158.db2.gz YKSKJGXJGVDHSL-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccsc2Br)C1 ZINC000529534039 504718166 /nfs/dbraw/zinc/71/81/66/504718166.db2.gz YKSKJGXJGVDHSL-AWEZNQCLSA-N 2 1 361.349 3.443 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccc4c3OCCO4)CC2)C[C@H](C)O1 ZINC000539861311 504721198 /nfs/dbraw/zinc/72/11/98/504721198.db2.gz KAIJTWXIHHXAQT-HDICACEKSA-N 2 1 374.525 3.169 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000521385050 504724064 /nfs/dbraw/zinc/72/40/64/504724064.db2.gz ABCUZSDPCPQOBT-SFTDATJTSA-N 2 1 370.541 3.463 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000546154732 504728973 /nfs/dbraw/zinc/72/89/73/504728973.db2.gz BPRHQDQGLFHFQI-UHFFFAOYSA-N 2 1 366.594 3.262 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584625 504765754 /nfs/dbraw/zinc/76/57/54/504765754.db2.gz VYZVCDWBWIYLKT-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584625 504765757 /nfs/dbraw/zinc/76/57/57/504765757.db2.gz VYZVCDWBWIYLKT-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1)CC1CC1 ZINC000536584625 504765759 /nfs/dbraw/zinc/76/57/59/504765759.db2.gz VYZVCDWBWIYLKT-PXNSSMCTSA-N 2 1 364.578 3.013 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000562358139 504794187 /nfs/dbraw/zinc/79/41/87/504794187.db2.gz ZCHAJRVBEZUKKT-LJQANCHMSA-N 2 1 371.525 3.416 20 0 FGADMP CC(=O)c1ccccc1NC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000562358139 504794191 /nfs/dbraw/zinc/79/41/91/504794191.db2.gz ZCHAJRVBEZUKKT-LJQANCHMSA-N 2 1 371.525 3.416 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556117690 504800051 /nfs/dbraw/zinc/80/00/51/504800051.db2.gz FMQMQHAVHZDAQZ-UGKGYDQZSA-N 2 1 367.493 3.449 20 0 FGADMP CC(=O)Nc1cccc(OCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000556117690 504800055 /nfs/dbraw/zinc/80/00/55/504800055.db2.gz FMQMQHAVHZDAQZ-UGKGYDQZSA-N 2 1 367.493 3.449 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)CC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000559261215 504813007 /nfs/dbraw/zinc/81/30/07/504813007.db2.gz LBINZIZOJDNPIU-AZUAARDMSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](n2cncn2)C1 ZINC000556243331 504827247 /nfs/dbraw/zinc/82/72/47/504827247.db2.gz BOZMGUBCYKWUEV-BVOGOJNSSA-N 2 1 353.514 3.120 20 0 FGADMP C[C@H](C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000553172694 504844662 /nfs/dbraw/zinc/84/46/62/504844662.db2.gz YYEVDEBPDCDMAC-VLVHOKLOSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H](C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172694 504844664 /nfs/dbraw/zinc/84/46/64/504844664.db2.gz YYEVDEBPDCDMAC-VLVHOKLOSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@H](C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000553172694 504844670 /nfs/dbraw/zinc/84/46/70/504844670.db2.gz YYEVDEBPDCDMAC-VLVHOKLOSA-N 2 1 369.553 3.372 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000553328962 504885209 /nfs/dbraw/zinc/88/52/09/504885209.db2.gz PFYDYGBOSIQVPJ-SJBKTWHCSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000549755358 504889259 /nfs/dbraw/zinc/88/92/59/504889259.db2.gz VIGLPOIKOBZHEU-MRXNPFEDSA-N 2 1 367.484 3.120 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000549766122 504891995 /nfs/dbraw/zinc/89/19/95/504891995.db2.gz GOVUXKHSQJQBEO-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000549766122 504891997 /nfs/dbraw/zinc/89/19/97/504891997.db2.gz GOVUXKHSQJQBEO-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000549766122 504891999 /nfs/dbraw/zinc/89/19/99/504891999.db2.gz GOVUXKHSQJQBEO-UXHICEINSA-N 2 1 357.542 3.374 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732259 504917613 /nfs/dbraw/zinc/91/76/13/504917613.db2.gz FKDSTQSCDWRBBA-FCHUYYIVSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)C[C@@H]1c1ccccc1 ZINC000559732259 504917619 /nfs/dbraw/zinc/91/76/19/504917619.db2.gz FKDSTQSCDWRBBA-FCHUYYIVSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@H]1c1ccccc1 ZINC000559754196 504922582 /nfs/dbraw/zinc/92/25/82/504922582.db2.gz WQVHKPABFYDYEN-PMACEKPBSA-N 2 1 367.541 3.362 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)C[C@H]1c1ccccc1 ZINC000559754196 504922589 /nfs/dbraw/zinc/92/25/89/504922589.db2.gz WQVHKPABFYDYEN-PMACEKPBSA-N 2 1 367.541 3.362 20 0 FGADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000559767052 504925084 /nfs/dbraw/zinc/92/50/84/504925084.db2.gz NIPVZZPUUVZRIX-ICSRJNTNSA-N 2 1 350.934 3.488 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000556762220 504966265 /nfs/dbraw/zinc/96/62/65/504966265.db2.gz NTDWAPZVLKVQQB-OAHLLOKOSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000556762220 504966268 /nfs/dbraw/zinc/96/62/68/504966268.db2.gz NTDWAPZVLKVQQB-OAHLLOKOSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000556762219 504966461 /nfs/dbraw/zinc/96/64/61/504966461.db2.gz NTDWAPZVLKVQQB-HNNXBMFYSA-N 2 1 372.296 3.260 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000556762219 504966464 /nfs/dbraw/zinc/96/64/64/504966464.db2.gz NTDWAPZVLKVQQB-HNNXBMFYSA-N 2 1 372.296 3.260 20 0 FGADMP CC[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000550128116 504972994 /nfs/dbraw/zinc/97/29/94/504972994.db2.gz YJWSTJTYIUAJGZ-YADHBBJMSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128116 504972999 /nfs/dbraw/zinc/97/29/99/504972999.db2.gz YJWSTJTYIUAJGZ-YADHBBJMSA-N 2 1 365.521 3.288 20 0 FGADMP CC[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)Cc1ccccc1 ZINC000550128116 504973005 /nfs/dbraw/zinc/97/30/05/504973005.db2.gz YJWSTJTYIUAJGZ-YADHBBJMSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](NC(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000562878775 504973897 /nfs/dbraw/zinc/97/38/97/504973897.db2.gz ZZUBUVQAHTUPPP-HBFSDRIKSA-N 2 1 360.546 3.242 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000560063067 504982661 /nfs/dbraw/zinc/98/26/61/504982661.db2.gz NLMKPQFKCWMITF-GMAHTHKFSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2N2CCOCC2)C[C@H]1c1ccccc1 ZINC000560063067 504982663 /nfs/dbraw/zinc/98/26/63/504982663.db2.gz NLMKPQFKCWMITF-GMAHTHKFSA-N 2 1 365.521 3.448 20 0 FGADMP CNC(=O)C(C)(C)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000556885989 505006565 /nfs/dbraw/zinc/00/65/65/505006565.db2.gz KDNUJPUOQOXSOO-HSALFYBXSA-N 2 1 357.542 3.039 20 0 FGADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)COc1ccc(-c2ccccc2)cc1 ZINC000562987324 505010968 /nfs/dbraw/zinc/01/09/68/505010968.db2.gz GTMBCVTXSZYRSR-GCJKJVERSA-N 2 1 366.505 3.167 20 0 FGADMP COc1sc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000563134937 505057369 /nfs/dbraw/zinc/05/73/69/505057369.db2.gz APXCOJWVZFEQJP-GFCCVEGCSA-N 2 1 359.333 3.341 20 0 FGADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc(C(F)(F)F)c1 ZINC000563149520 505060719 /nfs/dbraw/zinc/06/07/19/505060719.db2.gz JOGVWGXSNCVLIC-KRWDZBQOSA-N 2 1 355.404 3.110 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@H]3COc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000550607120 505072385 /nfs/dbraw/zinc/07/23/85/505072385.db2.gz NTFYAQINOUZFRY-KGVIQGDOSA-N 2 1 366.505 3.389 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621081 505075136 /nfs/dbraw/zinc/07/51/36/505075136.db2.gz BPDIIDCRSVCVPH-DYESRHJHSA-N 2 1 352.478 3.001 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3COc4ccccc4C3)c2)CCO1 ZINC000550621081 505075140 /nfs/dbraw/zinc/07/51/40/505075140.db2.gz BPDIIDCRSVCVPH-DYESRHJHSA-N 2 1 352.478 3.001 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccccc3Oc3ccccc3)C2)nn1 ZINC000557339635 505111125 /nfs/dbraw/zinc/11/11/25/505111125.db2.gz YHMXQEZJCWGVBH-LJQANCHMSA-N 2 1 363.465 3.366 20 0 FGADMP CCC[C@@H](C)C(=O)NCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000550837490 505112364 /nfs/dbraw/zinc/11/23/64/505112364.db2.gz YOCHGRWDPQHJBA-AYWYSENESA-N 2 1 357.542 3.324 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1)c1cccc(Cl)c1 ZINC000566209511 505112561 /nfs/dbraw/zinc/11/25/61/505112561.db2.gz XJSZYHSTOBYSQU-ZWKOTPCHSA-N 2 1 363.933 3.179 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccc2-n2ccnn2)[C@H](C)C1 ZINC000560524570 505114992 /nfs/dbraw/zinc/11/49/92/505114992.db2.gz GKBMMFPHZUOJRU-HBFSDRIKSA-N 2 1 371.529 3.055 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CCO)C2CCOCC2)CC1 ZINC000560548010 505122867 /nfs/dbraw/zinc/12/28/67/505122867.db2.gz BVUBFBBPMOFFSE-HRTMPFAESA-N 2 1 360.542 3.197 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H]1c1ccccc1 ZINC000550995119 505138801 /nfs/dbraw/zinc/13/88/01/505138801.db2.gz BVHGCDHTCSCRKO-RTWAWAEBSA-N 2 1 367.493 3.309 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccoc3)CC2)C[C@H]1c1ccccc1 ZINC000550995119 505138806 /nfs/dbraw/zinc/13/88/06/505138806.db2.gz BVHGCDHTCSCRKO-RTWAWAEBSA-N 2 1 367.493 3.309 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1 ZINC000557460188 505140957 /nfs/dbraw/zinc/14/09/57/505140957.db2.gz UAYLCCBDSJEBIY-ZHALLVOQSA-N 2 1 355.482 3.100 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC[C@@H]3C3CCCC3)CC2)CC1 ZINC000557564334 505168922 /nfs/dbraw/zinc/16/89/22/505168922.db2.gz HDZFEMYXHKWUCO-OAQYLSRUSA-N 2 1 361.574 3.364 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176496 505170867 /nfs/dbraw/zinc/17/08/67/505170867.db2.gz YSPGMAPCDVWIFE-UXHICEINSA-N 2 1 353.514 3.112 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176496 505170871 /nfs/dbraw/zinc/17/08/71/505170871.db2.gz YSPGMAPCDVWIFE-UXHICEINSA-N 2 1 353.514 3.112 20 0 FGADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441290 505177974 /nfs/dbraw/zinc/17/79/74/505177974.db2.gz DEACFGKVXNZFOJ-CRAIPNDOSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000566441290 505177975 /nfs/dbraw/zinc/17/79/75/505177975.db2.gz DEACFGKVXNZFOJ-CRAIPNDOSA-N 2 1 351.922 3.037 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000551238746 505183512 /nfs/dbraw/zinc/18/35/12/505183512.db2.gz DIFZVGJFGABQRS-JTHBVZDNSA-N 2 1 365.521 3.448 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)C[C@@H]1c1ccccc1 ZINC000551238746 505183521 /nfs/dbraw/zinc/18/35/21/505183521.db2.gz DIFZVGJFGABQRS-JTHBVZDNSA-N 2 1 365.521 3.448 20 0 FGADMP Cn1ccnc1[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1F ZINC000554489250 505185915 /nfs/dbraw/zinc/18/59/15/505185915.db2.gz JISWGNUKBNZXLF-DNVCBOLYSA-N 2 1 358.461 3.029 20 0 FGADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000551270528 505190392 /nfs/dbraw/zinc/19/03/92/505190392.db2.gz OEXOOIRIDKMJIW-LVCYWYKZSA-N 2 1 355.530 3.324 20 0 FGADMP Cc1ccc(Cl)c(OC[C@@H](O)C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000563618653 505194294 /nfs/dbraw/zinc/19/42/94/505194294.db2.gz ZOFZWFWICAFZME-ROUUACIJSA-N 2 1 368.949 3.346 20 0 FGADMP COc1cc(F)c([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000560897416 505208777 /nfs/dbraw/zinc/20/87/77/505208777.db2.gz FGLYQCFFGWBJFX-OWCLPIDISA-N 2 1 368.493 3.383 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@H+](C(C)(C)C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000554609464 505221170 /nfs/dbraw/zinc/22/11/70/505221170.db2.gz AAWHRYUEAHFLNT-HKUYNNGSSA-N 2 1 360.546 3.194 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[C@H](C)[C@@H]3C)CC2)CC1 ZINC000566747224 505262897 /nfs/dbraw/zinc/26/28/97/505262897.db2.gz FBMZBKCKEDKKMP-BJLQDIEVSA-N 2 1 363.590 3.371 20 0 FGADMP CC(C)[NH+]1CCC(N(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000551699479 505285636 /nfs/dbraw/zinc/28/56/36/505285636.db2.gz DHQDCZYUZVAXPY-JOCHJYFZSA-N 2 1 359.558 3.082 20 0 FGADMP Cc1ccc2cc(C[NH+]3CCN(C4C[C@H]5CC[C@@H](C4)[N@@H+]5C)CC3)ccc2n1 ZINC000554884450 505289866 /nfs/dbraw/zinc/28/98/66/505289866.db2.gz QGSNRSDCOIWUCY-CBQGHPETSA-N 2 1 364.537 3.286 20 0 FGADMP COc1cc(C(=O)N2CC[NH+](CCCc3cnccc3C)CC2)ccc1C ZINC000564004581 505299792 /nfs/dbraw/zinc/29/97/92/505299792.db2.gz KAEJUCVHZUUZLT-UHFFFAOYSA-N 2 1 367.493 3.098 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977671 505329139 /nfs/dbraw/zinc/32/91/39/505329139.db2.gz XNWLDQOZARDGDO-KRWDZBQOSA-N 2 1 363.571 3.259 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977671 505329145 /nfs/dbraw/zinc/32/91/45/505329145.db2.gz XNWLDQOZARDGDO-KRWDZBQOSA-N 2 1 363.571 3.259 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(=O)NC3CCCC3)C2)s1 ZINC000566977671 505329152 /nfs/dbraw/zinc/32/91/52/505329152.db2.gz XNWLDQOZARDGDO-KRWDZBQOSA-N 2 1 363.571 3.259 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566983044 505330507 /nfs/dbraw/zinc/33/05/07/505330507.db2.gz VGPYPNGHMCBDJW-IBGZPJMESA-N 2 1 355.526 3.032 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 ZINC000566987808 505331577 /nfs/dbraw/zinc/33/15/77/505331577.db2.gz GLASAJUHBFIZPG-OXJNMPFZSA-N 2 1 361.505 3.340 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)[C@H]2CCC[C@@H]21 ZINC000552056615 505383381 /nfs/dbraw/zinc/38/33/81/505383381.db2.gz LIQSDOIZLAEEET-LLVBAIKDSA-N 2 1 360.517 3.362 20 0 FGADMP COc1cc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423160 505386011 /nfs/dbraw/zinc/38/60/11/505386011.db2.gz HDWDZVWRUFXYNF-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423160 505386016 /nfs/dbraw/zinc/38/60/16/505386016.db2.gz HDWDZVWRUFXYNF-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423160 505386021 /nfs/dbraw/zinc/38/60/21/505386021.db2.gz HDWDZVWRUFXYNF-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423160 505386025 /nfs/dbraw/zinc/38/60/25/505386025.db2.gz HDWDZVWRUFXYNF-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(SC)cc1OC ZINC000558423160 505386029 /nfs/dbraw/zinc/38/60/29/505386029.db2.gz HDWDZVWRUFXYNF-GDBMZVCRSA-N 2 1 350.528 3.342 20 0 FGADMP C[C@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1ccncc1F ZINC000567174425 505385998 /nfs/dbraw/zinc/38/59/98/505385998.db2.gz SGKFDMLIMURXHZ-IBGZPJMESA-N 2 1 370.516 3.469 20 0 FGADMP C[NH+]1CCC(CCO)(NCc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000567178554 505386498 /nfs/dbraw/zinc/38/64/98/505386498.db2.gz KGSKHFBXPOVVRU-UHFFFAOYSA-N 2 1 372.484 3.341 20 0 FGADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000567178554 505386503 /nfs/dbraw/zinc/38/65/03/505386503.db2.gz KGSKHFBXPOVVRU-UHFFFAOYSA-N 2 1 372.484 3.341 20 0 FGADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000552086377 505395017 /nfs/dbraw/zinc/39/50/17/505395017.db2.gz FNOQTAMEDYCGPR-AREMUKBSSA-N 2 1 370.562 3.362 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC1CC[NH+](CCOC)CC1)c1ccc(Cl)cc1 ZINC000552090829 505396105 /nfs/dbraw/zinc/39/61/05/505396105.db2.gz VEDJULZAOABERF-HXUWFJFHSA-N 2 1 367.965 3.423 20 0 FGADMP CC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@H+]1Cc1ccccc1 ZINC000558517556 505414885 /nfs/dbraw/zinc/41/48/85/505414885.db2.gz HPUBVHZZQFTTSR-HXUWFJFHSA-N 2 1 366.509 3.031 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccn2ccnc2c1 ZINC000564433086 505418676 /nfs/dbraw/zinc/41/86/76/505418676.db2.gz LTSLAFYTQNCZED-APWZRJJASA-N 2 1 363.465 3.366 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c(-n2cc(Cl)cn2)n1 ZINC000552284324 505450324 /nfs/dbraw/zinc/45/03/24/505450324.db2.gz WOJITBJWLKKGRR-KURKYZTESA-N 2 1 359.905 3.192 20 0 FGADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583346 505461126 /nfs/dbraw/zinc/46/11/26/505461126.db2.gz NFQSCJVLLWWDBM-ZWKOTPCHSA-N 2 1 373.545 3.052 20 0 FGADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc(N2CCCC2)[nH+]1 ZINC000564583346 505461127 /nfs/dbraw/zinc/46/11/27/505461127.db2.gz NFQSCJVLLWWDBM-ZWKOTPCHSA-N 2 1 373.545 3.052 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000564658522 505485231 /nfs/dbraw/zinc/48/52/31/505485231.db2.gz JXAVKHOGUGWQMP-NQIIRXRSSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CC[C@H](CC2CC2)C1 ZINC000555697064 505493195 /nfs/dbraw/zinc/49/31/95/505493195.db2.gz ROMZVGYONURQFT-GHTZIAJQSA-N 2 1 369.553 3.278 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000567608888 505513396 /nfs/dbraw/zinc/51/33/96/505513396.db2.gz SXRDAORJPNWBIP-HSZRJFAPSA-N 2 1 365.521 3.074 20 0 FGADMP Cc1[nH]nc2ncc(C[NH+]3CCC(c4[nH+]cc5n4CCCC5)CC3)cc12 ZINC000555838898 505524149 /nfs/dbraw/zinc/52/41/49/505524149.db2.gz OXYXZIGXEPWANG-UHFFFAOYSA-N 2 1 350.470 3.179 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000562241062 505549566 /nfs/dbraw/zinc/54/95/66/505549566.db2.gz CZAZMNLXPKUFPG-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000562241062 505549569 /nfs/dbraw/zinc/54/95/69/505549569.db2.gz CZAZMNLXPKUFPG-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000562241062 505549571 /nfs/dbraw/zinc/54/95/71/505549571.db2.gz CZAZMNLXPKUFPG-SBHAEUEKSA-N 2 1 374.573 3.317 20 0 FGADMP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000567732207 505551948 /nfs/dbraw/zinc/55/19/48/505551948.db2.gz ZBCBTIZLEPWIFT-GDBMZVCRSA-N 2 1 350.532 3.365 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000562254278 505553542 /nfs/dbraw/zinc/55/35/42/505553542.db2.gz FYBMLFVKEJCWGO-ROUUACIJSA-N 2 1 364.534 3.226 20 0 FGADMP CC(C)N1CC[C@H]([NH2+]CCCc2c[nH+]cn2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000567748007 505555493 /nfs/dbraw/zinc/55/54/93/505555493.db2.gz HKVWTDHBGGNMIA-PMACEKPBSA-N 2 1 362.468 3.445 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1 ZINC000599292606 506398439 /nfs/dbraw/zinc/39/84/39/506398439.db2.gz PDPIKHNKHCAZRD-RBUKOAKNSA-N 2 1 359.901 3.362 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165575 506448544 /nfs/dbraw/zinc/44/85/44/506448544.db2.gz RPSVLQUXZLDYIK-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165575 506448548 /nfs/dbraw/zinc/44/85/48/506448548.db2.gz RPSVLQUXZLDYIK-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2)C1)c1ccccc1 ZINC000608165575 506448554 /nfs/dbraw/zinc/44/85/54/506448554.db2.gz RPSVLQUXZLDYIK-VXKWHMMOSA-N 2 1 365.521 3.412 20 0 FGADMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000608167794 506449786 /nfs/dbraw/zinc/44/97/86/506449786.db2.gz SZLSCSCIUCCVLW-NHCUHLMSSA-N 2 1 357.542 3.230 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C[C@H]1C ZINC000596649323 506509783 /nfs/dbraw/zinc/50/97/83/506509783.db2.gz IGQOCOBBNUPSPR-KWNXSDKPSA-N 2 1 374.525 3.098 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000608414574 506549333 /nfs/dbraw/zinc/54/93/33/506549333.db2.gz LKKJNKADIZTAAX-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](CNC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000608645615 506646296 /nfs/dbraw/zinc/64/62/96/506646296.db2.gz QAKDVLUUKLHNTL-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+]1CCC(CNC(=O)N2C[C@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000583255268 506679322 /nfs/dbraw/zinc/67/93/22/506679322.db2.gz TZQOQGVKRIDONK-RBUKOAKNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000604195899 506747278 /nfs/dbraw/zinc/74/72/78/506747278.db2.gz WYJMGMYGJJPOSM-RTWAWAEBSA-N 2 1 372.557 3.387 20 0 FGADMP COC(=O)c1ccc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000597053360 506752564 /nfs/dbraw/zinc/75/25/64/506752564.db2.gz IXUYLUREVNTAPT-IBGZPJMESA-N 2 1 370.468 3.267 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000597053360 506752569 /nfs/dbraw/zinc/75/25/69/506752569.db2.gz IXUYLUREVNTAPT-IBGZPJMESA-N 2 1 370.468 3.267 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000597053360 506752574 /nfs/dbraw/zinc/75/25/74/506752574.db2.gz IXUYLUREVNTAPT-IBGZPJMESA-N 2 1 370.468 3.267 20 0 FGADMP CC(C)[N@H+]1CC[C@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000583419958 506769481 /nfs/dbraw/zinc/76/94/81/506769481.db2.gz KQJCCMFZEUELCK-LJQANCHMSA-N 2 1 364.578 3.062 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC000600118600 506784742 /nfs/dbraw/zinc/78/47/42/506784742.db2.gz PQYABLBOLHDMTF-FQEVSTJZSA-N 2 1 371.569 3.272 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000600137646 506799080 /nfs/dbraw/zinc/79/90/80/506799080.db2.gz CPDHPPZAKROCKL-MJGOQNOKSA-N 2 1 367.493 3.259 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600137646 506799091 /nfs/dbraw/zinc/79/90/91/506799091.db2.gz CPDHPPZAKROCKL-MJGOQNOKSA-N 2 1 367.493 3.259 20 0 FGADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000583491483 506808566 /nfs/dbraw/zinc/80/85/66/506808566.db2.gz YWSKTVTVJDTPMV-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000583491483 506808569 /nfs/dbraw/zinc/80/85/69/506808569.db2.gz YWSKTVTVJDTPMV-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000583491483 506808575 /nfs/dbraw/zinc/80/85/75/506808575.db2.gz YWSKTVTVJDTPMV-JTHBVZDNSA-N 2 1 369.553 3.374 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612963356 506842570 /nfs/dbraw/zinc/84/25/70/506842570.db2.gz MWPIAEHQDUUWCT-PXNSSMCTSA-N 2 1 370.541 3.002 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000604727773 506920479 /nfs/dbraw/zinc/92/04/79/506920479.db2.gz KMNNISKDQATGCJ-PMACEKPBSA-N 2 1 359.558 3.381 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000604786648 506942508 /nfs/dbraw/zinc/94/25/08/506942508.db2.gz FRTYDTXKBRCWNC-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2(c3ccccc3)CCC2)CC1 ZINC000590786194 506955999 /nfs/dbraw/zinc/95/59/99/506955999.db2.gz GQRZXJACKTXUBK-UHFFFAOYSA-N 2 1 357.542 3.234 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000590787172 506957460 /nfs/dbraw/zinc/95/74/60/506957460.db2.gz SZYOIVKKNDJJMV-CQSZACIVSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cc(F)ccc2F)CC1 ZINC000590787172 506957462 /nfs/dbraw/zinc/95/74/62/506957462.db2.gz SZYOIVKKNDJJMV-CQSZACIVSA-N 2 1 353.457 3.344 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000590819046 506979535 /nfs/dbraw/zinc/97/95/35/506979535.db2.gz VCMSAYYREIKYGS-JTHBVZDNSA-N 2 1 374.569 3.494 20 0 FGADMP C[NH+](C)CC1CC[NH+](CC[S@@](=O)c2cc(Cl)ccc2Cl)CC1 ZINC000609798817 507004488 /nfs/dbraw/zinc/00/44/88/507004488.db2.gz PWAJPWUXAZNRKP-JOCHJYFZSA-N 2 1 363.354 3.375 20 0 FGADMP CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000613383675 507060995 /nfs/dbraw/zinc/06/09/95/507060995.db2.gz ICXBRJGGHMNPQF-CMKODMSKSA-N 2 1 374.569 3.291 20 0 FGADMP O=C(NCc1ccccc1Cn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000583942607 507061786 /nfs/dbraw/zinc/06/17/86/507061786.db2.gz JMBAOKVPSANBFC-QFIPXVFZSA-N 2 1 374.488 3.070 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@H](SC)C(C)(C)C)CC2)CC1 ZINC000594337915 507085052 /nfs/dbraw/zinc/08/50/52/507085052.db2.gz VIYOMQXKJXZLAT-GOSISDBHSA-N 2 1 369.619 3.077 20 0 FGADMP C[C@@H](c1ccc(NC(=O)NCC[NH+]2CCCCCC2)cc1)[NH+]1CCOCC1 ZINC000605203576 507109534 /nfs/dbraw/zinc/10/95/34/507109534.db2.gz BMXZXGAXVWZBRR-SFHVURJKSA-N 2 1 374.529 3.077 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC[C@H](C)C2)cc1 ZINC000591096436 507113228 /nfs/dbraw/zinc/11/32/28/507113228.db2.gz NZQAZQCNBDJWKE-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000591096436 507113234 /nfs/dbraw/zinc/11/32/34/507113234.db2.gz NZQAZQCNBDJWKE-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000591096436 507113242 /nfs/dbraw/zinc/11/32/42/507113242.db2.gz NZQAZQCNBDJWKE-GHTZIAJQSA-N 2 1 357.542 3.409 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104388 507116524 /nfs/dbraw/zinc/11/65/24/507116524.db2.gz DGKZBFQLMSWMCV-MJGOQNOKSA-N 2 1 373.472 3.050 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)c1ccco1 ZINC000591104388 507116531 /nfs/dbraw/zinc/11/65/31/507116531.db2.gz DGKZBFQLMSWMCV-MJGOQNOKSA-N 2 1 373.472 3.050 20 0 FGADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000605374244 507164565 /nfs/dbraw/zinc/16/45/65/507164565.db2.gz SQXAHKKCIFZTBS-QUCCMNQESA-N 2 1 361.505 3.028 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000584200529 507208199 /nfs/dbraw/zinc/20/81/99/507208199.db2.gz CIZOUZZVQRXZST-NVXWUHKLSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000584200529 507208207 /nfs/dbraw/zinc/20/82/07/507208207.db2.gz CIZOUZZVQRXZST-NVXWUHKLSA-N 2 1 369.347 3.157 20 0 FGADMP CC[C@H](Cc1ccccc1Br)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000584200529 507208212 /nfs/dbraw/zinc/20/82/12/507208212.db2.gz CIZOUZZVQRXZST-NVXWUHKLSA-N 2 1 369.347 3.157 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605508031 507222745 /nfs/dbraw/zinc/22/27/45/507222745.db2.gz ZMDVVBXJYBLRMC-GOSISDBHSA-N 2 1 357.542 3.014 20 0 FGADMP C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000605506432 507223048 /nfs/dbraw/zinc/22/30/48/507223048.db2.gz RXMNICSYGYTAQN-QGZVFWFLSA-N 2 1 367.493 3.012 20 0 FGADMP C[C@H](C(=O)Nc1cccc(OCC[NH+](C)C)c1)[N@H+]1CCc2ccccc2C1 ZINC000605506432 507223054 /nfs/dbraw/zinc/22/30/54/507223054.db2.gz RXMNICSYGYTAQN-QGZVFWFLSA-N 2 1 367.493 3.012 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)CC1 ZINC000605508032 507223923 /nfs/dbraw/zinc/22/39/23/507223923.db2.gz ZMDVVBXJYBLRMC-SFHVURJKSA-N 2 1 357.542 3.014 20 0 FGADMP Fc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1C[NH+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000584229760 507226743 /nfs/dbraw/zinc/22/67/43/507226743.db2.gz PNLOEPACYCXNBJ-UBBRYJJRSA-N 2 1 374.500 3.047 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@@H]3OCC[C@@H]3C2)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000584229760 507226752 /nfs/dbraw/zinc/22/67/52/507226752.db2.gz PNLOEPACYCXNBJ-UBBRYJJRSA-N 2 1 374.500 3.047 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@@H]3OCC[C@@H]3C2)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000584229760 507226757 /nfs/dbraw/zinc/22/67/57/507226757.db2.gz PNLOEPACYCXNBJ-UBBRYJJRSA-N 2 1 374.500 3.047 20 0 FGADMP C[C@H](CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCC1 ZINC000591430855 507247717 /nfs/dbraw/zinc/24/77/17/507247717.db2.gz VRZGAMGCFWQSFV-RTBURBONSA-N 2 1 373.541 3.154 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000591543104 507285124 /nfs/dbraw/zinc/28/51/24/507285124.db2.gz QFZCLFPGWQRAJI-GOSISDBHSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000601236203 507305701 /nfs/dbraw/zinc/30/57/01/507305701.db2.gz JVYWWJHOWDEDEY-HXUWFJFHSA-N 2 1 360.546 3.199 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)c[nH]1 ZINC000594999268 507348987 /nfs/dbraw/zinc/34/89/87/507348987.db2.gz BTVAMWYISFXQQY-LJQANCHMSA-N 2 1 367.493 3.193 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc(I)cc32)C1 ZINC000595016810 507355995 /nfs/dbraw/zinc/35/59/95/507355995.db2.gz XNOAJELIAMWIKK-WBMJQRKESA-N 2 1 370.278 3.210 20 0 FGADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1 ZINC000595061531 507373385 /nfs/dbraw/zinc/37/33/85/507373385.db2.gz ORAFYRDFXOBDHL-OALHLCOBSA-N 2 1 362.583 3.361 20 0 FGADMP CN(C)[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536342 507438134 /nfs/dbraw/zinc/43/81/34/507438134.db2.gz VAAYQBNFJFUJEI-LJQANCHMSA-N 2 1 363.933 3.420 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683459 507447334 /nfs/dbraw/zinc/44/73/34/507447334.db2.gz OSSZAYLJSLTCBT-KURKYZTESA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000584683459 507447341 /nfs/dbraw/zinc/44/73/41/507447341.db2.gz OSSZAYLJSLTCBT-KURKYZTESA-N 2 1 356.432 3.386 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000584691739 507452876 /nfs/dbraw/zinc/45/28/76/507452876.db2.gz WDOLLBPXSBMECH-BDTNDASRSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691739 507452884 /nfs/dbraw/zinc/45/28/84/507452884.db2.gz WDOLLBPXSBMECH-BDTNDASRSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691739 507452893 /nfs/dbraw/zinc/45/28/93/507452893.db2.gz WDOLLBPXSBMECH-BDTNDASRSA-N 2 1 365.521 3.459 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000606636571 507462076 /nfs/dbraw/zinc/46/20/76/507462076.db2.gz UZRWUFGGIQVICH-FQEVSTJZSA-N 2 1 360.546 3.010 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000592377053 507627295 /nfs/dbraw/zinc/62/72/95/507627295.db2.gz RKMASBFOVXWGDQ-RTBURBONSA-N 2 1 373.541 3.106 20 0 FGADMP O=C(CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1)Nc1ccccc1F ZINC000585812035 507644200 /nfs/dbraw/zinc/64/42/00/507644200.db2.gz MCIRRKFHJFQYHG-UHFFFAOYSA-N 2 1 369.484 3.451 20 0 FGADMP Cc1cnc(NC[C@@H]2CC[N@H+](C(C)C)C2)nc1NC[C@H]1CC[NH+](C(C)C)C1 ZINC000532045708 562465045 /nfs/dbraw/zinc/46/50/45/562465045.db2.gz OLMWZFZRGHEGMB-MOPGFXCFSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@@H]2CC[NH+](C(C)C)C2)nc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000532045708 562465046 /nfs/dbraw/zinc/46/50/46/562465046.db2.gz OLMWZFZRGHEGMB-MOPGFXCFSA-N 2 1 374.577 3.069 20 0 FGADMP Cc1cnc(NC[C@@H]2CC[NH+](C(C)C)C2)nc1NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000532045708 562465047 /nfs/dbraw/zinc/46/50/47/562465047.db2.gz OLMWZFZRGHEGMB-MOPGFXCFSA-N 2 1 374.577 3.069 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccsc2C(F)(F)F)CC1 ZINC000636703952 567866013 /nfs/dbraw/zinc/86/60/13/567866013.db2.gz HVQRTXIZJNLDBN-UHFFFAOYSA-N 2 1 370.400 3.166 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000824935387 608501548 /nfs/dbraw/zinc/50/15/48/608501548.db2.gz ALDDJFLSUOOAHW-JXFKEZNVSA-N 2 1 368.529 3.488 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824530625 609350236 /nfs/dbraw/zinc/35/02/36/609350236.db2.gz MINBKFWLNUCBDE-MPGHIAIKSA-N 2 1 354.502 3.170 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836495 700219109 /nfs/dbraw/zinc/21/91/09/700219109.db2.gz JHQYDPFNFMWRJC-MSOLQXFVSA-N 2 1 351.535 3.194 20 0 FGADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836495 700219112 /nfs/dbraw/zinc/21/91/12/700219112.db2.gz JHQYDPFNFMWRJC-MSOLQXFVSA-N 2 1 351.535 3.194 20 0 FGADMP COc1cccc(-n2ccn(C[N@H+](C)CC3CC[NH+](C)CC3)c2=S)c1 ZINC000103462243 700486210 /nfs/dbraw/zinc/48/62/10/700486210.db2.gz ZRRUOQPIGVVGNA-UHFFFAOYSA-N 2 1 360.527 3.248 20 0 FGADMP COc1cccc(-n2ccn(C[N@@H+](C)CC3CC[NH+](C)CC3)c2=S)c1 ZINC000103462243 700486213 /nfs/dbraw/zinc/48/62/13/700486213.db2.gz ZRRUOQPIGVVGNA-UHFFFAOYSA-N 2 1 360.527 3.248 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572917 705345018 /nfs/dbraw/zinc/34/50/18/705345018.db2.gz PONXFCIGPOEUKY-PKOBYXMFSA-N 2 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572917 705345022 /nfs/dbraw/zinc/34/50/22/705345022.db2.gz PONXFCIGPOEUKY-PKOBYXMFSA-N 3 1 362.587 3.134 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cs1 ZINC000166572917 705345027 /nfs/dbraw/zinc/34/50/27/705345027.db2.gz PONXFCIGPOEUKY-PKOBYXMFSA-N 3 1 362.587 3.134 20 0 FGADMP Cc1cc(Br)cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000180392397 705738238 /nfs/dbraw/zinc/73/82/38/705738238.db2.gz NZWLDOVYTOIMHC-CQSZACIVSA-N 2 1 353.304 3.381 20 0 FGADMP Cc1cc(Br)cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1O ZINC000180392397 705738244 /nfs/dbraw/zinc/73/82/44/705738244.db2.gz NZWLDOVYTOIMHC-CQSZACIVSA-N 2 1 353.304 3.381 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000245891333 713613245 /nfs/dbraw/zinc/61/32/45/713613245.db2.gz CHZAHJPXLXNMRN-PVAVHDDUSA-N 2 1 350.507 3.111 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000247578196 713642278 /nfs/dbraw/zinc/64/22/78/713642278.db2.gz SLMIPTIGXPZYNJ-MSOLQXFVSA-N 2 1 353.551 3.297 20 0 FGADMP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000289947592 713768801 /nfs/dbraw/zinc/76/88/01/713768801.db2.gz WAZYPQSAJBUUSY-WMZOPIPTSA-N 2 1 361.555 3.213 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@@H+]1C ZINC000302095072 713782654 /nfs/dbraw/zinc/78/26/54/713782654.db2.gz QHWNCWWECIDDBX-ZACQAIPSSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@H+]1C ZINC000302095072 713782657 /nfs/dbraw/zinc/78/26/57/713782657.db2.gz QHWNCWWECIDDBX-ZACQAIPSSA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)[N@H+]1CCc2nc(CN(C)CC[C@H]3CCCC[NH+]3C)sc2C1 ZINC000374958229 713956271 /nfs/dbraw/zinc/95/62/71/713956271.db2.gz ZSVJJVGKYFEHBJ-MRXNPFEDSA-N 2 1 350.576 3.216 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN(C)CC[C@H]3CCCC[N@@H+]3C)sc2C1 ZINC000374958229 713956273 /nfs/dbraw/zinc/95/62/73/713956273.db2.gz ZSVJJVGKYFEHBJ-MRXNPFEDSA-N 2 1 350.576 3.216 20 0 FGADMP CC(C)[NH+]1CCc2nc(CN(C)CC[C@H]3CCCC[N@H+]3C)sc2C1 ZINC000374958229 713956275 /nfs/dbraw/zinc/95/62/75/713956275.db2.gz ZSVJJVGKYFEHBJ-MRXNPFEDSA-N 2 1 350.576 3.216 20 0 FGADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCCCC[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322456 714031490 /nfs/dbraw/zinc/03/14/90/714031490.db2.gz UDXNKFINGNUEOR-JRBOJVLQSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@@H](O)[C@H]1C[C@H](C)CC[NH+]1CCCCC[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322456 714031494 /nfs/dbraw/zinc/03/14/94/714031494.db2.gz UDXNKFINGNUEOR-JRBOJVLQSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@@H](O)[C@H]1C[C@H](C)CC[NH+]1CCCCC[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000443322456 714031498 /nfs/dbraw/zinc/03/14/98/714031498.db2.gz UDXNKFINGNUEOR-JRBOJVLQSA-N 2 1 354.579 3.119 20 0 FGADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000474712406 714083849 /nfs/dbraw/zinc/08/38/49/714083849.db2.gz JZZBAVRFYKFHSP-HOTGVXAUSA-N 2 1 365.949 3.364 20 0 FGADMP C[C@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000523603264 714243240 /nfs/dbraw/zinc/24/32/40/714243240.db2.gz KNXJUBZDFNDEGX-RTBURBONSA-N 2 1 352.567 3.205 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000523911725 714258391 /nfs/dbraw/zinc/25/83/91/714258391.db2.gz QBRNXYPEMFEPMA-SFHVURJKSA-N 2 1 354.583 3.115 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000524966424 714313483 /nfs/dbraw/zinc/31/34/83/714313483.db2.gz LXAFDSWBROIQDK-LJQANCHMSA-N 2 1 363.933 3.277 20 0 FGADMP C[NH2+]C1(CNc2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)CCC1 ZINC000621323750 714981241 /nfs/dbraw/zinc/98/12/41/714981241.db2.gz MAPPYRNOBIJVOQ-UHFFFAOYSA-N 2 1 359.543 3.458 20 0 FGADMP Cc1nn(-c2ccccc2Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085723 715162370 /nfs/dbraw/zinc/16/23/70/715162370.db2.gz AWITZZHPPLMLMV-UHFFFAOYSA-N 2 1 374.286 3.009 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000643482131 718036458 /nfs/dbraw/zinc/03/64/58/718036458.db2.gz OCYGAWJMYAWSJR-AEGPPILISA-N 2 1 357.479 3.398 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1(C)C ZINC000623399247 715327551 /nfs/dbraw/zinc/32/75/51/715327551.db2.gz CZHQMBHTSSKPJV-HOTGVXAUSA-N 2 1 366.347 3.490 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC(F)F)C2)CC1(C)C ZINC000623422994 715333344 /nfs/dbraw/zinc/33/33/44/715333344.db2.gz PFTBWVQDOKVHBP-GJZGRUSLSA-N 2 1 353.457 3.329 20 0 FGADMP Cc1cc(C[NH2+]C2CCN(CCOC(C)C)CC2)ncc1Br ZINC000623438766 715336321 /nfs/dbraw/zinc/33/63/21/715336321.db2.gz JPBLRVOCNCOQHD-UHFFFAOYSA-N 2 1 370.335 3.132 20 0 FGADMP CN1C(=O)C[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472196 715342976 /nfs/dbraw/zinc/34/29/76/715342976.db2.gz HUGWUJUDWSTLCB-SKDZVZGDSA-N 2 1 367.896 3.213 20 0 FGADMP CN1C(=O)C[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000623472196 715343015 /nfs/dbraw/zinc/34/30/15/715343015.db2.gz HUGWUJUDWSTLCB-SKDZVZGDSA-N 2 1 367.896 3.213 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478622 715344139 /nfs/dbraw/zinc/34/41/39/715344139.db2.gz RZXUCKONRWXZEY-OLZOCXBDSA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC(=O)N(c3ccc(Cl)c(F)c3)C2)CC1(C)C ZINC000623478622 715344143 /nfs/dbraw/zinc/34/41/43/715344143.db2.gz RZXUCKONRWXZEY-OLZOCXBDSA-N 2 1 353.869 3.047 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1(C)C ZINC000623509571 715351156 /nfs/dbraw/zinc/35/11/56/715351156.db2.gz JEJFFZAHRFVRKL-CVEARBPZSA-N 2 1 366.347 3.490 20 0 FGADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000623656319 715380821 /nfs/dbraw/zinc/38/08/21/715380821.db2.gz RYUHYTJFFWQQHO-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)C1 ZINC000623656319 715380829 /nfs/dbraw/zinc/38/08/29/715380829.db2.gz RYUHYTJFFWQQHO-CYBMUJFWSA-N 2 1 369.303 3.042 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121305 715477304 /nfs/dbraw/zinc/47/73/04/715477304.db2.gz SVZKIDAQZAXBIK-FUHWJXTLSA-N 2 1 365.949 3.399 20 0 FGADMP CN(CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)F ZINC000624326734 715512426 /nfs/dbraw/zinc/51/24/26/715512426.db2.gz SSHLHTLAEQXLSN-CEXWTWQISA-N 2 1 351.485 3.074 20 0 FGADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2csc(C3CCCCC3)n2)C1 ZINC000779651596 724420692 /nfs/dbraw/zinc/42/06/92/724420692.db2.gz FACUNJXSODKICA-MRXNPFEDSA-N 2 1 366.531 3.298 20 0 FGADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2csc(C3CCCCC3)n2)C1 ZINC000779651596 724420694 /nfs/dbraw/zinc/42/06/94/724420694.db2.gz FACUNJXSODKICA-MRXNPFEDSA-N 2 1 366.531 3.298 20 0 FGADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2csc(C3CCCCC3)n2)C1 ZINC000779651593 724420808 /nfs/dbraw/zinc/42/08/08/724420808.db2.gz FACUNJXSODKICA-INIZCTEOSA-N 2 1 366.531 3.298 20 0 FGADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2csc(C3CCCCC3)n2)C1 ZINC000779651593 724420811 /nfs/dbraw/zinc/42/08/11/724420811.db2.gz FACUNJXSODKICA-INIZCTEOSA-N 2 1 366.531 3.298 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC[N@H+]1C ZINC000628967973 716193117 /nfs/dbraw/zinc/19/31/17/716193117.db2.gz AOKOMYHVTZUAKT-AXAPSJFSSA-N 2 1 358.313 3.053 20 0 FGADMP CCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1OCCC ZINC000629520537 716302663 /nfs/dbraw/zinc/30/26/63/716302663.db2.gz GZLBCYJFFMTWSE-MRXNPFEDSA-N 2 1 350.503 3.423 20 0 FGADMP [NH3+]C1(C[NH2+][C@@H]2CCCc3nc(-c4ccc(F)cc4)sc32)CCOCC1 ZINC000629521020 716303052 /nfs/dbraw/zinc/30/30/52/716303052.db2.gz KRNCIHXJRDVXQW-OAHLLOKOSA-N 2 1 361.486 3.424 20 0 FGADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccncc1Br ZINC000631057170 716556571 /nfs/dbraw/zinc/55/65/71/716556571.db2.gz QPQMLRAQCFARHS-UHFFFAOYSA-N 2 1 364.287 3.074 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953182 717134868 /nfs/dbraw/zinc/13/48/68/717134868.db2.gz UINWAJFXKVKGKQ-FXAWDEMLSA-N 2 1 364.555 3.118 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634953185 717134872 /nfs/dbraw/zinc/13/48/72/717134872.db2.gz UINWAJFXKVKGKQ-YLJYHZDGSA-N 2 1 364.555 3.118 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634953194 717134876 /nfs/dbraw/zinc/13/48/76/717134876.db2.gz UQDLLCVGEYCSNH-YLJYHZDGSA-N 2 1 364.555 3.118 20 0 FGADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638369281 717440524 /nfs/dbraw/zinc/44/05/24/717440524.db2.gz QOZPEIWMPCQTAJ-MSOLQXFVSA-N 2 1 361.917 3.095 20 0 FGADMP O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638369281 717440529 /nfs/dbraw/zinc/44/05/29/717440529.db2.gz QOZPEIWMPCQTAJ-MSOLQXFVSA-N 2 1 361.917 3.095 20 0 FGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000638672465 717474866 /nfs/dbraw/zinc/47/48/66/717474866.db2.gz ZDZCTBFKDFHIPR-LMMKCTJWSA-N 2 1 352.544 3.162 20 0 FGADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000638672465 717474871 /nfs/dbraw/zinc/47/48/71/717474871.db2.gz ZDZCTBFKDFHIPR-LMMKCTJWSA-N 2 1 352.544 3.162 20 0 FGADMP Nc1c(Cl)cc(Cl)cc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000638748095 717481728 /nfs/dbraw/zinc/48/17/28/717481728.db2.gz HMLWDTWFKVSUFA-HZPDHXFCSA-N 2 1 358.313 3.043 20 0 FGADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000639981575 717639881 /nfs/dbraw/zinc/63/98/81/717639881.db2.gz LQIKXSBZYLXCFT-GOSISDBHSA-N 2 1 366.933 3.168 20 0 FGADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)N1CCc2sccc2C1 ZINC000640530936 717760392 /nfs/dbraw/zinc/76/03/92/717760392.db2.gz IXCVBYIRQBCIFV-UHFFFAOYSA-N 2 1 363.571 3.221 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[C@](O)(C(F)(F)F)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000644553369 718123551 /nfs/dbraw/zinc/12/35/51/718123551.db2.gz KWPYCQLMKVKYSI-DZJNRPSUSA-N 2 1 356.432 3.333 20 0 FGADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000644569576 718126757 /nfs/dbraw/zinc/12/67/57/718126757.db2.gz ZWKUCVSFSXQLBH-HNNXBMFYSA-N 2 1 368.319 3.242 20 0 FGADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000644584022 718128521 /nfs/dbraw/zinc/12/85/21/718128521.db2.gz KDSWICNCOHYVOR-KSZLIROESA-N 2 1 358.448 3.438 20 0 FGADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000644584022 718128522 /nfs/dbraw/zinc/12/85/22/718128522.db2.gz KDSWICNCOHYVOR-KSZLIROESA-N 2 1 358.448 3.438 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)CC(F)(F)F ZINC000644619337 718134488 /nfs/dbraw/zinc/13/44/88/718134488.db2.gz CZPOCBFPPYSQJZ-XLAORIBOSA-N 2 1 356.432 3.190 20 0 FGADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CCO2 ZINC000646104410 718264029 /nfs/dbraw/zinc/26/40/29/718264029.db2.gz CNSDTHUMBSJQCI-UHFFFAOYSA-N 2 1 356.432 3.435 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295160 718276095 /nfs/dbraw/zinc/27/60/95/718276095.db2.gz ZHDRWDUPOTXNAM-AEFFLSMTSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646295160 718276096 /nfs/dbraw/zinc/27/60/96/718276096.db2.gz ZHDRWDUPOTXNAM-AEFFLSMTSA-N 2 1 367.896 3.391 20 0 FGADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3cccc(C(F)(F)F)c3)CCOCC2)C1 ZINC000647548780 718367205 /nfs/dbraw/zinc/36/72/05/718367205.db2.gz SXNQPKPSDUEEBS-RHSMWYFYSA-N 2 1 356.432 3.341 20 0 FGADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976443 718391205 /nfs/dbraw/zinc/39/12/05/718391205.db2.gz ONVPCKPZNIULBF-IRXDYDNUSA-N 2 1 361.555 3.449 20 0 FGADMP C[C@H](C(=O)NCc1ccc(Cl)cc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976603 718391434 /nfs/dbraw/zinc/39/14/34/718391434.db2.gz QXJYXPDDNIMLCG-KBAYOESNSA-N 2 1 363.933 3.056 20 0 FGADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1cc(F)cc(F)c1 ZINC000647978030 718391644 /nfs/dbraw/zinc/39/16/44/718391644.db2.gz LLLDLGNLQCEKJA-CABCVRRESA-N 2 1 351.441 3.005 20 0 FGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000648896191 718457751 /nfs/dbraw/zinc/45/77/51/718457751.db2.gz UCMFARBWANQEOF-PBHICJAKSA-N 2 1 362.905 3.469 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649288470 718501386 /nfs/dbraw/zinc/50/13/86/718501386.db2.gz TWHZFNARCSXHBG-IBGZPJMESA-N 2 1 359.901 3.496 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706486 718717142 /nfs/dbraw/zinc/71/71/42/718717142.db2.gz LVQACFBLPCTRSF-ULQDDVLXSA-N 2 1 350.528 3.135 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Br)c3)C2)C1 ZINC000650705739 718717202 /nfs/dbraw/zinc/71/72/02/718717202.db2.gz UGWWFEUQURYYJI-CPUCHLNUSA-N 2 1 371.294 3.307 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1SC ZINC000650706485 718717218 /nfs/dbraw/zinc/71/72/18/718717218.db2.gz LVQACFBLPCTRSF-GVDBMIGSSA-N 2 1 350.528 3.135 20 0 FGADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(O)c(OC)cc1Br ZINC000650719013 718719677 /nfs/dbraw/zinc/71/96/77/718719677.db2.gz ADAQMGXHKXZRST-UHFFFAOYSA-N 2 1 365.271 3.173 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000650721812 718720039 /nfs/dbraw/zinc/72/00/39/718720039.db2.gz CCFOERJEJSPDMO-PVAVHDDUSA-N 2 1 358.404 3.446 20 0 FGADMP COc1ccc2nc(C[N@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)sc2c1 ZINC000650724011 718721116 /nfs/dbraw/zinc/72/11/16/718721116.db2.gz WUURVTBGCRRYCH-XKQJLSEDSA-N 2 1 361.511 3.166 20 0 FGADMP C[N@@H+](Cc1ccc(N2CCC3(CC[NH2+]CC3)[C@H]2C(F)(F)F)nc1)C1CC1 ZINC001164388897 718815409 /nfs/dbraw/zinc/81/54/09/718815409.db2.gz RJVLZXUDDPRFPG-KRWDZBQOSA-N 2 1 368.447 3.187 20 0 FGADMP C[NH+](C)Cc1ccnc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC001164623347 719104638 /nfs/dbraw/zinc/10/46/38/719104638.db2.gz CNFQIXFCXCZVFK-NHCUHLMSSA-N 2 1 350.510 3.244 20 0 FGADMP COc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(Cl)c1 ZINC000655724117 719329620 /nfs/dbraw/zinc/32/96/20/719329620.db2.gz VUBJCKLYGBSHQD-SFHVURJKSA-N 2 1 352.906 3.124 20 0 FGADMP c1c2ccncc2sc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000657293469 719619625 /nfs/dbraw/zinc/61/96/25/719619625.db2.gz NOTQIYBEOAOJPP-UHFFFAOYSA-N 2 1 353.491 3.418 20 0 FGADMP C[C@@]1(O)CCC[NH+](CCCCCCCCC[N@@H+]2CCC[C@@](C)(O)C2)C1 ZINC000781903288 724610093 /nfs/dbraw/zinc/61/00/93/724610093.db2.gz GJSFAPDMVBWCGF-NHCUHLMSSA-N 2 1 354.579 3.411 20 0 FGADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C12CCC2 ZINC000658250170 719774495 /nfs/dbraw/zinc/77/44/95/719774495.db2.gz AYYLCIRRTHLTBS-IPMKNSEASA-N 2 1 350.547 3.346 20 0 FGADMP C[C@@H]([NH3+])c1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000659293484 719891693 /nfs/dbraw/zinc/89/16/93/719891693.db2.gz IPRRKGYYIRLALM-MRVPVSSYSA-N 2 1 366.284 3.386 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC2(CC[NH2+]CC2)CC1)c1cccc(Cl)c1Cl ZINC000659321824 719897784 /nfs/dbraw/zinc/89/77/84/719897784.db2.gz FPSFEUYXKYZXTJ-MRXNPFEDSA-N 2 1 370.324 3.246 20 0 FGADMP OC1(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010306 719971389 /nfs/dbraw/zinc/97/13/89/719971389.db2.gz IFXCDFGOKVMWAI-PMACEKPBSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010306 719971392 /nfs/dbraw/zinc/97/13/92/719971392.db2.gz IFXCDFGOKVMWAI-PMACEKPBSA-N 2 1 360.567 3.231 20 0 FGADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCSCC1 ZINC000660010306 719971394 /nfs/dbraw/zinc/97/13/94/719971394.db2.gz IFXCDFGOKVMWAI-PMACEKPBSA-N 2 1 360.567 3.231 20 0 FGADMP CC1(C)C[C@H]([NH+]2CCCC3(CCC[N@H+]([C@@H]4COC(C)(C)C4)C3)C2)CO1 ZINC000660566831 720075194 /nfs/dbraw/zinc/07/51/94/720075194.db2.gz RYXXNOHUJQPFEX-GAOSQQNJSA-N 2 1 350.547 3.299 20 0 FGADMP FC1(F)C[C@H]1OCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000660624326 720086190 /nfs/dbraw/zinc/08/61/90/720086190.db2.gz ZURNANYOMNBDMM-GOSISDBHSA-N 2 1 350.453 3.399 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652262 720090732 /nfs/dbraw/zinc/09/07/32/720090732.db2.gz HYAXMFDIEYRSQW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652262 720090736 /nfs/dbraw/zinc/09/07/36/720090736.db2.gz HYAXMFDIEYRSQW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652262 720090743 /nfs/dbraw/zinc/09/07/43/720090743.db2.gz HYAXMFDIEYRSQW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652262 720090748 /nfs/dbraw/zinc/09/07/48/720090748.db2.gz HYAXMFDIEYRSQW-KBXCAEBGSA-N 2 1 373.324 3.151 20 0 FGADMP C[C@@H](O)[C@H]1CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H]2[C@@H](C)O)c1 ZINC000661767960 720316295 /nfs/dbraw/zinc/31/62/95/720316295.db2.gz SFYKZHGWYVILDU-PBGAUENZSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151193 720384514 /nfs/dbraw/zinc/38/45/14/720384514.db2.gz FTVXWLLIYVOYTB-KDOFPFPSSA-N 2 1 356.432 3.340 20 0 FGADMP C[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccc(C(F)(F)F)cc1 ZINC000662151193 720384520 /nfs/dbraw/zinc/38/45/20/720384520.db2.gz FTVXWLLIYVOYTB-KDOFPFPSSA-N 2 1 356.432 3.340 20 0 FGADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662281721 720409428 /nfs/dbraw/zinc/40/94/28/720409428.db2.gz LFKQGGMQKHDUDU-NVXWUHKLSA-N 2 1 358.404 3.145 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283318 720410038 /nfs/dbraw/zinc/41/00/38/720410038.db2.gz HPPPPIIVVGMNKJ-BMFZPTHFSA-N 2 1 358.404 3.288 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2OC(F)F)C1 ZINC000662283318 720410040 /nfs/dbraw/zinc/41/00/40/720410040.db2.gz HPPPPIIVVGMNKJ-BMFZPTHFSA-N 2 1 358.404 3.288 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290847 720410350 /nfs/dbraw/zinc/41/03/50/720410350.db2.gz LXCYCMASSIZRBZ-HIFRSBDPSA-N 2 1 351.441 3.003 20 0 FGADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291697 720410839 /nfs/dbraw/zinc/41/08/39/720410839.db2.gz XMXXHNUAMWWELH-ZFWWWQNUSA-N 2 1 351.441 3.003 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)cc1Cl ZINC000662292834 720410874 /nfs/dbraw/zinc/41/08/74/720410874.db2.gz APQXIELAIRMFBX-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(F)cc1Cl ZINC000662292834 720410877 /nfs/dbraw/zinc/41/08/77/720410877.db2.gz APQXIELAIRMFBX-AWEZNQCLSA-N 2 1 353.869 3.129 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)[C@@H]1CCC[NH3+] ZINC000662316777 720414701 /nfs/dbraw/zinc/41/47/01/720414701.db2.gz NOISCPAYDQXMPA-TZMCWYRMSA-N 2 1 360.527 3.225 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000662321375 720415430 /nfs/dbraw/zinc/41/54/30/720415430.db2.gz HOJOHNGCNXLVPI-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CCO1 ZINC000662321375 720415434 /nfs/dbraw/zinc/41/54/34/720415434.db2.gz HOJOHNGCNXLVPI-QGZVFWFLSA-N 2 1 360.420 3.170 20 0 FGADMP C[NH2+][C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662564667 720441724 /nfs/dbraw/zinc/44/17/24/720441724.db2.gz SPIHJSHYGCGENU-MKBNYLNASA-N 2 1 358.313 3.135 20 0 FGADMP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662582922 720443440 /nfs/dbraw/zinc/44/34/40/720443440.db2.gz IDLPCKXMUOSRJL-QGZVFWFLSA-N 2 1 366.292 3.290 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c(C)c1 ZINC001164836278 720542143 /nfs/dbraw/zinc/54/21/43/720542143.db2.gz JJRSIFZKFFEGCN-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP Cc1c[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)c(C)c1 ZINC001164836278 720542150 /nfs/dbraw/zinc/54/21/50/720542150.db2.gz JJRSIFZKFFEGCN-SLFFLAALSA-N 2 1 353.514 3.273 20 0 FGADMP Fc1cncc(Br)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000667708368 721161401 /nfs/dbraw/zinc/16/14/01/721161401.db2.gz AFEUKALRTQYTTB-SJKOYZFVSA-N 2 1 368.294 3.432 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734151 721771232 /nfs/dbraw/zinc/77/12/32/721771232.db2.gz XPQMKPWTYFXJHJ-QWQRMKEZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734151 721771233 /nfs/dbraw/zinc/77/12/33/721771233.db2.gz XPQMKPWTYFXJHJ-QWQRMKEZSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Cl)c(Cl)c3)CC[C@H]21 ZINC000675734151 721771235 /nfs/dbraw/zinc/77/12/35/721771235.db2.gz XPQMKPWTYFXJHJ-QWQRMKEZSA-N 2 1 373.324 3.149 20 0 FGADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Oc1ccc(Br)cc1 ZINC000677241519 721875820 /nfs/dbraw/zinc/87/58/20/721875820.db2.gz QCFPEJOLZDZMCP-FVQBIDKESA-N 2 1 353.304 3.433 20 0 FGADMP Cc1ccc([C@@H](C)[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)c(C)n1 ZINC000678411650 721957408 /nfs/dbraw/zinc/95/74/08/721957408.db2.gz IFBYAVFINIFLQJ-VQIMIIECSA-N 2 1 358.555 3.399 20 0 FGADMP C[N@@H+](Cc1cccc(Br)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000679318813 722022399 /nfs/dbraw/zinc/02/23/99/722022399.db2.gz DOFQHCBGVAZQNV-GOSISDBHSA-N 2 1 366.347 3.049 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc(Br)cc1)[C@H]1CCCO1 ZINC000679338778 722024118 /nfs/dbraw/zinc/02/41/18/722024118.db2.gz ZRCGYMMWBUMYLP-IAGOWNOFSA-N 2 1 364.287 3.464 20 0 FGADMP CCc1ccc(C[NH+]2CCC(OCC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000685460078 722385877 /nfs/dbraw/zinc/38/58/77/722385877.db2.gz QLXBJKUSIKQXMA-IAGOWNOFSA-N 2 1 366.571 3.401 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000700799998 722409853 /nfs/dbraw/zinc/40/98/53/722409853.db2.gz NVPSAQQPLOPGMH-IRXDYDNUSA-N 2 1 353.551 3.344 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738333952 722529771 /nfs/dbraw/zinc/52/97/71/722529771.db2.gz AHOHCCHNUJAWBC-QZTJIDSGSA-N 2 1 352.906 3.030 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000738333952 722529772 /nfs/dbraw/zinc/52/97/72/722529772.db2.gz AHOHCCHNUJAWBC-QZTJIDSGSA-N 2 1 352.906 3.030 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664463 723077459 /nfs/dbraw/zinc/07/74/59/723077459.db2.gz SLMZLBHCVXTOHE-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664463 723077460 /nfs/dbraw/zinc/07/74/60/723077460.db2.gz SLMZLBHCVXTOHE-IAGOWNOFSA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664461 723077621 /nfs/dbraw/zinc/07/76/21/723077621.db2.gz SLMZLBHCVXTOHE-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000760664461 723077625 /nfs/dbraw/zinc/07/76/25/723077625.db2.gz SLMZLBHCVXTOHE-DLBZAZTESA-N 2 1 353.551 3.344 20 0 FGADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024673 723470988 /nfs/dbraw/zinc/47/09/88/723470988.db2.gz GYSGTXAORAWBNR-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024673 723470991 /nfs/dbraw/zinc/47/09/91/723470991.db2.gz GYSGTXAORAWBNR-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000765024673 723470994 /nfs/dbraw/zinc/47/09/94/723470994.db2.gz GYSGTXAORAWBNR-FXAWDEMLSA-N 2 1 351.535 3.194 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)cc(Br)c2)CC1 ZINC000774963082 723945745 /nfs/dbraw/zinc/94/57/45/723945745.db2.gz MNZZGCVOHFWNEA-UHFFFAOYSA-N 2 1 368.363 3.265 20 0 FGADMP O[C@@H](C[NH+]1CCCC1)C[NH+]1CCC(c2cccc(Br)c2)CC1 ZINC000799199932 723997902 /nfs/dbraw/zinc/99/79/02/723997902.db2.gz QLOJWGBPZOQORL-SFHVURJKSA-N 2 1 367.331 3.085 20 0 FGADMP C[C@H]([NH2+]C[C@H](C1CCCCC1)[NH+](C)C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788538173 725071697 /nfs/dbraw/zinc/07/16/97/725071697.db2.gz FLLXFDFIHFXRTD-MAUKXSAKSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765037 725266294 /nfs/dbraw/zinc/26/62/94/725266294.db2.gz KQPBKRATEZRTHU-WMZOPIPTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765037 725266298 /nfs/dbraw/zinc/26/62/98/725266298.db2.gz KQPBKRATEZRTHU-WMZOPIPTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765037 725266299 /nfs/dbraw/zinc/26/62/99/725266299.db2.gz KQPBKRATEZRTHU-WMZOPIPTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000809765037 725266301 /nfs/dbraw/zinc/26/63/01/725266301.db2.gz KQPBKRATEZRTHU-WMZOPIPTSA-N 2 1 353.551 3.296 20 0 FGADMP C[C@@H]1CN(C(=O)NCCCCCCC[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000813604270 726896722 /nfs/dbraw/zinc/89/67/22/726896722.db2.gz CARPKDLAGKPAPO-SFHVURJKSA-N 2 1 352.567 3.014 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnn(C)c2Cl)cc1 ZINC000815115025 727040161 /nfs/dbraw/zinc/04/01/61/727040161.db2.gz DJZHJQWIJSTABZ-UHFFFAOYSA-N 2 1 350.894 3.084 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000817890436 727287220 /nfs/dbraw/zinc/28/72/20/727287220.db2.gz TWEZJLFOUDUGOS-KKXDTOCCSA-N 2 1 352.400 3.287 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817931330 727288411 /nfs/dbraw/zinc/28/84/11/727288411.db2.gz QOSTVNUSEBYNAK-VHSSKADRSA-N 2 1 363.299 3.031 20 0 FGADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934150 727288466 /nfs/dbraw/zinc/28/84/66/727288466.db2.gz BDFDJXIXYRUKKW-DOPJRALCSA-N 2 1 363.299 3.031 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1SC(F)F)CC[NH2+]CC2 ZINC000818341022 727308344 /nfs/dbraw/zinc/30/83/44/727308344.db2.gz VEFRRIAOMNXICK-CYBMUJFWSA-N 2 1 369.481 3.404 20 0 FGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000822882592 729228001 /nfs/dbraw/zinc/22/80/01/729228001.db2.gz KQTJZSBVYPHDQA-IRXDYDNUSA-N 2 1 357.325 3.139 20 0 FGADMP C[N@H+](CC[C@H]1CC1(Cl)Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882592 729228005 /nfs/dbraw/zinc/22/80/05/729228005.db2.gz KQTJZSBVYPHDQA-IRXDYDNUSA-N 2 1 357.325 3.139 20 0 FGADMP C[N@@H+](CC[C@H]1CC1(Cl)Cl)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000822882592 729228008 /nfs/dbraw/zinc/22/80/08/729228008.db2.gz KQTJZSBVYPHDQA-IRXDYDNUSA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000822882592 729228012 /nfs/dbraw/zinc/22/80/12/729228012.db2.gz KQTJZSBVYPHDQA-IRXDYDNUSA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](CC[C@H]1CC1(Cl)Cl)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000822882592 729228017 /nfs/dbraw/zinc/22/80/17/729228017.db2.gz KQTJZSBVYPHDQA-IRXDYDNUSA-N 2 1 357.325 3.139 20 0 FGADMP C[NH+](C)C1(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CCCCC1 ZINC000823578888 729290204 /nfs/dbraw/zinc/29/02/04/729290204.db2.gz JNNQRNAGOGDQPJ-VQIMIIECSA-N 2 1 351.535 3.098 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395604 729336037 /nfs/dbraw/zinc/33/60/37/729336037.db2.gz HUSOKDIKSXYOPS-TVFCKZIOSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395604 729336040 /nfs/dbraw/zinc/33/60/40/729336040.db2.gz HUSOKDIKSXYOPS-TVFCKZIOSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395604 729336042 /nfs/dbraw/zinc/33/60/42/729336042.db2.gz HUSOKDIKSXYOPS-TVFCKZIOSA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000824395604 729336046 /nfs/dbraw/zinc/33/60/46/729336046.db2.gz HUSOKDIKSXYOPS-TVFCKZIOSA-N 2 1 353.551 3.294 20 0 FGADMP Cc1cc([C@@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104021 729424407 /nfs/dbraw/zinc/42/44/07/729424407.db2.gz UHWNERIQLPKQDS-YOEHRIQHSA-N 2 1 366.937 3.062 20 0 FGADMP Cc1cc([C@H]([NH3+])CC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc(Cl)n1 ZINC000827104020 729424427 /nfs/dbraw/zinc/42/44/27/729424427.db2.gz UHWNERIQLPKQDS-WMLDXEAASA-N 2 1 366.937 3.062 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCC([NH3+])CC1 ZINC000843353229 730609952 /nfs/dbraw/zinc/60/99/52/730609952.db2.gz VNHLRXGFEIYJRJ-UHFFFAOYSA-N 2 1 363.811 3.499 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843400632 730615315 /nfs/dbraw/zinc/61/53/15/730615315.db2.gz VMDVBRKKYHWGBB-RDJZCZTQSA-N 2 1 350.507 3.207 20 0 FGADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304177 730700380 /nfs/dbraw/zinc/70/03/80/730700380.db2.gz MRBSSCOKGXWYOT-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304177 730700381 /nfs/dbraw/zinc/70/03/81/730700381.db2.gz MRBSSCOKGXWYOT-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000844304177 730700383 /nfs/dbraw/zinc/70/03/83/730700383.db2.gz MRBSSCOKGXWYOT-ZWKOTPCHSA-N 2 1 353.551 3.488 20 0 FGADMP FC1(F)C[C@@]12CCC[NH+](CCOCC[N@@H+]1CCC[C@@]3(CC3(F)F)C1)C2 ZINC000844438864 730718201 /nfs/dbraw/zinc/71/82/01/730718201.db2.gz TWCKZLBKOVSRHY-HZPDHXFCSA-N 2 1 364.427 3.245 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c3c(nn2C)CCSC3)C1 ZINC000882892795 737502247 /nfs/dbraw/zinc/50/22/47/737502247.db2.gz GAQAMAMIFQTPPZ-IYBDPMFKSA-N 2 1 350.576 3.057 20 0 FGADMP C[N@@H+](CCNC(=[NH2+])NCc1ccc(OC(F)(F)F)cc1)C1CCCC1 ZINC000849099934 731229349 /nfs/dbraw/zinc/22/93/49/731229349.db2.gz KQJONDBSEYFTGR-UHFFFAOYSA-N 2 1 358.408 3.074 20 0 FGADMP CCc1cccc(CC)c1NC(=S)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000849275928 731240536 /nfs/dbraw/zinc/24/05/36/731240536.db2.gz ZUYYDSJEJIRXGB-INIZCTEOSA-N 2 1 364.603 3.370 20 0 FGADMP CCc1cccc(CC)c1NC(=S)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000849275928 731240537 /nfs/dbraw/zinc/24/05/37/731240537.db2.gz ZUYYDSJEJIRXGB-INIZCTEOSA-N 2 1 364.603 3.370 20 0 FGADMP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000853239514 731686202 /nfs/dbraw/zinc/68/62/02/731686202.db2.gz GYOUEAAGZMEELL-HOCLYGCPSA-N 2 1 364.921 3.164 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000853239148 731686239 /nfs/dbraw/zinc/68/62/39/731686239.db2.gz BHDBEGVTDJWYPK-BBWFWOEESA-N 2 1 358.473 3.065 20 0 FGADMP CC[N@@H+](C)Cc1cc(O[C@H]2CC[NH+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555041 732037957 /nfs/dbraw/zinc/03/79/57/732037957.db2.gz XZPVYPHIYBIXHE-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@H+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555041 732037963 /nfs/dbraw/zinc/03/79/63/732037963.db2.gz XZPVYPHIYBIXHE-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC[NH+](C)Cc1cc(O[C@H]2CC[N@@H+](Cc3sc(C)nc3C)C2)ccn1 ZINC000856555041 732037968 /nfs/dbraw/zinc/03/79/68/732037968.db2.gz XZPVYPHIYBIXHE-SFHVURJKSA-N 2 1 360.527 3.260 20 0 FGADMP CC(C)[N@@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604712 732040665 /nfs/dbraw/zinc/04/06/65/732040665.db2.gz PZYLKWPWHOSYEN-GOSISDBHSA-N 2 1 353.457 3.420 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604712 732040668 /nfs/dbraw/zinc/04/06/68/732040668.db2.gz PZYLKWPWHOSYEN-GOSISDBHSA-N 2 1 353.457 3.420 20 0 FGADMP CC(C)[NH+](C)Cc1cc(O[C@@H]2CC[N@@H+](CC3CC(F)(F)C3)C2)ccn1 ZINC000856604712 732040670 /nfs/dbraw/zinc/04/06/70/732040670.db2.gz PZYLKWPWHOSYEN-GOSISDBHSA-N 2 1 353.457 3.420 20 0 FGADMP C[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2Cl)CC1 ZINC000858401088 732210735 /nfs/dbraw/zinc/21/07/35/732210735.db2.gz PGEBHFYUPLCDRI-INIZCTEOSA-N 2 1 350.938 3.377 20 0 FGADMP C[NH+]1CCN(c2ccc(N[C@H]3CC[N@@H+](C)C(C)(C)C3)cc2Cl)CC1 ZINC000858401088 732210736 /nfs/dbraw/zinc/21/07/36/732210736.db2.gz PGEBHFYUPLCDRI-INIZCTEOSA-N 2 1 350.938 3.377 20 0 FGADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC000859479343 732335971 /nfs/dbraw/zinc/33/59/71/732335971.db2.gz GNEAIWWTYRHYAL-QGZVFWFLSA-N 2 1 350.507 3.159 20 0 FGADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C(C)C ZINC000859479343 732335974 /nfs/dbraw/zinc/33/59/74/732335974.db2.gz GNEAIWWTYRHYAL-QGZVFWFLSA-N 2 1 350.507 3.159 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(ccnc2Cl)o1 ZINC000866353217 733339062 /nfs/dbraw/zinc/33/90/62/733339062.db2.gz PXTMARXBYNJJMV-CYBMUJFWSA-N 2 1 350.894 3.158 20 0 FGADMP C[C@@H](c1ccccc1Br)[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000866590735 733371451 /nfs/dbraw/zinc/37/14/51/733371451.db2.gz UXGCUBMEMQEJOX-HNNXBMFYSA-N 2 1 366.347 3.222 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705218 733386804 /nfs/dbraw/zinc/38/68/04/733386804.db2.gz VRPDHKCIQIUESL-QINHECLXSA-N 2 1 363.571 3.497 20 0 FGADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705218 733386813 /nfs/dbraw/zinc/38/68/13/733386813.db2.gz VRPDHKCIQIUESL-QINHECLXSA-N 2 1 363.571 3.497 20 0 FGADMP CCO[C@H](C)c1noc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158490 735597081 /nfs/dbraw/zinc/59/70/81/735597081.db2.gz VPQMFBMADOQTHZ-HLLBOEOZSA-N 2 1 350.507 3.287 20 0 FGADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)n1 ZINC000872158490 735597084 /nfs/dbraw/zinc/59/70/84/735597084.db2.gz VPQMFBMADOQTHZ-HLLBOEOZSA-N 2 1 350.507 3.287 20 0 FGADMP CC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158882 735597743 /nfs/dbraw/zinc/59/77/43/735597743.db2.gz YTVJSUCJYOMGKG-YOEHRIQHSA-N 2 1 350.532 3.221 20 0 FGADMP CC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158882 735597749 /nfs/dbraw/zinc/59/77/49/735597749.db2.gz YTVJSUCJYOMGKG-YOEHRIQHSA-N 2 1 350.532 3.221 20 0 FGADMP COCCC1([NH2+]Cc2cn(-c3ccc(Cl)cc3)nc2C)CC[NH2+]CC1 ZINC000873224586 735740181 /nfs/dbraw/zinc/74/01/81/735740181.db2.gz GVPOQMISCFBLEP-UHFFFAOYSA-N 2 1 362.905 3.082 20 0 FGADMP CC(C)[NH2+]C1CC[NH+](C[C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000876661843 736128290 /nfs/dbraw/zinc/12/82/90/736128290.db2.gz HWANFFDXSJDZHD-QGZVFWFLSA-N 2 1 353.551 3.486 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1Br ZINC000876906696 736161522 /nfs/dbraw/zinc/16/15/22/736161522.db2.gz FYEJXKDKVKOLPD-UHFFFAOYSA-N 2 1 369.303 3.198 20 0 FGADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546552 736682161 /nfs/dbraw/zinc/68/21/61/736682161.db2.gz UAURXIULXZZHDJ-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546552 736682165 /nfs/dbraw/zinc/68/21/65/736682165.db2.gz UAURXIULXZZHDJ-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H]3CCCCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000877546552 736682170 /nfs/dbraw/zinc/68/21/70/736682170.db2.gz UAURXIULXZZHDJ-XLIONFOSSA-N 2 1 351.535 3.051 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107491 736772845 /nfs/dbraw/zinc/77/28/45/736772845.db2.gz PUMWGWUYJWNEEI-HSALFYBXSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107491 736772846 /nfs/dbraw/zinc/77/28/46/736772846.db2.gz PUMWGWUYJWNEEI-HSALFYBXSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107491 736772847 /nfs/dbraw/zinc/77/28/47/736772847.db2.gz PUMWGWUYJWNEEI-HSALFYBXSA-N 2 1 350.547 3.159 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000878107491 736772848 /nfs/dbraw/zinc/77/28/48/736772848.db2.gz PUMWGWUYJWNEEI-HSALFYBXSA-N 2 1 350.547 3.159 20 0 FGADMP C[N@H+]1CC[C@@H]2CN(CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576870 737010034 /nfs/dbraw/zinc/01/00/34/737010034.db2.gz YOGXTOUKQFDDFE-IUODEOHRSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576870 737010039 /nfs/dbraw/zinc/01/00/39/737010039.db2.gz YOGXTOUKQFDDFE-IUODEOHRSA-N 2 1 356.297 3.348 20 0 FGADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576870 737010042 /nfs/dbraw/zinc/01/00/42/737010042.db2.gz YOGXTOUKQFDDFE-IUODEOHRSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576870 737010046 /nfs/dbraw/zinc/01/00/46/737010046.db2.gz YOGXTOUKQFDDFE-IUODEOHRSA-N 2 1 356.297 3.348 20 0 FGADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3c(Cl)cccc3Cl)CC[C@H]21 ZINC000879576870 737010049 /nfs/dbraw/zinc/01/00/49/737010049.db2.gz YOGXTOUKQFDDFE-IUODEOHRSA-N 2 1 356.297 3.348 20 0 FGADMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000879705099 737035560 /nfs/dbraw/zinc/03/55/60/737035560.db2.gz KNQWOESWEUQOJM-HXUWFJFHSA-N 2 1 352.563 3.262 20 0 FGADMP CCC1(NC(=O)OC(C)(C)C)CC[NH+](C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000883283169 737546858 /nfs/dbraw/zinc/54/68/58/737546858.db2.gz SMWZSZRURPSPMI-SJPCQFCGSA-N 2 1 351.535 3.381 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CCOC3(CCC3)C2)[C@H](C)C1 ZINC000886774877 739296784 /nfs/dbraw/zinc/29/67/84/739296784.db2.gz XHMYVLDSNRUOSX-AABGKKOBSA-N 2 1 352.563 3.452 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045774 742231102 /nfs/dbraw/zinc/23/11/02/742231102.db2.gz RLXXLBLLEBGOSK-ILXRZTDVSA-N 2 1 363.493 3.340 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045774 742231104 /nfs/dbraw/zinc/23/11/04/742231104.db2.gz RLXXLBLLEBGOSK-ILXRZTDVSA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045774 742231111 /nfs/dbraw/zinc/23/11/11/742231111.db2.gz RLXXLBLLEBGOSK-ILXRZTDVSA-N 2 1 363.493 3.340 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000894045774 742231113 /nfs/dbraw/zinc/23/11/13/742231113.db2.gz RLXXLBLLEBGOSK-ILXRZTDVSA-N 2 1 363.493 3.340 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894742881 742326002 /nfs/dbraw/zinc/32/60/02/742326002.db2.gz LPMQXWRHVLIANV-MQVJKMGUSA-N 2 1 366.303 3.122 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000894742881 742326005 /nfs/dbraw/zinc/32/60/05/742326005.db2.gz LPMQXWRHVLIANV-MQVJKMGUSA-N 2 1 366.303 3.122 20 0 FGADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000894742881 742326011 /nfs/dbraw/zinc/32/60/11/742326011.db2.gz LPMQXWRHVLIANV-MQVJKMGUSA-N 2 1 366.303 3.122 20 0 FGADMP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C1 ZINC000895479956 742416927 /nfs/dbraw/zinc/41/69/27/742416927.db2.gz YKXNRHPCHQBJSU-OKZBNKHCSA-N 2 1 351.535 3.001 20 0 FGADMP Cc1cn(C(C)(C)C(=O)Nc2nc3c(s2)CN(C(C)(C)C)CC3)cn1 ZINC000898013321 742733763 /nfs/dbraw/zinc/73/37/63/742733763.db2.gz VXNGNFLCMKTVRL-UHFFFAOYSA-N 2 1 361.515 3.178 20 0 FGADMP [NH3+]Cc1ncc(-c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)s1 ZINC000899998739 743040676 /nfs/dbraw/zinc/04/06/76/743040676.db2.gz HFLJXPHICHJTSN-UHFFFAOYSA-N 2 1 355.467 3.305 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000903847931 743888272 /nfs/dbraw/zinc/88/82/72/743888272.db2.gz WOWUBEODLRSTOA-PJODQICGSA-N 2 1 362.271 3.416 20 0 FGADMP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](Cc1coc(-c3ccc(Br)cc3)n1)C2 ZINC000903847931 743888276 /nfs/dbraw/zinc/88/82/76/743888276.db2.gz WOWUBEODLRSTOA-PJODQICGSA-N 2 1 362.271 3.416 20 0 FGADMP Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000904474206 743957080 /nfs/dbraw/zinc/95/70/80/743957080.db2.gz KDZIEMHFMFRWIC-PXAZEXFGSA-N 2 1 367.280 3.072 20 0 FGADMP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000906457627 744134318 /nfs/dbraw/zinc/13/43/18/744134318.db2.gz VWNDQXHOKHLAPD-GOSISDBHSA-N 2 1 361.555 3.296 20 0 FGADMP CCC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCSCC2)C1 ZINC000906457627 744134320 /nfs/dbraw/zinc/13/43/20/744134320.db2.gz VWNDQXHOKHLAPD-GOSISDBHSA-N 2 1 361.555 3.296 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=S)NC[C@H]1CCC[N@H+]1CC)c1ccsc1 ZINC000915126711 757884171 /nfs/dbraw/zinc/88/41/71/757884171.db2.gz LLKHGRBEYYEXJH-IAGOWNOFSA-N 2 1 368.616 3.079 20 0 FGADMP Cc1cccc(C)c1NC(=S)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000919719292 758466225 /nfs/dbraw/zinc/46/62/25/758466225.db2.gz WFOIOURYTZCYEM-UHFFFAOYSA-N 2 1 355.511 3.259 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)CCCC[NH+]1CCCC1)c1ccccc1Cl ZINC000920758509 758596770 /nfs/dbraw/zinc/59/67/70/758596770.db2.gz GWLMODHVYQEOFK-SFHVURJKSA-N 2 1 351.922 3.325 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)C1 ZINC000921688964 758771045 /nfs/dbraw/zinc/77/10/45/758771045.db2.gz MVLBPIYLXOKYRU-RCCFBDPRSA-N 2 1 353.551 3.390 20 0 FGADMP CSCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000921979054 758832463 /nfs/dbraw/zinc/83/24/63/758832463.db2.gz BPNOKZVXROKQET-OAQYLSRUSA-N 2 1 356.535 3.406 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(Br)cs1)C2 ZINC000922385287 758909278 /nfs/dbraw/zinc/90/92/78/758909278.db2.gz ADXWLKUOVHNEMK-FPCVCCKLSA-N 2 1 373.360 3.080 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(C(C)(C)C)s1)C2 ZINC000922388531 758910450 /nfs/dbraw/zinc/91/04/50/758910450.db2.gz QUNZSDBPCSPEPW-OAFZBRQQSA-N 2 1 351.560 3.010 20 0 FGADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc(F)c(F)cc3F)C2)[C@H]1C(C)C ZINC000922393590 758912697 /nfs/dbraw/zinc/91/26/97/758912697.db2.gz MCDQQGLWNYCZES-MKXGPGLRSA-N 2 1 356.432 3.063 20 0 FGADMP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ncccc1Cl ZINC000924632640 759366063 /nfs/dbraw/zinc/36/60/63/759366063.db2.gz SEPJEUVYKHMPGS-ZWKOTPCHSA-N 2 1 352.954 3.438 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@@H+]1C ZINC000925139234 759454158 /nfs/dbraw/zinc/45/41/58/759454158.db2.gz FQFZJAIUQXYPQW-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C2CC3(C2)CCN(C(=O)OC(C)(C)C)CC3)CC[N@H+]1C ZINC000925139234 759454162 /nfs/dbraw/zinc/45/41/62/759454162.db2.gz FQFZJAIUQXYPQW-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CCc4c3nccc4Cl)CC2)nc(C)[nH+]1 ZINC000925224676 759464946 /nfs/dbraw/zinc/46/49/46/759464946.db2.gz NXHCONFLDDPACG-KRWDZBQOSA-N 2 1 357.889 3.388 20 0 FGADMP CSc1nnc(CCC[NH2+][C@H](c2ccccc2)[C@H](C)[NH3+])n1CC(C)C ZINC000925489384 759496966 /nfs/dbraw/zinc/49/69/66/759496966.db2.gz XUVJLSQYEXCDJE-YJBOKZPZSA-N 2 1 361.559 3.267 20 0 FGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000925737171 759528374 /nfs/dbraw/zinc/52/83/74/759528374.db2.gz PTIGBZXFVSAQOT-RCCFBDPRSA-N 2 1 352.906 3.374 20 0 FGADMP CC(C)Oc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000925737157 759528414 /nfs/dbraw/zinc/52/84/14/759528414.db2.gz PTIGBZXFVSAQOT-FGTMMUONSA-N 2 1 352.906 3.374 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC[C@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926910228 759844678 /nfs/dbraw/zinc/84/46/78/759844678.db2.gz JNSJEPRADFUXSZ-LUKYLMHMSA-N 2 1 366.468 3.213 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C(F)(F)F)O2)[C@@H](C)C1 ZINC000926915710 759848057 /nfs/dbraw/zinc/84/80/57/759848057.db2.gz LTYCOPNZYQVUBL-LUKYLMHMSA-N 2 1 366.468 3.213 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000961857534 762753357 /nfs/dbraw/zinc/75/33/57/762753357.db2.gz VXQHJUNRTKITCP-SOTJZCEJSA-N 2 1 363.933 3.055 20 0 FGADMP Cc1cccc(Cl)c1C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000971563649 762913667 /nfs/dbraw/zinc/91/36/67/762913667.db2.gz PLPHDOAHMZCNJL-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000971563649 762913669 /nfs/dbraw/zinc/91/36/69/762913669.db2.gz PLPHDOAHMZCNJL-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971563649 762913672 /nfs/dbraw/zinc/91/36/72/762913672.db2.gz PLPHDOAHMZCNJL-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000971563649 762913675 /nfs/dbraw/zinc/91/36/75/762913675.db2.gz PLPHDOAHMZCNJL-BRWVUGGUSA-N 2 1 363.933 3.021 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(Cl)cc3)CC2(C)C)CC[N@@H+]1C ZINC000974604560 763035357 /nfs/dbraw/zinc/03/53/57/763035357.db2.gz GJWTWDCPQIWRNJ-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccc(Cl)cc3)CC2(C)C)CC[N@H+]1C ZINC000974604560 763035369 /nfs/dbraw/zinc/03/53/69/763035369.db2.gz GJWTWDCPQIWRNJ-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccc(Cl)cc3)CC2(C)C)CC[NH+]1C ZINC000974604560 763035374 /nfs/dbraw/zinc/03/53/74/763035374.db2.gz GJWTWDCPQIWRNJ-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC2(C)C)CC[NH+]1C ZINC000974604560 763035382 /nfs/dbraw/zinc/03/53/82/763035382.db2.gz GJWTWDCPQIWRNJ-OLMNPRSZSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]Cc3cc(Cl)ccc3Cl)C2)CC[N@H+]1C ZINC001018867122 765846292 /nfs/dbraw/zinc/84/62/92/765846292.db2.gz HBNALJJGQVDLKW-UHOFOFEASA-N 2 1 370.324 3.024 20 0 FGADMP CC[C@@H]([NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)c1ccc(Cl)cc1 ZINC001020171996 765865934 /nfs/dbraw/zinc/86/59/34/765865934.db2.gz HYDVALXSNCMSPH-NTDXCCSUSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2Cc2cc(C)sc2C)CC[N@H+]1C ZINC001027892713 766104500 /nfs/dbraw/zinc/10/45/00/766104500.db2.gz CJHWCUGCCZGVQC-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2Cc2cc(C)sc2C)CC[NH+]1C ZINC001027892713 766104506 /nfs/dbraw/zinc/10/45/06/766104506.db2.gz CJHWCUGCCZGVQC-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[N@H+]2Cc2cc(C)sc2C)CC[NH+]1C ZINC001027892713 766104509 /nfs/dbraw/zinc/10/45/09/766104509.db2.gz CJHWCUGCCZGVQC-GBESFXJTSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001031681470 766183194 /nfs/dbraw/zinc/18/31/94/766183194.db2.gz UHDREZLBTQOQHL-NIKGAXFTSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001046334423 766587032 /nfs/dbraw/zinc/58/70/32/766587032.db2.gz MSRLFEZKUGKTCO-NLWGTHIKSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001046334423 766587034 /nfs/dbraw/zinc/58/70/34/766587034.db2.gz MSRLFEZKUGKTCO-NLWGTHIKSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001046334423 766587041 /nfs/dbraw/zinc/58/70/41/766587041.db2.gz MSRLFEZKUGKTCO-NLWGTHIKSA-N 2 1 363.571 3.176 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccc(C(=O)Nc3ccc4c(c3)C[NH2+]C4)cc2)C[C@@H](C)O1 ZINC000570800532 505583405 /nfs/dbraw/zinc/58/34/05/505583405.db2.gz RTAUKIUOPPGEDS-HZPDHXFCSA-N 2 1 365.477 3.151 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000567983130 505590172 /nfs/dbraw/zinc/59/01/72/505590172.db2.gz QXBFAJIOJDZQPR-PXNSSMCTSA-N 2 1 371.550 3.323 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000579804938 505625324 /nfs/dbraw/zinc/62/53/24/505625324.db2.gz JMXPUAGHXMMTJG-KRWDZBQOSA-N 2 1 361.534 3.262 20 0 FGADMP CCN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000573902646 505647736 /nfs/dbraw/zinc/64/77/36/505647736.db2.gz KJVFPBVMQZDQBC-DKSSEZFCSA-N 2 1 355.448 3.313 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCc4cncn4C3)cc2)C1 ZINC000577066444 505656815 /nfs/dbraw/zinc/65/68/15/505656815.db2.gz SKFAYYDXLXMCHU-SJLPKXTDSA-N 2 1 352.482 3.316 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC[N@H+]1Cc1ccccc1 ZINC000573949756 505658653 /nfs/dbraw/zinc/65/86/53/505658653.db2.gz AUBVZJCXQVVPBR-NZSAHSFTSA-N 2 1 367.497 3.309 20 0 FGADMP C[NH+](C)CC1CCN(c2ccccc2NC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000580091710 505675775 /nfs/dbraw/zinc/67/57/75/505675775.db2.gz JVRQCLKRDNJWLM-UHFFFAOYSA-N 2 1 372.557 3.135 20 0 FGADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000057847015 493808684 /nfs/dbraw/zinc/80/86/84/493808684.db2.gz YFIBVYYJIJFYQJ-UHFFFAOYSA-N 2 1 355.885 3.471 20 0 FGADMP Cc1cccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000076109793 493824835 /nfs/dbraw/zinc/82/48/35/493824835.db2.gz OPBIWDFXXUNCRQ-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000076109793 493824838 /nfs/dbraw/zinc/82/48/38/493824838.db2.gz OPBIWDFXXUNCRQ-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000076109793 493824840 /nfs/dbraw/zinc/82/48/40/493824840.db2.gz OPBIWDFXXUNCRQ-FCHUYYIVSA-N 2 1 368.521 3.189 20 0 FGADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630945 493932902 /nfs/dbraw/zinc/93/29/02/493932902.db2.gz FWNIVXWEDBMQSG-SFHVURJKSA-N 2 1 354.498 3.333 20 0 FGADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630945 493932904 /nfs/dbraw/zinc/93/29/04/493932904.db2.gz FWNIVXWEDBMQSG-SFHVURJKSA-N 2 1 354.498 3.333 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630945 493932907 /nfs/dbraw/zinc/93/29/07/493932907.db2.gz FWNIVXWEDBMQSG-SFHVURJKSA-N 2 1 354.498 3.333 20 0 FGADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630945 493932910 /nfs/dbraw/zinc/93/29/10/493932910.db2.gz FWNIVXWEDBMQSG-SFHVURJKSA-N 2 1 354.498 3.333 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4c(n3)CCC4)CC2)C[C@H](C)O1 ZINC000580165088 505692972 /nfs/dbraw/zinc/69/29/72/505692972.db2.gz VMVJBIUHJKPFFD-HDICACEKSA-N 2 1 357.542 3.282 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000076776387 493968145 /nfs/dbraw/zinc/96/81/45/493968145.db2.gz ABMIDXQCRZGZSK-UHFFFAOYSA-N 2 1 374.529 3.027 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000076776387 493968148 /nfs/dbraw/zinc/96/81/48/493968148.db2.gz ABMIDXQCRZGZSK-UHFFFAOYSA-N 2 1 374.529 3.027 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000069729261 494003570 /nfs/dbraw/zinc/00/35/70/494003570.db2.gz XXSANSYRMJNZAZ-KRWDZBQOSA-N 2 1 364.559 3.011 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000062355591 494010231 /nfs/dbraw/zinc/01/02/31/494010231.db2.gz SHSPIZMVDBPQHD-RTWAWAEBSA-N 2 1 351.494 3.243 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2ccccc2F)CC1 ZINC000052208803 494012222 /nfs/dbraw/zinc/01/22/22/494012222.db2.gz SLQFEVICWTVBKU-UHFFFAOYSA-N 2 1 363.521 3.228 20 0 FGADMP C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000085364898 494117635 /nfs/dbraw/zinc/11/76/35/494117635.db2.gz LTQLEBMHOZIVOR-MOPGFXCFSA-N 2 1 374.573 3.269 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1c1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000064508791 494130108 /nfs/dbraw/zinc/13/01/08/494130108.db2.gz YNSDTWIDBPKPAL-IBGZPJMESA-N 2 1 361.917 3.220 20 0 FGADMP O=C(C[N@@H+]1CCC[C@H]1c1ccccc1Cl)NC1CC[NH+](C2CC2)CC1 ZINC000064508791 494130111 /nfs/dbraw/zinc/13/01/11/494130111.db2.gz YNSDTWIDBPKPAL-IBGZPJMESA-N 2 1 361.917 3.220 20 0 FGADMP COc1ccc([C@@H](CNC(=O)C[N@@H+](C)C2CCCC2)[NH+]2CCCCC2)cc1 ZINC000054117806 494196659 /nfs/dbraw/zinc/19/66/59/494196659.db2.gz FJOAXKIUVSYSMW-OAQYLSRUSA-N 2 1 373.541 3.213 20 0 FGADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(Br)c1OC ZINC000072726263 494241822 /nfs/dbraw/zinc/24/18/22/494241822.db2.gz IUBYULGUSJQTNG-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP Cc1nc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)sc1C ZINC000088603763 494251684 /nfs/dbraw/zinc/25/16/84/494251684.db2.gz CLAWTOCQJKQOOO-GASCZTMLSA-N 2 1 351.560 3.471 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000042910772 494251881 /nfs/dbraw/zinc/25/18/81/494251881.db2.gz QPSSEISTRQERLC-INIZCTEOSA-N 2 1 352.567 3.249 20 0 FGADMP CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000054720608 494264241 /nfs/dbraw/zinc/26/42/41/494264241.db2.gz HFINYXIQPIBQCT-AZUAARDMSA-N 2 1 360.546 3.051 20 0 FGADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC(F)(F)F)cc1 ZINC000577372469 505714991 /nfs/dbraw/zinc/71/49/91/505714991.db2.gz YAGZZMCWOBLRPR-QGZVFWFLSA-N 2 1 360.420 3.473 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cc1ccc(C(F)(F)F)cc1 ZINC000577385453 505717793 /nfs/dbraw/zinc/71/77/93/505717793.db2.gz JPZSXOYWHCODQK-SUMWQHHRSA-N 2 1 355.404 3.040 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)NCCC[NH+]3CCCC3)cc2)C1 ZINC000045121409 494399280 /nfs/dbraw/zinc/39/92/80/494399280.db2.gz OQYCGZDPTKZKTM-IBGZPJMESA-N 2 1 372.557 3.204 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000045121403 494399303 /nfs/dbraw/zinc/39/93/03/494399303.db2.gz WJZLKRJGHHWVLB-IBGZPJMESA-N 2 1 372.557 3.346 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000073661185 494408895 /nfs/dbraw/zinc/40/88/95/494408895.db2.gz PPEPVOIBSHZMEZ-IBGZPJMESA-N 2 1 352.567 3.157 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000073661185 494408897 /nfs/dbraw/zinc/40/88/97/494408897.db2.gz PPEPVOIBSHZMEZ-IBGZPJMESA-N 2 1 352.567 3.157 20 0 FGADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000073661185 494408900 /nfs/dbraw/zinc/40/89/00/494408900.db2.gz PPEPVOIBSHZMEZ-IBGZPJMESA-N 2 1 352.567 3.157 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000577405160 505720641 /nfs/dbraw/zinc/72/06/41/505720641.db2.gz VKHXBUIKGKFWPW-OAHLLOKOSA-N 2 1 355.486 3.012 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003574 494425839 /nfs/dbraw/zinc/42/58/39/494425839.db2.gz ZKHNFOAACFQJSB-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003574 494425842 /nfs/dbraw/zinc/42/58/42/494425842.db2.gz ZKHNFOAACFQJSB-QZTJIDSGSA-N 2 1 354.498 3.319 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2Br)CC1 ZINC000090400474 494462559 /nfs/dbraw/zinc/46/25/59/494462559.db2.gz FLGDNJHMKBXWKH-AWEZNQCLSA-N 2 1 355.320 3.081 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000074010931 494466272 /nfs/dbraw/zinc/46/62/72/494466272.db2.gz NDKVJMMQIDJWSP-IPMKNSEASA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000074228245 494501872 /nfs/dbraw/zinc/50/18/72/494501872.db2.gz GIAPDOSCNHVGCF-JKSUJKDBSA-N 2 1 357.498 3.345 20 0 FGADMP C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+]1CCCCCC1 ZINC000074249784 494504195 /nfs/dbraw/zinc/50/41/95/494504195.db2.gz CPKYZNUCRJUITD-KRWDZBQOSA-N 2 1 361.555 3.438 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)N(CC)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000067280755 494507562 /nfs/dbraw/zinc/50/75/62/494507562.db2.gz BKGMEGJXQYEEFN-HXUWFJFHSA-N 2 1 360.546 3.012 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000074319169 494517200 /nfs/dbraw/zinc/51/72/00/494517200.db2.gz QSNHFHDSSUWPAP-TZIWHRDSSA-N 2 1 357.542 3.260 20 0 FGADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000074352759 494523723 /nfs/dbraw/zinc/52/37/23/494523723.db2.gz KWYVELRKGJPVEL-LJQANCHMSA-N 2 1 352.567 3.158 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000074710548 494579094 /nfs/dbraw/zinc/57/90/94/494579094.db2.gz FZABBXCGIADOFO-RBUKOAKNSA-N 2 1 364.578 3.157 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000091335974 494586390 /nfs/dbraw/zinc/58/63/90/494586390.db2.gz LFEQAQKRNFEVMK-RDTXWAMCSA-N 2 1 367.331 3.119 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(C[NH2+]C/C=C/c3ccccc3)c2)C1 ZINC000108420710 494703241 /nfs/dbraw/zinc/70/32/41/494703241.db2.gz YIKOSLRTRRDWAN-PXWJQCMDSA-N 2 1 363.505 3.187 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080599034 494742541 /nfs/dbraw/zinc/74/25/41/494742541.db2.gz YXOVITWNZJKLON-ZWKOTPCHSA-N 2 1 359.514 3.220 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000080610649 494744143 /nfs/dbraw/zinc/74/41/43/494744143.db2.gz DLSBODCLJPERRD-RBUKOAKNSA-N 2 1 373.566 3.357 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccccc1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126483067 494767039 /nfs/dbraw/zinc/76/70/39/494767039.db2.gz KWJIUITUUAEXLQ-FCEUIQTBSA-N 2 1 367.537 3.126 20 0 FGADMP C[N@@H+](CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C1CCCCC1 ZINC000075529376 494786724 /nfs/dbraw/zinc/78/67/24/494786724.db2.gz RYVQRGBMHYJVRE-UHFFFAOYSA-N 2 1 352.567 3.249 20 0 FGADMP COc1ccc2ccccc2c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093146865 494834632 /nfs/dbraw/zinc/83/46/32/494834632.db2.gz QGEARQRULSAGOD-HXUWFJFHSA-N 2 1 367.537 3.450 20 0 FGADMP COc1ccc2ccccc2c1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093146865 494834638 /nfs/dbraw/zinc/83/46/38/494834638.db2.gz QGEARQRULSAGOD-HXUWFJFHSA-N 2 1 367.537 3.450 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Br)cc1F ZINC000126852631 494849630 /nfs/dbraw/zinc/84/96/30/494849630.db2.gz GBJLAPZGWMNJIG-UKRRQHHQSA-N 2 1 373.310 3.476 20 0 FGADMP Cc1sc2nc(C[NH+]3CCC(CCC[NH+](C)C)CC3)nc(N)c2c1C ZINC000093256739 494851965 /nfs/dbraw/zinc/85/19/65/494851965.db2.gz LVHSLGYWDSJKND-UHFFFAOYSA-N 2 1 361.559 3.444 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)CC2)cs1 ZINC000121789751 494860614 /nfs/dbraw/zinc/86/06/14/494860614.db2.gz PGBXEKFFTSTNFO-QRVBRYPASA-N 2 1 361.555 3.211 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)oc1C ZINC000121800378 494862717 /nfs/dbraw/zinc/86/27/17/494862717.db2.gz FEDNTYWEMXYAAO-NRSPTQNISA-N 2 1 373.541 3.441 20 0 FGADMP COCCCOc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000121807282 494864950 /nfs/dbraw/zinc/86/49/50/494864950.db2.gz BRZXFVFHGZMLEB-UHFFFAOYSA-N 2 1 357.498 3.290 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCOc3cc4c(cc32)CCC4)CC1 ZINC000121906209 494886555 /nfs/dbraw/zinc/88/65/55/494886555.db2.gz XZULMCUZIGRGJX-QFIPXVFZSA-N 2 1 371.569 3.396 20 0 FGADMP Cc1nc(COc2ccc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)no1 ZINC000093564095 494901369 /nfs/dbraw/zinc/90/13/69/494901369.db2.gz GXAHOZHGEJRBOR-LJQANCHMSA-N 2 1 370.497 3.407 20 0 FGADMP Cc1nc(COc2ccc(C[N@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)cc2)no1 ZINC000093564095 494901371 /nfs/dbraw/zinc/90/13/71/494901371.db2.gz GXAHOZHGEJRBOR-LJQANCHMSA-N 2 1 370.497 3.407 20 0 FGADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc3c(C)cccn23)CC1 ZINC000093769447 494919156 /nfs/dbraw/zinc/91/91/56/494919156.db2.gz PJGLRRFASLIOSW-UHFFFAOYSA-N 2 1 358.530 3.213 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000571506616 505749818 /nfs/dbraw/zinc/74/98/18/505749818.db2.gz QEGLKMMEJJPTMK-HXUWFJFHSA-N 2 1 360.546 3.189 20 0 FGADMP CCn1nc(C)c(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C ZINC000093844292 494927135 /nfs/dbraw/zinc/92/71/35/494927135.db2.gz BTCCQKZDQRXVPB-CALCHBBNSA-N 2 1 362.562 3.231 20 0 FGADMP COc1ccc(OC)c([C@H](C)[NH2+]Cc2ccccc2OCC[NH+](C)C)c1 ZINC000122285427 494952332 /nfs/dbraw/zinc/95/23/32/494952332.db2.gz VUIPCCIINAQGLG-INIZCTEOSA-N 2 1 358.482 3.495 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccc(C)n2)[C@H](C)C1 ZINC000127603180 494969154 /nfs/dbraw/zinc/96/91/54/494969154.db2.gz QWPSYYSSLIEYDD-NQIIRXRSSA-N 2 1 370.541 3.407 20 0 FGADMP CCC[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000118029842 494971516 /nfs/dbraw/zinc/97/15/16/494971516.db2.gz OMCZGDZWXPWGLN-GOSISDBHSA-N 2 1 374.529 3.029 20 0 FGADMP CCC[N@H+]1CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)CC1 ZINC000118029842 494971521 /nfs/dbraw/zinc/97/15/21/494971521.db2.gz OMCZGDZWXPWGLN-GOSISDBHSA-N 2 1 374.529 3.029 20 0 FGADMP C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1Cl ZINC000127977631 495025525 /nfs/dbraw/zinc/02/55/25/495025525.db2.gz DGLDIGYRIFKXAS-STQMWFEESA-N 2 1 358.313 3.231 20 0 FGADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000098144816 495061373 /nfs/dbraw/zinc/06/13/73/495061373.db2.gz UWAFUFBYDWVIGR-AEFFLSMTSA-N 2 1 367.331 3.119 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)c1nc2ccccc2s1 ZINC000128411640 495092298 /nfs/dbraw/zinc/09/22/98/495092298.db2.gz JKZSOPLZLMPPKQ-DLBZAZTESA-N 2 1 360.571 3.406 20 0 FGADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC(F)F)cc1 ZINC000128573043 495118587 /nfs/dbraw/zinc/11/85/87/495118587.db2.gz FROAGILBCLDKNZ-GOSISDBHSA-N 2 1 355.473 3.356 20 0 FGADMP CCc1nc(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)sc1C ZINC000123520297 495146111 /nfs/dbraw/zinc/14/61/11/495146111.db2.gz NGRGWJYPHABUJY-UHFFFAOYSA-N 2 1 352.548 3.006 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@@H+]1C ZINC000123578780 495154855 /nfs/dbraw/zinc/15/48/55/495154855.db2.gz CPDILXNWOQBBFY-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[N@H+]1C ZINC000123578780 495154858 /nfs/dbraw/zinc/15/48/58/495154858.db2.gz CPDILXNWOQBBFY-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123578780 495154862 /nfs/dbraw/zinc/15/48/62/495154862.db2.gz CPDILXNWOQBBFY-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2cc(Cl)ccc2Cl)CC[NH+]1C ZINC000123578780 495154866 /nfs/dbraw/zinc/15/48/66/495154866.db2.gz CPDILXNWOQBBFY-SNPRPXQTSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccc(F)cc1F ZINC000112542219 495203416 /nfs/dbraw/zinc/20/34/16/495203416.db2.gz XSOSLVGTWLKQQF-AWEZNQCLSA-N 2 1 361.436 3.107 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000119656249 495211699 /nfs/dbraw/zinc/21/16/99/495211699.db2.gz KXGLQYVMIOAOGD-INIZCTEOSA-N 2 1 357.498 3.202 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870897 495213515 /nfs/dbraw/zinc/21/35/15/495213515.db2.gz CNVBOAPGLDNYMH-XLIONFOSSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870897 495213518 /nfs/dbraw/zinc/21/35/18/495213518.db2.gz CNVBOAPGLDNYMH-XLIONFOSSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134870897 495213520 /nfs/dbraw/zinc/21/35/20/495213520.db2.gz CNVBOAPGLDNYMH-XLIONFOSSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134870897 495213524 /nfs/dbraw/zinc/21/35/24/495213524.db2.gz CNVBOAPGLDNYMH-XLIONFOSSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134906795 495220928 /nfs/dbraw/zinc/22/09/28/495220928.db2.gz NORAWANWJWOMNF-DYESRHJHSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134906795 495220933 /nfs/dbraw/zinc/22/09/33/495220933.db2.gz NORAWANWJWOMNF-DYESRHJHSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134906795 495220938 /nfs/dbraw/zinc/22/09/38/495220938.db2.gz NORAWANWJWOMNF-DYESRHJHSA-N 2 1 371.525 3.363 20 0 FGADMP CCOc1ccc(NC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134906795 495220941 /nfs/dbraw/zinc/22/09/41/495220941.db2.gz NORAWANWJWOMNF-DYESRHJHSA-N 2 1 371.525 3.363 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH+]3CCCC3)cc2)C1 ZINC000112742449 495234064 /nfs/dbraw/zinc/23/40/64/495234064.db2.gz BSSMCLNOEIMVFO-LJQANCHMSA-N 2 1 372.557 3.156 20 0 FGADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000129490118 495252563 /nfs/dbraw/zinc/25/25/63/495252563.db2.gz SNHBEYOHMOLPNA-UTKZUKDTSA-N 2 1 351.494 3.235 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]1CCCc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000135359146 495281857 /nfs/dbraw/zinc/28/18/57/495281857.db2.gz UPSHZEYPNIWXMJ-OAQYLSRUSA-N 2 1 369.553 3.217 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CCCc2ccccc2)CC1 ZINC000135365858 495282690 /nfs/dbraw/zinc/28/26/90/495282690.db2.gz CPJRYSBSSJYFNP-QFIPXVFZSA-N 2 1 371.569 3.463 20 0 FGADMP Cc1cc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000113513802 495308251 /nfs/dbraw/zinc/30/82/51/495308251.db2.gz NZVROSPEDQJULC-SJORKVTESA-N 2 1 368.949 3.395 20 0 FGADMP Cc1cc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(C(C)C)cc1Cl ZINC000113513802 495308255 /nfs/dbraw/zinc/30/82/55/495308255.db2.gz NZVROSPEDQJULC-SJORKVTESA-N 2 1 368.949 3.395 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C[C@H]2CCOC2)C2CC2)CC1 ZINC000129971131 495321847 /nfs/dbraw/zinc/32/18/47/495321847.db2.gz SUPKZUYMEVLIJS-LJQANCHMSA-N 2 1 357.542 3.220 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2CC[NH+](CCC(C)C)CC2)[C@H](C)C1 ZINC000129983559 495324390 /nfs/dbraw/zinc/32/43/90/495324390.db2.gz YOSSQVRUUARBKV-UYAOXDASSA-N 2 1 366.594 3.116 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000113901153 495334417 /nfs/dbraw/zinc/33/44/17/495334417.db2.gz CDCAJZCPKRASND-QUCCMNQESA-N 2 1 357.542 3.475 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000120341029 495356542 /nfs/dbraw/zinc/35/65/42/495356542.db2.gz BQUDJADNPFJEKG-SJBKTWHCSA-N 2 1 359.558 3.382 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000114453824 495375769 /nfs/dbraw/zinc/37/57/69/495375769.db2.gz NIJRMXYKFUDXHJ-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000114453824 495375773 /nfs/dbraw/zinc/37/57/73/495375773.db2.gz NIJRMXYKFUDXHJ-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571633507 505778286 /nfs/dbraw/zinc/77/82/86/505778286.db2.gz BHOAOGYQLYHRCJ-AEFFLSMTSA-N 2 1 367.896 3.248 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000571633507 505778291 /nfs/dbraw/zinc/77/82/91/505778291.db2.gz BHOAOGYQLYHRCJ-AEFFLSMTSA-N 2 1 367.896 3.248 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000114644618 495403937 /nfs/dbraw/zinc/40/39/37/495403937.db2.gz YLJXQYQQBHEZMQ-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000120556025 495404290 /nfs/dbraw/zinc/40/42/90/495404290.db2.gz WQUNGSXIKOGKCH-QGZVFWFLSA-N 2 1 354.542 3.265 20 0 FGADMP CCc1cc2c(C[N@@H+](C)CCCn3ccnc3C)cc(=O)oc2cc1O ZINC000130684394 495429295 /nfs/dbraw/zinc/42/92/95/495429295.db2.gz QSIFGTAEHQIZGY-UHFFFAOYSA-N 2 1 355.438 3.088 20 0 FGADMP CCc1cc2c(C[N@H+](C)CCCn3cc[nH+]c3C)cc(=O)oc2cc1O ZINC000130684394 495429298 /nfs/dbraw/zinc/42/92/98/495429298.db2.gz QSIFGTAEHQIZGY-UHFFFAOYSA-N 2 1 355.438 3.088 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670410 495430844 /nfs/dbraw/zinc/43/08/44/495430844.db2.gz COHHZIMLAMQDDO-GCJKJVERSA-N 3 1 359.558 3.227 20 0 FGADMP CCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)[C@H](C)C1 ZINC000120670410 495430847 /nfs/dbraw/zinc/43/08/47/495430847.db2.gz COHHZIMLAMQDDO-GCJKJVERSA-N 2 1 359.558 3.227 20 0 FGADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106388344 495450750 /nfs/dbraw/zinc/45/07/50/495450750.db2.gz SROVAUUZNOTIST-HNAYVOBHSA-N 2 1 354.922 3.195 20 0 FGADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)CO[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000106388344 495450751 /nfs/dbraw/zinc/45/07/51/495450751.db2.gz SROVAUUZNOTIST-HNAYVOBHSA-N 2 1 354.922 3.195 20 0 FGADMP C[N@@H+](CCNC(=O)C1CC[NH+](Cc2cccs2)CC1)Cc1ccccc1 ZINC000130903698 495463977 /nfs/dbraw/zinc/46/39/77/495463977.db2.gz ZITDXBADUGBHRK-UHFFFAOYSA-N 2 1 371.550 3.208 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(Cc3nc4sc5c(c4c(N)n3)CCCC5)CC[C@@H]21 ZINC000140021513 495487501 /nfs/dbraw/zinc/48/75/01/495487501.db2.gz MMZKIUQJHMHJKY-ZFWWWQNUSA-N 2 1 371.554 3.068 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125755857 495494322 /nfs/dbraw/zinc/49/43/22/495494322.db2.gz ZNJXHCQOZZJWIG-QAPCUYQASA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125755857 495494326 /nfs/dbraw/zinc/49/43/26/495494326.db2.gz ZNJXHCQOZZJWIG-QAPCUYQASA-N 2 1 351.922 3.008 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)NCc2ccccc2Cl)[C@H](C)C1 ZINC000125755857 495494331 /nfs/dbraw/zinc/49/43/31/495494331.db2.gz ZNJXHCQOZZJWIG-QAPCUYQASA-N 2 1 351.922 3.008 20 0 FGADMP COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000125828888 495504769 /nfs/dbraw/zinc/50/47/69/495504769.db2.gz XTHIJSZSEZTOAI-LJQANCHMSA-N 2 1 356.470 3.083 20 0 FGADMP COc1ccc(NC(=O)[C@H]2CCC[N@H+]2CCCCn2cc[nH+]c2C)cc1 ZINC000125828888 495504772 /nfs/dbraw/zinc/50/47/72/495504772.db2.gz XTHIJSZSEZTOAI-LJQANCHMSA-N 2 1 356.470 3.083 20 0 FGADMP Cc1nc2ccccc2n1CCNC(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000125857155 495509415 /nfs/dbraw/zinc/50/94/15/495509415.db2.gz MJNXLSSTEVNFCD-INIZCTEOSA-N 2 1 369.513 3.003 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(Cl)ccc4cccnc43)C2)CC1 ZINC000107368162 495525937 /nfs/dbraw/zinc/52/59/37/495525937.db2.gz LHRJBDTTXSPIAU-QGZVFWFLSA-N 2 1 358.917 3.100 20 0 FGADMP CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000170647864 495545281 /nfs/dbraw/zinc/54/52/81/495545281.db2.gz CQUPHEBIXJQMNW-KRWDZBQOSA-N 2 1 356.470 3.219 20 0 FGADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182426308 495559410 /nfs/dbraw/zinc/55/94/10/495559410.db2.gz BBQSCWIRYJGDOM-XZOQPEGZSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182426308 495559416 /nfs/dbraw/zinc/55/94/16/495559416.db2.gz BBQSCWIRYJGDOM-XZOQPEGZSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@H](O)CCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182426308 495559423 /nfs/dbraw/zinc/55/94/23/495559423.db2.gz BBQSCWIRYJGDOM-XZOQPEGZSA-N 2 1 352.522 3.434 20 0 FGADMP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182444084 495566383 /nfs/dbraw/zinc/56/63/83/495566383.db2.gz DDOJEGUDKUBSNE-XLIONFOSSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@@H+]1C ZINC000154316954 495579170 /nfs/dbraw/zinc/57/91/70/495579170.db2.gz QZQBJNLBFRCULS-YLJYHZDGSA-N 2 1 368.525 3.378 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3coc(-c4ccccc4)n3)CC2)CC[N@H+]1C ZINC000154316954 495579175 /nfs/dbraw/zinc/57/91/75/495579175.db2.gz QZQBJNLBFRCULS-YLJYHZDGSA-N 2 1 368.525 3.378 20 0 FGADMP CCOC[C@H]1CC[NH+](Cc2ccc(C[N@@H+]3CC[C@H](COCC)C3)cc2)C1 ZINC000176322371 495600248 /nfs/dbraw/zinc/60/02/48/495600248.db2.gz WFIDJMZUADDSGT-VXKWHMMOSA-N 2 1 360.542 3.403 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2cc3ccccc3o2)CC1 ZINC000173618805 495617727 /nfs/dbraw/zinc/61/77/27/495617727.db2.gz WPYGUCCJXRGGPM-JKSUJKDBSA-N 2 1 357.498 3.461 20 0 FGADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC(F)F)cc1 ZINC000158977233 495629465 /nfs/dbraw/zinc/62/94/65/495629465.db2.gz SFUYDIKTOJSDKF-SJLPKXTDSA-N 2 1 356.457 3.422 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000182671771 495658491 /nfs/dbraw/zinc/65/84/91/495658491.db2.gz OHWYUTZGUNOYDG-MJGOQNOKSA-N 2 1 364.578 3.061 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](CC2CCOCC2)CC1 ZINC000179626907 495665737 /nfs/dbraw/zinc/66/57/37/495665737.db2.gz DDBIRDPFHOYWOC-UHFFFAOYSA-N 2 1 373.585 3.189 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185694009 495682011 /nfs/dbraw/zinc/68/20/11/495682011.db2.gz IXCVMVRLZQXSHP-TXPKVOOTSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185694009 495682014 /nfs/dbraw/zinc/68/20/14/495682014.db2.gz IXCVMVRLZQXSHP-TXPKVOOTSA-N 2 1 359.489 3.174 20 0 FGADMP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693454 495682453 /nfs/dbraw/zinc/68/24/53/495682453.db2.gz SWNOZMLFPYTIMH-QZTJIDSGSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693454 495682459 /nfs/dbraw/zinc/68/24/59/495682459.db2.gz SWNOZMLFPYTIMH-QZTJIDSGSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185693469 495682590 /nfs/dbraw/zinc/68/25/90/495682590.db2.gz SWNOZMLFPYTIMH-ROUUACIJSA-N 2 1 364.555 3.093 20 0 FGADMP C[C@H]([NH2+]CCCS(=O)(=O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185693469 495682595 /nfs/dbraw/zinc/68/25/95/495682595.db2.gz SWNOZMLFPYTIMH-ROUUACIJSA-N 2 1 364.555 3.093 20 0 FGADMP Cc1ccc(NCCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)[nH+]c1 ZINC000173781553 495690295 /nfs/dbraw/zinc/69/02/95/495690295.db2.gz CLEKDTQINZRTMW-UHFFFAOYSA-N 2 1 366.465 3.430 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCc1ccc(F)cc1 ZINC000185706505 495690571 /nfs/dbraw/zinc/69/05/71/495690571.db2.gz LDDNRUFSYNUHMY-XYJFISCASA-N 2 1 361.505 3.073 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCc1ccc(F)cc1 ZINC000185706505 495690576 /nfs/dbraw/zinc/69/05/76/495690576.db2.gz LDDNRUFSYNUHMY-XYJFISCASA-N 2 1 361.505 3.073 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1=O ZINC000185711429 495692192 /nfs/dbraw/zinc/69/21/92/495692192.db2.gz DLDKSNKGRQTQTN-JENIJYKNSA-N 2 1 371.525 3.043 20 0 FGADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000185711429 495692195 /nfs/dbraw/zinc/69/21/95/495692195.db2.gz DLDKSNKGRQTQTN-JENIJYKNSA-N 2 1 371.525 3.043 20 0 FGADMP CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000185715860 495695109 /nfs/dbraw/zinc/69/51/09/495695109.db2.gz KMZDAEJRMXQKOH-JKSUJKDBSA-N 2 1 350.478 3.010 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185725865 495698846 /nfs/dbraw/zinc/69/88/46/495698846.db2.gz WRMZMHHJCHPLFM-RTBURBONSA-N 2 1 369.553 3.425 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC1(c2ccccc2)CCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185725865 495698850 /nfs/dbraw/zinc/69/88/50/495698850.db2.gz WRMZMHHJCHPLFM-RTBURBONSA-N 2 1 369.553 3.425 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185734724 495702484 /nfs/dbraw/zinc/70/24/84/495702484.db2.gz DXRHALSWTMDFSY-IXDOHACOSA-N 2 1 361.534 3.034 20 0 FGADMP CC(C)n1nccc1NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185734724 495702488 /nfs/dbraw/zinc/70/24/88/495702488.db2.gz DXRHALSWTMDFSY-IXDOHACOSA-N 2 1 361.534 3.034 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185737175 495703482 /nfs/dbraw/zinc/70/34/82/495703482.db2.gz KETQTZKRUOLAPC-AZUAARDMSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H]([NH2+]CC(=O)N(Cc1ccccc1)C1CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185737175 495703490 /nfs/dbraw/zinc/70/34/90/495703490.db2.gz KETQTZKRUOLAPC-AZUAARDMSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000182820109 495715822 /nfs/dbraw/zinc/71/58/22/495715822.db2.gz YGDWLOUVHKCWEU-NLWGTHIKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000182820109 495715829 /nfs/dbraw/zinc/71/58/29/495715829.db2.gz YGDWLOUVHKCWEU-NLWGTHIKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000182820109 495715835 /nfs/dbraw/zinc/71/58/35/495715835.db2.gz YGDWLOUVHKCWEU-NLWGTHIKSA-N 2 1 369.553 3.202 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000182820109 495715843 /nfs/dbraw/zinc/71/58/43/495715843.db2.gz YGDWLOUVHKCWEU-NLWGTHIKSA-N 2 1 369.553 3.202 20 0 FGADMP CN(c1ccccc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000151084702 495732768 /nfs/dbraw/zinc/73/27/68/495732768.db2.gz GOJDWNWFYWSRNT-FPOVZHCZSA-N 3 1 358.574 3.179 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171174196 495753861 /nfs/dbraw/zinc/75/38/61/495753861.db2.gz URKLHCNEROXYHH-ZWKOTPCHSA-N 2 1 364.578 3.061 20 0 FGADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000173962146 495766666 /nfs/dbraw/zinc/76/66/66/495766666.db2.gz HMGBPCOYJIJROH-UHFFFAOYSA-N 2 1 368.525 3.008 20 0 FGADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cn(C)nc3C(C)(C)C)CC2)C[C@H](C)O1 ZINC000179884320 495770139 /nfs/dbraw/zinc/77/01/39/495770139.db2.gz KHYCGCYWIZYGGF-CALCHBBNSA-N 2 1 362.562 3.039 20 0 FGADMP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174072307 495811126 /nfs/dbraw/zinc/81/11/26/495811126.db2.gz ZDQVWQXECZHXGC-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP COc1cccc(C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc2)c1 ZINC000151359624 495815211 /nfs/dbraw/zinc/81/52/11/495815211.db2.gz AVKYQHAXCKNHBF-QHCPKHFHSA-N 2 1 368.521 3.415 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccco2)CC[N@@H+]1Cc1ccccc1 ZINC000176917328 495840024 /nfs/dbraw/zinc/84/00/24/495840024.db2.gz BVTGVTJXXJRPEP-NRSPTQNISA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COCc2ccco2)CC[N@H+]1Cc1ccccc1 ZINC000176917328 495840033 /nfs/dbraw/zinc/84/00/33/495840033.db2.gz BVTGVTJXXJRPEP-NRSPTQNISA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000176917328 495840038 /nfs/dbraw/zinc/84/00/38/495840038.db2.gz BVTGVTJXXJRPEP-NRSPTQNISA-N 2 1 372.509 3.142 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COCc2ccco2)CC[NH+]1Cc1ccccc1 ZINC000176917328 495840044 /nfs/dbraw/zinc/84/00/44/495840044.db2.gz BVTGVTJXXJRPEP-NRSPTQNISA-N 2 1 372.509 3.142 20 0 FGADMP CC(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180128812 495870309 /nfs/dbraw/zinc/87/03/09/495870309.db2.gz BRZNHIKONZOHJA-FRIKZZABSA-N 2 1 355.526 3.030 20 0 FGADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)Cc1ccccc1 ZINC000180132644 495873260 /nfs/dbraw/zinc/87/32/60/495873260.db2.gz HLPWQAVQHNQLMJ-WVUPVLJSSA-N 2 1 350.506 3.375 20 0 FGADMP Cc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc2ccccc12 ZINC000174240189 495877493 /nfs/dbraw/zinc/87/74/93/495877493.db2.gz HWPPWUPXKUOEGJ-UHFFFAOYSA-N 2 1 354.498 3.015 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264613 495887052 /nfs/dbraw/zinc/88/70/52/495887052.db2.gz UWCPZISPQWPPET-CEXWTWQISA-N 2 1 366.594 3.116 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264613 495887047 /nfs/dbraw/zinc/88/70/47/495887047.db2.gz UWCPZISPQWPPET-CEXWTWQISA-N 2 1 366.594 3.116 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000174264613 495887055 /nfs/dbraw/zinc/88/70/55/495887055.db2.gz UWCPZISPQWPPET-CEXWTWQISA-N 2 1 366.594 3.116 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](c3nccn3C)C3CC3)CC2)cs1 ZINC000183276303 495912153 /nfs/dbraw/zinc/91/21/53/495912153.db2.gz YJTGFQYYOACXSJ-IBGZPJMESA-N 2 1 373.570 3.392 20 0 FGADMP O=C(C[N@@H+](C1CC1)C1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000171616648 495949193 /nfs/dbraw/zinc/94/91/93/495949193.db2.gz HUEDGWYDVVSOCG-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP C[NH+]1CCC([NH2+]CC2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000177278571 496004352 /nfs/dbraw/zinc/00/43/52/496004352.db2.gz WMEHLUVVZOMABB-UHFFFAOYSA-N 2 1 367.331 3.181 20 0 FGADMP COc1cccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+](C)C)c1 ZINC000177600796 496128531 /nfs/dbraw/zinc/12/85/31/496128531.db2.gz NXBBCKOVGDMMPZ-NQIIRXRSSA-N 2 1 373.541 3.069 20 0 FGADMP COCC[NH2+]C1CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000568991381 505825231 /nfs/dbraw/zinc/82/52/31/505825231.db2.gz SCGDRENXLZDELO-UHFFFAOYSA-N 2 1 374.312 3.022 20 0 FGADMP O=C(NCc1ccc(Cn2ccnc2)cc1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000177674733 496155199 /nfs/dbraw/zinc/15/51/99/496155199.db2.gz ZVTOONCDFWTYBF-HXUWFJFHSA-N 2 1 366.509 3.202 20 0 FGADMP CCCn1c(C)nnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000156377347 496228234 /nfs/dbraw/zinc/22/82/34/496228234.db2.gz JWDCJXODYBJLEQ-UHFFFAOYSA-N 2 1 355.530 3.341 20 0 FGADMP CCCn1c(C)nnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000156377347 496228241 /nfs/dbraw/zinc/22/82/41/496228241.db2.gz JWDCJXODYBJLEQ-UHFFFAOYSA-N 2 1 355.530 3.341 20 0 FGADMP C[C@@H](c1ccc(NC(=O)CC2(C[NH3+])CCCCC2)cc1)[NH+]1CCOCC1 ZINC000184234509 496298628 /nfs/dbraw/zinc/29/86/28/496298628.db2.gz QFTDLIAAWPDAGI-KRWDZBQOSA-N 2 1 359.514 3.318 20 0 FGADMP Cc1cncc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000184275242 496315458 /nfs/dbraw/zinc/31/54/58/496315458.db2.gz VFRAUEOGADGYNQ-DENIHFKCSA-N 2 1 352.526 3.419 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000162441884 496353090 /nfs/dbraw/zinc/35/30/90/496353090.db2.gz YAIHLPGUTRGLRW-GOSISDBHSA-N 2 1 368.525 3.246 20 0 FGADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cn1c2ccccc2c2ccccc21 ZINC000578006718 505840052 /nfs/dbraw/zinc/84/00/52/505840052.db2.gz QJSICKUAZTXVCT-LJQANCHMSA-N 2 1 363.505 3.372 20 0 FGADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000187478367 496458069 /nfs/dbraw/zinc/45/80/69/496458069.db2.gz SPYLJGBCSHPXTL-RTWAWAEBSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000187478367 496458073 /nfs/dbraw/zinc/45/80/73/496458073.db2.gz SPYLJGBCSHPXTL-RTWAWAEBSA-N 2 1 374.573 3.126 20 0 FGADMP CC(C)[C@H](C[NH+](C)Cc1ccccc1)NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000187478367 496458077 /nfs/dbraw/zinc/45/80/77/496458077.db2.gz SPYLJGBCSHPXTL-RTWAWAEBSA-N 2 1 374.573 3.126 20 0 FGADMP Cn1cc([C@H](c2cccc(F)c2)[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926109 505847164 /nfs/dbraw/zinc/84/71/64/505847164.db2.gz JMRCFIFUDQUANB-UTKZUKDTSA-N 2 1 370.447 3.462 20 0 FGADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)cn1 ZINC000571926109 505847169 /nfs/dbraw/zinc/84/71/69/505847169.db2.gz JMRCFIFUDQUANB-UTKZUKDTSA-N 2 1 370.447 3.462 20 0 FGADMP O=C(C[C@H]1CCC[NH2+]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000163371390 496506109 /nfs/dbraw/zinc/50/61/09/496506109.db2.gz ZTBYGHNNHUNBPQ-OAQYLSRUSA-N 2 1 363.505 3.062 20 0 FGADMP CC(C)N(C(=O)C[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C)C(C)C ZINC000184740440 496514132 /nfs/dbraw/zinc/51/41/32/496514132.db2.gz DHJMNRYDTIEDNC-RTBURBONSA-N 2 1 359.558 3.378 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000163443713 496516680 /nfs/dbraw/zinc/51/66/80/496516680.db2.gz JRGOQBLNVJOWMW-HXUWFJFHSA-N 2 1 357.542 3.279 20 0 FGADMP C[NH+](C)CCOc1cnccc1C[NH2+]Cc1ccccc1OC(F)(F)F ZINC000578044894 505849022 /nfs/dbraw/zinc/84/90/22/505849022.db2.gz WTGOKYXMBAGDPQ-UHFFFAOYSA-N 2 1 369.387 3.210 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H]3CN(Cc4ccccc4)C[C@@H]3C)CC2)[nH+]c1 ZINC000163507033 496525265 /nfs/dbraw/zinc/52/52/65/496525265.db2.gz QUDRFFYMBHCKJE-SIKLNZKXSA-N 2 1 364.537 3.469 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@@H+](CC(C)C)C3)CC2)[nH+]c1 ZINC000178646913 496528044 /nfs/dbraw/zinc/52/80/44/496528044.db2.gz LCXNEVIKAJYXBU-IBGZPJMESA-N 2 1 372.557 3.091 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NC[C@@H]3CCC[N@H+](CC(C)C)C3)CC2)[nH+]c1 ZINC000178646913 496528048 /nfs/dbraw/zinc/52/80/48/496528048.db2.gz LCXNEVIKAJYXBU-IBGZPJMESA-N 2 1 372.557 3.091 20 0 FGADMP C[C@@H]1CN(c2ccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)cn2)CCO1 ZINC000157683041 496528782 /nfs/dbraw/zinc/52/87/82/496528782.db2.gz JNZJIKCDTZZASL-GOSISDBHSA-N 2 1 372.557 3.193 20 0 FGADMP Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(-n4cncn4)cc3)CC2)[nH+]c1 ZINC000163538627 496529689 /nfs/dbraw/zinc/52/96/89/496529689.db2.gz WSBJTYHIRXJNFR-KRWDZBQOSA-N 2 1 362.481 3.290 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136768 496564852 /nfs/dbraw/zinc/56/48/52/496564852.db2.gz MULAYHLHGBZNNJ-MBOZVWFJSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@H](c1ccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1)[NH+]1CCOCC1 ZINC000173136768 496564857 /nfs/dbraw/zinc/56/48/57/496564857.db2.gz MULAYHLHGBZNNJ-MBOZVWFJSA-N 2 1 374.529 3.026 20 0 FGADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000157929164 496588566 /nfs/dbraw/zinc/58/85/66/496588566.db2.gz UYOADKHDJJBDAD-GJZGRUSLSA-N 2 1 357.340 3.136 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164785409 496632466 /nfs/dbraw/zinc/63/24/66/496632466.db2.gz XTZXPNIKSMKIJS-OAQYLSRUSA-N 2 1 371.569 3.383 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccccc1Cl ZINC000182012523 496634805 /nfs/dbraw/zinc/63/48/05/496634805.db2.gz RJSWWRLNLQFGJW-BEFAXECRSA-N 2 1 359.901 3.410 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCOc2ccc(F)cc2)CC1 ZINC000153963389 496637343 /nfs/dbraw/zinc/63/73/43/496637343.db2.gz QKBSBCBDYFZWKE-RTBURBONSA-N 2 1 363.521 3.085 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000173416637 496684214 /nfs/dbraw/zinc/68/42/14/496684214.db2.gz BTWJFCHXTIWBPA-BBWFWOEESA-N 2 1 364.559 3.009 20 0 FGADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000185158919 496685570 /nfs/dbraw/zinc/68/55/70/496685570.db2.gz UVAVUKCCUSYQTL-UHFFFAOYSA-N 2 1 366.575 3.114 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000168095591 496707305 /nfs/dbraw/zinc/70/73/05/496707305.db2.gz YFLDPEVMVCKBGB-GUXCAODWSA-N 2 1 352.482 3.467 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000168999772 496713879 /nfs/dbraw/zinc/71/38/79/496713879.db2.gz VNDUNEIJUMIXQZ-YYWHXJBOSA-N 2 1 351.494 3.103 20 0 FGADMP [NH3+]CCCCCCC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000168949512 496714154 /nfs/dbraw/zinc/71/41/54/496714154.db2.gz SEQJQBMJRRXYGP-KRWDZBQOSA-N 2 1 371.447 3.305 20 0 FGADMP CC(=O)Nc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000182267818 496723756 /nfs/dbraw/zinc/72/37/56/496723756.db2.gz WDEJDLNZLODMRA-AOMKIAJQSA-N 2 1 367.493 3.062 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000273243884 496751071 /nfs/dbraw/zinc/75/10/71/496751071.db2.gz HXSBJDDEEBJTPT-SJORKVTESA-N 2 1 359.514 3.266 20 0 FGADMP CCOc1ccc(NC(=O)C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000273243884 496751079 /nfs/dbraw/zinc/75/10/79/496751079.db2.gz HXSBJDDEEBJTPT-SJORKVTESA-N 2 1 359.514 3.266 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000247077725 496771943 /nfs/dbraw/zinc/77/19/43/496771943.db2.gz VNZZWXQCRYHKES-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)Cc2ccccc2)C1 ZINC000247077725 496771946 /nfs/dbraw/zinc/77/19/46/496771946.db2.gz VNZZWXQCRYHKES-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC000247077725 496771948 /nfs/dbraw/zinc/77/19/48/496771948.db2.gz VNZZWXQCRYHKES-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000247077725 496771952 /nfs/dbraw/zinc/77/19/52/496771952.db2.gz VNZZWXQCRYHKES-TZIWHRDSSA-N 2 1 357.542 3.231 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCN(CC(F)(F)F)C1 ZINC000268748891 496772125 /nfs/dbraw/zinc/77/21/25/496772125.db2.gz BQNNFMYYMBYKAN-BHIYHBOVSA-N 2 1 369.475 3.371 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CC1 ZINC000247077578 496772915 /nfs/dbraw/zinc/77/29/15/496772915.db2.gz XKGPYQXXPHNIQX-MBOZVWFJSA-N 2 1 370.541 3.136 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761642 496777385 /nfs/dbraw/zinc/77/73/85/496777385.db2.gz OEQFXZBODTVUJE-NQSCKRDGSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cc1 ZINC000268761642 496777389 /nfs/dbraw/zinc/77/73/89/496777389.db2.gz OEQFXZBODTVUJE-NQSCKRDGSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769713 496780451 /nfs/dbraw/zinc/78/04/51/496780451.db2.gz DNKZCIRMQAZSBA-SLYNCCJLSA-N 2 1 354.494 3.371 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268769713 496780457 /nfs/dbraw/zinc/78/04/57/496780457.db2.gz DNKZCIRMQAZSBA-SLYNCCJLSA-N 2 1 354.494 3.371 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000191504745 496787551 /nfs/dbraw/zinc/78/75/51/496787551.db2.gz GCMUYLOWUNGDNN-INIZCTEOSA-N 2 1 360.477 3.002 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NCc1ccc(F)cc1 ZINC000191504745 496787557 /nfs/dbraw/zinc/78/75/57/496787557.db2.gz GCMUYLOWUNGDNN-INIZCTEOSA-N 2 1 360.477 3.002 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000247138582 496790050 /nfs/dbraw/zinc/79/00/50/496790050.db2.gz VZAHGOJWMDENEM-LPHOPBHVSA-N 2 1 354.922 3.445 20 0 FGADMP Cc1ncc([C@@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c(C)n1 ZINC000268804436 496790829 /nfs/dbraw/zinc/79/08/29/496790829.db2.gz CELCFVGIMWTQLZ-JKSUJKDBSA-N 2 1 354.498 3.165 20 0 FGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccc(OC)c(OC)c1 ZINC000268842384 496800013 /nfs/dbraw/zinc/80/00/13/496800013.db2.gz UOFDBJYDCAFVCL-LJQANCHMSA-N 2 1 363.546 3.162 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247192543 496801746 /nfs/dbraw/zinc/80/17/46/496801746.db2.gz VTGZSGKJIBKXQT-HZPDHXFCSA-N 2 1 370.534 3.392 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+]2CCCC2)CCOCC1 ZINC000268872343 496810135 /nfs/dbraw/zinc/81/01/35/496810135.db2.gz KSNYIKBDHIEFSL-UNMCSNQZSA-N 2 1 371.569 3.132 20 0 FGADMP Cc1ccc([C@@H](NC(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)c2cccs2)cc1 ZINC000578123134 505867944 /nfs/dbraw/zinc/86/79/44/505867944.db2.gz QRJFCIUVDDKKFI-AZUAARDMSA-N 2 1 371.550 3.240 20 0 FGADMP COC[C@H]([NH2+]C/C=C/C[NH2+][C@@H](COC)c1ccc(C)o1)c1ccc(C)o1 ZINC000273558285 496839084 /nfs/dbraw/zinc/83/90/84/496839084.db2.gz ZALVXONKUXQRIG-ZBKUBXTQSA-N 2 1 362.470 3.300 20 0 FGADMP C[C@H](NC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000247352136 496843365 /nfs/dbraw/zinc/84/33/65/496843365.db2.gz GTTXMBQHSAQHCS-MAUKXSAKSA-N 2 1 351.922 3.323 20 0 FGADMP C[NH+](C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)c1ccccc1 ZINC000195289014 496877484 /nfs/dbraw/zinc/87/74/84/496877484.db2.gz UASQXTNPBHDEAD-NRFANRHFSA-N 2 1 351.494 3.202 20 0 FGADMP C[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](C)CC2)cc1)[C@H]([NH3+])c1ccccc1 ZINC000269309332 496916321 /nfs/dbraw/zinc/91/63/21/496916321.db2.gz VPHVIFUWSDJPDI-UWJYYQICSA-N 2 1 366.509 3.103 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC(F)(F)F ZINC000247952612 496932682 /nfs/dbraw/zinc/93/26/82/496932682.db2.gz FDTIPNDLBLZBJC-GJZGRUSLSA-N 2 1 360.420 3.473 20 0 FGADMP c1cc(OC2CCCCC2)ncc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000569211907 505879119 /nfs/dbraw/zinc/87/91/19/505879119.db2.gz UEMAYPGHJXDBDX-SLFFLAALSA-N 2 1 359.514 3.040 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCOc3ccccc32)C1 ZINC000248434006 497010486 /nfs/dbraw/zinc/01/04/86/497010486.db2.gz DPMCZOXKCSPJJB-CTNGQTDRSA-N 2 1 352.478 3.257 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3cc(F)ccc32)C1 ZINC000248433638 497010679 /nfs/dbraw/zinc/01/06/79/497010679.db2.gz DIUJRIKQWGBJKM-TZIWHRDSSA-N 2 1 370.468 3.396 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(F)(F)F)C1 ZINC000569213745 505880323 /nfs/dbraw/zinc/88/03/23/505880323.db2.gz AYOXUFVFSYGOEH-CVEARBPZSA-N 2 1 374.447 3.013 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185200 497035674 /nfs/dbraw/zinc/03/56/74/497035674.db2.gz DVFZZOMPPPFECP-CRAIPNDOSA-N 2 1 357.523 3.060 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000274185200 497035676 /nfs/dbraw/zinc/03/56/76/497035676.db2.gz DVFZZOMPPPFECP-CRAIPNDOSA-N 2 1 357.523 3.060 20 0 FGADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)ccc2Cl)CC1 ZINC000226431571 497082706 /nfs/dbraw/zinc/08/27/06/497082706.db2.gz KXBMTOHRGYEQBC-UHFFFAOYSA-N 2 1 361.711 3.432 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncc(C(C)C)s1 ZINC000192393745 497100321 /nfs/dbraw/zinc/10/03/21/497100321.db2.gz ZFQFXDFJUXMACV-OAHLLOKOSA-N 2 1 367.563 3.146 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000236641649 497125068 /nfs/dbraw/zinc/12/50/68/497125068.db2.gz XXSXHUPHNOSGPB-UHFFFAOYSA-N 2 1 351.922 3.139 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000236641649 497125074 /nfs/dbraw/zinc/12/50/74/497125074.db2.gz XXSXHUPHNOSGPB-UHFFFAOYSA-N 2 1 351.922 3.139 20 0 FGADMP C[C@H]1C[C@@H](NCCC[NH+]2CCCO[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278472181 497126636 /nfs/dbraw/zinc/12/66/36/497126636.db2.gz JURMOCJZIAWDDK-VWPQPMDRSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@H]1C[C@@H](NCCC[N@@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278472181 497126643 /nfs/dbraw/zinc/12/66/43/497126643.db2.gz JURMOCJZIAWDDK-VWPQPMDRSA-N 2 1 359.558 3.130 20 0 FGADMP C[C@H]1C[C@@H](NCCC[N@H+]2CCCO[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000278472181 497126650 /nfs/dbraw/zinc/12/66/50/497126650.db2.gz JURMOCJZIAWDDK-VWPQPMDRSA-N 2 1 359.558 3.130 20 0 FGADMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@H+](C)C(C)C)cc12 ZINC000236661499 497128333 /nfs/dbraw/zinc/12/83/33/497128333.db2.gz MZRJYIJFLOFZLR-UHFFFAOYSA-N 2 1 351.498 3.407 20 0 FGADMP CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000236682055 497131970 /nfs/dbraw/zinc/13/19/70/497131970.db2.gz IVPUEAIWXOAGDM-PGRDOPGGSA-N 2 1 371.569 3.211 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000274632910 497134437 /nfs/dbraw/zinc/13/44/37/497134437.db2.gz OEEDZZQHXHFQKU-QGZVFWFLSA-N 2 1 357.542 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1 ZINC000274786509 497165234 /nfs/dbraw/zinc/16/52/34/497165234.db2.gz AYNSXZVIMHZJKB-QFUCXCTJSA-N 2 1 374.550 3.126 20 0 FGADMP C[N@@H+](CCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)C1CCCCC1 ZINC000237065749 497186462 /nfs/dbraw/zinc/18/64/62/497186462.db2.gz WDRVUUNMEANDQL-UHFFFAOYSA-N 2 1 357.542 3.079 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000237192426 497203242 /nfs/dbraw/zinc/20/32/42/497203242.db2.gz DRTLDVNCKVIPNS-QFIPXVFZSA-N 2 1 365.521 3.100 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000237349116 497224495 /nfs/dbraw/zinc/22/44/95/497224495.db2.gz URXZFZLCYLCEEJ-QGZVFWFLSA-N 2 1 351.494 3.450 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000578228048 505892756 /nfs/dbraw/zinc/89/27/56/505892756.db2.gz GISBANHJXOPRQW-BHDDXSALSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)cc1 ZINC000578228048 505892757 /nfs/dbraw/zinc/89/27/57/505892757.db2.gz GISBANHJXOPRQW-BHDDXSALSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000578228048 505892758 /nfs/dbraw/zinc/89/27/58/505892758.db2.gz GISBANHJXOPRQW-BHDDXSALSA-N 2 1 359.558 3.370 20 0 FGADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000578228048 505892759 /nfs/dbraw/zinc/89/27/59/505892759.db2.gz GISBANHJXOPRQW-BHDDXSALSA-N 2 1 359.558 3.370 20 0 FGADMP C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC[NH2+]CC1 ZINC000237462117 497240867 /nfs/dbraw/zinc/24/08/67/497240867.db2.gz RVTPSSBTLGXKGN-IRXDYDNUSA-N 2 1 363.571 3.102 20 0 FGADMP CCC[N@H+]1CC[C@H](CNC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)C1 ZINC000249749058 497241929 /nfs/dbraw/zinc/24/19/29/497241929.db2.gz PNCKPWKXPNRVMJ-SJLPKXTDSA-N 2 1 366.575 3.162 20 0 FGADMP C[C@H](CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC[NH2+]CC1 ZINC000237503820 497247501 /nfs/dbraw/zinc/24/75/01/497247501.db2.gz XPBXUUQBPPNRIB-XQBPLPMBSA-N 2 1 371.569 3.381 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000237578336 497258517 /nfs/dbraw/zinc/25/85/17/497258517.db2.gz PNHLBPYLDCTGST-XOBRGWDASA-N 2 1 366.440 3.272 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(OCc2nccn2C)cc1 ZINC000278968360 497285846 /nfs/dbraw/zinc/28/58/46/497285846.db2.gz NEXMFLYDUMINPA-IRXDYDNUSA-N 2 1 365.481 3.109 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000266309794 497301587 /nfs/dbraw/zinc/30/15/87/497301587.db2.gz NWVMZJAPUPOZCU-HXUWFJFHSA-N 2 1 357.542 3.476 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000279011256 497302414 /nfs/dbraw/zinc/30/24/14/497302414.db2.gz SXIMAJHVAPSHPR-LSDHHAIUSA-N 2 1 353.470 3.080 20 0 FGADMP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000193125380 497308484 /nfs/dbraw/zinc/30/84/84/497308484.db2.gz KIOQOGWXJLTROY-PXNSSMCTSA-N 2 1 373.541 3.262 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000578264461 505899889 /nfs/dbraw/zinc/89/98/89/505899889.db2.gz WPDMZELWEJISBJ-IYBDPMFKSA-N 2 1 352.544 3.147 20 0 FGADMP Cc1ccc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000578264461 505899890 /nfs/dbraw/zinc/89/98/90/505899890.db2.gz WPDMZELWEJISBJ-IYBDPMFKSA-N 2 1 352.544 3.147 20 0 FGADMP C[C@H](C(=O)N(C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253547379 497338862 /nfs/dbraw/zinc/33/88/62/497338862.db2.gz UMWASCCGQSOVJE-HDAAZOAOSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@H](C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253547379 497338864 /nfs/dbraw/zinc/33/88/64/497338864.db2.gz UMWASCCGQSOVJE-HDAAZOAOSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253547379 497338867 /nfs/dbraw/zinc/33/88/67/497338867.db2.gz UMWASCCGQSOVJE-HDAAZOAOSA-N 2 1 357.542 3.228 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000193290278 497341416 /nfs/dbraw/zinc/34/14/16/497341416.db2.gz BUZYTDPPPKNXFQ-GOSISDBHSA-N 2 1 351.494 3.048 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000279124678 497341774 /nfs/dbraw/zinc/34/17/74/497341774.db2.gz QLGDNHWXIRTHCC-OXJNMPFZSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000279124678 497341779 /nfs/dbraw/zinc/34/17/79/497341779.db2.gz QLGDNHWXIRTHCC-OXJNMPFZSA-N 2 1 352.482 3.183 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000279124678 497341783 /nfs/dbraw/zinc/34/17/83/497341783.db2.gz QLGDNHWXIRTHCC-OXJNMPFZSA-N 2 1 352.482 3.183 20 0 FGADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000275513124 497349341 /nfs/dbraw/zinc/34/93/41/497349341.db2.gz KNHDNWQCQXIVIC-GJZGRUSLSA-N 2 1 360.889 3.414 20 0 FGADMP CC1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)CC1 ZINC000275607890 497380053 /nfs/dbraw/zinc/38/00/53/497380053.db2.gz FUZYLNJWLNMMBN-VQTJNVASSA-N 2 1 355.526 3.032 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000275606589 497380387 /nfs/dbraw/zinc/38/03/87/497380387.db2.gz HNUZDQMLJSGZGN-GOSISDBHSA-N 2 1 360.546 3.424 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)CC[N@H+]1C ZINC000245419262 497395574 /nfs/dbraw/zinc/39/55/74/497395574.db2.gz LNOSDIMEONXBTI-NSISKUIASA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000245419262 497395579 /nfs/dbraw/zinc/39/55/79/497395579.db2.gz LNOSDIMEONXBTI-NSISKUIASA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000245419262 497395588 /nfs/dbraw/zinc/39/55/88/497395588.db2.gz LNOSDIMEONXBTI-NSISKUIASA-N 2 1 361.505 3.121 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC[NH+]1C ZINC000245419262 497395592 /nfs/dbraw/zinc/39/55/92/497395592.db2.gz LNOSDIMEONXBTI-NSISKUIASA-N 2 1 361.505 3.121 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)CN(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245426864 497399378 /nfs/dbraw/zinc/39/93/78/497399378.db2.gz LQKVLJAIWBWACX-TZIWHRDSSA-N 2 1 359.558 3.396 20 0 FGADMP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1)c1nccn1C ZINC000271696353 497421252 /nfs/dbraw/zinc/42/12/52/497421252.db2.gz LMJHCVYSHZJBPR-SFHVURJKSA-N 2 1 374.529 3.390 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000245552679 497452292 /nfs/dbraw/zinc/45/22/92/497452292.db2.gz QPGYQYWBZVVJEK-OOKSDGMUSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@]1(C[NH3+])CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000261828894 497457681 /nfs/dbraw/zinc/45/76/81/497457681.db2.gz YQJRGNOOFMODSS-NRFANRHFSA-N 2 1 353.466 3.478 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000261875378 497466028 /nfs/dbraw/zinc/46/60/28/497466028.db2.gz RECLXSDEBAKSDZ-GOSISDBHSA-N 2 1 357.542 3.457 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000262018524 497493382 /nfs/dbraw/zinc/49/33/82/497493382.db2.gz WWVIXERIDOTSRY-UHFFFAOYSA-N 2 1 372.538 3.146 20 0 FGADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000581105213 505910333 /nfs/dbraw/zinc/91/03/33/505910333.db2.gz PRENYXAHFOVMCX-OALUTQOASA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000581105213 505910336 /nfs/dbraw/zinc/91/03/36/505910336.db2.gz PRENYXAHFOVMCX-OALUTQOASA-N 2 1 360.546 3.021 20 0 FGADMP CC(C)[NH+](C)C[C@H](C)NC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000581105213 505910338 /nfs/dbraw/zinc/91/03/38/505910338.db2.gz PRENYXAHFOVMCX-OALUTQOASA-N 2 1 360.546 3.021 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245680736 497499400 /nfs/dbraw/zinc/49/94/00/497499400.db2.gz IUFROUYUABRAKG-LRSLUSHPSA-N 3 1 359.558 3.128 20 0 FGADMP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245680736 497499404 /nfs/dbraw/zinc/49/94/04/497499404.db2.gz IUFROUYUABRAKG-LRSLUSHPSA-N 2 1 359.558 3.128 20 0 FGADMP O=C(N[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1)c1ccc2ccccc2c1 ZINC000262118013 497510367 /nfs/dbraw/zinc/51/03/67/497510367.db2.gz BTCPLRFJZQDDPV-OAQYLSRUSA-N 2 1 351.494 3.034 20 0 FGADMP O=C(CC[N@@H+]1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)N1CC[NH2+]CC1 ZINC000262115235 497510940 /nfs/dbraw/zinc/51/09/40/497510940.db2.gz MXKFCKMILGOSMJ-KRWDZBQOSA-N 2 1 369.431 3.054 20 0 FGADMP CN(C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000262177500 497520118 /nfs/dbraw/zinc/52/01/18/497520118.db2.gz BGBXUTXPCMTGPR-BJOMATTFSA-N 2 1 369.553 3.263 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000267313319 497523592 /nfs/dbraw/zinc/52/35/92/497523592.db2.gz CJTJLPGKZAUEFL-QCFAMHMHSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000267313319 497523597 /nfs/dbraw/zinc/52/35/97/497523597.db2.gz CJTJLPGKZAUEFL-QCFAMHMHSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000267313319 497523601 /nfs/dbraw/zinc/52/36/01/497523601.db2.gz CJTJLPGKZAUEFL-QCFAMHMHSA-N 2 1 372.557 3.021 20 0 FGADMP COc1ccnc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1OC ZINC000190613068 497545168 /nfs/dbraw/zinc/54/51/68/497545168.db2.gz SHNHCDQCOXXUBY-SFHVURJKSA-N 2 1 355.482 3.053 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262394110 497549728 /nfs/dbraw/zinc/54/97/28/497549728.db2.gz ZCJKYPOTVTUFPH-FECVVGHTSA-N 2 1 355.526 3.092 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000279860029 497567622 /nfs/dbraw/zinc/56/76/22/497567622.db2.gz SMWJTAVAQBOAOX-KAOXLYBCSA-N 2 1 369.553 3.135 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)C12CCC2 ZINC000245926750 497573761 /nfs/dbraw/zinc/57/37/61/497573761.db2.gz RRDSNIQPDROFQF-DZFGPLHGSA-N 2 1 358.526 3.345 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)C12CCC2 ZINC000245926750 497573764 /nfs/dbraw/zinc/57/37/64/497573764.db2.gz RRDSNIQPDROFQF-DZFGPLHGSA-N 2 1 358.526 3.345 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)c2)CCO1 ZINC000245933577 497577008 /nfs/dbraw/zinc/57/70/08/497577008.db2.gz SVNTYSBTRJVTHF-QYRPDUKASA-N 2 1 358.526 3.201 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3[C@H]4CCCO[C@H]4C3(C)C)c2)CCO1 ZINC000245933577 497577013 /nfs/dbraw/zinc/57/70/13/497577013.db2.gz SVNTYSBTRJVTHF-QYRPDUKASA-N 2 1 358.526 3.201 20 0 FGADMP Cc1ccc(N2CCC(C(=O)NCCCC[NH+]3CCC(C)CC3)CC2)[nH+]c1 ZINC000194162828 497590267 /nfs/dbraw/zinc/59/02/67/497590267.db2.gz QNWQKYITQPWIFH-UHFFFAOYSA-N 2 1 372.557 3.235 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000246050431 497605141 /nfs/dbraw/zinc/60/51/41/497605141.db2.gz PZCQKJDRLFOELN-TZIWHRDSSA-N 2 1 360.542 3.403 20 0 FGADMP C[C@@H](NC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1)C(C)(C)C[NH+](C)C ZINC000246123919 497630091 /nfs/dbraw/zinc/63/00/91/497630091.db2.gz AIWXBHIFGAKDPI-RTBURBONSA-N 2 1 374.573 3.269 20 0 FGADMP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246144248 497637478 /nfs/dbraw/zinc/63/74/78/497637478.db2.gz CCRDKECQMCLKQR-QWFCFKBJSA-N 2 1 374.573 3.315 20 0 FGADMP COc1cc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)ccc1C ZINC000194413498 497658613 /nfs/dbraw/zinc/65/86/13/497658613.db2.gz DFIYUSFICFEIFI-OAQYLSRUSA-N 2 1 354.494 3.250 20 0 FGADMP C[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)c1ccccc1 ZINC000194434085 497665860 /nfs/dbraw/zinc/66/58/60/497665860.db2.gz HHVUCOPQBXTEEM-GCJKJVERSA-N 2 1 365.521 3.277 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000246269182 497679218 /nfs/dbraw/zinc/67/92/18/497679218.db2.gz AIWLPQMSEYHIHU-MOPGFXCFSA-N 2 1 374.573 3.393 20 0 FGADMP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000263028832 497685108 /nfs/dbraw/zinc/68/51/08/497685108.db2.gz RQAWLWHKETUSTM-RTFFYQOYSA-N 2 1 355.526 3.206 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)[NH+](C)C)cc1 ZINC000246315052 497694185 /nfs/dbraw/zinc/69/41/85/497694185.db2.gz BOJUBRVKZALGFH-UIFIKXQLSA-N 2 1 374.573 3.223 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000268188630 497697049 /nfs/dbraw/zinc/69/70/49/497697049.db2.gz XFKJZIHMLKTMOQ-SFHVURJKSA-N 2 1 357.523 3.204 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000268188630 497697054 /nfs/dbraw/zinc/69/70/54/497697054.db2.gz XFKJZIHMLKTMOQ-SFHVURJKSA-N 2 1 357.523 3.204 20 0 FGADMP C[C@]1(O)CCC[NH+](Cc2ccccc2C[N@@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000280257141 497698131 /nfs/dbraw/zinc/69/81/31/497698131.db2.gz XLNAJYIDNMWRSG-VXKWHMMOSA-N 2 1 360.542 3.160 20 0 FGADMP Brc1cccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c1 ZINC000268195609 497698526 /nfs/dbraw/zinc/69/85/26/497698526.db2.gz YDMNMPRTMYPQIP-INIZCTEOSA-N 2 1 364.331 3.244 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000246350396 497705433 /nfs/dbraw/zinc/70/54/33/497705433.db2.gz MLXTTWLSSZSKBS-QZTJIDSGSA-N 2 1 354.583 3.020 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCCC1 ZINC000246422205 497729426 /nfs/dbraw/zinc/72/94/26/497729426.db2.gz SPJOMVMBQOTPEC-UHOSZYNNSA-N 2 1 352.567 3.011 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)[NH+]1CCCC1 ZINC000246451418 497739041 /nfs/dbraw/zinc/73/90/41/497739041.db2.gz OIFQGLDCBZDVBZ-RLLQIKCJSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194750741 497759658 /nfs/dbraw/zinc/75/96/58/497759658.db2.gz URCDHHZUKIOWMI-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000246531205 497765377 /nfs/dbraw/zinc/76/53/77/497765377.db2.gz VTMDOUDKKPQIHG-SESVDKBCSA-N 2 1 374.573 3.441 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564052 497775507 /nfs/dbraw/zinc/77/55/07/497775507.db2.gz YCVQAFIPGHDENG-ZSXPUABSSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564052 497775509 /nfs/dbraw/zinc/77/55/09/497775509.db2.gz YCVQAFIPGHDENG-ZSXPUABSSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246564052 497775514 /nfs/dbraw/zinc/77/55/14/497775514.db2.gz YCVQAFIPGHDENG-ZSXPUABSSA-N 2 1 372.557 3.021 20 0 FGADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(C(C)(C)C)cc1 ZINC000581186293 505929597 /nfs/dbraw/zinc/92/95/97/505929597.db2.gz PMZJHEUZLPGTBG-QFBILLFUSA-N 2 1 359.514 3.155 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)c2coc(C[NH3+])c2)[C@H]1c1cccc(Cl)c1 ZINC000364218685 497845605 /nfs/dbraw/zinc/84/56/05/497845605.db2.gz XBJYPFVKQAUTKS-KBXCAEBGSA-N 2 1 361.873 3.205 20 0 FGADMP COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000578441800 505940664 /nfs/dbraw/zinc/94/06/64/505940664.db2.gz BSADHCLRHPUKRS-QUCCMNQESA-N 2 1 373.541 3.246 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCc1cccnc1 ZINC000569485049 505945594 /nfs/dbraw/zinc/94/55/94/505945594.db2.gz FLHXSVRTKAJCMG-BGYRXZFFSA-N 2 1 367.493 3.101 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000572350341 505947528 /nfs/dbraw/zinc/94/75/28/505947528.db2.gz DKNMXYFJIZZMBO-FPOVZHCZSA-N 2 1 352.526 3.484 20 0 FGADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000572350341 505947531 /nfs/dbraw/zinc/94/75/31/505947531.db2.gz DKNMXYFJIZZMBO-FPOVZHCZSA-N 2 1 352.526 3.484 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3nc(Cl)ccc32)CC1 ZINC000296204771 497954800 /nfs/dbraw/zinc/95/48/00/497954800.db2.gz ZCPTWUIOOUAFGV-QGZVFWFLSA-N 2 1 350.938 3.120 20 0 FGADMP COc1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1OC ZINC000581313414 505958368 /nfs/dbraw/zinc/95/83/68/505958368.db2.gz DSRMYBJPEMJQOE-GASCZTMLSA-N 2 1 373.522 3.259 20 0 FGADMP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000581320021 505960353 /nfs/dbraw/zinc/96/03/53/505960353.db2.gz QWJAXFYJIWFYHC-PXNSSMCTSA-N 2 1 357.542 3.174 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(Br)c1 ZINC000578523922 505960780 /nfs/dbraw/zinc/96/07/80/505960780.db2.gz VLQYBRRDMKKGOC-ZNMIVQPWSA-N 2 1 370.335 3.384 20 0 FGADMP C[N@H+]1CCN(CCC[NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000296398023 498027692 /nfs/dbraw/zinc/02/76/92/498027692.db2.gz LKGXTGHLQZBPSR-RTWAWAEBSA-N 2 1 357.542 3.057 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000581364226 505971950 /nfs/dbraw/zinc/97/19/50/505971950.db2.gz LFJRCOWHXKERLD-CBJMIOPYSA-N 2 1 359.558 3.006 20 0 FGADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCc1ccccc1 ZINC000581369470 505973027 /nfs/dbraw/zinc/97/30/27/505973027.db2.gz BZOLSQOJTJRVIE-UXHICEINSA-N 2 1 352.478 3.316 20 0 FGADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCc1ccccc1 ZINC000581369470 505973030 /nfs/dbraw/zinc/97/30/30/505973030.db2.gz BZOLSQOJTJRVIE-UXHICEINSA-N 2 1 352.478 3.316 20 0 FGADMP COCCOCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000289262380 498082564 /nfs/dbraw/zinc/08/25/64/498082564.db2.gz MUPIFWMUHCXNFB-RBBKRZOGSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000289262380 498082570 /nfs/dbraw/zinc/08/25/70/498082570.db2.gz MUPIFWMUHCXNFB-RBBKRZOGSA-N 2 1 358.526 3.298 20 0 FGADMP COCCOCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000289262380 498082575 /nfs/dbraw/zinc/08/25/75/498082575.db2.gz MUPIFWMUHCXNFB-RBBKRZOGSA-N 2 1 358.526 3.298 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3C(F)(F)F)C2)C1 ZINC000292905372 498191973 /nfs/dbraw/zinc/19/19/73/498191973.db2.gz GWJNDSKWIUKEKH-GOSISDBHSA-N 2 1 369.431 3.452 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)Nc1ccc(CC[NH+]3CCCCC3)cc1)C2 ZINC000289589128 498207312 /nfs/dbraw/zinc/20/73/12/498207312.db2.gz MYLLFYGXQCRTAI-LJQANCHMSA-N 2 1 366.509 3.421 20 0 FGADMP Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738022 498245689 /nfs/dbraw/zinc/24/56/89/498245689.db2.gz CHUHWWILCYLUEL-PXAZEXFGSA-N 2 1 351.397 3.276 20 0 FGADMP Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301738022 498245692 /nfs/dbraw/zinc/24/56/92/498245692.db2.gz CHUHWWILCYLUEL-PXAZEXFGSA-N 2 1 351.397 3.276 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360717841 498301535 /nfs/dbraw/zinc/30/15/35/498301535.db2.gz XHSQFHQCFREVGO-HBMYEMETSA-N 2 1 355.448 3.312 20 0 FGADMP CCN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000360717841 498301537 /nfs/dbraw/zinc/30/15/37/498301537.db2.gz XHSQFHQCFREVGO-HBMYEMETSA-N 2 1 355.448 3.312 20 0 FGADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000572613889 506012532 /nfs/dbraw/zinc/01/25/32/506012532.db2.gz PSZIESFALBINEF-INIZCTEOSA-N 2 1 373.476 3.026 20 0 FGADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000572613889 506012534 /nfs/dbraw/zinc/01/25/34/506012534.db2.gz PSZIESFALBINEF-INIZCTEOSA-N 2 1 373.476 3.026 20 0 FGADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000572613889 506012537 /nfs/dbraw/zinc/01/25/37/506012537.db2.gz PSZIESFALBINEF-INIZCTEOSA-N 2 1 373.476 3.026 20 0 FGADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1csc(C(C)(C)C)n1 ZINC000360813108 498313938 /nfs/dbraw/zinc/31/39/38/498313938.db2.gz WCMQLUYIZOMXLH-KBAYOESNSA-N 2 1 365.587 3.462 20 0 FGADMP Cc1cc([C@@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)ccc1Br ZINC000575840398 506014571 /nfs/dbraw/zinc/01/45/71/506014571.db2.gz REJSHFPJZMSKLO-AEFFLSMTSA-N 2 1 367.331 3.350 20 0 FGADMP O=C(CN1CCCCCC1)Nc1ccc(N[C@@H]2CCn3ccnc32)cc1 ZINC000297137630 498329834 /nfs/dbraw/zinc/32/98/34/498329834.db2.gz ZIGIQLNVUULPJO-GOSISDBHSA-N 2 1 353.470 3.255 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)cc1 ZINC000365190628 498342946 /nfs/dbraw/zinc/34/29/46/498342946.db2.gz IAKFSAGAZZUHJZ-PKOBYXMFSA-N 2 1 360.889 3.187 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000572657555 506022454 /nfs/dbraw/zinc/02/24/54/506022454.db2.gz MMFFFPJHCXABIX-SFHVURJKSA-N 2 1 357.542 3.305 20 0 FGADMP O=C1O[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC12CCC2 ZINC000365278948 498385107 /nfs/dbraw/zinc/38/51/07/498385107.db2.gz XGFZHDNWOMXGPE-HXUWFJFHSA-N 2 1 368.521 3.460 20 0 FGADMP CCCn1c(C)nnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293469665 498395363 /nfs/dbraw/zinc/39/53/63/498395363.db2.gz XIMCGDIXSWHGNG-UHFFFAOYSA-N 2 1 367.541 3.485 20 0 FGADMP CCCn1c(C)nnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293469665 498395366 /nfs/dbraw/zinc/39/53/66/498395366.db2.gz XIMCGDIXSWHGNG-UHFFFAOYSA-N 2 1 367.541 3.485 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(O)c1Cl ZINC000293473854 498396374 /nfs/dbraw/zinc/39/63/74/498396374.db2.gz FDDDTQBXEKXADY-ZWKOTPCHSA-N 2 1 360.885 3.018 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCc1cccc(O)c1Cl ZINC000293473843 498396995 /nfs/dbraw/zinc/39/69/95/498396995.db2.gz FDDDTQBXEKXADY-QZTJIDSGSA-N 2 1 360.885 3.018 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538349 498408061 /nfs/dbraw/zinc/40/80/61/498408061.db2.gz FSAZWTRTVVNBBE-VQIMIIECSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538349 498408067 /nfs/dbraw/zinc/40/80/67/498408067.db2.gz FSAZWTRTVVNBBE-VQIMIIECSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC2CC[NH+](C3CC3)CC2)C1=O ZINC000297363964 498421127 /nfs/dbraw/zinc/42/11/27/498421127.db2.gz HAOTYFHRMVGJLG-QRWLVFNGSA-N 2 1 359.489 3.094 20 0 FGADMP COc1cccc(OC)c1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000286584638 498444269 /nfs/dbraw/zinc/44/42/69/498444269.db2.gz QKBNACLIPYGHCP-MRXNPFEDSA-N 2 1 355.482 3.414 20 0 FGADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cc1N(C)C ZINC000290167742 498450100 /nfs/dbraw/zinc/45/01/00/498450100.db2.gz DOUOTYUVPOQSCB-MRXNPFEDSA-N 2 1 374.504 3.468 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CCCO1 ZINC000293793194 498491112 /nfs/dbraw/zinc/49/11/12/498491112.db2.gz UNGPLUMHQOZCCR-LQWHRVPQSA-N 2 1 364.505 3.384 20 0 FGADMP CC[N@@H+](Cc1cnn(C)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365506213 498503914 /nfs/dbraw/zinc/50/39/14/498503914.db2.gz GJGSAXDAVDRDIF-UHFFFAOYSA-N 2 1 356.518 3.133 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3-n3cncn3)C2)CC1 ZINC000290328757 498510539 /nfs/dbraw/zinc/51/05/39/498510539.db2.gz DNHHPTRXOJOTFU-MRXNPFEDSA-N 2 1 359.905 3.084 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335511 498513546 /nfs/dbraw/zinc/51/35/46/498513546.db2.gz FBDZYOMZGGRSLI-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335511 498513549 /nfs/dbraw/zinc/51/35/49/498513549.db2.gz FBDZYOMZGGRSLI-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335511 498513552 /nfs/dbraw/zinc/51/35/52/498513552.db2.gz FBDZYOMZGGRSLI-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OCc1cccnc1 ZINC000290335511 498513556 /nfs/dbraw/zinc/51/35/56/498513556.db2.gz FBDZYOMZGGRSLI-PXNSSMCTSA-N 2 1 369.509 3.441 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000290433219 498550487 /nfs/dbraw/zinc/55/04/87/498550487.db2.gz VFRXEKKSYGBZRD-GGQGVQAJSA-N 2 1 364.489 3.266 20 0 FGADMP O[C@@H]1c2ccccc2OC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000290433219 498550493 /nfs/dbraw/zinc/55/04/93/498550493.db2.gz VFRXEKKSYGBZRD-GGQGVQAJSA-N 2 1 364.489 3.266 20 0 FGADMP Cc1cn2cc(NC(=O)N(C)CCC[N@@H+](C)Cc3ccco3)ccc2n1 ZINC000286926826 498555479 /nfs/dbraw/zinc/55/54/79/498555479.db2.gz HVALQAAEBPJGHP-UHFFFAOYSA-N 2 1 355.442 3.222 20 0 FGADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000362943236 498584612 /nfs/dbraw/zinc/58/46/12/498584612.db2.gz STTLIMAMDAQGOX-QFIPXVFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000362943236 498584617 /nfs/dbraw/zinc/58/46/17/498584617.db2.gz STTLIMAMDAQGOX-QFIPXVFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000362943230 498584953 /nfs/dbraw/zinc/58/49/53/498584953.db2.gz STTLIMAMDAQGOX-JOCHJYFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3ccc4ccccc4c3)CC2)C1 ZINC000362943230 498584958 /nfs/dbraw/zinc/58/49/58/498584958.db2.gz STTLIMAMDAQGOX-JOCHJYFZSA-N 2 1 367.537 3.321 20 0 FGADMP C[N@@H+]1CC[C@@H](Nc2cc(NCC3CC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000302816760 498586373 /nfs/dbraw/zinc/58/63/73/498586373.db2.gz ILMVOCMWIVBGGQ-VQIMIIECSA-N 2 1 359.424 3.434 20 0 FGADMP C[C@@H]([NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000576032388 506060499 /nfs/dbraw/zinc/06/04/99/506060499.db2.gz JRXRXFJVAAPRGO-GGPKGHCWSA-N 2 1 355.530 3.292 20 0 FGADMP Cc1[nH+]ccn1CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000297899398 498603050 /nfs/dbraw/zinc/60/30/50/498603050.db2.gz SGTBCXIHICRCRH-UHFFFAOYSA-N 2 1 354.498 3.272 20 0 FGADMP Cc1[nH+]ccn1CC(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000297899398 498603059 /nfs/dbraw/zinc/60/30/59/498603059.db2.gz SGTBCXIHICRCRH-UHFFFAOYSA-N 2 1 354.498 3.272 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624501 498623575 /nfs/dbraw/zinc/62/35/75/498623575.db2.gz CLZFBGNFMSFKGZ-TZIWHRDSSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1[nH+]cc2n1CC[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)C2 ZINC000290624501 498623581 /nfs/dbraw/zinc/62/35/81/498623581.db2.gz CLZFBGNFMSFKGZ-TZIWHRDSSA-N 2 1 368.525 3.027 20 0 FGADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000294279671 498642966 /nfs/dbraw/zinc/64/29/66/498642966.db2.gz OURADZFXFYKCRC-UHFFFAOYSA-N 2 1 365.477 3.080 20 0 FGADMP Fc1ccc(C2OCCO2)c(Cl)c1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000365835256 498661585 /nfs/dbraw/zinc/66/15/85/498661585.db2.gz DEBMHHSOPCVZAY-STQMWFEESA-N 2 1 354.853 3.241 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1)[N@@H+](C)C1CC1 ZINC000303297281 498662414 /nfs/dbraw/zinc/66/24/14/498662414.db2.gz YCHXBXODQGFTQK-SFHVURJKSA-N 2 1 372.557 3.345 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@H+]2CC)cc1 ZINC000303434846 498673353 /nfs/dbraw/zinc/67/33/53/498673353.db2.gz DFICZRZCLCIZQF-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000363173943 498686872 /nfs/dbraw/zinc/68/68/72/498686872.db2.gz OPLJVECEUUHXPF-UHFFFAOYSA-N 2 1 351.494 3.096 20 0 FGADMP Cc1ccc(C(=O)N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000365911137 498696007 /nfs/dbraw/zinc/69/60/07/498696007.db2.gz DUDHKCCIRNLJQG-UHFFFAOYSA-N 2 1 357.542 3.263 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)/C=C/c1ccccc1 ZINC000365911408 498696799 /nfs/dbraw/zinc/69/67/99/498696799.db2.gz IUGCNDCSCLNWRX-CMDGGOBGSA-N 2 1 369.553 3.355 20 0 FGADMP COC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(Cl)c1 ZINC000290846540 498699364 /nfs/dbraw/zinc/69/93/64/498699364.db2.gz ZCIOWDSXPVFMMV-SFHVURJKSA-N 2 1 363.889 3.153 20 0 FGADMP COCc1cc(CNCc2ccccc2C[N@@H+](C)Cc2ccco2)no1 ZINC000298299149 498726011 /nfs/dbraw/zinc/72/60/11/498726011.db2.gz HMCKOSVSHBGINC-UHFFFAOYSA-N 2 1 355.438 3.336 20 0 FGADMP COCc1cc(CNCc2ccccc2CN(C)Cc2ccco2)no1 ZINC000298299149 498726017 /nfs/dbraw/zinc/72/60/17/498726017.db2.gz HMCKOSVSHBGINC-UHFFFAOYSA-N 2 1 355.438 3.336 20 0 FGADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000311902119 498755673 /nfs/dbraw/zinc/75/56/73/498755673.db2.gz FYJCGCUVUFWHDX-FPOVZHCZSA-N 2 1 351.494 3.105 20 0 FGADMP O=C(OCc1ccccc1)c1ccc(CN2CCC(c3ncc[nH]3)CC2)[nH]1 ZINC000294676398 498769398 /nfs/dbraw/zinc/76/93/98/498769398.db2.gz CVPQHYLQIZMELR-UHFFFAOYSA-N 2 1 364.449 3.474 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000572944665 506089488 /nfs/dbraw/zinc/08/94/88/506089488.db2.gz WMSNJWWSIXQXLF-YZGWKJHDSA-N 2 1 364.578 3.190 20 0 FGADMP CCn1ccnc1[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000332985118 498858119 /nfs/dbraw/zinc/85/81/19/498858119.db2.gz DJWXMXYHSPARSH-QZTJIDSGSA-N 2 1 361.534 3.118 20 0 FGADMP CCc1ccc([C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCC[N@@H+](C)CC2)cc1 ZINC000366295969 498863236 /nfs/dbraw/zinc/86/32/36/498863236.db2.gz PACSBWUDKANCBH-KRWDZBQOSA-N 2 1 369.557 3.284 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000579182390 506111302 /nfs/dbraw/zinc/11/13/02/506111302.db2.gz WSRVDUOBBHCTGL-ROUUACIJSA-N 2 1 364.534 3.226 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000570202102 506113913 /nfs/dbraw/zinc/11/39/13/506113913.db2.gz SYZOMZIITZRXGW-UHFFFAOYSA-N 2 1 354.376 3.219 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H](C)c1cccc(C)c1C ZINC000363785197 498991047 /nfs/dbraw/zinc/99/10/47/498991047.db2.gz OJTJARHPLXYJHW-GOSISDBHSA-N 2 1 369.557 3.338 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cn4cc(C)ccc4n3)CC2)oc1C ZINC000283821090 498992536 /nfs/dbraw/zinc/99/25/36/498992536.db2.gz FKWCXYZFIUVYFD-UHFFFAOYSA-N 2 1 367.497 3.249 20 0 FGADMP C[C@@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+](C2CC2)C1 ZINC000295413190 499009828 /nfs/dbraw/zinc/00/98/28/499009828.db2.gz SNNJCIHGCZIJLV-IBGZPJMESA-N 2 1 369.553 3.231 20 0 FGADMP CCc1ccc(NC(=O)C2CC[NH+](C3CC[NH+](CC)CC3)CC2)cc1OC ZINC000582071844 506126695 /nfs/dbraw/zinc/12/66/95/506126695.db2.gz FPMGDVOMXBQXBE-UHFFFAOYSA-N 2 1 373.541 3.392 20 0 FGADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc(Cl)c1F ZINC000288438934 499024519 /nfs/dbraw/zinc/02/45/19/499024519.db2.gz CBOXMTGJDVEVTQ-UHFFFAOYSA-N 2 1 351.853 3.494 20 0 FGADMP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000291742315 499054254 /nfs/dbraw/zinc/05/42/54/499054254.db2.gz JEQXLHSNFAAQHP-YJBOKZPZSA-N 2 1 357.523 3.203 20 0 FGADMP C[C@H]1[C@@H](NC(=O)c2sccc2C[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000291742315 499054261 /nfs/dbraw/zinc/05/42/61/499054261.db2.gz JEQXLHSNFAAQHP-YJBOKZPZSA-N 2 1 357.523 3.203 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](CN3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000284196589 499066555 /nfs/dbraw/zinc/06/65/55/499066555.db2.gz SESIWDUNDRESSO-XZOQPEGZSA-N 2 1 371.569 3.228 20 0 FGADMP C[C@H](C[N@@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1)c1nccs1 ZINC000284301902 499085164 /nfs/dbraw/zinc/08/51/64/499085164.db2.gz ZEDMKHPIPJWHOD-MJGOQNOKSA-N 2 1 359.539 3.470 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000364051417 499100846 /nfs/dbraw/zinc/10/08/46/499100846.db2.gz AHCZUUHZWGDVEU-MRXNPFEDSA-N 2 1 369.513 3.225 20 0 FGADMP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccc(F)cc2C1 ZINC000372513651 499136908 /nfs/dbraw/zinc/13/69/08/499136908.db2.gz PKARVGCDJNAOJL-XOBRGWDASA-N 2 1 358.461 3.050 20 0 FGADMP COC(=O)c1cc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C)s1 ZINC000372520701 499137779 /nfs/dbraw/zinc/13/77/79/499137779.db2.gz HEKHOVDATLELMQ-LPHOPBHVSA-N 2 1 373.522 3.363 20 0 FGADMP COC(=O)c1cc(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C)s1 ZINC000372520701 499137780 /nfs/dbraw/zinc/13/77/80/499137780.db2.gz HEKHOVDATLELMQ-LPHOPBHVSA-N 2 1 373.522 3.363 20 0 FGADMP Cc1ccccc1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370216200 499198202 /nfs/dbraw/zinc/19/82/02/499198202.db2.gz PGBARVQNXVSNDA-UHFFFAOYSA-N 2 1 357.542 3.263 20 0 FGADMP CCC[C@H](CC)NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370261762 499203271 /nfs/dbraw/zinc/20/32/71/499203271.db2.gz SASKLAPPQMLINX-IBGZPJMESA-N 2 1 366.594 3.403 20 0 FGADMP COC(=O)c1csc([C@H](C)NC2CC[NH+](CCc3ccncc3)CC2)c1 ZINC000367599929 499216259 /nfs/dbraw/zinc/21/62/59/499216259.db2.gz ITEKVRNRMAUERD-HNNXBMFYSA-N 2 1 373.522 3.287 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000370488841 499225348 /nfs/dbraw/zinc/22/53/48/499225348.db2.gz UNAMMPRXEOYFBQ-OAHLLOKOSA-N 2 1 355.324 3.157 20 0 FGADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000367724816 499228427 /nfs/dbraw/zinc/22/84/27/499228427.db2.gz HQHTUDCFSGTSEM-VWLOTQADSA-N 2 1 356.535 3.319 20 0 FGADMP Cc1ccc(C)c(NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000367883993 499241443 /nfs/dbraw/zinc/24/14/43/499241443.db2.gz DXMHKLOAJNZKTB-UHFFFAOYSA-N 2 1 366.509 3.485 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676628 499243319 /nfs/dbraw/zinc/24/33/19/499243319.db2.gz MOROMUSSFUTGSW-NXHRZFHOSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000370705832 499246155 /nfs/dbraw/zinc/24/61/55/499246155.db2.gz JOFWWFBXPGPUGM-CVDCTZTESA-N 2 1 364.537 3.206 20 0 FGADMP C[NH2+]C[C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000370772935 499253310 /nfs/dbraw/zinc/25/33/10/499253310.db2.gz MSBFXYJGXAIOMJ-LXZKKBNFSA-N 2 1 371.447 3.060 20 0 FGADMP C[N@@H+](Cc1ccc(CO)cc1)[C@@H]1CCC[NH+](Cc2ccc(CO)cc2)CC1 ZINC000368055085 499260338 /nfs/dbraw/zinc/26/03/38/499260338.db2.gz DFNKAKMGPPCRBW-HSZRJFAPSA-N 2 1 368.521 3.158 20 0 FGADMP C[NH+](Cc1ccc(CO)cc1)[C@@H]1CCC[N@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055085 499260340 /nfs/dbraw/zinc/26/03/40/499260340.db2.gz DFNKAKMGPPCRBW-HSZRJFAPSA-N 2 1 368.521 3.158 20 0 FGADMP C[NH+](Cc1ccc(CO)cc1)[C@@H]1CCC[N@@H+](Cc2ccc(CO)cc2)CC1 ZINC000368055085 499260341 /nfs/dbraw/zinc/26/03/41/499260341.db2.gz DFNKAKMGPPCRBW-HSZRJFAPSA-N 2 1 368.521 3.158 20 0 FGADMP CC[C@H]1CCCCN1C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371082307 499287009 /nfs/dbraw/zinc/28/70/09/499287009.db2.gz VXGDIMPIHYYNBY-IBGZPJMESA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)N3CCCCCCC3)CC2)CC1 ZINC000371081641 499287175 /nfs/dbraw/zinc/28/71/75/499287175.db2.gz SCNZLFWNAYUYNB-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP Cc1cc(C)cc(OCCC[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000368342315 499287215 /nfs/dbraw/zinc/28/72/15/499287215.db2.gz GILUZRDJAXFNFM-FQEVSTJZSA-N 2 1 359.558 3.173 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000368416100 499293648 /nfs/dbraw/zinc/29/36/48/499293648.db2.gz HRXSMFAWRZMZLM-YXYSEUPNSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cc(C)cc(NC(=O)[C@H](C)[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000368416100 499293650 /nfs/dbraw/zinc/29/36/50/499293650.db2.gz HRXSMFAWRZMZLM-YXYSEUPNSA-N 2 1 373.541 3.109 20 0 FGADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000371205856 499298237 /nfs/dbraw/zinc/29/82/37/499298237.db2.gz VOFFGXOJVDNBQB-NRFANRHFSA-N 2 1 357.473 3.159 20 0 FGADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1SC ZINC000371296167 499306935 /nfs/dbraw/zinc/30/69/35/499306935.db2.gz XKJUPTQEQVECTN-BRWVUGGUSA-N 2 1 350.528 3.101 20 0 FGADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1SC ZINC000371296167 499306937 /nfs/dbraw/zinc/30/69/37/499306937.db2.gz XKJUPTQEQVECTN-BRWVUGGUSA-N 2 1 350.528 3.101 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300391 499307173 /nfs/dbraw/zinc/30/71/73/499307173.db2.gz PCEWVBVMVDBYOT-KBAYOESNSA-N 2 1 372.431 3.311 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc(OCC(F)(F)F)c1 ZINC000371300391 499307175 /nfs/dbraw/zinc/30/71/75/499307175.db2.gz PCEWVBVMVDBYOT-KBAYOESNSA-N 2 1 372.431 3.311 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)N(C)c2ccccc2)CC1 ZINC000371326921 499310739 /nfs/dbraw/zinc/31/07/39/499310739.db2.gz SBNIQQAOMCBDEF-UHFFFAOYSA-N 2 1 354.498 3.347 20 0 FGADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H]1CN(c3ccccc3)C(=O)O1)CC2)C1CC1 ZINC000371329859 499311308 /nfs/dbraw/zinc/31/13/08/499311308.db2.gz OPRUVDUVMIRKOE-YLJYHZDGSA-N 2 1 369.509 3.208 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610772 499313337 /nfs/dbraw/zinc/31/33/37/499313337.db2.gz DKHQPSYNCOCASB-RDJZCZTQSA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@H](N(C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610772 499313338 /nfs/dbraw/zinc/31/33/38/499313338.db2.gz DKHQPSYNCOCASB-RDJZCZTQSA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@H](N(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)[C@@H](C)C1 ZINC000368610772 499313340 /nfs/dbraw/zinc/31/33/40/499313340.db2.gz DKHQPSYNCOCASB-RDJZCZTQSA-N 2 1 350.576 3.072 20 0 FGADMP C[NH+]1CCC2(CC1)C[C@H]([NH2+]Cc1cnc3n1CCCC3)c1ccccc1O2 ZINC000368651996 499317436 /nfs/dbraw/zinc/31/74/36/499317436.db2.gz JKDPPLBRJRBQAS-IBGZPJMESA-N 2 1 366.509 3.297 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000368785942 499332685 /nfs/dbraw/zinc/33/26/85/499332685.db2.gz WPNGHZJYCAGYLT-OAHLLOKOSA-N 2 1 352.482 3.232 20 0 FGADMP Cc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@@H](C)C3)ccc2n1 ZINC000368930385 499347771 /nfs/dbraw/zinc/34/77/71/499347771.db2.gz KYGNWDDUXVTNDQ-JTSKRJEESA-N 2 1 352.526 3.001 20 0 FGADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]1c1ccccc1 ZINC000371927510 499380591 /nfs/dbraw/zinc/38/05/91/499380591.db2.gz PYISKMXZWJQZAQ-UNMCSNQZSA-N 2 1 350.510 3.464 20 0 FGADMP Cc1c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)oc2c1c(C)ccc2C ZINC000369265939 499385368 /nfs/dbraw/zinc/38/53/68/499385368.db2.gz JQYMVGQQPQASID-QGZVFWFLSA-N 2 1 369.509 3.256 20 0 FGADMP C[C@@H]1CCC[N@H+]1C1CCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1 ZINC000372085447 499397581 /nfs/dbraw/zinc/39/75/81/499397581.db2.gz IZRBHHUVADQCQD-RBUKOAKNSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000372085447 499397582 /nfs/dbraw/zinc/39/75/82/499397582.db2.gz IZRBHHUVADQCQD-RBUKOAKNSA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]1CCC[NH+]1C1CCN(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000372085447 499397584 /nfs/dbraw/zinc/39/75/84/499397584.db2.gz IZRBHHUVADQCQD-RBUKOAKNSA-N 2 1 364.578 3.299 20 0 FGADMP CCN(CC)[C@@H](CNC(=O)NC[C@H]1CCCn2cc(C)nc21)c1ccco1 ZINC000372238644 499411748 /nfs/dbraw/zinc/41/17/48/499411748.db2.gz NLBMPQOUAVRXCD-SJORKVTESA-N 2 1 373.501 3.044 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000372399059 499429346 /nfs/dbraw/zinc/42/93/46/499429346.db2.gz ARIWSQORYLVFOG-LAUBAEHRSA-N 2 1 368.525 3.059 20 0 FGADMP Cc1c(-c2cc(C[NH+]3CCC4(C[C@@H]4C[N@@H+](C)C4CC4)CC3)on2)cnn1C ZINC000373352573 499465003 /nfs/dbraw/zinc/46/50/03/499465003.db2.gz FRIRRTSNRVZFTL-MRXNPFEDSA-N 2 1 369.513 3.080 20 0 FGADMP CC(C)c1ccccc1NC(=O)CN[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373447182 499470120 /nfs/dbraw/zinc/47/01/20/499470120.db2.gz HWLOFYUNZHMREX-WSTZPKSXSA-N 2 1 373.541 3.228 20 0 FGADMP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000378294866 499498796 /nfs/dbraw/zinc/49/87/96/499498796.db2.gz RAOIUXWDNGHQCP-HLAWJBBLSA-N 2 1 355.526 3.032 20 0 FGADMP CCC[N@@H+](CCOCC(F)F)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000375483969 499524391 /nfs/dbraw/zinc/52/43/91/499524391.db2.gz MTVLLHNJYDURTF-UHFFFAOYSA-N 2 1 356.461 3.056 20 0 FGADMP CCC[N@H+](CCOCC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375483969 499524393 /nfs/dbraw/zinc/52/43/93/499524393.db2.gz MTVLLHNJYDURTF-UHFFFAOYSA-N 2 1 356.461 3.056 20 0 FGADMP CCC[N@@H+](CCOCC(F)F)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000375483969 499524395 /nfs/dbraw/zinc/52/43/95/499524395.db2.gz MTVLLHNJYDURTF-UHFFFAOYSA-N 2 1 356.461 3.056 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@@H+]1C ZINC000378514999 499526496 /nfs/dbraw/zinc/52/64/96/499526496.db2.gz GDYCXHXQWCGSAC-QRQLOZEOSA-N 2 1 372.557 3.434 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC[N@H+]1C ZINC000378514999 499526497 /nfs/dbraw/zinc/52/64/97/499526497.db2.gz GDYCXHXQWCGSAC-QRQLOZEOSA-N 2 1 372.557 3.434 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC1)CC(C)C ZINC000573231148 506148818 /nfs/dbraw/zinc/14/88/18/506148818.db2.gz UOOWDJOSPRSPMO-UYAOXDASSA-N 2 1 366.594 3.259 20 0 FGADMP CC[NH+](CCC1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1)CC(C)C ZINC000573231148 506148823 /nfs/dbraw/zinc/14/88/23/506148823.db2.gz UOOWDJOSPRSPMO-UYAOXDASSA-N 2 1 366.594 3.259 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626613 499542234 /nfs/dbraw/zinc/54/22/34/499542234.db2.gz MEOAFJBDLVVUMG-ILWGZMRPSA-N 2 1 368.521 3.377 20 0 FGADMP Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000379626613 499542236 /nfs/dbraw/zinc/54/22/36/499542236.db2.gz MEOAFJBDLVVUMG-ILWGZMRPSA-N 2 1 368.521 3.377 20 0 FGADMP C[C@@H]([NH2+]Cc1cnn(CC(F)(F)F)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381942235 499545418 /nfs/dbraw/zinc/54/54/18/499545418.db2.gz ZFFSXIMUTSGDCO-CRAIPNDOSA-N 2 1 366.431 3.446 20 0 FGADMP C[C@H](NCC(=O)Nc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839755 499551913 /nfs/dbraw/zinc/55/19/13/499551913.db2.gz XXZVYVGUMSWMGL-WMZOPIPTSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000388839755 499551915 /nfs/dbraw/zinc/55/19/15/499551915.db2.gz XXZVYVGUMSWMGL-WMZOPIPTSA-N 2 1 355.457 3.264 20 0 FGADMP C[C@H]([NH2+]CC(=O)Nc1cccc(F)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000388839755 499551916 /nfs/dbraw/zinc/55/19/16/499551916.db2.gz XXZVYVGUMSWMGL-WMZOPIPTSA-N 2 1 355.457 3.264 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C2 ZINC000376059884 499579894 /nfs/dbraw/zinc/57/98/94/499579894.db2.gz YTBYNCWPUFWLKX-QFBILLFUSA-N 2 1 354.498 3.057 20 0 FGADMP C[N@H+](Cc1ccc(-n2ccnc2)nc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376166928 499588465 /nfs/dbraw/zinc/58/84/65/499588465.db2.gz OTNKFTPMAHVMJD-UHFFFAOYSA-N 2 1 362.481 3.011 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000376318096 499599983 /nfs/dbraw/zinc/59/99/83/499599983.db2.gz FSEGSHPPCJDAPO-PGRDOPGGSA-N 2 1 365.521 3.437 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000377132175 499664807 /nfs/dbraw/zinc/66/48/07/499664807.db2.gz WUYFQUWGTPOBIB-XLCOUGHXSA-N 2 1 358.526 3.357 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322903 499680029 /nfs/dbraw/zinc/68/00/29/499680029.db2.gz RMAZRRRTBCCJFB-ROUUACIJSA-N 2 1 373.545 3.015 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCc2c[nH+]c3n2CCCC3)C1 ZINC000377322903 499680031 /nfs/dbraw/zinc/68/00/31/499680031.db2.gz RMAZRRRTBCCJFB-ROUUACIJSA-N 2 1 373.545 3.015 20 0 FGADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCCCOc3ccccc3)C2)CC1 ZINC000377618985 499711007 /nfs/dbraw/zinc/71/10/07/499711007.db2.gz CQMJGXWKGUGHDQ-NRFANRHFSA-N 2 1 359.558 3.195 20 0 FGADMP CN(Cc1c(F)cccc1N1CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377634790 499713418 /nfs/dbraw/zinc/71/34/18/499713418.db2.gz YPPUVDMYAHHYEW-IBGZPJMESA-N 2 1 374.548 3.026 20 0 FGADMP C[N@H+]1CC[C@@H](CNCc2nccn2CC(F)(F)F)[C@H]1c1ccccc1 ZINC000377763728 499730065 /nfs/dbraw/zinc/73/00/65/499730065.db2.gz RYKYTVZFMRBOBK-DOTOQJQBSA-N 2 1 352.404 3.228 20 0 FGADMP CCN1C[C@@H](C)[NH+](CC[C@H](C)CC[N@H+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000411416651 499737462 /nfs/dbraw/zinc/73/74/62/499737462.db2.gz CZYUWGLSEBCWCI-KGWSWXIGSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@@H](C)[N@H+](CC[C@H](C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000411416651 499737463 /nfs/dbraw/zinc/73/74/63/499737463.db2.gz CZYUWGLSEBCWCI-KGWSWXIGSA-N 2 1 366.638 3.232 20 0 FGADMP CCN1C[C@@H](C)[N@@H+](CC[C@H](C)CC[NH+]2C[C@H](C)N(CC)C[C@@H]2C)C[C@@H]1C ZINC000411416651 499737464 /nfs/dbraw/zinc/73/74/64/499737464.db2.gz CZYUWGLSEBCWCI-KGWSWXIGSA-N 2 1 366.638 3.232 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377995782 499754164 /nfs/dbraw/zinc/75/41/64/499754164.db2.gz MGBIHEHTRMEVTM-HXUWFJFHSA-N 2 1 355.526 3.128 20 0 FGADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1csc(-c2ccccc2)n1 ZINC000414130061 499763086 /nfs/dbraw/zinc/76/30/86/499763086.db2.gz VVIFBAIKBYDHOW-KRWDZBQOSA-N 2 1 358.555 3.488 20 0 FGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258378 499772040 /nfs/dbraw/zinc/77/20/40/499772040.db2.gz GAEGHCSCWBLRKT-LNRXMEIDSA-N 2 1 360.542 3.318 20 0 FGADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258378 499772041 /nfs/dbraw/zinc/77/20/41/499772041.db2.gz GAEGHCSCWBLRKT-LNRXMEIDSA-N 2 1 360.542 3.318 20 0 FGADMP COC(=O)c1cc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000411749212 499786130 /nfs/dbraw/zinc/78/61/30/499786130.db2.gz VBYHNOABTOSMQN-RTBURBONSA-N 2 1 370.518 3.489 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1C(C)C ZINC000414523923 499802922 /nfs/dbraw/zinc/80/29/22/499802922.db2.gz FWORCRWWYSXOKN-TZIWHRDSSA-N 2 1 356.514 3.091 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccnn1C(C)C ZINC000414523923 499802924 /nfs/dbraw/zinc/80/29/24/499802924.db2.gz FWORCRWWYSXOKN-TZIWHRDSSA-N 2 1 356.514 3.091 20 0 FGADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000412014825 499813261 /nfs/dbraw/zinc/81/32/61/499813261.db2.gz RBMSLBPWJTTYDF-YADHBBJMSA-N 2 1 369.553 3.388 20 0 FGADMP C[N@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC(C)(C)C[NH3+] ZINC000414665340 499818809 /nfs/dbraw/zinc/81/88/09/499818809.db2.gz UYAGIAWLPIKHAO-UHFFFAOYSA-N 2 1 354.420 3.367 20 0 FGADMP C[N@@H+](Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1)CC(C)(C)C[NH3+] ZINC000414665340 499818811 /nfs/dbraw/zinc/81/88/11/499818811.db2.gz UYAGIAWLPIKHAO-UHFFFAOYSA-N 2 1 354.420 3.367 20 0 FGADMP CC(C)[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694691 499821174 /nfs/dbraw/zinc/82/11/74/499821174.db2.gz DPHXWPYQUMKBAV-OAHLLOKOSA-N 2 1 372.340 3.401 20 0 FGADMP CCC[C@@H](Cc1ccccc1)[N@@H+](CCC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414695502 499821282 /nfs/dbraw/zinc/82/12/82/499821282.db2.gz OXSFXUFVCQRLLH-RTWAWAEBSA-N 2 1 359.558 3.307 20 0 FGADMP CCOC(=O)[C@H](Cc1cccc2ccccc21)[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414740640 499825444 /nfs/dbraw/zinc/82/54/44/499825444.db2.gz DHHIPABJIHCTBH-WWMYMODYSA-N 2 1 354.494 3.292 20 0 FGADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751627 499826568 /nfs/dbraw/zinc/82/65/68/499826568.db2.gz SUYABTAOVRUITI-AWEZNQCLSA-N 2 1 358.313 3.013 20 0 FGADMP COCC[N@H+](Cc1sccc1Br)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414756900 499827021 /nfs/dbraw/zinc/82/70/21/499827021.db2.gz ROMBADMDLPHNOI-OLZOCXBDSA-N 2 1 361.349 3.347 20 0 FGADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(C(F)(F)F)cc1 ZINC000414771716 499829004 /nfs/dbraw/zinc/82/90/04/499829004.db2.gz AHJROZYAJRHHOK-PBHICJAKSA-N 2 1 356.432 3.496 20 0 FGADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000414815089 499834132 /nfs/dbraw/zinc/83/41/32/499834132.db2.gz ZXGOVNHYCUKBDU-BXUZGUMPSA-N 2 1 354.285 3.181 20 0 FGADMP CN(c1ccccc1CNC[C@@H]([NH3+])c1ccccc1)C1CC[NH+](C)CC1 ZINC000414832250 499835445 /nfs/dbraw/zinc/83/54/45/499835445.db2.gz OGBMDXLLKSYTTK-OAQYLSRUSA-N 2 1 352.526 3.007 20 0 FGADMP COc1ccc([C@@H]2CCNC[C@@H]2[NH2+]C/C=C\c2ccccc2OC)cc1 ZINC000414884335 499841258 /nfs/dbraw/zinc/84/12/58/499841258.db2.gz NRTZNWLRHDRSEP-HJIDZEHQSA-N 2 1 352.478 3.452 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000414919495 499844719 /nfs/dbraw/zinc/84/47/19/499844719.db2.gz XDYLYCGWNZGUEK-OAHLLOKOSA-N 2 1 365.428 3.159 20 0 FGADMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414940950 499846861 /nfs/dbraw/zinc/84/68/61/499846861.db2.gz CCHFWFNIWCSPTB-LRDDRELGSA-N 2 1 363.303 3.173 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414948653 499847921 /nfs/dbraw/zinc/84/79/21/499847921.db2.gz MMTSCOYNSBVGAE-YPMHNXCESA-N 2 1 357.292 3.087 20 0 FGADMP CCOc1c(Br)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414948645 499847879 /nfs/dbraw/zinc/84/78/79/499847879.db2.gz MMTSCOYNSBVGAE-AAEUAGOBSA-N 2 1 357.292 3.087 20 0 FGADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000414973986 499850400 /nfs/dbraw/zinc/85/04/00/499850400.db2.gz NJIFQJJBLASCRP-OAHLLOKOSA-N 2 1 369.303 3.088 20 0 FGADMP Cn1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(-c2ccccc2Cl)n1 ZINC000414997072 499853236 /nfs/dbraw/zinc/85/32/36/499853236.db2.gz HBRHRQDKLAZINZ-CYBMUJFWSA-N 2 1 354.832 3.075 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415043104 499857638 /nfs/dbraw/zinc/85/76/38/499857638.db2.gz ADUQQRDYQKAMSK-RDTXWAMCSA-N 2 1 351.922 3.184 20 0 FGADMP CCOc1ccc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000415132274 499868546 /nfs/dbraw/zinc/86/85/46/499868546.db2.gz KQUWGUJDOJVIOZ-UHFFFAOYSA-N 2 1 371.500 3.308 20 0 FGADMP C[C@H]1CC[N@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@H]1C[NH3+] ZINC000415133619 499868582 /nfs/dbraw/zinc/86/85/82/499868582.db2.gz VGMBAQPJKAMXJP-YOEHRIQHSA-N 2 1 366.431 3.367 20 0 FGADMP C[C@H]1CC[N@@H+](Cc2cnn(Cc3ccc(C(F)(F)F)cc3)c2)C[C@@H]1C[NH3+] ZINC000415133619 499868584 /nfs/dbraw/zinc/86/85/84/499868584.db2.gz VGMBAQPJKAMXJP-YOEHRIQHSA-N 2 1 366.431 3.367 20 0 FGADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000415134909 499868767 /nfs/dbraw/zinc/86/87/67/499868767.db2.gz WIJCRPSKXRBEQH-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP Cc1nc(C)c(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)nc1C ZINC000413180688 499923094 /nfs/dbraw/zinc/92/30/94/499923094.db2.gz PIKDBAPXRBMAPP-UHFFFAOYSA-N 2 1 359.562 3.034 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000415922961 499928687 /nfs/dbraw/zinc/92/86/87/499928687.db2.gz OFOXMOWVAZZIRS-GOSISDBHSA-N 2 1 352.482 3.050 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)c1 ZINC000415935974 499930484 /nfs/dbraw/zinc/93/04/84/499930484.db2.gz UTCOHXTZHUWYKY-UHFFFAOYSA-N 2 1 352.482 3.064 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000415950696 499932250 /nfs/dbraw/zinc/93/22/50/499932250.db2.gz HQUCGBXDEQYGSE-FXAWDEMLSA-N 2 1 356.514 3.277 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949921 499932358 /nfs/dbraw/zinc/93/23/58/499932358.db2.gz CLKHNFIEYQALHP-OAHLLOKOSA-N 2 1 362.493 3.248 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)c1ccccc1 ZINC000416177576 499969865 /nfs/dbraw/zinc/96/98/65/499969865.db2.gz GEHNQAVOBFLFDH-VWPQPMDRSA-N 2 1 351.494 3.241 20 0 FGADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000413624268 500006130 /nfs/dbraw/zinc/00/61/30/500006130.db2.gz JHTGGKIOHBIURA-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000417229876 500011965 /nfs/dbraw/zinc/01/19/65/500011965.db2.gz YCUKOZGROBSOKC-FXAWDEMLSA-N 2 1 372.557 3.378 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cnc(-c4ccco4)s3)CC2)CC1 ZINC000421366089 500028951 /nfs/dbraw/zinc/02/89/51/500028951.db2.gz CMKJNVUOIJNNDO-UHFFFAOYSA-N 2 1 374.554 3.395 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)CC(F)(F)F ZINC000573331081 506174092 /nfs/dbraw/zinc/17/40/92/506174092.db2.gz LADVCWOQOVLTBW-INIZCTEOSA-N 2 1 355.448 3.038 20 0 FGADMP C[NH+](C)CCOc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c(F)c1 ZINC000413905172 500091630 /nfs/dbraw/zinc/09/16/30/500091630.db2.gz WHAWFPYMIQRUJI-IBGZPJMESA-N 2 1 359.445 3.008 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(-c3ccccn3)nc2)C1 ZINC000425418421 500098988 /nfs/dbraw/zinc/09/89/88/500098988.db2.gz INKZPAWQTIGIAO-LJQANCHMSA-N 2 1 354.498 3.076 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)c1ccco1 ZINC000416824653 500130800 /nfs/dbraw/zinc/13/08/00/500130800.db2.gz ZUKISFMUHFRHSS-RBUKOAKNSA-N 2 1 366.465 3.035 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1cc2n(n1)CCC2 ZINC000414109435 500155366 /nfs/dbraw/zinc/15/53/66/500155366.db2.gz HFBPIHKAOOLWCL-QGZVFWFLSA-N 2 1 354.498 3.155 20 0 FGADMP Clc1cccc(-c2noc(CC[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000579455043 506179212 /nfs/dbraw/zinc/17/92/12/506179212.db2.gz NWGJCATYCXLBHL-NVXWUHKLSA-N 2 1 360.889 3.397 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000416969670 500170380 /nfs/dbraw/zinc/17/03/80/500170380.db2.gz KXAHHIAZXASVOL-FQEVSTJZSA-N 2 1 354.498 3.026 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[C@H]1CC[NH2+]C1 ZINC000416970977 500170844 /nfs/dbraw/zinc/17/08/44/500170844.db2.gz ONEACTANZWEXRE-RXVVDRJESA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000416970513 500170993 /nfs/dbraw/zinc/17/09/93/500170993.db2.gz NSKYCEKVMQEVAJ-HXUWFJFHSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000416975933 500172872 /nfs/dbraw/zinc/17/28/72/500172872.db2.gz NMNOHZHDSVKNOG-UTKZUKDTSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416983528 500174967 /nfs/dbraw/zinc/17/49/67/500174967.db2.gz XARAZSFXORQLJI-UWJYYQICSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416983527 500175286 /nfs/dbraw/zinc/17/52/86/500175286.db2.gz XARAZSFXORQLJI-UTKZUKDTSA-N 2 1 370.541 3.097 20 0 FGADMP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416991732 500177843 /nfs/dbraw/zinc/17/78/43/500177843.db2.gz OSUDQKOPERDKEE-IIMDRIAPSA-N 2 1 372.557 3.043 20 0 FGADMP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997950 500180005 /nfs/dbraw/zinc/18/00/05/500180005.db2.gz WLRQLUURIQTVFA-UEXGIBASSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000416997871 500180018 /nfs/dbraw/zinc/18/00/18/500180018.db2.gz WIIARWGKWOFUIJ-TWFHAPMSSA-N 2 1 372.557 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417828970 500180133 /nfs/dbraw/zinc/18/01/33/500180133.db2.gz QVXNVHONTSTBEM-JRGCBEDISA-N 2 1 372.557 3.104 20 0 FGADMP COc1ccccc1-n1nccc1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000430017723 500181491 /nfs/dbraw/zinc/18/14/91/500181491.db2.gz UAJGTMMIVXCLMO-UHFFFAOYSA-N 2 1 354.498 3.378 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000417852338 500184558 /nfs/dbraw/zinc/18/45/58/500184558.db2.gz HAYZZFOGIJDYSB-MAUKXSAKSA-N 2 1 355.486 3.073 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983790 500209456 /nfs/dbraw/zinc/20/94/56/500209456.db2.gz CPRAXSFFPLJQRX-UVBJJODRSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@@H](C[NH3+])NC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417983790 500209460 /nfs/dbraw/zinc/20/94/60/500209460.db2.gz CPRAXSFFPLJQRX-UVBJJODRSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H](NC(=O)N(CCC[NH3+])Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000417984132 500209553 /nfs/dbraw/zinc/20/95/53/500209553.db2.gz CRFZSDCSORMGBB-ICSRJNTNSA-N 2 1 372.557 3.200 20 0 FGADMP CCCN(C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417987101 500209985 /nfs/dbraw/zinc/20/99/85/500209985.db2.gz GBECJEPSYBAWIR-AZUAARDMSA-N 2 1 372.557 3.071 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)c1ccc(Cl)cc1 ZINC000418188966 500245911 /nfs/dbraw/zinc/24/59/11/500245911.db2.gz VBUWOQJKUCQJAX-ZTFGCOKTSA-N 2 1 366.937 3.163 20 0 FGADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2cc(C)c(Cl)cc2OC)CC1 ZINC000430552311 500252918 /nfs/dbraw/zinc/25/29/18/500252918.db2.gz NIXDQRWZKCBLBO-CQSZACIVSA-N 2 1 367.921 3.306 20 0 FGADMP Cc1ccc(-c2noc([C@H](C)[NH+]3CCC(OCCC[NH3+])CC3)n2)cc1F ZINC000430555972 500253558 /nfs/dbraw/zinc/25/35/58/500253558.db2.gz JZSSZPUTWKHCSG-AWEZNQCLSA-N 2 1 362.449 3.075 20 0 FGADMP O=C(NCCC[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000418246035 500255506 /nfs/dbraw/zinc/25/55/06/500255506.db2.gz SVJYAZXJPZGMID-SFTDATJTSA-N 2 1 372.557 3.120 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH3+])CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000418298927 500260065 /nfs/dbraw/zinc/26/00/65/500260065.db2.gz RBAFAVMKPVIZPG-ICSRJNTNSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595678 500260307 /nfs/dbraw/zinc/26/03/07/500260307.db2.gz YFWNKLCDGMGQDP-NWZZKEMCSA-N 2 1 357.542 3.190 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C1 ZINC000430595678 500260310 /nfs/dbraw/zinc/26/03/10/500260310.db2.gz YFWNKLCDGMGQDP-NWZZKEMCSA-N 2 1 357.542 3.190 20 0 FGADMP CC(C)[NH+](CCNC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)C(C)C ZINC000582319209 506185800 /nfs/dbraw/zinc/18/58/00/506185800.db2.gz JREHDZFXAJIVEK-QUCCMNQESA-N 2 1 360.546 3.067 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418352285 500266898 /nfs/dbraw/zinc/26/68/98/500266898.db2.gz BVMMKIRUFRCQJS-LJQANCHMSA-N 2 1 352.567 3.048 20 0 FGADMP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418430061 500276134 /nfs/dbraw/zinc/27/61/34/500276134.db2.gz UFTPFEJZZTZGQQ-PKOBYXMFSA-N 2 1 352.567 3.046 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418443571 500277454 /nfs/dbraw/zinc/27/74/54/500277454.db2.gz APNQOKMMMHPWTH-MSOLQXFVSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000418443571 500277455 /nfs/dbraw/zinc/27/74/55/500277455.db2.gz APNQOKMMMHPWTH-MSOLQXFVSA-N 2 1 366.509 3.122 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)NC(C)(C)CC[NH3+])C1 ZINC000422587444 500278222 /nfs/dbraw/zinc/27/82/22/500278222.db2.gz DVKFWCXEZGKXJE-CALCHBBNSA-N 2 1 360.546 3.091 20 0 FGADMP CCCC[C@@H](C[NH3+])NC(=O)N(CC)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000418458369 500279494 /nfs/dbraw/zinc/27/94/94/500279494.db2.gz FMVCBQMKWIKCBV-UXHICEINSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000422734520 500291729 /nfs/dbraw/zinc/29/17/29/500291729.db2.gz TYSFNTAMXZZPDZ-GHTZIAJQSA-N 2 1 359.558 3.308 20 0 FGADMP CCCN(C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000422802382 500299857 /nfs/dbraw/zinc/29/98/57/500299857.db2.gz HLBJLRXLNLGEMK-QZTJIDSGSA-N 2 1 358.530 3.094 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)CC1 ZINC000418642453 500300080 /nfs/dbraw/zinc/30/00/80/500300080.db2.gz AKVSUMSQLGXDAK-OAQYLSRUSA-N 2 1 374.573 3.402 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000418669299 500304558 /nfs/dbraw/zinc/30/45/58/500304558.db2.gz HYUWILFBGYZNBB-SIKLNZKXSA-N 2 1 372.557 3.202 20 0 FGADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C1([NH+]2CCSCC2)CCCC1 ZINC000422853914 500306044 /nfs/dbraw/zinc/30/60/44/500306044.db2.gz ZLJAAJVEMZXKAV-IPMKNSEASA-N 2 1 351.604 3.248 20 0 FGADMP CC(C)C[C@@](C)(C[NH3+])NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422867319 500307528 /nfs/dbraw/zinc/30/75/28/500307528.db2.gz SDMZFBONKYUCHY-UTKZUKDTSA-N 2 1 360.546 3.373 20 0 FGADMP C[NH2+]C1CC[NH+](CCC(=O)N[C@@H](c2cccs2)c2ccccc2)CC1 ZINC000430924151 500307656 /nfs/dbraw/zinc/30/76/56/500307656.db2.gz HQJWPPHAPXFTRE-HXUWFJFHSA-N 2 1 357.523 3.028 20 0 FGADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N(c2nccs2)C2CCCCC2)CC1 ZINC000430937785 500309939 /nfs/dbraw/zinc/30/99/39/500309939.db2.gz FKTHCEUDYBWFIL-GJZGRUSLSA-N 2 1 364.559 3.257 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(N[C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422897427 500313252 /nfs/dbraw/zinc/31/32/52/500313252.db2.gz JREZMMYBTGDTHI-KRWDZBQOSA-N 2 1 352.526 3.472 20 0 FGADMP C[C@@H]([NH2+]CCOc1ncc(C(F)(F)F)cc1Cl)c1c[nH+]ccc1N ZINC000422927260 500317442 /nfs/dbraw/zinc/31/74/42/500317442.db2.gz YNEAEQNLKQGVIY-SECBINFHSA-N 2 1 360.767 3.291 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000422952076 500322756 /nfs/dbraw/zinc/32/27/56/500322756.db2.gz BNMPAJHIVCARHT-KDOFPFPSSA-N 2 1 370.884 3.481 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000431011173 500322868 /nfs/dbraw/zinc/32/28/68/500322868.db2.gz BILPCBYOCHPUOA-CEXWTWQISA-N 2 1 373.541 3.372 20 0 FGADMP C[C@H](CC(=O)Nc1ccc(OCC[N@H+]2CC[C@@H](C)C2)cc1)C1CC[NH2+]CC1 ZINC000431014524 500323192 /nfs/dbraw/zinc/32/31/92/500323192.db2.gz KAZQZVHGNYBZCP-QZTJIDSGSA-N 2 1 373.541 3.372 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423012374 500331075 /nfs/dbraw/zinc/33/10/75/500331075.db2.gz KOLFSQHQNSTVRO-HIFRSBDPSA-N 2 1 353.388 3.027 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431071854 500331961 /nfs/dbraw/zinc/33/19/61/500331961.db2.gz WIQLYMYZCBHCFY-OAQYLSRUSA-N 2 1 371.550 3.418 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)C1CC[NH2+]CC1 ZINC000431071854 500331964 /nfs/dbraw/zinc/33/19/64/500331964.db2.gz WIQLYMYZCBHCFY-OAQYLSRUSA-N 2 1 371.550 3.418 20 0 FGADMP Cc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(-n2cc(Cl)cn2)n1 ZINC000423075550 500339354 /nfs/dbraw/zinc/33/93/54/500339354.db2.gz XIGYMZUEKKJFSU-HNAYVOBHSA-N 2 1 369.900 3.277 20 0 FGADMP C[C@@H]([NH2+][C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000423087320 500340589 /nfs/dbraw/zinc/34/05/89/500340589.db2.gz NWFZBLYKKWNUIT-OCCSQVGLSA-N 2 1 361.287 3.186 20 0 FGADMP C[NH+]1CCC(Oc2ccc(CN[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000423102634 500342458 /nfs/dbraw/zinc/34/24/58/500342458.db2.gz KIRVIGRLWOKJEV-BHIFYINESA-N 2 1 357.542 3.170 20 0 FGADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)N(C)C)cc1 ZINC000423136767 500347034 /nfs/dbraw/zinc/34/70/34/500347034.db2.gz ZHOOESGEJQZFIN-GPJHCHHRSA-N 2 1 373.585 3.235 20 0 FGADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423191796 500353676 /nfs/dbraw/zinc/35/36/76/500353676.db2.gz UBBSGCKWTSXUSK-KRWDZBQOSA-N 2 1 371.481 3.307 20 0 FGADMP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423301040 500362547 /nfs/dbraw/zinc/36/25/47/500362547.db2.gz FEKPSDJUTNSKOS-VQTJNVASSA-N 2 1 351.494 3.103 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000423301295 500362701 /nfs/dbraw/zinc/36/27/01/500362701.db2.gz HDRRBYVOVHTXMJ-INIZCTEOSA-N 2 1 355.457 3.194 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1 ZINC000423301295 500362702 /nfs/dbraw/zinc/36/27/02/500362702.db2.gz HDRRBYVOVHTXMJ-INIZCTEOSA-N 2 1 355.457 3.194 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000423353494 500366995 /nfs/dbraw/zinc/36/69/95/500366995.db2.gz DJYNPNLSYRGWAL-RTBURBONSA-N 2 1 357.542 3.175 20 0 FGADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)cc1 ZINC000423353588 500367035 /nfs/dbraw/zinc/36/70/35/500367035.db2.gz LYMWEZDDMUJSGB-UTKZUKDTSA-N 2 1 351.494 3.491 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000423404991 500371081 /nfs/dbraw/zinc/37/10/81/500371081.db2.gz YOWWNYQBOZVJFZ-HOJAQTOUSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423407645 500371592 /nfs/dbraw/zinc/37/15/92/500371592.db2.gz MWGHGCPTOCRXJM-HKUYNNGSSA-N 2 1 351.494 3.300 20 0 FGADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)C[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000427278974 500376941 /nfs/dbraw/zinc/37/69/41/500376941.db2.gz DXBSADIFFBCROI-JOCHJYFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000427274544 500376953 /nfs/dbraw/zinc/37/69/53/500376953.db2.gz MUVIKHYWGZUDPO-KSZLIROESA-N 2 1 359.514 3.014 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000427274544 500376955 /nfs/dbraw/zinc/37/69/55/500376955.db2.gz MUVIKHYWGZUDPO-KSZLIROESA-N 2 1 359.514 3.014 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000427275565 500376962 /nfs/dbraw/zinc/37/69/62/500376962.db2.gz PQCAYPKHOXGZIW-SBHAEUEKSA-N 2 1 357.542 3.278 20 0 FGADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000423493260 500378881 /nfs/dbraw/zinc/37/88/81/500378881.db2.gz PTYYDRXQPBQFDB-XJKSGUPXSA-N 2 1 353.304 3.140 20 0 FGADMP Fc1ccccc1-c1nc2c(s1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCC2 ZINC000423499438 500379219 /nfs/dbraw/zinc/37/92/19/500379219.db2.gz CNCRBRGAXXRLPW-BBRMVZONSA-N 2 1 361.486 3.295 20 0 FGADMP COc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)cc1 ZINC000431652415 500403405 /nfs/dbraw/zinc/40/34/05/500403405.db2.gz CEKFGNQLPGPEER-FPOVZHCZSA-N 2 1 373.541 3.213 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423812901 500405041 /nfs/dbraw/zinc/40/50/41/500405041.db2.gz PISZVBOGOCLCLZ-XZOAIXRZSA-N 2 1 355.885 3.247 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423812901 500405042 /nfs/dbraw/zinc/40/50/42/500405042.db2.gz PISZVBOGOCLCLZ-XZOAIXRZSA-N 2 1 355.885 3.247 20 0 FGADMP CC[C@@H]1CN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000423820919 500406165 /nfs/dbraw/zinc/40/61/65/500406165.db2.gz HLHHIWOLVFAHRA-DYESRHJHSA-N 2 1 351.494 3.443 20 0 FGADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000423939066 500421160 /nfs/dbraw/zinc/42/11/60/500421160.db2.gz LKMNHKGBKIRWNO-RTWAWAEBSA-N 2 1 351.494 3.030 20 0 FGADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000423939067 500421248 /nfs/dbraw/zinc/42/12/48/500421248.db2.gz LKMNHKGBKIRWNO-SFTDATJTSA-N 2 1 351.494 3.030 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000423992367 500431459 /nfs/dbraw/zinc/43/14/59/500431459.db2.gz GCSMMQRTNUEVDN-FGZHOGPDSA-N 2 1 363.505 3.072 20 0 FGADMP C[NH+](C)[C@H](CC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000431845274 500433380 /nfs/dbraw/zinc/43/33/80/500433380.db2.gz NSWJGPIARHQCKU-SESVDKBCSA-N 2 1 355.526 3.155 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[N@@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000420307922 500438243 /nfs/dbraw/zinc/43/82/43/500438243.db2.gz JFTLMVCQPPEKIT-HNNXBMFYSA-N 2 1 358.511 3.118 20 0 FGADMP Cc1ccc(-c2csc(NC(=O)C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000420307922 500438244 /nfs/dbraw/zinc/43/82/44/500438244.db2.gz JFTLMVCQPPEKIT-HNNXBMFYSA-N 2 1 358.511 3.118 20 0 FGADMP FC(F)(F)c1ccc(CN2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420305580 500438576 /nfs/dbraw/zinc/43/85/76/500438576.db2.gz POSAISVOTWXDHG-INIZCTEOSA-N 2 1 355.448 3.213 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420305795 500438581 /nfs/dbraw/zinc/43/85/81/500438581.db2.gz GURLKGMUQNZFNK-ZFWWWQNUSA-N 2 1 357.454 3.023 20 0 FGADMP CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420305795 500438583 /nfs/dbraw/zinc/43/85/83/500438583.db2.gz GURLKGMUQNZFNK-ZFWWWQNUSA-N 2 1 357.454 3.023 20 0 FGADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420312481 500438732 /nfs/dbraw/zinc/43/87/32/500438732.db2.gz HTEXRLCJQGBVFQ-SFHVURJKSA-N 2 1 359.562 3.199 20 0 FGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420364976 500448845 /nfs/dbraw/zinc/44/88/45/500448845.db2.gz DKJOOQCMCBCOMH-SZMVWBNQSA-N 2 1 361.555 3.499 20 0 FGADMP Cc1nc(C(C)C)sc1[C@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420364976 500448847 /nfs/dbraw/zinc/44/88/47/500448847.db2.gz DKJOOQCMCBCOMH-SZMVWBNQSA-N 2 1 361.555 3.499 20 0 FGADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cc(Cl)ccc1Cl ZINC000420378252 500451214 /nfs/dbraw/zinc/45/12/14/500451214.db2.gz QDJZRMYVGYIAJK-QGZVFWFLSA-N 2 1 356.297 3.398 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420384425 500452713 /nfs/dbraw/zinc/45/27/13/500452713.db2.gz DSYYMRRZEFLTLR-PBHICJAKSA-N 2 1 353.304 3.292 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCSc3ccccc3Cl)C2)nn1 ZINC000420388114 500453245 /nfs/dbraw/zinc/45/32/45/500453245.db2.gz WQJZCZQONIMRPT-OAHLLOKOSA-N 2 1 365.934 3.210 20 0 FGADMP c1sc(C2CCCCC2)nc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394274 500454924 /nfs/dbraw/zinc/45/49/24/500454924.db2.gz ZNARLLXIWWEWSC-MSOLQXFVSA-N 2 1 361.555 3.391 20 0 FGADMP c1sc(C2CCCCC2)nc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394274 500454925 /nfs/dbraw/zinc/45/49/25/500454925.db2.gz ZNARLLXIWWEWSC-MSOLQXFVSA-N 2 1 361.555 3.391 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000424116562 500456360 /nfs/dbraw/zinc/45/63/60/500456360.db2.gz XMDCLCFYOFJSSM-XLIONFOSSA-N 2 1 357.542 3.408 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004231 500457368 /nfs/dbraw/zinc/45/73/68/500457368.db2.gz FTPZPVHZDVGCQH-QFBILLFUSA-N 2 1 363.521 3.273 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C(C)(C)C[NH+](C)C ZINC000428004231 500457369 /nfs/dbraw/zinc/45/73/69/500457369.db2.gz FTPZPVHZDVGCQH-QFBILLFUSA-N 2 1 363.521 3.273 20 0 FGADMP CC(C)[N@@H+]1CCO[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000420480766 500462756 /nfs/dbraw/zinc/46/27/56/500462756.db2.gz ZVVBYMGKHZHJGR-GOSISDBHSA-N 2 1 356.470 3.114 20 0 FGADMP CC(C)[N@H+]1CCO[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000420480766 500462759 /nfs/dbraw/zinc/46/27/59/500462759.db2.gz ZVVBYMGKHZHJGR-GOSISDBHSA-N 2 1 356.470 3.114 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1)C1CC1 ZINC000424248047 500474831 /nfs/dbraw/zinc/47/48/31/500474831.db2.gz WYOURSWSKLSYBJ-KRWDZBQOSA-N 2 1 355.526 3.275 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(C[N@@H+]4CCO[C@H](C)C4)c3)C[C@H]2C1 ZINC000424273713 500480035 /nfs/dbraw/zinc/48/00/35/500480035.db2.gz XIYGUXMEEYIECB-PJYFRALDSA-N 2 1 358.526 3.201 20 0 FGADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3cccc(C[N@H+]4CCO[C@H](C)C4)c3)C[C@H]2C1 ZINC000424273713 500480037 /nfs/dbraw/zinc/48/00/37/500480037.db2.gz XIYGUXMEEYIECB-PJYFRALDSA-N 2 1 358.526 3.201 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283689 500480813 /nfs/dbraw/zinc/48/08/13/500480813.db2.gz BNJVBNQEVNUEHU-IEBWSBKVSA-N 2 1 373.541 3.117 20 0 FGADMP CCOc1ccccc1[C@@H](CC)NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283692 500480857 /nfs/dbraw/zinc/48/08/57/500480857.db2.gz BNJVBNQEVNUEHU-PKOBYXMFSA-N 2 1 373.541 3.117 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424283690 500481013 /nfs/dbraw/zinc/48/10/13/500481013.db2.gz BNJVBNQEVNUEHU-MJGOQNOKSA-N 2 1 373.541 3.117 20 0 FGADMP C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424284228 500481102 /nfs/dbraw/zinc/48/11/02/500481102.db2.gz DCWQSOAKKUMYRV-RBUKOAKNSA-N 2 1 369.553 3.278 20 0 FGADMP CC(C)[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285738 500481227 /nfs/dbraw/zinc/48/12/27/500481227.db2.gz GIFMMWCIRHHNJC-OXJNMPFZSA-N 2 1 361.505 3.103 20 0 FGADMP CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424283686 500481282 /nfs/dbraw/zinc/48/12/82/500481282.db2.gz BNJVBNQEVNUEHU-HKUYNNGSSA-N 2 1 373.541 3.117 20 0 FGADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N[C@H](c1ccccc1)C1CCCC1)CC[NH2+]CC2 ZINC000424289549 500481753 /nfs/dbraw/zinc/48/17/53/500481753.db2.gz LXGSQOWSGDBSOH-XMSQKQJNSA-N 2 1 369.553 3.498 20 0 FGADMP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302304 500483665 /nfs/dbraw/zinc/48/36/65/500483665.db2.gz ZENLGYSJKQAOPW-AWEZNQCLSA-N 2 1 365.905 3.060 20 0 FGADMP CCOc1ccccc1N1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424306284 500483816 /nfs/dbraw/zinc/48/38/16/500483816.db2.gz UYLXJYPIRMUEIJ-GOSISDBHSA-N 2 1 357.473 3.089 20 0 FGADMP C[C@H](N(C)CC(=O)Nc1nc(CN2CCC(C)CC2)cs1)C1(C)CC1 ZINC000428239841 500485240 /nfs/dbraw/zinc/48/52/40/500485240.db2.gz RLRPIGUUWYKWHR-HNNXBMFYSA-N 2 1 364.559 3.434 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)cc1 ZINC000424419630 500500755 /nfs/dbraw/zinc/50/07/55/500500755.db2.gz SFOPGMJWPSMSSN-PZJWPPBQSA-N 2 1 364.493 3.144 20 0 FGADMP COc1ccc(Br)cc1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000432349819 500503120 /nfs/dbraw/zinc/50/31/20/500503120.db2.gz XCRCIERWVVQBJX-CQSZACIVSA-N 2 1 371.319 3.048 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c(OC(F)F)cc1C ZINC000432359868 500505032 /nfs/dbraw/zinc/50/50/32/500505032.db2.gz UJMHWSOMZZGSDG-MRXNPFEDSA-N 2 1 356.457 3.495 20 0 FGADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(OC(F)F)cc1C ZINC000432359868 500505033 /nfs/dbraw/zinc/50/50/33/500505033.db2.gz UJMHWSOMZZGSDG-MRXNPFEDSA-N 2 1 356.457 3.495 20 0 FGADMP CCc1nc(C)c(CN(C)C[C@@H]2CCC[N@H+](CC)[C@H]2c2cnn(C)c2)o1 ZINC000428433005 500509175 /nfs/dbraw/zinc/50/91/75/500509175.db2.gz RVXZHRQRZGEPNB-OXJNMPFZSA-N 2 1 359.518 3.184 20 0 FGADMP CCc1nc(C)c(C[N@@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)o1 ZINC000428433005 500509178 /nfs/dbraw/zinc/50/91/78/500509178.db2.gz RVXZHRQRZGEPNB-OXJNMPFZSA-N 2 1 359.518 3.184 20 0 FGADMP CCc1nc(C)c(C[N@H+](C)C[C@@H]2CCCN(CC)[C@H]2c2cnn(C)c2)o1 ZINC000428433005 500509181 /nfs/dbraw/zinc/50/91/81/500509181.db2.gz RVXZHRQRZGEPNB-OXJNMPFZSA-N 2 1 359.518 3.184 20 0 FGADMP Cc1c([C@H](C)NCCC[N@H+]2CCCO[C@H](C)C2)nnn1-c1ccc(C)cc1 ZINC000432412778 500512908 /nfs/dbraw/zinc/51/29/08/500512908.db2.gz CVDFCUQXRMGURR-MSOLQXFVSA-N 2 1 371.529 3.036 20 0 FGADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417943 500514202 /nfs/dbraw/zinc/51/42/02/500514202.db2.gz PILWFOUPBKQGQS-JKSUJKDBSA-N 2 1 359.514 3.068 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000432417943 500514205 /nfs/dbraw/zinc/51/42/05/500514205.db2.gz PILWFOUPBKQGQS-JKSUJKDBSA-N 2 1 359.514 3.068 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCS2 ZINC000432428910 500515027 /nfs/dbraw/zinc/51/50/27/500515027.db2.gz OBBWOCAWUYKJPN-MAUKXSAKSA-N 2 1 350.528 3.323 20 0 FGADMP CC[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420889887 500522909 /nfs/dbraw/zinc/52/29/09/500522909.db2.gz JQBNNOHPTLMYNO-NYLDSWQDSA-N 2 1 372.557 3.165 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cc(F)cc4cccnc43)CC2)CC1 ZINC000420982472 500547881 /nfs/dbraw/zinc/54/78/81/500547881.db2.gz OUGWSQVWNQNSMV-UHFFFAOYSA-N 2 1 370.516 3.366 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)CC1 ZINC000432781774 500562798 /nfs/dbraw/zinc/56/27/98/500562798.db2.gz PTMPCTVGGPFARD-MOPGFXCFSA-N 2 1 371.569 3.444 20 0 FGADMP CN(CC[N@@H+](C)CCc1cc(Cl)cc(Cl)c1)C1CC[NH+](C)CC1 ZINC000447310433 500590064 /nfs/dbraw/zinc/59/00/64/500590064.db2.gz XRCJJYYPVSEJQK-UHFFFAOYSA-N 2 1 358.357 3.494 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783793 500625108 /nfs/dbraw/zinc/62/51/08/500625108.db2.gz RZCYLAITYSWLKH-UWVAXJGDSA-N 2 1 357.542 3.317 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N1CCC[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000442783793 500625112 /nfs/dbraw/zinc/62/51/12/500625112.db2.gz RZCYLAITYSWLKH-UWVAXJGDSA-N 2 1 357.542 3.317 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@]12CCCO2 ZINC000447597678 500631253 /nfs/dbraw/zinc/63/12/53/500631253.db2.gz TUQXBJWHEPMPBW-KVAWTYEWSA-N 2 1 370.537 3.498 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCCO2 ZINC000442874880 500637736 /nfs/dbraw/zinc/63/77/36/500637736.db2.gz MVRZVKIENYWOAG-SFHVURJKSA-N 2 1 365.949 3.478 20 0 FGADMP CCOc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(Br)c1OC ZINC000442917138 500646456 /nfs/dbraw/zinc/64/64/56/500646456.db2.gz CGTDFISPMIFVPB-CYBMUJFWSA-N 2 1 371.319 3.417 20 0 FGADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)C1 ZINC000442933052 500649012 /nfs/dbraw/zinc/64/90/12/500649012.db2.gz ZLVIAUATZOFEIH-YJBOKZPZSA-N 2 1 352.906 3.459 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000443068209 500673605 /nfs/dbraw/zinc/67/36/05/500673605.db2.gz VQIUJKSASXGMPI-LLVKDONJSA-N 2 1 363.811 3.358 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccccc2)c2ccccc2)C1 ZINC000443073680 500675279 /nfs/dbraw/zinc/67/52/79/500675279.db2.gz PFKHANPVABFPNY-HXUWFJFHSA-N 2 1 351.494 3.281 20 0 FGADMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443079033 500675851 /nfs/dbraw/zinc/67/58/51/500675851.db2.gz YCLHSBHJSBCIIT-CYBMUJFWSA-N 2 1 358.313 3.013 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000443079433 500676321 /nfs/dbraw/zinc/67/63/21/500676321.db2.gz ZMWRCDKEIHYBCM-OLZOCXBDSA-N 2 1 358.313 3.231 20 0 FGADMP c1ccc(COc2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)nc1 ZINC000573564642 506212597 /nfs/dbraw/zinc/21/25/97/506212597.db2.gz HRVNAXHTILREGU-PMACEKPBSA-N 2 1 351.494 3.482 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000437864115 500708884 /nfs/dbraw/zinc/70/88/84/500708884.db2.gz IGGOZGWSUVTAQR-WOJBJXKFSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000437864115 500708886 /nfs/dbraw/zinc/70/88/86/500708886.db2.gz IGGOZGWSUVTAQR-WOJBJXKFSA-N 2 1 362.562 3.100 20 0 FGADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000437864115 500708889 /nfs/dbraw/zinc/70/88/89/500708889.db2.gz IGGOZGWSUVTAQR-WOJBJXKFSA-N 2 1 362.562 3.100 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)C1 ZINC000570656001 506210747 /nfs/dbraw/zinc/21/07/47/506210747.db2.gz WSOZQEQEVIWAMJ-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000570656001 506210749 /nfs/dbraw/zinc/21/07/49/506210749.db2.gz WSOZQEQEVIWAMJ-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[NH+]1CC[C@@H](CNC(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)C1 ZINC000570656001 506210750 /nfs/dbraw/zinc/21/07/50/506210750.db2.gz WSOZQEQEVIWAMJ-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000448211311 500733665 /nfs/dbraw/zinc/73/36/65/500733665.db2.gz BZXGMKKSYSWXLS-IBGZPJMESA-N 2 1 354.583 3.163 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000448220222 500735199 /nfs/dbraw/zinc/73/51/99/500735199.db2.gz MXKKBKKCWKYRHW-IBGZPJMESA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@H+](C)C2CCCCC2)C1 ZINC000448220222 500735201 /nfs/dbraw/zinc/73/52/01/500735201.db2.gz MXKKBKKCWKYRHW-IBGZPJMESA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)NCCC[N@@H+](C)C2CCCCC2)C1 ZINC000448220222 500735203 /nfs/dbraw/zinc/73/52/03/500735203.db2.gz MXKKBKKCWKYRHW-IBGZPJMESA-N 2 1 366.594 3.308 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438141681 500744578 /nfs/dbraw/zinc/74/45/78/500744578.db2.gz KSRAMPPELUTRND-AZUAARDMSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438141681 500744582 /nfs/dbraw/zinc/74/45/82/500744582.db2.gz KSRAMPPELUTRND-AZUAARDMSA-N 2 1 364.578 3.203 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438141681 500744586 /nfs/dbraw/zinc/74/45/86/500744586.db2.gz KSRAMPPELUTRND-AZUAARDMSA-N 2 1 364.578 3.203 20 0 FGADMP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000433940274 500768456 /nfs/dbraw/zinc/76/84/56/500768456.db2.gz KQCJJHVFCYFDLG-RTWAWAEBSA-N 2 1 370.541 3.140 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443994250 500788393 /nfs/dbraw/zinc/78/83/93/500788393.db2.gz KYTYZYYWAQAMSA-AWEZNQCLSA-N 2 1 371.428 3.018 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000443994250 500788397 /nfs/dbraw/zinc/78/83/97/500788397.db2.gz KYTYZYYWAQAMSA-AWEZNQCLSA-N 2 1 371.428 3.018 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421077 506218238 /nfs/dbraw/zinc/21/82/38/506218238.db2.gz VHKZFNHKZDJXAL-ZWKOTPCHSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Oc2ccccc2)cc1 ZINC000582421077 506218240 /nfs/dbraw/zinc/21/82/40/506218240.db2.gz VHKZFNHKZDJXAL-ZWKOTPCHSA-N 2 1 365.477 3.349 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000438827466 500824076 /nfs/dbraw/zinc/82/40/76/500824076.db2.gz SGYOKIVBHSXYFN-UHFFFAOYSA-N 2 1 359.558 3.130 20 0 FGADMP CCO[C@@H]1C[C@](CO)([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1(C)C ZINC000438829990 500824803 /nfs/dbraw/zinc/82/48/03/500824803.db2.gz SWJBPNSIPRXERV-LLMJNHHCSA-N 2 1 360.542 3.053 20 0 FGADMP C[C@H]([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000434691001 500880105 /nfs/dbraw/zinc/88/01/05/500880105.db2.gz MIPMIQSJTYHMGP-YEWWUXTCSA-N 2 1 371.447 3.332 20 0 FGADMP C[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037455 500907102 /nfs/dbraw/zinc/90/71/02/500907102.db2.gz NHONXSUFWXJKFH-QINHECLXSA-N 2 1 351.485 3.026 20 0 FGADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1cc(F)cc(F)c1 ZINC000449037455 500907107 /nfs/dbraw/zinc/90/71/07/500907107.db2.gz NHONXSUFWXJKFH-QINHECLXSA-N 2 1 351.485 3.026 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc2ccccc21 ZINC000449037126 500907335 /nfs/dbraw/zinc/90/73/35/500907335.db2.gz MJRBWXMGNKYERY-PGRDOPGGSA-N 2 1 367.537 3.306 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+]C1CC(c2ccc(Br)cc2F)C1 ZINC000449080427 500919162 /nfs/dbraw/zinc/91/91/62/500919162.db2.gz WCGNSNZNCXHWFL-UHFFFAOYSA-N 2 1 373.310 3.392 20 0 FGADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449081676 500920399 /nfs/dbraw/zinc/92/03/99/500920399.db2.gz HBOZUROXWNNBNG-ZWKOTPCHSA-N 2 1 366.571 3.295 20 0 FGADMP COc1cc(F)cc(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000449096406 500924109 /nfs/dbraw/zinc/92/41/09/500924109.db2.gz HJGZDELLCNINLX-INIZCTEOSA-N 2 1 358.457 3.345 20 0 FGADMP COc1cc(F)cc(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)c1 ZINC000449096406 500924112 /nfs/dbraw/zinc/92/41/12/500924112.db2.gz HJGZDELLCNINLX-INIZCTEOSA-N 2 1 358.457 3.345 20 0 FGADMP Fc1cc(Br)cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000449159630 500937509 /nfs/dbraw/zinc/93/75/09/500937509.db2.gz HUFABSSZXNGNSX-CYBMUJFWSA-N 2 1 371.294 3.179 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)C1CCC1 ZINC000449223767 500952097 /nfs/dbraw/zinc/95/20/97/500952097.db2.gz YYKHUGHJCQQLNT-FQEVSTJZSA-N 2 1 359.514 3.016 20 0 FGADMP O=C(NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439965192 500960543 /nfs/dbraw/zinc/96/05/43/500960543.db2.gz ZUDYZLIZKOXDSW-NHCUHLMSSA-N 2 1 355.526 3.174 20 0 FGADMP C[C@@H]([NH3+])C1CC[NH+](Cc2cn(-c3ccc(Cl)cc3Cl)nn2)CC1 ZINC000435367916 500960694 /nfs/dbraw/zinc/96/06/94/500960694.db2.gz BSVGDJHDZMFAOD-LLVKDONJSA-N 2 1 354.285 3.133 20 0 FGADMP Cn1ccnc1C[N@H+](Cc1ccc2c(c1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000435433769 500975564 /nfs/dbraw/zinc/97/55/64/500975564.db2.gz PDKWEJBILDDTGT-FQEVSTJZSA-N 2 1 350.510 3.053 20 0 FGADMP Cn1ccnc1C[N@@H+](Cc1ccc2c(c1)CCC2)[C@H]1CC12CC[NH2+]CC2 ZINC000435433769 500975566 /nfs/dbraw/zinc/97/55/66/500975566.db2.gz PDKWEJBILDDTGT-FQEVSTJZSA-N 2 1 350.510 3.053 20 0 FGADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000449343931 500982614 /nfs/dbraw/zinc/98/26/14/500982614.db2.gz OFTDTODFEITDIE-YZGWKJHDSA-N 2 1 360.567 3.256 20 0 FGADMP C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@H+](C2CC2)C1 ZINC000449344460 500983093 /nfs/dbraw/zinc/98/30/93/500983093.db2.gz CMWPUIWCDIQEDI-IBGZPJMESA-N 2 1 370.585 3.133 20 0 FGADMP C[C@@H]1CN(C2CC2)CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449344460 500983097 /nfs/dbraw/zinc/98/30/97/500983097.db2.gz CMWPUIWCDIQEDI-IBGZPJMESA-N 2 1 370.585 3.133 20 0 FGADMP C[C@@H]1CN(C2CC2)CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000449344460 500983099 /nfs/dbraw/zinc/98/30/99/500983099.db2.gz CMWPUIWCDIQEDI-IBGZPJMESA-N 2 1 370.585 3.133 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)[C@@H](C)O1 ZINC000449345411 500983147 /nfs/dbraw/zinc/98/31/47/500983147.db2.gz VMGATZLOZHPFKK-UKAVVXHISA-N 2 1 358.526 3.071 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)Cc1cccc(F)c1 ZINC000449358702 500986491 /nfs/dbraw/zinc/98/64/91/500986491.db2.gz FZFMBHLJEGMANJ-CWKRKGSWSA-N 2 1 368.496 3.229 20 0 FGADMP CC[N@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435611771 501001793 /nfs/dbraw/zinc/00/17/93/501001793.db2.gz CVHCRTWFGLRORT-GHTZIAJQSA-N 2 1 371.550 3.418 20 0 FGADMP CC[N@@H+](CC(=O)N[C@@H](c1cccs1)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435611771 501001796 /nfs/dbraw/zinc/00/17/96/501001796.db2.gz CVHCRTWFGLRORT-GHTZIAJQSA-N 2 1 371.550 3.418 20 0 FGADMP CC[N@@H+](CCC(=O)Nc1cc(Cl)ccc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435623131 501003971 /nfs/dbraw/zinc/00/39/71/501003971.db2.gz GGDMBJFVARZFNV-HNNXBMFYSA-N 2 1 353.894 3.141 20 0 FGADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435629178 501004623 /nfs/dbraw/zinc/00/46/23/501004623.db2.gz WXOIRSQNKJLKDG-PZJWPPBQSA-N 2 1 373.541 3.213 20 0 FGADMP CCOc1ccc([C@H]2CCCN2C(=O)C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435629178 501004625 /nfs/dbraw/zinc/00/46/25/501004625.db2.gz WXOIRSQNKJLKDG-PZJWPPBQSA-N 2 1 373.541 3.213 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499901 501018512 /nfs/dbraw/zinc/01/85/12/501018512.db2.gz MPCKGNDVPVXARO-FPOVZHCZSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499901 501018515 /nfs/dbraw/zinc/01/85/15/501018515.db2.gz MPCKGNDVPVXARO-FPOVZHCZSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499901 501018518 /nfs/dbraw/zinc/01/85/18/501018518.db2.gz MPCKGNDVPVXARO-FPOVZHCZSA-N 2 1 357.542 3.056 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000449499901 501018521 /nfs/dbraw/zinc/01/85/21/501018521.db2.gz MPCKGNDVPVXARO-FPOVZHCZSA-N 2 1 357.542 3.056 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)CC1 ZINC000449548277 501030724 /nfs/dbraw/zinc/03/07/24/501030724.db2.gz MFVULIAASJUEHV-INIZCTEOSA-N 2 1 360.452 3.217 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)c2nccn2CC)CC1 ZINC000449562130 501033823 /nfs/dbraw/zinc/03/38/23/501033823.db2.gz HFTQZNBUQBPAJV-GOSISDBHSA-N 2 1 355.530 3.286 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](C)n3ccnc32)CC1 ZINC000449573823 501035854 /nfs/dbraw/zinc/03/58/54/501035854.db2.gz SFQBUXSPBRZDEX-MJGOQNOKSA-N 2 1 353.514 3.211 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000611625888 506232574 /nfs/dbraw/zinc/23/25/74/506232574.db2.gz QLGYHOYCDLRRMB-UHFFFAOYSA-N 2 1 374.573 3.331 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449770786 501082632 /nfs/dbraw/zinc/08/26/32/501082632.db2.gz IZIXXEFORFGIFW-MJUUVYJYSA-N 2 1 368.525 3.140 20 0 FGADMP Cc1ccc([C@H]2CCC[C@H]2[N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000441352983 501125603 /nfs/dbraw/zinc/12/56/03/501125603.db2.gz LGZDPFCDMRXLBI-FGZHOGPDSA-N 2 1 369.553 3.306 20 0 FGADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000450467279 501128233 /nfs/dbraw/zinc/12/82/33/501128233.db2.gz IKRYFNUSHOOTTM-XXBNENTESA-N 2 1 367.537 3.185 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@]1(C)CC=CCC1 ZINC000450122031 501187040 /nfs/dbraw/zinc/18/70/40/501187040.db2.gz YXFSMUPTEMYVQE-JOCHJYFZSA-N 2 1 361.574 3.388 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@@H]2CCCOC2)ccc1F)[C@@H]1CCCOC1 ZINC000450978434 501236625 /nfs/dbraw/zinc/23/66/25/501236625.db2.gz MCXFUSWGILIYGW-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCCOC2)c1)[C@@H]1CCCOC1 ZINC000450978434 501236626 /nfs/dbraw/zinc/23/66/26/501236626.db2.gz MCXFUSWGILIYGW-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCCOC2)c1)[C@@H]1CCCOC1 ZINC000450978434 501236627 /nfs/dbraw/zinc/23/66/27/501236627.db2.gz MCXFUSWGILIYGW-RTBURBONSA-N 2 1 350.478 3.047 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC45CCC(CC4)C5)CC3)C2)cc1 ZINC000450981983 501236684 /nfs/dbraw/zinc/23/66/84/501236684.db2.gz JRCDKTDGIJNLCS-APKLWFBNSA-N 2 1 353.554 3.459 20 0 FGADMP C(C[NH+]1CCC[C@@]2(CCC[N@H+](CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241660 /nfs/dbraw/zinc/24/16/60/501241660.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 2 1 350.547 3.018 20 0 FGADMP C(C[N@H+]1CCC[C@@]2(CCC[NH+](CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241661 /nfs/dbraw/zinc/24/16/61/501241661.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 2 1 350.547 3.018 20 0 FGADMP C(C[N@@H+]1CCC[C@@]2(CCC[NH+](CC[C@H]3CCOC3)C2)C1)[C@@H]1CCOC1 ZINC000451045987 501241662 /nfs/dbraw/zinc/24/16/62/501241662.db2.gz NKENWYLTOSNAOH-QHAWAJNXSA-N 2 1 350.547 3.018 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1)c1ccncc1 ZINC000453067938 501262320 /nfs/dbraw/zinc/26/23/20/501262320.db2.gz SGSHUFAZBCPQHV-QFIPXVFZSA-N 2 1 352.526 3.460 20 0 FGADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000453083449 501265449 /nfs/dbraw/zinc/26/54/49/501265449.db2.gz DEKPHEYOURLKKF-QGZVFWFLSA-N 2 1 356.514 3.239 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(F)c(I)c1 ZINC000453101804 501268963 /nfs/dbraw/zinc/26/89/63/501268963.db2.gz YSAOUCALXUASCG-SNVBAGLBSA-N 2 1 362.230 3.175 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453122157 501273420 /nfs/dbraw/zinc/27/34/20/501273420.db2.gz LGUANLSQHUCCCQ-UEVCKROQSA-N 2 1 367.537 3.265 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453122157 501273422 /nfs/dbraw/zinc/27/34/22/501273422.db2.gz LGUANLSQHUCCCQ-UEVCKROQSA-N 2 1 367.537 3.265 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453122156 501273425 /nfs/dbraw/zinc/27/34/25/501273425.db2.gz LGUANLSQHUCCCQ-PTUXOGIPSA-N 2 1 367.537 3.265 20 0 FGADMP C[C@H](CCCc1cccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000453122156 501273427 /nfs/dbraw/zinc/27/34/27/501273427.db2.gz LGUANLSQHUCCCQ-PTUXOGIPSA-N 2 1 367.537 3.265 20 0 FGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451403628 501284435 /nfs/dbraw/zinc/28/44/35/501284435.db2.gz DORGXNSHMCHUIP-PVAVHDDUSA-N 2 1 371.447 3.068 20 0 FGADMP C[C@@H]1C[C@@H](C(F)(F)F)CC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451403628 501284439 /nfs/dbraw/zinc/28/44/39/501284439.db2.gz DORGXNSHMCHUIP-PVAVHDDUSA-N 2 1 371.447 3.068 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]31)CC2 ZINC000453205236 501290755 /nfs/dbraw/zinc/29/07/55/501290755.db2.gz SXQSUXBBFMRAKG-CGXNFDGLSA-N 2 1 350.510 3.231 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000453287830 501308797 /nfs/dbraw/zinc/30/87/97/501308797.db2.gz OPVYVFPJKFRCQT-GDBMZVCRSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000453287830 501308800 /nfs/dbraw/zinc/30/88/00/501308800.db2.gz OPVYVFPJKFRCQT-GDBMZVCRSA-N 2 1 359.436 3.327 20 0 FGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528078 501313413 /nfs/dbraw/zinc/31/34/13/501313413.db2.gz KXZYXGUHPAKSPQ-LEWJYISDSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528078 501313417 /nfs/dbraw/zinc/31/34/17/501313417.db2.gz KXZYXGUHPAKSPQ-LEWJYISDSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528078 501313420 /nfs/dbraw/zinc/31/34/20/501313420.db2.gz KXZYXGUHPAKSPQ-LEWJYISDSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528078 501313423 /nfs/dbraw/zinc/31/34/23/501313423.db2.gz KXZYXGUHPAKSPQ-LEWJYISDSA-N 2 1 351.579 3.469 20 0 FGADMP CCCC[C@H](CC)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528078 501313425 /nfs/dbraw/zinc/31/34/25/501313425.db2.gz KXZYXGUHPAKSPQ-LEWJYISDSA-N 2 1 351.579 3.469 20 0 FGADMP CCn1ccnc1[C@H](C)NC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000455477655 501313596 /nfs/dbraw/zinc/31/35/96/501313596.db2.gz UMKKZXUZJVIRAE-MSOLQXFVSA-N 2 1 369.513 3.270 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531826 501314416 /nfs/dbraw/zinc/31/44/16/501314416.db2.gz KLZJSSUEIVFXCO-NFBKMPQASA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531826 501314417 /nfs/dbraw/zinc/31/44/17/501314417.db2.gz KLZJSSUEIVFXCO-NFBKMPQASA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531826 501314419 /nfs/dbraw/zinc/31/44/19/501314419.db2.gz KLZJSSUEIVFXCO-NFBKMPQASA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)CCc3ccccc3)C2)CC1 ZINC000451531826 501314421 /nfs/dbraw/zinc/31/44/21/501314421.db2.gz KLZJSSUEIVFXCO-NFBKMPQASA-N 2 1 371.569 3.274 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532437 501315564 /nfs/dbraw/zinc/31/55/64/501315564.db2.gz TURJEDIQCWAZMO-FPOVZHCZSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532437 501315566 /nfs/dbraw/zinc/31/55/66/501315566.db2.gz TURJEDIQCWAZMO-FPOVZHCZSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532437 501315567 /nfs/dbraw/zinc/31/55/67/501315567.db2.gz TURJEDIQCWAZMO-FPOVZHCZSA-N 2 1 363.590 3.469 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H](C)C3CCCCC3)C2)CC1 ZINC000451532437 501315569 /nfs/dbraw/zinc/31/55/69/501315569.db2.gz TURJEDIQCWAZMO-FPOVZHCZSA-N 2 1 363.590 3.469 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000453380064 501322365 /nfs/dbraw/zinc/32/23/65/501322365.db2.gz ZMDUYSGSQBWCDU-NPNMTCQASA-N 2 1 374.479 3.461 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H]3CCCCN3C2=O)CC1 ZINC000453428931 501330286 /nfs/dbraw/zinc/33/02/86/501330286.db2.gz IAOSQTJILXFPPW-TZWRJOPASA-N 2 1 355.526 3.173 20 0 FGADMP CCCC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1OC ZINC000451654338 501345321 /nfs/dbraw/zinc/34/53/21/501345321.db2.gz VAGVQKMKVGOWLN-NHCUHLMSSA-N 2 1 353.595 3.462 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH+](C)C1CC1 ZINC000455607634 501345955 /nfs/dbraw/zinc/34/59/55/501345955.db2.gz JCJOVYKSEJYXHM-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000455607634 501345959 /nfs/dbraw/zinc/34/59/59/501345959.db2.gz JCJOVYKSEJYXHM-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000455607634 501345961 /nfs/dbraw/zinc/34/59/61/501345961.db2.gz JCJOVYKSEJYXHM-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)NCCCC[N@H+](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000455610420 501346574 /nfs/dbraw/zinc/34/65/74/501346574.db2.gz KZNSYTOLWNANOV-OAQYLSRUSA-N 2 1 372.557 3.306 20 0 FGADMP COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2cc(C)c3[nH+]ccn3c2)cc1 ZINC000455614006 501347597 /nfs/dbraw/zinc/34/75/97/501347597.db2.gz HANWFMXWKBKXGZ-GOSISDBHSA-N 2 1 367.453 3.076 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2)C1CC1 ZINC000453604329 501359559 /nfs/dbraw/zinc/35/95/59/501359559.db2.gz ZFOFSMQCADLDIM-UHFFFAOYSA-N 2 1 369.303 3.184 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[N@@H+](C)CC1)c1ccccc1Cl ZINC000611664392 506248861 /nfs/dbraw/zinc/24/88/61/506248861.db2.gz GSZXFHLIJYGLEP-SFHVURJKSA-N 2 1 366.937 3.070 20 0 FGADMP CN(C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000455871708 501403930 /nfs/dbraw/zinc/40/39/30/501403930.db2.gz YKHCEOQUMOXZPG-WMWLNJEOSA-N 2 1 356.514 3.324 20 0 FGADMP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000458544401 501470532 /nfs/dbraw/zinc/47/05/32/501470532.db2.gz XUSJCSRAZKCREF-IRXDYDNUSA-N 2 1 369.513 3.367 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)C1 ZINC000458578220 501479129 /nfs/dbraw/zinc/47/91/29/501479129.db2.gz QOFBQNVVICSSSY-SOAGJPPSSA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367184 501524445 /nfs/dbraw/zinc/52/44/45/501524445.db2.gz NSAWSBYMKDYSNU-PXNSSMCTSA-N 2 1 370.541 3.138 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454367180 501524634 /nfs/dbraw/zinc/52/46/34/501524634.db2.gz NSAWSBYMKDYSNU-FXAWDEMLSA-N 2 1 370.541 3.138 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)[NH+](C)C ZINC000458783439 501530692 /nfs/dbraw/zinc/53/06/92/501530692.db2.gz VDQUKLKJGNTXQL-VCOUNFBDSA-N 2 1 372.557 3.114 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000458981244 501570541 /nfs/dbraw/zinc/57/05/41/501570541.db2.gz TVOYEKFNXKUXSO-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000458981244 501570544 /nfs/dbraw/zinc/57/05/44/501570544.db2.gz TVOYEKFNXKUXSO-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000458981244 501570545 /nfs/dbraw/zinc/57/05/45/501570545.db2.gz TVOYEKFNXKUXSO-QUCCMNQESA-N 2 1 372.557 3.023 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1 ZINC000456687260 501577461 /nfs/dbraw/zinc/57/74/61/501577461.db2.gz WZLZHNPMZCGLGF-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1 ZINC000456687260 501577464 /nfs/dbraw/zinc/57/74/64/501577464.db2.gz WZLZHNPMZCGLGF-NRFANRHFSA-N 2 1 373.516 3.313 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000454619037 501593999 /nfs/dbraw/zinc/59/39/99/501593999.db2.gz ZXCOHTMTCXUKPV-KRWDZBQOSA-N 2 1 364.578 3.013 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1(CNC(=O)NCCC2CC[NH+](C)CC2)CCC1 ZINC000454632948 501597265 /nfs/dbraw/zinc/59/72/65/501597265.db2.gz AUJPVELKFLRIPA-UHFFFAOYSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000459268540 501622261 /nfs/dbraw/zinc/62/22/61/501622261.db2.gz SENRKRZTBPPHQJ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)C1 ZINC000459268540 501622262 /nfs/dbraw/zinc/62/22/62/501622262.db2.gz SENRKRZTBPPHQJ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000459268540 501622264 /nfs/dbraw/zinc/62/22/64/501622264.db2.gz SENRKRZTBPPHQJ-AQNXPRMDSA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459306508 501628194 /nfs/dbraw/zinc/62/81/94/501628194.db2.gz LXORQPSETXWEIL-HXUWFJFHSA-N 2 1 366.594 3.262 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000459305917 501628347 /nfs/dbraw/zinc/62/83/47/501628347.db2.gz RBNRDDVJKWWZLR-UHFFFAOYSA-N 2 1 374.554 3.126 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000459355920 501638187 /nfs/dbraw/zinc/63/81/87/501638187.db2.gz QCYGPRBRZURPGE-UHFFFAOYSA-N 2 1 364.287 3.021 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC)CC2)[C@H]1Sc1ccccc1 ZINC000459389084 501644651 /nfs/dbraw/zinc/64/46/51/501644651.db2.gz QGACLSONVHQMIR-XUVXKRRUSA-N 2 1 364.555 3.025 20 0 FGADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Oc1cccc(Br)c1 ZINC000459426300 501652043 /nfs/dbraw/zinc/65/20/43/501652043.db2.gz NTUPSBZHDNUNBC-ZDUSSCGKSA-N 2 1 353.304 3.433 20 0 FGADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442171 501654534 /nfs/dbraw/zinc/65/45/34/501654534.db2.gz WVGNTUXGVCZFPE-CTNGQTDRSA-N 2 1 358.913 3.355 20 0 FGADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cccc(Cl)c1 ZINC000459442171 501654538 /nfs/dbraw/zinc/65/45/38/501654538.db2.gz WVGNTUXGVCZFPE-CTNGQTDRSA-N 2 1 358.913 3.355 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000598993899 506266590 /nfs/dbraw/zinc/26/65/90/506266590.db2.gz DQKZMGLXMPIMFX-CQSZACIVSA-N 2 1 360.454 3.050 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000459678640 501697838 /nfs/dbraw/zinc/69/78/38/501697838.db2.gz RWQOOYXNWMQSDB-RTWAWAEBSA-N 2 1 357.542 3.244 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21)C1CC[NH+](C)CC1 ZINC000459693713 501699833 /nfs/dbraw/zinc/69/98/33/501699833.db2.gz ZUHNKSJIECJOFB-IRLDBZIGSA-N 2 1 369.553 3.218 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000459758726 501709974 /nfs/dbraw/zinc/70/99/74/501709974.db2.gz SNHPKWQWCWTCEZ-YUXAGFNASA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000459758726 501709976 /nfs/dbraw/zinc/70/99/76/501709976.db2.gz SNHPKWQWCWTCEZ-YUXAGFNASA-N 2 1 368.521 3.414 20 0 FGADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000457500243 501711715 /nfs/dbraw/zinc/71/17/15/501711715.db2.gz XHJXBWHNIDUNOL-IRXDYDNUSA-N 2 1 364.559 3.009 20 0 FGADMP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c2C)cc1 ZINC000459800679 501715645 /nfs/dbraw/zinc/71/56/45/501715645.db2.gz ZXODGXLDRKZLIM-IBGZPJMESA-N 2 1 370.541 3.378 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457538931 501718644 /nfs/dbraw/zinc/71/86/44/501718644.db2.gz XZYUEBWGOFMXJH-HXUWFJFHSA-N 2 1 360.546 3.153 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NC2CC([NH+]3CCCCC3)C2)C1 ZINC000474173303 501729792 /nfs/dbraw/zinc/72/97/92/501729792.db2.gz GAQPSSNATFZPNY-GUSVMJMASA-N 2 1 370.541 3.138 20 0 FGADMP CN(C)c1nc(N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000474172500 501730152 /nfs/dbraw/zinc/73/01/52/501730152.db2.gz QPNLLDHNKNIPBS-OAQYLSRUSA-N 2 1 351.498 3.035 20 0 FGADMP CN(C)c1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cc[nH+]1 ZINC000474172500 501730153 /nfs/dbraw/zinc/73/01/53/501730153.db2.gz QPNLLDHNKNIPBS-OAQYLSRUSA-N 2 1 351.498 3.035 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460124896 501732547 /nfs/dbraw/zinc/73/25/47/501732547.db2.gz NIBXTIFXCMGQHW-OAQYLSRUSA-N 2 1 371.569 3.479 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672188 501761894 /nfs/dbraw/zinc/76/18/94/501761894.db2.gz BRADVQRYFWJSGI-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672188 501761898 /nfs/dbraw/zinc/76/18/98/501761898.db2.gz BRADVQRYFWJSGI-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672188 501761900 /nfs/dbraw/zinc/76/19/00/501761900.db2.gz BRADVQRYFWJSGI-QUCCMNQESA-N 2 1 361.505 3.027 20 0 FGADMP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000467378232 501781218 /nfs/dbraw/zinc/78/12/18/501781218.db2.gz UJGXDGOBWAZJLG-CRAIPNDOSA-N 2 1 358.448 3.463 20 0 FGADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000467384279 501783106 /nfs/dbraw/zinc/78/31/06/501783106.db2.gz WMMPVMWJZJFWGV-JLLPCOHGSA-N 2 1 364.533 3.399 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322918 501789301 /nfs/dbraw/zinc/78/93/01/501789301.db2.gz HMJPXTNUZMUSJK-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322918 501789310 /nfs/dbraw/zinc/78/93/10/501789310.db2.gz HMJPXTNUZMUSJK-FXAWDEMLSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+](C)C1(CNC(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)CCCCCC1 ZINC000470747905 501790272 /nfs/dbraw/zinc/79/02/72/501790272.db2.gz UBVOXQFIECMIEC-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757935 501792728 /nfs/dbraw/zinc/79/27/28/501792728.db2.gz VYTCZLSGHHEZMY-PKTZIBPZSA-N 2 1 370.537 3.176 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000460359934 501803286 /nfs/dbraw/zinc/80/32/86/501803286.db2.gz PKGNKWGRZQTJEO-BEARUUAKSA-N 2 1 371.569 3.428 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000460359934 501803292 /nfs/dbraw/zinc/80/32/92/501803292.db2.gz PKGNKWGRZQTJEO-BEARUUAKSA-N 2 1 371.569 3.428 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1nc(C(F)(F)F)cs1 ZINC000467743217 501858574 /nfs/dbraw/zinc/85/85/74/501858574.db2.gz JDWSYIJTIQSPSK-NWDGAFQWSA-N 2 1 351.438 3.049 20 0 FGADMP CC[C@H](C[N@@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000481733833 501867660 /nfs/dbraw/zinc/86/76/60/501867660.db2.gz JNXPLWZNEWXIBZ-GOSISDBHSA-N 2 1 357.542 3.245 20 0 FGADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677630 501898641 /nfs/dbraw/zinc/89/86/41/501898641.db2.gz GFNBQKYECNNKIY-RHSMWYFYSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677630 501898644 /nfs/dbraw/zinc/89/86/44/501898644.db2.gz GFNBQKYECNNKIY-RHSMWYFYSA-N 2 1 367.921 3.339 20 0 FGADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(OC)c(Cl)c2)[C@H](C)C1 ZINC000485677630 501898647 /nfs/dbraw/zinc/89/86/47/501898647.db2.gz GFNBQKYECNNKIY-RHSMWYFYSA-N 2 1 367.921 3.339 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000474798372 501956281 /nfs/dbraw/zinc/95/62/81/501956281.db2.gz KPRKDQJALZGCHM-SELNLUPBSA-N 2 1 368.521 3.414 20 0 FGADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000474798372 501956283 /nfs/dbraw/zinc/95/62/83/501956283.db2.gz KPRKDQJALZGCHM-SELNLUPBSA-N 2 1 368.521 3.414 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CCC([NH+]3CCCC3)CC2)cc[nH+]1 ZINC000485863283 501966058 /nfs/dbraw/zinc/96/60/58/501966058.db2.gz NJVUOQLBLQCTRY-ICSRJNTNSA-N 2 1 373.545 3.157 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000478412568 501973950 /nfs/dbraw/zinc/97/39/50/501973950.db2.gz DHSNPPKJQDKBGP-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)Nc1ccc(F)cc1F ZINC000482156014 501992531 /nfs/dbraw/zinc/99/25/31/501992531.db2.gz HOLXGACCPQBFNN-RHSMWYFYSA-N 2 1 353.457 3.394 20 0 FGADMP C[NH+](C)CCN(Cc1ccccc1)C(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000471391444 502008809 /nfs/dbraw/zinc/00/88/09/502008809.db2.gz JXQHXMPIDLYNCK-UHFFFAOYSA-N 2 1 365.521 3.025 20 0 FGADMP CN(C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475018680 502022854 /nfs/dbraw/zinc/02/28/54/502022854.db2.gz RZBNMILXEVHMIG-LJQANCHMSA-N 2 1 372.557 3.212 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550644 502025637 /nfs/dbraw/zinc/02/56/37/502025637.db2.gz HEFGOVOWZRBZAD-YJBOKZPZSA-N 2 1 351.922 3.133 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000464550644 502025640 /nfs/dbraw/zinc/02/56/40/502025640.db2.gz HEFGOVOWZRBZAD-YJBOKZPZSA-N 2 1 351.922 3.133 20 0 FGADMP C[C@H](CC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)OCc1ccccc1 ZINC000475056909 502039171 /nfs/dbraw/zinc/03/91/71/502039171.db2.gz ONYMAMSSAOEHSC-IFMALSPDSA-N 2 1 359.558 3.084 20 0 FGADMP COC(=O)c1cccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000482456892 502074606 /nfs/dbraw/zinc/07/46/06/502074606.db2.gz TURYTTSLMXYPKW-UHFFFAOYSA-N 2 1 353.466 3.386 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000475137124 502075516 /nfs/dbraw/zinc/07/55/16/502075516.db2.gz JTANWJWATUOMAC-OAQYLSRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000478829292 502098737 /nfs/dbraw/zinc/09/87/37/502098737.db2.gz JLPOQQXRUJOWHL-WIYYLYMNSA-N 2 1 372.557 3.295 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000475291234 502121464 /nfs/dbraw/zinc/12/14/64/502121464.db2.gz NLAUDUMKUGOFLB-NRFANRHFSA-N 2 1 374.573 3.411 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)[C@@H](C)c2ccc(Cl)cc2)CC1 ZINC000464871587 502131600 /nfs/dbraw/zinc/13/16/00/502131600.db2.gz HOWKIUUXGYFRCP-HZPDHXFCSA-N 2 1 365.949 3.364 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCCC2=O)CC1 ZINC000582562548 506295647 /nfs/dbraw/zinc/29/56/47/506295647.db2.gz FKEBHJKRGVZEIY-UHFFFAOYSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@H]([NH2+]Cc1ccc([S@](C)=O)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000486557885 502190367 /nfs/dbraw/zinc/19/03/67/502190367.db2.gz AAUVKPMNHLEJIA-SZUKKWSHSA-N 2 1 356.535 3.424 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@H+]1Cc1ccccc1 ZINC000479207208 502192901 /nfs/dbraw/zinc/19/29/01/502192901.db2.gz IQYPZPDEMRRHKF-HBGVWJBISA-N 2 1 369.484 3.037 20 0 FGADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)c3csc(CC[NH3+])n3)c2C1 ZINC000479220392 502196716 /nfs/dbraw/zinc/19/67/16/502196716.db2.gz HKFYEKLTRXMIJN-UHFFFAOYSA-N 2 1 358.511 3.258 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000461791492 502203297 /nfs/dbraw/zinc/20/32/97/502203297.db2.gz NXSNHASTBNBNCU-VQTJNVASSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@H]1CCC[C@@H](N2CCC([NH2+]Cc3ccc(S(C)(=O)=O)s3)CC2)C1 ZINC000468859385 502209827 /nfs/dbraw/zinc/20/98/27/502209827.db2.gz DPAARHCMWDKJTQ-GOEBONIOSA-N 2 1 370.584 3.284 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443784 502262453 /nfs/dbraw/zinc/26/24/53/502262453.db2.gz ZVEZNFBWVYAENO-GHTZIAJQSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CCCO1 ZINC000479443784 502262458 /nfs/dbraw/zinc/26/24/58/502262458.db2.gz ZVEZNFBWVYAENO-GHTZIAJQSA-N 2 1 368.525 3.340 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479502589 502278295 /nfs/dbraw/zinc/27/82/95/502278295.db2.gz PQXKYSBNQDZEIN-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@H+](C)Cc1ccccc1 ZINC000462031021 502280125 /nfs/dbraw/zinc/28/01/25/502280125.db2.gz BWQLFLAWNOWBSV-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000462031021 502280130 /nfs/dbraw/zinc/28/01/30/502280130.db2.gz BWQLFLAWNOWBSV-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000462031021 502280134 /nfs/dbraw/zinc/28/01/34/502280134.db2.gz BWQLFLAWNOWBSV-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)[NH+](C)Cc1ccccc1 ZINC000462031021 502280138 /nfs/dbraw/zinc/28/01/38/502280138.db2.gz BWQLFLAWNOWBSV-FQEVSTJZSA-N 2 1 365.521 3.241 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)CC[NH+]1C ZINC000479537707 502289340 /nfs/dbraw/zinc/28/93/40/502289340.db2.gz OHAIULJYAAXFIP-NLWGTHIKSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000479537707 502289345 /nfs/dbraw/zinc/28/93/45/502289345.db2.gz OHAIULJYAAXFIP-NLWGTHIKSA-N 2 1 364.578 3.155 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)CC[N@H+]1C ZINC000479537707 502289350 /nfs/dbraw/zinc/28/93/50/502289350.db2.gz OHAIULJYAAXFIP-NLWGTHIKSA-N 2 1 364.578 3.155 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267297 502290829 /nfs/dbraw/zinc/29/08/29/502290829.db2.gz DVLJDWBDSLQVBC-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)cc2C)C1 ZINC000472267297 502290834 /nfs/dbraw/zinc/29/08/34/502290834.db2.gz DVLJDWBDSLQVBC-RTBURBONSA-N 2 1 361.530 3.063 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000472282651 502298251 /nfs/dbraw/zinc/29/82/51/502298251.db2.gz GOKJZDRPBZLPAD-LJQANCHMSA-N 2 1 361.461 3.413 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2coc(-c3cccc(F)c3)n2)C1 ZINC000472282651 502298255 /nfs/dbraw/zinc/29/82/55/502298255.db2.gz GOKJZDRPBZLPAD-LJQANCHMSA-N 2 1 361.461 3.413 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1CCCCC1 ZINC000465542214 502299406 /nfs/dbraw/zinc/29/94/06/502299406.db2.gz LDXRVKNGWYTEOE-IBGZPJMESA-N 2 1 352.567 3.014 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](C(CC)CC)[NH+]2CCCC2)C1 ZINC000465563012 502308100 /nfs/dbraw/zinc/30/81/00/502308100.db2.gz FKDGWVPIXKQMRA-ICSRJNTNSA-N 2 1 366.594 3.260 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000472331459 502319263 /nfs/dbraw/zinc/31/92/63/502319263.db2.gz XZMUXHUUDKFDKN-OAQYLSRUSA-N 2 1 372.557 3.026 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C/C=C/c3ccncc3)cc2)CC1 ZINC000486967067 502319371 /nfs/dbraw/zinc/31/93/71/502319371.db2.gz MLNWCRSAOPULHE-ONEGZZNKSA-N 2 1 350.510 3.022 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000465621434 502328032 /nfs/dbraw/zinc/32/80/32/502328032.db2.gz AIIKUWVZKCITNI-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000487006376 502329664 /nfs/dbraw/zinc/32/96/64/502329664.db2.gz NFRMUWDOEQPCRT-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000487006376 502329665 /nfs/dbraw/zinc/32/96/65/502329665.db2.gz NFRMUWDOEQPCRT-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCCC[C@@H]1CNC(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000487006376 502329666 /nfs/dbraw/zinc/32/96/66/502329666.db2.gz NFRMUWDOEQPCRT-HMXCVIKNSA-N 2 1 372.557 3.071 20 0 FGADMP COc1ccc([C@H](CNC(=O)C[N@H+]2CCCC2(C)C)[NH+]2CCCCC2)cc1 ZINC000479659422 502334250 /nfs/dbraw/zinc/33/42/50/502334250.db2.gz ALIXDDRXQZCFPB-FQEVSTJZSA-N 2 1 373.541 3.213 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000483282632 502338378 /nfs/dbraw/zinc/33/83/78/502338378.db2.gz QKSOLFQBHHZBTM-UHFFFAOYSA-N 2 1 371.978 3.318 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000465727646 502360716 /nfs/dbraw/zinc/36/07/16/502360716.db2.gz QYFHAQJVRVZQOQ-WSTZPKSXSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000469367180 502389443 /nfs/dbraw/zinc/38/94/43/502389443.db2.gz KDEMDXBXZUGKJU-OALUTQOASA-N 2 1 357.542 3.230 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H](C)C1 ZINC000483433405 502390904 /nfs/dbraw/zinc/39/09/04/502390904.db2.gz MSEZSIREMDLNAF-KYJSFNMBSA-N 2 1 366.347 3.348 20 0 FGADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493986 502410904 /nfs/dbraw/zinc/41/09/04/502410904.db2.gz SRRMCTMQSRPGLK-VXKWHMMOSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)n1 ZINC000483493986 502410906 /nfs/dbraw/zinc/41/09/06/502410906.db2.gz SRRMCTMQSRPGLK-VXKWHMMOSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000483493986 502410911 /nfs/dbraw/zinc/41/09/11/502410911.db2.gz SRRMCTMQSRPGLK-VXKWHMMOSA-N 2 1 352.526 3.486 20 0 FGADMP Cc1cc(C)n(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000483493986 502410915 /nfs/dbraw/zinc/41/09/15/502410915.db2.gz SRRMCTMQSRPGLK-VXKWHMMOSA-N 2 1 352.526 3.486 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](Cc2ccncc2)CC1 ZINC000479895655 502412030 /nfs/dbraw/zinc/41/20/30/502412030.db2.gz IPRKHCGRPUAABB-UHFFFAOYSA-N 2 1 352.413 3.100 20 0 FGADMP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000465878331 502412061 /nfs/dbraw/zinc/41/20/61/502412061.db2.gz SFGZNPMHBYGXHD-PMACEKPBSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)c2nccn21 ZINC000582589092 506311823 /nfs/dbraw/zinc/31/18/23/506311823.db2.gz DYJYCHURHXNAQZ-BLIXFSHQSA-N 2 1 367.497 3.243 20 0 FGADMP COc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000479938441 502424885 /nfs/dbraw/zinc/42/48/85/502424885.db2.gz GADHBOBCEGLGRO-HDICACEKSA-N 2 1 356.441 3.065 20 0 FGADMP COc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCc1ccc(F)cc1 ZINC000479938441 502424888 /nfs/dbraw/zinc/42/48/88/502424888.db2.gz GADHBOBCEGLGRO-HDICACEKSA-N 2 1 356.441 3.065 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730381 502426954 /nfs/dbraw/zinc/42/69/54/502426954.db2.gz BCSCPERPTYTBLW-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730381 502426957 /nfs/dbraw/zinc/42/69/57/502426957.db2.gz BCSCPERPTYTBLW-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730381 502426959 /nfs/dbraw/zinc/42/69/59/502426959.db2.gz BCSCPERPTYTBLW-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(C(F)(F)F)cc1 ZINC000472730381 502426961 /nfs/dbraw/zinc/42/69/61/502426961.db2.gz BCSCPERPTYTBLW-IRXDYDNUSA-N 2 1 374.447 3.251 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000465929282 502430813 /nfs/dbraw/zinc/43/08/13/502430813.db2.gz DUZMLTSHIIKTIV-GHTZIAJQSA-N 2 1 372.557 3.200 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2F)[C@@H](C)C1 ZINC000483617978 502444228 /nfs/dbraw/zinc/44/42/28/502444228.db2.gz SMMULFBDLJROEI-LNLFQRSKSA-N 2 1 352.494 3.320 20 0 FGADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000483698688 502467973 /nfs/dbraw/zinc/46/79/73/502467973.db2.gz PAABYPPERWTEFO-NRFANRHFSA-N 2 1 357.542 3.202 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000466084919 502474573 /nfs/dbraw/zinc/47/45/73/502474573.db2.gz LNACSDLPCDFPOY-AABGKKOBSA-N 2 1 364.578 3.013 20 0 FGADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000462527418 502475842 /nfs/dbraw/zinc/47/58/42/502475842.db2.gz RKNIZDIFIGXRKI-SFHLNBCPSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462527418 502475847 /nfs/dbraw/zinc/47/58/47/502475847.db2.gz RKNIZDIFIGXRKI-SFHLNBCPSA-N 2 1 374.573 3.410 20 0 FGADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000462527418 502475850 /nfs/dbraw/zinc/47/58/50/502475850.db2.gz RKNIZDIFIGXRKI-SFHLNBCPSA-N 2 1 374.573 3.410 20 0 FGADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000480196035 502497886 /nfs/dbraw/zinc/49/78/86/502497886.db2.gz WPQUGQGHVYPDJB-KRWDZBQOSA-N 2 1 369.575 3.098 20 0 FGADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000480196035 502497887 /nfs/dbraw/zinc/49/78/87/502497887.db2.gz WPQUGQGHVYPDJB-KRWDZBQOSA-N 2 1 369.575 3.098 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000473180594 502537555 /nfs/dbraw/zinc/53/75/55/502537555.db2.gz DHLTTWPKCFVSPP-LJQANCHMSA-N 2 1 352.567 3.016 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000462713233 502545198 /nfs/dbraw/zinc/54/51/98/502545198.db2.gz ZPHGNEBLGXMMNY-UXHICEINSA-N 2 1 366.594 3.260 20 0 FGADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000466358398 502546259 /nfs/dbraw/zinc/54/62/59/502546259.db2.gz BRICLKAIVOZPDJ-SSGKUCQKSA-N 2 1 372.553 3.462 20 0 FGADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)C2)cc1 ZINC000466358398 502546265 /nfs/dbraw/zinc/54/62/65/502546265.db2.gz BRICLKAIVOZPDJ-SSGKUCQKSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@H]1CN(C(=O)NCCC[NH+](C)C2CCCCC2)CC[N@H+](C2CCC2)C1 ZINC000487857354 502548113 /nfs/dbraw/zinc/54/81/13/502548113.db2.gz JTNNAVYBKJSOBT-GOSISDBHSA-N 2 1 364.578 3.157 20 0 FGADMP Cc1cc(Cl)cc(C)c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000469865750 502575285 /nfs/dbraw/zinc/57/52/85/502575285.db2.gz YZCIZYNBHKKHID-APWZRJJASA-N 2 1 363.933 3.037 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000484128130 502576802 /nfs/dbraw/zinc/57/68/02/502576802.db2.gz INHCWOBDOLMSGY-GCJKJVERSA-N 2 1 354.494 3.373 20 0 FGADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000484128130 502576806 /nfs/dbraw/zinc/57/68/06/502576806.db2.gz INHCWOBDOLMSGY-GCJKJVERSA-N 2 1 354.494 3.373 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000476762190 502580709 /nfs/dbraw/zinc/58/07/09/502580709.db2.gz MURFWNCJQFCKCA-VYDXJSESSA-N 2 1 351.560 3.414 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C[C@@H]3CCC(C)(C)O3)CC2)CC1 ZINC000480576162 502608751 /nfs/dbraw/zinc/60/87/51/502608751.db2.gz GCDGINREFALLGC-FQEVSTJZSA-N 2 1 351.579 3.072 20 0 FGADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000480576162 502608757 /nfs/dbraw/zinc/60/87/57/502608757.db2.gz GCDGINREFALLGC-FQEVSTJZSA-N 3 1 351.579 3.072 20 0 FGADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCC(C)(C)O1 ZINC000480576162 502608763 /nfs/dbraw/zinc/60/87/63/502608763.db2.gz GCDGINREFALLGC-FQEVSTJZSA-N 3 1 351.579 3.072 20 0 FGADMP Cc1nc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)cs1 ZINC000462885926 502614439 /nfs/dbraw/zinc/61/44/39/502614439.db2.gz WMYPLEPCJCTOLU-JXFKEZNVSA-N 2 1 358.555 3.481 20 0 FGADMP CCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000480600045 502616737 /nfs/dbraw/zinc/61/67/37/502616737.db2.gz HJBAYSZDQMAIQN-GCJKJVERSA-N 2 1 365.521 3.437 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cccc(NS(C)(=O)=O)c1 ZINC000480632141 502628667 /nfs/dbraw/zinc/62/86/67/502628667.db2.gz RINGXAQFOCGTPC-IAGOWNOFSA-N 2 1 367.559 3.221 20 0 FGADMP COc1cc(Br)c(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(OC)c1 ZINC000470008352 502629512 /nfs/dbraw/zinc/62/95/12/502629512.db2.gz HUZILLZFXDLPBQ-LLVKDONJSA-N 2 1 357.292 3.026 20 0 FGADMP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)C[NH+]1CCCCC1 ZINC000484374616 502634374 /nfs/dbraw/zinc/63/43/74/502634374.db2.gz REWGAKFWLLUJOT-SVFBPWRDSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCc2ccccc2C1 ZINC000480716645 502651373 /nfs/dbraw/zinc/65/13/73/502651373.db2.gz YODRUCXMSFORDZ-WIYYLYMNSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000480716645 502651378 /nfs/dbraw/zinc/65/13/78/502651378.db2.gz YODRUCXMSFORDZ-WIYYLYMNSA-N 2 1 369.553 3.204 20 0 FGADMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[N@H+]1CCc2ccccc2C1 ZINC000480716645 502651381 /nfs/dbraw/zinc/65/13/81/502651381.db2.gz YODRUCXMSFORDZ-WIYYLYMNSA-N 2 1 369.553 3.204 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000480739345 502658493 /nfs/dbraw/zinc/65/84/93/502658493.db2.gz MSVKXSJVVKABFK-CTNGQTDRSA-N 2 1 374.573 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000480739345 502658499 /nfs/dbraw/zinc/65/84/99/502658499.db2.gz MSVKXSJVVKABFK-CTNGQTDRSA-N 2 1 374.573 3.299 20 0 FGADMP CC1CC[NH+](CC(=O)N2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000477060795 502665600 /nfs/dbraw/zinc/66/56/00/502665600.db2.gz UUWGOZUERDOZNZ-UHFFFAOYSA-N 2 1 369.553 3.233 20 0 FGADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000463063908 502681220 /nfs/dbraw/zinc/68/12/20/502681220.db2.gz FUMIIVZXIJKYNJ-IBGZPJMESA-N 2 1 374.573 3.413 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]3C[NH+](C)C)c2c1C ZINC000477125064 502685105 /nfs/dbraw/zinc/68/51/05/502685105.db2.gz WGIPUILTWBPUHI-MRXNPFEDSA-N 2 1 373.570 3.434 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473736354 502691689 /nfs/dbraw/zinc/69/16/89/502691689.db2.gz AKROZPLHTNTGGY-OALUTQOASA-N 2 1 374.573 3.174 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000463093821 502692739 /nfs/dbraw/zinc/69/27/39/502692739.db2.gz PULNXQVYJRSRPG-UHFFFAOYSA-N 2 1 359.436 3.423 20 0 FGADMP C[C@@H](NC(=O)NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183989 502702251 /nfs/dbraw/zinc/70/22/51/502702251.db2.gz BMUCCOITPPDLEI-XLIONFOSSA-N 2 1 374.573 3.173 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000488422811 502711113 /nfs/dbraw/zinc/71/11/13/502711113.db2.gz WEUVZZNEXHHOHL-CQSZACIVSA-N 2 1 352.910 3.116 20 0 FGADMP CC[C@@H]1C[C@@H](C)C[NH+]1CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000466906924 502721486 /nfs/dbraw/zinc/72/14/86/502721486.db2.gz ADPIFYAHXYQWGP-WIYYLYMNSA-N 2 1 357.542 3.150 20 0 FGADMP CC[C@@H]1C[C@@H](C)C[NH+]1CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000466906924 502721491 /nfs/dbraw/zinc/72/14/91/502721491.db2.gz ADPIFYAHXYQWGP-WIYYLYMNSA-N 2 1 357.542 3.150 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(SCC(F)(F)F)cc1 ZINC000481027758 502732824 /nfs/dbraw/zinc/73/28/24/502732824.db2.gz VKFLDEICIWXRGJ-DZGCQCFKSA-N 2 1 362.461 3.448 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000463247002 502735351 /nfs/dbraw/zinc/73/53/51/502735351.db2.gz LURODVKIDVLWOE-YJMBLLCNSA-N 2 1 369.553 3.420 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000463247002 502735358 /nfs/dbraw/zinc/73/53/58/502735358.db2.gz LURODVKIDVLWOE-YJMBLLCNSA-N 2 1 369.553 3.420 20 0 FGADMP c1ccc2c(c1)CCC[C@@H]2OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000484788101 502739777 /nfs/dbraw/zinc/73/97/77/502739777.db2.gz ICTIZTVCPYYQPN-LRSLUSHPSA-N 2 1 358.526 3.217 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000488597470 502761893 /nfs/dbraw/zinc/76/18/93/502761893.db2.gz PEQHHWFSCWSIHG-GOSISDBHSA-N 2 1 352.567 3.014 20 0 FGADMP CC[N@@H+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000485044567 502808761 /nfs/dbraw/zinc/80/87/61/502808761.db2.gz VVKODCBJHZQRFY-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000485044567 502808764 /nfs/dbraw/zinc/80/87/64/502808764.db2.gz VVKODCBJHZQRFY-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP CC[NH+](Cc1ccccc1)[C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000485044567 502808768 /nfs/dbraw/zinc/80/87/68/502808768.db2.gz VVKODCBJHZQRFY-UGKGYDQZSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCCC[C@H]1C ZINC000500816106 502869665 /nfs/dbraw/zinc/86/96/65/502869665.db2.gz WWPBHHHVMJINHL-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000500877776 502884444 /nfs/dbraw/zinc/88/44/44/502884444.db2.gz XHVKPZGBYAYCGW-KDURUIRLSA-N 2 1 374.573 3.306 20 0 FGADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@@H](C)C1 ZINC000501049076 502922295 /nfs/dbraw/zinc/92/22/95/502922295.db2.gz SNYHABJVRWEEKG-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000501049076 502922298 /nfs/dbraw/zinc/92/22/98/502922298.db2.gz SNYHABJVRWEEKG-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000501049076 502922300 /nfs/dbraw/zinc/92/23/00/502922300.db2.gz SNYHABJVRWEEKG-RTBURBONSA-N 2 1 352.567 3.062 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501064873 502925753 /nfs/dbraw/zinc/92/57/53/502925753.db2.gz ZPVGXTLHSGAACT-INIZCTEOSA-N 2 1 370.472 3.396 20 0 FGADMP [NH3+][C@H](C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)c1ccccc1 ZINC000497330721 502933012 /nfs/dbraw/zinc/93/30/12/502933012.db2.gz CNJQCZDAUPJECD-JTHBVZDNSA-N 2 1 363.505 3.201 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCCN3Cc3ccc(F)cc3)C2)C1 ZINC000505602039 502946683 /nfs/dbraw/zinc/94/66/83/502946683.db2.gz JYTBGJPPUJEAEV-RBBKRZOGSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602039 502946687 /nfs/dbraw/zinc/94/66/87/502946687.db2.gz JYTBGJPPUJEAEV-RBBKRZOGSA-N 2 1 373.516 3.125 20 0 FGADMP C[N@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602039 502946692 /nfs/dbraw/zinc/94/66/92/502946692.db2.gz JYTBGJPPUJEAEV-RBBKRZOGSA-N 2 1 373.516 3.125 20 0 FGADMP C[NH+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[N@H+]3Cc3ccc(F)cc3)C2)C1 ZINC000505602039 502946699 /nfs/dbraw/zinc/94/66/99/502946699.db2.gz JYTBGJPPUJEAEV-RBBKRZOGSA-N 2 1 373.516 3.125 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[N@H+]1Cc1ccccc1 ZINC000513493904 502952632 /nfs/dbraw/zinc/95/26/32/502952632.db2.gz DLPZZRGLMZTVIQ-IEBWSBKVSA-N 2 1 368.525 3.107 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000497440480 502960958 /nfs/dbraw/zinc/96/09/58/502960958.db2.gz KVLIHLWYGWGEER-HKUYNNGSSA-N 2 1 360.546 3.289 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)no1 ZINC000513655145 502991906 /nfs/dbraw/zinc/99/19/06/502991906.db2.gz LKWUJWDCUDYCKY-VAMGGRTRSA-N 2 1 368.525 3.455 20 0 FGADMP CCCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)sc1C ZINC000505822916 502993435 /nfs/dbraw/zinc/99/34/35/502993435.db2.gz DMIWJFKHYPIYQJ-SFHVURJKSA-N 2 1 365.587 3.497 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000505852461 502999525 /nfs/dbraw/zinc/99/95/25/502999525.db2.gz VTEOGGBCCCDHHG-ZJVMWOEPSA-N 2 1 355.526 3.153 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2/C=C/c2ccccc2)CC1 ZINC000505852461 502999530 /nfs/dbraw/zinc/99/95/30/502999530.db2.gz VTEOGGBCCCDHHG-ZJVMWOEPSA-N 2 1 355.526 3.153 20 0 FGADMP C[N@@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)CC1CC[NH+](C)CC1 ZINC000513727928 503010910 /nfs/dbraw/zinc/01/09/10/503010910.db2.gz CJTAFRXQRBCWQL-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP C[N@H+](Cc1cn(-c2ccc(Cl)cc2Cl)nn1)CC1CC[NH+](C)CC1 ZINC000513727928 503010916 /nfs/dbraw/zinc/01/09/16/503010916.db2.gz CJTAFRXQRBCWQL-UHFFFAOYSA-N 2 1 368.312 3.348 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000501524359 503028316 /nfs/dbraw/zinc/02/83/16/503028316.db2.gz RCQQCZPGIWRHLJ-SFHVURJKSA-N 2 1 360.546 3.202 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000501547737 503034683 /nfs/dbraw/zinc/03/46/83/503034683.db2.gz CXBHGJUXJMSPAY-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP CC[NH+](CC)CC1CCN(C(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)CC1 ZINC000501550417 503035588 /nfs/dbraw/zinc/03/55/88/503035588.db2.gz KPQHIDYMQMMJFM-ZWKOTPCHSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C)C2(C)CCCC2)CC1 ZINC000489856648 503049308 /nfs/dbraw/zinc/04/93/08/503049308.db2.gz KNWRLGBRWAUYHT-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C)C2(C)CCCC2)CC1 ZINC000489856648 503049310 /nfs/dbraw/zinc/04/93/10/503049310.db2.gz KNWRLGBRWAUYHT-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C)C2(C)CCCC2)CC1 ZINC000489856648 503049311 /nfs/dbraw/zinc/04/93/11/503049311.db2.gz KNWRLGBRWAUYHT-UHFFFAOYSA-N 2 1 357.542 3.294 20 0 FGADMP CC[C@H](C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1ccccc1)[NH+](C)C ZINC000513922742 503049952 /nfs/dbraw/zinc/04/99/52/503049952.db2.gz VGXRBKQPOIYRES-BHDDXSALSA-N 2 1 365.521 3.111 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000501773845 503077638 /nfs/dbraw/zinc/07/76/38/503077638.db2.gz DYCKLMGJGKLTKE-AQNXPRMDSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000501773845 503077640 /nfs/dbraw/zinc/07/76/40/503077640.db2.gz DYCKLMGJGKLTKE-AQNXPRMDSA-N 2 1 366.594 3.166 20 0 FGADMP C[C@@H]1CCC[NH+](CCCCNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000501773845 503077642 /nfs/dbraw/zinc/07/76/42/503077642.db2.gz DYCKLMGJGKLTKE-AQNXPRMDSA-N 2 1 366.594 3.166 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489986536 503082871 /nfs/dbraw/zinc/08/28/71/503082871.db2.gz FJHGSOMKVKJNCY-JOCHJYFZSA-N 2 1 352.526 3.432 20 0 FGADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000489986536 503082873 /nfs/dbraw/zinc/08/28/73/503082873.db2.gz FJHGSOMKVKJNCY-JOCHJYFZSA-N 2 1 352.526 3.432 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+](C)C2CCCCC2)CC1 ZINC000514106952 503089900 /nfs/dbraw/zinc/08/99/00/503089900.db2.gz DLJOBYNOZNJPFU-UHFFFAOYSA-N 2 1 352.567 3.062 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000514118726 503092698 /nfs/dbraw/zinc/09/26/98/503092698.db2.gz MQAHKXVJLXMRKS-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@H]3CCC[N@H+](Cc4cccs4)C3)ccc21 ZINC000510333547 503094131 /nfs/dbraw/zinc/09/41/31/503094131.db2.gz YJEZAZWTSYJZNV-MRXNPFEDSA-N 2 1 371.506 3.195 20 0 FGADMP Cn1c(=O)oc2cc(C[NH2+]C[C@H]3CCC[N@@H+](Cc4cccs4)C3)ccc21 ZINC000510333547 503094135 /nfs/dbraw/zinc/09/41/35/503094135.db2.gz YJEZAZWTSYJZNV-MRXNPFEDSA-N 2 1 371.506 3.195 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510344550 503095845 /nfs/dbraw/zinc/09/58/45/503095845.db2.gz COARARJJRFQMCC-ICSRJNTNSA-N 2 1 370.541 3.092 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)N2CCCC23CC[NH+](C)CC3)C1 ZINC000510350291 503097111 /nfs/dbraw/zinc/09/71/11/503097111.db2.gz HYTOHNGJUADXHJ-HDICACEKSA-N 2 1 364.578 3.013 20 0 FGADMP COc1cc(N[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cc(OC)c1 ZINC000490067712 503103025 /nfs/dbraw/zinc/10/30/25/503103025.db2.gz PIHGZFBDOVNIPS-HKUYNNGSSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cc(OC)c1 ZINC000490067712 503103027 /nfs/dbraw/zinc/10/30/27/503103027.db2.gz PIHGZFBDOVNIPS-HKUYNNGSSA-N 2 1 361.530 3.455 20 0 FGADMP COc1cc(N[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cc(OC)c1 ZINC000490067712 503103030 /nfs/dbraw/zinc/10/30/30/503103030.db2.gz PIHGZFBDOVNIPS-HKUYNNGSSA-N 2 1 361.530 3.455 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510418176 503110198 /nfs/dbraw/zinc/11/01/98/503110198.db2.gz UGDIGYGEECDNSO-UHFFFAOYSA-N 2 1 353.445 3.355 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000510418176 503110203 /nfs/dbraw/zinc/11/02/03/503110203.db2.gz UGDIGYGEECDNSO-UHFFFAOYSA-N 2 1 353.445 3.355 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000514222110 503116522 /nfs/dbraw/zinc/11/65/22/503116522.db2.gz MFXKUXWRZUVGEZ-KYHPRHEASA-N 2 1 366.575 3.016 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[NH+](C)C)cc1 ZINC000514220106 503117069 /nfs/dbraw/zinc/11/70/69/503117069.db2.gz UWLHYURNDOOPCG-ZVDOUQERSA-N 2 1 374.573 3.265 20 0 FGADMP CC(C)(C)c1cccc(OCC[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1 ZINC000506453764 503117179 /nfs/dbraw/zinc/11/71/79/503117179.db2.gz IKDPZGCLXKDZGF-IBGZPJMESA-N 2 1 360.542 3.407 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000498254655 503143394 /nfs/dbraw/zinc/14/33/94/503143394.db2.gz VYQWRKGTMYPQFK-WERVVEIQSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000498254655 503143397 /nfs/dbraw/zinc/14/33/97/503143397.db2.gz VYQWRKGTMYPQFK-WERVVEIQSA-N 2 1 372.557 3.164 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@H]1C ZINC000498254655 503143399 /nfs/dbraw/zinc/14/33/99/503143399.db2.gz VYQWRKGTMYPQFK-WERVVEIQSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@H](NC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000498270599 503147871 /nfs/dbraw/zinc/14/78/71/503147871.db2.gz AQSOZFNSULSHOR-DZFGPLHGSA-N 2 1 372.557 3.242 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000506812342 503177206 /nfs/dbraw/zinc/17/72/06/503177206.db2.gz CIAXKBRZQFXYSV-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000506812342 503177209 /nfs/dbraw/zinc/17/72/09/503177209.db2.gz CIAXKBRZQFXYSV-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP CCCC[NH+](C)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506812342 503177212 /nfs/dbraw/zinc/17/72/12/503177212.db2.gz CIAXKBRZQFXYSV-RTBURBONSA-N 2 1 352.567 3.014 20 0 FGADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+](C)C ZINC000498403649 503179890 /nfs/dbraw/zinc/17/98/90/503179890.db2.gz WFCOHJSGRBPFAP-XKYVRNMRSA-N 2 1 372.557 3.301 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510741725 503183915 /nfs/dbraw/zinc/18/39/15/503183915.db2.gz PCALGJSEZURHBV-MOPGFXCFSA-N 2 1 369.553 3.096 20 0 FGADMP [NH3+]C[C@H]([NH2+][C@@H]1CCCC[C@@H](N2C(=O)c3ccccc3C2=O)C1)C1CCCC1 ZINC000514855035 503211083 /nfs/dbraw/zinc/21/10/83/503211083.db2.gz KAEANMASPPJDHA-HLIPFELVSA-N 2 1 369.509 3.091 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893291 503220764 /nfs/dbraw/zinc/22/07/64/503220764.db2.gz NOBNVICXPBMJGC-FYYLOGMGSA-N 2 1 350.506 3.284 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893291 503220767 /nfs/dbraw/zinc/22/07/67/503220767.db2.gz NOBNVICXPBMJGC-FYYLOGMGSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893291 503220770 /nfs/dbraw/zinc/22/07/70/503220770.db2.gz NOBNVICXPBMJGC-FYYLOGMGSA-N 2 1 350.506 3.284 20 0 FGADMP C[NH+](C[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1)C1CC1 ZINC000514893291 503220774 /nfs/dbraw/zinc/22/07/74/503220774.db2.gz NOBNVICXPBMJGC-FYYLOGMGSA-N 2 1 350.506 3.284 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000507090689 503228275 /nfs/dbraw/zinc/22/82/75/503228275.db2.gz VDLTYOKUNBODFZ-WOJBJXKFSA-N 2 1 360.546 3.061 20 0 FGADMP [NH3+]C1(c2noc(-c3cnn(-c4cc[nH+]cc4)c3C(F)F)n2)CCCCC1 ZINC000514932565 503229807 /nfs/dbraw/zinc/22/98/07/503229807.db2.gz MCJVWJJGJBKNSA-UHFFFAOYSA-N 2 1 360.368 3.373 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000514933072 503231074 /nfs/dbraw/zinc/23/10/74/503231074.db2.gz NOBXCCPFKUGFFA-CTNGQTDRSA-N 2 1 357.498 3.016 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000502667213 503247801 /nfs/dbraw/zinc/24/78/01/503247801.db2.gz LFISUMMYPUKGEJ-UHFFFAOYSA-N 2 1 352.548 3.362 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000502667213 503247804 /nfs/dbraw/zinc/24/78/04/503247804.db2.gz LFISUMMYPUKGEJ-UHFFFAOYSA-N 2 1 352.548 3.362 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056033 503267409 /nfs/dbraw/zinc/26/74/09/503267409.db2.gz BBJLKJDDQMBRPT-VXKWHMMOSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1ccc([C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c2ccccc2)cc1 ZINC000491056033 503267413 /nfs/dbraw/zinc/26/74/13/503267413.db2.gz BBJLKJDDQMBRPT-VXKWHMMOSA-N 2 1 365.521 3.261 20 0 FGADMP Cc1ccc(COc2ccc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)cc2)cc1 ZINC000491137086 503278587 /nfs/dbraw/zinc/27/85/87/503278587.db2.gz PQPNVZFHUSHJOI-JOCHJYFZSA-N 2 1 365.521 3.054 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898588 503286881 /nfs/dbraw/zinc/28/68/81/503286881.db2.gz COQQLIMUEWPXCF-TYPHKJRUSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898588 503286884 /nfs/dbraw/zinc/28/68/84/503286884.db2.gz COQQLIMUEWPXCF-TYPHKJRUSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000498898588 503286887 /nfs/dbraw/zinc/28/68/87/503286887.db2.gz COQQLIMUEWPXCF-TYPHKJRUSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000502863657 503292349 /nfs/dbraw/zinc/29/23/49/503292349.db2.gz XWWDAPBLYVGIBQ-IBGZPJMESA-N 2 1 364.578 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000502874156 503294942 /nfs/dbraw/zinc/29/49/42/503294942.db2.gz DTXXMXPMKNRBKM-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000502874156 503294945 /nfs/dbraw/zinc/29/49/45/503294945.db2.gz DTXXMXPMKNRBKM-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000502874156 503294947 /nfs/dbraw/zinc/29/49/47/503294947.db2.gz DTXXMXPMKNRBKM-RBUKOAKNSA-N 2 1 352.567 3.205 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000491308478 503295412 /nfs/dbraw/zinc/29/54/12/503295412.db2.gz IANXDRMDOGQWRJ-FPOVZHCZSA-N 2 1 355.530 3.317 20 0 FGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000507464381 503303413 /nfs/dbraw/zinc/30/34/13/503303413.db2.gz XJSUNZIUIIRRQA-NJDAHSKKSA-N 2 1 350.510 3.302 20 0 FGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000515301584 503309800 /nfs/dbraw/zinc/30/98/00/503309800.db2.gz NFTTVHACOBNNCQ-NHCUHLMSSA-N 2 1 351.494 3.022 20 0 FGADMP CN(C(=O)[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000515301584 503309802 /nfs/dbraw/zinc/30/98/02/503309802.db2.gz NFTTVHACOBNNCQ-NHCUHLMSSA-N 2 1 351.494 3.022 20 0 FGADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCCOC[C@H]3CCCO3)CC23CC3)cc1 ZINC000515300566 503309841 /nfs/dbraw/zinc/30/98/41/503309841.db2.gz JFXHYWSEIKIIGE-NHCUHLMSSA-N 2 1 358.526 3.359 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCCOC[C@H]3CCCO3)CC23CC3)cc1 ZINC000515300566 503309843 /nfs/dbraw/zinc/30/98/43/503309843.db2.gz JFXHYWSEIKIIGE-NHCUHLMSSA-N 2 1 358.526 3.359 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)c2)C1 ZINC000507521985 503315183 /nfs/dbraw/zinc/31/51/83/503315183.db2.gz CKORTKHGYSMHGI-FSSWDIPSSA-N 2 1 369.553 3.442 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000515347926 503320960 /nfs/dbraw/zinc/32/09/60/503320960.db2.gz QRAQGTWCRBSTPM-YLJYHZDGSA-N 2 1 374.550 3.441 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](C/C=C\c3ccc(F)c(F)c3)CC2)CC1 ZINC000515505405 503353947 /nfs/dbraw/zinc/35/39/47/503353947.db2.gz WLXKZPHOFPLDQP-ARJAWSKDSA-N 2 1 363.496 3.468 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)cc1 ZINC000511695580 503371864 /nfs/dbraw/zinc/37/18/64/503371864.db2.gz OCCWGVPHJPCJKS-AWEZNQCLSA-N 2 1 362.433 3.362 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CN(c3ccccn3)C[C@H]2C)C1 ZINC000511771221 503384156 /nfs/dbraw/zinc/38/41/56/503384156.db2.gz KQKLCQCAJWJBKJ-GUDVDZBRSA-N 2 1 372.557 3.171 20 0 FGADMP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H]3CCCC3(C)C)CC2)cc1 ZINC000492887363 503391286 /nfs/dbraw/zinc/39/12/86/503391286.db2.gz HFKMGWHHHRBZBD-FQEVSTJZSA-N 2 1 357.542 3.198 20 0 FGADMP O=[S@@](CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccccc1 ZINC000503373569 503397147 /nfs/dbraw/zinc/39/71/47/503397147.db2.gz ILHNYFSOPLDGKN-NSYGIPOTSA-N 2 1 357.523 3.207 20 0 FGADMP C[C@@H]1CCC[C@@H](C[NH2+]Cc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000507948907 503402589 /nfs/dbraw/zinc/40/25/89/503402589.db2.gz DYDRIHFUHCTMDD-OPYAIIAOSA-N 2 1 357.542 3.300 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000511921439 503416786 /nfs/dbraw/zinc/41/67/86/503416786.db2.gz GUNXHDDRHJONMW-AQNXPRMDSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000511921439 503416789 /nfs/dbraw/zinc/41/67/89/503416789.db2.gz GUNXHDDRHJONMW-AQNXPRMDSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000511921439 503416794 /nfs/dbraw/zinc/41/67/94/503416794.db2.gz GUNXHDDRHJONMW-AQNXPRMDSA-N 2 1 364.578 3.157 20 0 FGADMP c1nc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n(-c2ccccc2)n1 ZINC000499573295 503435184 /nfs/dbraw/zinc/43/51/84/503435184.db2.gz JSTKQOHZDGMXAA-UHFFFAOYSA-N 2 1 353.514 3.355 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000512046114 503442350 /nfs/dbraw/zinc/44/23/50/503442350.db2.gz QMRDHKXXWFUGSA-UHFFFAOYSA-N 2 1 353.466 3.262 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2nc(-c3ccncc3)cs2)s1 ZINC000512056802 503445987 /nfs/dbraw/zinc/44/59/87/503445987.db2.gz HTPLMOXBOHOAFF-UHFFFAOYSA-N 2 1 373.551 3.446 20 0 FGADMP Cc1cc(C[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)n(-c2ccccc2)n1 ZINC000512082988 503453588 /nfs/dbraw/zinc/45/35/88/503453588.db2.gz NNXNVAPLTJVQEK-HNNXBMFYSA-N 2 1 369.538 3.420 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000493997545 503472198 /nfs/dbraw/zinc/47/21/98/503472198.db2.gz ADCCYHNPEJXDDB-JRGCBEDISA-N 2 1 351.494 3.069 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000493997545 503472205 /nfs/dbraw/zinc/47/22/05/503472205.db2.gz ADCCYHNPEJXDDB-JRGCBEDISA-N 2 1 351.494 3.069 20 0 FGADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1c[nH]c2cccc(Br)c12 ZINC000516441928 503512564 /nfs/dbraw/zinc/51/25/64/503512564.db2.gz HGTAHUJECYYYJL-SWLSCSKDSA-N 2 1 350.304 3.403 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000499938115 503515158 /nfs/dbraw/zinc/51/51/58/503515158.db2.gz XPHNXXMFSCLPFV-UHFFFAOYSA-N 2 1 352.906 3.462 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1cc(Cl)c2c(c1)OCCCO2 ZINC000499938115 503515162 /nfs/dbraw/zinc/51/51/62/503515162.db2.gz XPHNXXMFSCLPFV-UHFFFAOYSA-N 2 1 352.906 3.462 20 0 FGADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000512350694 503526383 /nfs/dbraw/zinc/52/63/83/503526383.db2.gz TWDKOJWAIWDZAQ-DYESRHJHSA-N 2 1 354.494 3.070 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562183 503537132 /nfs/dbraw/zinc/53/71/32/503537132.db2.gz DCVVQSCPJKSAEY-CRINZODVSA-N 3 1 368.569 3.035 20 0 FGADMP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516562183 503537134 /nfs/dbraw/zinc/53/71/34/503537134.db2.gz DCVVQSCPJKSAEY-CRINZODVSA-N 3 1 368.569 3.035 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000508693735 503544206 /nfs/dbraw/zinc/54/42/06/503544206.db2.gz BJQXSLDCWAVDJZ-DENIHFKCSA-N 2 1 365.521 3.225 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000500103701 503554748 /nfs/dbraw/zinc/55/47/48/503554748.db2.gz TVVAGYZLDZZTSY-NRSPTQNISA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000500103701 503554751 /nfs/dbraw/zinc/55/47/51/503554751.db2.gz TVVAGYZLDZZTSY-NRSPTQNISA-N 2 1 357.542 3.278 20 0 FGADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])cc1Br ZINC000516649659 503560790 /nfs/dbraw/zinc/56/07/90/503560790.db2.gz YJYNUSWXFQMGGQ-PBHICJAKSA-N 2 1 368.319 3.357 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683460 503567931 /nfs/dbraw/zinc/56/79/31/503567931.db2.gz JHDCUKZYSAIJLO-OTWHNJEPSA-N 2 1 366.594 3.115 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683460 503567936 /nfs/dbraw/zinc/56/79/36/503567936.db2.gz JHDCUKZYSAIJLO-OTWHNJEPSA-N 2 1 366.594 3.115 20 0 FGADMP CC(C)[N@H+](C)CC1CCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000516683460 503567939 /nfs/dbraw/zinc/56/79/39/503567939.db2.gz JHDCUKZYSAIJLO-OTWHNJEPSA-N 2 1 366.594 3.115 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000508860220 503581016 /nfs/dbraw/zinc/58/10/16/503581016.db2.gz DGXRKUQQKOHUSR-DYXWJJEUSA-N 2 1 374.573 3.360 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512578286 503589052 /nfs/dbraw/zinc/58/90/52/503589052.db2.gz POJKTSWPOBQMFQ-HDAAZOAOSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578286 503589055 /nfs/dbraw/zinc/58/90/55/503589055.db2.gz POJKTSWPOBQMFQ-HDAAZOAOSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578286 503589057 /nfs/dbraw/zinc/58/90/57/503589057.db2.gz POJKTSWPOBQMFQ-HDAAZOAOSA-N 2 1 357.542 3.276 20 0 FGADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)[NH+](C)C ZINC000508923805 503601454 /nfs/dbraw/zinc/60/14/54/503601454.db2.gz OLEOIPZWUMHFKC-YHELAOLJSA-N 2 1 372.557 3.112 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cnc(C4CCCCC4)s3)C2)nn1 ZINC000517093002 503665593 /nfs/dbraw/zinc/66/55/93/503665593.db2.gz NTXRKFBGYYCXAF-MRXNPFEDSA-N 2 1 360.531 3.078 20 0 FGADMP Cc1ccc(C[N@@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000532953200 503672874 /nfs/dbraw/zinc/67/28/74/503672874.db2.gz URWBFSSIHYKPJV-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[N@H+](C)[C@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)s1 ZINC000532953200 503672884 /nfs/dbraw/zinc/67/28/84/503672884.db2.gz URWBFSSIHYKPJV-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000532953200 503672892 /nfs/dbraw/zinc/67/28/92/503672892.db2.gz URWBFSSIHYKPJV-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP Cc1ccc(C[NH+](C)[C@H](C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000532953200 503672900 /nfs/dbraw/zinc/67/29/00/503672900.db2.gz URWBFSSIHYKPJV-MJGOQNOKSA-N 2 1 371.550 3.268 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C\c1ccccc1F ZINC000495117933 503674108 /nfs/dbraw/zinc/67/41/08/503674108.db2.gz GTADMUMFTPUELV-KWEPMOPPSA-N 2 1 361.505 3.104 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000529717434 503676278 /nfs/dbraw/zinc/67/62/78/503676278.db2.gz GNCQHDWOBIUZNI-NRFANRHFSA-N 2 1 355.526 3.419 20 0 FGADMP CC[N@@H+](CCC1CC1)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000546227774 503678672 /nfs/dbraw/zinc/67/86/72/503678672.db2.gz OXSCMWUAOPWSEL-SFHVURJKSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](Cc1ccccc1F)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000527099073 503679102 /nfs/dbraw/zinc/67/91/02/503679102.db2.gz ZUAHLYOTMPOUHJ-VQIMIIECSA-N 2 1 361.530 3.397 20 0 FGADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000529804387 503708237 /nfs/dbraw/zinc/70/82/37/503708237.db2.gz ONGOGJAQMXGBQP-SESVDKBCSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000529804387 503708239 /nfs/dbraw/zinc/70/82/39/503708239.db2.gz ONGOGJAQMXGBQP-SESVDKBCSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000529804387 503708241 /nfs/dbraw/zinc/70/82/41/503708241.db2.gz ONGOGJAQMXGBQP-SESVDKBCSA-N 2 1 357.542 3.086 20 0 FGADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(OC(F)F)cc3)CC2)CC1 ZINC000533078343 503724443 /nfs/dbraw/zinc/72/44/43/503724443.db2.gz FZCJYRGGDPCRCP-UHFFFAOYSA-N 2 1 367.484 3.278 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC000540379348 503752997 /nfs/dbraw/zinc/75/29/97/503752997.db2.gz HFPMMFQENIJEHO-NSHDSACASA-N 2 1 366.259 3.076 20 0 FGADMP C[C@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1nccn1C ZINC000540394220 503757618 /nfs/dbraw/zinc/75/76/18/503757618.db2.gz JMUGMLJJFUJQQX-OTWHNJEPSA-N 2 1 370.541 3.280 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)CC(C)C ZINC000536925999 503762696 /nfs/dbraw/zinc/76/26/96/503762696.db2.gz SNXWXVPWQPEGLV-UHFFFAOYSA-N 2 1 351.579 3.325 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC2CC[NH+](C(C)(C)C)CC2)C1 ZINC000517543705 503766731 /nfs/dbraw/zinc/76/67/31/503766731.db2.gz ZLBUZDUJYAIFEF-XLIONFOSSA-N 2 1 372.557 3.384 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000543432204 503767703 /nfs/dbraw/zinc/76/77/03/503767703.db2.gz HRZWWWNXYQUMLJ-IBGZPJMESA-N 2 1 359.558 3.320 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517590923 503780527 /nfs/dbraw/zinc/78/05/27/503780527.db2.gz DMHGELNVRCBKAS-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000540504447 503796217 /nfs/dbraw/zinc/79/62/17/503796217.db2.gz FUYRPEAYDPEPRQ-KNQAVFIVSA-N 2 1 359.558 3.179 20 0 FGADMP CC(C)COc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000540504447 503796220 /nfs/dbraw/zinc/79/62/20/503796220.db2.gz FUYRPEAYDPEPRQ-KNQAVFIVSA-N 2 1 359.558 3.179 20 0 FGADMP C[C@@H]1CCc2c(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)csc2C1 ZINC000517731514 503819927 /nfs/dbraw/zinc/81/99/27/503819927.db2.gz GNNDQEKMEAUBFE-CQSZACIVSA-N 2 1 370.522 3.272 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)NCC2=CC[NH+](C)CC2)c1 ZINC000540585483 503824431 /nfs/dbraw/zinc/82/44/31/503824431.db2.gz IKLFCDJGOFNOAL-UHFFFAOYSA-N 2 1 372.557 3.370 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000540585483 503824437 /nfs/dbraw/zinc/82/44/37/503824437.db2.gz IKLFCDJGOFNOAL-UHFFFAOYSA-N 2 1 372.557 3.370 20 0 FGADMP CCCC[NH+](CC)Cc1cccc(CNC(=O)NCC2=CC[N@@H+](C)CC2)c1 ZINC000540585483 503824443 /nfs/dbraw/zinc/82/44/43/503824443.db2.gz IKLFCDJGOFNOAL-UHFFFAOYSA-N 2 1 372.557 3.370 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc3cc[nH]c3c2)c2cccs2)CC1 ZINC000527629759 503867189 /nfs/dbraw/zinc/86/71/89/503867189.db2.gz QJOPJVJJMNDABI-LJQANCHMSA-N 2 1 354.523 3.308 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)C1 ZINC000527656715 503879603 /nfs/dbraw/zinc/87/96/03/503879603.db2.gz JDTYGKSQMZKDRT-NSHDSACASA-N 2 1 369.332 3.332 20 0 FGADMP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530216372 503881003 /nfs/dbraw/zinc/88/10/03/503881003.db2.gz BCHYSEIFMNUOLF-DOMZBBRYSA-N 2 1 355.404 3.297 20 0 FGADMP CC[C@@H](C)c1ccc(NC(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530237023 503886953 /nfs/dbraw/zinc/88/69/53/503886953.db2.gz BDLSJGYODWLAID-UTKZUKDTSA-N 2 1 373.541 3.229 20 0 FGADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC[N@H+]1C ZINC000527669866 503887214 /nfs/dbraw/zinc/88/72/14/503887214.db2.gz ZRLIEYBRHCYYDT-CMPLNLGQSA-N 2 1 369.332 3.473 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc(C(F)(F)F)c1 ZINC000527676606 503891347 /nfs/dbraw/zinc/89/13/47/503891347.db2.gz UEDMCNSWCCIYLI-ZWKOTPCHSA-N 2 1 372.431 3.181 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)CC[N@@H+]1Cc1ccccc1 ZINC000527806537 503952987 /nfs/dbraw/zinc/95/29/87/503952987.db2.gz JHUJQFQYIMRUEW-SFGWALBWSA-N 2 1 363.505 3.456 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)CC[N@H+]1Cc1ccccc1 ZINC000527806537 503952992 /nfs/dbraw/zinc/95/29/92/503952992.db2.gz JHUJQFQYIMRUEW-SFGWALBWSA-N 2 1 363.505 3.456 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@H]3C2)cc1 ZINC000540976267 503962173 /nfs/dbraw/zinc/96/21/73/503962173.db2.gz HFHBWMCCZUWKJE-CMOCDZPBSA-N 2 1 358.526 3.072 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000541053354 503987745 /nfs/dbraw/zinc/98/77/45/503987745.db2.gz DZZIRFNXGLZWBC-MRXNPFEDSA-N 2 1 352.276 3.057 20 0 FGADMP C[C@H](CNC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000518438957 503985087 /nfs/dbraw/zinc/98/50/87/503985087.db2.gz SCBXNVRNLBNFKU-CEXWTWQISA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000518438957 503985097 /nfs/dbraw/zinc/98/50/97/503985097.db2.gz SCBXNVRNLBNFKU-CEXWTWQISA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000518438957 503985101 /nfs/dbraw/zinc/98/51/01/503985101.db2.gz SCBXNVRNLBNFKU-CEXWTWQISA-N 2 1 360.546 3.069 20 0 FGADMP C[NH+](C)CC[C@@H]([NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046389 503985599 /nfs/dbraw/zinc/98/55/99/503985599.db2.gz VDECMTZAMUEDKW-JKSUJKDBSA-N 2 1 373.463 3.058 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000537694959 504008493 /nfs/dbraw/zinc/00/84/93/504008493.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000537694959 504008496 /nfs/dbraw/zinc/00/84/96/504008496.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000537694959 504008499 /nfs/dbraw/zinc/00/84/99/504008499.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 3 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000537694959 504008501 /nfs/dbraw/zinc/00/85/01/504008501.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 2 1 370.585 3.135 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)CC1 ZINC000537694959 504008509 /nfs/dbraw/zinc/00/85/09/504008509.db2.gz XUOZUZIRJDIRSW-UNMCSNQZSA-N 2 1 370.585 3.135 20 0 FGADMP COCCOc1ccc([C@H](C)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1OC ZINC000528015425 504040689 /nfs/dbraw/zinc/04/06/89/504040689.db2.gz XKJOPUAIBMJHRA-LPHOPBHVSA-N 2 1 362.514 3.388 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2cc(Cl)ccc2OC)C1 ZINC000541216288 504046133 /nfs/dbraw/zinc/04/61/33/504046133.db2.gz KUZNNNMSWMQICX-LSDHHAIUSA-N 2 1 367.921 3.387 20 0 FGADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281083 504047083 /nfs/dbraw/zinc/04/70/83/504047083.db2.gz XISDDCADLZRXJS-BZSNNMDCSA-N 2 1 356.432 3.388 20 0 FGADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H]2c2ccc(C(F)(F)F)cc2)C1 ZINC000547281083 504047088 /nfs/dbraw/zinc/04/70/88/504047088.db2.gz XISDDCADLZRXJS-BZSNNMDCSA-N 2 1 356.432 3.388 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[NH+]3CCC(C)(C)C3)C2)s1 ZINC000518794748 504066316 /nfs/dbraw/zinc/06/63/16/504066316.db2.gz NWQLJIDJARSCHG-QGZVFWFLSA-N 2 1 363.571 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)s1 ZINC000518794748 504066317 /nfs/dbraw/zinc/06/63/17/504066317.db2.gz NWQLJIDJARSCHG-QGZVFWFLSA-N 2 1 363.571 3.069 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@H+]3CCC(C)(C)C3)C2)s1 ZINC000518794748 504066322 /nfs/dbraw/zinc/06/63/22/504066322.db2.gz NWQLJIDJARSCHG-QGZVFWFLSA-N 2 1 363.571 3.069 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000537963109 504097183 /nfs/dbraw/zinc/09/71/83/504097183.db2.gz ZATUDMDDWNQHHQ-LESCRADOSA-N 2 1 358.448 3.176 20 0 FGADMP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000544361404 504102334 /nfs/dbraw/zinc/10/23/34/504102334.db2.gz RGOCSVNAPZAZOH-IERDGZPVSA-N 2 1 374.479 3.065 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(O)Cc2ccccc2C1 ZINC000530856572 504109403 /nfs/dbraw/zinc/10/94/03/504109403.db2.gz QSJCPVWZBSACBN-UHFFFAOYSA-N 2 1 352.522 3.264 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021660 504117147 /nfs/dbraw/zinc/11/71/47/504117147.db2.gz UIBCDEWFCNCQDI-LNCBFAARSA-N 2 1 369.431 3.129 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 ZINC000538021660 504117153 /nfs/dbraw/zinc/11/71/53/504117153.db2.gz UIBCDEWFCNCQDI-LNCBFAARSA-N 2 1 369.431 3.129 20 0 FGADMP Cc1cc(C)cc(C[NH+]2CCC(OCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000538043478 504122763 /nfs/dbraw/zinc/12/27/63/504122763.db2.gz RWYQQGHSNHXKEM-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP Cc1cc(C)cc(C[NH+]2CCC(OCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000538043478 504122768 /nfs/dbraw/zinc/12/27/68/504122768.db2.gz RWYQQGHSNHXKEM-BGYRXZFFSA-N 2 1 360.542 3.394 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@]12CCCO2 ZINC000547507890 504130608 /nfs/dbraw/zinc/13/06/08/504130608.db2.gz DJWPEVCTUVGVFM-WHCFWRGISA-N 2 1 358.526 3.213 20 0 FGADMP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541474490 504142883 /nfs/dbraw/zinc/14/28/83/504142883.db2.gz BZRNXGCAQQWZSN-GOSISDBHSA-N 2 1 360.546 3.341 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000541474490 504142887 /nfs/dbraw/zinc/14/28/87/504142887.db2.gz BZRNXGCAQQWZSN-GOSISDBHSA-N 2 1 360.546 3.341 20 0 FGADMP CN(C(=O)NCC1(C[NH+](C)C)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000544818060 504269459 /nfs/dbraw/zinc/26/94/59/504269459.db2.gz ZMFDRVCUTMLBEF-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1cc(Cl)ccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000541849262 504276049 /nfs/dbraw/zinc/27/60/49/504276049.db2.gz JQTGACHGNMDATJ-UHFFFAOYSA-N 2 1 374.872 3.138 20 0 FGADMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)Cc2ccccc2C1 ZINC000541882363 504289624 /nfs/dbraw/zinc/28/96/24/504289624.db2.gz FJDIKBQFZBVDGR-RJGXRXQPSA-N 2 1 362.517 3.017 20 0 FGADMP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534967446 504296295 /nfs/dbraw/zinc/29/62/95/504296295.db2.gz XKAUNLUDOLEZMB-FQEVSTJZSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000531496980 504327768 /nfs/dbraw/zinc/32/77/68/504327768.db2.gz UTVWXGWJFGVPDI-YSSFQJQWSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000531496980 504327772 /nfs/dbraw/zinc/32/77/72/504327772.db2.gz UTVWXGWJFGVPDI-YSSFQJQWSA-N 2 1 367.497 3.168 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000531552383 504343722 /nfs/dbraw/zinc/34/37/22/504343722.db2.gz NSPWYEPWCFOAFX-AVYPCKFXSA-N 2 1 367.497 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000531552383 504343726 /nfs/dbraw/zinc/34/37/26/504343726.db2.gz NSPWYEPWCFOAFX-AVYPCKFXSA-N 2 1 367.497 3.024 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nn(C(C)(C)C)c2C)C1 ZINC000538749762 504357685 /nfs/dbraw/zinc/35/76/85/504357685.db2.gz DZPIECCMMWHAKV-GOSISDBHSA-N 2 1 350.551 3.188 20 0 FGADMP CC1=CC[N@@H+](CCNC(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000545158782 504378321 /nfs/dbraw/zinc/37/83/21/504378321.db2.gz MXPCNSXKPPANQM-LJQANCHMSA-N 2 1 370.541 3.163 20 0 FGADMP COC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000542156120 504384688 /nfs/dbraw/zinc/38/46/88/504384688.db2.gz XETVOTXMSSWJKG-HXUWFJFHSA-N 2 1 374.525 3.182 20 0 FGADMP COC(=O)COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1 ZINC000542156120 504384695 /nfs/dbraw/zinc/38/46/95/504384695.db2.gz XETVOTXMSSWJKG-HXUWFJFHSA-N 2 1 374.525 3.182 20 0 FGADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)[NH+](C)C ZINC000531709078 504399519 /nfs/dbraw/zinc/39/95/19/504399519.db2.gz DYDIOEPCKZQGPK-QZTJIDSGSA-N 2 1 351.922 3.151 20 0 FGADMP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000545246263 504414147 /nfs/dbraw/zinc/41/41/47/504414147.db2.gz JCKUMTBZDRIYCI-ROUUACIJSA-N 2 1 371.525 3.305 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000539057775 504459997 /nfs/dbraw/zinc/45/99/97/504459997.db2.gz DCAWLJADMYTXBS-DEICHXMPSA-N 2 1 358.448 3.175 20 0 FGADMP O=C1C[C@@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)CN1c1ccccc1Cl ZINC000539079311 504465510 /nfs/dbraw/zinc/46/55/10/504465510.db2.gz FKJXZZPQSUUYAT-MRXNPFEDSA-N 2 1 361.917 3.442 20 0 FGADMP CCOCCC[N@H+]1CC[C@H](NCc2cccc(NC(=O)CC)c2)[C@@H](C)C1 ZINC000531936864 504481005 /nfs/dbraw/zinc/48/10/05/504481005.db2.gz ITBCEWSRIWZVON-PXNSSMCTSA-N 2 1 361.530 3.262 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)CC)c2)[C@@H](C)C1 ZINC000531936864 504481011 /nfs/dbraw/zinc/48/10/11/504481011.db2.gz ITBCEWSRIWZVON-PXNSSMCTSA-N 2 1 361.530 3.262 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCSCC1 ZINC000548633589 504503389 /nfs/dbraw/zinc/50/33/89/504503389.db2.gz XQBDFIRLKHLURR-NVXWUHKLSA-N 2 1 353.601 3.158 20 0 FGADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000520577842 504532249 /nfs/dbraw/zinc/53/22/49/504532249.db2.gz DGIGSUVQOGEJMY-IRXDYDNUSA-N 2 1 360.546 3.376 20 0 FGADMP c1cnc(N2CCC([NH2+]C[C@H]3CCC[N@H+]3CC3CCCCC3)CC2)cn1 ZINC000532227820 504580131 /nfs/dbraw/zinc/58/01/31/504580131.db2.gz XTAITARBCLFBCI-HXUWFJFHSA-N 2 1 357.546 3.080 20 0 FGADMP CC(C)C[C@H](CNC(=O)NCC1=CC[N@@H+](C)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000539485312 504585721 /nfs/dbraw/zinc/58/57/21/504585721.db2.gz FRZFGUREXTYFOL-GHTZIAJQSA-N 2 1 372.557 3.313 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000542786191 504610808 /nfs/dbraw/zinc/61/08/08/504610808.db2.gz IAJALVCHLTZWCU-RTBURBONSA-N 2 1 366.509 3.029 20 0 FGADMP Cc1ccc(CCCCC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000520949222 504614146 /nfs/dbraw/zinc/61/41/46/504614146.db2.gz MCUJWUXIMUMJND-UHFFFAOYSA-N 2 1 366.509 3.493 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529289245 504621582 /nfs/dbraw/zinc/62/15/82/504621582.db2.gz NVIWYBSDQLIULX-PXNSSMCTSA-N 2 1 370.541 3.145 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000521061073 504640827 /nfs/dbraw/zinc/64/08/27/504640827.db2.gz XCOGTOYFFWSSCH-RBUKOAKNSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCCC[NH+]1CCCC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000521061073 504640831 /nfs/dbraw/zinc/64/08/31/504640831.db2.gz XCOGTOYFFWSSCH-RBUKOAKNSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061073 504640834 /nfs/dbraw/zinc/64/08/34/504640834.db2.gz XCOGTOYFFWSSCH-RBUKOAKNSA-N 2 1 357.542 3.204 20 0 FGADMP C[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000521061073 504640838 /nfs/dbraw/zinc/64/08/38/504640838.db2.gz XCOGTOYFFWSSCH-RBUKOAKNSA-N 2 1 357.542 3.204 20 0 FGADMP C[NH+](C)[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1cccc(Cl)c1 ZINC000521071598 504643464 /nfs/dbraw/zinc/64/34/64/504643464.db2.gz WLMVKOMTQITTBI-LJQANCHMSA-N 2 1 363.933 3.420 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000539742295 504671799 /nfs/dbraw/zinc/67/17/99/504671799.db2.gz WXRLNMHDZCRUHW-DYESRHJHSA-N 2 1 366.509 3.159 20 0 FGADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000539742295 504671805 /nfs/dbraw/zinc/67/18/05/504671805.db2.gz WXRLNMHDZCRUHW-DYESRHJHSA-N 2 1 366.509 3.159 20 0 FGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000532537969 504687426 /nfs/dbraw/zinc/68/74/26/504687426.db2.gz BSCFASFBZDBMCL-UTKZUKDTSA-N 2 1 351.494 3.139 20 0 FGADMP C[C@H](c1cccc2ccccc21)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000532537969 504687430 /nfs/dbraw/zinc/68/74/30/504687430.db2.gz BSCFASFBZDBMCL-UTKZUKDTSA-N 2 1 351.494 3.139 20 0 FGADMP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc(C(F)(F)F)c1 ZINC000529523364 504711570 /nfs/dbraw/zinc/71/15/70/504711570.db2.gz PHYNAQIAIHERQS-UHFFFAOYSA-N 2 1 372.431 3.258 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850662 504716526 /nfs/dbraw/zinc/71/65/26/504716526.db2.gz LKQADLBNCFEPNG-IBGZPJMESA-N 2 1 374.525 3.019 20 0 FGADMP COC(=O)COc1c(C)cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1C ZINC000539850662 504716530 /nfs/dbraw/zinc/71/65/30/504716530.db2.gz LKQADLBNCFEPNG-IBGZPJMESA-N 2 1 374.525 3.019 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1C ZINC000539850662 504716533 /nfs/dbraw/zinc/71/65/33/504716533.db2.gz LKQADLBNCFEPNG-IBGZPJMESA-N 2 1 374.525 3.019 20 0 FGADMP COC(=O)COc1c(C)cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1C ZINC000539850662 504716539 /nfs/dbraw/zinc/71/65/39/504716539.db2.gz LKQADLBNCFEPNG-IBGZPJMESA-N 2 1 374.525 3.019 20 0 FGADMP CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428620 504734824 /nfs/dbraw/zinc/73/48/24/504734824.db2.gz KRXYWTWHJDWLIW-KRWDZBQOSA-N 2 1 356.518 3.167 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428620 504734826 /nfs/dbraw/zinc/73/48/26/504734826.db2.gz KRXYWTWHJDWLIW-KRWDZBQOSA-N 2 1 356.518 3.167 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000521428620 504734827 /nfs/dbraw/zinc/73/48/27/504734827.db2.gz KRXYWTWHJDWLIW-KRWDZBQOSA-N 2 1 356.518 3.167 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000532696954 504737995 /nfs/dbraw/zinc/73/79/95/504737995.db2.gz ULUWTGVBHNOUCN-HXUWFJFHSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000532696954 504737998 /nfs/dbraw/zinc/73/79/98/504737998.db2.gz ULUWTGVBHNOUCN-HXUWFJFHSA-N 2 1 366.594 3.259 20 0 FGADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000532696954 504738000 /nfs/dbraw/zinc/73/80/00/504738000.db2.gz ULUWTGVBHNOUCN-HXUWFJFHSA-N 2 1 366.594 3.259 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000532737704 504748684 /nfs/dbraw/zinc/74/86/84/504748684.db2.gz NMPRVKARPHOUCR-APWZRJJASA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000532737704 504748687 /nfs/dbraw/zinc/74/86/87/504748687.db2.gz NMPRVKARPHOUCR-APWZRJJASA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000532737704 504748690 /nfs/dbraw/zinc/74/86/90/504748690.db2.gz NMPRVKARPHOUCR-APWZRJJASA-N 2 1 354.498 3.081 20 0 FGADMP O=c1[nH]c2ccccc2n1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000532737704 504748693 /nfs/dbraw/zinc/74/86/93/504748693.db2.gz NMPRVKARPHOUCR-APWZRJJASA-N 2 1 354.498 3.081 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@@H](C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000562287210 504773147 /nfs/dbraw/zinc/77/31/47/504773147.db2.gz WODMHFZNUNFGCB-LPHOPBHVSA-N 2 1 368.481 3.109 20 0 FGADMP Cc1ccnc(C)c1NC(=O)N[C@@H](C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000562287210 504773149 /nfs/dbraw/zinc/77/31/49/504773149.db2.gz WODMHFZNUNFGCB-LPHOPBHVSA-N 2 1 368.481 3.109 20 0 FGADMP COc1ccccc1[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)[NH+]1CCCCC1 ZINC000553020928 504806644 /nfs/dbraw/zinc/80/66/44/504806644.db2.gz CBLKOYIKGSYXLH-LJQANCHMSA-N 2 1 373.541 3.070 20 0 FGADMP CC[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+](C)Cc1ccccc1 ZINC000559271993 504816201 /nfs/dbraw/zinc/81/62/01/504816201.db2.gz SSJZSGLTQXIWSW-OAQYLSRUSA-N 2 1 353.510 3.275 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]1n1cccn1 ZINC000556270132 504832604 /nfs/dbraw/zinc/83/26/04/504832604.db2.gz ZVYIWHXRMUDYMG-KHSAKVFQSA-N 2 1 368.525 3.102 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccc(C(C)(C)C)n1 ZINC000549526628 504842158 /nfs/dbraw/zinc/84/21/58/504842158.db2.gz DRMNBGUJFMZZOJ-UHFFFAOYSA-N 2 1 373.589 3.407 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000556478138 504884444 /nfs/dbraw/zinc/88/44/44/504884444.db2.gz VZGIAWJWUXBOBI-HXUWFJFHSA-N 2 1 362.477 3.365 20 0 FGADMP CC[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000549737521 504885171 /nfs/dbraw/zinc/88/51/71/504885171.db2.gz LCEIKDPSBWBFTQ-ZWKOTPCHSA-N 2 1 359.539 3.378 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000549766124 504891964 /nfs/dbraw/zinc/89/19/64/504891964.db2.gz GOVUXKHSQJQBEO-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000549766124 504891969 /nfs/dbraw/zinc/89/19/69/504891969.db2.gz GOVUXKHSQJQBEO-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000549766124 504891975 /nfs/dbraw/zinc/89/19/75/504891975.db2.gz GOVUXKHSQJQBEO-WOJBJXKFSA-N 2 1 357.542 3.374 20 0 FGADMP COc1cccc([C@H]2[C@@H](c3ccccc3)CC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481331 504900793 /nfs/dbraw/zinc/90/07/93/504900793.db2.gz UKRWKQQSIWLPHR-PKTZIBPZSA-N 2 1 365.521 3.131 20 0 FGADMP COc1cccc([C@@H]2[C@@H](c3ccccc3)CC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000565481329 504900872 /nfs/dbraw/zinc/90/08/72/504900872.db2.gz UKRWKQQSIWLPHR-DHIUTWEWSA-N 2 1 365.521 3.131 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000559754010 504923324 /nfs/dbraw/zinc/92/33/24/504923324.db2.gz SRFVCNXDBALDCF-QZTJIDSGSA-N 2 1 355.448 3.438 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C[C@@H]1c1ccccc1 ZINC000559754010 504923328 /nfs/dbraw/zinc/92/33/28/504923328.db2.gz SRFVCNXDBALDCF-QZTJIDSGSA-N 2 1 355.448 3.438 20 0 FGADMP Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000565594567 504932826 /nfs/dbraw/zinc/93/28/26/504932826.db2.gz XNKPAJLREAWCAN-JTHBVZDNSA-N 2 1 368.521 3.146 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)c1ccccc1 ZINC000553528551 504941731 /nfs/dbraw/zinc/94/17/31/504941731.db2.gz QVNZDCXNFSFEMH-NQIIRXRSSA-N 2 1 357.542 3.402 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C1 ZINC000565654867 504950585 /nfs/dbraw/zinc/95/05/85/504950585.db2.gz NRAQBNHLTVMXGZ-KJXAQDMKSA-N 2 1 374.569 3.399 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000562810540 504954693 /nfs/dbraw/zinc/95/46/93/504954693.db2.gz JVHDELMKTBNCIV-FQEVSTJZSA-N 2 1 363.465 3.323 20 0 FGADMP CC[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccco1)[N@@H+](C)Cc1ccccc1 ZINC000550130621 504973658 /nfs/dbraw/zinc/97/36/58/504973658.db2.gz CCHMMVNVJNIOEE-FQEVSTJZSA-N 2 1 357.498 3.080 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H]2CC=CCC2)CC1 ZINC000562894467 504979014 /nfs/dbraw/zinc/97/90/14/504979014.db2.gz PJCXLHXSDNEYQM-HXUWFJFHSA-N 2 1 369.553 3.364 20 0 FGADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238089 504998333 /nfs/dbraw/zinc/99/83/33/504998333.db2.gz QHGNAHQMUDJHDU-GOSISDBHSA-N 2 1 369.431 3.452 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238089 504998338 /nfs/dbraw/zinc/99/83/38/504998338.db2.gz QHGNAHQMUDJHDU-GOSISDBHSA-N 2 1 369.431 3.452 20 0 FGADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(C(F)(F)F)c3)C2)C1 ZINC000550238089 504998343 /nfs/dbraw/zinc/99/83/43/504998343.db2.gz QHGNAHQMUDJHDU-GOSISDBHSA-N 2 1 369.431 3.452 20 0 FGADMP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000557036128 505049459 /nfs/dbraw/zinc/04/94/59/505049459.db2.gz ZNGCVSKTFOYMNY-RDJZCZTQSA-N 2 1 356.514 3.107 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccccc1 ZINC000553976856 505058029 /nfs/dbraw/zinc/05/80/29/505058029.db2.gz GSYXDERYZLQDGF-DYESRHJHSA-N 2 1 351.494 3.377 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615102 505074226 /nfs/dbraw/zinc/07/42/26/505074226.db2.gz DTRXCQAPYBHGJE-VXKWHMMOSA-N 2 1 361.493 3.252 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cncn2)C[C@H]1c1ccccc1 ZINC000550615102 505074232 /nfs/dbraw/zinc/07/42/32/505074232.db2.gz DTRXCQAPYBHGJE-VXKWHMMOSA-N 2 1 361.493 3.252 20 0 FGADMP COC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(Cl)c1F ZINC000554073612 505081455 /nfs/dbraw/zinc/08/14/55/505081455.db2.gz YZBYPYDVHJBZGE-SFHVURJKSA-N 2 1 371.928 3.030 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000550665290 505082383 /nfs/dbraw/zinc/08/23/83/505082383.db2.gz HDTCCWUGZRNDPK-XLIONFOSSA-N 2 1 371.912 3.495 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccccc2Cl)C[C@H]1c1ccccc1 ZINC000550665290 505082387 /nfs/dbraw/zinc/08/23/87/505082387.db2.gz HDTCCWUGZRNDPK-XLIONFOSSA-N 2 1 371.912 3.495 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1cccs1 ZINC000550665141 505082496 /nfs/dbraw/zinc/08/24/96/505082496.db2.gz DVPQKVSIINVRHI-KDOFPFPSSA-N 2 1 354.479 3.209 20 0 FGADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(C(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128614 505099830 /nfs/dbraw/zinc/09/98/30/505099830.db2.gz OYHXXIJSBCIVBQ-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128614 505099831 /nfs/dbraw/zinc/09/98/31/505099831.db2.gz OYHXXIJSBCIVBQ-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H]1C[C@@H]1[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C[C@@H](C)C1 ZINC000554128614 505099834 /nfs/dbraw/zinc/09/98/34/505099834.db2.gz OYHXXIJSBCIVBQ-MXNKGDRCSA-N 2 1 369.553 3.230 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@@H](CC(C)(C)C)[NH2+]C ZINC000566181574 505106182 /nfs/dbraw/zinc/10/61/82/505106182.db2.gz PAVNGGVLQWQMMN-WOJBJXKFSA-N 2 1 359.558 3.381 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 ZINC000550860266 505115256 /nfs/dbraw/zinc/11/52/56/505115256.db2.gz HULDJXDRHAUBLP-JXFKEZNVSA-N 2 1 361.505 3.342 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000554217590 505118887 /nfs/dbraw/zinc/11/88/87/505118887.db2.gz DVZIYEQSZRUZKY-QFIPXVFZSA-N 2 1 372.557 3.026 20 0 FGADMP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCC[N@H+]1CCCC[C@@H]1C)c1ccco1 ZINC000554252186 505125615 /nfs/dbraw/zinc/12/56/15/505125615.db2.gz GXNGDLMZCCGBQT-BZSNNMDCSA-N 2 1 364.534 3.273 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H](c1nccn1C)C(F)(F)F ZINC000557534619 505160394 /nfs/dbraw/zinc/16/03/94/505160394.db2.gz MLMKOLAYFNXUAK-CABCVRRESA-N 2 1 374.451 3.227 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H]3C[C@H]3C3CCCCC3)CC2)CC1 ZINC000557627986 505186188 /nfs/dbraw/zinc/18/61/88/505186188.db2.gz NPGZNSUJMSEQOB-LEWJYISDSA-N 2 1 361.574 3.268 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H](n2cncn2)C1 ZINC000551268109 505189629 /nfs/dbraw/zinc/18/96/29/505189629.db2.gz ZTLFIICZGKVRHE-UIFIKXQLSA-N 2 1 353.514 3.046 20 0 FGADMP C[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H](n2cncn2)C1 ZINC000551268109 505189634 /nfs/dbraw/zinc/18/96/34/505189634.db2.gz ZTLFIICZGKVRHE-UIFIKXQLSA-N 2 1 353.514 3.046 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O)C(C)C ZINC000551313766 505199181 /nfs/dbraw/zinc/19/91/81/505199181.db2.gz QJGNQAHDTWZKGB-HNNXBMFYSA-N 2 1 372.351 3.098 20 0 FGADMP CC(C)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccc(F)cn1 ZINC000563771782 505233916 /nfs/dbraw/zinc/23/39/16/505233916.db2.gz YOXQEMACGPOKHZ-HXUWFJFHSA-N 2 1 360.477 3.433 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)C1 ZINC000557812175 505236138 /nfs/dbraw/zinc/23/61/38/505236138.db2.gz NEWZPNJSDXZUNU-IZZBFERCSA-N 2 1 370.541 3.090 20 0 FGADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2nnc4n2CCCC4)CC3)cc1 ZINC000551597691 505264736 /nfs/dbraw/zinc/26/47/36/505264736.db2.gz UHIBOEURYAMJMB-UHFFFAOYSA-N 2 1 365.525 3.103 20 0 FGADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2nnc4n2CCCC4)CC3)cc1 ZINC000551597691 505264739 /nfs/dbraw/zinc/26/47/39/505264739.db2.gz UHIBOEURYAMJMB-UHFFFAOYSA-N 2 1 365.525 3.103 20 0 FGADMP NC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cc1 ZINC000563936793 505281051 /nfs/dbraw/zinc/28/10/51/505281051.db2.gz LHJCRDSUQARYOA-YPAWHYETSA-N 2 1 363.505 3.318 20 0 FGADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279259 505301622 /nfs/dbraw/zinc/30/16/22/505301622.db2.gz NANSNWHYMWPCKG-OALUTQOASA-N 2 1 368.525 3.150 20 0 FGADMP CCN1CC[NH+](Cc2ccc(NC(=O)c3ccc([C@@H](C)[NH3+])cc3)cc2)CC1 ZINC000564080296 505320325 /nfs/dbraw/zinc/32/03/25/505320325.db2.gz CFGAAOFGZIRWRW-QGZVFWFLSA-N 2 1 366.509 3.096 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(CC(C)C)s1 ZINC000561395218 505334917 /nfs/dbraw/zinc/33/49/17/505334917.db2.gz JXOFVYDJQADPJZ-KRWDZBQOSA-N 2 1 352.592 3.190 20 0 FGADMP CCc1nn(C)c(OC)c1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567048015 505348338 /nfs/dbraw/zinc/34/83/38/505348338.db2.gz HBTQWSODJAUUJC-GOSISDBHSA-N 2 1 368.525 3.278 20 0 FGADMP CCc1nn(C)c(OC)c1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000567048015 505348341 /nfs/dbraw/zinc/34/83/41/505348341.db2.gz HBTQWSODJAUUJC-GOSISDBHSA-N 2 1 368.525 3.278 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000567107883 505365305 /nfs/dbraw/zinc/36/53/05/505365305.db2.gz WJMAGRJCSKKDOR-UGKGYDQZSA-N 2 1 369.553 3.340 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533889 505370974 /nfs/dbraw/zinc/37/09/74/505370974.db2.gz GXUBXQGUXMVTRB-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533889 505370977 /nfs/dbraw/zinc/37/09/77/505370977.db2.gz GXUBXQGUXMVTRB-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[NH+](CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1)C(C)C ZINC000561533889 505370982 /nfs/dbraw/zinc/37/09/82/505370982.db2.gz GXUBXQGUXMVTRB-JOCHJYFZSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@@H]1C[C@H](C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CCO1 ZINC000567147729 505377069 /nfs/dbraw/zinc/37/70/69/505377069.db2.gz YPMGXXYPLAVZOH-DNVJHFABSA-N 2 1 371.569 3.084 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c(OC[C@@H]2CCOC2)c1 ZINC000552046300 505381123 /nfs/dbraw/zinc/38/11/23/505381123.db2.gz CNHQZIWMXPLLQJ-CWJKEVGVSA-N 2 1 358.526 3.373 20 0 FGADMP c1cn2c(n1)C[C@H]([NH2+][C@H]1CCCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]31)CC2 ZINC000552065581 505388944 /nfs/dbraw/zinc/38/89/44/505388944.db2.gz FXGXCSFLLRWHOF-LRSLUSHPSA-N 2 1 364.537 3.478 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564570865 505456799 /nfs/dbraw/zinc/45/67/99/505456799.db2.gz OIXRPKNNICOSRM-FQEVSTJZSA-N 2 1 360.452 3.343 20 0 FGADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000564570865 505456804 /nfs/dbraw/zinc/45/68/04/505456804.db2.gz OIXRPKNNICOSRM-FQEVSTJZSA-N 2 1 360.452 3.343 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccc2c(c1)CCC(C)(C)O2)C1CC[NH+](C)CC1 ZINC000561976467 505483205 /nfs/dbraw/zinc/48/32/05/505483205.db2.gz HMZVMMFEGLDLEG-UHFFFAOYSA-N 2 1 359.558 3.248 20 0 FGADMP CCCC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000558763525 505486210 /nfs/dbraw/zinc/48/62/10/505486210.db2.gz ZMQDWRCLWVUKPI-UHFFFAOYSA-N 2 1 357.542 3.340 20 0 FGADMP C[NH+](C)C[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1ccc(F)cc1 ZINC000562055793 505504773 /nfs/dbraw/zinc/50/47/73/505504773.db2.gz LBWGYINVFBDGAN-NRFANRHFSA-N 2 1 356.489 3.078 20 0 FGADMP Cc1cc(C(C)(C)C)ccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000564793070 505522083 /nfs/dbraw/zinc/52/20/83/505522083.db2.gz GEIRESNIVJEHBA-PXNSSMCTSA-N 2 1 360.542 3.106 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642373 505522697 /nfs/dbraw/zinc/52/26/97/505522697.db2.gz QPJUXBVJCADJQV-HVETUWLQSA-N 2 1 351.494 3.142 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(CN[C@H]3C[C@@H]([NH3+])c4ccccc43)c2)CCO1 ZINC000567642373 505522700 /nfs/dbraw/zinc/52/27/00/505522700.db2.gz QPJUXBVJCADJQV-HVETUWLQSA-N 2 1 351.494 3.142 20 0 FGADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1sccc1Br ZINC000564828042 505531145 /nfs/dbraw/zinc/53/11/45/505531145.db2.gz PORDBHMAPXMAJI-IYXRBSQSSA-N 2 1 372.376 3.378 20 0 FGADMP CCC[N@@H+](C)[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671112 505530782 /nfs/dbraw/zinc/53/07/82/505530782.db2.gz LUFYETKRURJIBS-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671112 505530785 /nfs/dbraw/zinc/53/07/85/505530785.db2.gz LUFYETKRURJIBS-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671112 505530787 /nfs/dbraw/zinc/53/07/87/505530787.db2.gz LUFYETKRURJIBS-OALUTQOASA-N 2 1 363.933 3.466 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552686559 505535806 /nfs/dbraw/zinc/53/58/06/505535806.db2.gz BIMFEQHSQFHYAF-PKOBYXMFSA-N 2 1 369.912 3.463 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552686559 505535810 /nfs/dbraw/zinc/53/58/10/505535810.db2.gz BIMFEQHSQFHYAF-PKOBYXMFSA-N 2 1 369.912 3.463 20 0 FGADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000567713034 505545895 /nfs/dbraw/zinc/54/58/95/505545895.db2.gz BSGHNNRTGJWBTL-MRXNPFEDSA-N 2 1 362.493 3.103 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000567731123 505551881 /nfs/dbraw/zinc/55/18/81/505551881.db2.gz CRZQUJBKABELLU-ZCNNSNEGSA-N 2 1 373.541 3.113 20 0 FGADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000567731123 505551883 /nfs/dbraw/zinc/55/18/83/505551883.db2.gz CRZQUJBKABELLU-ZCNNSNEGSA-N 2 1 373.541 3.113 20 0 FGADMP COc1cncc(/C=C/CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000564901055 505554052 /nfs/dbraw/zinc/55/40/52/505554052.db2.gz ZBZZHSVQBFCXFO-MWAUBTQZSA-N 2 1 373.541 3.315 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000564973406 505564625 /nfs/dbraw/zinc/56/46/25/505564625.db2.gz IECMVJPZNYLSQW-LJQANCHMSA-N 2 1 368.525 3.183 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)c1ccccc1 ZINC000599292603 506399722 /nfs/dbraw/zinc/39/97/22/506399722.db2.gz PDPIKHNKHCAZRD-MOPGFXCFSA-N 2 1 359.901 3.362 20 0 FGADMP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@H+]1C1CC1)c1ccc2ccccc2c1 ZINC000582894732 506477182 /nfs/dbraw/zinc/47/71/82/506477182.db2.gz LZEUQJRQEYDIIA-RTWAWAEBSA-N 2 1 366.509 3.156 20 0 FGADMP Brc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517258 506540543 /nfs/dbraw/zinc/54/05/43/506540543.db2.gz LGSSWDGARQIYRK-QGZVFWFLSA-N 2 1 353.304 3.182 20 0 FGADMP CCC(CC)(CNC(=O)N[C@@H]1CCC[N@@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000603593418 506569339 /nfs/dbraw/zinc/56/93/39/506569339.db2.gz GYSMHZCPCJAWJU-PKOBYXMFSA-N 2 1 360.546 3.289 20 0 FGADMP Cc1nc(CC(C)C)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000589907488 506676478 /nfs/dbraw/zinc/67/64/78/506676478.db2.gz QRQQWWALFTXERM-UHFFFAOYSA-N 2 1 373.526 3.049 20 0 FGADMP C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000583264272 506684906 /nfs/dbraw/zinc/68/49/06/506684906.db2.gz HCXDXBZPMPSFPJ-JLSDUUJJSA-N 2 1 367.896 3.120 20 0 FGADMP COC(=O)c1ccc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000597053362 506752635 /nfs/dbraw/zinc/75/26/35/506752635.db2.gz IXUYLUREVNTAPT-LJQANCHMSA-N 2 1 370.468 3.267 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cc1F ZINC000597053362 506752640 /nfs/dbraw/zinc/75/26/40/506752640.db2.gz IXUYLUREVNTAPT-LJQANCHMSA-N 2 1 370.468 3.267 20 0 FGADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1F ZINC000597053362 506752644 /nfs/dbraw/zinc/75/26/44/506752644.db2.gz IXUYLUREVNTAPT-LJQANCHMSA-N 2 1 370.468 3.267 20 0 FGADMP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cs1 ZINC000609133506 506786146 /nfs/dbraw/zinc/78/61/46/506786146.db2.gz PCBAVQHGHCGXDB-UHFFFAOYSA-N 2 1 367.559 3.189 20 0 FGADMP CC(C)OC(=O)Cc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000609133506 506786152 /nfs/dbraw/zinc/78/61/52/506786152.db2.gz PCBAVQHGHCGXDB-UHFFFAOYSA-N 2 1 367.559 3.189 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000590819043 506979653 /nfs/dbraw/zinc/97/96/53/506979653.db2.gz VCMSAYYREIKYGS-FYYLOGMGSA-N 2 1 374.569 3.494 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127513 507126227 /nfs/dbraw/zinc/12/62/27/507126227.db2.gz BVFCBLIDWNRAST-APWZRJJASA-N 2 1 363.571 3.121 20 0 FGADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCc2sccc2C1)[NH+]1CCCCC1 ZINC000591127513 507126231 /nfs/dbraw/zinc/12/62/31/507126231.db2.gz BVFCBLIDWNRAST-APWZRJJASA-N 2 1 363.571 3.121 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584053915 507127094 /nfs/dbraw/zinc/12/70/94/507127094.db2.gz PQQOGRYUAVQRJT-DDFXLWFNSA-N 2 1 356.297 3.380 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000584053915 507127100 /nfs/dbraw/zinc/12/71/00/507127100.db2.gz PQQOGRYUAVQRJT-DDFXLWFNSA-N 2 1 356.297 3.380 20 0 FGADMP C[C@H](CNC(=O)NCC(C)(C)[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000600831933 507141696 /nfs/dbraw/zinc/14/16/96/507141696.db2.gz KMFRXCDNQHYQHJ-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP COC(=O)c1cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000594616635 507215718 /nfs/dbraw/zinc/21/57/18/507215718.db2.gz VIURXCFYDXONCV-GOSISDBHSA-N 2 1 356.466 3.376 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000594616635 507215722 /nfs/dbraw/zinc/21/57/22/507215722.db2.gz VIURXCFYDXONCV-GOSISDBHSA-N 2 1 356.466 3.376 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000594616635 507215725 /nfs/dbraw/zinc/21/57/25/507215725.db2.gz VIURXCFYDXONCV-GOSISDBHSA-N 2 1 356.466 3.376 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C ZINC000591423167 507244846 /nfs/dbraw/zinc/24/48/46/507244846.db2.gz GHFKXJSOSZHQDC-RBUKOAKNSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C ZINC000591423167 507244851 /nfs/dbraw/zinc/24/48/51/507244851.db2.gz GHFKXJSOSZHQDC-RBUKOAKNSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C ZINC000591423167 507244860 /nfs/dbraw/zinc/24/48/60/507244860.db2.gz GHFKXJSOSZHQDC-RBUKOAKNSA-N 2 1 373.541 3.154 20 0 FGADMP CCCn1c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc2ccccc21 ZINC000584279380 507254267 /nfs/dbraw/zinc/25/42/67/507254267.db2.gz AIYQFKQYGRGEAL-LAUBAEHRSA-N 2 1 356.514 3.165 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000591538418 507281803 /nfs/dbraw/zinc/28/18/03/507281803.db2.gz RDRNEMBBZHUVOM-FPOVZHCZSA-N 2 1 372.557 3.243 20 0 FGADMP CC1(C)CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000591546320 507286890 /nfs/dbraw/zinc/28/68/90/507286890.db2.gz COTHVOAWCJEACG-UHFFFAOYSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C ZINC000605959894 507312643 /nfs/dbraw/zinc/31/26/43/507312643.db2.gz BIVSGRWWPUUECI-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000605959894 507312652 /nfs/dbraw/zinc/31/26/52/507312652.db2.gz BIVSGRWWPUUECI-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000605959894 507312658 /nfs/dbraw/zinc/31/26/58/507312658.db2.gz BIVSGRWWPUUECI-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000605959894 507312662 /nfs/dbraw/zinc/31/26/62/507312662.db2.gz BIVSGRWWPUUECI-AABGKKOBSA-N 2 1 372.557 3.023 20 0 FGADMP Cc1ccc([C@@H](CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC3)C2)[NH+]2CCCC2)cc1 ZINC000601290284 507324763 /nfs/dbraw/zinc/32/47/63/507324763.db2.gz KASFSTFWBPGHOX-NHCUHLMSSA-N 2 1 370.541 3.010 20 0 FGADMP C[C@@H]1CN(c2ccc(CNc3[nH+]ccc4cc(F)ccc43)cn2)CCO1 ZINC000584407599 507329281 /nfs/dbraw/zinc/32/92/81/507329281.db2.gz RTFKQCJWSXBONI-CQSZACIVSA-N 2 1 352.413 3.028 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3CCCC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000584437554 507343015 /nfs/dbraw/zinc/34/30/15/507343015.db2.gz NCWLLVYDLUUXST-NMLBUPMWSA-N 2 1 352.563 3.403 20 0 FGADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000595001548 507348142 /nfs/dbraw/zinc/34/81/42/507348142.db2.gz WXKQDULYVMMZED-GSEOLPGOSA-N 2 1 356.510 3.076 20 0 FGADMP C[C@@H](CSCCF)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000595003751 507351307 /nfs/dbraw/zinc/35/13/07/507351307.db2.gz LLEVHGZVEWQGIV-YESZJQIVSA-N 2 1 354.535 3.477 20 0 FGADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3 ZINC000614211149 507407111 /nfs/dbraw/zinc/40/71/11/507407111.db2.gz YVMRWWDICFVEPX-HXUWFJFHSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+]1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3 ZINC000614211149 507407116 /nfs/dbraw/zinc/40/71/16/507407116.db2.gz YVMRWWDICFVEPX-HXUWFJFHSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4[N@H+](C)CCCC4(C)C)cc3c2C1 ZINC000614211149 507407124 /nfs/dbraw/zinc/40/71/24/507407124.db2.gz YVMRWWDICFVEPX-HXUWFJFHSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+]1CCc2[nH]c3ccc(C(=O)NC[C@H]4[N@@H+](C)CCCC4(C)C)cc3c2C1 ZINC000614211149 507407130 /nfs/dbraw/zinc/40/71/30/507407130.db2.gz YVMRWWDICFVEPX-HXUWFJFHSA-N 2 1 368.525 3.006 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(Cl)c1 ZINC000606536110 507438432 /nfs/dbraw/zinc/43/84/32/507438432.db2.gz SGCDBEYYJFCLMY-MOPGFXCFSA-N 2 1 363.933 3.420 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000606669122 507476950 /nfs/dbraw/zinc/47/69/50/507476950.db2.gz HAFSRPCQCZQMSO-UHFFFAOYSA-N 2 1 352.567 3.158 20 0 FGADMP C[C@H](NC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC[NH+](C)CC1 ZINC000606703611 507487910 /nfs/dbraw/zinc/48/79/10/507487910.db2.gz YBKAJQJVAHYSSQ-CEXWTWQISA-N 2 1 364.578 3.013 20 0 FGADMP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000584776684 507500011 /nfs/dbraw/zinc/50/00/11/507500011.db2.gz GGGFGFKUXIVCEI-FRIKZZABSA-N 2 1 369.553 3.074 20 0 FGADMP COC(=O)c1cc(CN(C)CCC[N@@H+](C)Cc2ccco2)n2c1CCCC2 ZINC000598672858 507544565 /nfs/dbraw/zinc/54/45/65/507544565.db2.gz UKFYYFSTAUOCCF-UHFFFAOYSA-N 2 1 373.497 3.158 20 0 FGADMP COC(=O)c1cc(C[N@H+](C)CCCN(C)Cc2ccco2)n2c1CCCC2 ZINC000598672858 507544575 /nfs/dbraw/zinc/54/45/75/507544575.db2.gz UKFYYFSTAUOCCF-UHFFFAOYSA-N 2 1 373.497 3.158 20 0 FGADMP COC(=O)c1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)n2c1CCCC2 ZINC000598672858 507544583 /nfs/dbraw/zinc/54/45/83/507544583.db2.gz UKFYYFSTAUOCCF-UHFFFAOYSA-N 2 1 373.497 3.158 20 0 FGADMP Brc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901539 507549836 /nfs/dbraw/zinc/54/98/36/507549836.db2.gz VWULOXIAOWRLPV-HNNXBMFYSA-N 2 1 353.304 3.246 20 0 FGADMP Brc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901539 507549846 /nfs/dbraw/zinc/54/98/46/507549846.db2.gz VWULOXIAOWRLPV-HNNXBMFYSA-N 2 1 353.304 3.246 20 0 FGADMP C[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000607088669 507608753 /nfs/dbraw/zinc/60/87/53/507608753.db2.gz NWFSZSFGRIISCT-VQTJNVASSA-N 2 1 357.542 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123792 507621452 /nfs/dbraw/zinc/62/14/52/507621452.db2.gz PARSLYJUILRARC-JBACZVJFSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123792 507621459 /nfs/dbraw/zinc/62/14/59/507621459.db2.gz PARSLYJUILRARC-JBACZVJFSA-N 2 1 357.542 3.230 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000607123792 507621466 /nfs/dbraw/zinc/62/14/66/507621466.db2.gz PARSLYJUILRARC-JBACZVJFSA-N 2 1 357.542 3.230 20 0 FGADMP CN(C(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000614728044 507636745 /nfs/dbraw/zinc/63/67/45/507636745.db2.gz BZDGOOLLCVLHGR-IZCSPVGOSA-N 2 1 369.553 3.025 20 0 FGADMP CN(C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000614728044 507636748 /nfs/dbraw/zinc/63/67/48/507636748.db2.gz BZDGOOLLCVLHGR-IZCSPVGOSA-N 2 1 369.553 3.025 20 0 FGADMP CN(C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000614728044 507636752 /nfs/dbraw/zinc/63/67/52/507636752.db2.gz BZDGOOLLCVLHGR-IZCSPVGOSA-N 2 1 369.553 3.025 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000607227767 507659008 /nfs/dbraw/zinc/65/90/08/507659008.db2.gz NIHCVAGVAMLUDW-HXUWFJFHSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000592506012 507684371 /nfs/dbraw/zinc/68/43/71/507684371.db2.gz DBJPGUKPIGNRHG-KURKYZTESA-N 2 1 364.578 3.059 20 0 FGADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000595816033 507698670 /nfs/dbraw/zinc/69/86/70/507698670.db2.gz BMAKGSNNXWKGMM-FQEVSTJZSA-N 2 1 366.594 3.404 20 0 FGADMP CCSCC[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000602458424 507716461 /nfs/dbraw/zinc/71/64/61/507716461.db2.gz LWASVDVWLYVHAB-QGZVFWFLSA-N 2 1 363.571 3.018 20 0 FGADMP CC[NH+](CC)[C@@H](C(=O)NCCCNc1ccc(C)c[nH+]1)c1ccccc1 ZINC000531122271 518145173 /nfs/dbraw/zinc/14/51/73/518145173.db2.gz OIUUZUMUAGSAKK-HXUWFJFHSA-N 2 1 354.498 3.391 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)ccc1OC ZINC000328656675 528276548 /nfs/dbraw/zinc/27/65/48/528276548.db2.gz ZOAULTFKTZKDCH-RXVVDRJESA-N 2 1 355.482 3.272 20 0 FGADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)ccc1OC ZINC000328656675 528276551 /nfs/dbraw/zinc/27/65/51/528276551.db2.gz ZOAULTFKTZKDCH-RXVVDRJESA-N 2 1 355.482 3.272 20 0 FGADMP Cc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)cc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101233 562498530 /nfs/dbraw/zinc/49/85/30/562498530.db2.gz KTTODMAIWOBOQQ-OALUTQOASA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000533101233 562498531 /nfs/dbraw/zinc/49/85/31/562498531.db2.gz KTTODMAIWOBOQQ-OALUTQOASA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)cc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000533101233 562498532 /nfs/dbraw/zinc/49/85/32/562498532.db2.gz KTTODMAIWOBOQQ-OALUTQOASA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)n1 ZINC000533101233 562498537 /nfs/dbraw/zinc/49/85/37/562498537.db2.gz KTTODMAIWOBOQQ-OALUTQOASA-N 2 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)cc(NC[C@@H]2CC[N@H+](C(C)C)C2)n1 ZINC000533101233 562498538 /nfs/dbraw/zinc/49/85/38/562498538.db2.gz KTTODMAIWOBOQQ-OALUTQOASA-N 2 1 374.577 3.069 20 0 FGADMP CCCc1csc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)n1 ZINC000575065865 568095798 /nfs/dbraw/zinc/09/57/98/568095798.db2.gz RKWITSXBTIKEMC-LJQANCHMSA-N 2 1 358.555 3.174 20 0 FGADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)c1 ZINC000820112297 607476412 /nfs/dbraw/zinc/47/64/12/607476412.db2.gz QQYHBYUVKAPJGB-UHFFFAOYSA-N 2 1 368.460 3.136 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@@H+]1Cc1ccccc1 ZINC000820665245 606203637 /nfs/dbraw/zinc/20/36/37/606203637.db2.gz FEPWSLJPJNFDDG-OXQOHEQNSA-N 2 1 362.481 3.009 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC[N@H+]1Cc1ccccc1 ZINC000820665245 606203638 /nfs/dbraw/zinc/20/36/38/606203638.db2.gz FEPWSLJPJNFDDG-OXQOHEQNSA-N 2 1 362.481 3.009 20 0 FGADMP CC[N@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419674 608448268 /nfs/dbraw/zinc/44/82/68/608448268.db2.gz RLHCSCKPYPGNHN-HNNXBMFYSA-N 2 1 353.474 3.235 20 0 FGADMP CC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825419674 608448270 /nfs/dbraw/zinc/44/82/70/608448270.db2.gz RLHCSCKPYPGNHN-HNNXBMFYSA-N 2 1 353.474 3.235 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H](C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246596110 713626966 /nfs/dbraw/zinc/62/69/66/713626966.db2.gz GBXKDZWRSGZRPS-ZWKOTPCHSA-N 2 1 351.535 3.194 20 0 FGADMP Cc1nnc(N2CCC([NH2+]CCCC[N@@H+]3CCCC[C@H]3C)CC2)s1 ZINC000374720726 713940959 /nfs/dbraw/zinc/94/09/59/713940959.db2.gz XGYAFNOABJSYHE-OAHLLOKOSA-N 2 1 351.564 3.060 20 0 FGADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000521682862 714141587 /nfs/dbraw/zinc/14/15/87/714141587.db2.gz KTALOEUSAXZOSZ-GBESFXJTSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000521682862 714141590 /nfs/dbraw/zinc/14/15/90/714141590.db2.gz KTALOEUSAXZOSZ-GBESFXJTSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)NCCCC[NH+]1CCC[C@H](C)C1 ZINC000521682862 714141593 /nfs/dbraw/zinc/14/15/93/714141593.db2.gz KTALOEUSAXZOSZ-GBESFXJTSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000643482137 718036267 /nfs/dbraw/zinc/03/62/67/718036267.db2.gz OCYGAWJMYAWSJR-QEJZJMRPSA-N 2 1 357.479 3.398 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccsc1 ZINC000623409332 715329420 /nfs/dbraw/zinc/32/94/20/715329420.db2.gz ZDKAMYZSCABXFZ-ROUUACIJSA-N 2 1 364.559 3.057 20 0 FGADMP C[C@H]([NH2+]C[C@H]1CCCN1CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624096061 715471717 /nfs/dbraw/zinc/47/17/17/715471717.db2.gz SFRJGQNJUVCCFG-YTQUADARSA-N 2 1 351.485 3.216 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000625319103 715705190 /nfs/dbraw/zinc/70/51/90/715705190.db2.gz JHWLBLSHEFTYOF-LSDHHAIUSA-N 2 1 363.468 3.030 20 0 FGADMP CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000625319103 715705195 /nfs/dbraw/zinc/70/51/95/715705195.db2.gz JHWLBLSHEFTYOF-LSDHHAIUSA-N 2 1 363.468 3.030 20 0 FGADMP CC1(C)C[N@@H+](CCCCCCCCC[NH+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000790448478 723141353 /nfs/dbraw/zinc/14/13/53/723141353.db2.gz BNERMLLWIVKFHI-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP CC1(C)C[NH+](CCCCCCCCC[N@@H+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000790448478 723141355 /nfs/dbraw/zinc/14/13/55/723141355.db2.gz BNERMLLWIVKFHI-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP CC1(C)C[NH+](CCCCCCCCC[N@H+]2C[C@@H](O)C(C)(C)C2)C[C@@H]1O ZINC000790448478 723141357 /nfs/dbraw/zinc/14/13/57/723141357.db2.gz BNERMLLWIVKFHI-KDURUIRLSA-N 2 1 354.579 3.123 20 0 FGADMP [NH3+]C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629657377 716332215 /nfs/dbraw/zinc/33/22/15/716332215.db2.gz XBJWYRFAMWPQCT-IUODEOHRSA-N 2 1 356.367 3.175 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629657377 716332220 /nfs/dbraw/zinc/33/22/20/716332220.db2.gz XBJWYRFAMWPQCT-IUODEOHRSA-N 2 1 356.367 3.175 20 0 FGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000631110103 716567157 /nfs/dbraw/zinc/56/71/57/716567157.db2.gz VPEKLMMDGQCUJH-FUHWJXTLSA-N 2 1 359.539 3.332 20 0 FGADMP COCCc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000631110103 716567164 /nfs/dbraw/zinc/56/71/64/716567164.db2.gz VPEKLMMDGQCUJH-FUHWJXTLSA-N 2 1 359.539 3.332 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC(C)(C)C3)CC2)cs1 ZINC000634680606 717107256 /nfs/dbraw/zinc/10/72/56/717107256.db2.gz XNRQHJOCYPTZMK-INIZCTEOSA-N 2 1 351.560 3.465 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000635454189 717172049 /nfs/dbraw/zinc/17/20/49/717172049.db2.gz UNBJOAKZKHSFHS-VQIMIIECSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635454189 717172051 /nfs/dbraw/zinc/17/20/51/717172051.db2.gz UNBJOAKZKHSFHS-VQIMIIECSA-N 2 1 361.555 3.093 20 0 FGADMP O=C(NC[C@H]1CCC[NH+](Cc2cccs2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635454189 717172054 /nfs/dbraw/zinc/17/20/54/717172054.db2.gz UNBJOAKZKHSFHS-VQIMIIECSA-N 2 1 361.555 3.093 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000635603520 717181086 /nfs/dbraw/zinc/18/10/86/717181086.db2.gz PJTLHUFEGIRQMZ-QAPCUYQASA-N 2 1 360.527 3.267 20 0 FGADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000635603520 717181089 /nfs/dbraw/zinc/18/10/89/717181089.db2.gz PJTLHUFEGIRQMZ-QAPCUYQASA-N 2 1 360.527 3.267 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)c1ccc(Cl)cc1 ZINC000635914920 717209941 /nfs/dbraw/zinc/20/99/41/717209941.db2.gz QRXAYPQEOLHRKW-MAUKXSAKSA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914920 717209946 /nfs/dbraw/zinc/20/99/46/717209946.db2.gz QRXAYPQEOLHRKW-MAUKXSAKSA-N 2 1 351.922 3.181 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000635914920 717209953 /nfs/dbraw/zinc/20/99/53/717209953.db2.gz QRXAYPQEOLHRKW-MAUKXSAKSA-N 2 1 351.922 3.181 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638154198 717414872 /nfs/dbraw/zinc/41/48/72/717414872.db2.gz RWWORXCDFDTING-LJQANCHMSA-N 2 1 351.579 3.074 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534731 717760980 /nfs/dbraw/zinc/76/09/80/717760980.db2.gz UBEHDGZREVKXQZ-QGZVFWFLSA-N 2 1 352.544 3.349 20 0 FGADMP C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640534731 717760984 /nfs/dbraw/zinc/76/09/84/717760984.db2.gz UBEHDGZREVKXQZ-QGZVFWFLSA-N 2 1 352.544 3.349 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2Cl)C1 ZINC000644521959 718118023 /nfs/dbraw/zinc/11/80/23/718118023.db2.gz JTBOLNFMQLRTTI-IAGOWNOFSA-N 2 1 354.922 3.181 20 0 FGADMP CC1(C)Cc2c(cccc2Br)[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000644770935 718152574 /nfs/dbraw/zinc/15/25/74/718152574.db2.gz ZQKYSEOYWSQQEY-SUMWQHHRSA-N 2 1 367.331 3.119 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(OC(F)F)ccc2Br)CC1 ZINC000647199515 718339538 /nfs/dbraw/zinc/33/95/38/718339538.db2.gz GGMCSGHJVALVJY-UHFFFAOYSA-N 2 1 361.230 3.402 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545461 718366919 /nfs/dbraw/zinc/36/69/19/718366919.db2.gz OZLQOMUNMJKXLP-HOCLYGCPSA-N 2 1 367.331 3.240 20 0 FGADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977031 718391248 /nfs/dbraw/zinc/39/12/48/718391248.db2.gz XEXQRMYSRFTSCK-KFWWJZLASA-N 2 1 351.441 3.003 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161107 718402248 /nfs/dbraw/zinc/40/22/48/718402248.db2.gz XVIXTWCRAZPUSG-SJLPKXTDSA-N 2 1 353.457 3.122 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000648161107 718402250 /nfs/dbraw/zinc/40/22/50/718402250.db2.gz XVIXTWCRAZPUSG-SJLPKXTDSA-N 2 1 353.457 3.122 20 0 FGADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000648719832 718446509 /nfs/dbraw/zinc/44/65/09/718446509.db2.gz NULIDXXQHMGMLJ-HZPDHXFCSA-N 2 1 360.527 3.411 20 0 FGADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000648806459 718451831 /nfs/dbraw/zinc/45/18/31/718451831.db2.gz IVYCWYMPVKCOQT-WMLDXEAASA-N 2 1 362.905 3.469 20 0 FGADMP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299290 718502128 /nfs/dbraw/zinc/50/21/28/718502128.db2.gz FMWJLOSMPDQWLW-RTBURBONSA-N 2 1 357.885 3.121 20 0 FGADMP [NH3+][C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cccc(Cl)c1 ZINC000649299290 718502134 /nfs/dbraw/zinc/50/21/34/718502134.db2.gz FMWJLOSMPDQWLW-RTBURBONSA-N 2 1 357.885 3.121 20 0 FGADMP C[C@@H](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@@H+](C)Cc1ccccc1 ZINC000649347432 718506346 /nfs/dbraw/zinc/50/63/46/718506346.db2.gz WYSPCIWDEGADAR-HNAYVOBHSA-N 2 1 359.901 3.367 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)s2)C1 ZINC000650721886 718720146 /nfs/dbraw/zinc/72/01/46/718720146.db2.gz FAHYUVNGDQGMHY-XBFCOCLRSA-N 2 1 359.333 3.371 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000650723255 718720764 /nfs/dbraw/zinc/72/07/64/718720764.db2.gz KKPPDPYDFURYDN-DJIMGWMZSA-N 2 1 358.404 3.446 20 0 FGADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723540 718720808 /nfs/dbraw/zinc/72/08/08/718720808.db2.gz PUUMGSRRVQWOQF-KYJSFNMBSA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000652361796 718936850 /nfs/dbraw/zinc/93/68/50/718936850.db2.gz PMFPAYFZVDJQEY-BPQIPLTHSA-N 2 1 365.905 3.029 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363926 718937391 /nfs/dbraw/zinc/93/73/91/718937391.db2.gz SISDMMOWIGOMPT-FSPWUOQZSA-N 2 1 356.869 3.219 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618353 719051165 /nfs/dbraw/zinc/05/11/65/719051165.db2.gz ATUUHSNRDLNPIM-PMACEKPBSA-N 2 1 365.525 3.342 20 0 FGADMP CCN(C)c1cc(C)[nH+]c(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC001164618353 719051169 /nfs/dbraw/zinc/05/11/69/719051169.db2.gz ATUUHSNRDLNPIM-PMACEKPBSA-N 2 1 365.525 3.342 20 0 FGADMP FC(F)(F)c1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655692366 719326316 /nfs/dbraw/zinc/32/63/16/719326316.db2.gz UYCNEZLLXZZOOE-GOSISDBHSA-N 2 1 356.432 3.481 20 0 FGADMP CC(C)(C)c1csc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655713362 719328487 /nfs/dbraw/zinc/32/84/87/719328487.db2.gz ZJNHWCRSHSGIBG-MRXNPFEDSA-N 2 1 351.560 3.216 20 0 FGADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719738 719329201 /nfs/dbraw/zinc/32/92/01/719329201.db2.gz LHBZOWIVUNNUMZ-OALUTQOASA-N 2 1 352.906 3.261 20 0 FGADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1Cl ZINC000655729507 719330410 /nfs/dbraw/zinc/33/04/10/719330410.db2.gz BGJDKGGGUXMXLN-NVXWUHKLSA-N 2 1 352.906 3.340 20 0 FGADMP Clc1ccc(COCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655736645 719332016 /nfs/dbraw/zinc/33/20/16/719332016.db2.gz GOSPVJVTXZVJAR-LJQANCHMSA-N 2 1 352.906 3.090 20 0 FGADMP Clc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(-n2cncn2)c1 ZINC000656782029 719470084 /nfs/dbraw/zinc/47/00/84/719470084.db2.gz CXRIXRQVKOMBPZ-MRXNPFEDSA-N 2 1 359.905 3.132 20 0 FGADMP CC(C)[N@H+](C)Cc1nn(-c2ncc(F)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164681621 719623053 /nfs/dbraw/zinc/62/30/53/719623053.db2.gz JHYZATQJNWKWHS-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc(F)c3ccccc32)c2c1CC[NH2+]C2 ZINC001164681621 719623064 /nfs/dbraw/zinc/62/30/64/719623064.db2.gz JHYZATQJNWKWHS-UHFFFAOYSA-N 2 1 353.445 3.046 20 0 FGADMP C[NH+]1CCN(c2cccc(Cl)c2CN[C@H]2CC[N@H+](C(C)(C)C)C2)CC1 ZINC000657563376 719674438 /nfs/dbraw/zinc/67/44/38/719674438.db2.gz NPKGSNZSSVUZQK-INIZCTEOSA-N 2 1 364.965 3.054 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657753673 719705050 /nfs/dbraw/zinc/70/50/50/719705050.db2.gz YLBWUIGLSQAQMJ-IBGZPJMESA-N 2 1 357.523 3.461 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C3(OC)CCC3)CC2)cs1 ZINC000657878713 719724342 /nfs/dbraw/zinc/72/43/42/719724342.db2.gz IBMCSKNXGVYTDI-OAHLLOKOSA-N 2 1 351.560 3.465 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2(CS(C)(=O)=O)CC2)cc1 ZINC000658078052 719752616 /nfs/dbraw/zinc/75/26/16/719752616.db2.gz NIACWAOVELMBST-OAHLLOKOSA-N 2 1 361.511 3.046 20 0 FGADMP Cc1nc2c(s1)[C@H]([NH2+]Cc1ccc(C[N@H+]3CC[C@H](O)C3)cc1)CCC2 ZINC000658143685 719762664 /nfs/dbraw/zinc/76/26/64/719762664.db2.gz ZTFCLLVROFUOGQ-ZWKOTPCHSA-N 2 1 357.523 3.185 20 0 FGADMP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659946030 719961983 /nfs/dbraw/zinc/96/19/83/719961983.db2.gz YUNFUIZFOXQARZ-LPHOPBHVSA-N 2 1 359.539 3.440 20 0 FGADMP O=C1Nc2ccccc2S[C@H]1CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000659957588 719963476 /nfs/dbraw/zinc/96/34/76/719963476.db2.gz VGQYTZABHOHIPU-APWZRJJASA-N 2 1 359.539 3.297 20 0 FGADMP C[C@@H]1CN(CC[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000660007127 719971059 /nfs/dbraw/zinc/97/10/59/719971059.db2.gz HFRZQOYEGWPHRA-VAMGGRTRSA-N 2 1 351.579 3.072 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccsc1 ZINC000660338742 720033085 /nfs/dbraw/zinc/03/30/85/720033085.db2.gz LWZJAZDUXPHLBE-IRXDYDNUSA-N 2 1 366.575 3.303 20 0 FGADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652263 720090960 /nfs/dbraw/zinc/09/09/60/720090960.db2.gz HYAXMFDIEYRSQW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652263 720090965 /nfs/dbraw/zinc/09/09/65/720090965.db2.gz HYAXMFDIEYRSQW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652263 720090970 /nfs/dbraw/zinc/09/09/70/720090970.db2.gz HYAXMFDIEYRSQW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652263 720090974 /nfs/dbraw/zinc/09/09/74/720090974.db2.gz HYAXMFDIEYRSQW-KDOFPFPSSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656952 720092547 /nfs/dbraw/zinc/09/25/47/720092547.db2.gz CHMMIDRHWHQTQJ-ROUUACIJSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656952 720092554 /nfs/dbraw/zinc/09/25/54/720092554.db2.gz CHMMIDRHWHQTQJ-ROUUACIJSA-N 2 1 356.432 3.027 20 0 FGADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1ccc(C(F)(F)F)cc1)C2 ZINC000660656952 720092557 /nfs/dbraw/zinc/09/25/57/720092557.db2.gz CHMMIDRHWHQTQJ-ROUUACIJSA-N 2 1 356.432 3.027 20 0 FGADMP C[C@H](OC[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657643 720092603 /nfs/dbraw/zinc/09/26/03/720092603.db2.gz ZAKLTRIATHRCHB-PWIZWCRZSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657643 720092612 /nfs/dbraw/zinc/09/26/12/720092612.db2.gz ZAKLTRIATHRCHB-PWIZWCRZSA-N 2 1 366.933 3.196 20 0 FGADMP C[C@H](OC[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(Cl)cc1 ZINC000660657643 720092619 /nfs/dbraw/zinc/09/26/19/720092619.db2.gz ZAKLTRIATHRCHB-PWIZWCRZSA-N 2 1 366.933 3.196 20 0 FGADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(OC(C)C)cc[nH+]1)C2 ZINC001164809125 720126095 /nfs/dbraw/zinc/12/60/95/720126095.db2.gz HGRKNLUSZQBWLG-GHTZIAJQSA-N 2 1 359.514 3.054 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1)CC(F)(F)F ZINC000662263839 720406881 /nfs/dbraw/zinc/40/68/81/720406881.db2.gz OYKXZBANEQQJKD-HNNXBMFYSA-N 2 1 355.448 3.038 20 0 FGADMP C[NH2+][C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)c1cccc(Cl)c1Cl ZINC000662422412 720426961 /nfs/dbraw/zinc/42/69/61/720426961.db2.gz OFPUYYRPHXYSEK-QGZVFWFLSA-N 2 1 370.324 3.245 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(F)cc1F)c1ccc(Cl)cc1 ZINC000662752175 720456400 /nfs/dbraw/zinc/45/64/00/720456400.db2.gz GLBWCJVRTWTVNF-SJORKVTESA-N 2 1 367.827 3.037 20 0 FGADMP C[NH2+][C@H](C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1)c1cccc(Cl)c1Cl ZINC000662824495 720461686 /nfs/dbraw/zinc/46/16/86/720461686.db2.gz WCKHFCHRRBZBCN-ABAIWWIYSA-N 2 1 356.297 3.045 20 0 FGADMP Clc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(-n2cncn2)c1 ZINC000663343826 720503249 /nfs/dbraw/zinc/50/32/49/720503249.db2.gz GEKPYMRSXUWRPU-INIZCTEOSA-N 2 1 359.905 3.132 20 0 FGADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474778 720518649 /nfs/dbraw/zinc/51/86/49/720518649.db2.gz QKHJTXVIGGEBIP-YOEHRIQHSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474778 720518650 /nfs/dbraw/zinc/51/86/50/720518650.db2.gz QKHJTXVIGGEBIP-YOEHRIQHSA-N 2 1 359.436 3.327 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669556549 721465730 /nfs/dbraw/zinc/46/57/30/721465730.db2.gz ZIFXARZHNUHNTR-UVBJJODRSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](C(C)(C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000669556549 721465732 /nfs/dbraw/zinc/46/57/32/721465732.db2.gz ZIFXARZHNUHNTR-UVBJJODRSA-N 2 1 370.900 3.039 20 0 FGADMP Cc1[nH+]c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc2[nH]ccc21 ZINC001164904651 721549666 /nfs/dbraw/zinc/54/96/66/721549666.db2.gz FWZLGJFUFCBRKZ-FUHWJXTLSA-N 2 1 366.440 3.352 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165029406 721817887 /nfs/dbraw/zinc/81/78/87/721817887.db2.gz YUQKOHQIHFTQIT-YYWHXJBOSA-N 2 1 365.525 3.479 20 0 FGADMP CCc1cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(C)[nH+]1 ZINC001165029406 721817888 /nfs/dbraw/zinc/81/78/88/721817888.db2.gz YUQKOHQIHFTQIT-YYWHXJBOSA-N 2 1 365.525 3.479 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCC[C@@H]([NH+](C)C)C3)c2c1C ZINC000068902705 721895963 /nfs/dbraw/zinc/89/59/63/721895963.db2.gz RWRWNFXVVPBXAU-MRXNPFEDSA-N 2 1 373.570 3.434 20 0 FGADMP Cc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Br ZINC000678074213 721937020 /nfs/dbraw/zinc/93/70/20/721937020.db2.gz CJHJEVBNGNHUKU-QGZVFWFLSA-N 2 1 367.331 3.491 20 0 FGADMP CCC[NH+]1CCC([NH2+][C@H]2CC(=O)N(C)[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000678774973 721977932 /nfs/dbraw/zinc/97/79/32/721977932.db2.gz VMPDIWXDJIEYAN-HKUYNNGSSA-N 2 1 367.896 3.215 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCc3cccnc32)c2cccs2)CC1 ZINC000684953404 722369396 /nfs/dbraw/zinc/36/93/96/722369396.db2.gz GVDCDRVBAUVKDW-ZWKOTPCHSA-N 2 1 356.539 3.099 20 0 FGADMP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cscc2Cl)CC1 ZINC000685453146 722385457 /nfs/dbraw/zinc/38/54/57/722385457.db2.gz HZPUZOISEKAVDX-UHFFFAOYSA-N 2 1 371.978 3.462 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000700789131 722409903 /nfs/dbraw/zinc/40/99/03/722409903.db2.gz SZKMREOUBPMTTN-OKZBNKHCSA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000700802283 722409925 /nfs/dbraw/zinc/40/99/25/722409925.db2.gz HJQNIIVBGHLZJY-SQNIBIBYSA-N 2 1 353.551 3.486 20 0 FGADMP CC[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]([C@@H]2C)N3C(=O)OC(C)(C)C)CC1 ZINC000709283443 722412821 /nfs/dbraw/zinc/41/28/21/722412821.db2.gz DKBHZRPBLMCYMO-BGTYHANMSA-N 2 1 351.535 3.237 20 0 FGADMP C[N@H+]1CCC[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)C1 ZINC000720621507 722419405 /nfs/dbraw/zinc/41/94/05/722419405.db2.gz FGXIRYNIVDDHEX-OOKSDGMUSA-N 2 1 351.535 3.096 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccc(C)s1 ZINC000745735861 722590006 /nfs/dbraw/zinc/59/00/06/722590006.db2.gz KFAKVJWAEGFIRJ-IAGOWNOFSA-N 2 1 366.575 3.175 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781346 722956849 /nfs/dbraw/zinc/95/68/49/722956849.db2.gz VCRDEKFEDFVMJT-PKOBYXMFSA-N 2 1 361.917 3.235 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=O)C[C@@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781344 722956883 /nfs/dbraw/zinc/95/68/83/722956883.db2.gz VCRDEKFEDFVMJT-IEBWSBKVSA-N 2 1 361.917 3.235 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000760659823 723076678 /nfs/dbraw/zinc/07/66/78/723076678.db2.gz ZVPVPENEMHNEJP-DLBZAZTESA-N 2 1 353.551 3.486 20 0 FGADMP C[C@H](C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000760659823 723076679 /nfs/dbraw/zinc/07/66/79/723076679.db2.gz ZVPVPENEMHNEJP-DLBZAZTESA-N 2 1 353.551 3.486 20 0 FGADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762915795 723291477 /nfs/dbraw/zinc/29/14/77/723291477.db2.gz FQAYWTKHPKKTPX-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000762915795 723291482 /nfs/dbraw/zinc/29/14/82/723291482.db2.gz FQAYWTKHPKKTPX-KRWDZBQOSA-N 2 1 350.507 3.303 20 0 FGADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccnc(Cl)c1 ZINC000764461185 723415340 /nfs/dbraw/zinc/41/53/40/723415340.db2.gz BOJBTQLHYNJDPC-GDBMZVCRSA-N 2 1 364.946 3.436 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000795019121 723556997 /nfs/dbraw/zinc/55/69/97/723556997.db2.gz TYONYTCMJYEIMO-OAHLLOKOSA-N 2 1 354.951 3.172 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000767428820 723618996 /nfs/dbraw/zinc/61/89/96/723618996.db2.gz IWXDEJYJGOREHZ-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000767428820 723618998 /nfs/dbraw/zinc/61/89/98/723618998.db2.gz IWXDEJYJGOREHZ-WBVHZDCISA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000767458680 723620009 /nfs/dbraw/zinc/62/00/09/723620009.db2.gz BKMDPAZPNSSGLW-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](CNC(=O)OC(C)(C)C)C[C@H]1C ZINC000767458680 723620011 /nfs/dbraw/zinc/62/00/11/723620011.db2.gz BKMDPAZPNSSGLW-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP O=C(NC1CCCCC1)OC[C@@H]1CCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000796678820 723649994 /nfs/dbraw/zinc/64/99/94/723649994.db2.gz QNVIHTCNRPLDSU-IBGZPJMESA-N 2 1 351.535 3.386 20 0 FGADMP O=C(NC1CCCCC1)OC[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000796678820 723649996 /nfs/dbraw/zinc/64/99/96/723649996.db2.gz QNVIHTCNRPLDSU-IBGZPJMESA-N 2 1 351.535 3.386 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(Br)c(F)c1 ZINC000768513414 723659888 /nfs/dbraw/zinc/65/98/88/723659888.db2.gz ZKEOJGXNAWJJKF-IACUBPJLSA-N 2 1 357.267 3.102 20 0 FGADMP CN(CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1)C(=O)OC(C)(C)C ZINC000769942104 723701701 /nfs/dbraw/zinc/70/17/01/723701701.db2.gz GXYPIZLLINZETC-GOSISDBHSA-N 2 1 353.551 3.440 20 0 FGADMP CN(CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975247 723893343 /nfs/dbraw/zinc/89/33/43/723893343.db2.gz YZYUDFBXYGNESQ-WMZOPIPTSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975247 723893345 /nfs/dbraw/zinc/89/33/45/723893345.db2.gz YZYUDFBXYGNESQ-WMZOPIPTSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975247 723893349 /nfs/dbraw/zinc/89/33/49/723893349.db2.gz YZYUDFBXYGNESQ-WMZOPIPTSA-N 2 1 351.535 3.192 20 0 FGADMP CN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C(=O)OC(C)(C)C ZINC000797975247 723893353 /nfs/dbraw/zinc/89/33/53/723893353.db2.gz YZYUDFBXYGNESQ-WMZOPIPTSA-N 2 1 351.535 3.192 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774986549 723948093 /nfs/dbraw/zinc/94/80/93/723948093.db2.gz REONLGRLSDJDND-UHFFFAOYSA-N 2 1 351.273 3.354 20 0 FGADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc(C)c1OC(F)F ZINC000799346908 724015964 /nfs/dbraw/zinc/01/59/64/724015964.db2.gz TYHKFKZZIDBNTP-UHFFFAOYSA-N 2 1 355.473 3.020 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCCC[C@H]1NC(=O)OC(C)(C)C ZINC000788249304 725052846 /nfs/dbraw/zinc/05/28/46/725052846.db2.gz TXPSMIJJYXBFMJ-DLBZAZTESA-N 2 1 350.507 3.397 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562994 725073001 /nfs/dbraw/zinc/07/30/01/725073001.db2.gz MWJDTRRCRGCCJO-JKSUJKDBSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562994 725073003 /nfs/dbraw/zinc/07/30/03/725073003.db2.gz MWJDTRRCRGCCJO-JKSUJKDBSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562992 725073122 /nfs/dbraw/zinc/07/31/22/725073122.db2.gz MWJDTRRCRGCCJO-HOTGVXAUSA-N 2 1 353.551 3.342 20 0 FGADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000788562992 725073125 /nfs/dbraw/zinc/07/31/25/725073125.db2.gz MWJDTRRCRGCCJO-HOTGVXAUSA-N 2 1 353.551 3.342 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H]3CCc4nc(Cl)ccc43)CC2)nc(C)[nH+]1 ZINC000806141749 725117788 /nfs/dbraw/zinc/11/77/88/725117788.db2.gz LWNYORHDPNRGKT-MRXNPFEDSA-N 2 1 357.889 3.388 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558214 725247505 /nfs/dbraw/zinc/24/75/05/725247505.db2.gz ZTVVOUQICNQZDU-IAGOWNOFSA-N 2 1 350.576 3.291 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ncc(C[NH+](C)C)s2)C1 ZINC000809558214 725247506 /nfs/dbraw/zinc/24/75/06/725247506.db2.gz ZTVVOUQICNQZDU-IAGOWNOFSA-N 2 1 350.576 3.291 20 0 FGADMP C[NH+](C)Cc1cnc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)s1 ZINC000809567608 725248184 /nfs/dbraw/zinc/24/81/84/725248184.db2.gz LINXYIHSEAHGMM-KRWDZBQOSA-N 2 1 350.576 3.293 20 0 FGADMP Cc1nn(C)c2nc(Cl)c(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cc12 ZINC000809755557 725265435 /nfs/dbraw/zinc/26/54/35/725265435.db2.gz KLOJVLPMTHOLBU-OAHLLOKOSA-N 2 1 361.921 3.094 20 0 FGADMP C[NH+](C)C[C@@H](NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)c1ccc(Cl)cc1 ZINC000811505148 725370532 /nfs/dbraw/zinc/37/05/32/725370532.db2.gz GVLJOQLCTKBMLR-APWZRJJASA-N 2 1 369.912 3.271 20 0 FGADMP C[N@@H+](CCc1ccc(F)cc1Cl)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000811506801 725370681 /nfs/dbraw/zinc/37/06/81/725370681.db2.gz GGPMYPQRQUZOML-SFHVURJKSA-N 2 1 353.913 3.122 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934152 727288281 /nfs/dbraw/zinc/28/82/81/727288281.db2.gz BDFDJXIXYRUKKW-MORSLUCNSA-N 2 1 363.299 3.031 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc(Br)c2)C1 ZINC000819183172 727355612 /nfs/dbraw/zinc/35/56/12/727355612.db2.gz UMLISUFMPWNKEB-QAPCUYQASA-N 2 1 369.347 3.440 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(OC(F)(F)F)cc1 ZINC000819278886 727363933 /nfs/dbraw/zinc/36/39/33/727363933.db2.gz SPMGMNFWNNZZGU-DQPZFDDXSA-N 2 1 358.404 3.225 20 0 FGADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1)C1CC1 ZINC000819361179 727371072 /nfs/dbraw/zinc/37/10/72/727371072.db2.gz HTDZHURZVJMQGU-MRXNPFEDSA-N 2 1 359.283 3.086 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)Nc1cccc(Cl)c1 ZINC000871784854 735545901 /nfs/dbraw/zinc/54/59/01/735545901.db2.gz IZTZLUHPZZERFB-OKSWLAIDSA-N 2 1 364.877 3.038 20 0 FGADMP C[C@@H](O[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(=O)Nc1cccc(Cl)c1 ZINC000871784854 735545905 /nfs/dbraw/zinc/54/59/05/735545905.db2.gz IZTZLUHPZZERFB-OKSWLAIDSA-N 2 1 364.877 3.038 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000820811190 729033650 /nfs/dbraw/zinc/03/36/50/729033650.db2.gz MHMLLLVOWFQWRY-DOTOQJQBSA-N 2 1 350.507 3.349 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000820869963 729039370 /nfs/dbraw/zinc/03/93/70/729039370.db2.gz ZPPCGQASATWBGV-MGPQQGTHSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000820869963 729039371 /nfs/dbraw/zinc/03/93/71/729039371.db2.gz ZPPCGQASATWBGV-MGPQQGTHSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869963 729039373 /nfs/dbraw/zinc/03/93/73/729039373.db2.gz ZPPCGQASATWBGV-MGPQQGTHSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](CC(F)(F)F)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000820869963 729039374 /nfs/dbraw/zinc/03/93/74/729039374.db2.gz ZPPCGQASATWBGV-MGPQQGTHSA-N 2 1 367.456 3.247 20 0 FGADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000823436857 729280715 /nfs/dbraw/zinc/28/07/15/729280715.db2.gz DNAJRMGMOLGQFK-WMZOPIPTSA-N 2 1 353.551 3.296 20 0 FGADMP C[N@H+](CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC000823723993 729301324 /nfs/dbraw/zinc/30/13/24/729301324.db2.gz SWPSAGUBFMMZER-OXQOHEQNSA-N 2 1 351.535 3.098 20 0 FGADMP C[N@@H+](CC[NH2+]C[C@@]12C[C@@H]1CN(C(=O)OC(C)(C)C)C2)C1CCCCC1 ZINC000823723993 729301325 /nfs/dbraw/zinc/30/13/25/729301325.db2.gz SWPSAGUBFMMZER-OXQOHEQNSA-N 2 1 351.535 3.098 20 0 FGADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834566846 729815119 /nfs/dbraw/zinc/81/51/19/729815119.db2.gz TZSOQRRCVJNVTH-VYDXJSESSA-N 2 1 350.507 3.205 20 0 FGADMP COc1cc2c(c(OC)c1OC)CC[N@@H+](CCCCCCC[NH3+])CC2 ZINC000842476094 730507273 /nfs/dbraw/zinc/50/72/73/730507273.db2.gz GOQYXIUPOYUIQI-UHFFFAOYSA-N 2 1 350.503 3.022 20 0 FGADMP Ic1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000843126432 730589055 /nfs/dbraw/zinc/58/90/55/730589055.db2.gz REXLDUKNALCKDN-KGLIPLIRSA-N 2 1 370.278 3.113 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363904 730610830 /nfs/dbraw/zinc/61/08/30/730610830.db2.gz SNVDPDLWLMZFTL-GFCCVEGCSA-N 2 1 356.297 3.396 20 0 FGADMP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363755 730611078 /nfs/dbraw/zinc/61/10/78/730611078.db2.gz OFPPVQJXAKQFCM-AWEZNQCLSA-N 2 1 360.889 3.450 20 0 FGADMP CCCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844901395 730787215 /nfs/dbraw/zinc/78/72/15/730787215.db2.gz DVTQDVFZYNJQAA-XYJFISCASA-N 2 1 368.953 3.363 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000846200735 730936273 /nfs/dbraw/zinc/93/62/73/730936273.db2.gz ULVQDQMOCCJHDE-YESZJQIVSA-N 2 1 351.535 3.144 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(Cl)nc43)cc2)C1 ZINC000857913693 732168902 /nfs/dbraw/zinc/16/89/02/732168902.db2.gz DUNVGMFLBXCRAK-ZWKOTPCHSA-N 2 1 357.885 3.079 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475264 733209208 /nfs/dbraw/zinc/20/92/08/733209208.db2.gz JDCOUVPBAMBISJ-MAUKXSAKSA-N 2 1 355.511 3.203 20 0 FGADMP Cn1ncc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](C)[C@H]3c3cccs3)cnc21 ZINC000865475264 733209212 /nfs/dbraw/zinc/20/92/12/733209212.db2.gz JDCOUVPBAMBISJ-MAUKXSAKSA-N 2 1 355.511 3.203 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(CN(C)C)s1 ZINC000865659617 733248051 /nfs/dbraw/zinc/24/80/51/733248051.db2.gz DLMHAROIUANOQN-SJLPKXTDSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659617 733248055 /nfs/dbraw/zinc/24/80/55/733248055.db2.gz DLMHAROIUANOQN-SJLPKXTDSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000865659617 733248061 /nfs/dbraw/zinc/24/80/61/733248061.db2.gz DLMHAROIUANOQN-SJLPKXTDSA-N 2 1 358.555 3.062 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2c(ccnc2Cl)o1 ZINC000866261986 733330300 /nfs/dbraw/zinc/33/03/00/733330300.db2.gz CUOYZMBRLATSSJ-UONOGXRCSA-N 2 1 351.878 3.369 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)[C@@H](C)C1 ZINC000866453150 733351187 /nfs/dbraw/zinc/35/11/87/733351187.db2.gz IKQXBWJNLOSETD-XSLAGTTESA-N 2 1 353.551 3.390 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467807 733354228 /nfs/dbraw/zinc/35/42/28/733354228.db2.gz QVJBHBBNAOUYNV-FPOVZHCZSA-N 3 1 353.595 3.224 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]CCC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000866467807 733354235 /nfs/dbraw/zinc/35/42/35/733354235.db2.gz QVJBHBBNAOUYNV-FPOVZHCZSA-N 2 1 353.595 3.224 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)CC1(C)C ZINC000872128896 735593305 /nfs/dbraw/zinc/59/33/05/735593305.db2.gz NIOJONYLTAOMGQ-HZMVEIRTSA-N 2 1 351.535 3.237 20 0 FGADMP C[C@@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+](C)CCCCCC[NH3+] ZINC000872155734 735597055 /nfs/dbraw/zinc/59/70/55/735597055.db2.gz VCQGRQZXTFOERZ-HNNXBMFYSA-N 2 1 362.543 3.094 20 0 FGADMP CC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158879 735597234 /nfs/dbraw/zinc/59/72/34/735597234.db2.gz YTVJSUCJYOMGKG-RHSMWYFYSA-N 2 1 350.532 3.221 20 0 FGADMP CC(=O)Nc1nc(C[N@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cs1 ZINC000872158879 735597235 /nfs/dbraw/zinc/59/72/35/735597235.db2.gz YTVJSUCJYOMGKG-RHSMWYFYSA-N 2 1 350.532 3.221 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000876029292 736050265 /nfs/dbraw/zinc/05/02/65/736050265.db2.gz BZZBULRDEVTYGK-PKOBYXMFSA-N 2 1 352.567 3.011 20 0 FGADMP CCO[P@](C)(=O)CC[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000877625496 736695604 /nfs/dbraw/zinc/69/56/04/736695604.db2.gz ZJNNPILKSYPZQX-GIIVHJRKSA-N 2 1 368.458 3.066 20 0 FGADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H]3[C@@H](CC[NH+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743209 736713071 /nfs/dbraw/zinc/71/30/71/736713071.db2.gz ULYDCTBXBXJTTP-BDXSIMOUSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743209 736713073 /nfs/dbraw/zinc/71/30/73/736713073.db2.gz ULYDCTBXBXJTTP-BDXSIMOUSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CCN1C(=O)OC(C)(C)C ZINC000877743209 736713074 /nfs/dbraw/zinc/71/30/74/736713074.db2.gz ULYDCTBXBXJTTP-BDXSIMOUSA-N 2 1 351.535 3.048 20 0 FGADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107124 736772653 /nfs/dbraw/zinc/77/26/53/736772653.db2.gz LYWRBAWVUFXGHB-AABGKKOBSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107124 736772656 /nfs/dbraw/zinc/77/26/56/736772656.db2.gz LYWRBAWVUFXGHB-AABGKKOBSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107124 736772661 /nfs/dbraw/zinc/77/26/61/736772661.db2.gz LYWRBAWVUFXGHB-AABGKKOBSA-N 2 1 350.547 3.301 20 0 FGADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(CCOCC3)O2)C1 ZINC000878107124 736772664 /nfs/dbraw/zinc/77/26/64/736772664.db2.gz LYWRBAWVUFXGHB-AABGKKOBSA-N 2 1 350.547 3.301 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+](CCCCC[N@@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879962486 737091223 /nfs/dbraw/zinc/09/12/23/737091223.db2.gz OFYVPDXRNQSLEN-OALUTQOASA-N 2 1 354.579 3.123 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000883192977 737533867 /nfs/dbraw/zinc/53/38/67/737533867.db2.gz LTBSRWPFUUZPTJ-ZMMAXQRCSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[C@@H]1CCCOC1 ZINC000883192977 737533870 /nfs/dbraw/zinc/53/38/70/737533870.db2.gz LTBSRWPFUUZPTJ-ZMMAXQRCSA-N 2 1 352.544 3.162 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]([NH3+])c2ccccc2C(F)(F)F)c1 ZINC000884014547 737625601 /nfs/dbraw/zinc/62/56/01/737625601.db2.gz PKTUQYHHRZQIKL-INIZCTEOSA-N 2 1 351.372 3.453 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000892590221 740020326 /nfs/dbraw/zinc/02/03/26/740020326.db2.gz SXRJJOWMJMBTAK-GCSSGZNBSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000892590221 740020331 /nfs/dbraw/zinc/02/03/31/740020331.db2.gz SXRJJOWMJMBTAK-GCSSGZNBSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000892590222 740020410 /nfs/dbraw/zinc/02/04/10/740020410.db2.gz SXRJJOWMJMBTAK-NPJQDHAYSA-N 2 1 362.436 3.113 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000892590222 740020416 /nfs/dbraw/zinc/02/04/16/740020416.db2.gz SXRJJOWMJMBTAK-NPJQDHAYSA-N 2 1 362.436 3.113 20 0 FGADMP COC(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(C(F)(F)F)c1 ZINC000894192809 742251326 /nfs/dbraw/zinc/25/13/26/742251326.db2.gz CWJIIKIPDTWVPY-UHFFFAOYSA-N 2 1 355.360 3.177 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894550630 742297831 /nfs/dbraw/zinc/29/78/31/742297831.db2.gz ZSDMNWKQFWDJIC-TUVASFSCSA-N 2 1 352.441 3.215 20 0 FGADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H](C)C[N@@H+](C)C(C)C)C[C@@H]1C(F)(F)F ZINC000894550630 742297834 /nfs/dbraw/zinc/29/78/34/742297834.db2.gz ZSDMNWKQFWDJIC-TUVASFSCSA-N 2 1 352.441 3.215 20 0 FGADMP COC(=O)c1cnc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)s1 ZINC000896930831 742617026 /nfs/dbraw/zinc/61/70/26/742617026.db2.gz BQQSSRNKFPSONB-ZBFHGGJFSA-N 2 1 365.543 3.105 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H](c2ccccn2)C2CC2)c2cccs2)CC1 ZINC000903055289 743800455 /nfs/dbraw/zinc/80/04/55/743800455.db2.gz BBULYXJXDDOBCM-UYAOXDASSA-N 2 1 356.539 3.173 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460442 743853354 /nfs/dbraw/zinc/85/33/54/743853354.db2.gz CKQIPCDIGKOLAF-VNQPRFMTSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2Br)C1 ZINC000903460442 743853357 /nfs/dbraw/zinc/85/33/57/743853357.db2.gz CKQIPCDIGKOLAF-VNQPRFMTSA-N 2 1 371.294 3.449 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)nc1C ZINC000904384719 743950715 /nfs/dbraw/zinc/95/07/15/743950715.db2.gz NBWULTWOXFKMHH-IBGZPJMESA-N 2 1 365.543 3.197 20 0 FGADMP Fc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1C(F)F ZINC000904388965 743951041 /nfs/dbraw/zinc/95/10/41/743951041.db2.gz QUSLUBHSAHSJAJ-IYBDPMFKSA-N 2 1 353.432 3.164 20 0 FGADMP CCOc1c(Br)cc(C[N@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904406403 743952777 /nfs/dbraw/zinc/95/27/77/743952777.db2.gz SFTGDDKEIZLMAK-LBPRGKRZSA-N 2 1 357.292 3.027 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130991 743995068 /nfs/dbraw/zinc/99/50/68/743995068.db2.gz BJXVRTRHIACXNV-ZHALLVOQSA-N 2 1 366.571 3.167 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(O)CCCCC2)[C@@H]1c1cccs1 ZINC000905130991 743995070 /nfs/dbraw/zinc/99/50/70/743995070.db2.gz BJXVRTRHIACXNV-ZHALLVOQSA-N 2 1 366.571 3.167 20 0 FGADMP Cc1cc(C[NH+]2CCC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000948384860 762327075 /nfs/dbraw/zinc/32/70/75/762327075.db2.gz GPDSZNHFLAEUCT-BHIYHBOVSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cs1 ZINC000948384860 762327084 /nfs/dbraw/zinc/32/70/84/762327084.db2.gz GPDSZNHFLAEUCT-BHIYHBOVSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1cc(C[N@@H+]2CCC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cs1 ZINC000948384860 762327095 /nfs/dbraw/zinc/32/70/95/762327095.db2.gz GPDSZNHFLAEUCT-BHIYHBOVSA-N 2 1 363.571 3.210 20 0 FGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC000948389486 762329206 /nfs/dbraw/zinc/32/92/06/762329206.db2.gz TYHISMHILDPOAD-HSALFYBXSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC000948389486 762329213 /nfs/dbraw/zinc/32/92/13/762329213.db2.gz TYHISMHILDPOAD-HSALFYBXSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC000948389486 762329220 /nfs/dbraw/zinc/32/92/20/762329220.db2.gz TYHISMHILDPOAD-HSALFYBXSA-N 2 1 351.579 3.466 20 0 FGADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(Br)s1)C2 ZINC000922386804 758909007 /nfs/dbraw/zinc/90/90/07/758909007.db2.gz IRWZCYPOXMOFAU-LUYZLQTOSA-N 2 1 373.360 3.080 20 0 FGADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)o3)C2)[C@H]1C(C)C ZINC000922393684 758913928 /nfs/dbraw/zinc/91/39/28/758913928.db2.gz SDQFGRFCEKSDLB-MUIFIZLQSA-N 2 1 371.319 3.002 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)C1 ZINC000923389124 759109054 /nfs/dbraw/zinc/10/90/54/759109054.db2.gz TULQCVQQAPDDND-NMVRNDPTSA-N 2 1 373.324 3.245 20 0 FGADMP [NH3+]CC[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)C1 ZINC000923483735 759129591 /nfs/dbraw/zinc/12/95/91/759129591.db2.gz QQPNLNFFEXQDEE-LBPRGKRZSA-N 2 1 350.260 3.275 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1OC ZINC000923495275 759132059 /nfs/dbraw/zinc/13/20/59/759132059.db2.gz BECTZDUBNIQSOU-HIFRSBDPSA-N 2 1 361.511 3.244 20 0 FGADMP COC1CC[NH+](C2(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CCCC2)CC1 ZINC000925000761 759430098 /nfs/dbraw/zinc/43/00/98/759430098.db2.gz VHHBZLJVDFUPKI-UYAOXDASSA-N 2 1 350.547 3.205 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC4(C3)CO[C@H](C)C4)CC2)cs1 ZINC000925031798 759433629 /nfs/dbraw/zinc/43/36/29/759433629.db2.gz PEQXJTPGCJPJEG-XRTORIHISA-N 2 1 363.571 3.465 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC4(C3)CO[C@@H](C)C4)CC2)cs1 ZINC000925031797 759434034 /nfs/dbraw/zinc/43/40/34/759434034.db2.gz PEQXJTPGCJPJEG-FVWXCPNNSA-N 2 1 363.571 3.465 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)CC2)cs1 ZINC000925573829 759507228 /nfs/dbraw/zinc/50/72/28/759507228.db2.gz PYQYJNLSFCKTCW-GOSISDBHSA-N 3 1 362.587 3.182 20 0 FGADMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@H](C)c1nc2ccccc2s1 ZINC000925842585 759556048 /nfs/dbraw/zinc/55/60/48/759556048.db2.gz AYIDTUUEMLMPPZ-IRXDYDNUSA-N 2 1 360.571 3.453 20 0 FGADMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)[C@H](C)c1nc2ccccc2s1 ZINC000925842583 759556350 /nfs/dbraw/zinc/55/63/50/759556350.db2.gz AYIDTUUEMLMPPZ-DLBZAZTESA-N 2 1 360.571 3.453 20 0 FGADMP C[C@H]([NH2+]Cc1nc2c(s1)COCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000927115628 759896428 /nfs/dbraw/zinc/89/64/28/759896428.db2.gz BFRXIOXNOJCUMS-AWEZNQCLSA-N 2 1 361.511 3.007 20 0 FGADMP COC[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)C(C)C ZINC000929810840 760460947 /nfs/dbraw/zinc/46/09/47/760460947.db2.gz YZEIZOOKBJFOLG-HXUWFJFHSA-N 2 1 353.595 3.033 20 0 FGADMP COC[C@@H](C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000929810840 760460952 /nfs/dbraw/zinc/46/09/52/760460952.db2.gz YZEIZOOKBJFOLG-HXUWFJFHSA-N 3 1 353.595 3.033 20 0 FGADMP COC[C@@H](C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(C)C ZINC000929810840 760460957 /nfs/dbraw/zinc/46/09/57/760460957.db2.gz YZEIZOOKBJFOLG-HXUWFJFHSA-N 3 1 353.595 3.033 20 0 FGADMP C[NH+](C)C1(C)CC[NH+](CCC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000931353029 760836627 /nfs/dbraw/zinc/83/66/27/760836627.db2.gz ANMIFLKRTVLFLB-UHFFFAOYSA-N 2 1 357.420 3.450 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)CC[NH2+]C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000935145207 761800682 /nfs/dbraw/zinc/80/06/82/761800682.db2.gz BVGCUGPOWHQQBY-KSSFIOAISA-N 2 1 369.912 3.366 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3c(C)cccc3Cl)C2)CC[N@H+]1C ZINC000968738542 762841729 /nfs/dbraw/zinc/84/17/29/762841729.db2.gz ZUNXIJGKFDLWMG-JTDSTZFVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+](C)Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000971568164 762914067 /nfs/dbraw/zinc/91/40/67/762914067.db2.gz WLIHBECUWUOMLS-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC000971568164 762914074 /nfs/dbraw/zinc/91/40/74/762914074.db2.gz WLIHBECUWUOMLS-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([N@@H+](C)Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC000971568164 762914076 /nfs/dbraw/zinc/91/40/76/762914076.db2.gz WLIHBECUWUOMLS-GBESFXJTSA-N 2 1 363.933 3.103 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(Cl)cc3)CC2(C)C)CC[N@@H+]1C ZINC000974604562 763035954 /nfs/dbraw/zinc/03/59/54/763035954.db2.gz GJWTWDCPQIWRNJ-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccc(Cl)cc3)CC2(C)C)CC[N@H+]1C ZINC000974604562 763035969 /nfs/dbraw/zinc/03/59/69/763035969.db2.gz GJWTWDCPQIWRNJ-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccc(Cl)cc3)CC2(C)C)CC[NH+]1C ZINC000974604562 763035976 /nfs/dbraw/zinc/03/59/76/763035976.db2.gz GJWTWDCPQIWRNJ-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H]1[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccc(Cl)cc3)CC2(C)C)CC[NH+]1C ZINC000974604562 763035988 /nfs/dbraw/zinc/03/59/88/763035988.db2.gz GJWTWDCPQIWRNJ-ZTFGCOKTSA-N 2 1 363.933 3.007 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196675 763464442 /nfs/dbraw/zinc/46/44/42/763464442.db2.gz QTQQMODPTFLUAE-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981196675 763464446 /nfs/dbraw/zinc/46/44/46/763464446.db2.gz QTQQMODPTFLUAE-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981196675 763464452 /nfs/dbraw/zinc/46/44/52/763464452.db2.gz QTQQMODPTFLUAE-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981196675 763464456 /nfs/dbraw/zinc/46/44/56/763464456.db2.gz QTQQMODPTFLUAE-FRQCXROJSA-N 2 1 363.933 3.276 20 0 FGADMP Cc1cc(C[NH+]2CC[C@@]3(NC(=O)[C@@H]4CC[N@@H+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790138 764562818 /nfs/dbraw/zinc/56/28/18/764562818.db2.gz KOTYBROTKRPOLF-UIXUWTQFSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790138 764562821 /nfs/dbraw/zinc/56/28/21/764562821.db2.gz KOTYBROTKRPOLF-UIXUWTQFSA-N 2 1 361.555 3.010 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@@]3(NC(=O)[C@@H]4CC[NH+](C)[C@@H]4C)CCC[C@@H]23)cs1 ZINC000990790138 764562829 /nfs/dbraw/zinc/56/28/29/764562829.db2.gz KOTYBROTKRPOLF-UIXUWTQFSA-N 2 1 361.555 3.010 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(Cl)c3)CC2)CC[N@H+]1C ZINC000996601934 765019564 /nfs/dbraw/zinc/01/95/64/765019564.db2.gz BZTZDLOQCDTDOE-RBUKOAKNSA-N 2 1 363.933 3.151 20 0 FGADMP CCC(CC)C[N@H+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000998014907 765091257 /nfs/dbraw/zinc/09/12/57/765091257.db2.gz AIJGDMPPEPMPCI-MISYRCLQSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000998014907 765091264 /nfs/dbraw/zinc/09/12/64/765091264.db2.gz AIJGDMPPEPMPCI-MISYRCLQSA-N 2 1 351.579 3.466 20 0 FGADMP CCC(CC)C[NH+]1CCC[C@@H](N(CC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000998014907 765091272 /nfs/dbraw/zinc/09/12/72/765091272.db2.gz AIJGDMPPEPMPCI-MISYRCLQSA-N 2 1 351.579 3.466 20 0 FGADMP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000998792040 765124402 /nfs/dbraw/zinc/12/44/02/765124402.db2.gz RALWIOYUXXCVQK-AGERRDQYSA-N 2 1 363.933 3.068 20 0 FGADMP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C2)c(Cl)c1 ZINC000999188430 765144752 /nfs/dbraw/zinc/14/47/52/765144752.db2.gz AMVFPWNPWUZNCE-BPQIPLTHSA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001002861094 765349570 /nfs/dbraw/zinc/34/95/70/765349570.db2.gz RYMTYHYOOIENDF-QMTMVMCOSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+][C@@H](C)c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001022106458 765974298 /nfs/dbraw/zinc/97/42/98/765974298.db2.gz JBSMYDPIRBHVRG-NUBKLNGGSA-N 2 1 363.933 3.368 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)CC[N@H+]1C ZINC001027892980 766104429 /nfs/dbraw/zinc/10/44/29/766104429.db2.gz JARRSAWGPMOOKP-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001027892980 766104432 /nfs/dbraw/zinc/10/44/32/766104432.db2.gz JARRSAWGPMOOKP-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC[NH+]1C ZINC001027892980 766104436 /nfs/dbraw/zinc/10/44/36/766104436.db2.gz JARRSAWGPMOOKP-CEXWTWQISA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cc(C)sc3C)C2)CC[N@H+]1C ZINC001033098070 766207441 /nfs/dbraw/zinc/20/74/41/766207441.db2.gz BJGMUYNDLOUTRQ-GBESFXJTSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001033098070 766207446 /nfs/dbraw/zinc/20/74/46/766207446.db2.gz BJGMUYNDLOUTRQ-GBESFXJTSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[N@@H+](Cc3cc(C)sc3C)C2)CC[NH+]1C ZINC001033098070 766207447 /nfs/dbraw/zinc/20/74/47/766207447.db2.gz BJGMUYNDLOUTRQ-GBESFXJTSA-N 2 1 363.571 3.128 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)sc2C)CC[N@H+]1C ZINC001034942732 766251776 /nfs/dbraw/zinc/25/17/76/766251776.db2.gz QPDCYUULDGYRLG-CEXWTWQISA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC001046330904 766585370 /nfs/dbraw/zinc/58/53/70/766585370.db2.gz WOOAQTNKFSTWON-NLWGTHIKSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001046330904 766585372 /nfs/dbraw/zinc/58/53/72/766585372.db2.gz WOOAQTNKFSTWON-NLWGTHIKSA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccc(Cl)cc3)C2)CC[NH+]1C ZINC001046330904 766585381 /nfs/dbraw/zinc/58/53/81/766585381.db2.gz WOOAQTNKFSTWON-NLWGTHIKSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]([NH2+][C@@H](CC(N)=O)c1ccccc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000293555311 257380037 /nfs/dbraw/zinc/38/00/37/257380037.db2.gz FLQSRXSSCODFFR-QMMLZNLJSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1ccc(CN(CC[NH+](C)C)C(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000570823040 505588880 /nfs/dbraw/zinc/58/88/80/505588880.db2.gz DGUXIMIAFZBERM-FQEVSTJZSA-N 2 1 369.509 3.000 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc3ccccc32)C1 ZINC000579703236 505605440 /nfs/dbraw/zinc/60/54/40/505605440.db2.gz GVXMKVCFYYKHFR-QUCCMNQESA-N 2 1 356.510 3.147 20 0 FGADMP Cc1ccccc1[C@@H](N)C(=O)Nc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000576940634 505629481 /nfs/dbraw/zinc/62/94/81/505629481.db2.gz VDGQXKDRXMLTML-LLGFUMIMSA-N 2 1 367.493 3.243 20 0 FGADMP c1nc(C2CCCCC2)sc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000571027681 505636705 /nfs/dbraw/zinc/63/67/05/505636705.db2.gz DPYVQRPUNUKROF-MSOLQXFVSA-N 2 1 361.555 3.391 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000571060786 505644297 /nfs/dbraw/zinc/64/42/97/505644297.db2.gz SQKLLSWWXBJPFL-MBOZVWFJSA-N 2 1 358.530 3.001 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2C[N@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000571060789 505644560 /nfs/dbraw/zinc/64/45/60/505644560.db2.gz SQKLLSWWXBJPFL-UWVAXJGDSA-N 2 1 358.530 3.001 20 0 FGADMP C[C@@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000579952999 505651663 /nfs/dbraw/zinc/65/16/63/505651663.db2.gz YTEHXAMIGVMPRK-YOEHRIQHSA-N 2 1 371.447 3.128 20 0 FGADMP CCOc1cc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2cc1OCC ZINC000573973608 505663772 /nfs/dbraw/zinc/66/37/72/505663772.db2.gz NHXZOTSKTRYQTL-UHFFFAOYSA-N 2 1 367.453 3.082 20 0 FGADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(C(F)(F)F)cc1 ZINC000577145425 505672528 /nfs/dbraw/zinc/67/25/28/505672528.db2.gz CRDGWYZHUTYJNR-HNNXBMFYSA-N 2 1 357.464 3.425 20 0 FGADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047969323 493767197 /nfs/dbraw/zinc/76/71/97/493767197.db2.gz TTXOBHDTQYGTEJ-UHFFFAOYSA-N 2 1 369.962 3.168 20 0 FGADMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OCc1cccnc1 ZINC000075734288 493774006 /nfs/dbraw/zinc/77/40/06/493774006.db2.gz KMLJRLIOEFFODV-UHFFFAOYSA-N 2 1 355.482 3.245 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860579 493787381 /nfs/dbraw/zinc/78/73/81/493787381.db2.gz DSLAFSALSJKZPC-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860579 493787385 /nfs/dbraw/zinc/78/73/85/493787385.db2.gz DSLAFSALSJKZPC-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860579 493787389 /nfs/dbraw/zinc/78/73/89/493787389.db2.gz DSLAFSALSJKZPC-INIZCTEOSA-N 2 1 367.921 3.483 20 0 FGADMP C[C@H](C1CC1)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000068299122 493792159 /nfs/dbraw/zinc/79/21/59/493792159.db2.gz PJMFNNMIGFMVJY-QGZVFWFLSA-N 2 1 355.526 3.030 20 0 FGADMP CC[N@H+](Cc1ccc(C(N)=O)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076154981 493833491 /nfs/dbraw/zinc/83/34/91/493833491.db2.gz WRENHBRAUOMSGL-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1ccc(C(N)=O)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076154981 493833493 /nfs/dbraw/zinc/83/34/93/493833493.db2.gz WRENHBRAUOMSGL-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP CC[NH+](Cc1ccc(C(N)=O)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076154981 493833496 /nfs/dbraw/zinc/83/34/96/493833496.db2.gz WRENHBRAUOMSGL-HXUWFJFHSA-N 2 1 351.494 3.130 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1cccs1 ZINC000050024754 493892457 /nfs/dbraw/zinc/89/24/57/493892457.db2.gz WIFFQQMRRGTFFD-ZWKOTPCHSA-N 2 1 357.523 3.132 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccsc1 ZINC000050029688 493893081 /nfs/dbraw/zinc/89/30/81/493893081.db2.gz PQBLHAJPSWWISD-OALUTQOASA-N 2 1 357.523 3.132 20 0 FGADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081615086 493930978 /nfs/dbraw/zinc/93/09/78/493930978.db2.gz NBDBPEGKFWYPPB-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000081615086 493930982 /nfs/dbraw/zinc/93/09/82/493930982.db2.gz NBDBPEGKFWYPPB-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000081615086 493930986 /nfs/dbraw/zinc/93/09/86/493930986.db2.gz NBDBPEGKFWYPPB-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000081615086 493930989 /nfs/dbraw/zinc/93/09/89/493930989.db2.gz NBDBPEGKFWYPPB-ICSRJNTNSA-N 2 1 361.505 3.027 20 0 FGADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630950 493933223 /nfs/dbraw/zinc/93/32/23/493933223.db2.gz FWNIVXWEDBMQSG-GOSISDBHSA-N 2 1 354.498 3.333 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630950 493933225 /nfs/dbraw/zinc/93/32/25/493933225.db2.gz FWNIVXWEDBMQSG-GOSISDBHSA-N 2 1 354.498 3.333 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630950 493933226 /nfs/dbraw/zinc/93/32/26/493933226.db2.gz FWNIVXWEDBMQSG-GOSISDBHSA-N 2 1 354.498 3.333 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000081630950 493933228 /nfs/dbraw/zinc/93/32/28/493933228.db2.gz FWNIVXWEDBMQSG-GOSISDBHSA-N 2 1 354.498 3.333 20 0 FGADMP COC(=O)c1oc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1C ZINC000574084885 505689746 /nfs/dbraw/zinc/68/97/46/505689746.db2.gz USCYTMBUYMFYJA-RTBURBONSA-N 2 1 368.477 3.329 20 0 FGADMP O=C([C@H]1CCC[N@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000081795605 493955405 /nfs/dbraw/zinc/95/54/05/493955405.db2.gz PAKVQJWDQVWNTI-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[N@@H+]1Cc1ccc(F)cc1)N1CCC[NH+](C2CCCC2)CC1 ZINC000081795605 493955407 /nfs/dbraw/zinc/95/54/07/493955407.db2.gz PAKVQJWDQVWNTI-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000081795605 493955408 /nfs/dbraw/zinc/95/54/08/493955408.db2.gz PAKVQJWDQVWNTI-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP O=C([C@H]1CCC[NH+]1Cc1ccc(F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000081795605 493955410 /nfs/dbraw/zinc/95/54/10/493955410.db2.gz PAKVQJWDQVWNTI-OAQYLSRUSA-N 2 1 373.516 3.267 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)Cc2ccc(Cl)cc2)CC1 ZINC000076732666 493961155 /nfs/dbraw/zinc/96/11/55/493961155.db2.gz QHMLESVTFFLBOC-MRXNPFEDSA-N 2 1 365.949 3.192 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC1 ZINC000069729264 494003099 /nfs/dbraw/zinc/00/30/99/494003099.db2.gz XXSANSYRMJNZAZ-QGZVFWFLSA-N 2 1 364.559 3.011 20 0 FGADMP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)N1CC[NH+](C2CC2)CC1 ZINC000077202445 494031357 /nfs/dbraw/zinc/03/13/57/494031357.db2.gz QMVQVXJIPHMLOX-UHFFFAOYSA-N 2 1 356.514 3.027 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc2c1ccn2C ZINC000077203507 494032615 /nfs/dbraw/zinc/03/26/15/494032615.db2.gz KUFOCUZCLVUHMT-KRWDZBQOSA-N 2 1 371.529 3.058 20 0 FGADMP C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000077574901 494118672 /nfs/dbraw/zinc/11/86/72/494118672.db2.gz SACSTQAPCCWYDC-YBVXAUJNSA-N 2 1 372.557 3.164 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085424743 494124262 /nfs/dbraw/zinc/12/42/62/494124262.db2.gz KEQWNOKYGJGHFC-KRWDZBQOSA-N 2 1 354.583 3.116 20 0 FGADMP O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000072094579 494127191 /nfs/dbraw/zinc/12/71/91/494127191.db2.gz RFTPKPBETZRLOU-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)cc1 ZINC000086393637 494151342 /nfs/dbraw/zinc/15/13/42/494151342.db2.gz GIGWGMXOIXSEND-GJZGRUSLSA-N 2 1 355.486 3.024 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000086393637 494151345 /nfs/dbraw/zinc/15/13/45/494151345.db2.gz GIGWGMXOIXSEND-GJZGRUSLSA-N 2 1 355.486 3.024 20 0 FGADMP C[NH+](CCCNC(=O)NCC[N@H+](C)Cc1ccccc1)C1CCCCC1 ZINC000065542409 494212139 /nfs/dbraw/zinc/21/21/39/494212139.db2.gz BZGOADWIYFLPCJ-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP C[NH+](CCNC(=O)NCCC[N@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000065542409 494212141 /nfs/dbraw/zinc/21/21/41/494212141.db2.gz BZGOADWIYFLPCJ-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP C[NH+](CCNC(=O)NCCC[N@@H+](C)C1CCCCC1)Cc1ccccc1 ZINC000065542409 494212143 /nfs/dbraw/zinc/21/21/43/494212143.db2.gz BZGOADWIYFLPCJ-UHFFFAOYSA-N 2 1 360.546 3.072 20 0 FGADMP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000072811587 494256304 /nfs/dbraw/zinc/25/63/04/494256304.db2.gz HLDKYEHYTVSBRP-UHFFFAOYSA-N 2 1 369.513 3.096 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000089444711 494307998 /nfs/dbraw/zinc/30/79/98/494307998.db2.gz IYAWKQOBWZUCRK-LJQANCHMSA-N 2 1 374.529 3.077 20 0 FGADMP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCCC1 ZINC000078524422 494313360 /nfs/dbraw/zinc/31/33/60/494313360.db2.gz RLEMMDVULOKAFP-VQTJNVASSA-N 2 1 366.594 3.307 20 0 FGADMP COCC[NH+]1CCC([NH2+]C[C@H](C)CSc2ccccc2OC)CC1 ZINC000089515547 494319791 /nfs/dbraw/zinc/31/97/91/494319791.db2.gz RISPSYXDDWYICV-INIZCTEOSA-N 2 1 352.544 3.124 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000073213072 494338812 /nfs/dbraw/zinc/33/88/12/494338812.db2.gz JDZSQBOWEJILFI-GBESFXJTSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000073213072 494338815 /nfs/dbraw/zinc/33/88/15/494338815.db2.gz JDZSQBOWEJILFI-GBESFXJTSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000073213072 494338818 /nfs/dbraw/zinc/33/88/18/494338818.db2.gz JDZSQBOWEJILFI-GBESFXJTSA-N 2 1 352.567 3.013 20 0 FGADMP Cc1nc2ccc(C(=O)Nc3c[nH+]ccc3N3CC[NH+](C)CC3)cc2s1 ZINC000571374107 505717321 /nfs/dbraw/zinc/71/73/21/505717321.db2.gz MEIKSOACNVUKMZ-UHFFFAOYSA-N 2 1 367.478 3.004 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC1 ZINC000073621038 494400902 /nfs/dbraw/zinc/40/09/02/494400902.db2.gz ZYPMALHRFVCKBD-UHFFFAOYSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000079116365 494405649 /nfs/dbraw/zinc/40/56/49/494405649.db2.gz YCODHHFPRMAUCN-SFHVURJKSA-N 2 1 352.567 3.110 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004361 494426989 /nfs/dbraw/zinc/42/69/89/494426989.db2.gz HNSHLVQRSJGSNW-JKSUJKDBSA-N 2 1 372.538 3.424 20 0 FGADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000090004361 494426994 /nfs/dbraw/zinc/42/69/94/494426994.db2.gz HNSHLVQRSJGSNW-JKSUJKDBSA-N 2 1 372.538 3.424 20 0 FGADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C(=O)NCC(F)(F)F ZINC000079303761 494433430 /nfs/dbraw/zinc/43/34/30/494433430.db2.gz USPFKVJOZNSJTK-CABCVRRESA-N 2 1 371.447 3.218 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079393441 494445809 /nfs/dbraw/zinc/44/58/09/494445809.db2.gz DGNFDRFATFBHSL-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000079393441 494445812 /nfs/dbraw/zinc/44/58/12/494445812.db2.gz DGNFDRFATFBHSL-FQEVSTJZSA-N 2 1 372.557 3.168 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)Cc2ccccc2)CC1 ZINC000066960827 494446056 /nfs/dbraw/zinc/44/60/56/494446056.db2.gz ZZMHPFXPXXJWCY-IBGZPJMESA-N 2 1 359.558 3.477 20 0 FGADMP C[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccc(Cl)c2)CC1 ZINC000073923426 494450440 /nfs/dbraw/zinc/45/04/40/494450440.db2.gz WPEGGXWABCHCID-PKOBYXMFSA-N 2 1 363.933 3.181 20 0 FGADMP COc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000090526045 494478000 /nfs/dbraw/zinc/47/80/00/494478000.db2.gz KWDMUCOTORHKKL-ACRUOGEOSA-N 2 1 374.525 3.266 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCCC[C@@H]3O)CC1)CCCO2 ZINC000090526043 494478472 /nfs/dbraw/zinc/47/84/72/494478472.db2.gz KWDMUCOTORHKKL-HKBOAZHASA-N 2 1 374.525 3.266 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000074299758 494513931 /nfs/dbraw/zinc/51/39/31/494513931.db2.gz BDNNZTPQHRGFQA-UIFIKXQLSA-N 2 1 370.541 3.090 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000074323166 494519984 /nfs/dbraw/zinc/51/99/84/494519984.db2.gz FRANBFANEKAZFT-FGZHOGPDSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000074323166 494519987 /nfs/dbraw/zinc/51/99/87/494519987.db2.gz FRANBFANEKAZFT-FGZHOGPDSA-N 2 1 369.553 3.089 20 0 FGADMP C[NH+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000074323166 494519992 /nfs/dbraw/zinc/51/99/92/494519992.db2.gz FRANBFANEKAZFT-FGZHOGPDSA-N 2 1 369.553 3.089 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000580303471 505727897 /nfs/dbraw/zinc/72/78/97/505727897.db2.gz BFNJKAOVUVCYDE-NRFANRHFSA-N 2 1 369.553 3.376 20 0 FGADMP CC[NH+]1CCC(CCNC(=O)N2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000074714757 494582328 /nfs/dbraw/zinc/58/23/28/494582328.db2.gz DZKIWAOPTJYZLY-NRFANRHFSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)C[C@H](C)O1 ZINC000121103600 494596532 /nfs/dbraw/zinc/59/65/32/494596532.db2.gz XMQFXLVLQYMZJE-OQZLWFJBSA-N 2 1 370.537 3.343 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000115789804 494622061 /nfs/dbraw/zinc/62/20/61/494622061.db2.gz PNCRFDZDRROVNU-SFHVURJKSA-N 2 1 360.546 3.012 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC000580317771 505731857 /nfs/dbraw/zinc/73/18/57/505731857.db2.gz CJRABLHUUVPDIR-FQEVSTJZSA-N 2 1 368.525 3.125 20 0 FGADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(Br)c(F)c1 ZINC000131461865 494628014 /nfs/dbraw/zinc/62/80/14/494628014.db2.gz TYCAZXGRUACGIM-CQSZACIVSA-N 2 1 372.326 3.266 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000107977353 494630296 /nfs/dbraw/zinc/63/02/96/494630296.db2.gz JREKYOHWFLBRLJ-BGYRXZFFSA-N 2 1 366.594 3.166 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NCC2CC[NH+](CCC(C)C)CC2)C1 ZINC000080217325 494642156 /nfs/dbraw/zinc/64/21/56/494642156.db2.gz JYEBDKRWLIAUJQ-HXUWFJFHSA-N 2 1 366.594 3.118 20 0 FGADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588036 494681073 /nfs/dbraw/zinc/68/10/73/494681073.db2.gz ZXQCVFFNHNUERG-AZUAARDMSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588036 494681083 /nfs/dbraw/zinc/68/10/83/494681083.db2.gz ZXQCVFFNHNUERG-AZUAARDMSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588036 494681091 /nfs/dbraw/zinc/68/10/91/494681091.db2.gz ZXQCVFFNHNUERG-AZUAARDMSA-N 2 1 353.514 3.354 20 0 FGADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(-n3cncn3)cc2)C1 ZINC000092588036 494681099 /nfs/dbraw/zinc/68/10/99/494681099.db2.gz ZXQCVFFNHNUERG-AZUAARDMSA-N 2 1 353.514 3.354 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000121313649 494696607 /nfs/dbraw/zinc/69/66/07/494696607.db2.gz MHMUYOFMZXBCCZ-RBUKOAKNSA-N 2 1 363.933 3.322 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)cc2)CC1 ZINC000121313649 494696611 /nfs/dbraw/zinc/69/66/11/494696611.db2.gz MHMUYOFMZXBCCZ-RBUKOAKNSA-N 2 1 363.933 3.322 20 0 FGADMP CC[C@@H](C(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](C)C ZINC000126337274 494716705 /nfs/dbraw/zinc/71/67/05/494716705.db2.gz DOJBUHQBGQWKNN-KRWDZBQOSA-N 2 1 371.447 3.080 20 0 FGADMP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1)[NH+](C)C ZINC000126337274 494716715 /nfs/dbraw/zinc/71/67/15/494716715.db2.gz DOJBUHQBGQWKNN-KRWDZBQOSA-N 2 1 371.447 3.080 20 0 FGADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000131791287 494731584 /nfs/dbraw/zinc/73/15/84/494731584.db2.gz IDGFJIBUHDCAEG-YOEHRIQHSA-N 2 1 357.479 3.284 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000080610646 494744237 /nfs/dbraw/zinc/74/42/37/494744237.db2.gz DLSBODCLJPERRD-MOPGFXCFSA-N 2 1 373.566 3.357 20 0 FGADMP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821545 494764038 /nfs/dbraw/zinc/76/40/38/494764038.db2.gz OVDDJOGWXNWGFL-GOSISDBHSA-N 2 1 358.530 3.021 20 0 FGADMP C[C@@H](CCNC(=O)NC1CCC(C[NH+](C)C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000121486484 494777458 /nfs/dbraw/zinc/77/74/58/494777458.db2.gz BUBXWFXHBYGDSK-PELRDEGISA-N 2 1 374.573 3.317 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000121485379 494777875 /nfs/dbraw/zinc/77/78/75/494777875.db2.gz UUNINCNQEZCZIN-MRXNPFEDSA-N 2 1 351.560 3.369 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2cccs2)CC1 ZINC000121485379 494777882 /nfs/dbraw/zinc/77/78/82/494777882.db2.gz UUNINCNQEZCZIN-MRXNPFEDSA-N 2 1 351.560 3.369 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121494455 494780828 /nfs/dbraw/zinc/78/08/28/494780828.db2.gz ZDBFHAWZILSZTO-CTNGQTDRSA-N 2 1 359.558 3.166 20 0 FGADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000092165927 494803193 /nfs/dbraw/zinc/80/31/93/494803193.db2.gz NIZKNOJYTJVVDO-UHFFFAOYSA-N 2 1 370.497 3.154 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)CC1 ZINC000092165927 494803198 /nfs/dbraw/zinc/80/31/98/494803198.db2.gz NIZKNOJYTJVVDO-UHFFFAOYSA-N 2 1 370.497 3.154 20 0 FGADMP CCCC[N@@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000116551182 494813228 /nfs/dbraw/zinc/81/32/28/494813228.db2.gz MKCBETNCGFGHOH-SFHVURJKSA-N 2 1 360.546 3.243 20 0 FGADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000093088145 494824580 /nfs/dbraw/zinc/82/45/80/494824580.db2.gz UTZLVUOXZOAWTG-UHFFFAOYSA-N 2 1 357.542 3.231 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000093088145 494824585 /nfs/dbraw/zinc/82/45/85/494824585.db2.gz UTZLVUOXZOAWTG-UHFFFAOYSA-N 2 1 357.542 3.231 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(OC4CCCC4)c3)C2)CC1 ZINC000093132768 494831207 /nfs/dbraw/zinc/83/12/07/494831207.db2.gz YEMMRKFMXQFYBL-HXUWFJFHSA-N 2 1 357.542 3.220 20 0 FGADMP CC[N@@H+](CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000132200404 494837464 /nfs/dbraw/zinc/83/74/64/494837464.db2.gz DNDMGXDZUFUTJH-UHFFFAOYSA-N 2 1 363.933 3.153 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CCOC[C@@H]4CCCO4)[C@@H]3C2)cc1 ZINC000580392830 505748011 /nfs/dbraw/zinc/74/80/11/505748011.db2.gz YYBBTMBGCWWUIT-GPJHCHHRSA-N 2 1 372.553 3.462 20 0 FGADMP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121942469 494895116 /nfs/dbraw/zinc/89/51/16/494895116.db2.gz PCPNQFZGYUEPPP-HNNXBMFYSA-N 2 1 350.532 3.058 20 0 FGADMP CC[NH+](CC)[C@H](C(=O)N1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000121976639 494902223 /nfs/dbraw/zinc/90/22/23/494902223.db2.gz GXISAXRZOUXRAM-NRFANRHFSA-N 2 1 368.525 3.284 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCN1C ZINC000093644491 494907436 /nfs/dbraw/zinc/90/74/36/494907436.db2.gz HJWOZGZJQIPPEC-NQIIRXRSSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000093644491 494907438 /nfs/dbraw/zinc/90/74/38/494907438.db2.gz HJWOZGZJQIPPEC-NQIIRXRSSA-N 2 1 358.574 3.132 20 0 FGADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[N@H+]1C ZINC000093644491 494907441 /nfs/dbraw/zinc/90/74/41/494907441.db2.gz HJWOZGZJQIPPEC-NQIIRXRSSA-N 2 1 358.574 3.132 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683861 494911119 /nfs/dbraw/zinc/91/11/19/494911119.db2.gz INWSQZIMXRHQQY-KRWDZBQOSA-N 2 1 354.498 3.393 20 0 FGADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683861 494911124 /nfs/dbraw/zinc/91/11/24/494911124.db2.gz INWSQZIMXRHQQY-KRWDZBQOSA-N 2 1 354.498 3.393 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000109787471 494918357 /nfs/dbraw/zinc/91/83/57/494918357.db2.gz SWJDNDZXUVZFSA-UHFFFAOYSA-N 2 1 367.921 3.483 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1OC(F)F ZINC000132923205 494943940 /nfs/dbraw/zinc/94/39/40/494943940.db2.gz MXHZHCYXUKVXRL-HUUCEWRRSA-N 2 1 354.441 3.440 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122342341 494960300 /nfs/dbraw/zinc/96/03/00/494960300.db2.gz RBHRKOTYKSPADZ-XHBSWPGZSA-N 2 1 353.304 3.202 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000122342341 494960302 /nfs/dbraw/zinc/96/03/02/494960302.db2.gz RBHRKOTYKSPADZ-XHBSWPGZSA-N 2 1 353.304 3.202 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COc2ccccc2)cc1 ZINC000127899665 495014580 /nfs/dbraw/zinc/01/45/80/495014580.db2.gz VJSVSJINFCASCI-UZLBHIALSA-N 2 1 351.450 3.271 20 0 FGADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914962 495021044 /nfs/dbraw/zinc/02/10/44/495021044.db2.gz DLJIGZZCJHDERH-QFIPXVFZSA-N 2 1 365.521 3.414 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914962 495021048 /nfs/dbraw/zinc/02/10/48/495021048.db2.gz DLJIGZZCJHDERH-QFIPXVFZSA-N 2 1 365.521 3.414 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914962 495021053 /nfs/dbraw/zinc/02/10/53/495021053.db2.gz DLJIGZZCJHDERH-QFIPXVFZSA-N 2 1 365.521 3.414 20 0 FGADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](Cc2ccccc2)CC1)c1ccccc1 ZINC000110914962 495021055 /nfs/dbraw/zinc/02/10/55/495021055.db2.gz DLJIGZZCJHDERH-QFIPXVFZSA-N 2 1 365.521 3.414 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3ccc([S@](C)=O)cc3)CC2)[nH+]1 ZINC000128182186 495056893 /nfs/dbraw/zinc/05/68/93/495056893.db2.gz QWBSZUBEVDUSGW-PUAOIOHZSA-N 2 1 357.523 3.447 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(Cl)c3Cl)C1 ZINC000128214064 495062037 /nfs/dbraw/zinc/06/20/37/495062037.db2.gz HHTAAFATVPADDF-BLLLJJGKSA-N 2 1 370.324 3.158 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000111611983 495090220 /nfs/dbraw/zinc/09/02/20/495090220.db2.gz JGERSMHFWKRSNY-XDNAFOTISA-N 2 1 359.514 3.280 20 0 FGADMP C[C@H](c1ccc(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)cc1)[NH+]1CCOCC1 ZINC000111611983 495090224 /nfs/dbraw/zinc/09/02/24/495090224.db2.gz JGERSMHFWKRSNY-XDNAFOTISA-N 2 1 359.514 3.280 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134127976 495110155 /nfs/dbraw/zinc/11/01/55/495110155.db2.gz XPHNURYAVGWQGX-NRFANRHFSA-N 2 1 358.574 3.181 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000134127976 495110159 /nfs/dbraw/zinc/11/01/59/495110159.db2.gz XPHNURYAVGWQGX-NRFANRHFSA-N 2 1 358.574 3.181 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000128694946 495136742 /nfs/dbraw/zinc/13/67/42/495136742.db2.gz UGSRHLADJHLEPG-QUCCMNQESA-N 2 1 364.578 3.157 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000128725299 495140985 /nfs/dbraw/zinc/14/09/85/495140985.db2.gz HFDXRQWAJZELAB-SQNIBIBYSA-N 2 1 364.534 3.034 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)CCCC[NH+](C)C)C2)s1 ZINC000580455381 505763859 /nfs/dbraw/zinc/76/38/59/505763859.db2.gz DNHAFEXSLVIMBP-KRWDZBQOSA-N 2 1 351.560 3.069 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)c1 ZINC000128780575 495148872 /nfs/dbraw/zinc/14/88/72/495148872.db2.gz NLUJPVDTLALLRT-NRFANRHFSA-N 2 1 374.573 3.306 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000128780575 495148874 /nfs/dbraw/zinc/14/88/74/495148874.db2.gz NLUJPVDTLALLRT-NRFANRHFSA-N 2 1 374.573 3.306 20 0 FGADMP CC[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000128780575 495148877 /nfs/dbraw/zinc/14/88/77/495148877.db2.gz NLUJPVDTLALLRT-NRFANRHFSA-N 2 1 374.573 3.306 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000119421198 495163484 /nfs/dbraw/zinc/16/34/84/495163484.db2.gz ZGIWLDGWUXWFFY-KBPBESRZSA-N 2 1 365.905 3.140 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cccc(OCc3ccccc3)c2)CC[N@H+]1C ZINC000123633231 495163697 /nfs/dbraw/zinc/16/36/97/495163697.db2.gz BCEHNENLPBYUSN-ZNLUXHQJSA-N 2 1 354.494 3.371 20 0 FGADMP CCN(C(=O)NC1CC[NH+](CC)CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000134652588 495181902 /nfs/dbraw/zinc/18/19/02/495181902.db2.gz ZVYVLHLFCNIPQE-RXVVDRJESA-N 2 1 372.557 3.338 20 0 FGADMP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000134791238 495202060 /nfs/dbraw/zinc/20/20/60/495202060.db2.gz FYYSUHXYIYWJSA-QGZVFWFLSA-N 2 1 351.494 3.176 20 0 FGADMP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@H+]1CCc2ccccc2C1 ZINC000134791238 495202064 /nfs/dbraw/zinc/20/20/64/495202064.db2.gz FYYSUHXYIYWJSA-QGZVFWFLSA-N 2 1 351.494 3.176 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(OCc2nccn2C)cc1 ZINC000119666602 495213247 /nfs/dbraw/zinc/21/32/47/495213247.db2.gz JRFLGPBWJWQDOW-MRXNPFEDSA-N 2 1 354.498 3.277 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119760040 495235187 /nfs/dbraw/zinc/23/51/87/495235187.db2.gz SBBPGSYGNYDTRT-IRLDBZIGSA-N 2 1 365.521 3.447 20 0 FGADMP CN(C(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111619 495251961 /nfs/dbraw/zinc/25/19/61/495251961.db2.gz IJYJYOPXHWDJNH-OAQYLSRUSA-N 2 1 365.521 3.493 20 0 FGADMP CN(C(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111619 495251964 /nfs/dbraw/zinc/25/19/64/495251964.db2.gz IJYJYOPXHWDJNH-OAQYLSRUSA-N 2 1 365.521 3.493 20 0 FGADMP CN(C(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000135111619 495251967 /nfs/dbraw/zinc/25/19/67/495251967.db2.gz IJYJYOPXHWDJNH-OAQYLSRUSA-N 2 1 365.521 3.493 20 0 FGADMP COCOc1ccc(OC)cc1C[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000119837647 495252189 /nfs/dbraw/zinc/25/21/89/495252189.db2.gz RWDQFFNAWXZJLG-UHFFFAOYSA-N 2 1 371.481 3.140 20 0 FGADMP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000129511698 495255518 /nfs/dbraw/zinc/25/55/18/495255518.db2.gz ZHGPVWIBOJJGLT-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+](C)Cc1ccco1 ZINC000129511698 495255521 /nfs/dbraw/zinc/25/55/21/495255521.db2.gz ZHGPVWIBOJJGLT-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000129511698 495255524 /nfs/dbraw/zinc/25/55/24/495255524.db2.gz ZHGPVWIBOJJGLT-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000129511698 495255527 /nfs/dbraw/zinc/25/55/27/495255527.db2.gz ZHGPVWIBOJJGLT-OAQYLSRUSA-N 2 1 369.509 3.402 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000113364808 495299848 /nfs/dbraw/zinc/29/98/48/495299848.db2.gz CIUGHQPAGCGQMV-NRFANRHFSA-N 2 1 372.557 3.215 20 0 FGADMP c1csc(-c2nn(-c3ccccc3)cc2C[NH2+]C[C@H]2C[NH2+]CCCO2)c1 ZINC000571623233 505775402 /nfs/dbraw/zinc/77/54/02/505775402.db2.gz RXPDHJBBVVXSRB-GOSISDBHSA-N 2 1 368.506 3.069 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000105118876 495338772 /nfs/dbraw/zinc/33/87/72/495338772.db2.gz NUEVRUNJRUADJC-NRFANRHFSA-N 2 1 374.573 3.448 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000568789890 505777507 /nfs/dbraw/zinc/77/75/07/505777507.db2.gz MMDGMCJCBGSHAK-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000568789890 505777511 /nfs/dbraw/zinc/77/75/11/505777511.db2.gz MMDGMCJCBGSHAK-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000568789890 505777514 /nfs/dbraw/zinc/77/75/14/505777514.db2.gz MMDGMCJCBGSHAK-JTHBVZDNSA-N 2 1 369.553 3.376 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000114475849 495380458 /nfs/dbraw/zinc/38/04/58/495380458.db2.gz WHPONAMPNIYZAR-UHFFFAOYSA-N 2 1 367.484 3.025 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130364565 495380906 /nfs/dbraw/zinc/38/09/06/495380906.db2.gz RFGCSPFCUUCGMI-IRXDYDNUSA-N 2 1 356.514 3.342 20 0 FGADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130364565 495380907 /nfs/dbraw/zinc/38/09/07/495380907.db2.gz RFGCSPFCUUCGMI-IRXDYDNUSA-N 2 1 356.514 3.342 20 0 FGADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000125097253 495390629 /nfs/dbraw/zinc/39/06/29/495390629.db2.gz NXEHSNNKFZLKHW-ICSRJNTNSA-N 2 1 358.530 3.313 20 0 FGADMP Cc1[nH+]ccn1CCCN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000130582820 495414611 /nfs/dbraw/zinc/41/46/11/495414611.db2.gz PHCNEPVKJOFIGZ-UHFFFAOYSA-N 2 1 354.454 3.162 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000140973341 495501035 /nfs/dbraw/zinc/50/10/35/495501035.db2.gz YNYFLYWXZLNVPZ-GOSISDBHSA-N 2 1 360.546 3.060 20 0 FGADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000580561811 505786475 /nfs/dbraw/zinc/78/64/75/505786475.db2.gz YEFQYOSKCGVSHM-HNNXBMFYSA-N 2 1 352.548 3.482 20 0 FGADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000125921972 495519342 /nfs/dbraw/zinc/51/93/42/495519342.db2.gz ATXOWAFSTWXXDE-DYVFJYSZSA-N 2 1 358.523 3.246 20 0 FGADMP C[C@H](NC(=O)NCc1ccc(C[NH+](C)C)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000182374087 495536918 /nfs/dbraw/zinc/53/69/18/495536918.db2.gz MHUNPQIFYCLXTF-PXNSSMCTSA-N 2 1 372.557 3.200 20 0 FGADMP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000170627308 495538435 /nfs/dbraw/zinc/53/84/35/495538435.db2.gz OLSQMMBRZNVEID-CTNGQTDRSA-N 2 1 357.542 3.260 20 0 FGADMP O=C([C@H]1CCCCC[NH2+]1)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000580569167 505788017 /nfs/dbraw/zinc/78/80/17/505788017.db2.gz CAGDHRGXVOFXQE-IFMALSPDSA-N 2 1 355.526 3.033 20 0 FGADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000158602745 495547559 /nfs/dbraw/zinc/54/75/59/495547559.db2.gz VTEOPPWOOYDSEC-KSZLIROESA-N 2 1 356.518 3.071 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158660257 495561264 /nfs/dbraw/zinc/56/12/64/495561264.db2.gz ZIWIWOOZNSGNLR-XHSDSOJGSA-N 2 1 370.534 3.248 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000158660257 495561271 /nfs/dbraw/zinc/56/12/71/495561271.db2.gz ZIWIWOOZNSGNLR-XHSDSOJGSA-N 2 1 370.534 3.248 20 0 FGADMP C[C@@H](NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1cc2ccccc2o1 ZINC000158763036 495583740 /nfs/dbraw/zinc/58/37/40/495583740.db2.gz BXKGZGGPLCMCHF-UKBAYJJMSA-N 2 1 369.509 3.415 20 0 FGADMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179444599 495593686 /nfs/dbraw/zinc/59/36/86/495593686.db2.gz ANQLWLUSIVKACW-INIZCTEOSA-N 2 1 374.451 3.095 20 0 FGADMP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000179444599 495593691 /nfs/dbraw/zinc/59/36/91/495593691.db2.gz ANQLWLUSIVKACW-INIZCTEOSA-N 2 1 374.451 3.095 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853091 505793371 /nfs/dbraw/zinc/79/33/71/505793371.db2.gz XIBYGXCTMGQMAC-MOPGFXCFSA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853091 505793374 /nfs/dbraw/zinc/79/33/74/505793374.db2.gz XIBYGXCTMGQMAC-MOPGFXCFSA-N 2 1 374.550 3.250 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)COc3ccccc3)C2)s1 ZINC000568853091 505793377 /nfs/dbraw/zinc/79/33/77/505793377.db2.gz XIBYGXCTMGQMAC-MOPGFXCFSA-N 2 1 374.550 3.250 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000176492941 495671868 /nfs/dbraw/zinc/67/18/68/495671868.db2.gz VLMLSUBBPIHLFI-IBGZPJMESA-N 2 1 364.578 3.299 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680048 495677187 /nfs/dbraw/zinc/67/71/87/495677187.db2.gz MJENWZQSPKOPDI-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP C[C@@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185680048 495677192 /nfs/dbraw/zinc/67/71/92/495677192.db2.gz MJENWZQSPKOPDI-ZIAGYGMSSA-N 2 1 351.441 3.146 20 0 FGADMP CC(C)C[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154643154 495682583 /nfs/dbraw/zinc/68/25/83/495682583.db2.gz JFNWQPRPUIXGSC-LJQANCHMSA-N 2 1 350.522 3.467 20 0 FGADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3nc4cc(F)ccc4o3)CC2)C[C@H](C)O1 ZINC000150968932 495697727 /nfs/dbraw/zinc/69/77/27/495697727.db2.gz VDRXDCBXZCDKEM-GJZGRUSLSA-N 2 1 361.461 3.288 20 0 FGADMP CCCCNC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159309771 495707011 /nfs/dbraw/zinc/70/70/11/495707011.db2.gz LPDNBCSUMMXNJL-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159309771 495707015 /nfs/dbraw/zinc/70/70/15/495707015.db2.gz LPDNBCSUMMXNJL-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP CCCCNC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159309771 495707019 /nfs/dbraw/zinc/70/70/19/495707019.db2.gz LPDNBCSUMMXNJL-NHCUHLMSSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@@H+]1C ZINC000182817831 495715128 /nfs/dbraw/zinc/71/51/28/495715128.db2.gz BTIRCVOJKWGJPO-ZBFHGGJFSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[N@H+]1C ZINC000182817831 495715130 /nfs/dbraw/zinc/71/51/30/495715130.db2.gz BTIRCVOJKWGJPO-ZBFHGGJFSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817831 495715135 /nfs/dbraw/zinc/71/51/35/495715135.db2.gz BTIRCVOJKWGJPO-ZBFHGGJFSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cc(Cl)c3c(c2)OCCCO3)CC[NH+]1C ZINC000182817831 495715140 /nfs/dbraw/zinc/71/51/40/495715140.db2.gz BTIRCVOJKWGJPO-ZBFHGGJFSA-N 2 1 352.906 3.458 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000151171528 495761500 /nfs/dbraw/zinc/76/15/00/495761500.db2.gz LIUZOIQPATYTBB-KRWDZBQOSA-N 2 1 361.574 3.268 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000151171528 495761504 /nfs/dbraw/zinc/76/15/04/495761504.db2.gz LIUZOIQPATYTBB-KRWDZBQOSA-N 2 1 361.574 3.268 20 0 FGADMP CCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959987 495765575 /nfs/dbraw/zinc/76/55/75/495765575.db2.gz XOUBKMOVRCCLNC-GOSISDBHSA-N 2 1 373.541 3.153 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2N2CCOCC2)[C@H]2CCC[C@H]21 ZINC000577847183 505803911 /nfs/dbraw/zinc/80/39/11/505803911.db2.gz ZSZDVIOSQMDUFZ-WSTZPKSXSA-N 2 1 363.933 3.139 20 0 FGADMP CC(C)Cn1ccnc1CNC(=O)N[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000577855213 505805694 /nfs/dbraw/zinc/80/56/94/505805694.db2.gz JRNHUPUKZRLWNG-NRFANRHFSA-N 2 1 369.513 3.003 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N(C)C)[C@H](C)C1 ZINC000155064071 495821954 /nfs/dbraw/zinc/82/19/54/495821954.db2.gz BATCTUAGZLKHLL-SQNIBIBYSA-N 2 1 353.576 3.077 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155070136 495823341 /nfs/dbraw/zinc/82/33/41/495823341.db2.gz HZWNWDRQKBWUMF-CTNGQTDRSA-N 2 1 374.573 3.413 20 0 FGADMP CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CC1 ZINC000174116502 495826111 /nfs/dbraw/zinc/82/61/11/495826111.db2.gz RRIIJUYKNLOLLH-HXUWFJFHSA-N 2 1 357.542 3.420 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CCc3ccccc32)cc1 ZINC000183136086 495849256 /nfs/dbraw/zinc/84/92/56/495849256.db2.gz BTLOAFBYLGJUHG-MRXNPFEDSA-N 2 1 360.461 3.421 20 0 FGADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174214505 495866686 /nfs/dbraw/zinc/86/66/86/495866686.db2.gz MSQOHRSDSBFKPN-CQSZACIVSA-N 2 1 355.885 3.471 20 0 FGADMP CC[N@@H+](CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1)C(C)C ZINC000151548140 495873808 /nfs/dbraw/zinc/87/38/08/495873808.db2.gz LEJWZPGFENNMPA-VQTJNVASSA-N 2 1 369.513 3.141 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000571768761 505810828 /nfs/dbraw/zinc/81/08/28/505810828.db2.gz NNUZOZQFEOXFIH-FDFHNCONSA-N 2 1 371.569 3.429 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000571768764 505811012 /nfs/dbraw/zinc/81/10/12/505811012.db2.gz NNUZOZQFEOXFIH-YPAWHYETSA-N 2 1 371.569 3.429 20 0 FGADMP C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccc(Cl)cc1 ZINC000571773781 505812276 /nfs/dbraw/zinc/81/22/76/505812276.db2.gz BQXRBXBMOUQBJV-QZTJIDSGSA-N 2 1 354.841 3.163 20 0 FGADMP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000177233344 495987644 /nfs/dbraw/zinc/98/76/44/495987644.db2.gz IALNFOHUMFITSH-GOSISDBHSA-N 2 1 353.510 3.293 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183574576 496036887 /nfs/dbraw/zinc/03/68/87/496036887.db2.gz FWXFLYRTTFWRMI-MRXNPFEDSA-N 2 1 352.482 3.103 20 0 FGADMP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1c[nH+]ccc1N(C)C ZINC000183594691 496042220 /nfs/dbraw/zinc/04/22/20/496042220.db2.gz MPUHBZIXJQVDTH-LJQANCHMSA-N 2 1 366.509 3.132 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)c1c[nH+]ccc1N(C)C ZINC000183594691 496042222 /nfs/dbraw/zinc/04/22/22/496042222.db2.gz MPUHBZIXJQVDTH-LJQANCHMSA-N 2 1 366.509 3.132 20 0 FGADMP CC(C)N(C)C(=O)[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000177456565 496068794 /nfs/dbraw/zinc/06/87/94/496068794.db2.gz WDUNBNLXKPDXPT-QGZVFWFLSA-N 2 1 360.546 3.132 20 0 FGADMP Cc1ccccc1NC(=O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494753 496085198 /nfs/dbraw/zinc/08/51/98/496085198.db2.gz RQIZGFQVNDNWEG-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP Cc1ccccc1NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494753 496085205 /nfs/dbraw/zinc/08/52/05/496085205.db2.gz RQIZGFQVNDNWEG-KDURUIRLSA-N 2 1 373.541 3.145 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC[N@@H+]1C ZINC000152286613 496105361 /nfs/dbraw/zinc/10/53/61/496105361.db2.gz AACQUNNDLFMAKU-RBSFLKMASA-N 2 1 352.320 3.100 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)CC[N@H+]1C ZINC000152286613 496105367 /nfs/dbraw/zinc/10/53/67/496105367.db2.gz AACQUNNDLFMAKU-RBSFLKMASA-N 2 1 352.320 3.100 20 0 FGADMP C[C@H]([NH2+]CC1(C[NH+](C)C)CCCC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000183950476 496172802 /nfs/dbraw/zinc/17/28/02/496172802.db2.gz UDFZMGIERGOQSD-AWEZNQCLSA-N 2 1 356.507 3.002 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](c3nccn3C)C2)cc1 ZINC000580754790 505829658 /nfs/dbraw/zinc/82/96/58/505829658.db2.gz HUFSCMHJRISOLK-QSFXBCCZSA-N 2 1 365.481 3.485 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000175063506 496233597 /nfs/dbraw/zinc/23/35/97/496233597.db2.gz ZBZJECIIOVORHD-LJQANCHMSA-N 2 1 363.550 3.027 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000187025078 496256578 /nfs/dbraw/zinc/25/65/78/496256578.db2.gz IWXQLZLNYNEWEY-RHSMWYFYSA-N 2 1 368.543 3.070 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C(=O)OC)sc2C)[C@H](C)C1 ZINC000187025078 496256583 /nfs/dbraw/zinc/25/65/83/496256583.db2.gz IWXQLZLNYNEWEY-RHSMWYFYSA-N 2 1 368.543 3.070 20 0 FGADMP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000184178992 496273880 /nfs/dbraw/zinc/27/38/80/496273880.db2.gz IYXHYBJZPMJBJE-QFIPXVFZSA-N 2 1 365.521 3.485 20 0 FGADMP Cc1nc2c(s1)[C@@H]([NH2+]C1CCN(c3cc(C)[nH+]c(C)n3)CC1)CCC2 ZINC000162295039 496330324 /nfs/dbraw/zinc/33/03/24/496330324.db2.gz JCAOBKMGSLBFLI-KRWDZBQOSA-N 2 1 357.527 3.494 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000175303498 496331096 /nfs/dbraw/zinc/33/10/96/496331096.db2.gz VBGDDDSDUMFXMN-RXVVDRJESA-N 2 1 372.557 3.212 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000187232591 496352352 /nfs/dbraw/zinc/35/23/52/496352352.db2.gz CEAPCSZRWAFADL-UHFFFAOYSA-N 2 1 367.472 3.259 20 0 FGADMP C[C@@H]([NH2+][C@H](C)c1ccccc1)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000181349002 496363361 /nfs/dbraw/zinc/36/33/61/496363361.db2.gz XVGIDGCSTIRONA-DBXWQHBBSA-N 2 1 351.494 3.116 20 0 FGADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc([C@H](C)[NH3+])cc3)CC2)cs1 ZINC000178205979 496370200 /nfs/dbraw/zinc/37/02/00/496370200.db2.gz ZDCBBHIJXYXLRA-ZDUSSCGKSA-N 2 1 358.511 3.322 20 0 FGADMP CN(CCC[N@@H+](C)Cc1c(Cl)cccc1N1CCCC1)CC[NH+](C)C ZINC000580801535 505840676 /nfs/dbraw/zinc/84/06/76/505840676.db2.gz NRTALMKOSASPJZ-UHFFFAOYSA-N 2 1 366.981 3.256 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000172722957 496403140 /nfs/dbraw/zinc/40/31/40/496403140.db2.gz UTKVENWVTVMTTA-KRWDZBQOSA-N 2 1 363.571 3.197 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)CCC(=O)N2C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000187357134 496408014 /nfs/dbraw/zinc/40/80/14/496408014.db2.gz SYSKEFJKEZYGEK-APWZRJJASA-N 2 1 355.526 3.338 20 0 FGADMP COc1cc([C@@H](C)[NH2+]CC[C@@H](C)[NH+]2CCCCC2)ccc1S(C)(=O)=O ZINC000184506745 496415620 /nfs/dbraw/zinc/41/56/20/496415620.db2.gz FSEYWOINUQMXDG-HZPDHXFCSA-N 2 1 368.543 3.014 20 0 FGADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000162972328 496442808 /nfs/dbraw/zinc/44/28/08/496442808.db2.gz MABLCAGJTBNZRU-FQEVSTJZSA-N 2 1 358.530 3.030 20 0 FGADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000187455268 496448670 /nfs/dbraw/zinc/44/86/70/496448670.db2.gz NYNFNWLSNRHYEG-JOCHJYFZSA-N 2 1 365.521 3.389 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175613893 496465456 /nfs/dbraw/zinc/46/54/56/496465456.db2.gz NBWRIXDRFANIKE-SFHVURJKSA-N 2 1 364.578 3.347 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000175641975 496479352 /nfs/dbraw/zinc/47/93/52/496479352.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000175641975 496479359 /nfs/dbraw/zinc/47/93/59/496479359.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 2 1 372.557 3.164 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH+]1C ZINC000175641975 496479365 /nfs/dbraw/zinc/47/93/65/496479365.db2.gz QNTQDWKCCSDOGA-RMVXJAJNSA-N 2 1 372.557 3.164 20 0 FGADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000163297009 496494926 /nfs/dbraw/zinc/49/49/26/496494926.db2.gz FQSAUKYRORGUPS-KBPBESRZSA-N 2 1 373.419 3.234 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000178672821 496534899 /nfs/dbraw/zinc/53/48/99/496534899.db2.gz DFTNBGMONKRXKL-INIZCTEOSA-N 2 1 367.946 3.021 20 0 FGADMP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178672798 496535132 /nfs/dbraw/zinc/53/51/32/496535132.db2.gz HSJRKDCTJPQURC-IBGZPJMESA-N 2 1 371.550 3.094 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000164271945 496600664 /nfs/dbraw/zinc/60/06/64/496600664.db2.gz QPSIIJNLEQKSBU-OAQYLSRUSA-N 2 1 371.569 3.479 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578069741 505854285 /nfs/dbraw/zinc/85/42/85/505854285.db2.gz UUQFIXZHHGUZIR-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP CC(=O)N1CCC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000578069741 505854287 /nfs/dbraw/zinc/85/42/87/505854287.db2.gz UUQFIXZHHGUZIR-NRFANRHFSA-N 2 1 355.526 3.032 20 0 FGADMP C[NH2+]CCC1CC[NH+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nn2)CC1 ZINC000578070324 505854989 /nfs/dbraw/zinc/85/49/89/505854989.db2.gz OZWUXRPSNSIVJC-UHFFFAOYSA-N 2 1 368.312 3.396 20 0 FGADMP Cc1ccccc1OCCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000153903694 496619585 /nfs/dbraw/zinc/61/95/85/496619585.db2.gz SDWHPZMTNKVJCK-OYRHEFFESA-N 2 1 359.558 3.254 20 0 FGADMP CC[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000164947900 496641184 /nfs/dbraw/zinc/64/11/84/496641184.db2.gz VKFGXQNYVZWOBT-VXKWHMMOSA-N 2 1 365.521 3.420 20 0 FGADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003832 496644140 /nfs/dbraw/zinc/64/41/40/496644140.db2.gz SRKUPEWZJCQQKZ-QINHECLXSA-N 2 1 355.482 3.028 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(C(=O)NCc2ccco2)c1 ZINC000165003832 496644144 /nfs/dbraw/zinc/64/41/44/496644144.db2.gz SRKUPEWZJCQQKZ-QINHECLXSA-N 2 1 355.482 3.028 20 0 FGADMP C[C@@H](CC(=O)Nc1ccc(OC(F)(F)F)cc1)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000158236698 496656851 /nfs/dbraw/zinc/65/68/51/496656851.db2.gz OWCMPOMMEAVNPY-KBPBESRZSA-N 2 1 373.419 3.234 20 0 FGADMP C[N@@H+](Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000165883584 496671730 /nfs/dbraw/zinc/67/17/30/496671730.db2.gz QXSJLVCIIYGJES-UHFFFAOYSA-N 2 1 357.542 3.457 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000574803016 505859303 /nfs/dbraw/zinc/85/93/03/505859303.db2.gz DVMICSRIDGEXKT-QGZVFWFLSA-N 2 1 365.930 3.051 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1csc(-c2ccc(Cl)cc2)n1)C1CC1 ZINC000574803016 505859307 /nfs/dbraw/zinc/85/93/07/505859307.db2.gz DVMICSRIDGEXKT-QGZVFWFLSA-N 2 1 365.930 3.051 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cc3c(cc(OC)cc3OC)[nH]2)[C@H](C)C1 ZINC000166339058 496683721 /nfs/dbraw/zinc/68/37/21/496683721.db2.gz BRMFYPAEARAAQQ-BEFAXECRSA-N 2 1 359.514 3.438 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571982970 505861998 /nfs/dbraw/zinc/86/19/98/505861998.db2.gz IWTIKCQVKMNVTL-UHFFFAOYSA-N 2 1 366.509 3.364 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000168705508 496711732 /nfs/dbraw/zinc/71/17/32/496711732.db2.gz DCWPGLQAMCKKRB-UNMCSNQZSA-N 2 1 365.521 3.447 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C12CCC2 ZINC000182225929 496714025 /nfs/dbraw/zinc/71/40/25/496714025.db2.gz BYJSDVYKYWOMKV-NJDAHSKKSA-N 2 1 358.526 3.081 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCOc3ccccc32)C1 ZINC000182269679 496723709 /nfs/dbraw/zinc/72/37/09/496723709.db2.gz DPMCZOXKCSPJJB-PZJWPPBQSA-N 2 1 352.478 3.257 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000182316665 496729355 /nfs/dbraw/zinc/72/93/55/496729355.db2.gz TUKDVXHGPUKKTC-SFTDATJTSA-N 2 1 372.557 3.154 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCOc2ccc(Cl)cc2)CC1 ZINC000191412506 496754384 /nfs/dbraw/zinc/75/43/84/496754384.db2.gz LEZBDQJWBLJDOJ-UHFFFAOYSA-N 2 1 353.938 3.067 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccccc2)C[C@H]2CCCO2)CC1 ZINC000191459178 496769772 /nfs/dbraw/zinc/76/97/72/496769772.db2.gz JDIJGFZLCPARCE-JOCHJYFZSA-N 2 1 359.558 3.084 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@@H+]1C ZINC000247104253 496780300 /nfs/dbraw/zinc/78/03/00/496780300.db2.gz YAGNQGMZCHJAQD-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[N@H+]1C ZINC000247104253 496780305 /nfs/dbraw/zinc/78/03/05/496780305.db2.gz YAGNQGMZCHJAQD-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000247104253 496780309 /nfs/dbraw/zinc/78/03/09/496780309.db2.gz YAGNQGMZCHJAQD-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)CC[NH+]1C ZINC000247104253 496780314 /nfs/dbraw/zinc/78/03/14/496780314.db2.gz YAGNQGMZCHJAQD-MGPQQGTHSA-N 2 1 361.313 3.148 20 0 FGADMP Cc1c([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cnn1C(C)C ZINC000191492077 496782171 /nfs/dbraw/zinc/78/21/71/496782171.db2.gz ORNKXXLYYYCMJW-JXFKEZNVSA-N 2 1 356.514 3.190 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCSc3ccc(OC)cc32)CC1 ZINC000191495184 496783217 /nfs/dbraw/zinc/78/32/17/496783217.db2.gz ZSRBVVGBLKQBJM-LJQANCHMSA-N 2 1 363.571 3.239 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000191493943 496783247 /nfs/dbraw/zinc/78/32/47/496783247.db2.gz ZICMYJABCKIKIU-AWEZNQCLSA-N 2 1 363.893 3.233 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccnc1Cl ZINC000191493943 496783252 /nfs/dbraw/zinc/78/32/52/496783252.db2.gz ZICMYJABCKIKIU-AWEZNQCLSA-N 2 1 363.893 3.233 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000191519318 496794762 /nfs/dbraw/zinc/79/47/62/496794762.db2.gz BNABEUXVLNDPOR-UHFFFAOYSA-N 2 1 373.888 3.019 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(=O)n2cc(Cl)ccc2n1 ZINC000191519318 496794768 /nfs/dbraw/zinc/79/47/68/496794768.db2.gz BNABEUXVLNDPOR-UHFFFAOYSA-N 2 1 373.888 3.019 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)[C@@H](C)C1 ZINC000247164957 496797066 /nfs/dbraw/zinc/79/70/66/496797066.db2.gz YALGRVYFCRVYEK-FFZOFVMBSA-N 2 1 365.949 3.033 20 0 FGADMP O[C@@H](COCc1ccccc1Cl)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000247207613 496805887 /nfs/dbraw/zinc/80/58/87/496805887.db2.gz CFXBQUOITLTJAQ-PKOBYXMFSA-N 2 1 366.933 3.025 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@@H+]1C ZINC000268865443 496809110 /nfs/dbraw/zinc/80/91/10/496809110.db2.gz HGKPLZJDMSLJBW-KFWWJZLASA-N 2 1 357.420 3.236 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(OC(F)(F)F)c3)C2)CC[N@H+]1C ZINC000268865443 496809113 /nfs/dbraw/zinc/80/91/13/496809113.db2.gz HGKPLZJDMSLJBW-KFWWJZLASA-N 2 1 357.420 3.236 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000268894913 496817694 /nfs/dbraw/zinc/81/76/94/496817694.db2.gz NODKKDZQFJDGKA-CYBMUJFWSA-N 2 1 371.453 3.319 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc2ccccc21 ZINC000195094257 496820575 /nfs/dbraw/zinc/82/05/75/496820575.db2.gz BQTHYQJTSWXNNP-GOSISDBHSA-N 2 1 368.525 3.031 20 0 FGADMP C[C@@H]1C[C@H](NC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268976380 496840876 /nfs/dbraw/zinc/84/08/76/496840876.db2.gz BSUNOSSQXKVJCB-KJXAQDMKSA-N 2 1 371.569 3.130 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)c1 ZINC000269124826 496876640 /nfs/dbraw/zinc/87/66/40/496876640.db2.gz CJOZKQITUJFBMZ-UHFFFAOYSA-N 2 1 358.511 3.022 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)[C@H]2CCCO[C@@H]21 ZINC000191837185 496906743 /nfs/dbraw/zinc/90/67/43/496906743.db2.gz NDPBQSUUJISSPS-NCYKPQTJSA-N 2 1 358.526 3.071 20 0 FGADMP CC1(C)[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)[C@H]2CCCO[C@@H]21 ZINC000191837185 496906747 /nfs/dbraw/zinc/90/67/47/496906747.db2.gz NDPBQSUUJISSPS-NCYKPQTJSA-N 2 1 358.526 3.071 20 0 FGADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OC(F)(F)F)c1 ZINC000247960619 496933351 /nfs/dbraw/zinc/93/33/51/496933351.db2.gz GELZVNWDINKVGG-HOCLYGCPSA-N 2 1 360.420 3.473 20 0 FGADMP CC[N@H+]1CC[C@H](NCC2([NH2+][C@H](C)c3ccccc3)CCOCC2)[C@@H](C)C1 ZINC000248121918 496956192 /nfs/dbraw/zinc/95/61/92/496956192.db2.gz NMGCXNJJQZBSOI-ZVDOUQERSA-N 2 1 359.558 3.206 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(C[NH2+][C@H]3CCc4ccccc43)c2)C1 ZINC000248152080 496964285 /nfs/dbraw/zinc/96/42/85/496964285.db2.gz QWMXMSIPZKUMOS-IRLDBZIGSA-N 2 1 363.505 3.161 20 0 FGADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248155064 496965311 /nfs/dbraw/zinc/96/53/11/496965311.db2.gz RFVKTOMOPCOLHK-YJBOKZPZSA-N 2 1 374.554 3.401 20 0 FGADMP C[C@H](NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248403602 496997979 /nfs/dbraw/zinc/99/79/79/496997979.db2.gz OTRNGAUXDYYQFW-JENIJYKNSA-N 2 1 366.594 3.305 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248407224 496999995 /nfs/dbraw/zinc/99/99/95/496999995.db2.gz UDFWIQALGNLCOQ-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000248407224 496999997 /nfs/dbraw/zinc/99/99/97/496999997.db2.gz UDFWIQALGNLCOQ-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000248407224 496999998 /nfs/dbraw/zinc/99/99/98/496999998.db2.gz UDFWIQALGNLCOQ-QYZOEREBSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248408835 497000663 /nfs/dbraw/zinc/00/06/63/497000663.db2.gz VYFWVFOZMZFIJX-FYZZASKESA-N 2 1 357.542 3.182 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248595346 497051100 /nfs/dbraw/zinc/05/11/00/497051100.db2.gz SNSSWMIHJHHRPZ-LNLFQRSKSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1c2ccccc2C[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248595346 497051103 /nfs/dbraw/zinc/05/11/03/497051103.db2.gz SNSSWMIHJHHRPZ-LNLFQRSKSA-N 2 1 355.526 3.207 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000574911714 505882037 /nfs/dbraw/zinc/88/20/37/505882037.db2.gz BQZIXADYKPACGR-HKUYNNGSSA-N 2 1 352.482 3.053 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccnc2)CC[N@H+]1Cc1ccccc1 ZINC000574911714 505882041 /nfs/dbraw/zinc/88/20/41/505882041.db2.gz BQZIXADYKPACGR-HKUYNNGSSA-N 2 1 352.482 3.053 20 0 FGADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1cccs1 ZINC000578193304 505883749 /nfs/dbraw/zinc/88/37/49/505883749.db2.gz QRMGJVMTVHDPSA-LPHOPBHVSA-N 2 1 363.571 3.273 20 0 FGADMP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000248719190 497086643 /nfs/dbraw/zinc/08/66/43/497086643.db2.gz SDUGTPCSAKQQCL-SJLPKXTDSA-N 2 1 366.575 3.114 20 0 FGADMP O=CN1CCC([NH2+]CCC[NH+](Cc2ccccc2)Cc2ccccc2)CC1 ZINC000278369151 497090110 /nfs/dbraw/zinc/09/01/10/497090110.db2.gz BYAOQDOBGUDDQT-UHFFFAOYSA-N 2 1 365.521 3.289 20 0 FGADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1OC(F)F ZINC000278371212 497091941 /nfs/dbraw/zinc/09/19/41/497091941.db2.gz BXCLYNHXNDZCCE-GJZGRUSLSA-N 2 1 372.456 3.448 20 0 FGADMP CCn1nc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c2ccccc21 ZINC000274438523 497098434 /nfs/dbraw/zinc/09/84/34/497098434.db2.gz BFFPLQJLGFIQOA-UHFFFAOYSA-N 2 1 369.557 3.047 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000569236213 505886085 /nfs/dbraw/zinc/88/60/85/505886085.db2.gz YMPUSNLFLFDANT-JOCHJYFZSA-N 2 1 365.521 3.185 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000278497998 497135460 /nfs/dbraw/zinc/13/54/60/497135460.db2.gz QFTLVWOSOBOCCH-HMXCVIKNSA-N 2 1 367.541 3.032 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccnn3C)C2)CC[N@H+]1Cc1ccccc1 ZINC000278497998 497135464 /nfs/dbraw/zinc/13/54/64/497135464.db2.gz QFTLVWOSOBOCCH-HMXCVIKNSA-N 2 1 367.541 3.032 20 0 FGADMP Cc1cnccc1OC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000278517725 497140592 /nfs/dbraw/zinc/14/05/92/497140592.db2.gz FSJNFEGRQQEYCX-GOSISDBHSA-N 2 1 371.525 3.414 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000278517725 497140596 /nfs/dbraw/zinc/14/05/96/497140596.db2.gz FSJNFEGRQQEYCX-GOSISDBHSA-N 2 1 371.525 3.414 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000278517725 497140597 /nfs/dbraw/zinc/14/05/97/497140597.db2.gz FSJNFEGRQQEYCX-GOSISDBHSA-N 2 1 371.525 3.414 20 0 FGADMP CCOc1ccc(C2(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CCOCC2)cc1 ZINC000192728131 497196894 /nfs/dbraw/zinc/19/68/94/497196894.db2.gz ZJCAQWWPRYBFRL-IHWFROFDSA-N 2 1 358.526 3.348 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215282 /nfs/dbraw/zinc/21/52/82/497215282.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215285 /nfs/dbraw/zinc/21/52/85/497215285.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000249515457 497215289 /nfs/dbraw/zinc/21/52/89/497215289.db2.gz QMVNWTBWVSEIIW-UWVAXJGDSA-N 2 1 351.535 3.050 20 0 FGADMP COc1ccc(C[NH+](C)C)cc1NC(=O)CC[N@H+]1CCc2ccccc2C1 ZINC000578225571 505891948 /nfs/dbraw/zinc/89/19/48/505891948.db2.gz WNXPUQILAVCYJA-UHFFFAOYSA-N 2 1 367.493 3.144 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000237348525 497224560 /nfs/dbraw/zinc/22/45/60/497224560.db2.gz LQFJOUKNDVQILU-GCJKJVERSA-N 2 1 365.521 3.247 20 0 FGADMP CCc1nc(CN2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000192853672 497230236 /nfs/dbraw/zinc/23/02/36/497230236.db2.gz SECKLDQXFHWRNR-JLYLLQBASA-N 2 1 362.587 3.132 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000192853672 497230238 /nfs/dbraw/zinc/23/02/38/497230238.db2.gz SECKLDQXFHWRNR-JLYLLQBASA-N 3 1 362.587 3.132 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000192853672 497230243 /nfs/dbraw/zinc/23/02/43/497230243.db2.gz SECKLDQXFHWRNR-JLYLLQBASA-N 3 1 362.587 3.132 20 0 FGADMP C[C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC[NH2+]CC1 ZINC000237395982 497230922 /nfs/dbraw/zinc/23/09/22/497230922.db2.gz URTOMELVPKFWKF-IRFPFTSISA-N 2 1 369.553 3.324 20 0 FGADMP COCCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192917475 497246652 /nfs/dbraw/zinc/24/66/52/497246652.db2.gz SODHEBJMEQHMTI-HXUWFJFHSA-N 2 1 354.494 3.324 20 0 FGADMP COCCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192917475 497246660 /nfs/dbraw/zinc/24/66/60/497246660.db2.gz SODHEBJMEQHMTI-HXUWFJFHSA-N 2 1 354.494 3.324 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237511445 497249092 /nfs/dbraw/zinc/24/90/92/497249092.db2.gz KURNYXAMJUJYSL-WIYYLYMNSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237511445 497249096 /nfs/dbraw/zinc/24/90/96/497249096.db2.gz KURNYXAMJUJYSL-WIYYLYMNSA-N 2 1 351.494 3.200 20 0 FGADMP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192934855 497251546 /nfs/dbraw/zinc/25/15/46/497251546.db2.gz FTYISRLYPYVSTC-LJQANCHMSA-N 2 1 373.541 3.498 20 0 FGADMP C[C@H](CC(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237578521 497258240 /nfs/dbraw/zinc/25/82/40/497258240.db2.gz VGVGVDJNQNAQMX-SVFBPWRDSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000237586374 497259207 /nfs/dbraw/zinc/25/92/07/497259207.db2.gz PLVYQKPQLVQXDU-DYESRHJHSA-N 2 1 351.494 3.270 20 0 FGADMP COc1cc(Br)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192981528 497266024 /nfs/dbraw/zinc/26/60/24/497266024.db2.gz NHWFEYLXQSUBKA-AGUYFDCRSA-N 2 1 369.303 3.181 20 0 FGADMP C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000237651317 497270001 /nfs/dbraw/zinc/27/00/01/497270001.db2.gz QNAAXYXKQSNNMR-FGTMMUONSA-N 2 1 363.571 3.102 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)C1 ZINC000251673160 497281345 /nfs/dbraw/zinc/28/13/45/497281345.db2.gz MEBFNELFJLEVQT-NQIIRXRSSA-N 2 1 372.557 3.012 20 0 FGADMP CC[C@]1(CO)CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@]2(CC)CO)c1 ZINC000251948731 497292128 /nfs/dbraw/zinc/29/21/28/497292128.db2.gz VFTGRCGODLQNHV-FGZHOGPDSA-N 2 1 360.542 3.160 20 0 FGADMP CC(C)c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000252480812 497302091 /nfs/dbraw/zinc/30/20/91/497302091.db2.gz FTCWWLKEOYWXBC-PMACEKPBSA-N 2 1 360.542 3.358 20 0 FGADMP CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000252480812 497302095 /nfs/dbraw/zinc/30/20/95/497302095.db2.gz FTCWWLKEOYWXBC-PMACEKPBSA-N 2 1 360.542 3.358 20 0 FGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000193125361 497308390 /nfs/dbraw/zinc/30/83/90/497308390.db2.gz KIOQOGWXJLTROY-XLIONFOSSA-N 2 1 373.541 3.262 20 0 FGADMP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000193125396 497308692 /nfs/dbraw/zinc/30/86/92/497308692.db2.gz KIOQOGWXJLTROY-YLJYHZDGSA-N 2 1 373.541 3.262 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)CC2 ZINC000252538678 497311399 /nfs/dbraw/zinc/31/13/99/497311399.db2.gz NEHBVUDIPJKVSO-QRVBRYPASA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CC2 ZINC000252538678 497311405 /nfs/dbraw/zinc/31/14/05/497311405.db2.gz NEHBVUDIPJKVSO-QRVBRYPASA-N 2 1 364.578 3.154 20 0 FGADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)CC2 ZINC000252538678 497311412 /nfs/dbraw/zinc/31/14/12/497311412.db2.gz NEHBVUDIPJKVSO-QRVBRYPASA-N 2 1 364.578 3.154 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1cc(Br)ncc1F ZINC000279035104 497312207 /nfs/dbraw/zinc/31/22/07/497312207.db2.gz WNYIGLCVOBBTMK-MNOVXSKESA-N 2 1 353.239 3.093 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)[C@@H]2CCCc3ccccc32)[C@@H](C)C1 ZINC000245415242 497394126 /nfs/dbraw/zinc/39/41/26/497394126.db2.gz DALAYWYQDIKSAH-DZFGPLHGSA-N 2 1 357.542 3.185 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405635 /nfs/dbraw/zinc/40/56/35/497405635.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405642 /nfs/dbraw/zinc/40/56/42/497405642.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 2 1 365.521 3.429 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000245436383 497405647 /nfs/dbraw/zinc/40/56/47/497405647.db2.gz DHOIHUBNFVZMMF-RBUKOAKNSA-N 2 1 365.521 3.429 20 0 FGADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261597122 497416326 /nfs/dbraw/zinc/41/63/26/497416326.db2.gz ACGFGRHLQROYOI-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2Cl)C1)[C@H]1CCC[NH2+]1 ZINC000261597122 497416332 /nfs/dbraw/zinc/41/63/32/497416332.db2.gz ACGFGRHLQROYOI-SUMWQHHRSA-N 2 1 370.324 3.074 20 0 FGADMP C[C@H](NC(=O)CC1(C[NH3+])CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261651681 497427418 /nfs/dbraw/zinc/42/74/18/497427418.db2.gz YIVBCEOZVSIFDL-ICSRJNTNSA-N 2 1 357.542 3.313 20 0 FGADMP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000261722349 497439695 /nfs/dbraw/zinc/43/96/95/497439695.db2.gz LRUMVZIHVNHENW-OAQYLSRUSA-N 2 1 351.494 3.143 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@H]1O ZINC000245552443 497452846 /nfs/dbraw/zinc/45/28/46/497452846.db2.gz QLTPCUJDGOWDSD-XSDIEEQYSA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](CCCCC[N@H+](C)C[C@@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000245552443 497452852 /nfs/dbraw/zinc/45/28/52/497452852.db2.gz QLTPCUJDGOWDSD-XSDIEEQYSA-N 2 1 354.579 3.123 20 0 FGADMP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCC[C@H]1O)C[C@@H]1CCCC[C@@H]1O ZINC000245552443 497452855 /nfs/dbraw/zinc/45/28/55/497452855.db2.gz QLTPCUJDGOWDSD-XSDIEEQYSA-N 2 1 354.579 3.123 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000261826649 497458250 /nfs/dbraw/zinc/45/82/50/497458250.db2.gz NXAULELSMKWRPK-OAQYLSRUSA-N 2 1 357.542 3.266 20 0 FGADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCN(c4ccccn4)C2)C3)cc1 ZINC000245670578 497494674 /nfs/dbraw/zinc/49/46/74/497494674.db2.gz HHEFVXZJJJAXOS-YUMYIRISSA-N 2 1 362.521 3.446 20 0 FGADMP COc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CCS2 ZINC000276200177 497518736 /nfs/dbraw/zinc/51/87/36/497518736.db2.gz YOQZBVIQYGISIY-CEXWTWQISA-N 2 1 362.539 3.200 20 0 FGADMP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000267312978 497524013 /nfs/dbraw/zinc/52/40/13/497524013.db2.gz CFADBXQOUBJCIP-GHTZIAJQSA-N 2 1 372.557 3.069 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1)C1CC[NH+](C)CC1 ZINC000245765181 497532248 /nfs/dbraw/zinc/53/22/48/497532248.db2.gz QQDOWVAZWVXXPQ-UGKGYDQZSA-N 2 1 357.542 3.218 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[N@@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000262364006 497545598 /nfs/dbraw/zinc/54/55/98/497545598.db2.gz JAMUPRJNTLKVLG-ROUUACIJSA-N 2 1 357.542 3.455 20 0 FGADMP COCC1(C(=O)Nc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[NH2+]CC1 ZINC000262432449 497555561 /nfs/dbraw/zinc/55/55/61/497555561.db2.gz WTHITUKNFWQRSJ-QGZVFWFLSA-N 2 1 359.514 3.016 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)[C@H]1c1cccs1 ZINC000262447539 497558141 /nfs/dbraw/zinc/55/81/41/497558141.db2.gz VMJBUKNRWFTSIM-ZTTFOMCMSA-N 2 1 361.555 3.027 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245987816 497591188 /nfs/dbraw/zinc/59/11/88/497591188.db2.gz WKVDBMAGPKFOPU-LPHOPBHVSA-N 2 1 370.497 3.101 20 0 FGADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245987816 497591196 /nfs/dbraw/zinc/59/11/96/497591196.db2.gz WKVDBMAGPKFOPU-LPHOPBHVSA-N 2 1 370.497 3.101 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262648875 497591353 /nfs/dbraw/zinc/59/13/53/497591353.db2.gz PSTHZMKRKNKTOS-HXHBTQRASA-N 2 1 365.521 3.492 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]CCC(=O)Nc3cccnc3)cc2)C1 ZINC000572216813 505916579 /nfs/dbraw/zinc/91/65/79/505916579.db2.gz RFCNBTMAKNTTBO-SFHVURJKSA-N 2 1 366.509 3.432 20 0 FGADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cc1 ZINC000262670711 497595236 /nfs/dbraw/zinc/59/52/36/497595236.db2.gz RKPUTHRXXICXGV-WMQCIHAUSA-N 2 1 351.494 3.164 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000272324885 497596700 /nfs/dbraw/zinc/59/67/00/497596700.db2.gz QUGADSFSPQYZSW-GOSISDBHSA-N 2 1 374.525 3.232 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)c2ccccc21 ZINC000272495185 497643670 /nfs/dbraw/zinc/64/36/70/497643670.db2.gz CYOXNZRMOFKKIH-QZTJIDSGSA-N 2 1 356.470 3.492 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000246181286 497650951 /nfs/dbraw/zinc/65/09/51/497650951.db2.gz CFEWUFIQGMMIMZ-FCEUIQTBSA-N 2 1 371.569 3.383 20 0 FGADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000246192913 497655610 /nfs/dbraw/zinc/65/56/10/497655610.db2.gz VUGBDACYZFRVEG-DYQZNNLLSA-N 2 1 358.526 3.000 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000246265213 497678085 /nfs/dbraw/zinc/67/80/85/497678085.db2.gz LQTSLOHQIDDANZ-SLEUVZQESA-N 2 1 371.319 3.285 20 0 FGADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(Br)c1OC ZINC000246265213 497678080 /nfs/dbraw/zinc/67/80/80/497678080.db2.gz LQTSLOHQIDDANZ-SLEUVZQESA-N 2 1 371.319 3.285 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000581160143 505922911 /nfs/dbraw/zinc/92/29/11/505922911.db2.gz FAMDBAGJCJSFNQ-QGZVFWFLSA-N 2 1 367.331 3.263 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1)C1CC1 ZINC000581160143 505922913 /nfs/dbraw/zinc/92/29/13/505922913.db2.gz FAMDBAGJCJSFNQ-QGZVFWFLSA-N 2 1 367.331 3.263 20 0 FGADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000246296584 497687704 /nfs/dbraw/zinc/68/77/04/497687704.db2.gz ACOBVYWYUKEZFT-AQNXPRMDSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1 ZINC000246296584 497687708 /nfs/dbraw/zinc/68/77/08/497687708.db2.gz ACOBVYWYUKEZFT-AQNXPRMDSA-N 2 1 364.578 3.011 20 0 FGADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C(C)C)C1 ZINC000246296584 497687714 /nfs/dbraw/zinc/68/77/14/497687714.db2.gz ACOBVYWYUKEZFT-AQNXPRMDSA-N 2 1 364.578 3.011 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000246339463 497701154 /nfs/dbraw/zinc/70/11/54/497701154.db2.gz GQUUCCUVVKOJEM-VAMGGRTRSA-N 2 1 362.489 3.397 20 0 FGADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000194542853 497701176 /nfs/dbraw/zinc/70/11/76/497701176.db2.gz ZIIVMOMYUJCNMG-BGYRXZFFSA-N 2 1 351.494 3.271 20 0 FGADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000194542853 497701181 /nfs/dbraw/zinc/70/11/81/497701181.db2.gz ZIIVMOMYUJCNMG-BGYRXZFFSA-N 2 1 351.494 3.271 20 0 FGADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000194542853 497701185 /nfs/dbraw/zinc/70/11/85/497701185.db2.gz ZIIVMOMYUJCNMG-BGYRXZFFSA-N 2 1 351.494 3.271 20 0 FGADMP Cc1cc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc(C)c1OCc1ccccn1 ZINC000194542853 497701188 /nfs/dbraw/zinc/70/11/88/497701188.db2.gz ZIIVMOMYUJCNMG-BGYRXZFFSA-N 2 1 351.494 3.271 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341301 497701345 /nfs/dbraw/zinc/70/13/45/497701345.db2.gz DTAHULUFNHJSSE-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341301 497701348 /nfs/dbraw/zinc/70/13/48/497701348.db2.gz DTAHULUFNHJSSE-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246341301 497701352 /nfs/dbraw/zinc/70/13/52/497701352.db2.gz DTAHULUFNHJSSE-TYPHKJRUSA-N 2 1 372.557 3.023 20 0 FGADMP CCOC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272695296 497703756 /nfs/dbraw/zinc/70/37/56/497703756.db2.gz XPXJXPKWYYMKLA-IEBWSBKVSA-N 2 1 359.514 3.108 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000246393473 497718995 /nfs/dbraw/zinc/71/89/95/497718995.db2.gz SNLXBRZIFHLUJZ-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246393473 497718999 /nfs/dbraw/zinc/71/89/99/497718999.db2.gz SNLXBRZIFHLUJZ-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1N(C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000246393473 497719006 /nfs/dbraw/zinc/71/90/06/497719006.db2.gz SNLXBRZIFHLUJZ-UKAVVXHISA-N 2 1 372.557 3.021 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC000246469003 497744355 /nfs/dbraw/zinc/74/43/55/497744355.db2.gz QJVKHPSZVVVPBG-YAJHFMINSA-N 2 1 365.949 3.032 20 0 FGADMP c1csc(N2CCC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)CC2)n1 ZINC000272851912 497745614 /nfs/dbraw/zinc/74/56/14/497745614.db2.gz JTAZDAXJOIBTPL-IBGZPJMESA-N 2 1 370.566 3.266 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246481255 497748697 /nfs/dbraw/zinc/74/86/97/497748697.db2.gz GOSHYJHOUWUQSH-DWLFOUALSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246481255 497748702 /nfs/dbraw/zinc/74/87/02/497748702.db2.gz GOSHYJHOUWUQSH-DWLFOUALSA-N 2 1 369.553 3.291 20 0 FGADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000246481255 497748708 /nfs/dbraw/zinc/74/87/08/497748708.db2.gz GOSHYJHOUWUQSH-DWLFOUALSA-N 2 1 369.553 3.291 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581602 497781489 /nfs/dbraw/zinc/78/14/89/497781489.db2.gz GDQRNDUHTJCVHH-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581602 497781491 /nfs/dbraw/zinc/78/14/91/497781491.db2.gz GDQRNDUHTJCVHH-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP C[C@@H](O)C[C@@H]1CCC[NH+]1Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)cc1 ZINC000246581602 497781496 /nfs/dbraw/zinc/78/14/96/497781496.db2.gz GDQRNDUHTJCVHH-UDKICSLYSA-N 2 1 360.542 3.157 20 0 FGADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000273155907 497804746 /nfs/dbraw/zinc/80/47/46/497804746.db2.gz ARLCOJWLUJVYMT-AWEZNQCLSA-N 2 1 367.484 3.212 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000246823170 497814070 /nfs/dbraw/zinc/81/40/70/497814070.db2.gz CMJCKYBNVOAYPS-RTWAWAEBSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246823170 497814071 /nfs/dbraw/zinc/81/40/71/497814071.db2.gz CMJCKYBNVOAYPS-RTWAWAEBSA-N 2 1 357.542 3.089 20 0 FGADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000246823170 497814072 /nfs/dbraw/zinc/81/40/72/497814072.db2.gz CMJCKYBNVOAYPS-RTWAWAEBSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(NS(C)(=O)=O)cc1 ZINC000246918915 497820369 /nfs/dbraw/zinc/82/03/69/497820369.db2.gz GPKRMQJBXLKKHC-DLBZAZTESA-N 2 1 367.559 3.221 20 0 FGADMP C[C@H](C(=O)NCCC1=CCCCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246928935 497820857 /nfs/dbraw/zinc/82/08/57/497820857.db2.gz SXSXMTLYAFLUOV-QFUCXCTJSA-N 2 1 359.558 3.330 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364212734 497842857 /nfs/dbraw/zinc/84/28/57/497842857.db2.gz KPKBATVZCMOOAQ-LJQANCHMSA-N 2 1 357.542 3.137 20 0 FGADMP C[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CCN(c2ccccn2)CC1 ZINC000364228110 497849412 /nfs/dbraw/zinc/84/94/12/497849412.db2.gz YHWTVTKCPUMSMH-QUCCMNQESA-N 2 1 370.541 3.163 20 0 FGADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000295908951 497850469 /nfs/dbraw/zinc/85/04/69/497850469.db2.gz JAPRZAXJEFGUEA-QGZVFWFLSA-N 2 1 374.529 3.483 20 0 FGADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000292058426 497859065 /nfs/dbraw/zinc/85/90/65/497859065.db2.gz JXAGBKOJJRCGTM-MAUKXSAKSA-N 2 1 371.447 3.075 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@H]3c3ccccc3)CC2)CC1 ZINC000581259689 505945669 /nfs/dbraw/zinc/94/56/69/505945669.db2.gz RFKBUHOBMKDVKI-NRFANRHFSA-N 2 1 355.526 3.156 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)c1 ZINC000280922866 497952057 /nfs/dbraw/zinc/95/20/57/497952057.db2.gz UFKUZIDGXSBDBO-DYESRHJHSA-N 2 1 352.482 3.383 20 0 FGADMP O=C(C[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000301166848 497980562 /nfs/dbraw/zinc/98/05/62/497980562.db2.gz VVGUVOYYCVAEDJ-UHFFFAOYSA-N 2 1 372.900 3.023 20 0 FGADMP O=C(C[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)N1CCCC1 ZINC000301166848 497980569 /nfs/dbraw/zinc/98/05/69/497980569.db2.gz VVGUVOYYCVAEDJ-UHFFFAOYSA-N 2 1 372.900 3.023 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000578512467 505958128 /nfs/dbraw/zinc/95/81/28/505958128.db2.gz VWERQVUYVPIXDB-DYESRHJHSA-N 2 1 364.493 3.461 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cc1 ZINC000578512467 505958131 /nfs/dbraw/zinc/95/81/31/505958131.db2.gz VWERQVUYVPIXDB-DYESRHJHSA-N 2 1 364.493 3.461 20 0 FGADMP Oc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)CCC2 ZINC000281001668 497982893 /nfs/dbraw/zinc/98/28/93/497982893.db2.gz MPECHPJGXMDOCW-JOCHJYFZSA-N 2 1 352.478 3.392 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364598419 498042278 /nfs/dbraw/zinc/04/22/78/498042278.db2.gz BKEYSGXZXWUBBH-CVEARBPZSA-N 2 1 374.916 3.126 20 0 FGADMP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000364598420 498042724 /nfs/dbraw/zinc/04/27/24/498042724.db2.gz BKEYSGXZXWUBBH-HOTGVXAUSA-N 2 1 374.916 3.126 20 0 FGADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3cc(Br)cs3)no2)CC1 ZINC000575413110 505974501 /nfs/dbraw/zinc/97/45/01/505974501.db2.gz XZOFWHBQHVYAEN-UHFFFAOYSA-N 2 1 371.304 3.121 20 0 FGADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCC(=O)N2CCCCC2)CC1 ZINC000285449765 498088569 /nfs/dbraw/zinc/08/85/69/498088569.db2.gz ZKZXSBGQRRLWLR-UHFFFAOYSA-N 2 1 357.542 3.422 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000289284293 498090591 /nfs/dbraw/zinc/09/05/91/498090591.db2.gz OXHHPRQVCHTMEH-OAHLLOKOSA-N 2 1 363.527 3.207 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(C(=O)Oc3ccccc3)CC2)C1 ZINC000289342332 498112393 /nfs/dbraw/zinc/11/23/93/498112393.db2.gz XCBIKTZSPBJKNV-OALUTQOASA-N 2 1 359.514 3.361 20 0 FGADMP COC[C@@H]([NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1)C1CCCC1 ZINC000364732984 498120175 /nfs/dbraw/zinc/12/01/75/498120175.db2.gz ICKCWRHMQUVRNV-LJQANCHMSA-N 2 1 351.560 3.458 20 0 FGADMP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccco1 ZINC000572511962 505986970 /nfs/dbraw/zinc/98/69/70/505986970.db2.gz IQYNNZKZTPUIHW-SJORKVTESA-N 2 1 364.534 3.225 20 0 FGADMP O[C@H]1CCC[NH+](Cc2cc(Cl)cc(C[N@@H+]3CCC[C@H](O)CC3)c2)CC1 ZINC000296709281 498163939 /nfs/dbraw/zinc/16/39/39/498163939.db2.gz LTBPGRGFMIJPIM-PMACEKPBSA-N 2 1 366.933 3.034 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1)C2 ZINC000365082435 498288769 /nfs/dbraw/zinc/28/87/69/498288769.db2.gz LLHBOBTVUMVWPD-DOMZBBRYSA-N 2 1 366.387 3.142 20 0 FGADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Cl)c1Cl)C2 ZINC000365081768 498289049 /nfs/dbraw/zinc/28/90/49/498289049.db2.gz FALNQNLBUQPQAL-VXGBXAGGSA-N 2 1 367.280 3.430 20 0 FGADMP Cc1nnc(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000289789710 498294911 /nfs/dbraw/zinc/29/49/11/498294911.db2.gz NFBNFYVZZZUUGH-GBESFXJTSA-N 2 1 356.539 3.279 20 0 FGADMP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CCC[NH+]2CCC(O)CC2)cc1F ZINC000360870010 498317545 /nfs/dbraw/zinc/31/75/45/498317545.db2.gz GBHPLQSTXQVDEV-AZUAARDMSA-N 2 1 364.505 3.297 20 0 FGADMP Cc1cnn([C@@H]2CC[NH+](CCCCC[N@@H+]3CC[C@@H](n4cc(C)cn4)C3)C2)c1 ZINC000289903324 498345878 /nfs/dbraw/zinc/34/58/78/498345878.db2.gz NNZJDZJIZISBGE-NHCUHLMSSA-N 2 1 370.545 3.061 20 0 FGADMP Fc1ccc(-n2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c3c2CCC3)cc1 ZINC000569811127 506021954 /nfs/dbraw/zinc/02/19/54/506021954.db2.gz LSLWCROXENFFBA-IAGOWNOFSA-N 2 1 368.500 3.322 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000572657554 506022129 /nfs/dbraw/zinc/02/21/29/506022129.db2.gz MMFFFPJHCXABIX-GOSISDBHSA-N 2 1 357.542 3.305 20 0 FGADMP Cn1cc([C@@H]2[C@@H](CNCc3coc(-c4ccccc4)n3)CCC[N@H+]2C)cn1 ZINC000361354795 498378756 /nfs/dbraw/zinc/37/87/56/498378756.db2.gz VOMGLWASHWADEJ-XLIONFOSSA-N 2 1 365.481 3.248 20 0 FGADMP Cn1cc([C@@H]2[C@@H](C[NH2+]Cc3coc(-c4ccccc4)n3)CCCN2C)cn1 ZINC000361354795 498378766 /nfs/dbraw/zinc/37/87/66/498378766.db2.gz VOMGLWASHWADEJ-XLIONFOSSA-N 2 1 365.481 3.248 20 0 FGADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000302051383 498385656 /nfs/dbraw/zinc/38/56/56/498385656.db2.gz OUHGVIOABARISZ-SFHVURJKSA-N 2 1 352.526 3.322 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538344 498408427 /nfs/dbraw/zinc/40/84/27/498408427.db2.gz FSAZWTRTVVNBBE-LPHOPBHVSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000293538344 498408435 /nfs/dbraw/zinc/40/84/35/498408435.db2.gz FSAZWTRTVVNBBE-LPHOPBHVSA-N 2 1 365.477 3.018 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCn2c(cnc2-c2ccccc2)C1 ZINC000361685279 498419313 /nfs/dbraw/zinc/41/93/13/498419313.db2.gz MTONHLAJGSTDEZ-HKUYNNGSSA-N 2 1 366.509 3.103 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000362013672 498453224 /nfs/dbraw/zinc/45/32/24/498453224.db2.gz QBAUCIQFIUCSSU-FQEVSTJZSA-N 2 1 361.599 3.268 20 0 FGADMP CC(C)n1cc(C2=CCC[N@H+](C3CCN(c4cc[nH+]cc4)CC3)CC2)nn1 ZINC000572724918 506037374 /nfs/dbraw/zinc/03/73/74/506037374.db2.gz KMCHSAJWIIUZRX-UHFFFAOYSA-N 2 1 366.513 3.402 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578875206 506042535 /nfs/dbraw/zinc/04/25/35/506042535.db2.gz MTOKIUGZISLAHW-HKUYNNGSSA-N 2 1 363.571 3.211 20 0 FGADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000578875206 506042537 /nfs/dbraw/zinc/04/25/37/506042537.db2.gz MTOKIUGZISLAHW-HKUYNNGSSA-N 2 1 363.571 3.211 20 0 FGADMP c1ccc2c(c1)[nH]c1c2C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000282434551 498510718 /nfs/dbraw/zinc/51/07/18/498510718.db2.gz UCLRBVGBLWWJHC-KRWDZBQOSA-N 2 1 353.510 3.260 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000290413659 498542980 /nfs/dbraw/zinc/54/29/80/498542980.db2.gz QICHHNJOZNZZOZ-UHFFFAOYSA-N 2 1 361.511 3.319 20 0 FGADMP C[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(-c2ccncc2)c1 ZINC000569960748 506056906 /nfs/dbraw/zinc/05/69/06/506056906.db2.gz NJENXCINUNJAMS-HNNXBMFYSA-N 2 1 362.481 3.185 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)C1 ZINC000302937365 498631856 /nfs/dbraw/zinc/63/18/56/498631856.db2.gz ASABJMXLXIWZOM-QKNQBKEWSA-N 2 1 366.594 3.308 20 0 FGADMP COc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)c(OC(F)F)c1 ZINC000365828650 498658176 /nfs/dbraw/zinc/65/81/76/498658176.db2.gz GUQCSVYBSWQHKG-AWEZNQCLSA-N 2 1 351.397 3.410 20 0 FGADMP COc1ccc(CN2CCC[C@H](c3nccn3C)C2)c(OC(F)F)c1 ZINC000365828650 498658184 /nfs/dbraw/zinc/65/81/84/498658184.db2.gz GUQCSVYBSWQHKG-AWEZNQCLSA-N 2 1 351.397 3.410 20 0 FGADMP C[C@H](CNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000303517343 498684507 /nfs/dbraw/zinc/68/45/07/498684507.db2.gz YHEKQZDLFMMVSL-TZIWHRDSSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000298290657 498722511 /nfs/dbraw/zinc/72/25/11/498722511.db2.gz HDUVYLPEZLPBOM-IBGZPJMESA-N 2 1 359.514 3.469 20 0 FGADMP O=C1[C@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1ccc(Cl)cc1 ZINC000303923134 498728194 /nfs/dbraw/zinc/72/81/94/498728194.db2.gz YVNRACPVFFGLCY-LJQANCHMSA-N 2 1 361.917 3.253 20 0 FGADMP Cc1ccnc(C)c1NC(=O)NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000287462346 498765078 /nfs/dbraw/zinc/76/50/78/498765078.db2.gz IVVXTPHPLRUOTQ-MRXNPFEDSA-N 2 1 368.481 3.241 20 0 FGADMP NC(=O)c1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572959898 506092422 /nfs/dbraw/zinc/09/24/22/506092422.db2.gz HRPUHQLRTOMIHT-NRFANRHFSA-N 2 1 363.505 3.115 20 0 FGADMP NC(=O)c1cccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000572959898 506092426 /nfs/dbraw/zinc/09/24/26/506092426.db2.gz HRPUHQLRTOMIHT-NRFANRHFSA-N 2 1 363.505 3.115 20 0 FGADMP COc1cc(NC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)cc(OC)c1 ZINC000366170343 498805794 /nfs/dbraw/zinc/80/57/94/498805794.db2.gz VAHINTJGMXQZQM-LJQANCHMSA-N 2 1 361.530 3.455 20 0 FGADMP c1ccc(-c2noc(CCC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)n2)cc1 ZINC000363414146 498807315 /nfs/dbraw/zinc/80/73/15/498807315.db2.gz KPAQVXAYKKMNFQ-QRVBRYPASA-N 2 1 352.482 3.085 20 0 FGADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000298567621 498817084 /nfs/dbraw/zinc/81/70/84/498817084.db2.gz WRGSXODZFPFHEY-HNNXBMFYSA-N 2 1 374.554 3.172 20 0 FGADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000581937852 506094474 /nfs/dbraw/zinc/09/44/74/506094474.db2.gz YKACNDAUIOKBAF-YPAWHYETSA-N 2 1 371.569 3.165 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc4ccccc43)C2)CC1 ZINC000363451991 498829004 /nfs/dbraw/zinc/82/90/04/498829004.db2.gz ZJVDIEPLFGTGOB-NRFANRHFSA-N 2 1 367.537 3.319 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675537 498833321 /nfs/dbraw/zinc/83/33/21/498833321.db2.gz MLFJYKNQOKTVDL-OLMNPRSZSA-N 2 1 372.431 3.107 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)c2)CCO1 ZINC000287675537 498833324 /nfs/dbraw/zinc/83/33/24/498833324.db2.gz MLFJYKNQOKTVDL-OLMNPRSZSA-N 2 1 372.431 3.107 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@H](C)c3ccc(C)cc3)CC2)CC1 ZINC000581952733 506098929 /nfs/dbraw/zinc/09/89/29/506098929.db2.gz SQEHTXOUGZVCDV-IBGZPJMESA-N 2 1 371.569 3.411 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000576201544 506100139 /nfs/dbraw/zinc/10/01/39/506100139.db2.gz BPYNOUBMXQXBRM-TZIWHRDSSA-N 2 1 374.573 3.318 20 0 FGADMP C[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H]1c1cccc(Cl)c1 ZINC000366326774 498875377 /nfs/dbraw/zinc/87/53/77/498875377.db2.gz FTOLKAHZQXASPJ-YSIASYRMSA-N 2 1 371.912 3.019 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)C[C@@](C)(O)c2ccccc2)[C@@H]1c1cnn(C)c1 ZINC000328644531 498886983 /nfs/dbraw/zinc/88/69/83/498886983.db2.gz RTFFTVNCTMRCMY-VLCRHTCISA-N 2 1 370.541 3.033 20 0 FGADMP C[NH+](Cc1cc(Cl)cc(C[N@@H+](C)C[C@H]2CCOC2)c1)C[C@H]1CCOC1 ZINC000295046565 498891145 /nfs/dbraw/zinc/89/11/45/498891145.db2.gz OHMYHZSZQVYUAL-IAGOWNOFSA-N 2 1 366.933 3.277 20 0 FGADMP Cc1ccnc(-c2noc(CN[C@@H](C)[C@H]3CCC[N@H+](C4CCC4)C3)n2)c1 ZINC000295057899 498893995 /nfs/dbraw/zinc/89/39/95/498893995.db2.gz VDUMNOKWJBVAOM-HOTGVXAUSA-N 2 1 355.486 3.183 20 0 FGADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173203 506108189 /nfs/dbraw/zinc/10/81/89/506108189.db2.gz BNDWUKDCCMIAEC-SFHVURJKSA-N 2 1 359.514 3.272 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173203 506108191 /nfs/dbraw/zinc/10/81/91/506108191.db2.gz BNDWUKDCCMIAEC-SFHVURJKSA-N 2 1 359.514 3.272 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173203 506108194 /nfs/dbraw/zinc/10/81/94/506108194.db2.gz BNDWUKDCCMIAEC-SFHVURJKSA-N 2 1 359.514 3.272 20 0 FGADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)Nc2ccccc2C(C)=O)C1 ZINC000570173203 506108197 /nfs/dbraw/zinc/10/81/97/506108197.db2.gz BNDWUKDCCMIAEC-SFHVURJKSA-N 2 1 359.514 3.272 20 0 FGADMP Cc1nccnc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295084762 498903750 /nfs/dbraw/zinc/90/37/50/498903750.db2.gz UIBKMDXBRDIICZ-KCZVDYSFSA-N 2 1 350.510 3.218 20 0 FGADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003374 506111050 /nfs/dbraw/zinc/11/10/50/506111050.db2.gz HGOLYTUUAYBKFJ-ROUUACIJSA-N 2 1 365.477 3.349 20 0 FGADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1Oc1ccccc1 ZINC000582003374 506111052 /nfs/dbraw/zinc/11/10/52/506111052.db2.gz HGOLYTUUAYBKFJ-ROUUACIJSA-N 2 1 365.477 3.349 20 0 FGADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000366429590 498923905 /nfs/dbraw/zinc/92/39/05/498923905.db2.gz GSOUQRIOKUKHHI-CQSZACIVSA-N 2 1 359.445 3.072 20 0 FGADMP CC[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000570222602 506118407 /nfs/dbraw/zinc/11/84/07/506118407.db2.gz RPMIAXCCHBFMMQ-MRXNPFEDSA-N 2 1 355.320 3.121 20 0 FGADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCCC1 ZINC000570222602 506118408 /nfs/dbraw/zinc/11/84/08/506118408.db2.gz RPMIAXCCHBFMMQ-MRXNPFEDSA-N 2 1 355.320 3.121 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579239719 506127466 /nfs/dbraw/zinc/12/74/66/506127466.db2.gz IWFFBLQHSJBLIV-NOXHYTERSA-N 2 1 355.404 3.092 20 0 FGADMP C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000579239719 506127468 /nfs/dbraw/zinc/12/74/68/506127468.db2.gz IWFFBLQHSJBLIV-NOXHYTERSA-N 2 1 355.404 3.092 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[N@@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225505 506124394 /nfs/dbraw/zinc/12/43/94/506124394.db2.gz HGQZASOQARONJN-AZUAARDMSA-N 2 1 369.534 3.091 20 0 FGADMP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[N@H+]1CCc2sccc2C1)C1CCC1 ZINC000579225505 506124397 /nfs/dbraw/zinc/12/43/97/506124397.db2.gz HGQZASOQARONJN-AZUAARDMSA-N 2 1 369.534 3.091 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000576301534 506125116 /nfs/dbraw/zinc/12/51/16/506125116.db2.gz ZXSRUJIXQMPYMF-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000576301534 506125117 /nfs/dbraw/zinc/12/51/17/506125117.db2.gz ZXSRUJIXQMPYMF-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP CC[C@H](C)[NH+](C)CCNC(=O)N1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000576301534 506125118 /nfs/dbraw/zinc/12/51/18/506125118.db2.gz ZXSRUJIXQMPYMF-SIKLNZKXSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H]1CCN(C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c2ccccc2S1 ZINC000579231523 506125425 /nfs/dbraw/zinc/12/54/25/506125425.db2.gz JEMXWHIKLGANLM-FUHWJXTLSA-N 2 1 373.566 3.225 20 0 FGADMP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000363852575 499025615 /nfs/dbraw/zinc/02/56/15/499025615.db2.gz JQBXYAAKMBLGOB-UHFFFAOYSA-N 2 1 369.509 3.138 20 0 FGADMP Cc1cccc(N2CCC([NH2+]C3CCN(C(=O)OCC(C)C)CC3)CC2)[nH+]1 ZINC000363982512 499075282 /nfs/dbraw/zinc/07/52/82/499075282.db2.gz IBUWFXJXDLDDNT-UHFFFAOYSA-N 2 1 374.529 3.205 20 0 FGADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000372688095 499161222 /nfs/dbraw/zinc/16/12/22/499161222.db2.gz AIJZEFZYNQLULQ-ATKRNPRHSA-N 2 1 358.526 3.225 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H](CCCN3C3CC3)C2)CC1 ZINC000367252186 499168389 /nfs/dbraw/zinc/16/83/89/499168389.db2.gz LKNHDXHWHYTBRD-TZIWHRDSSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252186 499168390 /nfs/dbraw/zinc/16/83/90/499168390.db2.gz LKNHDXHWHYTBRD-TZIWHRDSSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000367252186 499168391 /nfs/dbraw/zinc/16/83/91/499168391.db2.gz LKNHDXHWHYTBRD-TZIWHRDSSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000367252186 499168393 /nfs/dbraw/zinc/16/83/93/499168393.db2.gz LKNHDXHWHYTBRD-TZIWHRDSSA-N 2 1 361.574 3.220 20 0 FGADMP CC(C)CC(=O)N1CCC(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000367252186 499168394 /nfs/dbraw/zinc/16/83/94/499168394.db2.gz LKNHDXHWHYTBRD-TZIWHRDSSA-N 2 1 361.574 3.220 20 0 FGADMP CCC[C@@H]1C[C@H]1NC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370042599 499170447 /nfs/dbraw/zinc/17/04/47/499170447.db2.gz YRJLTQPXVSXJOO-UYAOXDASSA-N 2 1 364.578 3.013 20 0 FGADMP CCCC1(CNC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CC1 ZINC000372787360 499175102 /nfs/dbraw/zinc/17/51/02/499175102.db2.gz VQMOICKWRMFIPU-UHFFFAOYSA-N 2 1 364.578 3.062 20 0 FGADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)Nc1ccccc1F)CC2)C1CC1 ZINC000367308912 499178132 /nfs/dbraw/zinc/17/81/32/499178132.db2.gz GBYSNHHVPFAYIA-INIZCTEOSA-N 2 1 359.489 3.351 20 0 FGADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCc2ccccc2NC1=O ZINC000372817512 499179785 /nfs/dbraw/zinc/17/97/85/499179785.db2.gz ZUELANYZMRYUHW-OAQYLSRUSA-N 2 1 364.493 3.183 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c(C)nc2s1 ZINC000367334949 499183316 /nfs/dbraw/zinc/18/33/16/499183316.db2.gz SLFWGUHTFSCHCI-WMZOPIPTSA-N 2 1 355.511 3.190 20 0 FGADMP Cc1nn2c(C[NH2+]C[C@@H]3CC[N@H+](C)[C@H]3c3ccccc3)c(C)nc2s1 ZINC000367334949 499183317 /nfs/dbraw/zinc/18/33/17/499183317.db2.gz SLFWGUHTFSCHCI-WMZOPIPTSA-N 2 1 355.511 3.190 20 0 FGADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2ccc3c[nH]nc3c2)[C@@H]1c1cnn(C)c1 ZINC000370308464 499208114 /nfs/dbraw/zinc/20/81/14/499208114.db2.gz NGKIADLOOIQZKZ-GHTZIAJQSA-N 2 1 366.513 3.201 20 0 FGADMP CC(C)(C)OC(=O)NCC1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000367522314 499208681 /nfs/dbraw/zinc/20/86/81/499208681.db2.gz DSUPHQRHODLIJH-ZGUYJTEBSA-N 2 1 351.535 3.286 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)cc1Cl ZINC000367672338 499223612 /nfs/dbraw/zinc/22/36/12/499223612.db2.gz RKKPGUPSDSQYMH-OAHLLOKOSA-N 2 1 361.873 3.408 20 0 FGADMP CCOC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000367672338 499223613 /nfs/dbraw/zinc/22/36/13/499223613.db2.gz RKKPGUPSDSQYMH-OAHLLOKOSA-N 2 1 361.873 3.408 20 0 FGADMP CCOC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000367672338 499223615 /nfs/dbraw/zinc/22/36/15/499223615.db2.gz RKKPGUPSDSQYMH-OAHLLOKOSA-N 2 1 361.873 3.408 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCc1nnc2n1CCCCC2 ZINC000370573910 499232685 /nfs/dbraw/zinc/23/26/85/499232685.db2.gz MYQPUGBYDAOBDF-HKUYNNGSSA-N 2 1 353.514 3.005 20 0 FGADMP O[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000370616187 499236004 /nfs/dbraw/zinc/23/60/04/499236004.db2.gz PNXXNGYJXRJLJV-YADHBBJMSA-N 2 1 354.469 3.081 20 0 FGADMP COc1cccc2c1CC[C@H]2[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370663881 499241475 /nfs/dbraw/zinc/24/14/75/499241475.db2.gz ZFYFCLFXQMJYMI-JOCHJYFZSA-N 3 1 371.569 3.468 20 0 FGADMP C[C@H](NC(=O)NCCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000367932438 499246803 /nfs/dbraw/zinc/24/68/03/499246803.db2.gz RZXHESKHUDHUEN-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cc(OC)c1O ZINC000368575172 499309307 /nfs/dbraw/zinc/30/93/07/499309307.db2.gz INWCAZYRLQOQIR-KDOFPFPSSA-N 2 1 362.495 3.254 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316553 499309457 /nfs/dbraw/zinc/30/94/57/499309457.db2.gz GMJXQVUDOOEPIT-RIVXBTQJSA-N 2 1 350.478 3.374 20 0 FGADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccc1F ZINC000371316553 499309459 /nfs/dbraw/zinc/30/94/59/499309459.db2.gz GMJXQVUDOOEPIT-RIVXBTQJSA-N 2 1 350.478 3.374 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3c(s2)C[NH+](C(C)C)CC3)[C@H](C)C1 ZINC000368610775 499313415 /nfs/dbraw/zinc/31/34/15/499313415.db2.gz DKHQPSYNCOCASB-WBVHZDCISA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@H](N(C)Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)[C@H](C)C1 ZINC000368610775 499313416 /nfs/dbraw/zinc/31/34/16/499313416.db2.gz DKHQPSYNCOCASB-WBVHZDCISA-N 2 1 350.576 3.072 20 0 FGADMP CC[NH+]1CC[C@H](N(C)Cc2nc3c(s2)C[N@H+](C(C)C)CC3)[C@H](C)C1 ZINC000368610775 499313417 /nfs/dbraw/zinc/31/34/17/499313417.db2.gz DKHQPSYNCOCASB-WBVHZDCISA-N 2 1 350.576 3.072 20 0 FGADMP C[C@H](c1c(F)cccc1F)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368825623 499336825 /nfs/dbraw/zinc/33/68/25/499336825.db2.gz ONOQQVQPTDVKTF-MRXNPFEDSA-N 2 1 351.485 3.375 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000371586027 499344727 /nfs/dbraw/zinc/34/47/27/499344727.db2.gz WABHJGCFGNXEFQ-HZPDHXFCSA-N 2 1 367.497 3.191 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)cc1 ZINC000371586027 499344729 /nfs/dbraw/zinc/34/47/29/499344729.db2.gz WABHJGCFGNXEFQ-HZPDHXFCSA-N 2 1 367.497 3.191 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1 ZINC000371589708 499345088 /nfs/dbraw/zinc/34/50/88/499345088.db2.gz VCRXYXKOFOINAZ-ZWKOTPCHSA-N 2 1 370.541 3.162 20 0 FGADMP Cc1ccc2cc(C[N@H+]3CC[C@H](N4CC[NH+](C)CC4)[C@H](C)C3)ccc2n1 ZINC000368930388 499347847 /nfs/dbraw/zinc/34/78/47/499347847.db2.gz KYGNWDDUXVTNDQ-VGSWGCGISA-N 2 1 352.526 3.001 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)CC1 ZINC000369186595 499375868 /nfs/dbraw/zinc/37/58/68/499375868.db2.gz DJYALRKEFOWBDO-UHFFFAOYSA-N 2 1 362.949 3.240 20 0 FGADMP COC1(C[C@@H](C)[NH2+]CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)CCC1 ZINC000369290353 499388314 /nfs/dbraw/zinc/38/83/14/499388314.db2.gz LUGYIDQUNXWJCE-GOSISDBHSA-N 3 1 351.579 3.120 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000369314663 499390792 /nfs/dbraw/zinc/39/07/92/499390792.db2.gz CVAWZGKUGSNMGK-WDSOQIARSA-N 2 1 358.530 3.042 20 0 FGADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c4cccnc34)C2)CC1 ZINC000369397074 499399443 /nfs/dbraw/zinc/39/94/43/499399443.db2.gz DBJHLRIKIFIYKT-SFHVURJKSA-N 2 1 372.944 3.489 20 0 FGADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000372390764 499427988 /nfs/dbraw/zinc/42/79/88/499427988.db2.gz XSYKZAZJCUKSKU-FPOVZHCZSA-N 2 1 360.546 3.093 20 0 FGADMP C[C@@H]1CC=CC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375323467 499507254 /nfs/dbraw/zinc/50/72/54/499507254.db2.gz GQIKCILTCQFJTE-WIYYLYMNSA-N 2 1 361.574 3.243 20 0 FGADMP CCN(CC)[C@@H](CNC(=O)N(C)Cc1cn2c(n1)CCCC2)c1ccco1 ZINC000375437830 499518819 /nfs/dbraw/zinc/51/88/19/499518819.db2.gz MBGRVWFTOYGTGN-KRWDZBQOSA-N 2 1 373.501 3.037 20 0 FGADMP Cc1cccc(N2CCC([NH2+][C@@H](c3cnn(C)c3)c3ccccc3)CC2)[nH+]1 ZINC000375522299 499528369 /nfs/dbraw/zinc/52/83/69/499528369.db2.gz GVSKOJDLEPHBBO-JOCHJYFZSA-N 2 1 361.493 3.472 20 0 FGADMP C[NH2+]CCc1ccccc1C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000382724595 499546211 /nfs/dbraw/zinc/54/62/11/499546211.db2.gz QTHIDTRXGUTZAW-UHFFFAOYSA-N 2 1 365.521 3.185 20 0 FGADMP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000383705811 499546942 /nfs/dbraw/zinc/54/69/42/499546942.db2.gz FGVLAWACRBHFAL-YADHBBJMSA-N 2 1 368.521 3.155 20 0 FGADMP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375745510 499551055 /nfs/dbraw/zinc/55/10/55/499551055.db2.gz QVKLHDFKRWJENV-KXZRCVDZSA-N 2 1 355.526 3.127 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n(C)c1C ZINC000398046470 499566120 /nfs/dbraw/zinc/56/61/20/499566120.db2.gz RJVBXTMSIQLIQN-IIBYNOLFSA-N 2 1 369.509 3.120 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)c1C ZINC000398046470 499566121 /nfs/dbraw/zinc/56/61/21/499566121.db2.gz RJVBXTMSIQLIQN-IIBYNOLFSA-N 2 1 369.509 3.120 20 0 FGADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000401789103 499569343 /nfs/dbraw/zinc/56/93/43/499569343.db2.gz VMNZDEHRBHDNQC-OAHLLOKOSA-N 2 1 350.260 3.229 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)COc1ccc(-c2ccccc2)cc1)C1=CC[N@@H+](C)CC1 ZINC000573238947 506150949 /nfs/dbraw/zinc/15/09/49/506150949.db2.gz FKDCPXWUBQWAGX-PGRDOPGGSA-N 2 1 366.505 3.333 20 0 FGADMP CC[C@@H](NCc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000376823383 499637680 /nfs/dbraw/zinc/63/76/80/499637680.db2.gz PBXQUQKJRCENOW-HXUWFJFHSA-N 2 1 373.520 3.250 20 0 FGADMP CC[C@@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)c1ccccc1F ZINC000376823383 499637681 /nfs/dbraw/zinc/63/76/81/499637681.db2.gz PBXQUQKJRCENOW-HXUWFJFHSA-N 2 1 373.520 3.250 20 0 FGADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1c1ccccc1 ZINC000410075979 499639801 /nfs/dbraw/zinc/63/98/01/499639801.db2.gz VVZQUKKUKXINKN-SJORKVTESA-N 2 1 368.506 3.405 20 0 FGADMP C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377334781 499680704 /nfs/dbraw/zinc/68/07/04/499680704.db2.gz DCVPNJZDAPNHGB-LZQZEXGQSA-N 2 1 352.482 3.462 20 0 FGADMP C[C@H](c1nc(C2CC2)no1)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377334779 499680849 /nfs/dbraw/zinc/68/08/49/499680849.db2.gz DCVPNJZDAPNHGB-AYOQOUSVSA-N 2 1 352.482 3.462 20 0 FGADMP c1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)oc1-c1ccccc1 ZINC000377512328 499698922 /nfs/dbraw/zinc/69/89/22/499698922.db2.gz NRQYRPHGHOFKLP-UHFFFAOYSA-N 2 1 355.482 3.276 20 0 FGADMP Cc1cc(CN2CC[NH+](Cc3ccc(C[NH+]4CCCCC4)cc3)CC2)on1 ZINC000411131765 499701397 /nfs/dbraw/zinc/70/13/97/499701397.db2.gz YBZJZISYYUKZHT-UHFFFAOYSA-N 2 1 368.525 3.287 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000377563681 499705040 /nfs/dbraw/zinc/70/50/40/499705040.db2.gz MBAAAKXXRCXACN-IERDGZPVSA-N 2 1 367.541 3.209 20 0 FGADMP C[N@H+](Cc1ccc(CSC(F)F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377619931 499711384 /nfs/dbraw/zinc/71/13/84/499711384.db2.gz DGYXFQKNYPQNLT-OAHLLOKOSA-N 2 1 373.513 3.336 20 0 FGADMP C[N@@H+](Cc1ccc(CSC(F)F)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377619931 499711385 /nfs/dbraw/zinc/71/13/85/499711385.db2.gz DGYXFQKNYPQNLT-OAHLLOKOSA-N 2 1 373.513 3.336 20 0 FGADMP COc1cc([C@H](C)[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1F ZINC000377649354 499715511 /nfs/dbraw/zinc/71/55/11/499715511.db2.gz MHKOWVVAEFCPRH-HNNXBMFYSA-N 2 1 350.478 3.471 20 0 FGADMP COc1cc([C@H](C)[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)ccc1F ZINC000377649354 499715512 /nfs/dbraw/zinc/71/55/12/499715512.db2.gz MHKOWVVAEFCPRH-HNNXBMFYSA-N 2 1 350.478 3.471 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680465 499719259 /nfs/dbraw/zinc/71/92/59/499719259.db2.gz QCXGNGXFBYIGCV-KKSFZXQISA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680465 499719260 /nfs/dbraw/zinc/71/92/60/499719260.db2.gz QCXGNGXFBYIGCV-KKSFZXQISA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CC[C@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680465 499719261 /nfs/dbraw/zinc/71/92/61/499719261.db2.gz QCXGNGXFBYIGCV-KKSFZXQISA-N 2 1 352.482 3.186 20 0 FGADMP C[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377698287 499721498 /nfs/dbraw/zinc/72/14/98/499721498.db2.gz LSJZKDFYWMMNME-UHFFFAOYSA-N 2 1 361.493 3.427 20 0 FGADMP COC(=O)C[C@H]1CSCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411340981 499727594 /nfs/dbraw/zinc/72/75/94/499727594.db2.gz BNIXIZNCPWZKDC-IBGZPJMESA-N 2 1 362.539 3.153 20 0 FGADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834216 499740510 /nfs/dbraw/zinc/74/05/10/499740510.db2.gz JVHUVEHYQNIPPC-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834216 499740511 /nfs/dbraw/zinc/74/05/11/499740511.db2.gz JVHUVEHYQNIPPC-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CC2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000377834216 499740512 /nfs/dbraw/zinc/74/05/12/499740512.db2.gz JVHUVEHYQNIPPC-ROUUACIJSA-N 2 1 351.535 3.050 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000411455694 499742745 /nfs/dbraw/zinc/74/27/45/499742745.db2.gz YWSHDGOJKZTBKS-MCEIDBOGSA-N 2 1 358.526 3.133 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)Cc2ccco2)cc1 ZINC000411474794 499745332 /nfs/dbraw/zinc/74/53/32/499745332.db2.gz MCNFGHXTNCTLPK-HNNXBMFYSA-N 2 1 352.438 3.083 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000377983574 499753177 /nfs/dbraw/zinc/75/31/77/499753177.db2.gz BADJTAYMRFAZEP-JBACZVJFSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000377983574 499753178 /nfs/dbraw/zinc/75/31/78/499753178.db2.gz BADJTAYMRFAZEP-JBACZVJFSA-N 2 1 357.542 3.230 20 0 FGADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000377983574 499753180 /nfs/dbraw/zinc/75/31/80/499753180.db2.gz BADJTAYMRFAZEP-JBACZVJFSA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@]1(CO)CCC[N@@H+](CC[C@H](C)CC[NH+]2CCC[C@](CC)(CO)C2)C1 ZINC000411573183 499764719 /nfs/dbraw/zinc/76/47/19/499764719.db2.gz SLTOUKZYXWTMOY-KOUNCHBCSA-N 2 1 368.606 3.372 20 0 FGADMP CC[C@@]1(CO)CCC[NH+](CC[C@H](C)CC[N@@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000411573183 499764720 /nfs/dbraw/zinc/76/47/20/499764720.db2.gz SLTOUKZYXWTMOY-KOUNCHBCSA-N 2 1 368.606 3.372 20 0 FGADMP CC[C@@]1(CO)CCC[NH+](CC[C@H](C)CC[N@H+]2CCC[C@](CC)(CO)C2)C1 ZINC000411573183 499764721 /nfs/dbraw/zinc/76/47/21/499764721.db2.gz SLTOUKZYXWTMOY-KOUNCHBCSA-N 2 1 368.606 3.372 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411630221 499770920 /nfs/dbraw/zinc/77/09/20/499770920.db2.gz HCZCUDYIXFOAIK-SFHVURJKSA-N 2 1 358.461 3.102 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411630221 499770922 /nfs/dbraw/zinc/77/09/22/499770922.db2.gz HCZCUDYIXFOAIK-SFHVURJKSA-N 2 1 358.461 3.102 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CC1CCOCC1 ZINC000414257553 499771972 /nfs/dbraw/zinc/77/19/72/499771972.db2.gz FJMZBPSCILPXHR-STZQEDGTSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CC1CCOCC1 ZINC000414257553 499771974 /nfs/dbraw/zinc/77/19/74/499771974.db2.gz FJMZBPSCILPXHR-STZQEDGTSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000414257615 499772015 /nfs/dbraw/zinc/77/20/15/499772015.db2.gz FLPQFFFVQFWSLI-GXRSIYKFSA-N 2 1 360.542 3.318 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@@H]1CCOC ZINC000414257615 499772017 /nfs/dbraw/zinc/77/20/17/499772017.db2.gz FLPQFFFVQFWSLI-GXRSIYKFSA-N 2 1 360.542 3.318 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1ccc(F)cc1 ZINC000414294440 499775130 /nfs/dbraw/zinc/77/51/30/499775130.db2.gz QCGWPUPVBUZUGQ-BAMDZGJYSA-N 2 1 368.496 3.402 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)c(C)c3)C2)CC1 ZINC000414378900 499783235 /nfs/dbraw/zinc/78/32/35/499783235.db2.gz BTXSKWHGHRKIHG-KRWDZBQOSA-N 2 1 355.448 3.226 20 0 FGADMP C[C@](CO)([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)c1cccc(O)c1 ZINC000411733162 499784285 /nfs/dbraw/zinc/78/42/85/499784285.db2.gz FPPPVKVNYUZCRF-JOCHJYFZSA-N 2 1 354.494 3.375 20 0 FGADMP O[C@@H]([C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1)C(F)(F)F ZINC000411793062 499791451 /nfs/dbraw/zinc/79/14/51/499791451.db2.gz BBIAUKWFPBNSNW-MSOLQXFVSA-N 2 1 356.432 3.418 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C1(CO)CCOCC1 ZINC000412010380 499812485 /nfs/dbraw/zinc/81/24/85/499812485.db2.gz LLSGRTVIQNKKMO-HXUWFJFHSA-N 2 1 357.498 3.092 20 0 FGADMP [NH3+]C1(c2noc([C@@H]3C[N@@H+](Cc4ccccc4)CCC3(F)F)n2)CCCC1 ZINC000414631764 499815399 /nfs/dbraw/zinc/81/53/99/499815399.db2.gz XQUGXWMZYCOYRU-HNNXBMFYSA-N 2 1 362.424 3.422 20 0 FGADMP C[C@H]1c2cc(Cl)cc(Cl)c2CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753835 499826938 /nfs/dbraw/zinc/82/69/38/499826938.db2.gz NAVZACBUABYYNH-STQMWFEESA-N 2 1 370.324 3.110 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC12CCOCC2 ZINC000414772490 499829291 /nfs/dbraw/zinc/82/92/91/499829291.db2.gz BWMHIEBSKRLHHH-ZDUSSCGKSA-N 2 1 360.832 3.129 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)CC12CCOCC2 ZINC000414772490 499829292 /nfs/dbraw/zinc/82/92/92/499829292.db2.gz BWMHIEBSKRLHHH-ZDUSSCGKSA-N 2 1 360.832 3.129 20 0 FGADMP c1ccc(COc2cccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)nc1 ZINC000414774750 499829579 /nfs/dbraw/zinc/82/95/79/499829579.db2.gz FWMCRUZNMQABHF-VQTJNVASSA-N 2 1 351.494 3.482 20 0 FGADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414783825 499830759 /nfs/dbraw/zinc/83/07/59/499830759.db2.gz QPQUUWOJNXHRAF-ZWKOTPCHSA-N 2 1 356.489 3.450 20 0 FGADMP COc1cc(Br)c(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414809024 499833447 /nfs/dbraw/zinc/83/34/47/499833447.db2.gz TUMGWPCNMOSACN-RISCZKNCSA-N 2 1 357.292 3.073 20 0 FGADMP COc1cc(Br)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1O ZINC000414810068 499833486 /nfs/dbraw/zinc/83/34/86/499833486.db2.gz NIUVIPGKNGEPCX-NSHDSACASA-N 2 1 365.271 3.473 20 0 FGADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(Br)cc1 ZINC000414819035 499834477 /nfs/dbraw/zinc/83/44/77/499834477.db2.gz XQNHUGJCZLCTNI-DOMZBBRYSA-N 2 1 356.308 3.273 20 0 FGADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000414842271 499836890 /nfs/dbraw/zinc/83/68/90/499836890.db2.gz OFHBPYIPMFHNFX-GXTWGEPZSA-N 2 1 361.408 3.265 20 0 FGADMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccn1 ZINC000414862068 499838831 /nfs/dbraw/zinc/83/88/31/499838831.db2.gz UOLLQKULEHAMOD-UHFFFAOYSA-N 2 1 364.287 3.122 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[NH2+][C@H]3CC[NH2+][C@@H](C)C3)c2)cc1 ZINC000414958388 499848921 /nfs/dbraw/zinc/84/89/21/499848921.db2.gz WQCJUWPEFYEBKX-YJBOKZPZSA-N 2 1 353.466 3.178 20 0 FGADMP O=C(C1CCCCC1)N1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000415090508 499862527 /nfs/dbraw/zinc/86/25/27/499862527.db2.gz PBTIDMDDCGNJJC-PCCBWWKXSA-N 2 1 355.526 3.251 20 0 FGADMP CC(=O)N1CC[NH+](Cc2ccccc2N[C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415101318 499863765 /nfs/dbraw/zinc/86/37/65/499863765.db2.gz HRDWPSDWAVUPFQ-NQIIRXRSSA-N 2 1 372.557 3.073 20 0 FGADMP c1ccc([C@H]2C[C@H]([NH2+]CC3(N4CCOCC4)CCCCC3)CC[NH2+]2)cc1 ZINC000415110788 499865107 /nfs/dbraw/zinc/86/51/07/499865107.db2.gz QQFOCGIRUKBWCQ-NHCUHLMSSA-N 2 1 357.542 3.104 20 0 FGADMP C[C@@H]1CC[N@@H+](Cc2cn(-c3ccccc3)nc2-c2cccnc2)C[C@@H]1C[NH3+] ZINC000415123200 499866411 /nfs/dbraw/zinc/86/64/11/499866411.db2.gz JEBSBURDQUQRNM-MJGOQNOKSA-N 2 1 361.493 3.351 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)c2)cc1 ZINC000415134168 499868866 /nfs/dbraw/zinc/86/88/66/499868866.db2.gz VRSASPOWHTVGED-LPHOPBHVSA-N 2 1 367.493 3.364 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000415905294 499926465 /nfs/dbraw/zinc/92/64/65/499926465.db2.gz URWGCDSOYYDRGV-GOSISDBHSA-N 2 1 360.889 3.484 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000415915124 499928020 /nfs/dbraw/zinc/92/80/20/499928020.db2.gz YGKZSDUVQCPZDL-KRWDZBQOSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000415915124 499928021 /nfs/dbraw/zinc/92/80/21/499928021.db2.gz YGKZSDUVQCPZDL-KRWDZBQOSA-N 2 1 352.482 3.144 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000415914029 499928068 /nfs/dbraw/zinc/92/80/68/499928068.db2.gz UBTKEYWRHSUKQO-XLIONFOSSA-N 2 1 366.509 3.438 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000415943012 499931529 /nfs/dbraw/zinc/93/15/29/499931529.db2.gz LERHIIBZHOLSBU-HXUWFJFHSA-N 2 1 352.482 3.144 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415961363 499933948 /nfs/dbraw/zinc/93/39/48/499933948.db2.gz RBXPLNXHJRAMLY-MRXNPFEDSA-N 2 1 362.493 3.248 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)C1CC1 ZINC000415963562 499934450 /nfs/dbraw/zinc/93/44/50/499934450.db2.gz VFYITHPVNCCTQV-FQEVSTJZSA-N 2 1 352.482 3.177 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972289 499935666 /nfs/dbraw/zinc/93/56/66/499935666.db2.gz HZIFPYRLEGSAKP-JXFKEZNVSA-N 2 1 352.482 3.177 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000415979604 499936888 /nfs/dbraw/zinc/93/68/88/499936888.db2.gz DTCFKCOEYYGFDT-JXFKEZNVSA-N 2 1 352.482 3.048 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cc1 ZINC000415984167 499937528 /nfs/dbraw/zinc/93/75/28/499937528.db2.gz OYCCYUJDRGJDKT-JXFKEZNVSA-N 2 1 352.482 3.191 20 0 FGADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415996947 499939134 /nfs/dbraw/zinc/93/91/34/499939134.db2.gz OLJZXAMSHJMILF-GOSISDBHSA-N 2 1 364.493 3.276 20 0 FGADMP [NH3+]Cc1ccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000570425233 506165929 /nfs/dbraw/zinc/16/59/29/506165929.db2.gz MNIBAZVFAMONPJ-VQTJNVASSA-N 2 1 364.493 3.131 20 0 FGADMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041066 499992871 /nfs/dbraw/zinc/99/28/71/499992871.db2.gz OAPKXHFFMRQYBG-JTHBVZDNSA-N 2 1 366.505 3.121 20 0 FGADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041066 499992873 /nfs/dbraw/zinc/99/28/73/499992873.db2.gz OAPKXHFFMRQYBG-JTHBVZDNSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041066 499992876 /nfs/dbraw/zinc/99/28/76/499992876.db2.gz OAPKXHFFMRQYBG-JTHBVZDNSA-N 2 1 366.505 3.121 20 0 FGADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000429041066 499992878 /nfs/dbraw/zinc/99/28/78/499992878.db2.gz OAPKXHFFMRQYBG-JTHBVZDNSA-N 2 1 366.505 3.121 20 0 FGADMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000429336922 500054891 /nfs/dbraw/zinc/05/48/91/500054891.db2.gz WYBKBEPCQIOHRJ-SFHVURJKSA-N 2 1 367.468 3.322 20 0 FGADMP CC(C)C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000429364310 500060449 /nfs/dbraw/zinc/06/04/49/500060449.db2.gz QSGFHQSSGWZPTE-FBBABVLZSA-N 2 1 357.542 3.495 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(Cc3ncc[nH]3)CC2)cc1)C1CC1 ZINC000425300604 500069081 /nfs/dbraw/zinc/06/90/81/500069081.db2.gz HQSXZOPWPNZBEE-UHFFFAOYSA-N 2 1 366.509 3.489 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(Cc3[nH]cc[nH+]3)CC2)cc1)C1CC1 ZINC000425300604 500069087 /nfs/dbraw/zinc/06/90/87/500069087.db2.gz HQSXZOPWPNZBEE-UHFFFAOYSA-N 2 1 366.509 3.489 20 0 FGADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC(C)C ZINC000425463261 500112807 /nfs/dbraw/zinc/11/28/07/500112807.db2.gz VXUZQQYCWTVWQW-LJQANCHMSA-N 2 1 351.579 3.466 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000416845416 500136747 /nfs/dbraw/zinc/13/67/47/500136747.db2.gz RRZCPDNDIFNFKP-SFTDATJTSA-N 2 1 366.509 3.040 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1Cl ZINC000582289481 506178414 /nfs/dbraw/zinc/17/84/14/506178414.db2.gz KXZPTLLCATZVEO-SFHVURJKSA-N 2 1 358.873 3.368 20 0 FGADMP CON1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000421869847 500166914 /nfs/dbraw/zinc/16/69/14/500166914.db2.gz DRWMGXBKPMXVNK-CEMLEFRQSA-N 2 1 357.542 3.293 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC[C@H](CC[NH3+])C3)cc2)C1 ZINC000416966700 500168708 /nfs/dbraw/zinc/16/87/08/500168708.db2.gz FXWDTMNHZZHKOV-AZUAARDMSA-N 2 1 372.557 3.189 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000416980388 500174039 /nfs/dbraw/zinc/17/40/39/500174039.db2.gz TXZNFWNIMSTDBJ-YLJYHZDGSA-N 2 1 358.530 3.002 20 0 FGADMP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)C1 ZINC000416984160 500174944 /nfs/dbraw/zinc/17/49/44/500174944.db2.gz XUABVRNATAUOFR-RTBURBONSA-N 2 1 372.557 3.202 20 0 FGADMP CCCN(C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416985041 500175562 /nfs/dbraw/zinc/17/55/62/500175562.db2.gz YJBONBJTOYRJQI-WIYYLYMNSA-N 2 1 372.557 3.345 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(C[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1 ZINC000416992156 500177899 /nfs/dbraw/zinc/17/78/99/500177899.db2.gz OSUDQKOPERDKEE-TWFHAPMSSA-N 2 1 372.557 3.043 20 0 FGADMP CC[NH2+]CC1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000417837479 500181387 /nfs/dbraw/zinc/18/13/87/500181387.db2.gz MKWAUYMQIVSMSR-NQIIRXRSSA-N 2 1 372.557 3.071 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000417869816 500188361 /nfs/dbraw/zinc/18/83/61/500188361.db2.gz FFIORPSMJARKKO-OAQYLSRUSA-N 2 1 360.546 3.189 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000417927774 500199348 /nfs/dbraw/zinc/19/93/48/500199348.db2.gz QLFMTSCDDJXAEK-SLYNCCJLSA-N 2 1 372.557 3.104 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H]1c1ccccc1 ZINC000417950162 500202832 /nfs/dbraw/zinc/20/28/32/500202832.db2.gz VVXYHDUDNBCINY-ACRUOGEOSA-N 2 1 366.509 3.211 20 0 FGADMP C[C@H](C[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+](C)C ZINC000425917330 500211873 /nfs/dbraw/zinc/21/18/73/500211873.db2.gz GSQUFBOWHSZYFT-HZPDHXFCSA-N 2 1 352.544 3.251 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)CC1 ZINC000430244197 500214677 /nfs/dbraw/zinc/21/46/77/500214677.db2.gz WFSYLTXKVRPWBZ-JOCHJYFZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000430244197 500214679 /nfs/dbraw/zinc/21/46/79/500214679.db2.gz WFSYLTXKVRPWBZ-JOCHJYFZSA-N 2 1 372.557 3.167 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000430244197 500214680 /nfs/dbraw/zinc/21/46/80/500214680.db2.gz WFSYLTXKVRPWBZ-JOCHJYFZSA-N 2 1 372.557 3.167 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)c1 ZINC000425986828 500221351 /nfs/dbraw/zinc/22/13/51/500221351.db2.gz HDAKNATVJNCOCI-HDICACEKSA-N 2 1 368.477 3.490 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH+](C)C[C@H]4C3)cc2)c1 ZINC000425986828 500221353 /nfs/dbraw/zinc/22/13/53/500221353.db2.gz HDAKNATVJNCOCI-HDICACEKSA-N 2 1 368.477 3.490 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[NH+]3C[C@H]4C[N@@H+](C)C[C@H]4C3)cc2)c1 ZINC000425986828 500221356 /nfs/dbraw/zinc/22/13/56/500221356.db2.gz HDAKNATVJNCOCI-HDICACEKSA-N 2 1 368.477 3.490 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[NH+]3C[C@H]4C[N@H+](C)C[C@H]4C3)cc2)c1 ZINC000425986828 500221357 /nfs/dbraw/zinc/22/13/57/500221357.db2.gz HDAKNATVJNCOCI-HDICACEKSA-N 2 1 368.477 3.490 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000422245430 500240466 /nfs/dbraw/zinc/24/04/66/500240466.db2.gz OWSHAZXJAFMRPE-UHFFFAOYSA-N 2 1 364.578 3.157 20 0 FGADMP CCCN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418308493 500260569 /nfs/dbraw/zinc/26/05/69/500260569.db2.gz BTNCTBOGGKXYQN-RTWAWAEBSA-N 2 1 372.557 3.072 20 0 FGADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000418354373 500267638 /nfs/dbraw/zinc/26/76/38/500267638.db2.gz OJEXOULQWFLONP-WOJBJXKFSA-N 2 1 360.546 3.326 20 0 FGADMP [NH3+]CC1(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCCC1 ZINC000430705585 500272623 /nfs/dbraw/zinc/27/26/23/500272623.db2.gz LGWLAPVTHSKINY-NRFANRHFSA-N 2 1 355.526 3.020 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1)CC1CC1 ZINC000418407477 500272847 /nfs/dbraw/zinc/27/28/47/500272847.db2.gz FPBDPAFXEJOPAX-WOJBJXKFSA-N 2 1 364.578 3.048 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000418407838 500273074 /nfs/dbraw/zinc/27/30/74/500273074.db2.gz MDCVTXZCUDKRMQ-WLRLJWMZSA-N 2 1 372.557 3.198 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000418427617 500275518 /nfs/dbraw/zinc/27/55/18/500275518.db2.gz OMPWPZUQUIWYDK-UHFFFAOYSA-N 2 1 372.557 3.202 20 0 FGADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000430729101 500275821 /nfs/dbraw/zinc/27/58/21/500275821.db2.gz FFLYGRNZUGZQKU-FBBABVLZSA-N 2 1 357.542 3.379 20 0 FGADMP C[C@@H]([NH3+])c1ccc(CNC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000418485360 500282782 /nfs/dbraw/zinc/28/27/82/500282782.db2.gz HCNAWHGQFJRXFD-QGZVFWFLSA-N 2 1 368.525 3.416 20 0 FGADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000422640708 500285520 /nfs/dbraw/zinc/28/55/20/500285520.db2.gz VVVPNGQWUXXJDM-RDBSUJKOSA-N 2 1 368.319 3.083 20 0 FGADMP C[C@@H]1CCC[C@](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)(N(C)C)C1 ZINC000422738414 500292651 /nfs/dbraw/zinc/29/26/51/500292651.db2.gz JBLBUSFGKCLXOT-CMCXCUNFSA-N 2 1 357.542 3.342 20 0 FGADMP CN(C)Cc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)ccc1F ZINC000422746274 500294016 /nfs/dbraw/zinc/29/40/16/500294016.db2.gz NOZZTTJKSZXAAH-IFMALSPDSA-N 2 1 369.484 3.233 20 0 FGADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)N2CCCC2)c1 ZINC000422760337 500294940 /nfs/dbraw/zinc/29/49/40/500294940.db2.gz LVGLBPWIGAXSFA-YSFYHYPLSA-N 2 1 357.542 3.342 20 0 FGADMP CCc1ccc([C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])c2cccc(S(C)(=O)=O)c2)cc1 ZINC000422790485 500298237 /nfs/dbraw/zinc/29/82/37/500298237.db2.gz CCAPNKWEQIOFEL-MRUHUIDDSA-N 2 1 374.550 3.457 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418640641 500299411 /nfs/dbraw/zinc/29/94/11/500299411.db2.gz RBYHFKQSQQZVET-NRFANRHFSA-N 2 1 372.557 3.027 20 0 FGADMP C[C@@H]([NH2+]C[C@H](C)Oc1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422800211 500299699 /nfs/dbraw/zinc/29/96/99/500299699.db2.gz ZOLFGZZXODQUHB-NWDGAFQWSA-N 2 1 350.260 3.375 20 0 FGADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000422809066 500300740 /nfs/dbraw/zinc/30/07/40/500300740.db2.gz RFLAQHKQPWFGAH-HRAATJIYSA-N 2 1 351.494 3.473 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422834537 500303549 /nfs/dbraw/zinc/30/35/49/500303549.db2.gz ZTGAOUHPMLCYDW-HOTGVXAUSA-N 2 1 359.857 3.412 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)Oc1ccccc1Br ZINC000422833962 500303609 /nfs/dbraw/zinc/30/36/09/500303609.db2.gz HFPXUVMWGHBCQR-RYUDHWBXSA-N 2 1 350.260 3.375 20 0 FGADMP [NH3+]CCC[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000418660606 500303715 /nfs/dbraw/zinc/30/37/15/500303715.db2.gz OFEGXMZMKPTDGY-HLAWJBBLSA-N 2 1 370.541 3.125 20 0 FGADMP CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418663377 500304137 /nfs/dbraw/zinc/30/41/37/500304137.db2.gz GQKFRHJRLPQKQX-SFHLNBCPSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418675904 500305979 /nfs/dbraw/zinc/30/59/79/500305979.db2.gz ROFZKRSLZASBEJ-NRSPTQNISA-N 2 1 372.557 3.200 20 0 FGADMP CC[C@H]([NH3+])CNC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418687762 500307975 /nfs/dbraw/zinc/30/79/75/500307975.db2.gz AIJTWMKAXBHSJC-NRFANRHFSA-N 2 1 368.525 3.068 20 0 FGADMP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[N@@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000418701387 500309530 /nfs/dbraw/zinc/30/95/30/500309530.db2.gz GGYQOPLZRFZDJF-MOPGFXCFSA-N 2 1 368.525 3.066 20 0 FGADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(NC(=O)[C@H]2CCCO2)c1 ZINC000422902733 500313903 /nfs/dbraw/zinc/31/39/03/500313903.db2.gz NHRIIYLSCYJNPS-IMFGXOCKSA-N 2 1 359.514 3.205 20 0 FGADMP Cc1ccc(NC(=O)Cc2nc(C[NH+]3CCC([C@H](C)[NH3+])CC3)cs2)cc1 ZINC000430965902 500314353 /nfs/dbraw/zinc/31/43/53/500314353.db2.gz LVNABRZQACGAIZ-HNNXBMFYSA-N 2 1 372.538 3.192 20 0 FGADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000422908697 500314937 /nfs/dbraw/zinc/31/49/37/500314937.db2.gz ZAOIXOMJJREDEG-AUSIDOKSSA-N 2 1 351.538 3.447 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418735020 500315220 /nfs/dbraw/zinc/31/52/20/500315220.db2.gz VXNHJFNKGCFUCA-VQTJNVASSA-N 2 1 366.594 3.294 20 0 FGADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(F)c(I)c1 ZINC000423268625 500360499 /nfs/dbraw/zinc/36/04/99/500360499.db2.gz GRONVJMHCNOFTB-TVQRCGJNSA-N 2 1 350.219 3.064 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422935992 500319733 /nfs/dbraw/zinc/31/97/33/500319733.db2.gz LNKCBZNVHSURFE-NSHDSACASA-N 2 1 364.287 3.471 20 0 FGADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc(OC2CCCCC2)n1 ZINC000422971155 500325562 /nfs/dbraw/zinc/32/55/62/500325562.db2.gz IACVTYHDAVOZQI-ZCNNSNEGSA-N 2 1 359.514 3.040 20 0 FGADMP CCC[N@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431068669 500330705 /nfs/dbraw/zinc/33/07/05/500330705.db2.gz IUHNPXHPBVZKCD-SFHVURJKSA-N 2 1 351.922 3.371 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@@H](CC)c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000431068669 500330708 /nfs/dbraw/zinc/33/07/08/500330708.db2.gz IUHNPXHPBVZKCD-SFHVURJKSA-N 2 1 351.922 3.371 20 0 FGADMP N[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)c2ccccc21 ZINC000423020087 500331673 /nfs/dbraw/zinc/33/16/73/500331673.db2.gz YQTPSKAALGTHBM-XZOQPEGZSA-N 2 1 365.521 3.438 20 0 FGADMP CCC[N@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C1CC[NH2+]CC1 ZINC000431076657 500332783 /nfs/dbraw/zinc/33/27/83/500332783.db2.gz LGAGOZGTQHQSCE-QGZVFWFLSA-N 2 1 357.542 3.207 20 0 FGADMP CCC[N@@H+](CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C1CC[NH2+]CC1 ZINC000431076657 500332784 /nfs/dbraw/zinc/33/27/84/500332784.db2.gz LGAGOZGTQHQSCE-QGZVFWFLSA-N 2 1 357.542 3.207 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423036482 500333929 /nfs/dbraw/zinc/33/39/29/500333929.db2.gz UDHWTVYBLSJQGL-MYDTUXCISA-N 3 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423036482 500333931 /nfs/dbraw/zinc/33/39/31/500333931.db2.gz UDHWTVYBLSJQGL-MYDTUXCISA-N 2 1 371.569 3.044 20 0 FGADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423036482 500333933 /nfs/dbraw/zinc/33/39/33/500333933.db2.gz UDHWTVYBLSJQGL-MYDTUXCISA-N 2 1 371.569 3.044 20 0 FGADMP CCC[N@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431090432 500334662 /nfs/dbraw/zinc/33/46/62/500334662.db2.gz YSKCYAUVSAKHIQ-UHFFFAOYSA-N 2 1 363.521 3.417 20 0 FGADMP CCC[N@@H+](CC(=O)N(Cc1cccc(F)c1)C(C)(C)C)C1CC[NH2+]CC1 ZINC000431090432 500334664 /nfs/dbraw/zinc/33/46/64/500334664.db2.gz YSKCYAUVSAKHIQ-UHFFFAOYSA-N 2 1 363.521 3.417 20 0 FGADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Br)ccc1Br ZINC000423051239 500335850 /nfs/dbraw/zinc/33/58/50/500335850.db2.gz MSYGQTWXISXGHZ-RNCFNFMXSA-N 2 1 362.109 3.429 20 0 FGADMP CCC[N@H+](C)[C@H](CN[C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097344 500342008 /nfs/dbraw/zinc/34/20/08/500342008.db2.gz AOLLFIWUPTWLKR-ATZDWAIDSA-N 2 1 353.938 3.080 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@H](C)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423097344 500342011 /nfs/dbraw/zinc/34/20/11/500342011.db2.gz AOLLFIWUPTWLKR-ATZDWAIDSA-N 2 1 353.938 3.080 20 0 FGADMP O=C1[C@@H]([NH+]2CCC(C[NH+]3CCCC3)CC2)CCN1c1cccc(Cl)c1 ZINC000426994860 500342508 /nfs/dbraw/zinc/34/25/08/500342508.db2.gz KNPILTHJQWZQBA-IBGZPJMESA-N 2 1 361.917 3.253 20 0 FGADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cc1 ZINC000423110956 500344072 /nfs/dbraw/zinc/34/40/72/500344072.db2.gz VKXMKQNEFTYIKH-RYRKJORJSA-N 2 1 352.544 3.442 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126588 500345892 /nfs/dbraw/zinc/34/58/92/500345892.db2.gz BBUBMADODMESMN-FKBYEOEOSA-N 3 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126588 500345893 /nfs/dbraw/zinc/34/58/93/500345893.db2.gz BBUBMADODMESMN-FKBYEOEOSA-N 2 1 371.569 3.022 20 0 FGADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000423126588 500345894 /nfs/dbraw/zinc/34/58/94/500345894.db2.gz BBUBMADODMESMN-FKBYEOEOSA-N 2 1 371.569 3.022 20 0 FGADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@@H]1CCCC[NH2+]1 ZINC000423127638 500346019 /nfs/dbraw/zinc/34/60/19/500346019.db2.gz CGTQQNWQFLFDLL-BVSLBCMMSA-N 3 1 371.569 3.035 20 0 FGADMP [NH3+]CC1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000423132634 500346503 /nfs/dbraw/zinc/34/65/03/500346503.db2.gz JPAYLUTUTVDUPC-IRQNMHNUSA-N 3 1 371.569 3.022 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423180198 500352102 /nfs/dbraw/zinc/35/21/02/500352102.db2.gz KHWVUOGDYVVRRU-BMXMUORJSA-N 2 1 371.569 3.034 20 0 FGADMP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423180198 500352105 /nfs/dbraw/zinc/35/21/05/500352105.db2.gz KHWVUOGDYVVRRU-BMXMUORJSA-N 2 1 371.569 3.034 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]Cc1cccnc1 ZINC000423187785 500353182 /nfs/dbraw/zinc/35/31/82/500353182.db2.gz MTMMUADAGLRAJO-DENIHFKCSA-N 2 1 352.526 3.062 20 0 FGADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423193648 500354237 /nfs/dbraw/zinc/35/42/37/500354237.db2.gz XQBZQXMFECZEQZ-NRFANRHFSA-N 2 1 361.493 3.414 20 0 FGADMP CCc1ccc([C@H](CNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](CC)CC)cc1 ZINC000431281414 500358684 /nfs/dbraw/zinc/35/86/84/500358684.db2.gz FNMQVXGKHMAONW-UIFIKXQLSA-N 2 1 374.573 3.414 20 0 FGADMP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+]1C[C@@H](C)[C@@H](C)[C@@H]1C ZINC000419378547 500359383 /nfs/dbraw/zinc/35/93/83/500359383.db2.gz VUNAFDSGINCCRM-AKHDSKFASA-N 2 1 357.542 3.132 20 0 FGADMP [NH3+]CC1(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000423297646 500362419 /nfs/dbraw/zinc/36/24/19/500362419.db2.gz LDUDSQSLYBLGNE-UHFFFAOYSA-N 2 1 363.505 3.049 20 0 FGADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H](N2C(=O)c3ccccc3C2=O)C1 ZINC000423303535 500362788 /nfs/dbraw/zinc/36/27/88/500362788.db2.gz XFBAKSPXISZRNQ-BBWFWOEESA-N 2 1 357.498 3.091 20 0 FGADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423334263 500364876 /nfs/dbraw/zinc/36/48/76/500364876.db2.gz SMYFFZZFYAFWMG-INIZCTEOSA-N 2 1 350.466 3.445 20 0 FGADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423340691 500365523 /nfs/dbraw/zinc/36/55/23/500365523.db2.gz SZBFURXRSUNJMH-SHWNOYPMSA-N 2 1 374.525 3.242 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1 ZINC000423356495 500366698 /nfs/dbraw/zinc/36/66/98/500366698.db2.gz JYPIZLSPXGYVFX-JKSUJKDBSA-N 2 1 357.523 3.410 20 0 FGADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423397892 500370552 /nfs/dbraw/zinc/37/05/52/500370552.db2.gz CJMPTKGWPROVLY-BDTNDASRSA-N 3 1 371.569 3.035 20 0 FGADMP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)CC[NH2+]CC1 ZINC000423397892 500370555 /nfs/dbraw/zinc/37/05/55/500370555.db2.gz CJMPTKGWPROVLY-BDTNDASRSA-N 2 1 371.569 3.035 20 0 FGADMP C[C@H](Nc1nc2ccc(F)cc2n1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000431416047 500374326 /nfs/dbraw/zinc/37/43/26/500374326.db2.gz ULSIDNPFRVYXNK-DOTOQJQBSA-N 2 1 352.457 3.457 20 0 FGADMP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c(F)cn1 ZINC000423465791 500376758 /nfs/dbraw/zinc/37/67/58/500376758.db2.gz HWQLRUBBRPGYME-JLJPHGGASA-N 2 1 361.436 3.412 20 0 FGADMP COCCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000423514564 500381288 /nfs/dbraw/zinc/38/12/88/500381288.db2.gz UADATTYAYIJEOF-XVAXZDLZSA-N 2 1 363.521 3.099 20 0 FGADMP C[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cccc(OCC[NH+](C)C)c1 ZINC000423529642 500383217 /nfs/dbraw/zinc/38/32/17/500383217.db2.gz QEKCWMINWKDTQD-WZCXMZMXSA-N 3 1 371.569 3.431 20 0 FGADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)c(C)c1OC ZINC000423536669 500383810 /nfs/dbraw/zinc/38/38/10/500383810.db2.gz ZWBXMENRAULKAC-UIAACRFSSA-N 2 1 354.494 3.288 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CC[C@@H]5C[NH2+]C[C@@H]5C4)[C@@H]3C2)cc1 ZINC000423551898 500384309 /nfs/dbraw/zinc/38/43/09/500384309.db2.gz URQNWFPVWTZSLK-XNZMWDKWSA-N 3 1 353.554 3.265 20 0 FGADMP CC[C@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000423826033 500406933 /nfs/dbraw/zinc/40/69/33/500406933.db2.gz OBIUGWOBPQVWRP-SFTDATJTSA-N 2 1 351.494 3.200 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)CCC2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423906554 500417861 /nfs/dbraw/zinc/41/78/61/500417861.db2.gz QLRJVGIIESFRLC-GHTZIAJQSA-N 2 1 357.542 3.183 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)cc1 ZINC000420299920 500436545 /nfs/dbraw/zinc/43/65/45/500436545.db2.gz JRPUGBVJZBACER-DENIHFKCSA-N 2 1 354.494 3.109 20 0 FGADMP CC(C)[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H](O)COc1cccc2ccccc21 ZINC000420303011 500437848 /nfs/dbraw/zinc/43/78/48/500437848.db2.gz KFRUBGFJNUJXOI-QUCCMNQESA-N 2 1 356.510 3.290 20 0 FGADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1c1ccccc1Cl ZINC000420330589 500442314 /nfs/dbraw/zinc/44/23/14/500442314.db2.gz QEZQHISFTCOWAA-TXPKVOOTSA-N 2 1 361.917 3.157 20 0 FGADMP CC(C)(C)c1cccc(OCCC[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420329810 500442427 /nfs/dbraw/zinc/44/24/27/500442427.db2.gz PAFABPPJWQFSQE-IBGZPJMESA-N 2 1 360.542 3.440 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000420327288 500442447 /nfs/dbraw/zinc/44/24/47/500442447.db2.gz YDQSCKDTZODBPW-IEBWSBKVSA-N 2 1 360.523 3.480 20 0 FGADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338277 500444139 /nfs/dbraw/zinc/44/41/39/500444139.db2.gz KNZKHGRQQAKKDL-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1Cl ZINC000420338277 500444140 /nfs/dbraw/zinc/44/41/40/500444140.db2.gz KNZKHGRQQAKKDL-QWHCGFSZSA-N 2 1 356.297 3.253 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(Cl)cc2Cl)CC12CCOCC2 ZINC000420336548 500444210 /nfs/dbraw/zinc/44/42/10/500444210.db2.gz VUXHIVCYUMVWJA-ZDUSSCGKSA-N 2 1 359.297 3.060 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345013 500445697 /nfs/dbraw/zinc/44/56/97/500445697.db2.gz VOBDQJCNHDXNJM-STQMWFEESA-N 2 1 356.297 3.253 20 0 FGADMP COc1ccc([C@H](C[NH3+])CN2CCC[N@@H+](Cc3ccccc3)C[C@@H]2C)cc1 ZINC000420362402 500447994 /nfs/dbraw/zinc/44/79/94/500447994.db2.gz ODAMJFPZOOIBGN-SIKLNZKXSA-N 2 1 367.537 3.334 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCc3ccc4c(c3)OCCO4)C1)CCCC2 ZINC000432113102 500471343 /nfs/dbraw/zinc/47/13/43/500471343.db2.gz FKQGJWKEVCLBCP-SFHVURJKSA-N 2 1 367.493 3.331 20 0 FGADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCc3ccc4c(c3)OCCO4)C1)CCCC2 ZINC000432113102 500471345 /nfs/dbraw/zinc/47/13/45/500471345.db2.gz FKQGJWKEVCLBCP-SFHVURJKSA-N 2 1 367.493 3.331 20 0 FGADMP CC(C)[C@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000424285734 500481133 /nfs/dbraw/zinc/48/11/33/500481133.db2.gz GIFMMWCIRHHNJC-JXFKEZNVSA-N 2 1 361.505 3.103 20 0 FGADMP Cc1ccc(-c2cnc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)o2)cc1 ZINC000424293659 500482575 /nfs/dbraw/zinc/48/25/75/500482575.db2.gz PKHZUJVLSCRWFK-UHFFFAOYSA-N 2 1 363.465 3.287 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)CC1 ZINC000424375063 500493146 /nfs/dbraw/zinc/49/31/46/500493146.db2.gz JFDIWZIJBZYUPJ-FQEVSTJZSA-N 3 1 370.585 3.183 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(F)c(I)c1 ZINC000424370916 500493291 /nfs/dbraw/zinc/49/32/91/500493291.db2.gz FCKZTCWUSWLVKO-CUOATXAZSA-N 2 1 362.230 3.351 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420800757 500504634 /nfs/dbraw/zinc/50/46/34/500504634.db2.gz JRYAQFGDCQWWMM-WYNBGMTASA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420813657 500507991 /nfs/dbraw/zinc/50/79/91/500507991.db2.gz YMLPVOGKYTVSBG-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N(C)C[C@@H]1CCC[N@H+]1C ZINC000420813657 500507992 /nfs/dbraw/zinc/50/79/92/500507992.db2.gz YMLPVOGKYTVSBG-NQIIRXRSSA-N 2 1 372.557 3.297 20 0 FGADMP COc1ccc([C@@H](C)C[N@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424767 500508513 /nfs/dbraw/zinc/50/85/13/500508513.db2.gz SLJJLFQFULEYJK-CVDCTZTESA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@@H](C)C[N@@H+](C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)cc1 ZINC000428424767 500508521 /nfs/dbraw/zinc/50/85/21/500508521.db2.gz SLJJLFQFULEYJK-CVDCTZTESA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@@H](C)C[NH+](C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000428424767 500508522 /nfs/dbraw/zinc/50/85/22/500508522.db2.gz SLJJLFQFULEYJK-CVDCTZTESA-N 2 1 368.521 3.368 20 0 FGADMP COc1ccc([C@@H](C)C[NH+](C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000428424767 500508526 /nfs/dbraw/zinc/50/85/26/500508526.db2.gz SLJJLFQFULEYJK-CVDCTZTESA-N 2 1 368.521 3.368 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000420853214 500515915 /nfs/dbraw/zinc/51/59/15/500515915.db2.gz XWVDKICXVLPMHN-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C[C@H]1CCC[NH+]1C)C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000420853214 500515918 /nfs/dbraw/zinc/51/59/18/500515918.db2.gz XWVDKICXVLPMHN-LEWJYISDSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C1(CO)CCCC1 ZINC000420956752 500541007 /nfs/dbraw/zinc/54/10/07/500541007.db2.gz ATDDGQGJPONXFM-NRFANRHFSA-N 2 1 360.542 3.186 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccc2n[nH]cc2c1 ZINC000420968980 500543219 /nfs/dbraw/zinc/54/32/19/500543219.db2.gz XSNZAHLJPDLZLZ-INIZCTEOSA-N 2 1 350.466 3.246 20 0 FGADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1OCCc2sccc21 ZINC000420982340 500547375 /nfs/dbraw/zinc/54/73/75/500547375.db2.gz ZQUWSGJNLYHMBY-HRAATJIYSA-N 2 1 372.534 3.372 20 0 FGADMP C[C@@H]1CCCC[C@H]1C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000424710557 500547534 /nfs/dbraw/zinc/54/75/34/500547534.db2.gz OWTCRAAIZOMUGH-WIYYLYMNSA-N 2 1 363.590 3.467 20 0 FGADMP CC(CC[NH+]1CC[C@@H](O)CC12CCC2)CC[N@H+]1CC[C@@H](O)CC12CCC2 ZINC000421012499 500553931 /nfs/dbraw/zinc/55/39/31/500553931.db2.gz TXNRVIBSGJASHD-WOJBJXKFSA-N 2 1 364.574 3.162 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000428800285 500558874 /nfs/dbraw/zinc/55/88/74/500558874.db2.gz LKYHWEZRRXLXGU-MOPGFXCFSA-N 2 1 357.542 3.230 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432797073 500565315 /nfs/dbraw/zinc/56/53/15/500565315.db2.gz KDKZGWOCPMXEEH-OAHLLOKOSA-N 2 1 360.454 3.144 20 0 FGADMP COC(=O)c1cc2c(o1)c(OC)ccc2C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000432797073 500565317 /nfs/dbraw/zinc/56/53/17/500565317.db2.gz KDKZGWOCPMXEEH-OAHLLOKOSA-N 2 1 360.454 3.144 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000447184561 500573500 /nfs/dbraw/zinc/57/35/00/500573500.db2.gz VYSUFXHDAYSHFU-FQEVSTJZSA-N 2 1 359.514 3.270 20 0 FGADMP Cc1ccc(NC(=O)CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000447346660 500594885 /nfs/dbraw/zinc/59/48/85/500594885.db2.gz XRVXXAPAMKHOKK-LJQANCHMSA-N 2 1 358.530 3.307 20 0 FGADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000437057937 500596879 /nfs/dbraw/zinc/59/68/79/500596879.db2.gz OJRLHAZOEXDFAD-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)C[NH+](C)Cc1ccccc1 ZINC000437057937 500596880 /nfs/dbraw/zinc/59/68/80/500596880.db2.gz OJRLHAZOEXDFAD-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@H+](C)Cc1ccccc1 ZINC000437057937 500596882 /nfs/dbraw/zinc/59/68/82/500596882.db2.gz OJRLHAZOEXDFAD-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC000437057937 500596885 /nfs/dbraw/zinc/59/68/85/500596885.db2.gz OJRLHAZOEXDFAD-QFIPXVFZSA-N 2 1 365.521 3.099 20 0 FGADMP CCc1ccc([C@H]2CC[N@@H+](CC(=O)NC3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000433048635 500613186 /nfs/dbraw/zinc/61/31/86/500613186.db2.gz XVOWFZPYECZDIW-FQEVSTJZSA-N 2 1 357.542 3.027 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755538 500620516 /nfs/dbraw/zinc/62/05/16/500620516.db2.gz CPHTWBSFLWUQMD-IJLUTSLNSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442755538 500620520 /nfs/dbraw/zinc/62/05/20/500620520.db2.gz CPHTWBSFLWUQMD-IJLUTSLNSA-N 2 1 354.376 3.486 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766684 500622940 /nfs/dbraw/zinc/62/29/40/500622940.db2.gz OTHPNAKHYFNBRH-VWKPWSFCSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1 ZINC000442766684 500622943 /nfs/dbraw/zinc/62/29/43/500622943.db2.gz OTHPNAKHYFNBRH-VWKPWSFCSA-N 2 1 371.912 3.215 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771998 500624019 /nfs/dbraw/zinc/62/40/19/500624019.db2.gz ULLMLUYAEIXIID-YVHKJVDXSA-N 2 1 369.484 3.043 20 0 FGADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000442771998 500624024 /nfs/dbraw/zinc/62/40/24/500624024.db2.gz ULLMLUYAEIXIID-YVHKJVDXSA-N 2 1 369.484 3.043 20 0 FGADMP Cc1cc([C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c2cccnc2)ccc1F ZINC000442872638 500637606 /nfs/dbraw/zinc/63/76/06/500637606.db2.gz JXBPIWROWIIWHO-OAQYLSRUSA-N 2 1 370.516 3.234 20 0 FGADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(Cl)ccc1OC ZINC000442875655 500638083 /nfs/dbraw/zinc/63/80/83/500638083.db2.gz OLESIDUUPFHJPB-QGZVFWFLSA-N 2 1 353.938 3.415 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442877762 500638606 /nfs/dbraw/zinc/63/86/06/500638606.db2.gz RTIABAZEAWDXNV-HNNXBMFYSA-N 2 1 357.464 3.252 20 0 FGADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(Br)c1 ZINC000442880697 500638874 /nfs/dbraw/zinc/63/88/74/500638874.db2.gz XVSQVHVCTYFCMD-AWEZNQCLSA-N 2 1 354.336 3.126 20 0 FGADMP O=C([C@@H]1CCCC[N@H+]1Cc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447677657 500643460 /nfs/dbraw/zinc/64/34/60/500643460.db2.gz HAESTZKJQMNIGU-RTWAWAEBSA-N 2 1 365.477 3.116 20 0 FGADMP O=C([C@@H]1CCCCN1Cc1ccccc1)N1CC[C@@H](Oc2ccncc2)C1 ZINC000447677657 500643464 /nfs/dbraw/zinc/64/34/64/500643464.db2.gz HAESTZKJQMNIGU-RTWAWAEBSA-N 2 1 365.477 3.116 20 0 FGADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(OCc2cccnc2)c1 ZINC000447736833 500655544 /nfs/dbraw/zinc/65/55/44/500655544.db2.gz ACWOSZNOXACFAY-UHFFFAOYSA-N 2 1 369.509 3.443 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054782 500669638 /nfs/dbraw/zinc/66/96/38/500669638.db2.gz AEJUAKIJNCFECX-KSZLIROESA-N 2 1 357.542 3.192 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443054790 500669783 /nfs/dbraw/zinc/66/97/83/500669783.db2.gz AEOWYGDTVSUUBV-MOPGFXCFSA-N 2 1 365.521 3.342 20 0 FGADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cs2)c(OC)c1 ZINC000443057685 500670691 /nfs/dbraw/zinc/67/06/91/500670691.db2.gz HTVXMNWIJDGYOV-AWEZNQCLSA-N 2 1 361.511 3.388 20 0 FGADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443068989 500674484 /nfs/dbraw/zinc/67/44/84/500674484.db2.gz JCZYCQUZCPRHJL-RCCFBDPRSA-N 2 1 353.510 3.466 20 0 FGADMP Cc1nn(C)c(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1Br ZINC000447935554 500692501 /nfs/dbraw/zinc/69/25/01/500692501.db2.gz HXKWEEPZCUWSDV-CYBMUJFWSA-N 2 1 357.340 3.235 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000447973891 500699160 /nfs/dbraw/zinc/69/91/60/500699160.db2.gz CBAHPIMEQGXQSQ-FQEVSTJZSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235572 500737050 /nfs/dbraw/zinc/73/70/50/500737050.db2.gz YUQMQFADIXRUHY-DYESRHJHSA-N 2 1 367.493 3.436 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000448469730 500763107 /nfs/dbraw/zinc/76/31/07/500763107.db2.gz BHPROTNIYRLXDD-IBGZPJMESA-N 2 1 364.578 3.014 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CC(C)(C)C1 ZINC000443991817 500788143 /nfs/dbraw/zinc/78/81/43/500788143.db2.gz VKZOXSRYKKNWGD-QZTJIDSGSA-N 2 1 359.562 3.171 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4c(OC)cccc34)C2)CC1 ZINC000449022239 500900254 /nfs/dbraw/zinc/90/02/54/500900254.db2.gz HNJUAKAVKSUUTR-LJQANCHMSA-N 2 1 353.510 3.060 20 0 FGADMP COc1ccc(-n2cc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cn2)cc1 ZINC000449024313 500901502 /nfs/dbraw/zinc/90/15/02/500901502.db2.gz ACWDSQDBXYODOJ-UHFFFAOYSA-N 2 1 365.481 3.069 20 0 FGADMP COCC1CCC([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000449079412 500919765 /nfs/dbraw/zinc/91/97/65/500919765.db2.gz YQVFGMNWGGWHLV-VTLFHKLASA-N 2 1 359.558 3.160 20 0 FGADMP C[C@@H](C[NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090898 500922624 /nfs/dbraw/zinc/92/26/24/500922624.db2.gz HZVXWQILHGHQAO-IRXDYDNUSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@@H](C[NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090898 500922627 /nfs/dbraw/zinc/92/26/27/500922627.db2.gz HZVXWQILHGHQAO-IRXDYDNUSA-N 2 1 366.571 3.294 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897715 500952056 /nfs/dbraw/zinc/95/20/56/500952056.db2.gz HQCDVLFKNLSXKD-CRAIPNDOSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCc2sccc2C1 ZINC000439897715 500952059 /nfs/dbraw/zinc/95/20/59/500952059.db2.gz HQCDVLFKNLSXKD-CRAIPNDOSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCc2sccc2C1 ZINC000439897715 500952062 /nfs/dbraw/zinc/95/20/62/500952062.db2.gz HQCDVLFKNLSXKD-CRAIPNDOSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCc2sccc2C1 ZINC000439897715 500952065 /nfs/dbraw/zinc/95/20/65/500952065.db2.gz HQCDVLFKNLSXKD-CRAIPNDOSA-N 2 1 361.555 3.018 20 0 FGADMP C[C@@H](NC(=O)NCC[N@H+]1CCCC(C)(C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000445247388 500959967 /nfs/dbraw/zinc/95/99/67/500959967.db2.gz IFJQNZIEGADGBJ-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000445247388 500959969 /nfs/dbraw/zinc/95/99/69/500959969.db2.gz IFJQNZIEGADGBJ-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP C[C@@H](NC(=O)NCC[NH+]1CCCC(C)(C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000445247388 500959973 /nfs/dbraw/zinc/95/99/73/500959973.db2.gz IFJQNZIEGADGBJ-MSOLQXFVSA-N 2 1 364.578 3.061 20 0 FGADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3cccnc3)C[C@@H]21 ZINC000435383898 500964366 /nfs/dbraw/zinc/96/43/66/500964366.db2.gz JUWFIWIUEJMKBC-YUXAGFNASA-N 2 1 373.504 3.494 20 0 FGADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OCC(F)(F)F ZINC000435389029 500966004 /nfs/dbraw/zinc/96/60/04/500966004.db2.gz KIGMFVASVNMKGC-ZNMIVQPWSA-N 2 1 358.404 3.196 20 0 FGADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000449291856 500968457 /nfs/dbraw/zinc/96/84/57/500968457.db2.gz OCRXBWSOGUIBBL-KRWDZBQOSA-N 2 1 366.509 3.225 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440115663 500976738 /nfs/dbraw/zinc/97/67/38/500976738.db2.gz BPQAJQFTNIWCFY-QFUCXCTJSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440115663 500976741 /nfs/dbraw/zinc/97/67/41/500976741.db2.gz BPQAJQFTNIWCFY-QFUCXCTJSA-N 2 1 355.526 3.345 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440115663 500976747 /nfs/dbraw/zinc/97/67/47/500976747.db2.gz BPQAJQFTNIWCFY-QFUCXCTJSA-N 2 1 355.526 3.345 20 0 FGADMP COc1cc2ccccc2cc1CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000449323649 500977759 /nfs/dbraw/zinc/97/77/59/500977759.db2.gz AEKDETPLPYSLSB-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000449323649 500977762 /nfs/dbraw/zinc/97/77/62/500977762.db2.gz AEKDETPLPYSLSB-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP COc1cc2ccccc2cc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000449323649 500977764 /nfs/dbraw/zinc/97/77/64/500977764.db2.gz AEKDETPLPYSLSB-UHFFFAOYSA-N 2 1 355.526 3.306 20 0 FGADMP CC[N@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435624194 501003617 /nfs/dbraw/zinc/00/36/17/501003617.db2.gz FAEOHHGGWIYMFI-QGZVFWFLSA-N 2 1 371.447 3.042 20 0 FGADMP CC[N@@H+](CC(=O)N(Cc1ccccc1)CC(F)(F)F)[C@@H]1CCC[NH2+]CC1 ZINC000435624194 501003621 /nfs/dbraw/zinc/00/36/21/501003621.db2.gz FAEOHHGGWIYMFI-QGZVFWFLSA-N 2 1 371.447 3.042 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](OCC)[C@@H](C)C2)CC1 ZINC000449491491 501016094 /nfs/dbraw/zinc/01/60/94/501016094.db2.gz HCCWTKQUPVYVAK-UGKGYDQZSA-N 2 1 359.558 3.466 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504561 501020184 /nfs/dbraw/zinc/02/01/84/501020184.db2.gz QQESEMLCVIOKDW-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504561 501020188 /nfs/dbraw/zinc/02/01/88/501020188.db2.gz QQESEMLCVIOKDW-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504561 501020190 /nfs/dbraw/zinc/02/01/90/501020190.db2.gz QQESEMLCVIOKDW-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000449504561 501020192 /nfs/dbraw/zinc/02/01/92/501020192.db2.gz QQESEMLCVIOKDW-OAQYLSRUSA-N 2 1 357.542 3.070 20 0 FGADMP Cc1ncsc1C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435738293 501020919 /nfs/dbraw/zinc/02/09/19/501020919.db2.gz QKPIOBFLSQLLCM-MRXNPFEDSA-N 2 1 363.502 3.471 20 0 FGADMP Cc1ncsc1C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000435738293 501020924 /nfs/dbraw/zinc/02/09/24/501020924.db2.gz QKPIOBFLSQLLCM-MRXNPFEDSA-N 2 1 363.502 3.471 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@H](c2nccn2C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449770788 501082960 /nfs/dbraw/zinc/08/29/60/501082960.db2.gz IZIXXEFORFGIFW-WJMWBRGCSA-N 2 1 368.525 3.140 20 0 FGADMP C[C@H]([NH2+][C@@H]1CCO[C@@H](c2nccn2C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449770787 501083001 /nfs/dbraw/zinc/08/30/01/501083001.db2.gz IZIXXEFORFGIFW-OYNPSCLESA-N 2 1 368.525 3.140 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2OC(F)F)CC1(C)C ZINC000441350125 501125256 /nfs/dbraw/zinc/12/52/56/501125256.db2.gz BBJQYCQOXRRMOR-UHFFFAOYSA-N 2 1 361.864 3.057 20 0 FGADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1(C)C ZINC000441383493 501131529 /nfs/dbraw/zinc/13/15/29/501131529.db2.gz MDVVNYHAINGMNT-UHFFFAOYSA-N 2 1 367.537 3.381 20 0 FGADMP Fc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)cc1C[NH+]1CC[C@]2(CCOC2)C1 ZINC000450484852 501133877 /nfs/dbraw/zinc/13/38/77/501133877.db2.gz NIGQVDOOAPVXFD-YADHBBJMSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@@]3(CCOC3)C2)cc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000450484852 501133879 /nfs/dbraw/zinc/13/38/79/501133879.db2.gz NIGQVDOOAPVXFD-YADHBBJMSA-N 2 1 374.500 3.051 20 0 FGADMP Fc1ccc(C[NH+]2CC[C@@]3(CCOC3)C2)cc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000450484852 501133882 /nfs/dbraw/zinc/13/38/82/501133882.db2.gz NIGQVDOOAPVXFD-YADHBBJMSA-N 2 1 374.500 3.051 20 0 FGADMP CC(C)Oc1ccc2[nH+]ccc(N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000450531976 501146622 /nfs/dbraw/zinc/14/66/22/501146622.db2.gz VSZKBQFGOXXJLP-IRXDYDNUSA-N 2 1 355.482 3.321 20 0 FGADMP Cn1nccc1N1CCC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000447094188 501204520 /nfs/dbraw/zinc/20/45/20/501204520.db2.gz PSNFMKBXCFATOP-FQEVSTJZSA-N 2 1 369.557 3.137 20 0 FGADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871726 501221508 /nfs/dbraw/zinc/22/15/08/501221508.db2.gz HOMTYPFKDIVIRE-FCHUYYIVSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000450871726 501221509 /nfs/dbraw/zinc/22/15/09/501221509.db2.gz HOMTYPFKDIVIRE-FCHUYYIVSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000450871726 501221511 /nfs/dbraw/zinc/22/15/11/501221511.db2.gz HOMTYPFKDIVIRE-FCHUYYIVSA-N 2 1 353.510 3.093 20 0 FGADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000450871726 501221512 /nfs/dbraw/zinc/22/15/12/501221512.db2.gz HOMTYPFKDIVIRE-FCHUYYIVSA-N 2 1 353.510 3.093 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)C[C@H]2CCCO2)ccc1F)C[C@@H]1CCCO1 ZINC000450271181 501223058 /nfs/dbraw/zinc/22/30/58/501223058.db2.gz PPLYMVCSNYUQKV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1cc(C[N@@H+](C)C[C@H]2CCCO2)ccc1F)C[C@@H]1CCCO1 ZINC000450271181 501223060 /nfs/dbraw/zinc/22/30/60/501223060.db2.gz PPLYMVCSNYUQKV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)C[C@@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000450271181 501223063 /nfs/dbraw/zinc/22/30/63/501223063.db2.gz PPLYMVCSNYUQKV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCCO2)c1)C[C@H]1CCCO1 ZINC000450271181 501223066 /nfs/dbraw/zinc/22/30/66/501223066.db2.gz PPLYMVCSNYUQKV-MOPGFXCFSA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1cc(C[N@H+](C)[C@H]2CCCOC2)ccc1F)[C@H]1CCCOC1 ZINC000450978432 501236585 /nfs/dbraw/zinc/23/65/85/501236585.db2.gz MCXFUSWGILIYGW-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@H+](C)[C@H]2CCCOC2)c1)[C@H]1CCCOC1 ZINC000450978432 501236586 /nfs/dbraw/zinc/23/65/86/501236586.db2.gz MCXFUSWGILIYGW-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP C[NH+](Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCCOC2)c1)[C@H]1CCCOC1 ZINC000450978432 501236587 /nfs/dbraw/zinc/23/65/87/501236587.db2.gz MCXFUSWGILIYGW-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)cc1OC ZINC000453062020 501261226 /nfs/dbraw/zinc/26/12/26/501261226.db2.gz OQCHVBRZSFTFAE-AEFFLSMTSA-N 2 1 372.513 3.408 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)CO2 ZINC000453098887 501268126 /nfs/dbraw/zinc/26/81/26/501268126.db2.gz XJURXHZAXOROOZ-NRFANRHFSA-N 2 1 366.505 3.295 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000457632423 501272483 /nfs/dbraw/zinc/27/24/83/501272483.db2.gz FQPXQZZCUOLAGC-OAQYLSRUSA-N 2 1 372.557 3.084 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000457654786 501278760 /nfs/dbraw/zinc/27/87/60/501278760.db2.gz UCSYJCDDULOLKY-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000457654786 501278761 /nfs/dbraw/zinc/27/87/61/501278761.db2.gz UCSYJCDDULOLKY-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000457654786 501278762 /nfs/dbraw/zinc/27/87/62/501278762.db2.gz UCSYJCDDULOLKY-SFHVURJKSA-N 2 1 360.546 3.058 20 0 FGADMP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453148032 501279086 /nfs/dbraw/zinc/27/90/86/501279086.db2.gz QKLCQPUIWVCPOX-JMJGKCIBSA-N 2 1 371.569 3.130 20 0 FGADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453178081 501285731 /nfs/dbraw/zinc/28/57/31/501285731.db2.gz URUZUXPHMPPWKI-ZCNNSNEGSA-N 2 1 357.542 3.182 20 0 FGADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc3ccccc3)C1)CO2 ZINC000453195341 501288816 /nfs/dbraw/zinc/28/88/16/501288816.db2.gz JNTMFTKKPMCOQG-CUWPLCDZSA-N 2 1 366.505 3.499 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(C)nn1C ZINC000453200465 501290034 /nfs/dbraw/zinc/29/00/34/501290034.db2.gz RGFYATDBSAJJFW-TYPHKJRUSA-N 2 1 368.525 3.270 20 0 FGADMP COc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c(C)nn1C ZINC000453200465 501290037 /nfs/dbraw/zinc/29/00/37/501290037.db2.gz RGFYATDBSAJJFW-TYPHKJRUSA-N 2 1 368.525 3.270 20 0 FGADMP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453211797 501291837 /nfs/dbraw/zinc/29/18/37/501291837.db2.gz HAGAULINZIZQTI-ODAXIHTASA-N 2 1 369.553 3.278 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453217561 501293368 /nfs/dbraw/zinc/29/33/68/501293368.db2.gz PGCADEBVTFQASM-PUFAWVJESA-N 2 1 360.567 3.320 20 0 FGADMP C[S@](=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453217561 501293370 /nfs/dbraw/zinc/29/33/70/501293370.db2.gz PGCADEBVTFQASM-PUFAWVJESA-N 2 1 360.567 3.320 20 0 FGADMP C[C@@H]1[C@H](O)CCC[N@H+]1Cc1cc(Cl)cc(C[NH+]2CCC[C@H](O)[C@H]2C)c1 ZINC000451467022 501299190 /nfs/dbraw/zinc/29/91/90/501299190.db2.gz ZAPKYOPNCMOIPT-IONDEXAJSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000451467022 501299193 /nfs/dbraw/zinc/29/91/93/501299193.db2.gz ZAPKYOPNCMOIPT-IONDEXAJSA-N 2 1 366.933 3.030 20 0 FGADMP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cc(Cl)cc(C[N@H+]2CCC[C@H](O)[C@H]2C)c1 ZINC000451467022 501299195 /nfs/dbraw/zinc/29/91/95/501299195.db2.gz ZAPKYOPNCMOIPT-IONDEXAJSA-N 2 1 366.933 3.030 20 0 FGADMP COC1([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCOCC1 ZINC000453254634 501300838 /nfs/dbraw/zinc/30/08/38/501300838.db2.gz PJPKYSDLQCPVOZ-PZJWPPBQSA-N 2 1 360.542 3.462 20 0 FGADMP Cc1ccccc1C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000611659456 506245125 /nfs/dbraw/zinc/24/51/25/506245125.db2.gz BVWBRPUANJQMFI-UHFFFAOYSA-N 2 1 372.557 3.087 20 0 FGADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2NC[C@H]1CCC[N@H+]1CCCO ZINC000453278718 501307154 /nfs/dbraw/zinc/30/71/54/501307154.db2.gz ZDOLDXOSSSFJPD-AEFFLSMTSA-N 2 1 352.906 3.299 20 0 FGADMP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000457800926 501311624 /nfs/dbraw/zinc/31/16/24/501311624.db2.gz XXEGZOGKPHUUPI-ROUUACIJSA-N 2 1 364.578 3.155 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000453445324 501333328 /nfs/dbraw/zinc/33/33/28/501333328.db2.gz OLQZKOKTHBMDPS-XKGZKEIXSA-N 2 1 366.509 3.217 20 0 FGADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453445324 501333329 /nfs/dbraw/zinc/33/33/29/501333329.db2.gz OLQZKOKTHBMDPS-XKGZKEIXSA-N 2 1 366.509 3.217 20 0 FGADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933687 501338180 /nfs/dbraw/zinc/33/81/80/501338180.db2.gz QLRNTULQIKSEMQ-HKUYNNGSSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@H]2CC[N@H+](C(C)C)C2)[NH+]2CCCC2)cc1 ZINC000458134070 501377526 /nfs/dbraw/zinc/37/75/26/501377526.db2.gz HSSYSTILSKRQMI-SFTDATJTSA-N 2 1 372.557 3.256 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@@H](C)CCC2(C)C)CC1 ZINC000452017800 501419375 /nfs/dbraw/zinc/41/93/75/501419375.db2.gz XLVIXMXBQINNFU-SFHVURJKSA-N 2 1 357.542 3.339 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458522834 501465726 /nfs/dbraw/zinc/46/57/26/501465726.db2.gz YKYZSWDDSBZITK-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000458665703 501502804 /nfs/dbraw/zinc/50/28/04/501502804.db2.gz JCFAYWYUBVVNOJ-RTWAWAEBSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000458665703 501502809 /nfs/dbraw/zinc/50/28/09/501502809.db2.gz JCFAYWYUBVVNOJ-RTWAWAEBSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000458665703 501502812 /nfs/dbraw/zinc/50/28/12/501502812.db2.gz JCFAYWYUBVVNOJ-RTWAWAEBSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCCC[N@@H+](C)C2CC2)CC1 ZINC000454527929 501569758 /nfs/dbraw/zinc/56/97/58/501569758.db2.gz VVMZEVFFWBSSEI-GOSISDBHSA-N 2 1 372.557 3.386 20 0 FGADMP CC(C)OC[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453017199 501602226 /nfs/dbraw/zinc/60/22/26/501602226.db2.gz MSKUJJQPIKZQAF-YADHBBJMSA-N 2 1 374.569 3.395 20 0 FGADMP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)[C@H]1SC ZINC000459400392 501647071 /nfs/dbraw/zinc/64/70/71/501647071.db2.gz HJOQSOVNZDXROP-ZHALLVOQSA-N 2 1 367.559 3.002 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccccc1 ZINC000457457445 501701896 /nfs/dbraw/zinc/70/18/96/501701896.db2.gz NROKTAIHGSYTQO-RBBKRZOGSA-N 2 1 372.557 3.197 20 0 FGADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)C1 ZINC000459727715 501704659 /nfs/dbraw/zinc/70/46/59/501704659.db2.gz HGHHOFOCDBRZDO-MRXNPFEDSA-N 2 1 363.933 3.266 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Br)cc3c2OCC3)C1 ZINC000459772306 501712045 /nfs/dbraw/zinc/71/20/45/501712045.db2.gz IKGHOHVKLPKKSL-ZDUSSCGKSA-N 2 1 353.304 3.206 20 0 FGADMP CC[NH+](CC)Cc1ccc(CNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000457529579 501717157 /nfs/dbraw/zinc/71/71/57/501717157.db2.gz PQEBSGSWCBDBDN-LJQANCHMSA-N 2 1 360.546 3.060 20 0 FGADMP CCCN(C(=O)c1ccnc(C[NH3+])c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000463479067 501735552 /nfs/dbraw/zinc/73/55/52/501735552.db2.gz PLSGFKDQHNKHQS-OAQYLSRUSA-N 2 1 366.509 3.057 20 0 FGADMP CN(C(=O)C[NH+](C)Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000470661587 501758101 /nfs/dbraw/zinc/75/81/01/501758101.db2.gz YAPIWWORUHLSKY-QFIPXVFZSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[NH+](C)Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000470661587 501758107 /nfs/dbraw/zinc/75/81/07/501758107.db2.gz YAPIWWORUHLSKY-QFIPXVFZSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470661587 501758112 /nfs/dbraw/zinc/75/81/12/501758112.db2.gz YAPIWWORUHLSKY-QFIPXVFZSA-N 2 1 365.521 3.241 20 0 FGADMP CN(C(=O)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000470661587 501758115 /nfs/dbraw/zinc/75/81/15/501758115.db2.gz YAPIWWORUHLSKY-QFIPXVFZSA-N 2 1 365.521 3.241 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000470672189 501761635 /nfs/dbraw/zinc/76/16/35/501761635.db2.gz BRADVQRYFWJSGI-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672189 501761638 /nfs/dbraw/zinc/76/16/38/501761638.db2.gz BRADVQRYFWJSGI-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)C1 ZINC000470672189 501761642 /nfs/dbraw/zinc/76/16/42/501761642.db2.gz BRADVQRYFWJSGI-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CCC(=O)N1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000485234101 501764711 /nfs/dbraw/zinc/76/47/11/501764711.db2.gz IYRPTQFRKJJTLF-CLAROIROSA-N 2 1 369.553 3.278 20 0 FGADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ccc1I ZINC000467373398 501779863 /nfs/dbraw/zinc/77/98/63/501779863.db2.gz LZSSPLBAFMUEJW-WOSRLPQWSA-N 2 1 372.294 3.418 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000474308252 501784645 /nfs/dbraw/zinc/78/46/45/501784645.db2.gz SNBFXQVQVZVYSR-INIZCTEOSA-N 2 1 374.488 3.360 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000470757936 501793107 /nfs/dbraw/zinc/79/31/07/501793107.db2.gz VYTCZLSGHHEZMY-XZOQPEGZSA-N 2 1 370.537 3.176 20 0 FGADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000481531391 501804969 /nfs/dbraw/zinc/80/49/69/501804969.db2.gz UYZLNANRMOPBSG-FQEVSTJZSA-N 2 1 357.542 3.204 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000481531391 501804971 /nfs/dbraw/zinc/80/49/71/501804971.db2.gz UYZLNANRMOPBSG-FQEVSTJZSA-N 2 1 357.542 3.204 20 0 FGADMP C[NH+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000481531391 501804976 /nfs/dbraw/zinc/80/49/76/501804976.db2.gz UYZLNANRMOPBSG-FQEVSTJZSA-N 2 1 357.542 3.204 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)n1 ZINC000477859783 501812055 /nfs/dbraw/zinc/81/20/55/501812055.db2.gz UTXSMDAOHZLTQN-SJORKVTESA-N 2 1 371.506 3.313 20 0 FGADMP O=C([C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477943834 501835631 /nfs/dbraw/zinc/83/56/31/501835631.db2.gz BMSUDDZQJCNYHZ-HXUWFJFHSA-N 2 1 373.516 3.172 20 0 FGADMP O=C([C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000477943834 501835637 /nfs/dbraw/zinc/83/56/37/501835637.db2.gz BMSUDDZQJCNYHZ-HXUWFJFHSA-N 2 1 373.516 3.172 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+]CCCc3ccc(C)nc3)cc2)CC1 ZINC000474462934 501845028 /nfs/dbraw/zinc/84/50/28/501845028.db2.gz ADLFIUYWXKNSMH-UHFFFAOYSA-N 2 1 366.553 3.250 20 0 FGADMP CC(C)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)C1 ZINC000474480088 501850248 /nfs/dbraw/zinc/85/02/48/501850248.db2.gz DGERLWHQOVZIBF-LEWJYISDSA-N 2 1 357.542 3.379 20 0 FGADMP O[C@@H](CCc1ccccc1)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000470993046 501885598 /nfs/dbraw/zinc/88/55/98/501885598.db2.gz AYUGVMCQBAPVLH-ZRBLBEILSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470993046 501885600 /nfs/dbraw/zinc/88/56/00/501885600.db2.gz AYUGVMCQBAPVLH-ZRBLBEILSA-N 2 1 350.506 3.044 20 0 FGADMP O[C@@H](CCc1ccccc1)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000470993046 501885604 /nfs/dbraw/zinc/88/56/04/501885604.db2.gz AYUGVMCQBAPVLH-ZRBLBEILSA-N 2 1 350.506 3.044 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000460652960 501886355 /nfs/dbraw/zinc/88/63/55/501886355.db2.gz XQDUFRQYZIHUKV-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460652960 501886360 /nfs/dbraw/zinc/88/63/60/501886360.db2.gz XQDUFRQYZIHUKV-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP CCCC[NH+](C)C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000460652960 501886365 /nfs/dbraw/zinc/88/63/65/501886365.db2.gz XQDUFRQYZIHUKV-OKZBNKHCSA-N 2 1 352.567 3.059 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccc(F)cc1 ZINC000474629630 501900598 /nfs/dbraw/zinc/90/05/98/501900598.db2.gz NBOIHDDYNPQOMT-ZEZYUPADSA-N 2 1 361.505 3.104 20 0 FGADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000481942242 501924415 /nfs/dbraw/zinc/92/44/15/501924415.db2.gz BZTPHCUMXJNNKE-JKSUJKDBSA-N 2 1 352.544 3.394 20 0 FGADMP Cn1c2cc(Br)ccc2nc1CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000485845275 501959981 /nfs/dbraw/zinc/95/99/81/501959981.db2.gz LIBXRSDMQLGXGE-LBPRGKRZSA-N 2 1 374.286 3.439 20 0 FGADMP O=C(N[C@H]1CC[N@@H+](CC2CCCC2)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000464351561 501963950 /nfs/dbraw/zinc/96/39/50/501963950.db2.gz LVRDIUVOCREOLN-YADHBBJMSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000464351561 501963957 /nfs/dbraw/zinc/96/39/57/501963957.db2.gz LVRDIUVOCREOLN-YADHBBJMSA-N 2 1 369.553 3.279 20 0 FGADMP O=C(N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000464351561 501963961 /nfs/dbraw/zinc/96/39/61/501963961.db2.gz LVRDIUVOCREOLN-YADHBBJMSA-N 2 1 369.553 3.279 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000468138100 501969879 /nfs/dbraw/zinc/96/98/79/501969879.db2.gz KAVUFYQIURBQIB-KRWDZBQOSA-N 2 1 352.482 3.241 20 0 FGADMP O=C(CC[N@H+]1CCc2ccccc2C1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000471346283 501994418 /nfs/dbraw/zinc/99/44/18/501994418.db2.gz QPOLBQWGOKBGDK-UHFFFAOYSA-N 2 1 369.553 3.206 20 0 FGADMP COCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cc(Br)ccc1F ZINC000482235271 502014270 /nfs/dbraw/zinc/01/42/70/502014270.db2.gz PTDIBYVDSLGXJH-TZMCWYRMSA-N 2 1 359.283 3.350 20 0 FGADMP COCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cc(Br)ccc1F ZINC000482235271 502014273 /nfs/dbraw/zinc/01/42/73/502014273.db2.gz PTDIBYVDSLGXJH-TZMCWYRMSA-N 2 1 359.283 3.350 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(C(F)F)c1 ZINC000468285216 502016217 /nfs/dbraw/zinc/01/62/17/502016217.db2.gz JDURGPXMVDRENF-GOSISDBHSA-N 2 1 367.484 3.041 20 0 FGADMP C[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000482254558 502020634 /nfs/dbraw/zinc/02/06/34/502020634.db2.gz UEARHIOEIVFANZ-CQSZACIVSA-N 2 1 370.419 3.237 20 0 FGADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CCc1ccc(Cl)cc1)c1ccccc1 ZINC000475027604 502025976 /nfs/dbraw/zinc/02/59/76/502025976.db2.gz CQHVLMJRAAEHMY-FQEVSTJZSA-N 2 1 373.928 3.233 20 0 FGADMP C[C@@H](CC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)OCc1ccccc1 ZINC000475056912 502039514 /nfs/dbraw/zinc/03/95/14/502039514.db2.gz ONYMAMSSAOEHSC-UNMCSNQZSA-N 2 1 359.558 3.084 20 0 FGADMP CC(C)c1nc2c([nH]1)CC[C@@H](C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C2 ZINC000475107764 502062423 /nfs/dbraw/zinc/06/24/23/502062423.db2.gz GVDAQRWDBZTFIH-WHSLLNHNSA-N 2 1 360.546 3.265 20 0 FGADMP COC[C@H](Cc1ccccc1)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000475150240 502082250 /nfs/dbraw/zinc/08/22/50/502082250.db2.gz HQAQGWRQWKMNGS-NRFANRHFSA-N 2 1 350.466 3.265 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N(CC)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000475168925 502089081 /nfs/dbraw/zinc/08/90/81/502089081.db2.gz BBVWBZDFUUMLDM-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000475168925 502089128 /nfs/dbraw/zinc/08/91/28/502089128.db2.gz BBVWBZDFUUMLDM-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N(CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475168925 502089131 /nfs/dbraw/zinc/08/91/31/502089131.db2.gz BBVWBZDFUUMLDM-QUCCMNQESA-N 2 1 360.546 3.023 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000482595105 502121305 /nfs/dbraw/zinc/12/13/05/502121305.db2.gz WQMGAEWIUPXZSW-GIVPXCGWSA-N 2 1 372.557 3.023 20 0 FGADMP C[N@@H+](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772390 502131780 /nfs/dbraw/zinc/13/17/80/502131780.db2.gz SCSSENQNZOUHLY-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772390 502131784 /nfs/dbraw/zinc/13/17/84/502131784.db2.gz SCSSENQNZOUHLY-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCCCC1 ZINC000471772390 502131789 /nfs/dbraw/zinc/13/17/89/502131789.db2.gz SCSSENQNZOUHLY-FQEVSTJZSA-N 2 1 372.557 3.072 20 0 FGADMP CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cc1 ZINC000471833951 502149113 /nfs/dbraw/zinc/14/91/13/502149113.db2.gz DCPIPHHAXPWTIM-VXKWHMMOSA-N 2 1 365.521 3.218 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)CC[N@H+]1C ZINC000486496504 502171501 /nfs/dbraw/zinc/17/15/01/502171501.db2.gz QTFWEMQIFCAELG-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000486496504 502171503 /nfs/dbraw/zinc/17/15/03/502171503.db2.gz QTFWEMQIFCAELG-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH+]1C ZINC000486496504 502171504 /nfs/dbraw/zinc/17/15/04/502171504.db2.gz QTFWEMQIFCAELG-JBACZVJFSA-N 2 1 372.557 3.021 20 0 FGADMP C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000479254946 502206651 /nfs/dbraw/zinc/20/66/51/502206651.db2.gz LCNRTZDYACHSIU-SIKLNZKXSA-N 2 1 365.521 3.412 20 0 FGADMP C[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000479254946 502206657 /nfs/dbraw/zinc/20/66/57/502206657.db2.gz LCNRTZDYACHSIU-SIKLNZKXSA-N 2 1 365.521 3.412 20 0 FGADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185596 502209317 /nfs/dbraw/zinc/20/93/17/502209317.db2.gz DVYGBVWZRBFZGB-QAPCUYQASA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185596 502209325 /nfs/dbraw/zinc/20/93/25/502209325.db2.gz DVYGBVWZRBFZGB-QAPCUYQASA-N 2 1 351.922 3.037 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000479436781 502259464 /nfs/dbraw/zinc/25/94/64/502259464.db2.gz KUGHCOFKFYCLGJ-XWIAVFTESA-N 2 1 367.331 3.119 20 0 FGADMP C[C@@H]1CCc2ccc(Br)cc2[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000479436781 502259469 /nfs/dbraw/zinc/25/94/69/502259469.db2.gz KUGHCOFKFYCLGJ-XWIAVFTESA-N 2 1 367.331 3.119 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000465434092 502260958 /nfs/dbraw/zinc/26/09/58/502260958.db2.gz PHJKTMIBUCFDOV-FPOVZHCZSA-N 2 1 374.573 3.443 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCc1ccccc1 ZINC000465435656 502261889 /nfs/dbraw/zinc/26/18/89/502261889.db2.gz BPUOMAHUPFSBMW-PZJWPPBQSA-N 2 1 374.573 3.065 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000475731234 502268130 /nfs/dbraw/zinc/26/81/30/502268130.db2.gz DAXFCJYHWYKNQF-MISYRCLQSA-N 2 1 371.569 3.442 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000472261119 502288618 /nfs/dbraw/zinc/28/86/18/502288618.db2.gz CNDZFSZZDNLMJR-QGZVFWFLSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(C)c(Cl)c2)C1 ZINC000472261119 502288620 /nfs/dbraw/zinc/28/86/20/502288620.db2.gz CNDZFSZZDNLMJR-QGZVFWFLSA-N 2 1 367.921 3.020 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH+](C)[C@H](C)C3)cc2)C1 ZINC000465570642 502311256 /nfs/dbraw/zinc/31/12/56/502311256.db2.gz MWPYGAKCEZCZFW-OPYAIIAOSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)cc2)C1 ZINC000465570642 502311261 /nfs/dbraw/zinc/31/12/61/502311261.db2.gz MWPYGAKCEZCZFW-OPYAIIAOSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@@H]1CCC[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[N@@H+](C)[C@H](C)C3)cc2)C1 ZINC000465570642 502311266 /nfs/dbraw/zinc/31/12/66/502311266.db2.gz MWPYGAKCEZCZFW-OPYAIIAOSA-N 2 1 372.557 3.200 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000469138113 502311477 /nfs/dbraw/zinc/31/14/77/502311477.db2.gz QHTQZIPLPHBVBM-PZJWPPBQSA-N 2 1 372.557 3.159 20 0 FGADMP CCC(CC)[C@H](CNC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCC1 ZINC000465584507 502315583 /nfs/dbraw/zinc/31/55/83/502315583.db2.gz DOAVLXARLCFVGA-PMACEKPBSA-N 2 1 366.594 3.403 20 0 FGADMP COC(=O)c1coc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000472363874 502330354 /nfs/dbraw/zinc/33/03/54/502330354.db2.gz ABDZKJPPMMSGIK-XLIONFOSSA-N 2 1 356.466 3.238 20 0 FGADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nccn2-c2ccccc2)CC1 ZINC000483299142 502343026 /nfs/dbraw/zinc/34/30/26/502343026.db2.gz TWOULSIMGLKARM-UHFFFAOYSA-N 2 1 356.514 3.195 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000483314321 502348177 /nfs/dbraw/zinc/34/81/77/502348177.db2.gz ZZGWJGVKXSRXFW-UHFFFAOYSA-N 2 1 373.541 3.407 20 0 FGADMP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000479709879 502353180 /nfs/dbraw/zinc/35/31/80/502353180.db2.gz PRFLOMNUFHACRZ-LJQANCHMSA-N 2 1 352.567 3.158 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000465727645 502360510 /nfs/dbraw/zinc/36/05/10/502360510.db2.gz QYFHAQJVRVZQOQ-QWFCFKBJSA-N 2 1 352.567 3.013 20 0 FGADMP CCO[C@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581827 502390773 /nfs/dbraw/zinc/39/07/73/502390773.db2.gz PYTFCCYRCAONGT-RTWAWAEBSA-N 2 1 365.606 3.462 20 0 FGADMP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000465929285 502430903 /nfs/dbraw/zinc/43/09/03/502430903.db2.gz DUZMLTSHIIKTIV-WIYYLYMNSA-N 2 1 372.557 3.200 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[N@H+]1C ZINC000487471852 502452684 /nfs/dbraw/zinc/45/26/84/502452684.db2.gz QGLAUWPIILCXLC-IEBWSBKVSA-N 2 1 360.546 3.097 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(C)c1C ZINC000466019038 502455773 /nfs/dbraw/zinc/45/57/73/502455773.db2.gz GONPCYCOVHWVDU-VQTJNVASSA-N 2 1 374.573 3.422 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000483682978 502461685 /nfs/dbraw/zinc/46/16/85/502461685.db2.gz LFSZDWIXBLMFQO-QYZOEREBSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000483682978 502461689 /nfs/dbraw/zinc/46/16/89/502461689.db2.gz LFSZDWIXBLMFQO-QYZOEREBSA-N 2 1 352.567 3.155 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@H]2C)C[C@@H]1C ZINC000483682978 502461694 /nfs/dbraw/zinc/46/16/94/502461694.db2.gz LFSZDWIXBLMFQO-QYZOEREBSA-N 2 1 352.567 3.155 20 0 FGADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1)C(C)C ZINC000483692678 502465956 /nfs/dbraw/zinc/46/59/56/502465956.db2.gz YJDFKOZTJSGADC-MRXNPFEDSA-N 2 1 355.548 3.218 20 0 FGADMP Cc1cccc(NCCNC(=O)c2oc3ccccc3c2C[NH+](C)C)[nH+]1 ZINC000469580597 502469907 /nfs/dbraw/zinc/46/99/07/502469907.db2.gz MOJGCYCGXBQTSF-UHFFFAOYSA-N 2 1 352.438 3.040 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000466084921 502474700 /nfs/dbraw/zinc/47/47/00/502474700.db2.gz LNACSDLPCDFPOY-HSALFYBXSA-N 2 1 364.578 3.013 20 0 FGADMP CC[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1OCC(=O)N(C)C ZINC000480166068 502488637 /nfs/dbraw/zinc/48/86/37/502488637.db2.gz AVGKKEOHGDULSB-IBGZPJMESA-N 2 1 361.530 3.070 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000483778091 502489545 /nfs/dbraw/zinc/48/95/45/502489545.db2.gz UMIUKRFJIUVALU-OKZBNKHCSA-N 2 1 364.534 3.177 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000473023013 502501872 /nfs/dbraw/zinc/50/18/72/502501872.db2.gz NAJKSEGXLLDESI-LJQANCHMSA-N 2 1 374.573 3.461 20 0 FGADMP CCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000483888049 502514395 /nfs/dbraw/zinc/51/43/95/502514395.db2.gz SWXHMWLEMBIISR-UYAOXDASSA-N 2 1 372.557 3.071 20 0 FGADMP Cc1cccc2c(NCc3ccccc3C[N@H+]3CC[C@@H](O)C3)c(C)c[nH+]c12 ZINC000462687144 502533584 /nfs/dbraw/zinc/53/35/84/502533584.db2.gz BJHWHRBZEDYJTO-HXUWFJFHSA-N 2 1 361.489 3.452 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000476632416 502545067 /nfs/dbraw/zinc/54/50/67/502545067.db2.gz SUTJGEIYDLOUPB-KRWDZBQOSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H]1CN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC[N@H+](C2CCC2)C1 ZINC000487847249 502546034 /nfs/dbraw/zinc/54/60/34/502546034.db2.gz ZWSXSXCVOUFMAQ-FXAWDEMLSA-N 2 1 364.578 3.013 20 0 FGADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000473298285 502561879 /nfs/dbraw/zinc/56/18/79/502561879.db2.gz DEOZSDCAEBAZRA-SJLPKXTDSA-N 2 1 351.560 3.243 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096500 502568599 /nfs/dbraw/zinc/56/85/99/502568599.db2.gz KZCWPRQDNDCQCA-XWIAVFTESA-N 2 1 356.869 3.041 20 0 FGADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOc1ccc(Cl)c(F)c1 ZINC000484096500 502568603 /nfs/dbraw/zinc/56/86/03/502568603.db2.gz KZCWPRQDNDCQCA-XWIAVFTESA-N 2 1 356.869 3.041 20 0 FGADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000462785382 502572132 /nfs/dbraw/zinc/57/21/32/502572132.db2.gz PFMGAWDHKAMFIU-FDFHNCONSA-N 2 1 358.526 3.204 20 0 FGADMP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000462789929 502574602 /nfs/dbraw/zinc/57/46/02/502574602.db2.gz LMBHOOGEJIPDKH-JOCHJYFZSA-N 2 1 369.557 3.241 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CCN(Cc2ccccc2)C[C@H]1C ZINC000476785873 502585358 /nfs/dbraw/zinc/58/53/58/502585358.db2.gz BIVSGRWWPUUECI-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000476785873 502585370 /nfs/dbraw/zinc/58/53/70/502585370.db2.gz BIVSGRWWPUUECI-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000476785873 502585374 /nfs/dbraw/zinc/58/53/74/502585374.db2.gz BIVSGRWWPUUECI-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)N1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000476785873 502585380 /nfs/dbraw/zinc/58/53/80/502585380.db2.gz BIVSGRWWPUUECI-SLFFLAALSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](CC)CCOc1ccc(-c2noc([C@H]3C[N@@H+](C)C[C@@H]3C)n2)cc1 ZINC000462822928 502587934 /nfs/dbraw/zinc/58/79/34/502587934.db2.gz XXMPVCPMUJVMNR-YJBOKZPZSA-N 2 1 358.486 3.122 20 0 FGADMP O[C@@H]1CC[N@@H+](Cc2cccc(NC3CC[NH+](C4CCCCC4)CC3)c2)C1 ZINC000462862650 502603024 /nfs/dbraw/zinc/60/30/24/502603024.db2.gz XACSFBZOPNYWFH-JOCHJYFZSA-N 2 1 357.542 3.462 20 0 FGADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccc(O)cc43)cc2)CC1 ZINC000462884353 502613046 /nfs/dbraw/zinc/61/30/46/502613046.db2.gz PKFCQLGMXPZSCG-HSZRJFAPSA-N 2 1 365.521 3.307 20 0 FGADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000470002159 502626763 /nfs/dbraw/zinc/62/67/63/502626763.db2.gz HCYMQKOBZAKZKE-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(Br)c1OC ZINC000470002159 502626765 /nfs/dbraw/zinc/62/67/65/502626765.db2.gz HCYMQKOBZAKZKE-UHFFFAOYSA-N 2 1 357.292 3.040 20 0 FGADMP COC1(C[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CCCCC1 ZINC000480645645 502631784 /nfs/dbraw/zinc/63/17/84/502631784.db2.gz SBWHIPFTLZGPHL-OAQYLSRUSA-N 2 1 359.558 3.304 20 0 FGADMP CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1(C)C ZINC000463035499 502669324 /nfs/dbraw/zinc/66/93/24/502669324.db2.gz QRUKPEUTWWXQNY-LEWJYISDSA-N 2 1 359.558 3.116 20 0 FGADMP COc1ccccc1[C@@H](C)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488266609 502673497 /nfs/dbraw/zinc/67/34/97/502673497.db2.gz JTRVOPBZGZJIMK-GOSISDBHSA-N 2 1 373.541 3.022 20 0 FGADMP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccc(F)cc2)CC1 ZINC000488329264 502685453 /nfs/dbraw/zinc/68/54/53/502685453.db2.gz WPCUTCQQWOURCV-FQEVSTJZSA-N 2 1 361.505 3.199 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232872 502711705 /nfs/dbraw/zinc/71/17/05/502711705.db2.gz IAJQVIMQSIPNRX-APWZRJJASA-N 2 1 363.933 3.133 20 0 FGADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1cccc(Cl)c1 ZINC000470232872 502711711 /nfs/dbraw/zinc/71/17/11/502711711.db2.gz IAJQVIMQSIPNRX-APWZRJJASA-N 2 1 363.933 3.133 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240817 502716110 /nfs/dbraw/zinc/71/61/10/502716110.db2.gz AGDWQCQAYOORDB-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000477240817 502716119 /nfs/dbraw/zinc/71/61/19/502716119.db2.gz AGDWQCQAYOORDB-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000477240817 502716123 /nfs/dbraw/zinc/71/61/23/502716123.db2.gz AGDWQCQAYOORDB-ZWKOTPCHSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2OC(F)(F)F)[C@@H](C)C1 ZINC000470258913 502718229 /nfs/dbraw/zinc/71/82/29/502718229.db2.gz UHHDCDRTKQQGIO-UXLLHSPISA-N 2 1 374.447 3.056 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000470291696 502726202 /nfs/dbraw/zinc/72/62/02/502726202.db2.gz HEMQTXSSBREYJZ-HXUWFJFHSA-N 2 1 374.573 3.174 20 0 FGADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000470299637 502728589 /nfs/dbraw/zinc/72/85/89/502728589.db2.gz VODDGCKEVHVVDI-HXUWFJFHSA-N 2 1 362.562 3.125 20 0 FGADMP Clc1ccc(OCCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000484774105 502736937 /nfs/dbraw/zinc/73/69/37/502736937.db2.gz DWOARTXIDYKFMW-IPMKNSEASA-N 2 1 352.906 3.246 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167479 502770265 /nfs/dbraw/zinc/77/02/65/502770265.db2.gz CJZANJOYEBHDSZ-KNQAVFIVSA-N 2 1 369.553 3.493 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(=O)NCCC1=CCCCC1 ZINC000481167479 502770273 /nfs/dbraw/zinc/77/02/73/502770273.db2.gz CJZANJOYEBHDSZ-KNQAVFIVSA-N 2 1 369.553 3.493 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000481185655 502776448 /nfs/dbraw/zinc/77/64/48/502776448.db2.gz WRFYJLWIZKEXJC-MJGOQNOKSA-N 2 1 371.550 3.173 20 0 FGADMP Cc1ccsc1CNC(=O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000481185655 502776453 /nfs/dbraw/zinc/77/64/53/502776453.db2.gz WRFYJLWIZKEXJC-MJGOQNOKSA-N 2 1 371.550 3.173 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CC(C)(C)c3cc(OC)ccc32)CC1 ZINC000474024728 502781968 /nfs/dbraw/zinc/78/19/68/502781968.db2.gz QQRGTARVWLHTCE-NRFANRHFSA-N 2 1 359.558 3.425 20 0 FGADMP CC[C@H](C(=O)N1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+](CC)CC ZINC000484938896 502782008 /nfs/dbraw/zinc/78/20/08/502782008.db2.gz MIZGURGIWKVIAX-PWRODBHTSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)[N@H+]1CCCC[C@@H]1C ZINC000500816108 502869496 /nfs/dbraw/zinc/86/94/96/502869496.db2.gz WWPBHHHVMJINHL-ROUUACIJSA-N 2 1 352.567 3.013 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000500832600 502873470 /nfs/dbraw/zinc/87/34/70/502873470.db2.gz GTKAJOUKFBJQIR-NRFANRHFSA-N 2 1 372.557 3.346 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000513195721 502874498 /nfs/dbraw/zinc/87/44/98/502874498.db2.gz GRMRHISHZWNLQR-ROUUACIJSA-N 2 1 356.432 3.481 20 0 FGADMP CC[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000505343930 502891039 /nfs/dbraw/zinc/89/10/39/502891039.db2.gz NBXXNHRFWOFVPF-TZIWHRDSSA-N 2 1 359.558 3.445 20 0 FGADMP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501025616 502914656 /nfs/dbraw/zinc/91/46/56/502914656.db2.gz ZKGGZFJGCSZWJR-GUDVDZBRSA-N 2 1 372.557 3.123 20 0 FGADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000501049601 502922457 /nfs/dbraw/zinc/92/24/57/502922457.db2.gz CFHDTRHZQKFNEU-UHFFFAOYSA-N 2 1 366.509 3.485 20 0 FGADMP COc1ccc2c(c1)C[C@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]2C ZINC000501051811 502923197 /nfs/dbraw/zinc/92/31/97/502923197.db2.gz LMOPCIDHVQPBTP-OALUTQOASA-N 2 1 359.558 3.419 20 0 FGADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000501063145 502925838 /nfs/dbraw/zinc/92/58/38/502925838.db2.gz GFZZFNHEBJMCOR-KNQAVFIVSA-N 2 1 359.558 3.494 20 0 FGADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCO[C@H]2CCCC[C@H]2C)CC1 ZINC000501107685 502940085 /nfs/dbraw/zinc/94/00/85/502940085.db2.gz FOTCHHDLRWRHAI-NCYKPQTJSA-N 2 1 351.579 3.072 20 0 FGADMP COCc1cccc(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)c1 ZINC000513454750 502943643 /nfs/dbraw/zinc/94/36/43/502943643.db2.gz HOPNNDSKDQPMOT-UHFFFAOYSA-N 2 1 367.537 3.083 20 0 FGADMP COCc1cccc(C[NH+]2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000513454750 502943649 /nfs/dbraw/zinc/94/36/49/502943649.db2.gz HOPNNDSKDQPMOT-UHFFFAOYSA-N 2 1 367.537 3.083 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C2)CC1 ZINC000513462400 502945441 /nfs/dbraw/zinc/94/54/41/502945441.db2.gz VLWYWHGOJONVHI-FQEVSTJZSA-N 2 1 357.542 3.002 20 0 FGADMP C[N@H+]1C[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H](c2ccccc2)C1 ZINC000497400850 502949832 /nfs/dbraw/zinc/94/98/32/502949832.db2.gz JTZLQWONDVPXKM-VXKWHMMOSA-N 2 1 372.472 3.075 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)ccc1C ZINC000509683321 502966275 /nfs/dbraw/zinc/96/62/75/502966275.db2.gz ZMNWVOYZMJHSJM-QGZVFWFLSA-N 2 1 351.922 3.137 20 0 FGADMP CN(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580689 502970035 /nfs/dbraw/zinc/97/00/35/502970035.db2.gz QMVQLSKBAKXBKG-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1)c1ccccc1 ZINC000513580689 502970043 /nfs/dbraw/zinc/97/00/43/502970043.db2.gz QMVQLSKBAKXBKG-SFTDATJTSA-N 2 1 351.494 3.070 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497507407 502976018 /nfs/dbraw/zinc/97/60/18/502976018.db2.gz SGOLDNGGCFLGRG-LNLFQRSKSA-N 2 1 353.457 3.122 20 0 FGADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C(C)C)[C@H]1c1ccc(F)c(F)c1 ZINC000497507407 502976023 /nfs/dbraw/zinc/97/60/23/502976023.db2.gz SGOLDNGGCFLGRG-LNLFQRSKSA-N 2 1 353.457 3.122 20 0 FGADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc(C)c1O ZINC000513647658 502990044 /nfs/dbraw/zinc/99/00/44/502990044.db2.gz JNQLDTYGSIKZMM-UHFFFAOYSA-N 2 1 353.510 3.046 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc2ccccc12 ZINC000505808428 502990951 /nfs/dbraw/zinc/99/09/51/502990951.db2.gz XKSCPWUVOINKTQ-GOSISDBHSA-N 2 1 373.566 3.318 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CCO)Cc2ccccc2)CC1 ZINC000505875767 503003283 /nfs/dbraw/zinc/00/32/83/503003283.db2.gz ARYDJIHIZVLFHZ-UHFFFAOYSA-N 2 1 367.537 3.213 20 0 FGADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513707238 503004911 /nfs/dbraw/zinc/00/49/11/503004911.db2.gz ANVNJBHVIWCSMC-VAMGGRTRSA-N 2 1 357.542 3.182 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000501488891 503019235 /nfs/dbraw/zinc/01/92/35/503019235.db2.gz DQUQGSMNRIGWGW-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1CCCC[C@@H]1C ZINC000501488891 503019240 /nfs/dbraw/zinc/01/92/40/503019240.db2.gz DQUQGSMNRIGWGW-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP C[C@@H](CNC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000501488891 503019245 /nfs/dbraw/zinc/01/92/45/503019245.db2.gz DQUQGSMNRIGWGW-YRPNKDGESA-N 2 1 366.594 3.307 20 0 FGADMP C[C@H](CNC(=O)NCCCC[NH+]1CCC(C)CC1)[N@H+]1CCCC[C@H]1C ZINC000501490216 503019658 /nfs/dbraw/zinc/01/96/58/503019658.db2.gz JOAYXPKQEQRDAH-RTBURBONSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000501518336 503028017 /nfs/dbraw/zinc/02/80/17/503028017.db2.gz RXXIAXXPRXZYSL-OALUTQOASA-N 2 1 372.557 3.202 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000501546278 503034297 /nfs/dbraw/zinc/03/42/97/503034297.db2.gz NBENNHYAALMOGI-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP [NH3+]CCC[N@H+](Cc1ccccc1OCC(=O)N1CCCC1)CC1CCCC1 ZINC000489964199 503076945 /nfs/dbraw/zinc/07/69/45/503076945.db2.gz HOQYQYPPPSURMB-UHFFFAOYSA-N 2 1 373.541 3.029 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000514081629 503082083 /nfs/dbraw/zinc/08/20/83/503082083.db2.gz CSNCOXTUVKFMKF-UHFFFAOYSA-N 2 1 351.494 3.031 20 0 FGADMP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)Cc1ccccc1 ZINC000514081629 503082086 /nfs/dbraw/zinc/08/20/86/503082086.db2.gz CSNCOXTUVKFMKF-UHFFFAOYSA-N 2 1 351.494 3.031 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000506267026 503082545 /nfs/dbraw/zinc/08/25/45/503082545.db2.gz GPCUUEKVBVQQNS-IFMALSPDSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000506267026 503082550 /nfs/dbraw/zinc/08/25/50/503082550.db2.gz GPCUUEKVBVQQNS-IFMALSPDSA-N 2 1 357.542 3.422 20 0 FGADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000506267026 503082556 /nfs/dbraw/zinc/08/25/56/503082556.db2.gz GPCUUEKVBVQQNS-IFMALSPDSA-N 2 1 357.542 3.422 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000514142835 503097444 /nfs/dbraw/zinc/09/74/44/503097444.db2.gz XDQSYFBTLIRNPQ-KSZLIROESA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C[C@H]3CCCC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000514142835 503097449 /nfs/dbraw/zinc/09/74/49/503097449.db2.gz XDQSYFBTLIRNPQ-KSZLIROESA-N 2 1 374.516 3.402 20 0 FGADMP C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000498128757 503112554 /nfs/dbraw/zinc/11/25/54/503112554.db2.gz WHTPSLAJZYVFQB-TZIWHRDSSA-N 2 1 372.557 3.072 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)c1ccco1 ZINC000514225769 503117959 /nfs/dbraw/zinc/11/79/59/503117959.db2.gz PKDSGGAYYRXHRM-FGTMMUONSA-N 2 1 364.534 3.082 20 0 FGADMP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000490167193 503121119 /nfs/dbraw/zinc/12/11/19/503121119.db2.gz GWVCZDAJVUUSNC-RXVVDRJESA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472432 503121630 /nfs/dbraw/zinc/12/16/30/503121630.db2.gz USSMJMOROVXYMF-IFMALSPDSA-N 2 1 371.569 3.322 20 0 FGADMP C[C@H](C(=O)NCc1ccccc1)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506473323 503121958 /nfs/dbraw/zinc/12/19/58/503121958.db2.gz XZILLKZGVUCUCN-SFHLNBCPSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CC(=O)NCCCc2ccccc2)C1 ZINC000506472751 503122111 /nfs/dbraw/zinc/12/21/11/503122111.db2.gz USSMJMOROVXYMF-UNMCSNQZSA-N 2 1 371.569 3.322 20 0 FGADMP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1)C1=CC[N@@H+](C)CC1 ZINC000510741728 503183883 /nfs/dbraw/zinc/18/38/83/503183883.db2.gz PCALGJSEZURHBV-RTBURBONSA-N 2 1 369.553 3.096 20 0 FGADMP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)c1 ZINC000490715456 503217298 /nfs/dbraw/zinc/21/72/98/503217298.db2.gz XBHYHGJLZHOAAI-KRWDZBQOSA-N 2 1 374.529 3.170 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000490762100 503224308 /nfs/dbraw/zinc/22/43/08/503224308.db2.gz WWVPNSUGECKGTC-WIYYLYMNSA-N 2 1 357.542 3.134 20 0 FGADMP C[C@@H]1CC[C@@H](CN(CCn2ccnc2)Cc2ccc(Br)o2)O1 ZINC000510963935 503225985 /nfs/dbraw/zinc/22/59/85/503225985.db2.gz BRHYCQGFGVOQPJ-KGLIPLIRSA-N 2 1 368.275 3.308 20 0 FGADMP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000514999271 503246706 /nfs/dbraw/zinc/24/67/06/503246706.db2.gz DUFNLWVBFLPNDO-UHFFFAOYSA-N 2 1 369.513 3.132 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCOC)cc2)CC1 ZINC000502706253 503255471 /nfs/dbraw/zinc/25/54/71/503255471.db2.gz FTWNWCPKWRHKHX-FCHUYYIVSA-N 2 1 359.558 3.119 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000502756839 503264825 /nfs/dbraw/zinc/26/48/25/503264825.db2.gz MQFYSYVLBUCGNN-UHFFFAOYSA-N 2 1 352.567 3.061 20 0 FGADMP COC(=O)c1ccc(Cl)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000511152307 503270008 /nfs/dbraw/zinc/27/00/08/503270008.db2.gz YXXCIUFHSDJHGQ-HNNXBMFYSA-N 2 1 350.890 3.290 20 0 FGADMP C[C@H]1CC[N@@H+](C)CCN1C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000502839096 503284995 /nfs/dbraw/zinc/28/49/95/503284995.db2.gz MWAOSISFPJVSPH-IBGZPJMESA-N 2 1 372.557 3.298 20 0 FGADMP COc1ccccc1-c1ncc(C[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000491272071 503292697 /nfs/dbraw/zinc/29/26/97/503292697.db2.gz QNCCHGXYKNAIIP-UHFFFAOYSA-N 2 1 351.454 3.227 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CC[NH+](C)CC[C@H]1C ZINC000502911205 503305622 /nfs/dbraw/zinc/30/56/22/503305622.db2.gz GCGBXBWOKKGJBP-RBUKOAKNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000502911205 503305627 /nfs/dbraw/zinc/30/56/27/503305627.db2.gz GCGBXBWOKKGJBP-RBUKOAKNSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000515294262 503307609 /nfs/dbraw/zinc/30/76/09/503307609.db2.gz JBOSSAIGYORCNU-TZIWHRDSSA-N 2 1 372.557 3.387 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCCOC[C@H]3CCCO3)CC23CC3)cc1 ZINC000515300565 503309952 /nfs/dbraw/zinc/30/99/52/503309952.db2.gz JFXHYWSEIKIIGE-LEWJYISDSA-N 2 1 358.526 3.359 20 0 FGADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCCOC[C@H]3CCCO3)CC23CC3)cc1 ZINC000515300565 503309953 /nfs/dbraw/zinc/30/99/53/503309953.db2.gz JFXHYWSEIKIIGE-LEWJYISDSA-N 2 1 358.526 3.359 20 0 FGADMP CC(C)[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC000511379213 503310371 /nfs/dbraw/zinc/31/03/71/503310371.db2.gz PMFUJWHDUWZGLA-VQTJNVASSA-N 2 1 367.965 3.420 20 0 FGADMP CC(C)[NH+](CCN[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC000511379213 503310375 /nfs/dbraw/zinc/31/03/75/503310375.db2.gz PMFUJWHDUWZGLA-VQTJNVASSA-N 2 1 367.965 3.420 20 0 FGADMP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000499002415 503312513 /nfs/dbraw/zinc/31/25/13/503312513.db2.gz GHZCVUUOBGILNH-ULQDDVLXSA-N 2 1 369.513 3.366 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]1C ZINC000499002415 503312518 /nfs/dbraw/zinc/31/25/18/503312518.db2.gz GHZCVUUOBGILNH-ULQDDVLXSA-N 2 1 369.513 3.366 20 0 FGADMP C[C@H]1C[C@@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000511437174 503321596 /nfs/dbraw/zinc/32/15/96/503321596.db2.gz IBQRUKRRIRCDOG-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395537 503330472 /nfs/dbraw/zinc/33/04/72/503330472.db2.gz OGBDEFFQOWVQQU-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395537 503330475 /nfs/dbraw/zinc/33/04/75/503330475.db2.gz OGBDEFFQOWVQQU-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000515395537 503330479 /nfs/dbraw/zinc/33/04/79/503330479.db2.gz OGBDEFFQOWVQQU-HLAWJBBLSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@@H+]1Cc1ccccc1 ZINC000511495629 503331608 /nfs/dbraw/zinc/33/16/08/503331608.db2.gz NXPQWTARMUXOGY-APWZRJJASA-N 2 1 365.477 3.274 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC[N@H+]1Cc1ccccc1 ZINC000511495629 503331609 /nfs/dbraw/zinc/33/16/09/503331609.db2.gz NXPQWTARMUXOGY-APWZRJJASA-N 2 1 365.477 3.274 20 0 FGADMP O[C@H](C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C[NH+]1CCCC1 ZINC000511580194 503347668 /nfs/dbraw/zinc/34/76/68/503347668.db2.gz WPJZGKJAQNRVGB-WBVHZDCISA-N 2 1 358.404 3.083 20 0 FGADMP O=C(NC[C@@H](c1ccco1)N1CCCC1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000511651709 503363327 /nfs/dbraw/zinc/36/33/27/503363327.db2.gz ZQNWPXAOGTWWTP-UXHICEINSA-N 2 1 367.493 3.197 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000503199726 503364767 /nfs/dbraw/zinc/36/47/67/503364767.db2.gz SPUTYCYZNCOEQU-HKUYNNGSSA-N 2 1 352.544 3.080 20 0 FGADMP C[C@H]1CCC[C@@H](C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)C1 ZINC000507903256 503392133 /nfs/dbraw/zinc/39/21/33/503392133.db2.gz PWYOUBLPZHQNHA-RBUKOAKNSA-N 2 1 373.541 3.263 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C/C=C/c2ccc(F)c(F)c2)C1 ZINC000511929253 503417750 /nfs/dbraw/zinc/41/77/50/503417750.db2.gz ZJPSEACYZWIMKX-RTLBZRNLSA-N 2 1 358.432 3.334 20 0 FGADMP CN(C[C@@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922966 503420746 /nfs/dbraw/zinc/42/07/46/503420746.db2.gz VTVXCVOCUCUYLJ-RDJZCZTQSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922966 503420748 /nfs/dbraw/zinc/42/07/48/503420748.db2.gz VTVXCVOCUCUYLJ-RDJZCZTQSA-N 2 1 358.404 3.081 20 0 FGADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(OC(F)(F)F)c1)C1CC1)C1CC1 ZINC000515922966 503420750 /nfs/dbraw/zinc/42/07/50/503420750.db2.gz VTVXCVOCUCUYLJ-RDJZCZTQSA-N 2 1 358.404 3.081 20 0 FGADMP C[C@@H]1CC[N@@H+](C)CCN1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000493409878 503425965 /nfs/dbraw/zinc/42/59/65/503425965.db2.gz CPIDDQXQHALFBQ-GOSISDBHSA-N 2 1 358.530 3.273 20 0 FGADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000516241910 503479102 /nfs/dbraw/zinc/47/91/02/503479102.db2.gz XXYNWRGUYKAOTA-JTJHWIPRSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000516241910 503479107 /nfs/dbraw/zinc/47/91/07/503479107.db2.gz XXYNWRGUYKAOTA-JTJHWIPRSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000516241910 503479113 /nfs/dbraw/zinc/47/91/13/503479113.db2.gz XXYNWRGUYKAOTA-JTJHWIPRSA-N 2 1 372.557 3.051 20 0 FGADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000516241910 503479117 /nfs/dbraw/zinc/47/91/17/503479117.db2.gz XXYNWRGUYKAOTA-JTJHWIPRSA-N 2 1 372.557 3.051 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000516244464 503479202 /nfs/dbraw/zinc/47/92/02/503479202.db2.gz SSOKGGIMVGEMEX-RBUKOAKNSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000494068576 503482750 /nfs/dbraw/zinc/48/27/50/503482750.db2.gz IPQMOTRXIDFPPZ-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP CCc1cc(OC)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000503907083 503486212 /nfs/dbraw/zinc/48/62/12/503486212.db2.gz CCTXMBJRQVLMLS-KDURUIRLSA-N 2 1 359.558 3.248 20 0 FGADMP CCc1cc(OC)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000503907083 503486217 /nfs/dbraw/zinc/48/62/17/503486217.db2.gz CCTXMBJRQVLMLS-KDURUIRLSA-N 2 1 359.558 3.248 20 0 FGADMP COCC[N@H+](CCn1cc[nH+]c1C)Cc1cc(Br)cs1 ZINC000494108513 503488734 /nfs/dbraw/zinc/48/87/34/503488734.db2.gz PFBVIXWXHBVHSE-UHFFFAOYSA-N 2 1 358.305 3.164 20 0 FGADMP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1cc(Br)cs1 ZINC000494108513 503488739 /nfs/dbraw/zinc/48/87/39/503488739.db2.gz PFBVIXWXHBVHSE-UHFFFAOYSA-N 2 1 358.305 3.164 20 0 FGADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(I)cc1 ZINC000499931593 503513514 /nfs/dbraw/zinc/51/35/14/503513514.db2.gz YQJMHVVCSVWBKB-UHFFFAOYSA-N 2 1 358.267 3.209 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(I)cc1 ZINC000499931593 503513518 /nfs/dbraw/zinc/51/35/18/503513518.db2.gz YQJMHVVCSVWBKB-UHFFFAOYSA-N 2 1 358.267 3.209 20 0 FGADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)c1ccccc1 ZINC000516490617 503519865 /nfs/dbraw/zinc/51/98/65/503519865.db2.gz LBBFOUFOWPSYTF-OAQYLSRUSA-N 2 1 357.542 3.450 20 0 FGADMP CCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCc2ccccc21 ZINC000508606518 503528480 /nfs/dbraw/zinc/52/84/80/503528480.db2.gz XKOTXXXCBRJTQI-NRFANRHFSA-N 2 1 365.525 3.128 20 0 FGADMP CCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)[C@H]1CCc2ccccc21 ZINC000508606518 503528483 /nfs/dbraw/zinc/52/84/83/503528483.db2.gz XKOTXXXCBRJTQI-NRFANRHFSA-N 2 1 365.525 3.128 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000516537130 503529677 /nfs/dbraw/zinc/52/96/77/503529677.db2.gz PGEFGHQWKIMWOF-IBGZPJMESA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000516570904 503539289 /nfs/dbraw/zinc/53/92/89/503539289.db2.gz JJQPWIZTFJUQIT-KQLYMOGASA-N 2 1 351.494 3.076 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc2ccccc2c1 ZINC000516570904 503539296 /nfs/dbraw/zinc/53/92/96/503539296.db2.gz JJQPWIZTFJUQIT-KQLYMOGASA-N 2 1 351.494 3.076 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[N@@H+](C)CC[C@@H]2C)C[NH+]1Cc1ccccc1 ZINC000512422847 503545551 /nfs/dbraw/zinc/54/55/51/503545551.db2.gz BEGCAIAJHJZCPF-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C)CC[C@@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000512422847 503545554 /nfs/dbraw/zinc/54/55/54/503545554.db2.gz BEGCAIAJHJZCPF-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH+](C)CC[C@@H]2C)C[N@H+]1Cc1ccccc1 ZINC000512422847 503545556 /nfs/dbraw/zinc/54/55/56/503545556.db2.gz BEGCAIAJHJZCPF-QKNQBKEWSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H](Nc1ccc(N2CCOCC2)nc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508700189 503545868 /nfs/dbraw/zinc/54/58/68/503545868.db2.gz SHVUAJOZNOQXIK-QUCCMNQESA-N 2 1 366.509 3.241 20 0 FGADMP C[C@@H]([NH2+]CCCNC(=O)c1cccs1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508717317 503549548 /nfs/dbraw/zinc/54/95/48/503549548.db2.gz LNEUPRDQWYDCTJ-IEBWSBKVSA-N 2 1 371.550 3.368 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000500134109 503562214 /nfs/dbraw/zinc/56/22/14/503562214.db2.gz RECUHPKXAOAEPT-MOPGFXCFSA-N 2 1 374.573 3.448 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000516689230 503569856 /nfs/dbraw/zinc/56/98/56/503569856.db2.gz SBNPLMSDPSUKCB-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000516689230 503569858 /nfs/dbraw/zinc/56/98/58/503569858.db2.gz SBNPLMSDPSUKCB-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000516689230 503569860 /nfs/dbraw/zinc/56/98/60/503569860.db2.gz SBNPLMSDPSUKCB-UXHICEINSA-N 2 1 372.557 3.024 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000508849430 503576688 /nfs/dbraw/zinc/57/66/88/503576688.db2.gz BTTUVBLZRJOGQG-HNJRGHQBSA-N 2 1 360.546 3.192 20 0 FGADMP C[N@@H+](CCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512560246 503583896 /nfs/dbraw/zinc/58/38/96/503583896.db2.gz CSFSQEYOAUQAPJ-YIONKMFJSA-N 2 1 353.304 3.385 20 0 FGADMP C[NH+](CCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512560246 503583897 /nfs/dbraw/zinc/58/38/97/503583897.db2.gz CSFSQEYOAUQAPJ-YIONKMFJSA-N 2 1 353.304 3.385 20 0 FGADMP C[NH+](CCOc1ccccc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512560246 503583900 /nfs/dbraw/zinc/58/39/00/503583900.db2.gz CSFSQEYOAUQAPJ-YIONKMFJSA-N 2 1 353.304 3.385 20 0 FGADMP CC(C)[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000494672576 503589748 /nfs/dbraw/zinc/58/97/48/503589748.db2.gz ZZNXWGJCRLANFH-OIISXLGYSA-N 2 1 371.447 3.188 20 0 FGADMP C[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000516845117 503598152 /nfs/dbraw/zinc/59/81/52/503598152.db2.gz HXZWZRULYHDNTP-RTBURBONSA-N 2 1 357.542 3.135 20 0 FGADMP C[C@](O)(C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000512631627 503599991 /nfs/dbraw/zinc/59/99/91/503599991.db2.gz RYQPBLOTBFCCRQ-XDNAFOTISA-N 2 1 356.432 3.190 20 0 FGADMP O=C1CCCCN1CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000512654076 503603573 /nfs/dbraw/zinc/60/35/73/503603573.db2.gz JCFCNSNEWXKXNJ-FDFHNCONSA-N 2 1 369.553 3.279 20 0 FGADMP CCO[C@@H]1C[C@@](CO)([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969925 503634394 /nfs/dbraw/zinc/63/43/94/503634394.db2.gz MUAGXLIMAKFEOP-VIZSFHNOSA-N 2 1 372.553 3.339 20 0 FGADMP CCO[C@@H]1C[C@@](CO)([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1(C)C ZINC000516969925 503634400 /nfs/dbraw/zinc/63/44/00/503634400.db2.gz MUAGXLIMAKFEOP-VIZSFHNOSA-N 2 1 372.553 3.339 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666708 503668490 /nfs/dbraw/zinc/66/84/90/503668490.db2.gz RTWUOPKHAQEDGO-WIYYLYMNSA-N 2 1 371.569 3.248 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC(C)(C)O3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000536666708 503668496 /nfs/dbraw/zinc/66/84/96/503668496.db2.gz RTWUOPKHAQEDGO-WIYYLYMNSA-N 2 1 371.569 3.248 20 0 FGADMP CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000532950746 503671380 /nfs/dbraw/zinc/67/13/80/503671380.db2.gz FHSHSWCYLUDFGN-AWEZNQCLSA-N 2 1 352.910 3.114 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000532950746 503671389 /nfs/dbraw/zinc/67/13/89/503671389.db2.gz FHSHSWCYLUDFGN-AWEZNQCLSA-N 2 1 352.910 3.114 20 0 FGADMP [NH3+]CCC1CCN(C(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)CC1 ZINC000517243503 503691200 /nfs/dbraw/zinc/69/12/00/503691200.db2.gz ORIRNSUDNAQEMG-SFHVURJKSA-N 2 1 358.530 3.081 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000517491451 503756416 /nfs/dbraw/zinc/75/64/16/503756416.db2.gz KZSJSRYBBHTCHW-QZTJIDSGSA-N 2 1 366.575 3.305 20 0 FGADMP C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)[C@H](C)C1 ZINC000543405469 503757445 /nfs/dbraw/zinc/75/74/45/503757445.db2.gz XINKYULUWROKSN-DGQTTZFYSA-N 2 1 357.542 3.298 20 0 FGADMP Cc1ccccc1C[N@@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220464 503766032 /nfs/dbraw/zinc/76/60/32/503766032.db2.gz KLFDVYFPOHRVEJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000533220464 503766037 /nfs/dbraw/zinc/76/60/37/503766037.db2.gz KLFDVYFPOHRVEJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000533220464 503766042 /nfs/dbraw/zinc/76/60/42/503766042.db2.gz KLFDVYFPOHRVEJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP Cc1ccccc1C[NH+](C)[C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000533220464 503766045 /nfs/dbraw/zinc/76/60/45/503766045.db2.gz KLFDVYFPOHRVEJ-KNQAVFIVSA-N 2 1 365.521 3.206 20 0 FGADMP C[C@H](CC[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[NH+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543478267 503788151 /nfs/dbraw/zinc/78/81/51/503788151.db2.gz OMIJRRHNRVCPSG-USYVTKNRSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543478267 503788153 /nfs/dbraw/zinc/78/81/53/503788153.db2.gz OMIJRRHNRVCPSG-USYVTKNRSA-N 2 1 368.606 3.223 20 0 FGADMP C[C@H](CC[NH+]1CC[C@H](C(C)(C)C)[C@H](O)C1)[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1 ZINC000543478267 503788155 /nfs/dbraw/zinc/78/81/55/503788155.db2.gz OMIJRRHNRVCPSG-USYVTKNRSA-N 2 1 368.606 3.223 20 0 FGADMP CC[NH+]1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000537060301 503790883 /nfs/dbraw/zinc/79/08/83/503790883.db2.gz XHDPCRPLDBASDV-UHFFFAOYSA-N 2 1 351.800 3.207 20 0 FGADMP C[C@H]1C[N@@H+](CCOc2ccc(CC[NH2+][C@@H]3CCCOCC3)cc2)C[C@H]1C ZINC000546606316 503805633 /nfs/dbraw/zinc/80/56/33/503805633.db2.gz WSOJMKNHJXKCEB-SVFBPWRDSA-N 2 1 360.542 3.354 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCCCC2 ZINC000540595634 503827594 /nfs/dbraw/zinc/82/75/94/503827594.db2.gz CZCNOJSJHZTTGH-RBUKOAKNSA-N 2 1 350.547 3.349 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+](C(C)C)C2CCC2)CC1 ZINC000533394579 503829572 /nfs/dbraw/zinc/82/95/72/503829572.db2.gz GFVIADAZLSVXKQ-UHFFFAOYSA-N 2 1 357.542 3.292 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+](C(C)C)C2CCC2)CC1 ZINC000533394579 503829577 /nfs/dbraw/zinc/82/95/77/503829577.db2.gz GFVIADAZLSVXKQ-UHFFFAOYSA-N 2 1 357.542 3.292 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+](C(C)C)C2CCC2)CC1 ZINC000533394579 503829584 /nfs/dbraw/zinc/82/95/84/503829584.db2.gz GFVIADAZLSVXKQ-UHFFFAOYSA-N 2 1 357.542 3.292 20 0 FGADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000537194839 503836637 /nfs/dbraw/zinc/83/66/37/503836637.db2.gz LBBTZHRRCPBFMO-SFTDATJTSA-N 2 1 357.542 3.485 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(F)c3F)cn2)CC1 ZINC000540651079 503845370 /nfs/dbraw/zinc/84/53/70/503845370.db2.gz KFMHVCLZCUQHBR-OAHLLOKOSA-N 2 1 360.452 3.353 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)C1CC[NH+](C)CC1 ZINC000527636233 503868652 /nfs/dbraw/zinc/86/86/52/503868652.db2.gz ROJXUIRHZRZCGJ-TZIWHRDSSA-N 2 1 357.542 3.087 20 0 FGADMP c1csc(-c2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cs2)c1 ZINC000530241286 503889856 /nfs/dbraw/zinc/88/98/56/503889856.db2.gz POZUDFAZOHDGPY-MRXNPFEDSA-N 2 1 363.552 3.462 20 0 FGADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Cl)cc2)C1 ZINC000518361710 503963183 /nfs/dbraw/zinc/96/31/83/503963183.db2.gz DQNWFWOEXQLFQC-FUHWJXTLSA-N 2 1 354.922 3.037 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(-c3cccs3)o2)CC1 ZINC000544021196 503976037 /nfs/dbraw/zinc/97/60/37/503976037.db2.gz KUDCALBXJBBUCD-UHFFFAOYSA-N 2 1 368.462 3.407 20 0 FGADMP CC[N@@H+](Cc1nccn1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000537627966 503982039 /nfs/dbraw/zinc/98/20/39/503982039.db2.gz VQDLKKDDZMOTGT-UHFFFAOYSA-N 2 1 356.518 3.133 20 0 FGADMP CCN(Cc1nccn1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000537627966 503982042 /nfs/dbraw/zinc/98/20/42/503982042.db2.gz VQDLKKDDZMOTGT-UHFFFAOYSA-N 2 1 356.518 3.133 20 0 FGADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1)c1ccccc1 ZINC000518438132 503983686 /nfs/dbraw/zinc/98/36/86/503983686.db2.gz MIUVVHNKIMBMAG-RXVVDRJESA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438132 503983689 /nfs/dbraw/zinc/98/36/89/503983689.db2.gz MIUVVHNKIMBMAG-RXVVDRJESA-N 2 1 353.510 3.316 20 0 FGADMP CC[NH+](C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000518438132 503983695 /nfs/dbraw/zinc/98/36/95/503983695.db2.gz MIUVVHNKIMBMAG-RXVVDRJESA-N 2 1 353.510 3.316 20 0 FGADMP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000533913237 503987297 /nfs/dbraw/zinc/98/72/97/503987297.db2.gz OEDDBIOVDNVPBP-PMACEKPBSA-N 2 1 360.546 3.240 20 0 FGADMP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H]1CC=CCC1 ZINC000544112241 504011880 /nfs/dbraw/zinc/01/18/80/504011880.db2.gz WOHDSTGSUOOMJV-HXUWFJFHSA-N 2 1 355.526 3.187 20 0 FGADMP C[C@@H]1C[N@@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCCC[C@@H]21 ZINC000541112258 504012214 /nfs/dbraw/zinc/01/22/14/504012214.db2.gz XXQGPLSPYZDHIP-STZQEDGTSA-N 2 1 369.553 3.409 20 0 FGADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000544198606 504045281 /nfs/dbraw/zinc/04/52/81/504045281.db2.gz PUROTBXHHWHBIF-PKOBYXMFSA-N 2 1 372.557 3.484 20 0 FGADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000530664980 504045437 /nfs/dbraw/zinc/04/54/37/504045437.db2.gz WNEPMEBTHCBEGZ-CQSZACIVSA-N 2 1 360.454 3.050 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528165294 504100544 /nfs/dbraw/zinc/10/05/44/504100544.db2.gz BXRIBIUSKOABEZ-IBGZPJMESA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CC1 ZINC000528165294 504100549 /nfs/dbraw/zinc/10/05/49/504100549.db2.gz BXRIBIUSKOABEZ-IBGZPJMESA-N 2 1 363.933 3.153 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000530840631 504103135 /nfs/dbraw/zinc/10/31/35/504103135.db2.gz BHUCVKBVCFMMSE-YJBOKZPZSA-N 2 1 366.937 3.116 20 0 FGADMP C[C@@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)c1ccccc1 ZINC000538047114 504124176 /nfs/dbraw/zinc/12/41/76/504124176.db2.gz PBHVILDLYNNSDP-XUVXKRRUSA-N 2 1 360.542 3.380 20 0 FGADMP C[C@H](CCNC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000541441516 504131520 /nfs/dbraw/zinc/13/15/20/504131520.db2.gz FYXJNEWPLGXJJF-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000538098194 504132834 /nfs/dbraw/zinc/13/28/34/504132834.db2.gz CODQWDGUCRWJJF-WMZOPIPTSA-N 2 1 351.922 3.214 20 0 FGADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000528285435 504147251 /nfs/dbraw/zinc/14/72/51/504147251.db2.gz JCXHYIJCWKSVEY-NRFANRHFSA-N 2 1 372.557 3.297 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000528307779 504160956 /nfs/dbraw/zinc/16/09/56/504160956.db2.gz PAQNYAOYSFJIAZ-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307779 504160961 /nfs/dbraw/zinc/16/09/61/504160961.db2.gz PAQNYAOYSFJIAZ-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000528307779 504160965 /nfs/dbraw/zinc/16/09/65/504160965.db2.gz PAQNYAOYSFJIAZ-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307779 504160971 /nfs/dbraw/zinc/16/09/71/504160971.db2.gz PAQNYAOYSFJIAZ-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP CC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000528307779 504160976 /nfs/dbraw/zinc/16/09/76/504160976.db2.gz PAQNYAOYSFJIAZ-IEBWSBKVSA-N 2 1 363.933 3.153 20 0 FGADMP CO[C@@H]1CC[N@@H+](Cc2cncc(C[NH+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000519311729 504189179 /nfs/dbraw/zinc/18/91/79/504189179.db2.gz NQNJYZFSBGGCQI-DGQTTZFYSA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000519311729 504189182 /nfs/dbraw/zinc/18/91/82/504189182.db2.gz NQNJYZFSBGGCQI-DGQTTZFYSA-N 2 1 361.530 3.080 20 0 FGADMP CO[C@@H]1CC[NH+](Cc2cncc(C[N@H+]3CC[C@H](OC)C[C@H]3C)c2)[C@H](C)C1 ZINC000519311729 504189185 /nfs/dbraw/zinc/18/91/85/504189185.db2.gz NQNJYZFSBGGCQI-DGQTTZFYSA-N 2 1 361.530 3.080 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000519356825 504200942 /nfs/dbraw/zinc/20/09/42/504200942.db2.gz XEBSXIABUMKZFM-NRSPTQNISA-N 2 1 370.541 3.092 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ncccc3Cl)CC2)CC1 ZINC000528392302 504203562 /nfs/dbraw/zinc/20/35/62/504203562.db2.gz BYZOEURYWKBMBV-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ncccc3Cl)CC2)CC1 ZINC000528392302 504203567 /nfs/dbraw/zinc/20/35/67/504203567.db2.gz BYZOEURYWKBMBV-UHFFFAOYSA-N 2 1 364.965 3.363 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N2CC[NH+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681344 504215397 /nfs/dbraw/zinc/21/53/97/504215397.db2.gz XCLXEGDFEKBNKA-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@H+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681344 504215401 /nfs/dbraw/zinc/21/54/01/504215401.db2.gz XCLXEGDFEKBNKA-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP CCC[NH+]1CC[C@@H](CNC(=O)N2CC[N@@H+](Cc3ccccc3)[C@@H](CC)C2)C1 ZINC000544681344 504215405 /nfs/dbraw/zinc/21/54/05/504215405.db2.gz XCLXEGDFEKBNKA-SFTDATJTSA-N 2 1 372.557 3.024 20 0 FGADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476296 504228875 /nfs/dbraw/zinc/22/88/75/504228875.db2.gz FBXVZQDNYZNILQ-QMMLZNLJSA-N 2 1 351.494 3.241 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000519476296 504228880 /nfs/dbraw/zinc/22/88/80/504228880.db2.gz FBXVZQDNYZNILQ-QMMLZNLJSA-N 2 1 351.494 3.241 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)N3CCC(CC[NH3+])CC3)cc2)C1 ZINC000519536792 504244766 /nfs/dbraw/zinc/24/47/66/504244766.db2.gz AMDJOWARZATZLA-GOSISDBHSA-N 2 1 372.557 3.189 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534811700 504248214 /nfs/dbraw/zinc/24/82/14/504248214.db2.gz YUELZSUJPOQLIX-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000534811700 504248217 /nfs/dbraw/zinc/24/82/17/504248217.db2.gz YUELZSUJPOQLIX-MSOLQXFVSA-N 2 1 366.937 3.116 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H](OC)c3ccc(F)cc3)CC2)CC1 ZINC000528526549 504261354 /nfs/dbraw/zinc/26/13/54/504261354.db2.gz JSRXFZPXABWCNA-OAQYLSRUSA-N 2 1 363.521 3.005 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000531318066 504264498 /nfs/dbraw/zinc/26/44/98/504264498.db2.gz GFYFNAOWDHBHLR-GOSISDBHSA-N 2 1 366.937 3.068 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379067 504284743 /nfs/dbraw/zinc/28/47/43/504284743.db2.gz VFCYVKALKVGNOG-XIRDDKMYSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379067 504284745 /nfs/dbraw/zinc/28/47/45/504284745.db2.gz VFCYVKALKVGNOG-XIRDDKMYSA-N 2 1 374.447 3.250 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC000531379067 504284747 /nfs/dbraw/zinc/28/47/47/504284747.db2.gz VFCYVKALKVGNOG-XIRDDKMYSA-N 2 1 374.447 3.250 20 0 FGADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+](C)C ZINC000519655616 504291130 /nfs/dbraw/zinc/29/11/30/504291130.db2.gz DODSFEHKPHJNFU-POAQFYNOSA-N 2 1 372.513 3.181 20 0 FGADMP CC[N@@H+](CCC1CC1)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000544896137 504293344 /nfs/dbraw/zinc/29/33/44/504293344.db2.gz KZRWGJPRXNRIBT-UHFFFAOYSA-N 2 1 361.555 3.296 20 0 FGADMP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000534963652 504295274 /nfs/dbraw/zinc/29/52/74/504295274.db2.gz HJBXEFYZXFJICY-MOPGFXCFSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000519814582 504350517 /nfs/dbraw/zinc/35/05/17/504350517.db2.gz GGVGWDABVCPQST-AWEZNQCLSA-N 2 1 372.456 3.169 20 0 FGADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(OC)c(OCC(F)F)c(OC)c2)C1 ZINC000519814582 504350521 /nfs/dbraw/zinc/35/05/21/504350521.db2.gz GGVGWDABVCPQST-AWEZNQCLSA-N 2 1 372.456 3.169 20 0 FGADMP CCC[N@H+](Cc1nccc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000535208935 504373250 /nfs/dbraw/zinc/37/32/50/504373250.db2.gz ZOLMPERTVMSZOR-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP CCC[N@@H+](Cc1nccc(C)n1)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000535208935 504373256 /nfs/dbraw/zinc/37/32/56/504373256.db2.gz ZOLMPERTVMSZOR-UHFFFAOYSA-N 2 1 354.502 3.073 20 0 FGADMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@H]1c1cccs1 ZINC000545344416 504451616 /nfs/dbraw/zinc/45/16/16/504451616.db2.gz DXPIXFAHXSRMLW-LPHOPBHVSA-N 2 1 371.554 3.445 20 0 FGADMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c(N3CCCCC3)n2)[C@H]1c1cccs1 ZINC000545344416 504451620 /nfs/dbraw/zinc/45/16/20/504451620.db2.gz DXPIXFAHXSRMLW-LPHOPBHVSA-N 2 1 371.554 3.445 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CCn2c(C)csc2=O)CC1)CC(C)C ZINC000539099261 504471485 /nfs/dbraw/zinc/47/14/85/504471485.db2.gz VTZOCDRYGARQDS-UHFFFAOYSA-N 2 1 353.576 3.298 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000531937454 504480660 /nfs/dbraw/zinc/48/06/60/504480660.db2.gz ASLGLAXJORVKID-SIKLNZKXSA-N 3 1 370.541 3.158 20 0 FGADMP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000542478734 504506675 /nfs/dbraw/zinc/50/66/75/504506675.db2.gz OWXHLDUTDAEUMA-KNQAVFIVSA-N 2 1 359.558 3.080 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000545521044 504515052 /nfs/dbraw/zinc/51/50/52/504515052.db2.gz IZSBUBMHICFLNI-OAQYLSRUSA-N 2 1 359.558 3.080 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000542534409 504530669 /nfs/dbraw/zinc/53/06/69/504530669.db2.gz UBUQINNBRCUFKL-BQFCYCMXSA-N 2 1 361.505 3.246 20 0 FGADMP C[C@H](NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1ccc(F)cc1 ZINC000542534409 504530676 /nfs/dbraw/zinc/53/06/76/504530676.db2.gz UBUQINNBRCUFKL-BQFCYCMXSA-N 2 1 361.505 3.246 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N[C@@H]2CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578419 504534074 /nfs/dbraw/zinc/53/40/74/504534074.db2.gz KJLVJHUWOGXTMC-SFHLNBCPSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578419 504534081 /nfs/dbraw/zinc/53/40/81/504534081.db2.gz KJLVJHUWOGXTMC-SFHLNBCPSA-N 2 1 372.557 3.242 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N[C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000520578419 504534084 /nfs/dbraw/zinc/53/40/84/504534084.db2.gz KJLVJHUWOGXTMC-SFHLNBCPSA-N 2 1 372.557 3.242 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000545602367 504538212 /nfs/dbraw/zinc/53/82/12/504538212.db2.gz RRDZHDDDNRQMSV-HXUWFJFHSA-N 2 1 352.486 3.293 20 0 FGADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000542593587 504548055 /nfs/dbraw/zinc/54/80/55/504548055.db2.gz VRZIHNPIDZMPAF-UHFFFAOYSA-N 2 1 353.913 3.329 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000529164375 504561638 /nfs/dbraw/zinc/56/16/38/504561638.db2.gz ALOQKFAAZNAGDQ-BHIFYINESA-N 2 1 371.569 3.477 20 0 FGADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCc3cc(F)ccc32)c2cccs2)CC1 ZINC000532187951 504567511 /nfs/dbraw/zinc/56/75/11/504567511.db2.gz OWRQTYYVGCNHKS-RTBURBONSA-N 2 1 359.514 3.453 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000532191751 504568820 /nfs/dbraw/zinc/56/88/20/504568820.db2.gz QDIYQXNIIKZQRX-AYOQOUSVSA-N 2 1 363.933 3.293 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756749 504574902 /nfs/dbraw/zinc/57/49/02/504574902.db2.gz VZSHJEQIUHWRMN-RCLSDMTESA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756749 504574908 /nfs/dbraw/zinc/57/49/08/504574908.db2.gz VZSHJEQIUHWRMN-RCLSDMTESA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000520756749 504574913 /nfs/dbraw/zinc/57/49/13/504574913.db2.gz VZSHJEQIUHWRMN-RCLSDMTESA-N 2 1 372.557 3.384 20 0 FGADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529290689 504621520 /nfs/dbraw/zinc/62/15/20/504621520.db2.gz VHXZWLIWWGVHLN-FXAWDEMLSA-N 2 1 370.541 3.002 20 0 FGADMP CC1CC[NH+](CC(=O)NCc2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)CC1 ZINC000532388127 504632777 /nfs/dbraw/zinc/63/27/77/504632777.db2.gz ILSKEVQUYZEXEB-LJQANCHMSA-N 2 1 357.542 3.267 20 0 FGADMP CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C[N@H+](C)C(C)C)CC2)c1C ZINC000532536676 504686204 /nfs/dbraw/zinc/68/62/04/504686204.db2.gz HPYKAFPCACLRKH-MRXNPFEDSA-N 2 1 361.530 3.458 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCN2Cc2ccc(Cl)cc2)C1 ZINC000529484351 504694477 /nfs/dbraw/zinc/69/44/77/504694477.db2.gz WSHDOCJEMHWCIG-QFBILLFUSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484351 504694484 /nfs/dbraw/zinc/69/44/84/504694484.db2.gz WSHDOCJEMHWCIG-QFBILLFUSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000529484351 504694491 /nfs/dbraw/zinc/69/44/91/504694491.db2.gz WSHDOCJEMHWCIG-QFBILLFUSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484351 504694498 /nfs/dbraw/zinc/69/44/98/504694498.db2.gz WSHDOCJEMHWCIG-QFBILLFUSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000529484351 504694501 /nfs/dbraw/zinc/69/45/01/504694501.db2.gz WSHDOCJEMHWCIG-QFBILLFUSA-N 2 1 363.933 3.153 20 0 FGADMP CC(C)CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1CC1 ZINC000549146653 504702454 /nfs/dbraw/zinc/70/24/54/504702454.db2.gz WTRBSQMFMDTUTE-NRFANRHFSA-N 2 1 357.542 3.379 20 0 FGADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC(F)(F)C1 ZINC000529534754 504718368 /nfs/dbraw/zinc/71/83/68/504718368.db2.gz OYLFYKUKCQELDL-APWZRJJASA-N 2 1 351.485 3.389 20 0 FGADMP COc1cc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000529565919 504730102 /nfs/dbraw/zinc/73/01/02/504730102.db2.gz MJVZKISNMAVBCG-UHFFFAOYSA-N 2 1 373.463 3.172 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521589365 504761295 /nfs/dbraw/zinc/76/12/95/504761295.db2.gz YUVXGPCPCCZGIB-KDURUIRLSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521589365 504761297 /nfs/dbraw/zinc/76/12/97/504761297.db2.gz YUVXGPCPCCZGIB-KDURUIRLSA-N 2 1 357.542 3.007 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000521589365 504761298 /nfs/dbraw/zinc/76/12/98/504761298.db2.gz YUVXGPCPCCZGIB-KDURUIRLSA-N 2 1 357.542 3.007 20 0 FGADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C1 ZINC000565154337 504809333 /nfs/dbraw/zinc/80/93/33/504809333.db2.gz APYMPMZREHIDQE-QZTJIDSGSA-N 2 1 374.488 3.378 20 0 FGADMP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000565158073 504810846 /nfs/dbraw/zinc/81/08/46/504810846.db2.gz QMWLDQLAIYPHPS-FUHWJXTLSA-N 2 1 353.510 3.281 20 0 FGADMP C[C@H]([NH2+]Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000565158073 504810851 /nfs/dbraw/zinc/81/08/51/504810851.db2.gz QMWLDQLAIYPHPS-FUHWJXTLSA-N 2 1 353.510 3.281 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC4(CCC4)[C@@H]3C(C)C)CC2)CC1 ZINC000565202764 504825546 /nfs/dbraw/zinc/82/55/46/504825546.db2.gz BJEWTZFTHFPVSE-FQEVSTJZSA-N 2 1 361.574 3.220 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(CC(=O)NCC3(c4ccccc4)CCCC3)C2)C1 ZINC000559310855 504828022 /nfs/dbraw/zinc/82/80/22/504828022.db2.gz FHNROFQJIDITHK-QFIPXVFZSA-N 2 1 369.553 3.032 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000559337341 504839502 /nfs/dbraw/zinc/83/95/02/504839502.db2.gz UCHXLMJCQHVXHR-KSEOMHKRSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337341 504839505 /nfs/dbraw/zinc/83/95/05/504839505.db2.gz UCHXLMJCQHVXHR-KSEOMHKRSA-N 2 1 369.553 3.372 20 0 FGADMP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](C)Cc1ccccc1 ZINC000559337341 504839507 /nfs/dbraw/zinc/83/95/07/504839507.db2.gz UCHXLMJCQHVXHR-KSEOMHKRSA-N 2 1 369.553 3.372 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H]3CCc4cc(F)ccc43)CC2)CC1 ZINC000553365204 504894535 /nfs/dbraw/zinc/89/45/35/504894535.db2.gz UBCIDJMYCMIJIO-NRFANRHFSA-N 2 1 373.516 3.126 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc2ccccc21 ZINC000562649619 504894852 /nfs/dbraw/zinc/89/48/52/504894852.db2.gz NITNMLGETRVGAR-OAQYLSRUSA-N 2 1 367.537 3.449 20 0 FGADMP C[C@@H]([NH3+])CCC(=O)N1CCC([N@@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000565480107 504900118 /nfs/dbraw/zinc/90/01/18/504900118.db2.gz UAZQLKYXKNMVIB-CQSZACIVSA-N 2 1 371.447 3.256 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000565526744 504913366 /nfs/dbraw/zinc/91/33/66/504913366.db2.gz BKSWJUNUIIWWCN-MJGOQNOKSA-N 2 1 367.497 3.413 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000549861087 504920076 /nfs/dbraw/zinc/92/00/76/504920076.db2.gz XVDZJTRVHIIYFM-IFMALSPDSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000549861087 504920081 /nfs/dbraw/zinc/92/00/81/504920081.db2.gz XVDZJTRVHIIYFM-IFMALSPDSA-N 2 1 356.485 3.183 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccc(F)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000549861087 504920085 /nfs/dbraw/zinc/92/00/85/504920085.db2.gz XVDZJTRVHIIYFM-IFMALSPDSA-N 2 1 356.485 3.183 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559785175 504927649 /nfs/dbraw/zinc/92/76/49/504927649.db2.gz MZIHKXGKBIWPOM-LEWJYISDSA-N 2 1 369.484 3.371 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 ZINC000559785175 504927650 /nfs/dbraw/zinc/92/76/50/504927650.db2.gz MZIHKXGKBIWPOM-LEWJYISDSA-N 2 1 369.484 3.371 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@H](C)[C@H]3c3ccccc3)CC2)CC1 ZINC000553492677 504931182 /nfs/dbraw/zinc/93/11/82/504931182.db2.gz GXPZZGKDLYSTGU-AVRDEDQJSA-N 2 1 369.553 3.402 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000565652270 504949481 /nfs/dbraw/zinc/94/94/81/504949481.db2.gz DKCKBMVHJAZSPQ-KBPBESRZSA-N 2 1 361.313 3.055 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000562818920 504956284 /nfs/dbraw/zinc/95/62/84/504956284.db2.gz TYRPIBSVNGOISH-JBACZVJFSA-N 2 1 372.557 3.200 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000565705085 504964250 /nfs/dbraw/zinc/96/42/50/504964250.db2.gz FULKMLNGRYOQQU-ZWKOTPCHSA-N 2 1 370.541 3.451 20 0 FGADMP CO[C@@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000565717050 504967246 /nfs/dbraw/zinc/96/72/46/504967246.db2.gz RFJMBHBGPSXZMS-LSDHHAIUSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000565717050 504967249 /nfs/dbraw/zinc/96/72/49/504967249.db2.gz RFJMBHBGPSXZMS-LSDHHAIUSA-N 2 1 360.420 3.303 20 0 FGADMP Cc1ccc(S(=O)(=O)[C@@H]2CCCC[C@H]2[NH2+]CCC[NH2+]C(C)C)cc1 ZINC000562956413 505000157 /nfs/dbraw/zinc/00/01/57/505000157.db2.gz SEEXWSHBLHMXHN-RTBURBONSA-N 2 1 352.544 3.058 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000553768555 505003908 /nfs/dbraw/zinc/00/39/08/505003908.db2.gz PWQBPEGZYITJLP-VURPSTOHSA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768555 505003910 /nfs/dbraw/zinc/00/39/10/505003910.db2.gz PWQBPEGZYITJLP-VURPSTOHSA-N 2 1 357.542 3.086 20 0 FGADMP CC[C@H](C(=O)N1CC[N@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000553768555 505003914 /nfs/dbraw/zinc/00/39/14/505003914.db2.gz PWQBPEGZYITJLP-VURPSTOHSA-N 2 1 357.542 3.086 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1n1cccn1 ZINC000550326315 505023323 /nfs/dbraw/zinc/02/33/23/505023323.db2.gz YSMXJOOHKIGCPW-VOFPXKNKSA-N 2 1 368.525 3.244 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)[C@@H]1n1cccn1 ZINC000550326315 505023327 /nfs/dbraw/zinc/02/33/27/505023327.db2.gz YSMXJOOHKIGCPW-VOFPXKNKSA-N 2 1 368.525 3.244 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+][C@@H]3COc4ccccc4C3)cc2)C[C@H](C)O1 ZINC000550607121 505072758 /nfs/dbraw/zinc/07/27/58/505072758.db2.gz NTFYAQINOUZFRY-SVMVAKDDSA-N 2 1 366.505 3.389 20 0 FGADMP CN(CCC[N@@H+](C)Cc1ccncc1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000563262477 505090790 /nfs/dbraw/zinc/09/07/90/505090790.db2.gz OIBNVPHPEHVHSQ-NRFANRHFSA-N 2 1 368.525 3.055 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2cccc(Cl)c2Cl)[C@@H]2CCC[C@@H]21 ZINC000560530250 505116680 /nfs/dbraw/zinc/11/66/80/505116680.db2.gz PGQIAXOUHYTHJY-SDADXPQNSA-N 2 1 373.324 3.196 20 0 FGADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000566250857 505123731 /nfs/dbraw/zinc/12/37/31/505123731.db2.gz FLVILTNWUGKQSL-RHSMWYFYSA-N 2 1 369.912 3.353 20 0 FGADMP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000551007375 505141314 /nfs/dbraw/zinc/14/13/14/505141314.db2.gz DGFCUPQZQFTVIU-LEWJYISDSA-N 2 1 350.510 3.476 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)C[C@@H]1c1ccccc1 ZINC000551007375 505141318 /nfs/dbraw/zinc/14/13/18/505141318.db2.gz DGFCUPQZQFTVIU-LEWJYISDSA-N 2 1 350.510 3.476 20 0 FGADMP COc1cc(F)c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc1OC ZINC000566335857 505147287 /nfs/dbraw/zinc/14/72/87/505147287.db2.gz IHBORNPCSQNYEE-UHFFFAOYSA-N 2 1 362.445 3.073 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@@H]1c1ccccc1 ZINC000551087647 505154949 /nfs/dbraw/zinc/15/49/49/505154949.db2.gz VNXVQLPEMFGLPP-WBADGQHESA-N 2 1 371.569 3.179 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176495 505171393 /nfs/dbraw/zinc/17/13/93/505171393.db2.gz YSPGMAPCDVWIFE-PMACEKPBSA-N 2 1 353.514 3.112 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](c4ccccc4)C3)CC2)n[nH]1 ZINC000551176495 505171399 /nfs/dbraw/zinc/17/13/99/505171399.db2.gz YSPGMAPCDVWIFE-PMACEKPBSA-N 2 1 353.514 3.112 20 0 FGADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000563618136 505194307 /nfs/dbraw/zinc/19/43/07/505194307.db2.gz NUHVYGDGHTWLFJ-SVFBPWRDSA-N 2 1 374.550 3.298 20 0 FGADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COCc2ccccc2)[C@@H]1c1cccs1 ZINC000563618136 505194308 /nfs/dbraw/zinc/19/43/08/505194308.db2.gz NUHVYGDGHTWLFJ-SVFBPWRDSA-N 2 1 374.550 3.298 20 0 FGADMP O=C(NC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)Nc1cccc(F)c1 ZINC000563664695 505205001 /nfs/dbraw/zinc/20/50/01/505205001.db2.gz AEHLSBKNZBTNSM-IAGOWNOFSA-N 2 1 362.493 3.049 20 0 FGADMP C[C@@H](OC[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1)c1ccc(Cl)cc1 ZINC000566556282 505205086 /nfs/dbraw/zinc/20/50/86/505205086.db2.gz JXBZIQDJDRVUQV-BTWUCOSQSA-N 2 1 366.933 3.385 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620035 505224028 /nfs/dbraw/zinc/22/40/28/505224028.db2.gz YBXZFSYLUANKHO-VQTJNVASSA-N 2 1 354.494 3.217 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)Cc1ccco1 ZINC000566620035 505224033 /nfs/dbraw/zinc/22/40/33/505224033.db2.gz YBXZFSYLUANKHO-VQTJNVASSA-N 2 1 354.494 3.217 20 0 FGADMP C[C@@H]1C[C@H]1[N@H+]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H](C)C1 ZINC000558014077 505285603 /nfs/dbraw/zinc/28/56/03/505285603.db2.gz VBYNSCQHFRCXBW-WAOWUJCRSA-N 2 1 355.526 3.085 20 0 FGADMP C[C@H]1C[C@@H]1[N@H+]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C[C@@H](C)C1 ZINC000558021113 505287977 /nfs/dbraw/zinc/28/79/77/505287977.db2.gz CZZWEMWNVARLGG-FIKGOQFSSA-N 2 1 364.493 3.049 20 0 FGADMP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000566890582 505302008 /nfs/dbraw/zinc/30/20/08/505302008.db2.gz IYAPREJWYIJZKG-RTWAWAEBSA-N 2 1 357.542 3.231 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(CS(C)(=O)=O)CCC2)cc1 ZINC000561369990 505327778 /nfs/dbraw/zinc/32/77/78/505327778.db2.gz MSSQXVVIMWNLFY-HNNXBMFYSA-N 2 1 361.511 3.046 20 0 FGADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN([C@@H](C)c3ccccc3F)C2=O)CC1 ZINC000566987807 505331606 /nfs/dbraw/zinc/33/16/06/505331606.db2.gz GLASAJUHBFIZPG-JXFKEZNVSA-N 2 1 361.505 3.340 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)C[C@H](C)O1 ZINC000555256135 505392406 /nfs/dbraw/zinc/39/24/06/505392406.db2.gz RBARCYSCGJZLOF-CALCHBBNSA-N 2 1 371.525 3.109 20 0 FGADMP C[C@@H]1C[N@H+](Cc2cccc(NC(=O)C3CC[NH+](C4CC4)CC3)c2)C[C@H](C)O1 ZINC000555256135 505392411 /nfs/dbraw/zinc/39/24/11/505392411.db2.gz RBARCYSCGJZLOF-CALCHBBNSA-N 2 1 371.525 3.109 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCc4cc(C)ccc4C3)CC2)CC1 ZINC000567247545 505407861 /nfs/dbraw/zinc/40/78/61/505407861.db2.gz KCPGMGIWGNASMC-UHFFFAOYSA-N 2 1 369.553 3.076 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc(F)cc3Cl)C2)CC1 ZINC000564529427 505443329 /nfs/dbraw/zinc/44/33/29/505443329.db2.gz PKISDSKPRSEDJD-GOSISDBHSA-N 2 1 353.913 3.122 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000564568674 505456433 /nfs/dbraw/zinc/45/64/33/505456433.db2.gz SPHNZNIXRGFDPX-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038405 505499084 /nfs/dbraw/zinc/49/90/84/505499084.db2.gz PMLORSFWRVDKJU-QGPMSJSTSA-N 2 1 356.432 3.386 20 0 FGADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F)C1CC1 ZINC000562038405 505499088 /nfs/dbraw/zinc/49/90/88/505499088.db2.gz PMLORSFWRVDKJU-QGPMSJSTSA-N 2 1 356.432 3.386 20 0 FGADMP CN(C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564716858 505501123 /nfs/dbraw/zinc/50/11/23/505501123.db2.gz LUBLHGWVCXEKRU-JGUMPVPUSA-N 2 1 366.509 3.106 20 0 FGADMP Cn1c2ccc(N[C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2[nH+]c1C(C)(C)C ZINC000567647628 505524562 /nfs/dbraw/zinc/52/45/62/505524562.db2.gz BZDBJVOXRLIOAQ-IXDOHACOSA-N 2 1 356.514 3.440 20 0 FGADMP CCC[N@@H+](C)[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671114 505530908 /nfs/dbraw/zinc/53/09/08/505530908.db2.gz LUFYETKRURJIBS-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671114 505530910 /nfs/dbraw/zinc/53/09/10/505530910.db2.gz LUFYETKRURJIBS-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP CCC[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccc(Cl)cc1 ZINC000552671114 505530912 /nfs/dbraw/zinc/53/09/12/505530912.db2.gz LUFYETKRURJIBS-RTBURBONSA-N 2 1 363.933 3.466 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000564924572 505559274 /nfs/dbraw/zinc/55/92/74/505559274.db2.gz MCGJFZNYVNIELC-HRAATJIYSA-N 2 1 367.493 3.354 20 0 FGADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000564994045 505566155 /nfs/dbraw/zinc/56/61/55/505566155.db2.gz IVTNAFACGQLGDD-SJCJKPOMSA-N 2 1 372.340 3.447 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000589204242 506483052 /nfs/dbraw/zinc/48/30/52/506483052.db2.gz ZJJZEXSYCAOBKJ-GOSISDBHSA-N 2 1 360.546 3.202 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCc2ccc(C)cc2)CC1 ZINC000582922066 506490279 /nfs/dbraw/zinc/49/02/79/506490279.db2.gz VRNWJHLRSDZWMQ-IBGZPJMESA-N 2 1 359.558 3.444 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000608352439 506520208 /nfs/dbraw/zinc/52/02/08/506520208.db2.gz XBVKIYCFWKPWCL-FQEVSTJZSA-N 2 1 357.542 3.294 20 0 FGADMP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC000608357724 506524342 /nfs/dbraw/zinc/52/43/42/506524342.db2.gz GELDYTBPCUQUDF-CTNGQTDRSA-N 2 1 357.542 3.279 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000608384401 506536560 /nfs/dbraw/zinc/53/65/60/506536560.db2.gz VHGBMYYZSBFFPN-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP O[C@@]1(C[NH2+]Cc2cccc(-c3ccncc3)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000608384401 506536566 /nfs/dbraw/zinc/53/65/66/506536566.db2.gz VHGBMYYZSBFFPN-XMMPIXPASA-N 2 1 373.500 3.475 20 0 FGADMP FC(F)(F)COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517177 506539445 /nfs/dbraw/zinc/53/94/45/506539445.db2.gz HNCPYFDPMPHOKM-SFHVURJKSA-N 2 1 372.431 3.361 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000583012906 506540981 /nfs/dbraw/zinc/54/09/81/506540981.db2.gz MCDCLLQADBHOLL-UHFFFAOYSA-N 2 1 352.438 3.069 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)c2ccccc2CC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000583091205 506584634 /nfs/dbraw/zinc/58/46/34/506584634.db2.gz LJNCFBCJTWEYAB-GHTZIAJQSA-N 2 1 365.521 3.313 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccc(C)cc21 ZINC000608673413 506659339 /nfs/dbraw/zinc/65/93/39/506659339.db2.gz OLSDHCQQXHGOAG-FPOVZHCZSA-N 2 1 372.557 3.040 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000608671667 506659653 /nfs/dbraw/zinc/65/96/53/506659653.db2.gz WVOJFJFJMKFZSQ-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000608671667 506659657 /nfs/dbraw/zinc/65/96/57/506659657.db2.gz WVOJFJFJMKFZSQ-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)C1 ZINC000608671667 506659661 /nfs/dbraw/zinc/65/96/61/506659661.db2.gz WVOJFJFJMKFZSQ-NHCUHLMSSA-N 2 1 372.557 3.023 20 0 FGADMP CC[NH+](Cc1ccccc1C[N@@H+](CC)C[C@@H]1CCOC1)C[C@@H]1CCOC1 ZINC000604053812 506700396 /nfs/dbraw/zinc/70/03/96/506700396.db2.gz UKPIKLSCTYOQQL-PMACEKPBSA-N 2 1 360.542 3.403 20 0 FGADMP CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583446126 506782995 /nfs/dbraw/zinc/78/29/95/506782995.db2.gz PTGGAWDLCJXWDA-UHFFFAOYSA-N 2 1 355.507 3.125 20 0 FGADMP CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583446126 506783004 /nfs/dbraw/zinc/78/30/04/506783004.db2.gz PTGGAWDLCJXWDA-UHFFFAOYSA-N 2 1 355.507 3.125 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000600137647 506799179 /nfs/dbraw/zinc/79/91/79/506799179.db2.gz CPDHPPZAKROCKL-PKOBYXMFSA-N 2 1 367.493 3.259 20 0 FGADMP CCOC(=O)c1cccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000600137647 506799187 /nfs/dbraw/zinc/79/91/87/506799187.db2.gz CPDHPPZAKROCKL-PKOBYXMFSA-N 2 1 367.493 3.259 20 0 FGADMP CCC[NH+](CCC)CCCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000590353393 506802007 /nfs/dbraw/zinc/80/20/07/506802007.db2.gz FKHOOSPCVLKPLX-UHFFFAOYSA-N 2 1 374.573 3.416 20 0 FGADMP COC(=O)Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000600186640 506830586 /nfs/dbraw/zinc/83/05/86/506830586.db2.gz GCINQAULRFDHCU-UHFFFAOYSA-N 2 1 352.478 3.156 20 0 FGADMP CC[NH+]1CCCN(C(=O)c2ccccc2OCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000600261091 506878087 /nfs/dbraw/zinc/87/80/87/506878087.db2.gz UPFLDUMKSQGYCX-IBGZPJMESA-N 2 1 373.541 3.108 20 0 FGADMP CC[NH+]1CCCN(C(=O)c2ccccc2OCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000600261091 506878088 /nfs/dbraw/zinc/87/80/88/506878088.db2.gz UPFLDUMKSQGYCX-IBGZPJMESA-N 2 1 373.541 3.108 20 0 FGADMP CC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@H+]2CC2CCCCC2)CC1 ZINC000583648176 506893858 /nfs/dbraw/zinc/89/38/58/506893858.db2.gz AEYSLDLYYNGJKZ-HXUWFJFHSA-N 2 1 364.578 3.062 20 0 FGADMP CNC(=O)c1cccc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662958 506901449 /nfs/dbraw/zinc/90/14/49/506901449.db2.gz FUBNJJXOBZWMAS-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662958 506901455 /nfs/dbraw/zinc/90/14/55/506901455.db2.gz FUBNJJXOBZWMAS-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662958 506901463 /nfs/dbraw/zinc/90/14/63/506901463.db2.gz FUBNJJXOBZWMAS-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP CNC(=O)c1cccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000583662958 506901469 /nfs/dbraw/zinc/90/14/69/506901469.db2.gz FUBNJJXOBZWMAS-VXKWHMMOSA-N 2 1 363.505 3.000 20 0 FGADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000613128595 506929776 /nfs/dbraw/zinc/92/97/76/506929776.db2.gz HNLXALGLGTXDAE-DENIHFKCSA-N 2 1 371.569 3.130 20 0 FGADMP Cc1cc2ncn(C[C@@H](O)C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)c2cc1C ZINC000590786355 506954729 /nfs/dbraw/zinc/95/47/29/506954729.db2.gz TYYSUCZRDJRRJJ-FQEVSTJZSA-N 2 1 372.557 3.066 20 0 FGADMP CCN(C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000583802318 506982916 /nfs/dbraw/zinc/98/29/16/506982916.db2.gz QKSKCKBTBVCRDT-QCFAMHMHSA-N 2 1 372.557 3.371 20 0 FGADMP CC(C)(C)OC(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000613237202 506987163 /nfs/dbraw/zinc/98/71/63/506987163.db2.gz IIWVJDFUXDIAFH-FQEVSTJZSA-N 2 1 374.525 3.375 20 0 FGADMP CCOc1cccc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)c1 ZINC000613256929 506997011 /nfs/dbraw/zinc/99/70/11/506997011.db2.gz YVZAHGJLVMXTJE-IBGZPJMESA-N 2 1 359.539 3.225 20 0 FGADMP Cc1cccc(OCC[N@H+](C)C[C@H](O)Cn2cnc3cc(C)c(C)cc32)c1 ZINC000613341072 507040430 /nfs/dbraw/zinc/04/04/30/507040430.db2.gz SSPYESNODWEZQD-IBGZPJMESA-N 2 1 367.493 3.333 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594310434 507073769 /nfs/dbraw/zinc/07/37/69/507073769.db2.gz FJHJUTVSVAUZDT-KDURUIRLSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594310434 507073777 /nfs/dbraw/zinc/07/37/77/507073777.db2.gz FJHJUTVSVAUZDT-KDURUIRLSA-N 2 1 366.594 3.403 20 0 FGADMP CCCC[NH+](C)CC1CCN(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000594310434 507073784 /nfs/dbraw/zinc/07/37/84/507073784.db2.gz FJHJUTVSVAUZDT-KDURUIRLSA-N 2 1 366.594 3.403 20 0 FGADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)Nc2ccc([C@@H](C)[NH+]3CCOCC3)cc2)C1 ZINC000605202576 507109369 /nfs/dbraw/zinc/10/93/69/507109369.db2.gz MREXHLGDEPZEDA-YLJYHZDGSA-N 2 1 374.529 3.074 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000600839476 507143059 /nfs/dbraw/zinc/14/30/59/507143059.db2.gz NWLZMBPDNXYRPA-FQEVSTJZSA-N 2 1 360.546 3.202 20 0 FGADMP CC[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000584220336 507221042 /nfs/dbraw/zinc/22/10/42/507221042.db2.gz IFTLSERVGCQJRI-NRFANRHFSA-N 2 1 364.493 3.248 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C1CC1 ZINC000591554161 507289583 /nfs/dbraw/zinc/28/95/83/507289583.db2.gz UWWONNPSCQXIIJ-MSOLQXFVSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)[N@H+](C)C1CC1 ZINC000591554161 507289587 /nfs/dbraw/zinc/28/95/87/507289587.db2.gz UWWONNPSCQXIIJ-MSOLQXFVSA-N 2 1 372.557 3.343 20 0 FGADMP C[C@@H](CNC(=O)NCc1ccccc1C[NH+]1CCCC[C@H]1C)[N@@H+](C)C1CC1 ZINC000591554161 507289592 /nfs/dbraw/zinc/28/95/92/507289592.db2.gz UWWONNPSCQXIIJ-MSOLQXFVSA-N 2 1 372.557 3.343 20 0 FGADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000594919800 507315653 /nfs/dbraw/zinc/31/56/53/507315653.db2.gz BEZRSLVONZBZOX-UIAACRFSSA-N 2 1 356.466 3.199 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH2+]C[C@H]3CNc4ccnn4C3)cc2)C1 ZINC000595139035 507405801 /nfs/dbraw/zinc/40/58/01/507405801.db2.gz GLOISDLKLQSZQF-UEXGIBASSA-N 2 1 367.541 3.193 20 0 FGADMP CCc1ccc(CN2CCN(C(=O)[C@@H](C)[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)s1 ZINC000606535118 507437082 /nfs/dbraw/zinc/43/70/82/507437082.db2.gz BHVQQHMHTNXGOM-IXDOHACOSA-N 2 1 363.571 3.216 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000595636291 507607909 /nfs/dbraw/zinc/60/79/09/507607909.db2.gz IPGRLGSSFORSGF-HXUWFJFHSA-N 2 1 360.546 3.202 20 0 FGADMP Fc1cccc(F)c1C[N@@H+]1CCC[C@@H](Nc2cc(-n3ccnc3)ncn2)C1 ZINC000607145640 507630038 /nfs/dbraw/zinc/63/00/38/507630038.db2.gz NFANYWDXNFDWPD-CQSZACIVSA-N 2 1 370.407 3.017 20 0 FGADMP Fc1cccc(F)c1C[N@H+]1CCC[C@@H](Nc2cc(-n3ccnc3)ncn2)C1 ZINC000607145640 507630041 /nfs/dbraw/zinc/63/00/41/507630041.db2.gz NFANYWDXNFDWPD-CQSZACIVSA-N 2 1 370.407 3.017 20 0 FGADMP C[N@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614779778 507651515 /nfs/dbraw/zinc/65/15/15/507651515.db2.gz LQHYIQPRCWSNOT-CQSZACIVSA-N 2 1 369.387 3.355 20 0 FGADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614779778 507651521 /nfs/dbraw/zinc/65/15/21/507651521.db2.gz LQHYIQPRCWSNOT-CQSZACIVSA-N 2 1 369.387 3.355 20 0 FGADMP CC(C)(C)OC(=O)c1cccc(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000611518009 507718455 /nfs/dbraw/zinc/71/84/55/507718455.db2.gz KFVSSDAWUOGGFS-UHFFFAOYSA-N 2 1 353.466 3.359 20 0 FGADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(CC(F)(F)F)cc3)C2)CC1 ZINC000602485135 507722515 /nfs/dbraw/zinc/72/25/15/507722515.db2.gz QVPAILWSTUMEIU-LJQANCHMSA-N 2 1 369.475 3.392 20 0 FGADMP CCOC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)on1 ZINC000602511630 507731746 /nfs/dbraw/zinc/73/17/46/507731746.db2.gz JBIURFFHLALGGE-UHFFFAOYSA-N 2 1 357.454 3.127 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccc(C[N@H+]3CCCC[C@H]3C)cc2)CC[C@H]1[NH3+] ZINC000669117726 568032055 /nfs/dbraw/zinc/03/20/55/568032055.db2.gz AEYIMSTZVIGQTE-DUXKGJEZSA-N 2 1 372.557 3.330 20 0 FGADMP CCC1(CNC(=O)Cn2c[nH+]cc2C)CC[NH+](Cc2ccccc2)CC1 ZINC000626257553 568050370 /nfs/dbraw/zinc/05/03/70/568050370.db2.gz IKTXFDYZICTTIK-UHFFFAOYSA-N 2 1 354.498 3.000 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123979 568082465 /nfs/dbraw/zinc/08/24/65/568082465.db2.gz LDCPSUMZFIXVCN-NNWRFLSQSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123979 568082466 /nfs/dbraw/zinc/08/24/66/568082466.db2.gz LDCPSUMZFIXVCN-NNWRFLSQSA-N 2 1 371.569 3.130 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[C@@H](C)C1 ZINC000669123979 568082467 /nfs/dbraw/zinc/08/24/67/568082467.db2.gz LDCPSUMZFIXVCN-NNWRFLSQSA-N 2 1 371.569 3.130 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=S)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000044133034 695803290 /nfs/dbraw/zinc/80/32/90/695803290.db2.gz GIVRLNFZFLZVIP-LJQANCHMSA-N 2 1 360.571 3.443 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)s1 ZINC000090402396 700402735 /nfs/dbraw/zinc/40/27/35/700402735.db2.gz NOTJBOFJVSZYIL-QFBILLFUSA-N 2 1 358.555 3.481 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000156315547 705110989 /nfs/dbraw/zinc/11/09/89/705110989.db2.gz ADUZYUKGRXMJMN-DLBZAZTESA-N 2 1 350.507 3.255 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157232209 705149066 /nfs/dbraw/zinc/14/90/66/705149066.db2.gz AHOHCCHNUJAWBC-ZWKOTPCHSA-N 2 1 352.906 3.030 20 0 FGADMP O[C@@H](COc1ccc(Cl)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157232209 705149070 /nfs/dbraw/zinc/14/90/70/705149070.db2.gz AHOHCCHNUJAWBC-ZWKOTPCHSA-N 2 1 352.906 3.030 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000177220550 705613559 /nfs/dbraw/zinc/61/35/59/705613559.db2.gz GPVAQKNOJLUDPF-QGZVFWFLSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000182541380 705849294 /nfs/dbraw/zinc/84/92/94/705849294.db2.gz VKWQSULGWNEMGD-RYRKJORJSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc(Cl)c(Cl)cc1O ZINC000192931254 712877939 /nfs/dbraw/zinc/87/79/39/712877939.db2.gz KEBZVWUWUQQQSQ-GFCCVEGCSA-N 2 1 360.329 3.376 20 0 FGADMP C[N@H+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CCCC1 ZINC000237148576 713588827 /nfs/dbraw/zinc/58/88/27/713588827.db2.gz LULQTBAXBVGINM-ZNXRZULTSA-N 2 1 351.535 3.381 20 0 FGADMP C[N@@H+](CC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)C1CCCC1 ZINC000237148576 713588829 /nfs/dbraw/zinc/58/88/29/713588829.db2.gz LULQTBAXBVGINM-ZNXRZULTSA-N 2 1 351.535 3.381 20 0 FGADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993968 713645190 /nfs/dbraw/zinc/64/51/90/713645190.db2.gz JTHSWZXYSMUMPX-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)CC[C@@H]21 ZINC000247993968 713645192 /nfs/dbraw/zinc/64/51/92/713645192.db2.gz JTHSWZXYSMUMPX-KSZLIROESA-N 2 1 351.535 3.050 20 0 FGADMP CC(C)(C)[S@](=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248399525 713648979 /nfs/dbraw/zinc/64/89/79/713648979.db2.gz JZVYTMNWGDVJLK-KYCQWFEFSA-N 2 1 362.583 3.424 20 0 FGADMP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248436317 713649939 /nfs/dbraw/zinc/64/99/39/713649939.db2.gz GEHJFWCBNPPORL-ULQDDVLXSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@@H+]1C ZINC000302095065 713782697 /nfs/dbraw/zinc/78/26/97/713782697.db2.gz QHWNCWWECIDDBX-BRWVUGGUSA-N 2 1 351.535 3.381 20 0 FGADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C3(CCC3)C2)CC[N@H+]1C ZINC000302095065 713782699 /nfs/dbraw/zinc/78/26/99/713782699.db2.gz QHWNCWWECIDDBX-BRWVUGGUSA-N 2 1 351.535 3.381 20 0 FGADMP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C(C)(C)C1 ZINC000302424669 713783366 /nfs/dbraw/zinc/78/33/66/713783366.db2.gz ZPCZICOMZXLMPI-QGZVFWFLSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374309055 713912433 /nfs/dbraw/zinc/91/24/33/713912433.db2.gz HZEASHHQVXRWLF-HNAYVOBHSA-N 2 1 358.917 3.350 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1)CC(C)C ZINC000418567772 714010213 /nfs/dbraw/zinc/01/02/13/714010213.db2.gz BFGHQIYPLCRWIQ-MOPGFXCFSA-N 2 1 352.567 3.046 20 0 FGADMP C[NH2+]CCN(C)c1nc(C[NH+](C)C)nc2scc(-c3ccccc3)c21 ZINC000420225574 714011062 /nfs/dbraw/zinc/01/10/62/714011062.db2.gz JMKNHUAGAYJDAD-UHFFFAOYSA-N 2 1 355.511 3.076 20 0 FGADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCSc3c(Cl)cccc32)CC1(C)C ZINC000442878679 714030877 /nfs/dbraw/zinc/03/08/77/714030877.db2.gz UJRLIUXJQFFYMM-MRXNPFEDSA-N 2 1 353.963 3.493 20 0 FGADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2)C1=O)C(C)(C)C ZINC000523518757 714238460 /nfs/dbraw/zinc/23/84/60/714238460.db2.gz QGLCGKWYPDYAIB-DLBZAZTESA-N 2 1 351.922 3.401 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000615751410 714548376 /nfs/dbraw/zinc/54/83/76/714548376.db2.gz DAVCPSRVISCEQZ-UHFFFAOYSA-N 2 1 352.567 3.011 20 0 FGADMP CC(C)[NH+](CCNC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C)C(C)C ZINC000642619231 717984539 /nfs/dbraw/zinc/98/45/39/717984539.db2.gz MHTBRIVXXVRCQP-SFHVURJKSA-N 2 1 368.953 3.361 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(Cl)cc2)N2CCOCC2)CC1(C)C ZINC000623384104 715323346 /nfs/dbraw/zinc/32/33/46/715323346.db2.gz OUWHEOIWXURNBC-RBUKOAKNSA-N 2 1 365.949 3.176 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC[C@H]1CCCC[NH+](C)C1)C1CCCCC1 ZINC000624294519 715506141 /nfs/dbraw/zinc/50/61/41/715506141.db2.gz CXZARMWQMMAXSW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@H]1CCCC[N@H+](C)C1)C1CCCCC1 ZINC000624294519 715506144 /nfs/dbraw/zinc/50/61/44/715506144.db2.gz CXZARMWQMMAXSW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)C1CCCCC1 ZINC000624294519 715506149 /nfs/dbraw/zinc/50/61/49/715506149.db2.gz CXZARMWQMMAXSW-GOSISDBHSA-N 2 1 352.567 3.062 20 0 FGADMP CC[N@@H+](CCCNC(=O)NC[C@@H]1CCCC[NH+](C)C1)C1CCCCC1 ZINC000624294520 715506290 /nfs/dbraw/zinc/50/62/90/715506290.db2.gz CXZARMWQMMAXSW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)C1CCCCC1 ZINC000624294520 715506295 /nfs/dbraw/zinc/50/62/95/715506295.db2.gz CXZARMWQMMAXSW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+](CCCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C1CCCCC1 ZINC000624294520 715506297 /nfs/dbraw/zinc/50/62/97/715506297.db2.gz CXZARMWQMMAXSW-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP C[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000626597666 715934415 /nfs/dbraw/zinc/93/44/15/715934415.db2.gz DHTCXHIFFTVCIG-KRWDZBQOSA-N 2 1 362.543 3.090 20 0 FGADMP Cc1c[nH+]cn1CC(=O)Nc1nc2ccc(C[N@@H+](C)C3CC3)cc2s1 ZINC000628065316 716105027 /nfs/dbraw/zinc/10/50/27/716105027.db2.gz WOSTVWPTGDRJKZ-UHFFFAOYSA-N 2 1 355.467 3.034 20 0 FGADMP Cc1c[nH+]cn1CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000628065316 716105032 /nfs/dbraw/zinc/10/50/32/716105032.db2.gz WOSTVWPTGDRJKZ-UHFFFAOYSA-N 2 1 355.467 3.034 20 0 FGADMP C[N@@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756969 716180007 /nfs/dbraw/zinc/18/00/07/716180007.db2.gz YWPFJPBVFKENRY-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2Cc2ccc(Cl)cc2)C1 ZINC000628756969 716180010 /nfs/dbraw/zinc/18/00/10/716180010.db2.gz YWPFJPBVFKENRY-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756969 716180013 /nfs/dbraw/zinc/18/00/13/716180013.db2.gz YWPFJPBVFKENRY-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP C[NH+]1CCCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)C1 ZINC000628756969 716180016 /nfs/dbraw/zinc/18/00/16/716180016.db2.gz YWPFJPBVFKENRY-MJGOQNOKSA-N 2 1 363.933 3.153 20 0 FGADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Br)cc32)CCOCC1 ZINC000629520812 716302858 /nfs/dbraw/zinc/30/28/58/716302858.db2.gz IMXBYYSWJVWCHK-CYBMUJFWSA-N 2 1 357.317 3.084 20 0 FGADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c2ccccc21 ZINC000629522499 716302898 /nfs/dbraw/zinc/30/28/98/716302898.db2.gz BGWJXXKHSHHNBQ-PWIZWCRZSA-N 2 1 357.885 3.280 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H]2CN(c3ccc(Cl)cc3)CCO2)c2ccccc21 ZINC000629522497 716303040 /nfs/dbraw/zinc/30/30/40/716303040.db2.gz BGWJXXKHSHHNBQ-DBVUQKKJSA-N 2 1 357.885 3.280 20 0 FGADMP Fc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000629591827 716315185 /nfs/dbraw/zinc/31/51/85/716315185.db2.gz PCWHXIHBXPLYCG-OAHLLOKOSA-N 2 1 358.404 3.018 20 0 FGADMP COc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(Cl)cc1O ZINC000638125788 717410347 /nfs/dbraw/zinc/41/03/47/717410347.db2.gz MMQDNXSSJNPFGA-UHFFFAOYSA-N 2 1 368.905 3.131 20 0 FGADMP CC(C)[N@@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295162 718276087 /nfs/dbraw/zinc/27/60/87/718276087.db2.gz ZHDRWDUPOTXNAM-SJLPKXTDSA-N 2 1 367.896 3.391 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](NC(=O)CC2([NH3+])CCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000646295162 718276090 /nfs/dbraw/zinc/27/60/90/718276090.db2.gz ZHDRWDUPOTXNAM-SJLPKXTDSA-N 2 1 367.896 3.391 20 0 FGADMP CC[C@H]1C[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC[C@@H]1[NH3+] ZINC000647497699 718364180 /nfs/dbraw/zinc/36/41/80/718364180.db2.gz RQFFLCWODHMLSM-HOCLYGCPSA-N 2 1 352.404 3.450 20 0 FGADMP Clc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(-n2cncn2)c1 ZINC000647543629 718366553 /nfs/dbraw/zinc/36/65/53/718366553.db2.gz QMVCOPMOEIDWRD-CVEARBPZSA-N 2 1 359.905 3.132 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2Br)CC1 ZINC000647544967 718366903 /nfs/dbraw/zinc/36/69/03/718366903.db2.gz SMYVCXULMBQZRQ-CVEARBPZSA-N 2 1 373.722 3.431 20 0 FGADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1cccc(Br)c1 ZINC000647545460 718366946 /nfs/dbraw/zinc/36/69/46/718366946.db2.gz OZLQOMUNMJKXLP-GOEBONIOSA-N 2 1 367.331 3.240 20 0 FGADMP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000648071696 718397648 /nfs/dbraw/zinc/39/76/48/718397648.db2.gz PBKOUAMLEUPIAR-OAHLLOKOSA-N 2 1 367.331 3.349 20 0 FGADMP C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cccc(Br)c1 ZINC000648071696 718397650 /nfs/dbraw/zinc/39/76/50/718397650.db2.gz PBKOUAMLEUPIAR-OAHLLOKOSA-N 2 1 367.331 3.349 20 0 FGADMP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161108 718402276 /nfs/dbraw/zinc/40/22/76/718402276.db2.gz XVIXTWCRAZPUSG-WMZOPIPTSA-N 2 1 353.457 3.122 20 0 FGADMP CC(C)[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000648161108 718402277 /nfs/dbraw/zinc/40/22/77/718402277.db2.gz XVIXTWCRAZPUSG-WMZOPIPTSA-N 2 1 353.457 3.122 20 0 FGADMP COC[C@@H]1CCC[NH+]1Cc1cc(C[N@@H+]2CCC[C@H]2COC)ccc1F ZINC000649339095 718505461 /nfs/dbraw/zinc/50/54/61/718505461.db2.gz MGZRYMHAAMENOV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@@H]1CCC[NH+]1Cc1ccc(F)c(C[N@@H+]2CCC[C@H]2COC)c1 ZINC000649339095 718505469 /nfs/dbraw/zinc/50/54/69/718505469.db2.gz MGZRYMHAAMENOV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP COC[C@@H]1CCC[NH+]1Cc1ccc(F)c(C[N@H+]2CCC[C@H]2COC)c1 ZINC000649339095 718505472 /nfs/dbraw/zinc/50/54/72/718505472.db2.gz MGZRYMHAAMENOV-OALUTQOASA-N 2 1 350.478 3.047 20 0 FGADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1 ZINC000650708119 718717512 /nfs/dbraw/zinc/71/75/12/718717512.db2.gz TYGVBLVOWZSIQB-JZXOWHBKSA-N 2 1 367.331 3.476 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722882 718720631 /nfs/dbraw/zinc/72/06/31/718720631.db2.gz CUGXTVYAIBLHKK-XOKHGSTOSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(Br)c(F)c2)C1 ZINC000650722882 718720633 /nfs/dbraw/zinc/72/06/33/718720633.db2.gz CUGXTVYAIBLHKK-XOKHGSTOSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723575 718720799 /nfs/dbraw/zinc/72/07/99/718720799.db2.gz QILCCFNDASMKJK-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2Br)C1 ZINC000650723575 718720802 /nfs/dbraw/zinc/72/08/02/718720802.db2.gz QILCCFNDASMKJK-DJIMGWMZSA-N 2 1 371.294 3.449 20 0 FGADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723447 718720814 /nfs/dbraw/zinc/72/08/14/718720814.db2.gz NTUWPZYEXQMGPI-BMGDILEWSA-N 2 1 362.905 3.088 20 0 FGADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(Cl)c(F)c2)C1 ZINC000652363925 718937298 /nfs/dbraw/zinc/93/72/98/718937298.db2.gz SISDMMOWIGOMPT-BVGQSLNGSA-N 2 1 356.869 3.219 20 0 FGADMP Cc1sc2nc(C[NH+]3CCCCC3)nc(N3CCC[C@H]4[NH2+]C[C@@H]43)c2c1C ZINC001164450403 719000575 /nfs/dbraw/zinc/00/05/75/719000575.db2.gz VQSFKBIFIFCBES-CVEARBPZSA-N 2 1 371.554 3.235 20 0 FGADMP O=C(NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653110018 719013598 /nfs/dbraw/zinc/01/35/98/719013598.db2.gz VCVXMOSBRXSJMC-GBESFXJTSA-N 2 1 361.917 3.124 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000653654574 719071587 /nfs/dbraw/zinc/07/15/87/719071587.db2.gz XQFPMEOLQSTYHR-OAHLLOKOSA-N 2 1 361.795 3.348 20 0 FGADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CO)c1ccc(Cl)cc1C(F)(F)F ZINC000653654573 719071621 /nfs/dbraw/zinc/07/16/21/719071621.db2.gz XQFPMEOLQSTYHR-HNNXBMFYSA-N 2 1 361.795 3.348 20 0 FGADMP CC(C)(C)c1csc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655713361 719328408 /nfs/dbraw/zinc/32/84/08/719328408.db2.gz ZJNHWCRSHSGIBG-INIZCTEOSA-N 2 1 351.560 3.216 20 0 FGADMP CC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1ccccc1Cl ZINC000655718435 719329233 /nfs/dbraw/zinc/32/92/33/719329233.db2.gz JKRPIFULUJQNSD-IAGOWNOFSA-N 2 1 352.906 3.340 20 0 FGADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Cl)cc1 ZINC000655719740 719329457 /nfs/dbraw/zinc/32/94/57/719329457.db2.gz LHBZOWIVUNNUMZ-RTBURBONSA-N 2 1 352.906 3.261 20 0 FGADMP Clc1cccc(N2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)C2)c1 ZINC000655721924 719329839 /nfs/dbraw/zinc/32/98/39/719329839.db2.gz TYAFLLNKYMVZQH-QUCCMNQESA-N 2 1 363.933 3.152 20 0 FGADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Cl)c1 ZINC000655731939 719331268 /nfs/dbraw/zinc/33/12/68/719331268.db2.gz WNDJBIHJUGZDKI-RBUKOAKNSA-N 2 1 352.906 3.261 20 0 FGADMP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738038 719332594 /nfs/dbraw/zinc/33/25/94/719332594.db2.gz HJELCZGHDUXBBV-VPWXQRGCSA-N 2 1 350.478 3.135 20 0 FGADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000656709135 719447531 /nfs/dbraw/zinc/44/75/31/719447531.db2.gz NFXUNTMIQAMKCK-QGZVFWFLSA-N 2 1 369.347 3.063 20 0 FGADMP Cc1ncsc1-c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000657457967 719654629 /nfs/dbraw/zinc/65/46/29/719654629.db2.gz GUIADLLJWZZVBD-UHFFFAOYSA-N 2 1 358.555 3.234 20 0 FGADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CCOC)CC1 ZINC000657850233 719720914 /nfs/dbraw/zinc/72/09/14/719720914.db2.gz RQZDQJBKAQYYSB-KRWDZBQOSA-N 2 1 369.347 3.471 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652265 720090449 /nfs/dbraw/zinc/09/04/49/720090449.db2.gz HYAXMFDIEYRSQW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652265 720090457 /nfs/dbraw/zinc/09/04/57/720090457.db2.gz HYAXMFDIEYRSQW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652265 720090464 /nfs/dbraw/zinc/09/04/64/720090464.db2.gz HYAXMFDIEYRSQW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)C2 ZINC000660652265 720090472 /nfs/dbraw/zinc/09/04/72/720090472.db2.gz HYAXMFDIEYRSQW-RDTXWAMCSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655643 720091498 /nfs/dbraw/zinc/09/14/98/720091498.db2.gz OMWJFXJMTJTDLJ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655643 720091504 /nfs/dbraw/zinc/09/15/04/720091504.db2.gz OMWJFXJMTJTDLJ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655643 720091515 /nfs/dbraw/zinc/09/15/15/720091515.db2.gz OMWJFXJMTJTDLJ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)C2 ZINC000660655643 720091519 /nfs/dbraw/zinc/09/15/19/720091519.db2.gz OMWJFXJMTJTDLJ-CRAIPNDOSA-N 2 1 373.324 3.151 20 0 FGADMP COc1ccc(Cl)cc1C[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258318 720405924 /nfs/dbraw/zinc/40/59/24/720405924.db2.gz ZKCKSCSGPDMKMN-QAPCUYQASA-N 2 1 364.917 3.124 20 0 FGADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272044 720407893 /nfs/dbraw/zinc/40/78/93/720407893.db2.gz BYRYEEAUOXPTEB-KGLIPLIRSA-N 2 1 368.319 3.064 20 0 FGADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662272044 720407898 /nfs/dbraw/zinc/40/78/98/720407898.db2.gz BYRYEEAUOXPTEB-KGLIPLIRSA-N 2 1 368.319 3.064 20 0 FGADMP CC[NH+]1CCC(CNC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662408579 720425809 /nfs/dbraw/zinc/42/58/09/720425809.db2.gz XUCPTYQTHNZPRO-MRXNPFEDSA-N 2 1 358.313 3.102 20 0 FGADMP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483616 720433571 /nfs/dbraw/zinc/43/35/71/720433571.db2.gz XGNSIXSRMRPHFU-BLLLJJGKSA-N 2 1 358.313 3.054 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)C1 ZINC000662483616 720433573 /nfs/dbraw/zinc/43/35/73/720433573.db2.gz XGNSIXSRMRPHFU-BLLLJJGKSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498555 720435462 /nfs/dbraw/zinc/43/54/62/720435462.db2.gz QHFJZIRLNSOASC-SUMWQHHRSA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)c1cccc(Cl)c1Cl ZINC000662498555 720435466 /nfs/dbraw/zinc/43/54/66/720435466.db2.gz QHFJZIRLNSOASC-SUMWQHHRSA-N 2 1 372.340 3.348 20 0 FGADMP C[NH2+][C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684731 720452396 /nfs/dbraw/zinc/45/23/96/720452396.db2.gz HPWKYTWQLKRWIZ-BLLLJJGKSA-N 2 1 358.313 3.054 20 0 FGADMP C[NH2+][C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1)c1cccc(Cl)c1Cl ZINC000662684731 720452397 /nfs/dbraw/zinc/45/23/97/720452397.db2.gz HPWKYTWQLKRWIZ-BLLLJJGKSA-N 2 1 358.313 3.054 20 0 FGADMP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(Br)ccc23)CC1 ZINC000663385778 720508662 /nfs/dbraw/zinc/50/86/62/720508662.db2.gz MAHQWFGSFSUPGT-UHFFFAOYSA-N 2 1 363.303 3.047 20 0 FGADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474776 720518253 /nfs/dbraw/zinc/51/82/53/720518253.db2.gz QKHJTXVIGGEBIP-RHSMWYFYSA-N 2 1 359.436 3.327 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474776 720518255 /nfs/dbraw/zinc/51/82/55/720518255.db2.gz QKHJTXVIGGEBIP-RHSMWYFYSA-N 2 1 359.436 3.327 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1c(F)cccc1Cl ZINC000664309084 720622941 /nfs/dbraw/zinc/62/29/41/720622941.db2.gz XQEDDZPQOZMGDV-UONOGXRCSA-N 2 1 372.916 3.111 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1c(F)cccc1Cl ZINC000664309084 720622945 /nfs/dbraw/zinc/62/29/45/720622945.db2.gz XQEDDZPQOZMGDV-UONOGXRCSA-N 2 1 372.916 3.111 20 0 FGADMP CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665637522 720793779 /nfs/dbraw/zinc/79/37/79/720793779.db2.gz GDEXCMRYMXZGPL-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665637522 720793781 /nfs/dbraw/zinc/79/37/81/720793781.db2.gz GDEXCMRYMXZGPL-INIZCTEOSA-N 2 1 368.953 3.144 20 0 FGADMP CCOc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665639193 720794374 /nfs/dbraw/zinc/79/43/74/720794374.db2.gz PHBUKWNRYVWFSG-AWEZNQCLSA-N 2 1 370.925 3.132 20 0 FGADMP CCOc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665639193 720794375 /nfs/dbraw/zinc/79/43/75/720794375.db2.gz PHBUKWNRYVWFSG-AWEZNQCLSA-N 2 1 370.925 3.132 20 0 FGADMP C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1cccs1 ZINC000667727799 721165122 /nfs/dbraw/zinc/16/51/22/721165122.db2.gz JVKJDMVICURSEZ-YJBOKZPZSA-N 2 1 358.511 3.411 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000668169269 721249634 /nfs/dbraw/zinc/24/96/34/721249634.db2.gz MDOYLMIGKCNGAQ-CYBMUJFWSA-N 2 1 356.283 3.147 20 0 FGADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)CC1 ZINC000668169269 721249639 /nfs/dbraw/zinc/24/96/39/721249639.db2.gz MDOYLMIGKCNGAQ-CYBMUJFWSA-N 2 1 356.283 3.147 20 0 FGADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164787642 721447766 /nfs/dbraw/zinc/44/77/66/721447766.db2.gz OYRYJMXAVLUNKX-FQEVSTJZSA-N 2 1 373.541 3.124 20 0 FGADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(C)cc[nH+]1)CC2 ZINC001164787642 721447769 /nfs/dbraw/zinc/44/77/69/721447769.db2.gz OYRYJMXAVLUNKX-FQEVSTJZSA-N 2 1 373.541 3.124 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669556547 721465786 /nfs/dbraw/zinc/46/57/86/721465786.db2.gz ZIFXARZHNUHNTR-IUIKQTSFSA-N 2 1 370.900 3.039 20 0 FGADMP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000669556547 721465787 /nfs/dbraw/zinc/46/57/87/721465787.db2.gz ZIFXARZHNUHNTR-IUIKQTSFSA-N 2 1 370.900 3.039 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc(Br)cc1)[C@@H]1CCCO1 ZINC000679338779 722024027 /nfs/dbraw/zinc/02/40/27/722024027.db2.gz ZRCGYMMWBUMYLP-IRXDYDNUSA-N 2 1 364.287 3.464 20 0 FGADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2C[C@H]3C[C@@H](C2)N(C(=O)OC(C)(C)C)C3)C1 ZINC000707908313 722412408 /nfs/dbraw/zinc/41/24/08/722412408.db2.gz QJNMMPWADTVEHI-XSLAGTTESA-N 2 1 351.535 3.094 20 0 FGADMP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000727079870 722441039 /nfs/dbraw/zinc/44/10/39/722441039.db2.gz VRGHCSIJRWOCNV-UHFFFAOYSA-N 2 1 368.635 3.037 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC000727467389 722444815 /nfs/dbraw/zinc/44/48/15/722444815.db2.gz VTROGIRPHLEBDP-KSZLIROESA-N 2 1 353.551 3.344 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCCCCCCC[NH+]2CCCC2)CC[N@H+]1C ZINC000747957638 722669432 /nfs/dbraw/zinc/66/94/32/722669432.db2.gz VGWPHJBLHZCTKO-OALUTQOASA-N 2 1 352.567 3.157 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345400 722725356 /nfs/dbraw/zinc/72/53/56/722725356.db2.gz AJJZYRNJYSZGIJ-JSJNYSNDSA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345400 722725358 /nfs/dbraw/zinc/72/53/58/722725358.db2.gz AJJZYRNJYSZGIJ-JSJNYSNDSA-N 2 1 368.949 3.441 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CO[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000749345400 722725360 /nfs/dbraw/zinc/72/53/60/722725360.db2.gz AJJZYRNJYSZGIJ-JSJNYSNDSA-N 2 1 368.949 3.441 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Cl)s1 ZINC000750734337 722779486 /nfs/dbraw/zinc/77/94/86/722779486.db2.gz DFILWRDOJJHKHP-WKTRQSJXSA-N 2 1 369.962 3.289 20 0 FGADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=O)C[C@H]3c3ccc(Cl)cc3)C2)CC1 ZINC000755781343 722956877 /nfs/dbraw/zinc/95/68/77/722956877.db2.gz VCRDEKFEDFVMJT-HKUYNNGSSA-N 2 1 361.917 3.235 20 0 FGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000761201459 723132752 /nfs/dbraw/zinc/13/27/52/723132752.db2.gz AIFPRBPLHLKPMT-NVXWUHKLSA-N 2 1 351.535 3.238 20 0 FGADMP CC(C)(C)OC(=O)NC(C)(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000761201457 723132824 /nfs/dbraw/zinc/13/28/24/723132824.db2.gz AIFPRBPLHLKPMT-DOTOQJQBSA-N 2 1 351.535 3.238 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@@H](C)C1 ZINC000765806413 723542053 /nfs/dbraw/zinc/54/20/53/723542053.db2.gz CCFKJKYEGPYQBS-VDGAXYAQSA-N 2 1 368.949 3.274 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000765817702 723542739 /nfs/dbraw/zinc/54/27/39/723542739.db2.gz PQLOFULBBCGVQP-LSTHTHJFSA-N 2 1 368.949 3.274 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NCCCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000766251773 723564520 /nfs/dbraw/zinc/56/45/20/723564520.db2.gz FIEUNJIRSBNXLV-RBUKOAKNSA-N 2 1 352.567 3.157 20 0 FGADMP C[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(Br)c1 ZINC000767353720 723615908 /nfs/dbraw/zinc/61/59/08/723615908.db2.gz YIHFVPCHUAUCAI-INIZCTEOSA-N 2 1 368.363 3.170 20 0 FGADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)s1 ZINC000796311251 723632153 /nfs/dbraw/zinc/63/21/53/723632153.db2.gz WPITUOVNZVXNIW-UHFFFAOYSA-N 2 1 368.547 3.130 20 0 FGADMP CC(C)COC(=O)N1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000796678583 723649925 /nfs/dbraw/zinc/64/99/25/723649925.db2.gz JDRIUEAAXAZOTM-UHFFFAOYSA-N 2 1 353.551 3.488 20 0 FGADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Oc1ccc(Br)cc1 ZINC000774200058 723868339 /nfs/dbraw/zinc/86/83/39/723868339.db2.gz FGBNGBJGIWGQCP-OHRKKDJYSA-N 2 1 353.304 3.431 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775590695 724004366 /nfs/dbraw/zinc/00/43/66/724004366.db2.gz OICFRLMLZHXCLU-QGZVFWFLSA-N 2 1 373.310 3.426 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc(F)c(Br)c2)CC1 ZINC000775590695 724004371 /nfs/dbraw/zinc/00/43/71/724004371.db2.gz OICFRLMLZHXCLU-QGZVFWFLSA-N 2 1 373.310 3.426 20 0 FGADMP CN(C)c1ncnc(Cl)c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000801523803 724310024 /nfs/dbraw/zinc/31/00/24/724310024.db2.gz GXKNSGRIGPIVFW-UHFFFAOYSA-N 2 1 365.953 3.284 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc(C3OCCO3)s2)C1 ZINC000809606288 725251591 /nfs/dbraw/zinc/25/15/91/725251591.db2.gz OUFWAZOURAGZHO-GASCZTMLSA-N 2 1 353.532 3.036 20 0 FGADMP CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000810195772 725296157 /nfs/dbraw/zinc/29/61/57/725296157.db2.gz DQPJJBSOUDFBCT-FQEVSTJZSA-N 2 1 355.542 3.361 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000813326787 726861646 /nfs/dbraw/zinc/86/16/46/726861646.db2.gz XPCMZXVZOUZEKH-NVXWUHKLSA-N 2 1 350.507 3.207 20 0 FGADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCn2ccnc2)C[C@@H]1CNC(=O)OC(C)(C)C ZINC000817294186 727237357 /nfs/dbraw/zinc/23/73/57/727237357.db2.gz VGPXPWFADPRBFY-ZACQAIPSSA-N 2 1 350.507 3.144 20 0 FGADMP O[C@](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)(c1ccccc1)C(F)(F)F ZINC000817892343 727287260 /nfs/dbraw/zinc/28/72/60/727287260.db2.gz SZVBWSKKLNHOLG-BRSBDYLESA-N 2 1 356.432 3.337 20 0 FGADMP C[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817985866 727290634 /nfs/dbraw/zinc/29/06/34/727290634.db2.gz NRCWWLCZJGKAHB-JSGCOSHPSA-N 2 1 358.454 3.008 20 0 FGADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@](C)(O)c2ccc(Br)cc2F)C1 ZINC000818981490 727334100 /nfs/dbraw/zinc/33/41/00/727334100.db2.gz VGXYKJGWYRNLLB-SUMWQHHRSA-N 2 1 373.310 3.117 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc(Br)cc2)C1 ZINC000818985782 727334756 /nfs/dbraw/zinc/33/47/56/727334756.db2.gz VYEOARFCKIYSJR-PBHICJAKSA-N 2 1 355.320 3.193 20 0 FGADMP C[C@@H]([NH2+]C[C@](C)(O)c1ccc(Br)cc1F)C1=CC[N@@H+](C)CC1 ZINC000819220381 727359316 /nfs/dbraw/zinc/35/93/16/727359316.db2.gz NKUYDHSQIXIJQN-PXAZEXFGSA-N 2 1 371.294 3.036 20 0 FGADMP CCO[C@H](C)c1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cs1 ZINC000871786353 735545980 /nfs/dbraw/zinc/54/59/80/735545980.db2.gz ZFWKIRLXUBLGTF-IKKMQULASA-N 2 1 352.504 3.112 20 0 FGADMP CCO[C@H](C)c1nc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cs1 ZINC000871786353 735545986 /nfs/dbraw/zinc/54/59/86/735545986.db2.gz ZFWKIRLXUBLGTF-IKKMQULASA-N 2 1 352.504 3.112 20 0 FGADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)CCN1C(=O)OC(C)(C)C ZINC000823614227 729292595 /nfs/dbraw/zinc/29/25/95/729292595.db2.gz PCHNNMNDIPLLQS-CVEARBPZSA-N 2 1 351.535 3.238 20 0 FGADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395605 729336151 /nfs/dbraw/zinc/33/61/51/729336151.db2.gz HUSOKDIKSXYOPS-XDNAFOTISA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395605 729336153 /nfs/dbraw/zinc/33/61/53/729336153.db2.gz HUSOKDIKSXYOPS-XDNAFOTISA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395605 729336155 /nfs/dbraw/zinc/33/61/55/729336155.db2.gz HUSOKDIKSXYOPS-XDNAFOTISA-N 2 1 353.551 3.294 20 0 FGADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000824395605 729336157 /nfs/dbraw/zinc/33/61/57/729336157.db2.gz HUSOKDIKSXYOPS-XDNAFOTISA-N 2 1 353.551 3.294 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870593 729436255 /nfs/dbraw/zinc/43/62/55/729436255.db2.gz LCRYMUUBAQWKIW-LJQANCHMSA-N 2 1 351.535 3.192 20 0 FGADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2CN(C3CCCCC3)C(=O)O2)CC1 ZINC000827870592 729436285 /nfs/dbraw/zinc/43/62/85/729436285.db2.gz LCRYMUUBAQWKIW-IBGZPJMESA-N 2 1 351.535 3.192 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](O)c1ccccc1Br ZINC000832680613 729727201 /nfs/dbraw/zinc/72/72/01/729727201.db2.gz UDAOCGBXXIFOHN-KRWDZBQOSA-N 2 1 366.303 3.400 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](O)c1ccccc1Br ZINC000832680613 729727205 /nfs/dbraw/zinc/72/72/05/729727205.db2.gz UDAOCGBXXIFOHN-KRWDZBQOSA-N 2 1 366.303 3.400 20 0 FGADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000834895101 729844697 /nfs/dbraw/zinc/84/46/97/729844697.db2.gz YRKVBFWIFCJFOY-KKGYMGPXSA-N 2 1 351.535 3.379 20 0 FGADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1SC(F)F ZINC000843386777 730612641 /nfs/dbraw/zinc/61/26/41/730612641.db2.gz LZQUGJIYYQXMAJ-AWEZNQCLSA-N 2 1 369.481 3.261 20 0 FGADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(SC(F)F)cc1 ZINC000843388737 730612756 /nfs/dbraw/zinc/61/27/56/730612756.db2.gz WYPFNLXNCOIRFL-KBPBESRZSA-N 2 1 369.481 3.261 20 0 FGADMP Brc1ccsc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000883288240 737547587 /nfs/dbraw/zinc/54/75/87/737547587.db2.gz XDDGNQHMPIFVKJ-AWEZNQCLSA-N 2 1 373.360 3.286 20 0 FGADMP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000845923499 730909714 /nfs/dbraw/zinc/90/97/14/730909714.db2.gz RLXJZKIGRKCNMO-KNXWPPODSA-N 2 1 353.551 3.390 20 0 FGADMP C[C@H](C[NH2+]C1CC(CCNC(=O)OC(C)(C)C)C1)[N@H+]1CCC[C@H](C)C1 ZINC000845923499 730909718 /nfs/dbraw/zinc/90/97/18/730909718.db2.gz RLXJZKIGRKCNMO-KNXWPPODSA-N 2 1 353.551 3.390 20 0 FGADMP CCO[C@@H]1C[N@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000846225378 730937395 /nfs/dbraw/zinc/93/73/95/730937395.db2.gz AOZDMKXEYAGPPP-TZMCWYRMSA-N 2 1 364.433 3.103 20 0 FGADMP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)c(SC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000846225378 730937396 /nfs/dbraw/zinc/93/73/96/730937396.db2.gz AOZDMKXEYAGPPP-TZMCWYRMSA-N 2 1 364.433 3.103 20 0 FGADMP [NH3+]CCCCCC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000846218850 730937424 /nfs/dbraw/zinc/93/74/24/730937424.db2.gz YWWWMWSHQFJNSS-INIZCTEOSA-N 2 1 350.482 3.178 20 0 FGADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC2(CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000847016504 731007086 /nfs/dbraw/zinc/00/70/86/731007086.db2.gz ZBCTWMLCJONFSM-QGZVFWFLSA-N 2 1 351.535 3.194 20 0 FGADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1c(C)cc(Br)cc1C ZINC000849073299 731226075 /nfs/dbraw/zinc/22/60/75/731226075.db2.gz GHDKLIFSEWBXDM-HNNXBMFYSA-N 2 1 367.335 3.164 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849091183 731228048 /nfs/dbraw/zinc/22/80/48/731228048.db2.gz XWFWSIRVJVOPPS-HNNXBMFYSA-N 2 1 356.436 3.440 20 0 FGADMP CC[C@H]1C[C@H](C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)c(F)c2)CCO1 ZINC000849352271 731251801 /nfs/dbraw/zinc/25/18/01/731251801.db2.gz JWPNANARDLFLKF-NOCIGQNYSA-N 2 1 350.478 3.075 20 0 FGADMP CC(C)[C@@H](CC[NH2+]Cc1c[nH+]ccc1N(C)C)NC(=O)OC(C)(C)C ZINC000850404353 731353027 /nfs/dbraw/zinc/35/30/27/731353027.db2.gz IRVXHPYLPUSZCU-MRXNPFEDSA-N 2 1 350.507 3.177 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000850538677 731370757 /nfs/dbraw/zinc/37/07/57/731370757.db2.gz JWMIHOCYGABHHG-OWCLPIDISA-N 2 1 358.473 3.350 20 0 FGADMP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000850538677 731370761 /nfs/dbraw/zinc/37/07/61/731370761.db2.gz JWMIHOCYGABHHG-OWCLPIDISA-N 2 1 358.473 3.350 20 0 FGADMP Clc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)n1 ZINC000852762888 731631804 /nfs/dbraw/zinc/63/18/04/731631804.db2.gz ZDLNOZWDHIZJKP-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Clc1cccc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)n1 ZINC000852762888 731631812 /nfs/dbraw/zinc/63/18/12/731631812.db2.gz ZDLNOZWDHIZJKP-UHFFFAOYSA-N 2 1 359.905 3.305 20 0 FGADMP Cc1ncsc1C[NH+]1CC[C@H](Oc2ccnc(C[N@H+](C)C(C)C)c2)C1 ZINC000856559801 732038989 /nfs/dbraw/zinc/03/89/89/732038989.db2.gz JHXQYZPBCZXJJY-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncsc1C[N@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559801 732038997 /nfs/dbraw/zinc/03/89/97/732038997.db2.gz JHXQYZPBCZXJJY-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1ncsc1C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856559801 732039000 /nfs/dbraw/zinc/03/90/00/732039000.db2.gz JHXQYZPBCZXJJY-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856722417 732044881 /nfs/dbraw/zinc/04/48/81/732044881.db2.gz YHSNEDRSNSRLGA-UHFFFAOYSA-N 2 1 358.592 3.178 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CCS(=O)(=O)C2CCCCC2)CC1 ZINC000856722417 732044885 /nfs/dbraw/zinc/04/48/85/732044885.db2.gz YHSNEDRSNSRLGA-UHFFFAOYSA-N 2 1 358.592 3.178 20 0 FGADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(Br)cc1F ZINC000858126643 732183284 /nfs/dbraw/zinc/18/32/84/732183284.db2.gz FATWOZDRDUIQPR-UHFFFAOYSA-N 2 1 372.326 3.014 20 0 FGADMP Cc1ccccc1SC[C@H](C)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000859193234 732288187 /nfs/dbraw/zinc/28/81/87/732288187.db2.gz RZARSUCNDPAYPE-UYAOXDASSA-N 2 1 361.599 3.435 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215191 732290834 /nfs/dbraw/zinc/29/08/34/732290834.db2.gz XYYXHWYPPJJCDP-CQSZACIVSA-N 2 1 360.889 3.256 20 0 FGADMP C[C@H](C(=O)Nc1ccc(Cl)cn1)[N@@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859215191 732290838 /nfs/dbraw/zinc/29/08/38/732290838.db2.gz XYYXHWYPPJJCDP-CQSZACIVSA-N 2 1 360.889 3.256 20 0 FGADMP CC[N@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995377 732429757 /nfs/dbraw/zinc/42/97/57/732429757.db2.gz QXBZSGAKSTVDHI-UHFFFAOYSA-N 2 1 360.889 3.257 20 0 FGADMP CC[N@@H+](CC(=O)Nc1cccnc1Cl)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995377 732429759 /nfs/dbraw/zinc/42/97/59/732429759.db2.gz QXBZSGAKSTVDHI-UHFFFAOYSA-N 2 1 360.889 3.257 20 0 FGADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150376 735595826 /nfs/dbraw/zinc/59/58/26/735595826.db2.gz QKIZKVNVLUQVOG-AAEUAGOBSA-N 2 1 356.310 3.197 20 0 FGADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C(F)(F)F ZINC000872150376 735595827 /nfs/dbraw/zinc/59/58/27/735595827.db2.gz QKIZKVNVLUQVOG-AAEUAGOBSA-N 2 1 356.310 3.197 20 0 FGADMP Cc1cc(C[NH+]2CC[C@H](Oc3ccnc(C[N@H+](C)C(C)C)c3)C2)sn1 ZINC000877645581 736699408 /nfs/dbraw/zinc/69/94/08/736699408.db2.gz PFFLHVWFNUTTSZ-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cc(C[N@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)sn1 ZINC000877645581 736699412 /nfs/dbraw/zinc/69/94/12/736699412.db2.gz PFFLHVWFNUTTSZ-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP Cc1cc(C[N@@H+]2CC[C@H](Oc3ccnc(C[NH+](C)C(C)C)c3)C2)sn1 ZINC000877645581 736699418 /nfs/dbraw/zinc/69/94/18/736699418.db2.gz PFFLHVWFNUTTSZ-SFHVURJKSA-N 2 1 360.527 3.340 20 0 FGADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCOCC4)O3)C2)CC1 ZINC000878017776 736758747 /nfs/dbraw/zinc/75/87/47/736758747.db2.gz NPWXXNIZKUIKPT-VQTJNVASSA-N 2 1 350.547 3.159 20 0 FGADMP CCN(C)Cc1cc(O[C@@H]2CCN(Cc3scnc3Cl)C2)ccn1 ZINC000879019040 736946663 /nfs/dbraw/zinc/94/66/63/736946663.db2.gz MWEQHHINZRDDPH-OAHLLOKOSA-N 2 1 366.918 3.297 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)nc1C ZINC000879679976 737031015 /nfs/dbraw/zinc/03/10/15/737031015.db2.gz XUROYRVAHXKZPQ-MRXNPFEDSA-N 2 1 365.543 3.292 20 0 FGADMP CCOC(=O)c1sc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)nc1C ZINC000879679976 737031021 /nfs/dbraw/zinc/03/10/21/737031021.db2.gz XUROYRVAHXKZPQ-MRXNPFEDSA-N 2 1 365.543 3.292 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000883360024 737557781 /nfs/dbraw/zinc/55/77/81/737557781.db2.gz SGUIPXZJWHRPLV-SNPRPXQTSA-N 2 1 366.374 3.188 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(F)(F)C(F)(F)F)CC[N@H+]1Cc1ccccc1 ZINC000883360024 737557784 /nfs/dbraw/zinc/55/77/84/737557784.db2.gz SGUIPXZJWHRPLV-SNPRPXQTSA-N 2 1 366.374 3.188 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=S)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000884346843 737657484 /nfs/dbraw/zinc/65/74/84/737657484.db2.gz CFLVOKZWVGGLKJ-RBUKOAKNSA-N 2 1 362.587 3.018 20 0 FGADMP C[NH+](C)[C@]1(CN[C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536501 739265242 /nfs/dbraw/zinc/26/52/42/739265242.db2.gz IYGUISALVYFKRI-WOZUAGRISA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536501 739265251 /nfs/dbraw/zinc/26/52/51/739265251.db2.gz IYGUISALVYFKRI-WOZUAGRISA-N 2 1 359.583 3.066 20 0 FGADMP CN(C)[C@]1(C[NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@@H+](Cc2ccccc2)C3)CCSC1 ZINC000886536501 739265254 /nfs/dbraw/zinc/26/52/54/739265254.db2.gz IYGUISALVYFKRI-WOZUAGRISA-N 2 1 359.583 3.066 20 0 FGADMP Cc1[nH]c(C2CC[NH+](C[C@@H](O)COc3ccccc3Cl)CC2)[nH+]c1C ZINC000886670801 739281143 /nfs/dbraw/zinc/28/11/43/739281143.db2.gz WPEOICRSZXEWJT-MRXNPFEDSA-N 2 1 363.889 3.299 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000886774879 739296865 /nfs/dbraw/zinc/29/68/65/739296865.db2.gz XHMYVLDSNRUOSX-SLFFLAALSA-N 2 1 352.563 3.452 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)C2)CC1 ZINC000894232967 742256361 /nfs/dbraw/zinc/25/63/61/742256361.db2.gz NMGDHZTZFFUKBJ-CALCHBBNSA-N 2 1 351.535 3.098 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000895990699 742477955 /nfs/dbraw/zinc/47/79/55/742477955.db2.gz KYPVHTHWOVJVLY-GOSISDBHSA-N 2 1 361.555 3.355 20 0 FGADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000895990699 742477959 /nfs/dbraw/zinc/47/79/59/742477959.db2.gz KYPVHTHWOVJVLY-GOSISDBHSA-N 2 1 361.555 3.355 20 0 FGADMP CCc1nnc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000898517599 742804337 /nfs/dbraw/zinc/80/43/37/742804337.db2.gz RMICWAJGFGHJQX-FGTMMUONSA-N 2 1 356.539 3.491 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CC2)cs1 ZINC000902349212 743735279 /nfs/dbraw/zinc/73/52/79/743735279.db2.gz XMUWPQMAUNZZBE-QGZVFWFLSA-N 3 1 364.603 3.285 20 0 FGADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(C(F)(F)F)cn2)CC1 ZINC000902744673 743772239 /nfs/dbraw/zinc/77/22/39/743772239.db2.gz FCVCAGLUKBNEHM-HNNXBMFYSA-N 2 1 358.452 3.169 20 0 FGADMP C([NH2+][C@@H]1CCC[C@H](C2CCOCC2)C1)C1([NH+]2CCCC2)CCOCC1 ZINC000902792833 743775921 /nfs/dbraw/zinc/77/59/21/743775921.db2.gz DNUHWHXLAHZVEU-VQTJNVASSA-N 2 1 350.547 3.206 20 0 FGADMP FC(F)(F)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cn1 ZINC000903068751 743801466 /nfs/dbraw/zinc/80/14/66/743801466.db2.gz MDMPMCJATHXFCF-VHRNVKJDSA-N 2 1 355.404 3.270 20 0 FGADMP FC(F)(F)COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC2)cn1 ZINC000903068751 743801472 /nfs/dbraw/zinc/80/14/72/743801472.db2.gz MDMPMCJATHXFCF-VHRNVKJDSA-N 2 1 355.404 3.270 20 0 FGADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccccc1C(F)(F)F ZINC000903082328 743802965 /nfs/dbraw/zinc/80/29/65/743802965.db2.gz YQOWCEGSBKEYCY-SDJXIENJSA-N 2 1 354.416 3.486 20 0 FGADMP c1csc(-c2nc(CN3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)cs2)c1 ZINC000903508719 743857390 /nfs/dbraw/zinc/85/73/90/743857390.db2.gz SHJGUCQOGRHPJO-CALCHBBNSA-N 2 1 374.579 3.272 20 0 FGADMP FC(F)(F)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)s1 ZINC000903979984 743907937 /nfs/dbraw/zinc/90/79/37/743907937.db2.gz AXJVGPSCHGMGCU-OKILXGFUSA-N 2 1 359.461 3.168 20 0 FGADMP FC(F)(F)c1ccnc([C@@H]2CC[N@@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)n1 ZINC000904461520 743956703 /nfs/dbraw/zinc/95/67/03/743956703.db2.gz CLPWGTBJRUUGBU-LLVKDONJSA-N 2 1 368.428 3.192 20 0 FGADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CCCO1 ZINC000905230598 744004627 /nfs/dbraw/zinc/00/46/27/744004627.db2.gz GHUJHLMNGVXHTK-CXAGYDPISA-N 2 1 361.313 3.117 20 0 FGADMP Cc1cc(C[NH+]2CCC[C@H](N(C)C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)cs1 ZINC000948384867 762326893 /nfs/dbraw/zinc/32/68/93/762326893.db2.gz GPDSZNHFLAEUCT-NZSAHSFTSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cs1 ZINC000948384867 762326902 /nfs/dbraw/zinc/32/69/02/762326902.db2.gz GPDSZNHFLAEUCT-NZSAHSFTSA-N 2 1 363.571 3.210 20 0 FGADMP Cc1cc(C[N@@H+]2CCC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)cs1 ZINC000948384867 762326909 /nfs/dbraw/zinc/32/69/09/762326909.db2.gz GPDSZNHFLAEUCT-NZSAHSFTSA-N 2 1 363.571 3.210 20 0 FGADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)Nc2ccc(Cl)cc2)CC1 ZINC000919719274 758466371 /nfs/dbraw/zinc/46/63/71/758466371.db2.gz UYLJZIFFMKBUEU-UHFFFAOYSA-N 2 1 361.902 3.296 20 0 FGADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1csc(Br)c1)C2 ZINC000922386058 758909304 /nfs/dbraw/zinc/90/93/04/758909304.db2.gz DZKZXSQLQFMUKN-RRCSTGOVSA-N 2 1 373.360 3.080 20 0 FGADMP c1csc(C[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000923347553 759103772 /nfs/dbraw/zinc/10/37/72/759103772.db2.gz SCHFUCMXIWNOQV-HQSKLWIPSA-N 3 1 360.571 3.008 20 0 FGADMP c1csc(CN(CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000923347553 759103777 /nfs/dbraw/zinc/10/37/77/759103777.db2.gz SCHFUCMXIWNOQV-HQSKLWIPSA-N 2 1 360.571 3.008 20 0 FGADMP Cc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)sc1C(C)(C)C ZINC000923390913 759110116 /nfs/dbraw/zinc/11/01/16/759110116.db2.gz ZOSSUGPXLCOAPP-ARFHVFGLSA-N 2 1 351.560 3.467 20 0 FGADMP CC(=O)N(c1nc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cs1)c1ccc(C)cc1 ZINC000923483458 759129552 /nfs/dbraw/zinc/12/95/52/759129552.db2.gz PFTLMXNFIJWRRM-INIZCTEOSA-N 2 1 358.511 3.307 20 0 FGADMP CC(=O)N(c1nc(C[N@H+]2CC[C@H](CC[NH3+])C2)cs1)c1ccc(C)cc1 ZINC000923483458 759129553 /nfs/dbraw/zinc/12/95/53/759129553.db2.gz PFTLMXNFIJWRRM-INIZCTEOSA-N 2 1 358.511 3.307 20 0 FGADMP COc1cc(C[NH2+]C2CC[NH+](CCC(C)C)CC2)cc(OC)c1OC ZINC000924573762 759355909 /nfs/dbraw/zinc/35/59/09/759355909.db2.gz KBAFAELJDZFKLI-UHFFFAOYSA-N 2 1 350.503 3.313 20 0 FGADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925784472 759537124 /nfs/dbraw/zinc/53/71/24/759537124.db2.gz SBJUQDNILHAYIX-LKFCYVNXSA-N 2 1 363.221 3.410 20 0 FGADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428574 760860116 /nfs/dbraw/zinc/86/01/16/760860116.db2.gz XVBCNCHDFOCROH-AEGPPILISA-N 2 1 370.324 3.054 20 0 FGADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428574 760860125 /nfs/dbraw/zinc/86/01/25/760860125.db2.gz XVBCNCHDFOCROH-AEGPPILISA-N 2 1 370.324 3.054 20 0 FGADMP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428574 760860129 /nfs/dbraw/zinc/86/01/29/760860129.db2.gz XVBCNCHDFOCROH-AEGPPILISA-N 2 1 370.324 3.054 20 0 FGADMP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccc(Cl)c(Cl)c1 ZINC000931428574 760860140 /nfs/dbraw/zinc/86/01/40/760860140.db2.gz XVBCNCHDFOCROH-AEGPPILISA-N 2 1 370.324 3.054 20 0 FGADMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3ccc(Cl)c(Cl)c3)C2)CC[N@H+]1C ZINC000968728348 762842029 /nfs/dbraw/zinc/84/20/29/762842029.db2.gz KGJQHORYRSEDSR-BPLDGKMQSA-N 2 1 370.324 3.024 20 0 FGADMP Cc1cc(C[NH+]2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cs1 ZINC000968864623 762843950 /nfs/dbraw/zinc/84/39/50/762843950.db2.gz ZCBVVEJBLBOJEZ-BHIYHBOVSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cc(C[N@H+]2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cs1 ZINC000968864623 762843957 /nfs/dbraw/zinc/84/39/57/762843957.db2.gz ZCBVVEJBLBOJEZ-BHIYHBOVSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)cs1 ZINC000968864623 762843965 /nfs/dbraw/zinc/84/39/65/762843965.db2.gz ZCBVVEJBLBOJEZ-BHIYHBOVSA-N 2 1 363.571 3.258 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000981195030 763463223 /nfs/dbraw/zinc/46/32/23/763463223.db2.gz ZHBSFGXMZBETIH-IAGOWNOFSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cccc(Cl)c1C[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000981195030 763463226 /nfs/dbraw/zinc/46/32/26/763463226.db2.gz ZHBSFGXMZBETIH-IAGOWNOFSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cccc(Cl)c1C[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981195030 763463230 /nfs/dbraw/zinc/46/32/30/763463230.db2.gz ZHBSFGXMZBETIH-IAGOWNOFSA-N 2 1 363.933 3.023 20 0 FGADMP Cc1cccc(Cl)c1C[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000981195030 763463233 /nfs/dbraw/zinc/46/32/33/763463233.db2.gz ZHBSFGXMZBETIH-IAGOWNOFSA-N 2 1 363.933 3.023 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3csc(C)c3)CC2)CC[N@H+]1C ZINC001005416281 765469003 /nfs/dbraw/zinc/46/90/03/765469003.db2.gz SELIGOIUWCPIRP-RBUKOAKNSA-N 2 1 363.571 3.210 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@@H+]1C ZINC001005406837 765469024 /nfs/dbraw/zinc/46/90/24/765469024.db2.gz HGLNYXRUZHFTMH-CZUORRHYSA-N 2 1 369.962 3.165 20 0 FGADMP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccc(Cl)s3)CC2)CC[N@H+]1C ZINC001005406837 765469025 /nfs/dbraw/zinc/46/90/25/765469025.db2.gz HGLNYXRUZHFTMH-CZUORRHYSA-N 2 1 369.962 3.165 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](Cc3ccc(Cl)cc3C)C2)CC[N@H+]1C ZINC001014507870 765787073 /nfs/dbraw/zinc/78/70/73/765787073.db2.gz LPKHKXRWERDJAC-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccc(Cl)cc3C)C2)CC[NH+]1C ZINC001014507870 765787077 /nfs/dbraw/zinc/78/70/77/765787077.db2.gz LPKHKXRWERDJAC-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccc(Cl)cc3C)C2)CC[NH+]1C ZINC001014507870 765787080 /nfs/dbraw/zinc/78/70/80/765787080.db2.gz LPKHKXRWERDJAC-CEXWTWQISA-N 2 1 363.933 3.069 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC001024447368 766052713 /nfs/dbraw/zinc/05/27/13/766052713.db2.gz UVWVWPLQHNOEKF-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2Cc2cccc(Cl)c2)CC[N@H+]1C ZINC001024447368 766052723 /nfs/dbraw/zinc/05/27/23/766052723.db2.gz UVWVWPLQHNOEKF-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001024447368 766052731 /nfs/dbraw/zinc/05/27/31/766052731.db2.gz UVWVWPLQHNOEKF-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[N@H+]2Cc2cccc(Cl)c2)CC[NH+]1C ZINC001024447368 766052737 /nfs/dbraw/zinc/05/27/37/766052737.db2.gz UVWVWPLQHNOEKF-AYOQOUSVSA-N 2 1 363.933 3.151 20 0 FGADMP Cc1cc(C[NH+]2CCCC[C@@H]2CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c(C)s1 ZINC001024446581 766053481 /nfs/dbraw/zinc/05/34/81/766053481.db2.gz GLCCXEBFFVBGSV-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC001024446581 766053487 /nfs/dbraw/zinc/05/34/87/766053487.db2.gz GLCCXEBFFVBGSV-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c(C)s1 ZINC001024446581 766053498 /nfs/dbraw/zinc/05/34/98/766053498.db2.gz GLCCXEBFFVBGSV-ATZDWAIDSA-N 2 1 363.571 3.176 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[NH+](Cc3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001028552125 766124302 /nfs/dbraw/zinc/12/43/02/766124302.db2.gz HIJQKOOPVZPWLH-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001028552125 766124306 /nfs/dbraw/zinc/12/43/06/766124306.db2.gz HIJQKOOPVZPWLH-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC[NH+]1C ZINC001028552125 766124312 /nfs/dbraw/zinc/12/43/12/766124312.db2.gz HIJQKOOPVZPWLH-YTQUADARSA-N 2 1 363.933 3.008 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC001031683853 766183820 /nfs/dbraw/zinc/18/38/20/766183820.db2.gz AMVKLOCYEUPOGW-MDASCCDHSA-N 2 1 363.933 3.179 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC001031683853 766183833 /nfs/dbraw/zinc/18/38/33/766183833.db2.gz AMVKLOCYEUPOGW-MDASCCDHSA-N 2 1 363.933 3.179 20 0 FGADMP Cc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001045043580 766504628 /nfs/dbraw/zinc/50/46/28/766504628.db2.gz HYLDLNJJWNVFRI-AYOQOUSVSA-N 2 1 363.933 3.069 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3Cl)C2)CC[N@H+]1C ZINC001046329696 766584524 /nfs/dbraw/zinc/58/45/24/766584524.db2.gz CKUAXEWELLEORE-ILZDJORESA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001046329696 766584530 /nfs/dbraw/zinc/58/45/30/766584530.db2.gz CKUAXEWELLEORE-ILZDJORESA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3Cl)C2)CC[NH+]1C ZINC001046329696 766584535 /nfs/dbraw/zinc/58/45/35/766584535.db2.gz CKUAXEWELLEORE-ILZDJORESA-N 2 1 363.933 3.151 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3Cc2ccsc2)CC[N@H+]1C ZINC001049483490 766786378 /nfs/dbraw/zinc/78/63/78/766786378.db2.gz XRYXAXXHBGXZRD-WJFTUGDTSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483490 766786389 /nfs/dbraw/zinc/78/63/89/766786389.db2.gz XRYXAXXHBGXZRD-WJFTUGDTSA-N 2 1 361.555 3.044 20 0 FGADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]3[C@H]2CC[N@H+]3Cc2ccsc2)CC[NH+]1C ZINC001049483490 766786396 /nfs/dbraw/zinc/78/63/96/766786396.db2.gz XRYXAXXHBGXZRD-WJFTUGDTSA-N 2 1 361.555 3.044 20 0 FGADMP Cc1cc(C[NH+]2CCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393595 766899576 /nfs/dbraw/zinc/89/95/76/766899576.db2.gz PBQLSDYFIZRVEJ-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@H+]2CCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393595 766899588 /nfs/dbraw/zinc/89/95/88/766899588.db2.gz PBQLSDYFIZRVEJ-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP Cc1cc(C[N@@H+]2CCC[C@H](NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)c(C)s1 ZINC001052393595 766899600 /nfs/dbraw/zinc/89/96/00/766899600.db2.gz PBQLSDYFIZRVEJ-AYOQOUSVSA-N 2 1 363.571 3.176 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629923 223122242 /nfs/dbraw/zinc/12/22/42/223122242.db2.gz ITYYAZABHDWTSL-PVSGBFIBSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000328629923 223122245 /nfs/dbraw/zinc/12/22/45/223122245.db2.gz ITYYAZABHDWTSL-PVSGBFIBSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000328629923 223122246 /nfs/dbraw/zinc/12/22/46/223122246.db2.gz ITYYAZABHDWTSL-PVSGBFIBSA-N 2 1 364.537 3.185 20 0 FGADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000328629923 223122248 /nfs/dbraw/zinc/12/22/48/223122248.db2.gz ITYYAZABHDWTSL-PVSGBFIBSA-N 2 1 364.537 3.185 20 0 FGADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(NC(=O)c3ccc(OC)cc3)c2)C1 ZINC000048745018 257344392 /nfs/dbraw/zinc/34/43/92/257344392.db2.gz VGYQUOPXNHCRFQ-GOSISDBHSA-N 2 1 367.493 3.379 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000536848872 503739674 /nfs/dbraw/zinc/73/96/74/503739674.db2.gz YMIRATWKUISEQZ-OTWHNJEPSA-N 2 1 370.603 3.158 20 0 FGADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C[C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000573746174 505609879 /nfs/dbraw/zinc/60/98/79/505609879.db2.gz PSJKFYPVVHFULD-UXHICEINSA-N 2 1 360.567 3.258 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[NH2+]CCC[NH+]4CCC4)cc3)nc12 ZINC000579734489 505610209 /nfs/dbraw/zinc/61/02/09/505610209.db2.gz UTCYUGQWOVXDLU-UHFFFAOYSA-N 2 1 364.493 3.407 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000579836224 505629507 /nfs/dbraw/zinc/62/95/07/505629507.db2.gz FUGLWPBKPYPYCM-FGZHOGPDSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836224 505629511 /nfs/dbraw/zinc/62/95/11/505629511.db2.gz FUGLWPBKPYPYCM-FGZHOGPDSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000579836224 505629515 /nfs/dbraw/zinc/62/95/15/505629515.db2.gz FUGLWPBKPYPYCM-FGZHOGPDSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836224 505629516 /nfs/dbraw/zinc/62/95/16/505629516.db2.gz FUGLWPBKPYPYCM-FGZHOGPDSA-N 3 1 371.569 3.010 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579836224 505629521 /nfs/dbraw/zinc/62/95/21/505629521.db2.gz FUGLWPBKPYPYCM-FGZHOGPDSA-N 3 1 371.569 3.010 20 0 FGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000580063984 505672505 /nfs/dbraw/zinc/67/25/05/505672505.db2.gz DXGVSPUOEZZCJV-SELNLUPBSA-N 2 1 368.521 3.162 20 0 FGADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000580063984 505672509 /nfs/dbraw/zinc/67/25/09/505672509.db2.gz DXGVSPUOEZZCJV-SELNLUPBSA-N 2 1 368.521 3.162 20 0 FGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000580063981 505672727 /nfs/dbraw/zinc/67/27/27/505672727.db2.gz DXGVSPUOEZZCJV-DNVFCKCGSA-N 2 1 368.521 3.162 20 0 FGADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000580063981 505672731 /nfs/dbraw/zinc/67/27/31/505672731.db2.gz DXGVSPUOEZZCJV-DNVFCKCGSA-N 2 1 368.521 3.162 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000580111029 505679644 /nfs/dbraw/zinc/67/96/44/505679644.db2.gz NENIMLBONFHYAG-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000580111029 505679648 /nfs/dbraw/zinc/67/96/48/505679648.db2.gz NENIMLBONFHYAG-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC(C)[NH+](C)CC1CCN(C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000580111029 505679651 /nfs/dbraw/zinc/67/96/51/505679651.db2.gz NENIMLBONFHYAG-LJQANCHMSA-N 2 1 374.573 3.269 20 0 FGADMP CC[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000030145059 493877854 /nfs/dbraw/zinc/87/78/54/493877854.db2.gz ASNHDFFNHGVXKQ-RBUKOAKNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)NCCC[NH2+]C2CCCCC2)c1 ZINC000061794633 493995052 /nfs/dbraw/zinc/99/50/52/493995052.db2.gz ZJFYKWBWZVSYCI-UHFFFAOYSA-N 2 1 360.546 3.250 20 0 FGADMP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061790468 493995265 /nfs/dbraw/zinc/99/52/65/493995265.db2.gz ZUWCFRLVYOVVCH-MRXNPFEDSA-N 2 1 364.559 3.087 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000052209957 494011381 /nfs/dbraw/zinc/01/13/81/494011381.db2.gz IGCNUYKLXKJOTP-UHFFFAOYSA-N 2 1 353.457 3.347 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000052209957 494011386 /nfs/dbraw/zinc/01/13/86/494011386.db2.gz IGCNUYKLXKJOTP-UHFFFAOYSA-N 2 1 353.457 3.347 20 0 FGADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2OCC)CC1 ZINC000052209847 494011661 /nfs/dbraw/zinc/01/16/61/494011661.db2.gz WBFMMYICVGWCCU-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2OCC)CC1 ZINC000052209847 494011665 /nfs/dbraw/zinc/01/16/65/494011665.db2.gz WBFMMYICVGWCCU-UHFFFAOYSA-N 2 1 361.530 3.468 20 0 FGADMP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000071039847 494082218 /nfs/dbraw/zinc/08/22/18/494082218.db2.gz JRBITQPWIBBTMH-GOSISDBHSA-N 2 1 361.449 3.118 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000071923568 494108683 /nfs/dbraw/zinc/10/86/83/494108683.db2.gz ICFOGGIBCRVDGX-LJQANCHMSA-N 2 1 352.567 3.062 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC2CCC2)[C@@H](C)c2ccccc2)CC1 ZINC000077658089 494133932 /nfs/dbraw/zinc/13/39/32/494133932.db2.gz ISVDLOMXHFPLIY-SFHVURJKSA-N 2 1 357.542 3.450 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000086284565 494147592 /nfs/dbraw/zinc/14/75/92/494147592.db2.gz BURLAVNDDHRDLF-FUHWJXTLSA-N 2 1 369.513 3.271 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000086284565 494147599 /nfs/dbraw/zinc/14/75/99/494147599.db2.gz BURLAVNDDHRDLF-FUHWJXTLSA-N 2 1 369.513 3.271 20 0 FGADMP C[C@H](CC[NH+]1CCCC[C@H]1C1(O)CC1)CC[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000568484289 505706321 /nfs/dbraw/zinc/70/63/21/505706321.db2.gz GPZHYRMEKSFDPB-ACDBMABISA-N 2 1 364.574 3.162 20 0 FGADMP C[C@@H](CC[NH+]1CCCC[C@@H]1C1(O)CC1)CC[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000568484289 505706324 /nfs/dbraw/zinc/70/63/24/505706324.db2.gz GPZHYRMEKSFDPB-ACDBMABISA-N 2 1 364.574 3.162 20 0 FGADMP C[C@@H](CC[NH+]1CCCC[C@@H]1C1(O)CC1)CC[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000568484289 505706327 /nfs/dbraw/zinc/70/63/27/505706327.db2.gz GPZHYRMEKSFDPB-ACDBMABISA-N 2 1 364.574 3.162 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccc(C)c2C)CC1 ZINC000089131714 494268996 /nfs/dbraw/zinc/26/89/96/494268996.db2.gz YVJYYCQPNVKZBP-OAQYLSRUSA-N 2 1 357.542 3.431 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000066185521 494285794 /nfs/dbraw/zinc/28/57/94/494285794.db2.gz IGCFJKPFZCJTFH-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1cccc(C[NH+]2CCN(C(=O)Nc3cccc(C[NH+](C)C)c3)CC2)c1 ZINC000044291777 494347355 /nfs/dbraw/zinc/34/73/55/494347355.db2.gz ULAFFHOAATUMHI-UHFFFAOYSA-N 2 1 366.509 3.406 20 0 FGADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000066531435 494351004 /nfs/dbraw/zinc/35/10/04/494351004.db2.gz FUKNXXRLZSOUEX-CALCHBBNSA-N 2 1 361.555 3.437 20 0 FGADMP Cc1cccc(CN(CC[NH+](C)C)C(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000073377514 494364822 /nfs/dbraw/zinc/36/48/22/494364822.db2.gz XSFRTLWDTDFGCH-UHFFFAOYSA-N 2 1 356.514 3.295 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000073415542 494369142 /nfs/dbraw/zinc/36/91/42/494369142.db2.gz MVIBKDMQAMWPPV-CTNGQTDRSA-N 2 1 372.557 3.197 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000079219086 494421181 /nfs/dbraw/zinc/42/11/81/494421181.db2.gz ONHDRFWKTIDHRF-SFHVURJKSA-N 2 1 352.567 3.062 20 0 FGADMP CC(C)C[NH+]1CCC(NC(=O)N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000045463670 494430902 /nfs/dbraw/zinc/43/09/02/494430902.db2.gz ASMOVYLHPOJFPD-UHFFFAOYSA-N 2 1 372.557 3.024 20 0 FGADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000073959229 494457008 /nfs/dbraw/zinc/45/70/08/494457008.db2.gz GIAIVFPDWIFOIA-HKUYNNGSSA-N 2 1 363.571 3.368 20 0 FGADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000045788985 494462202 /nfs/dbraw/zinc/46/22/02/494462202.db2.gz XJAAILIKANILNY-UHFFFAOYSA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000079599536 494490587 /nfs/dbraw/zinc/49/05/87/494490587.db2.gz SOBYTGXMFVXFKJ-GOSISDBHSA-N 2 1 366.575 3.113 20 0 FGADMP CC(C)[N@@H+](C)CC1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC1 ZINC000079599535 494490943 /nfs/dbraw/zinc/49/09/43/494490943.db2.gz SOBYTGXMFVXFKJ-SFHVURJKSA-N 2 1 366.575 3.113 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](CCc3cccs3)CC2)c1 ZINC000056621259 494537193 /nfs/dbraw/zinc/53/71/93/494537193.db2.gz FUTXABLHCKWFKQ-UHFFFAOYSA-N 2 1 372.538 3.202 20 0 FGADMP Cc1oc(-c2ccccc2)nc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000079882818 494542372 /nfs/dbraw/zinc/54/23/72/494542372.db2.gz GVAWNHIEFHYSHS-UHFFFAOYSA-N 2 1 355.482 3.194 20 0 FGADMP CCCC[N@@H+](C)CC1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000079896552 494545015 /nfs/dbraw/zinc/54/50/15/494545015.db2.gz KSBMPZYODAXILQ-UHFFFAOYSA-N 2 1 374.573 3.402 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000024571055 494640922 /nfs/dbraw/zinc/64/09/22/494640922.db2.gz FFASVFJWLOCTCI-LJQANCHMSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)C[C@H](C)O1 ZINC000131558290 494657111 /nfs/dbraw/zinc/65/71/11/494657111.db2.gz LWUJKPGLWURVNX-IYBDPMFKSA-N 2 1 353.466 3.007 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccc(C[NH3+])cc3)cc2)C[C@H](C)O1 ZINC000131558290 494657120 /nfs/dbraw/zinc/65/71/20/494657120.db2.gz LWUJKPGLWURVNX-IYBDPMFKSA-N 2 1 353.466 3.007 20 0 FGADMP CCc1cccc(NC(=O)C[NH+]2CCC(OCC[NH+](CC)CC)CC2)c1 ZINC000075007387 494672396 /nfs/dbraw/zinc/67/23/96/494672396.db2.gz FBHLZZFAOHGUGM-UHFFFAOYSA-N 2 1 361.530 3.010 20 0 FGADMP C[N@H+]1CCC[C@]2(CCN(CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466226 505739819 /nfs/dbraw/zinc/73/98/19/505739819.db2.gz QPROFDPZOMOJQU-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466226 505739823 /nfs/dbraw/zinc/73/98/23/505739823.db2.gz QPROFDPZOMOJQU-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[NH+](C)C2)cc1 ZINC000108549558 494736080 /nfs/dbraw/zinc/73/60/80/494736080.db2.gz VGNPQBPWTBIBBT-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000108549558 494736085 /nfs/dbraw/zinc/73/60/85/494736085.db2.gz VGNPQBPWTBIBBT-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000108549558 494736092 /nfs/dbraw/zinc/73/60/92/494736092.db2.gz VGNPQBPWTBIBBT-NQIIRXRSSA-N 2 1 372.557 3.202 20 0 FGADMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3cc(F)cc(Br)c3)C2)C1 ZINC000571466226 505739828 /nfs/dbraw/zinc/73/98/28/505739828.db2.gz QPROFDPZOMOJQU-KRWDZBQOSA-N 2 1 371.294 3.385 20 0 FGADMP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)CC1 ZINC000080616933 494748784 /nfs/dbraw/zinc/74/87/84/494748784.db2.gz PELLDUHGPMFAFK-FUHWJXTLSA-N 2 1 356.514 3.006 20 0 FGADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000092043097 494765535 /nfs/dbraw/zinc/76/55/35/494765535.db2.gz PWNALFWVWHMDSN-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(SC)cc1OC ZINC000092043097 494765538 /nfs/dbraw/zinc/76/55/38/494765538.db2.gz PWNALFWVWHMDSN-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(SC)cc1OC ZINC000092043097 494765542 /nfs/dbraw/zinc/76/55/42/494765542.db2.gz PWNALFWVWHMDSN-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(SC)cc1OC ZINC000092043097 494765546 /nfs/dbraw/zinc/76/55/46/494765546.db2.gz PWNALFWVWHMDSN-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CC[NH+](C)CC1 ZINC000092043411 494766865 /nfs/dbraw/zinc/76/68/65/494766865.db2.gz JFIKMAMSFNIGDP-DENIHFKCSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000092043411 494766868 /nfs/dbraw/zinc/76/68/68/494766868.db2.gz JFIKMAMSFNIGDP-DENIHFKCSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000092043411 494766871 /nfs/dbraw/zinc/76/68/71/494766871.db2.gz JFIKMAMSFNIGDP-DENIHFKCSA-N 3 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000092043411 494766875 /nfs/dbraw/zinc/76/68/75/494766875.db2.gz JFIKMAMSFNIGDP-DENIHFKCSA-N 2 1 370.585 3.133 20 0 FGADMP CN(c1ccccc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CC[NH+](C)CC1 ZINC000092043411 494766885 /nfs/dbraw/zinc/76/68/85/494766885.db2.gz JFIKMAMSFNIGDP-DENIHFKCSA-N 2 1 370.585 3.133 20 0 FGADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)Cc1cccc(F)c1 ZINC000116397153 494774047 /nfs/dbraw/zinc/77/40/47/494774047.db2.gz JXOOXWYQBABCLF-CRAIPNDOSA-N 2 1 351.510 3.129 20 0 FGADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC(c3ccccc3)=N2)CC1 ZINC000121488638 494777785 /nfs/dbraw/zinc/77/77/85/494777785.db2.gz BQBKEUXFEVFADD-UHFFFAOYSA-N 2 1 370.541 3.067 20 0 FGADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCCO2 ZINC000126664761 494814340 /nfs/dbraw/zinc/81/43/40/494814340.db2.gz IYOVGROIYWHBAP-LJQANCHMSA-N 2 1 365.949 3.479 20 0 FGADMP COc1ccc(NC(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)cc1 ZINC000121669998 494834226 /nfs/dbraw/zinc/83/42/26/494834226.db2.gz AINCARJDXGAQQX-UHFFFAOYSA-N 2 1 359.514 3.222 20 0 FGADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109310448 494858775 /nfs/dbraw/zinc/85/87/75/494858775.db2.gz VXDIYGDXSJBOIV-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000109310448 494858781 /nfs/dbraw/zinc/85/87/81/494858781.db2.gz VXDIYGDXSJBOIV-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(C)C)[C@H]2CCCc3cccnc32)CC1 ZINC000127019170 494880843 /nfs/dbraw/zinc/88/08/43/494880843.db2.gz ZBLRIAFXRBJASC-FQEVSTJZSA-N 2 1 372.557 3.018 20 0 FGADMP CCC[N@H+](Cc1cn(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417527 494890593 /nfs/dbraw/zinc/89/05/93/494890593.db2.gz ACESBCRBCRHMPY-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CCC[N@@H+](Cc1cn(C)nc1C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000093417527 494890595 /nfs/dbraw/zinc/89/05/95/494890595.db2.gz ACESBCRBCRHMPY-UHFFFAOYSA-N 2 1 356.518 3.016 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639584 494906962 /nfs/dbraw/zinc/90/69/62/494906962.db2.gz FIVBXEXYYUPLFO-BEFAXECRSA-N 2 1 358.486 3.119 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639584 494906966 /nfs/dbraw/zinc/90/69/66/494906966.db2.gz FIVBXEXYYUPLFO-BEFAXECRSA-N 2 1 358.486 3.119 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)[C@H](C)C1 ZINC000093639584 494906970 /nfs/dbraw/zinc/90/69/70/494906970.db2.gz FIVBXEXYYUPLFO-BEFAXECRSA-N 2 1 358.486 3.119 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2F)[C@H](C)C1 ZINC000127439470 494944805 /nfs/dbraw/zinc/94/48/05/494944805.db2.gz SMMULFBDLJROEI-LMMKCTJWSA-N 2 1 352.494 3.320 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000132993473 494953767 /nfs/dbraw/zinc/95/37/67/494953767.db2.gz BMOYPRVWQWVOME-PMACEKPBSA-N 2 1 372.601 3.427 20 0 FGADMP C[C@@H](CNCc1ccccc1N(C)C1CC[NH+](C)CC1)[N@H+]1CCC[C@H](C)C1 ZINC000132993473 494953769 /nfs/dbraw/zinc/95/37/69/494953769.db2.gz BMOYPRVWQWVOME-PMACEKPBSA-N 2 1 372.601 3.427 20 0 FGADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)Cc1ccco1 ZINC000571514004 505751798 /nfs/dbraw/zinc/75/17/98/505751798.db2.gz MHTPPQAZZACBTH-KZKAQZJJSA-N 2 1 368.521 3.463 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000110507102 494984872 /nfs/dbraw/zinc/98/48/72/494984872.db2.gz MKMPFJYCVYJGKZ-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000110507102 494984876 /nfs/dbraw/zinc/98/48/76/494984876.db2.gz MKMPFJYCVYJGKZ-GOSISDBHSA-N 2 1 351.494 3.095 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[C@@]4(CC[C@H](C)C4)C3)CC2)CC1 ZINC000571535546 505757120 /nfs/dbraw/zinc/75/71/20/505757120.db2.gz RDOYWWMGTBUCNE-PGRDOPGGSA-N 2 1 361.574 3.221 20 0 FGADMP CC1CC[NH+](CCCCNC(=O)NCCC[N@@H+](C)C2CCCCC2)CC1 ZINC000097428353 495035460 /nfs/dbraw/zinc/03/54/60/495035460.db2.gz JADPQBNQDJCNCE-UHFFFAOYSA-N 2 1 366.594 3.452 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000122845338 495040183 /nfs/dbraw/zinc/04/01/83/495040183.db2.gz NYOJCTXJDWVUSK-MJGOQNOKSA-N 2 1 373.541 3.187 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000122845338 495040184 /nfs/dbraw/zinc/04/01/84/495040184.db2.gz NYOJCTXJDWVUSK-MJGOQNOKSA-N 2 1 373.541 3.187 20 0 FGADMP C[C@H](C(=O)Nc1nc2ccccc2s1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868406 495051315 /nfs/dbraw/zinc/05/13/15/495051315.db2.gz ILOKILLXZVRCLO-CQSZACIVSA-N 2 1 360.527 3.287 20 0 FGADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)[NH+](C)C)cc1 ZINC000118983216 495064025 /nfs/dbraw/zinc/06/40/25/495064025.db2.gz IAHLVXHTTHTNMY-UVUJQTEASA-N 2 1 359.558 3.077 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[NH+](C)C(C)C)[C@H](C)C1 ZINC000128234739 495064901 /nfs/dbraw/zinc/06/49/01/495064901.db2.gz KWUVHFNCXDPVRN-NQIIRXRSSA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@H+](C)C(C)C)[C@H](C)C1 ZINC000128234739 495064903 /nfs/dbraw/zinc/06/49/03/495064903.db2.gz KWUVHFNCXDPVRN-NQIIRXRSSA-N 2 1 374.573 3.399 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC000128234739 495064904 /nfs/dbraw/zinc/06/49/04/495064904.db2.gz KWUVHFNCXDPVRN-NQIIRXRSSA-N 2 1 374.573 3.399 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326631 495079849 /nfs/dbraw/zinc/07/98/49/495079849.db2.gz DGUCNUIKDHHUAF-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326631 495079853 /nfs/dbraw/zinc/07/98/53/495079853.db2.gz DGUCNUIKDHHUAF-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@@H](N(C)C(=O)NCCC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000128326631 495079856 /nfs/dbraw/zinc/07/98/56/495079856.db2.gz DGUCNUIKDHHUAF-IEBWSBKVSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(-c3ccc(Cl)cc3)nn2)CC1 ZINC000123150258 495087756 /nfs/dbraw/zinc/08/77/56/495087756.db2.gz UIYJVJODXIKOGE-UHFFFAOYSA-N 2 1 361.921 3.475 20 0 FGADMP CC(C)(O)[C@H]1CCC[N@H+]1Cc1cccc(C[NH+]2CCC[C@H]2C(C)(C)O)c1 ZINC000119137007 495101323 /nfs/dbraw/zinc/10/13/23/495101323.db2.gz FOVOMZPHHPUJDI-BGYRXZFFSA-N 2 1 360.542 3.157 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1cccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000119137007 495101325 /nfs/dbraw/zinc/10/13/25/495101325.db2.gz FOVOMZPHHPUJDI-BGYRXZFFSA-N 2 1 360.542 3.157 20 0 FGADMP CC(C)(O)[C@H]1CCC[NH+]1Cc1cccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c1 ZINC000119137007 495101328 /nfs/dbraw/zinc/10/13/28/495101328.db2.gz FOVOMZPHHPUJDI-BGYRXZFFSA-N 2 1 360.542 3.157 20 0 FGADMP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)C1 ZINC000123239939 495102105 /nfs/dbraw/zinc/10/21/05/495102105.db2.gz BHIZHBBOAYPFGC-OXJNMPFZSA-N 2 1 369.513 3.367 20 0 FGADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128514308 495109022 /nfs/dbraw/zinc/10/90/22/495109022.db2.gz MQZVLUDFEMOYDA-HNNXBMFYSA-N 2 1 352.592 3.427 20 0 FGADMP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CC1 ZINC000111875357 495123707 /nfs/dbraw/zinc/12/37/07/495123707.db2.gz QSXDSCCEYNECKO-GOSISDBHSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000111880931 495124959 /nfs/dbraw/zinc/12/49/59/495124959.db2.gz HCNPGNDHMMJHJC-QGZVFWFLSA-N 2 1 352.567 3.059 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000128788266 495150582 /nfs/dbraw/zinc/15/05/82/495150582.db2.gz BEIWNJPERQNACH-IBGZPJMESA-N 2 1 370.497 3.392 20 0 FGADMP COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000128788266 495150585 /nfs/dbraw/zinc/15/05/85/495150585.db2.gz BEIWNJPERQNACH-IBGZPJMESA-N 2 1 370.497 3.392 20 0 FGADMP C[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CN1Cc1ccccc1 ZINC000119551545 495189182 /nfs/dbraw/zinc/18/91/82/495189182.db2.gz PNSYHDIKQAWAEG-RBBKRZOGSA-N 2 1 371.569 3.274 20 0 FGADMP Cc1[nH+]ccn1-c1ccc(CNC(=O)C[C@H]([NH3+])c2ccccc2)cc1F ZINC000119565158 495192678 /nfs/dbraw/zinc/19/26/78/495192678.db2.gz ZDBRBFUDRDQCPG-SFHVURJKSA-N 2 1 352.413 3.026 20 0 FGADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000119600028 495198785 /nfs/dbraw/zinc/19/87/85/495198785.db2.gz UNELHFBQSFPROL-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000119600028 495198789 /nfs/dbraw/zinc/19/87/89/495198789.db2.gz UNELHFBQSFPROL-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CC(C)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000119600028 495198793 /nfs/dbraw/zinc/19/87/93/495198793.db2.gz UNELHFBQSFPROL-RTWAWAEBSA-N 2 1 357.542 3.135 20 0 FGADMP CCOC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000129222479 495213810 /nfs/dbraw/zinc/21/38/10/495213810.db2.gz GWEZIURHKGDZNV-IBGZPJMESA-N 2 1 360.498 3.079 20 0 FGADMP CCOC(=O)COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000129222479 495213813 /nfs/dbraw/zinc/21/38/13/495213813.db2.gz GWEZIURHKGDZNV-IBGZPJMESA-N 2 1 360.498 3.079 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000123973185 495214678 /nfs/dbraw/zinc/21/46/78/495214678.db2.gz XYRFOORZEIOZTK-YUXAGFNASA-N 2 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000123973185 495214682 /nfs/dbraw/zinc/21/46/82/495214682.db2.gz XYRFOORZEIOZTK-YUXAGFNASA-N 2 1 359.558 3.117 20 0 FGADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000123973185 495214684 /nfs/dbraw/zinc/21/46/84/495214684.db2.gz XYRFOORZEIOZTK-YUXAGFNASA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000123973185 495214686 /nfs/dbraw/zinc/21/46/86/495214686.db2.gz XYRFOORZEIOZTK-YUXAGFNASA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000123973185 495214689 /nfs/dbraw/zinc/21/46/89/495214689.db2.gz XYRFOORZEIOZTK-YUXAGFNASA-N 2 1 359.558 3.117 20 0 FGADMP CC[N@@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C(C)C ZINC000103313868 495218282 /nfs/dbraw/zinc/21/82/82/495218282.db2.gz ZFYIBWWLECOGIG-LJQANCHMSA-N 2 1 352.567 3.014 20 0 FGADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1Cn1cccn1 ZINC000119712827 495224818 /nfs/dbraw/zinc/22/48/18/495224818.db2.gz VWJBWIREGPUBCP-INIZCTEOSA-N 2 1 354.498 3.217 20 0 FGADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(Cl)cc1)N1CCOCC1 ZINC000119794590 495242216 /nfs/dbraw/zinc/24/22/16/495242216.db2.gz ZUJGPKCGSQKYOT-SMOSDQRPSA-N 2 1 365.949 3.032 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCC2CCOCC2)CC1 ZINC000129653120 495275970 /nfs/dbraw/zinc/27/59/70/495275970.db2.gz XUUIADSOYKRUFI-UHFFFAOYSA-N 2 1 359.558 3.467 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CC1 ZINC000124365402 495276301 /nfs/dbraw/zinc/27/63/01/495276301.db2.gz WEHBQKHBMWGVJV-IBGZPJMESA-N 2 1 365.949 3.417 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1OC(F)F ZINC000124522432 495301459 /nfs/dbraw/zinc/30/14/59/495301459.db2.gz UNFRMRBDVAUOFO-CQSZACIVSA-N 2 1 373.463 3.351 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@H](C)C1 ZINC000129859819 495306649 /nfs/dbraw/zinc/30/66/49/495306649.db2.gz OLZQDQUVJBZPPC-YLJYHZDGSA-N 2 1 364.578 3.155 20 0 FGADMP CCCC[C@@H]1CCC[C@@H]1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000105241420 495347616 /nfs/dbraw/zinc/34/76/16/495347616.db2.gz KGKVWDRVACTCOT-MJGOQNOKSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000571625008 505776470 /nfs/dbraw/zinc/77/64/70/505776470.db2.gz RYRKCXTXKCUGRL-MOPGFXCFSA-N 2 1 372.557 3.331 20 0 FGADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124858883 495356084 /nfs/dbraw/zinc/35/60/84/495356084.db2.gz QJEDANAYEUATPT-SFHVURJKSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124858883 495356088 /nfs/dbraw/zinc/35/60/88/495356088.db2.gz QJEDANAYEUATPT-SFHVURJKSA-N 2 1 366.509 3.486 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000114454205 495375599 /nfs/dbraw/zinc/37/55/99/495375599.db2.gz OAQSWKDLPANSID-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000114454205 495375604 /nfs/dbraw/zinc/37/56/04/495375604.db2.gz OAQSWKDLPANSID-UHFFFAOYSA-N 2 1 371.447 3.126 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)C1 ZINC000130372797 495381793 /nfs/dbraw/zinc/38/17/93/495381793.db2.gz SCLRCRBVANOLMM-KURKYZTESA-N 2 1 356.432 3.464 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130384589 495384237 /nfs/dbraw/zinc/38/42/37/495384237.db2.gz RKCCSVBHQQGBOR-KNQAVFIVSA-N 2 1 370.541 3.141 20 0 FGADMP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000136577421 495388149 /nfs/dbraw/zinc/38/81/49/495388149.db2.gz XKHHZOJXYYFEMH-LEWJYISDSA-N 2 1 372.557 3.154 20 0 FGADMP COc1ccccc1[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000130489076 495399948 /nfs/dbraw/zinc/39/99/48/495399948.db2.gz XTIUCEDNBZHNTG-OAQYLSRUSA-N 2 1 354.494 3.025 20 0 FGADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1Br ZINC000130660760 495426330 /nfs/dbraw/zinc/42/63/30/495426330.db2.gz XISMWSSKMKAOOX-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1Br ZINC000130660760 495426334 /nfs/dbraw/zinc/42/63/34/495426334.db2.gz XISMWSSKMKAOOX-UHFFFAOYSA-N 2 1 352.276 3.485 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000125409159 495440320 /nfs/dbraw/zinc/44/03/20/495440320.db2.gz RFTMEXBLIQFFGY-GHOZHQTGSA-N 2 1 372.557 3.069 20 0 FGADMP CCN(CC)[C@H](C(=O)N1CC[C@@H](Oc2ccncc2)C1)c1ccccc1 ZINC000120710287 495440350 /nfs/dbraw/zinc/44/03/50/495440350.db2.gz CXEVKTZSNRCOGP-UXHICEINSA-N 2 1 353.466 3.144 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000137426747 495440657 /nfs/dbraw/zinc/44/06/57/495440657.db2.gz IYGLZYXZQVFFSD-ICSRJNTNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C[N@H+]1Cc1ccccc1 ZINC000137482511 495442408 /nfs/dbraw/zinc/44/24/08/495442408.db2.gz DYNRKIAFEIYFLX-UTKZUKDTSA-N 2 1 351.494 3.141 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000125511614 495456272 /nfs/dbraw/zinc/45/62/72/495456272.db2.gz WNOKZGLLFUAPKD-SFHVURJKSA-N 2 1 360.889 3.362 20 0 FGADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCN(c2ccccc2Cl)C1=O ZINC000125511614 495456276 /nfs/dbraw/zinc/45/62/76/495456276.db2.gz WNOKZGLLFUAPKD-SFHVURJKSA-N 2 1 360.889 3.362 20 0 FGADMP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000106516759 495460028 /nfs/dbraw/zinc/46/00/28/495460028.db2.gz UGECHXCFYLMHTL-IEBWSBKVSA-N 2 1 374.529 3.123 20 0 FGADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1)[NH+](C)C ZINC000125563381 495463541 /nfs/dbraw/zinc/46/35/41/495463541.db2.gz HIJTWXBPTMBIEE-ZTFGCOKTSA-N 2 1 369.912 3.174 20 0 FGADMP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc1 ZINC000577747413 505784657 /nfs/dbraw/zinc/78/46/57/505784657.db2.gz HZWQNORAJMDOMN-AWEZNQCLSA-N 2 1 373.447 3.379 20 0 FGADMP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000140390328 495494585 /nfs/dbraw/zinc/49/45/85/495494585.db2.gz VTULSGVSZYKYRM-DFQSSKMNSA-N 2 1 372.557 3.242 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(I)cc2)CC[N@@H+]1C ZINC000173525215 495573723 /nfs/dbraw/zinc/57/37/23/495573723.db2.gz ZXSGEFCFMHSWKM-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(I)cc2)CC[N@H+]1C ZINC000173525215 495573726 /nfs/dbraw/zinc/57/37/26/495573726.db2.gz ZXSGEFCFMHSWKM-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525215 495573729 /nfs/dbraw/zinc/57/37/29/495573729.db2.gz ZXSGEFCFMHSWKM-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(I)cc2)CC[NH+]1C ZINC000173525215 495573733 /nfs/dbraw/zinc/57/37/33/495573733.db2.gz ZXSGEFCFMHSWKM-SWLSCSKDSA-N 2 1 358.267 3.206 20 0 FGADMP CN(C)c1ccnc(N2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)n1 ZINC000154310587 495576134 /nfs/dbraw/zinc/57/61/34/495576134.db2.gz OWTZZUKLZJYCFG-MOPGFXCFSA-N 2 1 351.498 3.034 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000154339252 495585489 /nfs/dbraw/zinc/58/54/89/495585489.db2.gz KKPGVBZNFIAFJI-QUCCMNQESA-N 2 1 357.542 3.230 20 0 FGADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](Cc2ccccc2)CC1)c1nccn1C ZINC000182498640 495587828 /nfs/dbraw/zinc/58/78/28/495587828.db2.gz VXOKBOFXQUKFGA-OAQYLSRUSA-N 2 1 369.557 3.059 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000173564617 495590224 /nfs/dbraw/zinc/59/02/24/495590224.db2.gz SDGYLWQRMLENRL-WIYYLYMNSA-N 2 1 372.557 3.297 20 0 FGADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)N[C@@H](c3ccccc3)C3CCCC3)CC[C@@H]21 ZINC000158873491 495606247 /nfs/dbraw/zinc/60/62/47/495606247.db2.gz RRHDYXWHDIAGOG-GIWBLDEGSA-N 2 1 369.553 3.450 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[NH+](C)C(C)C ZINC000176387963 495631942 /nfs/dbraw/zinc/63/19/42/495631942.db2.gz TYDIALFWVFHKLG-RTWAWAEBSA-N 2 1 372.557 3.295 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000176387963 495631950 /nfs/dbraw/zinc/63/19/50/495631950.db2.gz TYDIALFWVFHKLG-RTWAWAEBSA-N 2 1 372.557 3.295 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000176387963 495631955 /nfs/dbraw/zinc/63/19/55/495631955.db2.gz TYDIALFWVFHKLG-RTWAWAEBSA-N 2 1 372.557 3.295 20 0 FGADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000176403624 495638964 /nfs/dbraw/zinc/63/89/64/495638964.db2.gz IRZJVNOSULJCQF-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176403624 495638972 /nfs/dbraw/zinc/63/89/72/495638972.db2.gz IRZJVNOSULJCQF-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000176403624 495638979 /nfs/dbraw/zinc/63/89/79/495638979.db2.gz IRZJVNOSULJCQF-WCIQWLHISA-N 2 1 364.578 3.013 20 0 FGADMP O[C@@H](Cc1ccc(C(F)(F)F)cc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000159125755 495664479 /nfs/dbraw/zinc/66/44/79/495664479.db2.gz AHMYIFQLOUJVMN-SFHVURJKSA-N 2 1 356.432 3.169 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000185678419 495675623 /nfs/dbraw/zinc/67/56/23/495675623.db2.gz ZMWRCPWGYPIJBV-BJLQDIEVSA-N 2 1 357.542 3.276 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N(C)Cc1ccccc1 ZINC000185678419 495675626 /nfs/dbraw/zinc/67/56/26/495675626.db2.gz ZMWRCPWGYPIJBV-BJLQDIEVSA-N 2 1 357.542 3.276 20 0 FGADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000182733686 495681900 /nfs/dbraw/zinc/68/19/00/495681900.db2.gz UABZDYJAGRRVQA-OAHLLOKOSA-N 2 1 352.548 3.304 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc1 ZINC000185698061 495685350 /nfs/dbraw/zinc/68/53/50/495685350.db2.gz WJNUROYGDJCDKT-IXDOHACOSA-N 2 1 359.514 3.265 20 0 FGADMP COc1ccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1 ZINC000185698061 495685353 /nfs/dbraw/zinc/68/53/53/495685353.db2.gz WJNUROYGDJCDKT-IXDOHACOSA-N 2 1 359.514 3.265 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NCCc1cccs1 ZINC000185720403 495696304 /nfs/dbraw/zinc/69/63/04/495696304.db2.gz SUAPOLRZURUWOW-ULQDDVLXSA-N 2 1 363.571 3.038 20 0 FGADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NCCc1cccs1 ZINC000185720403 495696307 /nfs/dbraw/zinc/69/63/07/495696307.db2.gz SUAPOLRZURUWOW-ULQDDVLXSA-N 2 1 363.571 3.038 20 0 FGADMP Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185733460 495702436 /nfs/dbraw/zinc/70/24/36/495702436.db2.gz HWUVNEYIOARJDN-SFHLNBCPSA-N 2 1 360.542 3.286 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185740519 495705093 /nfs/dbraw/zinc/70/50/93/495705093.db2.gz BIXNIYISMSDGQV-NVXWUHKLSA-N 2 1 363.933 3.199 20 0 FGADMP C[C@@H]([NH2+]CC(=O)NCc1ccc(Cl)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185740519 495705096 /nfs/dbraw/zinc/70/50/96/495705096.db2.gz BIXNIYISMSDGQV-NVXWUHKLSA-N 2 1 363.933 3.199 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccsc1 ZINC000173823499 495707883 /nfs/dbraw/zinc/70/78/83/495707883.db2.gz IVMUIYNJFYANIB-NXHRZFHOSA-N 2 1 366.575 3.255 20 0 FGADMP C[C@H](NC(=O)Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000580630963 505801938 /nfs/dbraw/zinc/80/19/38/505801938.db2.gz QKBJZEMCRZVTHD-QFBILLFUSA-N 2 1 364.493 3.322 20 0 FGADMP Clc1ccc2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)cn2c1 ZINC000173958873 495765556 /nfs/dbraw/zinc/76/55/56/495765556.db2.gz BMNDIDURMGMXQO-UHFFFAOYSA-N 2 1 362.905 3.065 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000186102564 495856518 /nfs/dbraw/zinc/85/65/18/495856518.db2.gz LUNSWFVTOVTIAX-ROUUACIJSA-N 2 1 361.534 3.057 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(F)cc2)cc1 ZINC000183157218 495859982 /nfs/dbraw/zinc/85/99/82/495859982.db2.gz RWIBRDUAVRRFAX-OAHLLOKOSA-N 2 1 366.440 3.287 20 0 FGADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000174214498 495867295 /nfs/dbraw/zinc/86/72/95/495867295.db2.gz MSQOHRSDSBFKPN-AWEZNQCLSA-N 2 1 355.885 3.471 20 0 FGADMP CO[C@H]1CC[N@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000577871634 505809632 /nfs/dbraw/zinc/80/96/32/505809632.db2.gz VCNXEYRIQOUNAW-CVEARBPZSA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@H]1CC[N@@H+](CCCCOc2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000577871634 505809635 /nfs/dbraw/zinc/80/96/35/505809635.db2.gz VCNXEYRIQOUNAW-CVEARBPZSA-N 2 1 360.420 3.303 20 0 FGADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccc4c[nH]nc4c3)CC2)C[C@H](C)O1 ZINC000180181080 495894442 /nfs/dbraw/zinc/89/44/42/495894442.db2.gz PTKDDLFYEDCGMK-CALCHBBNSA-N 2 1 356.514 3.274 20 0 FGADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000177052380 495903473 /nfs/dbraw/zinc/90/34/73/495903473.db2.gz LPGJDLABGQGORH-NRFANRHFSA-N 2 1 357.542 3.377 20 0 FGADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000180434351 495995138 /nfs/dbraw/zinc/99/51/38/495995138.db2.gz SPLPAHIZFVLCJL-NRFANRHFSA-N 2 1 371.912 3.183 20 0 FGADMP CN(C)c1ccncc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000183567849 496034567 /nfs/dbraw/zinc/03/45/67/496034567.db2.gz GGRBUNPPTQOWJL-YQQQUEKLSA-N 2 1 364.493 3.073 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000183567849 496034573 /nfs/dbraw/zinc/03/45/73/496034573.db2.gz GGRBUNPPTQOWJL-YQQQUEKLSA-N 2 1 364.493 3.073 20 0 FGADMP CN(C)c1cc[nH+]cc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000183567849 496034577 /nfs/dbraw/zinc/03/45/77/496034577.db2.gz GGRBUNPPTQOWJL-YQQQUEKLSA-N 2 1 364.493 3.073 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CCCC(C)(C)C2)CC1 ZINC000171833458 496056852 /nfs/dbraw/zinc/05/68/52/496056852.db2.gz JFZMZJKHEPCGFW-UHFFFAOYSA-N 2 1 357.542 3.198 20 0 FGADMP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000177458777 496070467 /nfs/dbraw/zinc/07/04/67/496070467.db2.gz HHODVIFZYYTOOB-KRWDZBQOSA-N 2 1 357.498 3.257 20 0 FGADMP CC[C@@H](C[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000186620164 496076412 /nfs/dbraw/zinc/07/64/12/496076412.db2.gz ROPFKYGCNBFQNN-IBGZPJMESA-N 2 1 359.558 3.491 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000155957662 496118180 /nfs/dbraw/zinc/11/81/80/496118180.db2.gz MKIMKPMSDGRMEM-UHFFFAOYSA-N 2 1 357.542 3.137 20 0 FGADMP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152365545 496128090 /nfs/dbraw/zinc/12/80/90/496128090.db2.gz VXUSMXZXWAEDBQ-WBVHZDCISA-N 2 1 363.933 3.151 20 0 FGADMP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[NH+]2CCCC2)o1 ZINC000177709637 496166814 /nfs/dbraw/zinc/16/68/14/496166814.db2.gz YMZNQZVTUPHHRH-QUCCMNQESA-N 2 1 373.541 3.496 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000177886056 496239414 /nfs/dbraw/zinc/23/94/14/496239414.db2.gz YQGGPMGJHWOWEB-AWEZNQCLSA-N 2 1 355.320 3.081 20 0 FGADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C3CCOCC3)CC2)cs1 ZINC000161797627 496239641 /nfs/dbraw/zinc/23/96/41/496239641.db2.gz SIZKCCWROZSPNY-HNNXBMFYSA-N 2 1 351.560 3.322 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000152744735 496243874 /nfs/dbraw/zinc/24/38/74/496243874.db2.gz MIWFOPPXOARQRW-HLLBOEOZSA-N 2 1 366.347 3.348 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582114 496284062 /nfs/dbraw/zinc/28/40/62/496284062.db2.gz NIBMLDWLIRJZPN-TYNCELHUSA-N 2 1 358.267 3.425 20 0 FGADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(I)cc1 ZINC000156582114 496284067 /nfs/dbraw/zinc/28/40/67/496284067.db2.gz NIBMLDWLIRJZPN-TYNCELHUSA-N 2 1 358.267 3.425 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)c2)cc1 ZINC000574700340 505835463 /nfs/dbraw/zinc/83/54/63/505835463.db2.gz NVLZGFXCHLJAGN-QAPCUYQASA-N 2 1 353.466 3.259 20 0 FGADMP COc1ccc(C(=O)Nc2cccc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)c2)cc1 ZINC000574700340 505835467 /nfs/dbraw/zinc/83/54/67/505835467.db2.gz NVLZGFXCHLJAGN-QAPCUYQASA-N 2 1 353.466 3.259 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[NH+]1CC ZINC000175279471 496320691 /nfs/dbraw/zinc/32/06/91/496320691.db2.gz QCSUTTCWOYGYFG-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CCN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC000175279471 496320696 /nfs/dbraw/zinc/32/06/96/496320696.db2.gz QCSUTTCWOYGYFG-NHCUHLMSSA-N 2 1 357.542 3.231 20 0 FGADMP CC[C@@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)[N@H+](C)Cc1ccccc1 ZINC000569043671 505836991 /nfs/dbraw/zinc/83/69/91/505836991.db2.gz NSDWYVPPZZDXGJ-PMACEKPBSA-N 2 1 354.498 3.093 20 0 FGADMP CC[C@@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C)[N@@H+](C)Cc1ccccc1 ZINC000569043671 505836993 /nfs/dbraw/zinc/83/69/93/505836993.db2.gz NSDWYVPPZZDXGJ-PMACEKPBSA-N 2 1 354.498 3.093 20 0 FGADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc([S@@](C)=O)cc3)CC2)nc(C)[nH+]1 ZINC000162281731 496328352 /nfs/dbraw/zinc/32/83/52/496328352.db2.gz RIGQBLYBOVVPJO-HAWMADMCSA-N 2 1 372.538 3.150 20 0 FGADMP C[NH+](C)CCCCCCCNC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172567782 496344231 /nfs/dbraw/zinc/34/42/31/496344231.db2.gz QNOZZHZPPFGLPE-UHFFFAOYSA-N 2 1 352.567 3.158 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000172575363 496346062 /nfs/dbraw/zinc/34/60/62/496346062.db2.gz CJKCFZAVABDUSQ-FQEVSTJZSA-N 2 1 368.525 3.449 20 0 FGADMP Cn1ccnc1COc1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000172575363 496346066 /nfs/dbraw/zinc/34/60/66/496346066.db2.gz CJKCFZAVABDUSQ-FQEVSTJZSA-N 2 1 368.525 3.449 20 0 FGADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc([C@@H](C)[NH3+])cc3)CC2)cs1 ZINC000178205966 496370296 /nfs/dbraw/zinc/37/02/96/496370296.db2.gz ZDCBBHIJXYXLRA-CYBMUJFWSA-N 2 1 358.511 3.322 20 0 FGADMP COC[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162753988 496406515 /nfs/dbraw/zinc/40/65/15/496406515.db2.gz IAGCEQBHJUCHIF-NRFANRHFSA-N 2 1 371.525 3.351 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000175496361 496416119 /nfs/dbraw/zinc/41/61/19/496416119.db2.gz LZTSMGVQNFDSHG-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000175496361 496416122 /nfs/dbraw/zinc/41/61/22/496416122.db2.gz LZTSMGVQNFDSHG-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP CCC[NH+](CC)CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000175496361 496416128 /nfs/dbraw/zinc/41/61/28/496416128.db2.gz LZTSMGVQNFDSHG-SEJPIABJSA-N 2 1 372.557 3.213 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175613873 496465518 /nfs/dbraw/zinc/46/55/18/496465518.db2.gz NBWRIXDRFANIKE-GOSISDBHSA-N 2 1 364.578 3.347 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)c(C)n1 ZINC000153473226 496466978 /nfs/dbraw/zinc/46/69/78/496466978.db2.gz CELCFVGIMWTQLZ-CVEARBPZSA-N 2 1 354.498 3.165 20 0 FGADMP Cc1ncc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)c(C)n1 ZINC000153473226 496466984 /nfs/dbraw/zinc/46/69/84/496466984.db2.gz CELCFVGIMWTQLZ-CVEARBPZSA-N 2 1 354.498 3.165 20 0 FGADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175678539 496497331 /nfs/dbraw/zinc/49/73/31/496497331.db2.gz NRMCXXZMQUUWBI-FGTMMUONSA-N 2 1 364.578 3.059 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000569087224 505849400 /nfs/dbraw/zinc/84/94/00/505849400.db2.gz HDXSSXAWNSEXOV-XJKSGUPXSA-N 2 1 365.905 3.140 20 0 FGADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(Br)cc1 ZINC000578049801 505849496 /nfs/dbraw/zinc/84/94/96/505849496.db2.gz DNQRHERFAYSNTB-CQSZACIVSA-N 2 1 354.336 3.126 20 0 FGADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000580841093 505850717 /nfs/dbraw/zinc/85/07/17/505850717.db2.gz HSSZLMUJHVHOFH-MRXNPFEDSA-N 2 1 374.447 3.109 20 0 FGADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(COc2ccccc2C(F)(F)F)CC1 ZINC000580841093 505850721 /nfs/dbraw/zinc/85/07/21/505850721.db2.gz HSSZLMUJHVHOFH-MRXNPFEDSA-N 2 1 374.447 3.109 20 0 FGADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000184831762 496548852 /nfs/dbraw/zinc/54/88/52/496548852.db2.gz WSBZCAQPTKNCTH-HXUWFJFHSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2)CC1 ZINC000569095512 505851403 /nfs/dbraw/zinc/85/14/03/505851403.db2.gz RNMQRLNQESPGCA-RXVVDRJESA-N 2 1 354.494 3.242 20 0 FGADMP CC[NH+](CC)CCCC1CCN(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000571952053 505854026 /nfs/dbraw/zinc/85/40/26/505854026.db2.gz BLBMPDGXBBHFCW-PMACEKPBSA-N 2 1 364.578 3.157 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000153901952 496617547 /nfs/dbraw/zinc/61/75/47/496617547.db2.gz IEQHTYGBRBISSC-CALCHBBNSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccc(OC(F)F)c2)CC1 ZINC000153901952 496617556 /nfs/dbraw/zinc/61/75/56/496617556.db2.gz IEQHTYGBRBISSC-CALCHBBNSA-N 2 1 367.484 3.278 20 0 FGADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000574787380 505855612 /nfs/dbraw/zinc/85/56/12/505855612.db2.gz AJNDMITYUFCCDT-VQIMIIECSA-N 2 1 374.554 3.171 20 0 FGADMP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000185034386 496630930 /nfs/dbraw/zinc/63/09/30/496630930.db2.gz YPAAEZGVNNHKAC-RBUKOAKNSA-N 2 1 366.571 3.259 20 0 FGADMP CCc1cccc(OCC[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000154021236 496658415 /nfs/dbraw/zinc/65/84/15/496658415.db2.gz KLOHXVFVMBHYIE-BGYRXZFFSA-N 2 1 359.558 3.118 20 0 FGADMP CCc1cccc(OCC[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000154021236 496658421 /nfs/dbraw/zinc/65/84/21/496658421.db2.gz KLOHXVFVMBHYIE-BGYRXZFFSA-N 2 1 359.558 3.118 20 0 FGADMP COc1ccc(Cl)cc1C1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CCOCC1 ZINC000154074839 496674676 /nfs/dbraw/zinc/67/46/76/496674676.db2.gz ABDMHSDFPPGOFG-QAPCUYQASA-N 2 1 366.933 3.327 20 0 FGADMP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000166077481 496676758 /nfs/dbraw/zinc/67/67/58/496676758.db2.gz SEDWLBGJQHWAOQ-FYYLOGMGSA-N 3 1 370.585 3.114 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)c(F)c3)CC2)[C@H](C)C1 ZINC000166162522 496678280 /nfs/dbraw/zinc/67/82/80/496678280.db2.gz UVIRMCFNZBFFBO-QRWLVFNGSA-N 2 1 351.485 3.249 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC000173412329 496681744 /nfs/dbraw/zinc/68/17/44/496681744.db2.gz WNHPVHXRLBGZPV-OALUTQOASA-N 2 1 373.545 3.057 20 0 FGADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)C1 ZINC000173412329 496681746 /nfs/dbraw/zinc/68/17/46/496681746.db2.gz WNHPVHXRLBGZPV-OALUTQOASA-N 2 1 373.545 3.057 20 0 FGADMP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000173416652 496683884 /nfs/dbraw/zinc/68/38/84/496683884.db2.gz BTWJFCHXTIWBPA-IKGGRYGDSA-N 2 1 364.559 3.009 20 0 FGADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1cccc(Br)c1 ZINC000185162802 496686961 /nfs/dbraw/zinc/68/69/61/496686961.db2.gz JPZKTOXAZKAQOW-UHFFFAOYSA-N 2 1 350.260 3.079 20 0 FGADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCc2ccccc2C1 ZINC000166500408 496687673 /nfs/dbraw/zinc/68/76/73/496687673.db2.gz WBOFTFYHDXUCHE-DYESRHJHSA-N 2 1 351.494 3.030 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507010 496687763 /nfs/dbraw/zinc/68/77/63/496687763.db2.gz VVULJLDURUCGMH-DFQSSKMNSA-N 2 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166507010 496687766 /nfs/dbraw/zinc/68/77/66/496687766.db2.gz VVULJLDURUCGMH-DFQSSKMNSA-N 3 1 374.548 3.245 20 0 FGADMP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166507010 496687770 /nfs/dbraw/zinc/68/77/70/496687770.db2.gz VVULJLDURUCGMH-DFQSSKMNSA-N 3 1 374.548 3.245 20 0 FGADMP CC[N@H+]1CC[C@H]([NH2+]CCC(=O)Nc2cc(C)c(Cl)cc2OC)[C@H](C)C1 ZINC000158384627 496689485 /nfs/dbraw/zinc/68/94/85/496689485.db2.gz IDSAZKOSYNCCJJ-ZBFHGGJFSA-N 2 1 367.921 3.306 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000173436566 496692888 /nfs/dbraw/zinc/69/28/88/496692888.db2.gz FAHPWPHSZDAGHI-FQEVSTJZSA-N 2 1 369.513 3.108 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)[C@H]1CCC[NH2+]C1 ZINC000168556126 496710653 /nfs/dbraw/zinc/71/06/53/496710653.db2.gz VYYDJYRRZFXGDM-AWEZNQCLSA-N 2 1 370.324 3.074 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)CC1 ZINC000176172002 496712736 /nfs/dbraw/zinc/71/27/36/496712736.db2.gz UAOZTNJPFUTXMD-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)CC1 ZINC000176172002 496712740 /nfs/dbraw/zinc/71/27/40/496712740.db2.gz UAOZTNJPFUTXMD-HXUWFJFHSA-N 2 1 361.505 3.028 20 0 FGADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC000273183994 496733975 /nfs/dbraw/zinc/73/39/75/496733975.db2.gz HAAHBWVRYWFBPD-OAQYLSRUSA-N 2 1 357.542 3.089 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cc1N(C)C ZINC000246964943 496736898 /nfs/dbraw/zinc/73/68/98/496736898.db2.gz JBDDSZQYCCAKJH-IXDOHACOSA-N 2 1 351.510 3.432 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC[N@H+]1C ZINC000247033559 496758033 /nfs/dbraw/zinc/75/80/33/496758033.db2.gz MIWFOPPXOARQRW-BFYDXBDKSA-N 2 1 366.347 3.348 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268778389 496782778 /nfs/dbraw/zinc/78/27/78/496782778.db2.gz SHUJMHGTLLFGLW-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccnc2-n2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268778389 496782781 /nfs/dbraw/zinc/78/27/81/496782781.db2.gz SHUJMHGTLLFGLW-NQIIRXRSSA-N 2 1 361.493 3.410 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000191493960 496783012 /nfs/dbraw/zinc/78/30/12/496783012.db2.gz ZICMYJABCKIKIU-CQSZACIVSA-N 2 1 363.893 3.233 20 0 FGADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccnc1Cl ZINC000191493960 496783016 /nfs/dbraw/zinc/78/30/16/496783016.db2.gz ZICMYJABCKIKIU-CQSZACIVSA-N 2 1 363.893 3.233 20 0 FGADMP C[C@@H]([NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000247247588 496815656 /nfs/dbraw/zinc/81/56/56/496815656.db2.gz ZIWIWOOZNSGNLR-BZUAXINKSA-N 2 1 370.534 3.248 20 0 FGADMP COC[C@@H]([NH2+]C/C=C/C[NH2+][C@H](COC)c1ccc(C)o1)c1ccc(C)o1 ZINC000273558281 496838840 /nfs/dbraw/zinc/83/88/40/496838840.db2.gz ZALVXONKUXQRIG-PJHKVULZSA-N 2 1 362.470 3.300 20 0 FGADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3ccc(C[NH+]4CCCCC4)cc3)CC[C@@H]21 ZINC000268972598 496839260 /nfs/dbraw/zinc/83/92/60/496839260.db2.gz ATZFHJXLBGEYST-SFTDATJTSA-N 2 1 355.526 3.229 20 0 FGADMP C[C@@H](NC(=O)CN(C)CC[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000247352120 496843337 /nfs/dbraw/zinc/84/33/37/496843337.db2.gz GTTXMBQHSAQHCS-CRAIPNDOSA-N 2 1 351.922 3.323 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccccc1F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247564034 496889662 /nfs/dbraw/zinc/88/96/62/496889662.db2.gz RCJRPLRXKFQROJ-VQTJNVASSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247564034 496889666 /nfs/dbraw/zinc/88/96/66/496889666.db2.gz RCJRPLRXKFQROJ-VQTJNVASSA-N 2 1 372.484 3.019 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccccc1F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000247564034 496889670 /nfs/dbraw/zinc/88/96/70/496889670.db2.gz RCJRPLRXKFQROJ-VQTJNVASSA-N 2 1 372.484 3.019 20 0 FGADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000247978520 496936886 /nfs/dbraw/zinc/93/68/86/496936886.db2.gz ICVNXVNPFDQCAM-CVEARBPZSA-N 2 1 356.457 3.484 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000248036943 496946400 /nfs/dbraw/zinc/94/64/00/496946400.db2.gz RXZDXCRYJJKZMC-CPUCHLNUSA-N 2 1 373.324 3.149 20 0 FGADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3c(Cl)cccc3Cl)CC[C@@H]21 ZINC000248036943 496946404 /nfs/dbraw/zinc/94/64/04/496946404.db2.gz RXZDXCRYJJKZMC-CPUCHLNUSA-N 2 1 373.324 3.149 20 0 FGADMP CC[NH+](CC)CCOc1ccc(NC(=O)NCCCn2cc[nH+]c2C)cc1 ZINC000264640518 496951549 /nfs/dbraw/zinc/95/15/49/496951549.db2.gz MSGZAJONAPOIDK-UHFFFAOYSA-N 2 1 373.501 3.124 20 0 FGADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000195636024 496956874 /nfs/dbraw/zinc/95/68/74/496956874.db2.gz NKVGAFZQYVAJME-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000195636024 496956876 /nfs/dbraw/zinc/95/68/76/496956876.db2.gz NKVGAFZQYVAJME-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000195636024 496956881 /nfs/dbraw/zinc/95/68/81/496956881.db2.gz NKVGAFZQYVAJME-QZTJIDSGSA-N 2 1 352.567 3.061 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CCN(c3cc[nH+]c4ccccc43)CC2)CC1 ZINC000264823312 496991869 /nfs/dbraw/zinc/99/18/69/496991869.db2.gz YFDDAUIRVOFWLU-UHFFFAOYSA-N 2 1 366.509 3.005 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248393899 496993105 /nfs/dbraw/zinc/99/31/05/496993105.db2.gz FEPDYGVGYXKXEY-FCGDIQPGSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248393899 496993110 /nfs/dbraw/zinc/99/31/10/496993110.db2.gz FEPDYGVGYXKXEY-FCGDIQPGSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@@H](NC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248393899 496993115 /nfs/dbraw/zinc/99/31/15/496993115.db2.gz FEPDYGVGYXKXEY-FCGDIQPGSA-N 2 1 364.578 3.059 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248396772 496994022 /nfs/dbraw/zinc/99/40/22/496994022.db2.gz HHTBEBWYFKHURI-OTWHNJEPSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248396772 496994027 /nfs/dbraw/zinc/99/40/27/496994027.db2.gz HHTBEBWYFKHURI-OTWHNJEPSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H](NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248396772 496994032 /nfs/dbraw/zinc/99/40/32/496994032.db2.gz HHTBEBWYFKHURI-OTWHNJEPSA-N 2 1 361.574 3.410 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH+](C3CCC3)C2)C1 ZINC000248406392 496999689 /nfs/dbraw/zinc/99/96/89/496999689.db2.gz SICLVNLENVDZGT-FHWLQOOXSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)C1 ZINC000248406392 496999695 /nfs/dbraw/zinc/99/96/95/496999695.db2.gz SICLVNLENVDZGT-FHWLQOOXSA-N 2 1 364.578 3.059 20 0 FGADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000248406392 496999701 /nfs/dbraw/zinc/99/97/01/496999701.db2.gz SICLVNLENVDZGT-FHWLQOOXSA-N 2 1 364.578 3.059 20 0 FGADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248408838 497001169 /nfs/dbraw/zinc/00/11/69/497001169.db2.gz VYFWVFOZMZFIJX-MJUUVYJYSA-N 2 1 357.542 3.182 20 0 FGADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000192143480 497011374 /nfs/dbraw/zinc/01/13/74/497011374.db2.gz MLJFUNYPXWUIGN-IBGZPJMESA-N 2 1 357.498 3.106 20 0 FGADMP COc1cccc(C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C2CC2)c1 ZINC000269882442 497017816 /nfs/dbraw/zinc/01/78/16/497017816.db2.gz SMOLCNUYFSNBFD-OAQYLSRUSA-N 2 1 358.526 3.251 20 0 FGADMP COc1ccc(OCc2nc(C[NH2+]CCCn3cc[nH+]c3C)cs2)cc1 ZINC000264970505 497022995 /nfs/dbraw/zinc/02/29/95/497022995.db2.gz QNTVDYRMJBXLSF-UHFFFAOYSA-N 2 1 372.494 3.416 20 0 FGADMP Cc1cccn2c(=O)cc(CN3CCC[C@H](C[N@@H+]4CCCC[C@H]4C)C3)nc12 ZINC000265006893 497030254 /nfs/dbraw/zinc/03/02/54/497030254.db2.gz FCRJVVYWKQIOCN-MOPGFXCFSA-N 2 1 368.525 3.089 20 0 FGADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248540091 497033946 /nfs/dbraw/zinc/03/39/46/497033946.db2.gz BBQSCWIRYJGDOM-GOTSBHOMSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248540091 497033951 /nfs/dbraw/zinc/03/39/51/497033951.db2.gz BBQSCWIRYJGDOM-GOTSBHOMSA-N 2 1 352.522 3.434 20 0 FGADMP C[NH+](C[C@@H](O)CCc1ccccc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248540091 497033958 /nfs/dbraw/zinc/03/39/58/497033958.db2.gz BBQSCWIRYJGDOM-GOTSBHOMSA-N 2 1 352.522 3.434 20 0 FGADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405023 497103196 /nfs/dbraw/zinc/10/31/96/497103196.db2.gz DUVQTNRGGZBMFN-SJORKVTESA-N 2 1 374.529 3.122 20 0 FGADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000278405023 497103204 /nfs/dbraw/zinc/10/32/04/497103204.db2.gz DUVQTNRGGZBMFN-SJORKVTESA-N 2 1 374.529 3.122 20 0 FGADMP COCCC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCCCC1 ZINC000189398181 497105452 /nfs/dbraw/zinc/10/54/52/497105452.db2.gz PTOHXKSTBUZNCW-OAQYLSRUSA-N 2 1 360.542 3.330 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CC1 ZINC000192443481 497116664 /nfs/dbraw/zinc/11/66/64/497116664.db2.gz VNWVSBRZJRFMIS-HDWXEKECSA-N 2 1 350.528 3.452 20 0 FGADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000192443481 497116669 /nfs/dbraw/zinc/11/66/69/497116669.db2.gz VNWVSBRZJRFMIS-HDWXEKECSA-N 2 1 350.528 3.452 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248892337 497128085 /nfs/dbraw/zinc/12/80/85/497128085.db2.gz SGOSEKVBRZWKIX-SIKLNZKXSA-N 2 1 370.541 3.407 20 0 FGADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCO1 ZINC000278516232 497140986 /nfs/dbraw/zinc/14/09/86/497140986.db2.gz MMSCILAQVHWDGF-INIZCTEOSA-N 2 1 367.484 3.024 20 0 FGADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CCCO1 ZINC000278516232 497140992 /nfs/dbraw/zinc/14/09/92/497140992.db2.gz MMSCILAQVHWDGF-INIZCTEOSA-N 2 1 367.484 3.024 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2CNCC[N@@H+](C)C2CCCC2)CC1 ZINC000236799749 497147637 /nfs/dbraw/zinc/14/76/37/497147637.db2.gz VVGWDBIEZYRIAU-UHFFFAOYSA-N 2 1 358.574 3.183 20 0 FGADMP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN(C)C2CCCC2)CC1 ZINC000236799749 497147639 /nfs/dbraw/zinc/14/76/39/497147639.db2.gz VVGWDBIEZYRIAU-UHFFFAOYSA-N 2 1 358.574 3.183 20 0 FGADMP COC(=O)c1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)nc1 ZINC000581015030 505891409 /nfs/dbraw/zinc/89/14/09/505891409.db2.gz SVBLMOBQQDBXIZ-MRXNPFEDSA-N 2 1 373.522 3.192 20 0 FGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000249208287 497181741 /nfs/dbraw/zinc/18/17/41/497181741.db2.gz WXMWLUYFQOMFQG-AOIWGVFYSA-N 2 1 352.544 3.162 20 0 FGADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)C1CCOCC1 ZINC000249208287 497181748 /nfs/dbraw/zinc/18/17/48/497181748.db2.gz WXMWLUYFQOMFQG-AOIWGVFYSA-N 2 1 352.544 3.162 20 0 FGADMP C[N@@H+](CCN(Cc1ccccc1)C(=O)C1CC[NH2+]CC1)Cc1ccccc1 ZINC000237132943 497195810 /nfs/dbraw/zinc/19/58/10/497195810.db2.gz FQQLYBQRBYIQBK-UHFFFAOYSA-N 2 1 365.521 3.147 20 0 FGADMP C[N@H+](Cc1ccccc1)CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000237193268 497203151 /nfs/dbraw/zinc/20/31/51/497203151.db2.gz NFSLJWNDBAEBRI-UHFFFAOYSA-N 2 1 351.494 3.130 20 0 FGADMP COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237325969 497219865 /nfs/dbraw/zinc/21/98/65/497219865.db2.gz DAFXGPWVAFWDDX-SFTDATJTSA-N 2 1 367.493 3.038 20 0 FGADMP COc1ccc([C@H](CNC(=O)[C@H]([NH3+])c2ccccc2)[NH+]2CCCCC2)cc1 ZINC000237327803 497220719 /nfs/dbraw/zinc/22/07/19/497220719.db2.gz DAFXGPWVAFWDDX-LEWJYISDSA-N 2 1 367.493 3.038 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237352542 497224062 /nfs/dbraw/zinc/22/40/62/497224062.db2.gz RTCSPBHOJPFWLJ-XLIONFOSSA-N 2 1 355.526 3.067 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000237366814 497226961 /nfs/dbraw/zinc/22/69/61/497226961.db2.gz FCLRMKCQYBAIKT-CVEARBPZSA-N 2 1 354.498 3.384 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)c1ccc(C[NH3+])cc1 ZINC000237513293 497248664 /nfs/dbraw/zinc/24/86/64/497248664.db2.gz TUQBGEYCCATAHC-UTKZUKDTSA-N 2 1 351.494 3.128 20 0 FGADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192927564 497248807 /nfs/dbraw/zinc/24/88/07/497248807.db2.gz RNQKNHWVPLQKAX-PZJWPPBQSA-N 2 1 357.542 3.279 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH3+])cc2)CC[N@H+]1Cc1ccccc1 ZINC000237561790 497255973 /nfs/dbraw/zinc/25/59/73/497255973.db2.gz PLVYQKPQLVQXDU-LAUBAEHRSA-N 2 1 351.494 3.270 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)c1ccco1 ZINC000249910942 497256956 /nfs/dbraw/zinc/25/69/56/497256956.db2.gz IORUFROOSNGEQZ-UYAOXDASSA-N 2 1 357.498 3.472 20 0 FGADMP C[C@H](C1CC1)[N@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000251463666 497273271 /nfs/dbraw/zinc/27/32/71/497273271.db2.gz CYBDALPBYRHZEZ-DNVCBOLYSA-N 2 1 363.933 3.323 20 0 FGADMP C[C@H](C1CC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000251463666 497273277 /nfs/dbraw/zinc/27/32/77/497273277.db2.gz CYBDALPBYRHZEZ-DNVCBOLYSA-N 2 1 363.933 3.323 20 0 FGADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000237868541 497304513 /nfs/dbraw/zinc/30/45/13/497304513.db2.gz RMQOVOUDRSXPIR-YTQUADARSA-N 2 1 363.571 3.374 20 0 FGADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(-c3ccco3)s2)CC1 ZINC000193155442 497313785 /nfs/dbraw/zinc/31/37/85/497313785.db2.gz OWNZYXRKGKWIPD-IAGOWNOFSA-N 2 1 361.511 3.261 20 0 FGADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccccc1 ZINC000237939384 497317262 /nfs/dbraw/zinc/31/72/62/497317262.db2.gz PJFXMQSYCUEBRX-UNMCSNQZSA-N 2 1 365.521 3.147 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000189993369 497318992 /nfs/dbraw/zinc/31/89/92/497318992.db2.gz TYMHBKQFMPPDFV-RTBURBONSA-N 2 1 361.530 3.050 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)C[C@@H](O)c2ccccc2)cc1 ZINC000271485112 497360452 /nfs/dbraw/zinc/36/04/52/497360452.db2.gz JPNSUTTZTCLLQE-XUEUYAKLSA-N 2 1 365.477 3.316 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)C1 ZINC000279211248 497369329 /nfs/dbraw/zinc/36/93/29/497369329.db2.gz PDBONUZJQOWGLA-KRWDZBQOSA-N 2 1 371.525 3.220 20 0 FGADMP COC1CC[NH+](C(C)(C)CNCc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000572166084 505904963 /nfs/dbraw/zinc/90/49/63/505904963.db2.gz BAFCUVAZDJMZAJ-UHFFFAOYSA-N 2 1 358.530 3.437 20 0 FGADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261680635 497431846 /nfs/dbraw/zinc/43/18/46/497431846.db2.gz BVLXUTHAZIDDCD-OAQYLSRUSA-N 2 1 366.509 3.100 20 0 FGADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)cc1 ZINC000261680635 497431849 /nfs/dbraw/zinc/43/18/49/497431849.db2.gz BVLXUTHAZIDDCD-OAQYLSRUSA-N 2 1 366.509 3.100 20 0 FGADMP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000271830696 497463471 /nfs/dbraw/zinc/46/34/71/497463471.db2.gz QUESMYGXIZZPRE-MSOLQXFVSA-N 2 1 352.544 3.093 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000245583892 497465163 /nfs/dbraw/zinc/46/51/63/497465163.db2.gz ACPQZBWEHKAFJB-SJLPKXTDSA-N 2 1 364.534 3.015 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2cn(-c3ccccc3)nc2-c2ccncc2)CC1 ZINC000271856159 497470855 /nfs/dbraw/zinc/47/08/55/497470855.db2.gz UXLBDTHAJRTSJY-UHFFFAOYSA-N 2 1 359.477 3.286 20 0 FGADMP C[N@H+]1CC[C@H](NC(=O)NCCCCNc2ccccn2)[C@H]1c1ccccc1 ZINC000245610438 497472902 /nfs/dbraw/zinc/47/29/02/497472902.db2.gz BKGQTOPSRNKSTQ-AZUAARDMSA-N 2 1 367.497 3.018 20 0 FGADMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1 ZINC000190460163 497487336 /nfs/dbraw/zinc/48/73/36/497487336.db2.gz BZACOPOFYJIYOE-MRXNPFEDSA-N 2 1 355.511 3.053 20 0 FGADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cnc3ccccn23)C1 ZINC000190460163 497487340 /nfs/dbraw/zinc/48/73/40/497487340.db2.gz BZACOPOFYJIYOE-MRXNPFEDSA-N 2 1 355.511 3.053 20 0 FGADMP CCN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000261987054 497487453 /nfs/dbraw/zinc/48/74/53/497487453.db2.gz XMFMUNOFAGGYKW-IHPCNDPISA-N 2 1 355.526 3.060 20 0 FGADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261992469 497489352 /nfs/dbraw/zinc/48/93/52/497489352.db2.gz SMLSYUNUVOPCOD-HZPDHXFCSA-N 2 1 366.347 3.127 20 0 FGADMP CC[N@H+]1CC[C@@H](Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)[C@@H](C)C1 ZINC000245652735 497490100 /nfs/dbraw/zinc/49/01/00/497490100.db2.gz BUACBRLMAJXVIQ-PGRDOPGGSA-N 2 1 356.558 3.361 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000262004874 497491733 /nfs/dbraw/zinc/49/17/33/497491733.db2.gz NTZIXKBLEPGIJE-QFIPXVFZSA-N 2 1 351.494 3.130 20 0 FGADMP CCN(CC)C(=O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245664427 497492727 /nfs/dbraw/zinc/49/27/27/497492727.db2.gz GJZRIGNUQADAGK-WKCHPHFGSA-N 2 1 357.542 3.420 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245710060 497512459 /nfs/dbraw/zinc/51/24/59/497512459.db2.gz NAJSUWRUAOHWRS-KAOXLYBCSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245710060 497512465 /nfs/dbraw/zinc/51/24/65/497512465.db2.gz NAJSUWRUAOHWRS-KAOXLYBCSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[NH+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710060 497512471 /nfs/dbraw/zinc/51/24/71/497512471.db2.gz NAJSUWRUAOHWRS-KAOXLYBCSA-N 3 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710060 497512474 /nfs/dbraw/zinc/51/24/74/497512474.db2.gz NAJSUWRUAOHWRS-KAOXLYBCSA-N 2 1 371.569 3.009 20 0 FGADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000245710060 497512478 /nfs/dbraw/zinc/51/24/78/497512478.db2.gz NAJSUWRUAOHWRS-KAOXLYBCSA-N 2 1 371.569 3.009 20 0 FGADMP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000279703051 497514263 /nfs/dbraw/zinc/51/42/63/497514263.db2.gz JPHOSOINZFDADX-LJQANCHMSA-N 2 1 361.917 3.047 20 0 FGADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000262146453 497516026 /nfs/dbraw/zinc/51/60/26/497516026.db2.gz MVDBEPANCWSFPL-BRWVUGGUSA-N 2 1 365.315 3.394 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000193978378 497538217 /nfs/dbraw/zinc/53/82/17/497538217.db2.gz SMRSUIAXGIXQAJ-QGZVFWFLSA-N 2 1 353.304 3.137 20 0 FGADMP CCOc1c(OC)cc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000245793993 497539943 /nfs/dbraw/zinc/53/99/43/497539943.db2.gz WOLIXFJKCIRCBM-DOTOQJQBSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245793993 497539950 /nfs/dbraw/zinc/53/99/50/497539950.db2.gz WOLIXFJKCIRCBM-DOTOQJQBSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1OC ZINC000245793993 497539954 /nfs/dbraw/zinc/53/99/54/497539954.db2.gz WOLIXFJKCIRCBM-DOTOQJQBSA-N 2 1 350.503 3.265 20 0 FGADMP CCOc1c(OC)cc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000245793993 497539957 /nfs/dbraw/zinc/53/99/57/497539957.db2.gz WOLIXFJKCIRCBM-DOTOQJQBSA-N 2 1 350.503 3.265 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CN(c2ccccc2)CCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000578334212 505917662 /nfs/dbraw/zinc/91/76/62/505917662.db2.gz CZKOWRIZTIJJFT-NNMXDRDESA-N 2 1 357.542 3.134 20 0 FGADMP C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc(CC[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000272388370 497615470 /nfs/dbraw/zinc/61/54/70/497615470.db2.gz ISKBOIWIFNERMF-CTNGQTDRSA-N 2 1 370.541 3.273 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000246105503 497623383 /nfs/dbraw/zinc/62/33/83/497623383.db2.gz HLTRJFBQCNJVOW-HSALFYBXSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000246105503 497623385 /nfs/dbraw/zinc/62/33/85/497623385.db2.gz HLTRJFBQCNJVOW-HSALFYBXSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H]1C[C@H](C)C[NH+](CCCCNC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000246105503 497623391 /nfs/dbraw/zinc/62/33/91/497623391.db2.gz HLTRJFBQCNJVOW-HSALFYBXSA-N 2 1 366.594 3.260 20 0 FGADMP C[C@@H](CCNC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1CCCCC1 ZINC000194303711 497629822 /nfs/dbraw/zinc/62/98/22/497629822.db2.gz CTKZCFLBDUBYSO-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246133676 497632191 /nfs/dbraw/zinc/63/21/91/497632191.db2.gz YJYZZECPRUQSKJ-UZLBHIALSA-N 2 1 369.513 3.415 20 0 FGADMP CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246133676 497632196 /nfs/dbraw/zinc/63/21/96/497632196.db2.gz YJYZZECPRUQSKJ-UZLBHIALSA-N 2 1 369.513 3.415 20 0 FGADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(OC)c1O ZINC000272538780 497655527 /nfs/dbraw/zinc/65/55/27/497655527.db2.gz CEYSSPCXFHLFDO-QFBILLFUSA-N 2 1 370.493 3.410 20 0 FGADMP C[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1cccc(Br)c1 ZINC000581158913 505923130 /nfs/dbraw/zinc/92/31/30/505923130.db2.gz MHJFJZSMFMKTPH-INIZCTEOSA-N 2 1 368.363 3.122 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246312981 497692151 /nfs/dbraw/zinc/69/21/51/497692151.db2.gz BMJHUNASDHWWHL-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246312981 497692155 /nfs/dbraw/zinc/69/21/55/497692155.db2.gz BMJHUNASDHWWHL-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+]1CC[C@H](N(C)C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)[C@@H](C)C1 ZINC000246312981 497692161 /nfs/dbraw/zinc/69/21/61/497692161.db2.gz BMJHUNASDHWWHL-FHWLQOOXSA-N 2 1 352.567 3.013 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000268188628 497697092 /nfs/dbraw/zinc/69/70/92/497697092.db2.gz XFKJZIHMLKTMOQ-GOSISDBHSA-N 2 1 357.523 3.204 20 0 FGADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000268188628 497697096 /nfs/dbraw/zinc/69/70/96/497697096.db2.gz XFKJZIHMLKTMOQ-GOSISDBHSA-N 2 1 357.523 3.204 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000246335969 497700210 /nfs/dbraw/zinc/70/02/10/497700210.db2.gz OPOMJUHBLQAZGK-PXNSSMCTSA-N 2 1 360.546 3.153 20 0 FGADMP COC(=O)c1csc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)n1 ZINC000276979262 497706038 /nfs/dbraw/zinc/70/60/38/497706038.db2.gz YZMJPLWHCCUQKN-XJKSGUPXSA-N 2 1 359.495 3.169 20 0 FGADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccc2c(c1)COC2 ZINC000272736574 497717317 /nfs/dbraw/zinc/71/73/17/497717317.db2.gz JURRQJUNMSECQB-ZHRRBRCNSA-N 2 1 352.478 3.134 20 0 FGADMP COc1ccc([C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1C ZINC000272854475 497745397 /nfs/dbraw/zinc/74/53/97/497745397.db2.gz IGQDMQSILKNYBH-UWJYYQICSA-N 2 1 354.494 3.421 20 0 FGADMP Cc1c([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191231784 497750642 /nfs/dbraw/zinc/75/06/42/497750642.db2.gz FUROKOXQMWVRIV-BBWFWOEESA-N 2 1 350.551 3.487 20 0 FGADMP C[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000246495798 497753415 /nfs/dbraw/zinc/75/34/15/497753415.db2.gz PQFGZESOPIBGFN-LBFURVHYSA-N 2 1 355.526 3.030 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccccc1 ZINC000246531192 497765333 /nfs/dbraw/zinc/76/53/33/497765333.db2.gz VTMDOUDKKPQIHG-HLAWJBBLSA-N 2 1 374.573 3.441 20 0 FGADMP Cc1ccc([C@H](CNC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000246568707 497777129 /nfs/dbraw/zinc/77/71/29/497777129.db2.gz ZHWAWQLSNMQIHH-TYPHKJRUSA-N 2 1 372.557 3.256 20 0 FGADMP C[C@H](OC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000277229245 497782926 /nfs/dbraw/zinc/78/29/26/497782926.db2.gz OPARCIWBONVAAF-IPELMVKDSA-N 2 1 354.922 3.195 20 0 FGADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000273155910 497804599 /nfs/dbraw/zinc/80/45/99/497804599.db2.gz ARLCOJWLUJVYMT-CQSZACIVSA-N 2 1 367.484 3.212 20 0 FGADMP Cc1cccc(-c2noc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)n2)c1 ZINC000246828269 497814360 /nfs/dbraw/zinc/81/43/60/497814360.db2.gz NZTHPLRWPIHPKY-HKUYNNGSSA-N 2 1 352.482 3.494 20 0 FGADMP Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000263770858 497814462 /nfs/dbraw/zinc/81/44/62/497814462.db2.gz SUIAUQUETQQQTO-FHWLQOOXSA-N 2 1 373.541 3.143 20 0 FGADMP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000572272313 505930982 /nfs/dbraw/zinc/93/09/82/505930982.db2.gz DLWCWDWCNSTJDN-NJDAHSKKSA-N 2 1 368.525 3.242 20 0 FGADMP Clc1cccc(-c2n[nH]cc2C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000581238499 505941355 /nfs/dbraw/zinc/94/13/55/505941355.db2.gz IFJIPRKLOKKMFS-UHFFFAOYSA-N 2 1 373.932 3.036 20 0 FGADMP COCC[N@@H+](C)CC[C@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)c1ccccc1 ZINC000572360915 505949988 /nfs/dbraw/zinc/94/99/88/505949988.db2.gz QWARBZLADXEMST-UWJYYQICSA-N 2 1 369.509 3.146 20 0 FGADMP COCCn1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000284897681 497934435 /nfs/dbraw/zinc/93/44/35/497934435.db2.gz CBYXNNZGUHONQN-UHFFFAOYSA-N 2 1 356.514 3.062 20 0 FGADMP C[C@@H]1CN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC[NH+](C2CCC2)C1 ZINC000292279502 497951002 /nfs/dbraw/zinc/95/10/02/497951002.db2.gz LMRQTBDXHCLHKK-NFBKMPQASA-N 2 1 371.569 3.084 20 0 FGADMP C[C@@H]1CN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+](C2CCC2)C1 ZINC000292279502 497951006 /nfs/dbraw/zinc/95/10/06/497951006.db2.gz LMRQTBDXHCLHKK-NFBKMPQASA-N 2 1 371.569 3.084 20 0 FGADMP C[C@@H]1CN(C[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@H+](C2CCC2)C1 ZINC000292279502 497951011 /nfs/dbraw/zinc/95/10/11/497951011.db2.gz LMRQTBDXHCLHKK-NFBKMPQASA-N 2 1 371.569 3.084 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc[nH+]1 ZINC000330142563 498037667 /nfs/dbraw/zinc/03/76/67/498037667.db2.gz QRIJKZSOPIKWSA-LXZJYRNTSA-N 2 1 373.545 3.013 20 0 FGADMP CC(C)[C@@H]1OCCC[C@@H]1Nc1nc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc[nH+]1 ZINC000330142563 498037674 /nfs/dbraw/zinc/03/76/74/498037674.db2.gz QRIJKZSOPIKWSA-LXZJYRNTSA-N 2 1 373.545 3.013 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCc3cncn3C2)c1 ZINC000569579825 505969175 /nfs/dbraw/zinc/96/91/75/505969175.db2.gz ZDLNGZWSIWVWDO-FQEVSTJZSA-N 2 1 368.525 3.384 20 0 FGADMP Cc1cccc2ncnc(NCC3([NH+]4CCCCC4)CC[NH+](C)CC3)c12 ZINC000301491001 498133735 /nfs/dbraw/zinc/13/37/35/498133735.db2.gz BGUZCQZQHHIJLR-UHFFFAOYSA-N 2 1 353.514 3.300 20 0 FGADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)c(OC)c2C)CC1 ZINC000285627998 498152447 /nfs/dbraw/zinc/15/24/47/498152447.db2.gz LDNSIWPFQSABDH-SFHVURJKSA-N 2 1 363.546 3.081 20 0 FGADMP CC(C)[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650885 505989500 /nfs/dbraw/zinc/98/95/00/505989500.db2.gz PQUFFNCVUDHVKZ-OALUTQOASA-N 2 1 353.514 3.299 20 0 FGADMP CC(C)[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)c1nncn1C ZINC000578650885 505989503 /nfs/dbraw/zinc/98/95/03/505989503.db2.gz PQUFFNCVUDHVKZ-OALUTQOASA-N 2 1 353.514 3.299 20 0 FGADMP COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1Cl ZINC000292848891 498169949 /nfs/dbraw/zinc/16/99/49/498169949.db2.gz BSRODIZXQRDAHB-IBGZPJMESA-N 2 1 365.905 3.095 20 0 FGADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2c(C)nc3ccccc32)nc1 ZINC000285716960 498179446 /nfs/dbraw/zinc/17/94/46/498179446.db2.gz SSIDLPNJSQYQPC-SFHVURJKSA-N 2 1 364.449 3.191 20 0 FGADMP c1cc(C[NH+]2CCC(C3CCOCC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000575739939 505994704 /nfs/dbraw/zinc/99/47/04/505994704.db2.gz IJQKXUXHABZFMZ-UHFFFAOYSA-N 2 1 358.526 3.157 20 0 FGADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H]1c1ccccc1 ZINC000569701029 505996783 /nfs/dbraw/zinc/99/67/83/505996783.db2.gz QJBPXSUOFMEZEE-FGZHOGPDSA-N 2 1 363.505 3.458 20 0 FGADMP COc1cccc(OC)c1OCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292955720 498211208 /nfs/dbraw/zinc/21/12/08/498211208.db2.gz KYFVPMHJWCMULC-NRFANRHFSA-N 2 1 362.514 3.281 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293031219 498242474 /nfs/dbraw/zinc/24/24/74/498242474.db2.gz ROWGTYUQFUZNHY-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293031219 498242481 /nfs/dbraw/zinc/24/24/81/498242481.db2.gz ROWGTYUQFUZNHY-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP COc1ccc(Cl)cc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293031219 498242485 /nfs/dbraw/zinc/24/24/85/498242485.db2.gz ROWGTYUQFUZNHY-LJQANCHMSA-N 2 1 365.905 3.095 20 0 FGADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1)C(C)C ZINC000289708060 498258900 /nfs/dbraw/zinc/25/89/00/498258900.db2.gz BPNKXUZKZUCZHQ-NRFANRHFSA-N 2 1 357.542 3.379 20 0 FGADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000360323260 498265776 /nfs/dbraw/zinc/26/57/76/498265776.db2.gz NULHFUPBUNKSHG-TZIWHRDSSA-N 2 1 358.526 3.002 20 0 FGADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)CO[C@@H]1CCCc3ccccc31)CC2 ZINC000360323260 498265781 /nfs/dbraw/zinc/26/57/81/498265781.db2.gz NULHFUPBUNKSHG-TZIWHRDSSA-N 2 1 358.526 3.002 20 0 FGADMP Cc1cc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c2ccccc2[nH+]1 ZINC000301811642 498274042 /nfs/dbraw/zinc/27/40/42/498274042.db2.gz BPNLGLWVBFTVLZ-DFNIBXOVSA-N 2 1 350.510 3.290 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](Oc3ccc(Cl)cc3)C2)CC1 ZINC000293165267 498291264 /nfs/dbraw/zinc/29/12/64/498291264.db2.gz VDFCIGAHKDQRNM-FQEVSTJZSA-N 2 1 365.949 3.209 20 0 FGADMP CC[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@@H+](C)Cc1ccccc1 ZINC000581554740 506014043 /nfs/dbraw/zinc/01/40/43/506014043.db2.gz WKRDPDZNKKMEIX-OAQYLSRUSA-N 2 1 353.510 3.275 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(c3cccc(OC)c3)CC2)[C@@H](C)C1 ZINC000581577538 506018794 /nfs/dbraw/zinc/01/87/94/506018794.db2.gz ITWYCPSVNANLEJ-RXVVDRJESA-N 2 1 360.542 3.453 20 0 FGADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCn3ccc4cc(Cl)ccc43)C2)CC1 ZINC000290032938 498402513 /nfs/dbraw/zinc/40/25/13/498402513.db2.gz QIXBNHMFNPQTOO-IBGZPJMESA-N 2 1 360.933 3.007 20 0 FGADMP Cc1[nH+]c2ccccc2c(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000302104450 498406322 /nfs/dbraw/zinc/40/63/22/498406322.db2.gz WRNJQFLZEZXCDU-IBGZPJMESA-N 2 1 352.526 3.458 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000361718534 498422637 /nfs/dbraw/zinc/42/26/37/498422637.db2.gz OQWHVVMIUZYFSB-NZSAHSFTSA-N 2 1 354.498 3.334 20 0 FGADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCCC1 ZINC000365377688 498433546 /nfs/dbraw/zinc/43/35/46/498433546.db2.gz PVMPNRGMHMIAAJ-SFHVURJKSA-N 2 1 361.534 3.057 20 0 FGADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)C(C)(C)n1cncn1 ZINC000290294680 498499610 /nfs/dbraw/zinc/49/96/10/498499610.db2.gz YETYAZXASSMTRW-QUCCMNQESA-N 2 1 355.530 3.294 20 0 FGADMP CN1CCC([N@H+](Cc2ccccc2)Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293948612 498542265 /nfs/dbraw/zinc/54/22/65/498542265.db2.gz OVGAJBYZYLQSLO-UHFFFAOYSA-N 2 1 365.477 3.114 20 0 FGADMP CN1CCC([N@@H+](Cc2ccccc2)Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293948612 498542269 /nfs/dbraw/zinc/54/22/69/498542269.db2.gz OVGAJBYZYLQSLO-UHFFFAOYSA-N 2 1 365.477 3.114 20 0 FGADMP COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000303010537 498639219 /nfs/dbraw/zinc/63/92/19/498639219.db2.gz JXOANVZJNWLMTN-LJQANCHMSA-N 2 1 374.525 3.296 20 0 FGADMP COC(=O)c1cccc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000303010537 498639223 /nfs/dbraw/zinc/63/92/23/498639223.db2.gz JXOANVZJNWLMTN-LJQANCHMSA-N 2 1 374.525 3.296 20 0 FGADMP COc1ccc(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000365782492 498639482 /nfs/dbraw/zinc/63/94/82/498639482.db2.gz BGALZVVQYHIOCQ-UHFFFAOYSA-N 2 1 358.461 3.342 20 0 FGADMP COc1ccc(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc1F ZINC000365782492 498639492 /nfs/dbraw/zinc/63/94/92/498639492.db2.gz BGALZVVQYHIOCQ-UHFFFAOYSA-N 2 1 358.461 3.342 20 0 FGADMP C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000572852829 506067796 /nfs/dbraw/zinc/06/77/96/506067796.db2.gz OLTKBXJMLNZISP-WBVHZDCISA-N 2 1 360.527 3.239 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000303444639 498675558 /nfs/dbraw/zinc/67/55/58/498675558.db2.gz GOVFKPRCGAIJJN-SFHVURJKSA-N 2 1 366.594 3.307 20 0 FGADMP Cn1cc([C@H]2[C@@H](CNCc3csc(C(C)(C)C)n3)CCC[N@H+]2C)cn1 ZINC000363177708 498687826 /nfs/dbraw/zinc/68/78/26/498687826.db2.gz XNIZSYUYQOJCDX-RHSMWYFYSA-N 2 1 361.559 3.347 20 0 FGADMP Cn1cc([C@H]2[C@@H](C[NH2+]Cc3csc(C(C)(C)C)n3)CCCN2C)cn1 ZINC000363177708 498687829 /nfs/dbraw/zinc/68/78/29/498687829.db2.gz XNIZSYUYQOJCDX-RHSMWYFYSA-N 2 1 361.559 3.347 20 0 FGADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCOc3cccc4ccccc43)CC2)C1 ZINC000363220276 498710075 /nfs/dbraw/zinc/71/00/75/498710075.db2.gz YIBSATGJLKHLIA-OAQYLSRUSA-N 2 1 367.537 3.321 20 0 FGADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)COc1ccccc1Cl ZINC000311424424 498751173 /nfs/dbraw/zinc/75/11/73/498751173.db2.gz FQZZBEBSUQEYHA-RBUKOAKNSA-N 2 1 374.912 3.191 20 0 FGADMP COC(=O)c1cc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n(C)c1C ZINC000312251202 498758221 /nfs/dbraw/zinc/75/82/21/498758221.db2.gz AAILZDHWTQNYMO-LJQANCHMSA-N 2 1 369.509 3.122 20 0 FGADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n(C)c1C ZINC000312251202 498758226 /nfs/dbraw/zinc/75/82/26/498758226.db2.gz AAILZDHWTQNYMO-LJQANCHMSA-N 2 1 369.509 3.122 20 0 FGADMP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000283161778 498802988 /nfs/dbraw/zinc/80/29/88/498802988.db2.gz IQUMQQPIBBAERP-QESAQDPVSA-N 2 1 372.553 3.054 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000283167740 498804502 /nfs/dbraw/zinc/80/45/02/498804502.db2.gz PIDKRZBWGPDQRU-CBQOVEMMSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000283167740 498804508 /nfs/dbraw/zinc/80/45/08/498804508.db2.gz PIDKRZBWGPDQRU-CBQOVEMMSA-N 2 1 367.537 3.097 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C1 ZINC000283167740 498804512 /nfs/dbraw/zinc/80/45/12/498804512.db2.gz PIDKRZBWGPDQRU-CBQOVEMMSA-N 2 1 367.537 3.097 20 0 FGADMP c1ccc(-c2noc(CCC[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)n2)cc1 ZINC000363414144 498807184 /nfs/dbraw/zinc/80/71/84/498807184.db2.gz KPAQVXAYKKMNFQ-CEXWTWQISA-N 2 1 352.482 3.085 20 0 FGADMP Cn1cncc1CC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000298589848 498821887 /nfs/dbraw/zinc/82/18/87/498821887.db2.gz YKXMZXBDCRWNKC-HNNXBMFYSA-N 2 1 355.417 3.031 20 0 FGADMP c1cc(-c2ccc(CNc3ncnc4c3cnn4-c3cc[nH+]cc3)cc2)n[nH]1 ZINC000363506967 498852650 /nfs/dbraw/zinc/85/26/50/498852650.db2.gz PZIDANWWBSIJTE-UHFFFAOYSA-N 2 1 368.404 3.213 20 0 FGADMP CC[NH+]1CCN(c2ccc(-c3nc(C4([NH3+])CCCCC4)no3)cc2F)CC1 ZINC000570154186 506103159 /nfs/dbraw/zinc/10/31/59/506103159.db2.gz CLAZNYKFPCQWNT-UHFFFAOYSA-N 2 1 373.476 3.136 20 0 FGADMP Cc1nn(C)c(N2CCC[N@@H+](C)CC2)c1C[NH2+]Cc1cc(C)c(C)cc1C ZINC000363534480 498866029 /nfs/dbraw/zinc/86/60/29/498866029.db2.gz MFPDGCQIZULLJO-UHFFFAOYSA-N 2 1 369.557 3.085 20 0 FGADMP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(Cc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000570167441 506106317 /nfs/dbraw/zinc/10/63/17/506106317.db2.gz CWXXJJKDDOLQCC-ROUUACIJSA-N 2 1 356.514 3.143 20 0 FGADMP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000366416759 498916931 /nfs/dbraw/zinc/91/69/31/498916931.db2.gz ZHCYYFCKSLWJBD-CTNGQTDRSA-N 2 1 351.494 3.105 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CCC(CC[NH3+])CC1 ZINC000582008556 506111719 /nfs/dbraw/zinc/11/17/19/506111719.db2.gz RHAZRYMFYCMTOO-HXUWFJFHSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366485378 498947787 /nfs/dbraw/zinc/94/77/87/498947787.db2.gz VQWVOOYUAJMZCW-CXAGYDPISA-N 2 1 355.404 3.060 20 0 FGADMP O=C(c1ccc2nccn2c1)N1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000288413541 499018839 /nfs/dbraw/zinc/01/88/39/499018839.db2.gz NMPIDQYDFGPYHF-QFIPXVFZSA-N 2 1 360.461 3.073 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(C2CCC2)s1 ZINC000573140203 506127043 /nfs/dbraw/zinc/12/70/43/506127043.db2.gz FFQDPJDSPOJALA-QGZVFWFLSA-N 2 1 350.576 3.259 20 0 FGADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000366745366 499057788 /nfs/dbraw/zinc/05/77/88/499057788.db2.gz MVCQIZLJWNBCDY-UHFFFAOYSA-N 2 1 350.388 3.447 20 0 FGADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000284227739 499071796 /nfs/dbraw/zinc/07/17/96/499071796.db2.gz UKVLVBRZCYYSGY-AJSBUHFISA-N 2 1 366.505 3.242 20 0 FGADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCCc2ccc(O)cc21 ZINC000284227739 499071800 /nfs/dbraw/zinc/07/18/00/499071800.db2.gz UKVLVBRZCYYSGY-AJSBUHFISA-N 2 1 366.505 3.242 20 0 FGADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccc(F)c(F)c4)no3)C2)CC1 ZINC000366864237 499098772 /nfs/dbraw/zinc/09/87/72/499098772.db2.gz JRTHFHFLXHMMJM-UHFFFAOYSA-N 2 1 362.424 3.323 20 0 FGADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)s2)cc1 ZINC000576338417 506134540 /nfs/dbraw/zinc/13/45/40/506134540.db2.gz NSUWPFXDLJITQJ-GUYCJALGSA-N 2 1 361.511 3.156 20 0 FGADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cnc(C(C)(C)C)nc3)CC2)oc1C ZINC000284452827 499110011 /nfs/dbraw/zinc/11/00/11/499110011.db2.gz UKQCRDPLQQRZCV-UHFFFAOYSA-N 2 1 371.529 3.381 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)C12CCOCC2 ZINC000369898588 499147906 /nfs/dbraw/zinc/14/79/06/499147906.db2.gz SCPGNPIJNNSYSR-LULLPPNCSA-N 2 1 364.555 3.305 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)C12CCOCC2 ZINC000369898588 499147907 /nfs/dbraw/zinc/14/79/07/499147907.db2.gz SCPGNPIJNNSYSR-LULLPPNCSA-N 2 1 364.555 3.305 20 0 FGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367171966 499157339 /nfs/dbraw/zinc/15/73/39/499157339.db2.gz UOWHQLPWYQBMBI-RBUKOAKNSA-N 2 1 368.525 3.362 20 0 FGADMP C[C@@H](c1ncc(-c2ccccc2)o1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367171966 499157340 /nfs/dbraw/zinc/15/73/40/499157340.db2.gz UOWHQLPWYQBMBI-RBUKOAKNSA-N 2 1 368.525 3.362 20 0 FGADMP COCCC1(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CCCCC1 ZINC000372686372 499161206 /nfs/dbraw/zinc/16/12/06/499161206.db2.gz XMDLJSOPBUUPMV-HXUWFJFHSA-N 2 1 351.579 3.074 20 0 FGADMP CC(C)c1nccn1[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cccs2)C1 ZINC000369996447 499163293 /nfs/dbraw/zinc/16/32/93/499163293.db2.gz MAGRDRZWCRYYFJ-INIZCTEOSA-N 2 1 360.527 3.364 20 0 FGADMP CC(C)c1nccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cccs2)C1 ZINC000369996448 499163318 /nfs/dbraw/zinc/16/33/18/499163318.db2.gz MAGRDRZWCRYYFJ-MRXNPFEDSA-N 2 1 360.527 3.364 20 0 FGADMP O=C(c1ccccc1)N1CC[C@H](C[NH+]2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000367300901 499176316 /nfs/dbraw/zinc/17/63/16/499176316.db2.gz WHDBRKXRZLHTLA-GOSISDBHSA-N 2 1 355.526 3.145 20 0 FGADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000367346362 499185424 /nfs/dbraw/zinc/18/54/24/499185424.db2.gz KFRUWJSZVFKXTR-NRFANRHFSA-N 2 1 366.509 3.059 20 0 FGADMP CCC[C@@]1(CO)CC[NH+](CCCCC[N@@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000367369952 499189728 /nfs/dbraw/zinc/18/97/28/499189728.db2.gz JJAKQVMIRVQXIE-NHCUHLMSSA-N 2 1 354.579 3.126 20 0 FGADMP CC(C)[C@H](C)CNC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370264601 499203702 /nfs/dbraw/zinc/20/37/02/499203702.db2.gz JNHRPCUMTPHAIR-GOSISDBHSA-N 2 1 366.594 3.116 20 0 FGADMP CCCCc1nc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)cs1 ZINC000367616460 499218214 /nfs/dbraw/zinc/21/82/14/499218214.db2.gz GXOHDVDJOISVNN-SFHVURJKSA-N 2 1 350.576 3.086 20 0 FGADMP Cc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)on2)cc1 ZINC000367680391 499224112 /nfs/dbraw/zinc/22/41/12/499224112.db2.gz ARXSLYDQEVVZAG-HXUWFJFHSA-N 2 1 368.525 3.250 20 0 FGADMP CC(=O)Oc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000367888516 499241786 /nfs/dbraw/zinc/24/17/86/499241786.db2.gz XZGVAVUCKLKXEN-UHFFFAOYSA-N 2 1 353.466 3.355 20 0 FGADMP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000368124240 499266805 /nfs/dbraw/zinc/26/68/05/499266805.db2.gz QMJCYSNGCDQDLM-LJQANCHMSA-N 2 1 352.482 3.063 20 0 FGADMP CCc1ccc(CC(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)cc1 ZINC000371080899 499286972 /nfs/dbraw/zinc/28/69/72/499286972.db2.gz OEMNDAIRSNBUPN-UHFFFAOYSA-N 2 1 371.569 3.104 20 0 FGADMP CCCCN(CC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371095444 499288135 /nfs/dbraw/zinc/28/81/35/499288135.db2.gz VRKWBVCZEQYUTF-UHFFFAOYSA-N 2 1 352.567 3.014 20 0 FGADMP O=C(CC1CC[NH2+]CC1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000371270568 499304452 /nfs/dbraw/zinc/30/44/52/499304452.db2.gz GAPDDYBFGDUASW-LEWJYISDSA-N 2 1 355.526 3.032 20 0 FGADMP COCCOCc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cc1 ZINC000368550715 499306810 /nfs/dbraw/zinc/30/68/10/499306810.db2.gz JLQICPVYRDLVLW-UHFFFAOYSA-N 2 1 369.509 3.312 20 0 FGADMP C[C@H]1C[N@@H+](CCCSCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301233 499307425 /nfs/dbraw/zinc/30/74/25/499307425.db2.gz DOJPVODPKIBLOU-FPOVZHCZSA-N 2 1 361.599 3.268 20 0 FGADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(C[C@H]2c2nnc3n2CCCCC3)CC1 ZINC000371329593 499310531 /nfs/dbraw/zinc/31/05/31/499310531.db2.gz KXWNHJMXSKEQGZ-ROUUACIJSA-N 2 1 357.546 3.058 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccncn3)C2)cc1 ZINC000371486637 499333328 /nfs/dbraw/zinc/33/33/28/499333328.db2.gz YRXVUGHGHQMKJO-APWZRJJASA-N 2 1 362.481 3.290 20 0 FGADMP COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](n3ccnc3C(C)C)C2)cc1 ZINC000369266381 499385478 /nfs/dbraw/zinc/38/54/78/499385478.db2.gz NIYXHPLWSBUSGH-QGZVFWFLSA-N 2 1 356.470 3.291 20 0 FGADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000369315317 499390674 /nfs/dbraw/zinc/39/06/74/499390674.db2.gz SFPJJGSHVLGORB-QGZVFWFLSA-N 2 1 370.497 3.409 20 0 FGADMP COc1ccccc1-c1noc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000369315317 499390675 /nfs/dbraw/zinc/39/06/75/499390675.db2.gz SFPJJGSHVLGORB-QGZVFWFLSA-N 2 1 370.497 3.409 20 0 FGADMP CNC(=O)c1cccc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000372350529 499423660 /nfs/dbraw/zinc/42/36/60/499423660.db2.gz XAYSTRSENSGOEC-XMSQKQJNSA-N 2 1 365.521 3.089 20 0 FGADMP CCC[NH+]1CCC(N2CC[NH+](CCC(=O)c3ccc(C)cc3)CC2)CC1 ZINC000373449841 499470388 /nfs/dbraw/zinc/47/03/88/499470388.db2.gz XNGLJFACEUBTDI-UHFFFAOYSA-N 2 1 357.542 3.060 20 0 FGADMP CCn1ccnc1[C@@H]1CCCCN1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000373772173 499487191 /nfs/dbraw/zinc/48/71/91/499487191.db2.gz PFVHMGIECGGKRN-ROUUACIJSA-N 2 1 359.518 3.157 20 0 FGADMP C[N@@H+](CC1CCC(C(F)(F)F)CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375214353 499496164 /nfs/dbraw/zinc/49/61/64/499496164.db2.gz FPRZJJTXRVPUMA-HTWSVDAQSA-N 2 1 361.496 3.455 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378339139 499503537 /nfs/dbraw/zinc/50/35/37/499503537.db2.gz DQRFIGRWRKBDJP-KNQAVFIVSA-N 2 1 371.569 3.466 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378339139 499503539 /nfs/dbraw/zinc/50/35/39/499503539.db2.gz DQRFIGRWRKBDJP-KNQAVFIVSA-N 2 1 371.569 3.466 20 0 FGADMP CN(c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2)C1CC[NH+](C)CC1 ZINC000375301185 499504886 /nfs/dbraw/zinc/50/48/86/499504886.db2.gz FKKXFURILDWORN-JOCHJYFZSA-N 2 1 357.542 3.220 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000379623659 499541829 /nfs/dbraw/zinc/54/18/29/499541829.db2.gz IMUKAZIZDWGVPD-PTUXOGIPSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000379623659 499541830 /nfs/dbraw/zinc/54/18/30/499541830.db2.gz IMUKAZIZDWGVPD-PTUXOGIPSA-N 2 1 368.521 3.207 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2F)CC[N@@H+]1Cc1ccccc1 ZINC000379654146 499542188 /nfs/dbraw/zinc/54/21/88/499542188.db2.gz HMMJQFSPWWUINM-MISYRCLQSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2F)CC[N@H+]1Cc1ccccc1 ZINC000379654146 499542189 /nfs/dbraw/zinc/54/21/89/499542189.db2.gz HMMJQFSPWWUINM-MISYRCLQSA-N 2 1 372.484 3.208 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@H+]1Cc1ccccc1 ZINC000379660708 499542949 /nfs/dbraw/zinc/54/29/49/499542949.db2.gz CTACDIMKQYTZKU-ZNLUXHQJSA-N 2 1 363.505 3.043 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000382717833 499546214 /nfs/dbraw/zinc/54/62/14/499546214.db2.gz IHURDKMKNNCNSB-LBFURVHYSA-N 2 1 355.526 3.030 20 0 FGADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000390918564 499556309 /nfs/dbraw/zinc/55/63/09/499556309.db2.gz WFEIFYGJWIOJLA-UNMCSNQZSA-N 2 1 368.521 3.317 20 0 FGADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000390918564 499556311 /nfs/dbraw/zinc/55/63/11/499556311.db2.gz WFEIFYGJWIOJLA-UNMCSNQZSA-N 2 1 368.521 3.317 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000375880493 499564490 /nfs/dbraw/zinc/56/44/90/499564490.db2.gz MYFUACFNRBYZHU-PKOBYXMFSA-N 2 1 358.530 3.091 20 0 FGADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000375880493 499564491 /nfs/dbraw/zinc/56/44/91/499564491.db2.gz MYFUACFNRBYZHU-PKOBYXMFSA-N 2 1 358.530 3.091 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000398058005 499566093 /nfs/dbraw/zinc/56/60/93/499566093.db2.gz LSIGCNMFHVKYLH-QMMLZNLJSA-N 2 1 357.542 3.311 20 0 FGADMP COc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1SC ZINC000375902872 499567039 /nfs/dbraw/zinc/56/70/39/499567039.db2.gz GTDHSTBDHHIHRT-GOSISDBHSA-N 2 1 363.571 3.017 20 0 FGADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cccc2ccccc21 ZINC000573238162 506150531 /nfs/dbraw/zinc/15/05/31/506150531.db2.gz RFYJBIJETJUUFS-MHJFOBGBSA-N 2 1 354.494 3.186 20 0 FGADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CCCN(c2ccc(C)c[nH+]2)C1 ZINC000377044559 499656566 /nfs/dbraw/zinc/65/65/66/499656566.db2.gz HEXSHRWOHJEFBL-RTBURBONSA-N 2 1 360.546 3.233 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000573253847 506154610 /nfs/dbraw/zinc/15/46/10/506154610.db2.gz GQMXJIATOGIQEF-POGPBNCUSA-N 2 1 357.542 3.167 20 0 FGADMP CC[N@@H+](C)Cc1cccc(CNC(=O)N(C)Cc2cn3c(n2)CCCC3)c1 ZINC000377311091 499678941 /nfs/dbraw/zinc/67/89/41/499678941.db2.gz XZDKVXICEHJYNE-UHFFFAOYSA-N 2 1 369.513 3.013 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000377468067 499693827 /nfs/dbraw/zinc/69/38/27/499693827.db2.gz LTBGXTHBIUPICS-PGRDOPGGSA-N 2 1 369.553 3.230 20 0 FGADMP O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411173758 499706717 /nfs/dbraw/zinc/70/67/17/499706717.db2.gz NPPIFKFYJREEFN-JOCHJYFZSA-N 2 1 369.553 3.411 20 0 FGADMP Cc1nccn1-c1ccc([C@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680454 499718910 /nfs/dbraw/zinc/71/89/10/499718910.db2.gz QCXGNGXFBYIGCV-HRAATJIYSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680454 499718911 /nfs/dbraw/zinc/71/89/11/499718911.db2.gz QCXGNGXFBYIGCV-HRAATJIYSA-N 2 1 352.482 3.186 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2CC[C@@]3(C2)CCCN(C)C3=O)cc1 ZINC000377680454 499718912 /nfs/dbraw/zinc/71/89/12/499718912.db2.gz QCXGNGXFBYIGCV-HRAATJIYSA-N 2 1 352.482 3.186 20 0 FGADMP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[NH+](C)[C@@H]2c2cccc(Cl)c2)CC[N@H+]1C ZINC000377928308 499748785 /nfs/dbraw/zinc/74/87/85/499748785.db2.gz XKXRESZPPNNIPM-PCODUJHASA-N 2 1 363.933 3.179 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411516043 499750317 /nfs/dbraw/zinc/75/03/17/499750317.db2.gz JARHQWZWLAKXBW-HUUJSLGLSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H]([NH2+]CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411516043 499750318 /nfs/dbraw/zinc/75/03/18/499750318.db2.gz JARHQWZWLAKXBW-HUUJSLGLSA-N 2 1 361.574 3.410 20 0 FGADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2nc(-c3ccccc3)cs2)CC1 ZINC000411529915 499751598 /nfs/dbraw/zinc/75/15/98/499751598.db2.gz IRSIXJAKAJAPKF-OAHLLOKOSA-N 2 1 372.538 3.061 20 0 FGADMP COc1ccccc1/C=C/C[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000377977547 499752850 /nfs/dbraw/zinc/75/28/50/499752850.db2.gz LXMUREZACGOKOH-FNORWQNLSA-N 3 1 371.569 3.494 20 0 FGADMP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)cn1 ZINC000414130204 499762963 /nfs/dbraw/zinc/76/29/63/499762963.db2.gz WASAOJMSDYCMPB-HNNXBMFYSA-N 2 1 372.513 3.128 20 0 FGADMP C[C@H](c1ccc(F)cc1)N1CC[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C1=O ZINC000414140721 499764029 /nfs/dbraw/zinc/76/40/29/499764029.db2.gz HZWRNONRFKZYLD-LZQZEXGQSA-N 2 1 363.521 3.444 20 0 FGADMP C[C@H](C(=O)N(C)c1ccccc1)N(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000411581269 499765683 /nfs/dbraw/zinc/76/56/83/499765683.db2.gz ICAONCUESPJNRU-LMNJBCLMSA-N 2 1 366.509 3.058 20 0 FGADMP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000411581269 499765685 /nfs/dbraw/zinc/76/56/85/499765685.db2.gz ICAONCUESPJNRU-LMNJBCLMSA-N 2 1 366.509 3.058 20 0 FGADMP C[C@H](C(=O)N(C)c1ccccc1)[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000411581269 499765687 /nfs/dbraw/zinc/76/56/87/499765687.db2.gz ICAONCUESPJNRU-LMNJBCLMSA-N 2 1 366.509 3.058 20 0 FGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258380 499771797 /nfs/dbraw/zinc/77/17/97/499771797.db2.gz GAEGHCSCWBLRKT-YUMYIRISSA-N 2 1 360.542 3.318 20 0 FGADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414258380 499771799 /nfs/dbraw/zinc/77/17/99/499771799.db2.gz GAEGHCSCWBLRKT-YUMYIRISSA-N 2 1 360.542 3.318 20 0 FGADMP C[C@H](CC[NH+]1CCC[C@@H]([NH+](C)C)CC1)CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000411638563 499771977 /nfs/dbraw/zinc/77/19/77/499771977.db2.gz RZOSBRBEYAXBRI-DKUWSORSSA-N 4 1 366.638 3.235 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@H]([NH+](C)C)CC1)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000411638563 499771979 /nfs/dbraw/zinc/77/19/79/499771979.db2.gz RZOSBRBEYAXBRI-DKUWSORSSA-N 4 1 366.638 3.235 20 0 FGADMP C[C@@H](CC[NH+]1CCC[C@H]([NH+](C)C)CC1)CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000411638563 499771980 /nfs/dbraw/zinc/77/19/80/499771980.db2.gz RZOSBRBEYAXBRI-DKUWSORSSA-N 4 1 366.638 3.235 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnc(N(C)C)n2C)C1 ZINC000414294623 499775137 /nfs/dbraw/zinc/77/51/37/499775137.db2.gz WTJOAGGWBNKPSC-QGZVFWFLSA-N 2 1 355.530 3.008 20 0 FGADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(F)(F)F)c(C)c3)C2)CC1 ZINC000414378901 499783440 /nfs/dbraw/zinc/78/34/40/499783440.db2.gz BTXSKWHGHRKIHG-QGZVFWFLSA-N 2 1 355.448 3.226 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)C[C@@H]2C)CC1 ZINC000412044459 499816563 /nfs/dbraw/zinc/81/65/63/499816563.db2.gz OOTGOHZOLRBEQO-SFHVURJKSA-N 2 1 357.542 3.196 20 0 FGADMP C[C@H]1CC(C)(C)C[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000412046907 499816911 /nfs/dbraw/zinc/81/69/11/499816911.db2.gz RWCZIWUAQRHQIQ-INIZCTEOSA-N 2 1 361.555 3.294 20 0 FGADMP CCCCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414744510 499825933 /nfs/dbraw/zinc/82/59/33/499825933.db2.gz WMQJSMGALNLMTQ-QGZVFWFLSA-N 2 1 371.525 3.405 20 0 FGADMP COc1ccc(Br)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414771742 499828980 /nfs/dbraw/zinc/82/89/80/499828980.db2.gz AIXFKOZWQPDDJD-ZIAGYGMSSA-N 2 1 353.304 3.279 20 0 FGADMP C[C@@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414832822 499835752 /nfs/dbraw/zinc/83/57/52/499835752.db2.gz DYGQKNHKFHYXNG-JXFKEZNVSA-N 2 1 371.525 3.339 20 0 FGADMP [NH3+]C[C@@H]([NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1)C1CCCCC1 ZINC000414854091 499838333 /nfs/dbraw/zinc/83/83/33/499838333.db2.gz UIRCHRXKHVROAO-LJQANCHMSA-N 2 1 363.933 3.442 20 0 FGADMP C[NH2+]C[C@@H]1CCN(C(=O)Nc2cccc(Cn3cc[nH+]c3C(C)C)c2)C1 ZINC000414900757 499842891 /nfs/dbraw/zinc/84/28/91/499842891.db2.gz IWVXUPTWGKYPJN-KRWDZBQOSA-N 2 1 355.486 3.128 20 0 FGADMP C[C@]1(C[NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CCC[NH2+]C1 ZINC000414903069 499843355 /nfs/dbraw/zinc/84/33/55/499843355.db2.gz LJKVTPBRZAEFSS-KRWDZBQOSA-N 2 1 363.303 3.114 20 0 FGADMP CN(CC[N@@H+](C)C1CCN(C)CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000573288264 506161524 /nfs/dbraw/zinc/16/15/24/506161524.db2.gz SKJDXLSXLQHLKN-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1cc(C(F)(F)F)ccc1F ZINC000573288264 506161528 /nfs/dbraw/zinc/16/15/28/506161528.db2.gz SKJDXLSXLQHLKN-UHFFFAOYSA-N 2 1 361.427 3.302 20 0 FGADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc(Br)c1OC ZINC000414967816 499849989 /nfs/dbraw/zinc/84/99/89/499849989.db2.gz HPMSYXFNQWKBJV-HNNXBMFYSA-N 2 1 371.319 3.334 20 0 FGADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999920 499853528 /nfs/dbraw/zinc/85/35/28/499853528.db2.gz KVIWGJBTGSCORA-GOEBONIOSA-N 2 1 353.457 3.362 20 0 FGADMP c1csc(-c2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)s2)c1 ZINC000415057673 499859378 /nfs/dbraw/zinc/85/93/78/499859378.db2.gz RZZOLVYGTHRRFV-UHFFFAOYSA-N 2 1 362.568 3.178 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3CCCO[C@@H](C[NH3+])C3)cc2)c1 ZINC000415108134 499864615 /nfs/dbraw/zinc/86/46/15/499864615.db2.gz LTJBBJSSJQGXEI-NRFANRHFSA-N 2 1 372.465 3.046 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3CCCO[C@@H](C[NH3+])C3)cc2)c1 ZINC000415108134 499864617 /nfs/dbraw/zinc/86/46/17/499864617.db2.gz LTJBBJSSJQGXEI-NRFANRHFSA-N 2 1 372.465 3.046 20 0 FGADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124003 499866872 /nfs/dbraw/zinc/86/68/72/499866872.db2.gz LXXUIDHGLNHPSK-YADHBBJMSA-N 3 1 373.585 3.363 20 0 FGADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415124003 499866874 /nfs/dbraw/zinc/86/68/74/499866874.db2.gz LXXUIDHGLNHPSK-YADHBBJMSA-N 2 1 373.585 3.363 20 0 FGADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000415915592 499927957 /nfs/dbraw/zinc/92/79/57/499927957.db2.gz ZJYLHMGSYAFTLR-FXAWDEMLSA-N 2 1 356.514 3.277 20 0 FGADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000415918254 499928286 /nfs/dbraw/zinc/92/82/86/499928286.db2.gz FRUUXFIUQNXYAR-OAQYLSRUSA-N 2 1 366.509 3.438 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1 ZINC000415934537 499930224 /nfs/dbraw/zinc/93/02/24/499930224.db2.gz RYHMPCFZHPKAPD-UHFFFAOYSA-N 2 1 367.497 3.421 20 0 FGADMP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000415938769 499931097 /nfs/dbraw/zinc/93/10/97/499931097.db2.gz BATSCUHMQRKZHP-KRWDZBQOSA-N 2 1 366.509 3.364 20 0 FGADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415970629 499935331 /nfs/dbraw/zinc/93/53/31/499935331.db2.gz FKLOZTHZWYBXCW-QGZVFWFLSA-N 2 1 352.482 3.274 20 0 FGADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979347 499936597 /nfs/dbraw/zinc/93/65/97/499936597.db2.gz QNEHXYWMBWMUMW-LFUKPOHLSA-N 2 1 366.509 3.423 20 0 FGADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415995851 499938850 /nfs/dbraw/zinc/93/88/50/499938850.db2.gz LYNIBBLNZXNYCT-DLBZAZTESA-N 2 1 356.514 3.408 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CC1 ZINC000416008687 499940439 /nfs/dbraw/zinc/94/04/39/499940439.db2.gz MQMVHGCXCLYBGT-NRFANRHFSA-N 2 1 364.493 3.322 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)cc1 ZINC000416021077 499941701 /nfs/dbraw/zinc/94/17/01/499941701.db2.gz YJNALMGDNNOYNV-OAQYLSRUSA-N 2 1 366.509 3.438 20 0 FGADMP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000413406452 499949746 /nfs/dbraw/zinc/94/97/46/499949746.db2.gz QJNJBQILXMIQBT-PELRDEGISA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000413406452 499949747 /nfs/dbraw/zinc/94/97/47/499949747.db2.gz QJNJBQILXMIQBT-PELRDEGISA-N 2 1 372.557 3.023 20 0 FGADMP C[NH+](C)CCOc1cccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000416142061 499956782 /nfs/dbraw/zinc/95/67/82/499956782.db2.gz FMGCJYDIKQOVJC-UHFFFAOYSA-N 2 1 367.493 3.014 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417050947 499958283 /nfs/dbraw/zinc/95/82/83/499958283.db2.gz YKGIFLSYPYWOJZ-QUCCMNQESA-N 2 1 360.546 3.278 20 0 FGADMP c1[nH+]c(C2CC[NH+](CCN3CCc4ccccc43)CC2)n2c1CCCC2 ZINC000428970914 499971001 /nfs/dbraw/zinc/97/10/01/499971001.db2.gz ZYDOPLTVJCNFMY-UHFFFAOYSA-N 2 1 350.510 3.462 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000582252197 506169380 /nfs/dbraw/zinc/16/93/80/506169380.db2.gz ZAANWTAPUYTXDX-CQSZACIVSA-N 2 1 356.470 3.495 20 0 FGADMP CC[NH+]1CCC(N2CCC[N@@H+](CCCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000421370382 500029539 /nfs/dbraw/zinc/02/95/39/500029539.db2.gz IOOVMXMKPQKXLS-UHFFFAOYSA-N 2 1 371.569 3.046 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@@H+]3CC(C)(C)C[C@H]3c3ccccc3)cn2)CC1 ZINC000425371729 500087756 /nfs/dbraw/zinc/08/77/56/500087756.db2.gz MBNJRSJEIKBNLQ-FQEVSTJZSA-N 2 1 365.525 3.202 20 0 FGADMP C[NH+]1CCN(c2ncc(C[N@H+]3CC(C)(C)C[C@H]3c3ccccc3)cn2)CC1 ZINC000425371729 500087759 /nfs/dbraw/zinc/08/77/59/500087759.db2.gz MBNJRSJEIKBNLQ-FQEVSTJZSA-N 2 1 365.525 3.202 20 0 FGADMP CC[C@H]([NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1)[C@@H]1CC1(C)C ZINC000414065190 500142864 /nfs/dbraw/zinc/14/28/64/500142864.db2.gz GTXQGZAFTDTXBU-PMACEKPBSA-N 2 1 373.541 3.262 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785222 500144974 /nfs/dbraw/zinc/14/49/74/500144974.db2.gz LLCYZXOAQFBAPO-DSKINZAPSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785222 500144978 /nfs/dbraw/zinc/14/49/78/500144978.db2.gz LLCYZXOAQFBAPO-DSKINZAPSA-N 2 1 362.558 3.386 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000429785222 500144984 /nfs/dbraw/zinc/14/49/84/500144984.db2.gz LLCYZXOAQFBAPO-DSKINZAPSA-N 2 1 362.558 3.386 20 0 FGADMP COc1ccc([C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C(C)C)c(F)c1 ZINC000421830970 500161116 /nfs/dbraw/zinc/16/11/16/500161116.db2.gz CEKCZQKPKNWRHZ-NJDAHSKKSA-N 2 1 364.505 3.499 20 0 FGADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)c(F)c1 ZINC000421837032 500161910 /nfs/dbraw/zinc/16/19/10/500161910.db2.gz RVTFKJLDKAJJKC-VFNWGFHPSA-N 2 1 362.489 3.376 20 0 FGADMP CON1CCC([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000421869846 500166943 /nfs/dbraw/zinc/16/69/43/500166943.db2.gz DRWMGXBKPMXVNK-BAGYTPMASA-N 2 1 357.542 3.293 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416983525 500174845 /nfs/dbraw/zinc/17/48/45/500174845.db2.gz XARAZSFXORQLJI-DYESRHJHSA-N 2 1 370.541 3.097 20 0 FGADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000417855836 500184924 /nfs/dbraw/zinc/18/49/24/500184924.db2.gz LXIPSVAAAAILKD-RDJZCZTQSA-N 2 1 355.486 3.012 20 0 FGADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000417868773 500188099 /nfs/dbraw/zinc/18/80/99/500188099.db2.gz DBLJXIYOLNQZIK-GHTZIAJQSA-N 2 1 374.573 3.435 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000417932031 500200060 /nfs/dbraw/zinc/20/00/60/500200060.db2.gz WKYCTSXIYRBYBB-PBASOCQRSA-N 2 1 372.557 3.104 20 0 FGADMP CCCN(C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000417930878 500200099 /nfs/dbraw/zinc/20/00/99/500200099.db2.gz VCRNMLFIOXYKAS-TYPHKJRUSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+](C)C ZINC000425917329 500211850 /nfs/dbraw/zinc/21/18/50/500211850.db2.gz GSQUFBOWHSZYFT-HOTGVXAUSA-N 2 1 352.544 3.251 20 0 FGADMP C[C@H](C[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1)C[NH+](C)C ZINC000425917326 500211966 /nfs/dbraw/zinc/21/19/66/500211966.db2.gz GSQUFBOWHSZYFT-CVEARBPZSA-N 2 1 352.544 3.251 20 0 FGADMP C[N@@H+](Cc1ccc2ncccc2c1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425935914 500214126 /nfs/dbraw/zinc/21/41/26/500214126.db2.gz GIWYWBMGMWMRLS-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP CN(Cc1ccc2ncccc2c1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425935914 500214127 /nfs/dbraw/zinc/21/41/27/500214127.db2.gz GIWYWBMGMWMRLS-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP CN(Cc1ccc2ncccc2c1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425935914 500214129 /nfs/dbraw/zinc/21/41/29/500214129.db2.gz GIWYWBMGMWMRLS-QHCPKHFHSA-N 2 1 361.489 3.304 20 0 FGADMP O[C@@H](C[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1)C[NH+]1CCCC1 ZINC000425950879 500215515 /nfs/dbraw/zinc/21/55/15/500215515.db2.gz BDZPWJDITBUGKV-VQTJNVASSA-N 2 1 359.901 3.065 20 0 FGADMP C[NH2+]CCC1CCN(C(=O)NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000418037903 500218195 /nfs/dbraw/zinc/21/81/95/500218195.db2.gz DQIYIWCQGFPZAN-JOCHJYFZSA-N 2 1 372.557 3.072 20 0 FGADMP CCCN(C(=O)NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)C1CC[NH2+]CC1 ZINC000418045551 500220082 /nfs/dbraw/zinc/22/00/82/500220082.db2.gz ONSZVIIZVWPNRE-QFIPXVFZSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)CC1 ZINC000418150121 500237646 /nfs/dbraw/zinc/23/76/46/500237646.db2.gz CDXKXLLXAUJZOS-XLIONFOSSA-N 2 1 372.557 3.056 20 0 FGADMP C[NH+](C)C1CCC(NC(=O)NC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000422247186 500240990 /nfs/dbraw/zinc/24/09/90/500240990.db2.gz VVHTXNXWANDENH-UHFFFAOYSA-N 2 1 360.546 3.069 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430595468 500260450 /nfs/dbraw/zinc/26/04/50/500260450.db2.gz MFPKIHKHZOVDRS-UEXGIBASSA-N 2 1 365.521 3.340 20 0 FGADMP C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430595468 500260451 /nfs/dbraw/zinc/26/04/51/500260451.db2.gz MFPKIHKHZOVDRS-UEXGIBASSA-N 2 1 365.521 3.340 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598846 500260947 /nfs/dbraw/zinc/26/09/47/500260947.db2.gz UKNHYQVDIXTAOK-NWZZKEMCSA-N 2 1 353.510 3.465 20 0 FGADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc3ccccc3c2)C1 ZINC000430598846 500260949 /nfs/dbraw/zinc/26/09/49/500260949.db2.gz UKNHYQVDIXTAOK-NWZZKEMCSA-N 2 1 353.510 3.465 20 0 FGADMP CC[N@H+]1CC[C@H](N(C)C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000418325642 500262555 /nfs/dbraw/zinc/26/25/55/500262555.db2.gz JKKXGOQLYHJPQB-AHRSYUTCSA-N 2 1 360.546 3.182 20 0 FGADMP CCC([NH3+])(CC)CNC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000418429712 500275124 /nfs/dbraw/zinc/27/51/24/500275124.db2.gz SMTWLQFEFLLAGL-KRWDZBQOSA-N 2 1 352.567 3.190 20 0 FGADMP C[C@@H](CC(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CC[NH2+]CC1 ZINC000430796370 500286968 /nfs/dbraw/zinc/28/69/68/500286968.db2.gz KICJVVBWNWPGPK-RCCFBDPRSA-N 2 1 373.541 3.260 20 0 FGADMP COc1cccc(OC)c1Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000422725485 500290272 /nfs/dbraw/zinc/29/02/72/500290272.db2.gz YBKYFQKRHDRTTM-SJPCQFCGSA-N 2 1 369.465 3.264 20 0 FGADMP CCN1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422741478 500293271 /nfs/dbraw/zinc/29/32/71/500293271.db2.gz OLDMEYZHCHKJBX-LRYGQEGESA-N 2 1 362.537 3.136 20 0 FGADMP COc1ccc([C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422768528 500295885 /nfs/dbraw/zinc/29/58/85/500295885.db2.gz TXEGWROBHRZMMK-PUHATCMVSA-N 2 1 365.521 3.352 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000422797814 500298813 /nfs/dbraw/zinc/29/88/13/500298813.db2.gz OOOYTYJOAOCRHY-RCZSKKKRSA-N 2 1 355.526 3.096 20 0 FGADMP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC000422797814 500298815 /nfs/dbraw/zinc/29/88/15/500298815.db2.gz OOOYTYJOAOCRHY-RCZSKKKRSA-N 2 1 355.526 3.096 20 0 FGADMP CN(C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000418663378 500304043 /nfs/dbraw/zinc/30/40/43/500304043.db2.gz GQKFRHJRLPQKQX-ZJOUEHCJSA-N 2 1 372.557 3.058 20 0 FGADMP C[C@H](CCCC[NH3+])NC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000418675901 500306112 /nfs/dbraw/zinc/30/61/12/500306112.db2.gz ROFZKRSLZASBEJ-GIVPXCGWSA-N 2 1 372.557 3.200 20 0 FGADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Oc2ccccc2)C1 ZINC000430935272 500309765 /nfs/dbraw/zinc/30/97/65/500309765.db2.gz SNKZSPUHYIOWKI-KRWDZBQOSA-N 2 1 353.466 3.349 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000422887306 500310782 /nfs/dbraw/zinc/31/07/82/500310782.db2.gz AZAUFJDTTVGARK-WKZKVMAPSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422887306 500310785 /nfs/dbraw/zinc/31/07/85/500310785.db2.gz AZAUFJDTTVGARK-WKZKVMAPSA-N 2 1 371.569 3.021 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000422887306 500310788 /nfs/dbraw/zinc/31/07/88/500310788.db2.gz AZAUFJDTTVGARK-WKZKVMAPSA-N 2 1 371.569 3.021 20 0 FGADMP C[NH2+]CC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3C)n2)CC1 ZINC000430945128 500311263 /nfs/dbraw/zinc/31/12/63/500311263.db2.gz PJWDDMFVMYDLML-UHFFFAOYSA-N 2 1 372.538 3.064 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(N[C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422897428 500313007 /nfs/dbraw/zinc/31/30/07/500313007.db2.gz JREZMMYBTGDTHI-QGZVFWFLSA-N 2 1 352.526 3.472 20 0 FGADMP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1 ZINC000422904385 500313792 /nfs/dbraw/zinc/31/37/92/500313792.db2.gz XHCKJFLTUPDLGG-MJGOQNOKSA-N 2 1 360.546 3.325 20 0 FGADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000422904707 500314829 /nfs/dbraw/zinc/31/48/29/500314829.db2.gz XYAFVGQQOPQCJP-XWIAVFTESA-N 2 1 366.383 3.180 20 0 FGADMP CC[N@@H+](CCC1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1)CC1CC1 ZINC000418760898 500319585 /nfs/dbraw/zinc/31/95/85/500319585.db2.gz FKHNUFPYFMANTK-HXUWFJFHSA-N 2 1 364.578 3.062 20 0 FGADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cc2)C1 ZINC000431017248 500323880 /nfs/dbraw/zinc/32/38/80/500323880.db2.gz OQHZYMLLJWHGEE-UTKZUKDTSA-N 2 1 367.493 3.088 20 0 FGADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000422979812 500326745 /nfs/dbraw/zinc/32/67/45/500326745.db2.gz KJIKTPXHKUMHQN-KDOFPFPSSA-N 2 1 370.884 3.481 20 0 FGADMP CC1(C)[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@@H]1OCc1ccccc1 ZINC000423047809 500334888 /nfs/dbraw/zinc/33/48/88/500334888.db2.gz HDNRBWKOUNHCIT-QSUVIHHLSA-N 2 1 358.526 3.117 20 0 FGADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423062039 500337455 /nfs/dbraw/zinc/33/74/55/500337455.db2.gz MGUFDCCOAHWKBS-OWCLPIDISA-N 2 1 353.304 3.468 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)cc1Cl ZINC000426955965 500338989 /nfs/dbraw/zinc/33/89/89/500338989.db2.gz SVVPJXLEIANQHW-MRXNPFEDSA-N 2 1 351.922 3.137 20 0 FGADMP CCC[N@@H+](C)[C@H](CN[C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104674 500343332 /nfs/dbraw/zinc/34/33/32/500343332.db2.gz MKHNCYONXXCRCG-UTRMSSBJSA-N 2 1 353.938 3.065 20 0 FGADMP CCCN(C)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])c1ccc(Cl)cc1 ZINC000423104674 500343336 /nfs/dbraw/zinc/34/33/36/500343336.db2.gz MKHNCYONXXCRCG-UTRMSSBJSA-N 2 1 353.938 3.065 20 0 FGADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(I)cc1Cl ZINC000423104785 500343461 /nfs/dbraw/zinc/34/34/61/500343461.db2.gz YPGDUTLYSAIWGT-BDAKNGLRSA-N 2 1 352.647 3.160 20 0 FGADMP CN(CCC[N@H+](C)Cc1cc(-c2ccccc2Cl)on1)CC[NH+](C)C ZINC000419272134 500348331 /nfs/dbraw/zinc/34/83/31/500348331.db2.gz GFWFLWUZIZRREU-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP CN(CCC[N@@H+](C)Cc1cc(-c2ccccc2Cl)on1)CC[NH+](C)C ZINC000419272134 500348333 /nfs/dbraw/zinc/34/83/33/500348333.db2.gz GFWFLWUZIZRREU-UHFFFAOYSA-N 2 1 364.921 3.310 20 0 FGADMP Clc1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1Cl ZINC000423157968 500350112 /nfs/dbraw/zinc/35/01/12/500350112.db2.gz NEONZZGFOSWQRU-XYPHTWIQSA-N 2 1 359.297 3.119 20 0 FGADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2Cc2cc(F)ccc2F)CC1 ZINC000419304280 500351088 /nfs/dbraw/zinc/35/10/88/500351088.db2.gz ULIALPFEARVECH-FQEVSTJZSA-N 2 1 365.512 3.388 20 0 FGADMP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000423176840 500351792 /nfs/dbraw/zinc/35/17/92/500351792.db2.gz ICFHFKLXTOZDSX-INIZCTEOSA-N 2 1 367.559 3.029 20 0 FGADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000423181393 500352617 /nfs/dbraw/zinc/35/26/17/500352617.db2.gz CKMASUHUENTHLN-LAUBAEHRSA-N 2 1 357.473 3.458 20 0 FGADMP C[C@H](NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192424 500353641 /nfs/dbraw/zinc/35/36/41/500353641.db2.gz VGWQZPNBDNULGP-SIKLNZKXSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@H]([NH2+]CCCNCc1cccnc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423192424 500353644 /nfs/dbraw/zinc/35/36/44/500353644.db2.gz VGWQZPNBDNULGP-SIKLNZKXSA-N 2 1 352.526 3.062 20 0 FGADMP C[C@H]([NH2+]CCCNCc1cccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423192424 500353647 /nfs/dbraw/zinc/35/36/47/500353647.db2.gz VGWQZPNBDNULGP-SIKLNZKXSA-N 2 1 352.526 3.062 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)CC1 ZINC000419331545 500354632 /nfs/dbraw/zinc/35/46/32/500354632.db2.gz CYGCMRDOOKLUQF-GBESFXJTSA-N 2 1 357.542 3.052 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000427152501 500359732 /nfs/dbraw/zinc/35/97/32/500359732.db2.gz KEMIVMLDPKVOPG-QUCCMNQESA-N 2 1 357.542 3.278 20 0 FGADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(Br)cc1Br ZINC000423296476 500362364 /nfs/dbraw/zinc/36/23/64/500362364.db2.gz GZJCLBSGRLJZQE-RKDXNWHRSA-N 2 1 350.098 3.457 20 0 FGADMP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423301041 500362723 /nfs/dbraw/zinc/36/27/23/500362723.db2.gz FEKPSDJUTNSKOS-WOJBJXKFSA-N 2 1 351.494 3.103 20 0 FGADMP Cc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000427232824 500371357 /nfs/dbraw/zinc/37/13/57/500371357.db2.gz XIGGYFLVKATCFV-HXUWFJFHSA-N 2 1 370.541 3.404 20 0 FGADMP Cc1cc(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)cc(N2CCCC2)[nH+]1 ZINC000427232824 500371359 /nfs/dbraw/zinc/37/13/59/500371359.db2.gz XIGGYFLVKATCFV-HXUWFJFHSA-N 2 1 370.541 3.404 20 0 FGADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@H]4C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423421787 500373625 /nfs/dbraw/zinc/37/36/25/500373625.db2.gz BAUAEZGUJKIVAE-XZCBWCRCSA-N 3 1 353.554 3.265 20 0 FGADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423444818 500375372 /nfs/dbraw/zinc/37/53/72/500375372.db2.gz XHGBFZJMZRHDMF-BMXMUORJSA-N 3 1 353.554 3.407 20 0 FGADMP c1ccc(CN2CC[C@H]([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423444818 500375373 /nfs/dbraw/zinc/37/53/73/500375373.db2.gz XHGBFZJMZRHDMF-BMXMUORJSA-N 2 1 353.554 3.407 20 0 FGADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427274248 500376219 /nfs/dbraw/zinc/37/62/19/500376219.db2.gz LJFGVDVAHCXIAH-RTBURBONSA-N 2 1 357.542 3.315 20 0 FGADMP COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423490280 500378732 /nfs/dbraw/zinc/37/87/32/500378732.db2.gz HQOOJLQCBWXCHQ-LEWJYISDSA-N 2 1 358.457 3.086 20 0 FGADMP CC1(C)C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2cc(Br)ccc21 ZINC000423493257 500378767 /nfs/dbraw/zinc/37/87/67/500378767.db2.gz PTYYDRXQPBQFDB-BBRMVZONSA-N 2 1 353.304 3.140 20 0 FGADMP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCC2 ZINC000423493204 500378845 /nfs/dbraw/zinc/37/88/45/500378845.db2.gz POMIAQVRBBDCSS-NVXWUHKLSA-N 2 1 353.304 3.185 20 0 FGADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OCCC ZINC000423506634 500379843 /nfs/dbraw/zinc/37/98/43/500379843.db2.gz HJTGXNMXPRWVDH-SJLPKXTDSA-N 2 1 350.503 3.293 20 0 FGADMP CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576582223 506192069 /nfs/dbraw/zinc/19/20/69/506192069.db2.gz VEVUYXOXRHEWHC-SOVGHPHASA-N 2 1 367.896 3.120 20 0 FGADMP CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000576582223 506192072 /nfs/dbraw/zinc/19/20/72/506192072.db2.gz VEVUYXOXRHEWHC-SOVGHPHASA-N 2 1 367.896 3.120 20 0 FGADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000423525889 500382466 /nfs/dbraw/zinc/38/24/66/500382466.db2.gz YSXPPDQSGNAHPY-UHYCVJNDSA-N 2 1 351.485 3.468 20 0 FGADMP COc1ccc(C[N@H+]2CCCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)CC2)cc1 ZINC000423731420 500397595 /nfs/dbraw/zinc/39/75/95/500397595.db2.gz NZTVRFDUTQNOKQ-QGZVFWFLSA-N 2 1 367.493 3.063 20 0 FGADMP CC(C)[N@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675271 500406436 /nfs/dbraw/zinc/40/64/36/500406436.db2.gz XIYJVPGGFVKKBZ-CTNGQTDRSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675271 500406439 /nfs/dbraw/zinc/40/64/39/500406439.db2.gz XIYJVPGGFVKKBZ-CTNGQTDRSA-N 2 1 372.557 3.165 20 0 FGADMP CC(C)[NH+]1CCCN(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000431675271 500406441 /nfs/dbraw/zinc/40/64/41/500406441.db2.gz XIYJVPGGFVKKBZ-CTNGQTDRSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000423828929 500407868 /nfs/dbraw/zinc/40/78/68/500407868.db2.gz SHJLJPLLBLXSBQ-VTHDOGFWSA-N 2 1 355.526 3.030 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423831427 500408408 /nfs/dbraw/zinc/40/84/08/500408408.db2.gz QYOFDZHQSFNPOR-NUDXDXSLSA-N 2 1 367.484 3.224 20 0 FGADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)[C@@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000423831427 500408410 /nfs/dbraw/zinc/40/84/10/500408410.db2.gz QYOFDZHQSFNPOR-NUDXDXSLSA-N 2 1 367.484 3.224 20 0 FGADMP CC(C)COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000570551799 506193886 /nfs/dbraw/zinc/19/38/86/506193886.db2.gz RBOOCEOYPDHANQ-CBQGHPETSA-N 2 1 371.569 3.464 20 0 FGADMP CC(C)COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000570551799 506193888 /nfs/dbraw/zinc/19/38/88/506193888.db2.gz RBOOCEOYPDHANQ-CBQGHPETSA-N 2 1 371.569 3.464 20 0 FGADMP C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423868335 500414331 /nfs/dbraw/zinc/41/43/31/500414331.db2.gz NDELAXKEACJMLV-CSODHUTKSA-N 2 1 351.494 3.347 20 0 FGADMP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2CCC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000423899460 500417494 /nfs/dbraw/zinc/41/74/94/500417494.db2.gz JETMBHPCQBOLFD-SFHLNBCPSA-N 2 1 357.542 3.183 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423912566 500418503 /nfs/dbraw/zinc/41/85/03/500418503.db2.gz WERLGGJKKDGBDJ-BVOGOJNSSA-N 2 1 357.542 3.311 20 0 FGADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CCS2 ZINC000427697106 500421971 /nfs/dbraw/zinc/42/19/71/500421971.db2.gz MFFGWABRSQLTBN-AEFFLSMTSA-N 2 1 361.555 3.017 20 0 FGADMP [NH3+]C[C@H](NC(=O)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)C1CCCC1 ZINC000423969510 500426201 /nfs/dbraw/zinc/42/62/01/500426201.db2.gz VTIUWZZTKGWYAI-MJGOQNOKSA-N 2 1 358.530 3.127 20 0 FGADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000431862019 500435966 /nfs/dbraw/zinc/43/59/66/500435966.db2.gz WQJMWMCVOYOYGJ-BZSNNMDCSA-N 2 1 364.534 3.082 20 0 FGADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420319978 500440771 /nfs/dbraw/zinc/44/07/71/500440771.db2.gz PUEKPSJIGNHHDJ-WOJBJXKFSA-N 2 1 359.539 3.307 20 0 FGADMP COc1ccc(-c2noc([C@H](C)[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420326410 500441864 /nfs/dbraw/zinc/44/18/64/500441864.db2.gz JXCNZIWXSBAQIV-BHYGNILZSA-N 2 1 356.470 3.128 20 0 FGADMP Brc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420328488 500442890 /nfs/dbraw/zinc/44/28/90/500442890.db2.gz ZOMPNQJZNVYGQG-YOEHRIQHSA-N 2 1 353.304 3.212 20 0 FGADMP Brc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420338347 500444242 /nfs/dbraw/zinc/44/42/42/500444242.db2.gz XUYGNTUYAMQKHA-CABCVRRESA-N 2 1 353.304 3.149 20 0 FGADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346474 500445220 /nfs/dbraw/zinc/44/52/20/500445220.db2.gz YJFQMIPRMANHSQ-UXHICEINSA-N 2 1 357.542 3.135 20 0 FGADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000420345010 500445777 /nfs/dbraw/zinc/44/57/77/500445777.db2.gz VOBDQJCNHDXNJM-CHWSQXEVSA-N 2 1 356.297 3.253 20 0 FGADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1c(Cl)cccc1Cl ZINC000420355242 500447280 /nfs/dbraw/zinc/44/72/80/500447280.db2.gz CEESXCXMLJLBCS-QGZVFWFLSA-N 2 1 356.297 3.398 20 0 FGADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc(F)cc(Br)c3)CC2)C1 ZINC000420379587 500450957 /nfs/dbraw/zinc/45/09/57/500450957.db2.gz BFPVKEHMNXFKEJ-IRXDYDNUSA-N 2 1 371.294 3.307 20 0 FGADMP [NH3+]C[C@@H]([NH2+]CCCCCn1nnc(-c2ccccc2)n1)C1CCCCC1 ZINC000420379699 500451524 /nfs/dbraw/zinc/45/15/24/500451524.db2.gz XZIXHSIQYYTQMM-LJQANCHMSA-N 2 1 356.518 3.008 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407854 500456979 /nfs/dbraw/zinc/45/69/79/500456979.db2.gz VOZMQQDRIQUFPM-SFTDATJTSA-N 2 1 357.542 3.198 20 0 FGADMP CCCN(Cc1ccc(C)cc1)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407854 500456981 /nfs/dbraw/zinc/45/69/81/500456981.db2.gz VOZMQQDRIQUFPM-SFTDATJTSA-N 2 1 357.542 3.198 20 0 FGADMP CCc1nc2sccc2c(N2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000420631125 500480161 /nfs/dbraw/zinc/48/01/61/500480161.db2.gz USYRXGZKDPMFEI-UHFFFAOYSA-N 2 1 373.570 3.250 20 0 FGADMP CCc1nc2sccc2c(N2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)n1 ZINC000420631125 500480162 /nfs/dbraw/zinc/48/01/62/500480162.db2.gz USYRXGZKDPMFEI-UHFFFAOYSA-N 2 1 373.570 3.250 20 0 FGADMP C[C@H]1CC2(C[N@H+]1[C@@H]1CCN(c3ccc(Cl)c(F)c3)C1=O)CC[NH2+]CC2 ZINC000424287031 500481649 /nfs/dbraw/zinc/48/16/49/500481649.db2.gz IFDGZFLLFPDBCT-SUMWQHHRSA-N 2 1 365.880 3.048 20 0 FGADMP C[C@@H](NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1cccc2ccccc21 ZINC000424288090 500481693 /nfs/dbraw/zinc/48/16/93/500481693.db2.gz KCTRYLXNUUNCGL-ZWKOTPCHSA-N 2 1 365.521 3.481 20 0 FGADMP Cc1ccc([C@H](NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)C2CC2)cc1 ZINC000424287646 500481901 /nfs/dbraw/zinc/48/19/01/500481901.db2.gz JIOMECSGSAPMEE-UTKZUKDTSA-N 2 1 355.526 3.026 20 0 FGADMP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297562 500483044 /nfs/dbraw/zinc/48/30/44/500483044.db2.gz SXUMLTSEGJHPIE-DOTOQJQBSA-N 2 1 361.555 3.048 20 0 FGADMP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297565 500483221 /nfs/dbraw/zinc/48/32/21/500483221.db2.gz SXUMLTSEGJHPIE-RDJZCZTQSA-N 2 1 361.555 3.048 20 0 FGADMP C[C@H]1CC2(C[N@H+]1CCC(=O)N[C@@H]1CCCc3ccccc31)CC[NH2+]CC2 ZINC000424301160 500483595 /nfs/dbraw/zinc/48/35/95/500483595.db2.gz XHHLCPNPYQRNCE-FXAWDEMLSA-N 2 1 355.526 3.034 20 0 FGADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[NH+]2C)cc1 ZINC000420776443 500497929 /nfs/dbraw/zinc/49/79/29/500497929.db2.gz FTBMQRJJZKXFQJ-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000420776443 500497932 /nfs/dbraw/zinc/49/79/32/500497932.db2.gz FTBMQRJJZKXFQJ-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP C[C@H]1CCCC[NH+]1Cc1ccc(CNC(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000420776443 500497936 /nfs/dbraw/zinc/49/79/36/500497936.db2.gz FTBMQRJJZKXFQJ-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1 ZINC000424416314 500500083 /nfs/dbraw/zinc/50/00/83/500500083.db2.gz LHPCFXWZRGCIRA-PZJWPPBQSA-N 2 1 364.493 3.144 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H](OCC3CC3)C2)CC1 ZINC000428383258 500502881 /nfs/dbraw/zinc/50/28/81/500502881.db2.gz UWNQAZUHBNTGSN-OAQYLSRUSA-N 2 1 357.542 3.220 20 0 FGADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000424428777 500502923 /nfs/dbraw/zinc/50/29/23/500502923.db2.gz UVTYCFPNHQZICB-FXAWDEMLSA-N 2 1 366.509 3.486 20 0 FGADMP C[C@H]1C[C@H](NC(=O)NC2CCC([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000420797166 500503205 /nfs/dbraw/zinc/50/32/05/500503205.db2.gz GQVDZBGHSZIZES-RCKXYERXSA-N 2 1 372.557 3.212 20 0 FGADMP C[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000420888837 500522965 /nfs/dbraw/zinc/52/29/65/500522965.db2.gz HMPDPBQEMWVRQB-KMFTYDHNSA-N 2 1 372.557 3.023 20 0 FGADMP FC1(c2cccnc2)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420959172 500541490 /nfs/dbraw/zinc/54/14/90/500541490.db2.gz FYCIRZKEGCHGKA-UHFFFAOYSA-N 2 1 369.484 3.375 20 0 FGADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428866937 500568250 /nfs/dbraw/zinc/56/82/50/500568250.db2.gz LAOQKLDCGAZYKI-KRWDZBQOSA-N 2 1 371.481 3.292 20 0 FGADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2nc3ccc(F)cc3s2)C1 ZINC000428866937 500568251 /nfs/dbraw/zinc/56/82/51/500568251.db2.gz LAOQKLDCGAZYKI-KRWDZBQOSA-N 2 1 371.481 3.292 20 0 FGADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442625766 500605433 /nfs/dbraw/zinc/60/54/33/500605433.db2.gz OXOCPLRBKYUSDW-MOPGFXCFSA-N 2 1 364.578 3.014 20 0 FGADMP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC2(CCC2)C1 ZINC000433057153 500615598 /nfs/dbraw/zinc/61/55/98/500615598.db2.gz GEBXHJNSBSQFAS-PCCBWWKXSA-N 2 1 354.538 3.429 20 0 FGADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000447532029 500618499 /nfs/dbraw/zinc/61/84/99/500618499.db2.gz UIFTXHHYZHQSED-HXUWFJFHSA-N 2 1 358.482 3.404 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433085252 500622769 /nfs/dbraw/zinc/62/27/69/500622769.db2.gz UDXSEEUTEPPFMZ-IDJJCAIYSA-N 2 1 374.569 3.269 20 0 FGADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cn(-c3cccc(Cl)c3Cl)nn2)C1 ZINC000442899683 500644181 /nfs/dbraw/zinc/64/41/81/500644181.db2.gz KPMZVCRCVVSKBK-GFCCVEGCSA-N 2 1 354.285 3.135 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573564315 506212507 /nfs/dbraw/zinc/21/25/07/506212507.db2.gz DIMVJCONAZRGBP-LAVFITLUSA-N 2 1 355.482 3.011 20 0 FGADMP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000573564315 506212509 /nfs/dbraw/zinc/21/25/09/506212509.db2.gz DIMVJCONAZRGBP-LAVFITLUSA-N 2 1 355.482 3.011 20 0 FGADMP C[C@H]1CC[N@@H+](CCOc2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cc2)C1 ZINC000448235575 500737154 /nfs/dbraw/zinc/73/71/54/500737154.db2.gz YUQMQFADIXRUHY-UWJYYQICSA-N 2 1 367.493 3.436 20 0 FGADMP C[C@H](NC(=O)NC[C@H]1[NH+](C)CCCC1(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000448252164 500739201 /nfs/dbraw/zinc/73/92/01/500739201.db2.gz LZHVGDACBGMKDT-JENIJYKNSA-N 2 1 364.578 3.059 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574985 500740402 /nfs/dbraw/zinc/74/04/02/500740402.db2.gz GCHGMHCHOGGWFQ-LESCRADOSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574985 500740404 /nfs/dbraw/zinc/74/04/04/500740404.db2.gz GCHGMHCHOGGWFQ-LESCRADOSA-N 2 1 358.448 3.271 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2ccccc2C(F)(F)F)[C@@H](C)C1 ZINC000443574985 500740406 /nfs/dbraw/zinc/74/04/06/500740406.db2.gz GCHGMHCHOGGWFQ-LESCRADOSA-N 2 1 358.448 3.271 20 0 FGADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000438159868 500747799 /nfs/dbraw/zinc/74/77/99/500747799.db2.gz UMDBZKIEPNYZOT-AZUAARDMSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000438159868 500747803 /nfs/dbraw/zinc/74/78/03/500747803.db2.gz UMDBZKIEPNYZOT-AZUAARDMSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000438159868 500747806 /nfs/dbraw/zinc/74/78/06/500747806.db2.gz UMDBZKIEPNYZOT-AZUAARDMSA-N 2 1 364.578 3.157 20 0 FGADMP C[NH+](C)CCN(C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)C1CCCC1 ZINC000438327012 500770160 /nfs/dbraw/zinc/77/01/60/500770160.db2.gz QODZDFCNAUFUPD-FQEVSTJZSA-N 2 1 364.578 3.299 20 0 FGADMP CC[N@@H+](C)CCNC(=O)[C@@H](c1c(F)cccc1Cl)N1CCCCC1 ZINC000433984349 500776048 /nfs/dbraw/zinc/77/60/48/500776048.db2.gz HIPDKLBDDNAVOV-QGZVFWFLSA-N 2 1 355.885 3.074 20 0 FGADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443971852 500785299 /nfs/dbraw/zinc/78/52/99/500785299.db2.gz WGPAAEKRIIHXRI-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)cc2OCc2cccnc2)C1 ZINC000443971852 500785303 /nfs/dbraw/zinc/78/53/03/500785303.db2.gz WGPAAEKRIIHXRI-GOSISDBHSA-N 2 1 369.509 3.491 20 0 FGADMP CC1(C)CCC[N@@H+](CCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000444625302 500869157 /nfs/dbraw/zinc/86/91/57/500869157.db2.gz ZSEIKFPCIMXGOU-UHFFFAOYSA-N 2 1 352.482 3.099 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N1[C@@H]2CC[C@H]1C[N@@H+](CC)CC2)c1ccccc1 ZINC000439253815 500875032 /nfs/dbraw/zinc/87/50/32/500875032.db2.gz BREWKAUWIWRUQI-HKBOAZHASA-N 2 1 372.557 3.338 20 0 FGADMP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000434782004 500893774 /nfs/dbraw/zinc/89/37/74/500893774.db2.gz HKEYJDSHSNYJRA-UXPWSPDFSA-N 2 1 357.542 3.298 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000439789881 500939405 /nfs/dbraw/zinc/93/94/05/500939405.db2.gz RWNJGMSJDZMMRA-YFVAEKQCSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789881 500939409 /nfs/dbraw/zinc/93/94/09/500939409.db2.gz RWNJGMSJDZMMRA-YFVAEKQCSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C[NH+]1Cc1ccccc1 ZINC000439789881 500939411 /nfs/dbraw/zinc/93/94/11/500939411.db2.gz RWNJGMSJDZMMRA-YFVAEKQCSA-N 2 1 355.526 3.173 20 0 FGADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC1 ZINC000449180763 500942304 /nfs/dbraw/zinc/94/23/04/500942304.db2.gz BZCBHZWZNPXMCP-PXNSSMCTSA-N 2 1 357.542 3.071 20 0 FGADMP C[N@@H+](Cc1ccccc1)Cc1cccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000435234759 500946967 /nfs/dbraw/zinc/94/69/67/500946967.db2.gz AMOCLIUSEDTPTL-JOCHJYFZSA-N 2 1 363.505 3.285 20 0 FGADMP C[NH+](C)C1CCN(CCNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449223840 500951755 /nfs/dbraw/zinc/95/17/55/500951755.db2.gz KQAKQHLALWFPDU-UHFFFAOYSA-N 2 1 366.638 3.281 20 0 FGADMP Cc1cccn2cc(COc3ccc(C[N@@H+]4CC[C@H]([C@H](C)[NH3+])C4)cc3)nc12 ZINC000435373374 500961385 /nfs/dbraw/zinc/96/13/85/500961385.db2.gz MXQZLOGTJLXSRK-HKUYNNGSSA-N 2 1 364.493 3.391 20 0 FGADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OCc1ccccc1 ZINC000435379202 500963711 /nfs/dbraw/zinc/96/37/11/500963711.db2.gz LNDRSDPNURCVAN-XUVXKRRUSA-N 2 1 352.478 3.443 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn(-c4ccccc4)nc3-c3ccncc3)C[C@H]21 ZINC000435382642 500964387 /nfs/dbraw/zinc/96/43/87/500964387.db2.gz DXYYXDPQCRAEGL-STZQEDGTSA-N 2 1 373.504 3.494 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000435386541 500964906 /nfs/dbraw/zinc/96/49/06/500964906.db2.gz XFRQSKBUFSGGHQ-HXUWFJFHSA-N 2 1 357.498 3.474 20 0 FGADMP COc1ccc(OCc2ccccn2)c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000435386541 500964908 /nfs/dbraw/zinc/96/49/08/500964908.db2.gz XFRQSKBUFSGGHQ-HXUWFJFHSA-N 2 1 357.498 3.474 20 0 FGADMP COc1cc2ccccc2cc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000449326452 500978728 /nfs/dbraw/zinc/97/87/28/500978728.db2.gz VWRTUERDKRWGBD-GOSISDBHSA-N 2 1 367.537 3.449 20 0 FGADMP CC[NH+]1CCC([N@@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000445531918 500998569 /nfs/dbraw/zinc/99/85/69/500998569.db2.gz FLPPDZDYCFEVLQ-UHFFFAOYSA-N 2 1 356.436 3.097 20 0 FGADMP CC[NH+]1CCC([N@H+]2CCCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000445531918 500998571 /nfs/dbraw/zinc/99/85/71/500998571.db2.gz FLPPDZDYCFEVLQ-UHFFFAOYSA-N 2 1 356.436 3.097 20 0 FGADMP CN(CC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435693956 501013286 /nfs/dbraw/zinc/01/32/86/501013286.db2.gz KBDSAOYJICBLMZ-SFHVURJKSA-N 2 1 356.539 3.224 20 0 FGADMP CN(CC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2)c1ccccc1 ZINC000435693956 501013288 /nfs/dbraw/zinc/01/32/88/501013288.db2.gz KBDSAOYJICBLMZ-SFHVURJKSA-N 2 1 356.539 3.224 20 0 FGADMP CCc1ccc(CC[N@@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000435695364 501013379 /nfs/dbraw/zinc/01/33/79/501013379.db2.gz NDYFHUOOIHWYRA-HXUWFJFHSA-N 2 1 352.526 3.169 20 0 FGADMP CCn1ccnc1C[N@@H+](CCc1ccc(C)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435698295 501014038 /nfs/dbraw/zinc/01/40/38/501014038.db2.gz WETBGWDPDVYCCM-HXUWFJFHSA-N 2 1 352.526 3.398 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504178 501019319 /nfs/dbraw/zinc/01/93/19/501019319.db2.gz QHQAVCLAESNITO-BVYCBKJFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504178 501019321 /nfs/dbraw/zinc/01/93/21/501019321.db2.gz QHQAVCLAESNITO-BVYCBKJFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504178 501019323 /nfs/dbraw/zinc/01/93/23/501019323.db2.gz QHQAVCLAESNITO-BVYCBKJFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000449504178 501019325 /nfs/dbraw/zinc/01/93/25/501019325.db2.gz QHQAVCLAESNITO-BVYCBKJFSA-N 2 1 361.574 3.245 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](Cc3coc4ccccc34)C2)CC1 ZINC000449508542 501021321 /nfs/dbraw/zinc/02/13/21/501021321.db2.gz UZQBNJSVGIXIRN-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](Cc3coc4ccccc34)C2)CC1 ZINC000449508542 501021322 /nfs/dbraw/zinc/02/13/22/501021322.db2.gz UZQBNJSVGIXIRN-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](Cc3coc4ccccc34)C2)CC1 ZINC000449508542 501021323 /nfs/dbraw/zinc/02/13/23/501021323.db2.gz UZQBNJSVGIXIRN-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000449508542 501021324 /nfs/dbraw/zinc/02/13/24/501021324.db2.gz UZQBNJSVGIXIRN-LJQANCHMSA-N 2 1 369.509 3.199 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511037 501021878 /nfs/dbraw/zinc/02/18/78/501021878.db2.gz YECRFBAOIRKEDC-UNMCSNQZSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511037 501021879 /nfs/dbraw/zinc/02/18/79/501021879.db2.gz YECRFBAOIRKEDC-UNMCSNQZSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511037 501021880 /nfs/dbraw/zinc/02/18/80/501021880.db2.gz YECRFBAOIRKEDC-UNMCSNQZSA-N 2 1 371.569 3.446 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000449511037 501021881 /nfs/dbraw/zinc/02/18/81/501021881.db2.gz YECRFBAOIRKEDC-UNMCSNQZSA-N 2 1 371.569 3.446 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000440622684 501030584 /nfs/dbraw/zinc/03/05/84/501030584.db2.gz UNMVQLOBCWCEAQ-UKRRQHHQSA-N 2 1 352.404 3.429 20 0 FGADMP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000440622684 501030588 /nfs/dbraw/zinc/03/05/88/501030588.db2.gz UNMVQLOBCWCEAQ-UKRRQHHQSA-N 2 1 352.404 3.429 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)NCCc1ccccc1 ZINC000449578696 501036932 /nfs/dbraw/zinc/03/69/32/501036932.db2.gz QCVICRLKVVLWTD-XQBPLPMBSA-N 2 1 371.569 3.367 20 0 FGADMP Cn1nccc1[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCO1 ZINC000449582000 501037717 /nfs/dbraw/zinc/03/77/17/501037717.db2.gz DAYPHODWHFEADI-FPOVZHCZSA-N 2 1 370.541 3.388 20 0 FGADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC000435894631 501042517 /nfs/dbraw/zinc/04/25/17/501042517.db2.gz WKPVYCDZDSRVPT-LPHOPBHVSA-N 2 1 363.527 3.044 20 0 FGADMP CC[N@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC3(CCCCC3)CC2)C1 ZINC000441015954 501075486 /nfs/dbraw/zinc/07/54/86/501075486.db2.gz ZNAXIEBNKFGEKU-IBGZPJMESA-N 2 1 364.578 3.064 20 0 FGADMP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000450386926 501108436 /nfs/dbraw/zinc/10/84/36/501108436.db2.gz IBBSMJZKZQYRHQ-OAQYLSRUSA-N 2 1 370.541 3.211 20 0 FGADMP CC(C)[NH+](Cc1cc(C[N@H+](C[C@@H](C)O)C(C)C)ccc1F)C[C@@H](C)O ZINC000450395903 501111039 /nfs/dbraw/zinc/11/10/39/501111039.db2.gz UTUMQGAXTBQGHR-IAGOWNOFSA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@H+](C[C@@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000450395903 501111041 /nfs/dbraw/zinc/11/10/41/501111041.db2.gz UTUMQGAXTBQGHR-IAGOWNOFSA-N 2 1 354.510 3.008 20 0 FGADMP CC(C)[NH+](Cc1ccc(F)c(C[N@@H+](C[C@@H](C)O)C(C)C)c1)C[C@@H](C)O ZINC000450395903 501111043 /nfs/dbraw/zinc/11/10/43/501111043.db2.gz UTUMQGAXTBQGHR-IAGOWNOFSA-N 2 1 354.510 3.008 20 0 FGADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369162 501128865 /nfs/dbraw/zinc/12/88/65/501128865.db2.gz CUKAKXMVCHDEDC-PMACEKPBSA-N 2 1 356.510 3.386 20 0 FGADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369162 501128869 /nfs/dbraw/zinc/12/88/69/501128869.db2.gz CUKAKXMVCHDEDC-PMACEKPBSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369162 501128873 /nfs/dbraw/zinc/12/88/73/501128873.db2.gz CUKAKXMVCHDEDC-PMACEKPBSA-N 2 1 356.510 3.386 20 0 FGADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1cccc2ccccc21 ZINC000441369162 501128877 /nfs/dbraw/zinc/12/88/77/501128877.db2.gz CUKAKXMVCHDEDC-PMACEKPBSA-N 2 1 356.510 3.386 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000441382166 501130312 /nfs/dbraw/zinc/13/03/12/501130312.db2.gz NKEROCDJCOCAJY-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP CCN(C(=O)NCC1([NH+](C)C)CCC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000446611699 501141810 /nfs/dbraw/zinc/14/18/10/501141810.db2.gz ACGGRCVUJVGGHA-ICSRJNTNSA-N 2 1 372.557 3.338 20 0 FGADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000450062649 501168849 /nfs/dbraw/zinc/16/88/49/501168849.db2.gz VEUPUFJIXSHKIC-DYXWJJEUSA-N 2 1 361.574 3.077 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc2ccccc2s1 ZINC000446828824 501169566 /nfs/dbraw/zinc/16/95/66/501169566.db2.gz ZPSFMYGFUAGGKZ-OAHLLOKOSA-N 2 1 359.539 3.495 20 0 FGADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC4CC[NH+](C5CC5)CC4)[C@@H]3C2)cc1 ZINC000446882389 501177063 /nfs/dbraw/zinc/17/70/63/501177063.db2.gz DHYXHFHSMXTDSY-WWNPGLIZSA-N 3 1 353.554 3.361 20 0 FGADMP C[C@H](CN1CCCC1=O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453083727 501265288 /nfs/dbraw/zinc/26/52/88/501265288.db2.gz GHGYGSOKLWPCGD-GFOJFJKKSA-N 2 1 355.526 3.030 20 0 FGADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453103817 501269390 /nfs/dbraw/zinc/26/93/90/501269390.db2.gz DMCWSILMJIKXLL-GOSISDBHSA-N 2 1 369.557 3.011 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453126753 501274673 /nfs/dbraw/zinc/27/46/73/501274673.db2.gz KTQMVNCRTFDGET-KAOXLYBCSA-N 3 1 373.585 3.376 20 0 FGADMP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453126753 501274676 /nfs/dbraw/zinc/27/46/76/501274676.db2.gz KTQMVNCRTFDGET-KAOXLYBCSA-N 2 1 373.585 3.376 20 0 FGADMP C[C@@H]([NH2+]CCc1ccc(OCC[N@H+]2C[C@H](C)[C@H](C)C2)cc1)c1cn[nH]c1 ZINC000453158693 501280720 /nfs/dbraw/zinc/28/07/20/501280720.db2.gz BTLGMPHFPJHVGS-FGTMMUONSA-N 2 1 356.514 3.270 20 0 FGADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453183493 501287153 /nfs/dbraw/zinc/28/71/53/501287153.db2.gz SKZFFESDHXTDFU-HBMCJLEFSA-N 2 1 357.542 3.182 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccsc1 ZINC000457698597 501289924 /nfs/dbraw/zinc/28/99/24/501289924.db2.gz ZCIGDXYYYFICGH-WMZOPIPTSA-N 2 1 366.575 3.162 20 0 FGADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c(=O)n1C ZINC000453209099 501291542 /nfs/dbraw/zinc/29/15/42/501291542.db2.gz CTABQCGIYQXIMH-VSKRKVRLSA-N 2 1 365.521 3.227 20 0 FGADMP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)CC2 ZINC000453252987 501300342 /nfs/dbraw/zinc/30/03/42/501300342.db2.gz MYOWOBKDUGJDOV-NXWNEQKCSA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)C2 ZINC000453252987 501300345 /nfs/dbraw/zinc/30/03/45/501300345.db2.gz MYOWOBKDUGJDOV-NXWNEQKCSA-N 2 1 350.510 3.300 20 0 FGADMP c1nc2c([nH]1)CC[C@@H]([NH2+][C@H]1CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]31)C2 ZINC000453252987 501300347 /nfs/dbraw/zinc/30/03/47/501300347.db2.gz MYOWOBKDUGJDOV-NXWNEQKCSA-N 2 1 350.510 3.300 20 0 FGADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535366 501316307 /nfs/dbraw/zinc/31/63/07/501316307.db2.gz ZRPHZWLPXRSCAO-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535366 501316308 /nfs/dbraw/zinc/31/63/08/501316308.db2.gz ZRPHZWLPXRSCAO-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535366 501316310 /nfs/dbraw/zinc/31/63/10/501316310.db2.gz ZRPHZWLPXRSCAO-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000451535366 501316312 /nfs/dbraw/zinc/31/63/12/501316312.db2.gz ZRPHZWLPXRSCAO-OALUTQOASA-N 2 1 371.516 3.078 20 0 FGADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453399817 501325017 /nfs/dbraw/zinc/32/50/17/501325017.db2.gz LQHFVRXPOBXJMW-BDTNDASRSA-N 2 1 350.510 3.360 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](CO)C(C)C ZINC000451599372 501334191 /nfs/dbraw/zinc/33/41/91/501334191.db2.gz QHYRZGWXYVDHRV-BHIFYINESA-N 2 1 362.558 3.156 20 0 FGADMP CC(C)[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)[C@@H](CO)C(C)C ZINC000451599372 501334193 /nfs/dbraw/zinc/33/41/93/501334193.db2.gz QHYRZGWXYVDHRV-BHIFYINESA-N 2 1 362.558 3.156 20 0 FGADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)NCCc1ccccc1 ZINC000453452362 501335547 /nfs/dbraw/zinc/33/55/47/501335547.db2.gz SCJVJHLGNYRXJT-WOIUINJBSA-N 2 1 371.569 3.367 20 0 FGADMP Cc1ccc(C[C@@H](CO)[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000453455148 501336837 /nfs/dbraw/zinc/33/68/37/501336837.db2.gz UJVNAAXMFYGKJT-QHCPKHFHSA-N 2 1 352.522 3.461 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH+](C)C)C1 ZINC000457933691 501338138 /nfs/dbraw/zinc/33/81/38/501338138.db2.gz QLRNTULQIKSEMQ-MJGOQNOKSA-N 2 1 360.546 3.242 20 0 FGADMP Cc1ccc([C@H](CNC(=O)NCCCC[N@H+](C)C2CC2)[NH+]2CCCC2)cc1 ZINC000455610419 501346295 /nfs/dbraw/zinc/34/62/95/501346295.db2.gz KZNSYTOLWNANOV-NRFANRHFSA-N 2 1 372.557 3.306 20 0 FGADMP Cc1cc(NC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)cn2cc[nH+]c12 ZINC000455612242 501346764 /nfs/dbraw/zinc/34/67/64/501346764.db2.gz AWGVNGJSHSJPJG-YJBOKZPZSA-N 2 1 351.454 3.456 20 0 FGADMP COc1cc(Br)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1O ZINC000453591608 501356193 /nfs/dbraw/zinc/35/61/93/501356193.db2.gz CWCYCBVJNVQTRY-UHFFFAOYSA-N 2 1 357.292 3.127 20 0 FGADMP C[N@@H+](CCCC[NH2+]Cc1cnc2ccc(Br)cn12)C1CC1 ZINC000453593714 501356997 /nfs/dbraw/zinc/35/69/97/501356997.db2.gz HINSSNGXISRPJR-UHFFFAOYSA-N 2 1 351.292 3.061 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(C2CCC2)cn1 ZINC000455681546 501364007 /nfs/dbraw/zinc/36/40/07/501364007.db2.gz PTXIALATWCUZBQ-IBGZPJMESA-N 2 1 373.545 3.229 20 0 FGADMP Cc1cc(NC(=O)c2sccc2C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000458186915 501387541 /nfs/dbraw/zinc/38/75/41/501387541.db2.gz AENIXDXKLYNKSQ-UHFFFAOYSA-N 2 1 361.511 3.311 20 0 FGADMP CN(CC[N@H+](C)Cc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124672 501441264 /nfs/dbraw/zinc/44/12/64/501441264.db2.gz XWNVRHXYRIKDHZ-UHFFFAOYSA-N 2 1 357.464 3.467 20 0 FGADMP CN(CC[N@@H+](C)Cc1ccccc1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452124672 501441268 /nfs/dbraw/zinc/44/12/68/501441268.db2.gz XWNVRHXYRIKDHZ-UHFFFAOYSA-N 2 1 357.464 3.467 20 0 FGADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000456206352 501474885 /nfs/dbraw/zinc/47/48/85/501474885.db2.gz QRWSMTNQNNXXGZ-SFHVURJKSA-N 2 1 363.521 3.274 20 0 FGADMP CC1CC[NH+](C2CCC(NC(=O)NCC[C@H]3CCC[N@@H+](C)C3)CC2)CC1 ZINC000458568633 501476166 /nfs/dbraw/zinc/47/61/66/501476166.db2.gz KXQNUNYGWPWAMQ-XEVCZEQESA-N 2 1 364.578 3.061 20 0 FGADMP C[C@H](NC(=O)NC(C)(C)C[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000458663790 501502337 /nfs/dbraw/zinc/50/23/37/501502337.db2.gz FUAYYMBDBIBAKB-ICSRJNTNSA-N 2 1 372.557 3.071 20 0 FGADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NC2CC[NH+](C3CCC3)CC2)C1 ZINC000454481178 501556508 /nfs/dbraw/zinc/55/65/08/501556508.db2.gz IECQOOAVENSUBO-QGZVFWFLSA-N 2 1 364.578 3.203 20 0 FGADMP CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@H]1C ZINC000458933507 501561813 /nfs/dbraw/zinc/56/18/13/501561813.db2.gz IRAAEPDNRJEFHQ-CEXWTWQISA-N 2 1 352.567 3.011 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([NH+](C)Cc3ccccc3)CCC2)CC[N@H+]1C ZINC000458972859 501568239 /nfs/dbraw/zinc/56/82/39/501568239.db2.gz LGCZSFFSCRQFPD-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972859 501568241 /nfs/dbraw/zinc/56/82/41/501568241.db2.gz LGCZSFFSCRQFPD-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)NCC2([N@@H+](C)Cc3ccccc3)CCC2)CC[NH+]1C ZINC000458972859 501568244 /nfs/dbraw/zinc/56/82/44/501568244.db2.gz LGCZSFFSCRQFPD-ICSRJNTNSA-N 2 1 372.557 3.165 20 0 FGADMP CC[C@@H]1C[C@H]1CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000458983985 501571097 /nfs/dbraw/zinc/57/10/97/501571097.db2.gz DVYVVUKNVDHAHA-BWPNAZKDSA-N 2 1 364.578 3.011 20 0 FGADMP CCOC[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453007304 501599996 /nfs/dbraw/zinc/59/99/96/501599996.db2.gz CWZMYCRQJSWZSP-NHCUHLMSSA-N 2 1 360.542 3.006 20 0 FGADMP C[N@@H+](CCCCNC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000459191718 501611324 /nfs/dbraw/zinc/61/13/24/501611324.db2.gz MTIDSVJZJOASGB-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[NH+](CCCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000459191718 501611326 /nfs/dbraw/zinc/61/13/26/501611326.db2.gz MTIDSVJZJOASGB-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP C[NH+](CCCCNC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000459191718 501611328 /nfs/dbraw/zinc/61/13/28/501611328.db2.gz MTIDSVJZJOASGB-UHFFFAOYSA-N 2 1 364.578 3.158 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000459270009 501622844 /nfs/dbraw/zinc/62/28/44/501622844.db2.gz UTXQDXUGSVECNF-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270009 501622846 /nfs/dbraw/zinc/62/28/46/501622846.db2.gz UTXQDXUGSVECNF-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000459270009 501622847 /nfs/dbraw/zinc/62/28/47/501622847.db2.gz UTXQDXUGSVECNF-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Br)c1O ZINC000459297939 501626835 /nfs/dbraw/zinc/62/68/35/501626835.db2.gz IHRPNJRDKHGGMC-ZDUSSCGKSA-N 2 1 371.319 3.327 20 0 FGADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc(Br)c1O ZINC000459297939 501626837 /nfs/dbraw/zinc/62/68/37/501626837.db2.gz IHRPNJRDKHGGMC-ZDUSSCGKSA-N 2 1 371.319 3.327 20 0 FGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc(Br)c1O ZINC000459297939 501626839 /nfs/dbraw/zinc/62/68/39/501626839.db2.gz IHRPNJRDKHGGMC-ZDUSSCGKSA-N 2 1 371.319 3.327 20 0 FGADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc(Br)c1O ZINC000459297939 501626840 /nfs/dbraw/zinc/62/68/40/501626840.db2.gz IHRPNJRDKHGGMC-ZDUSSCGKSA-N 2 1 371.319 3.327 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454788498 501629702 /nfs/dbraw/zinc/62/97/02/501629702.db2.gz BCBJHIGGCRQWDQ-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP CCN(C(=O)NCC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459327142 501631513 /nfs/dbraw/zinc/63/15/13/501631513.db2.gz XKHTUFOACFIEBZ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327142 501631515 /nfs/dbraw/zinc/63/15/15/501631515.db2.gz XKHTUFOACFIEBZ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP CCN(C(=O)NCC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000459327142 501631517 /nfs/dbraw/zinc/63/15/17/501631517.db2.gz XKHTUFOACFIEBZ-NHCUHLMSSA-N 2 1 372.557 3.024 20 0 FGADMP COC(=O)c1cccnc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000459367500 501640404 /nfs/dbraw/zinc/64/04/04/501640404.db2.gz FLTQBBCIGLPACK-UHFFFAOYSA-N 2 1 368.481 3.002 20 0 FGADMP FC(F)Oc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459417719 501650629 /nfs/dbraw/zinc/65/06/29/501650629.db2.gz UPIMEUXTUMOANT-OAHLLOKOSA-N 2 1 351.441 3.083 20 0 FGADMP COc1cccc([C@@H]2[C@H](NC3CC[NH+](C4CC4)CC3)CC[N@@H+]2C2CC2)c1 ZINC000459456292 501657159 /nfs/dbraw/zinc/65/71/59/501657159.db2.gz HKNNTDSUCODZNQ-FGZHOGPDSA-N 2 1 355.526 3.189 20 0 FGADMP COc1cccc([C@@H]2[C@H](NC3CC[NH+](C4CC4)CC3)CC[N@H+]2C2CC2)c1 ZINC000459456292 501657161 /nfs/dbraw/zinc/65/71/61/501657161.db2.gz HKNNTDSUCODZNQ-FGZHOGPDSA-N 2 1 355.526 3.189 20 0 FGADMP CC1(c2ccccc2)CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000459469376 501659011 /nfs/dbraw/zinc/65/90/11/501659011.db2.gz SCOHMZZZMISWQU-KOENEWCDSA-N 2 1 350.506 3.463 20 0 FGADMP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000459486286 501662417 /nfs/dbraw/zinc/66/24/17/501662417.db2.gz PIJRJHFWAPLKPC-GOSISDBHSA-N 2 1 360.542 3.296 20 0 FGADMP C[C@H]1[C@H](NC(=O)NCCCCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000454960856 501662625 /nfs/dbraw/zinc/66/26/25/501662625.db2.gz MLUBABZHHYVHMN-PZJWPPBQSA-N 2 1 372.557 3.215 20 0 FGADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C[C@@H](C)O1 ZINC000459559895 501676615 /nfs/dbraw/zinc/67/66/15/501676615.db2.gz NBSQOIMSZIALCA-URLVKDPJSA-N 2 1 372.553 3.380 20 0 FGADMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2CC(C)(C)C2)CC1 ZINC000459746083 501707793 /nfs/dbraw/zinc/70/77/93/501707793.db2.gz UIHIQKDDNYVIRV-UHFFFAOYSA-N 2 1 357.542 3.196 20 0 FGADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000460168293 501747241 /nfs/dbraw/zinc/74/72/41/501747241.db2.gz JNNQQGQPXQEPKZ-ICSRJNTNSA-N 2 1 360.546 3.243 20 0 FGADMP CC[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCCC[N@H+]3C)c(C)c2)CC1 ZINC000477645641 501748747 /nfs/dbraw/zinc/74/87/47/501748747.db2.gz PHIXSAJJBRTNDT-IBGZPJMESA-N 2 1 372.557 3.340 20 0 FGADMP Cc1nc2cc(F)c(F)cc2n1CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000474289279 501777322 /nfs/dbraw/zinc/77/73/22/501777322.db2.gz DNZSUPMLHZFTRE-CYBMUJFWSA-N 2 1 364.440 3.004 20 0 FGADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCC[N@H+]1Cc1ccc(F)cc1 ZINC000474316799 501787777 /nfs/dbraw/zinc/78/77/77/501787777.db2.gz AWFFPCXXVFOWAG-HXUWFJFHSA-N 2 1 361.505 3.172 20 0 FGADMP O=C(NCCC[NH+]1CCCCCC1)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000474316799 501787784 /nfs/dbraw/zinc/78/77/84/501787784.db2.gz AWFFPCXXVFOWAG-HXUWFJFHSA-N 2 1 361.505 3.172 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322921 501789722 /nfs/dbraw/zinc/78/97/22/501789722.db2.gz HMJPXTNUZMUSJK-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)C[NH+]1CCCC1 ZINC000474322921 501789729 /nfs/dbraw/zinc/78/97/29/501789729.db2.gz HMJPXTNUZMUSJK-YLJYHZDGSA-N 2 1 361.505 3.028 20 0 FGADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000470775037 501798143 /nfs/dbraw/zinc/79/81/43/501798143.db2.gz VYZGRXFYPZNEJJ-JOCHJYFZSA-N 2 1 363.505 3.431 20 0 FGADMP CC[C@@H](C)NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000485479895 501832825 /nfs/dbraw/zinc/83/28/25/501832825.db2.gz WZZYCIHVWHPIKD-MOPGFXCFSA-N 2 1 357.542 3.278 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C1C(C)(C)C1(C)C ZINC000474483441 501851426 /nfs/dbraw/zinc/85/14/26/501851426.db2.gz WQBFYJJBQAIIKQ-MRXNPFEDSA-N 2 1 357.542 3.235 20 0 FGADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000478040455 501862510 /nfs/dbraw/zinc/86/25/10/501862510.db2.gz ISHDKSKYRHJOAN-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(Br)c2)C1 ZINC000478040455 501862515 /nfs/dbraw/zinc/86/25/15/501862515.db2.gz ISHDKSKYRHJOAN-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000478040455 501862523 /nfs/dbraw/zinc/86/25/23/501862523.db2.gz ISHDKSKYRHJOAN-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000478040455 501862527 /nfs/dbraw/zinc/86/25/27/501862527.db2.gz ISHDKSKYRHJOAN-OAHLLOKOSA-N 2 1 355.320 3.492 20 0 FGADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474557222 501876320 /nfs/dbraw/zinc/87/63/20/501876320.db2.gz NBDBPEGKFWYPPB-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2Cc2ccc(F)cc2)C1 ZINC000474557222 501876326 /nfs/dbraw/zinc/87/63/26/501876326.db2.gz NBDBPEGKFWYPPB-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(F)cc2)C1 ZINC000474557222 501876332 /nfs/dbraw/zinc/87/63/32/501876332.db2.gz NBDBPEGKFWYPPB-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(F)cc2)C1 ZINC000474557222 501876334 /nfs/dbraw/zinc/87/63/34/501876334.db2.gz NBDBPEGKFWYPPB-UYAOXDASSA-N 2 1 361.505 3.027 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000460647455 501884895 /nfs/dbraw/zinc/88/48/95/501884895.db2.gz HULRIERMGNHXIF-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000460647455 501884899 /nfs/dbraw/zinc/88/48/99/501884899.db2.gz HULRIERMGNHXIF-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP CCC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000460647455 501884902 /nfs/dbraw/zinc/88/49/02/501884902.db2.gz HULRIERMGNHXIF-SQNIBIBYSA-N 2 1 352.567 3.059 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(C(F)(F)F)cc1 ZINC000467862375 501892628 /nfs/dbraw/zinc/89/26/28/501892628.db2.gz HTVCFIOLPSEDIR-AWEZNQCLSA-N 2 1 371.447 3.299 20 0 FGADMP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000481926726 501921512 /nfs/dbraw/zinc/92/15/12/501921512.db2.gz WPBXXRPHCGNJOX-NVXWUHKLSA-N 2 1 358.448 3.463 20 0 FGADMP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000481926724 501921808 /nfs/dbraw/zinc/92/18/08/501921808.db2.gz WPBXXRPHCGNJOX-DOTOQJQBSA-N 2 1 358.448 3.463 20 0 FGADMP CC(C)C[C@H](CNC(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000468021595 501932223 /nfs/dbraw/zinc/93/22/23/501932223.db2.gz KHKSAFBAEVWUFS-DFQSSKMNSA-N 2 1 372.557 3.288 20 0 FGADMP Cc1cc2[nH]c(C[N@@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c(C)c1 ZINC000482011487 501946497 /nfs/dbraw/zinc/94/64/97/501946497.db2.gz ANEZHGVHBCMQBJ-XMSQKQJNSA-N 2 1 354.542 3.243 20 0 FGADMP Cc1cc2[nH]c(C[N@H+]3CC[C@@H](N4CC[NH+](C)CC4)[C@H](C)C3)cc2c(C)c1 ZINC000482011487 501946499 /nfs/dbraw/zinc/94/64/99/501946499.db2.gz ANEZHGVHBCMQBJ-XMSQKQJNSA-N 2 1 354.542 3.243 20 0 FGADMP C[C@@H]1c2ccccc2CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475016128 502021843 /nfs/dbraw/zinc/02/18/43/502021843.db2.gz FRMGALZZSZBAML-DYESRHJHSA-N 2 1 351.494 3.025 20 0 FGADMP C[C@@H]1c2ccccc2CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475016128 502021847 /nfs/dbraw/zinc/02/18/47/502021847.db2.gz FRMGALZZSZBAML-DYESRHJHSA-N 2 1 351.494 3.025 20 0 FGADMP Cc1ccccc1[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000475037316 502029926 /nfs/dbraw/zinc/02/99/26/502029926.db2.gz CSHLLXHTDMRUNB-IRLDBZIGSA-N 2 1 365.521 3.203 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000486067572 502035724 /nfs/dbraw/zinc/03/57/24/502035724.db2.gz YKYSATRFMQEHQL-IBGZPJMESA-N 2 1 354.498 3.131 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000478621829 502036741 /nfs/dbraw/zinc/03/67/41/502036741.db2.gz GVLVWUMRKXJQTO-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000478621829 502036743 /nfs/dbraw/zinc/03/67/43/502036743.db2.gz GVLVWUMRKXJQTO-OAQYLSRUSA-N 2 1 355.526 3.032 20 0 FGADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000475150241 502081918 /nfs/dbraw/zinc/08/19/18/502081918.db2.gz HQAQGWRQWKMNGS-OAQYLSRUSA-N 2 1 350.466 3.265 20 0 FGADMP CCN(C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000475180267 502092496 /nfs/dbraw/zinc/09/24/96/502092496.db2.gz XTDZAVKFHDEGFX-NJYVYQBISA-N 2 1 372.557 3.165 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792996 502097309 /nfs/dbraw/zinc/09/73/09/502097309.db2.gz ZKRCJINVUGWDSJ-ICSRJNTNSA-N 2 1 362.558 3.306 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792996 502097313 /nfs/dbraw/zinc/09/73/13/502097313.db2.gz ZKRCJINVUGWDSJ-ICSRJNTNSA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792996 502097317 /nfs/dbraw/zinc/09/73/17/502097317.db2.gz ZKRCJINVUGWDSJ-ICSRJNTNSA-N 2 1 362.558 3.306 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(C(C)(C)C)cc2C)C1 ZINC000464792996 502097321 /nfs/dbraw/zinc/09/73/21/502097321.db2.gz ZKRCJINVUGWDSJ-ICSRJNTNSA-N 2 1 362.558 3.306 20 0 FGADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)c(F)c2)[C@@H](C)C1 ZINC000482531797 502102248 /nfs/dbraw/zinc/10/22/48/502102248.db2.gz JOYXJOAPJGPURF-QFBILLFUSA-N 2 1 352.494 3.103 20 0 FGADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000482568544 502113905 /nfs/dbraw/zinc/11/39/05/502113905.db2.gz HFUURTMIQGOGEP-CRAIPNDOSA-N 2 1 371.550 3.456 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000461473186 502127898 /nfs/dbraw/zinc/12/78/98/502127898.db2.gz QCWFVZLYMGDBHO-RTWAWAEBSA-N 2 1 357.542 3.279 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)c1cc(C[NH+]2CCCC2)on1)c1ccccc1 ZINC000461740080 502186701 /nfs/dbraw/zinc/18/67/01/502186701.db2.gz JDGIPWBHPPIGHB-FQEVSTJZSA-N 2 1 370.497 3.083 20 0 FGADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(=O)N3Cc4ccccc4C3)CC2)C1 ZINC000475504956 502194652 /nfs/dbraw/zinc/19/46/52/502194652.db2.gz QSRKGCCNFYABNC-DYESRHJHSA-N 2 1 355.526 3.162 20 0 FGADMP CC[NH+]1CCC([NH2+]C2CCN(c3ccc(C(F)(F)F)cn3)CC2)CC1 ZINC000461797695 502205616 /nfs/dbraw/zinc/20/56/16/502205616.db2.gz LRTXRBCQSMDDRM-UHFFFAOYSA-N 2 1 356.436 3.143 20 0 FGADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185595 502209360 /nfs/dbraw/zinc/20/93/60/502209360.db2.gz DVYGBVWZRBFZGB-MAUKXSAKSA-N 2 1 351.922 3.037 20 0 FGADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000465185595 502209364 /nfs/dbraw/zinc/20/93/64/502209364.db2.gz DVYGBVWZRBFZGB-MAUKXSAKSA-N 2 1 351.922 3.037 20 0 FGADMP C[C@@H](CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000479270112 502212399 /nfs/dbraw/zinc/21/23/99/502212399.db2.gz DNHIUCSLLVQOHH-DOADOZAASA-N 2 1 360.546 3.240 20 0 FGADMP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1)[NH+]1CCCC1 ZINC000465216816 502217318 /nfs/dbraw/zinc/21/73/18/502217318.db2.gz VYSAPOWRKDGDGM-UYAOXDASSA-N 2 1 366.594 3.164 20 0 FGADMP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000472066954 502217602 /nfs/dbraw/zinc/21/76/02/502217602.db2.gz ZKIPGQYFXJIMLF-MOPGFXCFSA-N 2 1 366.594 3.403 20 0 FGADMP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000472089875 502227406 /nfs/dbraw/zinc/22/74/06/502227406.db2.gz XFZQUFPMCJCLKH-TZIWHRDSSA-N 2 1 372.557 3.024 20 0 FGADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(OCC(F)F)cc2)CC1 ZINC000475616061 502229604 /nfs/dbraw/zinc/22/96/04/502229604.db2.gz CWUSUMDFLGGDAI-UHFFFAOYSA-N 2 1 363.408 3.056 20 0 FGADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000479357041 502234535 /nfs/dbraw/zinc/23/45/35/502234535.db2.gz JFHAXTWQOJZFAX-KRWDZBQOSA-N 2 1 355.320 3.384 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000468959031 502243910 /nfs/dbraw/zinc/24/39/10/502243910.db2.gz JMCOKQNEKDSEPH-KZNAEPCWSA-N 2 1 361.530 3.186 20 0 FGADMP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]C[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000468959031 502243914 /nfs/dbraw/zinc/24/39/14/502243914.db2.gz JMCOKQNEKDSEPH-KZNAEPCWSA-N 2 1 361.530 3.186 20 0 FGADMP CCCc1nsc(N(C)CCC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000461950982 502249468 /nfs/dbraw/zinc/24/94/68/502249468.db2.gz BMSDTRVOJSASNN-UHFFFAOYSA-N 2 1 365.591 3.123 20 0 FGADMP CC(C)COC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000475738345 502275009 /nfs/dbraw/zinc/27/50/09/502275009.db2.gz JIWUDLRABQMQMV-FCHUYYIVSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000475738345 502275013 /nfs/dbraw/zinc/27/50/13/502275013.db2.gz JIWUDLRABQMQMV-FCHUYYIVSA-N 2 1 360.542 3.008 20 0 FGADMP CC(C)COC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000475738345 502275018 /nfs/dbraw/zinc/27/50/18/502275018.db2.gz JIWUDLRABQMQMV-FCHUYYIVSA-N 2 1 360.542 3.008 20 0 FGADMP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000479502587 502278823 /nfs/dbraw/zinc/27/88/23/502278823.db2.gz PQXKYSBNQDZEIN-MSOLQXFVSA-N 2 1 352.567 3.013 20 0 FGADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269552 502291891 /nfs/dbraw/zinc/29/18/91/502291891.db2.gz WPRLMAANUWHMCA-FXAWDEMLSA-N 2 1 361.530 3.009 20 0 FGADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cc1 ZINC000472269552 502291896 /nfs/dbraw/zinc/29/18/96/502291896.db2.gz WPRLMAANUWHMCA-FXAWDEMLSA-N 2 1 361.530 3.009 20 0 FGADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000465541905 502299935 /nfs/dbraw/zinc/29/99/35/502299935.db2.gz MQWPFFYLHJITBT-OALUTQOASA-N 2 1 352.567 3.013 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000472294473 502303258 /nfs/dbraw/zinc/30/32/58/502303258.db2.gz PBHSNULNOUMHQC-KRWDZBQOSA-N 2 1 367.921 3.020 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C)C1 ZINC000472294473 502303266 /nfs/dbraw/zinc/30/32/66/502303266.db2.gz PBHSNULNOUMHQC-KRWDZBQOSA-N 2 1 367.921 3.020 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000465557175 502306786 /nfs/dbraw/zinc/30/67/86/502306786.db2.gz DUYSENJQQISHJJ-OAQYLSRUSA-N 2 1 372.557 3.202 20 0 FGADMP CC(C)[NH+](CCN(C)C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(C)C ZINC000472309946 502309266 /nfs/dbraw/zinc/30/92/66/502309266.db2.gz KBKLQJXAFHPMKU-OAQYLSRUSA-N 2 1 374.573 3.269 20 0 FGADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(NC(=O)c3ccncc3)cc2)CC1 ZINC000462107553 502309559 /nfs/dbraw/zinc/30/95/59/502309559.db2.gz APGVHUPSFXUOFI-INIZCTEOSA-N 2 1 352.482 3.469 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000469138132 502312066 /nfs/dbraw/zinc/31/20/66/502312066.db2.gz QHTQZIPLPHBVBM-TZIWHRDSSA-N 2 1 372.557 3.159 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C/C=C\c2ccncc2)CC1 ZINC000486960513 502316758 /nfs/dbraw/zinc/31/67/58/502316758.db2.gz ATIQBZNUXLUZMA-WAYWQWQTSA-N 2 1 350.510 3.022 20 0 FGADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000483221824 502317810 /nfs/dbraw/zinc/31/78/10/502317810.db2.gz RXOWFFSVLKTWHZ-MRXNPFEDSA-N 2 1 357.420 3.186 20 0 FGADMP C[C@H]1C[C@H](N(C)C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@H+]1C ZINC000465604113 502323065 /nfs/dbraw/zinc/32/30/65/502323065.db2.gz ULESXYCBWJUPGX-GHTZIAJQSA-N 2 1 372.557 3.297 20 0 FGADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)CC2 ZINC000465683792 502346795 /nfs/dbraw/zinc/34/67/95/502346795.db2.gz ABRXSLVJTFSQBZ-BNDYYXHWSA-N 2 1 364.578 3.154 20 0 FGADMP CCO[C@@H]1C[C@@H]([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)C12CCCCC2 ZINC000472581825 502390835 /nfs/dbraw/zinc/39/08/35/502390835.db2.gz PYTFCCYRCAONGT-NHCUHLMSSA-N 2 1 365.606 3.462 20 0 FGADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)N1CC[C@@H](C)[NH+](Cc2ccccc2)CC1 ZINC000465846405 502401148 /nfs/dbraw/zinc/40/11/48/502401148.db2.gz NWIQEFGQGSRTKV-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000465846405 502401152 /nfs/dbraw/zinc/40/11/52/502401152.db2.gz NWIQEFGQGSRTKV-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP CC[C@@H](C)[NH+](C)CCNC(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000465846405 502401157 /nfs/dbraw/zinc/40/11/57/502401157.db2.gz NWIQEFGQGSRTKV-RTBURBONSA-N 2 1 360.546 3.023 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000479962876 502431914 /nfs/dbraw/zinc/43/19/14/502431914.db2.gz XYZBVIFKXBPXEH-CALCHBBNSA-N 2 1 354.450 3.147 20 0 FGADMP COc1cc(OC)cc(Oc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000479962876 502431921 /nfs/dbraw/zinc/43/19/21/502431921.db2.gz XYZBVIFKXBPXEH-CALCHBBNSA-N 2 1 354.450 3.147 20 0 FGADMP CC[C@H](Cc1ccccc1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000465944271 502434854 /nfs/dbraw/zinc/43/48/54/502434854.db2.gz XOPWVFLAOWGBNR-NHCUHLMSSA-N 2 1 374.573 3.065 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(C)(C)CC1 ZINC000466017716 502455750 /nfs/dbraw/zinc/45/57/50/502455750.db2.gz PIJHAHJZNLBTDQ-SFHVURJKSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+](C)Cc3ccccc3)CC2)CC[N@H+]1C ZINC000466042112 502464090 /nfs/dbraw/zinc/46/40/90/502464090.db2.gz XNRWRFBOHMIXEG-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042112 502464092 /nfs/dbraw/zinc/46/40/92/502464092.db2.gz XNRWRFBOHMIXEG-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@@H]1C[C@H](NC(=O)N2CCC(C[N@@H+](C)Cc3ccccc3)CC2)CC[NH+]1C ZINC000466042112 502464093 /nfs/dbraw/zinc/46/40/93/502464093.db2.gz XNRWRFBOHMIXEG-WIYYLYMNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000466084920 502475271 /nfs/dbraw/zinc/47/52/71/502475271.db2.gz LNACSDLPCDFPOY-AQNXPRMDSA-N 2 1 364.578 3.013 20 0 FGADMP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)c1ccco1 ZINC000483778089 502489977 /nfs/dbraw/zinc/48/99/77/502489977.db2.gz UMIUKRFJIUVALU-BZSNNMDCSA-N 2 1 364.534 3.177 20 0 FGADMP Cc1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000588711914 506316465 /nfs/dbraw/zinc/31/64/65/506316465.db2.gz UZWZMUUMCKKWLD-QRVBRYPASA-N 2 1 373.541 3.143 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000483795823 502495449 /nfs/dbraw/zinc/49/54/49/502495449.db2.gz BMKWXYQISHFTDE-GBESFXJTSA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000483795823 502495451 /nfs/dbraw/zinc/49/54/51/502495451.db2.gz BMKWXYQISHFTDE-GBESFXJTSA-N 2 1 352.567 3.155 20 0 FGADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000483795823 502495453 /nfs/dbraw/zinc/49/54/53/502495453.db2.gz BMKWXYQISHFTDE-GBESFXJTSA-N 2 1 352.567 3.155 20 0 FGADMP CC(C)[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@H+]1C ZINC000487650318 502497983 /nfs/dbraw/zinc/49/79/83/502497983.db2.gz HBMLTMKDIIKVEJ-OAQYLSRUSA-N 2 1 372.557 3.154 20 0 FGADMP C[C@@H](CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)[N@@H+](C)Cc1ccccc1 ZINC000473020077 502502628 /nfs/dbraw/zinc/50/26/28/502502628.db2.gz FDSFRDMRRPGLSM-PZJWPPBQSA-N 2 1 372.557 3.167 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000473177153 502536803 /nfs/dbraw/zinc/53/68/03/502536803.db2.gz SXTAEGMSNINJJQ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000473177153 502536809 /nfs/dbraw/zinc/53/68/09/502536809.db2.gz SXTAEGMSNINJJQ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP CCC[NH+](CC)CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000473177153 502536814 /nfs/dbraw/zinc/53/68/14/502536814.db2.gz SXTAEGMSNINJJQ-IBGZPJMESA-N 2 1 360.546 3.024 20 0 FGADMP COC(=O)c1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n(C)c1C ZINC000462775127 502565141 /nfs/dbraw/zinc/56/51/41/502565141.db2.gz GWLXVVRRIKLNDX-UHFFFAOYSA-N 2 1 357.498 3.250 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2sccc2Br)C1 ZINC000462797776 502580374 /nfs/dbraw/zinc/58/03/74/502580374.db2.gz GEBZEEWVCUDETI-ZDUSSCGKSA-N 2 1 361.349 3.443 20 0 FGADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sccc2Br)C1 ZINC000462797776 502580377 /nfs/dbraw/zinc/58/03/77/502580377.db2.gz GEBZEEWVCUDETI-ZDUSSCGKSA-N 2 1 361.349 3.443 20 0 FGADMP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(C[N@@H+](C)Cc3ccccc3)c2)C1 ZINC000484145461 502582942 /nfs/dbraw/zinc/58/29/42/502582942.db2.gz SAJPSGZHDDKJTB-DYESRHJHSA-N 2 1 351.494 3.128 20 0 FGADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000480584093 502610696 /nfs/dbraw/zinc/61/06/96/502610696.db2.gz PEAYUQUYJWZNDX-VWPQPMDRSA-N 2 1 359.558 3.158 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988651 502619849 /nfs/dbraw/zinc/61/98/49/502619849.db2.gz DCMFKANISPEQRB-HZPDHXFCSA-N 2 1 371.447 3.068 20 0 FGADMP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C(F)(F)F)C1(C)C)c1ccccc1 ZINC000469988651 502619854 /nfs/dbraw/zinc/61/98/54/502619854.db2.gz DCMFKANISPEQRB-HZPDHXFCSA-N 2 1 371.447 3.068 20 0 FGADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccsc3Cl)cn2)CC1 ZINC000480647965 502632536 /nfs/dbraw/zinc/63/25/36/502632536.db2.gz WNICANFWFBJFKD-UHFFFAOYSA-N 2 1 350.919 3.228 20 0 FGADMP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000476989310 502643709 /nfs/dbraw/zinc/64/37/09/502643709.db2.gz MBKNEORUTNSIFG-TZIWHRDSSA-N 2 1 372.557 3.071 20 0 FGADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(OC(C)(C)C)cc1 ZINC000463027297 502664944 /nfs/dbraw/zinc/66/49/44/502664944.db2.gz GEJAIPYAKWGOEP-SJLPKXTDSA-N 2 1 361.530 3.102 20 0 FGADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000484591102 502679010 /nfs/dbraw/zinc/67/90/10/502679010.db2.gz NGRLZIUBTWHFDP-DOADOZAASA-N 2 1 360.546 3.097 20 0 FGADMP C[C@@H](NC(=O)NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000477183990 502701698 /nfs/dbraw/zinc/70/16/98/502701698.db2.gz BMUCCOITPPDLEI-YLJYHZDGSA-N 2 1 374.573 3.173 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914402 502703545 /nfs/dbraw/zinc/70/35/45/502703545.db2.gz VMENRUUGWCHHAF-UGKGYDQZSA-N 2 1 365.521 3.225 20 0 FGADMP Cc1cccc(C(=O)NCC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000480914402 502703550 /nfs/dbraw/zinc/70/35/50/502703550.db2.gz VMENRUUGWCHHAF-UGKGYDQZSA-N 2 1 365.521 3.225 20 0 FGADMP Fc1ccc(CC[NH+]2CCC([NH2+]Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000463138982 502705028 /nfs/dbraw/zinc/70/50/28/502705028.db2.gz BCCUVMFXLSGAHX-UHFFFAOYSA-N 2 1 370.468 3.394 20 0 FGADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000463154324 502708031 /nfs/dbraw/zinc/70/80/31/502708031.db2.gz YWSHDGOJKZTBKS-GKJHBJHPSA-N 2 1 358.526 3.133 20 0 FGADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3C[C@H]3c3ccccc3)CC2)C[C@H](C)O1 ZINC000463154324 502708034 /nfs/dbraw/zinc/70/80/34/502708034.db2.gz YWSHDGOJKZTBKS-GKJHBJHPSA-N 2 1 358.526 3.133 20 0 FGADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000488440120 502714656 /nfs/dbraw/zinc/71/46/56/502714656.db2.gz IXDLBXGNEUYMBR-HKBOAZHASA-N 2 1 361.599 3.485 20 0 FGADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C1 ZINC000477240816 502715966 /nfs/dbraw/zinc/71/59/66/502715966.db2.gz AGDWQCQAYOORDB-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000477240816 502715968 /nfs/dbraw/zinc/71/59/68/502715968.db2.gz AGDWQCQAYOORDB-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000477240816 502715971 /nfs/dbraw/zinc/71/59/71/502715971.db2.gz AGDWQCQAYOORDB-ROUUACIJSA-N 2 1 364.578 3.203 20 0 FGADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OCc2ccccc2)cc1 ZINC000481026304 502732009 /nfs/dbraw/zinc/73/20/09/502732009.db2.gz RLFBXOBVXAFLLN-GHTZIAJQSA-N 2 1 354.494 3.373 20 0 FGADMP C[NH+](C)[C@]1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000463241059 502733349 /nfs/dbraw/zinc/73/33/49/502733349.db2.gz ZUVIUEGWZWIPTE-VTHDOGFWSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCSC1 ZINC000463241059 502733353 /nfs/dbraw/zinc/73/33/53/502733353.db2.gz ZUVIUEGWZWIPTE-VTHDOGFWSA-N 2 1 359.583 3.209 20 0 FGADMP CN(C)[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCSC1 ZINC000463241059 502733359 /nfs/dbraw/zinc/73/33/59/502733359.db2.gz ZUVIUEGWZWIPTE-VTHDOGFWSA-N 2 1 359.583 3.209 20 0 FGADMP Clc1ccc(OCCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000484774107 502736972 /nfs/dbraw/zinc/73/69/72/502736972.db2.gz DWOARTXIDYKFMW-QRVBRYPASA-N 2 1 352.906 3.246 20 0 FGADMP CC1CC[NH+]([C@@H](CNC(=O)N(C)CC[N@@H+](C)C2CC2)c2ccccc2)CC1 ZINC000473907470 502745345 /nfs/dbraw/zinc/74/53/45/502745345.db2.gz ZEQMSARFVNVSTO-NRFANRHFSA-N 2 1 372.557 3.195 20 0 FGADMP CN(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)CC(F)(F)F ZINC000463286111 502745594 /nfs/dbraw/zinc/74/55/94/502745594.db2.gz ACOKLQHIVGVNQM-AYHJJNSGSA-N 2 1 355.448 3.266 20 0 FGADMP C[C@@H](CNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000477342547 502748786 /nfs/dbraw/zinc/74/87/86/502748786.db2.gz RYGZVIVVBKVFBN-FPOVZHCZSA-N 2 1 372.557 3.167 20 0 FGADMP CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558965 502750775 /nfs/dbraw/zinc/75/07/75/502750775.db2.gz MYPUKZPMZAWSLN-HDAAZOAOSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558965 502750779 /nfs/dbraw/zinc/75/07/79/502750779.db2.gz MYPUKZPMZAWSLN-HDAAZOAOSA-N 2 1 372.557 3.021 20 0 FGADMP CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C ZINC000488558965 502750782 /nfs/dbraw/zinc/75/07/82/502750782.db2.gz MYPUKZPMZAWSLN-HDAAZOAOSA-N 2 1 372.557 3.021 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000481104933 502754939 /nfs/dbraw/zinc/75/49/39/502754939.db2.gz JRFQNUKSULSZOH-QTEQDKRBSA-N 2 1 373.585 3.160 20 0 FGADMP CCOCCCN1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000481104933 502754942 /nfs/dbraw/zinc/75/49/42/502754942.db2.gz JRFQNUKSULSZOH-QTEQDKRBSA-N 2 1 373.585 3.160 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000473957590 502762071 /nfs/dbraw/zinc/76/20/71/502762071.db2.gz DBKUMQZGTFYFPI-YFVAEKQCSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957590 502762074 /nfs/dbraw/zinc/76/20/74/502762074.db2.gz DBKUMQZGTFYFPI-YFVAEKQCSA-N 2 1 370.541 3.090 20 0 FGADMP CCN(C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000473957590 502762077 /nfs/dbraw/zinc/76/20/77/502762077.db2.gz DBKUMQZGTFYFPI-YFVAEKQCSA-N 2 1 370.541 3.090 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176554 502774407 /nfs/dbraw/zinc/77/44/07/502774407.db2.gz KJOTZOBFBWRSAR-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000481176554 502774411 /nfs/dbraw/zinc/77/44/11/502774411.db2.gz KJOTZOBFBWRSAR-CEWLAPEOSA-N 2 1 357.542 3.278 20 0 FGADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000481187184 502777275 /nfs/dbraw/zinc/77/72/75/502777275.db2.gz FKPNARPFKTVTTO-ZJOUEHCJSA-N 2 1 359.558 3.164 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N(C)CC[N@@H+](C)C2CC2)C[NH+]1Cc1ccccc1 ZINC000474014855 502779125 /nfs/dbraw/zinc/77/91/25/502779125.db2.gz KOLDJFWEDARLKJ-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000474014855 502779131 /nfs/dbraw/zinc/77/91/31/502779131.db2.gz KOLDJFWEDARLKJ-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N(C)CC[NH+](C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000474014855 502779136 /nfs/dbraw/zinc/77/91/36/502779136.db2.gz KOLDJFWEDARLKJ-ICSRJNTNSA-N 2 1 372.557 3.023 20 0 FGADMP CC[C@H](C)[N@@H+](C)CCNC(=O)NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000474013680 502779225 /nfs/dbraw/zinc/77/92/25/502779225.db2.gz VLAXVROLSPEAFE-QRVBRYPASA-N 2 1 374.573 3.173 20 0 FGADMP CC1CC[NH+](CCCNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000504888230 502819154 /nfs/dbraw/zinc/81/91/54/502819154.db2.gz ICPHLTJFFBNVNG-OAQYLSRUSA-N 2 1 372.557 3.072 20 0 FGADMP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCCC1 ZINC000504927210 502825016 /nfs/dbraw/zinc/82/50/16/502825016.db2.gz YDTZISVUIBBYDC-HXUWFJFHSA-N 2 1 372.557 3.215 20 0 FGADMP CC[C@H](OCC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)c1ccccc1 ZINC000593013715 506337125 /nfs/dbraw/zinc/33/71/25/506337125.db2.gz SUWMVKMSUSFMNI-VXKWHMMOSA-N 2 1 359.558 3.255 20 0 FGADMP C[N@@H+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000513145417 502862314 /nfs/dbraw/zinc/86/23/14/502862314.db2.gz SUWZGWFCEZZCKE-FCLJQHQZSA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000513145417 502862319 /nfs/dbraw/zinc/86/23/19/502862319.db2.gz SUWZGWFCEZZCKE-FCLJQHQZSA-N 2 1 356.432 3.166 20 0 FGADMP C[NH+](C[C@H](O)Cc1ccccc1C(F)(F)F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000513145417 502862324 /nfs/dbraw/zinc/86/23/24/502862324.db2.gz SUWZGWFCEZZCKE-FCLJQHQZSA-N 2 1 356.432 3.166 20 0 FGADMP C[C@H](c1ccc2ccccc2c1)[NH+]1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000489101231 502879362 /nfs/dbraw/zinc/87/93/62/502879362.db2.gz LPHOQZCKYUCPMW-GOSISDBHSA-N 2 1 351.494 3.141 20 0 FGADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000501025159 502915365 /nfs/dbraw/zinc/91/53/65/502915365.db2.gz YXOHGWOVJASNQB-DBXWQHBBSA-N 2 1 372.557 3.171 20 0 FGADMP COc1ccc(OC)c(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000501052351 502923212 /nfs/dbraw/zinc/92/32/12/502923212.db2.gz JVAYWNAMNQKTNA-UHFFFAOYSA-N 2 1 355.482 3.447 20 0 FGADMP Cn1c2ccc(C[N@H+]3CCC[C@H](c4ncc5n4CCCC5)C3)cc2oc1=O ZINC000513512943 502956188 /nfs/dbraw/zinc/95/61/88/502956188.db2.gz CKXFSAGLCWCJEX-INIZCTEOSA-N 2 1 366.465 3.044 20 0 FGADMP C[NH+](C)CCN(C(=O)c1cccc(C[N@@H+](C)Cc2ccccc2)c1)C1CC1 ZINC000505662200 502962689 /nfs/dbraw/zinc/96/26/89/502962689.db2.gz VZOBPUDLXXMZNA-UHFFFAOYSA-N 2 1 365.521 3.485 20 0 FGADMP CCc1nc(CC[NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)no1 ZINC000513655143 502991201 /nfs/dbraw/zinc/99/12/01/502991201.db2.gz LKWUJWDCUDYCKY-HSALFYBXSA-N 2 1 368.525 3.455 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000513665162 502995006 /nfs/dbraw/zinc/99/50/06/502995006.db2.gz BXHSXYHRPZRREN-DJIMGWMZSA-N 2 1 353.304 3.420 20 0 FGADMP COc1ccc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000513665162 502995007 /nfs/dbraw/zinc/99/50/07/502995007.db2.gz BXHSXYHRPZRREN-DJIMGWMZSA-N 2 1 353.304 3.420 20 0 FGADMP O[C@H](C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)(F)F ZINC000513667600 502995511 /nfs/dbraw/zinc/99/55/11/502995511.db2.gz SMFQEXZLOYNPLV-WNRNVDISSA-N 2 1 356.432 3.190 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000509846609 502997795 /nfs/dbraw/zinc/99/77/95/502997795.db2.gz BOEXOQJKBABNGW-CVDCTZTESA-N 2 1 367.537 3.292 20 0 FGADMP CC(C)(C)NC(=O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000513707239 503004837 /nfs/dbraw/zinc/00/48/37/503004837.db2.gz ANVNJBHVIWCSMC-XUVXKRRUSA-N 2 1 357.542 3.182 20 0 FGADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000509958036 503018692 /nfs/dbraw/zinc/01/86/92/503018692.db2.gz RVGREVJVFHGVAH-IBGZPJMESA-N 2 1 367.537 3.251 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@H+](C)C(C2CC2)C2CC2)CC1 ZINC000497736952 503028852 /nfs/dbraw/zinc/02/88/52/503028852.db2.gz WSJJUCKSEUWQSN-QGZVFWFLSA-N 2 1 355.526 3.012 20 0 FGADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C2CC2)C2CC2)CC1 ZINC000497736952 503028858 /nfs/dbraw/zinc/02/88/58/503028858.db2.gz WSJJUCKSEUWQSN-QGZVFWFLSA-N 2 1 355.526 3.012 20 0 FGADMP CC(C)c1cccc(NC(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000513819068 503029397 /nfs/dbraw/zinc/02/93/97/503029397.db2.gz PGLCRFCFWFBRAL-UHFFFAOYSA-N 2 1 373.541 3.183 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000501555775 503037441 /nfs/dbraw/zinc/03/74/41/503037441.db2.gz XHNUDZWADIAAQN-LJQANCHMSA-N 2 1 372.557 3.204 20 0 FGADMP C[C@H]1C[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000501619029 503050915 /nfs/dbraw/zinc/05/09/15/503050915.db2.gz PBGGMSZJRLAMBV-OALUTQOASA-N 2 1 365.521 3.483 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000489909527 503063063 /nfs/dbraw/zinc/06/30/63/503063063.db2.gz QUNHWUKYFILVQV-CTNGQTDRSA-N 2 1 373.541 3.342 20 0 FGADMP COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000489909527 503063066 /nfs/dbraw/zinc/06/30/66/503063066.db2.gz QUNHWUKYFILVQV-CTNGQTDRSA-N 2 1 373.541 3.342 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000510169524 503063538 /nfs/dbraw/zinc/06/35/38/503063538.db2.gz MAXZHFFHKBBBSU-ZWKOTPCHSA-N 2 1 354.494 3.334 20 0 FGADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000510169524 503063541 /nfs/dbraw/zinc/06/35/41/503063541.db2.gz MAXZHFFHKBBBSU-ZWKOTPCHSA-N 2 1 354.494 3.334 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1 ZINC000514010133 503067685 /nfs/dbraw/zinc/06/76/85/503067685.db2.gz SUJIXHGUPLERCI-UNMCSNQZSA-N 2 1 360.542 3.246 20 0 FGADMP CCOc1cc2[nH+]ccc(N[C@H]3CCn4cc[nH+]c4C3)c2cc1OCC ZINC000489944088 503071763 /nfs/dbraw/zinc/07/17/63/503071763.db2.gz JNDXDTJZHVSUFX-AWEZNQCLSA-N 2 1 352.438 3.078 20 0 FGADMP Fc1cccc(Oc2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2)c1 ZINC000489990933 503084719 /nfs/dbraw/zinc/08/47/19/503084719.db2.gz SEJDCBJAZDOYKG-IBGZPJMESA-N 2 1 355.457 3.098 20 0 FGADMP CCC[N@@H+](CC)CCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000506286939 503086601 /nfs/dbraw/zinc/08/66/01/503086601.db2.gz ZQOSOLHHENNMJV-UHFFFAOYSA-N 2 1 352.567 3.016 20 0 FGADMP COCCOCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514100003 503087910 /nfs/dbraw/zinc/08/79/10/503087910.db2.gz SKBOSXXRPRDNAY-YPAWHYETSA-N 2 1 360.542 3.320 20 0 FGADMP COCCOCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514100002 503088286 /nfs/dbraw/zinc/08/82/86/503088286.db2.gz SKBOSXXRPRDNAY-FDFHNCONSA-N 2 1 360.542 3.320 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000510326656 503092856 /nfs/dbraw/zinc/09/28/56/503092856.db2.gz ZCTVTVVIRJDRJX-YXYSEUPNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000510326656 503092859 /nfs/dbraw/zinc/09/28/59/503092859.db2.gz ZCTVTVVIRJDRJX-YXYSEUPNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000510326656 503092864 /nfs/dbraw/zinc/09/28/64/503092864.db2.gz ZCTVTVVIRJDRJX-YXYSEUPNSA-N 2 1 372.557 3.069 20 0 FGADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000498054560 503097003 /nfs/dbraw/zinc/09/70/03/503097003.db2.gz PDGAJDRWHRGENZ-GHTZIAJQSA-N 2 1 357.542 3.087 20 0 FGADMP Cc1[nH+]ccn1CCCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000498163783 503122920 /nfs/dbraw/zinc/12/29/20/503122920.db2.gz RYIKOZXDRMLLML-FXAWDEMLSA-N 2 1 371.529 3.271 20 0 FGADMP CC[N@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C[C@H]1C ZINC000498229281 503136615 /nfs/dbraw/zinc/13/66/15/503136615.db2.gz VRXWGLINKSZJOO-RTBURBONSA-N 2 1 372.557 3.084 20 0 FGADMP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1)c1ccccc1 ZINC000510542728 503138967 /nfs/dbraw/zinc/13/89/67/503138967.db2.gz BOQJHFOLICKPHS-YLJYHZDGSA-N 2 1 358.530 3.019 20 0 FGADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510707814 503177102 /nfs/dbraw/zinc/17/71/02/503177102.db2.gz YQUJEIZLSXLRIY-SFTDATJTSA-N 2 1 371.525 3.016 20 0 FGADMP CSC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761935 503186913 /nfs/dbraw/zinc/18/69/13/503186913.db2.gz PJEFMDVDVSXONX-AZUAARDMSA-N 3 1 361.599 3.314 20 0 FGADMP CSC1(C[NH2+][C@@H](C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH+](C)CC1 ZINC000514761935 503186917 /nfs/dbraw/zinc/18/69/17/503186917.db2.gz PJEFMDVDVSXONX-AZUAARDMSA-N 2 1 361.599 3.314 20 0 FGADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000514764774 503187455 /nfs/dbraw/zinc/18/74/55/503187455.db2.gz GQCANDHXEMNFBS-GOSISDBHSA-N 2 1 360.546 3.071 20 0 FGADMP CC[C@H](C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)[NH+](C)C ZINC000502418577 503196387 /nfs/dbraw/zinc/19/63/87/503196387.db2.gz UHOFANLHLZKULS-OAQYLSRUSA-N 2 1 363.505 3.241 20 0 FGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000502460137 503203525 /nfs/dbraw/zinc/20/35/25/503203525.db2.gz FLPIWUVMAUODKO-MSOLQXFVSA-N 2 1 364.530 3.034 20 0 FGADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1OC ZINC000502460137 503203528 /nfs/dbraw/zinc/20/35/28/503203528.db2.gz FLPIWUVMAUODKO-MSOLQXFVSA-N 2 1 364.530 3.034 20 0 FGADMP Cc1nccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000510980991 503229212 /nfs/dbraw/zinc/22/92/12/503229212.db2.gz RGRTXMSXHGGRQZ-YPAWHYETSA-N 2 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000510980991 503229217 /nfs/dbraw/zinc/22/92/17/503229217.db2.gz RGRTXMSXHGGRQZ-YPAWHYETSA-N 3 1 352.526 3.472 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000510980991 503229222 /nfs/dbraw/zinc/22/92/22/503229222.db2.gz RGRTXMSXHGGRQZ-YPAWHYETSA-N 3 1 352.526 3.472 20 0 FGADMP C[C@@H]1CCC[N@@H+](CCNC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000502633277 503242443 /nfs/dbraw/zinc/24/24/43/503242443.db2.gz XTCJWWPJNFZBRQ-LJQANCHMSA-N 2 1 364.578 3.016 20 0 FGADMP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000502682030 503251127 /nfs/dbraw/zinc/25/11/27/503251127.db2.gz GPEZIIJKTQJJMX-UZKOGDIHSA-N 2 1 371.525 3.016 20 0 FGADMP C[C@@H]1C[N@@H+](CCc2ccc3ccccc3c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490962962 503252866 /nfs/dbraw/zinc/25/28/66/503252866.db2.gz WWQPTYKXKNUUGZ-AUSIDOKSSA-N 2 1 351.538 3.340 20 0 FGADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000502793398 503273574 /nfs/dbraw/zinc/27/35/74/503273574.db2.gz JNLGWSOIWAFPTL-QGZVFWFLSA-N 2 1 360.546 3.289 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000502839465 503285336 /nfs/dbraw/zinc/28/53/36/503285336.db2.gz BEDYOGPOXMFIGG-KDURUIRLSA-N 2 1 366.594 3.308 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000511271299 503290706 /nfs/dbraw/zinc/29/07/06/503290706.db2.gz VPJTXZUPCRDANU-IBGZPJMESA-N 2 1 372.557 3.190 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000502891026 503300142 /nfs/dbraw/zinc/30/01/42/503300142.db2.gz DJHFIYOWDSUXIE-KDURUIRLSA-N 2 1 366.594 3.356 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000502892899 503300986 /nfs/dbraw/zinc/30/09/86/503300986.db2.gz NOEIEFQKXPBSBX-SFHVURJKSA-N 2 1 352.567 3.205 20 0 FGADMP Cc1cccc(NCC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000507464383 503303094 /nfs/dbraw/zinc/30/30/94/503303094.db2.gz XJSUNZIUIIRRQA-PWRODBHTSA-N 2 1 350.510 3.302 20 0 FGADMP C[C@@H]1C[C@H](CCNC(=O)NCCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000511437172 503321564 /nfs/dbraw/zinc/32/15/64/503321564.db2.gz IBQRUKRRIRCDOG-CTNGQTDRSA-N 2 1 372.557 3.072 20 0 FGADMP CC[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000499063429 503324355 /nfs/dbraw/zinc/32/43/55/503324355.db2.gz KZSNBVHWOBIAPD-IBGZPJMESA-N 2 1 361.555 3.438 20 0 FGADMP CCCc1nc(C)c(C[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)o1 ZINC000492025377 503345305 /nfs/dbraw/zinc/34/53/05/503345305.db2.gz UEDBJXSLJTYTTK-UHFFFAOYSA-N 2 1 356.514 3.367 20 0 FGADMP c1cc2c(cc1C[N@H+]1CCC[C@H](c3nnc4n3CCCCC4)C1)C[NH2+]CC2 ZINC000515490779 503348816 /nfs/dbraw/zinc/34/88/16/503348816.db2.gz SEXMLOLHIGBNAE-IBGZPJMESA-N 2 1 365.525 3.030 20 0 FGADMP CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000511921438 503416948 /nfs/dbraw/zinc/41/69/48/503416948.db2.gz GUNXHDDRHJONMW-AABGKKOBSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000511921438 503416950 /nfs/dbraw/zinc/41/69/50/503416950.db2.gz GUNXHDDRHJONMW-AABGKKOBSA-N 2 1 364.578 3.157 20 0 FGADMP CCC[NH+]1CCC[C@H]1CNC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000511921438 503416952 /nfs/dbraw/zinc/41/69/52/503416952.db2.gz GUNXHDDRHJONMW-AABGKKOBSA-N 2 1 364.578 3.157 20 0 FGADMP CCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c2ccccc21 ZINC000499526531 503425876 /nfs/dbraw/zinc/42/58/76/503425876.db2.gz JERLYSGZABJDCC-GOSISDBHSA-N 2 1 370.541 3.149 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000516048189 503436826 /nfs/dbraw/zinc/43/68/26/503436826.db2.gz FKRWVTCGNKCWFW-IRXDYDNUSA-N 2 1 354.922 3.324 20 0 FGADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCc3ccc(OC)cc3C2)CC1 ZINC000512050654 503444099 /nfs/dbraw/zinc/44/40/99/503444099.db2.gz DEFBOOABMZTBSP-UHFFFAOYSA-N 2 1 365.521 3.395 20 0 FGADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)cc(C)c32)CC1 ZINC000493894287 503454577 /nfs/dbraw/zinc/45/45/77/503454577.db2.gz MWEBVUWEWNJKIH-QGZVFWFLSA-N 2 1 367.331 3.445 20 0 FGADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000493940652 503462211 /nfs/dbraw/zinc/46/22/11/503462211.db2.gz JOWNEJGUQMQDTD-BJLQDIEVSA-N 2 1 360.546 3.097 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2ccccc21 ZINC000508454029 503497016 /nfs/dbraw/zinc/49/70/16/503497016.db2.gz HIIBFSKABODIOX-LJQANCHMSA-N 2 1 353.510 3.328 20 0 FGADMP C[C@@H]([NH2+]Cc1ccc2c(c1)oc(=O)n2C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000512247389 503497417 /nfs/dbraw/zinc/49/74/17/503497417.db2.gz YPKBKVVUYOMAFX-VQIMIIECSA-N 2 1 365.477 3.132 20 0 FGADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000499905213 503507813 /nfs/dbraw/zinc/50/78/13/503507813.db2.gz AOWFFDZLWSLQIT-UHFFFAOYSA-N 2 1 357.420 3.452 20 0 FGADMP C[C@@H]1C[C@@H](CC[NH2+][C@H](C(N)=O)c2ccc(F)cc2)C[N@H+]1Cc1ccccc1 ZINC000512289939 503510709 /nfs/dbraw/zinc/51/07/09/503510709.db2.gz QUSNGGLTQGBTOG-BLIXFSHQSA-N 2 1 369.484 3.242 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000494247894 503512236 /nfs/dbraw/zinc/51/22/36/503512236.db2.gz NGFZWAUARMPACK-UTKZUKDTSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000494247894 503512239 /nfs/dbraw/zinc/51/22/39/503512239.db2.gz NGFZWAUARMPACK-UTKZUKDTSA-N 2 1 355.526 3.304 20 0 FGADMP C[C@@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000494247894 503512244 /nfs/dbraw/zinc/51/22/44/503512244.db2.gz NGFZWAUARMPACK-UTKZUKDTSA-N 2 1 355.526 3.304 20 0 FGADMP C[NH+](C)CC1(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)CCC1 ZINC000508643779 503536599 /nfs/dbraw/zinc/53/65/99/503536599.db2.gz ORQPCPKHNDJXRO-UHFFFAOYSA-N 2 1 365.521 3.289 20 0 FGADMP Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1F ZINC000516570879 503539776 /nfs/dbraw/zinc/53/97/76/503539776.db2.gz ISCZWVHADFVSCG-QZTJIDSGSA-N 2 1 372.488 3.438 20 0 FGADMP C[C@@H]([NH2+]CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000508702657 503546996 /nfs/dbraw/zinc/54/69/96/503546996.db2.gz WEPCCNRESVAODB-XAPVIXHLSA-N 2 1 373.585 3.374 20 0 FGADMP COc1ccc2c(c1)OC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000508718617 503550211 /nfs/dbraw/zinc/55/02/11/503550211.db2.gz OAYQZDJIDHIINS-IOMROCGXSA-N 2 1 366.505 3.499 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512434984 503550535 /nfs/dbraw/zinc/55/05/35/503550535.db2.gz CYUGUICEWSWAEN-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCC[C@@H]1CNC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512434984 503550540 /nfs/dbraw/zinc/55/05/40/503550540.db2.gz CYUGUICEWSWAEN-CEWLAPEOSA-N 2 1 372.557 3.071 20 0 FGADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@H]3CC(C)=C[C@H](C)C3)CC2)CC1 ZINC000516692442 503570456 /nfs/dbraw/zinc/57/04/56/503570456.db2.gz QIZAQBOILWJLQW-GHTZIAJQSA-N 2 1 361.574 3.245 20 0 FGADMP C[N@@H+](CCOc1cccc(C[NH2+]Cc2cncc(F)c2)c1)C1CCOCC1 ZINC000494614932 503575184 /nfs/dbraw/zinc/57/51/84/503575184.db2.gz AZQJPQLMHDTLFE-UHFFFAOYSA-N 2 1 373.472 3.000 20 0 FGADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000512578762 503589110 /nfs/dbraw/zinc/58/91/10/503589110.db2.gz RYUAGXGJRYBKOP-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000512578762 503589111 /nfs/dbraw/zinc/58/91/11/503589111.db2.gz RYUAGXGJRYBKOP-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000512578762 503589112 /nfs/dbraw/zinc/58/91/12/503589112.db2.gz RYUAGXGJRYBKOP-HMXCVIKNSA-N 2 1 357.542 3.278 20 0 FGADMP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000500253429 503589664 /nfs/dbraw/zinc/58/96/64/503589664.db2.gz YRYRIWOEJZFDFZ-RTBURBONSA-N 2 1 372.557 3.164 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890674 503590017 /nfs/dbraw/zinc/59/00/17/503590017.db2.gz KCFWNYCJODIBAD-ZBFHGGJFSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890674 503590020 /nfs/dbraw/zinc/59/00/20/503590020.db2.gz KCFWNYCJODIBAD-ZBFHGGJFSA-N 2 1 355.320 3.490 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2Br)[C@H](C)C1 ZINC000508890674 503590024 /nfs/dbraw/zinc/59/00/24/503590024.db2.gz KCFWNYCJODIBAD-ZBFHGGJFSA-N 2 1 355.320 3.490 20 0 FGADMP CC(=O)NCC[C@@H]1CCC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000516814403 503592252 /nfs/dbraw/zinc/59/22/52/503592252.db2.gz AOYSHOSKOQVYQF-NRFANRHFSA-N 2 1 359.558 3.383 20 0 FGADMP CC(=O)NCC[C@@H]1CCC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000516814403 503592257 /nfs/dbraw/zinc/59/22/57/503592257.db2.gz AOYSHOSKOQVYQF-NRFANRHFSA-N 2 1 359.558 3.383 20 0 FGADMP CC(=O)NCC[C@@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000516814403 503592261 /nfs/dbraw/zinc/59/22/61/503592261.db2.gz AOYSHOSKOQVYQF-NRFANRHFSA-N 2 1 359.558 3.383 20 0 FGADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000516860849 503603220 /nfs/dbraw/zinc/60/32/20/503603220.db2.gz SCRGJYSYBDUBFG-FQEVSTJZSA-N 2 1 372.557 3.071 20 0 FGADMP c1ccc(N2CCO[C@H](C[N@@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038868 503649317 /nfs/dbraw/zinc/64/93/17/503649317.db2.gz PWSKNRLETFYSHU-FYYLOGMGSA-N 2 1 371.569 3.480 20 0 FGADMP c1ccc(N2CCO[C@H](C[N@H+]3CCC[C@H](C[NH+]4CCCCCC4)C3)C2)cc1 ZINC000517038868 503649319 /nfs/dbraw/zinc/64/93/19/503649319.db2.gz PWSKNRLETFYSHU-FYYLOGMGSA-N 2 1 371.569 3.480 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C[C@@H]1CC=CCC1 ZINC000543173328 503659963 /nfs/dbraw/zinc/65/99/63/503659963.db2.gz QZFMTFZLLCPGRK-SFHLNBCPSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CC=CCC1 ZINC000543173328 503659970 /nfs/dbraw/zinc/65/99/70/503659970.db2.gz QZFMTFZLLCPGRK-SFHLNBCPSA-N 2 1 355.526 3.054 20 0 FGADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C[C@@H]1CC=CCC1 ZINC000543173328 503659976 /nfs/dbraw/zinc/65/99/76/503659976.db2.gz QZFMTFZLLCPGRK-SFHLNBCPSA-N 2 1 355.526 3.054 20 0 FGADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000529700467 503663806 /nfs/dbraw/zinc/66/38/06/503663806.db2.gz GSJVSTNVMHAEOO-JOCHJYFZSA-N 2 1 371.569 3.476 20 0 FGADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659220 503666122 /nfs/dbraw/zinc/66/61/22/503666122.db2.gz ORUBFQGXPCKZQJ-WMZOPIPTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659220 503666129 /nfs/dbraw/zinc/66/61/29/503666129.db2.gz ORUBFQGXPCKZQJ-WMZOPIPTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659220 503666134 /nfs/dbraw/zinc/66/61/34/503666134.db2.gz ORUBFQGXPCKZQJ-WMZOPIPTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCCOC)c(OC)c2)C[C@@H]1C ZINC000536659220 503666139 /nfs/dbraw/zinc/66/61/39/503666139.db2.gz ORUBFQGXPCKZQJ-WMZOPIPTSA-N 2 1 350.503 3.025 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C/C=C/c1ccccc1F ZINC000495117936 503674316 /nfs/dbraw/zinc/67/43/16/503674316.db2.gz GTADMUMFTPUELV-VQFGERMISA-N 2 1 361.505 3.104 20 0 FGADMP Cc1ccc(NC(=O)CC[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)nc1 ZINC000517231265 503686143 /nfs/dbraw/zinc/68/61/43/503686143.db2.gz YNIMEMZHEQMHNV-SFHVURJKSA-N 2 1 354.498 3.219 20 0 FGADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697220 503686265 /nfs/dbraw/zinc/68/62/65/503686265.db2.gz GXNDHBFULOWXEC-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697220 503686266 /nfs/dbraw/zinc/68/62/66/503686266.db2.gz GXNDHBFULOWXEC-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697220 503686272 /nfs/dbraw/zinc/68/62/72/503686272.db2.gz GXNDHBFULOWXEC-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c3oc(C(=O)OC)cc32)C1 ZINC000536697220 503686274 /nfs/dbraw/zinc/68/62/74/503686274.db2.gz GXNDHBFULOWXEC-AWEZNQCLSA-N 2 1 360.454 3.002 20 0 FGADMP c1ccc([C@@H]2CCC[NH+]2CCOCC[N@H+]2CCC[C@H]2c2ccccn2)nc1 ZINC000533025863 503704884 /nfs/dbraw/zinc/70/48/84/503704884.db2.gz QYUIRDSHVUXGJI-VXKWHMMOSA-N 2 1 366.509 3.467 20 0 FGADMP CC(C)[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000529802857 503705611 /nfs/dbraw/zinc/70/56/11/503705611.db2.gz IIJCQMIAUQXTBT-NRFANRHFSA-N 2 1 357.542 3.087 20 0 FGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245348 503723163 /nfs/dbraw/zinc/72/31/63/503723163.db2.gz RZRZVRNAOIAHTI-FGTMMUONSA-N 2 1 364.505 3.477 20 0 FGADMP C[C@H](c1cccc(F)c1)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000540245348 503723166 /nfs/dbraw/zinc/72/31/66/503723166.db2.gz RZRZVRNAOIAHTI-FGTMMUONSA-N 2 1 364.505 3.477 20 0 FGADMP CCSc1ccc(CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000533101276 503730996 /nfs/dbraw/zinc/73/09/96/503730996.db2.gz NNMSZJMKSJEBRG-UHFFFAOYSA-N 2 1 370.522 3.127 20 0 FGADMP Cn1c2ccc(C[NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2sc1=O ZINC000527238966 503734363 /nfs/dbraw/zinc/73/43/63/503734363.db2.gz WKLHCAMFVXSTLJ-GOSISDBHSA-N 2 1 367.518 3.212 20 0 FGADMP C[C@@H](CNC(=O)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1)[NH+]1CCCC1 ZINC000543380195 503746587 /nfs/dbraw/zinc/74/65/87/503746587.db2.gz IRQWTDSHORSLII-WMZOPIPTSA-N 2 1 358.530 3.094 20 0 FGADMP C[C@@H](CCC(F)(F)F)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000543401656 503755487 /nfs/dbraw/zinc/75/54/87/503755487.db2.gz ZSEOVGWGQOJUCR-YOEHRIQHSA-N 2 1 371.447 3.205 20 0 FGADMP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543403445 503756173 /nfs/dbraw/zinc/75/61/73/503756173.db2.gz BKWXMUMYXHAURN-OAQYLSRUSA-N 2 1 374.479 3.066 20 0 FGADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)CC1 ZINC000543403445 503756180 /nfs/dbraw/zinc/75/61/80/503756180.db2.gz BKWXMUMYXHAURN-OAQYLSRUSA-N 2 1 374.479 3.066 20 0 FGADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000517590924 503780889 /nfs/dbraw/zinc/78/08/89/503780889.db2.gz DMHGELNVRCBKAS-QGZVFWFLSA-N 2 1 352.567 3.061 20 0 FGADMP CC1CC[NH+](CCN[C@@H]2CC3(CC[NH+](C)CC3)Oc3ccccc32)CC1 ZINC000540474983 503781777 /nfs/dbraw/zinc/78/17/77/503781777.db2.gz IWLSJTYZGGLLEQ-HXUWFJFHSA-N 2 1 357.542 3.296 20 0 FGADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000530026495 503799606 /nfs/dbraw/zinc/79/96/06/503799606.db2.gz JEYFMXZGNAGJEG-NRFANRHFSA-N 2 1 355.526 3.419 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C12CCCC2 ZINC000540595327 503827570 /nfs/dbraw/zinc/82/75/70/503827570.db2.gz YXPRJVFDWQHWCQ-CLAROIROSA-N 2 1 372.553 3.197 20 0 FGADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C12CCCC2 ZINC000540595327 503827574 /nfs/dbraw/zinc/82/75/74/503827574.db2.gz YXPRJVFDWQHWCQ-CLAROIROSA-N 2 1 372.553 3.197 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000543659275 503844493 /nfs/dbraw/zinc/84/44/93/503844493.db2.gz ZKSRRRQYIQXATD-GCJKJVERSA-N 2 1 365.521 3.247 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000533506583 503868552 /nfs/dbraw/zinc/86/85/52/503868552.db2.gz ZOOSZTINAFWIPC-FQEVSTJZSA-N 2 1 372.557 3.233 20 0 FGADMP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000533506584 503868657 /nfs/dbraw/zinc/86/86/57/503868657.db2.gz ZOOSZTINAFWIPC-HXUWFJFHSA-N 2 1 372.557 3.233 20 0 FGADMP CC[C@H]([NH2+]CC(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1)C(C)(C)C ZINC000537291763 503870520 /nfs/dbraw/zinc/87/05/20/503870520.db2.gz WXRFKXUMMYAPNV-FQEVSTJZSA-N 2 1 359.558 3.444 20 0 FGADMP C[C@@H](CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000533526612 503876685 /nfs/dbraw/zinc/87/66/85/503876685.db2.gz YRNBTXZIEZWAQK-KRWDZBQOSA-N 2 1 352.482 3.356 20 0 FGADMP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000527667938 503885301 /nfs/dbraw/zinc/88/53/01/503885301.db2.gz WQTBNILXIWWABJ-NRFANRHFSA-N 2 1 372.557 3.345 20 0 FGADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1ccccc1Br ZINC000543807384 503899891 /nfs/dbraw/zinc/89/98/91/503899891.db2.gz NSBMYJANTMXGRJ-INIZCTEOSA-N 2 1 352.276 3.057 20 0 FGADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000518081833 503904987 /nfs/dbraw/zinc/90/49/87/503904987.db2.gz YZKXMFCFSWYIDM-WOJBJXKFSA-N 2 1 372.557 3.167 20 0 FGADMP CC[NH+](CC)CCOc1ccccc1NC(=O)Cn1c[nH+]c2c1CCCC2 ZINC000540884215 503924433 /nfs/dbraw/zinc/92/44/33/503924433.db2.gz LMQPVPUENVTFEW-UHFFFAOYSA-N 2 1 370.497 3.121 20 0 FGADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000518402561 503974939 /nfs/dbraw/zinc/97/49/39/503974939.db2.gz HDXUKTPASHZSQY-WSTZPKSXSA-N 2 1 374.573 3.345 20 0 FGADMP C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+](Cc2cccnc2)C1)C1CCCCC1 ZINC000518428465 503981570 /nfs/dbraw/zinc/98/15/70/503981570.db2.gz SNBQSBQBPATXKG-HXUWFJFHSA-N 2 1 372.557 3.017 20 0 FGADMP C[NH+](C)CC[C@H]([NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O)C(C)(C)C ZINC000544046384 503985653 /nfs/dbraw/zinc/98/56/53/503985653.db2.gz VDECMTZAMUEDKW-CVEARBPZSA-N 2 1 373.463 3.058 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000537648051 503991188 /nfs/dbraw/zinc/99/11/88/503991188.db2.gz QGCBXKDNVOYVQD-MRXNPFEDSA-N 2 1 371.319 3.087 20 0 FGADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000537648051 503991192 /nfs/dbraw/zinc/99/11/92/503991192.db2.gz QGCBXKDNVOYVQD-MRXNPFEDSA-N 2 1 371.319 3.087 20 0 FGADMP C[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[N@H+](C)C1CC1 ZINC000530576320 504015028 /nfs/dbraw/zinc/01/50/28/504015028.db2.gz MTEOKSNBWUGKBO-LJQANCHMSA-N 2 1 365.521 3.288 20 0 FGADMP C[C@H](CNC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1)[N@@H+](C)C1CC1 ZINC000530576320 504015038 /nfs/dbraw/zinc/01/50/38/504015038.db2.gz MTEOKSNBWUGKBO-LJQANCHMSA-N 2 1 365.521 3.288 20 0 FGADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144820 504026973 /nfs/dbraw/zinc/02/69/73/504026973.db2.gz ABVHLQFGULJBJM-MRXNPFEDSA-N 2 1 374.447 3.250 20 0 FGADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C(F)(F)F)CC1 ZINC000544144820 504026977 /nfs/dbraw/zinc/02/69/77/504026977.db2.gz ABVHLQFGULJBJM-MRXNPFEDSA-N 2 1 374.447 3.250 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662922 504043377 /nfs/dbraw/zinc/04/33/77/504043377.db2.gz RAYZYMXYJMXKDJ-YYWHXJBOSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662922 504043380 /nfs/dbraw/zinc/04/33/80/504043380.db2.gz RAYZYMXYJMXKDJ-YYWHXJBOSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc3ccccc3c2)C[C@@H]1C ZINC000530662922 504043383 /nfs/dbraw/zinc/04/33/83/504043383.db2.gz RAYZYMXYJMXKDJ-YYWHXJBOSA-N 2 1 356.510 3.384 20 0 FGADMP CN(CC[N@@H+](C)Cc1cc(Cl)cc2cccnc21)C1CC[NH+](C)CC1 ZINC000534216680 504074160 /nfs/dbraw/zinc/07/41/60/504074160.db2.gz ATKSKQLMSMLWHS-UHFFFAOYSA-N 2 1 360.933 3.346 20 0 FGADMP C[C@H]1C[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@H+]1Cc1ccccc1 ZINC000518985193 504111268 /nfs/dbraw/zinc/11/12/68/504111268.db2.gz QNCKBHWHNVROOZ-XHRGMSINSA-N 2 1 369.553 3.278 20 0 FGADMP CN(CC[N@@H+](C)C1CC1)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000547453848 504111653 /nfs/dbraw/zinc/11/16/53/504111653.db2.gz JLBIGTIGXPEDCM-UHFFFAOYSA-N 2 1 374.529 3.109 20 0 FGADMP CC[NH+](CC)C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000519078357 504134139 /nfs/dbraw/zinc/13/41/39/504134139.db2.gz OMJVULDRONTKNV-RTBURBONSA-N 2 1 374.573 3.448 20 0 FGADMP CC[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccccc1OCC(=O)N1CCCC1 ZINC000538155679 504148007 /nfs/dbraw/zinc/14/80/07/504148007.db2.gz XSEUPFUZXAHOJY-FQEVSTJZSA-N 2 1 373.541 3.214 20 0 FGADMP CCC[C@@H](C)C[NH+]1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000538306292 504199182 /nfs/dbraw/zinc/19/91/82/504199182.db2.gz NUBHBOUPTLTQSO-LJQANCHMSA-N 2 1 359.558 3.383 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000519356822 504201020 /nfs/dbraw/zinc/20/10/20/504201020.db2.gz XEBSXIABUMKZFM-GIVPXCGWSA-N 2 1 370.541 3.092 20 0 FGADMP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)Cn1c[nH+]c2c1CCCC2 ZINC000544675650 504212517 /nfs/dbraw/zinc/21/25/17/504212517.db2.gz QKAJTRYQYAXRKM-UHFFFAOYSA-N 2 1 374.916 3.006 20 0 FGADMP Cc1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531190524 504220506 /nfs/dbraw/zinc/22/05/06/504220506.db2.gz HRGTTYNILNNVEE-KRWDZBQOSA-N 2 1 373.545 3.051 20 0 FGADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378472 504284977 /nfs/dbraw/zinc/28/49/77/504284977.db2.gz NZIIFSAFXZCOGL-YSIASYRMSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378472 504284981 /nfs/dbraw/zinc/28/49/81/504284981.db2.gz NZIIFSAFXZCOGL-YSIASYRMSA-N 2 1 356.510 3.384 20 0 FGADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc3ccccc32)C[C@@H]1C ZINC000531378472 504284988 /nfs/dbraw/zinc/28/49/88/504284988.db2.gz NZIIFSAFXZCOGL-YSIASYRMSA-N 2 1 356.510 3.384 20 0 FGADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(Br)c2)C1 ZINC000519696867 504307247 /nfs/dbraw/zinc/30/72/47/504307247.db2.gz DRFGGEIEXXMEML-AWEZNQCLSA-N 2 1 368.319 3.099 20 0 FGADMP O=C(CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984927 504324146 /nfs/dbraw/zinc/32/41/46/504324146.db2.gz SMUJPMWIKQEZTJ-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984927 504324149 /nfs/dbraw/zinc/32/41/49/504324149.db2.gz SMUJPMWIKQEZTJ-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984927 504324152 /nfs/dbraw/zinc/32/41/52/504324152.db2.gz SMUJPMWIKQEZTJ-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP O=C(CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1)N1CCCCC1 ZINC000541984927 504324154 /nfs/dbraw/zinc/32/41/54/504324154.db2.gz SMUJPMWIKQEZTJ-FGZHOGPDSA-N 2 1 369.553 3.376 20 0 FGADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000528673764 504325096 /nfs/dbraw/zinc/32/50/96/504325096.db2.gz ULKYISCKLVKAHZ-SFHVURJKSA-N 2 1 367.497 3.461 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)CC1 ZINC000519772376 504333451 /nfs/dbraw/zinc/33/34/51/504333451.db2.gz FKAFCJBJLGLSNH-UHFFFAOYSA-N 2 1 355.526 3.310 20 0 FGADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC)C1 ZINC000528703532 504339193 /nfs/dbraw/zinc/33/91/93/504339193.db2.gz PNJWEVURKAWRTD-YPAWHYETSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000528703532 504339200 /nfs/dbraw/zinc/33/92/00/504339200.db2.gz PNJWEVURKAWRTD-YPAWHYETSA-N 2 1 371.569 3.335 20 0 FGADMP CCC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000528703532 504339208 /nfs/dbraw/zinc/33/92/08/504339208.db2.gz PNJWEVURKAWRTD-YPAWHYETSA-N 2 1 371.569 3.335 20 0 FGADMP COc1cccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1OC(F)F ZINC000538752159 504359044 /nfs/dbraw/zinc/35/90/44/504359044.db2.gz MNVVLJLTQIVMIX-OAHLLOKOSA-N 2 1 354.441 3.460 20 0 FGADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC000519923064 504383918 /nfs/dbraw/zinc/38/39/18/504383918.db2.gz GJVAATNUUOZKCK-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C1 ZINC000519923064 504383921 /nfs/dbraw/zinc/38/39/21/504383921.db2.gz GJVAATNUUOZKCK-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C1 ZINC000519923064 504383924 /nfs/dbraw/zinc/38/39/24/504383924.db2.gz GJVAATNUUOZKCK-KRWDZBQOSA-N 2 1 352.567 3.013 20 0 FGADMP O=C([C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000528801640 504389380 /nfs/dbraw/zinc/38/93/80/504389380.db2.gz JJBJROWMSYCVJU-IBGZPJMESA-N 2 1 372.900 3.434 20 0 FGADMP O=C([C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)N1CCC(c2c[nH]cn2)CC1 ZINC000528801640 504389384 /nfs/dbraw/zinc/38/93/84/504389384.db2.gz JJBJROWMSYCVJU-IBGZPJMESA-N 2 1 372.900 3.434 20 0 FGADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C[NH+](Cc2ccccc2)C3)CC[N@H+]1C ZINC000542185194 504396484 /nfs/dbraw/zinc/39/64/84/504396484.db2.gz IQFXQFVTRBOXCU-KTDPBYDISA-N 2 1 369.553 3.230 20 0 FGADMP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1)C[NH+]1CCCC1 ZINC000520069021 504406548 /nfs/dbraw/zinc/40/65/48/504406548.db2.gz ZSOCVOAZBFXRFY-PZJWPPBQSA-N 2 1 372.557 3.072 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[NH+](C(C)(C)C)CC2)C[N@H+]1Cc1ccccc1 ZINC000531804756 504430734 /nfs/dbraw/zinc/43/07/34/504430734.db2.gz SKEPVQTWRMATBC-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804756 504430740 /nfs/dbraw/zinc/43/07/40/504430740.db2.gz SKEPVQTWRMATBC-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)C[NH+]1Cc1ccccc1 ZINC000531804756 504430744 /nfs/dbraw/zinc/43/07/44/504430744.db2.gz SKEPVQTWRMATBC-UYAOXDASSA-N 2 1 372.557 3.165 20 0 FGADMP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)C(C)(C)C ZINC000535426967 504433204 /nfs/dbraw/zinc/43/32/04/504433204.db2.gz HMRLSSATMACOPL-QYZOEREBSA-N 2 1 360.546 3.097 20 0 FGADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229855 504441754 /nfs/dbraw/zinc/44/17/54/504441754.db2.gz SLUGJYAEYARIIV-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229855 504441759 /nfs/dbraw/zinc/44/17/59/504441759.db2.gz SLUGJYAEYARIIV-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000520229855 504441761 /nfs/dbraw/zinc/44/17/61/504441761.db2.gz SLUGJYAEYARIIV-QFIPXVFZSA-N 2 1 365.521 3.147 20 0 FGADMP Cc1nn(C)c(C)c1CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548481927 504461123 /nfs/dbraw/zinc/46/11/23/504461123.db2.gz SUUCIGFAXAWCHJ-UWJYYQICSA-N 2 1 354.542 3.470 20 0 FGADMP C[C@@H]([NH2+]CCC(=O)NCc1ccccc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548483285 504461544 /nfs/dbraw/zinc/46/15/44/504461544.db2.gz WAGWAPPDUDMGKI-DENIHFKCSA-N 2 1 365.521 3.193 20 0 FGADMP Cc1nc(C)c([C@@H](C)[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000531932886 504478754 /nfs/dbraw/zinc/47/87/54/504478754.db2.gz STBLPXNJDAJISA-CJNGLKHVSA-N 2 1 364.584 3.461 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996425 504487926 /nfs/dbraw/zinc/48/79/26/504487926.db2.gz OVXWYMQXHUGRKO-HNAYVOBHSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1)C1=CC[NH+](C)CC1 ZINC000528996425 504487930 /nfs/dbraw/zinc/48/79/30/504487930.db2.gz OVXWYMQXHUGRKO-HNAYVOBHSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@H+](C)CC1 ZINC000528996425 504487936 /nfs/dbraw/zinc/48/79/36/504487936.db2.gz OVXWYMQXHUGRKO-HNAYVOBHSA-N 2 1 361.917 3.071 20 0 FGADMP C[C@H](NC(=O)[C@H]1CCC[NH+]1Cc1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000528996425 504487938 /nfs/dbraw/zinc/48/79/38/504487938.db2.gz OVXWYMQXHUGRKO-HNAYVOBHSA-N 2 1 361.917 3.071 20 0 FGADMP Cc1[nH+]ccn1CC[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000535664636 504500362 /nfs/dbraw/zinc/50/03/62/504500362.db2.gz GFJMQHYOZDBUSE-UHFFFAOYSA-N 2 1 364.287 3.250 20 0 FGADMP Cc1ccccc1[C@@H](CN1CCOCC1)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000542478736 504506412 /nfs/dbraw/zinc/50/64/12/504506412.db2.gz OWXHLDUTDAEUMA-SIKLNZKXSA-N 2 1 359.558 3.080 20 0 FGADMP CCN1CCC([NH2+]CCc2ccc(OCC[NH+]3C[C@H](C)[C@@H](C)C3)cc2)CC1 ZINC000539294398 504521819 /nfs/dbraw/zinc/52/18/19/504521819.db2.gz CYVCTJWLJVSNHJ-PMACEKPBSA-N 2 1 373.585 3.270 20 0 FGADMP CC(C)[C@H](CNC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+]1CCCC1 ZINC000520614122 504540453 /nfs/dbraw/zinc/54/04/53/504540453.db2.gz SZVUNLSTQRJHSL-NRFANRHFSA-N 2 1 374.573 3.446 20 0 FGADMP CC[C@H](C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21)N1CCCC1 ZINC000539364921 504542339 /nfs/dbraw/zinc/54/23/39/504542339.db2.gz JHGWVCBSOUOHMT-QUCCMNQESA-N 2 1 357.542 3.439 20 0 FGADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000542710980 504584076 /nfs/dbraw/zinc/58/40/76/504584076.db2.gz RUQGHUHNWAAKJY-WAOWUJCRSA-N 2 1 372.557 3.194 20 0 FGADMP C[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1cccs1 ZINC000542715952 504586059 /nfs/dbraw/zinc/58/60/59/504586059.db2.gz LGQAWUBWYVHIQJ-QRWLVFNGSA-N 2 1 372.538 3.023 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]c3c2CCCC3)[C@H]1c1cccs1 ZINC000542715952 504586062 /nfs/dbraw/zinc/58/60/62/504586062.db2.gz LGQAWUBWYVHIQJ-QRWLVFNGSA-N 2 1 372.538 3.023 20 0 FGADMP O=C(Cn1c[nH+]c2c1CCCC2)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000542744791 504593589 /nfs/dbraw/zinc/59/35/89/504593589.db2.gz IQUIHVMEENNXNU-UHFFFAOYSA-N 2 1 352.482 3.039 20 0 FGADMP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000536072410 504624650 /nfs/dbraw/zinc/62/46/50/504624650.db2.gz QPNCIMJGSCNLMX-LJQANCHMSA-N 2 1 361.555 3.091 20 0 FGADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1CCSC1 ZINC000536072410 504624655 /nfs/dbraw/zinc/62/46/55/504624655.db2.gz QPNCIMJGSCNLMX-LJQANCHMSA-N 2 1 361.555 3.091 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000542851500 504634618 /nfs/dbraw/zinc/63/46/18/504634618.db2.gz INTXEGDSKUYZGA-UXHICEINSA-N 2 1 357.473 3.418 20 0 FGADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000542851500 504634620 /nfs/dbraw/zinc/63/46/20/504634620.db2.gz INTXEGDSKUYZGA-UXHICEINSA-N 2 1 357.473 3.418 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000532446729 504655274 /nfs/dbraw/zinc/65/52/74/504655274.db2.gz UUEDOZPTOWRYMT-RXVVDRJESA-N 2 1 369.509 3.107 20 0 FGADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000532446729 504655281 /nfs/dbraw/zinc/65/52/81/504655281.db2.gz UUEDOZPTOWRYMT-RXVVDRJESA-N 2 1 369.509 3.107 20 0 FGADMP C[C@@H](CNC(=O)NCCCCC[NH+]1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000521167214 504667081 /nfs/dbraw/zinc/66/70/81/504667081.db2.gz HCOICWPOUIJIML-OALUTQOASA-N 2 1 352.567 3.062 20 0 FGADMP C[C@H]1C[N@@H+](Cc2cccc(-c3ccncc3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000539822806 504703941 /nfs/dbraw/zinc/70/39/41/504703941.db2.gz MWQYSVMZBDQOFT-WMZHIEFXSA-N 2 1 364.537 3.206 20 0 FGADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000521354832 504716668 /nfs/dbraw/zinc/71/66/68/504716668.db2.gz GSDZFFHUMHYEHM-FQEVSTJZSA-N 2 1 372.557 3.024 20 0 FGADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C3CC(F)(F)C3)cc2)CC1 ZINC000529533525 504717711 /nfs/dbraw/zinc/71/77/11/504717711.db2.gz QYQLCBIWVIFFNN-MRXNPFEDSA-N 2 1 351.485 3.348 20 0 FGADMP C[NH2+]Cc1ccc(NC(=O)c2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)cc1 ZINC000521441325 504739062 /nfs/dbraw/zinc/73/90/62/504739062.db2.gz KWMWLSSETAMOID-IRXDYDNUSA-N 2 1 367.493 3.268 20 0 FGADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000529669383 504756995 /nfs/dbraw/zinc/75/69/95/504756995.db2.gz MDQZDUVLHJBYDP-UHFFFAOYSA-N 2 1 372.476 3.379 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCc2ccccc2C)CC1)CC1CC1 ZINC000540050000 504765861 /nfs/dbraw/zinc/76/58/61/504765861.db2.gz VXECUUWRVWUYHH-UHFFFAOYSA-N 2 1 371.569 3.445 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)ccn1 ZINC000562353369 504792866 /nfs/dbraw/zinc/79/28/66/504792866.db2.gz SNGQXBPRJGRSMQ-IRXDYDNUSA-N 2 1 355.482 3.162 20 0 FGADMP COc1cc([C@H](C)[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)ccn1 ZINC000562353369 504792869 /nfs/dbraw/zinc/79/28/69/504792869.db2.gz SNGQXBPRJGRSMQ-IRXDYDNUSA-N 2 1 355.482 3.162 20 0 FGADMP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000565154560 504809772 /nfs/dbraw/zinc/80/97/72/504809772.db2.gz BHTMIKMSRQLCAQ-PKOBYXMFSA-N 2 1 354.498 3.035 20 0 FGADMP CC(C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCC(C)CC1 ZINC000565265118 504837429 /nfs/dbraw/zinc/83/74/29/504837429.db2.gz NVNPYUVBBPFUME-SFHVURJKSA-N 2 1 350.576 3.458 20 0 FGADMP C[NH+](C)CCc1ccc(C(=O)NCCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000553211102 504853532 /nfs/dbraw/zinc/85/35/32/504853532.db2.gz CZDIRIDLFURXEQ-UHFFFAOYSA-N 2 1 353.510 3.043 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000565366315 504866843 /nfs/dbraw/zinc/86/68/43/504866843.db2.gz ARXIQYQRZYBOOC-WLRLJWMZSA-N 2 1 361.574 3.410 20 0 FGADMP C[C@H]1CCCC[N@@H+]1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549737572 504885014 /nfs/dbraw/zinc/88/50/14/504885014.db2.gz OVIWBSZBSOIUDV-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000549737572 504885018 /nfs/dbraw/zinc/88/50/18/504885018.db2.gz OVIWBSZBSOIUDV-YJBOKZPZSA-N 2 1 351.922 3.323 20 0 FGADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000549762657 504890901 /nfs/dbraw/zinc/89/09/01/504890901.db2.gz CFYRIOMFELFONJ-QHAWAJNXSA-N 2 1 357.542 3.371 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559737952 504919284 /nfs/dbraw/zinc/91/92/84/504919284.db2.gz YSVPPVTVDZWQST-KOUHRCEDSA-N 2 1 359.558 3.299 20 0 FGADMP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@H](C)O1 ZINC000559737952 504919288 /nfs/dbraw/zinc/91/92/88/504919288.db2.gz YSVPPVTVDZWQST-KOUHRCEDSA-N 2 1 359.558 3.299 20 0 FGADMP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000559789665 504928403 /nfs/dbraw/zinc/92/84/03/504928403.db2.gz QDXRNJHJFCCNGN-IFMALSPDSA-N 2 1 360.505 3.494 20 0 FGADMP C[N@H+]1CC[C@@H]([NH2+]CCNc2ccc3ccccc3n2)C[C@@H]1c1ccccc1 ZINC000559789665 504928405 /nfs/dbraw/zinc/92/84/05/504928405.db2.gz QDXRNJHJFCCNGN-IFMALSPDSA-N 2 1 360.505 3.494 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3C[C@@H](C)[C@@H]3c3ccccc3)CC2)CC1 ZINC000553492680 504930998 /nfs/dbraw/zinc/93/09/98/504930998.db2.gz GXPZZGKDLYSTGU-XMSQKQJNSA-N 2 1 369.553 3.402 20 0 FGADMP O=C(Nc1cnc2n1CCCC2)[C@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000562747757 504931509 /nfs/dbraw/zinc/93/15/09/504931509.db2.gz HMTBKOGPDVUSCS-MRXNPFEDSA-N 2 1 374.435 3.315 20 0 FGADMP O=C(Nc1cnc2n1CCCC2)[C@H]1CN(Cc2ccccc2)CCC1(F)F ZINC000562747757 504931514 /nfs/dbraw/zinc/93/15/14/504931514.db2.gz HMTBKOGPDVUSCS-MRXNPFEDSA-N 2 1 374.435 3.315 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1F ZINC000565612185 504937125 /nfs/dbraw/zinc/93/71/25/504937125.db2.gz IVARMDNVUJGXMV-TZIWHRDSSA-N 2 1 369.484 3.289 20 0 FGADMP C[C@@H]1C[C@@H](NC(=O)Nc2cccc3c2CC[NH2+]C3)C[N@H+]1Cc1ccccc1 ZINC000562767653 504938710 /nfs/dbraw/zinc/93/87/10/504938710.db2.gz LGIBUMMJVGBOPZ-VQIMIIECSA-N 2 1 364.493 3.117 20 0 FGADMP O=C(NC[C@@H]1CCC[N@H+]1CC1CCCCC1)Nc1ccc2c(c1)C[NH2+]C2 ZINC000562772910 504940593 /nfs/dbraw/zinc/94/05/93/504940593.db2.gz FLHZDEPHAIEGPG-FQEVSTJZSA-N 2 1 356.514 3.456 20 0 FGADMP CCNC(=O)C1(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)CCC1 ZINC000559898834 504946680 /nfs/dbraw/zinc/94/66/80/504946680.db2.gz ANHXFZWQVSVVDK-UHFFFAOYSA-N 2 1 357.542 3.326 20 0 FGADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000559906827 504948304 /nfs/dbraw/zinc/94/83/04/504948304.db2.gz DVAFGDRAABOFMX-LJQANCHMSA-N 2 1 353.470 3.072 20 0 FGADMP CO[C@H]1CC[N@H+](CCCCOc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000565717045 504967390 /nfs/dbraw/zinc/96/73/90/504967390.db2.gz RFJMBHBGPSXZMS-CABCVRRESA-N 2 1 360.420 3.303 20 0 FGADMP CO[C@H]1CC[N@@H+](CCCCOc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000565717045 504967393 /nfs/dbraw/zinc/96/73/93/504967393.db2.gz RFJMBHBGPSXZMS-CABCVRRESA-N 2 1 360.420 3.303 20 0 FGADMP Cc1nc(C[NH+]2CCC(C(=O)Nc3ccccc3C[NH+](C)C)CC2)cs1 ZINC000553857529 505025586 /nfs/dbraw/zinc/02/55/86/505025586.db2.gz WMKXWMQYJNSASB-UHFFFAOYSA-N 2 1 372.538 3.364 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917910 505026234 /nfs/dbraw/zinc/02/62/34/505026234.db2.gz STNUCDRWWKZETB-ZIAGYGMSSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917910 505026239 /nfs/dbraw/zinc/02/62/39/505026239.db2.gz STNUCDRWWKZETB-ZIAGYGMSSA-N 2 1 350.450 3.124 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)CC(F)(F)F)C2)s1 ZINC000565917910 505026243 /nfs/dbraw/zinc/02/62/43/505026243.db2.gz STNUCDRWWKZETB-ZIAGYGMSSA-N 2 1 350.450 3.124 20 0 FGADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CC1 ZINC000560246135 505028916 /nfs/dbraw/zinc/02/89/16/505028916.db2.gz MNLIJNKKWFKDKN-SFTDATJTSA-N 2 1 359.558 3.096 20 0 FGADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC3CCC(c4ccccc4)CC3)C2)nn1 ZINC000556963867 505032436 /nfs/dbraw/zinc/03/24/36/505032436.db2.gz NIJNZNJRROPPKB-CNBHCMJISA-N 2 1 353.514 3.348 20 0 FGADMP O=C(C[N@H+]1CC[C@@H](CC2CC2)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000550409619 505036372 /nfs/dbraw/zinc/03/63/72/505036372.db2.gz RNVXEADPDGWHLQ-IBGZPJMESA-N 2 1 373.566 3.296 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000566006844 505053588 /nfs/dbraw/zinc/05/35/88/505053588.db2.gz SJDTTZWYBPDCCW-JOCHJYFZSA-N 2 1 365.521 3.162 20 0 FGADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000566006844 505053591 /nfs/dbraw/zinc/05/35/91/505053591.db2.gz SJDTTZWYBPDCCW-JOCHJYFZSA-N 2 1 365.521 3.162 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550623733 505075662 /nfs/dbraw/zinc/07/56/62/505075662.db2.gz ZHJRWPOMMHICIS-NHCUHLMSSA-N 2 1 351.494 3.150 20 0 FGADMP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cc1 ZINC000550623733 505075668 /nfs/dbraw/zinc/07/56/68/505075668.db2.gz ZHJRWPOMMHICIS-NHCUHLMSSA-N 2 1 351.494 3.150 20 0 FGADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2)[C@H]1CCCO1 ZINC000563300010 505101021 /nfs/dbraw/zinc/10/10/21/505101021.db2.gz ABLMWMQYJISVSS-SESVDKBCSA-N 2 1 358.526 3.072 20 0 FGADMP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132278 505101123 /nfs/dbraw/zinc/10/11/23/505101123.db2.gz NSZSRIKIAXLKIW-XMSQKQJNSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132278 505101126 /nfs/dbraw/zinc/10/11/26/505101126.db2.gz NSZSRIKIAXLKIW-XMSQKQJNSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132269 505101368 /nfs/dbraw/zinc/10/13/68/505101368.db2.gz NSZSRIKIAXLKIW-GCJKJVERSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCn4c(c[nH+]c4C4CCCCC4)C3)C2)C1 ZINC000554132269 505101370 /nfs/dbraw/zinc/10/13/70/505101370.db2.gz NSZSRIKIAXLKIW-GCJKJVERSA-N 2 1 370.541 3.047 20 0 FGADMP C[N@@H+]1CCC[C@H](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507078 505108454 /nfs/dbraw/zinc/10/84/54/505108454.db2.gz WOBUSKNWDUXTEJ-MJGOQNOKSA-N 2 1 372.557 3.341 20 0 FGADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCn3c(c[nH+]c3C3CCCCC3)C2)C1 ZINC000560507078 505108457 /nfs/dbraw/zinc/10/84/57/505108457.db2.gz WOBUSKNWDUXTEJ-MJGOQNOKSA-N 2 1 372.557 3.341 20 0 FGADMP Cc1ccnc([C@@H](C)[NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000560514152 505110615 /nfs/dbraw/zinc/11/06/15/505110615.db2.gz SMTDRYINHVFMTB-DENIHFKCSA-N 2 1 352.526 3.419 20 0 FGADMP Cc1sccc1CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560523811 505113711 /nfs/dbraw/zinc/11/37/11/505113711.db2.gz CNJKHPYDDNFGSM-OAQYLSRUSA-N 2 1 355.551 3.449 20 0 FGADMP Cc1sccc1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560523811 505113721 /nfs/dbraw/zinc/11/37/21/505113721.db2.gz CNJKHPYDDNFGSM-OAQYLSRUSA-N 2 1 355.551 3.449 20 0 FGADMP CC1(C)C[NH2+]CC[C@@H]1NC(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000566213380 505113774 /nfs/dbraw/zinc/11/37/74/505113774.db2.gz NWRVRBORXQYUTA-NRFANRHFSA-N 2 1 365.521 3.193 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@@H]21 ZINC000566244232 505121741 /nfs/dbraw/zinc/12/17/41/505121741.db2.gz DYTULJOCZOVBKE-XAPVIXHLSA-N 2 1 355.526 3.093 20 0 FGADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N[C@H](c3ccccc3)C3CCCC3)C[C@@H]21 ZINC000566244232 505121746 /nfs/dbraw/zinc/12/17/46/505121746.db2.gz DYTULJOCZOVBKE-XAPVIXHLSA-N 2 1 355.526 3.093 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000560548094 505122468 /nfs/dbraw/zinc/12/24/68/505122468.db2.gz KTTQGUKYYBRDBR-IXDOHACOSA-N 2 1 352.320 3.323 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000551021549 505143680 /nfs/dbraw/zinc/14/36/80/505143680.db2.gz GWQQSDHAFWPJEH-OAQYLSRUSA-N 2 1 366.509 3.139 20 0 FGADMP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)c1 ZINC000551021549 505143685 /nfs/dbraw/zinc/14/36/85/505143685.db2.gz GWQQSDHAFWPJEH-OAQYLSRUSA-N 2 1 366.509 3.139 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551084364 505153917 /nfs/dbraw/zinc/15/39/17/505153917.db2.gz YTRXRDOZMJSQAN-FPOVZHCZSA-N 2 1 368.477 3.164 20 0 FGADMP COC(=O)COc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)c1 ZINC000551084364 505153921 /nfs/dbraw/zinc/15/39/21/505153921.db2.gz YTRXRDOZMJSQAN-FPOVZHCZSA-N 2 1 368.477 3.164 20 0 FGADMP C[N@H+]1CC[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[C@H]1c1ccccc1 ZINC000551087646 505154887 /nfs/dbraw/zinc/15/48/87/505154887.db2.gz VNXVQLPEMFGLPP-GSPCLOLRSA-N 2 1 371.569 3.179 20 0 FGADMP c1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000563501782 505159205 /nfs/dbraw/zinc/15/92/05/505159205.db2.gz HFTMKUCGJABZJC-SFHVURJKSA-N 2 1 357.523 3.162 20 0 FGADMP c1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCOCC3)s1 ZINC000563501782 505159211 /nfs/dbraw/zinc/15/92/11/505159211.db2.gz HFTMKUCGJABZJC-SFHVURJKSA-N 2 1 357.523 3.162 20 0 FGADMP COc1ccc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655097 505202344 /nfs/dbraw/zinc/20/23/44/505202344.db2.gz HELRXOZRONJHPX-UXHICEINSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655097 505202347 /nfs/dbraw/zinc/20/23/47/505202347.db2.gz HELRXOZRONJHPX-UXHICEINSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655097 505202349 /nfs/dbraw/zinc/20/23/49/505202349.db2.gz HELRXOZRONJHPX-UXHICEINSA-N 2 1 352.478 3.355 20 0 FGADMP COc1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1O ZINC000563655097 505202353 /nfs/dbraw/zinc/20/23/53/505202353.db2.gz HELRXOZRONJHPX-UXHICEINSA-N 2 1 352.478 3.355 20 0 FGADMP CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000554622077 505225459 /nfs/dbraw/zinc/22/54/59/505225459.db2.gz MGMBBUPFTKVYHJ-UYAOXDASSA-N 2 1 360.546 3.023 20 0 FGADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)CC1 ZINC000561109514 505253162 /nfs/dbraw/zinc/25/31/62/505253162.db2.gz XJIVQOLRWPLVAJ-UHFFFAOYSA-N 2 1 369.553 3.374 20 0 FGADMP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+][C@H](C)[C@H]3CC[N@@H+](Cc4ccccc4)C3)[C@H]2C1 ZINC000554741826 505253709 /nfs/dbraw/zinc/25/37/09/505253709.db2.gz PHFPGCWDYBMLSX-GLBNMMOUSA-N 2 1 369.553 3.134 20 0 FGADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)[C@H]1c1cccs1 ZINC000563955555 505287664 /nfs/dbraw/zinc/28/76/64/505287664.db2.gz KURLHIJFSBSCJB-POAQFYNOSA-N 2 1 369.534 3.134 20 0 FGADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000566855171 505292518 /nfs/dbraw/zinc/29/25/18/505292518.db2.gz VKPRDYRVYLMEMI-LEWJYISDSA-N 2 1 369.553 3.135 20 0 FGADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cc1 ZINC000561279261 505302942 /nfs/dbraw/zinc/30/29/42/505302942.db2.gz NANSNWHYMWPCKG-RTBURBONSA-N 2 1 368.525 3.150 20 0 FGADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000558083685 505303796 /nfs/dbraw/zinc/30/37/96/505303796.db2.gz KPLIMWOHNJJDLS-HDICACEKSA-N 2 1 368.562 3.177 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000551805563 505313171 /nfs/dbraw/zinc/31/31/71/505313171.db2.gz VFELRUHEKLPCLV-LEOXJPRUSA-N 2 1 367.537 3.408 20 0 FGADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cc1 ZINC000551805563 505313172 /nfs/dbraw/zinc/31/31/72/505313172.db2.gz VFELRUHEKLPCLV-LEOXJPRUSA-N 2 1 367.537 3.408 20 0 FGADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000566983045 505330843 /nfs/dbraw/zinc/33/08/43/505330843.db2.gz VGPYPNGHMCBDJW-LJQANCHMSA-N 2 1 355.526 3.032 20 0 FGADMP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000561508672 505363891 /nfs/dbraw/zinc/36/38/91/505363891.db2.gz HRRSUNLBWUUGCM-FQEVSTJZSA-N 2 1 364.578 3.206 20 0 FGADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294119 505374375 /nfs/dbraw/zinc/37/43/75/505374375.db2.gz WMQOGSIDKWGYOH-IEBWSBKVSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294119 505374378 /nfs/dbraw/zinc/37/43/78/505374378.db2.gz WMQOGSIDKWGYOH-IEBWSBKVSA-N 2 1 352.544 3.353 20 0 FGADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCO[C@@H]3CCCCO3)C2)s1 ZINC000564294119 505374381 /nfs/dbraw/zinc/37/43/81/505374381.db2.gz WMQOGSIDKWGYOH-IEBWSBKVSA-N 2 1 352.544 3.353 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc(OC(F)F)c1 ZINC000564319317 505383025 /nfs/dbraw/zinc/38/30/25/505383025.db2.gz HTZFSPLVOSSPPK-QGZVFWFLSA-N 2 1 355.473 3.136 20 0 FGADMP COc1cc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423163 505385182 /nfs/dbraw/zinc/38/51/82/505385182.db2.gz HDWDZVWRUFXYNF-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423163 505385185 /nfs/dbraw/zinc/38/51/85/505385185.db2.gz HDWDZVWRUFXYNF-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423163 505385187 /nfs/dbraw/zinc/38/51/87/505385187.db2.gz HDWDZVWRUFXYNF-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423163 505385189 /nfs/dbraw/zinc/38/51/89/505385189.db2.gz HDWDZVWRUFXYNF-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(SC)cc1OC ZINC000558423163 505385191 /nfs/dbraw/zinc/38/51/91/505385191.db2.gz HDWDZVWRUFXYNF-HOCLYGCPSA-N 2 1 350.528 3.342 20 0 FGADMP Cc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000555229029 505385229 /nfs/dbraw/zinc/38/52/29/505385229.db2.gz CDNIMLURZCWESH-FQEVSTJZSA-N 2 1 351.494 3.153 20 0 FGADMP C[C@@H]1CCC[C@@](CNC(=O)N2CCC[N@H+](C3CCCC3)CC2)([NH+](C)C)C1 ZINC000558447280 505392813 /nfs/dbraw/zinc/39/28/13/505392813.db2.gz JLMVCWWMMOUGPK-WIYYLYMNSA-N 2 1 364.578 3.157 20 0 FGADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000552244947 505439899 /nfs/dbraw/zinc/43/98/99/505439899.db2.gz OCVLGVUCIWIDAZ-QMKUDKLTSA-N 2 1 363.496 3.392 20 0 FGADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cnn(C2CCCC2)c1 ZINC000558621106 505442354 /nfs/dbraw/zinc/44/23/54/505442354.db2.gz IPFFJVQUSLMRME-NDXORKPFSA-N 2 1 360.546 3.417 20 0 FGADMP Cc1c[nH+]ccc1OC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000567427775 505458572 /nfs/dbraw/zinc/45/85/72/505458572.db2.gz YBYVNOVISMINQR-UHFFFAOYSA-N 2 1 374.529 3.065 20 0 FGADMP C[NH+](C)CCCCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000558691648 505465103 /nfs/dbraw/zinc/46/51/03/505465103.db2.gz BHSAUHKOIKSNPI-UHFFFAOYSA-N 2 1 356.308 3.181 20 0 FGADMP CC(C)[C@H](NC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000555598290 505469310 /nfs/dbraw/zinc/46/93/10/505469310.db2.gz QAUVZTDTZYYSIS-LEWJYISDSA-N 2 1 361.505 3.057 20 0 FGADMP C[N@@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458214 505496647 /nfs/dbraw/zinc/49/66/47/505496647.db2.gz WUOQSLLWERBZKT-UNMCSNQZSA-N 2 1 369.553 3.026 20 0 FGADMP C[N@H+]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458214 505496650 /nfs/dbraw/zinc/49/66/50/505496650.db2.gz WUOQSLLWERBZKT-UNMCSNQZSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458214 505496654 /nfs/dbraw/zinc/49/66/54/505496654.db2.gz WUOQSLLWERBZKT-UNMCSNQZSA-N 2 1 369.553 3.026 20 0 FGADMP C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1Cc1ccccc1 ZINC000552458214 505496657 /nfs/dbraw/zinc/49/66/57/505496657.db2.gz WUOQSLLWERBZKT-UNMCSNQZSA-N 2 1 369.553 3.026 20 0 FGADMP CN(C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000564716860 505501446 /nfs/dbraw/zinc/50/14/46/505501446.db2.gz LUBLHGWVCXEKRU-JKWVGCSGSA-N 2 1 366.509 3.106 20 0 FGADMP CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552686557 505535751 /nfs/dbraw/zinc/53/57/51/505535751.db2.gz BIMFEQHSQFHYAF-IEBWSBKVSA-N 2 1 369.912 3.463 20 0 FGADMP CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000552686557 505535755 /nfs/dbraw/zinc/53/57/55/505535755.db2.gz BIMFEQHSQFHYAF-IEBWSBKVSA-N 2 1 369.912 3.463 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000562241333 505549288 /nfs/dbraw/zinc/54/92/88/505549288.db2.gz OZRZYPQPIXBAQS-QUCCMNQESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000562241333 505549291 /nfs/dbraw/zinc/54/92/91/505549291.db2.gz OZRZYPQPIXBAQS-QUCCMNQESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000562241333 505549294 /nfs/dbraw/zinc/54/92/94/505549294.db2.gz OZRZYPQPIXBAQS-QUCCMNQESA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000562241331 505549697 /nfs/dbraw/zinc/54/96/97/505549697.db2.gz OZRZYPQPIXBAQS-AZUAARDMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000562241331 505549698 /nfs/dbraw/zinc/54/96/98/505549698.db2.gz OZRZYPQPIXBAQS-AZUAARDMSA-N 2 1 357.542 3.150 20 0 FGADMP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H](C)[C@H]2C)CC1 ZINC000562241331 505549700 /nfs/dbraw/zinc/54/97/00/505549700.db2.gz OZRZYPQPIXBAQS-AZUAARDMSA-N 2 1 357.542 3.150 20 0 FGADMP CC[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000567865545 505569158 /nfs/dbraw/zinc/56/91/58/505569158.db2.gz WNIRYGSVWJLRAX-KRWDZBQOSA-N 2 1 356.445 3.105 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000582753555 506398834 /nfs/dbraw/zinc/39/88/34/506398834.db2.gz IRIHMESBOVJRQO-IRLDBZIGSA-N 2 1 372.484 3.163 20 0 FGADMP COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000582753555 506398841 /nfs/dbraw/zinc/39/88/41/506398841.db2.gz IRIHMESBOVJRQO-IRLDBZIGSA-N 2 1 372.484 3.163 20 0 FGADMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1Cl ZINC000608058021 506401191 /nfs/dbraw/zinc/40/11/91/506401191.db2.gz HGQLOLBVAAXDLA-HXUWFJFHSA-N 2 1 360.885 3.075 20 0 FGADMP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1Cl ZINC000608058021 506401198 /nfs/dbraw/zinc/40/11/98/506401198.db2.gz HGQLOLBVAAXDLA-HXUWFJFHSA-N 2 1 360.885 3.075 20 0 FGADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)o1 ZINC000608165931 506447683 /nfs/dbraw/zinc/44/76/83/506447683.db2.gz SSYRWJCQZBBJGR-LJQANCHMSA-N 2 1 369.509 3.468 20 0 FGADMP Oc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000582860930 506459795 /nfs/dbraw/zinc/45/97/95/506459795.db2.gz NCSATCJNKBHPBR-UNMCSNQZSA-N 2 1 352.478 3.126 20 0 FGADMP O=C(Nc1c[nH+]ccc1-n1cccn1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599569251 506504832 /nfs/dbraw/zinc/50/48/32/506504832.db2.gz HWQUDGAUEICMOS-UHFFFAOYSA-N 2 1 361.449 3.118 20 0 FGADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(Cl)ccc1I ZINC000596652595 506511933 /nfs/dbraw/zinc/51/19/33/506511933.db2.gz VJINYSFSAIYDTI-DTWKUNHWSA-N 2 1 352.647 3.160 20 0 FGADMP C[C@H]1CC[N@@H+](CCNC(=O)c2ccccc2OCC[NH+]2CCCC[C@H]2C)C1 ZINC000608613740 506632801 /nfs/dbraw/zinc/63/28/01/506632801.db2.gz MHXUCFIMMORLQU-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@@H+]2CCCC[C@H]2C)C1 ZINC000608613740 506632806 /nfs/dbraw/zinc/63/28/06/506632806.db2.gz MHXUCFIMMORLQU-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP C[C@H]1CC[NH+](CCNC(=O)c2ccccc2OCC[N@H+]2CCCC[C@H]2C)C1 ZINC000608613740 506632808 /nfs/dbraw/zinc/63/28/08/506632808.db2.gz MHXUCFIMMORLQU-RBUKOAKNSA-N 2 1 373.541 3.011 20 0 FGADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000608618410 506634254 /nfs/dbraw/zinc/63/42/54/506634254.db2.gz YKIJSDKCIJOKRW-FQEVSTJZSA-N 2 1 372.557 3.167 20 0 FGADMP Cc1[nH+]cc2n1C[C@@H](C(=O)NC1CC[NH+]([C@H](C)c3ccccc3)CC1)CC2 ZINC000583208350 506651204 /nfs/dbraw/zinc/65/12/04/506651204.db2.gz YREQIFCYQKMENY-APWZRJJASA-N 2 1 366.509 3.096 20 0 FGADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C)c1ccccc1 ZINC000589992636 506698525 /nfs/dbraw/zinc/69/85/25/506698525.db2.gz GOCFLARBEGGXLF-NHCUHLMSSA-N 2 1 369.509 3.107 20 0 FGADMP CCC[N@H+]1CC[C@@H](CNC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C1 ZINC000604179910 506739496 /nfs/dbraw/zinc/73/94/96/506739496.db2.gz WNRQPIUSSRDSGZ-FPOVZHCZSA-N 2 1 372.557 3.245 20 0 FGADMP CCOC(=O)c1cccc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)n1 ZINC000600162227 506815244 /nfs/dbraw/zinc/81/52/44/506815244.db2.gz WHFMZESLZGUIIR-UHFFFAOYSA-N 2 1 355.482 3.342 20 0 FGADMP C[C@H](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3)[NH+]1CCCCC1 ZINC000613465920 507104845 /nfs/dbraw/zinc/10/48/45/507104845.db2.gz SHUVHIWPFCJCKH-MRXNPFEDSA-N 2 1 368.525 3.150 20 0 FGADMP C[C@H](CCNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3)[NH+]1CCCCC1 ZINC000613465920 507104849 /nfs/dbraw/zinc/10/48/49/507104849.db2.gz SHUVHIWPFCJCKH-MRXNPFEDSA-N 2 1 368.525 3.150 20 0 FGADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000591095054 507111337 /nfs/dbraw/zinc/11/13/37/507111337.db2.gz UPIWBJZPLVPWJN-LEWJYISDSA-N 2 1 373.541 3.213 20 0 FGADMP C[C@@H]1CCCC[N@H+]1CCOc1ccccc1C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613660075 507203569 /nfs/dbraw/zinc/20/35/69/507203569.db2.gz HGPDOLNEHNRDDH-MISYRCLQSA-N 2 1 373.541 3.152 20 0 FGADMP CC[N@@H+](CCNC(=O)c1ccccc1OCC[NH+]1CCCC[C@@H]1C)C1CC1 ZINC000591452518 507256321 /nfs/dbraw/zinc/25/63/21/507256321.db2.gz AJCUBNDPEXRPPP-SFHVURJKSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+](CCNC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C)C1CC1 ZINC000591452518 507256324 /nfs/dbraw/zinc/25/63/24/507256324.db2.gz AJCUBNDPEXRPPP-SFHVURJKSA-N 2 1 373.541 3.154 20 0 FGADMP CC[NH+](CCNC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1C)C1CC1 ZINC000591452518 507256331 /nfs/dbraw/zinc/25/63/31/507256331.db2.gz AJCUBNDPEXRPPP-SFHVURJKSA-N 2 1 373.541 3.154 20 0 FGADMP CC(C)[C@H](CNC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCC1 ZINC000591559491 507291628 /nfs/dbraw/zinc/29/16/28/507291628.db2.gz SFVADDXASBHTBI-OALUTQOASA-N 2 1 352.567 3.061 20 0 FGADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[NH+]1CCCCCC1 ZINC000606208948 507349349 /nfs/dbraw/zinc/34/93/49/507349349.db2.gz SQMWYWRRZGOIMN-QRVBRYPASA-N 2 1 373.541 3.499 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)[N@@H+](C)Cc1ccccc1 ZINC000584691740 507452424 /nfs/dbraw/zinc/45/24/24/507452424.db2.gz WDOLLBPXSBMECH-BHDDXSALSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691740 507452432 /nfs/dbraw/zinc/45/24/32/507452432.db2.gz WDOLLBPXSBMECH-BHDDXSALSA-N 2 1 365.521 3.459 20 0 FGADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](C)Cc1ccccc1 ZINC000584691740 507452441 /nfs/dbraw/zinc/45/24/41/507452441.db2.gz WDOLLBPXSBMECH-BHDDXSALSA-N 2 1 365.521 3.459 20 0 FGADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000606684341 507478350 /nfs/dbraw/zinc/47/83/50/507478350.db2.gz QVFXTFCSUJAHFQ-WOJBJXKFSA-N 2 1 364.578 3.301 20 0 FGADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000584865920 507547201 /nfs/dbraw/zinc/54/72/01/507547201.db2.gz LJAHUADIJKPDSH-HXUWFJFHSA-N 2 1 373.520 3.064 20 0 FGADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(F)c1 ZINC000607057459 507599096 /nfs/dbraw/zinc/59/90/96/507599096.db2.gz RHVDUMVTAFNIFF-HNNXBMFYSA-N 2 1 370.900 3.359 20 0 FGADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433647 507655962 /nfs/dbraw/zinc/65/59/62/507655962.db2.gz MZGAJXBIWFOHDG-HZPDHXFCSA-N 2 1 350.890 3.338 20 0 FGADMP CC(C)CCn1cccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000607366349 507705517 /nfs/dbraw/zinc/70/55/17/507705517.db2.gz JUZKNTADTYILLX-JOCHJYFZSA-N 2 1 355.526 3.261 20 0 FGADMP CC(C)CCn1cccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000607366349 507705526 /nfs/dbraw/zinc/70/55/26/507705526.db2.gz JUZKNTADTYILLX-JOCHJYFZSA-N 2 1 355.526 3.261 20 0 FGADMP COc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000614962526 507706854 /nfs/dbraw/zinc/70/68/54/507706854.db2.gz LFJZBVNEBXJYQW-VQTJNVASSA-N 2 1 359.558 3.473 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517994 507717204 /nfs/dbraw/zinc/71/72/04/507717204.db2.gz ZCGNAFMXHRELTD-YJBOKZPZSA-N 2 1 356.466 3.375 20 0 FGADMP COC(=O)c1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)o1 ZINC000611517994 507717208 /nfs/dbraw/zinc/71/72/08/507717208.db2.gz ZCGNAFMXHRELTD-YJBOKZPZSA-N 2 1 356.466 3.375 20 0 FGADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000607391350 507719223 /nfs/dbraw/zinc/71/92/23/507719223.db2.gz ZTQZUNJRFXKRRP-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000607391350 507719225 /nfs/dbraw/zinc/71/92/25/507719225.db2.gz ZTQZUNJRFXKRRP-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP C[NH+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000607391350 507719229 /nfs/dbraw/zinc/71/92/29/507719229.db2.gz ZTQZUNJRFXKRRP-UONOGXRCSA-N 2 1 361.313 3.007 20 0 FGADMP Cc1nc(NC[C@H]2CC[N@H+](C(C)C)C2)cc(NC[C@@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101232 562498421 /nfs/dbraw/zinc/49/84/21/562498421.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@H]2CC[NH+](C(C)C)C2)cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000533101232 562498422 /nfs/dbraw/zinc/49/84/22/562498422.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@H]2CC[NH+](C(C)C)C2)cc(NC[C@@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000533101232 562498423 /nfs/dbraw/zinc/49/84/23/562498423.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[N@@H+](C(C)C)C2)cc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101232 562498424 /nfs/dbraw/zinc/49/84/24/562498424.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[N@H+](C(C)C)C2)cc(NC[C@H]2CC[NH+](C(C)C)C2)[nH+]1 ZINC000533101232 562498425 /nfs/dbraw/zinc/49/84/25/562498425.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)cc(NC[C@H]2CC[N@@H+](C(C)C)C2)[nH+]1 ZINC000533101232 562498426 /nfs/dbraw/zinc/49/84/26/562498426.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP Cc1nc(NC[C@@H]2CC[NH+](C(C)C)C2)cc(NC[C@H]2CC[N@H+](C(C)C)C2)[nH+]1 ZINC000533101232 562498427 /nfs/dbraw/zinc/49/84/27/562498427.db2.gz KTTODMAIWOBOQQ-KDURUIRLSA-N 3 1 374.577 3.069 20 0 FGADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669117752 568033361 /nfs/dbraw/zinc/03/33/61/568033361.db2.gz FHPGJABTWLDWIY-XLIONFOSSA-N 2 1 358.530 3.002 20 0 FGADMP CC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+]2CCCC[C@H]2C)CC[C@@H]1[NH3+] ZINC000669117816 568035331 /nfs/dbraw/zinc/03/53/31/568035331.db2.gz SSFUNVVIOOXMPZ-OPYAIIAOSA-N 2 1 372.557 3.330 20 0 FGADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820703023 606914817 /nfs/dbraw/zinc/91/48/17/606914817.db2.gz CIRPNVGFNYWSFB-KRWDZBQOSA-N 2 1 368.529 3.343 20 0 FGADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C1 ZINC000824945771 608501674 /nfs/dbraw/zinc/50/16/74/608501674.db2.gz FLMDKWZZLDJQHP-OXJNMPFZSA-N 2 1 368.529 3.346 20 0 FGADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1)CC1CC1 ZINC000825419052 608882190 /nfs/dbraw/zinc/88/21/90/608882190.db2.gz FIHQWSLAVJIHJN-UHFFFAOYSA-N 2 1 374.558 3.262 20 0 FGADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824948693 609133336 /nfs/dbraw/zinc/13/33/36/609133336.db2.gz UYJGLIFVQCKIIZ-LSDHHAIUSA-N 2 1 360.481 3.169 20 0 FGADMP